NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
17590 | 2cqu | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 H GLY 1 -17.490 -18.282 10.230 2 1HA GLY 1 1HA GLY 1 -16.210 -18.574 8.329 3 2HA GLY 1 2HA GLY 1 -17.676 -18.999 7.457 4 H SER 2 H SER 2 -15.319 -17.159 6.905 5 HA SER 2 HA SER 2 -16.789 -14.647 6.503 6 1HB SER 2 1HB SER 2 -14.541 -13.661 6.064 7 2HB SER 2 2HB SER 2 -14.682 -14.366 7.674 8 HG SER 2 HG SER 2 -13.614 -16.226 6.850 9 H SER 3 H SER 3 -17.013 -13.732 4.489 10 HA SER 3 HA SER 3 -15.758 -14.794 2.153 11 1HB SER 3 1HB SER 3 -18.615 -15.531 2.758 12 2HB SER 3 2HB SER 3 -18.022 -15.440 1.100 13 HG SER 3 HG SER 3 -17.681 -17.393 2.920 14 H GLY 4 H GLY 4 -16.953 -13.856 0.118 15 1HA GLY 4 1HA GLY 4 -17.006 -11.023 0.478 16 2HA GLY 4 2HA GLY 4 -17.314 -11.886 -1.022 17 H SER 5 H SER 5 -18.855 -9.880 -0.938 18 HA SER 5 HA SER 5 -21.435 -10.836 0.119 19 1HB SER 5 1HB SER 5 -20.726 -8.918 1.434 20 2HB SER 5 2HB SER 5 -20.436 -7.981 -0.031 21 HG SER 5 HG SER 5 -22.551 -7.776 1.205 22 H SER 6 H SER 6 -19.850 -8.829 -2.340 23 HA SER 6 HA SER 6 -22.225 -9.034 -4.039 24 1HB SER 6 1HB SER 6 -21.208 -6.804 -3.749 25 2HB SER 6 2HB SER 6 -19.697 -7.410 -4.426 26 HG SER 6 HG SER 6 -21.987 -6.623 -5.691 27 H GLY 7 H GLY 7 -18.715 -9.617 -4.191 28 1HA GLY 7 1HA GLY 7 -18.621 -12.058 -5.304 29 2HA GLY 7 2HA GLY 7 -18.993 -11.053 -6.697 30 H MET 8 H MET 8 -16.563 -12.125 -4.527 31 HA MET 8 HA MET 8 -14.602 -10.149 -5.190 32 1HB MET 8 1HB MET 8 -14.587 -12.753 -3.718 33 2HB MET 8 2HB MET 8 -13.058 -12.043 -4.218 34 1HG MET 8 1HG MET 8 -15.131 -10.739 -2.470 35 2HG MET 8 2HG MET 8 -13.604 -11.437 -1.935 36 1HE MET 8 1HE MET 8 -14.903 -8.498 -1.512 37 2HE MET 8 2HE MET 8 -14.136 -7.209 -2.440 38 3HE MET 8 3HE MET 8 -15.373 -8.220 -3.190 39 H ASN 9 H ASN 9 -13.982 -9.978 -7.258 40 HA ASN 9 HA ASN 9 -13.277 -12.450 -8.698 41 1HB ASN 9 1HB ASN 9 -13.861 -11.411 -10.744 42 2HB ASN 9 2HB ASN 9 -15.158 -10.996 -9.626 43 1HD2 ASN 9 1HD2 ASN 9 -15.574 -8.911 -9.205 44 2HD2 ASN 9 2HD2 ASN 9 -14.675 -7.582 -9.846 45 H ARG 10 H ARG 10 -11.387 -12.448 -9.992 46 HA ARG 10 HA ARG 10 -9.451 -10.335 -9.307 47 1HB ARG 10 1HB ARG 10 -9.095 -12.601 -8.193 48 2HB ARG 10 2HB ARG 10 -8.725 -13.220 -9.796 49 1HG ARG 10 1HG ARG 10 -6.964 -11.386 -9.922 50 2HG ARG 10 2HG ARG 10 -7.215 -11.192 -8.185 51 1HD ARG 10 1HD ARG 10 -6.561 -13.837 -9.462 52 2HD ARG 10 2HD ARG 10 -5.324 -12.722 -8.882 53 HE ARG 10 HE ARG 10 -6.948 -14.450 -7.301 54 1HH1 ARG 10 2HH1 ARG 10 -5.317 -11.374 -7.312 55 2HH1 ARG 10 1HH1 ARG 10 -5.128 -11.321 -5.591 56 1HH2 ARG 10 2HH2 ARG 10 -6.705 -14.391 -5.033 57 2HH2 ARG 10 1HH2 ARG 10 -5.917 -13.038 -4.296 58 H THR 11 H THR 11 -9.914 -13.026 -11.605 59 HA THR 11 HA THR 11 -9.637 -13.165 -13.861 60 HB THR 11 HB THR 11 -9.686 -10.146 -13.909 61 HG1 THR 11 1HG THR 11 -11.715 -10.284 -13.355 62 1HG2 THR 11 1HG2 THR 11 -9.278 -11.975 -15.935 63 2HG2 THR 11 2HG2 THR 11 -9.829 -10.312 -16.139 64 3HG2 THR 11 3HG2 THR 11 -11.002 -11.625 -16.046 65 H ALA 12 H ALA 12 -7.344 -13.291 -12.299 66 HA ALA 12 HA ALA 12 -5.070 -13.131 -12.366 67 1HB ALA 12 1HB ALA 12 -4.374 -12.740 -14.976 68 2HB ALA 12 2HB ALA 12 -4.749 -14.302 -14.247 69 3HB ALA 12 3HB ALA 12 -5.996 -13.416 -15.125 70 H MET 13 H MET 13 -6.453 -10.684 -11.832 71 HA MET 13 HA MET 13 -4.911 -8.645 -13.245 72 1HB MET 13 1HB MET 13 -7.443 -8.510 -12.700 73 2HB MET 13 2HB MET 13 -6.914 -8.091 -11.077 74 1HG MET 13 1HG MET 13 -5.918 -6.603 -13.476 75 2HG MET 13 2HG MET 13 -7.450 -6.198 -12.706 76 1HE MET 13 1HE MET 13 -5.426 -3.266 -11.322 77 2HE MET 13 2HE MET 13 -5.085 -3.943 -12.914 78 3HE MET 13 3HE MET 13 -6.750 -3.828 -12.343 79 H ARG 14 H ARG 14 -3.126 -7.773 -12.425 80 HA ARG 14 HA ARG 14 -2.678 -7.939 -9.521 81 1HB ARG 14 1HB ARG 14 -0.642 -8.452 -11.696 82 2HB ARG 14 2HB ARG 14 -0.276 -8.346 -9.980 83 1HG ARG 14 1HG ARG 14 -0.408 -10.610 -10.254 84 2HG ARG 14 2HG ARG 14 -2.071 -10.241 -9.790 85 1HD ARG 14 1HD ARG 14 -2.341 -11.628 -11.630 86 2HD ARG 14 2HD ARG 14 -2.484 -10.015 -12.328 87 HE ARG 14 HE ARG 14 -0.535 -10.372 -13.488 88 1HH1 ARG 14 2HH1 ARG 14 -0.914 -12.836 -11.058 89 2HH1 ARG 14 1HH1 ARG 14 0.396 -13.804 -11.650 90 1HH2 ARG 14 2HH2 ARG 14 1.191 -11.637 -14.276 91 2HH2 ARG 14 1HH2 ARG 14 1.593 -13.121 -13.480 92 H ALA 15 H ALA 15 -1.463 -6.256 -8.599 93 HA ALA 15 HA ALA 15 -1.545 -3.781 -10.144 94 1HB ALA 15 1HB ALA 15 -0.797 -2.958 -7.707 95 2HB ALA 15 2HB ALA 15 -2.480 -3.232 -8.160 96 3HB ALA 15 3HB ALA 15 -1.592 -4.472 -7.273 97 H SER 16 H SER 16 0.213 -3.133 -11.182 98 HA SER 16 HA SER 16 2.823 -4.170 -10.452 99 1HB SER 16 1HB SER 16 1.844 -3.814 -12.859 100 2HB SER 16 2HB SER 16 2.393 -2.154 -12.631 101 HG SER 16 HG SER 16 4.216 -4.126 -11.966 102 H GLN 17 H GLN 17 4.700 -2.600 -10.484 103 HA GLN 17 HA GLN 17 4.586 -0.871 -8.348 104 1HB GLN 17 1HB GLN 17 6.681 -1.706 -9.328 105 2HB GLN 17 2HB GLN 17 6.430 -0.682 -10.736 106 1HG GLN 17 1HG GLN 17 8.013 0.395 -9.343 107 2HG GLN 17 2HG GLN 17 6.502 1.294 -9.217 108 1HE2 GLN 17 1HE2 GLN 17 5.107 0.698 -7.354 109 2HE2 GLN 17 2HE2 GLN 17 5.884 0.342 -5.853 110 H LYS 18 H LYS 18 4.017 -0.181 -11.757 111 HA LYS 18 HA LYS 18 3.938 2.602 -11.651 112 1HB LYS 18 1HB LYS 18 3.823 1.044 -13.691 113 2HB LYS 18 2HB LYS 18 2.093 0.967 -13.381 114 1HG LYS 18 1HG LYS 18 2.142 2.668 -14.888 115 2HG LYS 18 2HG LYS 18 2.321 3.593 -13.396 116 1HD LYS 18 1HD LYS 18 4.577 3.979 -13.754 117 2HD LYS 18 2HD LYS 18 4.745 2.594 -14.836 118 1HE LYS 18 1HE LYS 18 4.856 4.474 -16.236 119 2HE LYS 18 2HE LYS 18 3.215 3.861 -16.429 120 1HZ LYS 18 1HZ LYS 18 3.620 6.378 -16.051 121 2HZ LYS 18 2HZ LYS 18 3.751 5.941 -14.422 122 3HZ LYS 18 3HZ LYS 18 2.326 5.614 -15.273 123 H ASP 19 H ASP 19 1.217 0.312 -11.393 124 HA ASP 19 HA ASP 19 -0.823 2.114 -10.942 125 1HB ASP 19 1HB ASP 19 -0.774 -0.532 -11.114 126 2HB ASP 19 2HB ASP 19 -0.808 -0.416 -9.357 127 H PHE 20 H PHE 20 1.426 0.705 -8.599 128 HA PHE 20 HA PHE 20 0.256 1.807 -6.289 129 1HB PHE 20 1HB PHE 20 1.950 -0.036 -6.323 130 2HB PHE 20 2HB PHE 20 3.180 1.162 -6.713 131 HD1 PHE 20 1HD PHE 20 3.563 3.054 -5.062 132 HD2 PHE 20 2HD PHE 20 1.350 -0.455 -4.113 133 HE1 PHE 20 1HE PHE 20 3.890 3.501 -2.664 134 HE2 PHE 20 2HE PHE 20 1.672 -0.014 -1.714 135 HZ PHE 20 HZ PHE 20 2.943 1.966 -0.987 136 H GLU 21 H GLU 21 3.182 2.881 -8.030 137 HA GLU 21 HA GLU 21 3.753 5.176 -6.691 138 1HB GLU 21 1HB GLU 21 4.006 4.402 -9.563 139 2HB GLU 21 2HB GLU 21 4.342 6.068 -9.113 140 1HG GLU 21 1HG GLU 21 6.077 5.383 -7.616 141 2HG GLU 21 2HG GLU 21 5.664 3.684 -7.843 142 H ASN 22 H ASN 22 1.150 4.668 -8.985 143 HA ASN 22 HA ASN 22 0.417 7.441 -9.127 144 1HB ASN 22 1HB ASN 22 -0.905 4.893 -10.054 145 2HB ASN 22 2HB ASN 22 -1.681 6.465 -10.221 146 1HD2 ASN 22 1HD2 ASN 22 0.242 4.236 -11.711 147 2HD2 ASN 22 2HD2 ASN 22 0.951 5.242 -12.924 148 H SER 23 H SER 23 -0.902 4.562 -7.519 149 HA SER 23 HA SER 23 -3.131 5.731 -6.337 150 1HB SER 23 1HB SER 23 -1.378 3.443 -5.435 151 2HB SER 23 2HB SER 23 -2.856 3.901 -4.589 152 HG SER 23 HG SER 23 -2.526 2.750 -7.116 153 H MET 24 H MET 24 0.082 5.217 -4.873 154 HA MET 24 HA MET 24 -0.359 6.481 -2.457 155 1HB MET 24 1HB MET 24 2.118 6.923 -2.461 156 2HB MET 24 2HB MET 24 1.662 5.254 -2.779 157 1HG MET 24 1HG MET 24 2.379 5.319 -4.935 158 2HG MET 24 2HG MET 24 2.055 7.042 -5.108 159 1HE MET 24 1HE MET 24 5.215 8.582 -5.097 160 2HE MET 24 2HE MET 24 4.951 7.336 -6.316 161 3HE MET 24 3HE MET 24 3.597 8.312 -5.746 162 H ASN 25 H ASN 25 0.340 7.876 -5.598 163 HA ASN 25 HA ASN 25 0.874 10.509 -4.674 164 1HB ASN 25 1HB ASN 25 1.512 9.546 -6.930 165 2HB ASN 25 2HB ASN 25 -0.172 9.751 -7.404 166 1HD2 ASN 25 1HD2 ASN 25 0.391 11.205 -9.022 167 2HD2 ASN 25 2HD2 ASN 25 0.875 12.825 -8.669 168 H GLN 26 H GLN 26 -2.024 8.963 -6.033 169 HA GLN 26 HA GLN 26 -3.715 11.164 -6.031 170 1HB GLN 26 1HB GLN 26 -4.276 8.228 -5.645 171 2HB GLN 26 2HB GLN 26 -5.559 9.427 -5.745 172 1HG GLN 26 1HG GLN 26 -4.880 10.037 -7.972 173 2HG GLN 26 2HG GLN 26 -3.487 8.961 -7.876 174 1HE2 GLN 26 1HE2 GLN 26 -6.922 9.180 -8.271 175 2HE2 GLN 26 2HE2 GLN 26 -7.179 7.545 -8.763 176 H VAL 27 H VAL 27 -2.708 9.095 -3.398 177 HA VAL 27 HA VAL 27 -4.671 9.910 -1.521 178 HB VAL 27 HB VAL 27 -1.912 8.761 -1.095 179 1HG1 VAL 27 1HG1 VAL 27 -4.105 9.423 0.842 180 2HG1 VAL 27 2HG1 VAL 27 -2.921 8.160 1.183 181 3HG1 VAL 27 3HG1 VAL 27 -2.390 9.823 0.932 182 1HG2 VAL 27 1HG2 VAL 27 -3.989 6.997 -0.340 183 2HG2 VAL 27 2HG2 VAL 27 -4.386 7.624 -1.940 184 3HG2 VAL 27 3HG2 VAL 27 -2.838 6.825 -1.665 185 H LYS 28 H LYS 28 -2.039 11.534 -2.867 186 HA LYS 28 HA LYS 28 -1.829 13.367 -0.579 187 1HB LYS 28 1HB LYS 28 -0.021 13.137 -2.991 188 2HB LYS 28 2HB LYS 28 0.246 14.158 -1.585 189 1HG LYS 28 1HG LYS 28 0.380 12.120 -0.186 190 2HG LYS 28 2HG LYS 28 0.242 11.148 -1.653 191 1HD LYS 28 1HD LYS 28 2.277 12.302 -2.522 192 2HD LYS 28 2HD LYS 28 2.443 13.089 -0.950 193 1HE LYS 28 1HE LYS 28 2.197 10.119 -1.074 194 2HE LYS 28 2HE LYS 28 3.736 10.869 -1.493 195 1HZ LYS 28 1HZ LYS 28 2.913 10.244 1.014 196 2HZ LYS 28 2HZ LYS 28 2.603 11.904 0.930 197 3HZ LYS 28 3HZ LYS 28 4.162 11.319 0.632 198 H LEU 29 H LEU 29 -2.874 13.095 -3.864 199 HA LEU 29 HA LEU 29 -3.002 15.915 -4.379 200 1HB LEU 29 1HB LEU 29 -4.030 13.472 -5.777 201 2HB LEU 29 2HB LEU 29 -4.503 15.086 -6.303 202 HG LEU 29 HG LEU 29 -2.754 14.660 -7.720 203 1HD1 LEU 29 1HD1 LEU 29 -2.349 16.663 -6.150 204 2HD1 LEU 29 2HD1 LEU 29 -1.018 16.093 -7.155 205 3HD1 LEU 29 3HD1 LEU 29 -1.081 15.659 -5.447 206 1HD2 LEU 29 1HD2 LEU 29 -0.973 13.472 -5.642 207 2HD2 LEU 29 2HD2 LEU 29 -1.009 13.199 -7.384 208 3HD2 LEU 29 3HD2 LEU 29 -2.254 12.491 -6.354 209 H LEU 30 H LEU 30 -4.941 13.681 -2.698 210 HA LEU 30 HA LEU 30 -7.470 14.950 -3.098 211 1HB LEU 30 1HB LEU 30 -8.244 13.535 -1.276 212 2HB LEU 30 2HB LEU 30 -7.315 12.612 -2.456 213 HG LEU 30 HG LEU 30 -5.343 12.936 -0.817 214 1HD1 LEU 30 1HD1 LEU 30 -7.302 14.388 0.551 215 2HD1 LEU 30 2HD1 LEU 30 -5.703 13.928 1.133 216 3HD1 LEU 30 3HD1 LEU 30 -7.092 12.892 1.462 217 1HD2 LEU 30 1HD2 LEU 30 -5.952 10.923 0.367 218 2HD2 LEU 30 2HD2 LEU 30 -6.491 10.805 -1.308 219 3HD2 LEU 30 3HD2 LEU 30 -7.653 11.164 -0.030 220 H LYS 31 H LYS 31 -8.403 16.579 -2.006 221 HA LYS 31 HA LYS 31 -6.801 17.898 0.066 222 1HB LYS 31 1HB LYS 31 -8.873 18.825 -1.880 223 2HB LYS 31 2HB LYS 31 -8.646 19.729 -0.388 224 1HG LYS 31 1HG LYS 31 -7.278 20.816 -1.919 225 2HG LYS 31 2HG LYS 31 -6.165 19.782 -1.021 226 1HD LYS 31 1HD LYS 31 -5.993 18.245 -2.788 227 2HD LYS 31 2HD LYS 31 -7.429 18.882 -3.593 228 1HE LYS 31 1HE LYS 31 -4.837 20.383 -3.235 229 2HE LYS 31 2HE LYS 31 -5.315 19.533 -4.704 230 1HZ LYS 31 1HZ LYS 31 -6.050 22.126 -3.820 231 2HZ LYS 31 2HZ LYS 31 -7.430 21.180 -4.068 232 3HZ LYS 31 3HZ LYS 31 -6.317 21.395 -5.323 233 H LYS 32 H LYS 32 -9.010 15.605 0.072 234 HA LYS 32 HA LYS 32 -10.762 16.721 2.124 235 1HB LYS 32 1HB LYS 32 -10.800 14.262 0.425 236 2HB LYS 32 2HB LYS 32 -11.694 14.261 1.939 237 1HG LYS 32 1HG LYS 32 -12.613 16.547 0.968 238 2HG LYS 32 2HG LYS 32 -12.192 15.772 -0.561 239 1HD LYS 32 1HD LYS 32 -13.776 14.141 -0.328 240 2HD LYS 32 2HD LYS 32 -13.708 14.176 1.436 241 1HE LYS 32 1HE LYS 32 -14.755 16.561 -0.009 242 2HE LYS 32 2HE LYS 32 -15.782 15.135 0.123 243 1HZ LYS 32 1HZ LYS 32 -14.886 16.977 2.196 244 2HZ LYS 32 2HZ LYS 32 -14.999 15.346 2.630 245 3HZ LYS 32 3HZ LYS 32 -16.359 16.159 2.037 246 H ASP 33 H ASP 33 -11.124 15.538 4.128 247 HA ASP 33 HA ASP 33 -8.679 14.176 5.052 248 1HB ASP 33 1HB ASP 33 -9.505 15.000 7.363 249 2HB ASP 33 2HB ASP 33 -8.748 16.164 6.279 250 HA PRO 34 HA PRO 34 -11.877 10.937 5.325 251 1HB PRO 34 1HB PRO 34 -10.108 8.889 5.111 252 2HB PRO 34 2HB PRO 34 -10.747 9.757 3.710 253 1HG PRO 34 1HG PRO 34 -8.124 10.094 5.113 254 2HG PRO 34 2HG PRO 34 -8.467 10.066 3.373 255 1HD PRO 34 1HD PRO 34 -8.081 12.368 4.744 256 2HD PRO 34 2HD PRO 34 -9.173 12.260 3.349 257 H GLY 35 H GLY 35 -8.813 11.276 7.043 258 1HA GLY 35 1HA GLY 35 -9.154 11.353 9.534 259 2HA GLY 35 2HA GLY 35 -10.010 9.832 9.327 260 H ASN 36 H ASN 36 -7.646 10.434 10.946 261 HA ASN 36 HA ASN 36 -5.275 9.517 9.804 262 1HB ASN 36 1HB ASN 36 -6.341 9.715 12.578 263 2HB ASN 36 2HB ASN 36 -4.918 8.709 12.326 264 1HD2 ASN 36 1HD2 ASN 36 -3.083 9.718 12.632 265 2HD2 ASN 36 2HD2 ASN 36 -2.781 11.398 12.364 266 H GLU 37 H GLU 37 -8.137 7.833 10.376 267 HA GLU 37 HA GLU 37 -7.196 5.272 11.047 268 1HB GLU 37 1HB GLU 37 -9.348 4.543 10.703 269 2HB GLU 37 2HB GLU 37 -9.629 6.265 10.917 270 1HG GLU 37 1HG GLU 37 -9.774 6.583 8.533 271 2HG GLU 37 2HG GLU 37 -9.361 4.893 8.253 272 H VAL 38 H VAL 38 -7.871 6.753 7.891 273 HA VAL 38 HA VAL 38 -6.959 4.432 6.448 274 HB VAL 38 HB VAL 38 -8.658 5.655 5.355 275 1HG1 VAL 38 1HG1 VAL 38 -8.585 7.753 6.448 276 2HG1 VAL 38 2HG1 VAL 38 -6.953 8.082 5.863 277 3HG1 VAL 38 3HG1 VAL 38 -8.311 8.079 4.737 278 1HG2 VAL 38 1HG2 VAL 38 -7.697 6.163 3.236 279 2HG2 VAL 38 2HG2 VAL 38 -6.128 6.513 3.962 280 3HG2 VAL 38 3HG2 VAL 38 -6.741 4.860 3.942 281 H LYS 39 H LYS 39 -5.703 7.643 7.218 282 HA LYS 39 HA LYS 39 -3.465 7.756 5.631 283 1HB LYS 39 1HB LYS 39 -4.110 8.797 8.351 284 2HB LYS 39 2HB LYS 39 -2.448 8.916 7.788 285 1HG LYS 39 1HG LYS 39 -3.247 10.921 7.075 286 2HG LYS 39 2HG LYS 39 -3.602 9.938 5.653 287 1HD LYS 39 1HD LYS 39 -5.869 9.859 6.113 288 2HD LYS 39 2HD LYS 39 -5.636 10.195 7.830 289 1HE LYS 39 1HE LYS 39 -6.626 12.093 6.585 290 2HE LYS 39 2HE LYS 39 -5.093 12.491 7.359 291 1HZ LYS 39 1HZ LYS 39 -4.144 12.908 5.402 292 2HZ LYS 39 2HZ LYS 39 -5.709 12.944 4.760 293 3HZ LYS 39 3HZ LYS 39 -4.791 11.526 4.671 294 H LEU 40 H LEU 40 -4.089 5.643 8.284 295 HA LEU 40 HA LEU 40 -1.293 4.896 8.584 296 1HB LEU 40 1HB LEU 40 -3.820 3.988 9.941 297 2HB LEU 40 2HB LEU 40 -2.246 3.259 10.251 298 HG LEU 40 HG LEU 40 -2.697 6.199 10.646 299 1HD1 LEU 40 1HD1 LEU 40 -4.309 5.542 12.111 300 2HD1 LEU 40 2HD1 LEU 40 -2.892 5.341 13.141 301 3HD1 LEU 40 3HD1 LEU 40 -3.608 3.941 12.343 302 1HD2 LEU 40 1HD2 LEU 40 -0.397 5.122 10.585 303 2HD2 LEU 40 2HD2 LEU 40 -0.846 4.322 12.091 304 3HD2 LEU 40 3HD2 LEU 40 -0.784 6.084 12.012 305 H LYS 41 H LYS 41 -4.344 3.443 7.507 306 HA LYS 41 HA LYS 41 -3.405 0.889 6.915 307 1HB LYS 41 1HB LYS 41 -5.435 0.533 5.924 308 2HB LYS 41 2HB LYS 41 -5.819 1.995 6.823 309 1HG LYS 41 1HG LYS 41 -5.238 3.286 4.735 310 2HG LYS 41 2HG LYS 41 -5.202 1.734 3.895 311 1HD LYS 41 1HD LYS 41 -7.561 2.817 5.435 312 2HD LYS 41 2HD LYS 41 -7.375 2.893 3.681 313 1HE LYS 41 1HE LYS 41 -7.466 0.528 3.486 314 2HE LYS 41 2HE LYS 41 -7.315 0.312 5.229 315 1HZ LYS 41 1HZ LYS 41 -9.654 0.874 3.641 316 2HZ LYS 41 2HZ LYS 41 -9.522 1.841 5.022 317 3HZ LYS 41 3HZ LYS 41 -9.530 0.155 5.167 318 H LEU 42 H LEU 42 -3.061 3.885 5.174 319 HA LEU 42 HA LEU 42 -2.212 2.671 2.714 320 1HB LEU 42 1HB LEU 42 -2.454 5.426 3.783 321 2HB LEU 42 2HB LEU 42 -1.323 5.170 2.456 322 HG LEU 42 HG LEU 42 -3.410 5.926 1.557 323 1HD1 LEU 42 1HD1 LEU 42 -3.748 4.304 -0.079 324 2HD1 LEU 42 2HD1 LEU 42 -3.423 2.975 1.034 325 3HD1 LEU 42 3HD1 LEU 42 -2.101 4.000 0.475 326 1HD2 LEU 42 1HD2 LEU 42 -4.731 5.100 3.575 327 2HD2 LEU 42 2HD2 LEU 42 -4.794 3.541 2.752 328 3HD2 LEU 42 3HD2 LEU 42 -5.507 4.968 1.997 329 H TYR 43 H TYR 43 -0.687 3.778 5.639 330 HA TYR 43 HA TYR 43 1.978 3.720 4.517 331 1HB TYR 43 1HB TYR 43 1.996 5.278 6.183 332 2HB TYR 43 2HB TYR 43 0.763 4.445 7.123 333 HD1 TYR 43 1HD TYR 43 4.339 4.797 6.493 334 HD2 TYR 43 2HD TYR 43 1.381 2.646 8.667 335 HE1 TYR 43 1HE TYR 43 6.082 3.931 7.997 336 HE2 TYR 43 2HE TYR 43 3.116 1.775 10.177 337 HH TYR 43 HH TYR 43 5.316 1.595 10.545 338 H ALA 44 H ALA 44 -0.121 1.621 6.352 339 HA ALA 44 HA ALA 44 1.749 -0.198 7.353 340 1HB ALA 44 1HB ALA 44 -1.148 -0.398 6.641 341 2HB ALA 44 2HB ALA 44 -0.251 -1.835 7.136 342 3HB ALA 44 3HB ALA 44 -0.376 -0.455 8.226 343 H LEU 45 H LEU 45 0.062 -0.125 4.235 344 HA LEU 45 HA LEU 45 1.222 -2.557 3.293 345 1HB LEU 45 1HB LEU 45 -0.289 -0.318 1.990 346 2HB LEU 45 2HB LEU 45 0.413 -1.624 1.039 347 HG LEU 45 HG LEU 45 -1.786 -2.295 1.303 348 1HD1 LEU 45 1HD1 LEU 45 -0.052 -3.966 2.118 349 2HD1 LEU 45 2HD1 LEU 45 -1.724 -4.250 2.601 350 3HD1 LEU 45 3HD1 LEU 45 -0.581 -3.554 3.749 351 1HD2 LEU 45 1HD2 LEU 45 -3.025 -2.147 3.425 352 2HD2 LEU 45 2HD2 LEU 45 -2.494 -0.568 2.845 353 3HD2 LEU 45 3HD2 LEU 45 -1.633 -1.359 4.166 354 H TYR 46 H TYR 46 1.858 0.882 2.664 355 HA TYR 46 HA TYR 46 3.789 0.772 0.756 356 1HB TYR 46 1HB TYR 46 3.120 2.908 1.534 357 2HB TYR 46 2HB TYR 46 3.590 2.539 3.190 358 HD1 TYR 46 1HD TYR 46 5.002 3.038 -0.219 359 HD2 TYR 46 2HD TYR 46 5.696 3.166 3.976 360 HE1 TYR 46 1HE TYR 46 7.198 4.070 -0.621 361 HE2 TYR 46 2HE TYR 46 7.893 4.201 3.587 362 HH TYR 46 HH TYR 46 9.496 4.563 1.967 363 H LYS 47 H LYS 47 4.451 0.613 4.258 364 HA LYS 47 HA LYS 47 7.191 -0.023 3.950 365 1HB LYS 47 1HB LYS 47 5.340 -0.478 6.298 366 2HB LYS 47 2HB LYS 47 7.092 -0.622 6.354 367 1HG LYS 47 1HG LYS 47 5.698 1.914 5.550 368 2HG LYS 47 2HG LYS 47 6.112 1.533 7.223 369 1HD LYS 47 1HD LYS 47 8.233 1.333 5.139 370 2HD LYS 47 2HD LYS 47 7.742 2.933 5.700 371 1HE LYS 47 1HE LYS 47 8.221 2.278 8.002 372 2HE LYS 47 2HE LYS 47 8.681 0.666 7.456 373 1HZ LYS 47 1HZ LYS 47 10.557 2.253 7.868 374 2HZ LYS 47 2HZ LYS 47 10.037 3.127 6.516 375 3HZ LYS 47 3HZ LYS 47 10.555 1.526 6.340 376 H GLN 48 H GLN 48 4.350 -1.887 3.650 377 HA GLN 48 HA GLN 48 5.600 -4.420 4.265 378 1HB GLN 48 1HB GLN 48 3.121 -3.813 4.587 379 2HB GLN 48 2HB GLN 48 2.969 -4.060 2.852 380 1HG GLN 48 1HG GLN 48 2.388 -6.125 3.599 381 2HG GLN 48 2HG GLN 48 4.126 -6.350 3.406 382 1HE2 GLN 48 1HE2 GLN 48 3.830 -8.102 4.923 383 2HE2 GLN 48 2HE2 GLN 48 3.806 -7.764 6.617 384 H ALA 49 H ALA 49 4.900 -2.482 1.450 385 HA ALA 49 HA ALA 49 5.754 -4.635 -0.339 386 1HB ALA 49 1HB ALA 49 5.202 -2.537 -1.977 387 2HB ALA 49 2HB ALA 49 4.032 -3.761 -1.482 388 3HB ALA 49 3HB ALA 49 4.114 -2.222 -0.625 389 H THR 50 H THR 50 7.336 -2.592 1.508 390 HA THR 50 HA THR 50 9.423 -2.083 -0.508 391 HB THR 50 HB THR 50 10.064 -0.056 0.838 392 HG1 THR 50 1HG THR 50 7.584 -0.674 2.086 393 1HG2 THR 50 1HG2 THR 50 7.254 0.197 -0.202 394 2HG2 THR 50 2HG2 THR 50 8.623 -0.077 -1.280 395 3HG2 THR 50 3HG2 THR 50 8.566 1.372 -0.276 396 H GLU 51 H GLU 51 8.673 -2.661 2.899 397 HA GLU 51 HA GLU 51 11.452 -3.547 3.302 398 1HB GLU 51 1HB GLU 51 9.482 -2.860 5.479 399 2HB GLU 51 2HB GLU 51 11.224 -3.051 5.619 400 1HG GLU 51 1HG GLU 51 10.031 -0.910 3.901 401 2HG GLU 51 2HG GLU 51 10.250 -0.685 5.636 402 H GLY 52 H GLY 52 8.063 -4.384 3.801 403 1HA GLY 52 1HA GLY 52 7.482 -6.739 3.393 404 2HA GLY 52 2HA GLY 52 8.924 -7.167 4.301 405 HA PRO 53 HA PRO 53 5.563 -7.639 7.330 406 1HB PRO 53 1HB PRO 53 6.875 -9.505 8.801 407 2HB PRO 53 2HB PRO 53 5.964 -9.901 7.340 408 1HG PRO 53 1HG PRO 53 8.912 -9.510 7.687 409 2HG PRO 53 2HG PRO 53 8.049 -10.752 6.761 410 1HD PRO 53 1HD PRO 53 9.157 -8.574 5.595 411 2HD PRO 53 2HD PRO 53 7.685 -9.345 4.972 412 H CYS 54 H CYS 54 5.333 -6.594 9.232 413 HA CYS 54 HA CYS 54 7.103 -4.708 10.139 414 1HB CYS 54 1HB CYS 54 4.859 -4.595 10.903 415 2HB CYS 54 2HB CYS 54 4.933 -6.211 11.595 416 HG CYS 54 HG CYS 54 6.431 -5.561 13.772 417 H ASN 55 H ASN 55 9.176 -5.113 10.610 418 HA ASN 55 HA ASN 55 9.745 -7.242 12.567 419 1HB ASN 55 1HB ASN 55 11.712 -7.814 11.466 420 2HB ASN 55 2HB ASN 55 10.632 -7.456 10.122 421 1HD2 ASN 55 1HD2 ASN 55 10.688 -5.111 9.415 422 2HD2 ASN 55 2HD2 ASN 55 12.252 -4.385 9.299 423 H MET 56 H MET 56 9.189 -4.231 12.728 424 HA MET 56 HA MET 56 11.694 -3.297 13.905 425 1HB MET 56 1HB MET 56 10.323 -1.145 14.186 426 2HB MET 56 2HB MET 56 10.750 -1.632 12.551 427 1HG MET 56 1HG MET 56 8.552 -2.465 12.148 428 2HG MET 56 2HG MET 56 8.104 -2.244 13.838 429 1HE MET 56 1HE MET 56 7.789 1.336 14.457 430 2HE MET 56 2HE MET 56 8.794 -0.035 14.928 431 3HE MET 56 3HE MET 56 9.479 1.269 13.957 432 HA PRO 57 HA PRO 57 10.513 -3.946 18.081 433 1HB PRO 57 1HB PRO 57 11.601 -1.779 19.302 434 2HB PRO 57 2HB PRO 57 12.572 -3.117 18.676 435 1HG PRO 57 1HG PRO 57 12.001 -0.451 17.440 436 2HG PRO 57 2HG PRO 57 13.531 -1.344 17.517 437 1HD PRO 57 1HD PRO 57 11.974 -1.312 15.302 438 2HD PRO 57 2HD PRO 57 12.967 -2.713 15.751 439 H LYS 58 H LYS 58 8.756 -3.603 19.310 440 HA LYS 58 HA LYS 58 6.748 -1.803 18.546 441 1HB LYS 58 1HB LYS 58 6.474 -3.947 19.866 442 2HB LYS 58 2HB LYS 58 7.024 -3.055 21.279 443 1HG LYS 58 1HG LYS 58 5.113 -1.762 21.371 444 2HG LYS 58 2HG LYS 58 4.722 -2.036 19.672 445 1HD LYS 58 1HD LYS 58 4.013 -4.263 20.108 446 2HD LYS 58 2HD LYS 58 4.668 -4.219 21.747 447 1HE LYS 58 1HE LYS 58 2.548 -2.283 20.896 448 2HE LYS 58 2HE LYS 58 2.119 -3.920 21.390 449 1HZ LYS 58 1HZ LYS 58 3.914 -2.502 23.174 450 2HZ LYS 58 2HZ LYS 58 2.587 -3.489 23.531 451 3HZ LYS 58 3HZ LYS 58 2.345 -1.876 23.081 452 HA PRO 59 HA PRO 59 8.303 1.929 20.383 453 1HB PRO 59 1HB PRO 59 6.104 3.446 19.899 454 2HB PRO 59 2HB PRO 59 7.274 3.023 18.644 455 1HG PRO 59 1HG PRO 59 4.621 1.778 19.257 456 2HG PRO 59 2HG PRO 59 5.329 2.185 17.683 457 1HD PRO 59 1HD PRO 59 5.341 -0.333 18.678 458 2HD PRO 59 2HD PRO 59 6.640 0.290 17.640 459 H GLY 60 H GLY 60 7.612 3.487 22.065 460 1HA GLY 60 1HA GLY 60 6.316 2.066 24.239 461 2HA GLY 60 2HA GLY 60 7.148 3.610 24.349 462 H VAL 61 H VAL 61 4.523 2.767 25.397 463 HA VAL 61 HA VAL 61 2.307 3.612 24.081 464 HB VAL 61 HB VAL 61 1.455 4.468 26.311 465 1HG1 VAL 61 1HG1 VAL 61 2.436 1.867 27.078 466 2HG1 VAL 61 2HG1 VAL 61 0.801 2.368 26.643 467 3HG1 VAL 61 3HG1 VAL 61 1.939 1.882 25.386 468 1HG2 VAL 61 1HG2 VAL 61 4.294 3.867 27.014 469 2HG2 VAL 61 2HG2 VAL 61 3.282 5.227 27.499 470 3HG2 VAL 61 3HG2 VAL 61 3.028 3.638 28.220 471 H PHE 62 H PHE 62 4.442 5.749 25.976 472 HA PHE 62 HA PHE 62 3.208 8.156 25.583 473 1HB PHE 62 1HB PHE 62 6.160 7.523 25.659 474 2HB PHE 62 2HB PHE 62 5.526 9.165 25.688 475 HD1 PHE 62 1HD PHE 62 6.001 6.089 27.570 476 HD2 PHE 62 2HD PHE 62 4.290 9.987 27.624 477 HE1 PHE 62 1HE PHE 62 5.748 5.941 30.013 478 HE2 PHE 62 2HE PHE 62 4.036 9.845 30.067 479 HZ PHE 62 HZ PHE 62 4.766 7.821 31.265 480 H ASP 63 H ASP 63 5.101 6.319 23.291 481 HA ASP 63 HA ASP 63 5.140 8.470 21.347 482 1HB ASP 63 1HB ASP 63 6.264 5.703 21.486 483 2HB ASP 63 2HB ASP 63 6.067 6.458 19.907 484 H LEU 64 H LEU 64 2.666 8.454 21.575 485 HA LEU 64 HA LEU 64 1.051 6.449 20.542 486 1HB LEU 64 1HB LEU 64 0.558 9.394 20.176 487 2HB LEU 64 2HB LEU 64 -0.640 8.105 20.266 488 HG LEU 64 HG LEU 64 1.120 8.954 22.564 489 1HD1 LEU 64 1HD1 LEU 64 -0.222 10.803 22.333 490 2HD1 LEU 64 2HD1 LEU 64 -1.217 9.790 23.378 491 3HD1 LEU 64 3HD1 LEU 64 -1.563 9.882 21.651 492 1HD2 LEU 64 1HD2 LEU 64 -0.197 6.598 22.212 493 2HD2 LEU 64 2HD2 LEU 64 -1.416 7.563 23.043 494 3HD2 LEU 64 3HD2 LEU 64 0.171 7.323 23.777 495 H ILE 65 H ILE 65 2.738 9.064 18.863 496 HA ILE 65 HA ILE 65 1.674 8.808 16.329 497 HB ILE 65 HB ILE 65 4.532 9.421 17.084 498 1HG1 ILE 65 1HG1 ILE 65 2.934 10.991 18.041 499 2HG1 ILE 65 2HG1 ILE 65 3.827 11.768 16.738 500 1HG2 ILE 65 1HG2 ILE 65 3.811 10.657 14.652 501 2HG2 ILE 65 2HG2 ILE 65 5.028 9.411 14.923 502 3HG2 ILE 65 3HG2 ILE 65 3.373 8.954 14.521 503 1HD1 ILE 65 1HD1 ILE 65 1.890 12.368 15.863 504 2HD1 ILE 65 2HD1 ILE 65 1.552 10.666 15.547 505 3HD1 ILE 65 3HD1 ILE 65 1.006 11.409 17.050 506 H ASN 66 H ASN 66 4.614 7.189 17.544 507 HA ASN 66 HA ASN 66 4.957 5.547 15.277 508 1HB ASN 66 1HB ASN 66 5.939 5.219 18.119 509 2HB ASN 66 2HB ASN 66 6.465 4.216 16.770 510 1HD2 ASN 66 1HD2 ASN 66 6.405 7.488 18.035 511 2HD2 ASN 66 2HD2 ASN 66 7.784 8.051 17.159 512 H LYS 67 H LYS 67 3.641 4.792 18.502 513 HA LYS 67 HA LYS 67 2.978 2.159 18.163 514 1HB LYS 67 1HB LYS 67 2.632 3.780 20.185 515 2HB LYS 67 2HB LYS 67 1.025 3.995 19.505 516 1HG LYS 67 1HG LYS 67 0.825 2.315 21.137 517 2HG LYS 67 2HG LYS 67 0.791 1.483 19.581 518 1HD LYS 67 1HD LYS 67 2.902 0.587 19.865 519 2HD LYS 67 2HD LYS 67 3.391 1.838 21.010 520 1HE LYS 67 1HE LYS 67 2.990 -0.455 21.985 521 2HE LYS 67 2HE LYS 67 2.118 0.871 22.753 522 1HZ LYS 67 1HZ LYS 67 0.776 -0.564 20.589 523 2HZ LYS 67 2HZ LYS 67 0.128 0.131 21.988 524 3HZ LYS 67 3HZ LYS 67 0.926 -1.358 22.075 525 H ALA 68 H ALA 68 1.222 4.986 17.007 526 HA ALA 68 HA ALA 68 -1.126 3.717 16.166 527 1HB ALA 68 1HB ALA 68 -1.592 5.867 15.850 528 2HB ALA 68 2HB ALA 68 0.119 6.297 15.825 529 3HB ALA 68 3HB ALA 68 -0.681 5.774 14.343 530 H LYS 69 H LYS 69 1.901 4.342 14.419 531 HA LYS 69 HA LYS 69 1.011 3.121 11.997 532 1HB LYS 69 1HB LYS 69 3.577 4.211 13.035 533 2HB LYS 69 2HB LYS 69 3.666 3.078 11.693 534 1HG LYS 69 1HG LYS 69 3.540 5.048 10.557 535 2HG LYS 69 2HG LYS 69 1.824 4.647 10.669 536 1HD LYS 69 1HD LYS 69 1.637 6.085 12.656 537 2HD LYS 69 2HD LYS 69 3.344 6.506 12.501 538 1HE LYS 69 1HE LYS 69 2.992 7.724 10.550 539 2HE LYS 69 2HE LYS 69 1.453 6.931 10.218 540 1HZ LYS 69 1HZ LYS 69 1.990 9.280 11.756 541 2HZ LYS 69 2HZ LYS 69 1.072 8.155 12.624 542 3HZ LYS 69 3HZ LYS 69 0.523 8.718 11.126 543 H TRP 70 H TRP 70 3.219 2.088 14.589 544 HA TRP 70 HA TRP 70 4.043 -0.340 13.685 545 1HB TRP 70 1HB TRP 70 4.501 0.814 15.946 546 2HB TRP 70 2HB TRP 70 3.071 -0.040 16.519 547 HD1 TRP 70 HD TRP 70 6.631 -0.719 15.228 548 HE1 TRP 70 1HE TRP 70 7.345 -3.063 16.015 549 HE3 TRP 70 3HE TRP 70 2.209 -2.270 17.271 550 HZ2 TRP 70 2HZ TRP 70 6.186 -5.277 17.328 551 HZ3 TRP 70 3HZ TRP 70 2.095 -4.515 18.272 552 HH2 TRP 70 HH TRP 70 4.043 -5.986 18.298 553 H ASP 71 H ASP 71 0.949 0.334 15.292 554 HA ASP 71 HA ASP 71 0.006 -2.335 15.210 555 1HB ASP 71 1HB ASP 71 -1.262 0.342 15.658 556 2HB ASP 71 2HB ASP 71 -2.287 -1.070 15.415 557 H ALA 72 H ALA 72 0.073 0.236 12.889 558 HA ALA 72 HA ALA 72 -1.944 -0.879 11.169 559 1HB ALA 72 1HB ALA 72 -1.572 1.509 11.167 560 2HB ALA 72 2HB ALA 72 0.105 1.277 10.673 561 3HB ALA 72 3HB ALA 72 -1.205 0.848 9.573 562 H TRP 73 H TRP 73 1.605 -0.609 11.028 563 HA TRP 73 HA TRP 73 1.804 -2.212 8.667 564 1HB TRP 73 1HB TRP 73 3.480 -0.489 9.253 565 2HB TRP 73 2HB TRP 73 3.955 -1.447 10.653 566 HD1 TRP 73 HD TRP 73 3.273 -3.551 7.642 567 HE1 TRP 73 1HE TRP 73 5.492 -4.350 6.610 568 HE3 TRP 73 3HE TRP 73 6.502 -0.563 10.246 569 HZ2 TRP 73 2HZ TRP 73 8.246 -3.789 6.867 570 HZ3 TRP 73 3HZ TRP 73 8.913 -0.757 9.794 571 HH2 TRP 73 HH TRP 73 9.765 -2.338 8.139 572 H ASN 74 H ASN 74 1.904 -2.811 12.104 573 HA ASN 74 HA ASN 74 3.083 -5.376 12.029 574 1HB ASN 74 1HB ASN 74 3.011 -4.233 14.124 575 2HB ASN 74 2HB ASN 74 1.263 -4.040 14.033 576 1HD2 ASN 74 1HD2 ASN 74 1.004 -5.025 16.042 577 2HD2 ASN 74 2HD2 ASN 74 1.168 -6.733 16.248 578 H ALA 75 H ALA 75 -0.325 -4.360 12.172 579 HA ALA 75 HA ALA 75 -1.682 -6.674 12.313 580 1HB ALA 75 1HB ALA 75 -2.927 -5.331 10.176 581 2HB ALA 75 2HB ALA 75 -3.334 -5.256 11.891 582 3HB ALA 75 3HB ALA 75 -2.203 -4.092 11.202 583 H LEU 76 H LEU 76 -0.309 -5.393 9.286 584 HA LEU 76 HA LEU 76 -1.074 -7.219 7.454 585 1HB LEU 76 1HB LEU 76 1.592 -5.914 7.869 586 2HB LEU 76 2HB LEU 76 1.309 -6.995 6.507 587 HG LEU 76 HG LEU 76 1.092 -4.459 6.139 588 1HD1 LEU 76 1HD1 LEU 76 -0.520 -6.690 5.160 589 2HD1 LEU 76 2HD1 LEU 76 0.358 -5.445 4.272 590 3HD1 LEU 76 3HD1 LEU 76 -1.254 -5.108 4.902 591 1HD2 LEU 76 1HD2 LEU 76 -1.516 -5.040 7.537 592 2HD2 LEU 76 2HD2 LEU 76 -1.182 -3.590 6.590 593 3HD2 LEU 76 3HD2 LEU 76 -0.261 -3.917 8.059 594 H GLY 77 H GLY 77 1.761 -7.640 9.581 595 1HA GLY 77 1HA GLY 77 2.520 -9.604 10.570 596 2HA GLY 77 2HA GLY 77 1.253 -10.485 9.730 597 H SER 78 H SER 78 2.003 -11.924 8.340 598 HA SER 78 HA SER 78 4.678 -11.561 7.215 599 1HB SER 78 1HB SER 78 3.993 -13.712 8.373 600 2HB SER 78 2HB SER 78 2.925 -14.014 7.002 601 HG SER 78 HG SER 78 5.131 -14.940 6.928 602 H LEU 79 H LEU 79 2.424 -10.008 6.240 603 HA LEU 79 HA LEU 79 1.458 -11.064 3.797 604 1HB LEU 79 1HB LEU 79 0.530 -9.129 5.176 605 2HB LEU 79 2HB LEU 79 1.775 -8.141 4.414 606 HG LEU 79 HG LEU 79 -0.385 -7.858 3.320 607 1HD1 LEU 79 1HD1 LEU 79 1.778 -7.759 2.050 608 2HD1 LEU 79 2HD1 LEU 79 0.348 -8.101 1.077 609 3HD1 LEU 79 3HD1 LEU 79 1.453 -9.406 1.509 610 1HD2 LEU 79 1HD2 LEU 79 -1.766 -9.543 2.886 611 2HD2 LEU 79 2HD2 LEU 79 -0.641 -10.606 3.733 612 3HD2 LEU 79 3HD2 LEU 79 -0.521 -10.408 1.984 613 HA PRO 80 HA PRO 80 5.222 -10.613 1.459 614 1HB PRO 80 1HB PRO 80 4.181 -11.448 -0.906 615 2HB PRO 80 2HB PRO 80 4.613 -12.559 0.400 616 1HG PRO 80 1HG PRO 80 1.928 -11.467 -0.348 617 2HG PRO 80 2HG PRO 80 2.374 -13.120 0.114 618 1HD PRO 80 1HD PRO 80 1.215 -11.387 1.842 619 2HD PRO 80 2HD PRO 80 2.375 -12.625 2.365 620 H LYS 81 H LYS 81 6.072 -9.074 0.126 621 HA LYS 81 HA LYS 81 4.888 -6.613 -0.168 622 1HB LYS 81 1HB LYS 81 6.849 -7.661 -2.197 623 2HB LYS 81 2HB LYS 81 6.677 -6.019 -1.589 624 1HG LYS 81 1HG LYS 81 7.291 -7.197 0.701 625 2HG LYS 81 2HG LYS 81 8.051 -8.356 -0.391 626 1HD LYS 81 1HD LYS 81 9.429 -6.665 -1.351 627 2HD LYS 81 2HD LYS 81 8.531 -5.385 -0.533 628 1HE LYS 81 1HE LYS 81 10.333 -5.534 0.859 629 2HE LYS 81 2HE LYS 81 9.279 -6.727 1.617 630 1HZ LYS 81 1HZ LYS 81 11.059 -8.047 1.416 631 2HZ LYS 81 2HZ LYS 81 11.776 -7.101 0.211 632 3HZ LYS 81 3HZ LYS 81 10.571 -8.217 -0.195 633 H GLU 82 H GLU 82 5.104 -9.167 -2.643 634 HA GLU 82 HA GLU 82 3.899 -7.996 -4.771 635 1HB GLU 82 1HB GLU 82 3.476 -10.800 -3.730 636 2HB GLU 82 2HB GLU 82 2.942 -10.257 -5.315 637 1HG GLU 82 1HG GLU 82 5.804 -10.035 -4.455 638 2HG GLU 82 2HG GLU 82 5.154 -11.511 -5.166 639 H ALA 83 H ALA 83 2.275 -9.296 -1.915 640 HA ALA 83 HA ALA 83 -0.350 -8.638 -2.931 641 1HB ALA 83 1HB ALA 83 -1.109 -9.396 -0.676 642 2HB ALA 83 2HB ALA 83 -0.183 -10.598 -1.577 643 3HB ALA 83 3HB ALA 83 0.581 -9.695 -0.268 644 H ALA 84 H ALA 84 1.935 -7.349 -0.572 645 HA ALA 84 HA ALA 84 0.385 -5.484 0.730 646 1HB ALA 84 1HB ALA 84 3.275 -5.421 -0.083 647 2HB ALA 84 2HB ALA 84 2.541 -4.131 0.869 648 3HB ALA 84 3HB ALA 84 2.582 -5.777 1.500 649 H ARG 85 H ARG 85 2.160 -5.040 -2.325 650 HA ARG 85 HA ARG 85 1.407 -2.380 -2.773 651 1HB ARG 85 1HB ARG 85 2.393 -4.609 -4.499 652 2HB ARG 85 2HB ARG 85 1.753 -3.166 -5.276 653 1HG ARG 85 1HG ARG 85 3.372 -1.879 -3.751 654 2HG ARG 85 2HG ARG 85 4.153 -3.444 -3.511 655 1HD ARG 85 1HD ARG 85 4.078 -3.544 -6.124 656 2HD ARG 85 2HD ARG 85 3.920 -1.793 -5.988 657 HE ARG 85 HE ARG 85 6.046 -2.296 -4.426 658 1HH1 ARG 85 2HH1 ARG 85 5.234 -3.291 -7.662 659 2HH1 ARG 85 1HH1 ARG 85 6.882 -3.381 -8.188 660 1HH2 ARG 85 2HH2 ARG 85 8.220 -2.411 -5.106 661 2HH2 ARG 85 1HH2 ARG 85 8.580 -2.882 -6.733 662 H GLN 86 H GLN 86 -0.134 -5.420 -3.721 663 HA GLN 86 HA GLN 86 -2.156 -4.332 -5.332 664 1HB GLN 86 1HB GLN 86 -1.611 -6.724 -5.299 665 2HB GLN 86 2HB GLN 86 -2.215 -6.845 -3.652 666 1HG GLN 86 1HG GLN 86 -3.909 -7.689 -5.049 667 2HG GLN 86 2HG GLN 86 -4.446 -6.093 -4.527 668 1HE2 GLN 86 1HE2 GLN 86 -4.534 -4.417 -6.011 669 2HE2 GLN 86 2HE2 GLN 86 -4.464 -4.687 -7.716 670 H ASN 87 H ASN 87 -1.960 -4.850 -1.855 671 HA ASN 87 HA ASN 87 -4.680 -4.203 -1.317 672 1HB ASN 87 1HB ASN 87 -2.221 -4.308 0.435 673 2HB ASN 87 2HB ASN 87 -3.824 -3.926 1.057 674 1HD2 ASN 87 1HD2 ASN 87 -1.678 -6.376 0.062 675 2HD2 ASN 87 2HD2 ASN 87 -2.730 -7.724 0.318 676 H TYR 88 H TYR 88 -1.656 -2.368 -1.267 677 HA TYR 88 HA TYR 88 -2.611 0.009 -0.172 678 1HB TYR 88 1HB TYR 88 -0.210 -0.542 -0.600 679 2HB TYR 88 2HB TYR 88 -0.489 -0.244 -2.312 680 HD1 TYR 88 1HD TYR 88 0.756 1.174 0.589 681 HD2 TYR 88 2HD TYR 88 -1.710 2.135 -2.743 682 HE1 TYR 88 1HE TYR 88 1.231 3.563 0.934 683 HE2 TYR 88 2HE TYR 88 -1.240 4.526 -2.409 684 HH TYR 88 HH TYR 88 -0.524 5.981 -0.289 685 H VAL 89 H VAL 89 -2.279 -0.856 -3.615 686 HA VAL 89 HA VAL 89 -3.515 1.485 -4.599 687 HB VAL 89 HB VAL 89 -3.795 0.184 -6.718 688 1HG1 VAL 89 1HG1 VAL 89 -1.635 1.365 -5.812 689 2HG1 VAL 89 2HG1 VAL 89 -1.010 -0.284 -5.765 690 3HG1 VAL 89 3HG1 VAL 89 -1.582 0.401 -7.287 691 1HG2 VAL 89 1HG2 VAL 89 -4.078 -2.026 -6.342 692 2HG2 VAL 89 2HG2 VAL 89 -2.320 -2.050 -6.475 693 3HG2 VAL 89 3HG2 VAL 89 -3.084 -2.018 -4.886 694 H ASP 90 H ASP 90 -4.765 -1.785 -4.001 695 HA ASP 90 HA ASP 90 -7.318 -1.543 -4.984 696 1HB ASP 90 1HB ASP 90 -6.848 -3.672 -4.219 697 2HB ASP 90 2HB ASP 90 -6.134 -3.089 -2.718 698 H LEU 91 H LEU 91 -5.945 -0.043 -2.180 699 HA LEU 91 HA LEU 91 -8.487 0.681 -1.021 700 1HB LEU 91 1HB LEU 91 -6.461 0.264 0.340 701 2HB LEU 91 2HB LEU 91 -5.722 1.695 -0.375 702 HG LEU 91 HG LEU 91 -6.709 1.916 1.966 703 1HD1 LEU 91 1HD1 LEU 91 -7.805 3.850 -0.057 704 2HD1 LEU 91 2HD1 LEU 91 -6.096 3.776 0.371 705 3HD1 LEU 91 3HD1 LEU 91 -7.297 4.172 1.601 706 1HD2 LEU 91 1HD2 LEU 91 -8.847 0.689 1.140 707 2HD2 LEU 91 2HD2 LEU 91 -9.325 2.288 0.569 708 3HD2 LEU 91 3HD2 LEU 91 -8.994 2.026 2.282 709 H VAL 92 H VAL 92 -5.753 2.609 -2.269 710 HA VAL 92 HA VAL 92 -6.905 5.079 -2.349 711 HB VAL 92 HB VAL 92 -5.099 3.924 -4.479 712 1HG1 VAL 92 1HG1 VAL 92 -4.895 5.965 -5.393 713 2HG1 VAL 92 2HG1 VAL 92 -6.445 6.282 -4.611 714 3HG1 VAL 92 3HG1 VAL 92 -4.944 6.781 -3.830 715 1HG2 VAL 92 1HG2 VAL 92 -4.610 5.037 -1.759 716 2HG2 VAL 92 2HG2 VAL 92 -3.843 3.673 -2.573 717 3HG2 VAL 92 3HG2 VAL 92 -3.418 5.324 -3.026 718 H SER 93 H SER 93 -7.377 2.437 -4.624 719 HA SER 93 HA SER 93 -8.820 3.934 -6.557 720 1HB SER 93 1HB SER 93 -7.689 1.577 -6.734 721 2HB SER 93 2HB SER 93 -9.252 0.992 -6.164 722 HG SER 93 HG SER 93 -9.576 1.053 -8.282 723 H SER 94 H SER 94 -9.707 2.264 -3.622 724 HA SER 94 HA SER 94 -12.497 2.143 -4.074 725 1HB SER 94 1HB SER 94 -11.249 0.826 -2.338 726 2HB SER 94 2HB SER 94 -11.092 2.310 -1.399 727 HG SER 94 HG SER 94 -13.644 1.600 -2.263 728 H LEU 95 H LEU 95 -10.389 4.582 -2.662 729 HA LEU 95 HA LEU 95 -12.441 6.256 -1.659 730 1HB LEU 95 1HB LEU 95 -9.598 6.851 -2.455 731 2HB LEU 95 2HB LEU 95 -10.660 8.006 -1.652 732 HG LEU 95 HG LEU 95 -10.033 5.349 -0.406 733 1HD1 LEU 95 1HD1 LEU 95 -8.065 6.076 0.509 734 2HD1 LEU 95 2HD1 LEU 95 -8.478 7.780 0.324 735 3HD1 LEU 95 3HD1 LEU 95 -7.977 6.838 -1.080 736 1HD2 LEU 95 1HD2 LEU 95 -10.432 7.854 1.119 737 2HD2 LEU 95 2HD2 LEU 95 -10.962 6.210 1.475 738 3HD2 LEU 95 3HD2 LEU 95 -11.840 7.185 0.295 739 H SER 96 H SER 96 -10.539 6.347 -4.662 740 HA SER 96 HA SER 96 -12.204 8.496 -5.700 741 1HB SER 96 1HB SER 96 -9.670 7.164 -6.585 742 2HB SER 96 2HB SER 96 -10.628 8.065 -7.760 743 HG SER 96 HG SER 96 -10.103 9.295 -5.315 744 HA PRO 97 HA PRO 97 -14.972 5.661 -7.686 745 1HB PRO 97 1HB PRO 97 -16.295 7.500 -9.182 746 2HB PRO 97 2HB PRO 97 -16.562 7.302 -7.446 747 1HG PRO 97 1HG PRO 97 -14.885 9.321 -8.887 748 2HG PRO 97 2HG PRO 97 -15.982 9.553 -7.513 749 1HD PRO 97 1HD PRO 97 -13.297 9.372 -7.218 750 2HD PRO 97 2HD PRO 97 -14.434 8.790 -5.985 751 H SER 98 H SER 98 -13.575 8.237 -9.728 752 HA SER 98 HA SER 98 -13.526 6.414 -12.001 753 1HB SER 98 1HB SER 98 -14.296 8.829 -12.179 754 2HB SER 98 2HB SER 98 -12.610 9.293 -11.953 755 HG SER 98 HG SER 98 -13.302 7.423 -13.935 756 H LEU 99 H LEU 99 -11.710 5.607 -12.934 757 HA LEU 99 HA LEU 99 -9.089 6.563 -12.412 758 1HB LEU 99 1HB LEU 99 -9.925 5.218 -10.300 759 2HB LEU 99 2HB LEU 99 -9.471 3.833 -11.290 760 HG LEU 99 HG LEU 99 -7.595 6.080 -10.568 761 1HD1 LEU 99 1HD1 LEU 99 -7.976 5.103 -8.508 762 2HD1 LEU 99 2HD1 LEU 99 -6.605 4.176 -9.115 763 3HD1 LEU 99 3HD1 LEU 99 -8.231 3.500 -9.198 764 1HD2 LEU 99 1HD2 LEU 99 -6.314 5.168 -12.136 765 2HD2 LEU 99 2HD2 LEU 99 -7.461 3.852 -12.388 766 3HD2 LEU 99 3HD2 LEU 99 -6.222 3.717 -11.139 767 H GLU 100 H GLU 100 -7.993 6.128 -14.201 768 HA GLU 100 HA GLU 100 -8.913 3.989 -15.956 769 1HB GLU 100 1HB GLU 100 -8.442 6.347 -16.768 770 2HB GLU 100 2HB GLU 100 -6.737 6.004 -16.511 771 1HG GLU 100 1HG GLU 100 -6.607 4.585 -18.284 772 2HG GLU 100 2HG GLU 100 -8.298 4.101 -18.164 773 H SER 101 H SER 101 -8.149 2.140 -14.940 774 HA SER 101 HA SER 101 -5.544 1.784 -13.953 775 1HB SER 101 1HB SER 101 -7.744 -0.072 -14.787 776 2HB SER 101 2HB SER 101 -6.146 -0.731 -14.437 777 HG SER 101 HG SER 101 -7.963 -0.244 -12.696 778 H SER 102 H SER 102 -4.158 2.688 -15.542 779 HA SER 102 HA SER 102 -3.996 1.387 -18.134 780 1HB SER 102 1HB SER 102 -2.440 3.095 -18.735 781 2HB SER 102 2HB SER 102 -3.706 3.886 -17.797 782 HG SER 102 HG SER 102 -2.127 3.354 -15.961 783 H SER 103 H SER 103 -3.361 -0.711 -17.504 784 HA SER 103 HA SER 103 -0.766 -0.989 -16.188 785 1HB SER 103 1HB SER 103 -2.794 -2.381 -15.529 786 2HB SER 103 2HB SER 103 -2.599 -3.223 -17.066 787 HG SER 103 HG SER 103 -0.734 -3.073 -14.934 788 H GLN 104 H GLN 104 0.764 -0.497 -17.696 789 HA GLN 104 HA GLN 104 0.883 -2.271 -20.039 790 1HB GLN 104 1HB GLN 104 1.361 0.697 -19.913 791 2HB GLN 104 2HB GLN 104 2.056 -0.293 -21.189 792 1HG GLN 104 1HG GLN 104 0.112 0.515 -22.140 793 2HG GLN 104 2HG GLN 104 -0.347 -1.096 -21.594 794 1HE2 GLN 104 1HE2 GLN 104 -2.529 -0.426 -21.604 795 2HE2 GLN 104 2HE2 GLN 104 -3.169 0.545 -20.327 796 H VAL 105 H VAL 105 2.943 -2.931 -20.693 797 HA VAL 105 HA VAL 105 5.287 -2.027 -19.266 798 HB VAL 105 HB VAL 105 4.711 -3.557 -17.602 799 1HG1 VAL 105 1HG1 VAL 105 3.812 -5.383 -19.820 800 2HG1 VAL 105 2HG1 VAL 105 3.969 -5.900 -18.140 801 3HG1 VAL 105 3HG1 VAL 105 2.824 -4.628 -18.570 802 1HG2 VAL 105 1HG2 VAL 105 6.300 -5.391 -19.358 803 2HG2 VAL 105 2HG2 VAL 105 6.999 -3.885 -18.762 804 3HG2 VAL 105 3HG2 VAL 105 6.441 -5.110 -17.623 805 H GLU 106 H GLU 106 7.228 -2.661 -20.243 806 HA GLU 106 HA GLU 106 6.900 -3.660 -22.973 807 1HB GLU 106 1HB GLU 106 8.943 -1.986 -21.580 808 2HB GLU 106 2HB GLU 106 9.435 -2.908 -22.993 809 1HG GLU 106 1HG GLU 106 7.597 -1.822 -24.265 810 2HG GLU 106 2HG GLU 106 7.286 -0.809 -22.856 811 HA PRO 107 HA PRO 107 8.648 -7.587 -22.034 812 1HB PRO 107 1HB PRO 107 9.568 -8.253 -24.499 813 2HB PRO 107 2HB PRO 107 7.851 -8.263 -24.080 814 1HG PRO 107 1HG PRO 107 9.435 -6.177 -25.531 815 2HG PRO 107 2HG PRO 107 7.817 -6.808 -25.894 816 1HD PRO 107 1HD PRO 107 8.211 -4.446 -24.629 817 2HD PRO 107 2HD PRO 107 6.806 -5.482 -24.302 818 H GLY 108 H GLY 108 10.566 -5.091 -23.578 819 1HA GLY 108 1HA GLY 108 12.805 -4.599 -23.479 820 2HA GLY 108 2HA GLY 108 12.817 -5.501 -21.971 821 H THR 109 H THR 109 15.068 -5.848 -22.987 822 HA THR 109 HA THR 109 14.987 -8.444 -24.351 823 HB THR 109 HB THR 109 16.852 -6.201 -25.149 824 HG1 THR 109 1HG THR 109 15.576 -6.637 -27.211 825 1HG2 THR 109 1HG2 THR 109 17.738 -8.560 -25.289 826 2HG2 THR 109 2HG2 THR 109 17.703 -7.675 -26.814 827 3HG2 THR 109 3HG2 THR 109 16.467 -8.884 -26.467 828 H ASP 110 H ASP 110 15.887 -9.810 -22.958 829 HA ASP 110 HA ASP 110 17.727 -9.000 -20.937 830 1HB ASP 110 1HB ASP 110 16.042 -10.992 -20.958 831 2HB ASP 110 2HB ASP 110 17.348 -11.861 -21.761 832 H SER 111 H SER 111 19.877 -9.995 -20.638 833 HA SER 111 HA SER 111 21.320 -10.040 -23.197 834 1HB SER 111 1HB SER 111 22.105 -8.308 -21.714 835 2HB SER 111 2HB SER 111 22.265 -9.453 -20.383 836 HG SER 111 HG SER 111 23.953 -8.957 -22.499 837 H GLY 112 H GLY 112 22.859 -11.635 -23.645 838 1HA GLY 112 1HA GLY 112 22.313 -14.183 -22.346 839 2HA GLY 112 2HA GLY 112 23.234 -13.941 -23.823 840 HA PRO 113 HA PRO 113 25.921 -14.339 -19.851 841 1HB PRO 113 1HB PRO 113 26.324 -17.022 -19.775 842 2HB PRO 113 2HB PRO 113 25.013 -16.223 -18.899 843 1HG PRO 113 1HG PRO 113 24.935 -17.669 -21.520 844 2HG PRO 113 2HG PRO 113 23.788 -17.737 -20.169 845 1HD PRO 113 1HD PRO 113 23.337 -16.256 -22.390 846 2HD PRO 113 2HD PRO 113 22.752 -15.773 -20.785 847 H SER 114 H SER 114 27.435 -13.331 -21.229 848 HA SER 114 HA SER 114 29.278 -15.212 -22.518 849 1HB SER 114 1HB SER 114 27.709 -14.045 -24.192 850 2HB SER 114 2HB SER 114 28.611 -12.576 -23.819 851 HG SER 114 HG SER 114 30.137 -13.269 -25.070 852 H SER 115 H SER 115 31.384 -14.792 -22.155 853 HA SER 115 HA SER 115 32.052 -12.243 -20.834 854 1HB SER 115 1HB SER 115 32.063 -14.374 -19.385 855 2HB SER 115 2HB SER 115 33.509 -14.824 -20.289 856 HG SER 115 HG SER 115 34.391 -13.693 -18.713 857 H GLY 116 H GLY 116 34.138 -11.381 -21.232 858 1HA GLY 116 1HA GLY 116 35.032 -11.720 -23.911 859 2HA GLY 116 2HA GLY 116 35.802 -10.729 -22.680 Start of MODEL 2 1 1H GLY 1 H GLY 1 -32.149 -12.954 -16.470 2 1HA GLY 1 1HA GLY 1 -33.991 -14.613 -15.712 3 2HA GLY 1 2HA GLY 1 -33.160 -13.702 -14.459 4 H SER 2 H SER 2 -34.323 -12.409 -13.169 5 HA SER 2 HA SER 2 -37.155 -12.009 -13.870 6 1HB SER 2 1HB SER 2 -35.870 -12.107 -11.130 7 2HB SER 2 2HB SER 2 -37.588 -11.868 -11.450 8 HG SER 2 HG SER 2 -36.476 -14.133 -11.068 9 H SER 3 H SER 3 -38.160 -10.017 -13.114 10 HA SER 3 HA SER 3 -36.449 -7.749 -13.633 11 1HB SER 3 1HB SER 3 -38.798 -7.992 -14.537 12 2HB SER 3 2HB SER 3 -39.381 -7.710 -12.897 13 HG SER 3 HG SER 3 -39.326 -5.768 -14.052 14 H GLY 4 H GLY 4 -35.085 -7.663 -11.829 15 1HA GLY 4 1HA GLY 4 -36.239 -6.285 -9.556 16 2HA GLY 4 2HA GLY 4 -35.554 -7.861 -9.186 17 H SER 5 H SER 5 -34.114 -6.654 -7.773 18 HA SER 5 HA SER 5 -31.975 -5.241 -9.217 19 1HB SER 5 1HB SER 5 -31.352 -4.362 -6.946 20 2HB SER 5 2HB SER 5 -32.948 -3.858 -7.502 21 HG SER 5 HG SER 5 -32.781 -6.200 -5.999 22 H SER 6 H SER 6 -29.769 -5.638 -8.574 23 HA SER 6 HA SER 6 -29.349 -8.303 -7.391 24 1HB SER 6 1HB SER 6 -29.064 -8.343 -9.865 25 2HB SER 6 2HB SER 6 -27.790 -7.134 -9.709 26 HG SER 6 HG SER 6 -26.474 -8.599 -8.865 27 H GLY 7 H GLY 7 -27.607 -8.544 -6.034 28 1HA GLY 7 1HA GLY 7 -26.515 -6.088 -4.955 29 2HA GLY 7 2HA GLY 7 -26.282 -7.708 -4.313 30 H MET 8 H MET 8 -24.604 -5.226 -5.407 31 HA MET 8 HA MET 8 -22.888 -6.389 -7.358 32 1HB MET 8 1HB MET 8 -22.296 -4.066 -5.519 33 2HB MET 8 2HB MET 8 -21.493 -4.439 -7.038 34 1HG MET 8 1HG MET 8 -23.262 -3.713 -8.312 35 2HG MET 8 2HG MET 8 -24.432 -3.962 -7.018 36 1HE MET 8 1HE MET 8 -23.903 -1.491 -4.533 37 2HE MET 8 2HE MET 8 -25.223 -1.078 -5.628 38 3HE MET 8 3HE MET 8 -24.880 -2.769 -5.258 39 H ASN 9 H ASN 9 -20.482 -6.587 -6.955 40 HA ASN 9 HA ASN 9 -19.922 -7.707 -4.296 41 1HB ASN 9 1HB ASN 9 -18.809 -9.004 -6.764 42 2HB ASN 9 2HB ASN 9 -19.006 -9.679 -5.150 43 1HD2 ASN 9 1HD2 ASN 9 -20.155 -9.772 -8.204 44 2HD2 ASN 9 2HD2 ASN 9 -21.753 -10.357 -7.903 45 H ARG 10 H ARG 10 -17.391 -8.314 -4.340 46 HA ARG 10 HA ARG 10 -15.949 -6.032 -5.510 47 1HB ARG 10 1HB ARG 10 -14.584 -5.962 -3.396 48 2HB ARG 10 2HB ARG 10 -16.251 -5.429 -3.224 49 1HG ARG 10 1HG ARG 10 -15.611 -8.276 -2.657 50 2HG ARG 10 2HG ARG 10 -15.140 -7.048 -1.480 51 1HD ARG 10 1HD ARG 10 -17.925 -7.214 -2.596 52 2HD ARG 10 2HD ARG 10 -17.425 -8.142 -1.183 53 HE ARG 10 HE ARG 10 -16.715 -5.520 -0.682 54 1HH1 ARG 10 2HH1 ARG 10 -19.640 -7.302 -1.305 55 2HH1 ARG 10 1HH1 ARG 10 -20.641 -6.240 -0.371 56 1HH2 ARG 10 2HH2 ARG 10 -18.022 -4.114 0.550 57 2HH2 ARG 10 1HH2 ARG 10 -19.720 -4.426 0.683 58 H THR 11 H THR 11 -13.991 -6.483 -6.374 59 HA THR 11 HA THR 11 -12.782 -9.102 -5.849 60 HB THR 11 HB THR 11 -12.364 -9.473 -8.239 61 HG1 THR 11 1HG THR 11 -13.855 -8.051 -9.615 62 1HG2 THR 11 1HG2 THR 11 -14.215 -10.708 -8.007 63 2HG2 THR 11 2HG2 THR 11 -15.091 -9.365 -8.742 64 3HG2 THR 11 3HG2 THR 11 -14.983 -9.492 -6.987 65 H ALA 12 H ALA 12 -10.554 -9.184 -6.081 66 HA ALA 12 HA ALA 12 -9.234 -6.587 -6.081 67 1HB ALA 12 1HB ALA 12 -8.310 -9.350 -5.333 68 2HB ALA 12 2HB ALA 12 -7.231 -7.956 -5.385 69 3HB ALA 12 3HB ALA 12 -8.598 -7.971 -4.271 70 H MET 13 H MET 13 -8.241 -5.792 -7.809 71 HA MET 13 HA MET 13 -7.676 -7.585 -10.059 72 1HB MET 13 1HB MET 13 -9.057 -5.745 -10.693 73 2HB MET 13 2HB MET 13 -8.007 -4.592 -9.879 74 1HG MET 13 1HG MET 13 -6.215 -5.425 -11.552 75 2HG MET 13 2HG MET 13 -7.598 -6.022 -12.466 76 1HE MET 13 1HE MET 13 -8.297 -3.285 -14.651 77 2HE MET 13 2HE MET 13 -8.192 -5.002 -14.264 78 3HE MET 13 3HE MET 13 -9.533 -4.038 -13.644 79 H ARG 14 H ARG 14 -5.671 -8.356 -10.099 80 HA ARG 14 HA ARG 14 -3.483 -7.766 -8.701 81 1HB ARG 14 1HB ARG 14 -3.874 -9.372 -10.782 82 2HB ARG 14 2HB ARG 14 -2.994 -8.102 -11.622 83 1HG ARG 14 1HG ARG 14 -1.340 -8.411 -9.575 84 2HG ARG 14 2HG ARG 14 -2.062 -10.021 -9.568 85 1HD ARG 14 1HD ARG 14 -0.247 -10.290 -10.981 86 2HD ARG 14 2HD ARG 14 -1.569 -9.987 -12.108 87 HE ARG 14 HE ARG 14 -0.352 -7.545 -11.451 88 1HH1 ARG 14 2HH1 ARG 14 0.310 -10.483 -13.196 89 2HH1 ARG 14 1HH1 ARG 14 1.399 -9.729 -14.312 90 1HH2 ARG 14 2HH2 ARG 14 1.080 -6.540 -12.914 91 2HH2 ARG 14 1HH2 ARG 14 1.837 -7.486 -14.150 92 H ALA 15 H ALA 15 -2.063 -6.158 -8.426 93 HA ALA 15 HA ALA 15 -2.159 -3.900 -10.321 94 1HB ALA 15 1HB ALA 15 -2.722 -3.905 -7.575 95 2HB ALA 15 2HB ALA 15 -1.152 -3.120 -7.750 96 3HB ALA 15 3HB ALA 15 -2.547 -2.507 -8.637 97 H SER 16 H SER 16 -0.208 -2.788 -10.745 98 HA SER 16 HA SER 16 2.208 -4.369 -10.155 99 1HB SER 16 1HB SER 16 1.275 -4.047 -12.607 100 2HB SER 16 2HB SER 16 2.094 -2.490 -12.480 101 HG SER 16 HG SER 16 3.326 -4.995 -11.969 102 H GLN 17 H GLN 17 4.260 -3.008 -10.329 103 HA GLN 17 HA GLN 17 4.407 -1.181 -8.303 104 1HB GLN 17 1HB GLN 17 6.318 -2.277 -9.560 105 2HB GLN 17 2HB GLN 17 6.137 -1.013 -10.769 106 1HG GLN 17 1HG GLN 17 6.716 -0.528 -7.856 107 2HG GLN 17 2HG GLN 17 7.930 -0.570 -9.134 108 1HE2 GLN 17 1HE2 GLN 17 5.877 1.368 -7.371 109 2HE2 GLN 17 2HE2 GLN 17 5.920 2.781 -8.365 110 H LYS 18 H LYS 18 4.438 -0.279 -11.757 111 HA LYS 18 HA LYS 18 4.275 2.428 -11.561 112 1HB LYS 18 1HB LYS 18 3.108 2.423 -13.724 113 2HB LYS 18 2HB LYS 18 4.434 1.268 -13.700 114 1HG LYS 18 1HG LYS 18 2.771 -0.525 -13.225 115 2HG LYS 18 2HG LYS 18 1.494 0.671 -13.463 116 1HD LYS 18 1HD LYS 18 2.128 1.003 -15.740 117 2HD LYS 18 2HD LYS 18 3.597 0.047 -15.530 118 1HE LYS 18 1HE LYS 18 0.841 -1.094 -15.139 119 2HE LYS 18 2HE LYS 18 1.656 -1.091 -16.703 120 1HZ LYS 18 1HZ LYS 18 1.910 -3.165 -15.345 121 2HZ LYS 18 2HZ LYS 18 2.860 -2.273 -14.267 122 3HZ LYS 18 3HZ LYS 18 3.360 -2.470 -15.871 123 H ASP 19 H ASP 19 1.523 0.180 -11.466 124 HA ASP 19 HA ASP 19 -0.517 2.064 -11.231 125 1HB ASP 19 1HB ASP 19 -0.256 -0.789 -10.314 126 2HB ASP 19 2HB ASP 19 -1.713 0.142 -9.977 127 H PHE 20 H PHE 20 1.605 0.677 -8.794 128 HA PHE 20 HA PHE 20 0.247 1.612 -6.515 129 1HB PHE 20 1HB PHE 20 2.027 -0.105 -6.450 130 2HB PHE 20 2HB PHE 20 3.214 1.129 -6.859 131 HD1 PHE 20 1HD PHE 20 3.811 2.863 -5.240 132 HD2 PHE 20 2HD PHE 20 1.132 -0.291 -4.244 133 HE1 PHE 20 1HE PHE 20 4.104 3.373 -2.851 134 HE2 PHE 20 2HE PHE 20 1.420 0.215 -1.853 135 HZ PHE 20 HZ PHE 20 2.907 2.049 -1.154 136 H GLU 21 H GLU 21 3.192 2.944 -8.032 137 HA GLU 21 HA GLU 21 3.430 5.254 -6.574 138 1HB GLU 21 1HB GLU 21 4.193 4.461 -9.332 139 2HB GLU 21 2HB GLU 21 4.243 6.177 -8.957 140 1HG GLU 21 1HG GLU 21 5.547 4.270 -7.087 141 2HG GLU 21 2HG GLU 21 6.341 4.644 -8.615 142 H ASN 22 H ASN 22 1.098 4.499 -9.032 143 HA ASN 22 HA ASN 22 0.252 7.208 -9.466 144 1HB ASN 22 1HB ASN 22 -0.887 4.526 -10.243 145 2HB ASN 22 2HB ASN 22 -1.723 6.035 -10.597 146 1HD2 ASN 22 1HD2 ASN 22 -0.161 3.832 -12.131 147 2HD2 ASN 22 2HD2 ASN 22 0.795 4.751 -13.238 148 H SER 23 H SER 23 -1.065 4.412 -7.711 149 HA SER 23 HA SER 23 -3.391 5.639 -6.761 150 1HB SER 23 1HB SER 23 -1.725 3.357 -5.709 151 2HB SER 23 2HB SER 23 -3.198 3.883 -4.896 152 HG SER 23 HG SER 23 -3.205 3.302 -7.652 153 H MET 24 H MET 24 -0.308 5.129 -5.035 154 HA MET 24 HA MET 24 -0.863 6.474 -2.709 155 1HB MET 24 1HB MET 24 1.597 6.958 -2.597 156 2HB MET 24 2HB MET 24 1.195 5.277 -2.921 157 1HG MET 24 1HG MET 24 2.015 5.339 -5.040 158 2HG MET 24 2HG MET 24 1.668 7.054 -5.244 159 1HE MET 24 1HE MET 24 4.523 7.618 -6.256 160 2HE MET 24 2HE MET 24 3.148 8.510 -5.603 161 3HE MET 24 3HE MET 24 4.756 8.742 -4.916 162 H ASN 25 H ASN 25 0.032 7.817 -5.834 163 HA ASN 25 HA ASN 25 0.488 10.467 -4.988 164 1HB ASN 25 1HB ASN 25 1.165 9.524 -7.203 165 2HB ASN 25 2HB ASN 25 -0.528 9.559 -7.689 166 1HD2 ASN 25 1HD2 ASN 25 0.243 10.928 -9.414 167 2HD2 ASN 25 2HD2 ASN 25 0.457 12.618 -9.127 168 H GLN 26 H GLN 26 -2.414 8.881 -6.288 169 HA GLN 26 HA GLN 26 -4.125 11.040 -6.390 170 1HB GLN 26 1HB GLN 26 -4.741 8.181 -5.630 171 2HB GLN 26 2HB GLN 26 -5.960 9.386 -6.024 172 1HG GLN 26 1HG GLN 26 -4.888 9.634 -8.259 173 2HG GLN 26 2HG GLN 26 -3.839 8.279 -7.845 174 1HE2 GLN 26 1HE2 GLN 26 -6.794 9.214 -9.145 175 2HE2 GLN 26 2HE2 GLN 26 -7.533 7.656 -9.245 176 H VAL 27 H VAL 27 -3.296 9.017 -3.611 177 HA VAL 27 HA VAL 27 -5.135 10.101 -1.787 178 HB VAL 27 HB VAL 27 -2.414 8.897 -1.266 179 1HG1 VAL 27 1HG1 VAL 27 -2.998 10.171 0.656 180 2HG1 VAL 27 2HG1 VAL 27 -4.665 9.591 0.611 181 3HG1 VAL 27 3HG1 VAL 27 -3.355 8.484 1.026 182 1HG2 VAL 27 1HG2 VAL 27 -3.444 6.835 -1.078 183 2HG2 VAL 27 2HG2 VAL 27 -5.037 7.538 -0.799 184 3HG2 VAL 27 3HG2 VAL 27 -4.332 7.566 -2.415 185 H LYS 28 H LYS 28 -2.128 11.302 -3.017 186 HA LYS 28 HA LYS 28 -1.884 13.317 -0.933 187 1HB LYS 28 1HB LYS 28 -0.220 12.799 -3.404 188 2HB LYS 28 2HB LYS 28 0.145 14.010 -2.182 189 1HG LYS 28 1HG LYS 28 0.806 12.456 -0.637 190 2HG LYS 28 2HG LYS 28 -0.197 11.179 -1.331 191 1HD LYS 28 1HD LYS 28 1.930 10.512 -1.947 192 2HD LYS 28 2HD LYS 28 1.399 11.404 -3.374 193 1HE LYS 28 1HE LYS 28 2.757 13.219 -2.903 194 2HE LYS 28 2HE LYS 28 2.870 12.819 -1.190 195 1HZ LYS 28 1HZ LYS 28 4.706 12.223 -3.147 196 2HZ LYS 28 2HZ LYS 28 3.958 10.746 -2.802 197 3HZ LYS 28 3HZ LYS 28 4.691 11.633 -1.562 198 H LEU 29 H LEU 29 -3.304 12.958 -4.017 199 HA LEU 29 HA LEU 29 -3.199 15.686 -4.842 200 1HB LEU 29 1HB LEU 29 -4.609 13.228 -5.718 201 2HB LEU 29 2HB LEU 29 -5.290 14.776 -6.215 202 HG LEU 29 HG LEU 29 -3.524 15.261 -7.607 203 1HD1 LEU 29 1HD1 LEU 29 -1.944 13.658 -5.679 204 2HD1 LEU 29 2HD1 LEU 29 -1.591 15.220 -6.417 205 3HD1 LEU 29 3HD1 LEU 29 -1.365 13.737 -7.343 206 1HD2 LEU 29 1HD2 LEU 29 -3.303 13.462 -9.050 207 2HD2 LEU 29 2HD2 LEU 29 -4.773 13.062 -8.160 208 3HD2 LEU 29 3HD2 LEU 29 -3.247 12.284 -7.738 209 H LEU 30 H LEU 30 -5.658 13.683 -3.251 210 HA LEU 30 HA LEU 30 -7.658 15.656 -3.113 211 1HB LEU 30 1HB LEU 30 -8.715 14.249 -1.469 212 2HB LEU 30 2HB LEU 30 -8.063 13.259 -2.774 213 HG LEU 30 HG LEU 30 -6.036 12.965 -1.148 214 1HD1 LEU 30 1HD1 LEU 30 -7.968 13.049 1.048 215 2HD1 LEU 30 2HD1 LEU 30 -7.517 14.633 0.418 216 3HD1 LEU 30 3HD1 LEU 30 -6.272 13.530 1.004 217 1HD2 LEU 30 1HD2 LEU 30 -7.327 11.060 -0.042 218 2HD2 LEU 30 2HD2 LEU 30 -7.252 11.072 -1.804 219 3HD2 LEU 30 3HD2 LEU 30 -8.714 11.616 -0.979 220 H LYS 31 H LYS 31 -7.940 17.362 -1.823 221 HA LYS 31 HA LYS 31 -5.971 17.817 0.302 222 1HB LYS 31 1HB LYS 31 -6.580 19.467 -1.685 223 2HB LYS 31 2HB LYS 31 -7.871 19.938 -0.588 224 1HG LYS 31 1HG LYS 31 -5.108 19.808 0.489 225 2HG LYS 31 2HG LYS 31 -5.526 21.145 -0.585 226 1HD LYS 31 1HD LYS 31 -7.625 21.334 0.979 227 2HD LYS 31 2HD LYS 31 -6.591 20.473 2.121 228 1HE LYS 31 1HE LYS 31 -5.567 22.890 0.685 229 2HE LYS 31 2HE LYS 31 -6.605 23.073 2.099 230 1HZ LYS 31 1HZ LYS 31 -3.846 22.362 1.961 231 2HZ LYS 31 2HZ LYS 31 -4.731 21.229 2.851 232 3HZ LYS 31 3HZ LYS 31 -4.761 22.861 3.294 233 H LYS 32 H LYS 32 -8.590 16.208 0.342 234 HA LYS 32 HA LYS 32 -9.849 17.597 2.613 235 1HB LYS 32 1HB LYS 32 -10.932 15.682 0.566 236 2HB LYS 32 2HB LYS 32 -11.744 15.900 2.111 237 1HG LYS 32 1HG LYS 32 -11.076 18.273 0.426 238 2HG LYS 32 2HG LYS 32 -12.492 17.286 0.056 239 1HD LYS 32 1HD LYS 32 -11.995 18.354 2.819 240 2HD LYS 32 2HD LYS 32 -12.811 19.321 1.587 241 1HE LYS 32 1HE LYS 32 -14.618 18.330 2.576 242 2HE LYS 32 2HE LYS 32 -14.266 17.139 1.325 243 1HZ LYS 32 1HZ LYS 32 -13.855 15.612 2.860 244 2HZ LYS 32 2HZ LYS 32 -14.429 16.688 4.031 245 3HZ LYS 32 3HZ LYS 32 -12.775 16.617 3.687 246 H ASP 33 H ASP 33 -8.239 16.804 4.069 247 HA ASP 33 HA ASP 33 -7.313 14.307 4.505 248 1HB ASP 33 1HB ASP 33 -7.406 14.846 6.986 249 2HB ASP 33 2HB ASP 33 -6.603 16.039 5.968 250 HA PRO 34 HA PRO 34 -11.120 11.973 4.912 251 1HB PRO 34 1HB PRO 34 -9.909 9.544 4.914 252 2HB PRO 34 2HB PRO 34 -10.199 10.471 3.437 253 1HG PRO 34 1HG PRO 34 -7.692 10.221 5.055 254 2HG PRO 34 2HG PRO 34 -7.895 10.191 3.294 255 1HD PRO 34 1HD PRO 34 -7.053 12.392 4.626 256 2HD PRO 34 2HD PRO 34 -8.025 12.487 3.143 257 H GLY 35 H GLY 35 -8.195 10.998 6.723 258 1HA GLY 35 1HA GLY 35 -8.940 11.505 9.266 259 2HA GLY 35 2HA GLY 35 -9.802 10.013 8.919 260 H ASN 36 H ASN 36 -7.585 10.634 10.809 261 HA ASN 36 HA ASN 36 -5.144 9.604 9.982 262 1HB ASN 36 1HB ASN 36 -6.527 9.736 12.641 263 2HB ASN 36 2HB ASN 36 -4.992 8.886 12.492 264 1HD2 ASN 36 1HD2 ASN 36 -3.202 10.032 12.681 265 2HD2 ASN 36 2HD2 ASN 36 -3.092 11.754 12.592 266 H GLU 37 H GLU 37 -8.125 8.001 10.423 267 HA GLU 37 HA GLU 37 -7.240 5.419 11.112 268 1HB GLU 37 1HB GLU 37 -9.581 6.052 11.290 269 2HB GLU 37 2HB GLU 37 -9.677 6.291 9.551 270 1HG GLU 37 1HG GLU 37 -10.651 4.223 9.836 271 2HG GLU 37 2HG GLU 37 -8.995 3.811 9.397 272 H VAL 38 H VAL 38 -7.823 6.943 7.962 273 HA VAL 38 HA VAL 38 -6.976 4.596 6.513 274 HB VAL 38 HB VAL 38 -8.623 5.859 5.399 275 1HG1 VAL 38 1HG1 VAL 38 -6.896 8.247 5.993 276 2HG1 VAL 38 2HG1 VAL 38 -8.210 8.290 4.816 277 3HG1 VAL 38 3HG1 VAL 38 -8.553 7.940 6.510 278 1HG2 VAL 38 1HG2 VAL 38 -7.542 6.543 3.317 279 2HG2 VAL 38 2HG2 VAL 38 -5.976 6.556 4.128 280 3HG2 VAL 38 3HG2 VAL 38 -6.853 5.039 3.927 281 H LYS 39 H LYS 39 -5.634 7.759 7.326 282 HA LYS 39 HA LYS 39 -3.372 7.796 5.753 283 1HB LYS 39 1HB LYS 39 -4.068 8.922 8.419 284 2HB LYS 39 2HB LYS 39 -2.374 8.945 7.947 285 1HG LYS 39 1HG LYS 39 -3.007 10.961 7.126 286 2HG LYS 39 2HG LYS 39 -3.388 9.961 5.722 287 1HD LYS 39 1HD LYS 39 -5.663 10.063 6.103 288 2HD LYS 39 2HD LYS 39 -5.465 10.399 7.825 289 1HE LYS 39 1HE LYS 39 -6.280 12.341 6.500 290 2HE LYS 39 2HE LYS 39 -4.779 12.648 7.371 291 1HZ LYS 39 1HZ LYS 39 -4.417 13.521 5.263 292 2HZ LYS 39 2HZ LYS 39 -5.168 12.227 4.474 293 3HZ LYS 39 3HZ LYS 39 -3.652 12.013 5.192 294 H LEU 40 H LEU 40 -4.110 5.721 8.395 295 HA LEU 40 HA LEU 40 -1.340 4.920 8.787 296 1HB LEU 40 1HB LEU 40 -3.924 4.062 10.068 297 2HB LEU 40 2HB LEU 40 -2.370 3.317 10.436 298 HG LEU 40 HG LEU 40 -2.777 6.266 10.785 299 1HD1 LEU 40 1HD1 LEU 40 -3.895 4.070 12.411 300 2HD1 LEU 40 2HD1 LEU 40 -4.441 5.735 12.216 301 3HD1 LEU 40 3HD1 LEU 40 -3.089 5.371 13.289 302 1HD2 LEU 40 1HD2 LEU 40 -0.603 4.562 11.052 303 2HD2 LEU 40 2HD2 LEU 40 -1.153 4.834 12.706 304 3HD2 LEU 40 3HD2 LEU 40 -0.739 6.206 11.677 305 H LYS 41 H LYS 41 -4.384 3.530 7.615 306 HA LYS 41 HA LYS 41 -3.453 0.956 7.055 307 1HB LYS 41 1HB LYS 41 -5.475 0.605 6.042 308 2HB LYS 41 2HB LYS 41 -5.863 2.057 6.954 309 1HG LYS 41 1HG LYS 41 -5.262 3.365 4.875 310 2HG LYS 41 2HG LYS 41 -5.243 1.818 4.025 311 1HD LYS 41 1HD LYS 41 -7.601 2.780 5.633 312 2HD LYS 41 2HD LYS 41 -7.408 3.119 3.911 313 1HE LYS 41 1HE LYS 41 -7.659 0.895 3.315 314 2HE LYS 41 2HE LYS 41 -7.205 0.310 4.915 315 1HZ LYS 41 1HZ LYS 41 -9.427 0.009 5.051 316 2HZ LYS 41 2HZ LYS 41 -9.793 1.228 3.938 317 3HZ LYS 41 3HZ LYS 41 -9.402 1.630 5.534 318 H LEU 42 H LEU 42 -3.186 3.943 5.252 319 HA LEU 42 HA LEU 42 -2.287 2.718 2.825 320 1HB LEU 42 1HB LEU 42 -2.557 5.480 3.869 321 2HB LEU 42 2HB LEU 42 -1.423 5.222 2.545 322 HG LEU 42 HG LEU 42 -3.554 5.963 1.682 323 1HD1 LEU 42 1HD1 LEU 42 -3.863 4.333 0.015 324 2HD1 LEU 42 2HD1 LEU 42 -3.353 3.026 1.083 325 3HD1 LEU 42 3HD1 LEU 42 -2.171 4.196 0.496 326 1HD2 LEU 42 1HD2 LEU 42 -4.844 3.476 2.756 327 2HD2 LEU 42 2HD2 LEU 42 -5.605 4.924 2.095 328 3HD2 LEU 42 3HD2 LEU 42 -4.827 4.980 3.677 329 H TYR 43 H TYR 43 -0.798 3.742 5.774 330 HA TYR 43 HA TYR 43 1.878 3.757 4.658 331 1HB TYR 43 1HB TYR 43 1.879 5.300 6.338 332 2HB TYR 43 2HB TYR 43 0.640 4.455 7.260 333 HD1 TYR 43 1HD TYR 43 4.237 4.717 6.588 334 HD2 TYR 43 2HD TYR 43 1.235 2.754 8.876 335 HE1 TYR 43 1HE TYR 43 5.969 3.847 8.102 336 HE2 TYR 43 2HE TYR 43 2.958 1.879 10.397 337 HH TYR 43 HH TYR 43 5.943 1.547 9.797 338 H ALA 44 H ALA 44 -0.207 1.628 6.477 339 HA ALA 44 HA ALA 44 1.671 -0.182 7.470 340 1HB ALA 44 1HB ALA 44 -1.216 -0.428 6.718 341 2HB ALA 44 2HB ALA 44 -0.300 -1.838 7.250 342 3HB ALA 44 3HB ALA 44 -0.472 -0.445 8.318 343 H LEU 45 H LEU 45 -0.053 -0.167 4.363 344 HA LEU 45 HA LEU 45 1.168 -2.555 3.408 345 1HB LEU 45 1HB LEU 45 -0.389 -0.342 2.117 346 2HB LEU 45 2HB LEU 45 0.343 -1.625 1.155 347 HG LEU 45 HG LEU 45 -1.869 -2.304 1.427 348 1HD1 LEU 45 1HD1 LEU 45 -0.101 -3.994 2.093 349 2HD1 LEU 45 2HD1 LEU 45 -1.747 -4.317 2.638 350 3HD1 LEU 45 3HD1 LEU 45 -0.558 -3.662 3.764 351 1HD2 LEU 45 1HD2 LEU 45 -2.506 -0.643 3.102 352 2HD2 LEU 45 2HD2 LEU 45 -1.660 -1.565 4.345 353 3HD2 LEU 45 3HD2 LEU 45 -3.076 -2.252 3.548 354 H TYR 46 H TYR 46 1.784 0.896 2.880 355 HA TYR 46 HA TYR 46 3.709 0.820 0.939 356 1HB TYR 46 1HB TYR 46 2.975 2.939 1.733 357 2HB TYR 46 2HB TYR 46 3.492 2.583 3.377 358 HD1 TYR 46 1HD TYR 46 4.722 3.301 -0.043 359 HD2 TYR 46 2HD TYR 46 5.689 3.077 4.094 360 HE1 TYR 46 1HE TYR 46 6.881 4.389 -0.495 361 HE2 TYR 46 2HE TYR 46 7.850 4.165 3.654 362 HH TYR 46 HH TYR 46 8.941 4.827 0.381 363 H LYS 47 H LYS 47 4.335 0.645 4.446 364 HA LYS 47 HA LYS 47 7.095 0.077 4.164 365 1HB LYS 47 1HB LYS 47 5.307 -0.568 6.514 366 2HB LYS 47 2HB LYS 47 7.059 -0.415 6.538 367 1HG LYS 47 1HG LYS 47 5.338 1.880 5.691 368 2HG LYS 47 2HG LYS 47 5.623 1.538 7.400 369 1HD LYS 47 1HD LYS 47 7.975 1.642 5.584 370 2HD LYS 47 2HD LYS 47 7.193 3.165 6.015 371 1HE LYS 47 1HE LYS 47 7.344 2.153 8.445 372 2HE LYS 47 2HE LYS 47 8.656 1.219 7.730 373 1HZ LYS 47 1HZ LYS 47 9.861 3.141 7.257 374 2HZ LYS 47 2HZ LYS 47 9.242 3.427 8.805 375 3HZ LYS 47 3HZ LYS 47 8.525 4.159 7.460 376 H GLN 48 H GLN 48 4.346 -1.826 3.675 377 HA GLN 48 HA GLN 48 5.656 -4.344 4.305 378 1HB GLN 48 1HB GLN 48 3.164 -3.813 4.679 379 2HB GLN 48 2HB GLN 48 2.990 -4.043 2.945 380 1HG GLN 48 1HG GLN 48 2.484 -6.134 3.679 381 2HG GLN 48 2HG GLN 48 4.223 -6.304 3.446 382 1HE2 GLN 48 1HE2 GLN 48 3.886 -8.107 4.953 383 2HE2 GLN 48 2HE2 GLN 48 3.937 -7.782 6.649 384 H ALA 49 H ALA 49 4.834 -2.382 1.537 385 HA ALA 49 HA ALA 49 5.712 -4.476 -0.308 386 1HB ALA 49 1HB ALA 49 3.970 -3.617 -1.423 387 2HB ALA 49 2HB ALA 49 4.003 -2.109 -0.508 388 3HB ALA 49 3HB ALA 49 5.091 -2.334 -1.878 389 H THR 50 H THR 50 7.300 -2.470 1.557 390 HA THR 50 HA THR 50 9.334 -1.863 -0.485 391 HB THR 50 HB THR 50 9.963 0.147 0.866 392 HG1 THR 50 1HG THR 50 7.569 -0.565 2.225 393 1HG2 THR 50 1HG2 THR 50 7.376 -0.133 -0.580 394 2HG2 THR 50 2HG2 THR 50 8.808 0.807 -0.999 395 3HG2 THR 50 3HG2 THR 50 7.707 1.386 0.251 396 H GLU 51 H GLU 51 8.659 -2.548 2.916 397 HA GLU 51 HA GLU 51 11.460 -3.398 3.241 398 1HB GLU 51 1HB GLU 51 9.513 -2.750 5.454 399 2HB GLU 51 2HB GLU 51 11.250 -2.986 5.592 400 1HG GLU 51 1HG GLU 51 11.551 -0.962 4.155 401 2HG GLU 51 2HG GLU 51 9.815 -0.691 4.287 402 H GLY 52 H GLY 52 8.094 -4.282 3.848 403 1HA GLY 52 1HA GLY 52 7.544 -6.645 3.377 404 2HA GLY 52 2HA GLY 52 9.003 -7.064 4.262 405 HA PRO 53 HA PRO 53 5.704 -7.644 7.332 406 1HB PRO 53 1HB PRO 53 7.094 -9.469 8.784 407 2HB PRO 53 2HB PRO 53 6.182 -9.891 7.330 408 1HG PRO 53 1HG PRO 53 9.118 -9.401 7.648 409 2HG PRO 53 2HG PRO 53 8.289 -10.669 6.727 410 1HD PRO 53 1HD PRO 53 9.310 -8.450 5.558 411 2HD PRO 53 2HD PRO 53 7.858 -9.269 4.947 412 H CYS 54 H CYS 54 5.457 -6.600 9.231 413 HA CYS 54 HA CYS 54 7.193 -4.672 10.129 414 1HB CYS 54 1HB CYS 54 4.941 -4.602 10.884 415 2HB CYS 54 2HB CYS 54 5.051 -6.209 11.592 416 HG CYS 54 HG CYS 54 6.731 -5.434 13.679 417 H ASN 55 H ASN 55 9.270 -5.035 10.612 418 HA ASN 55 HA ASN 55 9.873 -7.157 12.567 419 1HB ASN 55 1HB ASN 55 12.028 -7.466 11.534 420 2HB ASN 55 2HB ASN 55 10.799 -7.570 10.277 421 1HD2 ASN 55 1HD2 ASN 55 10.422 -5.627 8.995 422 2HD2 ASN 55 2HD2 ASN 55 11.756 -4.581 8.660 423 H MET 56 H MET 56 9.237 -4.174 12.763 424 HA MET 56 HA MET 56 11.715 -3.166 13.930 425 1HB MET 56 1HB MET 56 10.241 -1.080 14.275 426 2HB MET 56 2HB MET 56 10.704 -1.506 12.632 427 1HG MET 56 1HG MET 56 8.550 -2.446 12.199 428 2HG MET 56 2HG MET 56 8.079 -2.262 13.887 429 1HE MET 56 1HE MET 56 8.554 0.145 15.014 430 2HE MET 56 2HE MET 56 9.684 0.977 13.946 431 3HE MET 56 3HE MET 56 8.078 1.652 14.229 432 HA PRO 57 HA PRO 57 10.616 -3.966 18.104 433 1HB PRO 57 1HB PRO 57 11.710 -1.822 19.360 434 2HB PRO 57 2HB PRO 57 12.679 -3.135 18.682 435 1HG PRO 57 1HG PRO 57 12.065 -0.443 17.526 436 2HG PRO 57 2HG PRO 57 13.603 -1.326 17.552 437 1HD PRO 57 1HD PRO 57 12.005 -1.249 15.368 438 2HD PRO 57 2HD PRO 57 13.017 -2.653 15.762 439 H LYS 58 H LYS 58 8.799 -3.725 19.244 440 HA LYS 58 HA LYS 58 6.813 -1.872 18.601 441 1HB LYS 58 1HB LYS 58 6.600 -4.108 19.839 442 2HB LYS 58 2HB LYS 58 7.032 -3.212 21.290 443 1HG LYS 58 1HG LYS 58 5.071 -1.961 21.252 444 2HG LYS 58 2HG LYS 58 4.756 -2.332 19.555 445 1HD LYS 58 1HD LYS 58 4.341 -4.679 20.166 446 2HD LYS 58 2HD LYS 58 4.612 -4.274 21.862 447 1HE LYS 58 1HE LYS 58 2.753 -2.489 21.423 448 2HE LYS 58 2HE LYS 58 2.339 -3.538 20.069 449 1HZ LYS 58 1HZ LYS 58 1.880 -3.915 22.872 450 2HZ LYS 58 2HZ LYS 58 2.616 -5.258 22.154 451 3HZ LYS 58 3HZ LYS 58 1.149 -4.673 21.548 452 HA PRO 59 HA PRO 59 8.446 1.729 20.650 453 1HB PRO 59 1HB PRO 59 6.348 3.353 20.075 454 2HB PRO 59 2HB PRO 59 7.587 2.929 18.889 455 1HG PRO 59 1HG PRO 59 4.851 1.774 19.265 456 2HG PRO 59 2HG PRO 59 5.684 2.210 17.762 457 1HD PRO 59 1HD PRO 59 5.527 -0.343 18.653 458 2HD PRO 59 2HD PRO 59 6.920 0.264 17.735 459 H GLY 60 H GLY 60 7.668 3.275 22.323 460 1HA GLY 60 1HA GLY 60 6.293 1.830 24.405 461 2HA GLY 60 2HA GLY 60 7.000 3.433 24.538 462 H VAL 61 H VAL 61 4.490 2.654 25.613 463 HA VAL 61 HA VAL 61 2.259 3.262 24.091 464 HB VAL 61 HB VAL 61 1.199 3.987 26.258 465 1HG1 VAL 61 1HG1 VAL 61 2.450 1.382 25.685 466 2HG1 VAL 61 2HG1 VAL 61 1.894 1.619 27.343 467 3HG1 VAL 61 3HG1 VAL 61 0.763 1.789 25.999 468 1HG2 VAL 61 1HG2 VAL 61 4.030 3.692 27.147 469 2HG2 VAL 61 2HG2 VAL 61 2.835 4.913 27.584 470 3HG2 VAL 61 3HG2 VAL 61 2.728 3.291 28.268 471 H PHE 62 H PHE 62 4.162 5.484 26.127 472 HA PHE 62 HA PHE 62 2.781 7.819 25.658 473 1HB PHE 62 1HB PHE 62 5.682 7.259 26.193 474 2HB PHE 62 2HB PHE 62 5.135 8.907 25.903 475 HD1 PHE 62 1HD PHE 62 4.850 6.003 28.144 476 HD2 PHE 62 2HD PHE 62 3.921 10.114 27.548 477 HE1 PHE 62 1HE PHE 62 4.186 6.192 30.506 478 HE2 PHE 62 2HE PHE 62 3.257 10.310 29.909 479 HZ PHE 62 HZ PHE 62 3.390 8.348 31.391 480 H ASP 63 H ASP 63 4.683 5.994 23.465 481 HA ASP 63 HA ASP 63 5.012 8.209 21.602 482 1HB ASP 63 1HB ASP 63 6.696 6.245 22.087 483 2HB ASP 63 2HB ASP 63 5.702 5.378 20.920 484 H LEU 64 H LEU 64 2.349 7.637 22.139 485 HA LEU 64 HA LEU 64 0.906 5.884 20.704 486 1HB LEU 64 1HB LEU 64 0.277 8.827 20.675 487 2HB LEU 64 2HB LEU 64 -0.861 7.486 20.555 488 HG LEU 64 HG LEU 64 0.750 8.214 23.002 489 1HD1 LEU 64 1HD1 LEU 64 -0.945 9.486 23.695 490 2HD1 LEU 64 2HD1 LEU 64 -2.155 8.325 23.150 491 3HD1 LEU 64 3HD1 LEU 64 -1.473 9.486 22.012 492 1HD2 LEU 64 1HD2 LEU 64 -1.543 6.295 22.920 493 2HD2 LEU 64 2HD2 LEU 64 -0.258 6.453 24.117 494 3HD2 LEU 64 3HD2 LEU 64 0.090 5.753 22.535 495 H ILE 65 H ILE 65 2.682 8.609 19.388 496 HA ILE 65 HA ILE 65 1.631 8.647 16.802 497 HB ILE 65 HB ILE 65 4.434 9.290 17.723 498 1HG1 ILE 65 1HG1 ILE 65 2.948 10.775 18.800 499 2HG1 ILE 65 2HG1 ILE 65 3.524 11.664 17.394 500 1HG2 ILE 65 1HG2 ILE 65 5.019 9.611 15.608 501 2HG2 ILE 65 2HG2 ILE 65 3.451 8.990 15.093 502 3HG2 ILE 65 3HG2 ILE 65 3.664 10.717 15.379 503 1HD1 ILE 65 1HD1 ILE 65 1.448 11.015 16.207 504 2HD1 ILE 65 2HD1 ILE 65 0.872 10.284 17.705 505 3HD1 ILE 65 3HD1 ILE 65 1.175 12.020 17.630 506 H ASN 66 H ASN 66 4.518 6.941 18.014 507 HA ASN 66 HA ASN 66 4.897 5.535 15.542 508 1HB ASN 66 1HB ASN 66 6.214 5.539 18.225 509 2HB ASN 66 2HB ASN 66 6.493 4.169 17.153 510 1HD2 ASN 66 1HD2 ASN 66 6.472 7.714 17.108 511 2HD2 ASN 66 2HD2 ASN 66 7.850 7.879 16.079 512 H LYS 67 H LYS 67 3.378 4.868 18.627 513 HA LYS 67 HA LYS 67 3.095 2.081 18.358 514 1HB LYS 67 1HB LYS 67 2.653 3.696 20.387 515 2HB LYS 67 2HB LYS 67 1.015 3.724 19.748 516 1HG LYS 67 1HG LYS 67 1.080 2.051 21.417 517 2HG LYS 67 2HG LYS 67 1.029 1.219 19.861 518 1HD LYS 67 1HD LYS 67 3.180 0.457 20.043 519 2HD LYS 67 2HD LYS 67 3.690 1.813 21.051 520 1HE LYS 67 1HE LYS 67 1.722 -0.178 22.100 521 2HE LYS 67 2HE LYS 67 3.442 -0.561 22.093 522 1HZ LYS 67 1HZ LYS 67 3.314 0.430 24.104 523 2HZ LYS 67 2HZ LYS 67 1.980 1.386 23.694 524 3HZ LYS 67 3HZ LYS 67 3.530 1.835 23.186 525 H ALA 68 H ALA 68 1.158 4.775 17.200 526 HA ALA 68 HA ALA 68 -1.122 3.336 16.411 527 1HB ALA 68 1HB ALA 68 -0.516 5.565 14.657 528 2HB ALA 68 2HB ALA 68 -1.861 5.338 15.775 529 3HB ALA 68 3HB ALA 68 -0.328 5.983 16.361 530 H LYS 69 H LYS 69 1.771 4.279 14.566 531 HA LYS 69 HA LYS 69 0.966 3.034 12.154 532 1HB LYS 69 1HB LYS 69 3.490 4.187 13.228 533 2HB LYS 69 2HB LYS 69 3.621 3.098 11.854 534 1HG LYS 69 1HG LYS 69 3.426 5.099 10.779 535 2HG LYS 69 2HG LYS 69 1.728 4.626 10.869 536 1HD LYS 69 1HD LYS 69 1.543 5.969 12.966 537 2HD LYS 69 2HD LYS 69 3.188 6.542 12.684 538 1HE LYS 69 1HE LYS 69 1.181 6.805 10.499 539 2HE LYS 69 2HE LYS 69 1.097 7.919 11.863 540 1HZ LYS 69 1HZ LYS 69 2.661 9.097 10.855 541 2HZ LYS 69 2HZ LYS 69 2.894 7.913 9.670 542 3HZ LYS 69 3HZ LYS 69 3.751 7.831 11.126 543 H TRP 70 H TRP 70 3.173 2.003 14.744 544 HA TRP 70 HA TRP 70 4.078 -0.377 13.747 545 1HB TRP 70 1HB TRP 70 4.579 0.735 16.009 546 2HB TRP 70 2HB TRP 70 3.170 -0.135 16.610 547 HD1 TRP 70 HD TRP 70 6.736 -0.729 15.338 548 HE1 TRP 70 1HE TRP 70 7.471 -3.094 16.037 549 HE3 TRP 70 3HE TRP 70 2.294 -2.443 17.199 550 HZ2 TRP 70 2HZ TRP 70 6.320 -5.384 17.219 551 HZ3 TRP 70 3HZ TRP 70 2.195 -4.733 18.095 552 HH2 TRP 70 HH TRP 70 4.168 -6.172 18.103 553 H ASP 71 H ASP 71 0.967 0.237 15.317 554 HA ASP 71 HA ASP 71 0.105 -2.477 15.250 555 1HB ASP 71 1HB ASP 71 -1.193 0.158 15.807 556 2HB ASP 71 2HB ASP 71 -2.217 -1.242 15.498 557 H ALA 72 H ALA 72 0.040 0.153 12.990 558 HA ALA 72 HA ALA 72 -1.974 -0.977 11.284 559 1HB ALA 72 1HB ALA 72 -0.315 0.872 9.880 560 2HB ALA 72 2HB ALA 72 -1.977 1.072 10.435 561 3HB ALA 72 3HB ALA 72 -0.636 1.498 11.498 562 H TRP 73 H TRP 73 1.567 -0.777 11.228 563 HA TRP 73 HA TRP 73 1.748 -2.300 8.785 564 1HB TRP 73 1HB TRP 73 3.401 -0.554 9.299 565 2HB TRP 73 2HB TRP 73 3.907 -1.451 10.728 566 HD1 TRP 73 HD TRP 73 3.262 -3.667 7.787 567 HE1 TRP 73 1HE TRP 73 5.494 -4.450 6.774 568 HE3 TRP 73 3HE TRP 73 6.432 -0.530 10.286 569 HZ2 TRP 73 2HZ TRP 73 8.237 -3.821 7.004 570 HZ3 TRP 73 3HZ TRP 73 8.845 -0.685 9.832 571 HH2 TRP 73 HH TRP 73 9.727 -2.298 8.225 572 H ASN 74 H ASN 74 1.977 -2.899 12.222 573 HA ASN 74 HA ASN 74 3.212 -5.426 12.127 574 1HB ASN 74 1HB ASN 74 3.106 -4.280 14.224 575 2HB ASN 74 2HB ASN 74 1.350 -4.173 14.147 576 1HD2 ASN 74 1HD2 ASN 74 0.993 -5.214 16.065 577 2HD2 ASN 74 2HD2 ASN 74 1.306 -6.897 16.299 578 H ALA 75 H ALA 75 -0.206 -4.477 12.122 579 HA ALA 75 HA ALA 75 -1.458 -6.901 12.293 580 1HB ALA 75 1HB ALA 75 -2.766 -5.428 10.234 581 2HB ALA 75 2HB ALA 75 -3.230 -5.620 11.925 582 3HB ALA 75 3HB ALA 75 -2.164 -4.299 11.448 583 H LEU 76 H LEU 76 -0.021 -5.450 9.395 584 HA LEU 76 HA LEU 76 -0.816 -7.164 7.433 585 1HB LEU 76 1HB LEU 76 1.764 -5.747 7.932 586 2HB LEU 76 2HB LEU 76 1.627 -6.850 6.563 587 HG LEU 76 HG LEU 76 1.244 -4.337 6.171 588 1HD1 LEU 76 1HD1 LEU 76 -0.022 -6.691 5.081 589 2HD1 LEU 76 2HD1 LEU 76 0.605 -5.264 4.257 590 3HD1 LEU 76 3HD1 LEU 76 -1.041 -5.265 4.890 591 1HD2 LEU 76 1HD2 LEU 76 -1.140 -3.675 6.488 592 2HD2 LEU 76 2HD2 LEU 76 -0.229 -3.845 7.989 593 3HD2 LEU 76 3HD2 LEU 76 -1.352 -5.111 7.490 594 H GLY 77 H GLY 77 1.987 -7.655 9.581 595 1HA GLY 77 1HA GLY 77 2.846 -9.637 10.412 596 2HA GLY 77 2HA GLY 77 1.555 -10.500 9.590 597 H SER 78 H SER 78 2.531 -12.039 8.433 598 HA SER 78 HA SER 78 5.060 -11.542 7.117 599 1HB SER 78 1HB SER 78 3.277 -13.974 7.300 600 2HB SER 78 2HB SER 78 4.760 -13.943 6.346 601 HG SER 78 HG SER 78 4.718 -14.647 8.738 602 H LEU 79 H LEU 79 2.828 -9.969 6.216 603 HA LEU 79 HA LEU 79 1.804 -11.005 3.772 604 1HB LEU 79 1HB LEU 79 0.887 -9.111 5.250 605 2HB LEU 79 2HB LEU 79 2.052 -8.086 4.415 606 HG LEU 79 HG LEU 79 -0.215 -7.911 3.476 607 1HD1 LEU 79 1HD1 LEU 79 1.867 -7.606 2.107 608 2HD1 LEU 79 2HD1 LEU 79 0.419 -8.028 1.192 609 3HD1 LEU 79 3HD1 LEU 79 1.641 -9.255 1.525 610 1HD2 LEU 79 1HD2 LEU 79 -0.286 -10.373 2.026 611 2HD2 LEU 79 2HD2 LEU 79 -1.485 -9.695 3.128 612 3HD2 LEU 79 3HD2 LEU 79 -0.188 -10.715 3.754 613 HA PRO 80 HA PRO 80 5.492 -10.383 1.361 614 1HB PRO 80 1HB PRO 80 4.407 -11.127 -1.014 615 2HB PRO 80 2HB PRO 80 4.884 -12.288 0.230 616 1HG PRO 80 1HG PRO 80 2.168 -11.201 -0.407 617 2HG PRO 80 2HG PRO 80 2.646 -12.867 -0.029 618 1HD PRO 80 1HD PRO 80 1.506 -11.229 1.800 619 2HD PRO 80 2HD PRO 80 2.694 -12.472 2.241 620 H LYS 81 H LYS 81 6.240 -8.954 -0.251 621 HA LYS 81 HA LYS 81 5.048 -6.425 -0.307 622 1HB LYS 81 1HB LYS 81 7.152 -7.684 -2.063 623 2HB LYS 81 2HB LYS 81 6.666 -6.001 -2.222 624 1HG LYS 81 1HG LYS 81 7.604 -5.398 -0.207 625 2HG LYS 81 2HG LYS 81 7.539 -7.041 0.435 626 1HD LYS 81 1HD LYS 81 9.382 -7.729 -0.871 627 2HD LYS 81 2HD LYS 81 9.300 -6.286 -1.885 628 1HE LYS 81 1HE LYS 81 9.716 -5.038 0.374 629 2HE LYS 81 2HE LYS 81 10.342 -6.601 0.897 630 1HZ LYS 81 1HZ LYS 81 11.825 -4.763 -0.313 631 2HZ LYS 81 2HZ LYS 81 11.308 -5.634 -1.667 632 3HZ LYS 81 3HZ LYS 81 12.141 -6.421 -0.422 633 H GLU 82 H GLU 82 5.166 -8.932 -2.832 634 HA GLU 82 HA GLU 82 3.855 -7.682 -4.875 635 1HB GLU 82 1HB GLU 82 3.092 -9.888 -5.608 636 2HB GLU 82 2HB GLU 82 4.756 -9.952 -5.045 637 1HG GLU 82 1HG GLU 82 4.122 -10.999 -3.015 638 2HG GLU 82 2HG GLU 82 2.412 -10.705 -3.325 639 H ALA 83 H ALA 83 2.424 -9.147 -2.001 640 HA ALA 83 HA ALA 83 -0.274 -8.578 -2.876 641 1HB ALA 83 1HB ALA 83 -0.937 -9.504 -0.701 642 2HB ALA 83 2HB ALA 83 0.148 -10.585 -1.577 643 3HB ALA 83 3HB ALA 83 0.762 -9.613 -0.239 644 H ALA 84 H ALA 84 2.048 -7.285 -0.551 645 HA ALA 84 HA ALA 84 0.468 -5.524 0.860 646 1HB ALA 84 1HB ALA 84 3.336 -5.359 -0.006 647 2HB ALA 84 2HB ALA 84 2.590 -4.101 0.980 648 3HB ALA 84 3HB ALA 84 2.680 -5.756 1.582 649 H ARG 85 H ARG 85 2.106 -4.954 -2.245 650 HA ARG 85 HA ARG 85 1.256 -2.290 -2.565 651 1HB ARG 85 1HB ARG 85 2.372 -4.397 -4.345 652 2HB ARG 85 2HB ARG 85 1.587 -3.022 -5.111 653 1HG ARG 85 1HG ARG 85 3.108 -1.599 -3.584 654 2HG ARG 85 2HG ARG 85 4.045 -3.085 -3.414 655 1HD ARG 85 1HD ARG 85 4.321 -3.211 -5.825 656 2HD ARG 85 2HD ARG 85 3.325 -1.770 -6.031 657 HE ARG 85 HE ARG 85 5.135 -0.482 -5.475 658 1HH1 ARG 85 2HH1 ARG 85 5.755 -3.784 -4.560 659 2HH1 ARG 85 1HH1 ARG 85 7.416 -3.497 -4.157 660 1HH2 ARG 85 2HH2 ARG 85 7.320 -0.093 -4.948 661 2HH2 ARG 85 1HH2 ARG 85 8.305 -1.397 -4.378 662 H GLN 86 H GLN 86 -0.128 -5.356 -3.686 663 HA GLN 86 HA GLN 86 -2.212 -4.332 -5.225 664 1HB GLN 86 1HB GLN 86 -1.388 -6.784 -4.855 665 2HB GLN 86 2HB GLN 86 -2.585 -6.801 -3.567 666 1HG GLN 86 1HG GLN 86 -3.135 -6.205 -6.466 667 2HG GLN 86 2HG GLN 86 -3.465 -7.728 -5.642 668 1HE2 GLN 86 1HE2 GLN 86 -4.685 -4.735 -6.511 669 2HE2 GLN 86 2HE2 GLN 86 -6.107 -4.738 -5.532 670 H ASN 87 H ASN 87 -1.943 -4.783 -1.756 671 HA ASN 87 HA ASN 87 -4.703 -4.249 -1.214 672 1HB ASN 87 1HB ASN 87 -2.230 -4.526 0.462 673 2HB ASN 87 2HB ASN 87 -3.708 -3.888 1.176 674 1HD2 ASN 87 1HD2 ASN 87 -2.039 -6.662 0.111 675 2HD2 ASN 87 2HD2 ASN 87 -3.261 -7.825 0.487 676 H TYR 88 H TYR 88 -1.733 -2.358 -1.260 677 HA TYR 88 HA TYR 88 -2.729 -0.017 -0.075 678 1HB TYR 88 1HB TYR 88 -0.327 -0.451 -0.429 679 2HB TYR 88 2HB TYR 88 -0.558 -0.286 -2.166 680 HD1 TYR 88 1HD TYR 88 0.407 1.389 0.756 681 HD2 TYR 88 2HD TYR 88 -1.678 2.004 -2.902 682 HE1 TYR 88 1HE TYR 88 0.809 3.809 0.941 683 HE2 TYR 88 2HE TYR 88 -1.281 4.425 -2.728 684 HH TYR 88 HH TYR 88 0.945 5.778 -0.638 685 H VAL 89 H VAL 89 -2.530 -0.989 -3.485 686 HA VAL 89 HA VAL 89 -3.722 1.394 -4.487 687 HB VAL 89 HB VAL 89 -4.050 0.029 -6.587 688 1HG1 VAL 89 1HG1 VAL 89 -1.694 -0.003 -7.137 689 2HG1 VAL 89 2HG1 VAL 89 -2.056 1.417 -6.154 690 3HG1 VAL 89 3HG1 VAL 89 -1.266 0.018 -5.426 691 1HG2 VAL 89 1HG2 VAL 89 -3.467 -2.174 -6.732 692 2HG2 VAL 89 2HG2 VAL 89 -2.309 -2.072 -5.406 693 3HG2 VAL 89 3HG2 VAL 89 -4.037 -2.133 -5.064 694 H ASP 90 H ASP 90 -4.952 -1.729 -3.468 695 HA ASP 90 HA ASP 90 -7.497 -1.680 -4.559 696 1HB ASP 90 1HB ASP 90 -6.393 -3.542 -3.215 697 2HB ASP 90 2HB ASP 90 -6.904 -2.671 -1.772 698 H LEU 91 H LEU 91 -6.249 -0.030 -1.716 699 HA LEU 91 HA LEU 91 -8.798 0.898 -0.814 700 1HB LEU 91 1HB LEU 91 -6.904 0.637 0.703 701 2HB LEU 91 2HB LEU 91 -6.017 1.877 -0.181 702 HG LEU 91 HG LEU 91 -7.031 2.587 2.016 703 1HD1 LEU 91 1HD1 LEU 91 -8.141 4.194 -0.254 704 2HD1 LEU 91 2HD1 LEU 91 -6.402 4.065 0.006 705 3HD1 LEU 91 3HD1 LEU 91 -7.432 4.748 1.263 706 1HD2 LEU 91 1HD2 LEU 91 -9.191 1.301 1.501 707 2HD2 LEU 91 2HD2 LEU 91 -9.628 2.698 0.518 708 3HD2 LEU 91 3HD2 LEU 91 -9.333 2.893 2.246 709 H VAL 92 H VAL 92 -6.010 2.663 -2.178 710 HA VAL 92 HA VAL 92 -7.148 5.118 -2.554 711 HB VAL 92 HB VAL 92 -5.282 3.766 -4.509 712 1HG1 VAL 92 1HG1 VAL 92 -6.568 6.099 -4.900 713 2HG1 VAL 92 2HG1 VAL 92 -5.148 6.671 -4.023 714 3HG1 VAL 92 3HG1 VAL 92 -4.953 5.758 -5.520 715 1HG2 VAL 92 1HG2 VAL 92 -4.113 3.620 -2.530 716 2HG2 VAL 92 2HG2 VAL 92 -3.604 5.204 -3.112 717 3HG2 VAL 92 3HG2 VAL 92 -4.844 5.080 -1.864 718 H SER 93 H SER 93 -7.583 2.236 -4.510 719 HA SER 93 HA SER 93 -8.920 3.516 -6.669 720 1HB SER 93 1HB SER 93 -7.807 1.192 -6.635 721 2HB SER 93 2HB SER 93 -9.306 0.628 -5.896 722 HG SER 93 HG SER 93 -8.892 1.712 -8.466 723 H SER 94 H SER 94 -9.938 2.211 -3.596 724 HA SER 94 HA SER 94 -12.714 2.074 -4.151 725 1HB SER 94 1HB SER 94 -11.279 2.387 -1.503 726 2HB SER 94 2HB SER 94 -12.980 1.964 -1.693 727 HG SER 94 HG SER 94 -12.432 0.012 -2.445 728 H LEU 95 H LEU 95 -10.597 4.622 -2.999 729 HA LEU 95 HA LEU 95 -12.659 6.421 -2.222 730 1HB LEU 95 1HB LEU 95 -9.799 6.967 -3.003 731 2HB LEU 95 2HB LEU 95 -10.881 8.117 -2.221 732 HG LEU 95 HG LEU 95 -10.158 5.502 -0.931 733 1HD1 LEU 95 1HD1 LEU 95 -8.345 7.565 -1.541 734 2HD1 LEU 95 2HD1 LEU 95 -8.101 6.184 -0.472 735 3HD1 LEU 95 3HD1 LEU 95 -8.714 7.705 0.178 736 1HD2 LEU 95 1HD2 LEU 95 -12.083 7.175 -0.248 737 2HD2 LEU 95 2HD2 LEU 95 -10.743 8.035 0.511 738 3HD2 LEU 95 3HD2 LEU 95 -11.091 6.366 0.965 739 H SER 96 H SER 96 -10.640 6.154 -5.136 740 HA SER 96 HA SER 96 -11.815 8.346 -6.485 741 1HB SER 96 1HB SER 96 -10.050 6.067 -7.258 742 2HB SER 96 2HB SER 96 -10.864 6.957 -8.544 743 HG SER 96 HG SER 96 -9.466 8.488 -8.272 744 HA PRO 97 HA PRO 97 -15.638 6.678 -7.877 745 1HB PRO 97 1HB PRO 97 -16.013 8.196 -10.096 746 2HB PRO 97 2HB PRO 97 -16.199 8.829 -8.456 747 1HG PRO 97 1HG PRO 97 -13.874 9.069 -10.327 748 2HG PRO 97 2HG PRO 97 -14.601 10.304 -9.282 749 1HD PRO 97 1HD PRO 97 -12.332 8.983 -8.617 750 2HD PRO 97 2HD PRO 97 -13.503 9.539 -7.405 751 H SER 98 H SER 98 -13.185 7.158 -10.416 752 HA SER 98 HA SER 98 -13.466 4.442 -11.308 753 1HB SER 98 1HB SER 98 -14.655 6.705 -12.870 754 2HB SER 98 2HB SER 98 -13.936 5.347 -13.735 755 HG SER 98 HG SER 98 -16.298 5.494 -12.391 756 H LEU 99 H LEU 99 -11.835 3.818 -12.795 757 HA LEU 99 HA LEU 99 -9.753 5.825 -13.312 758 1HB LEU 99 1HB LEU 99 -9.512 3.227 -11.874 759 2HB LEU 99 2HB LEU 99 -8.166 3.772 -12.873 760 HG LEU 99 HG LEU 99 -9.315 5.547 -10.748 761 1HD1 LEU 99 1HD1 LEU 99 -8.184 3.024 -10.247 762 2HD1 LEU 99 2HD1 LEU 99 -8.526 4.309 -9.089 763 3HD1 LEU 99 3HD1 LEU 99 -6.944 4.217 -9.862 764 1HD2 LEU 99 1HD2 LEU 99 -6.659 5.983 -10.829 765 2HD2 LEU 99 2HD2 LEU 99 -7.826 6.849 -11.829 766 3HD2 LEU 99 3HD2 LEU 99 -6.943 5.475 -12.494 767 H GLU 100 H GLU 100 -11.838 3.663 -14.588 768 HA GLU 100 HA GLU 100 -10.036 2.807 -16.741 769 1HB GLU 100 1HB GLU 100 -11.819 1.238 -17.368 770 2HB GLU 100 2HB GLU 100 -11.326 1.023 -15.695 771 1HG GLU 100 1HG GLU 100 -13.297 2.497 -15.081 772 2HG GLU 100 2HG GLU 100 -13.835 2.284 -16.746 773 H SER 101 H SER 101 -9.960 4.092 -18.452 774 HA SER 101 HA SER 101 -12.281 5.754 -19.110 775 1HB SER 101 1HB SER 101 -9.411 5.877 -20.065 776 2HB SER 101 2HB SER 101 -10.689 6.970 -20.596 777 HG SER 101 HG SER 101 -10.911 7.642 -18.424 778 H SER 102 H SER 102 -10.013 3.478 -20.613 779 HA SER 102 HA SER 102 -11.988 3.066 -22.762 780 1HB SER 102 1HB SER 102 -8.983 3.172 -22.868 781 2HB SER 102 2HB SER 102 -9.901 2.301 -24.097 782 HG SER 102 HG SER 102 -9.994 5.056 -23.460 783 H SER 103 H SER 103 -11.737 0.876 -23.827 784 HA SER 103 HA SER 103 -12.026 -1.137 -21.843 785 1HB SER 103 1HB SER 103 -12.075 -1.092 -24.838 786 2HB SER 103 2HB SER 103 -11.994 -2.641 -23.999 787 HG SER 103 HG SER 103 -13.944 -0.645 -23.484 788 H GLN 104 H GLN 104 -10.592 -2.526 -21.021 789 HA GLN 104 HA GLN 104 -7.826 -2.204 -21.473 790 1HB GLN 104 1HB GLN 104 -7.591 -4.230 -20.042 791 2HB GLN 104 2HB GLN 104 -8.602 -2.978 -19.333 792 1HG GLN 104 1HG GLN 104 -9.819 -4.867 -18.888 793 2HG GLN 104 2HG GLN 104 -10.553 -4.321 -20.395 794 1HE2 GLN 104 1HE2 GLN 104 -8.257 -6.582 -18.999 795 2HE2 GLN 104 2HE2 GLN 104 -8.358 -7.755 -20.264 796 H VAL 105 H VAL 105 -6.346 -4.029 -22.063 797 HA VAL 105 HA VAL 105 -7.130 -5.062 -24.643 798 HB VAL 105 HB VAL 105 -4.862 -4.136 -24.241 799 1HG1 VAL 105 1HG1 VAL 105 -3.854 -6.580 -22.987 800 2HG1 VAL 105 2HG1 VAL 105 -3.461 -4.891 -22.662 801 3HG1 VAL 105 3HG1 VAL 105 -4.901 -5.617 -21.946 802 1HG2 VAL 105 1HG2 VAL 105 -4.951 -5.447 -26.147 803 2HG2 VAL 105 2HG2 VAL 105 -3.642 -6.201 -25.236 804 3HG2 VAL 105 3HG2 VAL 105 -5.248 -6.929 -25.240 805 H GLU 106 H GLU 106 -7.751 -7.078 -25.117 806 HA GLU 106 HA GLU 106 -8.774 -8.878 -23.397 807 1HB GLU 106 1HB GLU 106 -7.247 -9.587 -25.908 808 2HB GLU 106 2HB GLU 106 -8.406 -10.627 -25.091 809 1HG GLU 106 1HG GLU 106 -9.085 -7.932 -26.240 810 2HG GLU 106 2HG GLU 106 -9.290 -9.457 -27.100 811 HA PRO 107 HA PRO 107 -5.508 -10.564 -20.972 812 1HB PRO 107 1HB PRO 107 -6.722 -12.857 -20.174 813 2HB PRO 107 2HB PRO 107 -7.151 -11.268 -19.529 814 1HG PRO 107 1HG PRO 107 -8.510 -12.878 -21.655 815 2HG PRO 107 2HG PRO 107 -9.226 -11.958 -20.319 816 1HD PRO 107 1HD PRO 107 -9.122 -11.007 -22.852 817 2HD PRO 107 2HD PRO 107 -9.027 -9.949 -21.430 818 H GLY 108 H GLY 108 -4.139 -12.502 -20.786 819 1HA GLY 108 1HA GLY 108 -3.004 -14.332 -21.632 820 2HA GLY 108 2HA GLY 108 -4.274 -14.517 -22.832 821 H THR 109 H THR 109 -1.681 -14.942 -23.553 822 HA THR 109 HA THR 109 -1.340 -12.948 -25.609 823 HB THR 109 HB THR 109 0.869 -13.377 -23.588 824 HG1 THR 109 1HG THR 109 -0.964 -11.291 -24.081 825 1HG2 THR 109 1HG2 THR 109 2.276 -12.775 -25.207 826 2HG2 THR 109 2HG2 THR 109 1.436 -11.228 -25.318 827 3HG2 THR 109 3HG2 THR 109 0.941 -12.576 -26.341 828 H ASP 110 H ASP 110 -0.236 -13.715 -27.378 829 HA ASP 110 HA ASP 110 0.683 -15.228 -28.807 830 1HB ASP 110 1HB ASP 110 1.802 -16.438 -26.269 831 2HB ASP 110 2HB ASP 110 2.313 -16.852 -27.903 832 H SER 111 H SER 111 -1.957 -15.620 -28.124 833 HA SER 111 HA SER 111 -2.355 -18.315 -28.887 834 1HB SER 111 1HB SER 111 -3.482 -19.159 -26.885 835 2HB SER 111 2HB SER 111 -1.815 -18.722 -26.510 836 HG SER 111 HG SER 111 -4.163 -17.243 -25.932 837 H GLY 112 H GLY 112 -4.745 -18.888 -28.848 838 1HA GLY 112 1HA GLY 112 -6.971 -17.668 -28.441 839 2HA GLY 112 2HA GLY 112 -6.263 -16.445 -29.486 840 HA PRO 113 HA PRO 113 -8.085 -18.498 -32.914 841 1HB PRO 113 1HB PRO 113 -6.481 -17.567 -34.896 842 2HB PRO 113 2HB PRO 113 -7.695 -16.565 -34.093 843 1HG PRO 113 1HG PRO 113 -4.744 -16.712 -33.613 844 2HG PRO 113 2HG PRO 113 -5.793 -15.285 -33.703 845 1HD PRO 113 1HD PRO 113 -4.970 -16.342 -31.350 846 2HD PRO 113 2HD PRO 113 -6.545 -15.546 -31.540 847 H SER 114 H SER 114 -7.753 -20.674 -32.774 848 HA SER 114 HA SER 114 -5.119 -21.725 -33.540 849 1HB SER 114 1HB SER 114 -5.799 -23.812 -32.488 850 2HB SER 114 2HB SER 114 -6.055 -22.477 -31.363 851 HG SER 114 HG SER 114 -8.285 -22.493 -32.134 852 H SER 115 H SER 115 -4.846 -22.991 -35.303 853 HA SER 115 HA SER 115 -6.712 -22.857 -37.403 854 1HB SER 115 1HB SER 115 -4.132 -24.282 -36.947 855 2HB SER 115 2HB SER 115 -5.144 -24.818 -38.288 856 HG SER 115 HG SER 115 -3.549 -22.681 -38.156 857 H GLY 116 H GLY 116 -8.422 -24.069 -37.897 858 1HA GLY 116 1HA GLY 116 -9.923 -25.809 -37.916 859 2HA GLY 116 2HA GLY 116 -8.596 -26.856 -37.433 Start of MODEL 3 1 1H GLY 1 H GLY 1 -31.271 -3.814 -19.151 2 1HA GLY 1 1HA GLY 1 -28.641 -3.612 -19.028 3 2HA GLY 1 2HA GLY 1 -28.853 -5.128 -18.165 4 H SER 2 H SER 2 -27.391 -4.797 -20.580 5 HA SER 2 HA SER 2 -28.835 -5.497 -22.880 6 1HB SER 2 1HB SER 2 -25.972 -5.682 -22.048 7 2HB SER 2 2HB SER 2 -26.481 -6.559 -23.491 8 HG SER 2 HG SER 2 -25.932 -3.981 -23.261 9 H SER 3 H SER 3 -26.916 -7.596 -20.726 10 HA SER 3 HA SER 3 -28.361 -9.915 -21.795 11 1HB SER 3 1HB SER 3 -25.764 -9.659 -20.277 12 2HB SER 3 2HB SER 3 -26.551 -11.212 -20.554 13 HG SER 3 HG SER 3 -26.534 -10.254 -22.886 14 H GLY 4 H GLY 4 -29.817 -8.274 -20.092 15 1HA GLY 4 1HA GLY 4 -31.004 -8.248 -18.117 16 2HA GLY 4 2HA GLY 4 -30.996 -9.993 -18.328 17 H SER 5 H SER 5 -28.251 -7.862 -17.656 18 HA SER 5 HA SER 5 -28.116 -8.721 -14.897 19 1HB SER 5 1HB SER 5 -27.010 -10.514 -16.432 20 2HB SER 5 2HB SER 5 -25.704 -9.339 -16.580 21 HG SER 5 HG SER 5 -25.369 -10.803 -14.846 22 H SER 6 H SER 6 -26.866 -7.386 -13.628 23 HA SER 6 HA SER 6 -26.568 -4.764 -14.210 24 1HB SER 6 1HB SER 6 -24.804 -4.673 -12.442 25 2HB SER 6 2HB SER 6 -26.231 -5.589 -11.959 26 HG SER 6 HG SER 6 -25.103 -7.489 -12.356 27 H GLY 7 H GLY 7 -23.941 -7.161 -14.526 28 1HA GLY 7 1HA GLY 7 -22.651 -7.111 -16.624 29 2HA GLY 7 2HA GLY 7 -22.704 -5.358 -16.514 30 H MET 8 H MET 8 -21.234 -8.274 -15.296 31 HA MET 8 HA MET 8 -18.835 -6.894 -14.625 32 1HB MET 8 1HB MET 8 -20.494 -6.536 -12.642 33 2HB MET 8 2HB MET 8 -20.113 -8.208 -12.252 34 1HG MET 8 1HG MET 8 -18.069 -6.022 -12.554 35 2HG MET 8 2HG MET 8 -18.756 -6.548 -11.019 36 1HE MET 8 1HE MET 8 -17.691 -8.024 -9.575 37 2HE MET 8 2HE MET 8 -18.526 -9.386 -10.322 38 3HE MET 8 3HE MET 8 -16.797 -9.488 -9.987 39 H ASN 9 H ASN 9 -17.412 -8.283 -15.431 40 HA ASN 9 HA ASN 9 -17.929 -11.149 -15.300 41 1HB ASN 9 1HB ASN 9 -15.939 -11.312 -16.801 42 2HB ASN 9 2HB ASN 9 -17.229 -10.305 -17.453 43 1HD2 ASN 9 1HD2 ASN 9 -14.155 -10.461 -17.636 44 2HD2 ASN 9 2HD2 ASN 9 -13.674 -8.808 -17.487 45 H ARG 10 H ARG 10 -16.689 -12.608 -14.202 46 HA ARG 10 HA ARG 10 -15.037 -11.536 -12.073 47 1HB ARG 10 1HB ARG 10 -16.058 -14.303 -12.706 48 2HB ARG 10 2HB ARG 10 -14.938 -13.987 -11.387 49 1HG ARG 10 1HG ARG 10 -16.525 -12.640 -10.248 50 2HG ARG 10 2HG ARG 10 -17.605 -12.624 -11.644 51 1HD ARG 10 1HD ARG 10 -17.833 -15.097 -11.401 52 2HD ARG 10 2HD ARG 10 -16.903 -14.985 -9.907 53 HE ARG 10 HE ARG 10 -19.214 -13.270 -9.985 54 1HH1 ARG 10 2HH1 ARG 10 -18.010 -16.442 -9.206 55 2HH1 ARG 10 1HH1 ARG 10 -19.282 -16.791 -8.082 56 1HH2 ARG 10 2HH2 ARG 10 -20.893 -13.717 -8.508 57 2HH2 ARG 10 1HH2 ARG 10 -20.922 -15.241 -7.687 58 H THR 11 H THR 11 -12.881 -11.544 -12.022 59 HA THR 11 HA THR 11 -11.271 -13.469 -13.371 60 HB THR 11 HB THR 11 -11.869 -12.111 -15.326 61 HG1 THR 11 1HG THR 11 -9.855 -12.896 -15.569 62 1HG2 THR 11 1HG2 THR 11 -12.143 -9.910 -15.105 63 2HG2 THR 11 2HG2 THR 11 -10.398 -9.751 -14.906 64 3HG2 THR 11 3HG2 THR 11 -11.433 -9.945 -13.492 65 H ALA 12 H ALA 12 -9.219 -13.511 -12.567 66 HA ALA 12 HA ALA 12 -8.668 -12.154 -10.171 67 1HB ALA 12 1HB ALA 12 -7.596 -14.209 -10.430 68 2HB ALA 12 2HB ALA 12 -6.983 -13.794 -12.032 69 3HB ALA 12 3HB ALA 12 -6.295 -13.031 -10.599 70 H MET 13 H MET 13 -7.837 -10.210 -9.762 71 HA MET 13 HA MET 13 -6.611 -8.730 -11.995 72 1HB MET 13 1HB MET 13 -8.789 -7.853 -11.060 73 2HB MET 13 2HB MET 13 -7.931 -7.529 -9.560 74 1HG MET 13 1HG MET 13 -7.869 -5.487 -10.613 75 2HG MET 13 2HG MET 13 -6.312 -6.183 -11.055 76 1HE MET 13 1HE MET 13 -8.861 -4.122 -13.792 77 2HE MET 13 2HE MET 13 -9.888 -4.981 -12.644 78 3HE MET 13 3HE MET 13 -8.558 -3.979 -12.060 79 H ARG 14 H ARG 14 -4.534 -8.215 -11.809 80 HA ARG 14 HA ARG 14 -3.326 -8.235 -9.121 81 1HB ARG 14 1HB ARG 14 -2.165 -9.122 -11.763 82 2HB ARG 14 2HB ARG 14 -1.197 -8.879 -10.315 83 1HG ARG 14 1HG ARG 14 -2.916 -10.528 -9.243 84 2HG ARG 14 2HG ARG 14 -3.204 -10.993 -10.921 85 1HD ARG 14 1HD ARG 14 -0.417 -10.830 -9.842 86 2HD ARG 14 2HD ARG 14 -1.410 -12.255 -9.539 87 HE ARG 14 HE ARG 14 -0.082 -11.611 -11.951 88 1HH1 ARG 14 2HH1 ARG 14 -3.048 -12.972 -10.739 89 2HH1 ARG 14 1HH1 ARG 14 -3.322 -13.955 -12.140 90 1HH2 ARG 14 2HH2 ARG 14 -0.431 -12.900 -13.800 91 2HH2 ARG 14 1HH2 ARG 14 -1.832 -13.914 -13.880 92 H ALA 15 H ALA 15 -1.955 -6.589 -8.566 93 HA ALA 15 HA ALA 15 -1.854 -4.326 -10.444 94 1HB ALA 15 1HB ALA 15 -2.501 -3.057 -8.746 95 2HB ALA 15 2HB ALA 15 -2.576 -4.486 -7.714 96 3HB ALA 15 3HB ALA 15 -1.085 -3.550 -7.815 97 H SER 16 H SER 16 0.071 -3.183 -10.755 98 HA SER 16 HA SER 16 2.498 -4.668 -9.992 99 1HB SER 16 1HB SER 16 1.723 -3.196 -12.476 100 2HB SER 16 2HB SER 16 3.427 -3.257 -12.027 101 HG SER 16 HG SER 16 3.314 -5.103 -13.055 102 H GLN 17 H GLN 17 4.503 -3.104 -10.174 103 HA GLN 17 HA GLN 17 4.406 -1.357 -8.021 104 1HB GLN 17 1HB GLN 17 6.429 -2.402 -9.298 105 2HB GLN 17 2HB GLN 17 6.360 -0.927 -10.253 106 1HG GLN 17 1HG GLN 17 6.386 -0.687 -7.294 107 2HG GLN 17 2HG GLN 17 7.881 -1.129 -8.115 108 1HE2 GLN 17 1HE2 GLN 17 6.040 1.392 -7.037 109 2HE2 GLN 17 2HE2 GLN 17 6.723 2.665 -7.984 110 H LYS 18 H LYS 18 4.504 -0.514 -11.485 111 HA LYS 18 HA LYS 18 4.350 2.206 -11.350 112 1HB LYS 18 1HB LYS 18 4.324 0.544 -13.389 113 2HB LYS 18 2HB LYS 18 2.586 0.796 -13.313 114 1HG LYS 18 1HG LYS 18 3.277 3.328 -13.291 115 2HG LYS 18 2HG LYS 18 4.751 2.702 -14.032 116 1HD LYS 18 1HD LYS 18 2.058 1.909 -15.079 117 2HD LYS 18 2HD LYS 18 2.794 3.440 -15.557 118 1HE LYS 18 1HE LYS 18 3.500 1.994 -17.224 119 2HE LYS 18 2HE LYS 18 4.866 1.994 -16.110 120 1HZ LYS 18 1HZ LYS 18 2.964 -0.012 -15.429 121 2HZ LYS 18 2HZ LYS 18 4.617 -0.168 -15.752 122 3HZ LYS 18 3HZ LYS 18 3.500 -0.201 -17.022 123 H ASP 19 H ASP 19 1.608 -0.052 -11.223 124 HA ASP 19 HA ASP 19 -0.435 1.842 -11.040 125 1HB ASP 19 1HB ASP 19 -0.160 -1.023 -10.232 126 2HB ASP 19 2HB ASP 19 -1.573 -0.121 -9.691 127 H PHE 20 H PHE 20 1.720 0.546 -8.603 128 HA PHE 20 HA PHE 20 0.314 1.485 -6.334 129 1HB PHE 20 1HB PHE 20 2.041 -0.251 -6.182 130 2HB PHE 20 2HB PHE 20 3.267 0.916 -6.669 131 HD1 PHE 20 1HD PHE 20 3.825 2.811 -5.156 132 HD2 PHE 20 2HD PHE 20 1.311 -0.404 -3.946 133 HE1 PHE 20 1HE PHE 20 4.179 3.425 -2.800 134 HE2 PHE 20 2HE PHE 20 1.660 0.206 -1.588 135 HZ PHE 20 HZ PHE 20 3.095 2.123 -1.012 136 H GLU 21 H GLU 21 3.282 2.761 -7.853 137 HA GLU 21 HA GLU 21 3.551 5.081 -6.415 138 1HB GLU 21 1HB GLU 21 4.293 4.270 -9.178 139 2HB GLU 21 2HB GLU 21 4.395 5.980 -8.785 140 1HG GLU 21 1HG GLU 21 5.666 3.940 -7.011 141 2HG GLU 21 2HG GLU 21 6.473 4.482 -8.481 142 H ASN 22 H ASN 22 1.234 4.347 -8.902 143 HA ASN 22 HA ASN 22 0.412 7.074 -9.303 144 1HB ASN 22 1HB ASN 22 -0.705 4.416 -10.190 145 2HB ASN 22 2HB ASN 22 -1.524 5.938 -10.530 146 1HD2 ASN 22 1HD2 ASN 22 -0.177 3.876 -12.240 147 2HD2 ASN 22 2HD2 ASN 22 0.917 4.779 -13.225 148 H SER 23 H SER 23 -0.858 4.251 -7.579 149 HA SER 23 HA SER 23 -3.257 5.412 -6.698 150 1HB SER 23 1HB SER 23 -1.564 3.158 -5.631 151 2HB SER 23 2HB SER 23 -3.061 3.648 -4.837 152 HG SER 23 HG SER 23 -3.016 3.094 -7.598 153 H MET 24 H MET 24 -0.126 5.088 -5.029 154 HA MET 24 HA MET 24 -0.804 6.384 -2.667 155 1HB MET 24 1HB MET 24 1.659 6.905 -2.508 156 2HB MET 24 2HB MET 24 1.264 5.212 -2.773 157 1HG MET 24 1HG MET 24 2.130 5.190 -4.876 158 2HG MET 24 2HG MET 24 1.792 6.897 -5.153 159 1HE MET 24 1HE MET 24 5.086 7.736 -5.729 160 2HE MET 24 2HE MET 24 3.349 8.009 -5.869 161 3HE MET 24 3HE MET 24 4.278 8.850 -4.626 162 H ASN 25 H ASN 25 0.189 7.707 -5.772 163 HA ASN 25 HA ASN 25 0.626 10.359 -4.962 164 1HB ASN 25 1HB ASN 25 1.247 9.327 -7.186 165 2HB ASN 25 2HB ASN 25 -0.442 9.499 -7.653 166 1HD2 ASN 25 1HD2 ASN 25 0.308 10.846 -9.364 167 2HD2 ASN 25 2HD2 ASN 25 0.698 12.502 -9.064 168 H GLN 26 H GLN 26 -2.285 8.807 -6.294 169 HA GLN 26 HA GLN 26 -3.979 10.974 -6.374 170 1HB GLN 26 1HB GLN 26 -4.614 8.112 -5.645 171 2HB GLN 26 2HB GLN 26 -5.828 9.328 -6.020 172 1HG GLN 26 1HG GLN 26 -4.734 9.604 -8.253 173 2HG GLN 26 2HG GLN 26 -3.730 8.209 -7.857 174 1HE2 GLN 26 1HE2 GLN 26 -7.172 9.047 -7.579 175 2HE2 GLN 26 2HE2 GLN 26 -7.758 7.598 -8.314 176 H VAL 27 H VAL 27 -3.219 8.897 -3.610 177 HA VAL 27 HA VAL 27 -5.043 10.002 -1.789 178 HB VAL 27 HB VAL 27 -2.330 8.831 -1.157 179 1HG1 VAL 27 1HG1 VAL 27 -4.044 10.116 0.535 180 2HG1 VAL 27 2HG1 VAL 27 -4.547 8.434 0.711 181 3HG1 VAL 27 3HG1 VAL 27 -2.871 8.891 1.017 182 1HG2 VAL 27 1HG2 VAL 27 -4.289 7.555 -2.521 183 2HG2 VAL 27 2HG2 VAL 27 -3.139 6.750 -1.453 184 3HG2 VAL 27 3HG2 VAL 27 -4.744 7.177 -0.859 185 H LYS 28 H LYS 28 -1.881 11.058 -2.844 186 HA LYS 28 HA LYS 28 -1.665 13.078 -0.783 187 1HB LYS 28 1HB LYS 28 0.026 12.530 -3.229 188 2HB LYS 28 2HB LYS 28 0.400 13.735 -2.004 189 1HG LYS 28 1HG LYS 28 0.312 11.768 -0.348 190 2HG LYS 28 2HG LYS 28 0.444 10.751 -1.785 191 1HD LYS 28 1HD LYS 28 2.359 13.010 -1.322 192 2HD LYS 28 2HD LYS 28 2.602 11.446 -0.540 193 1HE LYS 28 1HE LYS 28 2.643 10.343 -2.699 194 2HE LYS 28 2HE LYS 28 2.300 11.870 -3.512 195 1HZ LYS 28 1HZ LYS 28 4.629 11.837 -1.772 196 2HZ LYS 28 2HZ LYS 28 4.414 12.571 -3.280 197 3HZ LYS 28 3HZ LYS 28 4.750 10.916 -3.186 198 H LEU 29 H LEU 29 -3.048 12.799 -3.890 199 HA LEU 29 HA LEU 29 -2.848 15.529 -4.686 200 1HB LEU 29 1HB LEU 29 -4.318 13.125 -5.602 201 2HB LEU 29 2HB LEU 29 -4.960 14.694 -6.083 202 HG LEU 29 HG LEU 29 -3.171 15.157 -7.455 203 1HD1 LEU 29 1HD1 LEU 29 -1.077 13.494 -7.163 204 2HD1 LEU 29 2HD1 LEU 29 -1.656 13.558 -5.499 205 3HD1 LEU 29 3HD1 LEU 29 -1.218 15.046 -6.338 206 1HD2 LEU 29 1HD2 LEU 29 -4.474 12.975 -8.021 207 2HD2 LEU 29 2HD2 LEU 29 -2.941 12.184 -7.651 208 3HD2 LEU 29 3HD2 LEU 29 -3.024 13.392 -8.934 209 H LEU 30 H LEU 30 -5.414 13.591 -3.177 210 HA LEU 30 HA LEU 30 -7.352 15.609 -3.035 211 1HB LEU 30 1HB LEU 30 -8.499 14.224 -1.496 212 2HB LEU 30 2HB LEU 30 -7.705 13.162 -2.657 213 HG LEU 30 HG LEU 30 -5.843 13.054 -0.807 214 1HD1 LEU 30 1HD1 LEU 30 -6.679 14.646 0.731 215 2HD1 LEU 30 2HD1 LEU 30 -6.953 13.061 1.454 216 3HD1 LEU 30 3HD1 LEU 30 -8.291 13.932 0.705 217 1HD2 LEU 30 1HD2 LEU 30 -7.134 11.144 0.237 218 2HD2 LEU 30 2HD2 LEU 30 -6.943 11.090 -1.515 219 3HD2 LEU 30 3HD2 LEU 30 -8.477 11.603 -0.810 220 H LYS 31 H LYS 31 -7.924 17.066 -1.438 221 HA LYS 31 HA LYS 31 -5.849 17.589 0.589 222 1HB LYS 31 1HB LYS 31 -7.506 19.430 -1.097 223 2HB LYS 31 2HB LYS 31 -6.918 19.977 0.468 224 1HG LYS 31 1HG LYS 31 -4.991 18.767 -1.452 225 2HG LYS 31 2HG LYS 31 -5.549 20.420 -1.716 226 1HD LYS 31 1HD LYS 31 -4.606 19.647 1.002 227 2HD LYS 31 2HD LYS 31 -3.407 19.914 -0.265 228 1HE LYS 31 1HE LYS 31 -4.191 22.148 -0.622 229 2HE LYS 31 2HE LYS 31 -5.566 21.891 0.451 230 1HZ LYS 31 1HZ LYS 31 -4.314 22.628 2.103 231 2HZ LYS 31 2HZ LYS 31 -2.959 22.749 1.099 232 3HZ LYS 31 3HZ LYS 31 -3.282 21.301 1.912 233 H LYS 32 H LYS 32 -8.658 16.146 0.414 234 HA LYS 32 HA LYS 32 -9.940 17.492 2.676 235 1HB LYS 32 1HB LYS 32 -11.548 17.026 1.046 236 2HB LYS 32 2HB LYS 32 -10.851 15.455 0.670 237 1HG LYS 32 1HG LYS 32 -11.908 14.415 2.397 238 2HG LYS 32 2HG LYS 32 -11.946 15.869 3.397 239 1HD LYS 32 1HD LYS 32 -14.154 15.749 2.829 240 2HD LYS 32 2HD LYS 32 -13.561 16.704 1.468 241 1HE LYS 32 1HE LYS 32 -14.780 15.094 0.374 242 2HE LYS 32 2HE LYS 32 -13.181 14.354 0.379 243 1HZ LYS 32 1HZ LYS 32 -13.812 13.040 2.286 244 2HZ LYS 32 2HZ LYS 32 -14.924 12.795 1.036 245 3HZ LYS 32 3HZ LYS 32 -15.330 13.783 2.348 246 H ASP 33 H ASP 33 -8.248 16.821 4.157 247 HA ASP 33 HA ASP 33 -7.254 14.419 4.778 248 1HB ASP 33 1HB ASP 33 -7.397 15.052 7.200 249 2HB ASP 33 2HB ASP 33 -6.751 16.320 6.161 250 HA PRO 34 HA PRO 34 -11.003 11.949 5.114 251 1HB PRO 34 1HB PRO 34 -9.703 9.566 5.064 252 2HB PRO 34 2HB PRO 34 -10.044 10.505 3.606 253 1HG PRO 34 1HG PRO 34 -7.511 10.322 5.191 254 2HG PRO 34 2HG PRO 34 -7.734 10.312 3.432 255 1HD PRO 34 1HD PRO 34 -6.957 12.522 4.789 256 2HD PRO 34 2HD PRO 34 -7.950 12.604 3.319 257 H GLY 35 H GLY 35 -8.012 11.207 6.917 258 1HA GLY 35 1HA GLY 35 -8.614 11.598 9.447 259 2HA GLY 35 2HA GLY 35 -9.622 10.192 9.141 260 H ASN 36 H ASN 36 -7.304 10.570 10.945 261 HA ASN 36 HA ASN 36 -4.980 9.372 10.035 262 1HB ASN 36 1HB ASN 36 -6.291 9.644 12.694 263 2HB ASN 36 2HB ASN 36 -4.975 8.483 12.556 264 1HD2 ASN 36 1HD2 ASN 36 -3.408 9.497 13.652 265 2HD2 ASN 36 2HD2 ASN 36 -2.761 11.045 13.237 266 H GLU 37 H GLU 37 -8.063 8.002 10.361 267 HA GLU 37 HA GLU 37 -7.436 5.336 10.996 268 1HB GLU 37 1HB GLU 37 -9.622 4.781 10.225 269 2HB GLU 37 2HB GLU 37 -9.730 6.366 10.977 270 1HG GLU 37 1HG GLU 37 -9.576 7.375 8.705 271 2HG GLU 37 2HG GLU 37 -9.677 5.748 8.035 272 H VAL 38 H VAL 38 -7.819 6.949 7.851 273 HA VAL 38 HA VAL 38 -7.028 4.583 6.402 274 HB VAL 38 HB VAL 38 -8.623 6.009 5.328 275 1HG1 VAL 38 1HG1 VAL 38 -8.171 8.103 6.407 276 2HG1 VAL 38 2HG1 VAL 38 -6.577 8.198 5.656 277 3HG1 VAL 38 3HG1 VAL 38 -8.029 8.333 4.664 278 1HG2 VAL 38 1HG2 VAL 38 -6.868 4.902 3.932 279 2HG2 VAL 38 2HG2 VAL 38 -7.599 6.325 3.190 280 3HG2 VAL 38 3HG2 VAL 38 -5.995 6.434 3.915 281 H LYS 39 H LYS 39 -5.596 7.722 7.198 282 HA LYS 39 HA LYS 39 -3.297 7.698 5.726 283 1HB LYS 39 1HB LYS 39 -3.966 8.723 8.445 284 2HB LYS 39 2HB LYS 39 -2.278 8.733 7.948 285 1HG LYS 39 1HG LYS 39 -2.910 10.808 7.260 286 2HG LYS 39 2HG LYS 39 -3.262 9.884 5.798 287 1HD LYS 39 1HD LYS 39 -5.554 9.929 6.170 288 2HD LYS 39 2HD LYS 39 -5.367 10.254 7.895 289 1HE LYS 39 1HE LYS 39 -6.168 12.236 6.757 290 2HE LYS 39 2HE LYS 39 -4.533 12.505 7.359 291 1HZ LYS 39 1HZ LYS 39 -4.980 13.298 5.041 292 2HZ LYS 39 2HZ LYS 39 -5.106 11.678 4.571 293 3HZ LYS 39 3HZ LYS 39 -3.649 12.265 5.199 294 H LEU 40 H LEU 40 -4.153 5.571 8.299 295 HA LEU 40 HA LEU 40 -1.430 4.636 8.694 296 1HB LEU 40 1HB LEU 40 -4.076 3.873 9.899 297 2HB LEU 40 2HB LEU 40 -2.592 2.983 10.232 298 HG LEU 40 HG LEU 40 -2.755 5.931 10.750 299 1HD1 LEU 40 1HD1 LEU 40 -4.396 5.557 12.219 300 2HD1 LEU 40 2HD1 LEU 40 -3.155 4.773 13.195 301 3HD1 LEU 40 3HD1 LEU 40 -4.192 3.807 12.145 302 1HD2 LEU 40 1HD2 LEU 40 -0.906 5.597 12.095 303 2HD2 LEU 40 2HD2 LEU 40 -0.618 4.458 10.779 304 3HD2 LEU 40 3HD2 LEU 40 -1.249 3.882 12.323 305 H LYS 41 H LYS 41 -4.513 3.362 7.474 306 HA LYS 41 HA LYS 41 -3.643 0.801 6.796 307 1HB LYS 41 1HB LYS 41 -5.662 0.547 5.733 308 2HB LYS 41 2HB LYS 41 -6.025 1.937 6.748 309 1HG LYS 41 1HG LYS 41 -5.679 3.437 4.892 310 2HG LYS 41 2HG LYS 41 -5.174 2.094 3.864 311 1HD LYS 41 1HD LYS 41 -7.610 2.981 3.702 312 2HD LYS 41 2HD LYS 41 -7.321 1.239 3.705 313 1HE LYS 41 1HE LYS 41 -7.869 1.109 6.049 314 2HE LYS 41 2HE LYS 41 -8.013 2.863 6.150 315 1HZ LYS 41 1HZ LYS 41 -10.189 2.038 5.984 316 2HZ LYS 41 2HZ LYS 41 -9.795 0.970 4.734 317 3HZ LYS 41 3HZ LYS 41 -9.832 2.636 4.443 318 H LEU 42 H LEU 42 -3.098 3.850 5.248 319 HA LEU 42 HA LEU 42 -2.255 2.681 2.739 320 1HB LEU 42 1HB LEU 42 -2.541 5.422 3.841 321 2HB LEU 42 2HB LEU 42 -1.396 5.188 2.522 322 HG LEU 42 HG LEU 42 -3.495 5.943 1.628 323 1HD1 LEU 42 1HD1 LEU 42 -3.716 4.408 -0.076 324 2HD1 LEU 42 2HD1 LEU 42 -3.517 3.024 0.998 325 3HD1 LEU 42 3HD1 LEU 42 -2.121 4.009 0.562 326 1HD2 LEU 42 1HD2 LEU 42 -4.706 4.773 3.695 327 2HD2 LEU 42 2HD2 LEU 42 -4.976 3.524 2.479 328 3HD2 LEU 42 3HD2 LEU 42 -5.549 5.169 2.198 329 H TYR 43 H TYR 43 -0.814 3.756 5.717 330 HA TYR 43 HA TYR 43 1.877 3.757 4.659 331 1HB TYR 43 1HB TYR 43 1.833 5.280 6.358 332 2HB TYR 43 2HB TYR 43 0.589 4.411 7.250 333 HD1 TYR 43 1HD TYR 43 4.174 4.827 6.718 334 HD2 TYR 43 2HD TYR 43 1.195 2.584 8.768 335 HE1 TYR 43 1HE TYR 43 5.892 3.954 8.246 336 HE2 TYR 43 2HE TYR 43 2.904 1.705 10.302 337 HH TYR 43 HH TYR 43 5.034 1.889 10.986 338 H ALA 44 H ALA 44 -0.228 1.599 6.426 339 HA ALA 44 HA ALA 44 1.650 -0.216 7.416 340 1HB ALA 44 1HB ALA 44 -0.306 -1.874 7.193 341 2HB ALA 44 2HB ALA 44 -0.510 -0.471 8.243 342 3HB ALA 44 3HB ALA 44 -1.230 -0.479 6.633 343 H LEU 45 H LEU 45 -0.062 -0.179 4.302 344 HA LEU 45 HA LEU 45 1.186 -2.551 3.334 345 1HB LEU 45 1HB LEU 45 -0.423 -0.361 2.074 346 2HB LEU 45 2HB LEU 45 0.345 -1.602 1.085 347 HG LEU 45 HG LEU 45 -1.817 -2.393 1.332 348 1HD1 LEU 45 1HD1 LEU 45 -1.659 -4.372 2.601 349 2HD1 LEU 45 2HD1 LEU 45 -0.515 -3.650 3.732 350 3HD1 LEU 45 3HD1 LEU 45 -0.015 -4.006 2.079 351 1HD2 LEU 45 1HD2 LEU 45 -2.629 -0.762 2.912 352 2HD2 LEU 45 2HD2 LEU 45 -1.699 -1.507 4.213 353 3HD2 LEU 45 3HD2 LEU 45 -3.044 -2.381 3.478 354 H TYR 46 H TYR 46 1.727 0.912 2.779 355 HA TYR 46 HA TYR 46 3.648 0.882 0.846 356 1HB TYR 46 1HB TYR 46 2.945 2.995 1.615 357 2HB TYR 46 2HB TYR 46 3.354 2.621 3.286 358 HD1 TYR 46 1HD TYR 46 4.936 3.099 -0.058 359 HD2 TYR 46 2HD TYR 46 5.369 3.372 4.166 360 HE1 TYR 46 1HE TYR 46 7.123 4.184 -0.358 361 HE2 TYR 46 2HE TYR 46 7.556 4.459 3.877 362 HH TYR 46 HH TYR 46 8.647 5.620 0.852 363 H LYS 47 H LYS 47 4.245 0.558 4.342 364 HA LYS 47 HA LYS 47 7.033 0.036 4.006 365 1HB LYS 47 1HB LYS 47 5.290 -0.536 6.408 366 2HB LYS 47 2HB LYS 47 7.044 -0.422 6.391 367 1HG LYS 47 1HG LYS 47 5.366 1.898 5.531 368 2HG LYS 47 2HG LYS 47 5.658 1.578 7.242 369 1HD LYS 47 1HD LYS 47 7.984 1.611 5.382 370 2HD LYS 47 2HD LYS 47 7.253 3.150 5.844 371 1HE LYS 47 1HE LYS 47 7.431 2.119 8.262 372 2HE LYS 47 2HE LYS 47 8.697 1.148 7.512 373 1HZ LYS 47 1HZ LYS 47 9.767 3.215 6.793 374 2HZ LYS 47 2HZ LYS 47 9.636 3.126 8.477 375 3HZ LYS 47 3HZ LYS 47 8.581 4.114 7.597 376 H GLN 48 H GLN 48 4.263 -1.840 3.589 377 HA GLN 48 HA GLN 48 5.523 -4.365 4.274 378 1HB GLN 48 1HB GLN 48 3.032 -3.775 4.583 379 2HB GLN 48 2HB GLN 48 2.891 -4.053 2.852 380 1HG GLN 48 1HG GLN 48 2.306 -6.098 3.705 381 2HG GLN 48 2HG GLN 48 4.025 -6.323 3.386 382 1HE2 GLN 48 1HE2 GLN 48 3.936 -8.043 4.927 383 2HE2 GLN 48 2HE2 GLN 48 4.000 -7.699 6.619 384 H ALA 49 H ALA 49 4.778 -2.452 1.447 385 HA ALA 49 HA ALA 49 5.655 -4.597 -0.336 386 1HB ALA 49 1HB ALA 49 5.103 -2.526 -1.989 387 2HB ALA 49 2HB ALA 49 3.916 -3.718 -1.457 388 3HB ALA 49 3HB ALA 49 4.035 -2.164 -0.633 389 H THR 50 H THR 50 7.287 -2.673 1.526 390 HA THR 50 HA THR 50 9.384 -2.178 -0.471 391 HB THR 50 HB THR 50 9.988 -0.068 0.682 392 HG1 THR 50 1HG THR 50 7.524 -0.505 2.053 393 1HG2 THR 50 1HG2 THR 50 8.827 0.522 -1.183 394 2HG2 THR 50 2HG2 THR 50 7.665 1.091 0.015 395 3HG2 THR 50 3HG2 THR 50 7.435 -0.475 -0.763 396 H GLU 51 H GLU 51 8.607 -2.382 2.990 397 HA GLU 51 HA GLU 51 11.356 -3.276 3.509 398 1HB GLU 51 1HB GLU 51 9.267 -2.496 5.544 399 2HB GLU 51 2HB GLU 51 10.990 -2.719 5.815 400 1HG GLU 51 1HG GLU 51 11.328 -0.802 4.174 401 2HG GLU 51 2HG GLU 51 9.603 -0.494 4.362 402 H GLY 52 H GLY 52 8.057 -4.308 3.472 403 1HA GLY 52 1HA GLY 52 7.455 -6.600 3.341 404 2HA GLY 52 2HA GLY 52 8.936 -7.010 4.194 405 HA PRO 53 HA PRO 53 5.739 -7.559 7.367 406 1HB PRO 53 1HB PRO 53 7.201 -9.319 8.829 407 2HB PRO 53 2HB PRO 53 6.262 -9.796 7.409 408 1HG PRO 53 1HG PRO 53 9.195 -9.240 7.642 409 2HG PRO 53 2HG PRO 53 8.369 -10.547 6.773 410 1HD PRO 53 1HD PRO 53 9.316 -8.338 5.525 411 2HD PRO 53 2HD PRO 53 7.867 -9.201 4.970 412 H CYS 54 H CYS 54 5.528 -6.564 9.313 413 HA CYS 54 HA CYS 54 7.109 -4.500 10.113 414 1HB CYS 54 1HB CYS 54 4.997 -4.652 11.132 415 2HB CYS 54 2HB CYS 54 5.283 -6.297 11.687 416 HG CYS 54 HG CYS 54 7.068 -5.581 13.691 417 H ASN 55 H ASN 55 9.265 -4.643 10.324 418 HA ASN 55 HA ASN 55 10.325 -6.689 12.161 419 1HB ASN 55 1HB ASN 55 12.526 -6.031 10.794 420 2HB ASN 55 2HB ASN 55 11.419 -7.285 10.242 421 1HD2 ASN 55 1HD2 ASN 55 11.976 -3.796 10.002 422 2HD2 ASN 55 2HD2 ASN 55 11.489 -3.658 8.350 423 H MET 56 H MET 56 9.346 -3.809 12.508 424 HA MET 56 HA MET 56 11.801 -2.583 13.536 425 1HB MET 56 1HB MET 56 10.228 -0.593 13.898 426 2HB MET 56 2HB MET 56 10.617 -1.026 12.238 427 1HG MET 56 1HG MET 56 8.502 -2.061 11.926 428 2HG MET 56 2HG MET 56 8.126 -1.945 13.643 429 1HE MET 56 1HE MET 56 8.603 0.276 14.787 430 2HE MET 56 2HE MET 56 9.051 1.708 13.860 431 3HE MET 56 3HE MET 56 7.394 1.509 14.431 432 HA PRO 57 HA PRO 57 10.879 -3.397 17.749 433 1HB PRO 57 1HB PRO 57 11.786 -1.138 18.952 434 2HB PRO 57 2HB PRO 57 12.863 -2.361 18.267 435 1HG PRO 57 1HG PRO 57 11.962 0.242 17.093 436 2HG PRO 57 2HG PRO 57 13.579 -0.485 17.093 437 1HD PRO 57 1HD PRO 57 11.932 -0.597 14.947 438 2HD PRO 57 2HD PRO 57 13.085 -1.890 15.334 439 H LYS 58 H LYS 58 9.168 -3.237 19.083 440 HA LYS 58 HA LYS 58 6.961 -1.613 18.419 441 1HB LYS 58 1HB LYS 58 6.931 -3.838 19.642 442 2HB LYS 58 2HB LYS 58 7.417 -2.955 21.083 443 1HG LYS 58 1HG LYS 58 5.394 -1.763 21.166 444 2HG LYS 58 2HG LYS 58 4.960 -2.230 19.520 445 1HD LYS 58 1HD LYS 58 4.797 -4.583 20.278 446 2HD LYS 58 2HD LYS 58 5.119 -4.043 21.928 447 1HE LYS 58 1HE LYS 58 3.108 -2.494 21.616 448 2HE LYS 58 2HE LYS 58 2.731 -3.470 20.198 449 1HZ LYS 58 1HZ LYS 58 1.617 -4.727 21.651 450 2HZ LYS 58 2HZ LYS 58 2.428 -4.098 22.996 451 3HZ LYS 58 3HZ LYS 58 3.132 -5.340 22.089 452 HA PRO 59 HA PRO 59 8.264 2.145 20.404 453 1HB PRO 59 1HB PRO 59 5.957 3.514 19.985 454 2HB PRO 59 2HB PRO 59 7.154 3.235 18.714 455 1HG PRO 59 1HG PRO 59 4.602 1.771 19.268 456 2HG PRO 59 2HG PRO 59 5.274 2.299 17.714 457 1HD PRO 59 1HD PRO 59 5.475 -0.253 18.597 458 2HD PRO 59 2HD PRO 59 6.722 0.510 17.590 459 H GLY 60 H GLY 60 7.339 3.639 22.097 460 1HA GLY 60 1HA GLY 60 6.182 2.008 24.221 461 2HA GLY 60 2HA GLY 60 6.919 3.591 24.409 462 H VAL 61 H VAL 61 4.318 2.489 25.347 463 HA VAL 61 HA VAL 61 2.084 3.309 24.044 464 HB VAL 61 HB VAL 61 1.137 3.929 26.317 465 1HG1 VAL 61 1HG1 VAL 61 1.153 1.618 27.112 466 2HG1 VAL 61 2HG1 VAL 61 0.940 1.688 25.361 467 3HG1 VAL 61 3HG1 VAL 61 2.508 1.255 26.043 468 1HG2 VAL 61 1HG2 VAL 61 2.948 4.685 27.566 469 2HG2 VAL 61 2HG2 VAL 61 2.668 3.067 28.209 470 3HG2 VAL 61 3HG2 VAL 61 3.980 3.345 27.064 471 H PHE 62 H PHE 62 4.102 5.395 26.109 472 HA PHE 62 HA PHE 62 2.760 7.754 25.988 473 1HB PHE 62 1HB PHE 62 5.733 7.714 25.533 474 2HB PHE 62 2HB PHE 62 4.780 8.856 26.474 475 HD1 PHE 62 1HD PHE 62 7.231 6.691 26.943 476 HD2 PHE 62 2HD PHE 62 3.205 7.207 28.224 477 HE1 PHE 62 1HE PHE 62 7.720 5.409 28.984 478 HE2 PHE 62 2HE PHE 62 3.688 5.926 30.268 479 HZ PHE 62 HZ PHE 62 5.948 5.025 30.651 480 H ASP 63 H ASP 63 4.647 6.274 23.429 481 HA ASP 63 HA ASP 63 4.265 8.576 21.684 482 1HB ASP 63 1HB ASP 63 5.939 6.116 21.620 483 2HB ASP 63 2HB ASP 63 5.473 6.819 20.073 484 H LEU 64 H LEU 64 1.932 8.374 21.628 485 HA LEU 64 HA LEU 64 0.629 6.081 20.602 486 1HB LEU 64 1HB LEU 64 -0.345 8.927 20.477 487 2HB LEU 64 2HB LEU 64 -1.322 7.461 20.424 488 HG LEU 64 HG LEU 64 0.258 8.402 22.816 489 1HD1 LEU 64 1HD1 LEU 64 -1.417 9.914 22.900 490 2HD1 LEU 64 2HD1 LEU 64 -2.304 8.552 23.583 491 3HD1 LEU 64 3HD1 LEU 64 -2.485 8.955 21.876 492 1HD2 LEU 64 1HD2 LEU 64 -0.272 6.485 23.834 493 2HD2 LEU 64 2HD2 LEU 64 -0.590 5.863 22.214 494 3HD2 LEU 64 3HD2 LEU 64 -1.915 6.495 23.193 495 H ILE 65 H ILE 65 2.278 8.733 19.115 496 HA ILE 65 HA ILE 65 1.083 8.604 16.554 497 HB ILE 65 HB ILE 65 3.870 9.519 17.276 498 1HG1 ILE 65 1HG1 ILE 65 2.018 10.684 18.492 499 2HG1 ILE 65 2HG1 ILE 65 2.950 11.742 17.438 500 1HG2 ILE 65 1HG2 ILE 65 2.811 9.063 14.774 501 2HG2 ILE 65 2HG2 ILE 65 2.560 10.791 15.014 502 3HG2 ILE 65 3HG2 ILE 65 4.181 10.109 15.147 503 1HD1 ILE 65 1HD1 ILE 65 0.262 11.667 17.523 504 2HD1 ILE 65 2HD1 ILE 65 1.194 12.176 16.114 505 3HD1 ILE 65 3HD1 ILE 65 0.574 10.528 16.213 506 H ASN 66 H ASN 66 4.012 7.112 17.900 507 HA ASN 66 HA ASN 66 4.629 5.717 15.471 508 1HB ASN 66 1HB ASN 66 5.707 5.526 18.285 509 2HB ASN 66 2HB ASN 66 6.287 4.508 16.971 510 1HD2 ASN 66 1HD2 ASN 66 6.281 7.655 18.364 511 2HD2 ASN 66 2HD2 ASN 66 7.456 8.359 17.311 512 H LYS 67 H LYS 67 3.056 4.922 18.522 513 HA LYS 67 HA LYS 67 2.870 2.143 18.159 514 1HB LYS 67 1HB LYS 67 2.319 3.712 20.218 515 2HB LYS 67 2HB LYS 67 0.690 3.628 19.559 516 1HG LYS 67 1HG LYS 67 0.842 1.935 21.191 517 2HG LYS 67 2HG LYS 67 0.913 1.121 19.626 518 1HD LYS 67 1HD LYS 67 3.116 0.544 19.873 519 2HD LYS 67 2HD LYS 67 3.473 1.928 20.910 520 1HE LYS 67 1HE LYS 67 1.618 -0.172 21.918 521 2HE LYS 67 2HE LYS 67 3.345 -0.524 21.877 522 1HZ LYS 67 1HZ LYS 67 3.479 1.797 23.038 523 2HZ LYS 67 2HZ LYS 67 3.146 0.403 23.936 524 3HZ LYS 67 3HZ LYS 67 1.888 1.442 23.490 525 H ALA 68 H ALA 68 0.788 4.793 17.123 526 HA ALA 68 HA ALA 68 -1.416 3.328 16.251 527 1HB ALA 68 1HB ALA 68 -0.319 5.854 15.023 528 2HB ALA 68 2HB ALA 68 -1.967 5.242 14.876 529 3HB ALA 68 3HB ALA 68 -1.363 5.783 16.442 530 H LYS 69 H LYS 69 1.589 4.146 14.568 531 HA LYS 69 HA LYS 69 0.800 2.953 12.094 532 1HB LYS 69 1HB LYS 69 3.298 4.126 13.212 533 2HB LYS 69 2HB LYS 69 3.455 3.042 11.836 534 1HG LYS 69 1HG LYS 69 3.256 5.032 10.752 535 2HG LYS 69 2HG LYS 69 1.555 4.568 10.841 536 1HD LYS 69 1HD LYS 69 1.478 5.890 13.019 537 2HD LYS 69 2HD LYS 69 3.044 6.552 12.542 538 1HE LYS 69 1HE LYS 69 2.151 7.639 10.683 539 2HE LYS 69 2HE LYS 69 0.704 6.633 10.672 540 1HZ LYS 69 1HZ LYS 69 -0.161 7.761 12.528 541 2HZ LYS 69 2HZ LYS 69 0.420 8.974 11.501 542 3HZ LYS 69 3HZ LYS 69 1.310 8.525 12.868 543 H TRP 70 H TRP 70 3.079 1.973 14.652 544 HA TRP 70 HA TRP 70 4.000 -0.395 13.720 545 1HB TRP 70 1HB TRP 70 4.343 0.748 16.028 546 2HB TRP 70 2HB TRP 70 2.992 -0.257 16.548 547 HD1 TRP 70 HD TRP 70 6.576 -0.605 15.156 548 HE1 TRP 70 1HE TRP 70 7.508 -2.885 15.902 549 HE3 TRP 70 3HE TRP 70 2.379 -2.513 17.364 550 HZ2 TRP 70 2HZ TRP 70 6.586 -5.188 17.248 551 HZ3 TRP 70 3HZ TRP 70 2.487 -4.762 18.356 552 HH2 TRP 70 HH TRP 70 4.548 -6.071 18.298 553 H ASP 71 H ASP 71 0.864 0.093 15.312 554 HA ASP 71 HA ASP 71 0.057 -2.622 15.134 555 1HB ASP 71 1HB ASP 71 -1.349 -0.034 15.695 556 2HB ASP 71 2HB ASP 71 -2.290 -1.498 15.422 557 H ALA 72 H ALA 72 -0.073 0.079 12.952 558 HA ALA 72 HA ALA 72 -2.037 -1.043 11.193 559 1HB ALA 72 1HB ALA 72 -2.065 1.052 10.470 560 2HB ALA 72 2HB ALA 72 -0.645 1.429 11.446 561 3HB ALA 72 3HB ALA 72 -0.449 0.832 9.797 562 H TRP 73 H TRP 73 1.503 -0.787 11.155 563 HA TRP 73 HA TRP 73 1.727 -2.249 8.685 564 1HB TRP 73 1HB TRP 73 3.368 -0.517 9.281 565 2HB TRP 73 2HB TRP 73 3.852 -1.457 10.690 566 HD1 TRP 73 HD TRP 73 3.260 -3.559 7.648 567 HE1 TRP 73 1HE TRP 73 5.512 -4.313 6.657 568 HE3 TRP 73 3HE TRP 73 6.384 -0.546 10.349 569 HZ2 TRP 73 2HZ TRP 73 8.251 -3.710 6.978 570 HZ3 TRP 73 3HZ TRP 73 8.807 -0.697 9.947 571 HH2 TRP 73 HH TRP 73 9.719 -2.247 8.296 572 H ASN 74 H ASN 74 1.902 -2.956 12.104 573 HA ASN 74 HA ASN 74 3.131 -5.492 11.922 574 1HB ASN 74 1HB ASN 74 3.044 -4.361 14.047 575 2HB ASN 74 2HB ASN 74 1.284 -4.318 14.008 576 1HD2 ASN 74 1HD2 ASN 74 1.175 -5.380 15.993 577 2HD2 ASN 74 2HD2 ASN 74 1.488 -7.073 16.138 578 H ALA 75 H ALA 75 -0.293 -4.547 12.137 579 HA ALA 75 HA ALA 75 -1.572 -6.928 12.217 580 1HB ALA 75 1HB ALA 75 -2.938 -5.478 10.221 581 2HB ALA 75 2HB ALA 75 -3.291 -5.552 11.948 582 3HB ALA 75 3HB ALA 75 -2.223 -4.297 11.319 583 H LEU 76 H LEU 76 -0.037 -5.504 9.371 584 HA LEU 76 HA LEU 76 -0.921 -7.210 7.394 585 1HB LEU 76 1HB LEU 76 1.631 -5.725 7.828 586 2HB LEU 76 2HB LEU 76 1.499 -6.840 6.470 587 HG LEU 76 HG LEU 76 1.056 -4.397 5.981 588 1HD1 LEU 76 1HD1 LEU 76 -1.343 -5.274 4.937 589 2HD1 LEU 76 2HD1 LEU 76 -0.416 -6.758 5.158 590 3HD1 LEU 76 3HD1 LEU 76 0.246 -5.441 4.190 591 1HD2 LEU 76 1HD2 LEU 76 -0.244 -3.887 7.981 592 2HD2 LEU 76 2HD2 LEU 76 -1.500 -5.012 7.462 593 3HD2 LEU 76 3HD2 LEU 76 -1.174 -3.556 6.520 594 H GLY 77 H GLY 77 1.790 -7.676 9.638 595 1HA GLY 77 1HA GLY 77 2.720 -9.640 10.418 596 2HA GLY 77 2HA GLY 77 1.478 -10.523 9.543 597 H SER 78 H SER 78 2.574 -12.025 8.434 598 HA SER 78 HA SER 78 5.101 -11.406 7.169 599 1HB SER 78 1HB SER 78 4.710 -13.607 8.239 600 2HB SER 78 2HB SER 78 3.453 -13.944 7.050 601 HG SER 78 HG SER 78 6.183 -14.062 6.805 602 H LEU 79 H LEU 79 2.901 -9.886 6.204 603 HA LEU 79 HA LEU 79 1.914 -10.952 3.758 604 1HB LEU 79 1HB LEU 79 1.015 -9.014 5.233 605 2HB LEU 79 2HB LEU 79 2.140 -8.020 4.309 606 HG LEU 79 HG LEU 79 -0.187 -7.941 3.465 607 1HD1 LEU 79 1HD1 LEU 79 1.594 -9.267 1.444 608 2HD1 LEU 79 2HD1 LEU 79 1.901 -7.637 2.043 609 3HD1 LEU 79 3HD1 LEU 79 0.397 -7.995 1.194 610 1HD2 LEU 79 1HD2 LEU 79 -0.070 -10.715 3.826 611 2HD2 LEU 79 2HD2 LEU 79 -0.158 -10.460 2.083 612 3HD2 LEU 79 3HD2 LEU 79 -1.394 -9.775 3.139 613 HA PRO 80 HA PRO 80 5.644 -10.343 1.405 614 1HB PRO 80 1HB PRO 80 4.611 -11.153 -0.971 615 2HB PRO 80 2HB PRO 80 5.081 -12.281 0.306 616 1HG PRO 80 1HG PRO 80 2.363 -11.244 -0.401 617 2HG PRO 80 2HG PRO 80 2.856 -12.895 0.021 618 1HD PRO 80 1HD PRO 80 1.662 -11.233 1.795 619 2HD PRO 80 2HD PRO 80 2.859 -12.450 2.283 620 H LYS 81 H LYS 81 6.138 -9.284 -0.781 621 HA LYS 81 HA LYS 81 5.054 -6.630 -0.735 622 1HB LYS 81 1HB LYS 81 6.877 -7.762 -2.851 623 2HB LYS 81 2HB LYS 81 6.712 -6.086 -2.344 624 1HG LYS 81 1HG LYS 81 7.596 -8.070 -0.321 625 2HG LYS 81 2HG LYS 81 8.741 -7.587 -1.575 626 1HD LYS 81 1HD LYS 81 8.484 -5.259 -0.959 627 2HD LYS 81 2HD LYS 81 7.242 -5.680 0.222 628 1HE LYS 81 1HE LYS 81 10.190 -6.052 0.338 629 2HE LYS 81 2HE LYS 81 9.070 -5.518 1.591 630 1HZ LYS 81 1HZ LYS 81 9.832 -7.676 2.164 631 2HZ LYS 81 2HZ LYS 81 9.492 -8.290 0.625 632 3HZ LYS 81 3HZ LYS 81 8.227 -7.843 1.655 633 H GLU 82 H GLU 82 4.839 -9.414 -2.898 634 HA GLU 82 HA GLU 82 3.528 -8.241 -5.045 635 1HB GLU 82 1HB GLU 82 2.592 -10.523 -5.468 636 2HB GLU 82 2HB GLU 82 4.333 -10.488 -5.228 637 1HG GLU 82 1HG GLU 82 4.000 -11.206 -2.897 638 2HG GLU 82 2HG GLU 82 2.267 -11.309 -3.200 639 H ALA 83 H ALA 83 2.275 -9.307 -1.947 640 HA ALA 83 HA ALA 83 -0.474 -8.787 -2.743 641 1HB ALA 83 1HB ALA 83 -0.859 -9.382 -0.255 642 2HB ALA 83 2HB ALA 83 -0.373 -10.655 -1.376 643 3HB ALA 83 3HB ALA 83 0.818 -9.927 -0.297 644 H ALA 84 H ALA 84 1.990 -7.439 -0.597 645 HA ALA 84 HA ALA 84 0.434 -5.492 0.664 646 1HB ALA 84 1HB ALA 84 2.440 -5.625 1.701 647 2HB ALA 84 2HB ALA 84 3.322 -5.915 0.201 648 3HB ALA 84 3HB ALA 84 2.820 -4.279 0.627 649 H ARG 85 H ARG 85 1.954 -5.533 -2.491 650 HA ARG 85 HA ARG 85 1.553 -2.735 -2.993 651 1HB ARG 85 1HB ARG 85 2.475 -5.077 -4.614 652 2HB ARG 85 2HB ARG 85 2.012 -3.590 -5.431 653 1HG ARG 85 1HG ARG 85 3.647 -2.526 -3.645 654 2HG ARG 85 2HG ARG 85 4.336 -4.151 -3.679 655 1HD ARG 85 1HD ARG 85 4.155 -3.770 -6.294 656 2HD ARG 85 2HD ARG 85 4.234 -2.078 -5.806 657 HE ARG 85 HE ARG 85 6.441 -2.369 -5.269 658 1HH1 ARG 85 2HH1 ARG 85 4.930 -5.483 -5.639 659 2HH1 ARG 85 1HH1 ARG 85 6.419 -6.363 -5.543 660 1HH2 ARG 85 2HH2 ARG 85 8.409 -3.516 -5.141 661 2HH2 ARG 85 1HH2 ARG 85 8.398 -5.243 -5.259 662 H GLN 86 H GLN 86 -0.300 -5.630 -3.367 663 HA GLN 86 HA GLN 86 -2.147 -4.514 -5.278 664 1HB GLN 86 1HB GLN 86 -1.740 -6.903 -5.305 665 2HB GLN 86 2HB GLN 86 -2.246 -7.043 -3.626 666 1HG GLN 86 1HG GLN 86 -4.031 -7.824 -4.966 667 2HG GLN 86 2HG GLN 86 -4.508 -6.250 -4.331 668 1HE2 GLN 86 1HE2 GLN 86 -4.900 -4.596 -5.712 669 2HE2 GLN 86 2HE2 GLN 86 -4.857 -4.744 -7.433 670 H ASN 87 H ASN 87 -1.963 -4.924 -1.804 671 HA ASN 87 HA ASN 87 -4.682 -4.296 -1.258 672 1HB ASN 87 1HB ASN 87 -2.176 -4.405 0.395 673 2HB ASN 87 2HB ASN 87 -3.666 -3.764 1.079 674 1HD2 ASN 87 1HD2 ASN 87 -1.865 -6.517 0.463 675 2HD2 ASN 87 2HD2 ASN 87 -3.070 -7.701 0.825 676 H TYR 88 H TYR 88 -1.688 -2.383 -0.978 677 HA TYR 88 HA TYR 88 -2.698 0.008 -0.124 678 1HB TYR 88 1HB TYR 88 -0.288 -0.495 -0.531 679 2HB TYR 88 2HB TYR 88 -0.572 -0.288 -2.256 680 HD1 TYR 88 1HD TYR 88 0.422 1.322 0.715 681 HD2 TYR 88 2HD TYR 88 -1.634 2.014 -2.945 682 HE1 TYR 88 1HE TYR 88 0.839 3.736 0.943 683 HE2 TYR 88 2HE TYR 88 -1.222 4.428 -2.727 684 HH TYR 88 HH TYR 88 -0.457 5.926 -0.027 685 H VAL 89 H VAL 89 -2.251 -0.874 -3.554 686 HA VAL 89 HA VAL 89 -3.551 1.360 -4.626 687 HB VAL 89 HB VAL 89 -3.817 0.003 -6.688 688 1HG1 VAL 89 1HG1 VAL 89 -1.235 -0.671 -6.690 689 2HG1 VAL 89 2HG1 VAL 89 -1.781 1.005 -6.777 690 3HG1 VAL 89 3HG1 VAL 89 -1.256 0.325 -5.236 691 1HG2 VAL 89 1HG2 VAL 89 -2.837 -2.197 -4.884 692 2HG2 VAL 89 2HG2 VAL 89 -4.306 -2.159 -5.860 693 3HG2 VAL 89 3HG2 VAL 89 -2.731 -2.283 -6.643 694 H ASP 90 H ASP 90 -4.798 -1.863 -3.822 695 HA ASP 90 HA ASP 90 -7.362 -1.663 -4.811 696 1HB ASP 90 1HB ASP 90 -6.574 -3.738 -3.881 697 2HB ASP 90 2HB ASP 90 -6.382 -3.009 -2.289 698 H LEU 91 H LEU 91 -5.972 -0.122 -2.018 699 HA LEU 91 HA LEU 91 -8.486 0.668 -0.872 700 1HB LEU 91 1HB LEU 91 -6.422 0.330 0.456 701 2HB LEU 91 2HB LEU 91 -5.719 1.739 -0.335 702 HG LEU 91 HG LEU 91 -6.577 2.147 1.975 703 1HD1 LEU 91 1HD1 LEU 91 -7.345 4.291 1.488 704 2HD1 LEU 91 2HD1 LEU 91 -8.129 3.775 -0.005 705 3HD1 LEU 91 3HD1 LEU 91 -6.370 3.866 0.081 706 1HD2 LEU 91 1HD2 LEU 91 -8.961 2.309 2.338 707 2HD2 LEU 91 2HD2 LEU 91 -8.549 0.675 1.817 708 3HD2 LEU 91 3HD2 LEU 91 -9.278 1.808 0.677 709 H VAL 92 H VAL 92 -5.806 2.540 -2.310 710 HA VAL 92 HA VAL 92 -6.949 5.008 -2.455 711 HB VAL 92 HB VAL 92 -5.264 3.735 -4.617 712 1HG1 VAL 92 1HG1 VAL 92 -5.311 5.668 -5.712 713 2HG1 VAL 92 2HG1 VAL 92 -6.577 6.208 -4.608 714 3HG1 VAL 92 3HG1 VAL 92 -4.885 6.562 -4.253 715 1HG2 VAL 92 1HG2 VAL 92 -4.625 4.999 -1.992 716 2HG2 VAL 92 2HG2 VAL 92 -3.919 3.575 -2.757 717 3HG2 VAL 92 3HG2 VAL 92 -3.498 5.187 -3.335 718 H SER 93 H SER 93 -7.637 2.234 -4.479 719 HA SER 93 HA SER 93 -9.129 3.636 -6.454 720 1HB SER 93 1HB SER 93 -8.114 1.369 -6.781 721 2HB SER 93 2HB SER 93 -9.346 0.712 -5.704 722 HG SER 93 HG SER 93 -9.584 0.977 -8.243 723 H SER 94 H SER 94 -9.916 2.140 -3.386 724 HA SER 94 HA SER 94 -12.710 2.065 -3.648 725 1HB SER 94 1HB SER 94 -11.135 1.073 -1.805 726 2HB SER 94 2HB SER 94 -11.406 2.620 -1.003 727 HG SER 94 HG SER 94 -12.999 0.503 -1.051 728 H LEU 95 H LEU 95 -10.539 4.592 -2.455 729 HA LEU 95 HA LEU 95 -12.579 6.386 -1.653 730 1HB LEU 95 1HB LEU 95 -9.715 6.900 -2.439 731 2HB LEU 95 2HB LEU 95 -10.779 8.085 -1.685 732 HG LEU 95 HG LEU 95 -10.078 5.476 -0.361 733 1HD1 LEU 95 1HD1 LEU 95 -8.590 7.248 0.981 734 2HD1 LEU 95 2HD1 LEU 95 -8.490 7.952 -0.633 735 3HD1 LEU 95 3HD1 LEU 95 -7.969 6.289 -0.363 736 1HD2 LEU 95 1HD2 LEU 95 -11.112 6.300 1.486 737 2HD2 LEU 95 2HD2 LEU 95 -12.044 7.159 0.259 738 3HD2 LEU 95 3HD2 LEU 95 -10.722 7.975 1.097 739 H SER 96 H SER 96 -10.406 6.524 -4.482 740 HA SER 96 HA SER 96 -11.727 8.617 -5.780 741 1HB SER 96 1HB SER 96 -9.420 7.550 -6.280 742 2HB SER 96 2HB SER 96 -10.326 6.422 -7.288 743 HG SER 96 HG SER 96 -10.059 9.219 -7.563 744 HA PRO 97 HA PRO 97 -15.455 6.687 -7.157 745 1HB PRO 97 1HB PRO 97 -16.184 8.569 -8.973 746 2HB PRO 97 2HB PRO 97 -16.334 8.809 -7.228 747 1HG PRO 97 1HG PRO 97 -14.202 9.771 -9.097 748 2HG PRO 97 2HG PRO 97 -15.007 10.639 -7.777 749 1HD PRO 97 1HD PRO 97 -12.543 9.549 -7.513 750 2HD PRO 97 2HD PRO 97 -13.686 9.662 -6.160 751 H SER 98 H SER 98 -13.331 8.078 -9.662 752 HA SER 98 HA SER 98 -13.788 5.655 -11.269 753 1HB SER 98 1HB SER 98 -15.069 7.348 -12.364 754 2HB SER 98 2HB SER 98 -13.769 8.529 -12.202 755 HG SER 98 HG SER 98 -14.208 6.857 -14.204 756 H LEU 99 H LEU 99 -11.982 4.633 -11.819 757 HA LEU 99 HA LEU 99 -9.460 6.154 -11.862 758 1HB LEU 99 1HB LEU 99 -9.974 4.469 -9.905 759 2HB LEU 99 2HB LEU 99 -9.482 3.274 -11.103 760 HG LEU 99 HG LEU 99 -7.680 5.585 -10.552 761 1HD1 LEU 99 1HD1 LEU 99 -6.609 4.063 -8.795 762 2HD1 LEU 99 2HD1 LEU 99 -8.176 3.259 -8.727 763 3HD1 LEU 99 3HD1 LEU 99 -8.047 4.972 -8.331 764 1HD2 LEU 99 1HD2 LEU 99 -7.166 2.677 -11.163 765 2HD2 LEU 99 2HD2 LEU 99 -5.970 3.972 -11.110 766 3HD2 LEU 99 3HD2 LEU 99 -7.214 3.971 -12.361 767 H GLU 100 H GLU 100 -8.132 5.813 -13.564 768 HA GLU 100 HA GLU 100 -9.168 4.451 -15.845 769 1HB GLU 100 1HB GLU 100 -6.540 5.814 -15.281 770 2HB GLU 100 2HB GLU 100 -6.883 5.032 -16.818 771 1HG GLU 100 1HG GLU 100 -8.994 6.534 -16.823 772 2HG GLU 100 2HG GLU 100 -8.107 7.480 -15.629 773 H SER 101 H SER 101 -9.201 2.303 -15.951 774 HA SER 101 HA SER 101 -6.970 0.779 -14.808 775 1HB SER 101 1HB SER 101 -9.841 0.186 -15.348 776 2HB SER 101 2HB SER 101 -8.697 -1.154 -15.439 777 HG SER 101 HG SER 101 -9.349 0.480 -13.238 778 H SER 102 H SER 102 -6.293 -1.187 -16.032 779 HA SER 102 HA SER 102 -6.342 -0.703 -18.938 780 1HB SER 102 1HB SER 102 -4.000 -1.617 -17.251 781 2HB SER 102 2HB SER 102 -4.006 -1.562 -19.014 782 HG SER 102 HG SER 102 -3.077 0.318 -18.063 783 H SER 103 H SER 103 -6.872 -2.391 -20.183 784 HA SER 103 HA SER 103 -7.411 -4.940 -18.858 785 1HB SER 103 1HB SER 103 -8.745 -5.474 -20.844 786 2HB SER 103 2HB SER 103 -9.222 -3.910 -20.183 787 HG SER 103 HG SER 103 -7.238 -3.938 -22.143 788 H GLN 104 H GLN 104 -6.959 -6.948 -20.123 789 HA GLN 104 HA GLN 104 -5.437 -8.396 -20.997 790 1HB GLN 104 1HB GLN 104 -4.875 -6.047 -22.815 791 2HB GLN 104 2HB GLN 104 -4.317 -7.692 -23.094 792 1HG GLN 104 1HG GLN 104 -6.601 -8.467 -23.291 793 2HG GLN 104 2HG GLN 104 -7.202 -6.851 -22.922 794 1HE2 GLN 104 1HE2 GLN 104 -8.294 -7.423 -25.039 795 2HE2 GLN 104 2HE2 GLN 104 -7.488 -6.917 -26.480 796 H VAL 105 H VAL 105 -4.589 -7.112 -18.700 797 HA VAL 105 HA VAL 105 -1.733 -6.604 -19.216 798 HB VAL 105 HB VAL 105 -3.403 -5.763 -16.842 799 1HG1 VAL 105 1HG1 VAL 105 -0.488 -5.345 -17.478 800 2HG1 VAL 105 2HG1 VAL 105 -1.363 -4.456 -16.230 801 3HG1 VAL 105 3HG1 VAL 105 -1.175 -6.205 -16.100 802 1HG2 VAL 105 1HG2 VAL 105 -3.367 -3.582 -17.681 803 2HG2 VAL 105 2HG2 VAL 105 -2.078 -3.945 -18.829 804 3HG2 VAL 105 3HG2 VAL 105 -3.703 -4.577 -19.098 805 H GLU 106 H GLU 106 -1.214 -8.838 -19.253 806 HA GLU 106 HA GLU 106 -1.384 -10.161 -16.626 807 1HB GLU 106 1HB GLU 106 -2.486 -11.152 -18.822 808 2HB GLU 106 2HB GLU 106 -0.847 -11.716 -19.115 809 1HG GLU 106 1HG GLU 106 -2.616 -12.365 -16.774 810 2HG GLU 106 2HG GLU 106 -2.047 -13.459 -18.033 811 HA PRO 107 HA PRO 107 3.081 -9.240 -17.308 812 1HB PRO 107 1HB PRO 107 3.589 -8.711 -14.695 813 2HB PRO 107 2HB PRO 107 2.967 -7.496 -15.818 814 1HG PRO 107 1HG PRO 107 1.491 -9.143 -13.801 815 2HG PRO 107 2HG PRO 107 1.315 -7.420 -14.183 816 1HD PRO 107 1HD PRO 107 -0.388 -9.302 -15.126 817 2HD PRO 107 2HD PRO 107 0.016 -7.836 -16.041 818 H GLY 108 H GLY 108 4.623 -10.766 -17.221 819 1HA GLY 108 1HA GLY 108 4.046 -13.301 -16.004 820 2HA GLY 108 2HA GLY 108 5.503 -12.877 -16.892 821 H THR 109 H THR 109 4.652 -14.065 -14.088 822 HA THR 109 HA THR 109 6.781 -12.648 -12.626 823 HB THR 109 HB THR 109 4.250 -13.746 -11.385 824 HG1 THR 109 1HG THR 109 4.974 -11.216 -12.330 825 1HG2 THR 109 1HG2 THR 109 6.796 -13.101 -10.282 826 2HG2 THR 109 2HG2 THR 109 5.333 -13.619 -9.444 827 3HG2 THR 109 3HG2 THR 109 5.629 -11.904 -9.723 828 H ASP 110 H ASP 110 8.404 -14.098 -12.786 829 HA ASP 110 HA ASP 110 7.901 -16.934 -12.435 830 1HB ASP 110 1HB ASP 110 10.633 -15.706 -12.664 831 2HB ASP 110 2HB ASP 110 10.085 -17.294 -13.195 832 H SER 111 H SER 111 7.297 -17.186 -10.302 833 HA SER 111 HA SER 111 9.462 -17.198 -8.395 834 1HB SER 111 1HB SER 111 7.025 -15.464 -7.922 835 2HB SER 111 2HB SER 111 8.238 -15.853 -6.702 836 HG SER 111 HG SER 111 9.265 -14.190 -7.452 837 H GLY 112 H GLY 112 8.719 -18.124 -6.261 838 1HA GLY 112 1HA GLY 112 7.110 -19.419 -5.042 839 2HA GLY 112 2HA GLY 112 6.344 -19.835 -6.568 840 HA PRO 113 HA PRO 113 10.378 -22.508 -6.035 841 1HB PRO 113 1HB PRO 113 11.172 -22.818 -3.457 842 2HB PRO 113 2HB PRO 113 11.792 -21.538 -4.506 843 1HG PRO 113 1HG PRO 113 9.654 -21.404 -2.416 844 2HG PRO 113 2HG PRO 113 10.965 -20.258 -2.750 845 1HD PRO 113 1HD PRO 113 8.425 -19.854 -3.598 846 2HD PRO 113 2HD PRO 113 9.838 -19.289 -4.512 847 H SER 114 H SER 114 10.503 -24.742 -5.460 848 HA SER 114 HA SER 114 7.960 -25.783 -4.439 849 1HB SER 114 1HB SER 114 10.083 -26.900 -6.249 850 2HB SER 114 2HB SER 114 8.948 -27.978 -5.435 851 HG SER 114 HG SER 114 7.268 -26.993 -6.489 852 H SER 115 H SER 115 7.895 -26.446 -2.407 853 HA SER 115 HA SER 115 9.954 -28.128 -1.312 854 1HB SER 115 1HB SER 115 9.576 -25.310 -0.313 855 2HB SER 115 2HB SER 115 10.227 -26.580 0.723 856 HG SER 115 HG SER 115 11.323 -26.097 -1.827 857 H GLY 116 H GLY 116 8.766 -29.689 -0.441 858 1HA GLY 116 1HA GLY 116 7.389 -29.906 1.741 859 2HA GLY 116 2HA GLY 116 6.205 -28.988 0.823 Start of MODEL 4 1 1H GLY 1 H GLY 1 -21.527 -8.252 -20.583 2 1HA GLY 1 1HA GLY 1 -23.146 -10.485 -19.873 3 2HA GLY 1 2HA GLY 1 -21.557 -10.553 -20.620 4 H SER 2 H SER 2 -23.140 -11.714 -18.115 5 HA SER 2 HA SER 2 -21.531 -11.100 -15.874 6 1HB SER 2 1HB SER 2 -23.504 -13.248 -16.541 7 2HB SER 2 2HB SER 2 -22.481 -13.447 -15.119 8 HG SER 2 HG SER 2 -23.322 -11.030 -14.911 9 H SER 3 H SER 3 -21.545 -13.946 -18.019 10 HA SER 3 HA SER 3 -18.899 -14.677 -16.988 11 1HB SER 3 1HB SER 3 -19.313 -16.853 -18.144 12 2HB SER 3 2HB SER 3 -20.520 -16.476 -16.914 13 HG SER 3 HG SER 3 -21.920 -16.723 -18.450 14 H GLY 4 H GLY 4 -17.374 -15.628 -18.649 15 1HA GLY 4 1HA GLY 4 -17.634 -14.618 -21.349 16 2HA GLY 4 2HA GLY 4 -16.410 -13.803 -20.387 17 H SER 5 H SER 5 -16.298 -15.615 -22.796 18 HA SER 5 HA SER 5 -14.695 -17.818 -21.717 19 1HB SER 5 1HB SER 5 -14.842 -18.798 -23.947 20 2HB SER 5 2HB SER 5 -16.454 -18.364 -23.377 21 HG SER 5 HG SER 5 -16.613 -16.931 -24.918 22 H SER 6 H SER 6 -12.541 -17.893 -21.901 23 HA SER 6 HA SER 6 -10.398 -17.287 -22.366 24 1HB SER 6 1HB SER 6 -11.842 -16.629 -24.886 25 2HB SER 6 2HB SER 6 -10.213 -15.982 -24.691 26 HG SER 6 HG SER 6 -11.068 -18.618 -24.965 27 H GLY 7 H GLY 7 -11.797 -15.625 -20.654 28 1HA GLY 7 1HA GLY 7 -10.375 -13.111 -21.107 29 2HA GLY 7 2HA GLY 7 -12.117 -13.017 -20.897 30 H MET 8 H MET 8 -9.662 -12.147 -19.279 31 HA MET 8 HA MET 8 -9.916 -13.625 -16.819 32 1HB MET 8 1HB MET 8 -8.254 -12.139 -15.943 33 2HB MET 8 2HB MET 8 -7.782 -12.561 -17.583 34 1HG MET 8 1HG MET 8 -8.871 -10.394 -18.306 35 2HG MET 8 2HG MET 8 -8.950 -9.981 -16.595 36 1HE MET 8 1HE MET 8 -6.173 -8.642 -19.317 37 2HE MET 8 2HE MET 8 -7.887 -8.537 -18.914 38 3HE MET 8 3HE MET 8 -6.701 -7.641 -17.963 39 H ASN 9 H ASN 9 -10.984 -13.038 -14.982 40 HA ASN 9 HA ASN 9 -13.201 -11.272 -15.253 41 1HB ASN 9 1HB ASN 9 -13.554 -11.782 -12.815 42 2HB ASN 9 2HB ASN 9 -13.455 -13.202 -13.852 43 1HD2 ASN 9 1HD2 ASN 9 -13.100 -13.727 -11.332 44 2HD2 ASN 9 2HD2 ASN 9 -11.438 -13.978 -10.932 45 H ARG 10 H ARG 10 -13.210 -9.144 -15.018 46 HA ARG 10 HA ARG 10 -10.992 -7.617 -14.294 47 1HB ARG 10 1HB ARG 10 -13.907 -6.819 -14.198 48 2HB ARG 10 2HB ARG 10 -12.541 -5.713 -14.208 49 1HG ARG 10 1HG ARG 10 -11.949 -6.976 -16.434 50 2HG ARG 10 2HG ARG 10 -13.674 -7.350 -16.413 51 1HD ARG 10 1HD ARG 10 -14.255 -5.042 -16.406 52 2HD ARG 10 2HD ARG 10 -12.584 -4.561 -16.113 53 HE ARG 10 HE ARG 10 -12.692 -6.000 -18.513 54 1HH1 ARG 10 2HH1 ARG 10 -13.753 -2.965 -17.178 55 2HH1 ARG 10 1HH1 ARG 10 -13.716 -2.135 -18.698 56 1HH2 ARG 10 2HH2 ARG 10 -12.639 -4.918 -20.520 57 2HH2 ARG 10 1HH2 ARG 10 -13.083 -3.246 -20.598 58 H THR 11 H THR 11 -13.828 -8.561 -12.386 59 HA THR 11 HA THR 11 -13.489 -7.149 -10.086 60 HB THR 11 HB THR 11 -14.495 -9.018 -8.853 61 HG1 THR 11 1HG THR 11 -14.016 -10.960 -9.526 62 1HG2 THR 11 1HG2 THR 11 -16.249 -9.464 -10.965 63 2HG2 THR 11 2HG2 THR 11 -15.546 -7.882 -11.304 64 3HG2 THR 11 3HG2 THR 11 -16.354 -8.177 -9.764 65 H ALA 12 H ALA 12 -11.632 -9.949 -11.136 66 HA ALA 12 HA ALA 12 -9.946 -9.700 -8.737 67 1HB ALA 12 1HB ALA 12 -10.874 -11.975 -10.306 68 2HB ALA 12 2HB ALA 12 -9.140 -12.007 -9.985 69 3HB ALA 12 3HB ALA 12 -10.282 -11.907 -8.645 70 H MET 13 H MET 13 -8.793 -7.888 -9.583 71 HA MET 13 HA MET 13 -6.854 -8.631 -11.673 72 1HB MET 13 1HB MET 13 -8.619 -6.850 -12.267 73 2HB MET 13 2HB MET 13 -7.731 -5.797 -11.173 74 1HG MET 13 1HG MET 13 -5.908 -5.669 -12.551 75 2HG MET 13 2HG MET 13 -6.243 -7.219 -13.319 76 1HE MET 13 1HE MET 13 -6.409 -3.817 -15.674 77 2HE MET 13 2HE MET 13 -5.380 -4.341 -14.341 78 3HE MET 13 3HE MET 13 -5.588 -5.376 -15.755 79 H ARG 14 H ARG 14 -4.729 -8.200 -11.285 80 HA ARG 14 HA ARG 14 -4.073 -7.318 -8.571 81 1HB ARG 14 1HB ARG 14 -2.458 -8.795 -10.654 82 2HB ARG 14 2HB ARG 14 -1.809 -8.267 -9.108 83 1HG ARG 14 1HG ARG 14 -2.354 -10.414 -8.593 84 2HG ARG 14 2HG ARG 14 -3.868 -9.613 -8.167 85 1HD ARG 14 1HD ARG 14 -4.474 -11.508 -9.435 86 2HD ARG 14 2HD ARG 14 -4.646 -10.128 -10.518 87 HE ARG 14 HE ARG 14 -2.994 -11.005 -11.834 88 1HH1 ARG 14 2HH1 ARG 14 -2.899 -12.548 -8.714 89 2HH1 ARG 14 1HH1 ARG 14 -1.718 -13.724 -9.187 90 1HH2 ARG 14 2HH2 ARG 14 -1.439 -12.548 -12.468 91 2HH2 ARG 14 1HH2 ARG 14 -0.887 -13.723 -11.322 92 H ALA 15 H ALA 15 -1.877 -6.144 -8.434 93 HA ALA 15 HA ALA 15 -1.728 -4.102 -10.554 94 1HB ALA 15 1HB ALA 15 -2.701 -3.579 -8.098 95 2HB ALA 15 2HB ALA 15 -0.986 -3.262 -7.830 96 3HB ALA 15 3HB ALA 15 -1.857 -2.391 -9.092 97 H SER 16 H SER 16 0.399 -2.773 -10.230 98 HA SER 16 HA SER 16 2.607 -4.565 -9.496 99 1HB SER 16 1HB SER 16 2.330 -3.058 -12.105 100 2HB SER 16 2HB SER 16 3.827 -3.814 -11.557 101 HG SER 16 HG SER 16 1.523 -5.384 -11.588 102 H GLN 17 H GLN 17 4.758 -3.110 -9.974 103 HA GLN 17 HA GLN 17 4.834 -1.226 -7.923 104 1HB GLN 17 1HB GLN 17 6.852 -2.300 -8.710 105 2HB GLN 17 2HB GLN 17 6.665 -1.574 -10.301 106 1HG GLN 17 1HG GLN 17 8.351 -0.366 -9.158 107 2HG GLN 17 2HG GLN 17 6.920 0.662 -9.227 108 1HE2 GLN 17 1HE2 GLN 17 6.838 1.824 -7.446 109 2HE2 GLN 17 2HE2 GLN 17 7.089 1.244 -5.839 110 H LYS 18 H LYS 18 4.529 -0.756 -11.424 111 HA LYS 18 HA LYS 18 4.631 2.023 -11.491 112 1HB LYS 18 1HB LYS 18 4.686 0.626 -13.505 113 2HB LYS 18 2HB LYS 18 3.010 0.162 -13.240 114 1HG LYS 18 1HG LYS 18 2.532 2.697 -13.364 115 2HG LYS 18 2HG LYS 18 4.123 2.793 -14.122 116 1HD LYS 18 1HD LYS 18 3.259 0.925 -15.671 117 2HD LYS 18 2HD LYS 18 1.657 1.378 -15.082 118 1HE LYS 18 1HE LYS 18 3.631 3.259 -16.374 119 2HE LYS 18 2HE LYS 18 2.263 2.508 -17.194 120 1HZ LYS 18 1HZ LYS 18 2.276 4.630 -15.167 121 2HZ LYS 18 2HZ LYS 18 0.941 3.595 -15.249 122 3HZ LYS 18 3HZ LYS 18 1.381 4.516 -16.598 123 H ASP 19 H ASP 19 1.685 0.007 -11.507 124 HA ASP 19 HA ASP 19 -0.209 1.969 -11.265 125 1HB ASP 19 1HB ASP 19 -0.168 -0.787 -10.024 126 2HB ASP 19 2HB ASP 19 -1.593 0.249 -10.048 127 H PHE 20 H PHE 20 1.681 0.480 -8.669 128 HA PHE 20 HA PHE 20 0.419 1.657 -6.486 129 1HB PHE 20 1HB PHE 20 2.130 -0.144 -6.349 130 2HB PHE 20 2HB PHE 20 3.369 1.043 -6.749 131 HD1 PHE 20 1HD PHE 20 3.491 3.119 -5.181 132 HD2 PHE 20 2HD PHE 20 1.643 -0.571 -4.140 133 HE1 PHE 20 1HE PHE 20 3.727 3.678 -2.796 134 HE2 PHE 20 2HE PHE 20 1.875 -0.018 -1.754 135 HZ PHE 20 HZ PHE 20 2.917 2.109 -1.079 136 H GLU 21 H GLU 21 3.422 2.766 -8.066 137 HA GLU 21 HA GLU 21 3.842 5.105 -6.736 138 1HB GLU 21 1HB GLU 21 4.332 4.272 -9.561 139 2HB GLU 21 2HB GLU 21 4.602 5.953 -9.124 140 1HG GLU 21 1HG GLU 21 6.101 5.143 -7.292 141 2HG GLU 21 2HG GLU 21 5.947 3.525 -7.974 142 H ASN 22 H ASN 22 1.331 4.417 -9.038 143 HA ASN 22 HA ASN 22 0.577 7.191 -9.361 144 1HB ASN 22 1HB ASN 22 -0.538 4.581 -10.363 145 2HB ASN 22 2HB ASN 22 -1.431 6.087 -10.555 146 1HD2 ASN 22 1HD2 ASN 22 0.477 4.045 -12.139 147 2HD2 ASN 22 2HD2 ASN 22 1.266 5.123 -13.235 148 H SER 23 H SER 23 -0.678 4.316 -7.716 149 HA SER 23 HA SER 23 -3.051 5.444 -6.742 150 1HB SER 23 1HB SER 23 -1.324 3.181 -5.743 151 2HB SER 23 2HB SER 23 -2.832 3.631 -4.948 152 HG SER 23 HG SER 23 -2.408 2.451 -7.440 153 H MET 24 H MET 24 0.138 5.132 -5.193 154 HA MET 24 HA MET 24 -0.488 6.341 -2.766 155 1HB MET 24 1HB MET 24 1.963 6.872 -2.645 156 2HB MET 24 2HB MET 24 1.593 5.190 -2.997 157 1HG MET 24 1HG MET 24 2.409 5.303 -5.116 158 2HG MET 24 2HG MET 24 2.033 7.016 -5.288 159 1HE MET 24 1HE MET 24 5.423 8.005 -5.750 160 2HE MET 24 2HE MET 24 3.710 8.000 -6.173 161 3HE MET 24 3HE MET 24 4.283 8.981 -4.823 162 H ASN 25 H ASN 25 0.378 7.762 -5.863 163 HA ASN 25 HA ASN 25 0.810 10.398 -4.991 164 1HB ASN 25 1HB ASN 25 1.396 9.465 -7.254 165 2HB ASN 25 2HB ASN 25 -0.312 9.566 -7.672 166 1HD2 ASN 25 1HD2 ASN 25 0.521 10.948 -9.392 167 2HD2 ASN 25 2HD2 ASN 25 0.766 12.626 -9.064 168 H GLN 26 H GLN 26 -2.118 8.849 -6.292 169 HA GLN 26 HA GLN 26 -3.841 10.995 -6.250 170 1HB GLN 26 1HB GLN 26 -4.405 8.096 -5.618 171 2HB GLN 26 2HB GLN 26 -5.657 9.303 -5.881 172 1HG GLN 26 1HG GLN 26 -4.857 9.666 -8.146 173 2HG GLN 26 2HG GLN 26 -3.562 8.499 -7.887 174 1HE2 GLN 26 1HE2 GLN 26 -7.047 8.890 -8.080 175 2HE2 GLN 26 2HE2 GLN 26 -7.393 7.259 -8.534 176 H VAL 27 H VAL 27 -2.913 8.879 -3.577 177 HA VAL 27 HA VAL 27 -4.719 9.854 -1.663 178 HB VAL 27 HB VAL 27 -1.948 8.736 -1.213 179 1HG1 VAL 27 1HG1 VAL 27 -2.989 10.015 0.695 180 2HG1 VAL 27 2HG1 VAL 27 -4.253 8.784 0.722 181 3HG1 VAL 27 3HG1 VAL 27 -2.576 8.335 1.037 182 1HG2 VAL 27 1HG2 VAL 27 -3.491 7.266 -2.496 183 2HG2 VAL 27 2HG2 VAL 27 -3.009 6.598 -0.937 184 3HG2 VAL 27 3HG2 VAL 27 -4.607 7.316 -1.132 185 H LYS 28 H LYS 28 -1.699 11.110 -2.858 186 HA LYS 28 HA LYS 28 -1.511 13.092 -0.737 187 1HB LYS 28 1HB LYS 28 0.204 12.697 -3.197 188 2HB LYS 28 2HB LYS 28 0.551 13.797 -1.869 189 1HG LYS 28 1HG LYS 28 1.018 12.052 -0.390 190 2HG LYS 28 2HG LYS 28 0.225 10.853 -1.414 191 1HD LYS 28 1HD LYS 28 1.984 11.078 -3.076 192 2HD LYS 28 2HD LYS 28 2.757 12.340 -2.115 193 1HE LYS 28 1HE LYS 28 3.103 10.723 -0.299 194 2HE LYS 28 2HE LYS 28 2.354 9.467 -1.283 195 1HZ LYS 28 1HZ LYS 28 4.129 9.863 -2.947 196 2HZ LYS 28 2HZ LYS 28 4.705 9.268 -1.472 197 3HZ LYS 28 3HZ LYS 28 4.885 10.907 -1.851 198 H LEU 29 H LEU 29 -2.812 12.784 -3.894 199 HA LEU 29 HA LEU 29 -2.738 15.543 -4.621 200 1HB LEU 29 1HB LEU 29 -4.035 13.083 -5.651 201 2HB LEU 29 2HB LEU 29 -4.734 14.629 -6.127 202 HG LEU 29 HG LEU 29 -2.950 15.185 -7.446 203 1HD1 LEU 29 1HD1 LEU 29 -0.679 14.086 -7.150 204 2HD1 LEU 29 2HD1 LEU 29 -1.297 13.471 -5.617 205 3HD1 LEU 29 3HD1 LEU 29 -1.191 15.210 -5.891 206 1HD2 LEU 29 1HD2 LEU 29 -2.448 13.366 -8.840 207 2HD2 LEU 29 2HD2 LEU 29 -4.018 12.977 -8.137 208 3HD2 LEU 29 3HD2 LEU 29 -2.558 12.208 -7.514 209 H LEU 30 H LEU 30 -5.104 13.447 -3.053 210 HA LEU 30 HA LEU 30 -7.176 15.407 -2.977 211 1HB LEU 30 1HB LEU 30 -8.417 13.857 -1.770 212 2HB LEU 30 2HB LEU 30 -7.391 12.867 -2.806 213 HG LEU 30 HG LEU 30 -5.847 12.842 -0.662 214 1HD1 LEU 30 1HD1 LEU 30 -7.131 14.324 0.705 215 2HD1 LEU 30 2HD1 LEU 30 -7.274 12.699 1.373 216 3HD1 LEU 30 3HD1 LEU 30 -8.599 13.384 0.434 217 1HD2 LEU 30 1HD2 LEU 30 -8.189 11.181 -1.433 218 2HD2 LEU 30 2HD2 LEU 30 -7.399 10.850 0.109 219 3HD2 LEU 30 3HD2 LEU 30 -6.474 10.771 -1.391 220 H LYS 31 H LYS 31 -7.608 16.938 -1.501 221 HA LYS 31 HA LYS 31 -5.712 17.243 0.718 222 1HB LYS 31 1HB LYS 31 -7.545 19.207 -0.659 223 2HB LYS 31 2HB LYS 31 -6.649 19.592 0.804 224 1HG LYS 31 1HG LYS 31 -5.284 20.436 -0.845 225 2HG LYS 31 2HG LYS 31 -4.580 18.842 -0.561 226 1HD LYS 31 1HD LYS 31 -5.870 17.968 -2.478 227 2HD LYS 31 2HD LYS 31 -6.484 19.595 -2.779 228 1HE LYS 31 1HE LYS 31 -3.587 18.755 -2.839 229 2HE LYS 31 2HE LYS 31 -4.603 19.056 -4.248 230 1HZ LYS 31 1HZ LYS 31 -4.008 21.170 -4.129 231 2HZ LYS 31 2HZ LYS 31 -3.136 20.904 -2.705 232 3HZ LYS 31 3HZ LYS 31 -4.778 21.303 -2.629 233 H LYS 32 H LYS 32 -8.548 15.806 0.293 234 HA LYS 32 HA LYS 32 -10.047 16.915 2.493 235 1HB LYS 32 1HB LYS 32 -11.390 16.029 0.776 236 2HB LYS 32 2HB LYS 32 -10.429 14.561 0.661 237 1HG LYS 32 1HG LYS 32 -12.401 13.889 1.702 238 2HG LYS 32 2HG LYS 32 -11.243 14.050 3.025 239 1HD LYS 32 1HD LYS 32 -12.192 16.074 3.752 240 2HD LYS 32 2HD LYS 32 -13.079 16.296 2.242 241 1HE LYS 32 1HE LYS 32 -14.313 14.144 2.866 242 2HE LYS 32 2HE LYS 32 -13.629 14.363 4.476 243 1HZ LYS 32 1HZ LYS 32 -15.593 15.465 4.703 244 2HZ LYS 32 2HZ LYS 32 -15.657 15.954 3.085 245 3HZ LYS 32 3HZ LYS 32 -14.629 16.749 4.169 246 H ASP 33 H ASP 33 -10.447 15.936 4.484 247 HA ASP 33 HA ASP 33 -8.389 14.010 5.311 248 1HB ASP 33 1HB ASP 33 -10.102 15.865 6.980 249 2HB ASP 33 2HB ASP 33 -8.873 14.772 7.610 250 HA PRO 34 HA PRO 34 -12.004 11.253 5.225 251 1HB PRO 34 1HB PRO 34 -10.525 8.985 5.024 252 2HB PRO 34 2HB PRO 34 -10.925 9.998 3.631 253 1HG PRO 34 1HG PRO 34 -8.399 9.895 5.235 254 2HG PRO 34 2HG PRO 34 -8.605 9.994 3.476 255 1HD PRO 34 1HD PRO 34 -8.013 12.154 4.998 256 2HD PRO 34 2HD PRO 34 -8.996 12.265 3.524 257 H GLY 35 H GLY 35 -8.980 10.588 7.004 258 1HA GLY 35 1HA GLY 35 -9.726 10.752 9.557 259 2HA GLY 35 2HA GLY 35 -10.478 9.230 9.100 260 H ASN 36 H ASN 36 -8.122 10.126 10.886 261 HA ASN 36 HA ASN 36 -5.696 9.243 9.967 262 1HB ASN 36 1HB ASN 36 -6.986 9.264 12.658 263 2HB ASN 36 2HB ASN 36 -5.472 8.384 12.471 264 1HD2 ASN 36 1HD2 ASN 36 -3.920 9.588 13.289 265 2HD2 ASN 36 2HD2 ASN 36 -3.671 11.269 12.980 266 H GLU 37 H GLU 37 -8.524 7.391 10.491 267 HA GLU 37 HA GLU 37 -7.452 4.865 11.045 268 1HB GLU 37 1HB GLU 37 -9.558 3.963 10.274 269 2HB GLU 37 2HB GLU 37 -9.860 5.435 11.186 270 1HG GLU 37 1HG GLU 37 -10.094 6.674 9.081 271 2HG GLU 37 2HG GLU 37 -9.841 5.175 8.188 272 H VAL 38 H VAL 38 -8.083 6.485 7.960 273 HA VAL 38 HA VAL 38 -7.089 4.242 6.430 274 HB VAL 38 HB VAL 38 -8.834 5.436 5.370 275 1HG1 VAL 38 1HG1 VAL 38 -7.227 7.905 5.981 276 2HG1 VAL 38 2HG1 VAL 38 -8.570 7.893 4.837 277 3HG1 VAL 38 3HG1 VAL 38 -8.851 7.497 6.533 278 1HG2 VAL 38 1HG2 VAL 38 -6.803 4.785 3.985 279 2HG2 VAL 38 2HG2 VAL 38 -7.900 5.970 3.275 280 3HG2 VAL 38 3HG2 VAL 38 -6.380 6.497 3.996 281 H LYS 39 H LYS 39 -5.988 7.469 7.350 282 HA LYS 39 HA LYS 39 -3.734 7.732 5.793 283 1HB LYS 39 1HB LYS 39 -4.404 8.639 8.570 284 2HB LYS 39 2HB LYS 39 -2.795 8.929 7.924 285 1HG LYS 39 1HG LYS 39 -3.840 10.876 7.353 286 2HG LYS 39 2HG LYS 39 -4.123 9.921 5.896 287 1HD LYS 39 1HD LYS 39 -6.352 9.668 6.331 288 2HD LYS 39 2HD LYS 39 -6.131 9.748 8.080 289 1HE LYS 39 1HE LYS 39 -5.971 12.068 6.157 290 2HE LYS 39 2HE LYS 39 -7.310 11.716 7.248 291 1HZ LYS 39 1HZ LYS 39 -6.267 12.955 8.742 292 2HZ LYS 39 2HZ LYS 39 -4.883 13.089 7.778 293 3HZ LYS 39 3HZ LYS 39 -5.057 11.775 8.830 294 H LEU 40 H LEU 40 -4.321 5.482 8.319 295 HA LEU 40 HA LEU 40 -1.498 4.876 8.694 296 1HB LEU 40 1HB LEU 40 -4.013 3.776 9.927 297 2HB LEU 40 2HB LEU 40 -2.409 3.127 10.264 298 HG LEU 40 HG LEU 40 -3.060 6.016 10.758 299 1HD1 LEU 40 1HD1 LEU 40 -4.681 5.125 12.115 300 2HD1 LEU 40 2HD1 LEU 40 -3.292 5.112 13.200 301 3HD1 LEU 40 3HD1 LEU 40 -3.789 3.628 12.387 302 1HD2 LEU 40 1HD2 LEU 40 -1.178 5.970 12.175 303 2HD2 LEU 40 2HD2 LEU 40 -0.690 5.112 10.714 304 3HD2 LEU 40 3HD2 LEU 40 -1.115 4.208 12.168 305 H LYS 41 H LYS 41 -4.439 3.249 7.540 306 HA LYS 41 HA LYS 41 -3.352 0.797 6.856 307 1HB LYS 41 1HB LYS 41 -5.319 0.383 5.755 308 2HB LYS 41 2HB LYS 41 -5.812 1.766 6.724 309 1HG LYS 41 1HG LYS 41 -5.210 3.199 4.720 310 2HG LYS 41 2HG LYS 41 -5.116 1.693 3.805 311 1HD LYS 41 1HD LYS 41 -7.532 2.606 5.364 312 2HD LYS 41 2HD LYS 41 -7.319 2.824 3.626 313 1HE LYS 41 1HE LYS 41 -7.495 0.220 5.134 314 2HE LYS 41 2HE LYS 41 -8.676 0.878 4.003 315 1HZ LYS 41 1HZ LYS 41 -7.624 -0.246 2.428 316 2HZ LYS 41 2HZ LYS 41 -6.364 -0.678 3.470 317 3HZ LYS 41 3HZ LYS 41 -6.296 0.784 2.622 318 H LEU 42 H LEU 42 -3.248 3.848 5.124 319 HA LEU 42 HA LEU 42 -2.227 2.787 2.689 320 1HB LEU 42 1HB LEU 42 -2.573 5.480 3.881 321 2HB LEU 42 2HB LEU 42 -1.410 5.320 2.567 322 HG LEU 42 HG LEU 42 -3.560 6.071 1.729 323 1HD1 LEU 42 1HD1 LEU 42 -3.134 3.201 0.926 324 2HD1 LEU 42 2HD1 LEU 42 -2.115 4.534 0.386 325 3HD1 LEU 42 3HD1 LEU 42 -3.825 4.502 -0.043 326 1HD2 LEU 42 1HD2 LEU 42 -4.815 4.854 3.619 327 2HD2 LEU 42 2HD2 LEU 42 -4.778 3.456 2.544 328 3HD2 LEU 42 3HD2 LEU 42 -5.574 4.945 2.029 329 H TYR 43 H TYR 43 -0.805 3.752 5.705 330 HA TYR 43 HA TYR 43 1.888 3.818 4.631 331 1HB TYR 43 1HB TYR 43 1.834 5.336 6.336 332 2HB TYR 43 2HB TYR 43 0.605 4.449 7.231 333 HD1 TYR 43 1HD TYR 43 4.184 4.895 6.671 334 HD2 TYR 43 2HD TYR 43 1.237 2.634 8.746 335 HE1 TYR 43 1HE TYR 43 5.920 4.033 8.185 336 HE2 TYR 43 2HE TYR 43 2.965 1.767 10.267 337 HH TYR 43 HH TYR 43 6.270 2.064 9.653 338 H ALA 44 H ALA 44 -0.196 1.637 6.392 339 HA ALA 44 HA ALA 44 1.707 -0.169 7.362 340 1HB ALA 44 1HB ALA 44 -0.215 -1.832 7.231 341 2HB ALA 44 2HB ALA 44 -0.480 -0.378 8.195 342 3HB ALA 44 3HB ALA 44 -1.173 -0.503 6.578 343 H LEU 45 H LEU 45 0.033 -0.035 4.242 344 HA LEU 45 HA LEU 45 1.196 -2.442 3.246 345 1HB LEU 45 1HB LEU 45 -0.296 -0.162 1.997 346 2HB LEU 45 2HB LEU 45 0.423 -1.430 1.007 347 HG LEU 45 HG LEU 45 -1.830 -2.034 1.246 348 1HD1 LEU 45 1HD1 LEU 45 -1.760 -4.116 2.396 349 2HD1 LEU 45 2HD1 LEU 45 -0.445 -3.568 3.435 350 3HD1 LEU 45 3HD1 LEU 45 -0.157 -3.835 1.716 351 1HD2 LEU 45 1HD2 LEU 45 -1.488 -1.162 4.091 352 2HD2 LEU 45 2HD2 LEU 45 -2.790 -2.261 3.633 353 3HD2 LEU 45 3HD2 LEU 45 -2.692 -0.657 2.905 354 H TYR 46 H TYR 46 1.854 1.009 2.706 355 HA TYR 46 HA TYR 46 3.814 0.928 0.823 356 1HB TYR 46 1HB TYR 46 3.132 3.051 1.630 357 2HB TYR 46 2HB TYR 46 3.582 2.654 3.284 358 HD1 TYR 46 1HD TYR 46 4.999 3.288 -0.092 359 HD2 TYR 46 2HD TYR 46 5.715 3.187 4.100 360 HE1 TYR 46 1HE TYR 46 7.200 4.326 -0.449 361 HE2 TYR 46 2HE TYR 46 7.917 4.226 3.755 362 HH TYR 46 HH TYR 46 9.418 4.409 0.789 363 H LYS 47 H LYS 47 4.406 0.687 4.332 364 HA LYS 47 HA LYS 47 7.155 0.033 4.034 365 1HB LYS 47 1HB LYS 47 5.361 -0.491 6.410 366 2HB LYS 47 2HB LYS 47 7.118 -0.426 6.418 367 1HG LYS 47 1HG LYS 47 5.419 1.919 5.625 368 2HG LYS 47 2HG LYS 47 5.905 1.608 7.293 369 1HD LYS 47 1HD LYS 47 7.985 1.649 5.154 370 2HD LYS 47 2HD LYS 47 7.336 3.177 5.752 371 1HE LYS 47 1HE LYS 47 7.819 2.031 8.093 372 2HE LYS 47 2HE LYS 47 8.998 1.137 7.135 373 1HZ LYS 47 1HZ LYS 47 10.261 2.965 6.813 374 2HZ LYS 47 2HZ LYS 47 9.543 3.456 8.263 375 3HZ LYS 47 3HZ LYS 47 8.946 4.030 6.788 376 H GLN 48 H GLN 48 4.333 -1.763 3.586 377 HA GLN 48 HA GLN 48 5.533 -4.323 4.263 378 1HB GLN 48 1HB GLN 48 3.066 -3.683 4.619 379 2HB GLN 48 2HB GLN 48 2.887 -3.929 2.887 380 1HG GLN 48 1HG GLN 48 2.253 -5.965 3.749 381 2HG GLN 48 2HG GLN 48 3.947 -6.237 3.341 382 1HE2 GLN 48 1HE2 GLN 48 3.772 -8.004 4.868 383 2HE2 GLN 48 2HE2 GLN 48 3.972 -7.688 6.554 384 H ALA 49 H ALA 49 4.865 -2.356 1.470 385 HA ALA 49 HA ALA 49 5.690 -4.524 -0.326 386 1HB ALA 49 1HB ALA 49 4.270 -3.675 -1.808 387 2HB ALA 49 2HB ALA 49 3.716 -2.572 -0.548 388 3HB ALA 49 3HB ALA 49 4.985 -2.069 -1.665 389 H THR 50 H THR 50 7.224 -2.366 1.465 390 HA THR 50 HA THR 50 9.265 -1.830 -0.594 391 HB THR 50 HB THR 50 9.879 0.221 0.671 392 HG1 THR 50 1HG THR 50 7.594 -0.540 2.172 393 1HG2 THR 50 1HG2 THR 50 7.757 1.512 0.048 394 2HG2 THR 50 2HG2 THR 50 7.118 -0.041 -0.489 395 3HG2 THR 50 3HG2 THR 50 8.569 0.623 -1.239 396 H GLU 51 H GLU 51 8.613 -2.447 2.825 397 HA GLU 51 HA GLU 51 11.421 -3.276 3.148 398 1HB GLU 51 1HB GLU 51 9.499 -2.570 5.365 399 2HB GLU 51 2HB GLU 51 11.238 -2.794 5.486 400 1HG GLU 51 1HG GLU 51 11.245 -0.812 3.734 401 2HG GLU 51 2HG GLU 51 9.686 -0.478 4.486 402 H GLY 52 H GLY 52 8.062 -4.166 3.713 403 1HA GLY 52 1HA GLY 52 7.510 -6.531 3.350 404 2HA GLY 52 2HA GLY 52 8.979 -6.927 4.230 405 HA PRO 53 HA PRO 53 5.686 -7.423 7.331 406 1HB PRO 53 1HB PRO 53 7.050 -9.266 8.785 407 2HB PRO 53 2HB PRO 53 6.112 -9.680 7.345 408 1HG PRO 53 1HG PRO 53 9.061 -9.255 7.626 409 2HG PRO 53 2HG PRO 53 8.193 -10.512 6.726 410 1HD PRO 53 1HD PRO 53 9.251 -8.329 5.525 411 2HD PRO 53 2HD PRO 53 7.774 -9.120 4.938 412 H CYS 54 H CYS 54 5.487 -6.407 9.260 413 HA CYS 54 HA CYS 54 7.207 -4.463 10.114 414 1HB CYS 54 1HB CYS 54 4.994 -4.484 10.984 415 2HB CYS 54 2HB CYS 54 5.202 -6.090 11.671 416 HG CYS 54 HG CYS 54 7.149 -5.140 13.556 417 H ASN 55 H ASN 55 9.321 -4.776 10.465 418 HA ASN 55 HA ASN 55 10.098 -6.913 12.341 419 1HB ASN 55 1HB ASN 55 12.007 -7.360 11.123 420 2HB ASN 55 2HB ASN 55 10.902 -6.911 9.828 421 1HD2 ASN 55 1HD2 ASN 55 11.047 -4.778 8.959 422 2HD2 ASN 55 2HD2 ASN 55 12.539 -3.911 9.028 423 H MET 56 H MET 56 9.380 -3.916 12.579 424 HA MET 56 HA MET 56 11.856 -2.897 13.747 425 1HB MET 56 1HB MET 56 10.354 -0.826 14.111 426 2HB MET 56 2HB MET 56 10.847 -1.226 12.471 427 1HG MET 56 1HG MET 56 8.718 -2.139 11.962 428 2HG MET 56 2HG MET 56 8.219 -2.075 13.650 429 1HE MET 56 1HE MET 56 9.653 1.361 13.886 430 2HE MET 56 2HE MET 56 7.985 1.685 14.356 431 3HE MET 56 3HE MET 56 8.782 0.207 14.896 432 HA PRO 57 HA PRO 57 10.760 -3.726 17.916 433 1HB PRO 57 1HB PRO 57 11.831 -1.577 19.184 434 2HB PRO 57 2HB PRO 57 12.814 -2.877 18.500 435 1HG PRO 57 1HG PRO 57 12.174 -0.186 17.358 436 2HG PRO 57 2HG PRO 57 13.721 -1.052 17.381 437 1HD PRO 57 1HD PRO 57 12.124 -0.980 15.195 438 2HD PRO 57 2HD PRO 57 13.150 -2.376 15.583 439 H LYS 58 H LYS 58 8.941 -3.510 19.056 440 HA LYS 58 HA LYS 58 6.920 -1.706 18.421 441 1HB LYS 58 1HB LYS 58 6.639 -3.874 19.641 442 2HB LYS 58 2HB LYS 58 7.289 -3.097 21.079 443 1HG LYS 58 1HG LYS 58 5.423 -1.742 21.345 444 2HG LYS 58 2HG LYS 58 4.910 -1.954 19.670 445 1HD LYS 58 1HD LYS 58 4.230 -4.207 20.091 446 2HD LYS 58 2HD LYS 58 4.953 -4.182 21.701 447 1HE LYS 58 1HE LYS 58 2.882 -2.147 21.057 448 2HE LYS 58 2HE LYS 58 2.357 -3.809 21.321 449 1HZ LYS 58 1HZ LYS 58 2.395 -3.308 23.472 450 2HZ LYS 58 2HZ LYS 58 3.232 -1.861 23.220 451 3HZ LYS 58 3HZ LYS 58 4.084 -3.314 23.375 452 HA PRO 59 HA PRO 59 8.407 1.999 20.362 453 1HB PRO 59 1HB PRO 59 6.165 3.477 19.961 454 2HB PRO 59 2HB PRO 59 7.326 3.124 18.675 455 1HG PRO 59 1HG PRO 59 4.714 1.796 19.286 456 2HG PRO 59 2HG PRO 59 5.387 2.272 17.716 457 1HD PRO 59 1HD PRO 59 5.474 -0.277 18.626 458 2HD PRO 59 2HD PRO 59 6.742 0.411 17.591 459 H GLY 60 H GLY 60 7.588 3.555 22.052 460 1HA GLY 60 1HA GLY 60 6.422 2.011 24.226 461 2HA GLY 60 2HA GLY 60 7.182 3.590 24.358 462 H VAL 61 H VAL 61 4.681 2.738 25.520 463 HA VAL 61 HA VAL 61 2.396 3.508 24.180 464 HB VAL 61 HB VAL 61 1.486 4.140 26.449 465 1HG1 VAL 61 1HG1 VAL 61 1.050 1.950 25.833 466 2HG1 VAL 61 2HG1 VAL 61 2.755 1.496 25.854 467 3HG1 VAL 61 3HG1 VAL 61 1.891 1.753 27.371 468 1HG2 VAL 61 1HG2 VAL 61 3.398 4.948 27.581 469 2HG2 VAL 61 2HG2 VAL 61 2.972 3.432 28.374 470 3HG2 VAL 61 3HG2 VAL 61 4.316 3.483 27.234 471 H PHE 62 H PHE 62 4.538 5.556 26.152 472 HA PHE 62 HA PHE 62 3.240 7.949 26.055 473 1HB PHE 62 1HB PHE 62 6.203 7.806 25.541 474 2HB PHE 62 2HB PHE 62 5.308 9.009 26.463 475 HD1 PHE 62 1HD PHE 62 7.698 6.805 26.974 476 HD2 PHE 62 2HD PHE 62 3.692 7.434 28.266 477 HE1 PHE 62 1HE PHE 62 8.175 5.563 29.044 478 HE2 PHE 62 2HE PHE 62 4.162 6.195 30.338 479 HZ PHE 62 HZ PHE 62 6.406 5.258 30.730 480 H ASP 63 H ASP 63 5.009 6.389 23.463 481 HA ASP 63 HA ASP 63 4.646 8.689 21.707 482 1HB ASP 63 1HB ASP 63 6.194 6.127 21.532 483 2HB ASP 63 2HB ASP 63 5.820 7.023 20.062 484 H LEU 64 H LEU 64 2.344 8.606 21.598 485 HA LEU 64 HA LEU 64 0.964 6.303 20.644 486 1HB LEU 64 1HB LEU 64 0.023 9.161 20.544 487 2HB LEU 64 2HB LEU 64 -0.970 7.704 20.532 488 HG LEU 64 HG LEU 64 0.687 8.665 22.865 489 1HD1 LEU 64 1HD1 LEU 64 -1.850 8.796 23.714 490 2HD1 LEU 64 2HD1 LEU 64 -2.092 9.180 22.011 491 3HD1 LEU 64 3HD1 LEU 64 -1.001 10.161 22.989 492 1HD2 LEU 64 1HD2 LEU 64 -0.126 6.112 22.325 493 2HD2 LEU 64 2HD2 LEU 64 -1.460 6.727 23.301 494 3HD2 LEU 64 3HD2 LEU 64 0.187 6.763 23.934 495 H ILE 65 H ILE 65 2.851 8.676 19.128 496 HA ILE 65 HA ILE 65 1.532 8.721 16.594 497 HB ILE 65 HB ILE 65 4.381 9.447 17.283 498 1HG1 ILE 65 1HG1 ILE 65 2.826 10.823 18.525 499 2HG1 ILE 65 2HG1 ILE 65 3.509 11.781 17.216 500 1HG2 ILE 65 1HG2 ILE 65 3.250 10.829 15.027 501 2HG2 ILE 65 2HG2 ILE 65 4.733 9.882 15.134 502 3HG2 ILE 65 3HG2 ILE 65 3.201 9.084 14.778 503 1HD1 ILE 65 1HD1 ILE 65 1.460 11.340 15.898 504 2HD1 ILE 65 2HD1 ILE 65 0.779 10.526 17.307 505 3HD1 ILE 65 3HD1 ILE 65 1.172 12.243 17.385 506 H ASN 66 H ASN 66 4.476 7.115 17.794 507 HA ASN 66 HA ASN 66 4.905 5.661 15.378 508 1HB ASN 66 1HB ASN 66 6.015 4.834 18.046 509 2HB ASN 66 2HB ASN 66 6.752 4.695 16.453 510 1HD2 ASN 66 1HD2 ASN 66 6.156 7.347 15.600 511 2HD2 ASN 66 2HD2 ASN 66 7.179 8.416 16.492 512 H LYS 67 H LYS 67 3.457 4.890 18.510 513 HA LYS 67 HA LYS 67 3.074 2.158 18.172 514 1HB LYS 67 1HB LYS 67 2.570 3.806 20.184 515 2HB LYS 67 2HB LYS 67 0.946 3.767 19.511 516 1HG LYS 67 1HG LYS 67 0.987 2.109 21.169 517 2HG LYS 67 2HG LYS 67 1.103 1.243 19.635 518 1HD LYS 67 1HD LYS 67 3.269 0.613 19.998 519 2HD LYS 67 2HD LYS 67 3.633 2.035 20.977 520 1HE LYS 67 1HE LYS 67 1.679 0.062 22.038 521 2HE LYS 67 2HE LYS 67 3.386 -0.377 22.044 522 1HZ LYS 67 1HZ LYS 67 3.201 2.221 23.015 523 2HZ LYS 67 2HZ LYS 67 3.620 0.823 23.871 524 3HZ LYS 67 3HZ LYS 67 2.006 1.324 23.809 525 H ALA 68 H ALA 68 1.050 4.869 17.138 526 HA ALA 68 HA ALA 68 -1.174 3.470 16.241 527 1HB ALA 68 1HB ALA 68 -0.854 5.983 16.413 528 2HB ALA 68 2HB ALA 68 -0.080 5.887 14.831 529 3HB ALA 68 3HB ALA 68 -1.762 5.394 15.021 530 H LYS 69 H LYS 69 1.746 4.379 14.418 531 HA LYS 69 HA LYS 69 0.955 3.106 12.015 532 1HB LYS 69 1HB LYS 69 3.467 4.284 13.087 533 2HB LYS 69 2HB LYS 69 3.613 3.174 11.731 534 1HG LYS 69 1HG LYS 69 3.397 5.123 10.592 535 2HG LYS 69 2HG LYS 69 1.691 4.697 10.743 536 1HD LYS 69 1HD LYS 69 1.639 6.091 12.837 537 2HD LYS 69 2HD LYS 69 3.261 6.649 12.419 538 1HE LYS 69 1HE LYS 69 2.524 7.831 10.583 539 2HE LYS 69 2HE LYS 69 1.079 6.839 10.393 540 1HZ LYS 69 1HZ LYS 69 1.023 8.171 12.885 541 2HZ LYS 69 2HZ LYS 69 -0.072 8.275 11.600 542 3HZ LYS 69 3HZ LYS 69 1.275 9.297 11.648 543 H TRP 70 H TRP 70 3.156 2.114 14.626 544 HA TRP 70 HA TRP 70 4.068 -0.277 13.660 545 1HB TRP 70 1HB TRP 70 4.559 0.872 15.910 546 2HB TRP 70 2HB TRP 70 3.161 -0.009 16.519 547 HD1 TRP 70 HD TRP 70 6.687 -0.635 15.105 548 HE1 TRP 70 1HE TRP 70 7.468 -2.960 15.884 549 HE3 TRP 70 3HE TRP 70 2.374 -2.234 17.336 550 HZ2 TRP 70 2HZ TRP 70 6.397 -5.180 17.261 551 HZ3 TRP 70 3HZ TRP 70 2.336 -4.471 18.360 552 HH2 TRP 70 HH TRP 70 4.307 -5.912 18.322 553 H ASP 71 H ASP 71 0.940 0.376 15.163 554 HA ASP 71 HA ASP 71 0.089 -2.352 15.147 555 1HB ASP 71 1HB ASP 71 -1.231 0.285 15.663 556 2HB ASP 71 2HB ASP 71 -2.232 -1.141 15.405 557 H ALA 72 H ALA 72 0.015 0.263 12.868 558 HA ALA 72 HA ALA 72 -1.996 -0.890 11.171 559 1HB ALA 72 1HB ALA 72 -0.059 1.124 10.148 560 2HB ALA 72 2HB ALA 72 -1.797 0.986 9.878 561 3HB ALA 72 3HB ALA 72 -1.189 1.604 11.414 562 H TRP 73 H TRP 73 1.541 -0.712 11.159 563 HA TRP 73 HA TRP 73 1.739 -2.221 8.703 564 1HB TRP 73 1HB TRP 73 3.385 -0.462 9.268 565 2HB TRP 73 2HB TRP 73 3.902 -1.411 10.659 566 HD1 TRP 73 HD TRP 73 3.225 -3.533 7.662 567 HE1 TRP 73 1HE TRP 73 5.444 -4.277 6.592 568 HE3 TRP 73 3HE TRP 73 6.421 -0.458 10.203 569 HZ2 TRP 73 2HZ TRP 73 8.187 -3.645 6.799 570 HZ3 TRP 73 3HZ TRP 73 8.828 -0.590 9.708 571 HH2 TRP 73 HH TRP 73 9.691 -2.152 8.041 572 H ASN 74 H ASN 74 2.010 -2.813 12.148 573 HA ASN 74 HA ASN 74 3.192 -5.372 12.006 574 1HB ASN 74 1HB ASN 74 3.194 -4.157 14.092 575 2HB ASN 74 2HB ASN 74 1.434 -4.113 14.119 576 1HD2 ASN 74 1HD2 ASN 74 1.016 -5.228 15.927 577 2HD2 ASN 74 2HD2 ASN 74 1.484 -6.869 16.200 578 H ALA 75 H ALA 75 -0.210 -4.380 12.349 579 HA ALA 75 HA ALA 75 -1.549 -6.692 12.569 580 1HB ALA 75 1HB ALA 75 -2.133 -4.123 11.460 581 2HB ALA 75 2HB ALA 75 -2.903 -5.373 10.483 582 3HB ALA 75 3HB ALA 75 -3.225 -5.284 12.215 583 H LEU 76 H LEU 76 -0.349 -5.435 9.457 584 HA LEU 76 HA LEU 76 -1.201 -7.336 7.719 585 1HB LEU 76 1HB LEU 76 1.421 -5.892 7.886 586 2HB LEU 76 2HB LEU 76 1.076 -7.013 6.570 587 HG LEU 76 HG LEU 76 0.712 -4.608 6.017 588 1HD1 LEU 76 1HD1 LEU 76 -0.957 -5.125 4.577 589 2HD1 LEU 76 2HD1 LEU 76 -1.964 -5.853 5.828 590 3HD1 LEU 76 3HD1 LEU 76 -0.610 -6.757 5.150 591 1HD2 LEU 76 1HD2 LEU 76 -0.149 -3.890 8.192 592 2HD2 LEU 76 2HD2 LEU 76 -1.593 -4.873 7.946 593 3HD2 LEU 76 3HD2 LEU 76 -1.272 -3.497 6.890 594 H GLY 77 H GLY 77 1.870 -7.551 9.531 595 1HA GLY 77 1HA GLY 77 2.757 -9.465 10.548 596 2HA GLY 77 2HA GLY 77 1.514 -10.429 9.764 597 H SER 78 H SER 78 2.489 -11.922 8.567 598 HA SER 78 HA SER 78 5.016 -11.350 7.258 599 1HB SER 78 1HB SER 78 3.362 -13.887 7.299 600 2HB SER 78 2HB SER 78 4.999 -13.737 6.660 601 HG SER 78 HG SER 78 5.668 -13.151 8.782 602 H LEU 79 H LEU 79 2.635 -9.950 6.350 603 HA LEU 79 HA LEU 79 1.625 -11.056 3.962 604 1HB LEU 79 1HB LEU 79 0.790 -9.059 5.384 605 2HB LEU 79 2HB LEU 79 1.903 -8.108 4.404 606 HG LEU 79 HG LEU 79 -0.426 -8.007 3.600 607 1HD1 LEU 79 1HD1 LEU 79 0.937 -9.496 1.449 608 2HD1 LEU 79 2HD1 LEU 79 1.820 -8.135 2.139 609 3HD1 LEU 79 3HD1 LEU 79 0.220 -7.884 1.442 610 1HD2 LEU 79 1HD2 LEU 79 -0.384 -10.764 4.093 611 2HD2 LEU 79 2HD2 LEU 79 -0.515 -10.589 2.343 612 3HD2 LEU 79 3HD2 LEU 79 -1.698 -9.815 3.398 613 HA PRO 80 HA PRO 80 5.265 -10.585 1.445 614 1HB PRO 80 1HB PRO 80 4.127 -11.457 -0.861 615 2HB PRO 80 2HB PRO 80 4.629 -12.549 0.435 616 1HG PRO 80 1HG PRO 80 1.901 -11.491 -0.202 617 2HG PRO 80 2HG PRO 80 2.385 -13.134 0.257 618 1HD PRO 80 1HD PRO 80 1.288 -11.393 2.017 619 2HD PRO 80 2HD PRO 80 2.483 -12.614 2.501 620 H LYS 81 H LYS 81 6.019 -9.148 -0.097 621 HA LYS 81 HA LYS 81 4.798 -6.666 -0.320 622 1HB LYS 81 1HB LYS 81 6.878 -7.972 -2.077 623 2HB LYS 81 2HB LYS 81 6.415 -6.281 -2.213 624 1HG LYS 81 1HG LYS 81 7.360 -5.725 -0.169 625 2HG LYS 81 2HG LYS 81 7.354 -7.396 0.399 626 1HD LYS 81 1HD LYS 81 9.046 -7.910 -1.378 627 2HD LYS 81 2HD LYS 81 9.141 -6.178 -1.702 628 1HE LYS 81 1HE LYS 81 10.062 -5.720 0.399 629 2HE LYS 81 2HE LYS 81 9.553 -7.273 1.060 630 1HZ LYS 81 1HZ LYS 81 11.657 -7.862 0.656 631 2HZ LYS 81 2HZ LYS 81 11.926 -6.598 -0.436 632 3HZ LYS 81 3HZ LYS 81 11.166 -8.018 -0.956 633 H GLU 82 H GLU 82 4.750 -9.402 -2.566 634 HA GLU 82 HA GLU 82 3.540 -8.298 -4.760 635 1HB GLU 82 1HB GLU 82 2.991 -11.006 -3.533 636 2HB GLU 82 2HB GLU 82 2.532 -10.533 -5.163 637 1HG GLU 82 1HG GLU 82 5.005 -10.063 -5.545 638 2HG GLU 82 2HG GLU 82 5.281 -10.949 -4.046 639 H ALA 83 H ALA 83 1.909 -9.576 -1.870 640 HA ALA 83 HA ALA 83 -0.691 -8.775 -2.790 641 1HB ALA 83 1HB ALA 83 -1.033 -10.513 -1.400 642 2HB ALA 83 2HB ALA 83 0.413 -10.174 -0.448 643 3HB ALA 83 3HB ALA 83 -1.066 -9.257 -0.162 644 H ALA 84 H ALA 84 1.652 -7.561 -0.428 645 HA ALA 84 HA ALA 84 0.186 -5.569 0.782 646 1HB ALA 84 1HB ALA 84 2.998 -6.162 0.400 647 2HB ALA 84 2HB ALA 84 2.686 -4.427 0.478 648 3HB ALA 84 3HB ALA 84 2.166 -5.477 1.797 649 H ARG 85 H ARG 85 1.890 -5.456 -2.320 650 HA ARG 85 HA ARG 85 1.476 -2.723 -2.848 651 1HB ARG 85 1HB ARG 85 1.931 -5.082 -4.673 652 2HB ARG 85 2HB ARG 85 1.817 -3.429 -5.263 653 1HG ARG 85 1HG ARG 85 3.697 -2.906 -3.608 654 2HG ARG 85 2HG ARG 85 3.919 -4.655 -3.518 655 1HD ARG 85 1HD ARG 85 3.762 -3.398 -6.206 656 2HD ARG 85 2HD ARG 85 5.234 -3.160 -5.266 657 HE ARG 85 HE ARG 85 4.861 -5.826 -5.124 658 1HH1 ARG 85 2HH1 ARG 85 4.925 -3.579 -7.783 659 2HH1 ARG 85 1HH1 ARG 85 5.535 -4.738 -8.918 660 1HH2 ARG 85 2HH2 ARG 85 5.663 -7.361 -6.609 661 2HH2 ARG 85 1HH2 ARG 85 5.953 -6.889 -8.249 662 H GLN 86 H GLN 86 -0.435 -5.595 -3.639 663 HA GLN 86 HA GLN 86 -2.373 -4.284 -5.212 664 1HB GLN 86 1HB GLN 86 -1.858 -6.847 -4.795 665 2HB GLN 86 2HB GLN 86 -3.113 -6.668 -3.577 666 1HG GLN 86 1HG GLN 86 -3.338 -6.261 -6.541 667 2HG GLN 86 2HG GLN 86 -4.170 -7.445 -5.534 668 1HE2 GLN 86 1HE2 GLN 86 -4.417 -4.499 -7.053 669 2HE2 GLN 86 2HE2 GLN 86 -5.809 -3.886 -6.233 670 H ASN 87 H ASN 87 -2.210 -5.006 -1.753 671 HA ASN 87 HA ASN 87 -4.785 -4.188 -1.042 672 1HB ASN 87 1HB ASN 87 -2.192 -4.480 0.400 673 2HB ASN 87 2HB ASN 87 -3.482 -3.587 1.200 674 1HD2 ASN 87 1HD2 ASN 87 -2.140 -6.561 0.787 675 2HD2 ASN 87 2HD2 ASN 87 -3.479 -7.547 1.256 676 H TYR 88 H TYR 88 -1.749 -2.330 -1.054 677 HA TYR 88 HA TYR 88 -2.708 0.092 -0.139 678 1HB TYR 88 1HB TYR 88 -0.310 -0.478 -0.588 679 2HB TYR 88 2HB TYR 88 -0.625 -0.244 -2.304 680 HD1 TYR 88 1HD TYR 88 0.528 1.302 0.622 681 HD2 TYR 88 2HD TYR 88 -1.722 2.096 -2.901 682 HE1 TYR 88 1HE TYR 88 0.998 3.703 0.870 683 HE2 TYR 88 2HE TYR 88 -1.257 4.499 -2.664 684 HH TYR 88 HH TYR 88 1.109 5.736 -0.765 685 H VAL 89 H VAL 89 -2.257 -0.774 -3.573 686 HA VAL 89 HA VAL 89 -3.557 1.442 -4.650 687 HB VAL 89 HB VAL 89 -3.874 0.055 -6.694 688 1HG1 VAL 89 1HG1 VAL 89 -1.607 0.005 -7.256 689 2HG1 VAL 89 2HG1 VAL 89 -1.703 1.223 -5.983 690 3HG1 VAL 89 3HG1 VAL 89 -1.113 -0.397 -5.612 691 1HG2 VAL 89 1HG2 VAL 89 -4.350 -2.093 -5.844 692 2HG2 VAL 89 2HG2 VAL 89 -2.772 -2.230 -6.621 693 3HG2 VAL 89 3HG2 VAL 89 -2.883 -2.117 -4.865 694 H ASP 90 H ASP 90 -4.856 -1.803 -3.975 695 HA ASP 90 HA ASP 90 -7.402 -1.602 -4.892 696 1HB ASP 90 1HB ASP 90 -6.344 -3.549 -3.651 697 2HB ASP 90 2HB ASP 90 -6.787 -2.726 -2.158 698 H LEU 91 H LEU 91 -6.071 -0.036 -2.055 699 HA LEU 91 HA LEU 91 -8.590 0.878 -1.049 700 1HB LEU 91 1HB LEU 91 -6.636 0.555 0.395 701 2HB LEU 91 2HB LEU 91 -5.793 1.842 -0.464 702 HG LEU 91 HG LEU 91 -6.683 2.517 1.753 703 1HD1 LEU 91 1HD1 LEU 91 -8.138 4.046 -0.370 704 2HD1 LEU 91 2HD1 LEU 91 -6.376 4.037 -0.308 705 3HD1 LEU 91 3HD1 LEU 91 -7.302 4.644 1.064 706 1HD2 LEU 91 1HD2 LEU 91 -9.111 2.901 1.952 707 2HD2 LEU 91 2HD2 LEU 91 -8.704 1.191 1.807 708 3HD2 LEU 91 3HD2 LEU 91 -9.350 2.065 0.417 709 H VAL 92 H VAL 92 -5.817 2.705 -2.361 710 HA VAL 92 HA VAL 92 -6.924 5.162 -2.661 711 HB VAL 92 HB VAL 92 -5.172 3.836 -4.734 712 1HG1 VAL 92 1HG1 VAL 92 -4.836 6.689 -4.232 713 2HG1 VAL 92 2HG1 VAL 92 -4.970 5.814 -5.758 714 3HG1 VAL 92 3HG1 VAL 92 -6.425 6.275 -4.874 715 1HG2 VAL 92 1HG2 VAL 92 -3.930 3.606 -2.805 716 2HG2 VAL 92 2HG2 VAL 92 -3.402 5.189 -3.374 717 3HG2 VAL 92 3HG2 VAL 92 -4.591 5.070 -2.077 718 H SER 93 H SER 93 -7.535 2.341 -4.647 719 HA SER 93 HA SER 93 -8.909 3.697 -6.734 720 1HB SER 93 1HB SER 93 -7.925 1.421 -6.969 721 2HB SER 93 2HB SER 93 -9.174 0.801 -5.889 722 HG SER 93 HG SER 93 -10.706 1.683 -7.456 723 H SER 94 H SER 94 -9.905 2.213 -3.703 724 HA SER 94 HA SER 94 -12.679 2.247 -4.122 725 1HB SER 94 1HB SER 94 -10.893 2.102 -1.744 726 2HB SER 94 2HB SER 94 -12.582 2.523 -1.463 727 HG SER 94 HG SER 94 -11.607 0.131 -1.800 728 H LEU 95 H LEU 95 -10.495 4.679 -2.766 729 HA LEU 95 HA LEU 95 -12.495 6.535 -2.036 730 1HB LEU 95 1HB LEU 95 -9.600 6.989 -2.746 731 2HB LEU 95 2HB LEU 95 -10.654 8.173 -1.976 732 HG LEU 95 HG LEU 95 -10.026 5.513 -0.719 733 1HD1 LEU 95 1HD1 LEU 95 -8.084 6.250 0.140 734 2HD1 LEU 95 2HD1 LEU 95 -8.656 7.911 0.289 735 3HD1 LEU 95 3HD1 LEU 95 -8.086 7.312 -1.269 736 1HD2 LEU 95 1HD2 LEU 95 -10.459 7.362 1.247 737 2HD2 LEU 95 2HD2 LEU 95 -11.666 6.240 0.619 738 3HD2 LEU 95 3HD2 LEU 95 -11.579 7.886 -0.010 739 H SER 96 H SER 96 -10.328 6.449 -4.867 740 HA SER 96 HA SER 96 -11.470 8.659 -6.177 741 1HB SER 96 1HB SER 96 -9.742 6.368 -7.032 742 2HB SER 96 2HB SER 96 -10.456 7.409 -8.263 743 HG SER 96 HG SER 96 -8.592 8.042 -6.257 744 HA PRO 97 HA PRO 97 -15.336 6.829 -7.394 745 1HB PRO 97 1HB PRO 97 -16.212 8.949 -8.847 746 2HB PRO 97 2HB PRO 97 -16.240 8.918 -7.080 747 1HG PRO 97 1HG PRO 97 -14.256 10.197 -8.920 748 2HG PRO 97 2HG PRO 97 -14.975 10.837 -7.432 749 1HD PRO 97 1HD PRO 97 -12.487 9.773 -7.506 750 2HD PRO 97 2HD PRO 97 -13.534 9.655 -6.076 751 H SER 98 H SER 98 -13.425 8.640 -9.801 752 HA SER 98 HA SER 98 -14.139 6.579 -11.784 753 1HB SER 98 1HB SER 98 -14.882 9.081 -12.080 754 2HB SER 98 2HB SER 98 -13.210 9.312 -12.592 755 HG SER 98 HG SER 98 -14.114 8.748 -14.444 756 H LEU 99 H LEU 99 -12.531 5.386 -12.560 757 HA LEU 99 HA LEU 99 -9.828 6.478 -12.683 758 1HB LEU 99 1HB LEU 99 -10.387 5.103 -10.507 759 2HB LEU 99 2HB LEU 99 -10.139 3.728 -11.581 760 HG LEU 99 HG LEU 99 -8.075 5.884 -11.187 761 1HD1 LEU 99 1HD1 LEU 99 -7.664 5.093 -9.158 762 2HD1 LEU 99 2HD1 LEU 99 -7.269 3.536 -9.885 763 3HD1 LEU 99 3HD1 LEU 99 -8.913 3.860 -9.336 764 1HD2 LEU 99 1HD2 LEU 99 -6.590 3.984 -11.948 765 2HD2 LEU 99 2HD2 LEU 99 -7.671 4.659 -13.167 766 3HD2 LEU 99 3HD2 LEU 99 -8.067 3.126 -12.389 767 H GLU 100 H GLU 100 -9.106 6.135 -14.668 768 HA GLU 100 HA GLU 100 -10.320 4.123 -16.354 769 1HB GLU 100 1HB GLU 100 -8.272 6.279 -16.824 770 2HB GLU 100 2HB GLU 100 -8.648 5.078 -18.051 771 1HG GLU 100 1HG GLU 100 -10.914 5.810 -18.179 772 2HG GLU 100 2HG GLU 100 -10.703 6.871 -16.787 773 H SER 101 H SER 101 -9.141 2.502 -17.493 774 HA SER 101 HA SER 101 -7.654 0.791 -17.701 775 1HB SER 101 1HB SER 101 -5.998 2.676 -17.892 776 2HB SER 101 2HB SER 101 -5.711 2.523 -16.159 777 HG SER 101 HG SER 101 -5.372 0.432 -18.048 778 H SER 102 H SER 102 -9.493 0.654 -15.646 779 HA SER 102 HA SER 102 -8.189 -1.211 -13.884 780 1HB SER 102 1HB SER 102 -8.797 -0.125 -11.793 781 2HB SER 102 2HB SER 102 -7.778 0.959 -12.740 782 HG SER 102 HG SER 102 -10.533 1.162 -13.093 783 H SER 103 H SER 103 -9.833 -2.147 -12.297 784 HA SER 103 HA SER 103 -11.971 -3.230 -13.685 785 1HB SER 103 1HB SER 103 -11.596 -2.907 -10.699 786 2HB SER 103 2HB SER 103 -12.837 -3.919 -11.437 787 HG SER 103 HG SER 103 -11.192 -5.293 -11.129 788 H GLN 104 H GLN 104 -14.025 -2.647 -14.080 789 HA GLN 104 HA GLN 104 -14.818 0.057 -13.472 790 1HB GLN 104 1HB GLN 104 -15.242 -1.315 -15.648 791 2HB GLN 104 2HB GLN 104 -16.613 -1.968 -14.764 792 1HG GLN 104 1HG GLN 104 -17.592 -0.222 -15.863 793 2HG GLN 104 2HG GLN 104 -17.167 0.542 -14.332 794 1HE2 GLN 104 1HE2 GLN 104 -17.600 1.759 -16.929 795 2HE2 GLN 104 2HE2 GLN 104 -16.138 2.590 -17.327 796 H VAL 105 H VAL 105 -15.410 0.383 -11.405 797 HA VAL 105 HA VAL 105 -17.229 -1.534 -10.130 798 HB VAL 105 HB VAL 105 -15.299 -1.012 -8.789 799 1HG1 VAL 105 1HG1 VAL 105 -15.593 1.569 -9.896 800 2HG1 VAL 105 2HG1 VAL 105 -15.737 1.733 -8.144 801 3HG1 VAL 105 3HG1 VAL 105 -14.308 0.973 -8.846 802 1HG2 VAL 105 1HG2 VAL 105 -17.264 -1.365 -7.502 803 2HG2 VAL 105 2HG2 VAL 105 -16.428 0.012 -6.784 804 3HG2 VAL 105 3HG2 VAL 105 -17.839 0.274 -7.808 805 H GLU 106 H GLU 106 -19.282 -1.030 -9.596 806 HA GLU 106 HA GLU 106 -20.455 1.315 -10.754 807 1HB GLU 106 1HB GLU 106 -21.583 -0.914 -10.659 808 2HB GLU 106 2HB GLU 106 -21.737 -0.715 -8.920 809 1HG GLU 106 1HG GLU 106 -22.992 1.431 -9.428 810 2HG GLU 106 2HG GLU 106 -23.059 0.867 -11.097 811 HA PRO 107 HA PRO 107 -19.997 3.971 -7.248 812 1HB PRO 107 1HB PRO 107 -21.726 5.905 -8.049 813 2HB PRO 107 2HB PRO 107 -20.117 5.704 -8.752 814 1HG PRO 107 1HG PRO 107 -22.768 4.787 -9.797 815 2HG PRO 107 2HG PRO 107 -21.421 5.539 -10.670 816 1HD PRO 107 1HD PRO 107 -21.880 2.871 -10.719 817 2HD PRO 107 2HD PRO 107 -20.247 3.561 -10.818 818 H GLY 108 H GLY 108 -21.070 4.455 -5.353 819 1HA GLY 108 1HA GLY 108 -23.931 4.143 -5.128 820 2HA GLY 108 2HA GLY 108 -23.019 2.853 -4.360 821 H THR 109 H THR 109 -22.467 6.362 -4.570 822 HA THR 109 HA THR 109 -22.880 6.608 -1.695 823 HB THR 109 HB THR 109 -20.294 7.521 -2.966 824 HG1 THR 109 1HG THR 109 -20.665 5.394 -1.109 825 1HG2 THR 109 1HG2 THR 109 -21.299 7.526 -0.119 826 2HG2 THR 109 2HG2 THR 109 -20.917 8.927 -1.120 827 3HG2 THR 109 3HG2 THR 109 -19.628 7.851 -0.581 828 H ASP 110 H ASP 110 -23.688 8.551 -1.114 829 HA ASP 110 HA ASP 110 -24.441 10.380 -3.201 830 1HB ASP 110 1HB ASP 110 -26.110 10.157 -1.592 831 2HB ASP 110 2HB ASP 110 -24.964 10.190 -0.254 832 H SER 111 H SER 111 -22.523 11.266 -3.975 833 HA SER 111 HA SER 111 -21.469 13.436 -2.362 834 1HB SER 111 1HB SER 111 -20.049 11.369 -1.904 835 2HB SER 111 2HB SER 111 -19.530 11.470 -3.586 836 HG SER 111 HG SER 111 -18.761 13.583 -3.128 837 H GLY 112 H GLY 112 -20.572 15.104 -3.572 838 1HA GLY 112 1HA GLY 112 -19.801 14.984 -6.253 839 2HA GLY 112 2HA GLY 112 -21.515 15.372 -6.221 840 HA PRO 113 HA PRO 113 -19.144 19.343 -5.994 841 1HB PRO 113 1HB PRO 113 -20.677 20.631 -7.827 842 2HB PRO 113 2HB PRO 113 -19.287 19.633 -8.269 843 1HG PRO 113 1HG PRO 113 -22.200 18.945 -8.306 844 2HG PRO 113 2HG PRO 113 -20.949 18.583 -9.510 845 1HD PRO 113 1HD PRO 113 -21.814 16.752 -7.712 846 2HD PRO 113 2HD PRO 113 -20.146 16.781 -8.318 847 H SER 114 H SER 114 -19.711 21.106 -4.797 848 HA SER 114 HA SER 114 -22.501 21.218 -3.858 849 1HB SER 114 1HB SER 114 -21.696 22.064 -1.750 850 2HB SER 114 2HB SER 114 -20.773 20.611 -2.138 851 HG SER 114 HG SER 114 -19.482 22.407 -1.408 852 H SER 115 H SER 115 -21.819 22.493 -6.224 853 HA SER 115 HA SER 115 -20.997 25.151 -6.009 854 1HB SER 115 1HB SER 115 -21.359 23.782 -8.133 855 2HB SER 115 2HB SER 115 -23.070 24.183 -7.980 856 HG SER 115 HG SER 115 -21.112 25.662 -9.008 857 H GLY 116 H GLY 116 -21.921 26.945 -5.246 858 1HA GLY 116 1HA GLY 116 -23.704 28.434 -4.835 859 2HA GLY 116 2HA GLY 116 -24.832 27.098 -5.019 Start of MODEL 5 1 1H GLY 1 H GLY 1 -35.396 -15.873 -12.906 2 1HA GLY 1 1HA GLY 1 -36.966 -17.553 -14.729 3 2HA GLY 1 2HA GLY 1 -37.087 -15.807 -14.892 4 H SER 2 H SER 2 -35.126 -14.617 -15.402 5 HA SER 2 HA SER 2 -33.485 -16.121 -17.277 6 1HB SER 2 1HB SER 2 -33.950 -13.193 -16.769 7 2HB SER 2 2HB SER 2 -32.584 -13.730 -17.748 8 HG SER 2 HG SER 2 -35.343 -14.181 -18.220 9 H SER 3 H SER 3 -31.717 -17.073 -16.524 10 HA SER 3 HA SER 3 -30.167 -15.711 -14.422 11 1HB SER 3 1HB SER 3 -30.922 -17.823 -13.597 12 2HB SER 3 2HB SER 3 -30.453 -18.646 -15.085 13 HG SER 3 HG SER 3 -28.320 -18.388 -14.547 14 H GLY 4 H GLY 4 -28.663 -14.537 -15.475 15 1HA GLY 4 1HA GLY 4 -27.390 -15.457 -17.880 16 2HA GLY 4 2HA GLY 4 -26.991 -14.002 -16.979 17 H SER 5 H SER 5 -25.270 -16.094 -18.191 18 HA SER 5 HA SER 5 -23.840 -16.927 -15.751 19 1HB SER 5 1HB SER 5 -22.947 -18.819 -17.023 20 2HB SER 5 2HB SER 5 -24.710 -18.841 -17.048 21 HG SER 5 HG SER 5 -24.709 -18.269 -19.133 22 H SER 6 H SER 6 -23.485 -15.797 -19.085 23 HA SER 6 HA SER 6 -20.663 -15.453 -18.946 24 1HB SER 6 1HB SER 6 -22.748 -14.346 -20.835 25 2HB SER 6 2HB SER 6 -21.017 -14.068 -21.029 26 HG SER 6 HG SER 6 -21.941 -16.694 -20.716 27 H GLY 7 H GLY 7 -19.549 -13.909 -17.958 28 1HA GLY 7 1HA GLY 7 -20.872 -11.311 -17.488 29 2HA GLY 7 2HA GLY 7 -19.963 -12.116 -16.218 30 H MET 8 H MET 8 -18.336 -10.681 -15.911 31 HA MET 8 HA MET 8 -16.475 -10.340 -18.154 32 1HB MET 8 1HB MET 8 -17.987 -8.289 -17.666 33 2HB MET 8 2HB MET 8 -16.982 -8.083 -16.238 34 1HG MET 8 1HG MET 8 -15.749 -8.339 -18.949 35 2HG MET 8 2HG MET 8 -16.390 -6.798 -18.385 36 1HE MET 8 1HE MET 8 -12.535 -6.341 -18.069 37 2HE MET 8 2HE MET 8 -13.038 -7.701 -19.072 38 3HE MET 8 3HE MET 8 -13.937 -6.184 -19.128 39 H ASN 9 H ASN 9 -14.415 -10.751 -17.638 40 HA ASN 9 HA ASN 9 -13.749 -11.013 -14.780 41 1HB ASN 9 1HB ASN 9 -12.670 -12.507 -17.178 42 2HB ASN 9 2HB ASN 9 -11.989 -12.630 -15.559 43 1HD2 ASN 9 1HD2 ASN 9 -12.457 -14.875 -15.651 44 2HD2 ASN 9 2HD2 ASN 9 -14.057 -15.452 -15.349 45 H ARG 10 H ARG 10 -11.849 -10.145 -14.009 46 HA ARG 10 HA ARG 10 -10.677 -8.060 -15.666 47 1HB ARG 10 1HB ARG 10 -10.467 -8.727 -12.732 48 2HB ARG 10 2HB ARG 10 -9.489 -7.479 -13.492 49 1HG ARG 10 1HG ARG 10 -11.244 -6.267 -12.632 50 2HG ARG 10 2HG ARG 10 -11.765 -6.536 -14.296 51 1HD ARG 10 1HD ARG 10 -13.633 -6.981 -12.893 52 2HD ARG 10 2HD ARG 10 -13.036 -8.534 -13.476 53 HE ARG 10 HE ARG 10 -12.483 -9.100 -11.322 54 1HH1 ARG 10 2HH1 ARG 10 -13.163 -5.690 -11.489 55 2HH1 ARG 10 1HH1 ARG 10 -13.144 -5.469 -9.770 56 1HH2 ARG 10 2HH2 ARG 10 -12.455 -8.822 -9.058 57 2HH2 ARG 10 1HH2 ARG 10 -12.739 -7.251 -8.389 58 H THR 11 H THR 11 -9.510 -9.441 -17.104 59 HA THR 11 HA THR 11 -7.800 -11.454 -16.706 60 HB THR 11 HB THR 11 -6.294 -10.498 -18.460 61 HG1 THR 11 1HG THR 11 -7.849 -8.231 -17.876 62 1HG2 THR 11 1HG2 THR 11 -9.203 -10.875 -18.697 63 2HG2 THR 11 2HG2 THR 11 -7.885 -11.626 -19.596 64 3HG2 THR 11 3HG2 THR 11 -8.448 -10.015 -20.039 65 H ALA 12 H ALA 12 -7.238 -8.137 -15.710 66 HA ALA 12 HA ALA 12 -4.585 -8.839 -14.689 67 1HB ALA 12 1HB ALA 12 -4.780 -6.782 -16.000 68 2HB ALA 12 2HB ALA 12 -5.942 -6.149 -14.832 69 3HB ALA 12 3HB ALA 12 -4.274 -6.450 -14.343 70 H MET 13 H MET 13 -4.968 -10.014 -12.849 71 HA MET 13 HA MET 13 -6.697 -8.837 -10.795 72 1HB MET 13 1HB MET 13 -6.623 -11.002 -9.704 73 2HB MET 13 2HB MET 13 -7.065 -11.207 -11.393 74 1HG MET 13 1HG MET 13 -5.551 -12.892 -11.144 75 2HG MET 13 2HG MET 13 -4.500 -11.594 -11.706 76 1HE MET 13 1HE MET 13 -5.330 -14.151 -9.546 77 2HE MET 13 2HE MET 13 -3.667 -14.404 -9.014 78 3HE MET 13 3HE MET 13 -4.868 -13.772 -7.886 79 H ARG 14 H ARG 14 -3.719 -8.296 -11.657 80 HA ARG 14 HA ARG 14 -2.726 -8.141 -8.891 81 1HB ARG 14 1HB ARG 14 -0.431 -8.533 -9.778 82 2HB ARG 14 2HB ARG 14 -1.496 -9.922 -9.942 83 1HG ARG 14 1HG ARG 14 -1.914 -8.838 -12.327 84 2HG ARG 14 2HG ARG 14 -0.303 -8.186 -12.021 85 1HD ARG 14 1HD ARG 14 -0.764 -11.075 -11.503 86 2HD ARG 14 2HD ARG 14 -0.671 -10.542 -13.180 87 HE ARG 14 HE ARG 14 1.498 -9.476 -11.742 88 1HH1 ARG 14 2HH1 ARG 14 0.306 -12.510 -12.966 89 2HH1 ARG 14 1HH1 ARG 14 1.883 -13.206 -13.144 90 1HH2 ARG 14 2HH2 ARG 14 3.578 -10.381 -11.973 91 2HH2 ARG 14 1HH2 ARG 14 3.743 -11.995 -12.578 92 H ALA 15 H ALA 15 -1.182 -6.421 -8.509 93 HA ALA 15 HA ALA 15 -1.723 -4.105 -10.228 94 1HB ALA 15 1HB ALA 15 -0.456 -3.938 -7.520 95 2HB ALA 15 2HB ALA 15 -1.406 -2.728 -8.384 96 3HB ALA 15 3HB ALA 15 -2.199 -4.144 -7.693 97 H SER 16 H SER 16 -0.085 -2.814 -11.036 98 HA SER 16 HA SER 16 2.593 -4.036 -10.991 99 1HB SER 16 1HB SER 16 2.788 -2.433 -13.106 100 2HB SER 16 2HB SER 16 2.066 -4.037 -13.230 101 HG SER 16 HG SER 16 0.848 -2.196 -14.147 102 H GLN 17 H GLN 17 4.386 -2.385 -11.412 103 HA GLN 17 HA GLN 17 4.597 -0.656 -9.261 104 1HB GLN 17 1HB GLN 17 6.589 -1.342 -10.350 105 2HB GLN 17 2HB GLN 17 6.041 -0.726 -11.903 106 1HG GLN 17 1HG GLN 17 7.661 0.791 -11.156 107 2HG GLN 17 2HG GLN 17 6.109 1.576 -10.868 108 1HE2 GLN 17 1HE2 GLN 17 5.518 2.090 -8.827 109 2HE2 GLN 17 2HE2 GLN 17 6.511 1.830 -7.437 110 H LYS 18 H LYS 18 4.147 0.308 -12.668 111 HA LYS 18 HA LYS 18 3.772 2.997 -12.343 112 1HB LYS 18 1HB LYS 18 2.329 2.895 -14.383 113 2HB LYS 18 2HB LYS 18 3.862 2.047 -14.544 114 1HG LYS 18 1HG LYS 18 2.604 -0.067 -13.959 115 2HG LYS 18 2HG LYS 18 1.124 0.871 -14.168 116 1HD LYS 18 1HD LYS 18 1.725 1.367 -16.463 117 2HD LYS 18 2HD LYS 18 3.270 0.536 -16.264 118 1HE LYS 18 1HE LYS 18 1.993 -1.550 -15.763 119 2HE LYS 18 2HE LYS 18 0.514 -0.684 -16.172 120 1HZ LYS 18 1HZ LYS 18 1.076 -0.584 -18.382 121 2HZ LYS 18 2HZ LYS 18 1.713 -2.093 -17.960 122 3HZ LYS 18 3HZ LYS 18 2.736 -0.753 -18.098 123 H ASP 19 H ASP 19 1.295 0.467 -12.075 124 HA ASP 19 HA ASP 19 -0.906 2.118 -11.614 125 1HB ASP 19 1HB ASP 19 -0.269 -0.711 -10.817 126 2HB ASP 19 2HB ASP 19 -1.778 0.051 -10.323 127 H PHE 20 H PHE 20 1.545 0.892 -9.407 128 HA PHE 20 HA PHE 20 0.287 1.680 -7.005 129 1HB PHE 20 1HB PHE 20 2.194 0.064 -7.183 130 2HB PHE 20 2HB PHE 20 3.257 1.429 -7.509 131 HD1 PHE 20 1HD PHE 20 3.685 3.109 -5.758 132 HD2 PHE 20 2HD PHE 20 1.446 -0.427 -4.984 133 HE1 PHE 20 1HE PHE 20 4.003 3.441 -3.341 134 HE2 PHE 20 2HE PHE 20 1.759 -0.100 -2.566 135 HZ PHE 20 HZ PHE 20 3.038 1.836 -1.741 136 H GLU 21 H GLU 21 3.005 3.206 -8.744 137 HA GLU 21 HA GLU 21 3.275 5.487 -7.253 138 1HB GLU 21 1HB GLU 21 3.643 4.970 -10.188 139 2HB GLU 21 2HB GLU 21 3.919 6.573 -9.521 140 1HG GLU 21 1HG GLU 21 5.409 5.208 -7.816 141 2HG GLU 21 2HG GLU 21 5.470 4.074 -9.164 142 H ASN 22 H ASN 22 0.752 4.686 -9.511 143 HA ASN 22 HA ASN 22 -0.282 7.344 -9.761 144 1HB ASN 22 1HB ASN 22 -1.417 4.628 -10.438 145 2HB ASN 22 2HB ASN 22 -2.294 6.128 -10.722 146 1HD2 ASN 22 1HD2 ASN 22 -1.107 4.013 -12.505 147 2HD2 ASN 22 2HD2 ASN 22 -0.166 4.901 -13.650 148 H SER 23 H SER 23 -1.374 4.434 -8.019 149 HA SER 23 HA SER 23 -3.600 5.504 -6.770 150 1HB SER 23 1HB SER 23 -1.669 3.360 -5.887 151 2HB SER 23 2HB SER 23 -3.111 3.768 -4.958 152 HG SER 23 HG SER 23 -3.134 3.019 -7.694 153 H MET 24 H MET 24 -0.293 5.287 -5.451 154 HA MET 24 HA MET 24 -0.748 6.620 -3.058 155 1HB MET 24 1HB MET 24 1.704 7.180 -3.153 156 2HB MET 24 2HB MET 24 1.322 5.477 -3.372 157 1HG MET 24 1HG MET 24 1.977 5.462 -5.549 158 2HG MET 24 2HG MET 24 1.570 7.158 -5.799 159 1HE MET 24 1HE MET 24 4.972 8.500 -6.176 160 2HE MET 24 2HE MET 24 3.685 7.749 -7.120 161 3HE MET 24 3HE MET 24 3.296 8.993 -5.931 162 H ASN 25 H ASN 25 -0.112 7.899 -6.273 163 HA ASN 25 HA ASN 25 0.346 10.577 -5.550 164 1HB ASN 25 1HB ASN 25 0.799 9.533 -7.801 165 2HB ASN 25 2HB ASN 25 -0.931 9.624 -8.118 166 1HD2 ASN 25 1HD2 ASN 25 -0.294 10.941 -9.933 167 2HD2 ASN 25 2HD2 ASN 25 0.009 12.625 -9.697 168 H GLN 26 H GLN 26 -2.635 8.936 -6.589 169 HA GLN 26 HA GLN 26 -4.381 11.065 -6.548 170 1HB GLN 26 1HB GLN 26 -4.983 8.254 -5.614 171 2HB GLN 26 2HB GLN 26 -6.162 9.442 -6.154 172 1HG GLN 26 1HG GLN 26 -5.077 9.434 -8.380 173 2HG GLN 26 2HG GLN 26 -4.020 8.141 -7.817 174 1HE2 GLN 26 1HE2 GLN 26 -7.323 9.017 -8.563 175 2HE2 GLN 26 2HE2 GLN 26 -7.907 7.405 -8.770 176 H VAL 27 H VAL 27 -3.405 9.001 -3.831 177 HA VAL 27 HA VAL 27 -5.057 10.195 -1.890 178 HB VAL 27 HB VAL 27 -2.395 8.818 -1.501 179 1HG1 VAL 27 1HG1 VAL 27 -2.935 10.095 0.456 180 2HG1 VAL 27 2HG1 VAL 27 -4.594 9.493 0.447 181 3HG1 VAL 27 3HG1 VAL 27 -3.259 8.395 0.795 182 1HG2 VAL 27 1HG2 VAL 27 -4.598 7.705 -2.583 183 2HG2 VAL 27 2HG2 VAL 27 -3.441 6.818 -1.591 184 3HG2 VAL 27 3HG2 VAL 27 -4.925 7.442 -0.870 185 H LYS 28 H LYS 28 -2.090 11.206 -3.336 186 HA LYS 28 HA LYS 28 -1.511 13.142 -1.245 187 1HB LYS 28 1HB LYS 28 -0.138 12.501 -3.859 188 2HB LYS 28 2HB LYS 28 0.403 13.759 -2.755 189 1HG LYS 28 1HG LYS 28 0.437 11.839 -1.004 190 2HG LYS 28 2HG LYS 28 0.474 10.795 -2.427 191 1HD LYS 28 1HD LYS 28 2.385 13.089 -2.143 192 2HD LYS 28 2HD LYS 28 2.712 11.533 -1.376 193 1HE LYS 28 1HE LYS 28 2.510 10.436 -3.569 194 2HE LYS 28 2HE LYS 28 2.235 12.008 -4.317 195 1HZ LYS 28 1HZ LYS 28 4.587 12.067 -2.747 196 2HZ LYS 28 2HZ LYS 28 4.407 12.357 -4.404 197 3HZ LYS 28 3HZ LYS 28 4.666 10.781 -3.844 198 H LEU 29 H LEU 29 -3.269 12.968 -4.160 199 HA LEU 29 HA LEU 29 -3.048 15.703 -4.944 200 1HB LEU 29 1HB LEU 29 -4.717 13.374 -5.710 201 2HB LEU 29 2HB LEU 29 -5.335 14.978 -6.101 202 HG LEU 29 HG LEU 29 -3.452 15.437 -7.502 203 1HD1 LEU 29 1HD1 LEU 29 -1.949 13.980 -5.888 204 2HD1 LEU 29 2HD1 LEU 29 -1.495 14.273 -7.567 205 3HD1 LEU 29 3HD1 LEU 29 -2.255 12.748 -7.113 206 1HD2 LEU 29 1HD2 LEU 29 -3.964 14.045 -9.258 207 2HD2 LEU 29 2HD2 LEU 29 -5.368 13.809 -8.217 208 3HD2 LEU 29 3HD2 LEU 29 -4.072 12.612 -8.235 209 H LEU 30 H LEU 30 -5.324 13.855 -2.981 210 HA LEU 30 HA LEU 30 -7.178 15.987 -2.629 211 1HB LEU 30 1HB LEU 30 -8.203 14.594 -0.961 212 2HB LEU 30 2HB LEU 30 -7.768 13.614 -2.359 213 HG LEU 30 HG LEU 30 -5.617 13.126 -0.895 214 1HD1 LEU 30 1HD1 LEU 30 -7.196 14.624 0.887 215 2HD1 LEU 30 2HD1 LEU 30 -5.698 13.759 1.226 216 3HD1 LEU 30 3HD1 LEU 30 -7.250 12.951 1.442 217 1HD2 LEU 30 1HD2 LEU 30 -7.165 11.449 -1.740 218 2HD2 LEU 30 2HD2 LEU 30 -8.306 11.833 -0.451 219 3HD2 LEU 30 3HD2 LEU 30 -6.742 11.117 -0.060 220 H LYS 31 H LYS 31 -7.054 17.694 -1.335 221 HA LYS 31 HA LYS 31 -4.883 17.820 0.623 222 1HB LYS 31 1HB LYS 31 -6.657 19.976 -0.536 223 2HB LYS 31 2HB LYS 31 -5.406 20.260 0.668 224 1HG LYS 31 1HG LYS 31 -4.665 18.897 -1.871 225 2HG LYS 31 2HG LYS 31 -4.946 20.640 -1.883 226 1HD LYS 31 1HD LYS 31 -3.230 21.011 -0.281 227 2HD LYS 31 2HD LYS 31 -3.089 19.286 0.065 228 1HE LYS 31 1HE LYS 31 -1.981 18.848 -1.919 229 2HE LYS 31 2HE LYS 31 -2.608 20.295 -2.707 230 1HZ LYS 31 1HZ LYS 31 -0.141 20.019 -1.579 231 2HZ LYS 31 2HZ LYS 31 -0.999 20.910 -0.425 232 3HZ LYS 31 3HZ LYS 31 -0.877 21.480 -2.013 233 H LYS 32 H LYS 32 -7.701 16.537 0.833 234 HA LYS 32 HA LYS 32 -8.442 17.840 3.371 235 1HB LYS 32 1HB LYS 32 -10.205 16.309 1.449 236 2HB LYS 32 2HB LYS 32 -10.724 16.960 2.999 237 1HG LYS 32 1HG LYS 32 -11.450 18.604 1.598 238 2HG LYS 32 2HG LYS 32 -9.840 19.215 1.986 239 1HD LYS 32 1HD LYS 32 -8.959 18.484 -0.081 240 2HD LYS 32 2HD LYS 32 -10.373 17.481 -0.415 241 1HE LYS 32 1HE LYS 32 -11.650 19.757 -0.291 242 2HE LYS 32 2HE LYS 32 -10.057 20.446 -0.599 243 1HZ LYS 32 1HZ LYS 32 -11.821 19.031 -2.382 244 2HZ LYS 32 2HZ LYS 32 -10.220 18.490 -2.448 245 3HZ LYS 32 3HZ LYS 32 -10.574 20.120 -2.732 246 H ASP 33 H ASP 33 -7.128 16.590 4.686 247 HA ASP 33 HA ASP 33 -6.546 13.955 4.670 248 1HB ASP 33 1HB ASP 33 -6.269 14.043 7.058 249 2HB ASP 33 2HB ASP 33 -5.815 15.612 6.398 250 HA PRO 34 HA PRO 34 -10.526 11.961 4.742 251 1HB PRO 34 1HB PRO 34 -9.566 9.422 4.749 252 2HB PRO 34 2HB PRO 34 -9.609 10.428 3.297 253 1HG PRO 34 1HG PRO 34 -7.320 9.862 5.141 254 2HG PRO 34 2HG PRO 34 -7.342 9.918 3.368 255 1HD PRO 34 1HD PRO 34 -6.430 11.972 4.880 256 2HD PRO 34 2HD PRO 34 -7.230 12.220 3.314 257 H GLY 35 H GLY 35 -7.915 10.618 6.783 258 1HA GLY 35 1HA GLY 35 -8.902 11.108 9.260 259 2HA GLY 35 2HA GLY 35 -9.811 9.692 8.752 260 H ASN 36 H ASN 36 -7.667 10.216 10.844 261 HA ASN 36 HA ASN 36 -5.261 9.026 10.266 262 1HB ASN 36 1HB ASN 36 -6.928 9.152 12.751 263 2HB ASN 36 2HB ASN 36 -5.469 8.166 12.744 264 1HD2 ASN 36 1HD2 ASN 36 -3.765 9.164 13.506 265 2HD2 ASN 36 2HD2 ASN 36 -3.434 10.856 13.395 266 H GLU 37 H GLU 37 -8.353 7.578 10.296 267 HA GLU 37 HA GLU 37 -7.666 4.916 10.927 268 1HB GLU 37 1HB GLU 37 -9.803 4.313 10.115 269 2HB GLU 37 2HB GLU 37 -9.994 5.922 10.797 270 1HG GLU 37 1HG GLU 37 -9.770 6.850 8.500 271 2HG GLU 37 2HG GLU 37 -9.776 5.197 7.887 272 H VAL 38 H VAL 38 -8.030 6.555 7.789 273 HA VAL 38 HA VAL 38 -7.063 4.260 6.339 274 HB VAL 38 HB VAL 38 -8.699 5.640 5.246 275 1HG1 VAL 38 1HG1 VAL 38 -8.164 7.982 4.600 276 2HG1 VAL 38 2HG1 VAL 38 -8.332 7.745 6.340 277 3HG1 VAL 38 3HG1 VAL 38 -6.728 7.890 5.619 278 1HG2 VAL 38 1HG2 VAL 38 -6.810 4.600 3.922 279 2HG2 VAL 38 2HG2 VAL 38 -7.674 5.920 3.134 280 3HG2 VAL 38 3HG2 VAL 38 -6.092 6.209 3.857 281 H LYS 39 H LYS 39 -5.819 7.453 7.229 282 HA LYS 39 HA LYS 39 -3.472 7.562 5.833 283 1HB LYS 39 1HB LYS 39 -4.017 8.390 8.685 284 2HB LYS 39 2HB LYS 39 -2.541 8.806 7.824 285 1HG LYS 39 1HG LYS 39 -3.583 10.323 6.481 286 2HG LYS 39 2HG LYS 39 -5.134 9.483 6.546 287 1HD LYS 39 1HD LYS 39 -5.738 10.468 8.528 288 2HD LYS 39 2HD LYS 39 -4.067 10.695 9.049 289 1HE LYS 39 1HE LYS 39 -5.286 12.214 6.755 290 2HE LYS 39 2HE LYS 39 -5.347 12.789 8.420 291 1HZ LYS 39 1HZ LYS 39 -3.047 12.554 6.619 292 2HZ LYS 39 2HZ LYS 39 -2.786 12.366 8.279 293 3HZ LYS 39 3HZ LYS 39 -3.456 13.801 7.686 294 H LEU 40 H LEU 40 -4.323 5.325 8.293 295 HA LEU 40 HA LEU 40 -1.565 4.533 8.788 296 1HB LEU 40 1HB LEU 40 -4.202 3.613 9.904 297 2HB LEU 40 2HB LEU 40 -2.673 2.826 10.290 298 HG LEU 40 HG LEU 40 -3.177 5.743 10.832 299 1HD1 LEU 40 1HD1 LEU 40 -4.767 4.924 12.236 300 2HD1 LEU 40 2HD1 LEU 40 -3.351 4.701 13.262 301 3HD1 LEU 40 3HD1 LEU 40 -4.007 3.337 12.357 302 1HD2 LEU 40 1HD2 LEU 40 -0.892 4.116 10.939 303 2HD2 LEU 40 2HD2 LEU 40 -1.388 4.379 12.611 304 3HD2 LEU 40 3HD2 LEU 40 -1.079 5.758 11.555 305 H LYS 41 H LYS 41 -4.535 3.193 7.393 306 HA LYS 41 HA LYS 41 -3.530 0.659 6.739 307 1HB LYS 41 1HB LYS 41 -5.503 0.326 5.605 308 2HB LYS 41 2HB LYS 41 -5.963 1.666 6.647 309 1HG LYS 41 1HG LYS 41 -5.648 3.234 4.841 310 2HG LYS 41 2HG LYS 41 -5.051 1.947 3.790 311 1HD LYS 41 1HD LYS 41 -7.514 2.702 3.567 312 2HD LYS 41 2HD LYS 41 -7.151 0.974 3.580 313 1HE LYS 41 1HE LYS 41 -7.786 2.403 6.131 314 2HE LYS 41 2HE LYS 41 -9.085 1.897 5.052 315 1HZ LYS 41 1HZ LYS 41 -7.363 0.302 6.745 316 2HZ LYS 41 2HZ LYS 41 -7.621 -0.334 5.199 317 3HZ LYS 41 3HZ LYS 41 -8.938 -0.003 6.208 318 H LEU 42 H LEU 42 -3.165 3.755 5.197 319 HA LEU 42 HA LEU 42 -2.206 2.687 2.704 320 1HB LEU 42 1HB LEU 42 -2.582 5.378 3.889 321 2HB LEU 42 2HB LEU 42 -1.394 5.222 2.596 322 HG LEU 42 HG LEU 42 -3.481 5.954 1.663 323 1HD1 LEU 42 1HD1 LEU 42 -3.623 3.133 0.837 324 2HD1 LEU 42 2HD1 LEU 42 -2.034 3.888 0.715 325 3HD1 LEU 42 3HD1 LEU 42 -3.413 4.594 -0.128 326 1HD2 LEU 42 1HD2 LEU 42 -5.538 5.081 2.110 327 2HD2 LEU 42 2HD2 LEU 42 -4.743 4.742 3.648 328 3HD2 LEU 42 3HD2 LEU 42 -4.908 3.467 2.439 329 H TYR 43 H TYR 43 -0.846 3.563 5.758 330 HA TYR 43 HA TYR 43 1.869 3.670 4.726 331 1HB TYR 43 1HB TYR 43 1.779 5.182 6.435 332 2HB TYR 43 2HB TYR 43 0.541 4.286 7.308 333 HD1 TYR 43 1HD TYR 43 4.123 4.761 6.811 334 HD2 TYR 43 2HD TYR 43 1.162 2.455 8.815 335 HE1 TYR 43 1HE TYR 43 5.842 3.900 8.345 336 HE2 TYR 43 2HE TYR 43 2.872 1.588 10.356 337 HH TYR 43 HH TYR 43 5.359 1.250 10.343 338 H ALA 44 H ALA 44 -0.211 1.519 6.564 339 HA ALA 44 HA ALA 44 1.668 -0.298 7.514 340 1HB ALA 44 1HB ALA 44 -1.226 -0.404 6.895 341 2HB ALA 44 2HB ALA 44 -0.385 -1.941 7.099 342 3HB ALA 44 3HB ALA 44 -0.372 -0.750 8.399 343 H LEU 45 H LEU 45 -0.002 -0.207 4.386 344 HA LEU 45 HA LEU 45 1.234 -2.597 3.419 345 1HB LEU 45 1HB LEU 45 -0.373 -0.408 2.149 346 2HB LEU 45 2HB LEU 45 0.376 -1.674 1.178 347 HG LEU 45 HG LEU 45 -1.800 -2.425 1.450 348 1HD1 LEU 45 1HD1 LEU 45 -0.665 -3.729 3.882 349 2HD1 LEU 45 2HD1 LEU 45 0.102 -3.981 2.315 350 3HD1 LEU 45 3HD1 LEU 45 -1.586 -4.433 2.553 351 1HD2 LEU 45 1HD2 LEU 45 -2.889 -2.452 3.750 352 2HD2 LEU 45 2HD2 LEU 45 -2.716 -0.882 2.965 353 3HD2 LEU 45 3HD2 LEU 45 -1.603 -1.353 4.250 354 H TYR 46 H TYR 46 1.760 0.870 2.883 355 HA TYR 46 HA TYR 46 3.678 0.850 0.942 356 1HB TYR 46 1HB TYR 46 2.935 2.955 1.724 357 2HB TYR 46 2HB TYR 46 3.396 2.592 3.384 358 HD1 TYR 46 1HD TYR 46 4.917 3.007 -0.002 359 HD2 TYR 46 2HD TYR 46 5.384 3.451 4.204 360 HE1 TYR 46 1HE TYR 46 7.079 4.122 -0.365 361 HE2 TYR 46 2HE TYR 46 7.546 4.569 3.852 362 HH TYR 46 HH TYR 46 9.348 4.377 1.471 363 H LYS 47 H LYS 47 4.374 0.742 4.440 364 HA LYS 47 HA LYS 47 7.128 0.200 4.122 365 1HB LYS 47 1HB LYS 47 5.294 -0.311 6.470 366 2HB LYS 47 2HB LYS 47 7.048 -0.426 6.529 367 1HG LYS 47 1HG LYS 47 5.622 2.090 5.722 368 2HG LYS 47 2HG LYS 47 6.023 1.712 7.399 369 1HD LYS 47 1HD LYS 47 8.184 1.517 5.366 370 2HD LYS 47 2HD LYS 47 7.649 3.126 5.856 371 1HE LYS 47 1HE LYS 47 8.112 2.609 8.175 372 2HE LYS 47 2HE LYS 47 8.538 0.952 7.749 373 1HZ LYS 47 1HZ LYS 47 10.578 1.569 7.152 374 2HZ LYS 47 2HZ LYS 47 10.272 3.028 7.951 375 3HZ LYS 47 3HZ LYS 47 10.033 2.913 6.281 376 H GLN 48 H GLN 48 4.409 -1.753 3.680 377 HA GLN 48 HA GLN 48 5.760 -4.245 4.322 378 1HB GLN 48 1HB GLN 48 3.262 -3.749 4.693 379 2HB GLN 48 2HB GLN 48 3.090 -3.994 2.960 380 1HG GLN 48 1HG GLN 48 2.630 -6.093 3.675 381 2HG GLN 48 2HG GLN 48 4.379 -6.230 3.505 382 1HE2 GLN 48 1HE2 GLN 48 4.146 -8.001 5.013 383 2HE2 GLN 48 2HE2 GLN 48 4.084 -7.670 6.708 384 H ALA 49 H ALA 49 4.895 -2.325 1.535 385 HA ALA 49 HA ALA 49 5.869 -4.413 -0.276 386 1HB ALA 49 1HB ALA 49 5.072 -2.277 -1.838 387 2HB ALA 49 2HB ALA 49 4.122 -3.718 -1.472 388 3HB ALA 49 3HB ALA 49 3.933 -2.264 -0.492 389 H THR 50 H THR 50 7.372 -2.342 1.532 390 HA THR 50 HA THR 50 9.353 -1.663 -0.529 391 HB THR 50 HB THR 50 9.801 0.491 0.655 392 HG1 THR 50 1HG THR 50 7.564 -0.396 2.131 393 1HG2 THR 50 1HG2 THR 50 8.462 0.451 -1.391 394 2HG2 THR 50 2HG2 THR 50 7.876 1.690 -0.281 395 3HG2 THR 50 3HG2 THR 50 7.005 0.165 -0.440 396 H GLU 51 H GLU 51 8.661 -2.093 2.914 397 HA GLU 51 HA GLU 51 11.511 -2.667 3.367 398 1HB GLU 51 1HB GLU 51 9.435 -2.151 5.493 399 2HB GLU 51 2HB GLU 51 11.185 -2.135 5.667 400 1HG GLU 51 1HG GLU 51 9.784 -0.201 3.862 401 2HG GLU 51 2HG GLU 51 9.944 0.102 5.591 402 H GLY 52 H GLY 52 8.239 -3.892 3.852 403 1HA GLY 52 1HA GLY 52 7.990 -6.326 3.497 404 2HA GLY 52 2HA GLY 52 9.421 -6.523 4.497 405 HA PRO 53 HA PRO 53 5.842 -7.233 7.277 406 1HB PRO 53 1HB PRO 53 7.086 -9.159 8.731 407 2HB PRO 53 2HB PRO 53 6.243 -9.495 7.214 408 1HG PRO 53 1HG PRO 53 9.171 -9.121 7.713 409 2HG PRO 53 2HG PRO 53 8.354 -10.324 6.698 410 1HD PRO 53 1HD PRO 53 9.513 -8.101 5.675 411 2HD PRO 53 2HD PRO 53 8.072 -8.845 4.953 412 H CYS 54 H CYS 54 5.526 -6.385 9.284 413 HA CYS 54 HA CYS 54 7.095 -4.440 10.338 414 1HB CYS 54 1HB CYS 54 4.937 -4.613 11.237 415 2HB CYS 54 2HB CYS 54 5.145 -6.310 11.652 416 HG CYS 54 HG CYS 54 6.695 -5.904 13.862 417 H ASN 55 H ASN 55 9.223 -4.614 10.694 418 HA ASN 55 HA ASN 55 10.152 -6.830 12.401 419 1HB ASN 55 1HB ASN 55 12.315 -6.693 11.284 420 2HB ASN 55 2HB ASN 55 11.040 -6.954 10.098 421 1HD2 ASN 55 1HD2 ASN 55 10.759 -5.515 8.501 422 2HD2 ASN 55 2HD2 ASN 55 11.673 -4.059 8.321 423 H MET 56 H MET 56 9.281 -3.819 12.717 424 HA MET 56 HA MET 56 11.654 -2.787 14.062 425 1HB MET 56 1HB MET 56 10.126 -0.775 14.442 426 2HB MET 56 2HB MET 56 10.586 -1.126 12.782 427 1HG MET 56 1HG MET 56 8.460 -2.063 12.302 428 2HG MET 56 2HG MET 56 8.001 -2.044 14.003 429 1HE MET 56 1HE MET 56 7.506 1.521 14.914 430 2HE MET 56 2HE MET 56 8.528 0.136 15.297 431 3HE MET 56 3HE MET 56 9.193 1.502 14.401 432 HA PRO 57 HA PRO 57 10.422 -3.904 18.126 433 1HB PRO 57 1HB PRO 57 11.424 -1.828 19.558 434 2HB PRO 57 2HB PRO 57 12.444 -3.076 18.833 435 1HG PRO 57 1HG PRO 57 11.817 -0.326 17.831 436 2HG PRO 57 2HG PRO 57 13.371 -1.179 17.858 437 1HD PRO 57 1HD PRO 57 11.852 -0.989 15.625 438 2HD PRO 57 2HD PRO 57 12.878 -2.398 15.965 439 H LYS 58 H LYS 58 8.656 -3.707 19.382 440 HA LYS 58 HA LYS 58 6.554 -2.006 18.736 441 1HB LYS 58 1HB LYS 58 6.514 -4.175 20.098 442 2HB LYS 58 2HB LYS 58 6.947 -3.181 21.483 443 1HG LYS 58 1HG LYS 58 4.915 -2.050 21.464 444 2HG LYS 58 2HG LYS 58 4.563 -2.517 19.798 445 1HD LYS 58 1HD LYS 58 3.965 -4.685 20.403 446 2HD LYS 58 2HD LYS 58 4.817 -4.591 21.946 447 1HE LYS 58 1HE LYS 58 2.564 -2.711 21.469 448 2HE LYS 58 2HE LYS 58 2.179 -4.402 21.784 449 1HZ LYS 58 1HZ LYS 58 2.281 -2.909 23.781 450 2HZ LYS 58 2HZ LYS 58 3.953 -2.809 23.543 451 3HZ LYS 58 3HZ LYS 58 3.234 -4.305 23.873 452 HA PRO 59 HA PRO 59 8.004 1.803 20.524 453 1HB PRO 59 1HB PRO 59 5.774 3.247 19.962 454 2HB PRO 59 2HB PRO 59 6.990 2.842 18.744 455 1HG PRO 59 1HG PRO 59 4.360 1.527 19.305 456 2HG PRO 59 2HG PRO 59 5.096 1.934 17.744 457 1HD PRO 59 1HD PRO 59 5.157 -0.569 18.774 458 2HD PRO 59 2HD PRO 59 6.464 0.079 17.763 459 H GLY 60 H GLY 60 7.358 3.266 22.239 460 1HA GLY 60 1HA GLY 60 5.898 1.863 24.325 461 2HA GLY 60 2HA GLY 60 6.835 3.337 24.516 462 H VAL 61 H VAL 61 4.202 2.790 25.554 463 HA VAL 61 HA VAL 61 2.045 3.753 24.202 464 HB VAL 61 HB VAL 61 1.300 4.759 26.433 465 1HG1 VAL 61 1HG1 VAL 61 0.504 2.619 25.870 466 2HG1 VAL 61 2HG1 VAL 61 2.090 1.879 26.097 467 3HG1 VAL 61 3HG1 VAL 61 1.174 2.449 27.492 468 1HG2 VAL 61 1HG2 VAL 61 4.089 4.099 27.015 469 2HG2 VAL 61 2HG2 VAL 61 2.993 5.212 27.833 470 3HG2 VAL 61 3HG2 VAL 61 2.943 3.490 28.210 471 H PHE 62 H PHE 62 4.205 5.803 26.172 472 HA PHE 62 HA PHE 62 3.180 8.266 25.649 473 1HB PHE 62 1HB PHE 62 6.019 7.347 25.999 474 2HB PHE 62 2HB PHE 62 5.660 9.045 25.706 475 HD1 PHE 62 1HD PHE 62 4.894 6.220 27.983 476 HD2 PHE 62 2HD PHE 62 5.020 10.441 27.455 477 HE1 PHE 62 1HE PHE 62 4.433 6.530 30.380 478 HE2 PHE 62 2HE PHE 62 4.561 10.758 29.851 479 HZ PHE 62 HZ PHE 62 4.268 8.801 31.317 480 H ASP 63 H ASP 63 4.827 6.185 23.430 481 HA ASP 63 HA ASP 63 5.143 8.307 21.452 482 1HB ASP 63 1HB ASP 63 6.109 5.490 21.705 483 2HB ASP 63 2HB ASP 63 5.998 6.204 20.098 484 H LEU 64 H LEU 64 2.509 7.923 22.063 485 HA LEU 64 HA LEU 64 0.937 6.115 20.840 486 1HB LEU 64 1HB LEU 64 0.414 9.057 20.511 487 2HB LEU 64 2HB LEU 64 -0.764 7.753 20.647 488 HG LEU 64 HG LEU 64 1.014 8.793 22.852 489 1HD1 LEU 64 1HD1 LEU 64 -0.640 10.160 23.427 490 2HD1 LEU 64 2HD1 LEU 64 -1.845 8.881 23.273 491 3HD1 LEU 64 3HD1 LEU 64 -1.365 9.815 21.856 492 1HD2 LEU 64 1HD2 LEU 64 0.199 7.165 24.256 493 2HD2 LEU 64 2HD2 LEU 64 0.346 6.267 22.745 494 3HD2 LEU 64 3HD2 LEU 64 -1.229 6.870 23.263 495 H ILE 65 H ILE 65 2.226 8.993 19.175 496 HA ILE 65 HA ILE 65 1.270 8.719 16.673 497 HB ILE 65 HB ILE 65 3.994 9.521 17.617 498 1HG1 ILE 65 1HG1 ILE 65 2.205 11.204 15.931 499 2HG1 ILE 65 2HG1 ILE 65 1.695 10.873 17.583 500 1HG2 ILE 65 1HG2 ILE 65 3.247 8.766 14.874 501 2HG2 ILE 65 2HG2 ILE 65 4.065 10.319 15.038 502 3HG2 ILE 65 3HG2 ILE 65 4.834 8.850 15.638 503 1HD1 ILE 65 1HD1 ILE 65 4.398 11.622 17.715 504 2HD1 ILE 65 2HD1 ILE 65 3.600 12.763 16.631 505 3HD1 ILE 65 3HD1 ILE 65 2.987 12.524 18.267 506 H ASN 66 H ASN 66 4.236 7.072 17.785 507 HA ASN 66 HA ASN 66 4.520 5.504 15.447 508 1HB ASN 66 1HB ASN 66 5.658 5.249 18.231 509 2HB ASN 66 2HB ASN 66 6.059 4.119 16.941 510 1HD2 ASN 66 1HD2 ASN 66 5.963 7.590 17.635 511 2HD2 ASN 66 2HD2 ASN 66 7.389 7.983 16.744 512 H LYS 67 H LYS 67 3.267 4.726 18.685 513 HA LYS 67 HA LYS 67 2.672 2.071 18.384 514 1HB LYS 67 1HB LYS 67 2.274 3.734 20.374 515 2HB LYS 67 2HB LYS 67 0.657 3.858 19.695 516 1HG LYS 67 1HG LYS 67 0.720 2.207 21.465 517 2HG LYS 67 2HG LYS 67 0.379 1.439 19.913 518 1HD LYS 67 1HD LYS 67 2.564 0.563 19.753 519 2HD LYS 67 2HD LYS 67 3.160 1.606 21.046 520 1HE LYS 67 1HE LYS 67 2.851 -0.740 21.760 521 2HE LYS 67 2HE LYS 67 1.864 0.395 22.679 522 1HZ LYS 67 1HZ LYS 67 0.294 -1.144 22.210 523 2HZ LYS 67 2HZ LYS 67 1.048 -1.672 20.791 524 3HZ LYS 67 3HZ LYS 67 0.147 -0.241 20.787 525 H ALA 68 H ALA 68 0.894 4.833 17.130 526 HA ALA 68 HA ALA 68 -1.431 3.477 16.313 527 1HB ALA 68 1HB ALA 68 -1.966 5.406 15.067 528 2HB ALA 68 2HB ALA 68 -1.078 5.979 16.480 529 3HB ALA 68 3HB ALA 68 -0.271 5.872 14.915 530 H LYS 69 H LYS 69 1.629 4.117 14.653 531 HA LYS 69 HA LYS 69 0.792 2.913 12.193 532 1HB LYS 69 1HB LYS 69 3.316 4.053 13.280 533 2HB LYS 69 2HB LYS 69 3.455 2.920 11.942 534 1HG LYS 69 1HG LYS 69 3.336 4.932 10.844 535 2HG LYS 69 2HG LYS 69 1.647 4.421 10.831 536 1HD LYS 69 1HD LYS 69 1.250 5.807 12.839 537 2HD LYS 69 2HD LYS 69 2.923 6.364 12.757 538 1HE LYS 69 1HE LYS 69 2.549 7.487 10.714 539 2HE LYS 69 2HE LYS 69 1.007 6.672 10.460 540 1HZ LYS 69 1HZ LYS 69 1.596 9.044 11.968 541 2HZ LYS 69 2HZ LYS 69 0.661 7.932 12.833 542 3HZ LYS 69 3HZ LYS 69 0.122 8.504 11.336 543 H TRP 70 H TRP 70 2.975 1.916 14.821 544 HA TRP 70 HA TRP 70 3.874 -0.486 13.941 545 1HB TRP 70 1HB TRP 70 4.193 0.678 16.236 546 2HB TRP 70 2HB TRP 70 2.795 -0.267 16.738 547 HD1 TRP 70 HD TRP 70 6.413 -0.748 15.499 548 HE1 TRP 70 1HE TRP 70 7.237 -3.053 16.294 549 HE3 TRP 70 3HE TRP 70 2.059 -2.516 17.511 550 HZ2 TRP 70 2HZ TRP 70 6.180 -5.321 17.600 551 HZ3 TRP 70 3HZ TRP 70 2.050 -4.763 18.513 552 HH2 TRP 70 HH TRP 70 4.068 -6.135 18.555 553 H ASP 71 H ASP 71 0.747 0.041 15.558 554 HA ASP 71 HA ASP 71 -0.138 -2.624 15.391 555 1HB ASP 71 1HB ASP 71 -1.490 0.016 15.800 556 2HB ASP 71 2HB ASP 71 -2.469 -1.420 15.518 557 H ALA 72 H ALA 72 -0.116 -0.021 13.090 558 HA ALA 72 HA ALA 72 -2.021 -1.209 11.299 559 1HB ALA 72 1HB ALA 72 -1.208 0.549 9.715 560 2HB ALA 72 2HB ALA 72 -1.809 1.165 11.255 561 3HB ALA 72 3HB ALA 72 -0.073 1.063 10.964 562 H TRP 73 H TRP 73 1.500 -0.658 11.096 563 HA TRP 73 HA TRP 73 1.835 -2.275 8.791 564 1HB TRP 73 1HB TRP 73 3.418 -0.487 9.465 565 2HB TRP 73 2HB TRP 73 3.908 -1.469 10.843 566 HD1 TRP 73 HD TRP 73 3.363 -3.465 7.720 567 HE1 TRP 73 1HE TRP 73 5.633 -4.152 6.718 568 HE3 TRP 73 3HE TRP 73 6.429 -0.518 10.557 569 HZ2 TRP 73 2HZ TRP 73 8.361 -3.528 7.083 570 HZ3 TRP 73 3HZ TRP 73 8.856 -0.622 10.168 571 HH2 TRP 73 HH TRP 73 9.801 -2.097 8.467 572 H ASN 74 H ASN 74 1.829 -2.932 12.212 573 HA ASN 74 HA ASN 74 3.111 -5.465 12.096 574 1HB ASN 74 1HB ASN 74 3.009 -4.285 14.198 575 2HB ASN 74 2HB ASN 74 1.249 -4.253 14.147 576 1HD2 ASN 74 1HD2 ASN 74 1.155 -5.272 16.162 577 2HD2 ASN 74 2HD2 ASN 74 1.469 -6.962 16.338 578 H ALA 75 H ALA 75 -0.296 -4.470 12.152 579 HA ALA 75 HA ALA 75 -1.608 -6.842 12.315 580 1HB ALA 75 1HB ALA 75 -3.298 -5.451 11.963 581 2HB ALA 75 2HB ALA 75 -2.204 -4.239 11.295 582 3HB ALA 75 3HB ALA 75 -2.916 -5.461 10.241 583 H LEU 76 H LEU 76 0.026 -5.544 9.466 584 HA LEU 76 HA LEU 76 -0.836 -7.341 7.544 585 1HB LEU 76 1HB LEU 76 1.717 -5.831 7.931 586 2HB LEU 76 2HB LEU 76 1.550 -6.963 6.591 587 HG LEU 76 HG LEU 76 1.119 -4.517 6.085 588 1HD1 LEU 76 1HD1 LEU 76 -0.503 -6.855 5.361 589 2HD1 LEU 76 2HD1 LEU 76 0.350 -5.699 4.339 590 3HD1 LEU 76 3HD1 LEU 76 -1.235 -5.292 4.997 591 1HD2 LEU 76 1HD2 LEU 76 -0.140 -3.911 8.046 592 2HD2 LEU 76 2HD2 LEU 76 -1.371 -5.120 7.677 593 3HD2 LEU 76 3HD2 LEU 76 -1.164 -3.720 6.622 594 H GLY 77 H GLY 77 1.925 -7.640 9.767 595 1HA GLY 77 1HA GLY 77 2.893 -9.543 10.646 596 2HA GLY 77 2HA GLY 77 1.641 -10.491 9.858 597 H SER 78 H SER 78 2.405 -11.894 8.440 598 HA SER 78 HA SER 78 5.022 -11.422 7.230 599 1HB SER 78 1HB SER 78 4.254 -13.630 8.391 600 2HB SER 78 2HB SER 78 3.425 -13.940 6.867 601 HG SER 78 HG SER 78 6.200 -13.480 7.241 602 H LEU 79 H LEU 79 2.705 -9.924 6.337 603 HA LEU 79 HA LEU 79 1.682 -10.973 3.918 604 1HB LEU 79 1HB LEU 79 0.717 -9.095 5.290 605 2HB LEU 79 2HB LEU 79 1.981 -8.062 4.627 606 HG LEU 79 HG LEU 79 -0.026 -7.642 3.413 607 1HD1 LEU 79 1HD1 LEU 79 0.703 -7.985 1.207 608 2HD1 LEU 79 2HD1 LEU 79 1.559 -9.467 1.630 609 3HD1 LEU 79 3HD1 LEU 79 2.177 -7.907 2.172 610 1HD2 LEU 79 1HD2 LEU 79 -0.171 -10.597 2.829 611 2HD2 LEU 79 2HD2 LEU 79 -1.305 -9.356 2.296 612 3HD2 LEU 79 3HD2 LEU 79 -1.170 -9.752 4.010 613 HA PRO 80 HA PRO 80 5.407 -10.459 1.512 614 1HB PRO 80 1HB PRO 80 4.364 -11.442 -0.794 615 2HB PRO 80 2HB PRO 80 4.881 -12.475 0.544 616 1HG PRO 80 1HG PRO 80 2.127 -11.556 -0.185 617 2HG PRO 80 2HG PRO 80 2.669 -13.163 0.331 618 1HD PRO 80 1HD PRO 80 1.456 -11.425 2.015 619 2HD PRO 80 2HD PRO 80 2.690 -12.578 2.561 620 H LYS 81 H LYS 81 6.147 -8.909 0.137 621 HA LYS 81 HA LYS 81 4.850 -6.531 -0.231 622 1HB LYS 81 1HB LYS 81 6.867 -7.714 -2.149 623 2HB LYS 81 2HB LYS 81 6.498 -6.006 -1.945 624 1HG LYS 81 1HG LYS 81 7.396 -6.040 0.297 625 2HG LYS 81 2HG LYS 81 7.678 -7.779 0.185 626 1HD LYS 81 1HD LYS 81 9.343 -7.480 -1.492 627 2HD LYS 81 2HD LYS 81 8.928 -5.775 -1.686 628 1HE LYS 81 1HE LYS 81 9.760 -5.270 0.513 629 2HE LYS 81 2HE LYS 81 10.021 -6.980 0.852 630 1HZ LYS 81 1HZ LYS 81 12.071 -5.799 0.252 631 2HZ LYS 81 2HZ LYS 81 11.422 -5.447 -1.270 632 3HZ LYS 81 3HZ LYS 81 11.718 -7.053 -0.829 633 H GLU 82 H GLU 82 5.082 -9.163 -2.623 634 HA GLU 82 HA GLU 82 3.783 -8.173 -4.760 635 1HB GLU 82 1HB GLU 82 3.203 -10.883 -3.551 636 2HB GLU 82 2HB GLU 82 2.922 -10.417 -5.223 637 1HG GLU 82 1HG GLU 82 5.380 -10.000 -5.428 638 2HG GLU 82 2HG GLU 82 5.567 -10.714 -3.827 639 H ALA 83 H ALA 83 2.186 -9.396 -1.837 640 HA ALA 83 HA ALA 83 -0.438 -8.705 -2.808 641 1HB ALA 83 1HB ALA 83 -0.616 -9.141 -0.061 642 2HB ALA 83 2HB ALA 83 -0.942 -10.303 -1.348 643 3HB ALA 83 3HB ALA 83 0.661 -10.224 -0.617 644 H ALA 84 H ALA 84 1.914 -7.358 -0.552 645 HA ALA 84 HA ALA 84 0.381 -5.414 0.685 646 1HB ALA 84 1HB ALA 84 2.495 -4.176 1.000 647 2HB ALA 84 2HB ALA 84 2.636 -5.889 1.397 648 3HB ALA 84 3HB ALA 84 3.281 -5.281 -0.128 649 H ARG 85 H ARG 85 2.311 -5.068 -2.294 650 HA ARG 85 HA ARG 85 1.601 -2.427 -2.860 651 1HB ARG 85 1HB ARG 85 2.603 -4.718 -4.500 652 2HB ARG 85 2HB ARG 85 2.058 -3.259 -5.315 653 1HG ARG 85 1HG ARG 85 3.650 -2.038 -3.686 654 2HG ARG 85 2HG ARG 85 4.371 -3.634 -3.464 655 1HD ARG 85 1HD ARG 85 3.894 -2.662 -6.236 656 2HD ARG 85 2HD ARG 85 5.235 -1.970 -5.324 657 HE ARG 85 HE ARG 85 5.171 -4.517 -6.537 658 1HH1 ARG 85 2HH1 ARG 85 6.254 -2.907 -3.647 659 2HH1 ARG 85 1HH1 ARG 85 7.551 -4.018 -3.357 660 1HH2 ARG 85 2HH2 ARG 85 6.875 -5.987 -6.166 661 2HH2 ARG 85 1HH2 ARG 85 7.904 -5.770 -4.791 662 H GLN 86 H GLN 86 -0.016 -5.460 -3.604 663 HA GLN 86 HA GLN 86 -1.944 -4.367 -5.378 664 1HB GLN 86 1HB GLN 86 -1.556 -6.710 -5.490 665 2HB GLN 86 2HB GLN 86 -1.850 -6.913 -3.768 666 1HG GLN 86 1HG GLN 86 -3.778 -7.735 -4.747 667 2HG GLN 86 2HG GLN 86 -4.225 -6.095 -4.282 668 1HE2 GLN 86 1HE2 GLN 86 -4.131 -4.449 -5.959 669 2HE2 GLN 86 2HE2 GLN 86 -4.481 -4.894 -7.591 670 H ASN 87 H ASN 87 -1.920 -5.010 -1.901 671 HA ASN 87 HA ASN 87 -4.624 -4.352 -1.424 672 1HB ASN 87 1HB ASN 87 -2.185 -4.430 0.346 673 2HB ASN 87 2HB ASN 87 -3.768 -3.968 0.964 674 1HD2 ASN 87 1HD2 ASN 87 -1.705 -6.521 0.140 675 2HD2 ASN 87 2HD2 ASN 87 -2.810 -7.821 0.408 676 H TYR 88 H TYR 88 -1.643 -2.438 -1.119 677 HA TYR 88 HA TYR 88 -2.724 -0.078 -0.169 678 1HB TYR 88 1HB TYR 88 -0.310 -0.476 -0.372 679 2HB TYR 88 2HB TYR 88 -0.437 -0.397 -2.126 680 HD1 TYR 88 1HD TYR 88 0.262 1.437 0.800 681 HD2 TYR 88 2HD TYR 88 -1.456 1.831 -3.073 682 HE1 TYR 88 1HE TYR 88 0.630 3.867 0.890 683 HE2 TYR 88 2HE TYR 88 -1.092 4.262 -2.993 684 HH TYR 88 HH TYR 88 0.117 5.845 -0.087 685 H VAL 89 H VAL 89 -2.250 -1.046 -3.561 686 HA VAL 89 HA VAL 89 -3.445 1.281 -4.658 687 HB VAL 89 HB VAL 89 -3.526 0.019 -6.774 688 1HG1 VAL 89 1HG1 VAL 89 -1.175 -0.177 -7.086 689 2HG1 VAL 89 2HG1 VAL 89 -1.439 1.126 -5.925 690 3HG1 VAL 89 3HG1 VAL 89 -0.908 -0.460 -5.366 691 1HG2 VAL 89 1HG2 VAL 89 -2.575 -2.293 -5.086 692 2HG2 VAL 89 2HG2 VAL 89 -4.127 -2.168 -5.913 693 3HG2 VAL 89 3HG2 VAL 89 -2.637 -2.277 -6.848 694 H ASP 90 H ASP 90 -4.665 -1.978 -3.984 695 HA ASP 90 HA ASP 90 -7.185 -1.762 -5.125 696 1HB ASP 90 1HB ASP 90 -6.013 -3.383 -2.921 697 2HB ASP 90 2HB ASP 90 -7.770 -3.337 -3.048 698 H LEU 91 H LEU 91 -5.912 -0.218 -2.332 699 HA LEU 91 HA LEU 91 -8.489 0.381 -1.168 700 1HB LEU 91 1HB LEU 91 -6.476 0.044 0.216 701 2HB LEU 91 2HB LEU 91 -5.761 1.482 -0.509 702 HG LEU 91 HG LEU 91 -6.701 1.798 1.791 703 1HD1 LEU 91 1HD1 LEU 91 -7.263 3.965 1.355 704 2HD1 LEU 91 2HD1 LEU 91 -8.261 3.546 -0.036 705 3HD1 LEU 91 3HD1 LEU 91 -6.503 3.541 -0.180 706 1HD2 LEU 91 1HD2 LEU 91 -9.322 1.424 0.345 707 2HD2 LEU 91 2HD2 LEU 91 -9.137 2.021 1.995 708 3HD2 LEU 91 3HD2 LEU 91 -8.657 0.371 1.595 709 H VAL 92 H VAL 92 -5.833 2.404 -2.433 710 HA VAL 92 HA VAL 92 -7.000 4.846 -2.490 711 HB VAL 92 HB VAL 92 -5.333 3.677 -4.723 712 1HG1 VAL 92 1HG1 VAL 92 -4.989 6.495 -4.271 713 2HG1 VAL 92 2HG1 VAL 92 -5.425 5.644 -5.754 714 3HG1 VAL 92 3HG1 VAL 92 -6.680 6.128 -4.613 715 1HG2 VAL 92 1HG2 VAL 92 -4.691 4.798 -2.048 716 2HG2 VAL 92 2HG2 VAL 92 -3.920 3.486 -2.939 717 3HG2 VAL 92 3HG2 VAL 92 -3.599 5.162 -3.384 718 H SER 93 H SER 93 -7.659 2.177 -4.674 719 HA SER 93 HA SER 93 -9.199 3.644 -6.548 720 1HB SER 93 1HB SER 93 -8.177 1.379 -6.951 721 2HB SER 93 2HB SER 93 -9.432 0.694 -5.918 722 HG SER 93 HG SER 93 -10.971 1.618 -7.391 723 H SER 94 H SER 94 -9.986 1.901 -3.591 724 HA SER 94 HA SER 94 -12.781 1.932 -3.835 725 1HB SER 94 1HB SER 94 -11.370 0.634 -2.150 726 2HB SER 94 2HB SER 94 -11.294 2.126 -1.214 727 HG SER 94 HG SER 94 -13.775 1.115 -2.072 728 H LEU 95 H LEU 95 -10.507 4.376 -2.839 729 HA LEU 95 HA LEU 95 -12.450 6.113 -1.651 730 1HB LEU 95 1HB LEU 95 -9.640 6.621 -2.615 731 2HB LEU 95 2HB LEU 95 -10.622 7.792 -1.738 732 HG LEU 95 HG LEU 95 -9.936 5.110 -0.569 733 1HD1 LEU 95 1HD1 LEU 95 -7.945 6.668 -1.312 734 2HD1 LEU 95 2HD1 LEU 95 -7.930 5.835 0.241 735 3HD1 LEU 95 3HD1 LEU 95 -8.382 7.538 0.159 736 1HD2 LEU 95 1HD2 LEU 95 -10.255 7.530 1.077 737 2HD2 LEU 95 2HD2 LEU 95 -10.848 5.889 1.337 738 3HD2 LEU 95 3HD2 LEU 95 -11.709 6.976 0.246 739 H SER 96 H SER 96 -10.655 6.143 -4.726 740 HA SER 96 HA SER 96 -12.012 8.417 -5.758 741 1HB SER 96 1HB SER 96 -10.841 8.011 -7.785 742 2HB SER 96 2HB SER 96 -9.745 7.508 -6.498 743 HG SER 96 HG SER 96 -10.149 6.048 -8.415 744 HA PRO 97 HA PRO 97 -15.796 6.621 -7.109 745 1HB PRO 97 1HB PRO 97 -16.452 8.409 -9.044 746 2HB PRO 97 2HB PRO 97 -16.567 8.775 -7.318 747 1HG PRO 97 1HG PRO 97 -14.412 9.495 -9.268 748 2HG PRO 97 2HG PRO 97 -15.157 10.492 -8.004 749 1HD PRO 97 1HD PRO 97 -12.748 9.298 -7.687 750 2HD PRO 97 2HD PRO 97 -13.867 9.562 -6.335 751 H SER 98 H SER 98 -13.595 7.698 -9.697 752 HA SER 98 HA SER 98 -14.156 5.185 -11.113 753 1HB SER 98 1HB SER 98 -14.209 6.376 -13.257 754 2HB SER 98 2HB SER 98 -15.472 6.975 -12.183 755 HG SER 98 HG SER 98 -14.446 8.842 -11.983 756 H LEU 99 H LEU 99 -12.396 4.163 -11.862 757 HA LEU 99 HA LEU 99 -9.874 5.659 -12.049 758 1HB LEU 99 1HB LEU 99 -10.304 4.133 -9.936 759 2HB LEU 99 2HB LEU 99 -9.828 2.856 -11.054 760 HG LEU 99 HG LEU 99 -8.082 5.257 -10.638 761 1HD1 LEU 99 1HD1 LEU 99 -6.858 3.877 -8.947 762 2HD1 LEU 99 2HD1 LEU 99 -8.255 2.801 -8.906 763 3HD1 LEU 99 3HD1 LEU 99 -8.425 4.486 -8.413 764 1HD2 LEU 99 1HD2 LEU 99 -7.635 2.412 -11.522 765 2HD2 LEU 99 2HD2 LEU 99 -6.335 3.559 -11.196 766 3HD2 LEU 99 3HD2 LEU 99 -7.488 3.876 -12.493 767 H GLU 100 H GLU 100 -8.918 5.399 -13.952 768 HA GLU 100 HA GLU 100 -9.900 4.014 -16.086 769 1HB GLU 100 1HB GLU 100 -7.155 4.961 -15.383 770 2HB GLU 100 2HB GLU 100 -7.364 3.962 -16.814 771 1HG GLU 100 1HG GLU 100 -7.426 6.248 -17.477 772 2HG GLU 100 2HG GLU 100 -9.051 5.583 -17.635 773 H SER 101 H SER 101 -8.801 2.169 -17.279 774 HA SER 101 HA SER 101 -7.577 0.133 -15.642 775 1HB SER 101 1HB SER 101 -10.392 -0.195 -16.692 776 2HB SER 101 2HB SER 101 -9.380 -1.556 -16.208 777 HG SER 101 HG SER 101 -10.864 0.003 -14.666 778 H SER 102 H SER 102 -6.201 -1.000 -16.848 779 HA SER 102 HA SER 102 -6.373 -0.739 -19.760 780 1HB SER 102 1HB SER 102 -4.145 -1.298 -17.837 781 2HB SER 102 2HB SER 102 -3.989 -1.827 -19.512 782 HG SER 102 HG SER 102 -3.958 0.722 -18.444 783 H SER 103 H SER 103 -8.059 -2.297 -20.010 784 HA SER 103 HA SER 103 -8.105 -4.893 -19.085 785 1HB SER 103 1HB SER 103 -9.121 -3.648 -21.629 786 2HB SER 103 2HB SER 103 -9.333 -5.371 -21.316 787 HG SER 103 HG SER 103 -10.790 -3.356 -20.405 788 H GLN 104 H GLN 104 -7.073 -4.051 -22.393 789 HA GLN 104 HA GLN 104 -5.856 -6.483 -22.967 790 1HB GLN 104 1HB GLN 104 -4.514 -5.085 -24.655 791 2HB GLN 104 2HB GLN 104 -6.266 -5.094 -24.805 792 1HG GLN 104 1HG GLN 104 -4.994 -2.952 -23.187 793 2HG GLN 104 2HG GLN 104 -4.884 -2.866 -24.944 794 1HE2 GLN 104 1HE2 GLN 104 -6.951 -3.054 -26.124 795 2HE2 GLN 104 2HE2 GLN 104 -8.353 -2.323 -25.428 796 H VAL 105 H VAL 105 -4.028 -7.423 -22.338 797 HA VAL 105 HA VAL 105 -2.052 -5.785 -20.891 798 HB VAL 105 HB VAL 105 -3.129 -7.555 -19.539 799 1HG1 VAL 105 1HG1 VAL 105 -3.608 -9.474 -20.567 800 2HG1 VAL 105 2HG1 VAL 105 -2.460 -9.153 -21.869 801 3HG1 VAL 105 3HG1 VAL 105 -1.907 -9.892 -20.366 802 1HG2 VAL 105 1HG2 VAL 105 -1.098 -8.460 -18.595 803 2HG2 VAL 105 2HG2 VAL 105 -0.211 -8.105 -20.078 804 3HG2 VAL 105 3HG2 VAL 105 -0.823 -6.787 -19.079 805 H GLU 106 H GLU 106 0.185 -6.236 -21.196 806 HA GLU 106 HA GLU 106 0.765 -7.288 -23.875 807 1HB GLU 106 1HB GLU 106 2.101 -5.268 -22.112 808 2HB GLU 106 2HB GLU 106 3.033 -6.089 -23.356 809 1HG GLU 106 1HG GLU 106 2.043 -3.848 -23.967 810 2HG GLU 106 2HG GLU 106 1.743 -5.177 -25.084 811 HA PRO 107 HA PRO 107 2.857 -10.794 -22.242 812 1HB PRO 107 1HB PRO 107 4.595 -11.274 -24.271 813 2HB PRO 107 2HB PRO 107 2.864 -11.609 -24.390 814 1HG PRO 107 1HG PRO 107 4.414 -9.263 -25.416 815 2HG PRO 107 2HG PRO 107 3.128 -10.188 -26.212 816 1HD PRO 107 1HD PRO 107 2.681 -7.794 -25.029 817 2HD PRO 107 2HD PRO 107 1.455 -9.077 -25.081 818 H GLY 108 H GLY 108 4.575 -7.902 -23.116 819 1HA GLY 108 1HA GLY 108 6.350 -6.917 -21.986 820 2HA GLY 108 2HA GLY 108 6.493 -8.368 -21.005 821 H THR 109 H THR 109 6.795 -10.260 -23.061 822 HA THR 109 HA THR 109 8.677 -11.299 -23.924 823 HB THR 109 HB THR 109 7.545 -10.465 -25.896 824 HG1 THR 109 1HG THR 109 10.269 -9.814 -26.306 825 1HG2 THR 109 1HG2 THR 109 9.217 -7.964 -25.665 826 2HG2 THR 109 2HG2 THR 109 7.527 -8.066 -25.171 827 3HG2 THR 109 3HG2 THR 109 7.969 -8.314 -26.860 828 H ASP 110 H ASP 110 9.391 -9.584 -21.740 829 HA ASP 110 HA ASP 110 11.869 -8.301 -22.609 830 1HB ASP 110 1HB ASP 110 11.973 -7.394 -20.335 831 2HB ASP 110 2HB ASP 110 10.412 -7.051 -21.077 832 H SER 111 H SER 111 13.897 -8.832 -21.735 833 HA SER 111 HA SER 111 15.509 -10.440 -21.391 834 1HB SER 111 1HB SER 111 15.640 -11.103 -19.094 835 2HB SER 111 2HB SER 111 14.899 -9.503 -19.122 836 HG SER 111 HG SER 111 13.935 -11.669 -18.016 837 H GLY 112 H GLY 112 13.748 -11.509 -23.142 838 1HA GLY 112 1HA GLY 112 12.969 -14.141 -22.121 839 2HA GLY 112 2HA GLY 112 12.504 -13.453 -23.670 840 HA PRO 113 HA PRO 113 15.519 -16.080 -25.507 841 1HB PRO 113 1HB PRO 113 15.729 -14.833 -27.909 842 2HB PRO 113 2HB PRO 113 14.333 -15.818 -27.457 843 1HG PRO 113 1HG PRO 113 14.648 -12.842 -27.403 844 2HG PRO 113 2HG PRO 113 13.268 -13.811 -27.953 845 1HD PRO 113 1HD PRO 113 13.331 -12.614 -25.525 846 2HD PRO 113 2HD PRO 113 12.492 -14.152 -25.810 847 H SER 114 H SER 114 17.697 -16.065 -26.322 848 HA SER 114 HA SER 114 19.185 -13.627 -25.595 849 1HB SER 114 1HB SER 114 20.067 -16.515 -25.375 850 2HB SER 114 2HB SER 114 21.078 -15.117 -25.013 851 HG SER 114 HG SER 114 19.957 -16.153 -23.186 852 H SER 115 H SER 115 20.827 -12.930 -26.930 853 HA SER 115 HA SER 115 21.459 -14.461 -29.327 854 1HB SER 115 1HB SER 115 20.035 -11.815 -29.329 855 2HB SER 115 2HB SER 115 21.092 -12.260 -30.668 856 HG SER 115 HG SER 115 19.563 -13.498 -31.377 857 H GLY 116 H GLY 116 23.513 -14.157 -30.011 858 1HA GLY 116 1HA GLY 116 25.173 -12.107 -30.145 859 2HA GLY 116 2HA GLY 116 25.173 -12.364 -28.407 Start of MODEL 6 1 1H GLY 1 H GLY 1 -33.237 -5.671 -19.977 2 1HA GLY 1 1HA GLY 1 -31.460 -4.608 -17.871 3 2HA GLY 1 2HA GLY 1 -31.931 -6.301 -17.910 4 H SER 2 H SER 2 -29.492 -6.440 -17.875 5 HA SER 2 HA SER 2 -28.477 -6.395 -20.642 6 1HB SER 2 1HB SER 2 -27.385 -4.717 -19.130 7 2HB SER 2 2HB SER 2 -26.812 -6.057 -18.137 8 HG SER 2 HG SER 2 -25.268 -5.345 -19.704 9 H SER 3 H SER 3 -26.982 -8.068 -21.213 10 HA SER 3 HA SER 3 -26.764 -10.345 -19.410 11 1HB SER 3 1HB SER 3 -28.062 -10.558 -22.138 12 2HB SER 3 2HB SER 3 -27.633 -11.923 -21.106 13 HG SER 3 HG SER 3 -29.450 -9.846 -20.433 14 H GLY 4 H GLY 4 -24.829 -11.288 -19.583 15 1HA GLY 4 1HA GLY 4 -22.992 -12.195 -20.782 16 2HA GLY 4 2HA GLY 4 -23.371 -11.122 -22.121 17 H SER 5 H SER 5 -21.444 -11.608 -19.377 18 HA SER 5 HA SER 5 -19.938 -9.219 -19.925 19 1HB SER 5 1HB SER 5 -20.125 -8.237 -17.697 20 2HB SER 5 2HB SER 5 -21.720 -8.344 -18.442 21 HG SER 5 HG SER 5 -22.062 -10.255 -17.214 22 H SER 6 H SER 6 -18.109 -9.028 -18.200 23 HA SER 6 HA SER 6 -16.731 -11.527 -18.207 24 1HB SER 6 1HB SER 6 -14.900 -10.295 -17.155 25 2HB SER 6 2HB SER 6 -15.569 -9.360 -18.493 26 HG SER 6 HG SER 6 -15.204 -8.461 -16.140 27 H GLY 7 H GLY 7 -17.505 -13.078 -16.888 28 1HA GLY 7 1HA GLY 7 -18.245 -12.383 -14.140 29 2HA GLY 7 2HA GLY 7 -18.583 -13.906 -14.949 30 H MET 8 H MET 8 -16.386 -15.012 -15.681 31 HA MET 8 HA MET 8 -14.458 -14.820 -13.472 32 1HB MET 8 1HB MET 8 -14.351 -17.240 -13.289 33 2HB MET 8 2HB MET 8 -16.000 -16.691 -13.017 34 1HG MET 8 1HG MET 8 -15.153 -17.571 -15.739 35 2HG MET 8 2HG MET 8 -15.547 -18.764 -14.505 36 1HE MET 8 1HE MET 8 -19.143 -19.185 -14.800 37 2HE MET 8 2HE MET 8 -17.518 -19.848 -14.621 38 3HE MET 8 3HE MET 8 -18.207 -18.843 -13.345 39 H ASN 9 H ASN 9 -14.127 -13.676 -15.984 40 HA ASN 9 HA ASN 9 -12.725 -15.360 -17.789 41 1HB ASN 9 1HB ASN 9 -13.822 -13.073 -18.246 42 2HB ASN 9 2HB ASN 9 -12.338 -12.379 -17.598 43 1HD2 ASN 9 1HD2 ASN 9 -12.446 -11.493 -19.869 44 2HD2 ASN 9 2HD2 ASN 9 -11.630 -12.402 -21.091 45 H ARG 10 H ARG 10 -11.678 -13.097 -15.268 46 HA ARG 10 HA ARG 10 -9.008 -14.337 -15.391 47 1HB ARG 10 1HB ARG 10 -8.055 -12.169 -14.702 48 2HB ARG 10 2HB ARG 10 -8.873 -12.070 -16.256 49 1HG ARG 10 1HG ARG 10 -10.904 -11.301 -14.794 50 2HG ARG 10 2HG ARG 10 -9.640 -10.900 -13.630 51 1HD ARG 10 1HD ARG 10 -8.644 -9.350 -15.071 52 2HD ARG 10 2HD ARG 10 -9.475 -9.998 -16.485 53 HE ARG 10 HE ARG 10 -11.207 -8.863 -14.471 54 1HH1 ARG 10 2HH1 ARG 10 -9.358 -8.294 -17.365 55 2HH1 ARG 10 1HH1 ARG 10 -10.274 -6.899 -17.833 56 1HH2 ARG 10 2HH2 ARG 10 -12.420 -7.028 -15.076 57 2HH2 ARG 10 1HH2 ARG 10 -12.015 -6.180 -16.529 58 H THR 11 H THR 11 -8.232 -15.134 -13.534 59 HA THR 11 HA THR 11 -9.737 -14.556 -11.066 60 HB THR 11 HB THR 11 -9.999 -16.880 -11.723 61 HG1 THR 11 1HG THR 11 -9.867 -17.254 -9.653 62 1HG2 THR 11 1HG2 THR 11 -8.050 -17.219 -13.087 63 2HG2 THR 11 2HG2 THR 11 -7.998 -18.377 -11.758 64 3HG2 THR 11 3HG2 THR 11 -6.981 -16.937 -11.714 65 H ALA 12 H ALA 12 -7.453 -13.057 -12.126 66 HA ALA 12 HA ALA 12 -5.705 -13.328 -9.787 67 1HB ALA 12 1HB ALA 12 -4.421 -12.686 -12.393 68 2HB ALA 12 2HB ALA 12 -3.746 -13.462 -10.960 69 3HB ALA 12 3HB ALA 12 -4.811 -14.368 -12.034 70 H MET 13 H MET 13 -4.915 -11.418 -8.979 71 HA MET 13 HA MET 13 -5.383 -8.953 -10.472 72 1HB MET 13 1HB MET 13 -7.423 -9.261 -9.164 73 2HB MET 13 2HB MET 13 -6.473 -9.451 -7.696 74 1HG MET 13 1HG MET 13 -5.963 -7.217 -7.571 75 2HG MET 13 2HG MET 13 -6.187 -6.960 -9.300 76 1HE MET 13 1HE MET 13 -9.256 -6.250 -10.186 77 2HE MET 13 2HE MET 13 -8.834 -4.840 -9.216 78 3HE MET 13 3HE MET 13 -7.577 -5.717 -10.089 79 H ARG 14 H ARG 14 -3.430 -8.058 -10.520 80 HA ARG 14 HA ARG 14 -2.010 -7.648 -8.002 81 1HB ARG 14 1HB ARG 14 0.069 -8.489 -8.783 82 2HB ARG 14 2HB ARG 14 -1.125 -9.734 -9.123 83 1HG ARG 14 1HG ARG 14 -0.969 -9.469 -11.378 84 2HG ARG 14 2HG ARG 14 -0.536 -7.762 -11.259 85 1HD ARG 14 1HD ARG 14 1.485 -8.617 -11.877 86 2HD ARG 14 2HD ARG 14 1.633 -8.765 -10.126 87 HE ARG 14 HE ARG 14 0.493 -11.109 -11.235 88 1HH1 ARG 14 2HH1 ARG 14 3.514 -9.412 -10.905 89 2HH1 ARG 14 1HH1 ARG 14 4.481 -10.846 -11.004 90 1HH2 ARG 14 2HH2 ARG 14 1.754 -13.005 -11.366 91 2HH2 ARG 14 1HH2 ARG 14 3.478 -12.889 -11.267 92 H ALA 15 H ALA 15 -0.692 -5.826 -7.967 93 HA ALA 15 HA ALA 15 -1.003 -4.039 -10.289 94 1HB ALA 15 1HB ALA 15 -0.413 -2.307 -8.353 95 2HB ALA 15 2HB ALA 15 -2.062 -2.841 -8.680 96 3HB ALA 15 3HB ALA 15 -1.142 -3.577 -7.368 97 H SER 16 H SER 16 0.758 -3.117 -11.199 98 HA SER 16 HA SER 16 3.359 -4.087 -10.313 99 1HB SER 16 1HB SER 16 4.171 -3.191 -12.474 100 2HB SER 16 2HB SER 16 2.823 -4.308 -12.685 101 HG SER 16 HG SER 16 2.239 -1.592 -12.415 102 H GLN 17 H GLN 17 5.222 -2.550 -10.399 103 HA GLN 17 HA GLN 17 5.169 -0.637 -8.511 104 1HB GLN 17 1HB GLN 17 7.148 -1.488 -9.928 105 2HB GLN 17 2HB GLN 17 6.765 -0.159 -11.015 106 1HG GLN 17 1HG GLN 17 8.566 0.316 -9.359 107 2HG GLN 17 2HG GLN 17 7.222 1.457 -9.345 108 1HE2 GLN 17 1HE2 GLN 17 5.743 1.397 -7.622 109 2HE2 GLN 17 2HE2 GLN 17 6.151 0.669 -6.110 110 H LYS 18 H LYS 18 4.554 -0.032 -11.961 111 HA LYS 18 HA LYS 18 4.136 2.707 -11.843 112 1HB LYS 18 1HB LYS 18 4.293 1.409 -13.937 113 2HB LYS 18 2HB LYS 18 2.711 0.711 -13.613 114 1HG LYS 18 1HG LYS 18 2.326 2.420 -15.163 115 2HG LYS 18 2HG LYS 18 1.827 3.090 -13.609 116 1HD LYS 18 1HD LYS 18 3.076 4.793 -14.653 117 2HD LYS 18 2HD LYS 18 4.165 4.081 -13.460 118 1HE LYS 18 1HE LYS 18 5.491 3.105 -15.053 119 2HE LYS 18 2HE LYS 18 4.179 2.980 -16.224 120 1HZ LYS 18 1HZ LYS 18 4.448 5.638 -15.972 121 2HZ LYS 18 2HZ LYS 18 5.196 4.714 -17.175 122 3HZ LYS 18 3HZ LYS 18 6.051 5.133 -15.777 123 H ASP 19 H ASP 19 1.581 0.213 -11.860 124 HA ASP 19 HA ASP 19 -0.617 1.735 -11.394 125 1HB ASP 19 1HB ASP 19 0.131 -1.009 -10.446 126 2HB ASP 19 2HB ASP 19 -1.391 -0.290 -9.928 127 H PHE 20 H PHE 20 1.606 0.517 -8.904 128 HA PHE 20 HA PHE 20 0.262 1.605 -6.693 129 1HB PHE 20 1HB PHE 20 2.038 -0.127 -6.551 130 2HB PHE 20 2HB PHE 20 3.230 1.097 -6.978 131 HD1 PHE 20 1HD PHE 20 3.764 2.908 -5.411 132 HD2 PHE 20 2HD PHE 20 1.126 -0.261 -4.355 133 HE1 PHE 20 1HE PHE 20 4.008 3.501 -3.036 134 HE2 PHE 20 2HE PHE 20 1.365 0.328 -1.978 135 HZ PHE 20 HZ PHE 20 2.807 2.211 -1.316 136 H GLU 21 H GLU 21 3.202 2.825 -8.309 137 HA GLU 21 HA GLU 21 3.554 5.180 -6.992 138 1HB GLU 21 1HB GLU 21 3.999 4.396 -9.845 139 2HB GLU 21 2HB GLU 21 4.264 6.065 -9.362 140 1HG GLU 21 1HG GLU 21 5.772 5.132 -7.541 141 2HG GLU 21 2HG GLU 21 5.687 3.604 -8.414 142 H ASN 22 H ASN 22 1.050 4.406 -9.286 143 HA ASN 22 HA ASN 22 0.183 7.134 -9.620 144 1HB ASN 22 1HB ASN 22 -0.937 4.469 -10.474 145 2HB ASN 22 2HB ASN 22 -1.823 5.971 -10.723 146 1HD2 ASN 22 1HD2 ASN 22 -0.192 3.864 -12.374 147 2HD2 ASN 22 2HD2 ASN 22 0.666 4.865 -13.491 148 H SER 23 H SER 23 -0.937 4.279 -7.845 149 HA SER 23 HA SER 23 -3.290 5.404 -6.804 150 1HB SER 23 1HB SER 23 -1.514 3.147 -5.894 151 2HB SER 23 2HB SER 23 -2.941 3.621 -4.972 152 HG SER 23 HG SER 23 -2.923 2.860 -7.708 153 H MET 24 H MET 24 -0.029 5.158 -5.405 154 HA MET 24 HA MET 24 -0.581 6.405 -2.966 155 1HB MET 24 1HB MET 24 1.878 6.921 -2.936 156 2HB MET 24 2HB MET 24 1.482 5.232 -3.228 157 1HG MET 24 1HG MET 24 2.203 5.289 -5.393 158 2HG MET 24 2HG MET 24 1.888 7.014 -5.568 159 1HE MET 24 1HE MET 24 4.918 8.649 -5.404 160 2HE MET 24 2HE MET 24 4.920 7.394 -6.644 161 3HE MET 24 3HE MET 24 3.418 8.220 -6.227 162 H ASN 25 H ASN 25 0.199 7.747 -6.121 163 HA ASN 25 HA ASN 25 0.661 10.403 -5.304 164 1HB ASN 25 1HB ASN 25 1.234 9.415 -7.549 165 2HB ASN 25 2HB ASN 25 -0.475 9.521 -7.962 166 1HD2 ASN 25 1HD2 ASN 25 0.465 10.848 -9.714 167 2HD2 ASN 25 2HD2 ASN 25 0.684 12.536 -9.419 168 H GLN 26 H GLN 26 -2.270 8.850 -6.601 169 HA GLN 26 HA GLN 26 -3.992 10.988 -6.590 170 1HB GLN 26 1HB GLN 26 -4.592 8.120 -5.847 171 2HB GLN 26 2HB GLN 26 -5.812 9.330 -6.221 172 1HG GLN 26 1HG GLN 26 -4.855 9.570 -8.472 173 2HG GLN 26 2HG GLN 26 -3.687 8.306 -8.089 174 1HE2 GLN 26 1HE2 GLN 26 -7.173 8.924 -8.152 175 2HE2 GLN 26 2HE2 GLN 26 -7.621 7.338 -8.669 176 H VAL 27 H VAL 27 -3.091 8.917 -3.868 177 HA VAL 27 HA VAL 27 -4.880 10.025 -1.989 178 HB VAL 27 HB VAL 27 -2.196 8.746 -1.450 179 1HG1 VAL 27 1HG1 VAL 27 -4.609 9.039 0.336 180 2HG1 VAL 27 2HG1 VAL 27 -3.078 8.267 0.755 181 3HG1 VAL 27 3HG1 VAL 27 -3.137 10.003 0.448 182 1HG2 VAL 27 1HG2 VAL 27 -4.609 7.646 -2.516 183 2HG2 VAL 27 2HG2 VAL 27 -3.084 6.836 -2.157 184 3HG2 VAL 27 3HG2 VAL 27 -4.323 6.976 -0.910 185 H LYS 28 H LYS 28 -1.890 11.144 -3.290 186 HA LYS 28 HA LYS 28 -1.425 13.037 -1.136 187 1HB LYS 28 1HB LYS 28 0.017 12.574 -3.752 188 2HB LYS 28 2HB LYS 28 0.510 13.751 -2.541 189 1HG LYS 28 1HG LYS 28 0.550 11.713 -0.940 190 2HG LYS 28 2HG LYS 28 0.612 10.769 -2.430 191 1HD LYS 28 1HD LYS 28 2.499 13.054 -1.986 192 2HD LYS 28 2HD LYS 28 2.829 11.465 -1.292 193 1HE LYS 28 1HE LYS 28 2.194 11.821 -4.205 194 2HE LYS 28 2HE LYS 28 3.834 12.005 -3.587 195 1HZ LYS 28 1HZ LYS 28 2.255 9.580 -3.006 196 2HZ LYS 28 2HZ LYS 28 3.934 9.785 -2.968 197 3HZ LYS 28 3HZ LYS 28 3.122 9.726 -4.452 198 H LEU 29 H LEU 29 -3.081 12.908 -4.124 199 HA LEU 29 HA LEU 29 -2.944 15.667 -4.810 200 1HB LEU 29 1HB LEU 29 -4.536 13.316 -5.668 201 2HB LEU 29 2HB LEU 29 -5.193 14.913 -6.023 202 HG LEU 29 HG LEU 29 -3.304 15.465 -7.380 203 1HD1 LEU 29 1HD1 LEU 29 -1.351 14.202 -7.582 204 2HD1 LEU 29 2HD1 LEU 29 -2.083 12.779 -6.841 205 3HD1 LEU 29 3HD1 LEU 29 -1.695 14.187 -5.852 206 1HD2 LEU 29 1HD2 LEU 29 -5.160 13.747 -8.135 207 2HD2 LEU 29 2HD2 LEU 29 -3.778 12.657 -8.239 208 3HD2 LEU 29 3HD2 LEU 29 -3.798 14.149 -9.180 209 H LEU 30 H LEU 30 -5.279 13.692 -3.025 210 HA LEU 30 HA LEU 30 -7.211 15.702 -2.639 211 1HB LEU 30 1HB LEU 30 -8.152 14.279 -0.973 212 2HB LEU 30 2HB LEU 30 -7.571 13.272 -2.297 213 HG LEU 30 HG LEU 30 -5.459 12.995 -0.789 214 1HD1 LEU 30 1HD1 LEU 30 -5.536 13.704 1.318 215 2HD1 LEU 30 2HD1 LEU 30 -7.168 13.077 1.552 216 3HD1 LEU 30 3HD1 LEU 30 -6.930 14.674 0.842 217 1HD2 LEU 30 1HD2 LEU 30 -6.801 11.170 0.499 218 2HD2 LEU 30 2HD2 LEU 30 -6.618 11.057 -1.252 219 3HD2 LEU 30 3HD2 LEU 30 -8.123 11.664 -0.559 220 H LYS 31 H LYS 31 -7.229 17.440 -1.378 221 HA LYS 31 HA LYS 31 -5.061 17.790 0.558 222 1HB LYS 31 1HB LYS 31 -5.828 19.486 -1.331 223 2HB LYS 31 2HB LYS 31 -6.988 19.972 -0.101 224 1HG LYS 31 1HG LYS 31 -5.308 21.405 0.405 225 2HG LYS 31 2HG LYS 31 -4.804 20.037 1.399 226 1HD LYS 31 1HD LYS 31 -3.850 20.195 -1.421 227 2HD LYS 31 2HD LYS 31 -3.108 21.245 -0.212 228 1HE LYS 31 1HE LYS 31 -2.706 19.205 1.182 229 2HE LYS 31 2HE LYS 31 -3.260 18.235 -0.181 230 1HZ LYS 31 1HZ LYS 31 -1.111 18.250 -0.748 231 2HZ LYS 31 2HZ LYS 31 -0.744 19.596 0.209 232 3HZ LYS 31 3HZ LYS 31 -1.414 19.810 -1.329 233 H LYS 32 H LYS 32 -7.902 16.406 0.726 234 HA LYS 32 HA LYS 32 -8.697 17.684 3.257 235 1HB LYS 32 1HB LYS 32 -10.893 16.548 2.902 236 2HB LYS 32 2HB LYS 32 -10.500 17.741 1.670 237 1HG LYS 32 1HG LYS 32 -9.731 15.892 0.204 238 2HG LYS 32 2HG LYS 32 -10.296 14.748 1.423 239 1HD LYS 32 1HD LYS 32 -12.554 15.957 1.216 240 2HD LYS 32 2HD LYS 32 -11.898 16.636 -0.275 241 1HE LYS 32 1HE LYS 32 -13.037 14.736 -0.993 242 2HE LYS 32 2HE LYS 32 -11.359 14.203 -0.902 243 1HZ LYS 32 1HZ LYS 32 -11.986 13.437 1.440 244 2HZ LYS 32 2HZ LYS 32 -12.539 12.516 0.134 245 3HZ LYS 32 3HZ LYS 32 -13.591 13.579 0.925 246 H ASP 33 H ASP 33 -8.066 16.635 5.012 247 HA ASP 33 HA ASP 33 -7.014 14.014 4.989 248 1HB ASP 33 1HB ASP 33 -7.972 15.673 7.332 249 2HB ASP 33 2HB ASP 33 -6.974 14.225 7.445 250 HA PRO 34 HA PRO 34 -10.946 11.889 5.013 251 1HB PRO 34 1HB PRO 34 -9.885 9.392 4.935 252 2HB PRO 34 2HB PRO 34 -10.002 10.431 3.510 253 1HG PRO 34 1HG PRO 34 -7.651 9.913 5.289 254 2HG PRO 34 2HG PRO 34 -7.714 10.012 3.520 255 1HD PRO 34 1HD PRO 34 -6.852 12.063 5.063 256 2HD PRO 34 2HD PRO 34 -7.696 12.317 3.522 257 H GLY 35 H GLY 35 -8.239 10.600 6.961 258 1HA GLY 35 1HA GLY 35 -9.191 10.990 9.471 259 2HA GLY 35 2HA GLY 35 -10.051 9.550 8.947 260 H ASN 36 H ASN 36 -7.820 10.189 10.966 261 HA ASN 36 HA ASN 36 -5.407 9.082 10.308 262 1HB ASN 36 1HB ASN 36 -6.994 9.137 12.842 263 2HB ASN 36 2HB ASN 36 -5.519 8.177 12.786 264 1HD2 ASN 36 1HD2 ASN 36 -3.668 9.167 13.178 265 2HD2 ASN 36 2HD2 ASN 36 -3.425 10.878 13.200 266 H GLU 37 H GLU 37 -8.441 7.501 10.475 267 HA GLU 37 HA GLU 37 -7.619 4.867 11.030 268 1HB GLU 37 1HB GLU 37 -9.952 5.459 11.153 269 2HB GLU 37 2HB GLU 37 -9.972 5.919 9.456 270 1HG GLU 37 1HG GLU 37 -10.946 3.859 9.355 271 2HG GLU 37 2HG GLU 37 -9.257 3.437 9.076 272 H VAL 38 H VAL 38 -8.109 6.557 7.942 273 HA VAL 38 HA VAL 38 -7.150 4.309 6.412 274 HB VAL 38 HB VAL 38 -8.803 5.607 5.325 275 1HG1 VAL 38 1HG1 VAL 38 -8.404 8.052 4.838 276 2HG1 VAL 38 2HG1 VAL 38 -8.739 7.650 6.523 277 3HG1 VAL 38 3HG1 VAL 38 -7.085 7.982 6.006 278 1HG2 VAL 38 1HG2 VAL 38 -7.743 6.233 3.273 279 2HG2 VAL 38 2HG2 VAL 38 -6.194 6.467 4.082 280 3HG2 VAL 38 3HG2 VAL 38 -6.874 4.847 3.932 281 H LYS 39 H LYS 39 -5.919 7.463 7.418 282 HA LYS 39 HA LYS 39 -3.605 7.624 5.930 283 1HB LYS 39 1HB LYS 39 -4.167 8.487 8.766 284 2HB LYS 39 2HB LYS 39 -2.666 8.875 7.936 285 1HG LYS 39 1HG LYS 39 -3.655 10.389 6.554 286 2HG LYS 39 2HG LYS 39 -5.213 9.559 6.577 287 1HD LYS 39 1HD LYS 39 -5.858 10.543 8.559 288 2HD LYS 39 2HD LYS 39 -4.196 10.821 9.084 289 1HE LYS 39 1HE LYS 39 -5.501 12.267 6.784 290 2HE LYS 39 2HE LYS 39 -5.456 12.886 8.435 291 1HZ LYS 39 1HZ LYS 39 -3.546 13.246 6.503 292 2HZ LYS 39 2HZ LYS 39 -2.870 12.095 7.542 293 3HZ LYS 39 3HZ LYS 39 -3.384 13.586 8.153 294 H LEU 40 H LEU 40 -4.401 5.358 8.362 295 HA LEU 40 HA LEU 40 -1.622 4.629 8.860 296 1HB LEU 40 1HB LEU 40 -4.243 3.707 10.002 297 2HB LEU 40 2HB LEU 40 -2.726 2.879 10.346 298 HG LEU 40 HG LEU 40 -3.116 5.801 10.934 299 1HD1 LEU 40 1HD1 LEU 40 -3.913 3.411 12.556 300 2HD1 LEU 40 2HD1 LEU 40 -4.826 4.881 12.217 301 3HD1 LEU 40 3HD1 LEU 40 -3.455 4.931 13.324 302 1HD2 LEU 40 1HD2 LEU 40 -1.025 5.700 11.671 303 2HD2 LEU 40 2HD2 LEU 40 -0.918 4.060 11.033 304 3HD2 LEU 40 3HD2 LEU 40 -1.411 4.325 12.707 305 H LYS 41 H LYS 41 -4.554 3.297 7.403 306 HA LYS 41 HA LYS 41 -3.516 0.758 6.767 307 1HB LYS 41 1HB LYS 41 -5.492 0.392 5.661 308 2HB LYS 41 2HB LYS 41 -5.966 1.751 6.673 309 1HG LYS 41 1HG LYS 41 -5.384 3.244 4.720 310 2HG LYS 41 2HG LYS 41 -5.267 1.772 3.752 311 1HD LYS 41 1HD LYS 41 -7.708 2.502 5.359 312 2HD LYS 41 2HD LYS 41 -7.490 2.963 3.669 313 1HE LYS 41 1HE LYS 41 -7.486 0.714 2.956 314 2HE LYS 41 2HE LYS 41 -7.281 0.112 4.600 315 1HZ LYS 41 1HZ LYS 41 -9.577 -0.075 3.626 316 2HZ LYS 41 2HZ LYS 41 -9.688 1.608 3.743 317 3HZ LYS 41 3HZ LYS 41 -9.484 0.676 5.139 318 H LEU 42 H LEU 42 -3.290 3.862 5.179 319 HA LEU 42 HA LEU 42 -2.302 2.830 2.696 320 1HB LEU 42 1HB LEU 42 -2.688 5.505 3.915 321 2HB LEU 42 2HB LEU 42 -1.507 5.374 2.613 322 HG LEU 42 HG LEU 42 -3.600 6.100 1.697 323 1HD1 LEU 42 1HD1 LEU 42 -2.169 4.311 0.538 324 2HD1 LEU 42 2HD1 LEU 42 -3.810 4.576 -0.050 325 3HD1 LEU 42 3HD1 LEU 42 -3.458 3.192 0.985 326 1HD2 LEU 42 1HD2 LEU 42 -4.852 4.888 3.677 327 2HD2 LEU 42 2HD2 LEU 42 -5.004 3.598 2.484 328 3HD2 LEU 42 3HD2 LEU 42 -5.654 5.201 2.138 329 H TYR 43 H TYR 43 -0.903 3.832 5.723 330 HA TYR 43 HA TYR 43 1.793 3.910 4.668 331 1HB TYR 43 1HB TYR 43 1.717 5.421 6.376 332 2HB TYR 43 2HB TYR 43 0.488 4.524 7.260 333 HD1 TYR 43 1HD TYR 43 4.073 4.969 6.706 334 HD2 TYR 43 2HD TYR 43 1.115 2.738 8.799 335 HE1 TYR 43 1HE TYR 43 5.804 4.116 8.232 336 HE2 TYR 43 2HE TYR 43 2.837 1.881 10.331 337 HH TYR 43 HH TYR 43 5.232 1.537 10.401 338 H ALA 44 H ALA 44 -0.243 1.742 6.536 339 HA ALA 44 HA ALA 44 1.653 -0.054 7.478 340 1HB ALA 44 1HB ALA 44 -1.219 -0.382 6.682 341 2HB ALA 44 2HB ALA 44 -0.266 -1.746 7.269 342 3HB ALA 44 3HB ALA 44 -0.513 -0.335 8.298 343 H LEU 45 H LEU 45 -0.068 -0.062 4.367 344 HA LEU 45 HA LEU 45 1.203 -2.410 3.394 345 1HB LEU 45 1HB LEU 45 -0.395 -0.213 2.137 346 2HB LEU 45 2HB LEU 45 0.395 -1.432 1.139 347 HG LEU 45 HG LEU 45 -1.783 -2.216 1.353 348 1HD1 LEU 45 1HD1 LEU 45 -1.609 -4.247 2.532 349 2HD1 LEU 45 2HD1 LEU 45 -0.464 -3.570 3.689 350 3HD1 LEU 45 3HD1 LEU 45 0.032 -3.852 2.021 351 1HD2 LEU 45 1HD2 LEU 45 -2.833 -2.391 3.698 352 2HD2 LEU 45 2HD2 LEU 45 -2.788 -0.813 2.912 353 3HD2 LEU 45 3HD2 LEU 45 -1.614 -1.207 4.169 354 H TYR 46 H TYR 46 1.734 1.054 2.805 355 HA TYR 46 HA TYR 46 3.694 1.012 0.917 356 1HB TYR 46 1HB TYR 46 2.909 3.117 1.707 357 2HB TYR 46 2HB TYR 46 3.428 2.772 3.353 358 HD1 TYR 46 1HD TYR 46 4.701 3.416 -0.077 359 HD2 TYR 46 2HD TYR 46 5.565 3.405 4.089 360 HE1 TYR 46 1HE TYR 46 6.840 4.545 -0.523 361 HE2 TYR 46 2HE TYR 46 7.706 4.535 3.654 362 HH TYR 46 HH TYR 46 9.108 4.726 0.660 363 H LYS 47 H LYS 47 4.275 0.822 4.430 364 HA LYS 47 HA LYS 47 7.054 0.300 4.162 365 1HB LYS 47 1HB LYS 47 5.197 -0.222 6.491 366 2HB LYS 47 2HB LYS 47 6.954 -0.270 6.564 367 1HG LYS 47 1HG LYS 47 5.431 2.182 5.733 368 2HG LYS 47 2HG LYS 47 5.850 1.833 7.412 369 1HD LYS 47 1HD LYS 47 7.989 1.751 5.333 370 2HD LYS 47 2HD LYS 47 7.417 3.316 5.916 371 1HE LYS 47 1HE LYS 47 8.114 1.218 7.910 372 2HE LYS 47 2HE LYS 47 9.423 2.060 7.081 373 1HZ LYS 47 1HZ LYS 47 9.149 3.510 8.759 374 2HZ LYS 47 2HZ LYS 47 7.552 3.047 9.067 375 3HZ LYS 47 3HZ LYS 47 7.893 4.112 7.798 376 H GLN 48 H GLN 48 4.289 -1.647 3.791 377 HA GLN 48 HA GLN 48 5.657 -4.136 4.404 378 1HB GLN 48 1HB GLN 48 3.196 -3.679 4.890 379 2HB GLN 48 2HB GLN 48 2.930 -3.835 3.158 380 1HG GLN 48 1HG GLN 48 2.462 -5.956 3.846 381 2HG GLN 48 2HG GLN 48 4.180 -6.111 3.482 382 1HE2 GLN 48 1HE2 GLN 48 3.805 -8.000 4.947 383 2HE2 GLN 48 2HE2 GLN 48 4.035 -7.742 6.640 384 H ALA 49 H ALA 49 4.919 -2.152 1.673 385 HA ALA 49 HA ALA 49 5.659 -4.289 -0.193 386 1HB ALA 49 1HB ALA 49 5.055 -1.982 -1.650 387 2HB ALA 49 2HB ALA 49 4.036 -3.404 -1.423 388 3HB ALA 49 3HB ALA 49 3.886 -2.028 -0.330 389 H THR 50 H THR 50 7.253 -2.157 1.616 390 HA THR 50 HA THR 50 9.296 -1.672 -0.454 391 HB THR 50 HB THR 50 9.965 0.360 0.837 392 HG1 THR 50 1HG THR 50 7.559 -0.245 2.236 393 1HG2 THR 50 1HG2 THR 50 7.804 0.018 -0.946 394 2HG2 THR 50 2HG2 THR 50 8.749 1.479 -0.658 395 3HG2 THR 50 3HG2 THR 50 7.280 1.181 0.271 396 H GLU 51 H GLU 51 8.674 -2.205 2.992 397 HA GLU 51 HA GLU 51 11.467 -3.065 3.316 398 1HB GLU 51 1HB GLU 51 9.502 -2.476 5.527 399 2HB GLU 51 2HB GLU 51 11.247 -2.642 5.655 400 1HG GLU 51 1HG GLU 51 11.195 -0.610 3.963 401 2HG GLU 51 2HG GLU 51 9.620 -0.353 4.712 402 H GLY 52 H GLY 52 8.114 -4.008 3.922 403 1HA GLY 52 1HA GLY 52 7.603 -6.378 3.441 404 2HA GLY 52 2HA GLY 52 9.071 -6.776 4.322 405 HA PRO 53 HA PRO 53 5.770 -7.413 7.386 406 1HB PRO 53 1HB PRO 53 7.164 -9.261 8.806 407 2HB PRO 53 2HB PRO 53 6.246 -9.661 7.349 408 1HG PRO 53 1HG PRO 53 9.183 -9.178 7.664 409 2HG PRO 53 2HG PRO 53 8.350 -10.431 6.727 410 1HD PRO 53 1HD PRO 53 9.369 -8.196 5.588 411 2HD PRO 53 2HD PRO 53 7.914 -9.005 4.969 412 H CYS 54 H CYS 54 5.532 -6.417 9.314 413 HA CYS 54 HA CYS 54 7.239 -4.483 10.232 414 1HB CYS 54 1HB CYS 54 5.004 -4.491 11.038 415 2HB CYS 54 2HB CYS 54 5.172 -6.111 11.704 416 HG CYS 54 HG CYS 54 6.811 -5.373 13.804 417 H ASN 55 H ASN 55 9.341 -4.826 10.632 418 HA ASN 55 HA ASN 55 10.046 -6.989 12.505 419 1HB ASN 55 1HB ASN 55 12.195 -7.168 11.432 420 2HB ASN 55 2HB ASN 55 10.953 -7.255 10.186 421 1HD2 ASN 55 1HD2 ASN 55 10.920 -5.772 8.597 422 2HD2 ASN 55 2HD2 ASN 55 12.044 -4.467 8.458 423 H MET 56 H MET 56 9.390 -3.930 12.666 424 HA MET 56 HA MET 56 11.816 -2.952 13.938 425 1HB MET 56 1HB MET 56 10.330 -0.888 14.308 426 2HB MET 56 2HB MET 56 10.789 -1.282 12.656 427 1HG MET 56 1HG MET 56 8.636 -2.242 12.225 428 2HG MET 56 2HG MET 56 8.171 -2.060 13.914 429 1HE MET 56 1HE MET 56 9.391 1.501 14.082 430 2HE MET 56 2HE MET 56 7.693 1.505 14.560 431 3HE MET 56 3HE MET 56 8.740 0.166 15.035 432 HA PRO 57 HA PRO 57 10.681 -3.831 18.085 433 1HB PRO 57 1HB PRO 57 11.666 -1.664 19.392 434 2HB PRO 57 2HB PRO 57 12.699 -2.927 18.711 435 1HG PRO 57 1HG PRO 57 11.995 -0.244 17.585 436 2HG PRO 57 2HG PRO 57 13.567 -1.063 17.624 437 1HD PRO 57 1HD PRO 57 12.003 -1.017 15.414 438 2HD PRO 57 2HD PRO 57 13.065 -2.385 15.804 439 H LYS 58 H LYS 58 8.840 -3.680 19.202 440 HA LYS 58 HA LYS 58 6.792 -1.895 18.551 441 1HB LYS 58 1HB LYS 58 6.600 -4.150 19.714 442 2HB LYS 58 2HB LYS 58 7.044 -3.318 21.199 443 1HG LYS 58 1HG LYS 58 5.069 -2.088 21.246 444 2HG LYS 58 2HG LYS 58 4.733 -2.386 19.539 445 1HD LYS 58 1HD LYS 58 4.314 -4.742 20.026 446 2HD LYS 58 2HD LYS 58 4.675 -4.461 21.731 447 1HE LYS 58 1HE LYS 58 2.792 -2.878 21.843 448 2HE LYS 58 2HE LYS 58 2.421 -3.221 20.154 449 1HZ LYS 58 1HZ LYS 58 0.996 -4.522 21.534 450 2HZ LYS 58 2HZ LYS 58 2.300 -5.128 22.424 451 3HZ LYS 58 3HZ LYS 58 2.104 -5.571 20.803 452 HA PRO 59 HA PRO 59 8.190 1.737 20.700 453 1HB PRO 59 1HB PRO 59 5.977 3.234 20.218 454 2HB PRO 59 2HB PRO 59 7.214 2.927 18.994 455 1HG PRO 59 1HG PRO 59 4.569 1.583 19.392 456 2HG PRO 59 2HG PRO 59 5.338 2.116 17.886 457 1HD PRO 59 1HD PRO 59 5.368 -0.465 18.703 458 2HD PRO 59 2HD PRO 59 6.697 0.259 17.775 459 H GLY 60 H GLY 60 7.204 3.266 22.362 460 1HA GLY 60 1HA GLY 60 5.799 1.631 24.353 461 2HA GLY 60 2HA GLY 60 6.737 3.079 24.687 462 H VAL 61 H VAL 61 4.159 2.616 25.707 463 HA VAL 61 HA VAL 61 1.983 3.588 24.387 464 HB VAL 61 HB VAL 61 1.298 4.617 26.635 465 1HG1 VAL 61 1HG1 VAL 61 0.311 2.597 26.410 466 2HG1 VAL 61 2HG1 VAL 61 1.816 1.790 25.966 467 3HG1 VAL 61 3HG1 VAL 61 1.466 2.137 27.660 468 1HG2 VAL 61 1HG2 VAL 61 2.967 3.277 28.355 469 2HG2 VAL 61 2HG2 VAL 61 4.084 3.925 27.153 470 3HG2 VAL 61 3HG2 VAL 61 3.004 5.010 28.028 471 H PHE 62 H PHE 62 4.188 5.628 26.318 472 HA PHE 62 HA PHE 62 3.207 8.098 25.867 473 1HB PHE 62 1HB PHE 62 6.069 7.164 25.916 474 2HB PHE 62 2HB PHE 62 5.661 8.871 25.769 475 HD1 PHE 62 1HD PHE 62 5.297 5.897 27.936 476 HD2 PHE 62 2HD PHE 62 5.047 10.136 27.648 477 HE1 PHE 62 1HE PHE 62 5.076 6.047 30.382 478 HE2 PHE 62 2HE PHE 62 4.826 10.293 30.093 479 HZ PHE 62 HZ PHE 62 4.841 8.247 31.464 480 H ASP 63 H ASP 63 5.115 6.207 23.573 481 HA ASP 63 HA ASP 63 5.043 8.300 21.579 482 1HB ASP 63 1HB ASP 63 6.208 5.543 21.724 483 2HB ASP 63 2HB ASP 63 6.020 6.325 20.157 484 H LEU 64 H LEU 64 2.578 8.242 21.828 485 HA LEU 64 HA LEU 64 1.049 6.136 20.782 486 1HB LEU 64 1HB LEU 64 0.311 9.044 20.597 487 2HB LEU 64 2HB LEU 64 -0.766 7.654 20.716 488 HG LEU 64 HG LEU 64 1.045 8.644 22.918 489 1HD1 LEU 64 1HD1 LEU 64 -1.122 9.288 23.988 490 2HD1 LEU 64 2HD1 LEU 64 -1.905 9.001 22.435 491 3HD1 LEU 64 3HD1 LEU 64 -0.676 10.257 22.583 492 1HD2 LEU 64 1HD2 LEU 64 0.317 6.140 22.705 493 2HD2 LEU 64 2HD2 LEU 64 -1.231 6.751 23.288 494 3HD2 LEU 64 3HD2 LEU 64 0.226 6.968 24.259 495 H ILE 65 H ILE 65 2.870 8.655 19.239 496 HA ILE 65 HA ILE 65 1.619 8.635 16.714 497 HB ILE 65 HB ILE 65 4.505 9.242 17.367 498 1HG1 ILE 65 1HG1 ILE 65 2.893 10.633 18.620 499 2HG1 ILE 65 2HG1 ILE 65 3.802 11.577 17.445 500 1HG2 ILE 65 1HG2 ILE 65 4.821 9.949 15.247 501 2HG2 ILE 65 2HG2 ILE 65 3.522 8.809 14.902 502 3HG2 ILE 65 3HG2 ILE 65 3.164 10.527 15.078 503 1HD1 ILE 65 1HD1 ILE 65 1.003 11.352 17.742 504 2HD1 ILE 65 2HD1 ILE 65 1.913 12.300 16.565 505 3HD1 ILE 65 3HD1 ILE 65 1.439 10.643 16.188 506 H ASN 66 H ASN 66 4.523 6.929 17.876 507 HA ASN 66 HA ASN 66 4.818 5.429 15.459 508 1HB ASN 66 1HB ASN 66 6.102 5.279 18.179 509 2HB ASN 66 2HB ASN 66 6.442 4.080 16.935 510 1HD2 ASN 66 1HD2 ASN 66 7.573 6.793 18.292 511 2HD2 ASN 66 2HD2 ASN 66 8.471 7.450 16.970 512 H LYS 67 H LYS 67 3.328 4.873 18.588 513 HA LYS 67 HA LYS 67 2.928 2.102 18.377 514 1HB LYS 67 1HB LYS 67 2.557 3.794 20.367 515 2HB LYS 67 2HB LYS 67 0.912 3.833 19.747 516 1HG LYS 67 1HG LYS 67 0.959 2.208 21.459 517 2HG LYS 67 2HG LYS 67 0.892 1.328 19.930 518 1HD LYS 67 1HD LYS 67 3.031 0.540 20.134 519 2HD LYS 67 2HD LYS 67 3.566 1.926 21.087 520 1HE LYS 67 1HE LYS 67 1.545 0.099 22.277 521 2HE LYS 67 2HE LYS 67 3.211 -0.468 22.166 522 1HZ LYS 67 1HZ LYS 67 3.916 1.017 23.694 523 2HZ LYS 67 2HZ LYS 67 2.310 0.926 24.217 524 3HZ LYS 67 3HZ LYS 67 2.809 2.211 23.237 525 H ALA 68 H ALA 68 1.049 4.841 17.212 526 HA ALA 68 HA ALA 68 -1.261 3.421 16.446 527 1HB ALA 68 1HB ALA 68 -0.146 6.091 15.984 528 2HB ALA 68 2HB ALA 68 -1.189 5.499 14.690 529 3HB ALA 68 3HB ALA 68 -1.800 5.595 16.342 530 H LYS 69 H LYS 69 1.679 4.286 14.657 531 HA LYS 69 HA LYS 69 0.817 3.107 12.208 532 1HB LYS 69 1HB LYS 69 3.342 4.278 13.256 533 2HB LYS 69 2HB LYS 69 3.470 3.195 11.877 534 1HG LYS 69 1HG LYS 69 3.237 5.190 10.804 535 2HG LYS 69 2HG LYS 69 1.543 4.709 10.925 536 1HD LYS 69 1HD LYS 69 1.391 6.050 13.026 537 2HD LYS 69 2HD LYS 69 3.028 6.632 12.713 538 1HE LYS 69 1HE LYS 69 2.370 7.809 10.807 539 2HE LYS 69 2HE LYS 69 0.868 6.898 10.651 540 1HZ LYS 69 1HZ LYS 69 -0.083 8.606 11.678 541 2HZ LYS 69 2HZ LYS 69 1.398 9.282 12.136 542 3HZ LYS 69 3HZ LYS 69 0.679 8.089 13.097 543 H TRP 70 H TRP 70 3.009 2.063 14.800 544 HA TRP 70 HA TRP 70 3.952 -0.294 13.768 545 1HB TRP 70 1HB TRP 70 4.417 0.810 16.054 546 2HB TRP 70 2HB TRP 70 3.037 -0.120 16.631 547 HD1 TRP 70 HD TRP 70 6.606 -0.589 15.290 548 HE1 TRP 70 1HE TRP 70 7.427 -2.934 15.965 549 HE3 TRP 70 3HE TRP 70 2.264 -2.434 17.260 550 HZ2 TRP 70 2HZ TRP 70 6.373 -5.257 17.172 551 HZ3 TRP 70 3HZ TRP 70 2.254 -4.727 18.153 552 HH2 TRP 70 HH TRP 70 4.267 -6.108 18.108 553 H ASP 71 H ASP 71 0.822 0.290 15.301 554 HA ASP 71 HA ASP 71 -0.013 -2.435 15.222 555 1HB ASP 71 1HB ASP 71 -1.357 0.185 15.763 556 2HB ASP 71 2HB ASP 71 -2.345 -1.245 15.476 557 H ALA 72 H ALA 72 -0.043 0.187 12.963 558 HA ALA 72 HA ALA 72 -2.043 -0.956 11.236 559 1HB ALA 72 1HB ALA 72 -1.312 1.541 11.519 560 2HB ALA 72 2HB ALA 72 -0.113 1.113 10.298 561 3HB ALA 72 3HB ALA 72 -1.831 0.933 9.946 562 H TRP 73 H TRP 73 1.494 -0.617 11.156 563 HA TRP 73 HA TRP 73 1.743 -2.105 8.714 564 1HB TRP 73 1HB TRP 73 3.370 -0.363 9.332 565 2HB TRP 73 2HB TRP 73 3.852 -1.313 10.734 566 HD1 TRP 73 HD TRP 73 3.286 -3.436 7.717 567 HE1 TRP 73 1HE TRP 73 5.543 -4.155 6.711 568 HE3 TRP 73 3HE TRP 73 6.375 -0.329 10.352 569 HZ2 TRP 73 2HZ TRP 73 8.273 -3.494 6.998 570 HZ3 TRP 73 3HZ TRP 73 8.796 -0.436 9.927 571 HH2 TRP 73 HH TRP 73 9.724 -1.986 8.284 572 H ASN 74 H ASN 74 1.945 -2.806 12.140 573 HA ASN 74 HA ASN 74 3.154 -5.351 11.938 574 1HB ASN 74 1HB ASN 74 3.115 -4.203 14.061 575 2HB ASN 74 2HB ASN 74 1.354 -4.170 14.061 576 1HD2 ASN 74 1HD2 ASN 74 1.382 -5.209 16.088 577 2HD2 ASN 74 2HD2 ASN 74 1.675 -6.907 16.215 578 H ALA 75 H ALA 75 -0.262 -4.403 12.287 579 HA ALA 75 HA ALA 75 -1.576 -6.737 12.396 580 1HB ALA 75 1HB ALA 75 -3.267 -5.335 12.091 581 2HB ALA 75 2HB ALA 75 -2.184 -4.128 11.400 582 3HB ALA 75 3HB ALA 75 -2.931 -5.340 10.360 583 H LEU 76 H LEU 76 -0.052 -5.429 9.485 584 HA LEU 76 HA LEU 76 -0.966 -7.192 7.578 585 1HB LEU 76 1HB LEU 76 1.631 -5.757 7.942 586 2HB LEU 76 2HB LEU 76 1.431 -6.888 6.605 587 HG LEU 76 HG LEU 76 1.042 -4.393 6.158 588 1HD1 LEU 76 1HD1 LEU 76 -1.142 -5.066 4.839 589 2HD1 LEU 76 2HD1 LEU 76 -0.662 -6.686 5.343 590 3HD1 LEU 76 3HD1 LEU 76 0.442 -5.698 4.387 591 1HD2 LEU 76 1HD2 LEU 76 -0.335 -3.943 8.121 592 2HD2 LEU 76 2HD2 LEU 76 -1.558 -5.069 7.532 593 3HD2 LEU 76 3HD2 LEU 76 -1.214 -3.590 6.634 594 H GLY 77 H GLY 77 1.981 -7.575 9.558 595 1HA GLY 77 1HA GLY 77 2.805 -9.546 10.494 596 2HA GLY 77 2HA GLY 77 1.555 -10.443 9.645 597 H SER 78 H SER 78 2.548 -11.939 8.461 598 HA SER 78 HA SER 78 5.103 -11.373 7.203 599 1HB SER 78 1HB SER 78 3.416 -13.876 7.366 600 2HB SER 78 2HB SER 78 4.938 -13.787 6.480 601 HG SER 78 HG SER 78 5.286 -14.561 8.579 602 H LEU 79 H LEU 79 2.758 -9.939 6.271 603 HA LEU 79 HA LEU 79 1.823 -11.037 3.829 604 1HB LEU 79 1HB LEU 79 0.798 -9.174 5.250 605 2HB LEU 79 2HB LEU 79 1.955 -8.104 4.461 606 HG LEU 79 HG LEU 79 -0.287 -8.008 3.448 607 1HD1 LEU 79 1HD1 LEU 79 1.396 -9.288 1.368 608 2HD1 LEU 79 2HD1 LEU 79 2.044 -7.874 2.199 609 3HD1 LEU 79 3HD1 LEU 79 0.512 -7.763 1.333 610 1HD2 LEU 79 1HD2 LEU 79 -0.205 -10.454 1.972 611 2HD2 LEU 79 2HD2 LEU 79 -1.471 -9.837 3.034 612 3HD2 LEU 79 3HD2 LEU 79 -0.158 -10.810 3.699 613 HA PRO 80 HA PRO 80 5.520 -10.314 1.455 614 1HB PRO 80 1HB PRO 80 4.509 -11.192 -0.907 615 2HB PRO 80 2HB PRO 80 5.029 -12.285 0.381 616 1HG PRO 80 1HG PRO 80 2.269 -11.365 -0.324 617 2HG PRO 80 2HG PRO 80 2.829 -12.989 0.115 618 1HD PRO 80 1HD PRO 80 1.579 -11.355 1.875 619 2HD PRO 80 2HD PRO 80 2.824 -12.518 2.371 620 H LYS 81 H LYS 81 6.176 -8.986 -0.333 621 HA LYS 81 HA LYS 81 4.864 -6.494 -0.447 622 1HB LYS 81 1HB LYS 81 6.937 -7.590 -2.355 623 2HB LYS 81 2HB LYS 81 6.521 -5.896 -2.130 624 1HG LYS 81 1HG LYS 81 7.311 -6.054 0.207 625 2HG LYS 81 2HG LYS 81 7.820 -7.714 -0.112 626 1HD LYS 81 1HD LYS 81 9.387 -6.964 -1.780 627 2HD LYS 81 2HD LYS 81 8.801 -5.305 -1.641 628 1HE LYS 81 1HE LYS 81 9.829 -4.970 0.389 629 2HE LYS 81 2HE LYS 81 9.828 -6.686 0.793 630 1HZ LYS 81 1HZ LYS 81 11.404 -6.496 -1.436 631 2HZ LYS 81 2HZ LYS 81 11.940 -6.690 0.156 632 3HZ LYS 81 3HZ LYS 81 11.834 -5.142 -0.517 633 H GLU 82 H GLU 82 5.030 -9.188 -2.748 634 HA GLU 82 HA GLU 82 3.752 -8.102 -4.920 635 1HB GLU 82 1HB GLU 82 2.769 -10.516 -5.161 636 2HB GLU 82 2HB GLU 82 4.502 -10.252 -5.294 637 1HG GLU 82 1HG GLU 82 4.912 -11.112 -3.153 638 2HG GLU 82 2HG GLU 82 3.212 -11.011 -2.697 639 H ALA 83 H ALA 83 2.367 -9.123 -1.878 640 HA ALA 83 HA ALA 83 -0.345 -8.651 -2.865 641 1HB ALA 83 1HB ALA 83 -0.905 -9.413 -0.457 642 2HB ALA 83 2HB ALA 83 -0.330 -10.606 -1.622 643 3HB ALA 83 3HB ALA 83 0.775 -9.950 -0.414 644 H ALA 84 H ALA 84 2.004 -7.387 -0.569 645 HA ALA 84 HA ALA 84 0.337 -5.548 0.747 646 1HB ALA 84 1HB ALA 84 2.927 -4.443 0.629 647 2HB ALA 84 2HB ALA 84 2.191 -5.356 1.947 648 3HB ALA 84 3HB ALA 84 3.118 -6.195 0.704 649 H ARG 85 H ARG 85 1.945 -5.439 -2.341 650 HA ARG 85 HA ARG 85 1.621 -2.601 -2.692 651 1HB ARG 85 1HB ARG 85 2.509 -4.851 -4.479 652 2HB ARG 85 2HB ARG 85 2.221 -3.239 -5.121 653 1HG ARG 85 1HG ARG 85 3.827 -2.495 -3.208 654 2HG ARG 85 2HG ARG 85 4.341 -4.183 -3.252 655 1HD ARG 85 1HD ARG 85 4.174 -2.560 -5.765 656 2HD ARG 85 2HD ARG 85 5.585 -2.451 -4.714 657 HE ARG 85 HE ARG 85 5.014 -5.156 -5.258 658 1HH1 ARG 85 2HH1 ARG 85 6.245 -2.285 -6.796 659 2HH1 ARG 85 1HH1 ARG 85 7.227 -3.155 -7.928 660 1HH2 ARG 85 2HH2 ARG 85 6.303 -6.312 -6.743 661 2HH2 ARG 85 1HH2 ARG 85 7.258 -5.446 -7.898 662 H GLN 86 H GLN 86 -0.158 -5.497 -3.500 663 HA GLN 86 HA GLN 86 -1.931 -4.250 -5.361 664 1HB GLN 86 1HB GLN 86 -1.342 -6.793 -4.960 665 2HB GLN 86 2HB GLN 86 -2.705 -6.708 -3.851 666 1HG GLN 86 1HG GLN 86 -2.726 -6.134 -6.803 667 2HG GLN 86 2HG GLN 86 -3.472 -7.498 -5.973 668 1HE2 GLN 86 1HE2 GLN 86 -4.040 -4.552 -7.323 669 2HE2 GLN 86 2HE2 GLN 86 -5.527 -4.157 -6.538 670 H ASN 87 H ASN 87 -2.007 -4.922 -1.905 671 HA ASN 87 HA ASN 87 -4.712 -4.247 -1.468 672 1HB ASN 87 1HB ASN 87 -2.287 -4.469 0.278 673 2HB ASN 87 2HB ASN 87 -3.761 -3.762 0.932 674 1HD2 ASN 87 1HD2 ASN 87 -2.078 -6.579 0.427 675 2HD2 ASN 87 2HD2 ASN 87 -3.357 -7.710 0.687 676 H TYR 88 H TYR 88 -1.729 -2.346 -1.083 677 HA TYR 88 HA TYR 88 -2.766 0.019 -0.158 678 1HB TYR 88 1HB TYR 88 -0.357 -0.414 -0.461 679 2HB TYR 88 2HB TYR 88 -0.557 -0.281 -2.205 680 HD1 TYR 88 1HD TYR 88 0.290 1.458 0.735 681 HD2 TYR 88 2HD TYR 88 -1.613 1.982 -3.034 682 HE1 TYR 88 1HE TYR 88 0.678 3.883 0.883 683 HE2 TYR 88 2HE TYR 88 -1.229 4.407 -2.897 684 HH TYR 88 HH TYR 88 -0.872 6.096 -0.763 685 H VAL 89 H VAL 89 -2.385 -0.924 -3.571 686 HA VAL 89 HA VAL 89 -3.577 1.394 -4.648 687 HB VAL 89 HB VAL 89 -3.865 0.035 -6.720 688 1HG1 VAL 89 1HG1 VAL 89 -1.299 0.351 -5.270 689 2HG1 VAL 89 2HG1 VAL 89 -1.287 -0.618 -6.745 690 3HG1 VAL 89 3HG1 VAL 89 -1.835 1.058 -6.794 691 1HG2 VAL 89 1HG2 VAL 89 -2.657 -2.176 -5.060 692 2HG2 VAL 89 2HG2 VAL 89 -4.327 -2.116 -5.625 693 3HG2 VAL 89 3HG2 VAL 89 -3.006 -2.239 -6.788 694 H ASP 90 H ASP 90 -4.895 -1.782 -3.806 695 HA ASP 90 HA ASP 90 -7.429 -1.606 -4.849 696 1HB ASP 90 1HB ASP 90 -6.284 -2.938 -2.438 697 2HB ASP 90 2HB ASP 90 -8.037 -2.883 -2.599 698 H LEU 91 H LEU 91 -6.134 -0.020 -2.005 699 HA LEU 91 HA LEU 91 -8.658 0.912 -1.036 700 1HB LEU 91 1HB LEU 91 -6.693 0.612 0.412 701 2HB LEU 91 2HB LEU 91 -5.874 1.912 -0.451 702 HG LEU 91 HG LEU 91 -6.900 2.447 1.828 703 1HD1 LEU 91 1HD1 LEU 91 -7.375 4.676 1.181 704 2HD1 LEU 91 2HD1 LEU 91 -7.810 4.183 -0.455 705 3HD1 LEU 91 3HD1 LEU 91 -6.132 4.084 0.079 706 1HD2 LEU 91 1HD2 LEU 91 -9.454 2.823 0.331 707 2HD2 LEU 91 2HD2 LEU 91 -9.176 2.692 2.068 708 3HD2 LEU 91 3HD2 LEU 91 -9.089 1.254 1.049 709 H VAL 92 H VAL 92 -5.889 2.671 -2.446 710 HA VAL 92 HA VAL 92 -7.007 5.140 -2.767 711 HB VAL 92 HB VAL 92 -5.214 3.780 -4.783 712 1HG1 VAL 92 1HG1 VAL 92 -5.053 5.719 -5.876 713 2HG1 VAL 92 2HG1 VAL 92 -6.492 6.217 -4.984 714 3HG1 VAL 92 3HG1 VAL 92 -4.889 6.640 -4.382 715 1HG2 VAL 92 1HG2 VAL 92 -3.920 3.638 -2.912 716 2HG2 VAL 92 2HG2 VAL 92 -3.529 5.289 -3.392 717 3HG2 VAL 92 3HG2 VAL 92 -4.716 4.998 -2.121 718 H SER 93 H SER 93 -7.576 2.275 -4.700 719 HA SER 93 HA SER 93 -8.962 3.607 -6.808 720 1HB SER 93 1HB SER 93 -7.964 1.452 -7.246 721 2HB SER 93 2HB SER 93 -8.908 0.703 -5.958 722 HG SER 93 HG SER 93 -9.900 0.279 -7.919 723 H SER 94 H SER 94 -9.871 2.244 -3.727 724 HA SER 94 HA SER 94 -12.656 2.078 -4.164 725 1HB SER 94 1HB SER 94 -11.252 1.072 -2.246 726 2HB SER 94 2HB SER 94 -11.419 2.650 -1.477 727 HG SER 94 HG SER 94 -13.731 1.440 -2.456 728 H LEU 95 H LEU 95 -10.592 4.647 -2.871 729 HA LEU 95 HA LEU 95 -12.629 6.427 -2.128 730 1HB LEU 95 1HB LEU 95 -9.826 7.013 -3.072 731 2HB LEU 95 2HB LEU 95 -10.890 8.168 -2.271 732 HG LEU 95 HG LEU 95 -10.026 5.604 -0.957 733 1HD1 LEU 95 1HD1 LEU 95 -8.057 6.461 -0.304 734 2HD1 LEU 95 2HD1 LEU 95 -8.698 8.096 -0.153 735 3HD1 LEU 95 3HD1 LEU 95 -8.230 7.476 -1.736 736 1HD2 LEU 95 1HD2 LEU 95 -11.932 7.470 -0.284 737 2HD2 LEU 95 2HD2 LEU 95 -10.529 7.975 0.657 738 3HD2 LEU 95 3HD2 LEU 95 -11.158 6.335 0.822 739 H SER 96 H SER 96 -10.856 6.059 -5.175 740 HA SER 96 HA SER 96 -11.960 8.255 -6.519 741 1HB SER 96 1HB SER 96 -10.033 7.182 -7.452 742 2HB SER 96 2HB SER 96 -10.867 5.631 -7.547 743 HG SER 96 HG SER 96 -10.764 7.556 -9.373 744 HA PRO 97 HA PRO 97 -16.121 7.053 -7.291 745 1HB PRO 97 1HB PRO 97 -16.610 8.561 -9.495 746 2HB PRO 97 2HB PRO 97 -16.489 9.246 -7.870 747 1HG PRO 97 1HG PRO 97 -14.433 9.153 -10.044 748 2HG PRO 97 2HG PRO 97 -14.853 10.490 -8.957 749 1HD PRO 97 1HD PRO 97 -12.692 8.908 -8.555 750 2HD PRO 97 2HD PRO 97 -13.608 9.631 -7.217 751 H SER 98 H SER 98 -14.136 7.278 -10.251 752 HA SER 98 HA SER 98 -14.700 4.556 -10.959 753 1HB SER 98 1HB SER 98 -16.011 6.810 -12.478 754 2HB SER 98 2HB SER 98 -15.737 5.223 -13.195 755 HG SER 98 HG SER 98 -17.782 5.247 -12.301 756 H LEU 99 H LEU 99 -13.127 3.754 -12.233 757 HA LEU 99 HA LEU 99 -11.577 5.472 -13.969 758 1HB LEU 99 1HB LEU 99 -10.522 4.351 -11.419 759 2HB LEU 99 2HB LEU 99 -9.451 4.435 -12.816 760 HG LEU 99 HG LEU 99 -10.903 6.828 -11.702 761 1HD1 LEU 99 1HD1 LEU 99 -9.433 5.894 -9.986 762 2HD1 LEU 99 2HD1 LEU 99 -8.817 7.427 -10.601 763 3HD1 LEU 99 3HD1 LEU 99 -8.089 5.910 -11.127 764 1HD2 LEU 99 1HD2 LEU 99 -8.776 7.835 -12.901 765 2HD2 LEU 99 2HD2 LEU 99 -10.252 7.466 -13.795 766 3HD2 LEU 99 3HD2 LEU 99 -8.891 6.344 -13.836 767 H GLU 100 H GLU 100 -9.659 4.064 -14.895 768 HA GLU 100 HA GLU 100 -10.907 1.605 -15.846 769 1HB GLU 100 1HB GLU 100 -9.772 3.454 -17.305 770 2HB GLU 100 2HB GLU 100 -8.279 2.650 -16.840 771 1HG GLU 100 1HG GLU 100 -8.791 0.728 -17.999 772 2HG GLU 100 2HG GLU 100 -10.524 1.050 -17.976 773 H SER 101 H SER 101 -10.420 -0.287 -14.977 774 HA SER 101 HA SER 101 -8.752 -0.812 -12.907 775 1HB SER 101 1HB SER 101 -10.377 -2.432 -13.844 776 2HB SER 101 2HB SER 101 -9.283 -2.722 -15.197 777 HG SER 101 HG SER 101 -8.568 -3.115 -12.481 778 H SER 102 H SER 102 -7.879 -1.389 -16.318 779 HA SER 102 HA SER 102 -5.047 -1.238 -15.521 780 1HB SER 102 1HB SER 102 -6.466 -2.817 -17.643 781 2HB SER 102 2HB SER 102 -4.757 -2.423 -17.833 782 HG SER 102 HG SER 102 -4.257 -3.693 -16.178 783 H SER 103 H SER 103 -3.570 -0.340 -17.172 784 HA SER 103 HA SER 103 -4.859 1.728 -18.823 785 1HB SER 103 1HB SER 103 -2.433 2.058 -17.045 786 2HB SER 103 2HB SER 103 -2.968 3.253 -18.226 787 HG SER 103 HG SER 103 -4.114 2.508 -15.791 788 H GLN 104 H GLN 104 -1.688 0.221 -18.189 789 HA GLN 104 HA GLN 104 -1.289 0.082 -21.105 790 1HB GLN 104 1HB GLN 104 0.208 1.691 -19.839 791 2HB GLN 104 2HB GLN 104 0.916 0.285 -19.057 792 1HG GLN 104 1HG GLN 104 2.199 1.163 -21.002 793 2HG GLN 104 2HG GLN 104 1.761 -0.541 -21.112 794 1HE2 GLN 104 1HE2 GLN 104 1.625 -0.858 -23.242 795 2HE2 GLN 104 2HE2 GLN 104 0.593 0.022 -24.312 796 H VAL 105 H VAL 105 -1.454 -1.942 -21.789 797 HA VAL 105 HA VAL 105 -1.312 -4.207 -20.104 798 HB VAL 105 HB VAL 105 -1.140 -4.060 -23.117 799 1HG1 VAL 105 1HG1 VAL 105 -0.453 -6.199 -22.810 800 2HG1 VAL 105 2HG1 VAL 105 -1.179 -6.319 -21.206 801 3HG1 VAL 105 3HG1 VAL 105 -2.187 -6.472 -22.646 802 1HG2 VAL 105 1HG2 VAL 105 -3.471 -4.355 -23.175 803 2HG2 VAL 105 2HG2 VAL 105 -3.546 -4.778 -21.465 804 3HG2 VAL 105 3HG2 VAL 105 -3.200 -3.118 -21.948 805 H GLU 106 H GLU 106 0.485 -4.919 -19.169 806 HA GLU 106 HA GLU 106 3.028 -4.708 -20.627 807 1HB GLU 106 1HB GLU 106 4.150 -4.778 -18.536 808 2HB GLU 106 2HB GLU 106 2.804 -3.665 -18.335 809 1HG GLU 106 1HG GLU 106 2.585 -6.547 -17.550 810 2HG GLU 106 2HG GLU 106 3.270 -5.337 -16.466 811 HA PRO 107 HA PRO 107 3.198 -9.060 -21.228 812 1HB PRO 107 1HB PRO 107 5.889 -9.394 -21.370 813 2HB PRO 107 2HB PRO 107 4.945 -8.647 -22.663 814 1HG PRO 107 1HG PRO 107 6.575 -7.347 -20.515 815 2HG PRO 107 2HG PRO 107 6.469 -6.943 -22.238 816 1HD PRO 107 1HD PRO 107 5.133 -5.559 -20.333 817 2HD PRO 107 2HD PRO 107 4.495 -5.784 -21.974 818 H GLY 108 H GLY 108 3.696 -11.017 -20.179 819 1HA GLY 108 1HA GLY 108 5.374 -11.471 -18.056 820 2HA GLY 108 2HA GLY 108 3.913 -10.817 -17.330 821 H THR 109 H THR 109 5.434 -13.604 -17.917 822 HA THR 109 HA THR 109 3.288 -15.219 -18.919 823 HB THR 109 HB THR 109 5.840 -16.043 -17.519 824 HG1 THR 109 1HG THR 109 6.707 -16.124 -19.508 825 1HG2 THR 109 1HG2 THR 109 4.601 -17.961 -17.335 826 2HG2 THR 109 2HG2 THR 109 5.232 -18.179 -18.967 827 3HG2 THR 109 3HG2 THR 109 3.593 -17.574 -18.729 828 H ASP 110 H ASP 110 1.643 -16.061 -17.823 829 HA ASP 110 HA ASP 110 1.311 -15.549 -15.036 830 1HB ASP 110 1HB ASP 110 -0.289 -16.986 -17.127 831 2HB ASP 110 2HB ASP 110 -0.728 -17.135 -15.428 832 H SER 111 H SER 111 2.963 -16.594 -13.932 833 HA SER 111 HA SER 111 2.457 -19.331 -13.274 834 1HB SER 111 1HB SER 111 4.734 -18.626 -15.075 835 2HB SER 111 2HB SER 111 4.988 -19.873 -13.854 836 HG SER 111 HG SER 111 3.873 -20.186 -16.183 837 H GLY 112 H GLY 112 3.692 -20.058 -11.456 838 1HA GLY 112 1HA GLY 112 5.495 -19.601 -9.861 839 2HA GLY 112 2HA GLY 112 5.152 -17.891 -10.077 840 HA PRO 113 HA PRO 113 2.139 -20.141 -6.972 841 1HB PRO 113 1HB PRO 113 3.674 -21.159 -4.977 842 2HB PRO 113 2HB PRO 113 3.162 -22.110 -6.376 843 1HG PRO 113 1HG PRO 113 5.779 -20.749 -5.866 844 2HG PRO 113 2HG PRO 113 5.468 -22.361 -6.537 845 1HD PRO 113 1HD PRO 113 6.081 -20.229 -8.091 846 2HD PRO 113 2HD PRO 113 5.011 -21.535 -8.640 847 H SER 114 H SER 114 1.313 -18.487 -5.873 848 HA SER 114 HA SER 114 3.063 -16.981 -4.053 849 1HB SER 114 1HB SER 114 1.313 -15.925 -6.233 850 2HB SER 114 2HB SER 114 1.470 -14.983 -4.750 851 HG SER 114 HG SER 114 3.785 -15.962 -5.986 852 H SER 115 H SER 115 2.056 -16.125 -2.208 853 HA SER 115 HA SER 115 0.298 -17.623 -0.829 854 1HB SER 115 1HB SER 115 -0.341 -15.516 0.429 855 2HB SER 115 2HB SER 115 1.392 -15.814 0.286 856 HG SER 115 HG SER 115 1.347 -14.358 -1.538 857 H GLY 116 H GLY 116 -0.594 -14.981 -3.024 858 1HA GLY 116 1HA GLY 116 -2.874 -16.087 -4.061 859 2HA GLY 116 2HA GLY 116 -3.410 -15.308 -2.580 Start of MODEL 7 1 1H GLY 1 H GLY 1 -33.256 -22.129 -15.032 2 1HA GLY 1 1HA GLY 1 -31.207 -21.487 -15.860 3 2HA GLY 1 2HA GLY 1 -31.419 -20.103 -14.798 4 H SER 2 H SER 2 -30.224 -19.942 -12.954 5 HA SER 2 HA SER 2 -28.286 -20.222 -11.757 6 1HB SER 2 1HB SER 2 -28.282 -22.342 -10.442 7 2HB SER 2 2HB SER 2 -29.845 -21.524 -10.430 8 HG SER 2 HG SER 2 -30.480 -23.474 -10.984 9 H SER 3 H SER 3 -27.778 -20.529 -14.470 10 HA SER 3 HA SER 3 -26.478 -22.884 -15.220 11 1HB SER 3 1HB SER 3 -25.813 -20.068 -16.113 12 2HB SER 3 2HB SER 3 -25.415 -21.557 -16.970 13 HG SER 3 HG SER 3 -27.758 -20.156 -16.902 14 H GLY 4 H GLY 4 -24.276 -23.463 -15.290 15 1HA GLY 4 1HA GLY 4 -22.713 -22.291 -13.093 16 2HA GLY 4 2HA GLY 4 -22.481 -23.895 -13.772 17 H SER 5 H SER 5 -20.294 -22.369 -13.404 18 HA SER 5 HA SER 5 -18.559 -21.248 -14.409 19 1HB SER 5 1HB SER 5 -19.344 -23.104 -16.669 20 2HB SER 5 2HB SER 5 -17.761 -22.366 -16.431 21 HG SER 5 HG SER 5 -18.074 -23.513 -14.220 22 H SER 6 H SER 6 -20.889 -19.742 -14.595 23 HA SER 6 HA SER 6 -20.410 -18.339 -17.125 24 1HB SER 6 1HB SER 6 -23.168 -18.909 -16.014 25 2HB SER 6 2HB SER 6 -22.802 -17.991 -17.474 26 HG SER 6 HG SER 6 -23.048 -19.898 -18.360 27 H GLY 7 H GLY 7 -20.997 -16.089 -17.090 28 1HA GLY 7 1HA GLY 7 -21.612 -14.083 -16.012 29 2HA GLY 7 2HA GLY 7 -21.630 -14.940 -14.478 30 H MET 8 H MET 8 -19.416 -15.739 -13.751 31 HA MET 8 HA MET 8 -17.708 -13.519 -13.475 32 1HB MET 8 1HB MET 8 -17.184 -16.445 -12.925 33 2HB MET 8 2HB MET 8 -16.151 -15.124 -12.394 34 1HG MET 8 1HG MET 8 -19.044 -15.367 -11.622 35 2HG MET 8 2HG MET 8 -17.724 -16.044 -10.673 36 1HE MET 8 1HE MET 8 -19.298 -11.845 -10.588 37 2HE MET 8 2HE MET 8 -19.541 -12.928 -11.959 38 3HE MET 8 3HE MET 8 -20.122 -13.388 -10.357 39 H ASN 9 H ASN 9 -17.105 -12.785 -15.520 40 HA ASN 9 HA ASN 9 -15.348 -14.574 -17.061 41 1HB ASN 9 1HB ASN 9 -17.005 -12.194 -17.896 42 2HB ASN 9 2HB ASN 9 -15.753 -12.882 -18.925 43 1HD2 ASN 9 1HD2 ASN 9 -17.000 -13.674 -20.524 44 2HD2 ASN 9 2HD2 ASN 9 -18.184 -14.914 -20.312 45 H ARG 10 H ARG 10 -13.255 -14.222 -16.782 46 HA ARG 10 HA ARG 10 -11.302 -13.206 -16.154 47 1HB ARG 10 1HB ARG 10 -12.535 -11.204 -18.044 48 2HB ARG 10 2HB ARG 10 -10.896 -11.045 -17.427 49 1HG ARG 10 1HG ARG 10 -10.266 -13.140 -18.457 50 2HG ARG 10 2HG ARG 10 -11.925 -13.392 -19.006 51 1HD ARG 10 1HD ARG 10 -10.123 -11.116 -19.825 52 2HD ARG 10 2HD ARG 10 -10.487 -12.540 -20.799 53 HE ARG 10 HE ARG 10 -12.568 -11.661 -21.275 54 1HH1 ARG 10 2HH1 ARG 10 -10.990 -9.760 -18.822 55 2HH1 ARG 10 1HH1 ARG 10 -12.132 -8.460 -18.911 56 1HH2 ARG 10 2HH2 ARG 10 -14.078 -9.956 -21.401 57 2HH2 ARG 10 1HH2 ARG 10 -13.888 -8.573 -20.377 58 H THR 11 H THR 11 -12.874 -12.997 -14.053 59 HA THR 11 HA THR 11 -13.062 -10.192 -13.254 60 HB THR 11 HB THR 11 -14.971 -11.726 -12.796 61 HG1 THR 11 1HG THR 11 -14.658 -9.877 -11.485 62 1HG2 THR 11 1HG2 THR 11 -12.918 -13.067 -11.052 63 2HG2 THR 11 2HG2 THR 11 -13.953 -13.792 -12.282 64 3HG2 THR 11 3HG2 THR 11 -14.649 -13.230 -10.762 65 H ALA 12 H ALA 12 -10.460 -11.431 -13.589 66 HA ALA 12 HA ALA 12 -9.498 -11.360 -10.803 67 1HB ALA 12 1HB ALA 12 -8.666 -13.377 -11.291 68 2HB ALA 12 2HB ALA 12 -8.882 -13.149 -13.027 69 3HB ALA 12 3HB ALA 12 -7.453 -12.499 -12.223 70 H MET 13 H MET 13 -8.394 -9.597 -10.290 71 HA MET 13 HA MET 13 -6.842 -8.242 -12.395 72 1HB MET 13 1HB MET 13 -8.984 -7.061 -11.662 73 2HB MET 13 2HB MET 13 -8.187 -6.800 -10.116 74 1HG MET 13 1HG MET 13 -6.298 -5.756 -11.530 75 2HG MET 13 2HG MET 13 -7.519 -5.665 -12.796 76 1HE MET 13 1HE MET 13 -9.507 -2.746 -12.153 77 2HE MET 13 2HE MET 13 -9.116 -4.183 -13.099 78 3HE MET 13 3HE MET 13 -10.253 -4.294 -11.755 79 H ARG 14 H ARG 14 -4.921 -7.193 -11.724 80 HA ARG 14 HA ARG 14 -4.012 -7.687 -8.992 81 1HB ARG 14 1HB ARG 14 -1.985 -8.768 -9.660 82 2HB ARG 14 2HB ARG 14 -3.319 -9.632 -10.414 83 1HG ARG 14 1HG ARG 14 -2.763 -8.936 -12.523 84 2HG ARG 14 2HG ARG 14 -1.969 -7.469 -11.946 85 1HD ARG 14 1HD ARG 14 -0.031 -8.617 -11.335 86 2HD ARG 14 2HD ARG 14 -0.848 -10.179 -11.332 87 HE ARG 14 HE ARG 14 -0.391 -10.369 -13.559 88 1HH1 ARG 14 2HH1 ARG 14 -0.090 -7.026 -12.635 89 2HH1 ARG 14 1HH1 ARG 14 0.527 -6.521 -14.173 90 1HH2 ARG 14 2HH2 ARG 14 0.421 -9.716 -15.589 91 2HH2 ARG 14 1HH2 ARG 14 0.816 -8.051 -15.853 92 H ALA 15 H ALA 15 -2.400 -6.288 -8.280 93 HA ALA 15 HA ALA 15 -2.165 -3.841 -9.834 94 1HB ALA 15 1HB ALA 15 -0.834 -4.072 -7.203 95 2HB ALA 15 2HB ALA 15 -1.802 -2.760 -7.877 96 3HB ALA 15 3HB ALA 15 -2.594 -4.193 -7.221 97 H SER 16 H SER 16 0.006 -2.708 -9.779 98 HA SER 16 HA SER 16 2.293 -4.514 -9.873 99 1HB SER 16 1HB SER 16 2.962 -3.721 -12.116 100 2HB SER 16 2HB SER 16 1.421 -4.578 -12.159 101 HG SER 16 HG SER 16 1.881 -1.789 -12.292 102 H GLN 17 H GLN 17 4.271 -3.025 -10.711 103 HA GLN 17 HA GLN 17 4.806 -1.238 -8.649 104 1HB GLN 17 1HB GLN 17 6.510 -2.340 -10.099 105 2HB GLN 17 2HB GLN 17 6.070 -1.235 -11.394 106 1HG GLN 17 1HG GLN 17 8.089 -0.511 -10.252 107 2HG GLN 17 2HG GLN 17 6.784 0.656 -10.051 108 1HE2 GLN 17 1HE2 GLN 17 5.809 0.888 -8.032 109 2HE2 GLN 17 2HE2 GLN 17 6.554 0.308 -6.586 110 H LYS 18 H LYS 18 3.964 -0.507 -12.033 111 HA LYS 18 HA LYS 18 3.916 2.271 -11.804 112 1HB LYS 18 1HB LYS 18 3.699 0.699 -13.887 113 2HB LYS 18 2HB LYS 18 1.973 0.841 -13.582 114 1HG LYS 18 1HG LYS 18 2.230 2.562 -15.035 115 2HG LYS 18 2HG LYS 18 2.564 3.419 -13.529 116 1HD LYS 18 1HD LYS 18 4.967 3.095 -13.884 117 2HD LYS 18 2HD LYS 18 4.628 2.242 -15.392 118 1HE LYS 18 1HE LYS 18 3.921 4.170 -16.470 119 2HE LYS 18 2HE LYS 18 3.578 5.009 -14.958 120 1HZ LYS 18 1HZ LYS 18 5.943 5.035 -16.491 121 2HZ LYS 18 2HZ LYS 18 6.288 4.413 -14.956 122 3HZ LYS 18 3HZ LYS 18 5.567 5.936 -15.109 123 H ASP 19 H ASP 19 1.057 0.136 -11.890 124 HA ASP 19 HA ASP 19 -0.913 1.879 -11.260 125 1HB ASP 19 1HB ASP 19 -0.483 -0.984 -10.493 126 2HB ASP 19 2HB ASP 19 -1.875 -0.118 -9.848 127 H PHE 20 H PHE 20 1.191 0.259 -8.897 128 HA PHE 20 HA PHE 20 0.066 1.351 -6.586 129 1HB PHE 20 1HB PHE 20 1.682 -0.520 -6.590 130 2HB PHE 20 2HB PHE 20 2.959 0.599 -7.055 131 HD1 PHE 20 1HD PHE 20 3.764 2.289 -5.470 132 HD2 PHE 20 2HD PHE 20 0.890 -0.643 -4.346 133 HE1 PHE 20 1HE PHE 20 4.207 2.769 -3.097 134 HE2 PHE 20 2HE PHE 20 1.327 -0.167 -1.972 135 HZ PHE 20 HZ PHE 20 2.987 1.542 -1.345 136 H GLU 21 H GLU 21 3.072 2.405 -8.198 137 HA GLU 21 HA GLU 21 3.590 4.675 -6.769 138 1HB GLU 21 1HB GLU 21 4.067 3.920 -9.620 139 2HB GLU 21 2HB GLU 21 4.411 5.569 -9.117 140 1HG GLU 21 1HG GLU 21 5.503 3.350 -7.477 141 2HG GLU 21 2HG GLU 21 6.243 3.678 -9.043 142 H ASN 22 H ASN 22 1.111 4.190 -9.173 143 HA ASN 22 HA ASN 22 0.476 6.977 -9.455 144 1HB ASN 22 1HB ASN 22 -0.936 4.452 -10.321 145 2HB ASN 22 2HB ASN 22 -1.574 6.063 -10.638 146 1HD2 ASN 22 1HD2 ASN 22 0.022 3.623 -12.014 147 2HD2 ASN 22 2HD2 ASN 22 0.970 4.480 -13.177 148 H SER 23 H SER 23 -0.983 4.205 -7.785 149 HA SER 23 HA SER 23 -3.225 5.496 -6.749 150 1HB SER 23 1HB SER 23 -1.606 3.163 -5.722 151 2HB SER 23 2HB SER 23 -3.083 3.712 -4.929 152 HG SER 23 HG SER 23 -2.747 2.535 -7.457 153 H MET 24 H MET 24 -0.087 4.919 -5.153 154 HA MET 24 HA MET 24 -0.569 6.253 -2.785 155 1HB MET 24 1HB MET 24 1.940 6.674 -2.778 156 2HB MET 24 2HB MET 24 1.427 5.000 -2.944 157 1HG MET 24 1HG MET 24 2.157 4.839 -5.092 158 2HG MET 24 2HG MET 24 1.907 6.551 -5.423 159 1HE MET 24 1HE MET 24 3.439 7.800 -6.030 160 2HE MET 24 2HE MET 24 5.016 8.123 -5.308 161 3HE MET 24 3HE MET 24 4.849 6.870 -6.538 162 H ASN 25 H ASN 25 0.372 7.560 -5.915 163 HA ASN 25 HA ASN 25 0.956 10.182 -5.080 164 1HB ASN 25 1HB ASN 25 1.525 9.190 -7.315 165 2HB ASN 25 2HB ASN 25 -0.171 9.354 -7.761 166 1HD2 ASN 25 1HD2 ASN 25 0.682 10.673 -9.495 167 2HD2 ASN 25 2HD2 ASN 25 1.018 12.342 -9.199 168 H GLN 26 H GLN 26 -2.044 8.763 -6.361 169 HA GLN 26 HA GLN 26 -3.640 11.012 -6.391 170 1HB GLN 26 1HB GLN 26 -4.421 8.183 -5.671 171 2HB GLN 26 2HB GLN 26 -5.556 9.463 -6.079 172 1HG GLN 26 1HG GLN 26 -4.622 9.619 -8.308 173 2HG GLN 26 2HG GLN 26 -3.415 8.397 -7.907 174 1HE2 GLN 26 1HE2 GLN 26 -6.793 8.999 -8.525 175 2HE2 GLN 26 2HE2 GLN 26 -7.236 7.356 -8.821 176 H VAL 27 H VAL 27 -3.027 8.804 -3.681 177 HA VAL 27 HA VAL 27 -4.741 9.995 -1.820 178 HB VAL 27 HB VAL 27 -2.107 8.638 -1.227 179 1HG1 VAL 27 1HG1 VAL 27 -3.090 9.885 0.657 180 2HG1 VAL 27 2HG1 VAL 27 -4.575 8.948 0.481 181 3HG1 VAL 27 3HG1 VAL 27 -3.072 8.144 0.938 182 1HG2 VAL 27 1HG2 VAL 27 -4.599 7.611 -2.292 183 2HG2 VAL 27 2HG2 VAL 27 -3.034 6.817 -2.121 184 3HG2 VAL 27 3HG2 VAL 27 -4.164 6.838 -0.767 185 H LYS 28 H LYS 28 -1.626 10.964 -2.993 186 HA LYS 28 HA LYS 28 -1.193 12.863 -0.841 187 1HB LYS 28 1HB LYS 28 0.359 12.301 -3.373 188 2HB LYS 28 2HB LYS 28 0.841 13.475 -2.156 189 1HG LYS 28 1HG LYS 28 0.904 11.616 -0.495 190 2HG LYS 28 2HG LYS 28 0.622 10.493 -1.827 191 1HD LYS 28 1HD LYS 28 2.680 11.755 -2.883 192 2HD LYS 28 2HD LYS 28 3.029 12.133 -1.195 193 1HE LYS 28 1HE LYS 28 2.749 9.633 -0.760 194 2HE LYS 28 2HE LYS 28 2.835 9.439 -2.511 195 1HZ LYS 28 1HZ LYS 28 4.921 10.484 -0.689 196 2HZ LYS 28 2HZ LYS 28 4.992 10.710 -2.364 197 3HZ LYS 28 3HZ LYS 28 5.009 9.145 -1.721 198 H LEU 29 H LEU 29 -2.716 12.778 -3.895 199 HA LEU 29 HA LEU 29 -2.419 15.538 -4.569 200 1HB LEU 29 1HB LEU 29 -4.009 13.241 -5.565 201 2HB LEU 29 2HB LEU 29 -4.585 14.859 -5.959 202 HG LEU 29 HG LEU 29 -2.581 15.356 -7.163 203 1HD1 LEU 29 1HD1 LEU 29 -1.226 13.863 -5.464 204 2HD1 LEU 29 2HD1 LEU 29 -0.626 14.181 -7.091 205 3HD1 LEU 29 3HD1 LEU 29 -1.426 12.651 -6.730 206 1HD2 LEU 29 1HD2 LEU 29 -3.236 12.543 -7.974 207 2HD2 LEU 29 2HD2 LEU 29 -2.831 13.925 -8.992 208 3HD2 LEU 29 3HD2 LEU 29 -4.395 13.857 -8.179 209 H LEU 30 H LEU 30 -5.059 13.619 -3.154 210 HA LEU 30 HA LEU 30 -6.913 15.676 -2.850 211 1HB LEU 30 1HB LEU 30 -7.995 14.275 -1.214 212 2HB LEU 30 2HB LEU 30 -7.424 13.294 -2.563 213 HG LEU 30 HG LEU 30 -5.366 12.886 -0.979 214 1HD1 LEU 30 1HD1 LEU 30 -5.539 13.693 1.075 215 2HD1 LEU 30 2HD1 LEU 30 -6.998 12.733 1.323 216 3HD1 LEU 30 3HD1 LEU 30 -7.120 14.377 0.696 217 1HD2 LEU 30 1HD2 LEU 30 -6.786 11.001 0.097 218 2HD2 LEU 30 2HD2 LEU 30 -6.554 11.018 -1.652 219 3HD2 LEU 30 3HD2 LEU 30 -8.067 11.601 -0.957 220 H LYS 31 H LYS 31 -7.082 17.362 -1.517 221 HA LYS 31 HA LYS 31 -5.053 17.665 0.581 222 1HB LYS 31 1HB LYS 31 -5.585 19.393 -1.349 223 2HB LYS 31 2HB LYS 31 -6.862 19.894 -0.249 224 1HG LYS 31 1HG LYS 31 -5.156 21.305 0.349 225 2HG LYS 31 2HG LYS 31 -4.940 19.988 1.504 226 1HD LYS 31 1HD LYS 31 -3.498 19.972 -1.122 227 2HD LYS 31 2HD LYS 31 -2.874 20.903 0.242 228 1HE LYS 31 1HE LYS 31 -3.230 18.651 1.537 229 2HE LYS 31 2HE LYS 31 -3.156 17.950 -0.079 230 1HZ LYS 31 1HZ LYS 31 -1.073 19.761 1.002 231 2HZ LYS 31 2HZ LYS 31 -0.990 18.814 -0.397 232 3HZ LYS 31 3HZ LYS 31 -0.989 18.076 1.125 233 H LYS 32 H LYS 32 -7.904 16.325 0.501 234 HA LYS 32 HA LYS 32 -8.969 17.661 2.894 235 1HB LYS 32 1HB LYS 32 -10.965 16.026 2.275 236 2HB LYS 32 2HB LYS 32 -10.778 17.590 1.494 237 1HG LYS 32 1HG LYS 32 -9.830 16.598 -0.447 238 2HG LYS 32 2HG LYS 32 -9.693 15.029 0.349 239 1HD LYS 32 1HD LYS 32 -12.191 15.018 0.556 240 2HD LYS 32 2HD LYS 32 -12.219 16.466 -0.452 241 1HE LYS 32 1HE LYS 32 -12.550 14.782 -2.002 242 2HE LYS 32 2HE LYS 32 -10.808 15.039 -2.096 243 1HZ LYS 32 1HZ LYS 32 -11.743 13.052 -0.180 244 2HZ LYS 32 2HZ LYS 32 -10.369 13.042 -1.168 245 3HZ LYS 32 3HZ LYS 32 -11.881 12.648 -1.817 246 H ASP 33 H ASP 33 -7.651 16.716 4.444 247 HA ASP 33 HA ASP 33 -6.829 14.128 4.713 248 1HB ASP 33 1HB ASP 33 -7.827 15.853 6.989 249 2HB ASP 33 2HB ASP 33 -6.693 14.510 7.110 250 HA PRO 34 HA PRO 34 -10.756 11.988 4.890 251 1HB PRO 34 1HB PRO 34 -9.678 9.497 4.889 252 2HB PRO 34 2HB PRO 34 -9.838 10.475 3.425 253 1HG PRO 34 1HG PRO 34 -7.440 10.047 5.166 254 2HG PRO 34 2HG PRO 34 -7.548 10.072 3.396 255 1HD PRO 34 1HD PRO 34 -6.663 12.191 4.832 256 2HD PRO 34 2HD PRO 34 -7.547 12.375 3.303 257 H GLY 35 H GLY 35 -7.991 10.807 6.825 258 1HA GLY 35 1HA GLY 35 -8.885 11.291 9.338 259 2HA GLY 35 2HA GLY 35 -9.746 9.824 8.895 260 H ASN 36 H ASN 36 -7.590 10.425 10.908 261 HA ASN 36 HA ASN 36 -5.130 9.386 10.249 262 1HB ASN 36 1HB ASN 36 -6.727 9.491 12.762 263 2HB ASN 36 2HB ASN 36 -5.303 8.456 12.743 264 1HD2 ASN 36 1HD2 ASN 36 -3.645 9.433 13.629 265 2HD2 ASN 36 2HD2 ASN 36 -3.224 11.099 13.450 266 H GLU 37 H GLU 37 -8.143 7.750 10.453 267 HA GLU 37 HA GLU 37 -7.291 5.136 11.011 268 1HB GLU 37 1HB GLU 37 -9.630 5.670 11.099 269 2HB GLU 37 2HB GLU 37 -9.637 6.162 9.412 270 1HG GLU 37 1HG GLU 37 -10.585 4.087 9.275 271 2HG GLU 37 2HG GLU 37 -8.890 3.705 8.980 272 H VAL 38 H VAL 38 -8.096 6.540 7.829 273 HA VAL 38 HA VAL 38 -6.993 4.381 6.362 274 HB VAL 38 HB VAL 38 -8.676 5.780 5.343 275 1HG1 VAL 38 1HG1 VAL 38 -6.664 8.023 5.502 276 2HG1 VAL 38 2HG1 VAL 38 -8.252 8.103 4.737 277 3HG1 VAL 38 3HG1 VAL 38 -8.123 7.876 6.481 278 1HG2 VAL 38 1HG2 VAL 38 -6.785 4.724 3.979 279 2HG2 VAL 38 2HG2 VAL 38 -7.754 5.974 3.198 280 3HG2 VAL 38 3HG2 VAL 38 -6.152 6.364 3.824 281 H LYS 39 H LYS 39 -5.778 7.628 7.134 282 HA LYS 39 HA LYS 39 -3.458 7.730 5.718 283 1HB LYS 39 1HB LYS 39 -3.982 8.610 8.556 284 2HB LYS 39 2HB LYS 39 -2.499 9.001 7.695 285 1HG LYS 39 1HG LYS 39 -3.531 10.487 6.305 286 2HG LYS 39 2HG LYS 39 -5.091 9.666 6.403 287 1HD LYS 39 1HD LYS 39 -5.626 10.655 8.433 288 2HD LYS 39 2HD LYS 39 -3.940 11.007 8.819 289 1HE LYS 39 1HE LYS 39 -5.365 12.312 6.518 290 2HE LYS 39 2HE LYS 39 -5.422 12.972 8.152 291 1HZ LYS 39 1HZ LYS 39 -3.101 13.308 8.147 292 2HZ LYS 39 2HZ LYS 39 -3.655 13.905 6.664 293 3HZ LYS 39 3HZ LYS 39 -2.882 12.402 6.736 294 H LEU 40 H LEU 40 -4.193 5.617 8.360 295 HA LEU 40 HA LEU 40 -1.427 4.840 8.765 296 1HB LEU 40 1HB LEU 40 -4.030 3.929 9.963 297 2HB LEU 40 2HB LEU 40 -2.492 3.146 10.324 298 HG LEU 40 HG LEU 40 -2.966 6.076 10.820 299 1HD1 LEU 40 1HD1 LEU 40 -4.549 5.285 12.257 300 2HD1 LEU 40 2HD1 LEU 40 -3.118 5.107 13.272 301 3HD1 LEU 40 3HD1 LEU 40 -3.776 3.709 12.422 302 1HD2 LEU 40 1HD2 LEU 40 -1.071 4.268 12.267 303 2HD2 LEU 40 2HD2 LEU 40 -1.008 6.018 12.056 304 3HD2 LEU 40 3HD2 LEU 40 -0.635 4.951 10.701 305 H LYS 41 H LYS 41 -4.429 3.285 7.648 306 HA LYS 41 HA LYS 41 -3.406 0.800 6.989 307 1HB LYS 41 1HB LYS 41 -5.399 0.410 5.927 308 2HB LYS 41 2HB LYS 41 -5.846 1.820 6.878 309 1HG LYS 41 1HG LYS 41 -5.310 3.225 4.872 310 2HG LYS 41 2HG LYS 41 -5.138 1.725 3.957 311 1HD LYS 41 1HD LYS 41 -7.621 2.468 5.496 312 2HD LYS 41 2HD LYS 41 -7.388 2.828 3.784 313 1HE LYS 41 1HE LYS 41 -7.467 0.112 5.088 314 2HE LYS 41 2HE LYS 41 -8.652 0.797 3.977 315 1HZ LYS 41 1HZ LYS 41 -6.273 0.931 2.630 316 2HZ LYS 41 2HZ LYS 41 -7.509 -0.195 2.373 317 3HZ LYS 41 3HZ LYS 41 -6.220 -0.574 3.401 318 H LEU 42 H LEU 42 -3.229 3.823 5.227 319 HA LEU 42 HA LEU 42 -2.269 2.688 2.791 320 1HB LEU 42 1HB LEU 42 -2.575 5.414 3.919 321 2HB LEU 42 2HB LEU 42 -1.429 5.208 2.596 322 HG LEU 42 HG LEU 42 -3.571 5.958 1.753 323 1HD1 LEU 42 1HD1 LEU 42 -2.117 4.201 0.558 324 2HD1 LEU 42 2HD1 LEU 42 -3.764 4.463 -0.014 325 3HD1 LEU 42 3HD1 LEU 42 -3.394 3.066 0.996 326 1HD2 LEU 42 1HD2 LEU 42 -4.802 4.787 3.717 327 2HD2 LEU 42 2HD2 LEU 42 -4.854 3.402 2.626 328 3HD2 LEU 42 3HD2 LEU 42 -5.602 4.928 2.151 329 H TYR 43 H TYR 43 -0.807 3.698 5.771 330 HA TYR 43 HA TYR 43 1.874 3.740 4.676 331 1HB TYR 43 1HB TYR 43 1.841 5.258 6.380 332 2HB TYR 43 2HB TYR 43 0.616 4.378 7.286 333 HD1 TYR 43 1HD TYR 43 4.191 4.813 6.700 334 HD2 TYR 43 2HD TYR 43 1.254 2.557 8.794 335 HE1 TYR 43 1HE TYR 43 5.936 3.946 8.201 336 HE2 TYR 43 2HE TYR 43 2.991 1.684 10.301 337 HH TYR 43 HH TYR 43 5.549 1.316 10.143 338 H ALA 44 H ALA 44 -0.182 1.588 6.524 339 HA ALA 44 HA ALA 44 1.717 -0.228 7.456 340 1HB ALA 44 1HB ALA 44 -0.222 -1.887 7.325 341 2HB ALA 44 2HB ALA 44 -0.447 -0.449 8.321 342 3HB ALA 44 3HB ALA 44 -1.176 -0.534 6.717 343 H LEU 45 H LEU 45 0.003 -0.115 4.356 344 HA LEU 45 HA LEU 45 1.234 -2.512 3.372 345 1HB LEU 45 1HB LEU 45 -0.463 -0.365 2.148 346 2HB LEU 45 2HB LEU 45 0.288 -1.610 1.153 347 HG LEU 45 HG LEU 45 -1.847 -2.435 1.487 348 1HD1 LEU 45 1HD1 LEU 45 -0.477 -3.628 3.877 349 2HD1 LEU 45 2HD1 LEU 45 0.024 -3.990 2.226 350 3HD1 LEU 45 3HD1 LEU 45 -1.608 -4.391 2.760 351 1HD2 LEU 45 1HD2 LEU 45 -2.607 -0.766 3.075 352 2HD2 LEU 45 2HD2 LEU 45 -1.660 -1.522 4.357 353 3HD2 LEU 45 3HD2 LEU 45 -3.026 -2.382 3.643 354 H TYR 46 H TYR 46 1.654 0.961 2.761 355 HA TYR 46 HA TYR 46 3.510 0.972 0.772 356 1HB TYR 46 1HB TYR 46 2.838 3.083 1.503 357 2HB TYR 46 2HB TYR 46 3.180 2.717 3.190 358 HD1 TYR 46 1HD TYR 46 5.026 2.949 -0.057 359 HD2 TYR 46 2HD TYR 46 5.021 3.738 4.124 360 HE1 TYR 46 1HE TYR 46 7.214 4.051 -0.269 361 HE2 TYR 46 2HE TYR 46 7.209 4.844 3.923 362 HH TYR 46 HH TYR 46 9.050 5.043 2.525 363 H LYS 47 H LYS 47 4.251 0.705 4.247 364 HA LYS 47 HA LYS 47 7.034 0.258 3.823 365 1HB LYS 47 1HB LYS 47 5.293 -0.249 6.242 366 2HB LYS 47 2HB LYS 47 7.048 -0.361 6.235 367 1HG LYS 47 1HG LYS 47 5.761 2.166 5.328 368 2HG LYS 47 2HG LYS 47 5.839 1.809 7.055 369 1HD LYS 47 1HD LYS 47 8.284 1.594 5.335 370 2HD LYS 47 2HD LYS 47 7.760 3.157 5.965 371 1HE LYS 47 1HE LYS 47 7.780 2.159 8.251 372 2HE LYS 47 2HE LYS 47 8.479 0.698 7.555 373 1HZ LYS 47 1HZ LYS 47 9.683 3.376 7.819 374 2HZ LYS 47 2HZ LYS 47 10.249 2.297 6.645 375 3HZ LYS 47 3HZ LYS 47 10.313 1.875 8.282 376 H GLN 48 H GLN 48 4.293 -1.720 3.552 377 HA GLN 48 HA GLN 48 5.660 -4.200 4.158 378 1HB GLN 48 1HB GLN 48 3.158 -3.687 4.526 379 2HB GLN 48 2HB GLN 48 2.988 -3.971 2.799 380 1HG GLN 48 1HG GLN 48 2.508 -6.044 3.611 381 2HG GLN 48 2HG GLN 48 4.244 -6.199 3.352 382 1HE2 GLN 48 1HE2 GLN 48 4.191 -7.908 4.898 383 2HE2 GLN 48 2HE2 GLN 48 4.178 -7.556 6.589 384 H ALA 49 H ALA 49 4.722 -2.336 1.344 385 HA ALA 49 HA ALA 49 5.679 -4.434 -0.453 386 1HB ALA 49 1HB ALA 49 3.767 -3.642 -1.403 387 2HB ALA 49 2HB ALA 49 3.994 -2.011 -0.769 388 3HB ALA 49 3HB ALA 49 4.930 -2.554 -2.162 389 H THR 50 H THR 50 7.269 -2.444 1.346 390 HA THR 50 HA THR 50 9.240 -1.789 -0.733 391 HB THR 50 HB THR 50 9.778 0.325 0.475 392 HG1 THR 50 1HG THR 50 7.426 -0.385 1.914 393 1HG2 THR 50 1HG2 THR 50 7.075 -0.086 -0.766 394 2HG2 THR 50 2HG2 THR 50 8.514 0.657 -1.464 395 3HG2 THR 50 3HG2 THR 50 7.596 1.508 -0.221 396 H GLU 51 H GLU 51 8.646 -2.085 2.760 397 HA GLU 51 HA GLU 51 11.458 -2.850 3.125 398 1HB GLU 51 1HB GLU 51 9.472 -2.234 5.308 399 2HB GLU 51 2HB GLU 51 11.225 -2.289 5.427 400 1HG GLU 51 1HG GLU 51 9.841 -0.304 3.663 401 2HG GLU 51 2HG GLU 51 10.085 -0.003 5.383 402 H GLY 52 H GLY 52 8.155 -3.949 3.562 403 1HA GLY 52 1HA GLY 52 7.739 -6.335 3.290 404 2HA GLY 52 2HA GLY 52 9.222 -6.630 4.186 405 HA PRO 53 HA PRO 53 5.924 -7.250 7.267 406 1HB PRO 53 1HB PRO 53 7.354 -9.025 8.742 407 2HB PRO 53 2HB PRO 53 6.441 -9.488 7.301 408 1HG PRO 53 1HG PRO 53 9.370 -8.942 7.593 409 2HG PRO 53 2HG PRO 53 8.558 -10.240 6.699 410 1HD PRO 53 1HD PRO 53 9.533 -8.024 5.486 411 2HD PRO 53 2HD PRO 53 8.093 -8.879 4.897 412 H CYS 54 H CYS 54 5.674 -6.229 9.186 413 HA CYS 54 HA CYS 54 7.308 -4.210 10.033 414 1HB CYS 54 1HB CYS 54 5.083 -4.334 10.884 415 2HB CYS 54 2HB CYS 54 5.378 -5.909 11.612 416 HG CYS 54 HG CYS 54 7.002 -4.982 13.637 417 H ASN 55 H ASN 55 9.429 -4.426 10.406 418 HA ASN 55 HA ASN 55 10.287 -6.524 12.290 419 1HB ASN 55 1HB ASN 55 12.240 -6.863 11.098 420 2HB ASN 55 2HB ASN 55 11.114 -6.501 9.794 421 1HD2 ASN 55 1HD2 ASN 55 11.132 -4.380 8.891 422 2HD2 ASN 55 2HD2 ASN 55 12.566 -3.419 8.954 423 H MET 56 H MET 56 9.440 -3.546 12.496 424 HA MET 56 HA MET 56 11.846 -2.395 13.666 425 1HB MET 56 1HB MET 56 10.271 -0.420 14.064 426 2HB MET 56 2HB MET 56 10.652 -0.818 12.395 427 1HG MET 56 1HG MET 56 8.537 -1.873 12.086 428 2HG MET 56 2HG MET 56 8.166 -1.747 13.804 429 1HE MET 56 1HE MET 56 7.341 1.571 14.646 430 2HE MET 56 2HE MET 56 8.684 0.462 14.925 431 3HE MET 56 3HE MET 56 8.952 1.970 14.051 432 HA PRO 57 HA PRO 57 10.905 -3.325 17.850 433 1HB PRO 57 1HB PRO 57 11.798 -1.096 19.117 434 2HB PRO 57 2HB PRO 57 12.883 -2.297 18.406 435 1HG PRO 57 1HG PRO 57 11.980 0.333 17.297 436 2HG PRO 57 2HG PRO 57 13.600 -0.389 17.286 437 1HD PRO 57 1HD PRO 57 11.964 -0.449 15.129 438 2HD PRO 57 2HD PRO 57 13.119 -1.749 15.487 439 H LYS 58 H LYS 58 9.088 -3.288 19.014 440 HA LYS 58 HA LYS 58 6.900 -1.676 18.432 441 1HB LYS 58 1HB LYS 58 6.823 -3.856 19.642 442 2HB LYS 58 2HB LYS 58 7.465 -3.049 21.066 443 1HG LYS 58 1HG LYS 58 5.512 -1.863 21.437 444 2HG LYS 58 2HG LYS 58 4.960 -2.058 19.772 445 1HD LYS 58 1HD LYS 58 4.733 -4.514 20.236 446 2HD LYS 58 2HD LYS 58 5.059 -4.157 21.934 447 1HE LYS 58 1HE LYS 58 3.113 -2.655 21.971 448 2HE LYS 58 2HE LYS 58 2.781 -3.058 20.287 449 1HZ LYS 58 1HZ LYS 58 1.400 -4.348 21.781 450 2HZ LYS 58 2HZ LYS 58 2.766 -4.966 22.564 451 3HZ LYS 58 3HZ LYS 58 2.465 -5.366 20.948 452 HA PRO 59 HA PRO 59 8.059 2.152 20.353 453 1HB PRO 59 1HB PRO 59 5.670 3.399 20.027 454 2HB PRO 59 2HB PRO 59 6.820 3.167 18.706 455 1HG PRO 59 1HG PRO 59 4.373 1.582 19.388 456 2HG PRO 59 2HG PRO 59 4.947 2.127 17.801 457 1HD PRO 59 1HD PRO 59 5.316 -0.402 18.695 458 2HD PRO 59 2HD PRO 59 6.477 0.411 17.626 459 H GLY 60 H GLY 60 7.148 3.612 22.078 460 1HA GLY 60 1HA GLY 60 6.200 1.954 24.275 461 2HA GLY 60 2HA GLY 60 6.813 3.597 24.396 462 H VAL 61 H VAL 61 4.457 2.555 25.654 463 HA VAL 61 HA VAL 61 2.069 3.127 24.358 464 HB VAL 61 HB VAL 61 1.321 3.774 26.802 465 1HG1 VAL 61 1HG1 VAL 61 2.223 1.007 26.009 466 2HG1 VAL 61 2HG1 VAL 61 1.103 1.378 27.321 467 3HG1 VAL 61 3HG1 VAL 61 0.661 1.744 25.653 468 1HG2 VAL 61 1HG2 VAL 61 3.787 2.200 27.462 469 2HG2 VAL 61 2HG2 VAL 61 3.802 3.964 27.444 470 3HG2 VAL 61 3HG2 VAL 61 2.725 3.102 28.543 471 H PHE 62 H PHE 62 4.300 5.277 26.036 472 HA PHE 62 HA PHE 62 2.659 7.568 26.057 473 1HB PHE 62 1HB PHE 62 5.660 7.672 25.845 474 2HB PHE 62 2HB PHE 62 4.581 8.773 26.695 475 HD1 PHE 62 1HD PHE 62 7.107 7.186 27.656 476 HD2 PHE 62 2HD PHE 62 2.910 6.594 28.041 477 HE1 PHE 62 1HE PHE 62 7.478 5.932 29.740 478 HE2 PHE 62 2HE PHE 62 3.274 5.339 30.126 479 HZ PHE 62 HZ PHE 62 5.561 5.007 30.978 480 H ASP 63 H ASP 63 4.201 5.955 23.510 481 HA ASP 63 HA ASP 63 4.137 8.345 21.799 482 1HB ASP 63 1HB ASP 63 5.693 5.798 21.730 483 2HB ASP 63 2HB ASP 63 5.331 6.595 20.202 484 H LEU 64 H LEU 64 1.752 8.118 21.833 485 HA LEU 64 HA LEU 64 0.388 5.928 20.756 486 1HB LEU 64 1HB LEU 64 -0.460 8.798 20.467 487 2HB LEU 64 2HB LEU 64 -1.488 7.369 20.525 488 HG LEU 64 HG LEU 64 0.136 8.416 22.842 489 1HD1 LEU 64 1HD1 LEU 64 -2.655 8.928 21.936 490 2HD1 LEU 64 2HD1 LEU 64 -1.484 10.027 22.665 491 3HD1 LEU 64 3HD1 LEU 64 -2.316 8.836 23.664 492 1HD2 LEU 64 1HD2 LEU 64 -2.104 6.689 23.438 493 2HD2 LEU 64 2HD2 LEU 64 -0.419 6.565 23.944 494 3HD2 LEU 64 3HD2 LEU 64 -0.928 5.889 22.396 495 H ILE 65 H ILE 65 1.695 8.824 19.186 496 HA ILE 65 HA ILE 65 0.724 8.537 16.637 497 HB ILE 65 HB ILE 65 3.327 9.584 17.676 498 1HG1 ILE 65 1HG1 ILE 65 1.435 11.099 15.941 499 2HG1 ILE 65 2HG1 ILE 65 0.917 10.715 17.579 500 1HG2 ILE 65 1HG2 ILE 65 4.212 8.853 15.696 501 2HG2 ILE 65 2HG2 ILE 65 2.669 8.937 14.848 502 3HG2 ILE 65 3HG2 ILE 65 3.568 10.415 15.191 503 1HD1 ILE 65 1HD1 ILE 65 2.792 12.709 16.643 504 2HD1 ILE 65 2HD1 ILE 65 1.963 12.571 18.193 505 3HD1 ILE 65 3HD1 ILE 65 3.471 11.698 17.918 506 H ASN 66 H ASN 66 3.845 7.224 17.774 507 HA ASN 66 HA ASN 66 4.307 5.682 15.452 508 1HB ASN 66 1HB ASN 66 5.435 5.459 18.249 509 2HB ASN 66 2HB ASN 66 6.016 4.516 16.880 510 1HD2 ASN 66 1HD2 ASN 66 5.538 7.808 18.041 511 2HD2 ASN 66 2HD2 ASN 66 6.845 8.504 17.150 512 H LYS 67 H LYS 67 3.033 4.828 18.655 513 HA LYS 67 HA LYS 67 2.751 2.101 18.343 514 1HB LYS 67 1HB LYS 67 2.240 3.638 20.375 515 2HB LYS 67 2HB LYS 67 0.618 3.721 19.700 516 1HG LYS 67 1HG LYS 67 0.697 2.014 21.385 517 2HG LYS 67 2HG LYS 67 0.483 1.260 19.804 518 1HD LYS 67 1HD LYS 67 2.687 0.481 19.749 519 2HD LYS 67 2HD LYS 67 3.209 1.597 21.013 520 1HE LYS 67 1HE LYS 67 3.069 -0.653 21.898 521 2HE LYS 67 2HE LYS 67 1.834 0.364 22.638 522 1HZ LYS 67 1HZ LYS 67 1.358 -2.041 21.578 523 2HZ LYS 67 2HZ LYS 67 0.998 -1.051 20.255 524 3HZ LYS 67 3HZ LYS 67 0.187 -0.827 21.723 525 H ALA 68 H ALA 68 0.669 4.689 17.175 526 HA ALA 68 HA ALA 68 -1.507 3.118 16.349 527 1HB ALA 68 1HB ALA 68 -2.367 5.052 15.617 528 2HB ALA 68 2HB ALA 68 -0.963 5.788 16.391 529 3HB ALA 68 3HB ALA 68 -0.936 5.440 14.662 530 H LYS 69 H LYS 69 1.393 4.181 14.598 531 HA LYS 69 HA LYS 69 0.670 2.915 12.151 532 1HB LYS 69 1HB LYS 69 3.119 4.223 13.240 533 2HB LYS 69 2HB LYS 69 3.292 3.187 11.830 534 1HG LYS 69 1HG LYS 69 2.140 4.604 10.470 535 2HG LYS 69 2HG LYS 69 1.155 5.246 11.787 536 1HD LYS 69 1HD LYS 69 3.183 6.413 12.645 537 2HD LYS 69 2HD LYS 69 4.048 5.873 11.204 538 1HE LYS 69 1HE LYS 69 2.774 7.212 9.791 539 2HE LYS 69 2HE LYS 69 1.470 7.379 10.965 540 1HZ LYS 69 1HZ LYS 69 4.157 8.632 11.118 541 2HZ LYS 69 2HZ LYS 69 2.990 8.718 12.339 542 3HZ LYS 69 3HZ LYS 69 2.688 9.422 10.831 543 H TRP 70 H TRP 70 2.858 2.041 14.806 544 HA TRP 70 HA TRP 70 3.976 -0.261 13.809 545 1HB TRP 70 1HB TRP 70 4.337 0.903 16.087 546 2HB TRP 70 2HB TRP 70 3.018 -0.116 16.659 547 HD1 TRP 70 HD TRP 70 6.609 -0.377 15.296 548 HE1 TRP 70 1HE TRP 70 7.590 -2.639 16.032 549 HE3 TRP 70 3HE TRP 70 2.426 -2.431 17.398 550 HZ2 TRP 70 2HZ TRP 70 6.708 -4.985 17.332 551 HZ3 TRP 70 3HZ TRP 70 2.579 -4.688 18.365 552 HH2 TRP 70 HH TRP 70 4.677 -5.937 18.331 553 H ASP 71 H ASP 71 0.769 0.177 15.199 554 HA ASP 71 HA ASP 71 0.124 -2.618 15.156 555 1HB ASP 71 1HB ASP 71 -1.380 -0.092 15.721 556 2HB ASP 71 2HB ASP 71 -2.278 -1.577 15.419 557 H ALA 72 H ALA 72 -0.072 0.019 12.922 558 HA ALA 72 HA ALA 72 -2.010 -1.201 11.188 559 1HB ALA 72 1HB ALA 72 -1.727 1.238 11.314 560 2HB ALA 72 2HB ALA 72 -0.112 1.074 10.625 561 3HB ALA 72 3HB ALA 72 -1.526 0.627 9.672 562 H TRP 73 H TRP 73 1.512 -0.906 11.256 563 HA TRP 73 HA TRP 73 1.806 -2.356 8.769 564 1HB TRP 73 1HB TRP 73 3.363 -0.529 9.378 565 2HB TRP 73 2HB TRP 73 3.913 -1.479 10.756 566 HD1 TRP 73 HD TRP 73 3.335 -3.456 7.605 567 HE1 TRP 73 1HE TRP 73 5.601 -4.127 6.584 568 HE3 TRP 73 3HE TRP 73 6.414 -0.571 10.493 569 HZ2 TRP 73 2HZ TRP 73 8.331 -3.515 6.954 570 HZ3 TRP 73 3HZ TRP 73 8.840 -0.673 10.096 571 HH2 TRP 73 HH TRP 73 9.777 -2.115 8.363 572 H ASN 74 H ASN 74 2.024 -2.982 12.205 573 HA ASN 74 HA ASN 74 3.357 -5.460 12.089 574 1HB ASN 74 1HB ASN 74 3.194 -4.325 14.195 575 2HB ASN 74 2HB ASN 74 1.435 -4.311 14.118 576 1HD2 ASN 74 1HD2 ASN 74 1.372 -5.323 16.155 577 2HD2 ASN 74 2HD2 ASN 74 1.681 -7.014 16.323 578 H ALA 75 H ALA 75 -0.110 -4.674 12.197 579 HA ALA 75 HA ALA 75 -1.275 -7.116 12.313 580 1HB ALA 75 1HB ALA 75 -3.058 -5.845 11.968 581 2HB ALA 75 2HB ALA 75 -2.037 -4.540 11.362 582 3HB ALA 75 3HB ALA 75 -2.656 -5.763 10.252 583 H LEU 76 H LEU 76 -0.060 -5.599 9.329 584 HA LEU 76 HA LEU 76 -0.721 -7.393 7.425 585 1HB LEU 76 1HB LEU 76 1.816 -5.871 7.869 586 2HB LEU 76 2HB LEU 76 1.657 -6.954 6.487 587 HG LEU 76 HG LEU 76 1.188 -4.450 6.150 588 1HD1 LEU 76 1HD1 LEU 76 -0.227 -6.812 5.144 589 2HD1 LEU 76 2HD1 LEU 76 0.589 -5.516 4.271 590 3HD1 LEU 76 3HD1 LEU 76 -1.054 -5.279 4.865 591 1HD2 LEU 76 1HD2 LEU 76 -1.300 -5.317 7.606 592 2HD2 LEU 76 2HD2 LEU 76 -1.230 -3.895 6.565 593 3HD2 LEU 76 3HD2 LEU 76 -0.216 -3.984 8.007 594 H GLY 77 H GLY 77 2.069 -7.722 9.612 595 1HA GLY 77 1HA GLY 77 3.047 -9.644 10.443 596 2HA GLY 77 2HA GLY 77 1.810 -10.582 9.619 597 H SER 78 H SER 78 2.784 -12.035 8.375 598 HA SER 78 HA SER 78 5.318 -11.413 7.093 599 1HB SER 78 1HB SER 78 3.689 -13.954 7.274 600 2HB SER 78 2HB SER 78 5.194 -13.828 6.364 601 HG SER 78 HG SER 78 5.031 -13.111 9.092 602 H LEU 79 H LEU 79 2.928 -10.028 6.204 603 HA LEU 79 HA LEU 79 1.965 -11.133 3.781 604 1HB LEU 79 1HB LEU 79 0.945 -9.280 5.210 605 2HB LEU 79 2HB LEU 79 2.087 -8.199 4.414 606 HG LEU 79 HG LEU 79 -0.149 -8.093 3.413 607 1HD1 LEU 79 1HD1 LEU 79 2.071 -7.869 2.117 608 2HD1 LEU 79 2HD1 LEU 79 0.568 -8.034 1.210 609 3HD1 LEU 79 3HD1 LEU 79 1.633 -9.425 1.412 610 1HD2 LEU 79 1HD2 LEU 79 -0.018 -10.913 3.666 611 2HD2 LEU 79 2HD2 LEU 79 -0.165 -10.529 1.950 612 3HD2 LEU 79 3HD2 LEU 79 -1.361 -9.922 3.097 613 HA PRO 80 HA PRO 80 5.582 -10.391 1.302 614 1HB PRO 80 1HB PRO 80 4.491 -11.200 -1.049 615 2HB PRO 80 2HB PRO 80 5.029 -12.330 0.200 616 1HG PRO 80 1HG PRO 80 2.265 -11.353 -0.406 617 2HG PRO 80 2HG PRO 80 2.812 -12.995 -0.019 618 1HD PRO 80 1HD PRO 80 1.637 -11.381 1.811 619 2HD PRO 80 2HD PRO 80 2.878 -12.575 2.246 620 H LYS 81 H LYS 81 6.274 -8.893 -0.233 621 HA LYS 81 HA LYS 81 5.034 -6.424 -0.314 622 1HB LYS 81 1HB LYS 81 7.071 -7.699 -2.126 623 2HB LYS 81 2HB LYS 81 6.513 -6.051 -2.387 624 1HG LYS 81 1HG LYS 81 7.495 -5.270 -0.446 625 2HG LYS 81 2HG LYS 81 7.561 -6.875 0.287 626 1HD LYS 81 1HD LYS 81 9.266 -7.527 -1.377 627 2HD LYS 81 2HD LYS 81 9.233 -5.885 -2.024 628 1HE LYS 81 1HE LYS 81 9.807 -5.112 0.327 629 2HE LYS 81 2HE LYS 81 10.148 -6.803 0.691 630 1HZ LYS 81 1HZ LYS 81 12.129 -6.599 -0.242 631 2HZ LYS 81 2HZ LYS 81 11.842 -4.950 -0.488 632 3HZ LYS 81 3HZ LYS 81 11.451 -6.066 -1.698 633 H GLU 82 H GLU 82 4.948 -9.006 -2.753 634 HA GLU 82 HA GLU 82 3.576 -7.833 -4.785 635 1HB GLU 82 1HB GLU 82 3.085 -10.602 -3.676 636 2HB GLU 82 2HB GLU 82 2.593 -10.048 -5.270 637 1HG GLU 82 1HG GLU 82 4.526 -11.116 -5.803 638 2HG GLU 82 2HG GLU 82 5.148 -9.493 -5.510 639 H ALA 83 H ALA 83 1.954 -9.593 -2.137 640 HA ALA 83 HA ALA 83 -0.639 -8.730 -2.786 641 1HB ALA 83 1HB ALA 83 -1.014 -10.369 -1.332 642 2HB ALA 83 2HB ALA 83 0.620 -10.251 -0.679 643 3HB ALA 83 3HB ALA 83 -0.659 -9.213 -0.048 644 H ALA 84 H ALA 84 1.790 -7.408 -0.584 645 HA ALA 84 HA ALA 84 0.341 -5.517 0.776 646 1HB ALA 84 1HB ALA 84 2.604 -4.139 0.439 647 2HB ALA 84 2HB ALA 84 2.481 -5.527 1.521 648 3HB ALA 84 3HB ALA 84 3.160 -5.726 -0.095 649 H ARG 85 H ARG 85 1.977 -5.034 -2.358 650 HA ARG 85 HA ARG 85 1.111 -2.415 -2.795 651 1HB ARG 85 1HB ARG 85 1.846 -4.609 -4.734 652 2HB ARG 85 2HB ARG 85 1.508 -2.957 -5.234 653 1HG ARG 85 1HG ARG 85 3.343 -2.210 -3.706 654 2HG ARG 85 2HG ARG 85 3.743 -3.912 -3.465 655 1HD ARG 85 1HD ARG 85 3.516 -2.843 -6.241 656 2HD ARG 85 2HD ARG 85 4.965 -2.493 -5.300 657 HE ARG 85 HE ARG 85 5.581 -4.711 -5.455 658 1HH1 ARG 85 2HH1 ARG 85 2.339 -4.278 -6.646 659 2HH1 ARG 85 1HH1 ARG 85 2.244 -5.862 -7.344 660 1HH2 ARG 85 2HH2 ARG 85 5.469 -6.798 -6.369 661 2HH2 ARG 85 1HH2 ARG 85 4.025 -7.294 -7.185 662 H GLN 86 H GLN 86 -0.417 -5.503 -3.548 663 HA GLN 86 HA GLN 86 -2.519 -4.526 -5.130 664 1HB GLN 86 1HB GLN 86 -2.091 -6.868 -5.136 665 2HB GLN 86 2HB GLN 86 -2.274 -6.976 -3.391 666 1HG GLN 86 1HG GLN 86 -4.254 -7.864 -4.153 667 2HG GLN 86 2HG GLN 86 -4.693 -6.187 -3.833 668 1HE2 GLN 86 1HE2 GLN 86 -5.001 -4.774 -5.578 669 2HE2 GLN 86 2HE2 GLN 86 -5.316 -5.362 -7.172 670 H ASN 87 H ASN 87 -2.245 -4.996 -1.634 671 HA ASN 87 HA ASN 87 -4.927 -4.280 -1.042 672 1HB ASN 87 1HB ASN 87 -2.415 -4.450 0.613 673 2HB ASN 87 2HB ASN 87 -3.940 -3.903 1.303 674 1HD2 ASN 87 1HD2 ASN 87 -2.094 -6.578 0.235 675 2HD2 ASN 87 2HD2 ASN 87 -3.231 -7.813 0.642 676 H TYR 88 H TYR 88 -1.881 -2.476 -1.084 677 HA TYR 88 HA TYR 88 -2.800 -0.065 -0.034 678 1HB TYR 88 1HB TYR 88 -0.414 -0.616 -0.443 679 2HB TYR 88 2HB TYR 88 -0.689 -0.431 -2.171 680 HD1 TYR 88 1HD TYR 88 0.422 1.190 0.727 681 HD2 TYR 88 2HD TYR 88 -1.759 1.900 -2.857 682 HE1 TYR 88 1HE TYR 88 0.908 3.594 0.914 683 HE2 TYR 88 2HE TYR 88 -1.277 4.305 -2.681 684 HH TYR 88 HH TYR 88 0.800 5.580 -0.113 685 H VAL 89 H VAL 89 -2.545 -1.046 -3.450 686 HA VAL 89 HA VAL 89 -3.706 1.285 -4.520 687 HB VAL 89 HB VAL 89 -4.066 -0.035 -6.569 688 1HG1 VAL 89 1HG1 VAL 89 -1.731 -0.562 -7.008 689 2HG1 VAL 89 2HG1 VAL 89 -1.866 0.940 -6.092 690 3HG1 VAL 89 3HG1 VAL 89 -1.389 -0.551 -5.279 691 1HG2 VAL 89 1HG2 VAL 89 -3.194 -2.351 -4.847 692 2HG2 VAL 89 2HG2 VAL 89 -4.761 -2.139 -5.627 693 3HG2 VAL 89 3HG2 VAL 89 -3.317 -2.402 -6.605 694 H ASP 90 H ASP 90 -5.115 -1.873 -3.710 695 HA ASP 90 HA ASP 90 -7.667 -1.609 -4.623 696 1HB ASP 90 1HB ASP 90 -6.497 -2.935 -2.221 697 2HB ASP 90 2HB ASP 90 -8.252 -2.823 -2.332 698 H LEU 91 H LEU 91 -6.243 -0.029 -1.834 699 HA LEU 91 HA LEU 91 -8.700 1.005 -0.810 700 1HB LEU 91 1HB LEU 91 -6.672 0.673 0.559 701 2HB LEU 91 2HB LEU 91 -5.879 1.963 -0.343 702 HG LEU 91 HG LEU 91 -6.704 2.633 1.910 703 1HD1 LEU 91 1HD1 LEU 91 -6.422 4.167 -0.117 704 2HD1 LEU 91 2HD1 LEU 91 -7.393 4.758 1.231 705 3HD1 LEU 91 3HD1 LEU 91 -8.183 4.140 -0.220 706 1HD2 LEU 91 1HD2 LEU 91 -9.116 3.005 2.189 707 2HD2 LEU 91 2HD2 LEU 91 -8.727 1.296 1.994 708 3HD2 LEU 91 3HD2 LEU 91 -9.409 2.205 0.644 709 H VAL 92 H VAL 92 -5.926 2.687 -2.304 710 HA VAL 92 HA VAL 92 -6.958 5.171 -2.650 711 HB VAL 92 HB VAL 92 -5.323 3.670 -4.701 712 1HG1 VAL 92 1HG1 VAL 92 -4.929 6.545 -4.493 713 2HG1 VAL 92 2HG1 VAL 92 -5.174 5.535 -5.919 714 3HG1 VAL 92 3HG1 VAL 92 -6.562 6.114 -4.997 715 1HG2 VAL 92 1HG2 VAL 92 -3.573 5.282 -3.461 716 2HG2 VAL 92 2HG2 VAL 92 -4.681 4.971 -2.125 717 3HG2 VAL 92 3HG2 VAL 92 -3.891 3.625 -2.947 718 H SER 93 H SER 93 -7.659 2.327 -4.609 719 HA SER 93 HA SER 93 -9.132 3.671 -6.621 720 1HB SER 93 1HB SER 93 -8.152 1.332 -6.763 721 2HB SER 93 2HB SER 93 -9.511 0.795 -5.776 722 HG SER 93 HG SER 93 -9.441 1.213 -8.402 723 H SER 94 H SER 94 -9.990 2.282 -3.514 724 HA SER 94 HA SER 94 -12.787 2.318 -3.814 725 1HB SER 94 1HB SER 94 -11.383 1.196 -1.975 726 2HB SER 94 2HB SER 94 -11.376 2.774 -1.189 727 HG SER 94 HG SER 94 -13.665 1.251 -1.899 728 H LEU 95 H LEU 95 -10.506 4.758 -2.663 729 HA LEU 95 HA LEU 95 -12.369 6.646 -1.760 730 1HB LEU 95 1HB LEU 95 -9.597 6.978 -2.886 731 2HB LEU 95 2HB LEU 95 -10.525 8.300 -2.182 732 HG LEU 95 HG LEU 95 -9.807 5.809 -0.651 733 1HD1 LEU 95 1HD1 LEU 95 -7.743 6.854 -1.367 734 2HD1 LEU 95 2HD1 LEU 95 -7.998 7.130 0.356 735 3HD1 LEU 95 3HD1 LEU 95 -8.314 8.424 -0.800 736 1HD2 LEU 95 1HD2 LEU 95 -11.685 7.150 0.198 737 2HD2 LEU 95 2HD2 LEU 95 -10.637 8.568 0.244 738 3HD2 LEU 95 3HD2 LEU 95 -10.296 7.185 1.285 739 H SER 96 H SER 96 -10.836 6.253 -4.939 740 HA SER 96 HA SER 96 -12.331 8.437 -6.079 741 1HB SER 96 1HB SER 96 -10.384 6.420 -7.168 742 2HB SER 96 2HB SER 96 -11.312 7.453 -8.254 743 HG SER 96 HG SER 96 -9.104 8.130 -7.298 744 HA PRO 97 HA PRO 97 -15.938 6.152 -7.172 745 1HB PRO 97 1HB PRO 97 -16.893 7.817 -9.092 746 2HB PRO 97 2HB PRO 97 -16.978 8.192 -7.367 747 1HG PRO 97 1HG PRO 97 -15.015 9.142 -9.418 748 2HG PRO 97 2HG PRO 97 -15.821 10.059 -8.131 749 1HD PRO 97 1HD PRO 97 -13.271 9.174 -7.912 750 2HD PRO 97 2HD PRO 97 -14.355 9.319 -6.514 751 H SER 98 H SER 98 -14.165 7.529 -9.949 752 HA SER 98 HA SER 98 -13.914 4.928 -11.165 753 1HB SER 98 1HB SER 98 -15.894 6.934 -12.145 754 2HB SER 98 2HB SER 98 -14.991 6.006 -13.343 755 HG SER 98 HG SER 98 -16.928 4.955 -12.758 756 H LEU 99 H LEU 99 -12.027 4.842 -12.189 757 HA LEU 99 HA LEU 99 -10.995 7.131 -13.631 758 1HB LEU 99 1HB LEU 99 -9.877 6.183 -11.051 759 2HB LEU 99 2HB LEU 99 -8.737 6.632 -12.317 760 HG LEU 99 HG LEU 99 -10.907 8.521 -11.480 761 1HD1 LEU 99 1HD1 LEU 99 -8.876 7.540 -9.764 762 2HD1 LEU 99 2HD1 LEU 99 -10.025 8.846 -9.476 763 3HD1 LEU 99 3HD1 LEU 99 -8.460 9.195 -10.210 764 1HD2 LEU 99 1HD2 LEU 99 -9.514 8.877 -13.541 765 2HD2 LEU 99 2HD2 LEU 99 -8.114 9.037 -12.480 766 3HD2 LEU 99 3HD2 LEU 99 -9.451 10.182 -12.355 767 H GLU 100 H GLU 100 -9.546 6.579 -15.223 768 HA GLU 100 HA GLU 100 -9.572 3.923 -16.153 769 1HB GLU 100 1HB GLU 100 -7.840 6.278 -16.910 770 2HB GLU 100 2HB GLU 100 -7.814 4.741 -17.763 771 1HG GLU 100 1HG GLU 100 -10.318 5.075 -18.094 772 2HG GLU 100 2HG GLU 100 -10.039 6.740 -17.587 773 H SER 101 H SER 101 -8.751 2.457 -14.717 774 HA SER 101 HA SER 101 -6.506 2.692 -13.124 775 1HB SER 101 1HB SER 101 -7.647 0.216 -14.437 776 2HB SER 101 2HB SER 101 -6.443 0.193 -13.149 777 HG SER 101 HG SER 101 -9.154 0.775 -13.044 778 H SER 102 H SER 102 -6.729 1.454 -16.442 779 HA SER 102 HA SER 102 -3.987 0.804 -16.692 780 1HB SER 102 1HB SER 102 -5.539 -0.205 -18.214 781 2HB SER 102 2HB SER 102 -6.125 1.368 -18.754 782 HG SER 102 HG SER 102 -3.792 0.004 -19.425 783 H SER 103 H SER 103 -2.319 1.893 -17.782 784 HA SER 103 HA SER 103 -2.704 4.809 -17.978 785 1HB SER 103 1HB SER 103 -0.479 3.166 -16.852 786 2HB SER 103 2HB SER 103 -0.075 4.700 -17.620 787 HG SER 103 HG SER 103 -1.590 5.694 -16.193 788 H GLN 104 H GLN 104 -0.794 2.091 -19.251 789 HA GLN 104 HA GLN 104 -0.549 3.571 -21.787 790 1HB GLN 104 1HB GLN 104 1.340 1.722 -20.371 791 2HB GLN 104 2HB GLN 104 1.430 1.904 -22.118 792 1HG GLN 104 1HG GLN 104 2.161 4.067 -21.998 793 2HG GLN 104 2HG GLN 104 1.410 4.350 -20.428 794 1HE2 GLN 104 1HE2 GLN 104 2.356 2.573 -18.781 795 2HE2 GLN 104 2HE2 GLN 104 4.080 2.605 -18.685 796 H VAL 105 H VAL 105 -0.866 2.457 -23.725 797 HA VAL 105 HA VAL 105 -2.609 0.139 -23.487 798 HB VAL 105 HB VAL 105 -1.868 1.789 -25.907 799 1HG1 VAL 105 1HG1 VAL 105 -4.288 0.357 -26.258 800 2HG1 VAL 105 2HG1 VAL 105 -2.779 0.199 -27.158 801 3HG1 VAL 105 3HG1 VAL 105 -3.058 -0.787 -25.722 802 1HG2 VAL 105 1HG2 VAL 105 -3.229 2.879 -24.064 803 2HG2 VAL 105 2HG2 VAL 105 -3.948 2.879 -25.674 804 3HG2 VAL 105 3HG2 VAL 105 -4.504 1.727 -24.460 805 H GLU 106 H GLU 106 -1.728 -1.818 -23.486 806 HA GLU 106 HA GLU 106 0.553 -2.325 -25.281 807 1HB GLU 106 1HB GLU 106 0.123 -3.074 -22.431 808 2HB GLU 106 2HB GLU 106 0.946 -4.234 -23.464 809 1HG GLU 106 1HG GLU 106 2.738 -2.802 -23.856 810 2HG GLU 106 2HG GLU 106 1.834 -1.380 -23.337 811 HA PRO 107 HA PRO 107 -1.719 -5.601 -27.111 812 1HB PRO 107 1HB PRO 107 0.226 -7.432 -27.594 813 2HB PRO 107 2HB PRO 107 0.077 -5.926 -28.507 814 1HG PRO 107 1HG PRO 107 1.899 -6.585 -26.224 815 2HG PRO 107 2HG PRO 107 2.257 -5.712 -27.726 816 1HD PRO 107 1HD PRO 107 1.809 -4.445 -25.375 817 2HD PRO 107 2HD PRO 107 1.360 -3.740 -26.941 818 H GLY 108 H GLY 108 0.482 -6.574 -24.504 819 1HA GLY 108 1HA GLY 108 -1.130 -7.733 -22.749 820 2HA GLY 108 2HA GLY 108 -1.100 -8.973 -23.994 821 H THR 109 H THR 109 0.337 -7.899 -21.192 822 HA THR 109 HA THR 109 2.826 -9.369 -21.767 823 HB THR 109 HB THR 109 3.902 -8.113 -19.991 824 HG1 THR 109 1HG THR 109 1.389 -6.792 -19.698 825 1HG2 THR 109 1HG2 THR 109 3.762 -7.147 -22.301 826 2HG2 THR 109 2HG2 THR 109 3.991 -5.953 -21.023 827 3HG2 THR 109 3HG2 THR 109 2.399 -6.175 -21.748 828 H ASP 110 H ASP 110 2.502 -11.411 -21.105 829 HA ASP 110 HA ASP 110 1.810 -11.820 -18.290 830 1HB ASP 110 1HB ASP 110 0.593 -13.483 -20.501 831 2HB ASP 110 2HB ASP 110 0.248 -13.586 -18.777 832 H SER 111 H SER 111 3.252 -13.088 -17.336 833 HA SER 111 HA SER 111 4.441 -15.324 -18.746 834 1HB SER 111 1HB SER 111 6.713 -14.647 -18.532 835 2HB SER 111 2HB SER 111 5.867 -13.271 -19.242 836 HG SER 111 HG SER 111 7.094 -12.463 -17.601 837 H GLY 112 H GLY 112 4.355 -16.974 -17.383 838 1HA GLY 112 1HA GLY 112 5.234 -17.955 -15.328 839 2HA GLY 112 2HA GLY 112 4.840 -16.446 -14.518 840 HA PRO 113 HA PRO 113 1.426 -19.360 -13.535 841 1HB PRO 113 1HB PRO 113 1.112 -18.466 -10.991 842 2HB PRO 113 2HB PRO 113 2.304 -19.693 -11.438 843 1HG PRO 113 1HG PRO 113 2.684 -16.757 -10.988 844 2HG PRO 113 2HG PRO 113 3.698 -18.112 -10.456 845 1HD PRO 113 1HD PRO 113 4.308 -16.595 -12.615 846 2HD PRO 113 2HD PRO 113 4.719 -18.319 -12.512 847 H SER 114 H SER 114 -0.178 -18.465 -14.773 848 HA SER 114 HA SER 114 -1.088 -15.837 -14.707 849 1HB SER 114 1HB SER 114 -2.355 -18.427 -15.551 850 2HB SER 114 2HB SER 114 -3.285 -16.930 -15.581 851 HG SER 114 HG SER 114 -2.006 -16.141 -17.135 852 H SER 115 H SER 115 -2.410 -18.687 -13.032 853 HA SER 115 HA SER 115 -4.276 -17.072 -11.538 854 1HB SER 115 1HB SER 115 -4.722 -19.446 -12.300 855 2HB SER 115 2HB SER 115 -3.581 -19.976 -11.064 856 HG SER 115 HG SER 115 -5.862 -18.376 -10.530 857 H GLY 116 H GLY 116 -1.479 -19.120 -10.695 858 1HA GLY 116 1HA GLY 116 -0.028 -17.585 -9.088 859 2HA GLY 116 2HA GLY 116 -1.396 -17.921 -8.037 Start of MODEL 8 1 1H GLY 1 H GLY 1 -27.697 3.432 -40.184 2 1HA GLY 1 1HA GLY 1 -25.640 2.027 -40.827 3 2HA GLY 1 2HA GLY 1 -25.155 3.489 -41.672 4 H SER 2 H SER 2 -25.963 2.200 -38.477 5 HA SER 2 HA SER 2 -23.941 3.976 -37.326 6 1HB SER 2 1HB SER 2 -26.198 5.042 -37.048 7 2HB SER 2 2HB SER 2 -26.684 3.642 -36.091 8 HG SER 2 HG SER 2 -24.565 5.440 -35.507 9 H SER 3 H SER 3 -23.654 3.366 -34.901 10 HA SER 3 HA SER 3 -24.186 0.600 -34.270 11 1HB SER 3 1HB SER 3 -22.132 0.609 -35.783 12 2HB SER 3 2HB SER 3 -21.293 1.438 -34.473 13 HG SER 3 HG SER 3 -22.661 -1.004 -34.079 14 H GLY 4 H GLY 4 -24.075 0.187 -32.098 15 1HA GLY 4 1HA GLY 4 -22.646 1.882 -30.279 16 2HA GLY 4 2HA GLY 4 -24.375 2.197 -30.262 17 H SER 5 H SER 5 -21.855 0.143 -29.207 18 HA SER 5 HA SER 5 -23.824 -1.506 -27.773 19 1HB SER 5 1HB SER 5 -22.513 -3.497 -28.127 20 2HB SER 5 2HB SER 5 -22.810 -2.757 -29.700 21 HG SER 5 HG SER 5 -20.725 -1.975 -29.707 22 H SER 6 H SER 6 -22.821 -2.649 -25.877 23 HA SER 6 HA SER 6 -21.167 -0.738 -24.427 24 1HB SER 6 1HB SER 6 -23.326 -1.825 -23.520 25 2HB SER 6 2HB SER 6 -22.335 -3.262 -23.271 26 HG SER 6 HG SER 6 -22.523 -1.691 -21.469 27 H GLY 7 H GLY 7 -21.200 -4.242 -25.084 28 1HA GLY 7 1HA GLY 7 -19.504 -5.788 -25.135 29 2HA GLY 7 2HA GLY 7 -18.492 -4.461 -25.686 30 H MET 8 H MET 8 -20.062 -5.361 -22.609 31 HA MET 8 HA MET 8 -18.047 -4.254 -20.989 32 1HB MET 8 1HB MET 8 -20.489 -5.056 -20.435 33 2HB MET 8 2HB MET 8 -19.689 -6.573 -20.049 34 1HG MET 8 1HG MET 8 -18.469 -5.622 -18.302 35 2HG MET 8 2HG MET 8 -18.771 -3.981 -18.867 36 1HE MET 8 1HE MET 8 -20.156 -2.583 -18.194 37 2HE MET 8 2HE MET 8 -21.868 -2.959 -18.388 38 3HE MET 8 3HE MET 8 -21.195 -2.718 -16.775 39 H ASN 9 H ASN 9 -15.995 -4.885 -20.948 40 HA ASN 9 HA ASN 9 -15.423 -7.775 -20.973 41 1HB ASN 9 1HB ASN 9 -14.464 -7.206 -22.977 42 2HB ASN 9 2HB ASN 9 -14.177 -5.539 -22.489 43 1HD2 ASN 9 1HD2 ASN 9 -12.102 -5.109 -22.503 44 2HD2 ASN 9 2HD2 ASN 9 -10.839 -6.151 -21.954 45 H ARG 10 H ARG 10 -14.447 -8.505 -19.208 46 HA ARG 10 HA ARG 10 -13.387 -6.593 -17.280 47 1HB ARG 10 1HB ARG 10 -14.258 -9.452 -17.163 48 2HB ARG 10 2HB ARG 10 -13.158 -8.842 -15.934 49 1HG ARG 10 1HG ARG 10 -15.399 -8.686 -15.115 50 2HG ARG 10 2HG ARG 10 -14.796 -7.056 -15.422 51 1HD ARG 10 1HD ARG 10 -15.935 -7.198 -17.673 52 2HD ARG 10 2HD ARG 10 -16.711 -8.670 -17.092 53 HE ARG 10 HE ARG 10 -17.444 -6.003 -16.459 54 1HH1 ARG 10 2HH1 ARG 10 -17.235 -9.207 -15.112 55 2HH1 ARG 10 1HH1 ARG 10 -18.501 -8.945 -13.958 56 1HH2 ARG 10 2HH2 ARG 10 -19.112 -5.646 -14.944 57 2HH2 ARG 10 1HH2 ARG 10 -19.568 -6.920 -13.864 58 H THR 11 H THR 11 -11.320 -6.848 -16.300 59 HA THR 11 HA THR 11 -9.407 -8.542 -17.736 60 HB THR 11 HB THR 11 -7.779 -6.720 -17.901 61 HG1 THR 11 1HG THR 11 -8.120 -4.991 -16.744 62 1HG2 THR 11 1HG2 THR 11 -8.602 -5.864 -19.857 63 2HG2 THR 11 2HG2 THR 11 -10.196 -5.544 -19.175 64 3HG2 THR 11 3HG2 THR 11 -9.742 -7.188 -19.623 65 H ALA 12 H ALA 12 -7.469 -8.987 -16.572 66 HA ALA 12 HA ALA 12 -7.791 -8.658 -13.668 67 1HB ALA 12 1HB ALA 12 -5.779 -10.539 -14.142 68 2HB ALA 12 2HB ALA 12 -7.433 -10.849 -13.615 69 3HB ALA 12 3HB ALA 12 -7.035 -10.880 -15.333 70 H MET 13 H MET 13 -6.882 -6.525 -13.690 71 HA MET 13 HA MET 13 -4.114 -6.232 -14.512 72 1HB MET 13 1HB MET 13 -6.190 -4.345 -13.430 73 2HB MET 13 2HB MET 13 -4.500 -3.871 -13.538 74 1HG MET 13 1HG MET 13 -4.613 -4.480 -15.982 75 2HG MET 13 2HG MET 13 -6.358 -4.611 -15.776 76 1HE MET 13 1HE MET 13 -6.891 -1.266 -17.343 77 2HE MET 13 2HE MET 13 -6.154 -2.756 -17.931 78 3HE MET 13 3HE MET 13 -7.587 -2.826 -16.903 79 H ARG 14 H ARG 14 -2.376 -6.098 -13.184 80 HA ARG 14 HA ARG 14 -2.876 -6.452 -10.300 81 1HB ARG 14 1HB ARG 14 -0.635 -7.552 -12.004 82 2HB ARG 14 2HB ARG 14 -0.685 -7.656 -10.250 83 1HG ARG 14 1HG ARG 14 -2.828 -8.911 -10.455 84 2HG ARG 14 2HG ARG 14 -2.585 -8.927 -12.203 85 1HD ARG 14 1HD ARG 14 -0.284 -9.948 -11.652 86 2HD ARG 14 2HD ARG 14 -0.973 -10.270 -10.061 87 HE ARG 14 HE ARG 14 -2.742 -11.234 -12.003 88 1HH1 ARG 14 2HH1 ARG 14 0.438 -11.892 -10.747 89 2HH1 ARG 14 1HH1 ARG 14 0.376 -13.584 -11.115 90 1HH2 ARG 14 2HH2 ARG 14 -2.836 -13.460 -12.492 91 2HH2 ARG 14 1HH2 ARG 14 -1.486 -14.475 -12.108 92 H ALA 15 H ALA 15 -1.510 -5.390 -8.839 93 HA ALA 15 HA ALA 15 -0.288 -2.971 -9.922 94 1HB ALA 15 1HB ALA 15 -0.071 -2.648 -7.265 95 2HB ALA 15 2HB ALA 15 -1.520 -2.229 -8.180 96 3HB ALA 15 3HB ALA 15 -1.433 -3.767 -7.322 97 H SER 16 H SER 16 1.825 -2.841 -10.247 98 HA SER 16 HA SER 16 3.610 -4.526 -8.617 99 1HB SER 16 1HB SER 16 3.556 -4.057 -11.570 100 2HB SER 16 2HB SER 16 5.112 -4.316 -10.782 101 HG SER 16 HG SER 16 4.525 -6.329 -10.240 102 H GLN 17 H GLN 17 3.944 -1.840 -10.941 103 HA GLN 17 HA GLN 17 5.367 -0.323 -8.864 104 1HB GLN 17 1HB GLN 17 6.995 -1.360 -10.421 105 2HB GLN 17 2HB GLN 17 6.215 -0.526 -11.759 106 1HG GLN 17 1HG GLN 17 8.232 0.626 -11.075 107 2HG GLN 17 2HG GLN 17 6.809 1.623 -10.779 108 1HE2 GLN 17 1HE2 GLN 17 6.013 1.752 -8.597 109 2HE2 GLN 17 2HE2 GLN 17 7.108 1.574 -7.273 110 H LYS 18 H LYS 18 3.817 -0.159 -12.057 111 HA LYS 18 HA LYS 18 3.460 2.646 -12.056 112 1HB LYS 18 1HB LYS 18 3.360 1.110 -14.061 113 2HB LYS 18 2HB LYS 18 1.759 0.625 -13.518 114 1HG LYS 18 1HG LYS 18 1.359 2.257 -15.130 115 2HG LYS 18 2HG LYS 18 1.171 3.108 -13.595 116 1HD LYS 18 1HD LYS 18 3.613 3.780 -13.849 117 2HD LYS 18 2HD LYS 18 3.487 3.204 -15.513 118 1HE LYS 18 1HE LYS 18 1.599 5.233 -14.342 119 2HE LYS 18 2HE LYS 18 3.106 5.683 -15.138 120 1HZ LYS 18 1HZ LYS 18 1.251 5.780 -16.670 121 2HZ LYS 18 2HZ LYS 18 0.879 4.157 -16.375 122 3HZ LYS 18 3HZ LYS 18 2.331 4.565 -17.141 123 H ASP 19 H ASP 19 0.894 0.181 -11.831 124 HA ASP 19 HA ASP 19 -1.215 1.640 -11.057 125 1HB ASP 19 1HB ASP 19 -0.839 -0.975 -11.165 126 2HB ASP 19 2HB ASP 19 -0.692 -0.803 -9.418 127 H PHE 20 H PHE 20 1.231 0.425 -8.771 128 HA PHE 20 HA PHE 20 0.180 1.570 -6.460 129 1HB PHE 20 1HB PHE 20 2.044 -0.116 -6.582 130 2HB PHE 20 2HB PHE 20 3.121 1.196 -7.050 131 HD1 PHE 20 1HD PHE 20 3.913 2.781 -5.452 132 HD2 PHE 20 2HD PHE 20 1.086 -0.197 -4.329 133 HE1 PHE 20 1HE PHE 20 4.318 3.295 -3.080 134 HE2 PHE 20 2HE PHE 20 1.486 0.314 -1.956 135 HZ PHE 20 HZ PHE 20 3.103 2.062 -1.329 136 H GLU 21 H GLU 21 2.911 2.825 -8.388 137 HA GLU 21 HA GLU 21 3.287 5.232 -7.159 138 1HB GLU 21 1HB GLU 21 3.610 4.313 -9.977 139 2HB GLU 21 2HB GLU 21 3.764 6.033 -9.646 140 1HG GLU 21 1HG GLU 21 5.407 5.265 -7.791 141 2HG GLU 21 2HG GLU 21 5.474 3.770 -8.723 142 H ASN 22 H ASN 22 0.755 4.374 -9.440 143 HA ASN 22 HA ASN 22 -0.238 7.036 -9.750 144 1HB ASN 22 1HB ASN 22 -1.398 4.323 -10.394 145 2HB ASN 22 2HB ASN 22 -2.255 5.827 -10.719 146 1HD2 ASN 22 1HD2 ASN 22 -1.326 3.811 -12.579 147 2HD2 ASN 22 2HD2 ASN 22 -0.255 4.613 -13.673 148 H SER 23 H SER 23 -1.210 4.227 -7.816 149 HA SER 23 HA SER 23 -3.510 5.352 -6.673 150 1HB SER 23 1HB SER 23 -1.638 3.269 -5.522 151 2HB SER 23 2HB SER 23 -3.265 3.611 -4.935 152 HG SER 23 HG SER 23 -2.980 3.050 -7.647 153 H MET 24 H MET 24 -0.262 5.009 -5.231 154 HA MET 24 HA MET 24 -0.679 6.407 -2.899 155 1HB MET 24 1HB MET 24 1.765 6.922 -2.965 156 2HB MET 24 2HB MET 24 1.383 5.230 -3.253 157 1HG MET 24 1HG MET 24 2.064 5.295 -5.419 158 2HG MET 24 2HG MET 24 1.650 6.997 -5.614 159 1HE MET 24 1HE MET 24 3.122 8.237 -6.393 160 2HE MET 24 2HE MET 24 4.668 8.715 -5.692 161 3HE MET 24 3HE MET 24 4.599 7.390 -6.854 162 H ASN 25 H ASN 25 -0.050 7.661 -6.124 163 HA ASN 25 HA ASN 25 0.420 10.344 -5.406 164 1HB ASN 25 1HB ASN 25 0.927 9.335 -7.639 165 2HB ASN 25 2HB ASN 25 -0.801 9.331 -7.982 166 1HD2 ASN 25 1HD2 ASN 25 -0.093 10.641 -9.818 167 2HD2 ASN 25 2HD2 ASN 25 0.077 12.347 -9.600 168 H GLN 26 H GLN 26 -2.551 8.683 -6.435 169 HA GLN 26 HA GLN 26 -4.301 10.810 -6.451 170 1HB GLN 26 1HB GLN 26 -4.786 7.956 -5.589 171 2HB GLN 26 2HB GLN 26 -6.068 9.127 -5.864 172 1HG GLN 26 1HG GLN 26 -5.364 9.352 -8.193 173 2HG GLN 26 2HG GLN 26 -4.084 8.172 -7.916 174 1HE2 GLN 26 1HE2 GLN 26 -7.591 8.569 -7.650 175 2HE2 GLN 26 2HE2 GLN 26 -7.984 6.947 -8.097 176 H VAL 27 H VAL 27 -3.199 8.893 -3.694 177 HA VAL 27 HA VAL 27 -4.911 10.008 -1.760 178 HB VAL 27 HB VAL 27 -2.143 8.851 -1.405 179 1HG1 VAL 27 1HG1 VAL 27 -3.704 8.474 0.899 180 2HG1 VAL 27 2HG1 VAL 27 -2.276 9.495 0.717 181 3HG1 VAL 27 3HG1 VAL 27 -3.885 10.169 0.451 182 1HG2 VAL 27 1HG2 VAL 27 -3.226 6.998 -2.087 183 2HG2 VAL 27 2HG2 VAL 27 -3.866 7.000 -0.444 184 3HG2 VAL 27 3HG2 VAL 27 -4.819 7.682 -1.762 185 H LYS 28 H LYS 28 -1.972 11.158 -3.216 186 HA LYS 28 HA LYS 28 -1.583 13.235 -1.226 187 1HB LYS 28 1HB LYS 28 -0.146 12.743 -3.841 188 2HB LYS 28 2HB LYS 28 0.342 13.892 -2.601 189 1HG LYS 28 1HG LYS 28 0.961 12.198 -1.113 190 2HG LYS 28 2HG LYS 28 0.077 10.964 -2.013 191 1HD LYS 28 1HD LYS 28 1.659 11.209 -3.876 192 2HD LYS 28 2HD LYS 28 2.550 12.420 -2.951 193 1HE LYS 28 1HE LYS 28 3.691 10.334 -2.722 194 2HE LYS 28 2HE LYS 28 2.909 10.695 -1.184 195 1HZ LYS 28 1HZ LYS 28 2.580 8.396 -1.756 196 2HZ LYS 28 2HZ LYS 28 1.922 8.812 -3.257 197 3HZ LYS 28 3HZ LYS 28 1.094 9.201 -1.834 198 H LEU 29 H LEU 29 -3.366 12.802 -4.073 199 HA LEU 29 HA LEU 29 -3.322 15.510 -5.002 200 1HB LEU 29 1HB LEU 29 -4.804 13.031 -5.667 201 2HB LEU 29 2HB LEU 29 -5.548 14.562 -6.121 202 HG LEU 29 HG LEU 29 -3.737 15.108 -7.565 203 1HD1 LEU 29 1HD1 LEU 29 -2.273 12.586 -6.934 204 2HD1 LEU 29 2HD1 LEU 29 -2.058 14.001 -5.904 205 3HD1 LEU 29 3HD1 LEU 29 -1.674 14.095 -7.622 206 1HD2 LEU 29 1HD2 LEU 29 -4.077 12.185 -8.097 207 2HD2 LEU 29 2HD2 LEU 29 -4.052 13.536 -9.231 208 3HD2 LEU 29 3HD2 LEU 29 -5.461 13.274 -8.201 209 H LEU 30 H LEU 30 -5.554 13.558 -3.064 210 HA LEU 30 HA LEU 30 -7.575 15.489 -2.789 211 1HB LEU 30 1HB LEU 30 -8.376 14.167 -0.942 212 2HB LEU 30 2HB LEU 30 -7.861 13.112 -2.256 213 HG LEU 30 HG LEU 30 -5.635 12.991 -0.869 214 1HD1 LEU 30 1HD1 LEU 30 -7.000 12.944 1.601 215 2HD1 LEU 30 2HD1 LEU 30 -7.326 14.507 0.852 216 3HD1 LEU 30 3HD1 LEU 30 -5.662 13.984 1.110 217 1HD2 LEU 30 1HD2 LEU 30 -7.751 11.329 -1.272 218 2HD2 LEU 30 2HD2 LEU 30 -7.712 11.430 0.489 219 3HD2 LEU 30 3HD2 LEU 30 -6.282 10.896 -0.396 220 H LYS 31 H LYS 31 -7.638 17.337 -1.704 221 HA LYS 31 HA LYS 31 -5.481 17.945 0.176 222 1HB LYS 31 1HB LYS 31 -7.498 19.681 -1.248 223 2HB LYS 31 2HB LYS 31 -6.412 20.296 -0.008 224 1HG LYS 31 1HG LYS 31 -4.589 19.173 -1.558 225 2HG LYS 31 2HG LYS 31 -5.832 19.430 -2.784 226 1HD LYS 31 1HD LYS 31 -5.897 21.792 -2.281 227 2HD LYS 31 2HD LYS 31 -4.765 21.571 -0.944 228 1HE LYS 31 1HE LYS 31 -3.440 22.375 -2.694 229 2HE LYS 31 2HE LYS 31 -3.160 20.635 -2.703 230 1HZ LYS 31 1HZ LYS 31 -5.252 21.806 -4.415 231 2HZ LYS 31 2HZ LYS 31 -4.399 20.360 -4.613 232 3HZ LYS 31 3HZ LYS 31 -3.635 21.839 -4.911 233 H LYS 32 H LYS 32 -8.220 16.423 0.519 234 HA LYS 32 HA LYS 32 -9.288 17.955 2.768 235 1HB LYS 32 1HB LYS 32 -11.198 16.554 2.671 236 2HB LYS 32 2HB LYS 32 -10.780 16.916 1.001 237 1HG LYS 32 1HG LYS 32 -10.041 14.771 0.580 238 2HG LYS 32 2HG LYS 32 -9.747 14.427 2.286 239 1HD LYS 32 1HD LYS 32 -11.670 13.217 1.907 240 2HD LYS 32 2HD LYS 32 -12.335 14.744 2.492 241 1HE LYS 32 1HE LYS 32 -12.915 15.440 0.315 242 2HE LYS 32 2HE LYS 32 -11.923 14.189 -0.433 243 1HZ LYS 32 1HZ LYS 32 -14.595 14.000 0.719 244 2HZ LYS 32 2HZ LYS 32 -13.576 12.669 0.942 245 3HZ LYS 32 3HZ LYS 32 -13.936 13.206 -0.622 246 H ASP 33 H ASP 33 -10.099 16.376 4.613 247 HA ASP 33 HA ASP 33 -7.851 14.609 5.327 248 1HB ASP 33 1HB ASP 33 -8.016 15.340 7.631 249 2HB ASP 33 2HB ASP 33 -7.798 16.747 6.593 250 HA PRO 34 HA PRO 34 -11.477 11.893 5.460 251 1HB PRO 34 1HB PRO 34 -10.028 9.605 5.258 252 2HB PRO 34 2HB PRO 34 -10.458 10.597 3.859 253 1HG PRO 34 1HG PRO 34 -7.888 10.494 5.391 254 2HG PRO 34 2HG PRO 34 -8.143 10.564 3.637 255 1HD PRO 34 1HD PRO 34 -7.484 12.744 5.101 256 2HD PRO 34 2HD PRO 34 -8.508 12.840 3.654 257 H GLY 35 H GLY 35 -8.409 11.184 7.149 258 1HA GLY 35 1HA GLY 35 -9.007 11.419 9.718 259 2HA GLY 35 2HA GLY 35 -9.897 9.952 9.338 260 H ASN 36 H ASN 36 -7.492 10.560 11.070 261 HA ASN 36 HA ASN 36 -5.139 9.548 10.059 262 1HB ASN 36 1HB ASN 36 -6.361 9.642 12.774 263 2HB ASN 36 2HB ASN 36 -4.950 8.612 12.552 264 1HD2 ASN 36 1HD2 ASN 36 -2.994 9.581 11.813 265 2HD2 ASN 36 2HD2 ASN 36 -2.683 11.253 12.114 266 H GLU 37 H GLU 37 -8.085 7.911 10.540 267 HA GLU 37 HA GLU 37 -7.233 5.301 11.072 268 1HB GLU 37 1HB GLU 37 -9.559 5.840 11.251 269 2HB GLU 37 2HB GLU 37 -9.633 6.339 9.567 270 1HG GLU 37 1HG GLU 37 -10.603 4.272 9.462 271 2HG GLU 37 2HG GLU 37 -8.925 3.877 9.096 272 H VAL 38 H VAL 38 -7.972 6.816 7.931 273 HA VAL 38 HA VAL 38 -7.034 4.586 6.419 274 HB VAL 38 HB VAL 38 -8.673 6.009 5.410 275 1HG1 VAL 38 1HG1 VAL 38 -6.675 8.231 5.797 276 2HG1 VAL 38 2HG1 VAL 38 -8.133 8.367 4.812 277 3HG1 VAL 38 3HG1 VAL 38 -8.264 8.077 6.547 278 1HG2 VAL 38 1HG2 VAL 38 -6.898 4.990 3.965 279 2HG2 VAL 38 2HG2 VAL 38 -7.689 6.406 3.272 280 3HG2 VAL 38 3HG2 VAL 38 -6.079 6.552 3.977 281 H LYS 39 H LYS 39 -5.661 7.724 7.311 282 HA LYS 39 HA LYS 39 -3.373 7.774 5.804 283 1HB LYS 39 1HB LYS 39 -3.991 8.730 8.574 284 2HB LYS 39 2HB LYS 39 -2.350 8.867 7.956 285 1HG LYS 39 1HG LYS 39 -3.143 10.894 7.326 286 2HG LYS 39 2HG LYS 39 -3.611 9.963 5.901 287 1HD LYS 39 1HD LYS 39 -5.833 10.003 6.436 288 2HD LYS 39 2HD LYS 39 -5.525 10.087 8.172 289 1HE LYS 39 1HE LYS 39 -5.057 12.344 6.227 290 2HE LYS 39 2HE LYS 39 -6.492 12.170 7.236 291 1HZ LYS 39 1HZ LYS 39 -4.121 11.976 8.789 292 2HZ LYS 39 2HZ LYS 39 -5.422 13.045 8.952 293 3HZ LYS 39 3HZ LYS 39 -4.141 13.425 7.915 294 H LEU 40 H LEU 40 -4.146 5.663 8.436 295 HA LEU 40 HA LEU 40 -1.407 4.774 8.788 296 1HB LEU 40 1HB LEU 40 -4.011 3.854 9.991 297 2HB LEU 40 2HB LEU 40 -2.443 3.149 10.380 298 HG LEU 40 HG LEU 40 -3.009 6.069 10.803 299 1HD1 LEU 40 1HD1 LEU 40 -4.053 3.782 12.288 300 2HD1 LEU 40 2HD1 LEU 40 -4.540 5.476 12.319 301 3HD1 LEU 40 3HD1 LEU 40 -3.167 4.936 13.285 302 1HD2 LEU 40 1HD2 LEU 40 -1.075 6.097 12.026 303 2HD2 LEU 40 2HD2 LEU 40 -0.668 4.868 10.829 304 3HD2 LEU 40 3HD2 LEU 40 -1.183 4.388 12.447 305 H LYS 41 H LYS 41 -4.474 3.402 7.625 306 HA LYS 41 HA LYS 41 -3.556 0.869 6.939 307 1HB LYS 41 1HB LYS 41 -5.577 0.572 5.903 308 2HB LYS 41 2HB LYS 41 -5.958 1.986 6.877 309 1HG LYS 41 1HG LYS 41 -5.651 3.438 4.988 310 2HG LYS 41 2HG LYS 41 -5.087 2.090 3.997 311 1HD LYS 41 1HD LYS 41 -7.538 2.877 3.757 312 2HD LYS 41 2HD LYS 41 -7.205 1.146 3.851 313 1HE LYS 41 1HE LYS 41 -7.711 1.208 6.262 314 2HE LYS 41 2HE LYS 41 -8.101 2.922 6.121 315 1HZ LYS 41 1HZ LYS 41 -9.774 0.731 5.669 316 2HZ LYS 41 2HZ LYS 41 -9.558 1.514 4.186 317 3HZ LYS 41 3HZ LYS 41 -10.144 2.375 5.519 318 H LEU 42 H LEU 42 -3.302 3.914 5.218 319 HA LEU 42 HA LEU 42 -2.389 2.765 2.764 320 1HB LEU 42 1HB LEU 42 -2.696 5.485 3.887 321 2HB LEU 42 2HB LEU 42 -1.517 5.290 2.592 322 HG LEU 42 HG LEU 42 -3.545 6.010 1.595 323 1HD1 LEU 42 1HD1 LEU 42 -2.244 3.971 0.645 324 2HD1 LEU 42 2HD1 LEU 42 -3.812 4.403 -0.037 325 3HD1 LEU 42 3HD1 LEU 42 -3.687 3.067 1.107 326 1HD2 LEU 42 1HD2 LEU 42 -5.145 3.703 2.541 327 2HD2 LEU 42 2HD2 LEU 42 -5.644 5.349 2.154 328 3HD2 LEU 42 3HD2 LEU 42 -4.846 5.007 3.690 329 H TYR 43 H TYR 43 -0.889 3.822 5.720 330 HA TYR 43 HA TYR 43 1.781 3.822 4.610 331 1HB TYR 43 1HB TYR 43 1.780 5.334 6.317 332 2HB TYR 43 2HB TYR 43 0.543 4.471 7.225 333 HD1 TYR 43 1HD TYR 43 4.128 4.830 6.615 334 HD2 TYR 43 2HD TYR 43 1.153 2.666 8.752 335 HE1 TYR 43 1HE TYR 43 5.862 3.938 8.113 336 HE2 TYR 43 2HE TYR 43 2.879 1.768 10.256 337 HH TYR 43 HH TYR 43 6.014 1.702 9.625 338 H ALA 44 H ALA 44 -0.287 1.666 6.428 339 HA ALA 44 HA ALA 44 1.590 -0.158 7.379 340 1HB ALA 44 1HB ALA 44 -1.303 -0.264 6.742 341 2HB ALA 44 2HB ALA 44 -0.458 -1.798 6.954 342 3HB ALA 44 3HB ALA 44 -0.460 -0.605 8.253 343 H LEU 45 H LEU 45 -0.122 -0.101 4.266 344 HA LEU 45 HA LEU 45 1.115 -2.466 3.277 345 1HB LEU 45 1HB LEU 45 -0.484 -0.253 2.053 346 2HB LEU 45 2HB LEU 45 0.306 -1.453 1.031 347 HG LEU 45 HG LEU 45 -1.870 -2.245 1.240 348 1HD1 LEU 45 1HD1 LEU 45 -1.683 -4.299 2.372 349 2HD1 LEU 45 2HD1 LEU 45 -0.541 -3.642 3.544 350 3HD1 LEU 45 3HD1 LEU 45 -0.043 -3.886 1.870 351 1HD2 LEU 45 1HD2 LEU 45 -3.037 -2.400 3.439 352 2HD2 LEU 45 2HD2 LEU 45 -2.719 -0.751 2.902 353 3HD2 LEU 45 3HD2 LEU 45 -1.710 -1.482 4.151 354 H TYR 46 H TYR 46 1.707 0.997 2.790 355 HA TYR 46 HA TYR 46 3.641 0.964 0.862 356 1HB TYR 46 1HB TYR 46 2.943 3.076 1.642 357 2HB TYR 46 2HB TYR 46 3.341 2.688 3.312 358 HD1 TYR 46 1HD TYR 46 5.047 2.967 -0.006 359 HD2 TYR 46 2HD TYR 46 5.252 3.629 4.192 360 HE1 TYR 46 1HE TYR 46 7.244 4.038 -0.288 361 HE2 TYR 46 2HE TYR 46 7.448 4.703 3.921 362 HH TYR 46 HH TYR 46 8.641 5.740 0.998 363 H LYS 47 H LYS 47 4.280 0.768 4.366 364 HA LYS 47 HA LYS 47 7.036 0.198 4.069 365 1HB LYS 47 1HB LYS 47 5.230 -0.419 6.415 366 2HB LYS 47 2HB LYS 47 6.987 -0.350 6.449 367 1HG LYS 47 1HG LYS 47 5.382 2.030 5.609 368 2HG LYS 47 2HG LYS 47 5.642 1.665 7.316 369 1HD LYS 47 1HD LYS 47 7.989 1.698 5.478 370 2HD LYS 47 2HD LYS 47 7.291 3.235 5.995 371 1HE LYS 47 1HE LYS 47 7.482 2.372 8.364 372 2HE LYS 47 2HE LYS 47 8.448 1.050 7.712 373 1HZ LYS 47 1HZ LYS 47 9.109 3.890 7.958 374 2HZ LYS 47 2HZ LYS 47 9.757 3.040 6.648 375 3HZ LYS 47 3HZ LYS 47 10.078 2.530 8.228 376 H GLN 48 H GLN 48 4.229 -1.731 3.763 377 HA GLN 48 HA GLN 48 5.575 -4.237 4.305 378 1HB GLN 48 1HB GLN 48 3.111 -3.748 4.770 379 2HB GLN 48 2HB GLN 48 2.864 -3.895 3.036 380 1HG GLN 48 1HG GLN 48 2.363 -6.012 3.718 381 2HG GLN 48 2HG GLN 48 4.080 -6.185 3.357 382 1HE2 GLN 48 1HE2 GLN 48 3.877 -8.050 4.787 383 2HE2 GLN 48 2HE2 GLN 48 4.029 -7.814 6.491 384 H ALA 49 H ALA 49 4.867 -2.213 1.592 385 HA ALA 49 HA ALA 49 5.597 -4.331 -0.297 386 1HB ALA 49 1HB ALA 49 3.947 -3.399 -1.466 387 2HB ALA 49 2HB ALA 49 3.913 -1.975 -0.426 388 3HB ALA 49 3HB ALA 49 5.049 -2.056 -1.773 389 H THR 50 H THR 50 7.297 -2.447 1.578 390 HA THR 50 HA THR 50 9.343 -1.919 -0.470 391 HB THR 50 HB THR 50 10.040 0.103 0.789 392 HG1 THR 50 1HG THR 50 7.642 -0.420 2.240 393 1HG2 THR 50 1HG2 THR 50 7.201 0.062 -0.237 394 2HG2 THR 50 2HG2 THR 50 8.663 0.422 -1.156 395 3HG2 THR 50 3HG2 THR 50 8.114 1.533 0.099 396 H GLU 51 H GLU 51 8.694 -2.341 2.996 397 HA GLU 51 HA GLU 51 11.443 -3.319 3.345 398 1HB GLU 51 1HB GLU 51 9.482 -2.651 5.536 399 2HB GLU 51 2HB GLU 51 11.222 -2.858 5.673 400 1HG GLU 51 1HG GLU 51 11.525 -0.840 4.272 401 2HG GLU 51 2HG GLU 51 9.777 -0.611 4.290 402 H GLY 52 H GLY 52 8.065 -4.193 3.693 403 1HA GLY 52 1HA GLY 52 7.456 -6.515 3.326 404 2HA GLY 52 2HA GLY 52 8.924 -6.975 4.176 405 HA PRO 53 HA PRO 53 5.725 -7.559 7.331 406 1HB PRO 53 1HB PRO 53 7.188 -9.323 8.785 407 2HB PRO 53 2HB PRO 53 6.264 -9.792 7.353 408 1HG PRO 53 1HG PRO 53 9.190 -9.216 7.616 409 2HG PRO 53 2HG PRO 53 8.382 -10.520 6.726 410 1HD PRO 53 1HD PRO 53 9.322 -8.292 5.509 411 2HD PRO 53 2HD PRO 53 7.884 -9.160 4.934 412 H CYS 54 H CYS 54 5.482 -6.524 9.240 413 HA CYS 54 HA CYS 54 7.030 -4.476 10.088 414 1HB CYS 54 1HB CYS 54 4.978 -4.592 11.160 415 2HB CYS 54 2HB CYS 54 5.165 -6.296 11.556 416 HG CYS 54 HG CYS 54 6.943 -5.889 13.641 417 H ASN 55 H ASN 55 9.181 -4.559 10.323 418 HA ASN 55 HA ASN 55 10.284 -6.616 12.123 419 1HB ASN 55 1HB ASN 55 12.473 -5.875 10.772 420 2HB ASN 55 2HB ASN 55 11.405 -7.155 10.206 421 1HD2 ASN 55 1HD2 ASN 55 11.917 -3.662 9.982 422 2HD2 ASN 55 2HD2 ASN 55 11.403 -3.517 8.339 423 H MET 56 H MET 56 9.231 -3.785 12.545 424 HA MET 56 HA MET 56 11.648 -2.480 13.552 425 1HB MET 56 1HB MET 56 10.019 -0.578 14.022 426 2HB MET 56 2HB MET 56 10.310 -0.967 12.332 427 1HG MET 56 1HG MET 56 8.224 -2.126 12.173 428 2HG MET 56 2HG MET 56 7.955 -1.972 13.908 429 1HE MET 56 1HE MET 56 8.391 0.495 14.942 430 2HE MET 56 2HE MET 56 9.232 1.439 13.712 431 3HE MET 56 3HE MET 56 7.624 1.926 14.252 432 HA PRO 57 HA PRO 57 10.926 -3.545 17.750 433 1HB PRO 57 1HB PRO 57 11.891 -1.344 19.013 434 2HB PRO 57 2HB PRO 57 12.934 -2.533 18.223 435 1HG PRO 57 1HG PRO 57 11.983 0.121 17.214 436 2HG PRO 57 2HG PRO 57 13.598 -0.605 17.105 437 1HD PRO 57 1HD PRO 57 11.852 -0.617 15.035 438 2HD PRO 57 2HD PRO 57 13.020 -1.926 15.307 439 H LYS 58 H LYS 58 9.331 -3.405 19.239 440 HA LYS 58 HA LYS 58 7.082 -1.755 18.734 441 1HB LYS 58 1HB LYS 58 7.040 -4.033 19.807 442 2HB LYS 58 2HB LYS 58 7.677 -3.288 21.268 443 1HG LYS 58 1HG LYS 58 5.716 -2.193 21.732 444 2HG LYS 58 2HG LYS 58 5.197 -2.181 20.045 445 1HD LYS 58 1HD LYS 58 4.629 -4.495 20.124 446 2HD LYS 58 2HD LYS 58 5.395 -4.690 21.703 447 1HE LYS 58 1HE LYS 58 3.076 -2.831 21.249 448 2HE LYS 58 2HE LYS 58 2.857 -4.529 21.665 449 1HZ LYS 58 1HZ LYS 58 2.825 -2.955 23.582 450 2HZ LYS 58 2HZ LYS 58 4.464 -2.649 23.300 451 3HZ LYS 58 3HZ LYS 58 3.955 -4.206 23.722 452 HA PRO 59 HA PRO 59 8.637 1.849 20.863 453 1HB PRO 59 1HB PRO 59 6.453 3.392 20.392 454 2HB PRO 59 2HB PRO 59 7.689 3.076 19.167 455 1HG PRO 59 1HG PRO 59 5.018 1.777 19.544 456 2HG PRO 59 2HG PRO 59 5.801 2.312 18.045 457 1HD PRO 59 1HD PRO 59 5.782 -0.278 18.833 458 2HD PRO 59 2HD PRO 59 7.127 0.431 17.917 459 H GLY 60 H GLY 60 7.452 3.483 22.425 460 1HA GLY 60 1HA GLY 60 6.318 1.828 24.547 461 2HA GLY 60 2HA GLY 60 6.931 3.466 24.721 462 H VAL 61 H VAL 61 4.466 2.486 25.766 463 HA VAL 61 HA VAL 61 2.226 3.094 24.213 464 HB VAL 61 HB VAL 61 1.107 3.555 26.463 465 1HG1 VAL 61 1HG1 VAL 61 0.630 1.437 25.857 466 2HG1 VAL 61 2HG1 VAL 61 2.311 1.053 25.480 467 3HG1 VAL 61 3HG1 VAL 61 1.753 1.028 27.153 468 1HG2 VAL 61 1HG2 VAL 61 2.458 3.996 28.176 469 2HG2 VAL 61 2HG2 VAL 61 2.936 2.299 28.147 470 3HG2 VAL 61 3HG2 VAL 61 3.882 3.497 27.263 471 H PHE 62 H PHE 62 4.136 5.157 26.376 472 HA PHE 62 HA PHE 62 2.646 7.455 26.378 473 1HB PHE 62 1HB PHE 62 5.598 6.954 26.443 474 2HB PHE 62 2HB PHE 62 5.007 8.610 26.352 475 HD1 PHE 62 1HD PHE 62 4.205 5.507 28.271 476 HD2 PHE 62 2HD PHE 62 4.858 9.712 28.349 477 HE1 PHE 62 1HE PHE 62 3.863 5.511 30.708 478 HE2 PHE 62 2HE PHE 62 4.518 9.723 30.785 479 HZ PHE 62 HZ PHE 62 4.021 7.621 31.968 480 H ASP 63 H ASP 63 4.524 6.115 23.770 481 HA ASP 63 HA ASP 63 4.145 8.515 22.143 482 1HB ASP 63 1HB ASP 63 5.830 6.045 21.866 483 2HB ASP 63 2HB ASP 63 5.492 7.051 20.460 484 H LEU 64 H LEU 64 1.914 8.406 21.782 485 HA LEU 64 HA LEU 64 0.670 6.064 20.705 486 1HB LEU 64 1HB LEU 64 -0.432 8.851 20.556 487 2HB LEU 64 2HB LEU 64 -1.313 7.326 20.618 488 HG LEU 64 HG LEU 64 0.269 8.496 22.906 489 1HD1 LEU 64 1HD1 LEU 64 -2.033 8.842 23.877 490 2HD1 LEU 64 2HD1 LEU 64 -2.666 8.573 22.253 491 3HD1 LEU 64 3HD1 LEU 64 -1.580 9.928 22.562 492 1HD2 LEU 64 1HD2 LEU 64 -0.119 6.610 24.033 493 2HD2 LEU 64 2HD2 LEU 64 -0.486 5.885 22.467 494 3HD2 LEU 64 3HD2 LEU 64 -1.789 6.519 23.473 495 H ILE 65 H ILE 65 2.599 8.495 19.389 496 HA ILE 65 HA ILE 65 1.429 8.702 16.803 497 HB ILE 65 HB ILE 65 4.275 9.236 17.665 498 1HG1 ILE 65 1HG1 ILE 65 3.296 11.669 17.362 499 2HG1 ILE 65 2HG1 ILE 65 1.762 10.861 17.668 500 1HG2 ILE 65 1HG2 ILE 65 3.216 9.045 15.086 501 2HG2 ILE 65 2HG2 ILE 65 3.349 10.771 15.415 502 3HG2 ILE 65 3HG2 ILE 65 4.769 9.735 15.557 503 1HD1 ILE 65 1HD1 ILE 65 3.779 10.092 19.590 504 2HD1 ILE 65 2HD1 ILE 65 3.525 11.837 19.554 505 3HD1 ILE 65 3HD1 ILE 65 2.164 10.754 19.844 506 H ASN 66 H ASN 66 4.619 7.318 17.572 507 HA ASN 66 HA ASN 66 4.814 5.792 15.242 508 1HB ASN 66 1HB ASN 66 6.421 4.398 16.873 509 2HB ASN 66 2HB ASN 66 6.872 5.969 16.217 510 1HD2 ASN 66 1HD2 ASN 66 6.954 7.739 17.552 511 2HD2 ASN 66 2HD2 ASN 66 6.858 7.622 19.273 512 H LYS 67 H LYS 67 3.677 4.894 18.477 513 HA LYS 67 HA LYS 67 3.308 2.176 18.104 514 1HB LYS 67 1HB LYS 67 2.984 3.635 20.217 515 2HB LYS 67 2HB LYS 67 1.333 3.838 19.646 516 1HG LYS 67 1HG LYS 67 1.209 2.064 21.144 517 2HG LYS 67 2HG LYS 67 1.241 1.285 19.560 518 1HD LYS 67 1HD LYS 67 3.455 0.586 19.818 519 2HD LYS 67 2HD LYS 67 3.768 1.748 21.110 520 1HE LYS 67 1HE LYS 67 1.815 0.334 22.267 521 2HE LYS 67 2HE LYS 67 2.474 -0.914 21.211 522 1HZ LYS 67 1HZ LYS 67 3.447 -0.681 23.541 523 2HZ LYS 67 2HZ LYS 67 4.232 0.697 22.953 524 3HZ LYS 67 3HZ LYS 67 4.535 -0.812 22.251 525 H ALA 68 H ALA 68 1.285 4.866 17.099 526 HA ALA 68 HA ALA 68 -1.017 3.425 16.394 527 1HB ALA 68 1HB ALA 68 -1.444 5.382 14.851 528 2HB ALA 68 2HB ALA 68 -1.199 5.774 16.554 529 3HB ALA 68 3HB ALA 68 0.105 6.029 15.394 530 H LYS 69 H LYS 69 1.920 4.177 14.581 531 HA LYS 69 HA LYS 69 0.966 3.022 12.137 532 1HB LYS 69 1HB LYS 69 3.537 4.173 13.107 533 2HB LYS 69 2HB LYS 69 3.592 3.108 11.708 534 1HG LYS 69 1HG LYS 69 3.336 5.114 10.667 535 2HG LYS 69 2HG LYS 69 1.642 4.663 10.868 536 1HD LYS 69 1HD LYS 69 1.579 5.995 12.954 537 2HD LYS 69 2HD LYS 69 3.240 6.506 12.645 538 1HE LYS 69 1HE LYS 69 2.642 7.846 10.880 539 2HE LYS 69 2HE LYS 69 1.202 6.900 10.510 540 1HZ LYS 69 1HZ LYS 69 0.253 8.724 11.445 541 2HZ LYS 69 2HZ LYS 69 1.563 9.047 12.463 542 3HZ LYS 69 3HZ LYS 69 0.478 7.808 12.849 543 H TRP 70 H TRP 70 3.085 1.972 14.766 544 HA TRP 70 HA TRP 70 4.053 -0.389 13.714 545 1HB TRP 70 1HB TRP 70 4.539 0.736 15.990 546 2HB TRP 70 2HB TRP 70 3.169 -0.199 16.584 547 HD1 TRP 70 HD TRP 70 6.692 -0.700 15.105 548 HE1 TRP 70 1HE TRP 70 7.543 -3.021 15.821 549 HE3 TRP 70 3HE TRP 70 2.459 -2.454 17.374 550 HZ2 TRP 70 2HZ TRP 70 6.552 -5.295 17.168 551 HZ3 TRP 70 3HZ TRP 70 2.494 -4.712 18.350 552 HH2 TRP 70 HH TRP 70 4.498 -6.102 18.248 553 H ASP 71 H ASP 71 0.938 0.230 15.261 554 HA ASP 71 HA ASP 71 0.088 -2.493 15.218 555 1HB ASP 71 1HB ASP 71 -1.237 0.139 15.745 556 2HB ASP 71 2HB ASP 71 -2.235 -1.288 15.483 557 H ALA 72 H ALA 72 -0.001 0.137 12.954 558 HA ALA 72 HA ALA 72 -2.008 -1.007 11.253 559 1HB ALA 72 1HB ALA 72 -0.670 0.774 9.675 560 2HB ALA 72 2HB ALA 72 -2.023 1.170 10.735 561 3HB ALA 72 3HB ALA 72 -0.367 1.412 11.291 562 H TRP 73 H TRP 73 1.522 -0.591 10.973 563 HA TRP 73 HA TRP 73 1.734 -2.123 8.592 564 1HB TRP 73 1HB TRP 73 3.414 -0.444 9.252 565 2HB TRP 73 2HB TRP 73 3.866 -1.444 10.630 566 HD1 TRP 73 HD TRP 73 3.232 -3.492 7.582 567 HE1 TRP 73 1HE TRP 73 5.463 -4.251 6.548 568 HE3 TRP 73 3HE TRP 73 6.416 -0.502 10.239 569 HZ2 TRP 73 2HZ TRP 73 8.210 -3.660 6.822 570 HZ3 TRP 73 3HZ TRP 73 8.831 -0.660 9.792 571 HH2 TRP 73 HH TRP 73 9.707 -2.207 8.119 572 H ASN 74 H ASN 74 1.845 -2.899 11.998 573 HA ASN 74 HA ASN 74 2.961 -5.501 11.707 574 1HB ASN 74 1HB ASN 74 3.091 -4.377 13.845 575 2HB ASN 74 2HB ASN 74 1.336 -4.260 13.936 576 1HD2 ASN 74 1HD2 ASN 74 1.100 -5.395 15.805 577 2HD2 ASN 74 2HD2 ASN 74 1.439 -7.083 15.946 578 H ALA 75 H ALA 75 -0.350 -4.270 11.995 579 HA ALA 75 HA ALA 75 -1.810 -6.561 12.209 580 1HB ALA 75 1HB ALA 75 -3.387 -5.005 12.060 581 2HB ALA 75 2HB ALA 75 -2.288 -3.892 11.244 582 3HB ALA 75 3HB ALA 75 -3.207 -5.069 10.307 583 H LEU 76 H LEU 76 0.133 -5.584 9.536 584 HA LEU 76 HA LEU 76 -1.124 -7.197 7.547 585 1HB LEU 76 1HB LEU 76 1.469 -5.734 7.771 586 2HB LEU 76 2HB LEU 76 1.236 -6.892 6.463 587 HG LEU 76 HG LEU 76 0.799 -4.472 5.902 588 1HD1 LEU 76 1HD1 LEU 76 -0.008 -6.081 4.393 589 2HD1 LEU 76 2HD1 LEU 76 -1.382 -5.026 4.723 590 3HD1 LEU 76 3HD1 LEU 76 -1.277 -6.606 5.500 591 1HD2 LEU 76 1HD2 LEU 76 -0.325 -3.836 7.968 592 2HD2 LEU 76 2HD2 LEU 76 -1.642 -4.953 7.610 593 3HD2 LEU 76 3HD2 LEU 76 -1.367 -3.552 6.574 594 H GLY 77 H GLY 77 1.780 -7.598 9.564 595 1HA GLY 77 1HA GLY 77 2.687 -9.559 10.403 596 2HA GLY 77 2HA GLY 77 1.414 -10.457 9.590 597 H SER 78 H SER 78 2.527 -12.000 8.532 598 HA SER 78 HA SER 78 4.982 -11.389 7.138 599 1HB SER 78 1HB SER 78 3.387 -13.873 7.651 600 2HB SER 78 2HB SER 78 4.598 -13.874 6.369 601 HG SER 78 HG SER 78 5.955 -14.240 7.924 602 H LEU 79 H LEU 79 2.813 -9.891 6.177 603 HA LEU 79 HA LEU 79 1.712 -11.067 3.820 604 1HB LEU 79 1HB LEU 79 0.797 -9.122 5.217 605 2HB LEU 79 2HB LEU 79 1.949 -8.120 4.336 606 HG LEU 79 HG LEU 79 -0.324 -7.993 3.408 607 1HD1 LEU 79 1HD1 LEU 79 1.370 -9.434 1.407 608 2HD1 LEU 79 2HD1 LEU 79 1.860 -7.863 2.041 609 3HD1 LEU 79 3HD1 LEU 79 0.328 -8.028 1.184 610 1HD2 LEU 79 1HD2 LEU 79 -1.587 -9.798 3.163 611 2HD2 LEU 79 2HD2 LEU 79 -0.267 -10.793 3.779 612 3HD2 LEU 79 3HD2 LEU 79 -0.414 -10.496 2.046 613 HA PRO 80 HA PRO 80 5.337 -10.534 1.296 614 1HB PRO 80 1HB PRO 80 4.203 -11.392 -1.016 615 2HB PRO 80 2HB PRO 80 4.716 -12.493 0.269 616 1HG PRO 80 1HG PRO 80 1.979 -11.452 -0.354 617 2HG PRO 80 2HG PRO 80 2.477 -13.095 0.088 618 1HD PRO 80 1HD PRO 80 1.368 -11.382 1.867 619 2HD PRO 80 2HD PRO 80 2.574 -12.597 2.337 620 H LYS 81 H LYS 81 6.093 -8.994 -0.098 621 HA LYS 81 HA LYS 81 4.811 -6.559 -0.343 622 1HB LYS 81 1HB LYS 81 7.029 -7.818 -1.942 623 2HB LYS 81 2HB LYS 81 6.461 -6.188 -2.280 624 1HG LYS 81 1HG LYS 81 7.335 -5.331 -0.357 625 2HG LYS 81 2HG LYS 81 7.202 -6.859 0.517 626 1HD LYS 81 1HD LYS 81 9.035 -7.738 -0.976 627 2HD LYS 81 2HD LYS 81 9.251 -6.083 -1.552 628 1HE LYS 81 1HE LYS 81 9.455 -5.494 0.959 629 2HE LYS 81 2HE LYS 81 9.748 -7.219 1.176 630 1HZ LYS 81 1HZ LYS 81 11.534 -6.958 -0.558 631 2HZ LYS 81 2HZ LYS 81 11.846 -6.224 0.934 632 3HZ LYS 81 3HZ LYS 81 11.357 -5.284 -0.385 633 H GLU 82 H GLU 82 4.967 -9.211 -2.696 634 HA GLU 82 HA GLU 82 3.788 -8.126 -4.889 635 1HB GLU 82 1HB GLU 82 3.376 -10.852 -3.668 636 2HB GLU 82 2HB GLU 82 2.711 -10.407 -5.234 637 1HG GLU 82 1HG GLU 82 4.957 -9.969 -6.073 638 2HG GLU 82 2HG GLU 82 5.631 -10.396 -4.502 639 H ALA 83 H ALA 83 2.030 -9.529 -2.127 640 HA ALA 83 HA ALA 83 -0.520 -8.663 -3.128 641 1HB ALA 83 1HB ALA 83 -1.177 -10.296 -1.780 642 2HB ALA 83 2HB ALA 83 0.432 -10.404 -1.066 643 3HB ALA 83 3HB ALA 83 -0.756 -9.285 -0.397 644 H ALA 84 H ALA 84 1.777 -7.542 -0.700 645 HA ALA 84 HA ALA 84 0.262 -5.653 0.628 646 1HB ALA 84 1HB ALA 84 2.908 -6.390 0.618 647 2HB ALA 84 2HB ALA 84 2.962 -4.715 0.066 648 3HB ALA 84 3HB ALA 84 2.196 -5.112 1.604 649 H ARG 85 H ARG 85 2.094 -5.263 -2.392 650 HA ARG 85 HA ARG 85 1.518 -2.532 -2.764 651 1HB ARG 85 1HB ARG 85 2.296 -4.729 -4.673 652 2HB ARG 85 2HB ARG 85 2.038 -3.074 -5.207 653 1HG ARG 85 1HG ARG 85 3.742 -2.546 -3.266 654 2HG ARG 85 2HG ARG 85 4.222 -4.220 -3.556 655 1HD ARG 85 1HD ARG 85 4.167 -3.394 -6.078 656 2HD ARG 85 2HD ARG 85 4.463 -1.835 -5.309 657 HE ARG 85 HE ARG 85 6.214 -3.984 -4.475 658 1HH1 ARG 85 2HH1 ARG 85 5.707 -1.305 -6.640 659 2HH1 ARG 85 1HH1 ARG 85 7.392 -1.096 -6.986 660 1HH2 ARG 85 2HH2 ARG 85 8.435 -3.719 -4.922 661 2HH2 ARG 85 1HH2 ARG 85 8.943 -2.470 -6.008 662 H GLN 86 H GLN 86 -0.136 -5.468 -3.831 663 HA GLN 86 HA GLN 86 -2.055 -4.194 -5.463 664 1HB GLN 86 1HB GLN 86 -1.708 -6.537 -5.743 665 2HB GLN 86 2HB GLN 86 -2.044 -6.857 -4.046 666 1HG GLN 86 1HG GLN 86 -3.996 -7.532 -5.029 667 2HG GLN 86 2HG GLN 86 -4.382 -5.865 -4.605 668 1HE2 GLN 86 1HE2 GLN 86 -4.822 -4.422 -6.186 669 2HE2 GLN 86 2HE2 GLN 86 -4.872 -4.811 -7.868 670 H ASN 87 H ASN 87 -1.897 -4.840 -2.028 671 HA ASN 87 HA ASN 87 -4.626 -4.314 -1.451 672 1HB ASN 87 1HB ASN 87 -2.129 -4.336 0.238 673 2HB ASN 87 2HB ASN 87 -3.708 -3.944 0.912 674 1HD2 ASN 87 1HD2 ASN 87 -1.577 -6.404 -0.011 675 2HD2 ASN 87 2HD2 ASN 87 -2.626 -7.749 0.266 676 H TYR 88 H TYR 88 -1.695 -2.318 -1.315 677 HA TYR 88 HA TYR 88 -2.831 0.003 -0.277 678 1HB TYR 88 1HB TYR 88 -0.397 -0.372 -0.538 679 2HB TYR 88 2HB TYR 88 -0.571 -0.190 -2.280 680 HD1 TYR 88 1HD TYR 88 0.235 1.476 0.695 681 HD2 TYR 88 2HD TYR 88 -1.741 2.071 -3.026 682 HE1 TYR 88 1HE TYR 88 0.548 3.905 0.924 683 HE2 TYR 88 2HE TYR 88 -1.432 4.501 -2.808 684 HH TYR 88 HH TYR 88 -0.429 5.972 0.102 685 H VAL 89 H VAL 89 -2.498 -1.047 -3.648 686 HA VAL 89 HA VAL 89 -3.665 1.285 -4.774 687 HB VAL 89 HB VAL 89 -3.897 -0.078 -6.836 688 1HG1 VAL 89 1HG1 VAL 89 -1.609 -0.139 -7.317 689 2HG1 VAL 89 2HG1 VAL 89 -1.751 1.075 -6.043 690 3HG1 VAL 89 3HG1 VAL 89 -1.179 -0.549 -5.657 691 1HG2 VAL 89 1HG2 VAL 89 -2.762 -2.294 -5.132 692 2HG2 VAL 89 2HG2 VAL 89 -4.403 -2.224 -5.773 693 3HG2 VAL 89 3HG2 VAL 89 -3.032 -2.360 -6.874 694 H ASP 90 H ASP 90 -4.940 -1.893 -3.885 695 HA ASP 90 HA ASP 90 -7.498 -1.665 -4.950 696 1HB ASP 90 1HB ASP 90 -6.853 -3.784 -4.117 697 2HB ASP 90 2HB ASP 90 -6.449 -3.127 -2.533 698 H LEU 91 H LEU 91 -6.187 -0.447 -1.915 699 HA LEU 91 HA LEU 91 -8.687 0.423 -0.861 700 1HB LEU 91 1HB LEU 91 -6.785 -0.031 0.579 701 2HB LEU 91 2HB LEU 91 -5.867 1.258 -0.197 702 HG LEU 91 HG LEU 91 -6.731 1.860 2.044 703 1HD1 LEU 91 1HD1 LEU 91 -8.144 3.572 0.045 704 2HD1 LEU 91 2HD1 LEU 91 -6.384 3.462 0.033 705 3HD1 LEU 91 3HD1 LEU 91 -7.222 4.041 1.473 706 1HD2 LEU 91 1HD2 LEU 91 -8.831 0.566 1.902 707 2HD2 LEU 91 2HD2 LEU 91 -9.441 1.731 0.727 708 3HD2 LEU 91 3HD2 LEU 91 -9.090 2.245 2.378 709 H VAL 92 H VAL 92 -5.922 2.261 -2.174 710 HA VAL 92 HA VAL 92 -7.028 4.775 -2.198 711 HB VAL 92 HB VAL 92 -5.223 3.610 -4.323 712 1HG1 VAL 92 1HG1 VAL 92 -6.462 6.166 -4.101 713 2HG1 VAL 92 2HG1 VAL 92 -4.724 6.354 -3.859 714 3HG1 VAL 92 3HG1 VAL 92 -5.334 5.586 -5.326 715 1HG2 VAL 92 1HG2 VAL 92 -4.576 3.574 -1.787 716 2HG2 VAL 92 2HG2 VAL 92 -3.402 4.088 -2.998 717 3HG2 VAL 92 3HG2 VAL 92 -4.273 5.291 -2.048 718 H SER 93 H SER 93 -7.720 2.093 -4.301 719 HA SER 93 HA SER 93 -9.029 3.616 -6.335 720 1HB SER 93 1HB SER 93 -8.023 1.216 -6.468 721 2HB SER 93 2HB SER 93 -9.584 0.707 -5.827 722 HG SER 93 HG SER 93 -10.405 2.120 -7.658 723 H SER 94 H SER 94 -9.988 2.146 -3.327 724 HA SER 94 HA SER 94 -12.776 2.086 -3.756 725 1HB SER 94 1HB SER 94 -11.045 2.117 -1.298 726 2HB SER 94 2HB SER 94 -12.800 2.215 -1.159 727 HG SER 94 HG SER 94 -11.216 0.124 -2.191 728 H LEU 95 H LEU 95 -10.631 4.552 -2.400 729 HA LEU 95 HA LEU 95 -12.714 6.366 -1.718 730 1HB LEU 95 1HB LEU 95 -9.766 6.802 -2.166 731 2HB LEU 95 2HB LEU 95 -10.869 8.021 -1.531 732 HG LEU 95 HG LEU 95 -10.504 5.385 -0.145 733 1HD1 LEU 95 1HD1 LEU 95 -8.954 6.968 1.328 734 2HD1 LEU 95 2HD1 LEU 95 -8.648 7.689 -0.251 735 3HD1 LEU 95 3HD1 LEU 95 -8.321 5.977 0.014 736 1HD2 LEU 95 1HD2 LEU 95 -10.942 7.861 1.357 737 2HD2 LEU 95 2HD2 LEU 95 -11.734 6.290 1.496 738 3HD2 LEU 95 3HD2 LEU 95 -12.254 7.434 0.258 739 H SER 96 H SER 96 -10.535 6.062 -4.494 740 HA SER 96 HA SER 96 -12.358 7.795 -6.012 741 1HB SER 96 1HB SER 96 -9.422 8.123 -5.608 742 2HB SER 96 2HB SER 96 -10.075 8.488 -7.205 743 HG SER 96 HG SER 96 -10.591 10.332 -6.352 744 HA PRO 97 HA PRO 97 -11.794 3.860 -8.284 745 1HB PRO 97 1HB PRO 97 -14.289 3.887 -9.355 746 2HB PRO 97 2HB PRO 97 -13.945 3.268 -7.735 747 1HG PRO 97 1HG PRO 97 -15.029 5.936 -8.552 748 2HG PRO 97 2HG PRO 97 -15.540 4.880 -7.223 749 1HD PRO 97 1HD PRO 97 -13.946 7.036 -6.841 750 2HD PRO 97 2HD PRO 97 -13.823 5.569 -5.848 751 H SER 98 H SER 98 -12.494 7.098 -9.179 752 HA SER 98 HA SER 98 -11.267 6.720 -11.758 753 1HB SER 98 1HB SER 98 -14.187 7.435 -11.513 754 2HB SER 98 2HB SER 98 -13.236 7.862 -12.935 755 HG SER 98 HG SER 98 -13.011 5.762 -13.438 756 H LEU 99 H LEU 99 -9.901 8.358 -11.919 757 HA LEU 99 HA LEU 99 -10.797 11.055 -11.244 758 1HB LEU 99 1HB LEU 99 -9.527 9.872 -9.320 759 2HB LEU 99 2HB LEU 99 -8.101 10.140 -10.319 760 HG LEU 99 HG LEU 99 -9.907 12.393 -9.485 761 1HD1 LEU 99 1HD1 LEU 99 -7.399 11.581 -8.042 762 2HD1 LEU 99 2HD1 LEU 99 -9.006 11.078 -7.518 763 3HD1 LEU 99 3HD1 LEU 99 -8.593 12.791 -7.572 764 1HD2 LEU 99 1HD2 LEU 99 -7.173 13.088 -9.725 765 2HD2 LEU 99 2HD2 LEU 99 -8.526 13.596 -10.735 766 3HD2 LEU 99 3HD2 LEU 99 -7.613 12.145 -11.148 767 H GLU 100 H GLU 100 -10.010 12.599 -12.579 768 HA GLU 100 HA GLU 100 -9.029 12.040 -15.065 769 1HB GLU 100 1HB GLU 100 -9.918 14.223 -14.505 770 2HB GLU 100 2HB GLU 100 -8.573 14.530 -13.415 771 1HG GLU 100 1HG GLU 100 -8.085 13.991 -16.313 772 2HG GLU 100 2HG GLU 100 -8.567 15.594 -15.762 773 H SER 101 H SER 101 -7.327 10.705 -15.343 774 HA SER 101 HA SER 101 -4.723 11.661 -14.382 775 1HB SER 101 1HB SER 101 -4.036 9.508 -13.646 776 2HB SER 101 2HB SER 101 -5.640 9.753 -12.955 777 HG SER 101 HG SER 101 -5.070 7.673 -14.140 778 H SER 102 H SER 102 -3.325 11.863 -15.993 779 HA SER 102 HA SER 102 -3.750 10.259 -18.429 780 1HB SER 102 1HB SER 102 -4.121 12.844 -18.478 781 2HB SER 102 2HB SER 102 -2.359 12.920 -18.474 782 HG SER 102 HG SER 102 -3.924 11.461 -20.341 783 H SER 103 H SER 103 -1.814 9.786 -19.684 784 HA SER 103 HA SER 103 0.620 9.685 -18.026 785 1HB SER 103 1HB SER 103 1.116 7.484 -19.103 786 2HB SER 103 2HB SER 103 -0.326 7.457 -18.089 787 HG SER 103 HG SER 103 -0.744 8.100 -20.746 788 H GLN 104 H GLN 104 2.020 11.055 -18.914 789 HA GLN 104 HA GLN 104 2.008 11.617 -21.742 790 1HB GLN 104 1HB GLN 104 3.585 12.630 -19.397 791 2HB GLN 104 2HB GLN 104 4.082 13.012 -21.040 792 1HG GLN 104 1HG GLN 104 1.934 14.063 -21.467 793 2HG GLN 104 2HG GLN 104 1.395 13.644 -19.842 794 1HE2 GLN 104 1HE2 GLN 104 1.035 15.834 -19.383 795 2HE2 GLN 104 2HE2 GLN 104 2.340 16.914 -19.049 796 H VAL 105 H VAL 105 3.235 10.697 -23.254 797 HA VAL 105 HA VAL 105 4.850 8.446 -22.676 798 HB VAL 105 HB VAL 105 4.699 10.076 -25.216 799 1HG1 VAL 105 1HG1 VAL 105 6.618 8.254 -24.591 800 2HG1 VAL 105 2HG1 VAL 105 5.403 7.234 -25.363 801 3HG1 VAL 105 3HG1 VAL 105 6.073 8.618 -26.228 802 1HG2 VAL 105 1HG2 VAL 105 2.731 8.546 -24.009 803 2HG2 VAL 105 2HG2 VAL 105 2.781 9.046 -25.699 804 3HG2 VAL 105 3HG2 VAL 105 3.423 7.473 -25.226 805 H GLU 106 H GLU 106 6.497 9.023 -21.266 806 HA GLU 106 HA GLU 106 8.272 11.200 -21.783 807 1HB GLU 106 1HB GLU 106 9.516 10.424 -19.881 808 2HB GLU 106 2HB GLU 106 7.803 10.281 -19.511 809 1HG GLU 106 1HG GLU 106 8.123 7.836 -20.373 810 2HG GLU 106 2HG GLU 106 9.819 8.149 -20.008 811 HA PRO 107 HA PRO 107 11.033 9.305 -24.637 812 1HB PRO 107 1HB PRO 107 13.247 10.803 -24.158 813 2HB PRO 107 2HB PRO 107 11.839 11.421 -25.030 814 1HG PRO 107 1HG PRO 107 12.609 11.803 -22.163 815 2HG PRO 107 2HG PRO 107 11.977 12.989 -23.319 816 1HD PRO 107 1HD PRO 107 10.418 11.805 -21.448 817 2HD PRO 107 2HD PRO 107 9.799 12.288 -23.040 818 H GLY 108 H GLY 108 13.315 8.388 -24.710 819 1HA GLY 108 1HA GLY 108 14.563 7.618 -22.254 820 2HA GLY 108 2HA GLY 108 13.619 6.304 -22.941 821 H THR 109 H THR 109 16.460 6.354 -22.538 822 HA THR 109 HA THR 109 17.275 5.748 -25.270 823 HB THR 109 HB THR 109 19.426 6.948 -25.019 824 HG1 THR 109 1HG THR 109 19.437 7.103 -22.725 825 1HG2 THR 109 1HG2 THR 109 17.217 8.942 -24.625 826 2HG2 THR 109 2HG2 THR 109 17.291 7.940 -26.074 827 3HG2 THR 109 3HG2 THR 109 18.618 9.036 -25.690 828 H ASP 110 H ASP 110 18.675 4.063 -25.407 829 HA ASP 110 HA ASP 110 20.329 3.222 -23.236 830 1HB ASP 110 1HB ASP 110 18.242 2.367 -22.350 831 2HB ASP 110 2HB ASP 110 17.871 1.584 -23.884 832 H SER 111 H SER 111 22.078 2.382 -24.144 833 HA SER 111 HA SER 111 21.827 1.178 -26.818 834 1HB SER 111 1HB SER 111 24.188 2.523 -25.487 835 2HB SER 111 2HB SER 111 24.263 1.710 -27.050 836 HG SER 111 HG SER 111 23.687 3.592 -27.790 837 H GLY 112 H GLY 112 23.365 -0.582 -27.318 838 1HA GLY 112 1HA GLY 112 24.489 -2.044 -25.088 839 2HA GLY 112 2HA GLY 112 23.090 -2.810 -25.824 840 HA PRO 113 HA PRO 113 26.858 -2.743 -28.924 841 1HB PRO 113 1HB PRO 113 29.244 -2.982 -27.651 842 2HB PRO 113 2HB PRO 113 28.537 -1.420 -28.083 843 1HG PRO 113 1HG PRO 113 28.519 -2.844 -25.450 844 2HG PRO 113 2HG PRO 113 28.799 -1.126 -25.791 845 1HD PRO 113 1HD PRO 113 26.419 -2.067 -24.906 846 2HD PRO 113 2HD PRO 113 26.549 -0.671 -25.995 847 H SER 114 H SER 114 26.409 -4.760 -29.611 848 HA SER 114 HA SER 114 26.370 -7.076 -28.043 849 1HB SER 114 1HB SER 114 26.683 -6.701 -31.026 850 2HB SER 114 2HB SER 114 26.495 -8.282 -30.267 851 HG SER 114 HG SER 114 24.658 -6.187 -29.806 852 H SER 115 H SER 115 28.889 -5.844 -30.229 853 HA SER 115 HA SER 115 30.830 -7.523 -28.787 854 1HB SER 115 1HB SER 115 31.988 -8.029 -30.841 855 2HB SER 115 2HB SER 115 30.289 -8.448 -31.058 856 HG SER 115 HG SER 115 30.312 -6.057 -31.866 857 H GLY 116 H GLY 116 33.144 -6.750 -29.279 858 1HA GLY 116 1HA GLY 116 33.910 -4.307 -30.181 859 2HA GLY 116 2HA GLY 116 33.251 -3.952 -28.591 Start of MODEL 9 1 1H GLY 1 H GLY 1 -39.283 -8.729 -20.175 2 1HA GLY 1 1HA GLY 1 -40.732 -9.165 -22.353 3 2HA GLY 1 2HA GLY 1 -39.146 -8.419 -22.487 4 H SER 2 H SER 2 -37.512 -9.506 -23.469 5 HA SER 2 HA SER 2 -38.114 -12.241 -24.392 6 1HB SER 2 1HB SER 2 -37.039 -9.871 -25.864 7 2HB SER 2 2HB SER 2 -36.491 -11.479 -26.337 8 HG SER 2 HG SER 2 -38.275 -11.468 -27.458 9 H SER 3 H SER 3 -35.456 -9.946 -23.807 10 HA SER 3 HA SER 3 -33.511 -12.056 -23.599 11 1HB SER 3 1HB SER 3 -33.462 -9.075 -23.352 12 2HB SER 3 2HB SER 3 -32.120 -10.003 -22.684 13 HG SER 3 HG SER 3 -33.020 -10.490 -25.305 14 H GLY 4 H GLY 4 -32.120 -12.292 -21.662 15 1HA GLY 4 1HA GLY 4 -33.237 -11.499 -19.114 16 2HA GLY 4 2HA GLY 4 -33.385 -13.215 -19.461 17 H SER 5 H SER 5 -32.023 -12.693 -17.281 18 HA SER 5 HA SER 5 -29.348 -12.025 -17.386 19 1HB SER 5 1HB SER 5 -30.808 -12.608 -15.344 20 2HB SER 5 2HB SER 5 -30.345 -14.281 -15.654 21 HG SER 5 HG SER 5 -28.958 -13.169 -14.156 22 H SER 6 H SER 6 -27.932 -12.768 -18.828 23 HA SER 6 HA SER 6 -27.230 -15.556 -18.831 24 1HB SER 6 1HB SER 6 -27.643 -16.022 -21.153 25 2HB SER 6 2HB SER 6 -29.150 -15.426 -20.457 26 HG SER 6 HG SER 6 -27.305 -13.754 -21.807 27 H GLY 7 H GLY 7 -25.090 -15.664 -18.970 28 1HA GLY 7 1HA GLY 7 -23.088 -15.195 -20.290 29 2HA GLY 7 2HA GLY 7 -23.682 -13.552 -20.480 30 H MET 8 H MET 8 -21.870 -15.714 -18.535 31 HA MET 8 HA MET 8 -21.325 -13.523 -16.644 32 1HB MET 8 1HB MET 8 -21.558 -16.477 -16.056 33 2HB MET 8 2HB MET 8 -20.899 -15.303 -14.923 34 1HG MET 8 1HG MET 8 -23.104 -15.574 -14.248 35 2HG MET 8 2HG MET 8 -23.119 -14.075 -15.174 36 1HE MET 8 1HE MET 8 -25.271 -17.186 -14.625 37 2HE MET 8 2HE MET 8 -25.123 -18.042 -16.159 38 3HE MET 8 3HE MET 8 -23.704 -17.815 -15.135 39 H ASN 9 H ASN 9 -19.187 -13.382 -15.843 40 HA ASN 9 HA ASN 9 -17.136 -15.165 -16.747 41 1HB ASN 9 1HB ASN 9 -15.896 -13.403 -18.046 42 2HB ASN 9 2HB ASN 9 -17.360 -13.992 -18.827 43 1HD2 ASN 9 1HD2 ASN 9 -15.822 -11.316 -17.259 44 2HD2 ASN 9 2HD2 ASN 9 -17.003 -10.126 -17.676 45 H ARG 10 H ARG 10 -15.796 -15.254 -15.081 46 HA ARG 10 HA ARG 10 -15.473 -12.871 -13.391 47 1HB ARG 10 1HB ARG 10 -16.324 -14.958 -12.318 48 2HB ARG 10 2HB ARG 10 -14.806 -15.743 -12.731 49 1HG ARG 10 1HG ARG 10 -14.513 -15.120 -10.519 50 2HG ARG 10 2HG ARG 10 -13.699 -13.836 -11.415 51 1HD ARG 10 1HD ARG 10 -15.022 -12.846 -9.671 52 2HD ARG 10 2HD ARG 10 -15.759 -12.469 -11.228 53 HE ARG 10 HE ARG 10 -16.828 -14.225 -9.165 54 1HH1 ARG 10 2HH1 ARG 10 -17.079 -12.940 -12.391 55 2HH1 ARG 10 1HH1 ARG 10 -18.745 -13.375 -12.575 56 1HH2 ARG 10 2HH2 ARG 10 -19.023 -14.803 -9.396 57 2HH2 ARG 10 1HH2 ARG 10 -19.851 -14.434 -10.871 58 H THR 11 H THR 11 -13.568 -11.864 -13.262 59 HA THR 11 HA THR 11 -11.081 -13.224 -13.790 60 HB THR 11 HB THR 11 -11.886 -12.651 -16.081 61 HG1 THR 11 1HG THR 11 -9.700 -12.766 -15.937 62 1HG2 THR 11 1HG2 THR 11 -11.427 -9.780 -15.291 63 2HG2 THR 11 2HG2 THR 11 -13.028 -10.519 -15.329 64 3HG2 THR 11 3HG2 THR 11 -12.076 -10.400 -16.808 65 H ALA 12 H ALA 12 -9.470 -12.324 -12.651 66 HA ALA 12 HA ALA 12 -9.987 -9.706 -11.407 67 1HB ALA 12 1HB ALA 12 -8.570 -12.156 -10.462 68 2HB ALA 12 2HB ALA 12 -8.115 -10.581 -9.812 69 3HB ALA 12 3HB ALA 12 -9.771 -11.161 -9.637 70 H MET 13 H MET 13 -7.851 -8.575 -10.763 71 HA MET 13 HA MET 13 -5.889 -8.809 -12.942 72 1HB MET 13 1HB MET 13 -5.737 -6.333 -13.003 73 2HB MET 13 2HB MET 13 -7.309 -6.938 -13.508 74 1HG MET 13 1HG MET 13 -7.775 -5.099 -12.151 75 2HG MET 13 2HG MET 13 -8.073 -6.503 -11.129 76 1HE MET 13 1HE MET 13 -7.699 -3.484 -10.631 77 2HE MET 13 2HE MET 13 -6.529 -3.192 -9.345 78 3HE MET 13 3HE MET 13 -6.055 -2.987 -11.032 79 H ARG 14 H ARG 14 -3.866 -7.486 -12.408 80 HA ARG 14 HA ARG 14 -3.269 -7.731 -9.532 81 1HB ARG 14 1HB ARG 14 -1.689 -8.596 -11.928 82 2HB ARG 14 2HB ARG 14 -0.856 -8.152 -10.444 83 1HG ARG 14 1HG ARG 14 -2.423 -9.831 -9.299 84 2HG ARG 14 2HG ARG 14 -2.744 -10.422 -10.931 85 1HD ARG 14 1HD ARG 14 -0.994 -11.776 -10.351 86 2HD ARG 14 2HD ARG 14 -0.116 -10.432 -11.082 87 HE ARG 14 HE ARG 14 -0.456 -10.017 -8.299 88 1HH1 ARG 14 2HH1 ARG 14 1.384 -11.868 -10.604 89 2HH1 ARG 14 1HH1 ARG 14 2.754 -12.052 -9.559 90 1HH2 ARG 14 2HH2 ARG 14 1.342 -10.252 -6.915 91 2HH2 ARG 14 1HH2 ARG 14 2.728 -11.133 -7.461 92 H ALA 15 H ALA 15 -1.457 -6.366 -8.796 93 HA ALA 15 HA ALA 15 -1.415 -3.812 -10.264 94 1HB ALA 15 1HB ALA 15 -1.447 -2.644 -8.282 95 2HB ALA 15 2HB ALA 15 -2.452 -4.038 -7.878 96 3HB ALA 15 3HB ALA 15 -0.768 -3.984 -7.357 97 H SER 16 H SER 16 0.517 -2.732 -10.554 98 HA SER 16 HA SER 16 2.954 -4.190 -9.771 99 1HB SER 16 1HB SER 16 2.163 -4.204 -12.297 100 2HB SER 16 2HB SER 16 2.907 -2.605 -12.307 101 HG SER 16 HG SER 16 4.221 -4.944 -11.391 102 H GLN 17 H GLN 17 4.943 -2.740 -9.994 103 HA GLN 17 HA GLN 17 4.953 -0.734 -8.184 104 1HB GLN 17 1HB GLN 17 6.992 -1.638 -9.185 105 2HB GLN 17 2HB GLN 17 6.618 -0.837 -10.705 106 1HG GLN 17 1HG GLN 17 8.329 0.345 -9.408 107 2HG GLN 17 2HG GLN 17 6.891 1.326 -9.684 108 1HE2 GLN 17 1HE2 GLN 17 5.649 1.958 -7.972 109 2HE2 GLN 17 2HE2 GLN 17 6.104 1.709 -6.324 110 H LYS 18 H LYS 18 4.654 -0.194 -11.697 111 HA LYS 18 HA LYS 18 4.323 2.530 -11.721 112 1HB LYS 18 1HB LYS 18 4.371 0.817 -13.670 113 2HB LYS 18 2HB LYS 18 2.624 0.778 -13.474 114 1HG LYS 18 1HG LYS 18 2.540 3.200 -13.853 115 2HG LYS 18 2HG LYS 18 4.289 3.211 -14.092 116 1HD LYS 18 1HD LYS 18 4.049 1.723 -16.008 117 2HD LYS 18 2HD LYS 18 2.303 1.658 -15.754 118 1HE LYS 18 1HE LYS 18 3.688 4.283 -16.145 119 2HE LYS 18 2HE LYS 18 3.276 3.277 -17.533 120 1HZ LYS 18 1HZ LYS 18 0.999 3.339 -16.017 121 2HZ LYS 18 2HZ LYS 18 1.281 4.214 -17.437 122 3HZ LYS 18 3HZ LYS 18 1.586 4.924 -15.932 123 H ASP 19 H ASP 19 1.735 0.100 -11.422 124 HA ASP 19 HA ASP 19 -0.405 1.864 -11.167 125 1HB ASP 19 1HB ASP 19 0.036 -0.931 -10.132 126 2HB ASP 19 2HB ASP 19 -1.479 -0.071 -9.872 127 H PHE 20 H PHE 20 1.816 0.603 -8.735 128 HA PHE 20 HA PHE 20 0.467 1.606 -6.471 129 1HB PHE 20 1HB PHE 20 2.280 -0.128 -6.444 130 2HB PHE 20 2HB PHE 20 3.443 1.156 -6.756 131 HD1 PHE 20 1HD PHE 20 3.536 3.085 -5.069 132 HD2 PHE 20 2HD PHE 20 1.671 -0.657 -4.272 133 HE1 PHE 20 1HE PHE 20 3.706 3.518 -2.653 134 HE2 PHE 20 2HE PHE 20 1.838 -0.230 -1.855 135 HZ PHE 20 HZ PHE 20 2.856 1.861 -1.043 136 H GLU 21 H GLU 21 3.259 2.902 -8.267 137 HA GLU 21 HA GLU 21 3.620 5.240 -6.826 138 1HB GLU 21 1HB GLU 21 4.235 4.381 -9.607 139 2HB GLU 21 2HB GLU 21 4.339 6.099 -9.251 140 1HG GLU 21 1HG GLU 21 5.828 5.449 -7.299 141 2HG GLU 21 2HG GLU 21 5.906 3.850 -8.037 142 H ASN 22 H ASN 22 1.045 4.363 -8.895 143 HA ASN 22 HA ASN 22 0.219 7.089 -9.441 144 1HB ASN 22 1HB ASN 22 -0.909 4.384 -10.136 145 2HB ASN 22 2HB ASN 22 -1.817 5.864 -10.430 146 1HD2 ASN 22 1HD2 ASN 22 0.392 3.713 -11.681 147 2HD2 ASN 22 2HD2 ASN 22 0.978 4.665 -12.998 148 H SER 23 H SER 23 -0.932 4.324 -7.537 149 HA SER 23 HA SER 23 -3.248 5.495 -6.508 150 1HB SER 23 1HB SER 23 -1.422 3.342 -5.454 151 2HB SER 23 2HB SER 23 -2.863 3.847 -4.571 152 HG SER 23 HG SER 23 -2.636 2.456 -6.974 153 H MET 24 H MET 24 0.001 5.315 -5.056 154 HA MET 24 HA MET 24 -0.505 6.717 -2.725 155 1HB MET 24 1HB MET 24 1.939 7.344 -2.824 156 2HB MET 24 2HB MET 24 1.594 5.625 -2.966 157 1HG MET 24 1HG MET 24 2.265 5.524 -5.136 158 2HG MET 24 2HG MET 24 1.826 7.198 -5.466 159 1HE MET 24 1HE MET 24 4.966 8.897 -5.658 160 2HE MET 24 2HE MET 24 4.509 7.624 -6.790 161 3HE MET 24 3HE MET 24 3.271 8.670 -6.092 162 H ASN 25 H ASN 25 0.140 7.926 -5.965 163 HA ASN 25 HA ASN 25 0.523 10.633 -5.304 164 1HB ASN 25 1HB ASN 25 1.085 9.628 -7.508 165 2HB ASN 25 2HB ASN 25 -0.636 9.500 -7.859 166 1HD2 ASN 25 1HD2 ASN 25 0.194 10.799 -9.732 167 2HD2 ASN 25 2HD2 ASN 25 0.171 12.518 -9.562 168 H GLN 26 H GLN 26 -2.399 8.883 -6.334 169 HA GLN 26 HA GLN 26 -4.194 10.979 -6.371 170 1HB GLN 26 1HB GLN 26 -4.684 8.133 -5.478 171 2HB GLN 26 2HB GLN 26 -5.941 9.287 -5.903 172 1HG GLN 26 1HG GLN 26 -5.033 9.419 -8.177 173 2HG GLN 26 2HG GLN 26 -3.812 8.224 -7.744 174 1HE2 GLN 26 1HE2 GLN 26 -7.297 8.741 -7.940 175 2HE2 GLN 26 2HE2 GLN 26 -7.702 7.099 -8.293 176 H VAL 27 H VAL 27 -3.293 8.930 -3.610 177 HA VAL 27 HA VAL 27 -4.988 10.019 -1.700 178 HB VAL 27 HB VAL 27 -2.180 8.991 -1.269 179 1HG1 VAL 27 1HG1 VAL 27 -4.452 9.546 0.618 180 2HG1 VAL 27 2HG1 VAL 27 -3.138 8.440 1.022 181 3HG1 VAL 27 3HG1 VAL 27 -2.792 10.138 0.692 182 1HG2 VAL 27 1HG2 VAL 27 -4.587 7.354 -0.700 183 2HG2 VAL 27 2HG2 VAL 27 -4.124 7.564 -2.388 184 3HG2 VAL 27 3HG2 VAL 27 -2.984 6.860 -1.242 185 H LYS 28 H LYS 28 -2.178 11.365 -3.173 186 HA LYS 28 HA LYS 28 -1.863 13.405 -1.118 187 1HB LYS 28 1HB LYS 28 -0.356 12.842 -3.674 188 2HB LYS 28 2HB LYS 28 -0.002 14.203 -2.617 189 1HG LYS 28 1HG LYS 28 0.167 12.306 -0.797 190 2HG LYS 28 2HG LYS 28 0.493 11.303 -2.212 191 1HD LYS 28 1HD LYS 28 1.975 13.840 -1.527 192 2HD LYS 28 2HD LYS 28 2.544 12.212 -1.149 193 1HE LYS 28 1HE LYS 28 1.810 12.948 -3.956 194 2HE LYS 28 2HE LYS 28 3.384 13.398 -3.302 195 1HZ LYS 28 1HZ LYS 28 2.562 10.631 -2.925 196 2HZ LYS 28 2HZ LYS 28 4.087 11.269 -3.282 197 3HZ LYS 28 3HZ LYS 28 2.937 11.091 -4.509 198 H LEU 29 H LEU 29 -3.431 12.946 -4.133 199 HA LEU 29 HA LEU 29 -3.547 15.670 -4.955 200 1HB LEU 29 1HB LEU 29 -4.865 13.132 -5.740 201 2HB LEU 29 2HB LEU 29 -5.663 14.635 -6.196 202 HG LEU 29 HG LEU 29 -4.031 15.205 -7.706 203 1HD1 LEU 29 1HD1 LEU 29 -2.203 13.661 -5.925 204 2HD1 LEU 29 2HD1 LEU 29 -2.066 15.316 -6.518 205 3HD1 LEU 29 3HD1 LEU 29 -1.741 13.961 -7.600 206 1HD2 LEU 29 1HD2 LEU 29 -3.435 12.300 -7.897 207 2HD2 LEU 29 2HD2 LEU 29 -3.895 13.448 -9.155 208 3HD2 LEU 29 3HD2 LEU 29 -5.115 12.817 -8.047 209 H LEU 30 H LEU 30 -5.853 13.527 -3.301 210 HA LEU 30 HA LEU 30 -8.062 15.042 -3.047 211 1HB LEU 30 1HB LEU 30 -8.400 14.061 -0.808 212 2HB LEU 30 2HB LEU 30 -7.917 12.880 -2.023 213 HG LEU 30 HG LEU 30 -5.527 13.270 -1.049 214 1HD1 LEU 30 1HD1 LEU 30 -6.807 13.671 1.554 215 2HD1 LEU 30 2HD1 LEU 30 -6.829 15.085 0.501 216 3HD1 LEU 30 3HD1 LEU 30 -5.296 14.319 0.916 217 1HD2 LEU 30 1HD2 LEU 30 -7.361 11.787 0.782 218 2HD2 LEU 30 2HD2 LEU 30 -5.771 11.331 0.171 219 3HD2 LEU 30 3HD2 LEU 30 -7.178 11.255 -0.890 220 H LYS 31 H LYS 31 -8.837 16.699 -1.745 221 HA LYS 31 HA LYS 31 -6.760 18.304 -0.404 222 1HB LYS 31 1HB LYS 31 -8.028 19.154 -2.547 223 2HB LYS 31 2HB LYS 31 -9.312 19.510 -1.399 224 1HG LYS 31 1HG LYS 31 -8.075 21.496 -1.633 225 2HG LYS 31 2HG LYS 31 -7.602 20.812 -0.076 226 1HD LYS 31 1HD LYS 31 -5.662 19.730 -1.356 227 2HD LYS 31 2HD LYS 31 -6.062 20.856 -2.655 228 1HE LYS 31 1HE LYS 31 -4.368 21.902 -1.387 229 2HE LYS 31 2HE LYS 31 -5.873 22.701 -0.935 230 1HZ LYS 31 1HZ LYS 31 -5.530 22.140 1.163 231 2HZ LYS 31 2HZ LYS 31 -4.041 21.457 0.742 232 3HZ LYS 31 3HZ LYS 31 -5.435 20.498 0.764 233 H LYS 32 H LYS 32 -8.771 16.165 0.525 234 HA LYS 32 HA LYS 32 -9.882 17.752 2.746 235 1HB LYS 32 1HB LYS 32 -11.772 16.226 2.850 236 2HB LYS 32 2HB LYS 32 -11.658 16.933 1.243 237 1HG LYS 32 1HG LYS 32 -10.342 14.313 1.723 238 2HG LYS 32 2HG LYS 32 -12.101 14.364 1.593 239 1HD LYS 32 1HD LYS 32 -10.518 15.813 -0.461 240 2HD LYS 32 2HD LYS 32 -10.535 14.049 -0.530 241 1HE LYS 32 1HE LYS 32 -12.330 14.669 -1.878 242 2HE LYS 32 2HE LYS 32 -13.087 14.272 -0.337 243 1HZ LYS 32 1HZ LYS 32 -13.205 16.603 0.197 244 2HZ LYS 32 2HZ LYS 32 -13.943 16.338 -1.301 245 3HZ LYS 32 3HZ LYS 32 -12.396 17.019 -1.229 246 H ASP 33 H ASP 33 -10.350 16.340 4.704 247 HA ASP 33 HA ASP 33 -8.097 14.481 5.083 248 1HB ASP 33 1HB ASP 33 -8.380 16.711 6.457 249 2HB ASP 33 2HB ASP 33 -9.529 15.749 7.384 250 HA PRO 34 HA PRO 34 -11.557 11.580 5.310 251 1HB PRO 34 1HB PRO 34 -10.005 9.376 4.984 252 2HB PRO 34 2HB PRO 34 -10.537 10.385 3.634 253 1HG PRO 34 1HG PRO 34 -7.908 10.369 5.065 254 2HG PRO 34 2HG PRO 34 -8.234 10.476 3.325 255 1HD PRO 34 1HD PRO 34 -7.628 12.644 4.830 256 2HD PRO 34 2HD PRO 34 -8.711 12.729 3.426 257 H GLY 35 H GLY 35 -8.505 11.537 7.071 258 1HA GLY 35 1HA GLY 35 -8.975 11.491 9.574 259 2HA GLY 35 2HA GLY 35 -9.810 9.987 9.216 260 H ASN 36 H ASN 36 -7.516 10.476 10.970 261 HA ASN 36 HA ASN 36 -5.108 9.620 9.821 262 1HB ASN 36 1HB ASN 36 -6.214 9.697 12.593 263 2HB ASN 36 2HB ASN 36 -4.753 8.756 12.305 264 1HD2 ASN 36 1HD2 ASN 36 -2.857 9.795 11.772 265 2HD2 ASN 36 2HD2 ASN 36 -2.656 11.504 11.925 266 H GLU 37 H GLU 37 -7.985 7.917 10.432 267 HA GLU 37 HA GLU 37 -7.031 5.339 10.980 268 1HB GLU 37 1HB GLU 37 -9.191 4.575 10.517 269 2HB GLU 37 2HB GLU 37 -9.444 6.235 11.037 270 1HG GLU 37 1HG GLU 37 -9.648 6.951 8.727 271 2HG GLU 37 2HG GLU 37 -9.339 5.306 8.176 272 H VAL 38 H VAL 38 -7.698 6.957 7.897 273 HA VAL 38 HA VAL 38 -6.854 4.668 6.354 274 HB VAL 38 HB VAL 38 -8.561 5.976 5.352 275 1HG1 VAL 38 1HG1 VAL 38 -8.161 8.393 4.777 276 2HG1 VAL 38 2HG1 VAL 38 -8.359 8.048 6.497 277 3HG1 VAL 38 3HG1 VAL 38 -6.750 8.332 5.833 278 1HG2 VAL 38 1HG2 VAL 38 -6.460 7.091 3.658 279 2HG2 VAL 38 2HG2 VAL 38 -6.217 5.391 4.059 280 3HG2 VAL 38 3HG2 VAL 38 -7.713 5.909 3.281 281 H LYS 39 H LYS 39 -5.549 7.839 7.213 282 HA LYS 39 HA LYS 39 -3.312 7.925 5.599 283 1HB LYS 39 1HB LYS 39 -3.955 9.013 8.303 284 2HB LYS 39 2HB LYS 39 -2.294 9.116 7.736 285 1HG LYS 39 1HG LYS 39 -3.061 11.106 6.970 286 2HG LYS 39 2HG LYS 39 -3.480 10.099 5.582 287 1HD LYS 39 1HD LYS 39 -5.734 10.072 6.121 288 2HD LYS 39 2HD LYS 39 -5.437 10.463 7.816 289 1HE LYS 39 1HE LYS 39 -6.431 12.307 6.395 290 2HE LYS 39 2HE LYS 39 -4.988 12.724 7.318 291 1HZ LYS 39 1HZ LYS 39 -4.626 13.598 5.201 292 2HZ LYS 39 2HZ LYS 39 -5.225 12.226 4.414 293 3HZ LYS 39 3HZ LYS 39 -3.729 12.163 5.203 294 H LEU 40 H LEU 40 -3.999 5.776 8.169 295 HA LEU 40 HA LEU 40 -1.200 5.041 8.545 296 1HB LEU 40 1HB LEU 40 -3.752 4.168 9.878 297 2HB LEU 40 2HB LEU 40 -2.195 3.408 10.200 298 HG LEU 40 HG LEU 40 -2.548 6.358 10.581 299 1HD1 LEU 40 1HD1 LEU 40 -4.238 5.813 11.996 300 2HD1 LEU 40 2HD1 LEU 40 -2.876 5.510 13.075 301 3HD1 LEU 40 3HD1 LEU 40 -3.655 4.166 12.241 302 1HD2 LEU 40 1HD2 LEU 40 -0.322 5.023 10.633 303 2HD2 LEU 40 2HD2 LEU 40 -0.882 4.491 12.219 304 3HD2 LEU 40 3HD2 LEU 40 -0.652 6.210 11.894 305 H LYS 41 H LYS 41 -4.250 3.590 7.456 306 HA LYS 41 HA LYS 41 -3.314 1.035 6.874 307 1HB LYS 41 1HB LYS 41 -5.328 0.683 5.828 308 2HB LYS 41 2HB LYS 41 -5.725 2.103 6.787 309 1HG LYS 41 1HG LYS 41 -5.424 3.534 4.869 310 2HG LYS 41 2HG LYS 41 -4.887 2.164 3.895 311 1HD LYS 41 1HD LYS 41 -7.355 2.993 3.732 312 2HD LYS 41 2HD LYS 41 -7.006 1.263 3.754 313 1HE LYS 41 1HE LYS 41 -7.462 1.211 6.162 314 2HE LYS 41 2HE LYS 41 -7.819 2.937 6.130 315 1HZ LYS 41 1HZ LYS 41 -9.386 1.759 4.169 316 2HZ LYS 41 2HZ LYS 41 -9.900 2.414 5.641 317 3HZ LYS 41 3HZ LYS 41 -9.524 0.768 5.534 318 H LEU 42 H LEU 42 -2.868 4.026 5.181 319 HA LEU 42 HA LEU 42 -2.049 2.815 2.703 320 1HB LEU 42 1HB LEU 42 -2.274 5.559 3.789 321 2HB LEU 42 2HB LEU 42 -1.102 5.310 2.496 322 HG LEU 42 HG LEU 42 -3.152 6.096 1.540 323 1HD1 LEU 42 1HD1 LEU 42 -3.478 3.270 0.819 324 2HD1 LEU 42 2HD1 LEU 42 -1.831 3.887 0.696 325 3HD1 LEU 42 3HD1 LEU 42 -3.135 4.672 -0.195 326 1HD2 LEU 42 1HD2 LEU 42 -4.364 4.651 3.600 327 2HD2 LEU 42 2HD2 LEU 42 -4.884 3.868 2.108 328 3HD2 LEU 42 3HD2 LEU 42 -5.162 5.595 2.341 329 H TYR 43 H TYR 43 -0.517 3.897 5.639 330 HA TYR 43 HA TYR 43 2.150 3.800 4.540 331 1HB TYR 43 1HB TYR 43 2.198 5.320 6.235 332 2HB TYR 43 2HB TYR 43 0.924 4.511 7.140 333 HD1 TYR 43 1HD TYR 43 4.530 4.680 6.516 334 HD2 TYR 43 2HD TYR 43 1.448 2.756 8.732 335 HE1 TYR 43 1HE TYR 43 6.219 3.740 8.038 336 HE2 TYR 43 2HE TYR 43 3.128 1.813 10.260 337 HH TYR 43 HH TYR 43 6.594 2.448 9.800 338 H ALA 44 H ALA 44 0.046 1.734 6.440 339 HA ALA 44 HA ALA 44 1.863 -0.135 7.388 340 1HB ALA 44 1HB ALA 44 -0.377 -0.231 8.154 341 2HB ALA 44 2HB ALA 44 -1.000 -0.454 6.519 342 3HB ALA 44 3HB ALA 44 -0.075 -1.741 7.293 343 H LEU 45 H LEU 45 0.135 -0.106 4.279 344 HA LEU 45 HA LEU 45 1.333 -2.499 3.320 345 1HB LEU 45 1HB LEU 45 -0.194 -0.261 2.040 346 2HB LEU 45 2HB LEU 45 0.539 -1.531 1.063 347 HG LEU 45 HG LEU 45 -1.660 -2.232 1.301 348 1HD1 LEU 45 1HD1 LEU 45 -0.435 -3.575 3.688 349 2HD1 LEU 45 2HD1 LEU 45 0.114 -3.902 2.045 350 3HD1 LEU 45 3HD1 LEU 45 -1.556 -4.241 2.501 351 1HD2 LEU 45 1HD2 LEU 45 -1.513 -1.439 4.207 352 2HD2 LEU 45 2HD2 LEU 45 -2.903 -2.180 3.415 353 3HD2 LEU 45 3HD2 LEU 45 -2.366 -0.571 2.930 354 H TYR 46 H TYR 46 1.979 0.944 2.739 355 HA TYR 46 HA TYR 46 3.906 0.865 0.827 356 1HB TYR 46 1HB TYR 46 3.329 3.001 1.585 357 2HB TYR 46 2HB TYR 46 3.625 2.589 3.271 358 HD1 TYR 46 1HD TYR 46 5.542 2.723 0.058 359 HD2 TYR 46 2HD TYR 46 5.494 3.521 4.237 360 HE1 TYR 46 1HE TYR 46 7.795 3.695 -0.108 361 HE2 TYR 46 2HE TYR 46 7.746 4.497 4.082 362 HH TYR 46 HH TYR 46 9.249 5.421 2.517 363 H LYS 47 H LYS 47 4.576 0.623 4.323 364 HA LYS 47 HA LYS 47 7.311 -0.058 3.960 365 1HB LYS 47 1HB LYS 47 5.500 -0.427 6.354 366 2HB LYS 47 2HB LYS 47 7.247 -0.628 6.375 367 1HG LYS 47 1HG LYS 47 5.963 1.946 5.526 368 2HG LYS 47 2HG LYS 47 6.301 1.579 7.220 369 1HD LYS 47 1HD LYS 47 8.472 1.267 5.195 370 2HD LYS 47 2HD LYS 47 8.047 2.884 5.763 371 1HE LYS 47 1HE LYS 47 8.470 2.226 8.052 372 2HE LYS 47 2HE LYS 47 8.779 0.565 7.549 373 1HZ LYS 47 1HZ LYS 47 10.769 1.166 6.532 374 2HZ LYS 47 2HZ LYS 47 10.774 2.065 7.965 375 3HZ LYS 47 3HZ LYS 47 10.383 2.813 6.499 376 H GLN 48 H GLN 48 4.451 -1.833 3.622 377 HA GLN 48 HA GLN 48 5.631 -4.399 4.286 378 1HB GLN 48 1HB GLN 48 3.183 -3.748 4.663 379 2HB GLN 48 2HB GLN 48 2.980 -3.953 2.928 380 1HG GLN 48 1HG GLN 48 2.373 -6.024 3.605 381 2HG GLN 48 2HG GLN 48 4.108 -6.288 3.440 382 1HE2 GLN 48 1HE2 GLN 48 3.925 -8.016 4.926 383 2HE2 GLN 48 2HE2 GLN 48 3.806 -7.719 6.623 384 H ALA 49 H ALA 49 5.011 -2.436 1.485 385 HA ALA 49 HA ALA 49 5.792 -4.634 -0.297 386 1HB ALA 49 1HB ALA 49 3.971 -2.429 -0.538 387 2HB ALA 49 2HB ALA 49 5.170 -2.373 -1.831 388 3HB ALA 49 3HB ALA 49 4.190 -3.821 -1.600 389 H THR 50 H THR 50 7.395 -2.561 1.485 390 HA THR 50 HA THR 50 9.450 -2.093 -0.568 391 HB THR 50 HB THR 50 10.058 0.023 0.626 392 HG1 THR 50 1HG THR 50 7.708 -0.660 2.044 393 1HG2 THR 50 1HG2 THR 50 8.949 0.530 -1.314 394 2HG2 THR 50 2HG2 THR 50 7.815 1.205 -0.143 395 3HG2 THR 50 3HG2 THR 50 7.509 -0.379 -0.856 396 H GLU 51 H GLU 51 8.708 -2.497 2.863 397 HA GLU 51 HA GLU 51 11.508 -3.275 3.328 398 1HB GLU 51 1HB GLU 51 9.461 -2.543 5.422 399 2HB GLU 51 2HB GLU 51 11.194 -2.739 5.645 400 1HG GLU 51 1HG GLU 51 10.093 -0.657 3.798 401 2HG GLU 51 2HG GLU 51 10.233 -0.368 5.532 402 H GLY 52 H GLY 52 8.149 -4.232 3.801 403 1HA GLY 52 1HA GLY 52 7.692 -6.632 3.470 404 2HA GLY 52 2HA GLY 52 9.115 -6.949 4.452 405 HA PRO 53 HA PRO 53 5.554 -7.377 7.299 406 1HB PRO 53 1HB PRO 53 6.706 -9.343 8.775 407 2HB PRO 53 2HB PRO 53 5.827 -9.659 7.275 408 1HG PRO 53 1HG PRO 53 8.777 -9.442 7.733 409 2HG PRO 53 2HG PRO 53 7.880 -10.616 6.751 410 1HD PRO 53 1HD PRO 53 9.150 -8.481 5.672 411 2HD PRO 53 2HD PRO 53 7.660 -9.156 4.981 412 H CYS 54 H CYS 54 5.312 -6.418 9.255 413 HA CYS 54 HA CYS 54 7.079 -4.597 10.255 414 1HB CYS 54 1HB CYS 54 4.827 -4.553 11.027 415 2HB CYS 54 2HB CYS 54 4.945 -6.183 11.679 416 HG CYS 54 HG CYS 54 6.748 -5.429 13.720 417 H ASN 55 H ASN 55 9.162 -5.028 10.670 418 HA ASN 55 HA ASN 55 9.761 -7.256 12.504 419 1HB ASN 55 1HB ASN 55 11.903 -7.514 11.444 420 2HB ASN 55 2HB ASN 55 10.676 -7.507 10.181 421 1HD2 ASN 55 1HD2 ASN 55 10.368 -5.534 8.983 422 2HD2 ASN 55 2HD2 ASN 55 11.700 -4.456 8.758 423 H MET 56 H MET 56 9.145 -4.274 12.872 424 HA MET 56 HA MET 56 11.625 -3.408 14.162 425 1HB MET 56 1HB MET 56 10.263 -1.262 14.507 426 2HB MET 56 2HB MET 56 10.743 -1.665 12.864 427 1HG MET 56 1HG MET 56 8.541 -2.503 12.376 428 2HG MET 56 2HG MET 56 8.044 -2.263 14.049 429 1HE MET 56 1HE MET 56 8.227 0.165 15.204 430 2HE MET 56 2HE MET 56 9.721 0.668 14.412 431 3HE MET 56 3HE MET 56 8.280 1.679 14.301 432 HA PRO 57 HA PRO 57 10.282 -4.277 18.248 433 1HB PRO 57 1HB PRO 57 11.347 -2.195 19.627 434 2HB PRO 57 2HB PRO 57 12.325 -3.509 18.964 435 1HG PRO 57 1HG PRO 57 11.830 -0.771 17.858 436 2HG PRO 57 2HG PRO 57 13.347 -1.687 17.942 437 1HD PRO 57 1HD PRO 57 11.874 -1.512 15.676 438 2HD PRO 57 2HD PRO 57 12.834 -2.949 16.082 439 H LYS 58 H LYS 58 8.456 -3.999 19.380 440 HA LYS 58 HA LYS 58 6.494 -2.156 18.659 441 1HB LYS 58 1HB LYS 58 6.190 -4.339 19.914 442 2HB LYS 58 2HB LYS 58 6.696 -3.481 21.364 443 1HG LYS 58 1HG LYS 58 4.776 -2.215 21.449 444 2HG LYS 58 2HG LYS 58 4.448 -2.405 19.725 445 1HD LYS 58 1HD LYS 58 3.647 -4.594 20.009 446 2HD LYS 58 2HD LYS 58 4.356 -4.736 21.619 447 1HE LYS 58 1HE LYS 58 2.148 -2.808 20.919 448 2HE LYS 58 2HE LYS 58 1.869 -4.420 21.577 449 1HZ LYS 58 1HZ LYS 58 1.840 -2.994 23.409 450 2HZ LYS 58 2HZ LYS 58 3.184 -2.115 22.881 451 3HZ LYS 58 3HZ LYS 58 3.380 -3.693 23.458 452 HA PRO 59 HA PRO 59 8.074 1.501 20.643 453 1HB PRO 59 1HB PRO 59 5.970 3.097 20.014 454 2HB PRO 59 2HB PRO 59 7.221 2.653 18.848 455 1HG PRO 59 1HG PRO 59 4.490 1.489 19.231 456 2HG PRO 59 2HG PRO 59 5.331 1.895 17.724 457 1HD PRO 59 1HD PRO 59 5.184 -0.637 18.674 458 2HD PRO 59 2HD PRO 59 6.580 -0.043 17.752 459 H GLY 60 H GLY 60 7.463 2.918 22.390 460 1HA GLY 60 1HA GLY 60 5.902 1.556 24.393 461 2HA GLY 60 2HA GLY 60 6.775 3.067 24.597 462 H VAL 61 H VAL 61 4.225 2.610 25.660 463 HA VAL 61 HA VAL 61 2.056 3.443 24.159 464 HB VAL 61 HB VAL 61 1.132 4.337 26.338 465 1HG1 VAL 61 1HG1 VAL 61 2.243 1.566 26.649 466 2HG1 VAL 61 2HG1 VAL 61 0.679 2.195 27.172 467 3HG1 VAL 61 3HG1 VAL 61 0.999 1.940 25.456 468 1HG2 VAL 61 1HG2 VAL 61 3.931 3.800 27.124 469 2HG2 VAL 61 2HG2 VAL 61 2.794 5.005 27.728 470 3HG2 VAL 61 3HG2 VAL 61 2.681 3.333 28.279 471 H PHE 62 H PHE 62 4.260 5.461 26.096 472 HA PHE 62 HA PHE 62 3.150 7.935 25.666 473 1HB PHE 62 1HB PHE 62 5.982 7.026 26.042 474 2HB PHE 62 2HB PHE 62 5.645 8.723 25.715 475 HD1 PHE 62 1HD PHE 62 4.835 5.944 28.032 476 HD2 PHE 62 2HD PHE 62 4.978 10.155 27.428 477 HE1 PHE 62 1HE PHE 62 4.344 6.299 30.417 478 HE2 PHE 62 2HE PHE 62 4.488 10.517 29.812 479 HZ PHE 62 HZ PHE 62 4.171 8.588 31.310 480 H ASP 63 H ASP 63 4.733 5.894 23.393 481 HA ASP 63 HA ASP 63 5.075 8.060 21.463 482 1HB ASP 63 1HB ASP 63 6.073 5.266 21.703 483 2HB ASP 63 2HB ASP 63 5.878 5.920 20.080 484 H LEU 64 H LEU 64 2.690 8.342 21.425 485 HA LEU 64 HA LEU 64 0.967 6.364 20.392 486 1HB LEU 64 1HB LEU 64 0.526 9.295 19.971 487 2HB LEU 64 2HB LEU 64 -0.661 8.026 20.266 488 HG LEU 64 HG LEU 64 1.232 9.220 22.289 489 1HD1 LEU 64 1HD1 LEU 64 -1.456 9.435 23.067 490 2HD1 LEU 64 2HD1 LEU 64 -1.383 9.954 21.384 491 3HD1 LEU 64 3HD1 LEU 64 -0.359 10.732 22.591 492 1HD2 LEU 64 1HD2 LEU 64 0.597 7.662 23.817 493 2HD2 LEU 64 2HD2 LEU 64 0.476 6.672 22.363 494 3HD2 LEU 64 3HD2 LEU 64 -0.974 7.395 23.060 495 H ILE 65 H ILE 65 2.963 8.820 18.862 496 HA ILE 65 HA ILE 65 1.910 8.675 16.269 497 HB ILE 65 HB ILE 65 4.781 9.223 17.031 498 1HG1 ILE 65 1HG1 ILE 65 3.329 10.716 18.259 499 2HG1 ILE 65 2HG1 ILE 65 4.080 11.616 16.946 500 1HG2 ILE 65 1HG2 ILE 65 4.435 8.763 14.647 501 2HG2 ILE 65 2HG2 ILE 65 3.211 10.029 14.587 502 3HG2 ILE 65 3HG2 ILE 65 4.890 10.442 14.931 503 1HD1 ILE 65 1HD1 ILE 65 2.031 11.399 15.635 504 2HD1 ILE 65 2HD1 ILE 65 1.281 10.516 16.964 505 3HD1 ILE 65 3HD1 ILE 65 1.745 12.204 17.177 506 H ASN 66 H ASN 66 4.663 6.939 17.715 507 HA ASN 66 HA ASN 66 5.124 5.347 15.390 508 1HB ASN 66 1HB ASN 66 6.083 5.059 18.244 509 2HB ASN 66 2HB ASN 66 6.628 4.041 16.914 510 1HD2 ASN 66 1HD2 ASN 66 6.654 7.252 18.265 511 2HD2 ASN 66 2HD2 ASN 66 7.990 7.843 17.342 512 H LYS 67 H LYS 67 3.442 4.854 18.455 513 HA LYS 67 HA LYS 67 2.905 2.118 18.191 514 1HB LYS 67 1HB LYS 67 2.551 3.690 20.212 515 2HB LYS 67 2HB LYS 67 0.989 4.042 19.485 516 1HG LYS 67 1HG LYS 67 0.742 2.334 21.160 517 2HG LYS 67 2HG LYS 67 0.438 1.645 19.563 518 1HD LYS 67 1HD LYS 67 2.424 0.450 19.558 519 2HD LYS 67 2HD LYS 67 3.177 1.504 20.758 520 1HE LYS 67 1HE LYS 67 2.599 -0.723 21.658 521 2HE LYS 67 2HE LYS 67 1.779 0.591 22.499 522 1HZ LYS 67 1HZ LYS 67 0.649 -1.619 21.177 523 2HZ LYS 67 2HZ LYS 67 0.132 -0.207 20.404 524 3HZ LYS 67 3HZ LYS 67 -0.131 -0.407 22.064 525 H ALA 68 H ALA 68 1.095 4.953 17.085 526 HA ALA 68 HA ALA 68 -1.201 3.675 16.164 527 1HB ALA 68 1HB ALA 68 -0.642 6.192 16.340 528 2HB ALA 68 2HB ALA 68 -0.027 6.005 14.698 529 3HB ALA 68 3HB ALA 68 -1.716 5.644 15.053 530 H LYS 69 H LYS 69 1.864 4.303 14.491 531 HA LYS 69 HA LYS 69 1.027 3.138 12.027 532 1HB LYS 69 1HB LYS 69 3.581 4.154 13.164 533 2HB LYS 69 2HB LYS 69 3.690 3.041 11.807 534 1HG LYS 69 1HG LYS 69 3.637 5.022 10.690 535 2HG LYS 69 2HG LYS 69 1.908 4.671 10.760 536 1HD LYS 69 1HD LYS 69 1.730 6.083 12.774 537 2HD LYS 69 2HD LYS 69 3.447 6.468 12.634 538 1HE LYS 69 1HE LYS 69 1.635 6.945 10.309 539 2HE LYS 69 2HE LYS 69 1.637 8.085 11.654 540 1HZ LYS 69 1HZ LYS 69 4.235 7.311 10.585 541 2HZ LYS 69 2HZ LYS 69 3.702 8.812 11.156 542 3HZ LYS 69 3HZ LYS 69 3.277 8.299 9.601 543 H TRP 70 H TRP 70 3.199 2.015 14.618 544 HA TRP 70 HA TRP 70 3.974 -0.412 13.708 545 1HB TRP 70 1HB TRP 70 4.399 0.681 15.999 546 2HB TRP 70 2HB TRP 70 2.929 -0.138 16.519 547 HD1 TRP 70 HD TRP 70 6.515 -0.887 15.366 548 HE1 TRP 70 1HE TRP 70 7.129 -3.271 16.115 549 HE3 TRP 70 3HE TRP 70 1.959 -2.378 17.142 550 HZ2 TRP 70 2HZ TRP 70 5.851 -5.491 17.301 551 HZ3 TRP 70 3HZ TRP 70 1.739 -4.648 18.066 552 HH2 TRP 70 HH TRP 70 3.646 -6.171 18.143 553 H ASP 71 H ASP 71 0.842 0.305 15.212 554 HA ASP 71 HA ASP 71 -0.151 -2.345 15.069 555 1HB ASP 71 1HB ASP 71 -1.392 0.351 15.493 556 2HB ASP 71 2HB ASP 71 -2.422 -1.052 15.224 557 H ALA 72 H ALA 72 -0.079 0.323 12.823 558 HA ALA 72 HA ALA 72 -2.014 -0.756 11.013 559 1HB ALA 72 1HB ALA 72 -1.772 1.167 9.868 560 2HB ALA 72 2HB ALA 72 -0.937 1.699 11.328 561 3HB ALA 72 3HB ALA 72 -0.010 1.117 9.945 562 H TRP 73 H TRP 73 1.538 -0.625 11.062 563 HA TRP 73 HA TRP 73 1.803 -2.134 8.641 564 1HB TRP 73 1HB TRP 73 3.505 -0.495 9.411 565 2HB TRP 73 2HB TRP 73 3.883 -1.560 10.763 566 HD1 TRP 73 HD TRP 73 3.256 -3.517 7.668 567 HE1 TRP 73 1HE TRP 73 5.483 -4.307 6.648 568 HE3 TRP 73 3HE TRP 73 6.471 -0.643 10.414 569 HZ2 TRP 73 2HZ TRP 73 8.238 -3.781 6.965 570 HZ3 TRP 73 3HZ TRP 73 8.887 -0.847 9.994 571 HH2 TRP 73 HH TRP 73 9.750 -2.385 8.305 572 H ASN 74 H ASN 74 1.733 -2.862 12.060 573 HA ASN 74 HA ASN 74 2.761 -5.504 11.871 574 1HB ASN 74 1HB ASN 74 2.820 -4.422 14.005 575 2HB ASN 74 2HB ASN 74 1.085 -4.121 13.969 576 1HD2 ASN 74 1HD2 ASN 74 0.695 -5.176 15.885 577 2HD2 ASN 74 2HD2 ASN 74 0.807 -6.892 16.048 578 H ALA 75 H ALA 75 -0.518 -4.163 11.914 579 HA ALA 75 HA ALA 75 -2.054 -6.417 12.063 580 1HB ALA 75 1HB ALA 75 -3.664 -4.936 11.703 581 2HB ALA 75 2HB ALA 75 -2.444 -3.742 11.258 582 3HB ALA 75 3HB ALA 75 -3.168 -4.767 10.018 583 H LEU 76 H LEU 76 0.061 -5.492 9.502 584 HA LEU 76 HA LEU 76 -1.120 -7.067 7.441 585 1HB LEU 76 1HB LEU 76 1.515 -5.713 7.826 586 2HB LEU 76 2HB LEU 76 1.296 -6.842 6.490 587 HG LEU 76 HG LEU 76 0.986 -4.338 6.031 588 1HD1 LEU 76 1HD1 LEU 76 0.280 -5.412 4.202 589 2HD1 LEU 76 2HD1 LEU 76 -1.340 -5.099 4.822 590 3HD1 LEU 76 3HD1 LEU 76 -0.561 -6.650 5.135 591 1HD2 LEU 76 1HD2 LEU 76 -1.229 -3.448 6.492 592 2HD2 LEU 76 2HD2 LEU 76 -0.403 -3.863 7.994 593 3HD2 LEU 76 3HD2 LEU 76 -1.660 -4.924 7.356 594 H GLY 77 H GLY 77 1.588 -7.579 9.683 595 1HA GLY 77 1HA GLY 77 2.352 -9.580 10.573 596 2HA GLY 77 2HA GLY 77 1.143 -10.428 9.620 597 H SER 78 H SER 78 2.046 -11.834 8.288 598 HA SER 78 HA SER 78 4.744 -11.345 7.285 599 1HB SER 78 1HB SER 78 2.999 -13.815 7.123 600 2HB SER 78 2HB SER 78 4.668 -13.709 6.563 601 HG SER 78 HG SER 78 3.900 -13.146 9.230 602 H LEU 79 H LEU 79 2.409 -9.872 6.271 603 HA LEU 79 HA LEU 79 1.528 -10.802 3.793 604 1HB LEU 79 1HB LEU 79 0.798 -8.755 5.207 605 2HB LEU 79 2HB LEU 79 2.041 -7.897 4.300 606 HG LEU 79 HG LEU 79 -0.234 -7.588 3.385 607 1HD1 LEU 79 1HD1 LEU 79 1.778 -7.411 1.968 608 2HD1 LEU 79 2HD1 LEU 79 0.356 -7.952 1.076 609 3HD1 LEU 79 3HD1 LEU 79 1.599 -9.113 1.541 610 1HD2 LEU 79 1HD2 LEU 79 -1.630 -9.287 3.094 611 2HD2 LEU 79 2HD2 LEU 79 -0.421 -10.359 3.800 612 3HD2 LEU 79 3HD2 LEU 79 -0.471 -10.115 2.053 613 HA PRO 80 HA PRO 80 5.333 -10.625 1.493 614 1HB PRO 80 1HB PRO 80 4.255 -11.343 -0.893 615 2HB PRO 80 2HB PRO 80 4.577 -12.501 0.403 616 1HG PRO 80 1HG PRO 80 2.001 -11.180 -0.361 617 2HG PRO 80 2HG PRO 80 2.303 -12.869 0.085 618 1HD PRO 80 1HD PRO 80 1.271 -11.066 1.822 619 2HD PRO 80 2HD PRO 80 2.318 -12.402 2.342 620 H LYS 81 H LYS 81 6.235 -9.386 -0.233 621 HA LYS 81 HA LYS 81 5.405 -6.730 -0.358 622 1HB LYS 81 1HB LYS 81 7.119 -8.230 -2.347 623 2HB LYS 81 2HB LYS 81 7.027 -6.481 -2.186 624 1HG LYS 81 1HG LYS 81 7.805 -8.129 0.173 625 2HG LYS 81 2HG LYS 81 8.986 -7.807 -1.098 626 1HD LYS 81 1HD LYS 81 8.107 -5.328 -0.772 627 2HD LYS 81 2HD LYS 81 7.705 -5.942 0.833 628 1HE LYS 81 1HE LYS 81 9.883 -5.020 0.985 629 2HE LYS 81 2HE LYS 81 10.078 -6.772 0.984 630 1HZ LYS 81 1HZ LYS 81 10.181 -5.458 -1.610 631 2HZ LYS 81 2HZ LYS 81 11.097 -6.748 -1.012 632 3HZ LYS 81 3HZ LYS 81 11.485 -5.161 -0.573 633 H GLU 82 H GLU 82 4.947 -9.352 -2.711 634 HA GLU 82 HA GLU 82 3.756 -8.002 -4.775 635 1HB GLU 82 1HB GLU 82 3.096 -10.733 -3.670 636 2HB GLU 82 2HB GLU 82 2.462 -10.124 -5.192 637 1HG GLU 82 1HG GLU 82 4.250 -11.291 -5.960 638 2HG GLU 82 2HG GLU 82 5.011 -9.721 -5.706 639 H ALA 83 H ALA 83 1.898 -9.658 -2.217 640 HA ALA 83 HA ALA 83 -0.568 -8.504 -2.855 641 1HB ALA 83 1HB ALA 83 0.527 -9.830 -0.410 642 2HB ALA 83 2HB ALA 83 -1.068 -9.076 -0.369 643 3HB ALA 83 3HB ALA 83 -0.737 -10.376 -1.513 644 H ALA 84 H ALA 84 1.954 -7.465 -0.603 645 HA ALA 84 HA ALA 84 0.698 -5.447 0.759 646 1HB ALA 84 1HB ALA 84 3.470 -6.009 -0.030 647 2HB ALA 84 2HB ALA 84 3.131 -4.323 0.360 648 3HB ALA 84 3HB ALA 84 2.799 -5.586 1.545 649 H ARG 85 H ARG 85 2.379 -5.116 -2.369 650 HA ARG 85 HA ARG 85 1.743 -2.408 -2.766 651 1HB ARG 85 1HB ARG 85 2.677 -4.645 -4.496 652 2HB ARG 85 2HB ARG 85 2.031 -3.214 -5.289 653 1HG ARG 85 1HG ARG 85 3.668 -1.911 -3.786 654 2HG ARG 85 2HG ARG 85 4.454 -3.475 -3.556 655 1HD ARG 85 1HD ARG 85 4.309 -3.565 -6.179 656 2HD ARG 85 2HD ARG 85 4.202 -1.812 -6.017 657 HE ARG 85 HE ARG 85 6.345 -2.413 -4.501 658 1HH1 ARG 85 2HH1 ARG 85 5.439 -3.270 -7.751 659 2HH1 ARG 85 1HH1 ARG 85 7.072 -3.380 -8.317 660 1HH2 ARG 85 2HH2 ARG 85 8.500 -2.556 -5.233 661 2HH2 ARG 85 1HH2 ARG 85 8.813 -2.975 -6.884 662 H GLN 86 H GLN 86 0.086 -5.377 -3.742 663 HA GLN 86 HA GLN 86 -1.904 -4.182 -5.325 664 1HB GLN 86 1HB GLN 86 -1.608 -6.524 -5.525 665 2HB GLN 86 2HB GLN 86 -1.802 -6.774 -3.795 666 1HG GLN 86 1HG GLN 86 -3.796 -7.529 -4.732 667 2HG GLN 86 2HG GLN 86 -4.180 -5.929 -4.101 668 1HE2 GLN 86 1HE2 GLN 86 -4.156 -4.145 -5.643 669 2HE2 GLN 86 2HE2 GLN 86 -4.637 -4.448 -7.275 670 H ASN 87 H ASN 87 -1.704 -4.799 -1.864 671 HA ASN 87 HA ASN 87 -4.389 -4.147 -1.251 672 1HB ASN 87 1HB ASN 87 -1.867 -4.210 0.404 673 2HB ASN 87 2HB ASN 87 -3.431 -3.782 1.090 674 1HD2 ASN 87 1HD2 ASN 87 -1.369 -6.296 0.102 675 2HD2 ASN 87 2HD2 ASN 87 -2.433 -7.616 0.433 676 H TYR 88 H TYR 88 -1.389 -2.249 -1.174 677 HA TYR 88 HA TYR 88 -2.406 0.122 -0.152 678 1HB TYR 88 1HB TYR 88 0.000 -0.334 -0.507 679 2HB TYR 88 2HB TYR 88 -0.239 -0.174 -2.243 680 HD1 TYR 88 1HD TYR 88 0.582 1.531 0.753 681 HD2 TYR 88 2HD TYR 88 -1.205 2.092 -3.067 682 HE1 TYR 88 1HE TYR 88 0.983 3.951 0.928 683 HE2 TYR 88 2HE TYR 88 -0.809 4.514 -2.903 684 HH TYR 88 HH TYR 88 -0.438 6.158 -0.499 685 H VAL 89 H VAL 89 -2.157 -0.906 -3.547 686 HA VAL 89 HA VAL 89 -3.357 1.431 -4.617 687 HB VAL 89 HB VAL 89 -3.647 0.078 -6.686 688 1HG1 VAL 89 1HG1 VAL 89 -0.882 -0.448 -5.698 689 2HG1 VAL 89 2HG1 VAL 89 -1.421 0.188 -7.254 690 3HG1 VAL 89 3HG1 VAL 89 -1.454 1.216 -5.821 691 1HG2 VAL 89 1HG2 VAL 89 -2.663 -2.192 -6.728 692 2HG2 VAL 89 2HG2 VAL 89 -2.503 -2.126 -4.973 693 3HG2 VAL 89 3HG2 VAL 89 -4.103 -2.084 -5.715 694 H ASP 90 H ASP 90 -4.620 -1.809 -3.895 695 HA ASP 90 HA ASP 90 -7.186 -1.571 -4.854 696 1HB ASP 90 1HB ASP 90 -6.020 -3.565 -3.685 697 2HB ASP 90 2HB ASP 90 -6.655 -2.873 -2.196 698 H LEU 91 H LEU 91 -5.789 -0.137 -1.996 699 HA LEU 91 HA LEU 91 -8.278 0.647 -0.820 700 1HB LEU 91 1HB LEU 91 -6.217 0.320 0.486 701 2HB LEU 91 2HB LEU 91 -5.495 1.703 -0.333 702 HG LEU 91 HG LEU 91 -6.333 2.127 1.999 703 1HD1 LEU 91 1HD1 LEU 91 -6.064 3.813 0.034 704 2HD1 LEU 91 2HD1 LEU 91 -6.890 4.307 1.512 705 3HD1 LEU 91 3HD1 LEU 91 -7.827 3.864 0.085 706 1HD2 LEU 91 1HD2 LEU 91 -8.381 0.755 1.799 707 2HD2 LEU 91 2HD2 LEU 91 -9.038 1.947 0.677 708 3HD2 LEU 91 3HD2 LEU 91 -8.703 2.400 2.349 709 H VAL 92 H VAL 92 -5.643 2.588 -2.250 710 HA VAL 92 HA VAL 92 -6.883 5.025 -2.362 711 HB VAL 92 HB VAL 92 -5.070 3.871 -4.487 712 1HG1 VAL 92 1HG1 VAL 92 -5.233 5.809 -5.555 713 2HG1 VAL 92 2HG1 VAL 92 -6.464 6.326 -4.402 714 3HG1 VAL 92 3HG1 VAL 92 -4.763 6.679 -4.095 715 1HG2 VAL 92 1HG2 VAL 92 -3.353 5.246 -3.167 716 2HG2 VAL 92 2HG2 VAL 92 -4.538 5.222 -1.860 717 3HG2 VAL 92 3HG2 VAL 92 -3.879 3.708 -2.481 718 H SER 93 H SER 93 -7.380 2.263 -4.454 719 HA SER 93 HA SER 93 -8.871 3.648 -6.450 720 1HB SER 93 1HB SER 93 -7.689 1.368 -6.649 721 2HB SER 93 2HB SER 93 -9.119 0.702 -5.861 722 HG SER 93 HG SER 93 -9.059 0.804 -8.271 723 H SER 94 H SER 94 -9.652 2.126 -3.413 724 HA SER 94 HA SER 94 -12.448 1.903 -3.802 725 1HB SER 94 1HB SER 94 -11.369 0.628 -2.051 726 2HB SER 94 2HB SER 94 -10.808 2.105 -1.266 727 HG SER 94 HG SER 94 -13.148 2.621 -1.121 728 H LEU 95 H LEU 95 -10.422 4.400 -2.307 729 HA LEU 95 HA LEU 95 -12.519 6.081 -1.474 730 1HB LEU 95 1HB LEU 95 -9.693 6.799 -2.238 731 2HB LEU 95 2HB LEU 95 -10.807 7.833 -1.346 732 HG LEU 95 HG LEU 95 -9.944 5.151 -0.301 733 1HD1 LEU 95 1HD1 LEU 95 -8.554 7.098 1.105 734 2HD1 LEU 95 2HD1 LEU 95 -8.354 7.547 -0.589 735 3HD1 LEU 95 3HD1 LEU 95 -7.882 5.938 -0.042 736 1HD2 LEU 95 1HD2 LEU 95 -10.524 7.362 1.520 737 2HD2 LEU 95 2HD2 LEU 95 -11.089 5.691 1.545 738 3HD2 LEU 95 3HD2 LEU 95 -11.895 6.880 0.520 739 H SER 96 H SER 96 -10.630 5.970 -4.465 740 HA SER 96 HA SER 96 -11.759 8.280 -5.638 741 1HB SER 96 1HB SER 96 -10.472 5.861 -6.926 742 2HB SER 96 2HB SER 96 -10.858 7.360 -7.770 743 HG SER 96 HG SER 96 -9.524 8.251 -5.842 744 HA PRO 97 HA PRO 97 -15.718 6.937 -6.983 745 1HB PRO 97 1HB PRO 97 -16.006 8.413 -9.243 746 2HB PRO 97 2HB PRO 97 -16.094 9.112 -7.622 747 1HG PRO 97 1HG PRO 97 -13.804 9.079 -9.550 748 2HG PRO 97 2HG PRO 97 -14.390 10.407 -8.530 749 1HD PRO 97 1HD PRO 97 -12.235 8.906 -7.871 750 2HD PRO 97 2HD PRO 97 -13.321 9.605 -6.653 751 H SER 98 H SER 98 -13.245 7.065 -9.539 752 HA SER 98 HA SER 98 -13.811 4.376 -10.348 753 1HB SER 98 1HB SER 98 -15.648 5.675 -11.465 754 2HB SER 98 2HB SER 98 -14.410 6.559 -12.357 755 HG SER 98 HG SER 98 -15.269 3.926 -12.629 756 H LEU 99 H LEU 99 -12.176 3.495 -11.583 757 HA LEU 99 HA LEU 99 -10.022 5.290 -12.453 758 1HB LEU 99 1HB LEU 99 -9.881 3.069 -10.490 759 2HB LEU 99 2HB LEU 99 -8.538 3.245 -11.619 760 HG LEU 99 HG LEU 99 -9.503 5.373 -9.708 761 1HD1 LEU 99 1HD1 LEU 99 -8.457 3.465 -8.571 762 2HD1 LEU 99 2HD1 LEU 99 -7.470 4.923 -8.468 763 3HD1 LEU 99 3HD1 LEU 99 -7.036 3.643 -9.601 764 1HD2 LEU 99 1HD2 LEU 99 -7.855 5.482 -12.048 765 2HD2 LEU 99 2HD2 LEU 99 -6.888 5.854 -10.621 766 3HD2 LEU 99 3HD2 LEU 99 -8.345 6.786 -10.967 767 H GLU 100 H GLU 100 -9.001 4.703 -14.313 768 HA GLU 100 HA GLU 100 -9.565 2.067 -15.454 769 1HB GLU 100 1HB GLU 100 -11.193 3.917 -16.262 770 2HB GLU 100 2HB GLU 100 -9.814 4.517 -17.174 771 1HG GLU 100 1HG GLU 100 -9.631 2.186 -18.152 772 2HG GLU 100 2HG GLU 100 -11.220 1.882 -17.452 773 H SER 101 H SER 101 -7.671 1.186 -15.915 774 HA SER 101 HA SER 101 -5.259 2.656 -16.088 775 1HB SER 101 1HB SER 101 -4.276 0.464 -16.821 776 2HB SER 101 2HB SER 101 -5.196 0.372 -15.320 777 HG SER 101 HG SER 101 -5.592 -0.945 -17.623 778 H SER 102 H SER 102 -4.242 3.555 -17.768 779 HA SER 102 HA SER 102 -5.554 3.518 -20.357 780 1HB SER 102 1HB SER 102 -3.850 5.260 -20.937 781 2HB SER 102 2HB SER 102 -4.840 5.675 -19.538 782 HG SER 102 HG SER 102 -2.155 5.305 -19.706 783 H SER 103 H SER 103 -2.331 2.790 -19.043 784 HA SER 103 HA SER 103 -1.829 1.148 -21.439 785 1HB SER 103 1HB SER 103 0.244 2.564 -19.747 786 2HB SER 103 2HB SER 103 0.541 1.647 -21.224 787 HG SER 103 HG SER 103 0.390 3.638 -21.999 788 H GLN 104 H GLN 104 -1.806 -0.949 -21.018 789 HA GLN 104 HA GLN 104 -1.568 -1.923 -18.314 790 1HB GLN 104 1HB GLN 104 -3.181 -2.961 -19.801 791 2HB GLN 104 2HB GLN 104 -1.910 -3.370 -20.945 792 1HG GLN 104 1HG GLN 104 -2.300 -5.364 -19.844 793 2HG GLN 104 2HG GLN 104 -0.886 -4.714 -19.015 794 1HE2 GLN 104 1HE2 GLN 104 -3.648 -6.282 -18.493 795 2HE2 GLN 104 2HE2 GLN 104 -4.030 -5.739 -16.898 796 H VAL 105 H VAL 105 0.424 -1.907 -17.466 797 HA VAL 105 HA VAL 105 2.686 -2.784 -19.115 798 HB VAL 105 HB VAL 105 2.684 -1.451 -16.403 799 1HG1 VAL 105 1HG1 VAL 105 4.824 -2.599 -18.105 800 2HG1 VAL 105 2HG1 VAL 105 5.166 -1.078 -17.279 801 3HG1 VAL 105 3HG1 VAL 105 4.700 -2.503 -16.349 802 1HG2 VAL 105 1HG2 VAL 105 3.354 -0.339 -19.127 803 2HG2 VAL 105 2HG2 VAL 105 1.901 0.023 -18.196 804 3HG2 VAL 105 3HG2 VAL 105 3.481 0.524 -17.595 805 H GLU 106 H GLU 106 3.031 -4.908 -19.045 806 HA GLU 106 HA GLU 106 2.894 -6.249 -16.424 807 1HB GLU 106 1HB GLU 106 1.190 -6.834 -18.367 808 2HB GLU 106 2HB GLU 106 2.536 -7.805 -18.945 809 1HG GLU 106 1HG GLU 106 1.570 -8.032 -16.123 810 2HG GLU 106 2HG GLU 106 0.782 -8.907 -17.435 811 HA PRO 107 HA PRO 107 7.250 -6.544 -17.841 812 1HB PRO 107 1HB PRO 107 8.288 -6.445 -15.334 813 2HB PRO 107 2HB PRO 107 7.861 -4.998 -16.254 814 1HG PRO 107 1HG PRO 107 6.318 -6.400 -14.106 815 2HG PRO 107 2HG PRO 107 6.571 -4.662 -14.348 816 1HD PRO 107 1HD PRO 107 4.287 -5.919 -15.080 817 2HD PRO 107 2HD PRO 107 4.934 -4.522 -15.965 818 H GLY 108 H GLY 108 8.426 -8.382 -18.017 819 1HA GLY 108 1HA GLY 108 9.140 -10.371 -16.507 820 2HA GLY 108 2HA GLY 108 7.423 -10.737 -16.574 821 H THR 109 H THR 109 10.439 -10.984 -18.158 822 HA THR 109 HA THR 109 9.127 -12.295 -20.450 823 HB THR 109 HB THR 109 11.198 -11.699 -21.766 824 HG1 THR 109 1HG THR 109 12.650 -10.349 -20.906 825 1HG2 THR 109 1HG2 THR 109 10.455 -9.088 -21.615 826 2HG2 THR 109 2HG2 THR 109 9.058 -9.883 -20.889 827 3HG2 THR 109 3HG2 THR 109 9.577 -10.323 -22.516 828 H ASP 110 H ASP 110 9.380 -14.419 -20.265 829 HA ASP 110 HA ASP 110 11.356 -15.661 -18.671 830 1HB ASP 110 1HB ASP 110 10.582 -17.766 -19.840 831 2HB ASP 110 2HB ASP 110 9.315 -16.838 -19.041 832 H SER 111 H SER 111 11.026 -15.330 -22.196 833 HA SER 111 HA SER 111 13.426 -16.686 -22.827 834 1HB SER 111 1HB SER 111 11.916 -14.615 -24.440 835 2HB SER 111 2HB SER 111 13.160 -15.696 -25.068 836 HG SER 111 HG SER 111 10.520 -16.205 -24.440 837 H GLY 112 H GLY 112 15.397 -15.785 -23.678 838 1HA GLY 112 1HA GLY 112 16.950 -14.022 -23.981 839 2HA GLY 112 2HA GLY 112 15.945 -12.996 -22.969 840 HA PRO 113 HA PRO 113 19.243 -15.612 -20.527 841 1HB PRO 113 1HB PRO 113 21.660 -14.659 -21.314 842 2HB PRO 113 2HB PRO 113 20.903 -16.080 -22.044 843 1HG PRO 113 1HG PRO 113 20.977 -13.255 -23.032 844 2HG PRO 113 2HG PRO 113 21.204 -14.763 -23.937 845 1HD PRO 113 1HD PRO 113 18.868 -13.393 -23.952 846 2HD PRO 113 2HD PRO 113 18.938 -15.162 -24.087 847 H SER 114 H SER 114 18.570 -14.439 -18.764 848 HA SER 114 HA SER 114 20.245 -12.234 -17.972 849 1HB SER 114 1HB SER 114 18.618 -10.967 -19.223 850 2HB SER 114 2HB SER 114 17.285 -11.812 -18.437 851 HG SER 114 HG SER 114 17.420 -10.035 -17.244 852 H SER 115 H SER 115 20.838 -13.063 -16.069 853 HA SER 115 HA SER 115 19.672 -14.868 -14.451 854 1HB SER 115 1HB SER 115 21.868 -13.889 -13.977 855 2HB SER 115 2HB SER 115 21.103 -12.371 -13.505 856 HG SER 115 HG SER 115 21.306 -14.765 -12.128 857 H GLY 116 H GLY 116 19.125 -11.355 -14.129 858 1HA GLY 116 1HA GLY 116 16.765 -11.932 -12.478 859 2HA GLY 116 2HA GLY 116 17.574 -10.377 -12.606 Start of MODEL 10 1 1H GLY 1 H GLY 1 -12.660 -23.084 4.539 2 1HA GLY 1 1HA GLY 1 -11.123 -20.780 5.332 3 2HA GLY 1 2HA GLY 1 -10.130 -22.186 4.976 4 H SER 2 H SER 2 -10.732 -23.278 2.821 5 HA SER 2 HA SER 2 -11.334 -21.213 0.810 6 1HB SER 2 1HB SER 2 -9.024 -23.124 0.938 7 2HB SER 2 2HB SER 2 -9.627 -22.582 -0.627 8 HG SER 2 HG SER 2 -8.342 -21.142 1.390 9 H SER 3 H SER 3 -12.542 -21.839 -0.934 10 HA SER 3 HA SER 3 -13.496 -24.629 -0.928 11 1HB SER 3 1HB SER 3 -15.673 -23.791 -1.715 12 2HB SER 3 2HB SER 3 -15.245 -23.086 -0.156 13 HG SER 3 HG SER 3 -14.886 -21.844 -2.685 14 H GLY 4 H GLY 4 -12.701 -21.798 -2.875 15 1HA GLY 4 1HA GLY 4 -11.374 -22.270 -4.902 16 2HA GLY 4 2HA GLY 4 -12.494 -23.586 -5.220 17 H SER 5 H SER 5 -11.911 -20.197 -5.483 18 HA SER 5 HA SER 5 -14.585 -19.689 -6.543 19 1HB SER 5 1HB SER 5 -13.978 -17.342 -6.505 20 2HB SER 5 2HB SER 5 -13.542 -18.067 -4.958 21 HG SER 5 HG SER 5 -11.823 -17.437 -7.122 22 H SER 6 H SER 6 -11.188 -19.443 -7.551 23 HA SER 6 HA SER 6 -11.346 -18.453 -10.056 24 1HB SER 6 1HB SER 6 -9.643 -20.581 -8.847 25 2HB SER 6 2HB SER 6 -9.572 -20.370 -10.597 26 HG SER 6 HG SER 6 -9.187 -18.089 -10.120 27 H GLY 7 H GLY 7 -12.137 -19.007 -12.009 28 1HA GLY 7 1HA GLY 7 -13.035 -21.758 -12.463 29 2HA GLY 7 2HA GLY 7 -14.235 -20.479 -12.571 30 H MET 8 H MET 8 -13.119 -18.502 -13.922 31 HA MET 8 HA MET 8 -12.183 -19.731 -16.431 32 1HB MET 8 1HB MET 8 -14.564 -18.826 -16.412 33 2HB MET 8 2HB MET 8 -13.852 -17.226 -16.263 34 1HG MET 8 1HG MET 8 -12.760 -17.439 -18.375 35 2HG MET 8 2HG MET 8 -13.232 -19.132 -18.502 36 1HE MET 8 1HE MET 8 -15.346 -20.013 -19.289 37 2HE MET 8 2HE MET 8 -16.278 -19.410 -17.919 38 3HE MET 8 3HE MET 8 -16.844 -19.122 -19.565 39 H ASN 9 H ASN 9 -12.375 -16.548 -14.823 40 HA ASN 9 HA ASN 9 -9.568 -16.101 -15.581 41 1HB ASN 9 1HB ASN 9 -11.933 -14.300 -15.992 42 2HB ASN 9 2HB ASN 9 -10.330 -13.608 -15.756 43 1HD2 ASN 9 1HD2 ASN 9 -8.624 -14.924 -17.127 44 2HD2 ASN 9 2HD2 ASN 9 -9.049 -15.084 -18.794 45 H ARG 10 H ARG 10 -8.300 -15.519 -13.940 46 HA ARG 10 HA ARG 10 -9.125 -15.500 -11.295 47 1HB ARG 10 1HB ARG 10 -6.770 -15.772 -12.162 48 2HB ARG 10 2HB ARG 10 -6.712 -14.024 -12.350 49 1HG ARG 10 1HG ARG 10 -6.764 -13.650 -10.057 50 2HG ARG 10 2HG ARG 10 -7.398 -15.260 -9.713 51 1HD ARG 10 1HD ARG 10 -5.286 -16.264 -10.314 52 2HD ARG 10 2HD ARG 10 -4.648 -14.698 -10.815 53 HE ARG 10 HE ARG 10 -4.888 -15.700 -8.123 54 1HH1 ARG 10 2HH1 ARG 10 -4.571 -12.876 -10.135 55 2HH1 ARG 10 1HH1 ARG 10 -3.897 -11.895 -8.876 56 1HH2 ARG 10 2HH2 ARG 10 -4.001 -14.418 -6.458 57 2HH2 ARG 10 1HH2 ARG 10 -3.572 -12.773 -6.785 58 H THR 11 H THR 11 -10.012 -14.036 -9.978 59 HA THR 11 HA THR 11 -10.697 -11.430 -11.070 60 HB THR 11 HB THR 11 -12.016 -11.198 -8.926 61 HG1 THR 11 1HG THR 11 -11.710 -13.971 -8.577 62 1HG2 THR 11 1HG2 THR 11 -13.662 -11.912 -10.246 63 2HG2 THR 11 2HG2 THR 11 -13.265 -13.575 -9.815 64 3HG2 THR 11 3HG2 THR 11 -12.512 -12.824 -11.221 65 H ALA 12 H ALA 12 -8.518 -10.580 -11.030 66 HA ALA 12 HA ALA 12 -8.008 -9.039 -8.695 67 1HB ALA 12 1HB ALA 12 -6.644 -11.597 -8.948 68 2HB ALA 12 2HB ALA 12 -5.532 -10.237 -8.785 69 3HB ALA 12 3HB ALA 12 -6.773 -10.512 -7.563 70 H MET 13 H MET 13 -7.036 -7.204 -9.294 71 HA MET 13 HA MET 13 -5.943 -7.051 -12.000 72 1HB MET 13 1HB MET 13 -6.685 -4.876 -10.035 73 2HB MET 13 2HB MET 13 -6.082 -4.597 -11.663 74 1HG MET 13 1HG MET 13 -8.638 -6.020 -10.960 75 2HG MET 13 2HG MET 13 -8.504 -4.359 -11.532 76 1HE MET 13 1HE MET 13 -9.702 -7.489 -14.158 77 2HE MET 13 2HE MET 13 -9.055 -8.015 -12.604 78 3HE MET 13 3HE MET 13 -10.280 -6.747 -12.666 79 H ARG 14 H ARG 14 -3.966 -8.163 -11.439 80 HA ARG 14 HA ARG 14 -2.123 -7.755 -9.563 81 1HB ARG 14 1HB ARG 14 -2.007 -8.977 -11.919 82 2HB ARG 14 2HB ARG 14 -1.078 -7.546 -12.347 83 1HG ARG 14 1HG ARG 14 -0.370 -9.038 -9.870 84 2HG ARG 14 2HG ARG 14 0.103 -9.693 -11.439 85 1HD ARG 14 1HD ARG 14 1.262 -7.621 -11.972 86 2HD ARG 14 2HD ARG 14 0.750 -6.924 -10.436 87 HE ARG 14 HE ARG 14 2.090 -9.209 -9.756 88 1HH1 ARG 14 2HH1 ARG 14 2.843 -6.341 -11.579 89 2HH1 ARG 14 1HH1 ARG 14 4.530 -6.375 -11.186 90 1HH2 ARG 14 2HH2 ARG 14 4.309 -9.266 -9.231 91 2HH2 ARG 14 1HH2 ARG 14 5.363 -8.040 -9.850 92 H ALA 15 H ALA 15 -0.912 -6.167 -8.738 93 HA ALA 15 HA ALA 15 -0.875 -3.589 -10.166 94 1HB ALA 15 1HB ALA 15 -0.390 -3.802 -7.227 95 2HB ALA 15 2HB ALA 15 -1.033 -2.453 -8.166 96 3HB ALA 15 3HB ALA 15 -2.038 -3.869 -7.854 97 H SER 16 H SER 16 1.028 -2.831 -10.819 98 HA SER 16 HA SER 16 3.466 -4.073 -9.732 99 1HB SER 16 1HB SER 16 4.542 -3.583 -11.852 100 2HB SER 16 2HB SER 16 3.037 -4.449 -12.159 101 HG SER 16 HG SER 16 2.148 -2.188 -12.363 102 H GLN 17 H GLN 17 5.439 -2.509 -10.185 103 HA GLN 17 HA GLN 17 5.381 -0.473 -8.360 104 1HB GLN 17 1HB GLN 17 7.453 -1.351 -9.308 105 2HB GLN 17 2HB GLN 17 7.069 -0.625 -10.863 106 1HG GLN 17 1HG GLN 17 8.727 0.674 -9.639 107 2HG GLN 17 2HG GLN 17 7.245 1.591 -9.905 108 1HE2 GLN 17 1HE2 GLN 17 5.785 1.840 -8.128 109 2HE2 GLN 17 2HE2 GLN 17 6.377 1.795 -6.506 110 H LYS 18 H LYS 18 4.891 -0.170 -11.868 111 HA LYS 18 HA LYS 18 4.543 2.586 -11.994 112 1HB LYS 18 1HB LYS 18 4.737 0.956 -13.924 113 2HB LYS 18 2HB LYS 18 3.033 0.592 -13.683 114 1HG LYS 18 1HG LYS 18 2.845 2.178 -15.292 115 2HG LYS 18 2HG LYS 18 2.821 3.223 -13.869 116 1HD LYS 18 1HD LYS 18 4.402 4.299 -15.127 117 2HD LYS 18 2HD LYS 18 5.435 3.188 -14.225 118 1HE LYS 18 1HE LYS 18 4.296 2.285 -16.823 119 2HE LYS 18 2HE LYS 18 5.631 3.436 -16.845 120 1HZ LYS 18 1HZ LYS 18 6.574 1.665 -15.121 121 2HZ LYS 18 2HZ LYS 18 6.832 1.546 -16.788 122 3HZ LYS 18 3HZ LYS 18 5.608 0.637 -16.055 123 H ASP 19 H ASP 19 1.931 0.153 -11.968 124 HA ASP 19 HA ASP 19 -0.223 1.819 -11.679 125 1HB ASP 19 1HB ASP 19 0.270 -0.938 -10.563 126 2HB ASP 19 2HB ASP 19 -1.280 -0.120 -10.387 127 H PHE 20 H PHE 20 1.872 0.563 -9.113 128 HA PHE 20 HA PHE 20 0.455 1.618 -6.934 129 1HB PHE 20 1HB PHE 20 2.300 -0.089 -6.824 130 2HB PHE 20 2HB PHE 20 3.447 1.220 -7.089 131 HD1 PHE 20 1HD PHE 20 3.109 3.275 -5.425 132 HD2 PHE 20 2HD PHE 20 1.913 -0.738 -4.663 133 HE1 PHE 20 1HE PHE 20 3.159 3.723 -3.007 134 HE2 PHE 20 2HE PHE 20 1.960 -0.296 -2.243 135 HZ PHE 20 HZ PHE 20 2.582 1.937 -1.412 136 H GLU 21 H GLU 21 3.281 2.930 -8.662 137 HA GLU 21 HA GLU 21 3.627 5.273 -7.261 138 1HB GLU 21 1HB GLU 21 4.067 4.563 -10.143 139 2HB GLU 21 2HB GLU 21 4.370 6.200 -9.577 140 1HG GLU 21 1HG GLU 21 5.947 5.311 -7.914 141 2HG GLU 21 2HG GLU 21 5.676 3.690 -8.552 142 H ASN 22 H ASN 22 1.084 4.420 -9.445 143 HA ASN 22 HA ASN 22 0.181 7.135 -9.840 144 1HB ASN 22 1HB ASN 22 -0.867 4.433 -10.648 145 2HB ASN 22 2HB ASN 22 -1.842 5.885 -10.855 146 1HD2 ASN 22 1HD2 ASN 22 0.405 3.889 -12.260 147 2HD2 ASN 22 2HD2 ASN 22 0.944 4.934 -13.526 148 H SER 23 H SER 23 -0.812 4.311 -7.957 149 HA SER 23 HA SER 23 -3.179 5.413 -6.900 150 1HB SER 23 1HB SER 23 -1.348 3.250 -5.846 151 2HB SER 23 2HB SER 23 -2.904 3.651 -5.120 152 HG SER 23 HG SER 23 -2.330 2.356 -7.512 153 H MET 24 H MET 24 0.057 5.100 -5.433 154 HA MET 24 HA MET 24 -0.428 6.398 -3.047 155 1HB MET 24 1HB MET 24 2.009 6.977 -3.075 156 2HB MET 24 2HB MET 24 1.663 5.283 -3.396 157 1HG MET 24 1HG MET 24 2.353 5.402 -5.559 158 2HG MET 24 2HG MET 24 1.924 7.103 -5.719 159 1HE MET 24 1HE MET 24 4.938 8.943 -5.484 160 2HE MET 24 2HE MET 24 4.663 7.870 -6.857 161 3HE MET 24 3HE MET 24 3.298 8.666 -6.071 162 H ASN 25 H ASN 25 0.218 7.770 -6.221 163 HA ASN 25 HA ASN 25 0.624 10.436 -5.416 164 1HB ASN 25 1HB ASN 25 1.176 9.530 -7.671 165 2HB ASN 25 2HB ASN 25 -0.547 9.461 -8.030 166 1HD2 ASN 25 1HD2 ASN 25 0.163 10.848 -9.826 167 2HD2 ASN 25 2HD2 ASN 25 0.239 12.553 -9.561 168 H GLN 26 H GLN 26 -2.307 8.750 -6.514 169 HA GLN 26 HA GLN 26 -4.092 10.855 -6.461 170 1HB GLN 26 1HB GLN 26 -4.601 7.980 -5.676 171 2HB GLN 26 2HB GLN 26 -5.847 9.158 -6.066 172 1HG GLN 26 1HG GLN 26 -4.812 9.382 -8.328 173 2HG GLN 26 2HG GLN 26 -3.755 8.035 -7.909 174 1HE2 GLN 26 1HE2 GLN 26 -6.702 8.932 -9.219 175 2HE2 GLN 26 2HE2 GLN 26 -7.454 7.378 -9.259 176 H VAL 27 H VAL 27 -3.059 8.773 -3.788 177 HA VAL 27 HA VAL 27 -4.788 9.791 -1.828 178 HB VAL 27 HB VAL 27 -2.003 8.700 -1.407 179 1HG1 VAL 27 1HG1 VAL 27 -4.354 9.074 0.434 180 2HG1 VAL 27 2HG1 VAL 27 -2.991 8.019 0.811 181 3HG1 VAL 27 3HG1 VAL 27 -2.732 9.750 0.589 182 1HG2 VAL 27 1HG2 VAL 27 -4.333 7.431 -2.424 183 2HG2 VAL 27 2HG2 VAL 27 -2.768 6.714 -2.043 184 3HG2 VAL 27 3HG2 VAL 27 -4.022 6.801 -0.807 185 H LYS 28 H LYS 28 -1.822 11.023 -3.160 186 HA LYS 28 HA LYS 28 -1.492 13.001 -1.062 187 1HB LYS 28 1HB LYS 28 0.017 12.608 -3.653 188 2HB LYS 28 2HB LYS 28 0.457 13.740 -2.381 189 1HG LYS 28 1HG LYS 28 0.527 11.654 -0.863 190 2HG LYS 28 2HG LYS 28 0.600 10.753 -2.380 191 1HD LYS 28 1HD LYS 28 2.470 13.035 -1.831 192 2HD LYS 28 2HD LYS 28 2.813 11.408 -1.240 193 1HE LYS 28 1HE LYS 28 2.924 10.531 -3.425 194 2HE LYS 28 2HE LYS 28 2.175 11.966 -4.124 195 1HZ LYS 28 1HZ LYS 28 4.885 11.444 -3.818 196 2HZ LYS 28 2HZ LYS 28 4.521 12.703 -2.749 197 3HZ LYS 28 3HZ LYS 28 4.166 12.862 -4.395 198 H LEU 29 H LEU 29 -3.205 12.701 -3.965 199 HA LEU 29 HA LEU 29 -3.150 15.465 -4.738 200 1HB LEU 29 1HB LEU 29 -4.554 13.009 -5.626 201 2HB LEU 29 2HB LEU 29 -5.303 14.556 -6.019 202 HG LEU 29 HG LEU 29 -3.405 15.222 -7.316 203 1HD1 LEU 29 1HD1 LEU 29 -1.861 13.847 -5.652 204 2HD1 LEU 29 2HD1 LEU 29 -1.345 14.266 -7.285 205 3HD1 LEU 29 3HD1 LEU 29 -1.972 12.653 -6.945 206 1HD2 LEU 29 1HD2 LEU 29 -3.732 12.366 -8.124 207 2HD2 LEU 29 2HD2 LEU 29 -3.689 13.820 -9.121 208 3HD2 LEU 29 3HD2 LEU 29 -5.123 13.449 -8.162 209 H LEU 30 H LEU 30 -5.347 13.374 -2.933 210 HA LEU 30 HA LEU 30 -7.432 15.270 -2.654 211 1HB LEU 30 1HB LEU 30 -8.363 13.789 -1.041 212 2HB LEU 30 2HB LEU 30 -7.665 12.816 -2.334 213 HG LEU 30 HG LEU 30 -5.624 12.602 -0.767 214 1HD1 LEU 30 1HD1 LEU 30 -7.291 14.240 0.822 215 2HD1 LEU 30 2HD1 LEU 30 -5.720 13.552 1.231 216 3HD1 LEU 30 3HD1 LEU 30 -7.196 12.662 1.604 217 1HD2 LEU 30 1HD2 LEU 30 -6.750 10.724 0.451 218 2HD2 LEU 30 2HD2 LEU 30 -6.963 10.706 -1.300 219 3HD2 LEU 30 3HD2 LEU 30 -8.273 11.263 -0.257 220 H LYS 31 H LYS 31 -7.655 16.950 -1.322 221 HA LYS 31 HA LYS 31 -5.624 17.323 0.776 222 1HB LYS 31 1HB LYS 31 -7.280 19.370 -0.711 223 2HB LYS 31 2HB LYS 31 -6.161 19.743 0.593 224 1HG LYS 31 1HG LYS 31 -5.216 18.278 -1.834 225 2HG LYS 31 2HG LYS 31 -5.398 20.033 -1.856 226 1HD LYS 31 1HD LYS 31 -3.996 19.979 0.311 227 2HD LYS 31 2HD LYS 31 -3.559 18.345 -0.193 228 1HE LYS 31 1HE LYS 31 -3.246 20.760 -1.964 229 2HE LYS 31 2HE LYS 31 -1.972 20.179 -0.892 230 1HZ LYS 31 1HZ LYS 31 -2.615 19.276 -3.457 231 2HZ LYS 31 2HZ LYS 31 -2.937 18.012 -2.381 232 3HZ LYS 31 3HZ LYS 31 -1.398 18.712 -2.426 233 H LYS 32 H LYS 32 -8.381 15.950 0.755 234 HA LYS 32 HA LYS 32 -9.649 17.509 2.898 235 1HB LYS 32 1HB LYS 32 -10.682 15.364 1.052 236 2HB LYS 32 2HB LYS 32 -11.563 15.851 2.494 237 1HG LYS 32 1HG LYS 32 -10.752 17.744 0.300 238 2HG LYS 32 2HG LYS 32 -12.325 16.948 0.397 239 1HD LYS 32 1HD LYS 32 -12.484 17.964 2.744 240 2HD LYS 32 2HD LYS 32 -11.136 18.992 2.251 241 1HE LYS 32 1HE LYS 32 -12.999 20.284 1.743 242 2HE LYS 32 2HE LYS 32 -12.598 19.538 0.197 243 1HZ LYS 32 1HZ LYS 32 -14.413 17.975 1.787 244 2HZ LYS 32 2HZ LYS 32 -14.517 18.431 0.161 245 3HZ LYS 32 3HZ LYS 32 -15.034 19.494 1.371 246 H ASP 33 H ASP 33 -8.618 16.945 4.746 247 HA ASP 33 HA ASP 33 -7.356 14.738 5.555 248 1HB ASP 33 1HB ASP 33 -8.404 15.131 7.872 249 2HB ASP 33 2HB ASP 33 -7.519 16.465 7.139 250 HA PRO 34 HA PRO 34 -10.619 11.683 4.775 251 1HB PRO 34 1HB PRO 34 -8.900 9.591 4.583 252 2HB PRO 34 2HB PRO 34 -9.221 10.696 3.242 253 1HG PRO 34 1HG PRO 34 -6.924 10.665 5.162 254 2HG PRO 34 2HG PRO 34 -6.912 10.919 3.407 255 1HD PRO 34 1HD PRO 34 -6.747 12.962 5.176 256 2HD PRO 34 2HD PRO 34 -7.539 13.129 3.597 257 H GLY 35 H GLY 35 -8.001 11.667 7.121 258 1HA GLY 35 1HA GLY 35 -8.889 11.354 9.461 259 2HA GLY 35 2HA GLY 35 -9.616 9.882 8.835 260 H ASN 36 H ASN 36 -7.850 9.974 11.033 261 HA ASN 36 HA ASN 36 -5.206 9.259 10.226 262 1HB ASN 36 1HB ASN 36 -6.726 9.229 12.805 263 2HB ASN 36 2HB ASN 36 -5.205 8.347 12.697 264 1HD2 ASN 36 1HD2 ASN 36 -3.304 9.450 12.617 265 2HD2 ASN 36 2HD2 ASN 36 -3.185 11.163 12.813 266 H GLU 37 H GLU 37 -8.177 7.584 10.424 267 HA GLU 37 HA GLU 37 -7.247 4.971 10.949 268 1HB GLU 37 1HB GLU 37 -9.395 4.282 10.540 269 2HB GLU 37 2HB GLU 37 -9.683 5.990 10.837 270 1HG GLU 37 1HG GLU 37 -9.779 6.431 8.470 271 2HG GLU 37 2HG GLU 37 -9.357 4.758 8.111 272 H VAL 38 H VAL 38 -7.984 6.620 7.881 273 HA VAL 38 HA VAL 38 -7.038 4.445 6.279 274 HB VAL 38 HB VAL 38 -8.692 5.814 5.279 275 1HG1 VAL 38 1HG1 VAL 38 -7.378 7.912 6.645 276 2HG1 VAL 38 2HG1 VAL 38 -7.392 8.326 4.929 277 3HG1 VAL 38 3HG1 VAL 38 -8.904 7.969 5.764 278 1HG2 VAL 38 1HG2 VAL 38 -6.831 5.039 3.809 279 2HG2 VAL 38 2HG2 VAL 38 -7.673 6.468 3.211 280 3HG2 VAL 38 3HG2 VAL 38 -6.096 6.632 3.983 281 H LYS 39 H LYS 39 -5.700 7.506 7.401 282 HA LYS 39 HA LYS 39 -3.412 7.641 5.835 283 1HB LYS 39 1HB LYS 39 -4.172 8.655 8.528 284 2HB LYS 39 2HB LYS 39 -2.469 8.704 8.094 285 1HG LYS 39 1HG LYS 39 -2.782 10.280 6.474 286 2HG LYS 39 2HG LYS 39 -4.445 9.782 6.155 287 1HD LYS 39 1HD LYS 39 -5.077 10.727 8.377 288 2HD LYS 39 2HD LYS 39 -3.433 11.354 8.522 289 1HE LYS 39 1HE LYS 39 -5.445 12.052 6.386 290 2HE LYS 39 2HE LYS 39 -4.921 13.088 7.713 291 1HZ LYS 39 1HZ LYS 39 -3.224 12.099 5.485 292 2HZ LYS 39 2HZ LYS 39 -2.669 13.027 6.786 293 3HZ LYS 39 3HZ LYS 39 -3.781 13.683 5.692 294 H LEU 40 H LEU 40 -4.202 5.470 8.387 295 HA LEU 40 HA LEU 40 -1.444 4.659 8.819 296 1HB LEU 40 1HB LEU 40 -4.065 3.739 9.975 297 2HB LEU 40 2HB LEU 40 -2.525 2.967 10.350 298 HG LEU 40 HG LEU 40 -2.922 5.898 10.836 299 1HD1 LEU 40 1HD1 LEU 40 -4.679 5.249 12.132 300 2HD1 LEU 40 2HD1 LEU 40 -3.363 4.966 13.270 301 3HD1 LEU 40 3HD1 LEU 40 -4.052 3.618 12.367 302 1HD2 LEU 40 1HD2 LEU 40 -0.756 5.574 11.327 303 2HD2 LEU 40 2HD2 LEU 40 -0.945 3.827 11.475 304 3HD2 LEU 40 3HD2 LEU 40 -1.375 4.878 12.825 305 H LYS 41 H LYS 41 -4.429 3.332 7.449 306 HA LYS 41 HA LYS 41 -3.452 0.784 6.808 307 1HB LYS 41 1HB LYS 41 -5.443 0.459 5.730 308 2HB LYS 41 2HB LYS 41 -5.874 1.868 6.692 309 1HG LYS 41 1HG LYS 41 -5.185 3.252 4.666 310 2HG LYS 41 2HG LYS 41 -5.214 1.731 3.770 311 1HD LYS 41 1HD LYS 41 -7.544 2.727 5.398 312 2HD LYS 41 2HD LYS 41 -7.334 3.102 3.686 313 1HE LYS 41 1HE LYS 41 -7.513 0.825 3.071 314 2HE LYS 41 2HE LYS 41 -7.344 0.285 4.741 315 1HZ LYS 41 1HZ LYS 41 -9.624 1.935 3.817 316 2HZ LYS 41 2HZ LYS 41 -9.484 1.074 5.266 317 3HZ LYS 41 3HZ LYS 41 -9.656 0.244 3.803 318 H LEU 42 H LEU 42 -3.226 3.855 5.127 319 HA LEU 42 HA LEU 42 -2.234 2.768 2.681 320 1HB LEU 42 1HB LEU 42 -2.589 5.461 3.854 321 2HB LEU 42 2HB LEU 42 -1.380 5.303 2.582 322 HG LEU 42 HG LEU 42 -3.441 6.044 1.609 323 1HD1 LEU 42 1HD1 LEU 42 -3.590 4.536 -0.139 324 2HD1 LEU 42 2HD1 LEU 42 -3.370 3.137 0.912 325 3HD1 LEU 42 3HD1 LEU 42 -1.999 4.181 0.536 326 1HD2 LEU 42 1HD2 LEU 42 -4.786 3.559 2.637 327 2HD2 LEU 42 2HD2 LEU 42 -5.522 4.957 1.853 328 3HD2 LEU 42 3HD2 LEU 42 -4.861 5.105 3.482 329 H TYR 43 H TYR 43 -0.812 3.755 5.695 330 HA TYR 43 HA TYR 43 1.884 3.789 4.639 331 1HB TYR 43 1HB TYR 43 1.844 5.293 6.352 332 2HB TYR 43 2HB TYR 43 0.589 4.425 7.228 333 HD1 TYR 43 1HD TYR 43 4.199 4.706 6.636 334 HD2 TYR 43 2HD TYR 43 1.152 2.698 8.824 335 HE1 TYR 43 1HE TYR 43 5.900 3.809 8.169 336 HE2 TYR 43 2HE TYR 43 2.844 1.796 10.364 337 HH TYR 43 HH TYR 43 5.035 1.544 10.749 338 H ALA 44 H ALA 44 -0.169 1.664 6.548 339 HA ALA 44 HA ALA 44 1.693 -0.169 7.466 340 1HB ALA 44 1HB ALA 44 -0.475 -0.413 8.291 341 2HB ALA 44 2HB ALA 44 -1.186 -0.453 6.677 342 3HB ALA 44 3HB ALA 44 -0.253 -1.830 7.263 343 H LEU 45 H LEU 45 -0.035 -0.146 4.359 344 HA LEU 45 HA LEU 45 1.212 -2.512 3.385 345 1HB LEU 45 1HB LEU 45 -0.390 -0.314 2.132 346 2HB LEU 45 2HB LEU 45 0.380 -1.547 1.136 347 HG LEU 45 HG LEU 45 -1.785 -2.336 1.374 348 1HD1 LEU 45 1HD1 LEU 45 -1.625 -4.331 2.619 349 2HD1 LEU 45 2HD1 LEU 45 -0.477 -3.623 3.755 350 3HD1 LEU 45 3HD1 LEU 45 0.018 -3.959 2.096 351 1HD2 LEU 45 1HD2 LEU 45 -2.643 -0.759 2.950 352 2HD2 LEU 45 2HD2 LEU 45 -1.648 -1.427 4.244 353 3HD2 LEU 45 3HD2 LEU 45 -2.973 -2.377 3.569 354 H TYR 46 H TYR 46 1.754 0.950 2.801 355 HA TYR 46 HA TYR 46 3.677 0.922 0.882 356 1HB TYR 46 1HB TYR 46 2.941 3.022 1.721 357 2HB TYR 46 2HB TYR 46 3.474 2.639 3.354 358 HD1 TYR 46 1HD TYR 46 4.760 3.242 -0.087 359 HD2 TYR 46 2HD TYR 46 5.584 3.315 4.086 360 HE1 TYR 46 1HE TYR 46 6.910 4.350 -0.537 361 HE2 TYR 46 2HE TYR 46 7.736 4.424 3.648 362 HH TYR 46 HH TYR 46 9.319 4.411 1.069 363 H LYS 47 H LYS 47 4.417 0.817 4.373 364 HA LYS 47 HA LYS 47 7.150 0.223 4.036 365 1HB LYS 47 1HB LYS 47 5.330 -0.311 6.391 366 2HB LYS 47 2HB LYS 47 7.086 -0.414 6.433 367 1HG LYS 47 1HG LYS 47 5.623 2.098 5.676 368 2HG LYS 47 2HG LYS 47 6.064 1.705 7.339 369 1HD LYS 47 1HD LYS 47 8.140 1.633 5.188 370 2HD LYS 47 2HD LYS 47 7.649 3.179 5.885 371 1HE LYS 47 1HE LYS 47 8.351 0.929 7.709 372 2HE LYS 47 2HE LYS 47 9.650 1.801 6.897 373 1HZ LYS 47 1HZ LYS 47 9.444 3.068 8.748 374 2HZ LYS 47 2HZ LYS 47 7.803 2.720 8.964 375 3HZ LYS 47 3HZ LYS 47 8.281 3.849 7.798 376 H GLN 48 H GLN 48 4.326 -1.743 3.895 377 HA GLN 48 HA GLN 48 5.686 -4.232 4.395 378 1HB GLN 48 1HB GLN 48 3.218 -3.740 4.839 379 2HB GLN 48 2HB GLN 48 2.984 -3.906 3.104 380 1HG GLN 48 1HG GLN 48 2.490 -6.019 3.782 381 2HG GLN 48 2HG GLN 48 4.218 -6.189 3.479 382 1HE2 GLN 48 1HE2 GLN 48 3.917 -8.047 4.931 383 2HE2 GLN 48 2HE2 GLN 48 4.035 -7.784 6.634 384 H ALA 49 H ALA 49 4.939 -2.248 1.650 385 HA ALA 49 HA ALA 49 5.742 -4.375 -0.202 386 1HB ALA 49 1HB ALA 49 5.096 -2.329 -1.826 387 2HB ALA 49 2HB ALA 49 3.929 -3.508 -1.225 388 3HB ALA 49 3HB ALA 49 4.093 -1.944 -0.427 389 H THR 50 H THR 50 7.295 -2.239 1.614 390 HA THR 50 HA THR 50 9.348 -1.733 -0.436 391 HB THR 50 HB THR 50 9.939 0.355 0.842 392 HG1 THR 50 1HG THR 50 7.517 -0.341 2.144 393 1HG2 THR 50 1HG2 THR 50 7.796 1.591 0.013 394 2HG2 THR 50 2HG2 THR 50 7.369 0.014 -0.654 395 3HG2 THR 50 3HG2 THR 50 8.860 0.811 -1.156 396 H GLU 51 H GLU 51 8.656 -2.170 3.008 397 HA GLU 51 HA GLU 51 11.468 -2.911 3.440 398 1HB GLU 51 1HB GLU 51 9.433 -2.428 5.604 399 2HB GLU 51 2HB GLU 51 11.186 -2.408 5.733 400 1HG GLU 51 1HG GLU 51 9.759 -0.427 4.008 401 2HG GLU 51 2HG GLU 51 9.902 -0.178 5.747 402 H GLY 52 H GLY 52 8.143 -4.003 3.922 403 1HA GLY 52 1HA GLY 52 7.758 -6.399 3.478 404 2HA GLY 52 2HA GLY 52 9.211 -6.715 4.414 405 HA PRO 53 HA PRO 53 5.779 -7.426 7.339 406 1HB PRO 53 1HB PRO 53 7.110 -9.317 8.760 407 2HB PRO 53 2HB PRO 53 6.230 -9.677 7.270 408 1HG PRO 53 1HG PRO 53 9.163 -9.235 7.679 409 2HG PRO 53 2HG PRO 53 8.343 -10.460 6.693 410 1HD PRO 53 1HD PRO 53 9.419 -8.215 5.629 411 2HD PRO 53 2HD PRO 53 7.974 -8.994 4.953 412 H CYS 54 H CYS 54 5.497 -6.492 9.297 413 HA CYS 54 HA CYS 54 7.168 -4.575 10.299 414 1HB CYS 54 1HB CYS 54 4.924 -4.637 11.078 415 2HB CYS 54 2HB CYS 54 5.106 -6.273 11.698 416 HG CYS 54 HG CYS 54 6.756 -5.553 13.817 417 H ASN 55 H ASN 55 9.270 -4.901 10.716 418 HA ASN 55 HA ASN 55 9.978 -7.102 12.544 419 1HB ASN 55 1HB ASN 55 11.965 -7.475 11.404 420 2HB ASN 55 2HB ASN 55 10.873 -7.066 10.084 421 1HD2 ASN 55 1HD2 ASN 55 11.033 -5.027 9.108 422 2HD2 ASN 55 2HD2 ASN 55 12.466 -4.072 9.248 423 H MET 56 H MET 56 9.272 -4.086 12.812 424 HA MET 56 HA MET 56 11.695 -3.128 14.127 425 1HB MET 56 1HB MET 56 10.265 -1.036 14.454 426 2HB MET 56 2HB MET 56 10.712 -1.448 12.804 427 1HG MET 56 1HG MET 56 8.545 -2.294 12.337 428 2HG MET 56 2HG MET 56 8.082 -2.212 14.035 429 1HE MET 56 1HE MET 56 9.597 0.924 14.486 430 2HE MET 56 2HE MET 56 7.999 1.654 14.640 431 3HE MET 56 3HE MET 56 8.320 0.074 15.356 432 HA PRO 57 HA PRO 57 10.400 -4.074 18.213 433 1HB PRO 57 1HB PRO 57 11.467 -1.995 19.595 434 2HB PRO 57 2HB PRO 57 12.447 -3.298 18.912 435 1HG PRO 57 1HG PRO 57 11.923 -0.556 17.830 436 2HG PRO 57 2HG PRO 57 13.446 -1.462 17.891 437 1HD PRO 57 1HD PRO 57 11.948 -1.281 15.643 438 2HD PRO 57 2HD PRO 57 12.921 -2.715 16.029 439 H LYS 58 H LYS 58 8.565 -3.830 19.330 440 HA LYS 58 HA LYS 58 6.588 -1.998 18.655 441 1HB LYS 58 1HB LYS 58 6.353 -4.193 19.933 442 2HB LYS 58 2HB LYS 58 6.816 -3.290 21.370 443 1HG LYS 58 1HG LYS 58 4.866 -2.035 21.367 444 2HG LYS 58 2HG LYS 58 4.535 -2.374 19.666 445 1HD LYS 58 1HD LYS 58 4.004 -4.677 20.194 446 2HD LYS 58 2HD LYS 58 4.440 -4.419 21.885 447 1HE LYS 58 1HE LYS 58 2.633 -2.731 22.043 448 2HE LYS 58 2HE LYS 58 2.167 -3.118 20.388 449 1HZ LYS 58 1HZ LYS 58 0.793 -4.543 21.420 450 2HZ LYS 58 2HZ LYS 58 1.720 -4.611 22.833 451 3HZ LYS 58 3HZ LYS 58 2.158 -5.540 21.489 452 HA PRO 59 HA PRO 59 8.141 1.680 20.616 453 1HB PRO 59 1HB PRO 59 5.993 3.240 20.047 454 2HB PRO 59 2HB PRO 59 7.221 2.821 18.847 455 1HG PRO 59 1HG PRO 59 4.522 1.607 19.297 456 2HG PRO 59 2HG PRO 59 5.317 2.032 17.770 457 1HD PRO 59 1HD PRO 59 5.239 -0.504 18.716 458 2HD PRO 59 2HD PRO 59 6.600 0.117 17.760 459 H GLY 60 H GLY 60 7.240 3.314 22.208 460 1HA GLY 60 1HA GLY 60 5.810 1.843 24.293 461 2HA GLY 60 2HA GLY 60 6.726 3.326 24.513 462 H VAL 61 H VAL 61 3.962 2.568 25.311 463 HA VAL 61 HA VAL 61 1.911 3.618 23.894 464 HB VAL 61 HB VAL 61 0.981 4.465 26.121 465 1HG1 VAL 61 1HG1 VAL 61 1.337 1.858 26.961 466 2HG1 VAL 61 2HG1 VAL 61 0.070 2.442 25.880 467 3HG1 VAL 61 3HG1 VAL 61 1.558 1.766 25.214 468 1HG2 VAL 61 1HG2 VAL 61 2.799 4.937 27.464 469 2HG2 VAL 61 2HG2 VAL 61 2.319 3.348 28.059 470 3HG2 VAL 61 3HG2 VAL 61 3.685 3.500 26.954 471 H PHE 62 H PHE 62 4.055 5.528 26.006 472 HA PHE 62 HA PHE 62 3.016 8.023 25.716 473 1HB PHE 62 1HB PHE 62 5.909 7.167 25.784 474 2HB PHE 62 2HB PHE 62 5.417 8.856 25.851 475 HD1 PHE 62 1HD PHE 62 5.233 5.614 27.602 476 HD2 PHE 62 2HD PHE 62 4.604 9.817 27.848 477 HE1 PHE 62 1HE PHE 62 4.938 5.424 30.037 478 HE2 PHE 62 2HE PHE 62 4.309 9.633 30.284 479 HZ PHE 62 HZ PHE 62 4.477 7.435 31.382 480 H ASP 63 H ASP 63 4.947 6.257 23.366 481 HA ASP 63 HA ASP 63 5.010 8.496 21.527 482 1HB ASP 63 1HB ASP 63 6.164 5.742 21.576 483 2HB ASP 63 2HB ASP 63 5.978 6.544 20.019 484 H LEU 64 H LEU 64 2.408 7.859 22.138 485 HA LEU 64 HA LEU 64 0.940 6.068 20.794 486 1HB LEU 64 1HB LEU 64 0.294 9.008 20.729 487 2HB LEU 64 2HB LEU 64 -0.845 7.667 20.630 488 HG LEU 64 HG LEU 64 0.813 8.355 23.056 489 1HD1 LEU 64 1HD1 LEU 64 -2.025 8.618 23.384 490 2HD1 LEU 64 2HD1 LEU 64 -1.467 9.639 22.059 491 3HD1 LEU 64 3HD1 LEU 64 -0.750 9.805 23.662 492 1HD2 LEU 64 1HD2 LEU 64 -1.587 6.655 23.242 493 2HD2 LEU 64 2HD2 LEU 64 -0.043 6.541 24.087 494 3HD2 LEU 64 3HD2 LEU 64 -0.193 5.934 22.437 495 H ILE 65 H ILE 65 2.544 8.846 19.337 496 HA ILE 65 HA ILE 65 1.444 8.808 16.801 497 HB ILE 65 HB ILE 65 4.308 9.389 17.561 498 1HG1 ILE 65 1HG1 ILE 65 2.709 10.824 18.716 499 2HG1 ILE 65 2HG1 ILE 65 3.571 11.747 17.490 500 1HG2 ILE 65 1HG2 ILE 65 4.696 9.466 15.369 501 2HG2 ILE 65 2HG2 ILE 65 2.984 9.292 14.988 502 3HG2 ILE 65 3HG2 ILE 65 3.654 10.888 15.325 503 1HD1 ILE 65 1HD1 ILE 65 1.627 11.460 15.985 504 2HD1 ILE 65 2HD1 ILE 65 0.767 10.678 17.312 505 3HD1 ILE 65 3HD1 ILE 65 1.263 12.364 17.455 506 H ASN 66 H ASN 66 4.457 7.171 17.799 507 HA ASN 66 HA ASN 66 4.712 5.706 15.388 508 1HB ASN 66 1HB ASN 66 5.967 5.440 18.115 509 2HB ASN 66 2HB ASN 66 6.322 4.299 16.821 510 1HD2 ASN 66 1HD2 ASN 66 6.512 7.653 17.806 511 2HD2 ASN 66 2HD2 ASN 66 7.782 8.097 16.722 512 H LYS 67 H LYS 67 3.372 4.920 18.565 513 HA LYS 67 HA LYS 67 2.918 2.206 18.229 514 1HB LYS 67 1HB LYS 67 2.555 3.683 20.302 515 2HB LYS 67 2HB LYS 67 0.962 4.014 19.633 516 1HG LYS 67 1HG LYS 67 0.798 2.248 21.249 517 2HG LYS 67 2HG LYS 67 0.493 1.591 19.639 518 1HD LYS 67 1HD LYS 67 2.590 0.541 19.550 519 2HD LYS 67 2HD LYS 67 3.224 1.503 20.887 520 1HE LYS 67 1HE LYS 67 2.764 -0.764 21.621 521 2HE LYS 67 2HE LYS 67 1.677 0.371 22.419 522 1HZ LYS 67 1HZ LYS 67 0.710 -0.805 19.942 523 2HZ LYS 67 2HZ LYS 67 -0.117 -0.478 21.381 524 3HZ LYS 67 3HZ LYS 67 0.848 -1.862 21.257 525 H ALA 68 H ALA 68 1.024 4.956 17.112 526 HA ALA 68 HA ALA 68 -1.273 3.577 16.288 527 1HB ALA 68 1HB ALA 68 -0.076 6.080 15.105 528 2HB ALA 68 2HB ALA 68 -1.735 5.519 14.890 529 3HB ALA 68 3HB ALA 68 -1.171 6.012 16.486 530 H LYS 69 H LYS 69 1.763 4.260 14.608 531 HA LYS 69 HA LYS 69 0.907 3.115 12.128 532 1HB LYS 69 1HB LYS 69 3.444 4.213 13.227 533 2HB LYS 69 2HB LYS 69 3.568 3.111 11.862 534 1HG LYS 69 1HG LYS 69 3.453 5.143 10.806 535 2HG LYS 69 2HG LYS 69 1.757 4.654 10.804 536 1HD LYS 69 1HD LYS 69 1.392 6.005 12.833 537 2HD LYS 69 2HD LYS 69 3.077 6.527 12.769 538 1HE LYS 69 1HE LYS 69 1.262 6.919 10.419 539 2HE LYS 69 2HE LYS 69 1.240 8.054 11.768 540 1HZ LYS 69 1HZ LYS 69 2.979 9.045 10.856 541 2HZ LYS 69 2HZ LYS 69 3.086 7.873 9.642 542 3HZ LYS 69 3HZ LYS 69 3.902 7.650 11.107 543 H TRP 70 H TRP 70 3.053 2.038 14.750 544 HA TRP 70 HA TRP 70 3.920 -0.363 13.775 545 1HB TRP 70 1HB TRP 70 4.395 0.740 16.048 546 2HB TRP 70 2HB TRP 70 2.958 -0.104 16.618 547 HD1 TRP 70 HD TRP 70 6.517 -0.791 15.346 548 HE1 TRP 70 1HE TRP 70 7.201 -3.160 16.086 549 HE3 TRP 70 3HE TRP 70 2.055 -2.356 17.289 550 HZ2 TRP 70 2HZ TRP 70 6.007 -5.396 17.328 551 HZ3 TRP 70 3HZ TRP 70 1.910 -4.624 18.233 552 HH2 TRP 70 HH TRP 70 3.846 -6.111 18.251 553 H ASP 71 H ASP 71 0.819 0.276 15.378 554 HA ASP 71 HA ASP 71 -0.112 -2.395 15.282 555 1HB ASP 71 1HB ASP 71 -1.410 0.275 15.701 556 2HB ASP 71 2HB ASP 71 -2.411 -1.157 15.474 557 H ALA 72 H ALA 72 -0.070 0.196 12.973 558 HA ALA 72 HA ALA 72 -2.047 -0.947 11.229 559 1HB ALA 72 1HB ALA 72 -0.130 0.972 10.090 560 2HB ALA 72 2HB ALA 72 -1.894 0.971 10.061 561 3HB ALA 72 3HB ALA 72 -1.036 1.545 11.491 562 H TRP 73 H TRP 73 1.496 -0.590 11.083 563 HA TRP 73 HA TRP 73 1.742 -2.185 8.728 564 1HB TRP 73 1HB TRP 73 3.390 -0.448 9.324 565 2HB TRP 73 2HB TRP 73 3.854 -1.383 10.743 566 HD1 TRP 73 HD TRP 73 3.258 -3.511 7.723 567 HE1 TRP 73 1HE TRP 73 5.508 -4.295 6.750 568 HE3 TRP 73 3HE TRP 73 6.397 -0.492 10.400 569 HZ2 TRP 73 2HZ TRP 73 8.251 -3.711 7.074 570 HZ3 TRP 73 3HZ TRP 73 8.820 -0.667 10.009 571 HH2 TRP 73 HH TRP 73 9.726 -2.245 8.381 572 H ASN 74 H ASN 74 1.856 -2.805 12.167 573 HA ASN 74 HA ASN 74 3.050 -5.366 12.056 574 1HB ASN 74 1HB ASN 74 2.986 -4.177 14.150 575 2HB ASN 74 2HB ASN 74 1.228 -4.098 14.108 576 1HD2 ASN 74 1HD2 ASN 74 0.750 -5.203 15.915 577 2HD2 ASN 74 2HD2 ASN 74 1.162 -6.859 16.186 578 H ALA 75 H ALA 75 -0.321 -4.287 12.018 579 HA ALA 75 HA ALA 75 -1.679 -6.650 12.239 580 1HB ALA 75 1HB ALA 75 -3.376 -5.281 11.846 581 2HB ALA 75 2HB ALA 75 -2.254 -4.040 11.286 582 3HB ALA 75 3HB ALA 75 -2.927 -5.202 10.143 583 H LEU 76 H LEU 76 0.056 -5.427 9.433 584 HA LEU 76 HA LEU 76 -0.868 -7.187 7.489 585 1HB LEU 76 1HB LEU 76 1.733 -5.762 7.893 586 2HB LEU 76 2HB LEU 76 1.520 -6.872 6.541 587 HG LEU 76 HG LEU 76 1.156 -4.338 6.174 588 1HD1 LEU 76 1HD1 LEU 76 -1.115 -5.205 4.884 589 2HD1 LEU 76 2HD1 LEU 76 -0.189 -6.687 5.115 590 3HD1 LEU 76 3HD1 LEU 76 0.536 -5.318 4.272 591 1HD2 LEU 76 1HD2 LEU 76 -1.415 -5.130 7.531 592 2HD2 LEU 76 2HD2 LEU 76 -1.232 -3.691 6.528 593 3HD2 LEU 76 3HD2 LEU 76 -0.293 -3.857 8.012 594 H GLY 77 H GLY 77 2.018 -7.531 9.561 595 1HA GLY 77 1HA GLY 77 2.893 -9.466 10.499 596 2HA GLY 77 2HA GLY 77 1.608 -10.384 9.728 597 H SER 78 H SER 78 2.483 -11.909 8.502 598 HA SER 78 HA SER 78 5.035 -11.458 7.188 599 1HB SER 78 1HB SER 78 3.273 -13.919 7.277 600 2HB SER 78 2HB SER 78 4.896 -13.850 6.590 601 HG SER 78 HG SER 78 4.197 -13.355 9.298 602 H LEU 79 H LEU 79 2.843 -9.894 6.247 603 HA LEU 79 HA LEU 79 1.782 -11.017 3.848 604 1HB LEU 79 1HB LEU 79 0.864 -9.089 5.281 605 2HB LEU 79 2HB LEU 79 2.014 -8.079 4.407 606 HG LEU 79 HG LEU 79 -0.265 -7.951 3.487 607 1HD1 LEU 79 1HD1 LEU 79 0.355 -8.097 1.209 608 2HD1 LEU 79 2HD1 LEU 79 1.571 -9.329 1.544 609 3HD1 LEU 79 3HD1 LEU 79 1.818 -7.673 2.098 610 1HD2 LEU 79 1HD2 LEU 79 -0.328 -10.443 2.096 611 2HD2 LEU 79 2HD2 LEU 79 -1.518 -9.760 3.204 612 3HD2 LEU 79 3HD2 LEU 79 -0.198 -10.751 3.828 613 HA PRO 80 HA PRO 80 5.447 -10.436 1.393 614 1HB PRO 80 1HB PRO 80 4.350 -11.249 -0.953 615 2HB PRO 80 2HB PRO 80 4.842 -12.375 0.318 616 1HG PRO 80 1HG PRO 80 2.115 -11.320 -0.327 617 2HG PRO 80 2HG PRO 80 2.606 -12.972 0.091 618 1HD PRO 80 1HD PRO 80 1.470 -11.293 1.885 619 2HD PRO 80 2HD PRO 80 2.668 -12.518 2.349 620 H LYS 81 H LYS 81 6.155 -9.086 -0.328 621 HA LYS 81 HA LYS 81 4.893 -6.563 -0.438 622 1HB LYS 81 1HB LYS 81 7.123 -7.790 -2.055 623 2HB LYS 81 2HB LYS 81 6.581 -6.134 -2.294 624 1HG LYS 81 1HG LYS 81 7.462 -5.411 -0.319 625 2HG LYS 81 2HG LYS 81 7.306 -6.988 0.457 626 1HD LYS 81 1HD LYS 81 9.121 -7.780 -1.140 627 2HD LYS 81 2HD LYS 81 9.386 -6.076 -1.517 628 1HE LYS 81 1HE LYS 81 9.850 -5.619 0.832 629 2HE LYS 81 2HE LYS 81 9.543 -7.308 1.233 630 1HZ LYS 81 1HZ LYS 81 11.402 -7.883 -0.292 631 2HZ LYS 81 2HZ LYS 81 11.879 -7.004 1.072 632 3HZ LYS 81 3HZ LYS 81 11.753 -6.234 -0.429 633 H GLU 82 H GLU 82 4.959 -9.302 -2.660 634 HA GLU 82 HA GLU 82 3.791 -8.125 -4.890 635 1HB GLU 82 1HB GLU 82 2.849 -10.519 -5.254 636 2HB GLU 82 2HB GLU 82 4.589 -10.272 -5.263 637 1HG GLU 82 1HG GLU 82 4.837 -11.188 -3.112 638 2HG GLU 82 2HG GLU 82 3.104 -11.110 -2.795 639 H ALA 83 H ALA 83 2.373 -9.123 -1.875 640 HA ALA 83 HA ALA 83 -0.334 -8.710 -2.910 641 1HB ALA 83 1HB ALA 83 -1.138 -9.779 -0.966 642 2HB ALA 83 2HB ALA 83 0.268 -10.710 -1.482 643 3HB ALA 83 3HB ALA 83 0.403 -9.586 -0.130 644 H ALA 84 H ALA 84 1.957 -7.405 -0.574 645 HA ALA 84 HA ALA 84 0.251 -5.569 0.690 646 1HB ALA 84 1HB ALA 84 2.799 -4.410 0.644 647 2HB ALA 84 2HB ALA 84 2.092 -5.401 1.920 648 3HB ALA 84 3HB ALA 84 3.064 -6.154 0.656 649 H ARG 85 H ARG 85 1.970 -5.443 -2.350 650 HA ARG 85 HA ARG 85 1.671 -2.632 -2.752 651 1HB ARG 85 1HB ARG 85 2.571 -4.950 -4.384 652 2HB ARG 85 2HB ARG 85 2.049 -3.509 -5.246 653 1HG ARG 85 1HG ARG 85 3.665 -2.261 -3.665 654 2HG ARG 85 2HG ARG 85 4.358 -3.859 -3.383 655 1HD ARG 85 1HD ARG 85 3.897 -2.983 -6.189 656 2HD ARG 85 2HD ARG 85 5.250 -2.281 -5.303 657 HE ARG 85 HE ARG 85 5.137 -4.874 -6.417 658 1HH1 ARG 85 2HH1 ARG 85 6.265 -3.161 -3.604 659 2HH1 ARG 85 1HH1 ARG 85 7.547 -4.280 -3.276 660 1HH2 ARG 85 2HH2 ARG 85 6.820 -6.354 -5.995 661 2HH2 ARG 85 1HH2 ARG 85 7.862 -6.095 -4.637 662 H GLN 86 H GLN 86 -0.186 -5.487 -3.631 663 HA GLN 86 HA GLN 86 -1.993 -4.136 -5.367 664 1HB GLN 86 1HB GLN 86 -1.743 -6.499 -5.624 665 2HB GLN 86 2HB GLN 86 -2.139 -6.786 -3.935 666 1HG GLN 86 1HG GLN 86 -4.098 -7.367 -4.958 667 2HG GLN 86 2HG GLN 86 -4.407 -5.677 -4.566 668 1HE2 GLN 86 1HE2 GLN 86 -3.733 -4.123 -6.338 669 2HE2 GLN 86 2HE2 GLN 86 -4.143 -4.576 -7.953 670 H ASN 87 H ASN 87 -1.962 -4.875 -1.931 671 HA ASN 87 HA ASN 87 -4.643 -4.199 -1.379 672 1HB ASN 87 1HB ASN 87 -2.151 -4.470 0.253 673 2HB ASN 87 2HB ASN 87 -3.567 -3.719 0.984 674 1HD2 ASN 87 1HD2 ASN 87 -1.997 -6.583 0.410 675 2HD2 ASN 87 2HD2 ASN 87 -3.296 -7.676 0.729 676 H TYR 88 H TYR 88 -1.646 -2.301 -1.115 677 HA TYR 88 HA TYR 88 -2.693 0.060 -0.139 678 1HB TYR 88 1HB TYR 88 -0.284 -0.357 -0.405 679 2HB TYR 88 2HB TYR 88 -0.457 -0.252 -2.153 680 HD1 TYR 88 1HD TYR 88 0.286 1.542 0.799 681 HD2 TYR 88 2HD TYR 88 -1.445 1.989 -3.063 682 HE1 TYR 88 1HE TYR 88 0.670 3.969 0.914 683 HE2 TYR 88 2HE TYR 88 -1.064 4.417 -2.958 684 HH TYR 88 HH TYR 88 0.901 5.869 -0.569 685 H VAL 89 H VAL 89 -2.331 -0.919 -3.539 686 HA VAL 89 HA VAL 89 -3.516 1.426 -4.610 687 HB VAL 89 HB VAL 89 -3.706 0.132 -6.713 688 1HG1 VAL 89 1HG1 VAL 89 -1.595 1.270 -5.977 689 2HG1 VAL 89 2HG1 VAL 89 -1.026 -0.301 -5.409 690 3HG1 VAL 89 3HG1 VAL 89 -1.368 -0.051 -7.122 691 1HG2 VAL 89 1HG2 VAL 89 -2.656 -2.145 -5.036 692 2HG2 VAL 89 2HG2 VAL 89 -4.250 -2.045 -5.783 693 3HG2 VAL 89 3HG2 VAL 89 -2.809 -2.157 -6.793 694 H ASP 90 H ASP 90 -4.775 -1.785 -3.819 695 HA ASP 90 HA ASP 90 -7.296 -1.644 -4.914 696 1HB ASP 90 1HB ASP 90 -6.555 -3.677 -3.881 697 2HB ASP 90 2HB ASP 90 -6.395 -2.889 -2.313 698 H LEU 91 H LEU 91 -6.074 -0.090 -2.022 699 HA LEU 91 HA LEU 91 -8.637 0.763 -1.074 700 1HB LEU 91 1HB LEU 91 -6.723 0.459 0.422 701 2HB LEU 91 2HB LEU 91 -5.874 1.765 -0.401 702 HG LEU 91 HG LEU 91 -6.934 2.298 1.848 703 1HD1 LEU 91 1HD1 LEU 91 -6.204 3.928 0.036 704 2HD1 LEU 91 2HD1 LEU 91 -7.369 4.517 1.222 705 3HD1 LEU 91 3HD1 LEU 91 -7.912 4.047 -0.389 706 1HD2 LEU 91 1HD2 LEU 91 -9.087 1.069 1.140 707 2HD2 LEU 91 2HD2 LEU 91 -9.481 2.565 0.292 708 3HD2 LEU 91 3HD2 LEU 91 -9.233 2.579 2.039 709 H VAL 92 H VAL 92 -5.869 2.601 -2.382 710 HA VAL 92 HA VAL 92 -7.017 5.062 -2.655 711 HB VAL 92 HB VAL 92 -5.175 3.791 -4.685 712 1HG1 VAL 92 1HG1 VAL 92 -5.126 5.748 -5.735 713 2HG1 VAL 92 2HG1 VAL 92 -6.454 6.283 -4.703 714 3HG1 VAL 92 3HG1 VAL 92 -4.785 6.601 -4.230 715 1HG2 VAL 92 1HG2 VAL 92 -3.527 5.258 -3.207 716 2HG2 VAL 92 2HG2 VAL 92 -4.730 4.902 -1.967 717 3HG2 VAL 92 3HG2 VAL 92 -3.907 3.584 -2.802 718 H SER 93 H SER 93 -7.619 2.219 -4.569 719 HA SER 93 HA SER 93 -8.955 3.596 -6.703 720 1HB SER 93 1HB SER 93 -8.376 0.781 -5.988 721 2HB SER 93 2HB SER 93 -9.826 1.045 -6.957 722 HG SER 93 HG SER 93 -8.360 2.368 -8.328 723 H SER 94 H SER 94 -9.885 2.102 -3.683 724 HA SER 94 HA SER 94 -12.687 2.046 -4.210 725 1HB SER 94 1HB SER 94 -11.255 0.770 -2.404 726 2HB SER 94 2HB SER 94 -11.603 2.193 -1.422 727 HG SER 94 HG SER 94 -13.379 0.289 -2.490 728 H LEU 95 H LEU 95 -10.476 4.384 -2.826 729 HA LEU 95 HA LEU 95 -12.353 6.104 -1.642 730 1HB LEU 95 1HB LEU 95 -9.604 6.548 -2.766 731 2HB LEU 95 2HB LEU 95 -10.539 7.856 -2.044 732 HG LEU 95 HG LEU 95 -9.882 5.334 -0.543 733 1HD1 LEU 95 1HD1 LEU 95 -7.930 6.301 0.318 734 2HD1 LEU 95 2HD1 LEU 95 -8.318 7.888 -0.345 735 3HD1 LEU 95 3HD1 LEU 95 -7.839 6.576 -1.422 736 1HD2 LEU 95 1HD2 LEU 95 -10.100 7.803 0.941 737 2HD2 LEU 95 2HD2 LEU 95 -10.972 6.284 1.147 738 3HD2 LEU 95 3HD2 LEU 95 -11.556 7.488 -0.003 739 H SER 96 H SER 96 -10.699 6.461 -4.786 740 HA SER 96 HA SER 96 -12.286 8.614 -5.666 741 1HB SER 96 1HB SER 96 -10.566 6.615 -7.133 742 2HB SER 96 2HB SER 96 -11.423 7.908 -7.971 743 HG SER 96 HG SER 96 -10.087 9.345 -7.152 744 HA PRO 97 HA PRO 97 -16.054 6.630 -6.791 745 1HB PRO 97 1HB PRO 97 -16.992 8.491 -8.531 746 2HB PRO 97 2HB PRO 97 -16.982 8.732 -6.780 747 1HG PRO 97 1HG PRO 97 -15.056 9.734 -8.842 748 2HG PRO 97 2HG PRO 97 -15.753 10.588 -7.452 749 1HD PRO 97 1HD PRO 97 -13.251 9.553 -7.421 750 2HD PRO 97 2HD PRO 97 -14.265 9.644 -5.967 751 H SER 98 H SER 98 -14.344 8.135 -9.543 752 HA SER 98 HA SER 98 -14.984 5.736 -11.130 753 1HB SER 98 1HB SER 98 -14.937 8.638 -11.825 754 2HB SER 98 2HB SER 98 -14.469 7.479 -13.070 755 HG SER 98 HG SER 98 -16.482 6.920 -13.271 756 H LEU 99 H LEU 99 -13.392 5.145 -12.777 757 HA LEU 99 HA LEU 99 -10.733 6.194 -12.635 758 1HB LEU 99 1HB LEU 99 -11.172 4.576 -10.600 759 2HB LEU 99 2HB LEU 99 -10.886 3.334 -11.817 760 HG LEU 99 HG LEU 99 -8.880 5.516 -11.492 761 1HD1 LEU 99 1HD1 LEU 99 -7.893 3.570 -9.871 762 2HD1 LEU 99 2HD1 LEU 99 -9.603 3.552 -9.443 763 3HD1 LEU 99 3HD1 LEU 99 -8.678 5.047 -9.311 764 1HD2 LEU 99 1HD2 LEU 99 -9.104 3.172 -12.999 765 2HD2 LEU 99 2HD2 LEU 99 -7.911 2.818 -11.749 766 3HD2 LEU 99 3HD2 LEU 99 -7.682 4.200 -12.821 767 H GLU 100 H GLU 100 -10.037 6.079 -14.655 768 HA GLU 100 HA GLU 100 -11.099 3.997 -16.417 769 1HB GLU 100 1HB GLU 100 -11.350 6.257 -17.240 770 2HB GLU 100 2HB GLU 100 -9.636 6.572 -17.012 771 1HG GLU 100 1HG GLU 100 -9.778 6.205 -19.278 772 2HG GLU 100 2HG GLU 100 -9.295 4.623 -18.669 773 H SER 101 H SER 101 -9.913 2.296 -16.956 774 HA SER 101 HA SER 101 -7.526 1.549 -15.935 775 1HB SER 101 1HB SER 101 -7.330 -0.065 -17.693 776 2HB SER 101 2HB SER 101 -9.054 0.168 -17.404 777 HG SER 101 HG SER 101 -7.824 0.384 -19.683 778 H SER 102 H SER 102 -5.347 1.472 -16.721 779 HA SER 102 HA SER 102 -4.651 3.825 -18.352 780 1HB SER 102 1HB SER 102 -2.598 4.002 -17.113 781 2HB SER 102 2HB SER 102 -3.910 3.849 -15.945 782 HG SER 102 HG SER 102 -1.888 2.468 -15.756 783 H SER 103 H SER 103 -2.587 3.625 -19.568 784 HA SER 103 HA SER 103 -2.317 0.903 -20.665 785 1HB SER 103 1HB SER 103 -3.180 2.943 -22.097 786 2HB SER 103 2HB SER 103 -1.461 3.324 -22.204 787 HG SER 103 HG SER 103 -2.894 1.243 -23.331 788 H GLN 104 H GLN 104 -0.255 0.121 -21.169 789 HA GLN 104 HA GLN 104 1.944 1.557 -19.836 790 1HB GLN 104 1HB GLN 104 1.620 -1.414 -20.290 791 2HB GLN 104 2HB GLN 104 2.993 -0.646 -19.503 792 1HG GLN 104 1HG GLN 104 1.605 -1.514 -17.798 793 2HG GLN 104 2HG GLN 104 1.404 0.237 -17.787 794 1HE2 GLN 104 1HE2 GLN 104 -0.017 -2.586 -19.407 795 2HE2 GLN 104 2HE2 GLN 104 -1.659 -2.087 -19.207 796 H VAL 105 H VAL 105 1.213 2.133 -22.501 797 HA VAL 105 HA VAL 105 3.081 0.736 -24.227 798 HB VAL 105 HB VAL 105 2.230 2.169 -26.013 799 1HG1 VAL 105 1HG1 VAL 105 0.760 0.271 -24.549 800 2HG1 VAL 105 2HG1 VAL 105 -0.370 1.556 -24.980 801 3HG1 VAL 105 3HG1 VAL 105 0.552 0.732 -26.238 802 1HG2 VAL 105 1HG2 VAL 105 1.050 3.646 -23.721 803 2HG2 VAL 105 2HG2 VAL 105 1.767 4.257 -25.212 804 3HG2 VAL 105 3HG2 VAL 105 0.136 3.586 -25.228 805 H GLU 106 H GLU 106 4.710 1.854 -25.468 806 HA GLU 106 HA GLU 106 5.602 4.434 -24.451 807 1HB GLU 106 1HB GLU 106 7.021 1.855 -24.024 808 2HB GLU 106 2HB GLU 106 7.998 3.256 -24.438 809 1HG GLU 106 1HG GLU 106 6.634 4.400 -22.525 810 2HG GLU 106 2HG GLU 106 6.362 2.737 -22.007 811 HA PRO 107 HA PRO 107 6.661 5.079 -28.667 812 1HB PRO 107 1HB PRO 107 8.547 7.012 -28.387 813 2HB PRO 107 2HB PRO 107 6.822 7.309 -28.140 814 1HG PRO 107 1HG PRO 107 8.968 6.809 -26.113 815 2HG PRO 107 2HG PRO 107 7.652 7.997 -26.079 816 1HD PRO 107 1HD PRO 107 7.544 5.665 -24.708 817 2HD PRO 107 2HD PRO 107 6.098 6.444 -25.383 818 H GLY 108 H GLY 108 9.319 4.604 -26.370 819 1HA GLY 108 1HA GLY 108 10.814 3.253 -28.533 820 2HA GLY 108 2HA GLY 108 11.607 4.260 -27.331 821 H THR 109 H THR 109 11.198 1.179 -28.182 822 HA THR 109 HA THR 109 11.258 0.218 -25.395 823 HB THR 109 HB THR 109 10.291 -1.295 -27.829 824 HG1 THR 109 1HG THR 109 8.890 0.404 -26.893 825 1HG2 THR 109 1HG2 THR 109 11.447 -2.576 -25.921 826 2HG2 THR 109 2HG2 THR 109 9.849 -3.122 -26.430 827 3HG2 THR 109 3HG2 THR 109 10.027 -2.159 -24.964 828 H ASP 110 H ASP 110 13.547 0.534 -25.362 829 HA ASP 110 HA ASP 110 14.986 -1.759 -26.383 830 1HB ASP 110 1HB ASP 110 16.140 0.941 -27.028 831 2HB ASP 110 2HB ASP 110 16.570 -0.632 -27.694 832 H SER 111 H SER 111 16.903 -2.183 -25.269 833 HA SER 111 HA SER 111 17.229 -0.610 -22.805 834 1HB SER 111 1HB SER 111 17.835 -3.500 -23.438 835 2HB SER 111 2HB SER 111 18.408 -2.704 -21.972 836 HG SER 111 HG SER 111 15.685 -2.860 -22.757 837 H GLY 112 H GLY 112 19.173 -2.486 -25.138 838 1HA GLY 112 1HA GLY 112 21.014 -0.562 -25.791 839 2HA GLY 112 2HA GLY 112 21.627 -1.264 -24.300 840 HA PRO 113 HA PRO 113 21.613 -4.716 -27.726 841 1HB PRO 113 1HB PRO 113 21.543 -3.786 -30.276 842 2HB PRO 113 2HB PRO 113 20.088 -4.221 -29.372 843 1HG PRO 113 1HG PRO 113 21.283 -1.519 -29.850 844 2HG PRO 113 2HG PRO 113 19.583 -2.018 -29.916 845 1HD PRO 113 1HD PRO 113 20.642 -0.734 -27.781 846 2HD PRO 113 2HD PRO 113 19.336 -1.927 -27.627 847 H SER 114 H SER 114 23.448 -5.523 -28.792 848 HA SER 114 HA SER 114 25.706 -3.634 -28.931 849 1HB SER 114 1HB SER 114 25.621 -5.653 -27.224 850 2HB SER 114 2HB SER 114 26.142 -6.578 -28.633 851 HG SER 114 HG SER 114 27.907 -5.126 -28.823 852 H SER 115 H SER 115 24.737 -6.801 -30.263 853 HA SER 115 HA SER 115 25.796 -5.912 -32.866 854 1HB SER 115 1HB SER 115 26.328 -8.295 -33.326 855 2HB SER 115 2HB SER 115 27.222 -7.659 -31.945 856 HG SER 115 HG SER 115 24.775 -9.044 -31.647 857 H GLY 116 H GLY 116 24.452 -5.999 -34.563 858 1HA GLY 116 1HA GLY 116 21.925 -7.495 -34.231 859 2HA GLY 116 2HA GLY 116 21.967 -5.878 -34.918 Start of MODEL 11 1 1H GLY 1 H GLY 1 -23.052 -30.485 -18.311 2 1HA GLY 1 1HA GLY 1 -23.795 -28.307 -18.021 3 2HA GLY 1 2HA GLY 1 -22.363 -27.981 -17.057 4 H SER 2 H SER 2 -23.428 -26.200 -18.962 5 HA SER 2 HA SER 2 -22.422 -26.226 -21.505 6 1HB SER 2 1HB SER 2 -22.555 -23.836 -19.649 7 2HB SER 2 2HB SER 2 -22.421 -23.758 -21.406 8 HG SER 2 HG SER 2 -24.440 -24.798 -21.540 9 H SER 3 H SER 3 -20.590 -24.868 -22.382 10 HA SER 3 HA SER 3 -18.271 -24.498 -20.743 11 1HB SER 3 1HB SER 3 -18.439 -26.874 -22.589 12 2HB SER 3 2HB SER 3 -16.890 -26.142 -22.171 13 HG SER 3 HG SER 3 -18.766 -27.392 -20.467 14 H GLY 4 H GLY 4 -16.298 -24.026 -22.232 15 1HA GLY 4 1HA GLY 4 -17.183 -22.774 -24.742 16 2HA GLY 4 2HA GLY 4 -16.340 -21.800 -23.547 17 H SER 5 H SER 5 -14.386 -23.527 -22.683 18 HA SER 5 HA SER 5 -12.977 -24.596 -24.972 19 1HB SER 5 1HB SER 5 -10.990 -23.160 -24.665 20 2HB SER 5 2HB SER 5 -12.406 -22.220 -25.135 21 HG SER 5 HG SER 5 -11.898 -22.554 -22.410 22 H SER 6 H SER 6 -11.013 -25.726 -24.373 23 HA SER 6 HA SER 6 -11.313 -27.163 -21.943 24 1HB SER 6 1HB SER 6 -9.258 -27.135 -24.133 25 2HB SER 6 2HB SER 6 -8.956 -28.039 -22.649 26 HG SER 6 HG SER 6 -10.914 -29.167 -23.043 27 H GLY 7 H GLY 7 -9.205 -27.531 -20.570 28 1HA GLY 7 1HA GLY 7 -7.719 -26.681 -19.038 29 2HA GLY 7 2HA GLY 7 -7.444 -25.356 -20.159 30 H MET 8 H MET 8 -7.391 -24.881 -17.471 31 HA MET 8 HA MET 8 -9.600 -23.019 -17.203 32 1HB MET 8 1HB MET 8 -9.097 -25.246 -15.231 33 2HB MET 8 2HB MET 8 -10.012 -23.800 -14.826 34 1HG MET 8 1HG MET 8 -11.706 -25.206 -15.395 35 2HG MET 8 2HG MET 8 -11.387 -24.455 -16.957 36 1HE MET 8 1HE MET 8 -9.866 -27.075 -14.699 37 2HE MET 8 2HE MET 8 -11.293 -28.056 -15.033 38 3HE MET 8 3HE MET 8 -9.724 -28.530 -15.684 39 H ASN 9 H ASN 9 -8.683 -21.146 -16.715 40 HA ASN 9 HA ASN 9 -6.825 -20.915 -14.533 41 1HB ASN 9 1HB ASN 9 -5.549 -21.538 -16.768 42 2HB ASN 9 2HB ASN 9 -5.758 -19.821 -17.101 43 1HD2 ASN 9 1HD2 ASN 9 -3.365 -19.981 -17.045 44 2HD2 ASN 9 2HD2 ASN 9 -2.583 -19.764 -15.520 45 H ARG 10 H ARG 10 -6.833 -18.896 -13.653 46 HA ARG 10 HA ARG 10 -8.626 -16.949 -14.922 47 1HB ARG 10 1HB ARG 10 -7.916 -17.593 -12.101 48 2HB ARG 10 2HB ARG 10 -8.345 -15.930 -12.480 49 1HG ARG 10 1HG ARG 10 -10.099 -18.221 -13.287 50 2HG ARG 10 2HG ARG 10 -10.196 -17.495 -11.681 51 1HD ARG 10 1HD ARG 10 -10.397 -15.888 -14.217 52 2HD ARG 10 2HD ARG 10 -11.802 -16.601 -13.426 53 HE ARG 10 HE ARG 10 -10.416 -15.135 -11.509 54 1HH1 ARG 10 2HH1 ARG 10 -12.159 -14.574 -14.470 55 2HH1 ARG 10 1HH1 ARG 10 -12.665 -12.979 -14.023 56 1HH2 ARG 10 2HH2 ARG 10 -11.076 -13.036 -10.908 57 2HH2 ARG 10 1HH2 ARG 10 -12.048 -12.105 -11.997 58 H THR 11 H THR 11 -7.663 -15.378 -16.014 59 HA THR 11 HA THR 11 -5.038 -14.759 -16.220 60 HB THR 11 HB THR 11 -5.675 -12.471 -16.898 61 HG1 THR 11 1HG THR 11 -8.019 -13.193 -15.550 62 1HG2 THR 11 1HG2 THR 11 -7.591 -13.286 -18.525 63 2HG2 THR 11 2HG2 THR 11 -7.139 -14.869 -17.891 64 3HG2 THR 11 3HG2 THR 11 -5.936 -13.866 -18.701 65 H ALA 12 H ALA 12 -3.510 -13.611 -15.141 66 HA ALA 12 HA ALA 12 -3.736 -13.253 -12.372 67 1HB ALA 12 1HB ALA 12 -1.724 -11.745 -13.994 68 2HB ALA 12 2HB ALA 12 -1.544 -12.503 -12.411 69 3HB ALA 12 3HB ALA 12 -1.635 -13.502 -13.862 70 H MET 13 H MET 13 -4.365 -11.596 -11.118 71 HA MET 13 HA MET 13 -4.939 -9.018 -12.420 72 1HB MET 13 1HB MET 13 -6.648 -10.632 -10.551 73 2HB MET 13 2HB MET 13 -6.827 -8.885 -10.641 74 1HG MET 13 1HG MET 13 -6.964 -10.617 -13.083 75 2HG MET 13 2HG MET 13 -8.373 -10.312 -12.070 76 1HE MET 13 1HE MET 13 -9.486 -9.630 -14.185 77 2HE MET 13 2HE MET 13 -10.073 -8.385 -13.082 78 3HE MET 13 3HE MET 13 -9.542 -7.946 -14.706 79 H ARG 14 H ARG 14 -2.821 -8.404 -11.631 80 HA ARG 14 HA ARG 14 -2.940 -7.527 -8.834 81 1HB ARG 14 1HB ARG 14 -0.617 -8.921 -10.168 82 2HB ARG 14 2HB ARG 14 -0.474 -8.030 -8.659 83 1HG ARG 14 1HG ARG 14 -2.250 -9.553 -7.725 84 2HG ARG 14 2HG ARG 14 -2.059 -10.526 -9.185 85 1HD ARG 14 1HD ARG 14 0.463 -10.485 -8.568 86 2HD ARG 14 2HD ARG 14 -0.116 -10.039 -6.963 87 HE ARG 14 HE ARG 14 -0.743 -12.207 -6.654 88 1HH1 ARG 14 2HH1 ARG 14 -0.460 -11.613 -10.072 89 2HH1 ARG 14 1HH1 ARG 14 -0.746 -13.263 -10.515 90 1HH2 ARG 14 2HH2 ARG 14 -1.122 -14.383 -7.224 91 2HH2 ARG 14 1HH2 ARG 14 -1.124 -14.838 -8.895 92 H ALA 15 H ALA 15 -1.670 -5.660 -8.358 93 HA ALA 15 HA ALA 15 -1.418 -3.887 -10.647 94 1HB ALA 15 1HB ALA 15 -0.891 -3.128 -7.793 95 2HB ALA 15 2HB ALA 15 -1.423 -2.108 -9.130 96 3HB ALA 15 3HB ALA 15 -2.531 -3.285 -8.424 97 H SER 16 H SER 16 0.456 -2.897 -11.319 98 HA SER 16 HA SER 16 2.932 -4.178 -10.423 99 1HB SER 16 1HB SER 16 2.199 -4.033 -12.895 100 2HB SER 16 2HB SER 16 2.685 -2.341 -12.797 101 HG SER 16 HG SER 16 4.484 -4.246 -11.853 102 H GLN 17 H GLN 17 4.917 -2.710 -10.510 103 HA GLN 17 HA GLN 17 4.890 -0.884 -8.486 104 1HB GLN 17 1HB GLN 17 6.942 -1.782 -9.500 105 2HB GLN 17 2HB GLN 17 6.669 -0.797 -10.930 106 1HG GLN 17 1HG GLN 17 8.339 0.217 -9.514 107 2HG GLN 17 2HG GLN 17 6.895 1.226 -9.576 108 1HE2 GLN 17 1HE2 GLN 17 6.747 2.202 -7.683 109 2HE2 GLN 17 2HE2 GLN 17 6.853 1.436 -6.139 110 H LYS 18 H LYS 18 4.602 -0.136 -11.953 111 HA LYS 18 HA LYS 18 4.411 2.614 -11.807 112 1HB LYS 18 1HB LYS 18 4.546 1.345 -13.915 113 2HB LYS 18 2HB LYS 18 2.898 0.781 -13.676 114 1HG LYS 18 1HG LYS 18 2.171 3.179 -13.716 115 2HG LYS 18 2HG LYS 18 3.815 3.595 -14.204 116 1HD LYS 18 1HD LYS 18 2.069 1.641 -15.694 117 2HD LYS 18 2HD LYS 18 2.180 3.357 -16.091 118 1HE LYS 18 1HE LYS 18 3.761 2.537 -17.516 119 2HE LYS 18 2HE LYS 18 4.768 2.820 -16.097 120 1HZ LYS 18 1HZ LYS 18 3.814 0.307 -15.712 121 2HZ LYS 18 2HZ LYS 18 5.346 0.695 -16.313 122 3HZ LYS 18 3HZ LYS 18 4.082 0.351 -17.382 123 H ASP 19 H ASP 19 1.724 0.275 -11.725 124 HA ASP 19 HA ASP 19 -0.381 2.031 -11.421 125 1HB ASP 19 1HB ASP 19 0.023 -0.742 -10.298 126 2HB ASP 19 2HB ASP 19 -1.501 0.132 -10.160 127 H PHE 20 H PHE 20 1.717 0.667 -8.911 128 HA PHE 20 HA PHE 20 0.404 1.714 -6.680 129 1HB PHE 20 1HB PHE 20 2.198 0.016 -6.564 130 2HB PHE 20 2HB PHE 20 3.373 1.244 -7.023 131 HD1 PHE 20 1HD PHE 20 3.991 3.018 -5.468 132 HD2 PHE 20 2HD PHE 20 1.293 -0.078 -4.349 133 HE1 PHE 20 1HE PHE 20 4.294 3.614 -3.100 134 HE2 PHE 20 2HE PHE 20 1.591 0.514 -1.980 135 HZ PHE 20 HZ PHE 20 3.092 2.362 -1.352 136 H GLU 21 H GLU 21 3.284 3.031 -8.327 137 HA GLU 21 HA GLU 21 3.563 5.379 -6.935 138 1HB GLU 21 1HB GLU 21 4.188 4.554 -9.727 139 2HB GLU 21 2HB GLU 21 4.288 6.266 -9.340 140 1HG GLU 21 1HG GLU 21 5.706 5.383 -7.310 141 2HG GLU 21 2HG GLU 21 5.949 4.001 -8.377 142 H ASN 22 H ASN 22 1.106 4.526 -9.220 143 HA ASN 22 HA ASN 22 0.217 7.230 -9.671 144 1HB ASN 22 1HB ASN 22 -0.916 4.530 -10.400 145 2HB ASN 22 2HB ASN 22 -1.757 6.036 -10.755 146 1HD2 ASN 22 1HD2 ASN 22 -0.494 3.910 -12.451 147 2HD2 ASN 22 2HD2 ASN 22 0.544 4.775 -13.527 148 H SER 23 H SER 23 -0.945 4.422 -7.837 149 HA SER 23 HA SER 23 -3.281 5.597 -6.827 150 1HB SER 23 1HB SER 23 -1.532 3.402 -5.700 151 2HB SER 23 2HB SER 23 -3.103 3.842 -5.032 152 HG SER 23 HG SER 23 -2.817 3.206 -7.763 153 H MET 24 H MET 24 -0.101 5.211 -5.258 154 HA MET 24 HA MET 24 -0.616 6.538 -2.899 155 1HB MET 24 1HB MET 24 1.827 7.052 -2.851 156 2HB MET 24 2HB MET 24 1.460 5.369 -3.208 157 1HG MET 24 1HG MET 24 2.225 5.506 -5.344 158 2HG MET 24 2HG MET 24 1.821 7.214 -5.498 159 1HE MET 24 1HE MET 24 4.890 7.753 -6.529 160 2HE MET 24 2HE MET 24 3.304 8.448 -6.191 161 3HE MET 24 3HE MET 24 4.721 9.011 -5.304 162 H ASN 25 H ASN 25 0.134 7.877 -6.063 163 HA ASN 25 HA ASN 25 0.570 10.541 -5.254 164 1HB ASN 25 1HB ASN 25 1.168 9.583 -7.491 165 2HB ASN 25 2HB ASN 25 -0.544 9.606 -7.906 166 1HD2 ASN 25 1HD2 ASN 25 0.187 10.968 -9.669 167 2HD2 ASN 25 2HD2 ASN 25 0.387 12.663 -9.395 168 H GLN 26 H GLN 26 -2.350 8.902 -6.450 169 HA GLN 26 HA GLN 26 -4.097 11.040 -6.466 170 1HB GLN 26 1HB GLN 26 -4.716 8.190 -5.671 171 2HB GLN 26 2HB GLN 26 -5.897 9.392 -6.175 172 1HG GLN 26 1HG GLN 26 -4.726 9.521 -8.368 173 2HG GLN 26 2HG GLN 26 -3.713 8.175 -7.846 174 1HE2 GLN 26 1HE2 GLN 26 -6.916 9.165 -8.777 175 2HE2 GLN 26 2HE2 GLN 26 -7.545 7.579 -9.047 176 H VAL 27 H VAL 27 -3.178 8.959 -3.755 177 HA VAL 27 HA VAL 27 -4.964 10.083 -1.872 178 HB VAL 27 HB VAL 27 -2.321 8.711 -1.359 179 1HG1 VAL 27 1HG1 VAL 27 -3.152 9.994 0.560 180 2HG1 VAL 27 2HG1 VAL 27 -4.686 9.127 0.467 181 3HG1 VAL 27 3HG1 VAL 27 -3.202 8.257 0.860 182 1HG2 VAL 27 1HG2 VAL 27 -3.289 6.808 -1.966 183 2HG2 VAL 27 2HG2 VAL 27 -4.584 7.076 -0.799 184 3HG2 VAL 27 3HG2 VAL 27 -4.734 7.700 -2.442 185 H LYS 28 H LYS 28 -1.991 11.177 -3.196 186 HA LYS 28 HA LYS 28 -1.480 13.034 -1.010 187 1HB LYS 28 1HB LYS 28 -0.010 12.472 -3.589 188 2HB LYS 28 2HB LYS 28 0.480 13.711 -2.441 189 1HG LYS 28 1HG LYS 28 0.489 11.770 -0.726 190 2HG LYS 28 2HG LYS 28 0.549 10.738 -2.157 191 1HD LYS 28 1HD LYS 28 2.468 13.015 -1.743 192 2HD LYS 28 2HD LYS 28 2.776 11.398 -1.103 193 1HE LYS 28 1HE LYS 28 2.173 11.940 -4.003 194 2HE LYS 28 2HE LYS 28 3.810 11.916 -3.348 195 1HZ LYS 28 1HZ LYS 28 3.792 9.690 -3.148 196 2HZ LYS 28 2HZ LYS 28 2.598 9.773 -4.343 197 3HZ LYS 28 3HZ LYS 28 2.158 9.613 -2.717 198 H LEU 29 H LEU 29 -3.132 12.943 -3.989 199 HA LEU 29 HA LEU 29 -2.901 15.706 -4.672 200 1HB LEU 29 1HB LEU 29 -4.517 13.393 -5.587 201 2HB LEU 29 2HB LEU 29 -5.129 15.005 -5.951 202 HG LEU 29 HG LEU 29 -3.210 15.520 -7.267 203 1HD1 LEU 29 1HD1 LEU 29 -1.720 14.114 -5.630 204 2HD1 LEU 29 2HD1 LEU 29 -1.229 14.374 -7.303 205 3HD1 LEU 29 3HD1 LEU 29 -1.974 12.847 -6.830 206 1HD2 LEU 29 1HD2 LEU 29 -5.050 13.821 -8.072 207 2HD2 LEU 29 2HD2 LEU 29 -3.687 12.703 -8.104 208 3HD2 LEU 29 3HD2 LEU 29 -3.641 14.178 -9.071 209 H LEU 30 H LEU 30 -5.225 13.772 -2.858 210 HA LEU 30 HA LEU 30 -7.185 15.777 -2.544 211 1HB LEU 30 1HB LEU 30 -8.057 14.393 -0.746 212 2HB LEU 30 2HB LEU 30 -7.647 13.421 -2.157 213 HG LEU 30 HG LEU 30 -5.408 13.026 -0.840 214 1HD1 LEU 30 1HD1 LEU 30 -5.325 13.676 1.278 215 2HD1 LEU 30 2HD1 LEU 30 -6.885 12.932 1.625 216 3HD1 LEU 30 3HD1 LEU 30 -6.814 14.581 1.006 217 1HD2 LEU 30 1HD2 LEU 30 -8.075 11.720 -0.462 218 2HD2 LEU 30 2HD2 LEU 30 -6.650 11.121 0.388 219 3HD2 LEU 30 3HD2 LEU 30 -6.675 11.158 -1.376 220 H LYS 31 H LYS 31 -7.173 17.566 -1.364 221 HA LYS 31 HA LYS 31 -5.018 17.988 0.557 222 1HB LYS 31 1HB LYS 31 -6.973 19.803 -0.829 223 2HB LYS 31 2HB LYS 31 -6.064 20.359 0.571 224 1HG LYS 31 1HG LYS 31 -4.614 19.121 -1.722 225 2HG LYS 31 2HG LYS 31 -5.174 20.791 -1.837 226 1HD LYS 31 1HD LYS 31 -3.653 19.911 0.578 227 2HD LYS 31 2HD LYS 31 -2.783 20.259 -0.918 228 1HE LYS 31 1HE LYS 31 -2.759 22.298 0.196 229 2HE LYS 31 2HE LYS 31 -4.115 22.466 -0.917 230 1HZ LYS 31 1HZ LYS 31 -4.252 22.985 1.698 231 2HZ LYS 31 2HZ LYS 31 -4.782 21.379 1.682 232 3HZ LYS 31 3HZ LYS 31 -5.586 22.544 0.756 233 H LYS 32 H LYS 32 -7.693 16.420 0.879 234 HA LYS 32 HA LYS 32 -8.480 17.703 3.414 235 1HB LYS 32 1HB LYS 32 -10.679 16.617 3.135 236 2HB LYS 32 2HB LYS 32 -10.315 17.729 1.822 237 1HG LYS 32 1HG LYS 32 -9.605 15.782 0.450 238 2HG LYS 32 2HG LYS 32 -10.156 14.724 1.751 239 1HD LYS 32 1HD LYS 32 -12.406 15.405 1.478 240 2HD LYS 32 2HD LYS 32 -11.945 16.768 0.454 241 1HE LYS 32 1HE LYS 32 -12.890 14.958 -0.876 242 2HE LYS 32 2HE LYS 32 -11.192 15.213 -1.276 243 1HZ LYS 32 1HZ LYS 32 -10.888 13.363 0.544 244 2HZ LYS 32 2HZ LYS 32 -11.218 12.964 -1.066 245 3HZ LYS 32 3HZ LYS 32 -12.463 12.953 0.080 246 H ASP 33 H ASP 33 -8.392 16.527 5.247 247 HA ASP 33 HA ASP 33 -7.064 13.968 5.145 248 1HB ASP 33 1HB ASP 33 -8.145 15.395 7.580 249 2HB ASP 33 2HB ASP 33 -6.911 14.139 7.537 250 HA PRO 34 HA PRO 34 -10.963 11.782 5.038 251 1HB PRO 34 1HB PRO 34 -9.858 9.306 4.894 252 2HB PRO 34 2HB PRO 34 -9.974 10.389 3.502 253 1HG PRO 34 1HG PRO 34 -7.638 9.854 5.295 254 2HG PRO 34 2HG PRO 34 -7.680 10.008 3.529 255 1HD PRO 34 1HD PRO 34 -6.873 12.022 5.149 256 2HD PRO 34 2HD PRO 34 -7.701 12.312 3.606 257 H GLY 35 H GLY 35 -8.251 10.527 7.000 258 1HA GLY 35 1HA GLY 35 -9.248 10.802 9.499 259 2HA GLY 35 2HA GLY 35 -10.072 9.362 8.920 260 H ASN 36 H ASN 36 -7.797 10.080 10.933 261 HA ASN 36 HA ASN 36 -5.387 9.007 10.286 262 1HB ASN 36 1HB ASN 36 -6.989 8.908 12.820 263 2HB ASN 36 2HB ASN 36 -5.442 8.071 12.729 264 1HD2 ASN 36 1HD2 ASN 36 -3.834 9.204 13.506 265 2HD2 ASN 36 2HD2 ASN 36 -3.666 10.922 13.444 266 H GLU 37 H GLU 37 -8.392 7.340 10.482 267 HA GLU 37 HA GLU 37 -7.501 4.720 10.948 268 1HB GLU 37 1HB GLU 37 -9.860 5.341 11.071 269 2HB GLU 37 2HB GLU 37 -9.878 5.682 9.347 270 1HG GLU 37 1HG GLU 37 -10.824 3.594 9.428 271 2HG GLU 37 2HG GLU 37 -9.134 3.211 9.107 272 H VAL 38 H VAL 38 -8.136 6.412 7.880 273 HA VAL 38 HA VAL 38 -7.120 4.240 6.299 274 HB VAL 38 HB VAL 38 -8.820 5.592 5.304 275 1HG1 VAL 38 1HG1 VAL 38 -8.639 7.643 6.468 276 2HG1 VAL 38 2HG1 VAL 38 -6.989 7.904 5.900 277 3HG1 VAL 38 3HG1 VAL 38 -8.339 8.016 4.771 278 1HG2 VAL 38 1HG2 VAL 38 -7.845 6.096 3.202 279 2HG2 VAL 38 2HG2 VAL 38 -6.264 6.387 3.926 280 3HG2 VAL 38 3HG2 VAL 38 -6.922 4.751 3.872 281 H LYS 39 H LYS 39 -5.913 7.372 7.390 282 HA LYS 39 HA LYS 39 -3.600 7.566 5.879 283 1HB LYS 39 1HB LYS 39 -4.130 8.428 8.724 284 2HB LYS 39 2HB LYS 39 -2.689 8.881 7.824 285 1HG LYS 39 1HG LYS 39 -3.815 10.331 6.474 286 2HG LYS 39 2HG LYS 39 -5.335 9.442 6.599 287 1HD LYS 39 1HD LYS 39 -5.908 10.436 8.591 288 2HD LYS 39 2HD LYS 39 -4.231 10.759 9.035 289 1HE LYS 39 1HE LYS 39 -5.699 12.162 6.807 290 2HE LYS 39 2HE LYS 39 -5.552 12.793 8.447 291 1HZ LYS 39 1HZ LYS 39 -3.440 13.406 8.105 292 2HZ LYS 39 2HZ LYS 39 -3.830 13.315 6.461 293 3HZ LYS 39 3HZ LYS 39 -3.052 12.017 7.220 294 H LEU 40 H LEU 40 -4.386 5.301 8.308 295 HA LEU 40 HA LEU 40 -1.593 4.601 8.802 296 1HB LEU 40 1HB LEU 40 -4.196 3.752 10.028 297 2HB LEU 40 2HB LEU 40 -2.701 2.873 10.337 298 HG LEU 40 HG LEU 40 -2.979 5.814 10.903 299 1HD1 LEU 40 1HD1 LEU 40 -3.388 5.165 13.252 300 2HD1 LEU 40 2HD1 LEU 40 -3.581 3.493 12.729 301 3HD1 LEU 40 3HD1 LEU 40 -4.712 4.727 12.173 302 1HD2 LEU 40 1HD2 LEU 40 -0.722 4.645 10.720 303 2HD2 LEU 40 2HD2 LEU 40 -1.172 3.794 12.198 304 3HD2 LEU 40 3HD2 LEU 40 -1.040 5.553 12.198 305 H LYS 41 H LYS 41 -4.541 3.271 7.390 306 HA LYS 41 HA LYS 41 -3.536 0.699 6.820 307 1HB LYS 41 1HB LYS 41 -5.524 0.325 5.743 308 2HB LYS 41 2HB LYS 41 -5.977 1.717 6.719 309 1HG LYS 41 1HG LYS 41 -5.441 3.161 4.744 310 2HG LYS 41 2HG LYS 41 -5.257 1.681 3.800 311 1HD LYS 41 1HD LYS 41 -7.751 2.376 5.341 312 2HD LYS 41 2HD LYS 41 -7.512 2.776 3.639 313 1HE LYS 41 1HE LYS 41 -7.547 0.551 2.982 314 2HE LYS 41 2HE LYS 41 -7.143 -0.034 4.595 315 1HZ LYS 41 1HZ LYS 41 -9.648 0.120 3.482 316 2HZ LYS 41 2HZ LYS 41 -9.604 1.389 4.599 317 3HZ LYS 41 3HZ LYS 41 -9.282 -0.192 5.105 318 H LEU 42 H LEU 42 -3.194 3.766 5.222 319 HA LEU 42 HA LEU 42 -2.274 2.669 2.729 320 1HB LEU 42 1HB LEU 42 -2.593 5.374 3.903 321 2HB LEU 42 2HB LEU 42 -1.431 5.192 2.591 322 HG LEU 42 HG LEU 42 -3.584 5.963 1.760 323 1HD1 LEU 42 1HD1 LEU 42 -3.778 4.483 -0.051 324 2HD1 LEU 42 2HD1 LEU 42 -3.257 3.101 0.912 325 3HD1 LEU 42 3HD1 LEU 42 -2.098 4.354 0.470 326 1HD2 LEU 42 1HD2 LEU 42 -5.579 4.640 1.927 327 2HD2 LEU 42 2HD2 LEU 42 -4.952 4.916 3.552 328 3HD2 LEU 42 3HD2 LEU 42 -4.712 3.355 2.767 329 H TYR 43 H TYR 43 -0.830 3.760 5.715 330 HA TYR 43 HA TYR 43 1.856 3.757 4.655 331 1HB TYR 43 1HB TYR 43 1.813 5.278 6.355 332 2HB TYR 43 2HB TYR 43 0.571 4.406 7.248 333 HD1 TYR 43 1HD TYR 43 4.153 4.838 6.720 334 HD2 TYR 43 2HD TYR 43 1.183 2.571 8.757 335 HE1 TYR 43 1HE TYR 43 5.873 3.967 8.247 336 HE2 TYR 43 2HE TYR 43 2.896 1.694 10.289 337 HH TYR 43 HH TYR 43 5.697 2.971 10.843 338 H ALA 44 H ALA 44 -0.207 1.619 6.520 339 HA ALA 44 HA ALA 44 1.672 -0.195 7.470 340 1HB ALA 44 1HB ALA 44 -1.222 -0.351 6.807 341 2HB ALA 44 2HB ALA 44 -0.349 -1.852 7.120 342 3HB ALA 44 3HB ALA 44 -0.400 -0.588 8.349 343 H LEU 45 H LEU 45 -0.063 -0.188 4.368 344 HA LEU 45 HA LEU 45 1.195 -2.555 3.403 345 1HB LEU 45 1HB LEU 45 -0.464 -0.393 2.172 346 2HB LEU 45 2HB LEU 45 0.341 -1.583 1.151 347 HG LEU 45 HG LEU 45 -1.804 -2.435 1.390 348 1HD1 LEU 45 1HD1 LEU 45 -0.418 -3.747 3.713 349 2HD1 LEU 45 2HD1 LEU 45 0.054 -4.023 2.036 350 3HD1 LEU 45 3HD1 LEU 45 -1.567 -4.458 2.579 351 1HD2 LEU 45 1HD2 LEU 45 -2.642 -0.899 3.048 352 2HD2 LEU 45 2HD2 LEU 45 -1.663 -1.660 4.302 353 3HD2 LEU 45 3HD2 LEU 45 -2.992 -2.551 3.558 354 H TYR 46 H TYR 46 1.718 0.909 2.843 355 HA TYR 46 HA TYR 46 3.626 0.878 0.892 356 1HB TYR 46 1HB TYR 46 2.862 2.980 1.695 357 2HB TYR 46 2HB TYR 46 3.395 2.631 3.336 358 HD1 TYR 46 1HD TYR 46 4.757 3.058 -0.114 359 HD2 TYR 46 2HD TYR 46 5.421 3.487 4.067 360 HE1 TYR 46 1HE TYR 46 6.893 4.188 -0.575 361 HE2 TYR 46 2HE TYR 46 7.558 4.619 3.617 362 HH TYR 46 HH TYR 46 9.270 4.585 1.605 363 H LYS 47 H LYS 47 4.347 0.798 4.386 364 HA LYS 47 HA LYS 47 7.097 0.248 4.054 365 1HB LYS 47 1HB LYS 47 5.293 -0.274 6.424 366 2HB LYS 47 2HB LYS 47 7.051 -0.334 6.460 367 1HG LYS 47 1HG LYS 47 5.623 2.142 5.578 368 2HG LYS 47 2HG LYS 47 5.860 1.788 7.291 369 1HD LYS 47 1HD LYS 47 8.149 1.732 5.350 370 2HD LYS 47 2HD LYS 47 7.615 3.238 6.100 371 1HE LYS 47 1HE LYS 47 8.164 0.847 7.804 372 2HE LYS 47 2HE LYS 47 9.509 1.813 7.200 373 1HZ LYS 47 1HZ LYS 47 8.257 3.781 8.159 374 2HZ LYS 47 2HZ LYS 47 8.981 2.727 9.266 375 3HZ LYS 47 3HZ LYS 47 7.313 2.652 8.994 376 H GLN 48 H GLN 48 4.320 -1.732 3.827 377 HA GLN 48 HA GLN 48 5.730 -4.204 4.382 378 1HB GLN 48 1HB GLN 48 3.285 -3.775 4.938 379 2HB GLN 48 2HB GLN 48 2.965 -3.915 3.215 380 1HG GLN 48 1HG GLN 48 2.549 -6.052 3.833 381 2HG GLN 48 2HG GLN 48 4.280 -6.186 3.525 382 1HE2 GLN 48 1HE2 GLN 48 3.762 -8.097 4.981 383 2HE2 GLN 48 2HE2 GLN 48 3.977 -7.843 6.676 384 H ALA 49 H ALA 49 4.909 -2.235 1.665 385 HA ALA 49 HA ALA 49 5.590 -4.375 -0.218 386 1HB ALA 49 1HB ALA 49 4.981 -1.983 -1.595 387 2HB ALA 49 2HB ALA 49 4.017 -3.456 -1.481 388 3HB ALA 49 3HB ALA 49 3.796 -2.164 -0.301 389 H THR 50 H THR 50 7.338 -2.449 1.578 390 HA THR 50 HA THR 50 9.348 -2.009 -0.520 391 HB THR 50 HB THR 50 10.037 0.099 0.662 392 HG1 THR 50 1HG THR 50 7.529 -0.303 1.960 393 1HG2 THR 50 1HG2 THR 50 8.903 1.154 -0.940 394 2HG2 THR 50 2HG2 THR 50 7.380 0.897 -0.089 395 3HG2 THR 50 3HG2 THR 50 7.983 -0.327 -1.206 396 H GLU 51 H GLU 51 8.658 -2.346 2.931 397 HA GLU 51 HA GLU 51 11.451 -3.143 3.380 398 1HB GLU 51 1HB GLU 51 9.443 -2.613 5.554 399 2HB GLU 51 2HB GLU 51 11.198 -2.567 5.645 400 1HG GLU 51 1HG GLU 51 9.707 -0.638 3.915 401 2HG GLU 51 2HG GLU 51 9.885 -0.355 5.646 402 H GLY 52 H GLY 52 8.102 -4.156 3.862 403 1HA GLY 52 1HA GLY 52 7.652 -6.543 3.464 404 2HA GLY 52 2HA GLY 52 9.108 -6.885 4.386 405 HA PRO 53 HA PRO 53 5.711 -7.491 7.369 406 1HB PRO 53 1HB PRO 53 7.043 -9.361 8.817 407 2HB PRO 53 2HB PRO 53 6.146 -9.747 7.344 408 1HG PRO 53 1HG PRO 53 9.085 -9.318 7.714 409 2HG PRO 53 2HG PRO 53 8.246 -10.558 6.763 410 1HD PRO 53 1HD PRO 53 9.328 -8.344 5.640 411 2HD PRO 53 2HD PRO 53 7.871 -9.127 4.995 412 H CYS 54 H CYS 54 5.456 -6.500 9.300 413 HA CYS 54 HA CYS 54 7.152 -4.579 10.246 414 1HB CYS 54 1HB CYS 54 4.917 -4.604 11.051 415 2HB CYS 54 2HB CYS 54 5.090 -6.230 11.700 416 HG CYS 54 HG CYS 54 6.470 -5.585 13.910 417 H ASN 55 H ASN 55 9.250 -4.893 10.671 418 HA ASN 55 HA ASN 55 9.962 -7.056 12.542 419 1HB ASN 55 1HB ASN 55 12.083 -7.292 11.450 420 2HB ASN 55 2HB ASN 55 10.843 -7.335 10.200 421 1HD2 ASN 55 1HD2 ASN 55 10.449 -5.343 9.017 422 2HD2 ASN 55 2HD2 ASN 55 11.767 -4.261 8.738 423 H MET 56 H MET 56 9.258 -4.072 12.801 424 HA MET 56 HA MET 56 11.723 -3.056 13.991 425 1HB MET 56 1HB MET 56 10.234 -0.992 14.368 426 2HB MET 56 2HB MET 56 10.687 -1.389 12.716 427 1HG MET 56 1HG MET 56 8.542 -2.316 12.268 428 2HG MET 56 2HG MET 56 8.082 -2.212 13.966 429 1HE MET 56 1HE MET 56 8.641 0.116 15.165 430 2HE MET 56 2HE MET 56 9.598 1.150 14.104 431 3HE MET 56 3HE MET 56 7.955 1.618 14.545 432 HA PRO 57 HA PRO 57 10.625 -3.958 18.144 433 1HB PRO 57 1HB PRO 57 11.711 -1.838 19.446 434 2HB PRO 57 2HB PRO 57 12.685 -3.134 18.741 435 1HG PRO 57 1HG PRO 57 12.062 -0.420 17.643 436 2HG PRO 57 2HG PRO 57 13.603 -1.297 17.651 437 1HD PRO 57 1HD PRO 57 12.006 -1.178 15.468 438 2HD PRO 57 2HD PRO 57 13.022 -2.588 15.832 439 H LYS 58 H LYS 58 8.935 -3.658 19.491 440 HA LYS 58 HA LYS 58 6.850 -1.907 18.830 441 1HB LYS 58 1HB LYS 58 6.585 -4.025 20.105 442 2HB LYS 58 2HB LYS 58 7.344 -3.254 21.492 443 1HG LYS 58 1HG LYS 58 5.512 -1.990 21.971 444 2HG LYS 58 2HG LYS 58 4.977 -1.927 20.290 445 1HD LYS 58 1HD LYS 58 4.480 -4.418 20.533 446 2HD LYS 58 2HD LYS 58 4.670 -4.169 22.270 447 1HE LYS 58 1HE LYS 58 2.928 -2.403 22.149 448 2HE LYS 58 2HE LYS 58 2.689 -2.806 20.449 449 1HZ LYS 58 1HZ LYS 58 2.116 -5.078 21.149 450 2HZ LYS 58 2HZ LYS 58 1.052 -3.923 21.776 451 3HZ LYS 58 3HZ LYS 58 2.240 -4.605 22.769 452 HA PRO 59 HA PRO 59 8.441 1.848 20.604 453 1HB PRO 59 1HB PRO 59 6.234 3.354 20.122 454 2HB PRO 59 2HB PRO 59 7.399 2.926 18.863 455 1HG PRO 59 1HG PRO 59 4.755 1.676 19.500 456 2HG PRO 59 2HG PRO 59 5.452 2.074 17.919 457 1HD PRO 59 1HD PRO 59 5.478 -0.437 18.932 458 2HD PRO 59 2HD PRO 59 6.769 0.184 17.883 459 H GLY 60 H GLY 60 7.301 3.632 22.060 460 1HA GLY 60 1HA GLY 60 6.179 2.152 24.338 461 2HA GLY 60 2HA GLY 60 6.992 3.708 24.427 462 H VAL 61 H VAL 61 4.362 2.850 25.456 463 HA VAL 61 HA VAL 61 2.168 3.678 24.062 464 HB VAL 61 HB VAL 61 1.227 4.461 26.279 465 1HG1 VAL 61 1HG1 VAL 61 0.783 2.238 25.641 466 2HG1 VAL 61 2HG1 VAL 61 2.446 1.734 25.947 467 3HG1 VAL 61 3HG1 VAL 61 1.384 2.140 27.295 468 1HG2 VAL 61 1HG2 VAL 61 2.898 5.195 27.636 469 2HG2 VAL 61 2HG2 VAL 61 2.829 3.520 28.184 470 3HG2 VAL 61 3HG2 VAL 61 4.062 4.019 27.026 471 H PHE 62 H PHE 62 4.228 5.782 26.073 472 HA PHE 62 HA PHE 62 3.032 8.190 25.802 473 1HB PHE 62 1HB PHE 62 5.993 8.009 25.330 474 2HB PHE 62 2HB PHE 62 5.093 9.207 26.254 475 HD1 PHE 62 1HD PHE 62 7.542 7.221 26.881 476 HD2 PHE 62 2HD PHE 62 3.421 7.407 27.930 477 HE1 PHE 62 1HE PHE 62 8.015 5.975 28.949 478 HE2 PHE 62 2HE PHE 62 3.888 6.162 30.000 479 HZ PHE 62 HZ PHE 62 6.188 5.445 30.512 480 H ASP 63 H ASP 63 4.812 6.475 23.319 481 HA ASP 63 HA ASP 63 4.604 8.698 21.457 482 1HB ASP 63 1HB ASP 63 5.965 6.039 21.451 483 2HB ASP 63 2HB ASP 63 5.603 6.799 19.904 484 H LEU 64 H LEU 64 2.301 8.807 21.345 485 HA LEU 64 HA LEU 64 0.734 6.592 20.469 486 1HB LEU 64 1HB LEU 64 0.055 9.523 20.313 487 2HB LEU 64 2HB LEU 64 -1.073 8.169 20.271 488 HG LEU 64 HG LEU 64 0.614 8.939 22.652 489 1HD1 LEU 64 1HD1 LEU 64 -2.338 9.350 22.205 490 2HD1 LEU 64 2HD1 LEU 64 -1.117 10.615 22.071 491 3HD1 LEU 64 3HD1 LEU 64 -1.398 9.823 23.621 492 1HD2 LEU 64 1HD2 LEU 64 -0.183 7.134 23.724 493 2HD2 LEU 64 2HD2 LEU 64 -0.432 6.500 22.097 494 3HD2 LEU 64 3HD2 LEU 64 -1.770 7.253 22.964 495 H ILE 65 H ILE 65 2.892 8.604 18.879 496 HA ILE 65 HA ILE 65 1.532 8.614 16.322 497 HB ILE 65 HB ILE 65 4.264 9.550 17.180 498 1HG1 ILE 65 1HG1 ILE 65 3.131 11.728 16.219 499 2HG1 ILE 65 2HG1 ILE 65 1.643 10.839 16.526 500 1HG2 ILE 65 1HG2 ILE 65 3.332 8.854 14.534 501 2HG2 ILE 65 2HG2 ILE 65 3.781 10.556 14.638 502 3HG2 ILE 65 3HG2 ILE 65 4.948 9.309 15.077 503 1HD1 ILE 65 1HD1 ILE 65 3.525 10.833 18.762 504 2HD1 ILE 65 2HD1 ILE 65 2.913 12.427 18.320 505 3HD1 ILE 65 3HD1 ILE 65 1.788 11.134 18.733 506 H ASN 66 H ASN 66 4.332 7.012 17.792 507 HA ASN 66 HA ASN 66 4.922 5.485 15.433 508 1HB ASN 66 1HB ASN 66 5.909 4.807 18.192 509 2HB ASN 66 2HB ASN 66 6.715 4.570 16.644 510 1HD2 ASN 66 1HD2 ASN 66 6.238 7.133 15.573 511 2HD2 ASN 66 2HD2 ASN 66 7.199 8.265 16.456 512 H LYS 67 H LYS 67 3.217 4.933 18.462 513 HA LYS 67 HA LYS 67 2.876 2.149 18.206 514 1HB LYS 67 1HB LYS 67 2.396 3.832 20.196 515 2HB LYS 67 2HB LYS 67 0.773 3.811 19.519 516 1HG LYS 67 1HG LYS 67 0.896 2.188 21.267 517 2HG LYS 67 2HG LYS 67 0.773 1.340 19.724 518 1HD LYS 67 1HD LYS 67 3.026 0.701 19.767 519 2HD LYS 67 2HD LYS 67 3.435 1.903 20.994 520 1HE LYS 67 1HE LYS 67 1.669 0.508 22.400 521 2HE LYS 67 2HE LYS 67 2.164 -0.766 21.286 522 1HZ LYS 67 1HZ LYS 67 3.503 -0.778 23.294 523 2HZ LYS 67 2HZ LYS 67 3.985 0.819 23.016 524 3HZ LYS 67 3HZ LYS 67 4.459 -0.405 21.949 525 H ALA 68 H ALA 68 0.845 4.876 17.198 526 HA ALA 68 HA ALA 68 -1.374 3.494 16.288 527 1HB ALA 68 1HB ALA 68 -1.822 5.416 14.863 528 2HB ALA 68 2HB ALA 68 -1.266 5.933 16.456 529 3HB ALA 68 3HB ALA 68 -0.164 5.978 15.080 530 H LYS 69 H LYS 69 1.673 4.166 14.621 531 HA LYS 69 HA LYS 69 0.837 2.967 12.157 532 1HB LYS 69 1HB LYS 69 3.386 4.076 13.242 533 2HB LYS 69 2HB LYS 69 3.470 3.010 11.846 534 1HG LYS 69 1HG LYS 69 3.299 5.012 10.787 535 2HG LYS 69 2HG LYS 69 1.585 4.621 10.942 536 1HD LYS 69 1HD LYS 69 1.754 5.899 13.193 537 2HD LYS 69 2HD LYS 69 3.231 6.576 12.504 538 1HE LYS 69 1HE LYS 69 1.653 7.021 10.440 539 2HE LYS 69 2HE LYS 69 0.395 6.944 11.672 540 1HZ LYS 69 1HZ LYS 69 2.388 8.980 11.197 541 2HZ LYS 69 2HZ LYS 69 2.200 8.558 12.824 542 3HZ LYS 69 3HZ LYS 69 0.869 9.101 11.933 543 H TRP 70 H TRP 70 3.083 1.985 14.741 544 HA TRP 70 HA TRP 70 3.976 -0.410 13.849 545 1HB TRP 70 1HB TRP 70 4.363 0.731 16.125 546 2HB TRP 70 2HB TRP 70 2.942 -0.157 16.666 547 HD1 TRP 70 HD TRP 70 6.507 -0.798 15.335 548 HE1 TRP 70 1HE TRP 70 7.269 -3.112 16.164 549 HE3 TRP 70 3HE TRP 70 2.160 -2.343 17.537 550 HZ2 TRP 70 2HZ TRP 70 6.172 -5.303 17.566 551 HZ3 TRP 70 3HZ TRP 70 2.100 -4.562 18.600 552 HH2 TRP 70 HH TRP 70 4.065 -6.010 18.612 553 H ASP 71 H ASP 71 0.845 0.133 15.440 554 HA ASP 71 HA ASP 71 -0.014 -2.557 15.303 555 1HB ASP 71 1HB ASP 71 -1.349 0.073 15.790 556 2HB ASP 71 2HB ASP 71 -2.352 -1.336 15.458 557 H ALA 72 H ALA 72 -0.081 0.083 13.036 558 HA ALA 72 HA ALA 72 -2.004 -1.096 11.267 559 1HB ALA 72 1HB ALA 72 -1.215 0.670 9.680 560 2HB ALA 72 2HB ALA 72 -1.783 1.278 11.236 561 3HB ALA 72 3HB ALA 72 -0.053 1.170 10.909 562 H TRP 73 H TRP 73 1.527 -0.623 11.083 563 HA TRP 73 HA TRP 73 1.818 -2.193 8.729 564 1HB TRP 73 1HB TRP 73 3.434 -0.444 9.385 565 2HB TRP 73 2HB TRP 73 3.905 -1.416 10.777 566 HD1 TRP 73 HD TRP 73 3.352 -3.480 7.713 567 HE1 TRP 73 1HE TRP 73 5.615 -4.196 6.717 568 HE3 TRP 73 3HE TRP 73 6.435 -0.450 10.443 569 HZ2 TRP 73 2HZ TRP 73 8.346 -3.561 7.046 570 HZ3 TRP 73 3HZ TRP 73 8.860 -0.566 10.042 571 HH2 TRP 73 HH TRP 73 9.793 -2.090 8.378 572 H ASN 74 H ASN 74 1.871 -2.889 12.149 573 HA ASN 74 HA ASN 74 3.092 -5.449 11.963 574 1HB ASN 74 1HB ASN 74 3.096 -4.297 14.080 575 2HB ASN 74 2HB ASN 74 1.337 -4.210 14.090 576 1HD2 ASN 74 1HD2 ASN 74 1.187 -5.268 16.054 577 2HD2 ASN 74 2HD2 ASN 74 1.490 -6.961 16.218 578 H ALA 75 H ALA 75 -0.284 -4.370 12.140 579 HA ALA 75 HA ALA 75 -1.657 -6.701 12.333 580 1HB ALA 75 1HB ALA 75 -2.961 -5.265 10.279 581 2HB ALA 75 2HB ALA 75 -3.328 -5.281 12.005 582 3HB ALA 75 3HB ALA 75 -2.211 -4.083 11.353 583 H LEU 76 H LEU 76 -0.066 -5.451 9.438 584 HA LEU 76 HA LEU 76 -1.024 -7.195 7.527 585 1HB LEU 76 1HB LEU 76 1.603 -5.819 7.896 586 2HB LEU 76 2HB LEU 76 1.379 -6.947 6.560 587 HG LEU 76 HG LEU 76 1.051 -4.444 6.110 588 1HD1 LEU 76 1HD1 LEU 76 -0.555 -6.747 5.244 589 2HD1 LEU 76 2HD1 LEU 76 0.373 -5.586 4.297 590 3HD1 LEU 76 3HD1 LEU 76 -1.239 -5.164 4.873 591 1HD2 LEU 76 1HD2 LEU 76 -0.308 -3.899 8.030 592 2HD2 LEU 76 2HD2 LEU 76 -1.531 -5.071 7.537 593 3HD2 LEU 76 3HD2 LEU 76 -1.239 -3.635 6.555 594 H GLY 77 H GLY 77 1.892 -7.636 9.539 595 1HA GLY 77 1HA GLY 77 2.644 -9.631 10.496 596 2HA GLY 77 2HA GLY 77 1.411 -10.501 9.595 597 H SER 78 H SER 78 2.344 -11.955 8.329 598 HA SER 78 HA SER 78 4.980 -11.439 7.205 599 1HB SER 78 1HB SER 78 3.237 -13.915 7.137 600 2HB SER 78 2HB SER 78 4.872 -13.813 6.483 601 HG SER 78 HG SER 78 5.243 -12.980 8.830 602 H LEU 79 H LEU 79 2.488 -10.069 6.271 603 HA LEU 79 HA LEU 79 1.665 -11.034 3.779 604 1HB LEU 79 1HB LEU 79 0.699 -9.138 5.209 605 2HB LEU 79 2HB LEU 79 1.899 -8.113 4.425 606 HG LEU 79 HG LEU 79 -0.326 -7.928 3.397 607 1HD1 LEU 79 1HD1 LEU 79 1.489 -9.297 1.445 608 2HD1 LEU 79 2HD1 LEU 79 1.896 -7.727 2.136 609 3HD1 LEU 79 3HD1 LEU 79 0.420 -7.918 1.189 610 1HD2 LEU 79 1HD2 LEU 79 -1.589 -9.710 3.014 611 2HD2 LEU 79 2HD2 LEU 79 -0.309 -10.740 3.657 612 3HD2 LEU 79 3HD2 LEU 79 -0.365 -10.375 1.932 613 HA PRO 80 HA PRO 80 5.414 -10.433 1.459 614 1HB PRO 80 1HB PRO 80 4.389 -11.188 -0.939 615 2HB PRO 80 2HB PRO 80 4.831 -12.344 0.324 616 1HG PRO 80 1HG PRO 80 2.135 -11.254 -0.389 617 2HG PRO 80 2HG PRO 80 2.599 -12.918 0.010 618 1HD PRO 80 1HD PRO 80 1.416 -11.268 1.801 619 2HD PRO 80 2HD PRO 80 2.589 -12.511 2.279 620 H LYS 81 H LYS 81 6.171 -9.087 -0.267 621 HA LYS 81 HA LYS 81 5.008 -6.525 -0.327 622 1HB LYS 81 1HB LYS 81 7.152 -7.833 -1.992 623 2HB LYS 81 2HB LYS 81 6.654 -6.168 -2.257 624 1HG LYS 81 1HG LYS 81 7.559 -5.435 -0.282 625 2HG LYS 81 2HG LYS 81 7.439 -7.020 0.486 626 1HD LYS 81 1HD LYS 81 9.203 -7.787 -1.178 627 2HD LYS 81 2HD LYS 81 9.443 -6.079 -1.552 628 1HE LYS 81 1HE LYS 81 9.793 -5.739 0.940 629 2HE LYS 81 2HE LYS 81 9.883 -7.495 1.066 630 1HZ LYS 81 1HZ LYS 81 12.003 -7.364 0.497 631 2HZ LYS 81 2HZ LYS 81 11.894 -5.689 0.293 632 3HZ LYS 81 3HZ LYS 81 11.571 -6.722 -1.007 633 H GLU 82 H GLU 82 5.123 -9.087 -2.793 634 HA GLU 82 HA GLU 82 3.867 -7.856 -4.886 635 1HB GLU 82 1HB GLU 82 3.049 -10.082 -5.559 636 2HB GLU 82 2HB GLU 82 4.730 -10.122 -5.044 637 1HG GLU 82 1HG GLU 82 4.104 -11.054 -2.915 638 2HG GLU 82 2HG GLU 82 2.394 -10.904 -3.316 639 H ALA 83 H ALA 83 2.319 -9.413 -2.101 640 HA ALA 83 HA ALA 83 -0.333 -8.754 -3.003 641 1HB ALA 83 1HB ALA 83 -1.117 -9.937 -1.174 642 2HB ALA 83 2HB ALA 83 0.415 -10.740 -1.519 643 3HB ALA 83 3HB ALA 83 0.309 -9.575 -0.199 644 H ALA 84 H ALA 84 1.974 -7.469 -0.668 645 HA ALA 84 HA ALA 84 0.344 -5.682 0.696 646 1HB ALA 84 1HB ALA 84 3.158 -4.961 -0.028 647 2HB ALA 84 2HB ALA 84 2.284 -4.676 1.478 648 3HB ALA 84 3HB ALA 84 2.825 -6.303 1.066 649 H ARG 85 H ARG 85 2.241 -5.127 -2.266 650 HA ARG 85 HA ARG 85 1.530 -2.452 -2.650 651 1HB ARG 85 1HB ARG 85 2.498 -4.637 -4.448 652 2HB ARG 85 2HB ARG 85 1.941 -3.129 -5.161 653 1HG ARG 85 1HG ARG 85 3.570 -2.057 -3.413 654 2HG ARG 85 2HG ARG 85 4.318 -3.655 -3.452 655 1HD ARG 85 1HD ARG 85 3.764 -1.964 -5.886 656 2HD ARG 85 2HD ARG 85 5.316 -2.033 -5.052 657 HE ARG 85 HE ARG 85 4.288 -3.935 -6.899 658 1HH1 ARG 85 2HH1 ARG 85 6.232 -3.614 -4.029 659 2HH1 ARG 85 1HH1 ARG 85 7.160 -5.044 -4.340 660 1HH2 ARG 85 2HH2 ARG 85 5.503 -5.819 -7.320 661 2HH2 ARG 85 1HH2 ARG 85 6.746 -6.297 -6.213 662 H GLN 86 H GLN 86 -0.081 -5.433 -3.620 663 HA GLN 86 HA GLN 86 -2.024 -4.284 -5.299 664 1HB GLN 86 1HB GLN 86 -1.700 -6.633 -5.423 665 2HB GLN 86 2HB GLN 86 -1.973 -6.836 -3.697 666 1HG GLN 86 1HG GLN 86 -3.933 -7.612 -4.656 667 2HG GLN 86 2HG GLN 86 -4.336 -5.967 -4.167 668 1HE2 GLN 86 1HE2 GLN 86 -3.899 -4.301 -5.924 669 2HE2 GLN 86 2HE2 GLN 86 -4.415 -4.723 -7.518 670 H ASN 87 H ASN 87 -2.000 -4.944 -1.824 671 HA ASN 87 HA ASN 87 -4.677 -4.239 -1.315 672 1HB ASN 87 1HB ASN 87 -2.204 -4.434 0.372 673 2HB ASN 87 2HB ASN 87 -3.678 -3.752 1.055 674 1HD2 ASN 87 1HD2 ASN 87 -1.990 -6.572 0.276 675 2HD2 ASN 87 2HD2 ASN 87 -3.230 -7.713 0.658 676 H TYR 88 H TYR 88 -1.680 -2.343 -1.020 677 HA TYR 88 HA TYR 88 -2.715 0.033 -0.097 678 1HB TYR 88 1HB TYR 88 -0.306 -0.405 -0.385 679 2HB TYR 88 2HB TYR 88 -0.499 -0.297 -2.131 680 HD1 TYR 88 1HD TYR 88 0.137 1.511 0.878 681 HD2 TYR 88 2HD TYR 88 -1.343 1.928 -3.089 682 HE1 TYR 88 1HE TYR 88 0.530 3.937 0.993 683 HE2 TYR 88 2HE TYR 88 -0.953 4.354 -2.986 684 HH TYR 88 HH TYR 88 0.973 5.819 -0.871 685 H VAL 89 H VAL 89 -2.129 -0.747 -3.531 686 HA VAL 89 HA VAL 89 -3.414 1.505 -4.583 687 HB VAL 89 HB VAL 89 -3.575 0.213 -6.698 688 1HG1 VAL 89 1HG1 VAL 89 -1.153 -0.099 -6.998 689 2HG1 VAL 89 2HG1 VAL 89 -1.532 1.409 -6.164 690 3HG1 VAL 89 3HG1 VAL 89 -0.934 0.022 -5.252 691 1HG2 VAL 89 1HG2 VAL 89 -2.442 -2.058 -6.668 692 2HG2 VAL 89 2HG2 VAL 89 -2.662 -2.033 -4.918 693 3HG2 VAL 89 3HG2 VAL 89 -4.066 -1.981 -5.984 694 H ASP 90 H ASP 90 -4.648 -1.750 -3.914 695 HA ASP 90 HA ASP 90 -7.159 -1.597 -5.013 696 1HB ASP 90 1HB ASP 90 -6.023 -3.025 -2.658 697 2HB ASP 90 2HB ASP 90 -7.775 -3.002 -2.834 698 H LEU 91 H LEU 91 -5.967 -0.065 -2.109 699 HA LEU 91 HA LEU 91 -8.556 0.724 -1.153 700 1HB LEU 91 1HB LEU 91 -6.616 0.389 0.334 701 2HB LEU 91 2HB LEU 91 -5.827 1.774 -0.418 702 HG LEU 91 HG LEU 91 -6.879 2.187 1.833 703 1HD1 LEU 91 1HD1 LEU 91 -7.473 4.374 1.292 704 2HD1 LEU 91 2HD1 LEU 91 -8.114 3.913 -0.284 705 3HD1 LEU 91 3HD1 LEU 91 -6.373 3.904 -0.004 706 1HD2 LEU 91 1HD2 LEU 91 -9.470 2.154 0.304 707 2HD2 LEU 91 2HD2 LEU 91 -9.229 2.372 2.038 708 3HD2 LEU 91 3HD2 LEU 91 -8.922 0.802 1.294 709 H VAL 92 H VAL 92 -5.787 2.600 -2.404 710 HA VAL 92 HA VAL 92 -6.932 5.068 -2.617 711 HB VAL 92 HB VAL 92 -5.094 3.835 -4.675 712 1HG1 VAL 92 1HG1 VAL 92 -4.686 6.630 -4.205 713 2HG1 VAL 92 2HG1 VAL 92 -5.088 5.800 -5.709 714 3HG1 VAL 92 3HG1 VAL 92 -6.373 6.339 -4.628 715 1HG2 VAL 92 1HG2 VAL 92 -3.861 3.596 -2.758 716 2HG2 VAL 92 2HG2 VAL 92 -3.422 5.244 -3.206 717 3HG2 VAL 92 3HG2 VAL 92 -4.635 4.964 -1.958 718 H SER 93 H SER 93 -7.562 2.268 -4.580 719 HA SER 93 HA SER 93 -8.891 3.692 -6.688 720 1HB SER 93 1HB SER 93 -8.336 0.862 -6.021 721 2HB SER 93 2HB SER 93 -9.789 1.154 -6.976 722 HG SER 93 HG SER 93 -8.337 1.104 -8.532 723 H SER 94 H SER 94 -9.830 2.141 -3.696 724 HA SER 94 HA SER 94 -12.602 1.990 -4.149 725 1HB SER 94 1HB SER 94 -11.751 0.751 -2.317 726 2HB SER 94 2HB SER 94 -10.951 2.165 -1.631 727 HG SER 94 HG SER 94 -13.077 3.035 -1.275 728 H LEU 95 H LEU 95 -10.563 4.559 -2.844 729 HA LEU 95 HA LEU 95 -12.619 6.289 -2.018 730 1HB LEU 95 1HB LEU 95 -9.820 6.895 -2.956 731 2HB LEU 95 2HB LEU 95 -10.891 8.065 -2.189 732 HG LEU 95 HG LEU 95 -10.096 5.521 -0.805 733 1HD1 LEU 95 1HD1 LEU 95 -8.621 7.783 0.135 734 2HD1 LEU 95 2HD1 LEU 95 -8.316 7.552 -1.587 735 3HD1 LEU 95 3HD1 LEU 95 -8.027 6.230 -0.455 736 1HD2 LEU 95 1HD2 LEU 95 -11.046 6.423 1.036 737 2HD2 LEU 95 2HD2 LEU 95 -11.977 7.324 -0.161 738 3HD2 LEU 95 3HD2 LEU 95 -10.575 8.068 0.610 739 H SER 96 H SER 96 -10.845 6.060 -5.083 740 HA SER 96 HA SER 96 -12.006 8.255 -6.365 741 1HB SER 96 1HB SER 96 -11.153 7.356 -8.397 742 2HB SER 96 2HB SER 96 -10.016 6.868 -7.141 743 HG SER 96 HG SER 96 -11.083 5.281 -8.819 744 HA PRO 97 HA PRO 97 -16.160 7.009 -7.115 745 1HB PRO 97 1HB PRO 97 -16.702 8.582 -9.260 746 2HB PRO 97 2HB PRO 97 -16.571 9.214 -7.615 747 1HG PRO 97 1HG PRO 97 -14.542 9.229 -9.816 748 2HG PRO 97 2HG PRO 97 -14.969 10.521 -8.679 749 1HD PRO 97 1HD PRO 97 -12.778 8.963 -8.358 750 2HD PRO 97 2HD PRO 97 -13.688 9.626 -6.986 751 H SER 98 H SER 98 -14.219 7.369 -10.092 752 HA SER 98 HA SER 98 -14.723 4.663 -10.883 753 1HB SER 98 1HB SER 98 -15.988 5.132 -12.912 754 2HB SER 98 2HB SER 98 -16.873 5.734 -11.511 755 HG SER 98 HG SER 98 -15.462 7.176 -13.477 756 H LEU 99 H LEU 99 -12.826 4.083 -11.685 757 HA LEU 99 HA LEU 99 -11.573 5.672 -13.763 758 1HB LEU 99 1HB LEU 99 -10.436 5.306 -11.039 759 2HB LEU 99 2HB LEU 99 -9.337 5.268 -12.415 760 HG LEU 99 HG LEU 99 -11.209 7.565 -11.882 761 1HD1 LEU 99 1HD1 LEU 99 -9.670 8.622 -10.569 762 2HD1 LEU 99 2HD1 LEU 99 -8.310 7.720 -11.240 763 3HD1 LEU 99 3HD1 LEU 99 -9.391 6.951 -10.077 764 1HD2 LEU 99 1HD2 LEU 99 -8.900 8.392 -13.198 765 2HD2 LEU 99 2HD2 LEU 99 -10.506 8.186 -13.898 766 3HD2 LEU 99 3HD2 LEU 99 -9.337 6.866 -13.966 767 H GLU 100 H GLU 100 -10.660 4.408 -15.265 768 HA GLU 100 HA GLU 100 -10.608 1.534 -14.778 769 1HB GLU 100 1HB GLU 100 -10.349 1.321 -17.196 770 2HB GLU 100 2HB GLU 100 -11.715 2.356 -16.806 771 1HG GLU 100 1HG GLU 100 -10.041 4.294 -17.107 772 2HG GLU 100 2HG GLU 100 -9.055 3.098 -17.947 773 H SER 101 H SER 101 -8.798 0.750 -13.925 774 HA SER 101 HA SER 101 -6.265 2.037 -14.166 775 1HB SER 101 1HB SER 101 -5.398 0.091 -12.934 776 2HB SER 101 2HB SER 101 -6.861 0.721 -12.177 777 HG SER 101 HG SER 101 -7.672 -1.188 -12.425 778 H SER 102 H SER 102 -5.125 2.047 -15.981 779 HA SER 102 HA SER 102 -4.961 -0.446 -17.543 780 1HB SER 102 1HB SER 102 -6.311 1.345 -18.675 781 2HB SER 102 2HB SER 102 -4.861 2.349 -18.699 782 HG SER 102 HG SER 102 -4.736 1.346 -20.596 783 H SER 103 H SER 103 -2.990 -1.261 -17.375 784 HA SER 103 HA SER 103 -0.673 0.360 -17.924 785 1HB SER 103 1HB SER 103 -1.235 -0.688 -15.167 786 2HB SER 103 2HB SER 103 0.429 -0.537 -15.732 787 HG SER 103 HG SER 103 -0.782 1.333 -14.614 788 H GLN 104 H GLN 104 0.332 -0.865 -19.366 789 HA GLN 104 HA GLN 104 0.161 -3.764 -19.215 790 1HB GLN 104 1HB GLN 104 0.829 -3.813 -21.437 791 2HB GLN 104 2HB GLN 104 -0.058 -2.297 -21.350 792 1HG GLN 104 1HG GLN 104 2.932 -2.521 -21.118 793 2HG GLN 104 2HG GLN 104 2.072 -2.172 -22.617 794 1HE2 GLN 104 1HE2 GLN 104 3.985 -0.636 -20.846 795 2HE2 GLN 104 2HE2 GLN 104 3.209 0.890 -20.614 796 H VAL 105 H VAL 105 1.820 -5.124 -18.763 797 HA VAL 105 HA VAL 105 4.112 -4.018 -17.419 798 HB VAL 105 HB VAL 105 2.992 -6.056 -16.589 799 1HG1 VAL 105 1HG1 VAL 105 2.712 -7.944 -17.787 800 2HG1 VAL 105 2HG1 VAL 105 2.888 -6.857 -19.166 801 3HG1 VAL 105 3HG1 VAL 105 4.272 -7.789 -18.594 802 1HG2 VAL 105 1HG2 VAL 105 5.639 -5.484 -16.575 803 2HG2 VAL 105 2HG2 VAL 105 4.910 -6.824 -15.692 804 3HG2 VAL 105 3HG2 VAL 105 5.653 -7.106 -17.266 805 H GLU 106 H GLU 106 6.297 -4.361 -17.969 806 HA GLU 106 HA GLU 106 6.731 -4.766 -20.850 807 1HB GLU 106 1HB GLU 106 8.797 -3.460 -20.555 808 2HB GLU 106 2HB GLU 106 7.371 -2.553 -20.070 809 1HG GLU 106 1HG GLU 106 8.837 -4.070 -17.984 810 2HG GLU 106 2HG GLU 106 9.566 -2.592 -18.611 811 HA PRO 107 HA PRO 107 9.075 -8.407 -20.111 812 1HB PRO 107 1HB PRO 107 10.795 -8.312 -22.210 813 2HB PRO 107 2HB PRO 107 9.080 -8.703 -22.390 814 1HG PRO 107 1HG PRO 107 10.489 -6.103 -22.857 815 2HG PRO 107 2HG PRO 107 9.235 -6.888 -23.835 816 1HD PRO 107 1HD PRO 107 8.692 -4.859 -22.127 817 2HD PRO 107 2HD PRO 107 7.532 -6.159 -22.464 818 H GLY 108 H GLY 108 10.742 -8.917 -18.822 819 1HA GLY 108 1HA GLY 108 13.303 -8.515 -18.756 820 2HA GLY 108 2HA GLY 108 12.807 -6.871 -18.382 821 H THR 109 H THR 109 13.818 -9.696 -17.050 822 HA THR 109 HA THR 109 13.070 -8.837 -14.395 823 HB THR 109 HB THR 109 12.203 -11.572 -15.353 824 HG1 THR 109 1HG THR 109 10.430 -9.631 -14.362 825 1HG2 THR 109 1HG2 THR 109 11.015 -11.419 -13.032 826 2HG2 THR 109 2HG2 THR 109 12.278 -10.240 -12.675 827 3HG2 THR 109 3HG2 THR 109 12.712 -11.891 -13.118 828 H ASP 110 H ASP 110 14.263 -9.903 -12.730 829 HA ASP 110 HA ASP 110 16.300 -11.818 -13.500 830 1HB ASP 110 1HB ASP 110 17.624 -9.977 -14.018 831 2HB ASP 110 2HB ASP 110 16.903 -8.978 -12.759 832 H SER 111 H SER 111 17.172 -12.954 -11.763 833 HA SER 111 HA SER 111 16.161 -12.277 -9.092 834 1HB SER 111 1HB SER 111 15.336 -14.452 -8.675 835 2HB SER 111 2HB SER 111 14.746 -14.056 -10.289 836 HG SER 111 HG SER 111 16.921 -15.149 -10.868 837 H GLY 112 H GLY 112 17.218 -13.851 -7.428 838 1HA GLY 112 1HA GLY 112 20.094 -13.927 -8.077 839 2HA GLY 112 2HA GLY 112 19.433 -13.715 -6.462 840 HA PRO 113 HA PRO 113 20.689 -18.122 -6.753 841 1HB PRO 113 1HB PRO 113 21.541 -18.268 -4.180 842 2HB PRO 113 2HB PRO 113 22.561 -17.677 -5.497 843 1HG PRO 113 1HG PRO 113 20.993 -16.126 -3.472 844 2HG PRO 113 2HG PRO 113 22.638 -15.843 -4.070 845 1HD PRO 113 1HD PRO 113 20.502 -14.439 -4.964 846 2HD PRO 113 2HD PRO 113 21.898 -14.815 -5.995 847 H SER 114 H SER 114 18.887 -16.410 -4.233 848 HA SER 114 HA SER 114 17.223 -18.818 -3.886 849 1HB SER 114 1HB SER 114 18.538 -18.264 -1.863 850 2HB SER 114 2HB SER 114 17.791 -16.667 -1.831 851 HG SER 114 HG SER 114 15.735 -17.955 -1.796 852 H SER 115 H SER 115 15.000 -18.568 -3.792 853 HA SER 115 HA SER 115 13.901 -15.884 -4.178 854 1HB SER 115 1HB SER 115 14.350 -17.275 -6.390 855 2HB SER 115 2HB SER 115 12.837 -18.057 -5.931 856 HG SER 115 HG SER 115 12.721 -16.105 -7.318 857 H GLY 116 H GLY 116 11.790 -15.623 -3.468 858 1HA GLY 116 1HA GLY 116 9.656 -16.682 -2.852 859 2HA GLY 116 2HA GLY 116 10.602 -17.980 -2.139 Start of MODEL 12 1 1H GLY 1 H GLY 1 -19.458 3.808 -20.452 2 1HA GLY 1 1HA GLY 1 -20.916 5.857 -19.730 3 2HA GLY 1 2HA GLY 1 -19.921 6.663 -20.934 4 H SER 2 H SER 2 -19.753 4.693 -22.876 5 HA SER 2 HA SER 2 -22.570 4.384 -23.687 6 1HB SER 2 1HB SER 2 -22.000 4.916 -25.937 7 2HB SER 2 2HB SER 2 -21.224 6.146 -24.939 8 HG SER 2 HG SER 2 -19.457 5.549 -25.890 9 H SER 3 H SER 3 -21.265 2.396 -22.264 10 HA SER 3 HA SER 3 -20.401 0.414 -24.232 11 1HB SER 3 1HB SER 3 -20.152 0.695 -21.272 12 2HB SER 3 2HB SER 3 -20.153 -0.933 -21.949 13 HG SER 3 HG SER 3 -18.508 0.135 -23.471 14 H GLY 4 H GLY 4 -21.197 -1.907 -23.687 15 1HA GLY 4 1HA GLY 4 -24.110 -1.797 -23.799 16 2HA GLY 4 2HA GLY 4 -23.103 -3.178 -24.209 17 H SER 5 H SER 5 -21.852 -4.074 -22.244 18 HA SER 5 HA SER 5 -23.838 -4.560 -20.167 19 1HB SER 5 1HB SER 5 -21.172 -5.904 -20.677 20 2HB SER 5 2HB SER 5 -22.375 -6.421 -19.496 21 HG SER 5 HG SER 5 -23.751 -6.335 -21.618 22 H SER 6 H SER 6 -23.812 -2.923 -18.719 23 HA SER 6 HA SER 6 -21.917 -1.227 -17.896 24 1HB SER 6 1HB SER 6 -23.954 -2.687 -16.219 25 2HB SER 6 2HB SER 6 -22.926 -1.423 -15.544 26 HG SER 6 HG SER 6 -24.549 -1.059 -17.839 27 H GLY 7 H GLY 7 -22.298 -4.486 -16.497 28 1HA GLY 7 1HA GLY 7 -19.421 -4.451 -15.878 29 2HA GLY 7 2HA GLY 7 -20.571 -4.857 -14.613 30 H MET 8 H MET 8 -21.322 -6.903 -14.461 31 HA MET 8 HA MET 8 -21.464 -9.146 -14.803 32 1HB MET 8 1HB MET 8 -21.637 -8.041 -17.574 33 2HB MET 8 2HB MET 8 -21.476 -9.780 -17.366 34 1HG MET 8 1HG MET 8 -23.770 -9.412 -17.511 35 2HG MET 8 2HG MET 8 -23.461 -9.614 -15.788 36 1HE MET 8 1HE MET 8 -24.329 -6.642 -14.070 37 2HE MET 8 2HE MET 8 -25.583 -7.793 -14.532 38 3HE MET 8 3HE MET 8 -23.956 -8.364 -14.158 39 H ASN 9 H ASN 9 -18.911 -8.120 -14.265 40 HA ASN 9 HA ASN 9 -17.291 -10.274 -15.310 41 1HB ASN 9 1HB ASN 9 -17.061 -8.420 -16.991 42 2HB ASN 9 2HB ASN 9 -16.364 -7.424 -15.716 43 1HD2 ASN 9 1HD2 ASN 9 -14.249 -7.360 -15.738 44 2HD2 ASN 9 2HD2 ASN 9 -13.190 -8.619 -16.267 45 H ARG 10 H ARG 10 -15.117 -10.315 -14.259 46 HA ARG 10 HA ARG 10 -15.406 -9.538 -11.463 47 1HB ARG 10 1HB ARG 10 -13.222 -10.962 -11.321 48 2HB ARG 10 2HB ARG 10 -14.772 -11.761 -11.544 49 1HG ARG 10 1HG ARG 10 -13.188 -11.014 -13.949 50 2HG ARG 10 2HG ARG 10 -12.691 -12.412 -12.993 51 1HD ARG 10 1HD ARG 10 -14.587 -13.602 -13.497 52 2HD ARG 10 2HD ARG 10 -15.555 -12.153 -13.760 53 HE ARG 10 HE ARG 10 -13.841 -12.033 -15.807 54 1HH1 ARG 10 2HH1 ARG 10 -15.769 -14.654 -14.569 55 2HH1 ARG 10 1HH1 ARG 10 -15.946 -15.425 -16.111 56 1HH2 ARG 10 2HH2 ARG 10 -14.068 -13.038 -17.842 57 2HH2 ARG 10 1HH2 ARG 10 -14.978 -14.505 -17.972 58 H THR 11 H THR 11 -14.867 -7.408 -11.306 59 HA THR 11 HA THR 11 -12.783 -6.132 -12.694 60 HB THR 11 HB THR 11 -12.991 -4.331 -11.014 61 HG1 THR 11 1HG THR 11 -14.877 -6.060 -9.756 62 1HG2 THR 11 1HG2 THR 11 -14.658 -4.755 -12.939 63 2HG2 THR 11 2HG2 THR 11 -15.123 -3.630 -11.662 64 3HG2 THR 11 3HG2 THR 11 -15.764 -5.273 -11.667 65 H ALA 12 H ALA 12 -10.959 -7.506 -12.519 66 HA ALA 12 HA ALA 12 -9.644 -7.443 -9.881 67 1HB ALA 12 1HB ALA 12 -10.246 -9.657 -11.444 68 2HB ALA 12 2HB ALA 12 -8.523 -9.386 -11.706 69 3HB ALA 12 3HB ALA 12 -9.143 -9.602 -10.069 70 H MET 13 H MET 13 -7.810 -6.326 -9.729 71 HA MET 13 HA MET 13 -6.308 -5.744 -12.193 72 1HB MET 13 1HB MET 13 -6.945 -3.833 -9.940 73 2HB MET 13 2HB MET 13 -5.799 -3.495 -11.230 74 1HG MET 13 1HG MET 13 -7.680 -3.835 -12.854 75 2HG MET 13 2HG MET 13 -8.766 -3.892 -11.467 76 1HE MET 13 1HE MET 13 -9.587 -1.544 -13.530 77 2HE MET 13 2HE MET 13 -10.245 -2.172 -12.019 78 3HE MET 13 3HE MET 13 -9.915 -0.447 -12.188 79 H ARG 14 H ARG 14 -4.079 -5.678 -12.017 80 HA ARG 14 HA ARG 14 -2.997 -6.642 -9.451 81 1HB ARG 14 1HB ARG 14 -2.272 -7.274 -12.295 82 2HB ARG 14 2HB ARG 14 -1.088 -7.474 -11.011 83 1HG ARG 14 1HG ARG 14 -2.490 -9.068 -9.890 84 2HG ARG 14 2HG ARG 14 -3.797 -8.783 -11.040 85 1HD ARG 14 1HD ARG 14 -2.562 -10.853 -11.524 86 2HD ARG 14 2HD ARG 14 -2.454 -9.685 -12.840 87 HE ARG 14 HE ARG 14 -0.237 -9.238 -11.281 88 1HH1 ARG 14 2HH1 ARG 14 -1.574 -11.932 -13.035 89 2HH1 ARG 14 1HH1 ARG 14 -0.032 -12.649 -13.366 90 1HH2 ARG 14 2HH2 ARG 14 1.799 -10.173 -11.711 91 2HH2 ARG 14 1HH2 ARG 14 1.886 -11.648 -12.612 92 H ALA 15 H ALA 15 -1.537 -5.416 -8.449 93 HA ALA 15 HA ALA 15 -0.406 -3.131 -9.921 94 1HB ALA 15 1HB ALA 15 -0.008 -2.259 -7.527 95 2HB ALA 15 2HB ALA 15 -1.649 -2.236 -8.174 96 3HB ALA 15 3HB ALA 15 -1.164 -3.503 -7.048 97 H SER 16 H SER 16 1.743 -2.917 -10.128 98 HA SER 16 HA SER 16 3.475 -4.705 -8.556 99 1HB SER 16 1HB SER 16 3.237 -5.599 -10.835 100 2HB SER 16 2HB SER 16 3.770 -4.055 -11.499 101 HG SER 16 HG SER 16 5.786 -4.403 -10.712 102 H GLN 17 H GLN 17 3.778 -2.024 -10.893 103 HA GLN 17 HA GLN 17 5.405 -0.587 -8.913 104 1HB GLN 17 1HB GLN 17 6.846 -1.711 -10.628 105 2HB GLN 17 2HB GLN 17 6.059 -0.732 -11.859 106 1HG GLN 17 1HG GLN 17 8.218 0.190 -11.205 107 2HG GLN 17 2HG GLN 17 6.895 1.291 -10.827 108 1HE2 GLN 17 1HE2 GLN 17 6.542 1.884 -8.756 109 2HE2 GLN 17 2HE2 GLN 17 7.512 1.374 -7.421 110 H LYS 18 H LYS 18 3.797 -0.272 -12.077 111 HA LYS 18 HA LYS 18 3.487 2.536 -11.925 112 1HB LYS 18 1HB LYS 18 3.349 1.004 -13.987 113 2HB LYS 18 2HB LYS 18 1.685 0.709 -13.500 114 1HG LYS 18 1HG LYS 18 1.351 2.429 -14.941 115 2HG LYS 18 2HG LYS 18 1.608 3.351 -13.458 116 1HD LYS 18 1HD LYS 18 4.119 3.261 -14.199 117 2HD LYS 18 2HD LYS 18 3.427 2.958 -15.794 118 1HE LYS 18 1HE LYS 18 2.286 5.022 -15.798 119 2HE LYS 18 2HE LYS 18 2.548 5.259 -14.071 120 1HZ LYS 18 1HZ LYS 18 4.117 6.185 -16.157 121 2HZ LYS 18 2HZ LYS 18 5.027 4.980 -15.394 122 3HZ LYS 18 3HZ LYS 18 4.443 6.292 -14.500 123 H ASP 19 H ASP 19 0.936 0.045 -11.764 124 HA ASP 19 HA ASP 19 -1.195 1.474 -10.975 125 1HB ASP 19 1HB ASP 19 -0.792 -1.134 -11.132 126 2HB ASP 19 2HB ASP 19 -0.649 -0.994 -9.382 127 H PHE 20 H PHE 20 1.395 0.396 -8.803 128 HA PHE 20 HA PHE 20 0.287 1.449 -6.436 129 1HB PHE 20 1HB PHE 20 2.131 -0.235 -6.539 130 2HB PHE 20 2HB PHE 20 3.218 1.047 -7.062 131 HD1 PHE 20 1HD PHE 20 4.120 2.609 -5.519 132 HD2 PHE 20 2HD PHE 20 1.178 -0.201 -4.265 133 HE1 PHE 20 1HE PHE 20 4.587 3.173 -3.170 134 HE2 PHE 20 2HE PHE 20 1.641 0.359 -1.915 135 HZ PHE 20 HZ PHE 20 3.346 2.048 -1.364 136 H GLU 21 H GLU 21 2.980 2.725 -8.403 137 HA GLU 21 HA GLU 21 3.355 5.127 -7.136 138 1HB GLU 21 1HB GLU 21 3.617 4.351 -10.029 139 2HB GLU 21 2HB GLU 21 3.994 5.981 -9.489 140 1HG GLU 21 1HG GLU 21 5.675 5.106 -7.966 141 2HG GLU 21 2HG GLU 21 5.284 3.461 -8.466 142 H ASN 22 H ASN 22 0.876 4.281 -9.485 143 HA ASN 22 HA ASN 22 -0.122 6.915 -9.849 144 1HB ASN 22 1HB ASN 22 -1.302 4.185 -10.359 145 2HB ASN 22 2HB ASN 22 -2.175 5.672 -10.715 146 1HD2 ASN 22 1HD2 ASN 22 -1.352 3.642 -12.560 147 2HD2 ASN 22 2HD2 ASN 22 -0.287 4.392 -13.695 148 H SER 23 H SER 23 -1.158 4.192 -7.816 149 HA SER 23 HA SER 23 -3.398 5.431 -6.676 150 1HB SER 23 1HB SER 23 -1.586 3.228 -5.692 151 2HB SER 23 2HB SER 23 -2.999 3.761 -4.782 152 HG SER 23 HG SER 23 -3.362 3.170 -7.480 153 H MET 24 H MET 24 -0.164 4.991 -5.229 154 HA MET 24 HA MET 24 -0.487 6.460 -2.940 155 1HB MET 24 1HB MET 24 1.959 6.903 -3.046 156 2HB MET 24 2HB MET 24 1.540 5.221 -3.341 157 1HG MET 24 1HG MET 24 2.199 5.288 -5.511 158 2HG MET 24 2HG MET 24 1.801 6.994 -5.697 159 1HE MET 24 1HE MET 24 4.778 7.326 -6.973 160 2HE MET 24 2HE MET 24 3.285 8.163 -6.548 161 3HE MET 24 3HE MET 24 4.817 8.676 -5.838 162 H ASN 25 H ASN 25 0.095 7.641 -6.201 163 HA ASN 25 HA ASN 25 0.635 10.327 -5.539 164 1HB ASN 25 1HB ASN 25 1.070 9.242 -7.764 165 2HB ASN 25 2HB ASN 25 -0.661 9.320 -8.079 166 1HD2 ASN 25 1HD2 ASN 25 -0.096 10.599 -9.921 167 2HD2 ASN 25 2HD2 ASN 25 0.230 12.286 -9.736 168 H GLN 26 H GLN 26 -2.383 8.696 -6.470 169 HA GLN 26 HA GLN 26 -4.082 10.879 -6.482 170 1HB GLN 26 1HB GLN 26 -4.591 8.011 -5.697 171 2HB GLN 26 2HB GLN 26 -5.874 9.205 -5.841 172 1HG GLN 26 1HG GLN 26 -5.196 9.567 -8.200 173 2HG GLN 26 2HG GLN 26 -4.042 8.246 -8.025 174 1HE2 GLN 26 1HE2 GLN 26 -7.475 8.944 -7.461 175 2HE2 GLN 26 2HE2 GLN 26 -8.054 7.418 -8.027 176 H VAL 27 H VAL 27 -3.097 8.850 -3.749 177 HA VAL 27 HA VAL 27 -4.735 10.075 -1.811 178 HB VAL 27 HB VAL 27 -2.066 8.731 -1.369 179 1HG1 VAL 27 1HG1 VAL 27 -2.755 8.401 0.883 180 2HG1 VAL 27 2HG1 VAL 27 -3.007 10.108 0.512 181 3HG1 VAL 27 3HG1 VAL 27 -4.379 8.999 0.541 182 1HG2 VAL 27 1HG2 VAL 27 -4.451 7.177 -0.785 183 2HG2 VAL 27 2HG2 VAL 27 -4.331 7.614 -2.489 184 3HG2 VAL 27 3HG2 VAL 27 -3.014 6.738 -1.709 185 H LYS 28 H LYS 28 -1.591 10.893 -3.111 186 HA LYS 28 HA LYS 28 -1.050 12.896 -1.107 187 1HB LYS 28 1HB LYS 28 0.317 12.150 -3.692 188 2HB LYS 28 2HB LYS 28 0.864 13.472 -2.668 189 1HG LYS 28 1HG LYS 28 0.844 11.607 -0.815 190 2HG LYS 28 2HG LYS 28 0.989 10.538 -2.212 191 1HD LYS 28 1HD LYS 28 2.802 12.903 -1.796 192 2HD LYS 28 2HD LYS 28 3.157 11.310 -1.123 193 1HE LYS 28 1HE LYS 28 2.809 10.463 -3.534 194 2HE LYS 28 2HE LYS 28 2.995 12.154 -3.996 195 1HZ LYS 28 1HZ LYS 28 5.176 12.198 -3.274 196 2HZ LYS 28 2HZ LYS 28 5.057 10.654 -3.953 197 3HZ LYS 28 3HZ LYS 28 4.998 10.845 -2.274 198 H LEU 29 H LEU 29 -2.849 12.734 -3.981 199 HA LEU 29 HA LEU 29 -2.553 15.450 -4.818 200 1HB LEU 29 1HB LEU 29 -4.258 13.144 -5.548 201 2HB LEU 29 2HB LEU 29 -4.887 14.747 -5.923 202 HG LEU 29 HG LEU 29 -3.035 15.212 -7.363 203 1HD1 LEU 29 1HD1 LEU 29 -1.567 13.602 -5.755 204 2HD1 LEU 29 2HD1 LEU 29 -1.052 14.160 -7.346 205 3HD1 LEU 29 3HD1 LEU 29 -1.782 12.564 -7.165 206 1HD2 LEU 29 1HD2 LEU 29 -3.705 12.383 -8.060 207 2HD2 LEU 29 2HD2 LEU 29 -3.549 13.789 -9.112 208 3HD2 LEU 29 3HD2 LEU 29 -4.961 13.621 -8.068 209 H LEU 30 H LEU 30 -5.169 13.684 -3.161 210 HA LEU 30 HA LEU 30 -6.876 15.832 -2.731 211 1HB LEU 30 1HB LEU 30 -7.862 14.517 -0.953 212 2HB LEU 30 2HB LEU 30 -7.499 13.503 -2.348 213 HG LEU 30 HG LEU 30 -5.300 13.003 -0.968 214 1HD1 LEU 30 1HD1 LEU 30 -6.210 14.683 0.799 215 2HD1 LEU 30 2HD1 LEU 30 -5.445 13.183 1.323 216 3HD1 LEU 30 3HD1 LEU 30 -7.203 13.318 1.310 217 1HD2 LEU 30 1HD2 LEU 30 -6.653 11.212 -1.591 218 2HD2 LEU 30 2HD2 LEU 30 -8.037 11.814 -0.678 219 3HD2 LEU 30 3HD2 LEU 30 -6.648 11.133 0.171 220 H LYS 31 H LYS 31 -7.019 17.438 -1.252 221 HA LYS 31 HA LYS 31 -4.787 17.683 0.655 222 1HB LYS 31 1HB LYS 31 -6.378 19.780 -0.817 223 2HB LYS 31 2HB LYS 31 -5.346 20.165 0.555 224 1HG LYS 31 1HG LYS 31 -3.550 18.867 -0.872 225 2HG LYS 31 2HG LYS 31 -4.615 19.333 -2.200 226 1HD LYS 31 1HD LYS 31 -4.481 21.691 -1.360 227 2HD LYS 31 2HD LYS 31 -3.244 21.150 -0.224 228 1HE LYS 31 1HE LYS 31 -2.090 22.035 -2.089 229 2HE LYS 31 2HE LYS 31 -1.966 20.281 -2.219 230 1HZ LYS 31 1HZ LYS 31 -2.634 21.739 -4.266 231 2HZ LYS 31 2HZ LYS 31 -4.179 21.631 -3.587 232 3HZ LYS 31 3HZ LYS 31 -3.345 20.224 -4.017 233 H LYS 32 H LYS 32 -7.544 16.417 0.897 234 HA LYS 32 HA LYS 32 -8.464 17.976 3.224 235 1HB LYS 32 1HB LYS 32 -10.680 16.933 2.862 236 2HB LYS 32 2HB LYS 32 -10.164 17.920 1.501 237 1HG LYS 32 1HG LYS 32 -9.279 15.653 0.561 238 2HG LYS 32 2HG LYS 32 -10.435 14.960 1.700 239 1HD LYS 32 1HD LYS 32 -12.221 16.310 0.683 240 2HD LYS 32 2HD LYS 32 -11.057 16.961 -0.473 241 1HE LYS 32 1HE LYS 32 -10.669 14.738 -1.369 242 2HE LYS 32 2HE LYS 32 -11.759 14.042 -0.170 243 1HZ LYS 32 1HZ LYS 32 -13.076 16.103 -1.576 244 2HZ LYS 32 2HZ LYS 32 -13.471 14.461 -1.486 245 3HZ LYS 32 3HZ LYS 32 -12.411 15.011 -2.684 246 H ASP 33 H ASP 33 -7.159 16.969 4.743 247 HA ASP 33 HA ASP 33 -6.418 14.419 5.112 248 1HB ASP 33 1HB ASP 33 -7.613 16.038 7.366 249 2HB ASP 33 2HB ASP 33 -6.371 14.794 7.485 250 HA PRO 34 HA PRO 34 -10.368 12.281 4.988 251 1HB PRO 34 1HB PRO 34 -9.279 9.800 4.821 252 2HB PRO 34 2HB PRO 34 -9.419 10.883 3.431 253 1HG PRO 34 1HG PRO 34 -7.048 10.335 5.175 254 2HG PRO 34 2HG PRO 34 -7.127 10.491 3.410 255 1HD PRO 34 1HD PRO 34 -6.275 12.500 5.013 256 2HD PRO 34 2HD PRO 34 -7.134 12.794 3.487 257 H GLY 35 H GLY 35 -7.602 11.345 7.015 258 1HA GLY 35 1HA GLY 35 -8.440 11.517 9.483 259 2HA GLY 35 2HA GLY 35 -9.444 10.168 8.971 260 H ASN 36 H ASN 36 -7.249 10.399 10.990 261 HA ASN 36 HA ASN 36 -4.917 9.134 10.164 262 1HB ASN 36 1HB ASN 36 -6.366 9.192 12.802 263 2HB ASN 36 2HB ASN 36 -4.862 8.297 12.605 264 1HD2 ASN 36 1HD2 ASN 36 -3.012 9.354 12.825 265 2HD2 ASN 36 2HD2 ASN 36 -2.842 11.071 12.906 266 H GLU 37 H GLU 37 -8.066 7.901 10.297 267 HA GLU 37 HA GLU 37 -7.571 5.194 10.912 268 1HB GLU 37 1HB GLU 37 -9.755 4.748 10.071 269 2HB GLU 37 2HB GLU 37 -9.820 6.323 10.851 270 1HG GLU 37 1HG GLU 37 -9.523 7.346 8.578 271 2HG GLU 37 2HG GLU 37 -9.747 5.732 7.906 272 H VAL 38 H VAL 38 -7.832 6.875 7.788 273 HA VAL 38 HA VAL 38 -7.049 4.509 6.327 274 HB VAL 38 HB VAL 38 -8.621 5.963 5.248 275 1HG1 VAL 38 1HG1 VAL 38 -8.202 8.053 6.300 276 2HG1 VAL 38 2HG1 VAL 38 -6.555 8.113 5.669 277 3HG1 VAL 38 3HG1 VAL 38 -7.927 8.283 4.574 278 1HG2 VAL 38 1HG2 VAL 38 -7.604 6.212 3.125 279 2HG2 VAL 38 2HG2 VAL 38 -6.001 6.411 3.834 280 3HG2 VAL 38 3HG2 VAL 38 -6.804 4.841 3.894 281 H LYS 39 H LYS 39 -5.600 7.602 7.235 282 HA LYS 39 HA LYS 39 -3.270 7.551 5.772 283 1HB LYS 39 1HB LYS 39 -3.691 8.485 8.616 284 2HB LYS 39 2HB LYS 39 -2.254 8.837 7.665 285 1HG LYS 39 1HG LYS 39 -3.352 10.311 6.294 286 2HG LYS 39 2HG LYS 39 -4.926 9.558 6.564 287 1HD LYS 39 1HD LYS 39 -5.288 10.695 8.515 288 2HD LYS 39 2HD LYS 39 -3.567 10.819 8.888 289 1HE LYS 39 1HE LYS 39 -5.013 12.372 6.744 290 2HE LYS 39 2HE LYS 39 -4.560 12.997 8.329 291 1HZ LYS 39 1HZ LYS 39 -2.345 11.831 6.950 292 2HZ LYS 39 2HZ LYS 39 -2.493 13.367 7.643 293 3HZ LYS 39 3HZ LYS 39 -3.041 13.096 6.066 294 H LEU 40 H LEU 40 -4.235 5.435 8.289 295 HA LEU 40 HA LEU 40 -1.520 4.506 8.801 296 1HB LEU 40 1HB LEU 40 -4.191 3.738 9.958 297 2HB LEU 40 2HB LEU 40 -2.679 2.939 10.385 298 HG LEU 40 HG LEU 40 -3.129 5.888 10.786 299 1HD1 LEU 40 1HD1 LEU 40 -4.226 3.645 12.266 300 2HD1 LEU 40 2HD1 LEU 40 -4.594 5.366 12.378 301 3HD1 LEU 40 3HD1 LEU 40 -3.227 4.697 13.270 302 1HD2 LEU 40 1HD2 LEU 40 -0.852 5.493 10.904 303 2HD2 LEU 40 2HD2 LEU 40 -1.061 3.890 11.610 304 3HD2 LEU 40 3HD2 LEU 40 -1.349 5.330 12.588 305 H LYS 41 H LYS 41 -4.519 3.420 7.305 306 HA LYS 41 HA LYS 41 -3.663 0.769 6.767 307 1HB LYS 41 1HB LYS 41 -5.681 0.493 5.706 308 2HB LYS 41 2HB LYS 41 -6.055 1.888 6.709 309 1HG LYS 41 1HG LYS 41 -5.712 3.375 4.839 310 2HG LYS 41 2HG LYS 41 -5.205 2.024 3.823 311 1HD LYS 41 1HD LYS 41 -7.639 2.894 3.644 312 2HD LYS 41 2HD LYS 41 -7.350 1.152 3.688 313 1HE LYS 41 1HE LYS 41 -7.874 2.692 6.205 314 2HE LYS 41 2HE LYS 41 -9.206 2.155 5.183 315 1HZ LYS 41 1HZ LYS 41 -7.690 -0.070 5.425 316 2HZ LYS 41 2HZ LYS 41 -9.065 0.274 6.347 317 3HZ LYS 41 3HZ LYS 41 -7.528 0.634 6.954 318 H LEU 42 H LEU 42 -3.177 3.815 5.178 319 HA LEU 42 HA LEU 42 -2.321 2.646 2.681 320 1HB LEU 42 1HB LEU 42 -2.611 5.382 3.786 321 2HB LEU 42 2HB LEU 42 -1.453 5.156 2.477 322 HG LEU 42 HG LEU 42 -3.528 5.904 1.547 323 1HD1 LEU 42 1HD1 LEU 42 -2.180 3.985 0.481 324 2HD1 LEU 42 2HD1 LEU 42 -3.803 4.316 -0.122 325 3HD1 LEU 42 3HD1 LEU 42 -3.530 2.965 0.978 326 1HD2 LEU 42 1HD2 LEU 42 -5.600 5.156 2.101 327 2HD2 LEU 42 2HD2 LEU 42 -4.776 4.791 3.618 328 3HD2 LEU 42 3HD2 LEU 42 -5.043 3.515 2.429 329 H TYR 43 H TYR 43 -0.856 3.793 5.634 330 HA TYR 43 HA TYR 43 1.824 3.792 4.584 331 1HB TYR 43 1HB TYR 43 1.792 5.259 6.326 332 2HB TYR 43 2HB TYR 43 0.532 4.378 7.184 333 HD1 TYR 43 1HD TYR 43 4.146 4.655 6.601 334 HD2 TYR 43 2HD TYR 43 1.088 2.631 8.759 335 HE1 TYR 43 1HE TYR 43 5.841 3.730 8.123 336 HE2 TYR 43 2HE TYR 43 2.776 1.701 10.288 337 HH TYR 43 HH TYR 43 4.920 1.702 10.885 338 H ALA 44 H ALA 44 -0.200 1.613 6.464 339 HA ALA 44 HA ALA 44 1.660 -0.219 7.361 340 1HB ALA 44 1HB ALA 44 -0.283 -1.903 6.993 341 2HB ALA 44 2HB ALA 44 -0.481 -0.585 8.148 342 3HB ALA 44 3HB ALA 44 -1.203 -0.467 6.543 343 H LEU 45 H LEU 45 -0.033 -0.207 4.230 344 HA LEU 45 HA LEU 45 1.276 -2.511 3.226 345 1HB LEU 45 1HB LEU 45 -0.278 -0.280 1.965 346 2HB LEU 45 2HB LEU 45 0.506 -1.513 0.979 347 HG LEU 45 HG LEU 45 -1.723 -2.207 1.172 348 1HD1 LEU 45 1HD1 LEU 45 -1.598 -4.288 2.318 349 2HD1 LEU 45 2HD1 LEU 45 -0.328 -3.693 3.387 350 3HD1 LEU 45 3HD1 LEU 45 0.008 -3.944 1.674 351 1HD2 LEU 45 1HD2 LEU 45 -2.815 -2.431 3.440 352 2HD2 LEU 45 2HD2 LEU 45 -2.570 -0.784 2.859 353 3HD2 LEU 45 3HD2 LEU 45 -1.488 -1.460 4.077 354 H TYR 46 H TYR 46 1.815 0.965 2.717 355 HA TYR 46 HA TYR 46 3.799 0.986 0.868 356 1HB TYR 46 1HB TYR 46 3.000 3.056 1.764 357 2HB TYR 46 2HB TYR 46 3.560 2.644 3.381 358 HD1 TYR 46 1HD TYR 46 4.876 3.182 -0.072 359 HD2 TYR 46 2HD TYR 46 5.586 3.494 4.111 360 HE1 TYR 46 1HE TYR 46 7.004 4.329 -0.525 361 HE2 TYR 46 2HE TYR 46 7.715 4.643 3.670 362 HH TYR 46 HH TYR 46 8.840 5.218 0.349 363 H LYS 47 H LYS 47 4.454 0.841 4.374 364 HA LYS 47 HA LYS 47 7.191 0.221 4.076 365 1HB LYS 47 1HB LYS 47 5.320 -0.228 6.408 366 2HB LYS 47 2HB LYS 47 7.067 -0.417 6.486 367 1HG LYS 47 1HG LYS 47 5.776 2.159 5.647 368 2HG LYS 47 2HG LYS 47 6.098 1.766 7.338 369 1HD LYS 47 1HD LYS 47 8.306 1.493 5.355 370 2HD LYS 47 2HD LYS 47 7.844 3.110 5.894 371 1HE LYS 47 1HE LYS 47 8.404 2.654 8.116 372 2HE LYS 47 2HE LYS 47 8.374 0.909 7.861 373 1HZ LYS 47 1HZ LYS 47 10.317 2.412 6.300 374 2HZ LYS 47 2HZ LYS 47 10.463 0.902 7.048 375 3HZ LYS 47 3HZ LYS 47 10.612 2.316 7.964 376 H GLN 48 H GLN 48 4.418 -1.665 3.635 377 HA GLN 48 HA GLN 48 5.732 -4.187 4.255 378 1HB GLN 48 1HB GLN 48 3.272 -3.681 4.728 379 2HB GLN 48 2HB GLN 48 3.017 -3.838 2.996 380 1HG GLN 48 1HG GLN 48 2.520 -5.953 3.661 381 2HG GLN 48 2HG GLN 48 4.246 -6.131 3.354 382 1HE2 GLN 48 1HE2 GLN 48 4.076 -7.966 4.789 383 2HE2 GLN 48 2HE2 GLN 48 4.146 -7.720 6.497 384 H ALA 49 H ALA 49 4.997 -2.178 1.532 385 HA ALA 49 HA ALA 49 5.756 -4.306 -0.339 386 1HB ALA 49 1HB ALA 49 3.981 -3.438 -1.399 387 2HB ALA 49 2HB ALA 49 4.072 -1.914 -0.515 388 3HB ALA 49 3HB ALA 49 5.111 -2.186 -1.914 389 H THR 50 H THR 50 7.350 -2.209 1.474 390 HA THR 50 HA THR 50 9.375 -1.686 -0.600 391 HB THR 50 HB THR 50 10.001 0.384 0.630 392 HG1 THR 50 1HG THR 50 7.710 -0.337 2.139 393 1HG2 THR 50 1HG2 THR 50 7.327 1.199 0.117 394 2HG2 THR 50 2HG2 THR 50 7.752 -0.047 -1.057 395 3HG2 THR 50 3HG2 THR 50 8.749 1.400 -0.905 396 H GLU 51 H GLU 51 8.713 -2.265 2.820 397 HA GLU 51 HA GLU 51 11.529 -3.042 3.185 398 1HB GLU 51 1HB GLU 51 9.531 -2.432 5.363 399 2HB GLU 51 2HB GLU 51 11.273 -2.610 5.527 400 1HG GLU 51 1HG GLU 51 10.089 -0.462 3.812 401 2HG GLU 51 2HG GLU 51 10.273 -0.252 5.553 402 H GLY 52 H GLY 52 8.185 -4.024 3.779 403 1HA GLY 52 1HA GLY 52 7.690 -6.397 3.340 404 2HA GLY 52 2HA GLY 52 9.177 -6.777 4.196 405 HA PRO 53 HA PRO 53 6.012 -7.467 7.362 406 1HB PRO 53 1HB PRO 53 7.561 -9.131 8.845 407 2HB PRO 53 2HB PRO 53 6.663 -9.669 7.420 408 1HG PRO 53 1HG PRO 53 9.556 -8.943 7.673 409 2HG PRO 53 2HG PRO 53 8.815 -10.300 6.805 410 1HD PRO 53 1HD PRO 53 9.643 -8.047 5.552 411 2HD PRO 53 2HD PRO 53 8.251 -8.996 4.991 412 H CYS 54 H CYS 54 5.725 -6.458 9.288 413 HA CYS 54 HA CYS 54 7.276 -4.335 10.083 414 1HB CYS 54 1HB CYS 54 5.052 -4.506 10.918 415 2HB CYS 54 2HB CYS 54 5.379 -6.064 11.668 416 HG CYS 54 HG CYS 54 7.025 -5.033 13.663 417 H ASN 55 H ASN 55 9.395 -4.461 10.495 418 HA ASN 55 HA ASN 55 10.312 -6.515 12.398 419 1HB ASN 55 1HB ASN 55 12.306 -6.744 11.247 420 2HB ASN 55 2HB ASN 55 11.192 -6.424 9.921 421 1HD2 ASN 55 1HD2 ASN 55 11.085 -4.249 9.098 422 2HD2 ASN 55 2HD2 ASN 55 12.482 -3.236 9.180 423 H MET 56 H MET 56 9.326 -3.561 12.571 424 HA MET 56 HA MET 56 11.637 -2.301 13.807 425 1HB MET 56 1HB MET 56 9.953 -0.422 14.200 426 2HB MET 56 2HB MET 56 10.363 -0.788 12.530 427 1HG MET 56 1HG MET 56 8.309 -1.990 12.231 428 2HG MET 56 2HG MET 56 7.917 -1.823 13.941 429 1HE MET 56 1HE MET 56 7.311 1.866 14.438 430 2HE MET 56 2HE MET 56 8.382 0.563 14.951 431 3HE MET 56 3HE MET 56 8.964 1.792 13.827 432 HA PRO 57 HA PRO 57 10.699 -3.378 17.959 433 1HB PRO 57 1HB PRO 57 11.552 -1.162 19.276 434 2HB PRO 57 2HB PRO 57 12.659 -2.330 18.544 435 1HG PRO 57 1HG PRO 57 11.718 0.307 17.486 436 2HG PRO 57 2HG PRO 57 13.349 -0.389 17.467 437 1HD PRO 57 1HD PRO 57 11.723 -0.429 15.302 438 2HD PRO 57 2HD PRO 57 12.897 -1.717 15.639 439 H LYS 58 H LYS 58 8.908 -3.369 19.170 440 HA LYS 58 HA LYS 58 6.709 -1.721 18.597 441 1HB LYS 58 1HB LYS 58 6.647 -4.010 19.652 442 2HB LYS 58 2HB LYS 58 7.157 -3.259 21.158 443 1HG LYS 58 1HG LYS 58 5.148 -2.053 21.359 444 2HG LYS 58 2HG LYS 58 4.690 -2.386 19.687 445 1HD LYS 58 1HD LYS 58 4.423 -4.750 20.217 446 2HD LYS 58 2HD LYS 58 4.927 -4.446 21.882 447 1HE LYS 58 1HE LYS 58 2.971 -2.779 21.947 448 2HE LYS 58 2HE LYS 58 2.410 -3.593 20.487 449 1HZ LYS 58 1HZ LYS 58 1.638 -4.376 22.840 450 2HZ LYS 58 2HZ LYS 58 3.101 -5.223 22.823 451 3HZ LYS 58 3HZ LYS 58 1.949 -5.504 21.618 452 HA PRO 59 HA PRO 59 8.059 1.891 20.857 453 1HB PRO 59 1HB PRO 59 5.905 3.414 20.214 454 2HB PRO 59 2HB PRO 59 7.241 3.117 19.095 455 1HG PRO 59 1HG PRO 59 4.562 1.788 19.242 456 2HG PRO 59 2HG PRO 59 5.460 2.341 17.816 457 1HD PRO 59 1HD PRO 59 5.404 -0.254 18.587 458 2HD PRO 59 2HD PRO 59 6.813 0.474 17.789 459 H GLY 60 H GLY 60 7.034 3.344 22.509 460 1HA GLY 60 1HA GLY 60 5.542 1.703 24.392 461 2HA GLY 60 2HA GLY 60 6.288 3.259 24.725 462 H VAL 61 H VAL 61 3.615 2.333 25.415 463 HA VAL 61 HA VAL 61 1.537 3.164 23.866 464 HB VAL 61 HB VAL 61 0.393 3.870 26.019 465 1HG1 VAL 61 1HG1 VAL 61 1.638 1.180 25.593 466 2HG1 VAL 61 2HG1 VAL 61 0.597 1.484 26.985 467 3HG1 VAL 61 3HG1 VAL 61 -0.033 1.687 25.350 468 1HG2 VAL 61 1HG2 VAL 61 3.133 3.240 27.054 469 2HG2 VAL 61 2HG2 VAL 61 2.094 4.617 27.420 470 3HG2 VAL 61 3HG2 VAL 61 1.709 3.025 28.073 471 H PHE 62 H PHE 62 3.357 5.253 26.111 472 HA PHE 62 HA PHE 62 2.126 7.641 25.788 473 1HB PHE 62 1HB PHE 62 5.124 7.530 25.620 474 2HB PHE 62 2HB PHE 62 4.109 8.694 26.465 475 HD1 PHE 62 1HD PHE 62 6.495 6.594 27.223 476 HD2 PHE 62 2HD PHE 62 2.330 6.978 28.011 477 HE1 PHE 62 1HE PHE 62 6.775 5.316 29.307 478 HE2 PHE 62 2HE PHE 62 2.603 5.701 30.096 479 HZ PHE 62 HZ PHE 62 4.828 4.868 30.747 480 H ASP 63 H ASP 63 4.078 5.982 23.424 481 HA ASP 63 HA ASP 63 4.054 8.269 21.618 482 1HB ASP 63 1HB ASP 63 5.463 5.645 21.702 483 2HB ASP 63 2HB ASP 63 5.200 6.384 20.125 484 H LEU 64 H LEU 64 1.648 8.166 21.570 485 HA LEU 64 HA LEU 64 0.254 6.021 20.406 486 1HB LEU 64 1HB LEU 64 -0.476 8.942 20.290 487 2HB LEU 64 2HB LEU 64 -1.568 7.571 20.103 488 HG LEU 64 HG LEU 64 -0.110 8.303 22.642 489 1HD1 LEU 64 1HD1 LEU 64 -1.701 9.959 22.471 490 2HD1 LEU 64 2HD1 LEU 64 -2.589 8.703 23.331 491 3HD1 LEU 64 3HD1 LEU 64 -2.837 8.929 21.600 492 1HD2 LEU 64 1HD2 LEU 64 -2.410 6.562 22.865 493 2HD2 LEU 64 2HD2 LEU 64 -0.776 6.360 23.498 494 3HD2 LEU 64 3HD2 LEU 64 -1.153 5.857 21.849 495 H ILE 65 H ILE 65 1.868 8.819 19.008 496 HA ILE 65 HA ILE 65 0.896 8.648 16.398 497 HB ILE 65 HB ILE 65 3.560 9.605 17.432 498 1HG1 ILE 65 1HG1 ILE 65 2.332 11.798 16.526 499 2HG1 ILE 65 2HG1 ILE 65 0.903 10.829 16.871 500 1HG2 ILE 65 1HG2 ILE 65 3.373 10.819 15.051 501 2HG2 ILE 65 2HG2 ILE 65 4.225 9.294 15.292 502 3HG2 ILE 65 3HG2 ILE 65 2.578 9.293 14.664 503 1HD1 ILE 65 1HD1 ILE 65 2.195 12.424 18.655 504 2HD1 ILE 65 2HD1 ILE 65 1.128 11.083 19.074 505 3HD1 ILE 65 3HD1 ILE 65 2.874 10.838 19.024 506 H ASN 66 H ASN 66 3.955 7.329 17.680 507 HA ASN 66 HA ASN 66 4.566 5.866 15.333 508 1HB ASN 66 1HB ASN 66 5.564 5.481 18.165 509 2HB ASN 66 2HB ASN 66 6.279 4.758 16.727 510 1HD2 ASN 66 1HD2 ASN 66 5.612 7.784 18.368 511 2HD2 ASN 66 2HD2 ASN 66 6.866 8.693 17.602 512 H LYS 67 H LYS 67 3.183 4.904 18.461 513 HA LYS 67 HA LYS 67 2.944 2.176 17.997 514 1HB LYS 67 1HB LYS 67 2.512 3.442 20.157 515 2HB LYS 67 2HB LYS 67 0.920 3.822 19.513 516 1HG LYS 67 1HG LYS 67 0.650 1.954 20.926 517 2HG LYS 67 2HG LYS 67 0.545 1.347 19.272 518 1HD LYS 67 1HD LYS 67 2.679 0.385 19.370 519 2HD LYS 67 2HD LYS 67 3.139 1.335 20.784 520 1HE LYS 67 1HE LYS 67 2.742 -0.822 21.613 521 2HE LYS 67 2HE LYS 67 1.287 0.089 22.015 522 1HZ LYS 67 1HZ LYS 67 0.096 -0.941 20.296 523 2HZ LYS 67 2HZ LYS 67 0.953 -2.196 21.037 524 3HZ LYS 67 3HZ LYS 67 1.491 -1.559 19.565 525 H ALA 68 H ALA 68 0.742 4.810 17.143 526 HA ALA 68 HA ALA 68 -1.448 3.383 16.262 527 1HB ALA 68 1HB ALA 68 -1.926 5.296 14.792 528 2HB ALA 68 2HB ALA 68 -1.452 5.801 16.414 529 3HB ALA 68 3HB ALA 68 -0.298 5.910 15.084 530 H LYS 69 H LYS 69 1.515 4.174 14.483 531 HA LYS 69 HA LYS 69 0.653 2.924 12.060 532 1HB LYS 69 1HB LYS 69 3.164 4.162 13.064 533 2HB LYS 69 2HB LYS 69 3.303 3.037 11.720 534 1HG LYS 69 1HG LYS 69 3.050 5.007 10.597 535 2HG LYS 69 2HG LYS 69 1.367 4.486 10.710 536 1HD LYS 69 1HD LYS 69 1.131 5.884 12.752 537 2HD LYS 69 2HD LYS 69 2.772 6.477 12.490 538 1HE LYS 69 1HE LYS 69 0.780 6.667 10.277 539 2HE LYS 69 2HE LYS 69 0.698 7.821 11.608 540 1HZ LYS 69 1HZ LYS 69 2.277 8.965 10.588 541 2HZ LYS 69 2HZ LYS 69 2.478 7.768 9.411 542 3HZ LYS 69 3HZ LYS 69 3.355 7.689 10.855 543 H TRP 70 H TRP 70 2.941 2.010 14.626 544 HA TRP 70 HA TRP 70 3.920 -0.349 13.715 545 1HB TRP 70 1HB TRP 70 4.267 0.806 15.997 546 2HB TRP 70 2HB TRP 70 2.893 -0.155 16.538 547 HD1 TRP 70 HD TRP 70 6.512 -0.558 15.300 548 HE1 TRP 70 1HE TRP 70 7.377 -2.860 16.059 549 HE3 TRP 70 3HE TRP 70 2.177 -2.457 17.232 550 HZ2 TRP 70 2HZ TRP 70 6.357 -5.175 17.311 551 HZ3 TRP 70 3HZ TRP 70 2.206 -4.723 18.191 552 HH2 TRP 70 HH TRP 70 4.254 -6.052 18.228 553 H ASP 71 H ASP 71 0.733 0.154 15.171 554 HA ASP 71 HA ASP 71 -0.023 -2.592 15.072 555 1HB ASP 71 1HB ASP 71 -1.519 -0.019 15.500 556 2HB ASP 71 2HB ASP 71 -2.381 -1.546 15.332 557 H ALA 72 H ALA 72 -0.177 0.073 12.839 558 HA ALA 72 HA ALA 72 -2.078 -1.123 11.065 559 1HB ALA 72 1HB ALA 72 -1.630 1.335 11.245 560 2HB ALA 72 2HB ALA 72 -0.102 1.053 10.410 561 3HB ALA 72 3HB ALA 72 -1.628 0.700 9.600 562 H TRP 73 H TRP 73 1.458 -0.762 11.044 563 HA TRP 73 HA TRP 73 1.753 -2.280 8.622 564 1HB TRP 73 1HB TRP 73 3.345 -0.496 9.253 565 2HB TRP 73 2HB TRP 73 3.843 -1.449 10.648 566 HD1 TRP 73 HD TRP 73 3.297 -3.541 7.600 567 HE1 TRP 73 1HE TRP 73 5.562 -4.230 6.591 568 HE3 TRP 73 3HE TRP 73 6.354 -0.452 10.290 569 HZ2 TRP 73 2HZ TRP 73 8.286 -3.553 6.897 570 HZ3 TRP 73 3HZ TRP 73 8.778 -0.535 9.872 571 HH2 TRP 73 HH TRP 73 9.722 -2.055 8.210 572 H ASN 74 H ASN 74 2.064 -2.901 12.074 573 HA ASN 74 HA ASN 74 3.264 -5.435 11.918 574 1HB ASN 74 1HB ASN 74 3.194 -4.248 14.020 575 2HB ASN 74 2HB ASN 74 1.433 -4.250 14.012 576 1HD2 ASN 74 1HD2 ASN 74 1.463 -5.255 16.053 577 2HD2 ASN 74 2HD2 ASN 74 1.793 -6.943 16.214 578 H ALA 75 H ALA 75 -0.165 -4.520 12.176 579 HA ALA 75 HA ALA 75 -1.453 -6.871 12.346 580 1HB ALA 75 1HB ALA 75 -2.108 -4.303 11.392 581 2HB ALA 75 2HB ALA 75 -2.711 -5.460 10.204 582 3HB ALA 75 3HB ALA 75 -3.205 -5.591 11.892 583 H LEU 76 H LEU 76 -0.134 -5.558 9.313 584 HA LEU 76 HA LEU 76 -0.931 -7.476 7.530 585 1HB LEU 76 1HB LEU 76 1.597 -5.882 7.737 586 2HB LEU 76 2HB LEU 76 1.358 -7.032 6.423 587 HG LEU 76 HG LEU 76 0.848 -4.628 5.886 588 1HD1 LEU 76 1HD1 LEU 76 -1.486 -6.507 5.592 589 2HD1 LEU 76 2HD1 LEU 76 -0.021 -6.586 4.615 590 3HD1 LEU 76 3HD1 LEU 76 -1.054 -5.158 4.541 591 1HD2 LEU 76 1HD2 LEU 76 -1.595 -5.124 7.581 592 2HD2 LEU 76 2HD2 LEU 76 -1.206 -3.664 6.671 593 3HD2 LEU 76 3HD2 LEU 76 -0.229 -4.120 8.067 594 H GLY 77 H GLY 77 2.045 -7.564 9.494 595 1HA GLY 77 1HA GLY 77 3.055 -9.425 10.459 596 2HA GLY 77 2HA GLY 77 1.858 -10.447 9.677 597 H SER 78 H SER 78 2.922 -11.907 8.513 598 HA SER 78 HA SER 78 5.406 -11.210 7.180 599 1HB SER 78 1HB SER 78 4.819 -13.441 8.430 600 2HB SER 78 2HB SER 78 4.070 -13.879 6.895 601 HG SER 78 HG SER 78 6.307 -13.020 6.114 602 H LEU 79 H LEU 79 3.103 -9.874 6.204 603 HA LEU 79 HA LEU 79 2.116 -11.135 3.847 604 1HB LEU 79 1HB LEU 79 1.043 -9.258 5.200 605 2HB LEU 79 2HB LEU 79 2.156 -8.176 4.366 606 HG LEU 79 HG LEU 79 -0.070 -8.160 3.353 607 1HD1 LEU 79 1HD1 LEU 79 1.511 -9.559 1.291 608 2HD1 LEU 79 2HD1 LEU 79 2.282 -8.176 2.068 609 3HD1 LEU 79 3HD1 LEU 79 0.732 -7.977 1.251 610 1HD2 LEU 79 1HD2 LEU 79 0.107 -10.963 3.738 611 2HD2 LEU 79 2HD2 LEU 79 -0.049 -10.663 2.007 612 3HD2 LEU 79 3HD2 LEU 79 -1.253 -10.022 3.126 613 HA PRO 80 HA PRO 80 5.702 -10.391 1.326 614 1HB PRO 80 1HB PRO 80 4.621 -11.301 -0.993 615 2HB PRO 80 2HB PRO 80 5.189 -12.377 0.290 616 1HG PRO 80 1HG PRO 80 2.402 -11.481 -0.337 617 2HG PRO 80 2HG PRO 80 2.986 -13.097 0.102 618 1HD PRO 80 1HD PRO 80 1.782 -11.450 1.883 619 2HD PRO 80 2HD PRO 80 3.050 -12.601 2.352 620 H LYS 81 H LYS 81 6.368 -8.878 -0.178 621 HA LYS 81 HA LYS 81 5.016 -6.473 -0.371 622 1HB LYS 81 1HB LYS 81 7.135 -7.653 -2.170 623 2HB LYS 81 2HB LYS 81 6.578 -5.990 -2.293 624 1HG LYS 81 1HG LYS 81 7.316 -5.578 0.004 625 2HG LYS 81 2HG LYS 81 7.892 -7.243 0.110 626 1HD LYS 81 1HD LYS 81 9.374 -6.753 -1.855 627 2HD LYS 81 2HD LYS 81 8.906 -5.058 -1.703 628 1HE LYS 81 1HE LYS 81 9.911 -4.874 0.427 629 2HE LYS 81 2HE LYS 81 10.077 -6.622 0.583 630 1HZ LYS 81 1HZ LYS 81 11.442 -5.948 -1.710 631 2HZ LYS 81 2HZ LYS 81 12.115 -6.385 -0.220 632 3HZ LYS 81 3HZ LYS 81 11.863 -4.753 -0.589 633 H GLU 82 H GLU 82 5.253 -9.036 -2.834 634 HA GLU 82 HA GLU 82 3.902 -8.014 -4.924 635 1HB GLU 82 1HB GLU 82 3.570 -10.767 -3.728 636 2HB GLU 82 2HB GLU 82 2.947 -10.310 -5.307 637 1HG GLU 82 1HG GLU 82 5.239 -9.780 -6.031 638 2HG GLU 82 2HG GLU 82 5.836 -10.324 -4.464 639 H ALA 83 H ALA 83 2.291 -9.568 -2.150 640 HA ALA 83 HA ALA 83 -0.320 -8.785 -3.023 641 1HB ALA 83 1HB ALA 83 -0.736 -10.535 -1.708 642 2HB ALA 83 2HB ALA 83 0.817 -10.389 -0.885 643 3HB ALA 83 3HB ALA 83 -0.558 -9.423 -0.350 644 H ALA 84 H ALA 84 1.984 -7.601 -0.618 645 HA ALA 84 HA ALA 84 0.455 -5.775 0.752 646 1HB ALA 84 1HB ALA 84 3.156 -6.366 0.568 647 2HB ALA 84 2HB ALA 84 3.053 -4.662 0.126 648 3HB ALA 84 3HB ALA 84 2.403 -5.213 1.670 649 H ARG 85 H ARG 85 2.205 -5.234 -2.300 650 HA ARG 85 HA ARG 85 1.430 -2.550 -2.631 651 1HB ARG 85 1HB ARG 85 2.324 -4.663 -4.586 652 2HB ARG 85 2HB ARG 85 1.955 -3.018 -5.085 653 1HG ARG 85 1HG ARG 85 3.651 -2.308 -3.294 654 2HG ARG 85 2HG ARG 85 4.171 -3.994 -3.328 655 1HD ARG 85 1HD ARG 85 4.188 -3.543 -5.940 656 2HD ARG 85 2HD ARG 85 4.418 -1.880 -5.400 657 HE ARG 85 HE ARG 85 6.327 -4.013 -5.285 658 1HH1 ARG 85 2HH1 ARG 85 5.324 -1.018 -3.822 659 2HH1 ARG 85 1HH1 ARG 85 6.894 -0.650 -3.189 660 1HH2 ARG 85 2HH2 ARG 85 8.399 -3.540 -4.457 661 2HH2 ARG 85 1HH2 ARG 85 8.643 -2.085 -3.551 662 H GLN 86 H GLN 86 -0.020 -5.578 -3.749 663 HA GLN 86 HA GLN 86 -2.020 -4.490 -5.370 664 1HB GLN 86 1HB GLN 86 -1.263 -6.969 -4.969 665 2HB GLN 86 2HB GLN 86 -2.529 -6.954 -3.748 666 1HG GLN 86 1HG GLN 86 -2.820 -6.510 -6.705 667 2HG GLN 86 2HG GLN 86 -3.462 -7.838 -5.739 668 1HE2 GLN 86 1HE2 GLN 86 -4.179 -4.948 -7.180 669 2HE2 GLN 86 2HE2 GLN 86 -5.625 -4.558 -6.320 670 H ASN 87 H ASN 87 -1.871 -4.984 -1.898 671 HA ASN 87 HA ASN 87 -4.619 -4.444 -1.392 672 1HB ASN 87 1HB ASN 87 -2.163 -4.448 0.361 673 2HB ASN 87 2HB ASN 87 -3.763 -4.055 0.984 674 1HD2 ASN 87 1HD2 ASN 87 -1.596 -6.517 0.148 675 2HD2 ASN 87 2HD2 ASN 87 -2.646 -7.863 0.413 676 H TYR 88 H TYR 88 -1.673 -2.475 -1.265 677 HA TYR 88 HA TYR 88 -2.745 -0.129 -0.249 678 1HB TYR 88 1HB TYR 88 -0.326 -0.538 -0.615 679 2HB TYR 88 2HB TYR 88 -0.579 -0.362 -2.348 680 HD1 TYR 88 1HD TYR 88 0.197 1.326 0.677 681 HD2 TYR 88 2HD TYR 88 -1.577 1.890 -3.149 682 HE1 TYR 88 1HE TYR 88 0.544 3.752 0.880 683 HE2 TYR 88 2HE TYR 88 -1.234 4.317 -2.957 684 HH TYR 88 HH TYR 88 -0.878 5.932 -0.457 685 H VAL 89 H VAL 89 -2.324 -1.005 -3.680 686 HA VAL 89 HA VAL 89 -3.644 1.256 -4.716 687 HB VAL 89 HB VAL 89 -3.899 -0.133 -6.801 688 1HG1 VAL 89 1HG1 VAL 89 -1.870 1.262 -6.128 689 2HG1 VAL 89 2HG1 VAL 89 -1.098 -0.273 -5.728 690 3HG1 VAL 89 3HG1 VAL 89 -1.633 0.042 -7.379 691 1HG2 VAL 89 1HG2 VAL 89 -3.204 -2.328 -6.925 692 2HG2 VAL 89 2HG2 VAL 89 -2.193 -2.202 -5.486 693 3HG2 VAL 89 3HG2 VAL 89 -3.947 -2.287 -5.326 694 H ASP 90 H ASP 90 -4.801 -1.897 -3.690 695 HA ASP 90 HA ASP 90 -7.375 -1.793 -4.797 696 1HB ASP 90 1HB ASP 90 -6.335 -3.825 -3.807 697 2HB ASP 90 2HB ASP 90 -6.547 -3.120 -2.207 698 H LEU 91 H LEU 91 -5.992 -0.197 -2.056 699 HA LEU 91 HA LEU 91 -8.534 0.491 -0.870 700 1HB LEU 91 1HB LEU 91 -6.527 0.147 0.503 701 2HB LEU 91 2HB LEU 91 -5.760 1.523 -0.288 702 HG LEU 91 HG LEU 91 -6.583 2.068 1.960 703 1HD1 LEU 91 1HD1 LEU 91 -6.563 3.681 -0.055 704 2HD1 LEU 91 2HD1 LEU 91 -7.427 4.154 1.407 705 3HD1 LEU 91 3HD1 LEU 91 -8.319 3.538 0.017 706 1HD2 LEU 91 1HD2 LEU 91 -8.472 0.556 2.080 707 2HD2 LEU 91 2HD2 LEU 91 -9.292 1.439 0.791 708 3HD2 LEU 91 3HD2 LEU 91 -9.009 2.215 2.350 709 H VAL 92 H VAL 92 -5.865 2.410 -2.264 710 HA VAL 92 HA VAL 92 -6.992 4.881 -2.346 711 HB VAL 92 HB VAL 92 -5.387 3.655 -4.594 712 1HG1 VAL 92 1HG1 VAL 92 -6.655 6.131 -4.472 713 2HG1 VAL 92 2HG1 VAL 92 -4.965 6.467 -4.091 714 3HG1 VAL 92 3HG1 VAL 92 -5.384 5.643 -5.593 715 1HG2 VAL 92 1HG2 VAL 92 -3.609 5.117 -3.232 716 2HG2 VAL 92 2HG2 VAL 92 -4.670 4.654 -1.902 717 3HG2 VAL 92 3HG2 VAL 92 -3.905 3.412 -2.894 718 H SER 93 H SER 93 -7.776 2.149 -4.384 719 HA SER 93 HA SER 93 -9.280 3.587 -6.319 720 1HB SER 93 1HB SER 93 -8.423 1.379 -6.844 721 2HB SER 93 2HB SER 93 -9.348 0.667 -5.523 722 HG SER 93 HG SER 93 -10.121 1.147 -8.038 723 H SER 94 H SER 94 -10.066 2.043 -3.260 724 HA SER 94 HA SER 94 -12.853 2.068 -3.445 725 1HB SER 94 1HB SER 94 -11.470 0.935 -1.662 726 2HB SER 94 2HB SER 94 -11.268 2.517 -0.909 727 HG SER 94 HG SER 94 -13.864 1.736 -1.533 728 H LEU 95 H LEU 95 -10.603 4.555 -2.312 729 HA LEU 95 HA LEU 95 -12.535 6.402 -1.433 730 1HB LEU 95 1HB LEU 95 -9.737 6.831 -2.463 731 2HB LEU 95 2HB LEU 95 -10.716 8.080 -1.697 732 HG LEU 95 HG LEU 95 -9.941 5.522 -0.310 733 1HD1 LEU 95 1HD1 LEU 95 -8.297 7.080 0.880 734 2HD1 LEU 95 2HD1 LEU 95 -8.489 8.138 -0.517 735 3HD1 LEU 95 3HD1 LEU 95 -7.864 6.502 -0.729 736 1HD2 LEU 95 1HD2 LEU 95 -11.005 6.332 1.488 737 2HD2 LEU 95 2HD2 LEU 95 -11.844 7.365 0.330 738 3HD2 LEU 95 3HD2 LEU 95 -10.440 7.978 1.204 739 H SER 96 H SER 96 -10.767 6.197 -4.517 740 HA SER 96 HA SER 96 -11.896 8.384 -5.789 741 1HB SER 96 1HB SER 96 -11.212 7.369 -7.873 742 2HB SER 96 2HB SER 96 -9.991 7.007 -6.654 743 HG SER 96 HG SER 96 -10.877 4.942 -6.445 744 HA PRO 97 HA PRO 97 -16.122 7.331 -6.425 745 1HB PRO 97 1HB PRO 97 -16.650 8.944 -8.544 746 2HB PRO 97 2HB PRO 97 -16.446 9.556 -6.898 747 1HG PRO 97 1HG PRO 97 -14.479 9.499 -9.154 748 2HG PRO 97 2HG PRO 97 -14.817 10.799 -7.997 749 1HD PRO 97 1HD PRO 97 -12.690 9.142 -7.746 750 2HD PRO 97 2HD PRO 97 -13.532 9.833 -6.345 751 H SER 98 H SER 98 -14.252 7.631 -9.453 752 HA SER 98 HA SER 98 -14.982 4.960 -10.250 753 1HB SER 98 1HB SER 98 -16.041 7.347 -11.781 754 2HB SER 98 2HB SER 98 -16.037 5.695 -12.396 755 HG SER 98 HG SER 98 -18.032 6.166 -11.448 756 H LEU 99 H LEU 99 -13.293 4.115 -11.266 757 HA LEU 99 HA LEU 99 -11.531 5.898 -12.808 758 1HB LEU 99 1HB LEU 99 -10.878 3.980 -10.643 759 2HB LEU 99 2HB LEU 99 -9.766 4.071 -12.007 760 HG LEU 99 HG LEU 99 -10.568 6.425 -10.300 761 1HD1 LEU 99 1HD1 LEU 99 -8.211 4.568 -10.154 762 2HD1 LEU 99 2HD1 LEU 99 -9.340 5.011 -8.874 763 3HD1 LEU 99 3HD1 LEU 99 -8.182 6.197 -9.477 764 1HD2 LEU 99 1HD2 LEU 99 -9.453 7.701 -11.740 765 2HD2 LEU 99 2HD2 LEU 99 -9.430 6.320 -12.838 766 3HD2 LEU 99 3HD2 LEU 99 -8.074 6.602 -11.745 767 H GLU 100 H GLU 100 -13.645 3.473 -13.045 768 HA GLU 100 HA GLU 100 -12.523 1.370 -14.393 769 1HB GLU 100 1HB GLU 100 -14.678 1.123 -15.564 770 2HB GLU 100 2HB GLU 100 -14.888 1.441 -13.848 771 1HG GLU 100 1HG GLU 100 -15.374 3.783 -14.338 772 2HG GLU 100 2HG GLU 100 -15.163 3.465 -16.059 773 H SER 101 H SER 101 -11.738 0.967 -16.397 774 HA SER 101 HA SER 101 -12.106 2.745 -18.606 775 1HB SER 101 1HB SER 101 -9.673 3.310 -18.856 776 2HB SER 101 2HB SER 101 -10.450 4.087 -17.477 777 HG SER 101 HG SER 101 -8.435 3.182 -16.906 778 H SER 102 H SER 102 -11.299 1.902 -20.565 779 HA SER 102 HA SER 102 -10.707 -0.964 -20.422 780 1HB SER 102 1HB SER 102 -11.586 0.712 -22.786 781 2HB SER 102 2HB SER 102 -11.404 -1.042 -22.773 782 HG SER 102 HG SER 102 -13.027 -1.057 -21.098 783 H SER 103 H SER 103 -8.698 -1.638 -20.706 784 HA SER 103 HA SER 103 -6.770 0.150 -22.010 785 1HB SER 103 1HB SER 103 -6.311 -0.700 -19.681 786 2HB SER 103 2HB SER 103 -6.178 -2.319 -20.366 787 HG SER 103 HG SER 103 -4.493 -1.465 -21.722 788 H GLN 104 H GLN 104 -6.624 -0.224 -24.127 789 HA GLN 104 HA GLN 104 -6.742 -2.990 -25.099 790 1HB GLN 104 1HB GLN 104 -7.123 -2.015 -27.313 791 2HB GLN 104 2HB GLN 104 -8.301 -1.426 -26.148 792 1HG GLN 104 1HG GLN 104 -7.309 0.690 -26.042 793 2HG GLN 104 2HG GLN 104 -5.823 0.125 -26.804 794 1HE2 GLN 104 1HE2 GLN 104 -7.135 2.363 -27.706 795 2HE2 GLN 104 2HE2 GLN 104 -7.804 2.049 -29.267 796 H VAL 105 H VAL 105 -4.411 -2.342 -23.795 797 HA VAL 105 HA VAL 105 -2.417 -1.552 -25.744 798 HB VAL 105 HB VAL 105 -0.793 -1.881 -23.940 799 1HG1 VAL 105 1HG1 VAL 105 -1.712 -0.187 -22.353 800 2HG1 VAL 105 2HG1 VAL 105 -1.839 0.268 -24.053 801 3HG1 VAL 105 3HG1 VAL 105 -3.259 -0.321 -23.188 802 1HG2 VAL 105 1HG2 VAL 105 -3.178 -2.922 -22.424 803 2HG2 VAL 105 2HG2 VAL 105 -1.677 -3.771 -22.791 804 3HG2 VAL 105 3HG2 VAL 105 -1.672 -2.426 -21.650 805 H GLU 106 H GLU 106 -3.816 -3.828 -26.553 806 HA GLU 106 HA GLU 106 -3.624 -6.106 -26.961 807 1HB GLU 106 1HB GLU 106 -1.458 -6.507 -28.238 808 2HB GLU 106 2HB GLU 106 -2.494 -5.216 -28.830 809 1HG GLU 106 1HG GLU 106 -1.084 -3.568 -27.705 810 2HG GLU 106 2HG GLU 106 -0.042 -4.864 -27.120 811 HA PRO 107 HA PRO 107 -0.926 -6.930 -23.166 812 1HB PRO 107 1HB PRO 107 -2.928 -7.718 -21.510 813 2HB PRO 107 2HB PRO 107 -2.397 -6.037 -21.643 814 1HG PRO 107 1HG PRO 107 -4.743 -7.389 -22.920 815 2HG PRO 107 2HG PRO 107 -4.652 -5.792 -22.156 816 1HD PRO 107 1HD PRO 107 -4.580 -6.128 -24.841 817 2HD PRO 107 2HD PRO 107 -3.713 -4.814 -24.020 818 H GLY 108 H GLY 108 0.031 -8.841 -23.461 819 1HA GLY 108 1HA GLY 108 -0.901 -11.302 -22.871 820 2HA GLY 108 2HA GLY 108 -1.435 -11.095 -24.532 821 H THR 109 H THR 109 0.412 -13.061 -23.541 822 HA THR 109 HA THR 109 2.825 -12.252 -25.029 823 HB THR 109 HB THR 109 3.311 -12.480 -22.623 824 HG1 THR 109 1HG THR 109 5.149 -13.597 -22.994 825 1HG2 THR 109 1HG2 THR 109 2.202 -14.049 -21.479 826 2HG2 THR 109 2HG2 THR 109 3.309 -15.224 -22.190 827 3HG2 THR 109 3HG2 THR 109 1.753 -14.904 -22.954 828 H ASP 110 H ASP 110 3.768 -13.775 -26.385 829 HA ASP 110 HA ASP 110 1.985 -15.953 -27.179 830 1HB ASP 110 1HB ASP 110 2.856 -14.277 -28.858 831 2HB ASP 110 2HB ASP 110 4.455 -14.976 -28.617 832 H SER 111 H SER 111 2.506 -17.348 -25.417 833 HA SER 111 HA SER 111 5.241 -18.330 -25.238 834 1HB SER 111 1HB SER 111 2.760 -18.667 -23.590 835 2HB SER 111 2HB SER 111 4.070 -19.837 -23.433 836 HG SER 111 HG SER 111 4.285 -18.107 -21.952 837 H GLY 112 H GLY 112 5.249 -19.260 -27.391 838 1HA GLY 112 1HA GLY 112 5.501 -21.516 -28.226 839 2HA GLY 112 2HA GLY 112 4.016 -21.939 -27.388 840 HA PRO 113 HA PRO 113 3.389 -20.382 -31.909 841 1HB PRO 113 1HB PRO 113 3.713 -22.677 -33.323 842 2HB PRO 113 2HB PRO 113 5.030 -21.535 -33.030 843 1HG PRO 113 1HG PRO 113 4.387 -24.091 -31.610 844 2HG PRO 113 2HG PRO 113 5.963 -23.468 -32.135 845 1HD PRO 113 1HD PRO 113 5.103 -23.282 -29.574 846 2HD PRO 113 2HD PRO 113 6.152 -22.060 -30.320 847 H SER 114 H SER 114 2.482 -23.216 -30.089 848 HA SER 114 HA SER 114 -0.188 -23.124 -31.334 849 1HB SER 114 1HB SER 114 -0.417 -25.510 -30.877 850 2HB SER 114 2HB SER 114 1.034 -25.221 -31.838 851 HG SER 114 HG SER 114 2.283 -25.552 -30.053 852 H SER 115 H SER 115 -1.813 -24.311 -29.752 853 HA SER 115 HA SER 115 -1.383 -23.202 -27.055 854 1HB SER 115 1HB SER 115 -3.060 -21.961 -28.534 855 2HB SER 115 2HB SER 115 -4.083 -23.390 -28.391 856 HG SER 115 HG SER 115 -3.428 -21.468 -26.496 857 H GLY 116 H GLY 116 -1.230 -24.780 -25.612 858 1HA GLY 116 1HA GLY 116 -2.987 -26.525 -24.706 859 2HA GLY 116 2HA GLY 116 -2.479 -27.366 -26.163 Start of MODEL 13 1 1H GLY 1 H GLY 1 -37.884 -6.735 -26.330 2 1HA GLY 1 1HA GLY 1 -35.674 -6.990 -24.643 3 2HA GLY 1 2HA GLY 1 -35.719 -7.494 -26.326 4 H SER 2 H SER 2 -33.828 -5.910 -24.377 5 HA SER 2 HA SER 2 -33.062 -3.927 -26.411 6 1HB SER 2 1HB SER 2 -34.144 -2.799 -24.479 7 2HB SER 2 2HB SER 2 -32.922 -3.497 -23.416 8 HG SER 2 HG SER 2 -32.360 -1.809 -25.627 9 H SER 3 H SER 3 -30.761 -3.222 -26.171 10 HA SER 3 HA SER 3 -29.105 -5.574 -25.767 11 1HB SER 3 1HB SER 3 -29.019 -3.832 -27.745 12 2HB SER 3 2HB SER 3 -27.993 -2.931 -26.629 13 HG SER 3 HG SER 3 -27.490 -5.655 -27.089 14 H GLY 4 H GLY 4 -27.580 -5.830 -24.215 15 1HA GLY 4 1HA GLY 4 -27.351 -3.653 -22.228 16 2HA GLY 4 2HA GLY 4 -27.346 -5.359 -21.805 17 H SER 5 H SER 5 -25.408 -2.795 -21.974 18 HA SER 5 HA SER 5 -23.115 -3.986 -23.263 19 1HB SER 5 1HB SER 5 -23.453 -1.558 -23.367 20 2HB SER 5 2HB SER 5 -23.352 -1.459 -21.609 21 HG SER 5 HG SER 5 -21.343 -1.821 -23.494 22 H SER 6 H SER 6 -21.879 -5.454 -22.321 23 HA SER 6 HA SER 6 -20.799 -5.127 -19.720 24 1HB SER 6 1HB SER 6 -21.813 -7.178 -18.703 25 2HB SER 6 2HB SER 6 -22.965 -5.864 -18.942 26 HG SER 6 HG SER 6 -22.610 -8.105 -20.650 27 H GLY 7 H GLY 7 -18.792 -5.755 -20.163 28 1HA GLY 7 1HA GLY 7 -18.319 -7.928 -22.049 29 2HA GLY 7 2HA GLY 7 -17.105 -6.850 -21.375 30 H MET 8 H MET 8 -15.705 -8.502 -20.792 31 HA MET 8 HA MET 8 -16.162 -10.881 -19.586 32 1HB MET 8 1HB MET 8 -13.927 -9.800 -20.186 33 2HB MET 8 2HB MET 8 -13.984 -9.048 -18.597 34 1HG MET 8 1HG MET 8 -12.623 -11.069 -18.599 35 2HG MET 8 2HG MET 8 -14.018 -11.219 -17.534 36 1HE MET 8 1HE MET 8 -14.401 -14.813 -18.440 37 2HE MET 8 2HE MET 8 -12.904 -14.015 -17.956 38 3HE MET 8 3HE MET 8 -14.436 -13.533 -17.226 39 H ASN 9 H ASN 9 -16.931 -11.624 -17.705 40 HA ASN 9 HA ASN 9 -18.052 -9.765 -15.821 41 1HB ASN 9 1HB ASN 9 -18.757 -11.872 -14.621 42 2HB ASN 9 2HB ASN 9 -19.334 -11.730 -16.279 43 1HD2 ASN 9 1HD2 ASN 9 -18.259 -12.951 -17.917 44 2HD2 ASN 9 2HD2 ASN 9 -17.447 -14.421 -17.512 45 H ARG 10 H ARG 10 -15.460 -12.186 -15.770 46 HA ARG 10 HA ARG 10 -14.747 -11.765 -13.057 47 1HB ARG 10 1HB ARG 10 -13.218 -12.955 -15.374 48 2HB ARG 10 2HB ARG 10 -12.620 -12.937 -13.721 49 1HG ARG 10 1HG ARG 10 -15.231 -14.197 -14.514 50 2HG ARG 10 2HG ARG 10 -13.700 -15.074 -14.462 51 1HD ARG 10 1HD ARG 10 -14.863 -13.576 -12.121 52 2HD ARG 10 2HD ARG 10 -15.113 -15.298 -12.407 53 HE ARG 10 HE ARG 10 -12.346 -14.509 -12.351 54 1HH1 ARG 10 2HH1 ARG 10 -15.084 -15.528 -10.457 55 2HH1 ARG 10 1HH1 ARG 10 -14.119 -16.145 -9.156 56 1HH2 ARG 10 2HH2 ARG 10 -11.066 -15.318 -10.646 57 2HH2 ARG 10 1HH2 ARG 10 -11.834 -16.024 -9.264 58 H THR 11 H THR 11 -12.540 -10.979 -12.407 59 HA THR 11 HA THR 11 -11.323 -8.966 -14.079 60 HB THR 11 HB THR 11 -12.606 -8.100 -11.481 61 HG1 THR 11 1HG THR 11 -14.009 -6.917 -12.856 62 1HG2 THR 11 1HG2 THR 11 -10.660 -6.803 -11.819 63 2HG2 THR 11 2HG2 THR 11 -11.992 -5.814 -12.419 64 3HG2 THR 11 3HG2 THR 11 -10.952 -6.675 -13.553 65 H ALA 12 H ALA 12 -9.206 -8.936 -13.691 66 HA ALA 12 HA ALA 12 -8.044 -10.545 -11.670 67 1HB ALA 12 1HB ALA 12 -6.243 -10.356 -12.955 68 2HB ALA 12 2HB ALA 12 -7.174 -9.294 -14.013 69 3HB ALA 12 3HB ALA 12 -6.193 -8.608 -12.718 70 H MET 13 H MET 13 -7.500 -10.089 -9.635 71 HA MET 13 HA MET 13 -7.789 -7.318 -8.716 72 1HB MET 13 1HB MET 13 -8.068 -9.987 -7.399 73 2HB MET 13 2HB MET 13 -7.648 -8.593 -6.413 74 1HG MET 13 1HG MET 13 -9.689 -7.485 -7.562 75 2HG MET 13 2HG MET 13 -10.150 -9.142 -7.941 76 1HE MET 13 1HE MET 13 -12.185 -8.358 -6.998 77 2HE MET 13 2HE MET 13 -12.608 -9.211 -5.514 78 3HE MET 13 3HE MET 13 -12.319 -7.471 -5.480 79 H ARG 14 H ARG 14 -5.452 -7.944 -10.119 80 HA ARG 14 HA ARG 14 -3.440 -7.835 -7.967 81 1HB ARG 14 1HB ARG 14 -1.883 -9.008 -9.318 82 2HB ARG 14 2HB ARG 14 -3.387 -9.915 -9.409 83 1HG ARG 14 1HG ARG 14 -3.734 -9.393 -11.604 84 2HG ARG 14 2HG ARG 14 -2.847 -7.871 -11.496 85 1HD ARG 14 1HD ARG 14 -1.330 -9.095 -12.675 86 2HD ARG 14 2HD ARG 14 -0.820 -9.512 -11.039 87 HE ARG 14 HE ARG 14 -2.784 -11.320 -12.045 88 1HH1 ARG 14 2HH1 ARG 14 0.604 -10.525 -12.132 89 2HH1 ARG 14 1HH1 ARG 14 1.106 -12.138 -12.518 90 1HH2 ARG 14 2HH2 ARG 14 -2.136 -13.447 -12.553 91 2HH2 ARG 14 1HH2 ARG 14 -0.453 -13.799 -12.758 92 H ALA 15 H ALA 15 -1.622 -6.468 -8.326 93 HA ALA 15 HA ALA 15 -1.841 -4.559 -10.535 94 1HB ALA 15 1HB ALA 15 -1.139 -2.905 -8.474 95 2HB ALA 15 2HB ALA 15 -2.758 -3.053 -9.158 96 3HB ALA 15 3HB ALA 15 -2.324 -3.969 -7.715 97 H SER 16 H SER 16 0.110 -3.347 -10.924 98 HA SER 16 HA SER 16 2.499 -4.763 -9.949 99 1HB SER 16 1HB SER 16 1.818 -3.474 -12.567 100 2HB SER 16 2HB SER 16 3.507 -3.585 -12.074 101 HG SER 16 HG SER 16 1.722 -5.789 -12.181 102 H GLN 17 H GLN 17 4.502 -3.418 -9.850 103 HA GLN 17 HA GLN 17 4.407 -1.459 -7.986 104 1HB GLN 17 1HB GLN 17 6.486 -2.498 -8.825 105 2HB GLN 17 2HB GLN 17 6.361 -1.536 -10.292 106 1HG GLN 17 1HG GLN 17 7.952 -0.510 -8.844 107 2HG GLN 17 2HG GLN 17 6.515 0.509 -8.905 108 1HE2 GLN 17 1HE2 GLN 17 6.067 1.358 -7.016 109 2HE2 GLN 17 2HE2 GLN 17 6.257 0.596 -5.478 110 H LYS 18 H LYS 18 4.394 -0.901 -11.500 111 HA LYS 18 HA LYS 18 4.347 1.830 -11.596 112 1HB LYS 18 1HB LYS 18 4.231 0.084 -13.504 113 2HB LYS 18 2HB LYS 18 2.487 0.224 -13.327 114 1HG LYS 18 1HG LYS 18 2.968 1.722 -15.022 115 2HG LYS 18 2HG LYS 18 2.881 2.755 -13.593 116 1HD LYS 18 1HD LYS 18 5.217 2.969 -13.473 117 2HD LYS 18 2HD LYS 18 5.483 1.599 -14.553 118 1HE LYS 18 1HE LYS 18 4.805 2.827 -16.443 119 2HE LYS 18 2HE LYS 18 4.075 4.094 -15.459 120 1HZ LYS 18 1HZ LYS 18 6.060 5.082 -15.092 121 2HZ LYS 18 2HZ LYS 18 6.450 4.350 -16.566 122 3HZ LYS 18 3HZ LYS 18 6.933 3.632 -15.112 123 H ASP 19 H ASP 19 1.505 -0.288 -11.250 124 HA ASP 19 HA ASP 19 -0.467 1.645 -11.126 125 1HB ASP 19 1HB ASP 19 -0.554 -0.997 -11.017 126 2HB ASP 19 2HB ASP 19 -0.647 -0.701 -9.283 127 H PHE 20 H PHE 20 1.553 0.379 -8.503 128 HA PHE 20 HA PHE 20 0.349 1.727 -6.378 129 1HB PHE 20 1HB PHE 20 2.081 -0.085 -6.202 130 2HB PHE 20 2HB PHE 20 3.298 1.112 -6.634 131 HD1 PHE 20 1HD PHE 20 3.509 3.170 -5.130 132 HD2 PHE 20 2HD PHE 20 1.443 -0.373 -3.990 133 HE1 PHE 20 1HE PHE 20 3.716 3.814 -2.765 134 HE2 PHE 20 2HE PHE 20 1.646 0.267 -1.623 135 HZ PHE 20 HZ PHE 20 2.783 2.363 -1.008 136 H GLU 21 H GLU 21 3.308 2.677 -8.135 137 HA GLU 21 HA GLU 21 3.836 5.087 -7.016 138 1HB GLU 21 1HB GLU 21 4.085 4.100 -9.827 139 2HB GLU 21 2HB GLU 21 4.444 5.786 -9.482 140 1HG GLU 21 1HG GLU 21 6.032 4.956 -7.707 141 2HG GLU 21 2HG GLU 21 5.805 3.345 -8.387 142 H ASN 22 H ASN 22 1.254 4.360 -9.279 143 HA ASN 22 HA ASN 22 0.478 7.118 -9.589 144 1HB ASN 22 1HB ASN 22 -0.752 4.506 -10.466 145 2HB ASN 22 2HB ASN 22 -1.542 6.057 -10.736 146 1HD2 ASN 22 1HD2 ASN 22 0.273 3.800 -12.174 147 2HD2 ASN 22 2HD2 ASN 22 1.101 4.763 -13.345 148 H SER 23 H SER 23 -0.740 4.281 -7.851 149 HA SER 23 HA SER 23 -3.074 5.429 -6.821 150 1HB SER 23 1HB SER 23 -1.305 3.195 -5.835 151 2HB SER 23 2HB SER 23 -2.771 3.669 -4.978 152 HG SER 23 HG SER 23 -2.648 2.877 -7.702 153 H MET 24 H MET 24 0.153 5.144 -5.342 154 HA MET 24 HA MET 24 -0.391 6.422 -2.939 155 1HB MET 24 1HB MET 24 2.050 6.960 -2.898 156 2HB MET 24 2HB MET 24 1.693 5.273 -3.243 157 1HG MET 24 1HG MET 24 2.446 5.402 -5.384 158 2HG MET 24 2HG MET 24 2.041 7.109 -5.542 159 1HE MET 24 1HE MET 24 3.544 8.521 -6.071 160 2HE MET 24 2HE MET 24 5.183 8.759 -5.468 161 3HE MET 24 3HE MET 24 4.869 7.550 -6.712 162 H ASN 25 H ASN 25 0.351 7.776 -6.099 163 HA ASN 25 HA ASN 25 0.771 10.439 -5.286 164 1HB ASN 25 1HB ASN 25 1.371 9.508 -7.525 165 2HB ASN 25 2HB ASN 25 -0.342 9.487 -7.933 166 1HD2 ASN 25 1HD2 ASN 25 0.507 10.852 -9.706 167 2HD2 ASN 25 2HD2 ASN 25 0.603 12.556 -9.435 168 H GLN 26 H GLN 26 -2.146 8.810 -6.514 169 HA GLN 26 HA GLN 26 -3.899 10.940 -6.489 170 1HB GLN 26 1HB GLN 26 -4.502 8.071 -5.750 171 2HB GLN 26 2HB GLN 26 -5.694 9.277 -6.215 172 1HG GLN 26 1HG GLN 26 -4.594 9.458 -8.419 173 2HG GLN 26 2HG GLN 26 -3.496 8.164 -7.942 174 1HE2 GLN 26 1HE2 GLN 26 -6.819 8.980 -8.666 175 2HE2 GLN 26 2HE2 GLN 26 -7.345 7.368 -8.998 176 H VAL 27 H VAL 27 -2.997 8.802 -3.813 177 HA VAL 27 HA VAL 27 -4.782 9.868 -1.910 178 HB VAL 27 HB VAL 27 -2.093 8.593 -1.387 179 1HG1 VAL 27 1HG1 VAL 27 -3.115 9.808 0.522 180 2HG1 VAL 27 2HG1 VAL 27 -4.526 8.756 0.387 181 3HG1 VAL 27 3HG1 VAL 27 -2.951 8.074 0.797 182 1HG2 VAL 27 1HG2 VAL 27 -4.761 7.458 -2.074 183 2HG2 VAL 27 2HG2 VAL 27 -3.153 6.937 -2.574 184 3HG2 VAL 27 3HG2 VAL 27 -3.727 6.584 -0.944 185 H LYS 28 H LYS 28 -1.753 10.989 -3.147 186 HA LYS 28 HA LYS 28 -1.322 12.853 -0.964 187 1HB LYS 28 1HB LYS 28 0.158 12.383 -3.555 188 2HB LYS 28 2HB LYS 28 0.625 13.594 -2.368 189 1HG LYS 28 1HG LYS 28 0.755 11.681 -0.699 190 2HG LYS 28 2HG LYS 28 0.662 10.607 -2.097 191 1HD LYS 28 1HD LYS 28 2.703 12.807 -1.859 192 2HD LYS 28 2HD LYS 28 2.989 11.168 -1.270 193 1HE LYS 28 1HE LYS 28 3.898 11.089 -3.393 194 2HE LYS 28 2HE LYS 28 2.274 10.460 -3.663 195 1HZ LYS 28 1HZ LYS 28 2.519 13.329 -3.919 196 2HZ LYS 28 2HZ LYS 28 1.714 12.218 -4.908 197 3HZ LYS 28 3HZ LYS 28 3.382 12.447 -5.077 198 H LEU 29 H LEU 29 -3.062 12.767 -3.863 199 HA LEU 29 HA LEU 29 -2.871 15.554 -4.521 200 1HB LEU 29 1HB LEU 29 -4.417 13.216 -5.491 201 2HB LEU 29 2HB LEU 29 -5.074 14.818 -5.819 202 HG LEU 29 HG LEU 29 -3.163 15.418 -7.115 203 1HD1 LEU 29 1HD1 LEU 29 -1.153 14.341 -7.154 204 2HD1 LEU 29 2HD1 LEU 29 -1.858 12.769 -6.781 205 3HD1 LEU 29 3HD1 LEU 29 -1.657 13.970 -5.506 206 1HD2 LEU 29 1HD2 LEU 29 -3.599 14.144 -8.953 207 2HD2 LEU 29 2HD2 LEU 29 -4.965 13.662 -7.946 208 3HD2 LEU 29 3HD2 LEU 29 -3.540 12.627 -8.055 209 H LEU 30 H LEU 30 -5.281 13.496 -2.927 210 HA LEU 30 HA LEU 30 -7.272 15.395 -2.531 211 1HB LEU 30 1HB LEU 30 -8.093 13.980 -0.768 212 2HB LEU 30 2HB LEU 30 -7.525 12.986 -2.108 213 HG LEU 30 HG LEU 30 -5.336 12.838 -0.675 214 1HD1 LEU 30 1HD1 LEU 30 -7.097 12.890 1.673 215 2HD1 LEU 30 2HD1 LEU 30 -6.718 14.470 0.988 216 3HD1 LEU 30 3HD1 LEU 30 -5.416 13.395 1.497 217 1HD2 LEU 30 1HD2 LEU 30 -7.141 11.129 0.709 218 2HD2 LEU 30 2HD2 LEU 30 -6.020 10.730 -0.593 219 3HD2 LEU 30 3HD2 LEU 30 -7.663 11.252 -0.971 220 H LYS 31 H LYS 31 -7.435 17.155 -1.309 221 HA LYS 31 HA LYS 31 -5.335 17.665 0.681 222 1HB LYS 31 1HB LYS 31 -7.174 19.547 -0.804 223 2HB LYS 31 2HB LYS 31 -6.084 20.055 0.478 224 1HG LYS 31 1HG LYS 31 -4.796 20.524 -1.335 225 2HG LYS 31 2HG LYS 31 -4.291 18.859 -1.039 226 1HD LYS 31 1HD LYS 31 -4.713 18.803 -3.302 227 2HD LYS 31 2HD LYS 31 -6.271 18.286 -2.652 228 1HE LYS 31 1HE LYS 31 -7.039 20.651 -2.797 229 2HE LYS 31 2HE LYS 31 -5.519 21.050 -3.597 230 1HZ LYS 31 1HZ LYS 31 -7.506 19.083 -4.601 231 2HZ LYS 31 2HZ LYS 31 -6.080 19.549 -5.382 232 3HZ LYS 31 3HZ LYS 31 -7.334 20.666 -5.172 233 H LYS 32 H LYS 32 -7.966 16.123 0.929 234 HA LYS 32 HA LYS 32 -9.199 17.696 3.083 235 1HB LYS 32 1HB LYS 32 -11.141 16.300 2.845 236 2HB LYS 32 2HB LYS 32 -10.667 16.859 1.246 237 1HG LYS 32 1HG LYS 32 -9.720 14.736 0.707 238 2HG LYS 32 2HG LYS 32 -9.924 14.166 2.365 239 1HD LYS 32 1HD LYS 32 -12.221 13.948 2.143 240 2HD LYS 32 2HD LYS 32 -12.298 15.079 0.789 241 1HE LYS 32 1HE LYS 32 -11.324 13.476 -0.692 242 2HE LYS 32 2HE LYS 32 -10.963 12.382 0.642 243 1HZ LYS 32 1HZ LYS 32 -13.746 13.085 0.441 244 2HZ LYS 32 2HZ LYS 32 -13.025 11.565 0.617 245 3HZ LYS 32 3HZ LYS 32 -13.164 12.262 -0.918 246 H ASP 33 H ASP 33 -10.149 16.188 4.865 247 HA ASP 33 HA ASP 33 -7.998 14.355 5.700 248 1HB ASP 33 1HB ASP 33 -8.481 14.932 7.991 249 2HB ASP 33 2HB ASP 33 -8.254 16.422 7.080 250 HA PRO 34 HA PRO 34 -11.516 11.529 5.145 251 1HB PRO 34 1HB PRO 34 -9.960 9.325 4.843 252 2HB PRO 34 2HB PRO 34 -10.303 10.447 3.521 253 1HG PRO 34 1HG PRO 34 -7.880 10.264 5.269 254 2HG PRO 34 2HG PRO 34 -7.978 10.514 3.516 255 1HD PRO 34 1HD PRO 34 -7.547 12.544 5.255 256 2HD PRO 34 2HD PRO 34 -8.439 12.761 3.736 257 H GLY 35 H GLY 35 -8.645 11.081 7.183 258 1HA GLY 35 1HA GLY 35 -9.458 10.912 9.631 259 2HA GLY 35 2HA GLY 35 -10.254 9.462 9.039 260 H ASN 36 H ASN 36 -7.960 10.090 10.987 261 HA ASN 36 HA ASN 36 -5.535 9.155 10.070 262 1HB ASN 36 1HB ASN 36 -6.880 8.949 12.754 263 2HB ASN 36 2HB ASN 36 -5.277 8.271 12.487 264 1HD2 ASN 36 1HD2 ASN 36 -4.142 9.639 13.761 265 2HD2 ASN 36 2HD2 ASN 36 -3.986 11.333 13.458 266 H GLU 37 H GLU 37 -8.468 7.438 10.426 267 HA GLU 37 HA GLU 37 -7.555 4.836 10.903 268 1HB GLU 37 1HB GLU 37 -9.687 4.126 10.359 269 2HB GLU 37 2HB GLU 37 -9.976 5.808 10.779 270 1HG GLU 37 1HG GLU 37 -9.923 6.393 8.393 271 2HG GLU 37 2HG GLU 37 -9.699 4.690 7.999 272 H VAL 38 H VAL 38 -8.065 6.567 7.847 273 HA VAL 38 HA VAL 38 -7.068 4.349 6.285 274 HB VAL 38 HB VAL 38 -8.795 5.666 5.275 275 1HG1 VAL 38 1HG1 VAL 38 -8.558 7.741 6.441 276 2HG1 VAL 38 2HG1 VAL 38 -6.968 8.019 5.728 277 3HG1 VAL 38 3HG1 VAL 38 -8.410 8.066 4.714 278 1HG2 VAL 38 1HG2 VAL 38 -6.879 4.808 3.865 279 2HG2 VAL 38 2HG2 VAL 38 -7.838 6.107 3.156 280 3HG2 VAL 38 3HG2 VAL 38 -6.261 6.460 3.861 281 H LYS 39 H LYS 39 -5.943 7.560 7.257 282 HA LYS 39 HA LYS 39 -3.626 7.761 5.775 283 1HB LYS 39 1HB LYS 39 -4.152 8.653 8.614 284 2HB LYS 39 2HB LYS 39 -2.747 9.141 7.677 285 1HG LYS 39 1HG LYS 39 -3.947 10.538 6.338 286 2HG LYS 39 2HG LYS 39 -5.429 9.591 6.490 287 1HD LYS 39 1HD LYS 39 -5.990 10.552 8.518 288 2HD LYS 39 2HD LYS 39 -4.325 11.014 8.876 289 1HE LYS 39 1HE LYS 39 -4.397 12.789 7.286 290 2HE LYS 39 2HE LYS 39 -5.944 12.233 6.648 291 1HZ LYS 39 1HZ LYS 39 -7.073 12.987 8.501 292 2HZ LYS 39 2HZ LYS 39 -5.914 14.198 8.276 293 3HZ LYS 39 3HZ LYS 39 -5.691 13.026 9.476 294 H LEU 40 H LEU 40 -4.365 5.521 8.242 295 HA LEU 40 HA LEU 40 -1.561 4.895 8.763 296 1HB LEU 40 1HB LEU 40 -4.157 4.001 9.970 297 2HB LEU 40 2HB LEU 40 -2.653 3.141 10.292 298 HG LEU 40 HG LEU 40 -2.961 6.080 10.845 299 1HD1 LEU 40 1HD1 LEU 40 -3.466 5.505 13.157 300 2HD1 LEU 40 2HD1 LEU 40 -3.510 3.794 12.734 301 3HD1 LEU 40 3HD1 LEU 40 -4.714 4.898 12.069 302 1HD2 LEU 40 1HD2 LEU 40 -0.858 4.128 11.081 303 2HD2 LEU 40 2HD2 LEU 40 -1.245 4.822 12.655 304 3HD2 LEU 40 3HD2 LEU 40 -0.799 5.876 11.313 305 H LYS 41 H LYS 41 -4.467 3.440 7.372 306 HA LYS 41 HA LYS 41 -3.382 0.905 6.822 307 1HB LYS 41 1HB LYS 41 -5.345 0.468 5.716 308 2HB LYS 41 2HB LYS 41 -5.848 1.846 6.687 309 1HG LYS 41 1HG LYS 41 -5.267 3.286 4.683 310 2HG LYS 41 2HG LYS 41 -5.158 1.782 3.767 311 1HD LYS 41 1HD LYS 41 -7.581 2.665 5.333 312 2HD LYS 41 2HD LYS 41 -7.374 2.891 3.595 313 1HE LYS 41 1HE LYS 41 -7.249 0.494 3.269 314 2HE LYS 41 2HE LYS 41 -7.338 0.226 5.009 315 1HZ LYS 41 1HZ LYS 41 -9.464 -0.050 3.691 316 2HZ LYS 41 2HZ LYS 41 -9.481 1.634 3.534 317 3HZ LYS 41 3HZ LYS 41 -9.553 0.927 5.069 318 H LEU 42 H LEU 42 -3.200 3.954 5.127 319 HA LEU 42 HA LEU 42 -2.203 2.867 2.677 320 1HB LEU 42 1HB LEU 42 -2.585 5.567 3.837 321 2HB LEU 42 2HB LEU 42 -1.400 5.408 2.541 322 HG LEU 42 HG LEU 42 -3.503 6.120 1.619 323 1HD1 LEU 42 1HD1 LEU 42 -2.046 4.341 0.479 324 2HD1 LEU 42 2HD1 LEU 42 -3.687 4.584 -0.120 325 3HD1 LEU 42 3HD1 LEU 42 -3.324 3.211 0.926 326 1HD2 LEU 42 1HD2 LEU 42 -4.785 4.987 3.580 327 2HD2 LEU 42 2HD2 LEU 42 -4.840 3.596 2.498 328 3HD2 LEU 42 3HD2 LEU 42 -5.553 5.130 1.998 329 H TYR 43 H TYR 43 -0.814 3.763 5.708 330 HA TYR 43 HA TYR 43 1.889 3.887 4.648 331 1HB TYR 43 1HB TYR 43 1.812 5.393 6.362 332 2HB TYR 43 2HB TYR 43 0.584 4.492 7.243 333 HD1 TYR 43 1HD TYR 43 4.172 4.923 6.674 334 HD2 TYR 43 2HD TYR 43 1.211 2.715 8.785 335 HE1 TYR 43 1HE TYR 43 5.905 4.064 8.194 336 HE2 TYR 43 2HE TYR 43 2.935 1.850 10.311 337 HH TYR 43 HH TYR 43 6.265 2.166 9.689 338 H ALA 44 H ALA 44 -0.166 1.708 6.473 339 HA ALA 44 HA ALA 44 1.731 -0.096 7.416 340 1HB ALA 44 1HB ALA 44 -1.156 -0.335 6.689 341 2HB ALA 44 2HB ALA 44 -0.236 -1.776 7.126 342 3HB ALA 44 3HB ALA 44 -0.383 -0.442 8.271 343 H LEU 45 H LEU 45 -0.007 -0.083 4.314 344 HA LEU 45 HA LEU 45 1.250 -2.432 3.324 345 1HB LEU 45 1HB LEU 45 -0.324 -0.215 2.062 346 2HB LEU 45 2HB LEU 45 0.424 -1.475 1.082 347 HG LEU 45 HG LEU 45 -1.763 -2.210 1.326 348 1HD1 LEU 45 1HD1 LEU 45 0.042 -3.847 2.083 349 2HD1 LEU 45 2HD1 LEU 45 -1.625 -4.214 2.526 350 3HD1 LEU 45 3HD1 LEU 45 -0.526 -3.528 3.722 351 1HD2 LEU 45 1HD2 LEU 45 -2.915 -2.236 3.561 352 2HD2 LEU 45 2HD2 LEU 45 -2.618 -0.635 2.883 353 3HD2 LEU 45 3HD2 LEU 45 -1.587 -1.252 4.175 354 H TYR 46 H TYR 46 1.799 1.033 2.767 355 HA TYR 46 HA TYR 46 3.738 1.005 0.860 356 1HB TYR 46 1HB TYR 46 2.963 3.098 1.716 357 2HB TYR 46 2HB TYR 46 3.545 2.724 3.334 358 HD1 TYR 46 1HD TYR 46 4.781 3.236 -0.148 359 HD2 TYR 46 2HD TYR 46 5.616 3.524 4.014 360 HE1 TYR 46 1HE TYR 46 6.906 4.366 -0.658 361 HE2 TYR 46 2HE TYR 46 7.742 4.656 3.515 362 HH TYR 46 HH TYR 46 8.907 5.007 0.216 363 H LYS 47 H LYS 47 4.384 0.797 4.361 364 HA LYS 47 HA LYS 47 7.145 0.228 4.039 365 1HB LYS 47 1HB LYS 47 5.386 -0.373 6.423 366 2HB LYS 47 2HB LYS 47 7.140 -0.251 6.420 367 1HG LYS 47 1HG LYS 47 5.428 2.061 5.591 368 2HG LYS 47 2HG LYS 47 5.774 1.736 7.291 369 1HD LYS 47 1HD LYS 47 8.057 1.787 5.388 370 2HD LYS 47 2HD LYS 47 7.310 3.325 5.826 371 1HE LYS 47 1HE LYS 47 7.575 2.596 8.242 372 2HE LYS 47 2HE LYS 47 8.605 1.300 7.635 373 1HZ LYS 47 1HZ LYS 47 9.068 4.209 7.251 374 2HZ LYS 47 2HZ LYS 47 10.051 2.972 6.646 375 3HZ LYS 47 3HZ LYS 47 9.914 3.203 8.316 376 H GLN 48 H GLN 48 4.381 -1.662 3.602 377 HA GLN 48 HA GLN 48 5.679 -4.183 4.247 378 1HB GLN 48 1HB GLN 48 3.206 -3.658 4.657 379 2HB GLN 48 2HB GLN 48 2.996 -3.843 2.921 380 1HG GLN 48 1HG GLN 48 2.487 -5.949 3.591 381 2HG GLN 48 2HG GLN 48 4.226 -6.130 3.364 382 1HE2 GLN 48 1HE2 GLN 48 3.841 -7.967 4.829 383 2HE2 GLN 48 2HE2 GLN 48 3.894 -7.679 6.532 384 H ALA 49 H ALA 49 4.933 -2.210 1.483 385 HA ALA 49 HA ALA 49 5.741 -4.340 -0.358 386 1HB ALA 49 1HB ALA 49 4.232 -1.795 -0.645 387 2HB ALA 49 2HB ALA 49 5.129 -2.397 -2.039 388 3HB ALA 49 3HB ALA 49 3.884 -3.398 -1.293 389 H THR 50 H THR 50 7.402 -2.424 1.498 390 HA THR 50 HA THR 50 9.442 -1.865 -0.547 391 HB THR 50 HB THR 50 10.092 0.184 0.669 392 HG1 THR 50 1HG THR 50 7.676 -0.225 2.129 393 1HG2 THR 50 1HG2 THR 50 7.226 0.681 0.158 394 2HG2 THR 50 2HG2 THR 50 8.124 -0.076 -1.158 395 3HG2 THR 50 3HG2 THR 50 8.652 1.476 -0.508 396 H GLU 51 H GLU 51 8.733 -2.426 2.872 397 HA GLU 51 HA GLU 51 11.514 -3.317 3.246 398 1HB GLU 51 1HB GLU 51 9.562 -2.629 5.439 399 2HB GLU 51 2HB GLU 51 11.305 -2.824 5.567 400 1HG GLU 51 1HG GLU 51 11.533 -0.827 4.062 401 2HG GLU 51 2HG GLU 51 9.797 -0.585 4.249 402 H GLY 52 H GLY 52 8.130 -4.155 3.785 403 1HA GLY 52 1HA GLY 52 7.561 -6.519 3.372 404 2HA GLY 52 2HA GLY 52 9.000 -6.935 4.291 405 HA PRO 53 HA PRO 53 5.624 -7.401 7.303 406 1HB PRO 53 1HB PRO 53 6.936 -9.251 8.795 407 2HB PRO 53 2HB PRO 53 6.034 -9.661 7.331 408 1HG PRO 53 1HG PRO 53 8.978 -9.255 7.692 409 2HG PRO 53 2HG PRO 53 8.127 -10.507 6.770 410 1HD PRO 53 1HD PRO 53 9.232 -8.332 5.596 411 2HD PRO 53 2HD PRO 53 7.766 -9.114 4.969 412 H CYS 54 H CYS 54 5.385 -6.455 9.276 413 HA CYS 54 HA CYS 54 6.922 -4.440 10.182 414 1HB CYS 54 1HB CYS 54 4.836 -4.725 11.234 415 2HB CYS 54 2HB CYS 54 5.207 -6.375 11.719 416 HG CYS 54 HG CYS 54 7.085 -5.599 13.661 417 H ASN 55 H ASN 55 9.093 -4.548 10.292 418 HA ASN 55 HA ASN 55 10.262 -6.616 12.038 419 1HB ASN 55 1HB ASN 55 12.401 -5.859 10.624 420 2HB ASN 55 2HB ASN 55 11.310 -7.126 10.070 421 1HD2 ASN 55 1HD2 ASN 55 11.797 -3.624 9.905 422 2HD2 ASN 55 2HD2 ASN 55 11.242 -3.449 8.278 423 H MET 56 H MET 56 9.227 -3.761 12.484 424 HA MET 56 HA MET 56 11.680 -2.510 13.481 425 1HB MET 56 1HB MET 56 10.098 -0.558 13.928 426 2HB MET 56 2HB MET 56 10.407 -0.960 12.244 427 1HG MET 56 1HG MET 56 8.293 -2.035 12.034 428 2HG MET 56 2HG MET 56 8.002 -1.921 13.768 429 1HE MET 56 1HE MET 56 8.554 0.462 14.852 430 2HE MET 56 2HE MET 56 9.288 1.556 13.680 431 3HE MET 56 3HE MET 56 7.674 1.891 14.310 432 HA PRO 57 HA PRO 57 10.894 -3.463 17.693 433 1HB PRO 57 1HB PRO 57 11.796 -1.223 18.934 434 2HB PRO 57 2HB PRO 57 12.874 -2.406 18.184 435 1HG PRO 57 1HG PRO 57 11.895 0.211 17.111 436 2HG PRO 57 2HG PRO 57 13.524 -0.486 17.044 437 1HD PRO 57 1HD PRO 57 11.818 -0.567 14.943 438 2HD PRO 57 2HD PRO 57 13.004 -1.850 15.260 439 H LYS 58 H LYS 58 9.152 -3.428 18.973 440 HA LYS 58 HA LYS 58 6.938 -1.777 18.450 441 1HB LYS 58 1HB LYS 58 6.918 -4.064 19.532 442 2HB LYS 58 2HB LYS 58 7.449 -3.283 21.016 443 1HG LYS 58 1HG LYS 58 5.432 -2.017 21.158 444 2HG LYS 58 2HG LYS 58 4.927 -2.546 19.551 445 1HD LYS 58 1HD LYS 58 4.365 -4.657 20.276 446 2HD LYS 58 2HD LYS 58 5.478 -4.598 21.645 447 1HE LYS 58 1HE LYS 58 3.157 -2.724 21.567 448 2HE LYS 58 2HE LYS 58 2.886 -4.410 22.008 449 1HZ LYS 58 1HZ LYS 58 4.446 -2.354 23.419 450 2HZ LYS 58 2HZ LYS 58 4.842 -3.985 23.623 451 3HZ LYS 58 3HZ LYS 58 3.296 -3.433 24.032 452 HA PRO 59 HA PRO 59 8.338 1.852 20.635 453 1HB PRO 59 1HB PRO 59 6.124 3.339 20.128 454 2HB PRO 59 2HB PRO 59 7.390 3.061 18.927 455 1HG PRO 59 1HG PRO 59 4.748 1.689 19.247 456 2HG PRO 59 2HG PRO 59 5.544 2.252 17.765 457 1HD PRO 59 1HD PRO 59 5.580 -0.341 18.542 458 2HD PRO 59 2HD PRO 59 6.922 0.408 17.655 459 H GLY 60 H GLY 60 7.594 3.152 22.448 460 1HA GLY 60 1HA GLY 60 6.117 1.537 24.352 461 2HA GLY 60 2HA GLY 60 6.963 3.040 24.690 462 H VAL 61 H VAL 61 4.403 2.405 25.683 463 HA VAL 61 HA VAL 61 2.202 3.288 24.312 464 HB VAL 61 HB VAL 61 1.318 4.086 26.538 465 1HG1 VAL 61 1HG1 VAL 61 2.338 1.366 25.943 466 2HG1 VAL 61 2HG1 VAL 61 1.735 1.673 27.573 467 3HG1 VAL 61 3HG1 VAL 61 0.684 1.930 26.180 468 1HG2 VAL 61 1HG2 VAL 61 2.952 3.106 28.413 469 2HG2 VAL 61 2HG2 VAL 61 4.157 3.628 27.236 470 3HG2 VAL 61 3HG2 VAL 61 3.000 4.789 27.888 471 H PHE 62 H PHE 62 4.312 5.327 26.343 472 HA PHE 62 HA PHE 62 3.191 7.769 26.038 473 1HB PHE 62 1HB PHE 62 6.044 6.890 26.185 474 2HB PHE 62 2HB PHE 62 5.698 8.587 25.867 475 HD1 PHE 62 1HD PHE 62 4.744 5.856 28.218 476 HD2 PHE 62 2HD PHE 62 5.446 10.016 27.650 477 HE1 PHE 62 1HE PHE 62 4.422 6.236 30.627 478 HE2 PHE 62 2HE PHE 62 5.125 10.402 30.058 479 HZ PHE 62 HZ PHE 62 4.613 8.511 31.551 480 H ASP 63 H ASP 63 4.986 5.993 23.609 481 HA ASP 63 HA ASP 63 4.926 8.215 21.740 482 1HB ASP 63 1HB ASP 63 6.126 5.476 21.750 483 2HB ASP 63 2HB ASP 63 5.865 6.283 20.206 484 H LEU 64 H LEU 64 2.518 8.265 21.870 485 HA LEU 64 HA LEU 64 0.918 6.191 20.845 486 1HB LEU 64 1HB LEU 64 0.252 9.108 20.611 487 2HB LEU 64 2HB LEU 64 -0.848 7.745 20.803 488 HG LEU 64 HG LEU 64 1.005 8.839 22.918 489 1HD1 LEU 64 1HD1 LEU 64 -1.981 9.017 22.560 490 2HD1 LEU 64 2HD1 LEU 64 -0.821 10.346 22.534 491 3HD1 LEU 64 3HD1 LEU 64 -1.120 9.466 24.033 492 1HD2 LEU 64 1HD2 LEU 64 0.519 7.085 24.230 493 2HD2 LEU 64 2HD2 LEU 64 0.154 6.267 22.711 494 3HD2 LEU 64 3HD2 LEU 64 -1.147 6.989 23.659 495 H ILE 65 H ILE 65 2.538 8.913 19.297 496 HA ILE 65 HA ILE 65 1.377 8.756 16.769 497 HB ILE 65 HB ILE 65 4.066 9.691 17.710 498 1HG1 ILE 65 1HG1 ILE 65 2.119 11.352 16.184 499 2HG1 ILE 65 2HG1 ILE 65 1.691 10.900 17.830 500 1HG2 ILE 65 1HG2 ILE 65 3.306 8.978 14.979 501 2HG2 ILE 65 2HG2 ILE 65 3.919 10.622 15.146 502 3HG2 ILE 65 3HG2 ILE 65 4.901 9.258 15.677 503 1HD1 ILE 65 1HD1 ILE 65 2.784 12.777 18.360 504 2HD1 ILE 65 2HD1 ILE 65 4.224 11.772 18.184 505 3HD1 ILE 65 3HD1 ILE 65 3.695 12.797 16.850 506 H ASN 66 H ASN 66 4.372 7.215 17.936 507 HA ASN 66 HA ASN 66 4.825 5.757 15.544 508 1HB ASN 66 1HB ASN 66 5.905 5.535 18.347 509 2HB ASN 66 2HB ASN 66 6.362 4.386 17.092 510 1HD2 ASN 66 1HD2 ASN 66 6.043 7.898 17.512 511 2HD2 ASN 66 2HD2 ASN 66 7.523 8.297 16.714 512 H LYS 67 H LYS 67 3.348 4.923 18.654 513 HA LYS 67 HA LYS 67 2.942 2.202 18.215 514 1HB LYS 67 1HB LYS 67 2.543 3.659 20.333 515 2HB LYS 67 2HB LYS 67 0.926 3.880 19.677 516 1HG LYS 67 1HG LYS 67 0.876 2.085 21.252 517 2HG LYS 67 2HG LYS 67 0.663 1.414 19.633 518 1HD LYS 67 1HD LYS 67 2.842 0.547 19.585 519 2HD LYS 67 2HD LYS 67 3.366 1.558 20.934 520 1HE LYS 67 1HE LYS 67 3.102 -0.717 21.690 521 2HE LYS 67 2HE LYS 67 1.857 0.292 22.423 522 1HZ LYS 67 1HZ LYS 67 1.304 -2.014 21.306 523 2HZ LYS 67 2HZ LYS 67 1.196 -1.056 19.917 524 3HZ LYS 67 3HZ LYS 67 0.216 -0.719 21.254 525 H ALA 68 H ALA 68 1.109 4.988 17.129 526 HA ALA 68 HA ALA 68 -1.226 3.685 16.290 527 1HB ALA 68 1HB ALA 68 -1.689 5.638 14.990 528 2HB ALA 68 2HB ALA 68 -0.922 6.151 16.494 529 3HB ALA 68 3HB ALA 68 0.011 6.109 14.998 530 H LYS 69 H LYS 69 1.825 4.300 14.602 531 HA LYS 69 HA LYS 69 0.934 3.128 12.142 532 1HB LYS 69 1HB LYS 69 3.513 4.202 13.192 533 2HB LYS 69 2HB LYS 69 3.561 3.144 11.788 534 1HG LYS 69 1HG LYS 69 3.418 5.187 10.778 535 2HG LYS 69 2HG LYS 69 1.708 4.763 10.888 536 1HD LYS 69 1HD LYS 69 1.643 6.039 13.057 537 2HD LYS 69 2HD LYS 69 3.272 6.610 12.685 538 1HE LYS 69 1HE LYS 69 2.538 7.795 10.794 539 2HE LYS 69 2HE LYS 69 0.994 6.944 10.755 540 1HZ LYS 69 1HZ LYS 69 0.759 9.198 11.602 541 2HZ LYS 69 2HZ LYS 69 1.846 8.866 12.854 542 3HZ LYS 69 3HZ LYS 69 0.357 8.064 12.792 543 H TRP 70 H TRP 70 3.064 2.092 14.787 544 HA TRP 70 HA TRP 70 3.972 -0.307 13.847 545 1HB TRP 70 1HB TRP 70 4.324 0.855 16.150 546 2HB TRP 70 2HB TRP 70 2.951 -0.120 16.666 547 HD1 TRP 70 HD TRP 70 6.549 -0.526 15.340 548 HE1 TRP 70 1HE TRP 70 7.428 -2.827 16.089 549 HE3 TRP 70 3HE TRP 70 2.272 -2.385 17.435 550 HZ2 TRP 70 2HZ TRP 70 6.438 -5.125 17.395 551 HZ3 TRP 70 3HZ TRP 70 2.322 -4.643 18.412 552 HH2 TRP 70 HH TRP 70 4.363 -5.983 18.391 553 H ASP 71 H ASP 71 0.825 0.326 15.354 554 HA ASP 71 HA ASP 71 -0.067 -2.370 15.232 555 1HB ASP 71 1HB ASP 71 -1.382 0.275 15.728 556 2HB ASP 71 2HB ASP 71 -2.380 -1.149 15.445 557 H ALA 72 H ALA 72 0.005 0.247 12.969 558 HA ALA 72 HA ALA 72 -1.993 -0.824 11.205 559 1HB ALA 72 1HB ALA 72 -1.924 1.289 10.528 560 2HB ALA 72 2HB ALA 72 -0.408 1.573 11.383 561 3HB ALA 72 3HB ALA 72 -0.387 0.928 9.742 562 H TRP 73 H TRP 73 1.560 -0.606 11.120 563 HA TRP 73 HA TRP 73 1.770 -2.169 8.732 564 1HB TRP 73 1HB TRP 73 3.458 -0.473 9.386 565 2HB TRP 73 2HB TRP 73 3.911 -1.482 10.757 566 HD1 TRP 73 HD TRP 73 3.235 -3.592 7.789 567 HE1 TRP 73 1HE TRP 73 5.443 -4.345 6.702 568 HE3 TRP 73 3HE TRP 73 6.453 -0.464 10.237 569 HZ2 TRP 73 2HZ TRP 73 8.186 -3.699 6.862 570 HZ3 TRP 73 3HZ TRP 73 8.853 -0.596 9.713 571 HH2 TRP 73 HH TRP 73 9.700 -2.181 8.060 572 H ASN 74 H ASN 74 2.077 -2.803 12.187 573 HA ASN 74 HA ASN 74 3.146 -5.374 12.085 574 1HB ASN 74 1HB ASN 74 2.988 -4.197 14.185 575 2HB ASN 74 2HB ASN 74 1.231 -4.139 14.073 576 1HD2 ASN 74 1HD2 ASN 74 1.237 -5.126 16.166 577 2HD2 ASN 74 2HD2 ASN 74 1.449 -6.834 16.316 578 H ALA 75 H ALA 75 -0.287 -4.432 12.312 579 HA ALA 75 HA ALA 75 -1.619 -6.738 12.340 580 1HB ALA 75 1HB ALA 75 -2.138 -4.142 11.229 581 2HB ALA 75 2HB ALA 75 -2.873 -5.394 10.226 582 3HB ALA 75 3HB ALA 75 -3.262 -5.299 11.944 583 H LEU 76 H LEU 76 -0.280 -5.380 9.327 584 HA LEU 76 HA LEU 76 -0.995 -7.230 7.491 585 1HB LEU 76 1HB LEU 76 1.572 -5.746 7.880 586 2HB LEU 76 2HB LEU 76 1.404 -6.891 6.551 587 HG LEU 76 HG LEU 76 1.003 -4.451 6.010 588 1HD1 LEU 76 1HD1 LEU 76 -1.464 -5.410 5.080 589 2HD1 LEU 76 2HD1 LEU 76 -0.400 -6.812 5.194 590 3HD1 LEU 76 3HD1 LEU 76 0.085 -5.412 4.237 591 1HD2 LEU 76 1HD2 LEU 76 -1.367 -3.716 6.505 592 2HD2 LEU 76 2HD2 LEU 76 -0.245 -3.694 7.866 593 3HD2 LEU 76 3HD2 LEU 76 -1.416 -5.004 7.709 594 H GLY 77 H GLY 77 1.819 -7.534 9.656 595 1HA GLY 77 1HA GLY 77 2.760 -9.440 10.563 596 2HA GLY 77 2HA GLY 77 1.474 -10.380 9.820 597 H SER 78 H SER 78 2.442 -11.954 8.711 598 HA SER 78 HA SER 78 4.937 -11.474 7.317 599 1HB SER 78 1HB SER 78 3.242 -13.978 7.488 600 2HB SER 78 2HB SER 78 4.868 -13.881 6.814 601 HG SER 78 HG SER 78 5.567 -13.189 8.913 602 H LEU 79 H LEU 79 2.748 -9.970 6.340 603 HA LEU 79 HA LEU 79 1.651 -11.198 4.005 604 1HB LEU 79 1HB LEU 79 0.666 -9.276 5.329 605 2HB LEU 79 2HB LEU 79 1.865 -8.248 4.548 606 HG LEU 79 HG LEU 79 -0.316 -8.064 3.470 607 1HD1 LEU 79 1HD1 LEU 79 0.543 -7.934 1.383 608 2HD1 LEU 79 2HD1 LEU 79 1.224 -9.559 1.440 609 3HD1 LEU 79 3HD1 LEU 79 2.055 -8.227 2.243 610 1HD2 LEU 79 1HD2 LEU 79 -0.313 -10.901 3.786 611 2HD2 LEU 79 2HD2 LEU 79 -0.490 -10.511 2.075 612 3HD2 LEU 79 3HD2 LEU 79 -1.621 -9.845 3.254 613 HA PRO 80 HA PRO 80 5.243 -10.680 1.442 614 1HB PRO 80 1HB PRO 80 4.078 -11.499 -0.869 615 2HB PRO 80 2HB PRO 80 4.582 -12.619 0.402 616 1HG PRO 80 1HG PRO 80 1.858 -11.527 -0.191 617 2HG PRO 80 2HG PRO 80 2.332 -13.182 0.232 618 1HD PRO 80 1HD PRO 80 1.264 -11.466 2.034 619 2HD PRO 80 2HD PRO 80 2.453 -12.706 2.484 620 H LYS 81 H LYS 81 6.017 -9.125 0.084 621 HA LYS 81 HA LYS 81 4.802 -6.668 -0.130 622 1HB LYS 81 1HB LYS 81 6.853 -7.919 -1.965 623 2HB LYS 81 2HB LYS 81 6.425 -6.213 -1.980 624 1HG LYS 81 1HG LYS 81 7.370 -5.836 0.121 625 2HG LYS 81 2HG LYS 81 7.402 -7.556 0.514 626 1HD LYS 81 1HD LYS 81 9.129 -7.933 -1.147 627 2HD LYS 81 2HD LYS 81 9.053 -6.241 -1.645 628 1HE LYS 81 1HE LYS 81 9.733 -5.591 0.651 629 2HE LYS 81 2HE LYS 81 9.919 -7.299 1.044 630 1HZ LYS 81 1HZ LYS 81 12.008 -6.127 0.401 631 2HZ LYS 81 2HZ LYS 81 11.386 -5.970 -1.163 632 3HZ LYS 81 3HZ LYS 81 11.670 -7.507 -0.517 633 H GLU 82 H GLU 82 4.831 -9.277 -2.541 634 HA GLU 82 HA GLU 82 3.608 -8.140 -4.673 635 1HB GLU 82 1HB GLU 82 3.116 -10.864 -3.474 636 2HB GLU 82 2HB GLU 82 2.469 -10.374 -5.033 637 1HG GLU 82 1HG GLU 82 4.711 -10.043 -5.890 638 2HG GLU 82 2HG GLU 82 5.391 -10.456 -4.317 639 H ALA 83 H ALA 83 1.837 -9.629 -1.958 640 HA ALA 83 HA ALA 83 -0.705 -8.716 -2.834 641 1HB ALA 83 1HB ALA 83 -1.329 -10.240 -1.351 642 2HB ALA 83 2HB ALA 83 0.320 -10.352 -0.734 643 3HB ALA 83 3HB ALA 83 -0.798 -9.172 -0.051 644 H ALA 84 H ALA 84 1.639 -7.501 -0.479 645 HA ALA 84 HA ALA 84 0.184 -5.512 0.744 646 1HB ALA 84 1HB ALA 84 2.932 -6.192 0.478 647 2HB ALA 84 2HB ALA 84 2.763 -4.450 0.255 648 3HB ALA 84 3HB ALA 84 2.151 -5.214 1.722 649 H ARG 85 H ARG 85 2.111 -5.196 -2.240 650 HA ARG 85 HA ARG 85 1.507 -2.528 -2.776 651 1HB ARG 85 1HB ARG 85 2.400 -4.848 -4.429 652 2HB ARG 85 2HB ARG 85 1.863 -3.391 -5.254 653 1HG ARG 85 1HG ARG 85 3.516 -2.154 -3.736 654 2HG ARG 85 2HG ARG 85 4.194 -3.751 -3.410 655 1HD ARG 85 1HD ARG 85 3.736 -2.959 -6.240 656 2HD ARG 85 2HD ARG 85 5.092 -2.231 -5.380 657 HE ARG 85 HE ARG 85 4.925 -4.898 -6.358 658 1HH1 ARG 85 2HH1 ARG 85 6.231 -2.950 -3.785 659 2HH1 ARG 85 1HH1 ARG 85 7.551 -4.026 -3.465 660 1HH2 ARG 85 2HH2 ARG 85 6.659 -6.322 -5.946 661 2HH2 ARG 85 1HH2 ARG 85 7.794 -5.943 -4.695 662 H GLN 86 H GLN 86 -0.250 -5.477 -3.557 663 HA GLN 86 HA GLN 86 -2.151 -4.296 -5.285 664 1HB GLN 86 1HB GLN 86 -1.580 -6.801 -4.883 665 2HB GLN 86 2HB GLN 86 -2.758 -6.692 -3.582 666 1HG GLN 86 1HG GLN 86 -3.200 -6.329 -6.525 667 2HG GLN 86 2HG GLN 86 -3.918 -7.523 -5.445 668 1HE2 GLN 86 1HE2 GLN 86 -4.698 -4.981 -7.192 669 2HE2 GLN 86 2HE2 GLN 86 -5.934 -4.266 -6.219 670 H ASN 87 H ASN 87 -2.132 -4.920 -1.802 671 HA ASN 87 HA ASN 87 -4.777 -4.135 -1.275 672 1HB ASN 87 1HB ASN 87 -2.290 -4.250 0.416 673 2HB ASN 87 2HB ASN 87 -3.814 -3.661 1.073 674 1HD2 ASN 87 1HD2 ASN 87 -1.939 -6.370 0.336 675 2HD2 ASN 87 2HD2 ASN 87 -3.113 -7.586 0.693 676 H TYR 88 H TYR 88 -1.741 -2.290 -1.075 677 HA TYR 88 HA TYR 88 -2.723 0.128 -0.195 678 1HB TYR 88 1HB TYR 88 -0.318 -0.410 -0.526 679 2HB TYR 88 2HB TYR 88 -0.547 -0.245 -2.263 680 HD1 TYR 88 1HD TYR 88 0.478 1.414 0.642 681 HD2 TYR 88 2HD TYR 88 -1.633 2.070 -2.994 682 HE1 TYR 88 1HE TYR 88 0.934 3.825 0.819 683 HE2 TYR 88 2HE TYR 88 -1.181 4.482 -2.828 684 HH TYR 88 HH TYR 88 0.931 5.790 -0.348 685 H VAL 89 H VAL 89 -2.294 -0.862 -3.594 686 HA VAL 89 HA VAL 89 -3.508 1.425 -4.707 687 HB VAL 89 HB VAL 89 -3.727 0.070 -6.776 688 1HG1 VAL 89 1HG1 VAL 89 -1.631 1.246 -6.174 689 2HG1 VAL 89 2HG1 VAL 89 -1.043 -0.245 -5.436 690 3HG1 VAL 89 3HG1 VAL 89 -1.364 -0.184 -7.170 691 1HG2 VAL 89 1HG2 VAL 89 -4.255 -2.084 -5.872 692 2HG2 VAL 89 2HG2 VAL 89 -2.733 -2.219 -6.753 693 3HG2 VAL 89 3HG2 VAL 89 -2.728 -2.145 -4.992 694 H ASP 90 H ASP 90 -4.794 -1.757 -3.843 695 HA ASP 90 HA ASP 90 -7.324 -1.592 -4.931 696 1HB ASP 90 1HB ASP 90 -6.301 -3.561 -3.719 697 2HB ASP 90 2HB ASP 90 -6.733 -2.761 -2.210 698 H LEU 91 H LEU 91 -6.023 0.041 -2.145 699 HA LEU 91 HA LEU 91 -8.579 0.893 -1.136 700 1HB LEU 91 1HB LEU 91 -6.629 0.566 0.327 701 2HB LEU 91 2HB LEU 91 -5.805 1.889 -0.496 702 HG LEU 91 HG LEU 91 -6.767 2.467 1.738 703 1HD1 LEU 91 1HD1 LEU 91 -8.155 4.102 -0.336 704 2HD1 LEU 91 2HD1 LEU 91 -6.394 4.036 -0.308 705 3HD1 LEU 91 3HD1 LEU 91 -7.276 4.619 1.103 706 1HD2 LEU 91 1HD2 LEU 91 -9.120 2.716 2.014 707 2HD2 LEU 91 2HD2 LEU 91 -8.827 1.074 1.439 708 3HD2 LEU 91 3HD2 LEU 91 -9.422 2.307 0.326 709 H VAL 92 H VAL 92 -5.802 2.673 -2.504 710 HA VAL 92 HA VAL 92 -6.879 5.158 -2.766 711 HB VAL 92 HB VAL 92 -5.199 3.847 -4.905 712 1HG1 VAL 92 1HG1 VAL 92 -4.962 5.864 -5.832 713 2HG1 VAL 92 2HG1 VAL 92 -6.350 6.350 -4.857 714 3HG1 VAL 92 3HG1 VAL 92 -4.712 6.643 -4.271 715 1HG2 VAL 92 1HG2 VAL 92 -3.395 5.153 -3.451 716 2HG2 VAL 92 2HG2 VAL 92 -4.547 4.785 -2.168 717 3HG2 VAL 92 3HG2 VAL 92 -3.839 3.479 -3.117 718 H SER 93 H SER 93 -7.439 2.380 -4.861 719 HA SER 93 HA SER 93 -8.894 3.784 -6.854 720 1HB SER 93 1HB SER 93 -7.833 1.549 -7.196 721 2HB SER 93 2HB SER 93 -9.067 0.844 -6.153 722 HG SER 93 HG SER 93 -10.626 1.715 -7.668 723 H SER 94 H SER 94 -9.751 2.314 -3.807 724 HA SER 94 HA SER 94 -12.546 2.184 -4.198 725 1HB SER 94 1HB SER 94 -11.053 1.129 -2.334 726 2HB SER 94 2HB SER 94 -11.324 2.656 -1.495 727 HG SER 94 HG SER 94 -13.001 0.552 -1.827 728 H LEU 95 H LEU 95 -10.452 4.664 -2.772 729 HA LEU 95 HA LEU 95 -12.444 6.430 -1.929 730 1HB LEU 95 1HB LEU 95 -9.632 6.941 -2.874 731 2HB LEU 95 2HB LEU 95 -10.662 8.183 -2.164 732 HG LEU 95 HG LEU 95 -9.952 5.655 -0.697 733 1HD1 LEU 95 1HD1 LEU 95 -7.941 6.423 -0.104 734 2HD1 LEU 95 2HD1 LEU 95 -8.524 8.077 0.080 735 3HD1 LEU 95 3HD1 LEU 95 -8.077 7.473 -1.515 736 1HD2 LEU 95 1HD2 LEU 95 -10.288 7.863 1.000 737 2HD2 LEU 95 2HD2 LEU 95 -11.372 6.487 0.792 738 3HD2 LEU 95 3HD2 LEU 95 -11.600 7.945 -0.176 739 H SER 96 H SER 96 -10.819 6.120 -5.054 740 HA SER 96 HA SER 96 -12.280 8.343 -6.184 741 1HB SER 96 1HB SER 96 -10.321 6.353 -7.332 742 2HB SER 96 2HB SER 96 -11.146 7.551 -8.329 743 HG SER 96 HG SER 96 -9.877 8.456 -6.020 744 HA PRO 97 HA PRO 97 -15.799 6.021 -7.477 745 1HB PRO 97 1HB PRO 97 -16.726 7.737 -9.365 746 2HB PRO 97 2HB PRO 97 -16.877 8.044 -7.631 747 1HG PRO 97 1HG PRO 97 -14.869 9.114 -9.576 748 2HG PRO 97 2HG PRO 97 -15.738 9.963 -8.284 749 1HD PRO 97 1HD PRO 97 -13.178 9.126 -8.010 750 2HD PRO 97 2HD PRO 97 -14.312 9.194 -6.646 751 H SER 98 H SER 98 -13.962 7.541 -10.137 752 HA SER 98 HA SER 98 -13.623 4.991 -11.441 753 1HB SER 98 1HB SER 98 -15.519 7.067 -12.494 754 2HB SER 98 2HB SER 98 -14.635 6.031 -13.616 755 HG SER 98 HG SER 98 -16.848 5.430 -12.461 756 H LEU 99 H LEU 99 -11.563 5.041 -12.019 757 HA LEU 99 HA LEU 99 -10.544 7.224 -13.618 758 1HB LEU 99 1HB LEU 99 -9.733 6.763 -10.803 759 2HB LEU 99 2HB LEU 99 -8.462 7.152 -11.960 760 HG LEU 99 HG LEU 99 -10.895 8.885 -11.623 761 1HD1 LEU 99 1HD1 LEU 99 -9.496 10.306 -10.159 762 2HD1 LEU 99 2HD1 LEU 99 -8.288 9.022 -10.116 763 3HD1 LEU 99 3HD1 LEU 99 -9.893 8.745 -9.440 764 1HD2 LEU 99 1HD2 LEU 99 -8.301 10.034 -12.338 765 2HD2 LEU 99 2HD2 LEU 99 -9.892 10.284 -13.057 766 3HD2 LEU 99 3HD2 LEU 99 -8.927 8.879 -13.514 767 H GLU 100 H GLU 100 -9.262 6.428 -15.152 768 HA GLU 100 HA GLU 100 -8.634 3.657 -15.246 769 1HB GLU 100 1HB GLU 100 -7.541 4.161 -17.357 770 2HB GLU 100 2HB GLU 100 -9.087 4.994 -17.265 771 1HG GLU 100 1HG GLU 100 -7.569 6.946 -16.333 772 2HG GLU 100 2HG GLU 100 -6.333 6.091 -17.255 773 H SER 101 H SER 101 -6.520 2.708 -15.408 774 HA SER 101 HA SER 101 -4.311 4.256 -14.283 775 1HB SER 101 1HB SER 101 -5.482 3.156 -12.374 776 2HB SER 101 2HB SER 101 -5.166 1.592 -13.126 777 HG SER 101 HG SER 101 -3.402 1.732 -11.967 778 H SER 102 H SER 102 -2.273 3.503 -14.836 779 HA SER 102 HA SER 102 -2.257 1.536 -17.011 780 1HB SER 102 1HB SER 102 -0.217 2.539 -17.758 781 2HB SER 102 2HB SER 102 -1.316 3.861 -17.363 782 HG SER 102 HG SER 102 1.064 3.137 -16.194 783 H SER 103 H SER 103 -1.625 -0.457 -16.565 784 HA SER 103 HA SER 103 0.419 -0.860 -14.483 785 1HB SER 103 1HB SER 103 -2.233 -2.182 -14.827 786 2HB SER 103 2HB SER 103 -0.887 -3.169 -14.256 787 HG SER 103 HG SER 103 -2.055 -0.899 -13.057 788 H GLN 104 H GLN 104 2.055 -2.223 -14.974 789 HA GLN 104 HA GLN 104 1.869 -3.730 -17.495 790 1HB GLN 104 1HB GLN 104 4.025 -1.881 -16.541 791 2HB GLN 104 2HB GLN 104 4.430 -3.223 -17.602 792 1HG GLN 104 1HG GLN 104 2.252 -1.301 -18.318 793 2HG GLN 104 2HG GLN 104 3.944 -0.924 -18.637 794 1HE2 GLN 104 1HE2 GLN 104 4.891 -1.754 -20.391 795 2HE2 GLN 104 2HE2 GLN 104 4.163 -2.896 -21.463 796 H VAL 105 H VAL 105 3.845 -5.307 -17.619 797 HA VAL 105 HA VAL 105 3.832 -6.814 -15.104 798 HB VAL 105 HB VAL 105 3.064 -7.980 -17.148 799 1HG1 VAL 105 1HG1 VAL 105 4.422 -8.390 -18.991 800 2HG1 VAL 105 2HG1 VAL 105 4.781 -6.709 -18.593 801 3HG1 VAL 105 3HG1 VAL 105 5.899 -7.988 -18.116 802 1HG2 VAL 105 1HG2 VAL 105 3.719 -9.615 -15.742 803 2HG2 VAL 105 2HG2 VAL 105 5.025 -9.824 -16.908 804 3HG2 VAL 105 3HG2 VAL 105 5.292 -8.876 -15.445 805 H GLU 106 H GLU 106 5.659 -7.314 -14.003 806 HA GLU 106 HA GLU 106 8.215 -6.379 -15.132 807 1HB GLU 106 1HB GLU 106 7.262 -6.161 -12.272 808 2HB GLU 106 2HB GLU 106 8.894 -5.790 -12.811 809 1HG GLU 106 1HG GLU 106 6.406 -4.397 -13.771 810 2HG GLU 106 2HG GLU 106 7.489 -3.792 -12.518 811 HA PRO 107 HA PRO 107 9.252 -10.663 -14.442 812 1HB PRO 107 1HB PRO 107 11.775 -10.486 -15.430 813 2HB PRO 107 2HB PRO 107 10.342 -10.568 -16.462 814 1HG PRO 107 1HG PRO 107 11.946 -8.180 -15.633 815 2HG PRO 107 2HG PRO 107 11.280 -8.582 -17.226 816 1HD PRO 107 1HD PRO 107 10.094 -6.810 -15.556 817 2HD PRO 107 2HD PRO 107 9.170 -7.837 -16.672 818 H GLY 108 H GLY 108 10.117 -11.675 -12.721 819 1HA GLY 108 1HA GLY 108 12.354 -11.633 -11.398 820 2HA GLY 108 2HA GLY 108 11.751 -10.064 -10.886 821 H THR 109 H THR 109 12.079 -13.122 -9.889 822 HA THR 109 HA THR 109 9.958 -12.832 -7.919 823 HB THR 109 HB THR 109 10.203 -15.389 -9.512 824 HG1 THR 109 1HG THR 109 8.421 -14.738 -10.616 825 1HG2 THR 109 1HG2 THR 109 7.910 -14.646 -7.741 826 2HG2 THR 109 2HG2 THR 109 9.384 -15.308 -7.032 827 3HG2 THR 109 3HG2 THR 109 8.481 -16.242 -8.225 828 H ASP 110 H ASP 110 10.572 -13.527 -5.954 829 HA ASP 110 HA ASP 110 12.992 -15.200 -5.785 830 1HB ASP 110 1HB ASP 110 13.328 -12.774 -5.153 831 2HB ASP 110 2HB ASP 110 12.231 -13.051 -3.804 832 H SER 111 H SER 111 13.201 -16.309 -3.632 833 HA SER 111 HA SER 111 10.555 -17.089 -2.598 834 1HB SER 111 1HB SER 111 11.168 -19.371 -2.553 835 2HB SER 111 2HB SER 111 11.726 -18.791 -4.123 836 HG SER 111 HG SER 111 13.329 -19.042 -1.792 837 H GLY 112 H GLY 112 10.378 -17.453 -0.405 838 1HA GLY 112 1HA GLY 112 12.804 -17.102 1.221 839 2HA GLY 112 2HA GLY 112 11.422 -16.054 1.504 840 HA PRO 113 HA PRO 113 10.259 -20.593 2.824 841 1HB PRO 113 1HB PRO 113 12.393 -22.164 3.413 842 2HB PRO 113 2HB PRO 113 11.652 -22.111 1.809 843 1HG PRO 113 1HG PRO 113 14.109 -20.723 2.808 844 2HG PRO 113 2HG PRO 113 13.842 -21.552 1.264 845 1HD PRO 113 1HD PRO 113 13.731 -18.857 1.509 846 2HD PRO 113 2HD PRO 113 12.732 -19.752 0.345 847 H SER 114 H SER 114 9.691 -19.236 4.608 848 HA SER 114 HA SER 114 9.886 -18.320 6.715 849 1HB SER 114 1HB SER 114 10.111 -20.042 8.418 850 2HB SER 114 2HB SER 114 9.183 -20.680 7.061 851 HG SER 114 HG SER 114 11.976 -21.047 7.246 852 H SER 115 H SER 115 12.122 -17.608 5.237 853 HA SER 115 HA SER 115 14.565 -18.229 6.541 854 1HB SER 115 1HB SER 115 15.502 -16.372 5.233 855 2HB SER 115 2HB SER 115 14.481 -17.397 4.225 856 HG SER 115 HG SER 115 13.410 -15.656 3.787 857 H GLY 116 H GLY 116 15.939 -16.615 7.658 858 1HA GLY 116 1HA GLY 116 16.315 -15.214 9.437 859 2HA GLY 116 2HA GLY 116 14.957 -14.276 8.834 Start of MODEL 14 1 1H GLY 1 H GLY 1 -21.385 -29.163 -4.041 2 1HA GLY 1 1HA GLY 1 -20.996 -28.518 -1.199 3 2HA GLY 1 2HA GLY 1 -20.905 -30.197 -1.711 4 H SER 2 H SER 2 -19.466 -27.002 -2.222 5 HA SER 2 HA SER 2 -16.866 -28.304 -2.556 6 1HB SER 2 1HB SER 2 -18.229 -26.539 -4.549 7 2HB SER 2 2HB SER 2 -16.477 -26.432 -4.381 8 HG SER 2 HG SER 2 -18.058 -28.598 -5.221 9 H SER 3 H SER 3 -15.133 -27.128 -1.804 10 HA SER 3 HA SER 3 -15.827 -24.670 -0.341 11 1HB SER 3 1HB SER 3 -15.081 -26.287 1.220 12 2HB SER 3 2HB SER 3 -13.761 -26.807 0.173 13 HG SER 3 HG SER 3 -12.587 -25.391 1.163 14 H GLY 4 H GLY 4 -15.220 -22.888 -1.375 15 1HA GLY 4 1HA GLY 4 -13.789 -21.341 -2.320 16 2HA GLY 4 2HA GLY 4 -12.486 -22.508 -2.154 17 H SER 5 H SER 5 -15.524 -22.274 -4.012 18 HA SER 5 HA SER 5 -14.240 -23.542 -6.283 19 1HB SER 5 1HB SER 5 -16.526 -24.197 -5.723 20 2HB SER 5 2HB SER 5 -17.070 -22.530 -5.910 21 HG SER 5 HG SER 5 -17.510 -23.603 -7.806 22 H SER 6 H SER 6 -13.325 -22.490 -7.912 23 HA SER 6 HA SER 6 -14.283 -19.873 -8.721 24 1HB SER 6 1HB SER 6 -12.152 -18.757 -8.512 25 2HB SER 6 2HB SER 6 -12.574 -19.437 -6.941 26 HG SER 6 HG SER 6 -10.791 -20.565 -8.841 27 H GLY 7 H GLY 7 -13.565 -19.242 -10.811 28 1HA GLY 7 1HA GLY 7 -11.804 -20.946 -12.323 29 2HA GLY 7 2HA GLY 7 -13.496 -21.150 -12.752 30 H MET 8 H MET 8 -13.055 -20.383 -14.863 31 HA MET 8 HA MET 8 -12.772 -18.830 -16.512 32 1HB MET 8 1HB MET 8 -14.911 -18.149 -15.155 33 2HB MET 8 2HB MET 8 -13.929 -16.776 -14.666 34 1HG MET 8 1HG MET 8 -13.634 -16.116 -16.968 35 2HG MET 8 2HG MET 8 -14.506 -17.545 -17.516 36 1HE MET 8 1HE MET 8 -14.958 -15.079 -18.614 37 2HE MET 8 2HE MET 8 -16.683 -15.373 -18.837 38 3HE MET 8 3HE MET 8 -16.138 -13.939 -17.965 39 H ASN 9 H ASN 9 -10.457 -19.159 -15.030 40 HA ASN 9 HA ASN 9 -9.419 -16.535 -14.360 41 1HB ASN 9 1HB ASN 9 -8.872 -18.769 -13.167 42 2HB ASN 9 2HB ASN 9 -7.777 -19.050 -14.518 43 1HD2 ASN 9 1HD2 ASN 9 -6.165 -17.363 -14.936 44 2HD2 ASN 9 2HD2 ASN 9 -5.492 -16.518 -13.588 45 H ARG 10 H ARG 10 -9.145 -15.299 -16.142 46 HA ARG 10 HA ARG 10 -7.366 -16.364 -18.234 47 1HB ARG 10 1HB ARG 10 -9.724 -16.128 -19.015 48 2HB ARG 10 2HB ARG 10 -9.629 -14.408 -18.664 49 1HG ARG 10 1HG ARG 10 -7.579 -15.591 -20.459 50 2HG ARG 10 2HG ARG 10 -9.212 -15.349 -21.084 51 1HD ARG 10 1HD ARG 10 -9.026 -12.969 -20.215 52 2HD ARG 10 2HD ARG 10 -7.307 -13.293 -19.997 53 HE ARG 10 HE ARG 10 -8.640 -12.737 -22.449 54 1HH1 ARG 10 2HH1 ARG 10 -6.015 -14.547 -21.052 55 2HH1 ARG 10 1HH1 ARG 10 -5.090 -14.586 -22.516 56 1HH2 ARG 10 2HH2 ARG 10 -7.432 -12.780 -24.383 57 2HH2 ARG 10 1HH2 ARG 10 -5.896 -13.580 -24.410 58 H THR 11 H THR 11 -8.432 -13.572 -16.382 59 HA THR 11 HA THR 11 -6.046 -12.099 -17.282 60 HB THR 11 HB THR 11 -7.158 -10.055 -16.542 61 HG1 THR 11 1HG THR 11 -9.127 -11.889 -15.663 62 1HG2 THR 11 1HG2 THR 11 -7.851 -10.079 -18.670 63 2HG2 THR 11 2HG2 THR 11 -9.399 -10.654 -18.051 64 3HG2 THR 11 3HG2 THR 11 -8.192 -11.808 -18.618 65 H ALA 12 H ALA 12 -4.549 -11.410 -15.837 66 HA ALA 12 HA ALA 12 -4.650 -12.557 -13.182 67 1HB ALA 12 1HB ALA 12 -2.426 -10.770 -14.004 68 2HB ALA 12 2HB ALA 12 -2.389 -12.290 -13.108 69 3HB ALA 12 3HB ALA 12 -2.614 -12.302 -14.857 70 H MET 13 H MET 13 -5.734 -11.518 -11.641 71 HA MET 13 HA MET 13 -6.167 -8.680 -11.718 72 1HB MET 13 1HB MET 13 -6.942 -10.888 -9.842 73 2HB MET 13 2HB MET 13 -7.155 -9.208 -9.366 74 1HG MET 13 1HG MET 13 -9.198 -9.606 -10.261 75 2HG MET 13 2HG MET 13 -8.353 -9.056 -11.705 76 1HE MET 13 1HE MET 13 -10.802 -11.175 -10.518 77 2HE MET 13 2HE MET 13 -10.679 -12.760 -11.281 78 3HE MET 13 3HE MET 13 -9.732 -12.401 -9.837 79 H ARG 14 H ARG 14 -3.763 -8.277 -11.745 80 HA ARG 14 HA ARG 14 -2.780 -8.044 -8.977 81 1HB ARG 14 1HB ARG 14 -1.393 -8.968 -11.450 82 2HB ARG 14 2HB ARG 14 -0.464 -8.044 -10.277 83 1HG ARG 14 1HG ARG 14 -2.079 -10.368 -9.346 84 2HG ARG 14 2HG ARG 14 -0.540 -10.648 -10.163 85 1HD ARG 14 1HD ARG 14 0.685 -9.707 -8.473 86 2HD ARG 14 2HD ARG 14 -0.627 -8.641 -7.972 87 HE ARG 14 HE ARG 14 -1.341 -10.264 -6.528 88 1HH1 ARG 14 2HH1 ARG 14 0.829 -11.686 -8.850 89 2HH1 ARG 14 1HH1 ARG 14 0.891 -13.220 -8.047 90 1HH2 ARG 14 2HH2 ARG 14 -1.268 -12.279 -5.462 91 2HH2 ARG 14 1HH2 ARG 14 -0.303 -13.556 -6.120 92 H ALA 15 H ALA 15 -1.072 -6.301 -8.774 93 HA ALA 15 HA ALA 15 -1.747 -4.009 -10.502 94 1HB ALA 15 1HB ALA 15 -2.319 -4.258 -7.796 95 2HB ALA 15 2HB ALA 15 -0.890 -3.224 -7.854 96 3HB ALA 15 3HB ALA 15 -2.341 -2.774 -8.750 97 H SER 16 H SER 16 -0.034 -3.503 -11.691 98 HA SER 16 HA SER 16 2.614 -4.294 -11.068 99 1HB SER 16 1HB SER 16 3.265 -3.112 -13.058 100 2HB SER 16 2HB SER 16 1.711 -3.879 -13.383 101 HG SER 16 HG SER 16 2.321 -1.329 -13.608 102 H GLN 17 H GLN 17 4.436 -2.584 -11.144 103 HA GLN 17 HA GLN 17 4.417 -1.134 -8.784 104 1HB GLN 17 1HB GLN 17 6.427 -1.821 -10.154 105 2HB GLN 17 2HB GLN 17 6.096 -0.443 -11.195 106 1HG GLN 17 1HG GLN 17 7.011 -0.479 -8.351 107 2HG GLN 17 2HG GLN 17 7.720 0.340 -9.742 108 1HE2 GLN 17 1HE2 GLN 17 5.550 0.560 -7.128 109 2HE2 GLN 17 2HE2 GLN 17 4.976 2.160 -7.433 110 H LYS 18 H LYS 18 3.908 0.046 -12.099 111 HA LYS 18 HA LYS 18 3.661 2.737 -11.659 112 1HB LYS 18 1HB LYS 18 2.444 0.845 -13.603 113 2HB LYS 18 2HB LYS 18 1.746 2.456 -13.506 114 1HG LYS 18 1HG LYS 18 4.693 2.027 -13.866 115 2HG LYS 18 2HG LYS 18 3.574 2.067 -15.231 116 1HD LYS 18 1HD LYS 18 3.497 4.276 -13.228 117 2HD LYS 18 2HD LYS 18 4.793 4.250 -14.426 118 1HE LYS 18 1HE LYS 18 3.130 4.164 -16.218 119 2HE LYS 18 2HE LYS 18 1.835 4.182 -15.021 120 1HZ LYS 18 1HZ LYS 18 3.174 6.361 -16.159 121 2HZ LYS 18 2HZ LYS 18 3.532 6.344 -14.506 122 3HZ LYS 18 3HZ LYS 18 1.921 6.379 -15.022 123 H ASP 19 H ASP 19 1.011 0.359 -11.496 124 HA ASP 19 HA ASP 19 -1.062 2.011 -10.781 125 1HB ASP 19 1HB ASP 19 -0.898 -0.615 -11.118 126 2HB ASP 19 2HB ASP 19 -0.828 -0.603 -9.358 127 H PHE 20 H PHE 20 1.368 0.554 -8.653 128 HA PHE 20 HA PHE 20 0.299 1.479 -6.223 129 1HB PHE 20 1HB PHE 20 2.028 -0.290 -6.403 130 2HB PHE 20 2HB PHE 20 3.199 0.932 -6.887 131 HD1 PHE 20 1HD PHE 20 4.159 2.439 -5.290 132 HD2 PHE 20 2HD PHE 20 1.190 -0.377 -4.116 133 HE1 PHE 20 1HE PHE 20 4.701 2.858 -2.926 134 HE2 PHE 20 2HE PHE 20 1.727 0.038 -1.751 135 HZ PHE 20 HZ PHE 20 3.483 1.658 -1.153 136 H GLU 21 H GLU 21 3.111 2.757 -8.014 137 HA GLU 21 HA GLU 21 3.535 5.040 -6.535 138 1HB GLU 21 1HB GLU 21 4.069 4.267 -9.357 139 2HB GLU 21 2HB GLU 21 4.225 5.969 -8.944 140 1HG GLU 21 1HG GLU 21 5.564 3.977 -7.198 141 2HG GLU 21 2HG GLU 21 6.260 4.304 -8.784 142 H ASN 22 H ASN 22 1.224 4.517 -9.148 143 HA ASN 22 HA ASN 22 0.375 7.214 -9.359 144 1HB ASN 22 1HB ASN 22 -0.904 4.602 -10.170 145 2HB ASN 22 2HB ASN 22 -1.652 6.165 -10.486 146 1HD2 ASN 22 1HD2 ASN 22 0.277 3.814 -11.741 147 2HD2 ASN 22 2HD2 ASN 22 1.065 4.723 -12.982 148 H SER 23 H SER 23 -0.901 4.412 -7.598 149 HA SER 23 HA SER 23 -3.192 5.639 -6.555 150 1HB SER 23 1HB SER 23 -1.501 3.383 -5.459 151 2HB SER 23 2HB SER 23 -3.064 3.853 -4.791 152 HG SER 23 HG SER 23 -2.475 2.723 -7.305 153 H MET 24 H MET 24 -0.149 4.970 -4.810 154 HA MET 24 HA MET 24 -0.620 6.369 -2.515 155 1HB MET 24 1HB MET 24 1.847 6.706 -2.372 156 2HB MET 24 2HB MET 24 1.380 5.056 -2.761 157 1HG MET 24 1HG MET 24 2.256 5.148 -4.849 158 2HG MET 24 2HG MET 24 1.936 6.871 -5.028 159 1HE MET 24 1HE MET 24 5.073 8.455 -4.738 160 2HE MET 24 2HE MET 24 4.859 7.276 -6.032 161 3HE MET 24 3HE MET 24 3.483 8.225 -5.467 162 H ASN 25 H ASN 25 0.329 7.657 -5.645 163 HA ASN 25 HA ASN 25 0.898 10.291 -4.788 164 1HB ASN 25 1HB ASN 25 1.533 9.227 -7.008 165 2HB ASN 25 2HB ASN 25 -0.127 9.514 -7.520 166 1HD2 ASN 25 1HD2 ASN 25 0.476 10.919 -9.143 167 2HD2 ASN 25 2HD2 ASN 25 1.070 12.510 -8.822 168 H GLN 26 H GLN 26 -2.033 8.815 -6.152 169 HA GLN 26 HA GLN 26 -3.652 11.041 -6.307 170 1HB GLN 26 1HB GLN 26 -4.365 8.197 -5.587 171 2HB GLN 26 2HB GLN 26 -5.559 9.441 -5.931 172 1HG GLN 26 1HG GLN 26 -4.564 9.721 -8.175 173 2HG GLN 26 2HG GLN 26 -3.468 8.386 -7.820 174 1HE2 GLN 26 1HE2 GLN 26 -6.465 9.265 -9.046 175 2HE2 GLN 26 2HE2 GLN 26 -7.169 7.692 -9.158 176 H VAL 27 H VAL 27 -2.981 8.997 -3.500 177 HA VAL 27 HA VAL 27 -4.817 10.169 -1.729 178 HB VAL 27 HB VAL 27 -2.176 8.821 -1.162 179 1HG1 VAL 27 1HG1 VAL 27 -3.395 8.478 1.127 180 2HG1 VAL 27 2HG1 VAL 27 -2.506 9.969 0.805 181 3HG1 VAL 27 3HG1 VAL 27 -4.264 9.938 0.653 182 1HG2 VAL 27 1HG2 VAL 27 -3.262 6.931 -1.584 183 2HG2 VAL 27 2HG2 VAL 27 -4.425 7.318 -0.315 184 3HG2 VAL 27 3HG2 VAL 27 -4.721 7.841 -1.973 185 H LYS 28 H LYS 28 -1.975 11.417 -3.094 186 HA LYS 28 HA LYS 28 -1.484 13.300 -0.925 187 1HB LYS 28 1HB LYS 28 -0.090 12.890 -3.576 188 2HB LYS 28 2HB LYS 28 0.394 14.075 -2.370 189 1HG LYS 28 1HG LYS 28 0.655 12.141 -0.764 190 2HG LYS 28 2HG LYS 28 0.479 11.080 -2.164 191 1HD LYS 28 1HD LYS 28 2.500 13.299 -2.129 192 2HD LYS 28 2HD LYS 28 2.854 11.723 -1.417 193 1HE LYS 28 1HE LYS 28 2.491 10.629 -3.523 194 2HE LYS 28 2HE LYS 28 1.919 12.127 -4.254 195 1HZ LYS 28 1HZ LYS 28 4.240 11.555 -4.825 196 2HZ LYS 28 2HZ LYS 28 4.665 11.735 -3.197 197 3HZ LYS 28 3HZ LYS 28 4.093 13.064 -4.074 198 H LEU 29 H LEU 29 -2.806 13.200 -4.169 199 HA LEU 29 HA LEU 29 -2.931 15.976 -4.635 200 1HB LEU 29 1HB LEU 29 -4.440 13.622 -5.712 201 2HB LEU 29 2HB LEU 29 -4.863 15.265 -6.188 202 HG LEU 29 HG LEU 29 -3.479 14.714 -7.908 203 1HD1 LEU 29 1HD1 LEU 29 -1.334 15.461 -5.941 204 2HD1 LEU 29 2HD1 LEU 29 -2.513 16.621 -6.553 205 3HD1 LEU 29 3HD1 LEU 29 -1.411 15.814 -7.668 206 1HD2 LEU 29 1HD2 LEU 29 -2.615 12.665 -7.827 207 2HD2 LEU 29 2HD2 LEU 29 -2.563 12.678 -6.064 208 3HD2 LEU 29 3HD2 LEU 29 -1.232 13.373 -6.992 209 H LEU 30 H LEU 30 -5.197 13.718 -3.131 210 HA LEU 30 HA LEU 30 -7.383 15.433 -2.860 211 1HB LEU 30 1HB LEU 30 -8.152 13.943 -1.121 212 2HB LEU 30 2HB LEU 30 -7.477 13.020 -2.462 213 HG LEU 30 HG LEU 30 -5.320 13.011 -0.970 214 1HD1 LEU 30 1HD1 LEU 30 -7.052 14.401 0.704 215 2HD1 LEU 30 2HD1 LEU 30 -5.495 13.695 1.135 216 3HD1 LEU 30 3HD1 LEU 30 -6.978 12.773 1.379 217 1HD2 LEU 30 1HD2 LEU 30 -6.830 11.096 -1.686 218 2HD2 LEU 30 2HD2 LEU 30 -7.628 11.281 -0.124 219 3HD2 LEU 30 3HD2 LEU 30 -5.913 10.871 -0.195 220 H LYS 31 H LYS 31 -7.663 17.229 -1.728 221 HA LYS 31 HA LYS 31 -5.745 17.881 0.391 222 1HB LYS 31 1HB LYS 31 -6.377 19.411 -1.654 223 2HB LYS 31 2HB LYS 31 -7.764 19.827 -0.656 224 1HG LYS 31 1HG LYS 31 -6.272 21.470 -0.082 225 2HG LYS 31 2HG LYS 31 -5.968 20.270 1.176 226 1HD LYS 31 1HD LYS 31 -4.387 20.149 -1.350 227 2HD LYS 31 2HD LYS 31 -3.982 21.375 -0.146 228 1HE LYS 31 1HE LYS 31 -4.053 19.362 1.511 229 2HE LYS 31 2HE LYS 31 -3.839 18.396 0.052 230 1HZ LYS 31 1HZ LYS 31 -2.047 20.635 0.806 231 2HZ LYS 31 2HZ LYS 31 -1.802 19.489 -0.413 232 3HZ LYS 31 3HZ LYS 31 -1.743 19.021 1.212 233 H LYS 32 H LYS 32 -8.105 16.054 0.645 234 HA LYS 32 HA LYS 32 -9.379 17.439 2.910 235 1HB LYS 32 1HB LYS 32 -10.628 15.828 0.717 236 2HB LYS 32 2HB LYS 32 -11.365 15.829 2.314 237 1HG LYS 32 1HG LYS 32 -11.181 18.427 2.066 238 2HG LYS 32 2HG LYS 32 -11.102 18.045 0.344 239 1HD LYS 32 1HD LYS 32 -13.377 18.337 0.703 240 2HD LYS 32 2HD LYS 32 -13.187 16.586 0.818 241 1HE LYS 32 1HE LYS 32 -13.039 18.329 3.253 242 2HE LYS 32 2HE LYS 32 -14.591 17.798 2.608 243 1HZ LYS 32 1HZ LYS 32 -13.456 15.476 2.696 244 2HZ LYS 32 2HZ LYS 32 -14.125 16.144 4.098 245 3HZ LYS 32 3HZ LYS 32 -12.454 16.210 3.845 246 H ASP 33 H ASP 33 -8.243 16.513 4.544 247 HA ASP 33 HA ASP 33 -7.252 13.944 4.712 248 1HB ASP 33 1HB ASP 33 -7.050 14.284 7.067 249 2HB ASP 33 2HB ASP 33 -6.818 15.854 6.304 250 HA PRO 34 HA PRO 34 -11.100 11.657 4.766 251 1HB PRO 34 1HB PRO 34 -9.930 9.208 4.706 252 2HB PRO 34 2HB PRO 34 -10.106 10.224 3.270 253 1HG PRO 34 1HG PRO 34 -7.717 9.832 5.032 254 2HG PRO 34 2HG PRO 34 -7.802 9.907 3.262 255 1HD PRO 34 1HD PRO 34 -7.017 12.012 4.773 256 2HD PRO 34 2HD PRO 34 -7.886 12.210 3.238 257 H GLY 35 H GLY 35 -8.310 10.589 6.727 258 1HA GLY 35 1HA GLY 35 -9.272 10.941 9.230 259 2HA GLY 35 2HA GLY 35 -10.050 9.445 8.732 260 H ASN 36 H ASN 36 -7.834 10.262 10.717 261 HA ASN 36 HA ASN 36 -5.372 9.270 10.053 262 1HB ASN 36 1HB ASN 36 -6.917 9.202 12.631 263 2HB ASN 36 2HB ASN 36 -5.309 8.491 12.529 264 1HD2 ASN 36 1HD2 ASN 36 -3.594 9.774 12.720 265 2HD2 ASN 36 2HD2 ASN 36 -3.643 11.500 12.767 266 H GLU 37 H GLU 37 -8.317 7.527 10.365 267 HA GLU 37 HA GLU 37 -7.337 4.961 10.960 268 1HB GLU 37 1HB GLU 37 -9.696 5.432 11.122 269 2HB GLU 37 2HB GLU 37 -9.780 5.833 9.412 270 1HG GLU 37 1HG GLU 37 -10.629 3.723 9.377 271 2HG GLU 37 2HG GLU 37 -8.920 3.374 9.118 272 H VAL 38 H VAL 38 -8.017 6.512 7.832 273 HA VAL 38 HA VAL 38 -6.985 4.283 6.337 274 HB VAL 38 HB VAL 38 -8.725 5.547 5.299 275 1HG1 VAL 38 1HG1 VAL 38 -6.939 7.936 5.720 276 2HG1 VAL 38 2HG1 VAL 38 -8.362 7.947 4.676 277 3HG1 VAL 38 3HG1 VAL 38 -8.538 7.650 6.406 278 1HG2 VAL 38 1HG2 VAL 38 -6.812 4.692 3.891 279 2HG2 VAL 38 2HG2 VAL 38 -7.786 5.972 3.165 280 3HG2 VAL 38 3HG2 VAL 38 -6.208 6.349 3.857 281 H LYS 39 H LYS 39 -5.851 7.515 7.215 282 HA LYS 39 HA LYS 39 -3.562 7.690 5.688 283 1HB LYS 39 1HB LYS 39 -4.398 8.783 8.323 284 2HB LYS 39 2HB LYS 39 -2.691 8.894 7.914 285 1HG LYS 39 1HG LYS 39 -3.445 10.885 7.097 286 2HG LYS 39 2HG LYS 39 -3.619 9.870 5.663 287 1HD LYS 39 1HD LYS 39 -5.687 10.829 5.681 288 2HD LYS 39 2HD LYS 39 -6.015 9.442 6.722 289 1HE LYS 39 1HE LYS 39 -6.897 11.563 7.632 290 2HE LYS 39 2HE LYS 39 -5.717 10.797 8.695 291 1HZ LYS 39 1HZ LYS 39 -4.209 12.435 8.358 292 2HZ LYS 39 2HZ LYS 39 -5.609 13.348 8.100 293 3HZ LYS 39 3HZ LYS 39 -4.724 12.767 6.781 294 H LEU 40 H LEU 40 -4.249 5.514 8.233 295 HA LEU 40 HA LEU 40 -1.431 4.892 8.687 296 1HB LEU 40 1HB LEU 40 -3.983 4.016 10.005 297 2HB LEU 40 2HB LEU 40 -2.442 3.226 10.334 298 HG LEU 40 HG LEU 40 -2.761 6.182 10.717 299 1HD1 LEU 40 1HD1 LEU 40 -3.875 3.994 12.370 300 2HD1 LEU 40 2HD1 LEU 40 -4.429 5.655 12.158 301 3HD1 LEU 40 3HD1 LEU 40 -3.060 5.311 13.214 302 1HD2 LEU 40 1HD2 LEU 40 -0.667 6.025 11.429 303 2HD2 LEU 40 2HD2 LEU 40 -0.668 4.310 11.017 304 3HD2 LEU 40 3HD2 LEU 40 -1.142 4.829 12.635 305 H LYS 41 H LYS 41 -4.403 3.375 7.504 306 HA LYS 41 HA LYS 41 -3.384 0.821 7.006 307 1HB LYS 41 1HB LYS 41 -5.369 0.394 5.943 308 2HB LYS 41 2HB LYS 41 -5.823 1.834 6.844 309 1HG LYS 41 1HG LYS 41 -5.311 3.181 4.812 310 2HG LYS 41 2HG LYS 41 -5.066 1.668 3.937 311 1HD LYS 41 1HD LYS 41 -7.610 2.352 5.401 312 2HD LYS 41 2HD LYS 41 -7.348 2.696 3.689 313 1HE LYS 41 1HE LYS 41 -7.270 0.435 3.125 314 2HE LYS 41 2HE LYS 41 -6.946 -0.064 4.785 315 1HZ LYS 41 1HZ LYS 41 -9.128 0.065 5.349 316 2HZ LYS 41 2HZ LYS 41 -9.317 -0.308 3.711 317 3HZ LYS 41 3HZ LYS 41 -9.479 1.291 4.238 318 H LEU 42 H LEU 42 -3.154 3.787 5.167 319 HA LEU 42 HA LEU 42 -2.212 2.582 2.759 320 1HB LEU 42 1HB LEU 42 -2.446 5.338 3.834 321 2HB LEU 42 2HB LEU 42 -1.314 5.073 2.509 322 HG LEU 42 HG LEU 42 -3.475 5.871 1.703 323 1HD1 LEU 42 1HD1 LEU 42 -3.835 4.202 -0.004 324 2HD1 LEU 42 2HD1 LEU 42 -3.000 2.988 0.964 325 3HD1 LEU 42 3HD1 LEU 42 -2.108 4.363 0.314 326 1HD2 LEU 42 1HD2 LEU 42 -4.639 3.293 2.736 327 2HD2 LEU 42 2HD2 LEU 42 -5.490 4.628 1.958 328 3HD2 LEU 42 3HD2 LEU 42 -4.798 4.840 3.567 329 H TYR 43 H TYR 43 -0.717 3.730 5.695 330 HA TYR 43 HA TYR 43 1.959 3.647 4.616 331 1HB TYR 43 1HB TYR 43 1.971 5.198 6.285 332 2HB TYR 43 2HB TYR 43 0.705 4.384 7.197 333 HD1 TYR 43 1HD TYR 43 4.311 4.601 6.591 334 HD2 TYR 43 2HD TYR 43 1.249 2.661 8.818 335 HE1 TYR 43 1HE TYR 43 6.006 3.713 8.137 336 HE2 TYR 43 2HE TYR 43 2.935 1.769 10.370 337 HH TYR 43 HH TYR 43 5.880 2.906 10.740 338 H ALA 44 H ALA 44 -0.154 1.564 6.469 339 HA ALA 44 HA ALA 44 1.704 -0.262 7.468 340 1HB ALA 44 1HB ALA 44 -0.265 -1.892 7.331 341 2HB ALA 44 2HB ALA 44 -0.470 -0.439 8.309 342 3HB ALA 44 3HB ALA 44 -1.184 -0.526 6.699 343 H LEU 45 H LEU 45 0.046 -0.167 4.338 344 HA LEU 45 HA LEU 45 1.194 -2.614 3.408 345 1HB LEU 45 1HB LEU 45 -0.335 -0.383 2.122 346 2HB LEU 45 2HB LEU 45 0.400 -1.652 1.144 347 HG LEU 45 HG LEU 45 -1.811 -2.337 1.393 348 1HD1 LEU 45 1HD1 LEU 45 -0.053 -4.037 2.051 349 2HD1 LEU 45 2HD1 LEU 45 -1.700 -4.362 2.591 350 3HD1 LEU 45 3HD1 LEU 45 -0.512 -3.720 3.724 351 1HD2 LEU 45 1HD2 LEU 45 -1.596 -1.531 4.290 352 2HD2 LEU 45 2HD2 LEU 45 -2.980 -2.363 3.582 353 3HD2 LEU 45 3HD2 LEU 45 -2.549 -0.742 3.033 354 H TYR 46 H TYR 46 1.853 0.822 2.811 355 HA TYR 46 HA TYR 46 3.796 0.684 0.897 356 1HB TYR 46 1HB TYR 46 3.112 2.833 1.610 357 2HB TYR 46 2HB TYR 46 3.538 2.503 3.285 358 HD1 TYR 46 1HD TYR 46 5.201 2.598 -0.066 359 HD2 TYR 46 2HD TYR 46 5.458 3.491 4.086 360 HE1 TYR 46 1HE TYR 46 7.403 3.631 -0.431 361 HE2 TYR 46 2HE TYR 46 7.661 4.527 3.733 362 HH TYR 46 HH TYR 46 9.566 4.219 1.901 363 H LYS 47 H LYS 47 4.460 0.691 4.404 364 HA LYS 47 HA LYS 47 7.189 0.065 4.168 365 1HB LYS 47 1HB LYS 47 5.265 -0.381 6.456 366 2HB LYS 47 2HB LYS 47 7.007 -0.588 6.579 367 1HG LYS 47 1HG LYS 47 5.736 1.998 5.729 368 2HG LYS 47 2HG LYS 47 6.073 1.600 7.415 369 1HD LYS 47 1HD LYS 47 8.240 1.377 5.367 370 2HD LYS 47 2HD LYS 47 7.812 2.957 6.027 371 1HE LYS 47 1HE LYS 47 8.283 0.692 7.905 372 2HE LYS 47 2HE LYS 47 9.673 1.464 7.144 373 1HZ LYS 47 1HZ LYS 47 9.494 2.820 8.914 374 2HZ LYS 47 2HZ LYS 47 7.852 2.498 9.157 375 3HZ LYS 47 3HZ LYS 47 8.329 3.598 7.964 376 H GLN 48 H GLN 48 4.417 -1.864 3.757 377 HA GLN 48 HA GLN 48 5.726 -4.367 4.405 378 1HB GLN 48 1HB GLN 48 3.239 -3.860 4.732 379 2HB GLN 48 2HB GLN 48 3.086 -4.046 2.990 380 1HG GLN 48 1HG GLN 48 2.554 -6.150 3.672 381 2HG GLN 48 2HG GLN 48 4.294 -6.327 3.445 382 1HE2 GLN 48 1HE2 GLN 48 4.039 -8.146 4.899 383 2HE2 GLN 48 2HE2 GLN 48 4.042 -7.872 6.605 384 H ALA 49 H ALA 49 4.825 -2.520 1.553 385 HA ALA 49 HA ALA 49 5.831 -4.614 -0.214 386 1HB ALA 49 1HB ALA 49 4.020 -3.827 -1.301 387 2HB ALA 49 2HB ALA 49 4.110 -2.243 -0.529 388 3HB ALA 49 3HB ALA 49 5.162 -2.620 -1.894 389 H THR 50 H THR 50 7.397 -2.641 1.627 390 HA THR 50 HA THR 50 9.425 -2.002 -0.402 391 HB THR 50 HB THR 50 9.962 0.098 0.789 392 HG1 THR 50 1HG THR 50 7.663 -0.624 2.301 393 1HG2 THR 50 1HG2 THR 50 7.372 0.978 0.301 394 2HG2 THR 50 2HG2 THR 50 7.559 -0.427 -0.748 395 3HG2 THR 50 3HG2 THR 50 8.696 0.916 -0.861 396 H GLU 51 H GLU 51 8.684 -2.562 3.006 397 HA GLU 51 HA GLU 51 11.499 -3.311 3.437 398 1HB GLU 51 1HB GLU 51 9.508 -2.673 5.607 399 2HB GLU 51 2HB GLU 51 11.260 -2.756 5.732 400 1HG GLU 51 1HG GLU 51 9.938 -0.734 3.968 401 2HG GLU 51 2HG GLU 51 10.128 -0.453 5.698 402 H GLY 52 H GLY 52 8.152 -4.296 3.859 403 1HA GLY 52 1HA GLY 52 7.662 -6.669 3.538 404 2HA GLY 52 2HA GLY 52 9.124 -7.023 4.446 405 HA PRO 53 HA PRO 53 5.796 -7.580 7.497 406 1HB PRO 53 1HB PRO 53 7.189 -9.366 8.994 407 2HB PRO 53 2HB PRO 53 6.289 -9.823 7.543 408 1HG PRO 53 1HG PRO 53 9.220 -9.307 7.871 409 2HG PRO 53 2HG PRO 53 8.405 -10.599 6.970 410 1HD PRO 53 1HD PRO 53 9.419 -8.397 5.763 411 2HD PRO 53 2HD PRO 53 7.977 -9.238 5.159 412 H CYS 54 H CYS 54 5.533 -6.542 9.405 413 HA CYS 54 HA CYS 54 7.177 -4.541 10.269 414 1HB CYS 54 1HB CYS 54 4.955 -4.617 11.106 415 2HB CYS 54 2HB CYS 54 5.194 -6.214 11.805 416 HG CYS 54 HG CYS 54 7.143 -5.143 13.673 417 H ASN 55 H ASN 55 9.295 -4.790 10.650 418 HA ASN 55 HA ASN 55 10.104 -6.868 12.578 419 1HB ASN 55 1HB ASN 55 12.185 -7.112 11.454 420 2HB ASN 55 2HB ASN 55 10.951 -7.130 10.198 421 1HD2 ASN 55 1HD2 ASN 55 11.145 -5.761 8.562 422 2HD2 ASN 55 2HD2 ASN 55 12.249 -4.434 8.492 423 H MET 56 H MET 56 9.311 -3.889 12.745 424 HA MET 56 HA MET 56 11.752 -2.762 13.877 425 1HB MET 56 1HB MET 56 10.168 -0.751 14.238 426 2HB MET 56 2HB MET 56 10.654 -1.153 12.596 427 1HG MET 56 1HG MET 56 8.551 -2.223 12.174 428 2HG MET 56 2HG MET 56 8.069 -2.030 13.858 429 1HE MET 56 1HE MET 56 8.595 0.411 14.893 430 2HE MET 56 2HE MET 56 9.518 1.378 13.743 431 3HE MET 56 3HE MET 56 7.871 1.848 14.169 432 HA PRO 57 HA PRO 57 10.758 -3.576 18.074 433 1HB PRO 57 1HB PRO 57 11.756 -1.367 19.296 434 2HB PRO 57 2HB PRO 57 12.783 -2.634 18.614 435 1HG PRO 57 1HG PRO 57 12.010 0.012 17.446 436 2HG PRO 57 2HG PRO 57 13.593 -0.787 17.456 437 1HD PRO 57 1HD PRO 57 11.961 -0.814 15.295 438 2HD PRO 57 2HD PRO 57 13.051 -2.160 15.685 439 H LYS 58 H LYS 58 8.976 -3.400 19.287 440 HA LYS 58 HA LYS 58 6.854 -1.711 18.648 441 1HB LYS 58 1HB LYS 58 6.754 -3.873 19.951 442 2HB LYS 58 2HB LYS 58 7.317 -2.972 21.352 443 1HG LYS 58 1HG LYS 58 5.336 -1.868 21.616 444 2HG LYS 58 2HG LYS 58 4.923 -1.972 19.903 445 1HD LYS 58 1HD LYS 58 4.543 -4.408 20.196 446 2HD LYS 58 2HD LYS 58 4.832 -4.209 21.926 447 1HE LYS 58 1HE LYS 58 2.972 -2.373 21.705 448 2HE LYS 58 2HE LYS 58 2.537 -3.282 20.258 449 1HZ LYS 58 1HZ LYS 58 2.767 -4.440 22.983 450 2HZ LYS 58 2HZ LYS 58 2.260 -5.252 21.589 451 3HZ LYS 58 3HZ LYS 58 1.312 -4.009 22.235 452 HA PRO 59 HA PRO 59 8.283 2.093 20.460 453 1HB PRO 59 1HB PRO 59 6.031 3.519 19.946 454 2HB PRO 59 2HB PRO 59 7.232 3.140 18.706 455 1HG PRO 59 1HG PRO 59 4.624 1.792 19.293 456 2HG PRO 59 2HG PRO 59 5.333 2.223 17.726 457 1HD PRO 59 1HD PRO 59 5.434 -0.291 18.729 458 2HD PRO 59 2HD PRO 59 6.719 0.381 17.704 459 H GLY 60 H GLY 60 7.467 3.654 22.107 460 1HA GLY 60 1HA GLY 60 6.285 2.189 24.307 461 2HA GLY 60 2HA GLY 60 6.951 3.814 24.370 462 H VAL 61 H VAL 61 4.480 2.883 25.533 463 HA VAL 61 HA VAL 61 2.194 3.483 24.086 464 HB VAL 61 HB VAL 61 1.322 4.260 26.440 465 1HG1 VAL 61 1HG1 VAL 61 1.902 1.628 25.295 466 2HG1 VAL 61 2HG1 VAL 61 1.643 1.621 27.041 467 3HG1 VAL 61 3HG1 VAL 61 0.403 2.269 25.967 468 1HG2 VAL 61 1HG2 VAL 61 2.628 3.889 28.268 469 2HG2 VAL 61 2HG2 VAL 61 3.559 2.613 27.483 470 3HG2 VAL 61 3HG2 VAL 61 3.893 4.304 27.112 471 H PHE 62 H PHE 62 4.404 5.637 25.786 472 HA PHE 62 HA PHE 62 2.867 7.980 25.651 473 1HB PHE 62 1HB PHE 62 5.869 7.984 25.459 474 2HB PHE 62 2HB PHE 62 4.817 9.141 26.268 475 HD1 PHE 62 1HD PHE 62 7.298 7.460 27.258 476 HD2 PHE 62 2HD PHE 62 3.080 7.112 27.711 477 HE1 PHE 62 1HE PHE 62 7.628 6.265 29.384 478 HE2 PHE 62 2HE PHE 62 3.403 5.918 29.838 479 HZ PHE 62 HZ PHE 62 5.679 5.494 30.677 480 H ASP 63 H ASP 63 4.433 6.212 23.206 481 HA ASP 63 HA ASP 63 4.477 8.515 21.387 482 1HB ASP 63 1HB ASP 63 5.880 5.883 21.446 483 2HB ASP 63 2HB ASP 63 5.566 6.620 19.877 484 H LEU 64 H LEU 64 2.109 8.488 21.340 485 HA LEU 64 HA LEU 64 0.608 6.323 20.367 486 1HB LEU 64 1HB LEU 64 -0.087 9.209 19.912 487 2HB LEU 64 2HB LEU 64 -1.180 7.840 20.110 488 HG LEU 64 HG LEU 64 0.545 9.012 22.291 489 1HD1 LEU 64 1HD1 LEU 64 -1.002 10.616 22.351 490 2HD1 LEU 64 2HD1 LEU 64 -2.089 9.377 22.978 491 3HD1 LEU 64 3HD1 LEU 64 -2.074 9.745 21.253 492 1HD2 LEU 64 1HD2 LEU 64 -0.262 7.429 23.706 493 2HD2 LEU 64 2HD2 LEU 64 -0.301 6.492 22.212 494 3HD2 LEU 64 3HD2 LEU 64 -1.776 7.246 22.820 495 H ILE 65 H ILE 65 2.337 8.907 18.731 496 HA ILE 65 HA ILE 65 1.294 8.594 16.158 497 HB ILE 65 HB ILE 65 4.084 9.419 16.968 498 1HG1 ILE 65 1HG1 ILE 65 2.916 11.700 16.230 499 2HG1 ILE 65 2HG1 ILE 65 1.470 10.830 16.732 500 1HG2 ILE 65 1HG2 ILE 65 3.470 10.653 14.576 501 2HG2 ILE 65 2HG2 ILE 65 4.553 9.279 14.794 502 3HG2 ILE 65 3HG2 ILE 65 2.863 9.011 14.366 503 1HD1 ILE 65 1HD1 ILE 65 1.975 11.009 18.901 504 2HD1 ILE 65 2HD1 ILE 65 3.690 10.697 18.634 505 3HD1 ILE 65 3HD1 ILE 65 3.036 12.312 18.367 506 H ASN 66 H ASN 66 4.313 7.225 17.484 507 HA ASN 66 HA ASN 66 4.806 5.561 15.248 508 1HB ASN 66 1HB ASN 66 5.842 5.477 18.086 509 2HB ASN 66 2HB ASN 66 6.418 4.406 16.812 510 1HD2 ASN 66 1HD2 ASN 66 6.114 7.774 17.769 511 2HD2 ASN 66 2HD2 ASN 66 7.454 8.349 16.844 512 H LYS 67 H LYS 67 3.375 4.936 18.434 513 HA LYS 67 HA LYS 67 3.003 2.185 18.181 514 1HB LYS 67 1HB LYS 67 2.657 3.705 20.229 515 2HB LYS 67 2HB LYS 67 1.041 3.980 19.591 516 1HG LYS 67 1HG LYS 67 0.852 2.260 21.194 517 2HG LYS 67 2HG LYS 67 0.723 1.486 19.612 518 1HD LYS 67 1HD LYS 67 2.795 0.490 19.782 519 2HD LYS 67 2HD LYS 67 3.397 1.695 20.923 520 1HE LYS 67 1HE LYS 67 3.069 -0.406 22.065 521 2HE LYS 67 2HE LYS 67 1.891 0.770 22.645 522 1HZ LYS 67 1HZ LYS 67 0.971 -1.477 22.199 523 2HZ LYS 67 2HZ LYS 67 1.304 -1.254 20.556 524 3HZ LYS 67 3HZ LYS 67 0.198 -0.241 21.340 525 H ALA 68 H ALA 68 0.907 4.867 17.203 526 HA ALA 68 HA ALA 68 -1.327 3.411 16.409 527 1HB ALA 68 1HB ALA 68 -1.801 5.340 14.903 528 2HB ALA 68 2HB ALA 68 -1.439 5.796 16.568 529 3HB ALA 68 3HB ALA 68 -0.213 5.988 15.315 530 H LYS 69 H LYS 69 1.578 4.273 14.566 531 HA LYS 69 HA LYS 69 0.690 3.046 12.149 532 1HB LYS 69 1HB LYS 69 3.218 4.265 13.135 533 2HB LYS 69 2HB LYS 69 3.334 3.163 11.769 534 1HG LYS 69 1HG LYS 69 2.224 4.566 10.361 535 2HG LYS 69 2HG LYS 69 1.275 5.297 11.658 536 1HD LYS 69 1HD LYS 69 3.319 6.452 12.446 537 2HD LYS 69 2HD LYS 69 4.195 5.783 11.067 538 1HE LYS 69 1HE LYS 69 2.972 7.051 9.529 539 2HE LYS 69 2HE LYS 69 1.689 7.389 10.691 540 1HZ LYS 69 1HZ LYS 69 2.883 9.040 11.673 541 2HZ LYS 69 2HZ LYS 69 3.498 9.173 10.103 542 3HZ LYS 69 3HZ LYS 69 4.385 8.360 11.292 543 H TRP 70 H TRP 70 3.011 2.089 14.669 544 HA TRP 70 HA TRP 70 3.955 -0.267 13.688 545 1HB TRP 70 1HB TRP 70 4.429 0.855 15.949 546 2HB TRP 70 2HB TRP 70 3.045 -0.052 16.552 547 HD1 TRP 70 HD TRP 70 6.575 -0.618 15.117 548 HE1 TRP 70 1HE TRP 70 7.392 -2.937 15.876 549 HE3 TRP 70 3HE TRP 70 2.297 -2.291 17.362 550 HZ2 TRP 70 2HZ TRP 70 6.360 -5.180 17.245 551 HZ3 TRP 70 3HZ TRP 70 2.295 -4.535 18.372 552 HH2 TRP 70 HH TRP 70 4.285 -5.948 18.313 553 H ASP 71 H ASP 71 0.833 0.249 15.273 554 HA ASP 71 HA ASP 71 0.049 -2.485 15.209 555 1HB ASP 71 1HB ASP 71 -1.341 0.113 15.730 556 2HB ASP 71 2HB ASP 71 -2.308 -1.333 15.452 557 H ALA 72 H ALA 72 -0.078 0.125 12.929 558 HA ALA 72 HA ALA 72 -2.053 -1.076 11.223 559 1HB ALA 72 1HB ALA 72 -1.483 0.711 9.655 560 2HB ALA 72 2HB ALA 72 -1.761 1.343 11.278 561 3HB ALA 72 3HB ALA 72 -0.115 1.168 10.672 562 H TRP 73 H TRP 73 1.480 -0.730 11.144 563 HA TRP 73 HA TRP 73 1.729 -2.251 8.717 564 1HB TRP 73 1HB TRP 73 3.347 -0.494 9.242 565 2HB TRP 73 2HB TRP 73 3.822 -1.349 10.707 566 HD1 TRP 73 HD TRP 73 3.310 -3.507 7.653 567 HE1 TRP 73 1HE TRP 73 5.594 -4.317 6.788 568 HE3 TRP 73 3HE TRP 73 6.355 -0.573 10.527 569 HZ2 TRP 73 2HZ TRP 73 8.326 -3.784 7.261 570 HZ3 TRP 73 3HZ TRP 73 8.792 -0.785 10.260 571 HH2 TRP 73 HH TRP 73 9.754 -2.358 8.661 572 H ASN 74 H ASN 74 2.050 -2.865 12.162 573 HA ASN 74 HA ASN 74 3.293 -5.366 12.057 574 1HB ASN 74 1HB ASN 74 3.103 -4.226 14.161 575 2HB ASN 74 2HB ASN 74 1.345 -4.209 14.057 576 1HD2 ASN 74 1HD2 ASN 74 1.026 -5.283 15.966 577 2HD2 ASN 74 2HD2 ASN 74 1.417 -6.952 16.186 578 H ALA 75 H ALA 75 -0.180 -4.592 12.234 579 HA ALA 75 HA ALA 75 -1.363 -7.003 12.291 580 1HB ALA 75 1HB ALA 75 -2.862 -5.834 10.332 581 2HB ALA 75 2HB ALA 75 -3.017 -5.512 12.060 582 3HB ALA 75 3HB ALA 75 -2.044 -4.445 11.049 583 H LEU 76 H LEU 76 -0.168 -5.499 9.288 584 HA LEU 76 HA LEU 76 -0.795 -7.274 7.384 585 1HB LEU 76 1HB LEU 76 1.768 -5.821 7.890 586 2HB LEU 76 2HB LEU 76 1.630 -6.913 6.513 587 HG LEU 76 HG LEU 76 1.231 -4.408 6.129 588 1HD1 LEU 76 1HD1 LEU 76 0.578 -5.364 4.230 589 2HD1 LEU 76 2HD1 LEU 76 -1.064 -5.299 4.870 590 3HD1 LEU 76 3HD1 LEU 76 -0.096 -6.758 5.074 591 1HD2 LEU 76 1HD2 LEU 76 -0.207 -3.907 7.967 592 2HD2 LEU 76 2HD2 LEU 76 -1.336 -5.181 7.506 593 3HD2 LEU 76 3HD2 LEU 76 -1.155 -3.752 6.488 594 H GLY 77 H GLY 77 1.986 -7.688 9.576 595 1HA GLY 77 1HA GLY 77 2.889 -9.641 10.426 596 2HA GLY 77 2HA GLY 77 1.617 -10.538 9.611 597 H SER 78 H SER 78 2.623 -12.072 8.475 598 HA SER 78 HA SER 78 5.143 -11.533 7.151 599 1HB SER 78 1HB SER 78 3.451 -13.992 7.530 600 2HB SER 78 2HB SER 78 4.795 -13.985 6.388 601 HG SER 78 HG SER 78 5.274 -13.028 8.964 602 H LEU 79 H LEU 79 2.835 -10.066 6.227 603 HA LEU 79 HA LEU 79 1.814 -11.175 3.829 604 1HB LEU 79 1HB LEU 79 0.869 -9.258 5.209 605 2HB LEU 79 2HB LEU 79 2.075 -8.241 4.424 606 HG LEU 79 HG LEU 79 -0.130 -8.025 3.383 607 1HD1 LEU 79 1HD1 LEU 79 1.639 -9.483 1.451 608 2HD1 LEU 79 2HD1 LEU 79 2.090 -7.910 2.108 609 3HD1 LEU 79 3HD1 LEU 79 0.606 -8.081 1.171 610 1HD2 LEU 79 1HD2 LEU 79 -0.282 -10.466 1.947 611 2HD2 LEU 79 2HD2 LEU 79 -1.441 -9.789 3.092 612 3HD2 LEU 79 3HD2 LEU 79 -0.153 -10.852 3.663 613 HA PRO 80 HA PRO 80 5.452 -10.655 1.327 614 1HB PRO 80 1HB PRO 80 4.314 -11.442 -1.008 615 2HB PRO 80 2HB PRO 80 4.797 -12.579 0.256 616 1HG PRO 80 1HG PRO 80 2.085 -11.469 -0.358 617 2HG PRO 80 2HG PRO 80 2.547 -13.131 0.052 618 1HD PRO 80 1HD PRO 80 1.464 -11.432 1.860 619 2HD PRO 80 2HD PRO 80 2.642 -12.681 2.311 620 H LYS 81 H LYS 81 6.252 -9.068 0.032 621 HA LYS 81 HA LYS 81 5.049 -6.611 -0.180 622 1HB LYS 81 1HB LYS 81 6.978 -7.652 -2.250 623 2HB LYS 81 2HB LYS 81 6.772 -5.993 -1.703 624 1HG LYS 81 1HG LYS 81 7.449 -7.076 0.621 625 2HG LYS 81 2HG LYS 81 8.234 -8.243 -0.447 626 1HD LYS 81 1HD LYS 81 9.576 -6.572 -1.443 627 2HD LYS 81 2HD LYS 81 8.607 -5.272 -0.746 628 1HE LYS 81 1HE LYS 81 10.379 -5.239 0.691 629 2HE LYS 81 2HE LYS 81 9.353 -6.412 1.517 630 1HZ LYS 81 1HZ LYS 81 11.824 -6.959 1.125 631 2HZ LYS 81 2HZ LYS 81 11.343 -7.320 -0.456 632 3HZ LYS 81 3HZ LYS 81 10.670 -8.164 0.846 633 H GLU 82 H GLU 82 5.128 -9.166 -2.652 634 HA GLU 82 HA GLU 82 3.887 -7.952 -4.749 635 1HB GLU 82 1HB GLU 82 3.352 -10.754 -3.747 636 2HB GLU 82 2HB GLU 82 2.973 -10.163 -5.358 637 1HG GLU 82 1HG GLU 82 5.529 -9.583 -5.403 638 2HG GLU 82 2HG GLU 82 5.608 -10.817 -4.148 639 H ALA 83 H ALA 83 2.152 -9.721 -2.180 640 HA ALA 83 HA ALA 83 -0.422 -8.921 -3.001 641 1HB ALA 83 1HB ALA 83 -0.101 -10.856 -1.589 642 2HB ALA 83 2HB ALA 83 0.541 -9.842 -0.296 643 3HB ALA 83 3HB ALA 83 -1.149 -9.694 -0.775 644 H ALA 84 H ALA 84 1.805 -7.595 -0.584 645 HA ALA 84 HA ALA 84 0.159 -5.672 0.551 646 1HB ALA 84 1HB ALA 84 2.798 -6.388 0.799 647 2HB ALA 84 2HB ALA 84 2.894 -4.743 0.170 648 3HB ALA 84 3HB ALA 84 2.002 -5.067 1.656 649 H ARG 85 H ARG 85 2.052 -5.539 -2.427 650 HA ARG 85 HA ARG 85 1.683 -2.802 -2.973 651 1HB ARG 85 1HB ARG 85 2.453 -5.201 -4.567 652 2HB ARG 85 2HB ARG 85 1.978 -3.750 -5.439 653 1HG ARG 85 1HG ARG 85 3.966 -3.453 -3.261 654 2HG ARG 85 2HG ARG 85 4.487 -4.232 -4.756 655 1HD ARG 85 1HD ARG 85 4.181 -2.333 -6.012 656 2HD ARG 85 2HD ARG 85 2.958 -1.682 -4.922 657 HE ARG 85 HE ARG 85 4.619 -0.628 -3.765 658 1HH1 ARG 85 2HH1 ARG 85 6.027 -3.172 -5.681 659 2HH1 ARG 85 1HH1 ARG 85 7.659 -2.729 -5.306 660 1HH2 ARG 85 2HH2 ARG 85 6.764 -0.035 -3.264 661 2HH2 ARG 85 1HH2 ARG 85 8.078 -0.945 -3.931 662 H GLN 86 H GLN 86 -0.267 -5.643 -3.682 663 HA GLN 86 HA GLN 86 -2.099 -4.304 -5.407 664 1HB GLN 86 1HB GLN 86 -1.908 -6.674 -5.617 665 2HB GLN 86 2HB GLN 86 -2.236 -6.917 -3.907 666 1HG GLN 86 1HG GLN 86 -4.231 -7.505 -4.897 667 2HG GLN 86 2HG GLN 86 -4.516 -5.832 -4.421 668 1HE2 GLN 86 1HE2 GLN 86 -4.171 -4.189 -6.095 669 2HE2 GLN 86 2HE2 GLN 86 -4.568 -4.582 -7.730 670 H ASN 87 H ASN 87 -2.137 -5.184 -1.974 671 HA ASN 87 HA ASN 87 -4.731 -4.354 -1.372 672 1HB ASN 87 1HB ASN 87 -2.238 -4.418 0.335 673 2HB ASN 87 2HB ASN 87 -3.841 -4.071 0.975 674 1HD2 ASN 87 1HD2 ASN 87 -1.653 -6.476 -0.044 675 2HD2 ASN 87 2HD2 ASN 87 -2.668 -7.845 0.236 676 H TYR 88 H TYR 88 -1.681 -2.539 -1.061 677 HA TYR 88 HA TYR 88 -2.631 -0.154 -0.102 678 1HB TYR 88 1HB TYR 88 -0.237 -0.681 -0.484 679 2HB TYR 88 2HB TYR 88 -0.485 -0.467 -2.213 680 HD1 TYR 88 1HD TYR 88 0.593 1.105 0.717 681 HD2 TYR 88 2HD TYR 88 -1.579 1.874 -2.860 682 HE1 TYR 88 1HE TYR 88 1.065 3.508 0.954 683 HE2 TYR 88 2HE TYR 88 -1.113 4.278 -2.633 684 HH TYR 88 HH TYR 88 0.764 5.535 0.110 685 H VAL 89 H VAL 89 -2.266 -1.005 -3.546 686 HA VAL 89 HA VAL 89 -3.476 1.335 -4.545 687 HB VAL 89 HB VAL 89 -3.783 0.015 -6.654 688 1HG1 VAL 89 1HG1 VAL 89 -1.515 0.068 -7.216 689 2HG1 VAL 89 2HG1 VAL 89 -1.659 1.240 -5.904 690 3HG1 VAL 89 3HG1 VAL 89 -1.007 -0.368 -5.584 691 1HG2 VAL 89 1HG2 VAL 89 -2.779 -2.226 -6.758 692 2HG2 VAL 89 2HG2 VAL 89 -2.532 -2.187 -5.012 693 3HG2 VAL 89 3HG2 VAL 89 -4.167 -2.175 -5.672 694 H ASP 90 H ASP 90 -4.780 -1.873 -3.807 695 HA ASP 90 HA ASP 90 -7.308 -1.703 -4.840 696 1HB ASP 90 1HB ASP 90 -6.332 -3.662 -3.615 697 2HB ASP 90 2HB ASP 90 -6.671 -2.822 -2.104 698 H LEU 91 H LEU 91 -6.042 -0.113 -1.986 699 HA LEU 91 HA LEU 91 -8.570 0.786 -1.010 700 1HB LEU 91 1HB LEU 91 -6.598 0.541 0.428 701 2HB LEU 91 2HB LEU 91 -5.796 1.833 -0.462 702 HG LEU 91 HG LEU 91 -6.767 2.440 1.795 703 1HD1 LEU 91 1HD1 LEU 91 -7.925 4.065 -0.446 704 2HD1 LEU 91 2HD1 LEU 91 -6.192 4.012 -0.125 705 3HD1 LEU 91 3HD1 LEU 91 -7.299 4.615 1.108 706 1HD2 LEU 91 1HD2 LEU 91 -8.877 1.146 1.458 707 2HD2 LEU 91 2HD2 LEU 91 -9.377 2.370 0.290 708 3HD2 LEU 91 3HD2 LEU 91 -9.120 2.814 1.978 709 H VAL 92 H VAL 92 -5.847 2.716 -2.270 710 HA VAL 92 HA VAL 92 -7.034 5.109 -2.655 711 HB VAL 92 HB VAL 92 -5.186 3.792 -4.650 712 1HG1 VAL 92 1HG1 VAL 92 -6.563 6.131 -4.973 713 2HG1 VAL 92 2HG1 VAL 92 -5.039 6.688 -4.281 714 3HG1 VAL 92 3HG1 VAL 92 -5.038 5.730 -5.762 715 1HG2 VAL 92 1HG2 VAL 92 -4.785 4.889 -1.967 716 2HG2 VAL 92 2HG2 VAL 92 -3.768 3.801 -2.912 717 3HG2 VAL 92 3HG2 VAL 92 -3.686 5.542 -3.182 718 H SER 93 H SER 93 -7.446 2.260 -4.676 719 HA SER 93 HA SER 93 -8.866 3.536 -6.770 720 1HB SER 93 1HB SER 93 -7.752 1.139 -6.606 721 2HB SER 93 2HB SER 93 -9.375 0.667 -6.105 722 HG SER 93 HG SER 93 -8.537 1.803 -8.548 723 H SER 94 H SER 94 -9.856 1.970 -3.772 724 HA SER 94 HA SER 94 -12.624 1.925 -4.249 725 1HB SER 94 1HB SER 94 -11.015 2.011 -1.696 726 2HB SER 94 2HB SER 94 -12.775 1.886 -1.705 727 HG SER 94 HG SER 94 -11.082 0.092 -3.100 728 H LEU 95 H LEU 95 -10.489 4.437 -3.058 729 HA LEU 95 HA LEU 95 -12.513 6.201 -2.142 730 1HB LEU 95 1HB LEU 95 -9.684 6.728 -3.035 731 2HB LEU 95 2HB LEU 95 -10.726 7.924 -2.267 732 HG LEU 95 HG LEU 95 -10.000 5.336 -0.919 733 1HD1 LEU 95 1HD1 LEU 95 -8.577 7.922 -0.413 734 2HD1 LEU 95 2HD1 LEU 95 -8.000 6.787 -1.633 735 3HD1 LEU 95 3HD1 LEU 95 -8.115 6.285 0.054 736 1HD2 LEU 95 1HD2 LEU 95 -10.657 6.463 1.077 737 2HD2 LEU 95 2HD2 LEU 95 -11.941 6.692 -0.111 738 3HD2 LEU 95 3HD2 LEU 95 -10.808 8.002 0.227 739 H SER 96 H SER 96 -10.595 6.137 -5.143 740 HA SER 96 HA SER 96 -11.642 8.327 -6.425 741 1HB SER 96 1HB SER 96 -11.092 7.172 -8.550 742 2HB SER 96 2HB SER 96 -9.799 7.031 -7.359 743 HG SER 96 HG SER 96 -11.740 5.026 -7.425 744 HA PRO 97 HA PRO 97 -15.949 7.132 -6.671 745 1HB PRO 97 1HB PRO 97 -16.795 9.485 -7.728 746 2HB PRO 97 2HB PRO 97 -16.435 9.278 -6.010 747 1HG PRO 97 1HG PRO 97 -14.738 10.468 -8.171 748 2HG PRO 97 2HG PRO 97 -15.005 11.041 -6.514 749 1HD PRO 97 1HD PRO 97 -12.785 9.673 -7.242 750 2HD PRO 97 2HD PRO 97 -13.494 9.548 -5.620 751 H SER 98 H SER 98 -14.430 8.966 -9.332 752 HA SER 98 HA SER 98 -15.255 6.930 -11.227 753 1HB SER 98 1HB SER 98 -17.229 8.237 -11.346 754 2HB SER 98 2HB SER 98 -16.325 9.750 -11.284 755 HG SER 98 HG SER 98 -16.575 7.922 -13.419 756 H LEU 99 H LEU 99 -13.616 6.585 -12.562 757 HA LEU 99 HA LEU 99 -11.796 8.823 -13.166 758 1HB LEU 99 1HB LEU 99 -11.185 5.947 -12.561 759 2HB LEU 99 2HB LEU 99 -10.047 6.976 -13.428 760 HG LEU 99 HG LEU 99 -11.093 7.762 -10.729 761 1HD1 LEU 99 1HD1 LEU 99 -9.309 5.546 -11.369 762 2HD1 LEU 99 2HD1 LEU 99 -10.134 5.942 -9.861 763 3HD1 LEU 99 3HD1 LEU 99 -8.603 6.721 -10.259 764 1HD2 LEU 99 1HD2 LEU 99 -8.725 8.778 -10.729 765 2HD2 LEU 99 2HD2 LEU 99 -9.970 9.541 -11.718 766 3HD2 LEU 99 3HD2 LEU 99 -8.766 8.493 -12.469 767 H GLU 100 H GLU 100 -10.386 8.212 -15.164 768 HA GLU 100 HA GLU 100 -12.157 7.039 -17.206 769 1HB GLU 100 1HB GLU 100 -11.287 8.643 -18.812 770 2HB GLU 100 2HB GLU 100 -11.974 9.485 -17.431 771 1HG GLU 100 1HG GLU 100 -9.565 9.541 -16.535 772 2HG GLU 100 2HG GLU 100 -9.101 9.153 -18.191 773 H SER 101 H SER 101 -10.842 6.475 -19.254 774 HA SER 101 HA SER 101 -9.098 4.395 -18.652 775 1HB SER 101 1HB SER 101 -10.393 5.034 -20.866 776 2HB SER 101 2HB SER 101 -8.855 5.786 -21.289 777 HG SER 101 HG SER 101 -9.197 3.487 -21.887 778 H SER 102 H SER 102 -7.021 4.305 -18.114 779 HA SER 102 HA SER 102 -5.465 6.472 -17.459 780 1HB SER 102 1HB SER 102 -4.639 3.689 -18.298 781 2HB SER 102 2HB SER 102 -3.503 4.878 -17.661 782 HG SER 102 HG SER 102 -4.219 4.483 -15.731 783 H SER 103 H SER 103 -3.645 7.478 -18.428 784 HA SER 103 HA SER 103 -2.975 7.036 -21.173 785 1HB SER 103 1HB SER 103 -4.680 9.413 -20.433 786 2HB SER 103 2HB SER 103 -3.662 9.396 -21.872 787 HG SER 103 HG SER 103 -5.525 8.610 -22.616 788 H GLN 104 H GLN 104 -0.888 7.487 -21.334 789 HA GLN 104 HA GLN 104 0.258 9.895 -20.309 790 1HB GLN 104 1HB GLN 104 0.198 8.647 -18.223 791 2HB GLN 104 2HB GLN 104 0.999 7.280 -18.987 792 1HG GLN 104 1HG GLN 104 3.035 8.438 -19.168 793 2HG GLN 104 2HG GLN 104 2.274 9.989 -18.820 794 1HE2 GLN 104 1HE2 GLN 104 4.526 8.957 -17.483 795 2HE2 GLN 104 2HE2 GLN 104 4.095 8.696 -15.830 796 H VAL 105 H VAL 105 2.314 10.304 -21.138 797 HA VAL 105 HA VAL 105 3.133 8.464 -23.278 798 HB VAL 105 HB VAL 105 3.805 11.385 -22.898 799 1HG1 VAL 105 1HG1 VAL 105 4.894 11.310 -25.010 800 2HG1 VAL 105 2HG1 VAL 105 5.546 9.982 -24.047 801 3HG1 VAL 105 3HG1 VAL 105 4.351 9.658 -25.303 802 1HG2 VAL 105 1HG2 VAL 105 2.056 10.133 -25.005 803 2HG2 VAL 105 2HG2 VAL 105 1.427 10.823 -23.509 804 3HG2 VAL 105 3HG2 VAL 105 2.280 11.849 -24.662 805 H GLU 106 H GLU 106 4.709 7.125 -22.687 806 HA GLU 106 HA GLU 106 6.553 7.758 -20.579 807 1HB GLU 106 1HB GLU 106 6.079 5.415 -22.370 808 2HB GLU 106 2HB GLU 106 7.621 5.538 -21.535 809 1HG GLU 106 1HG GLU 106 5.093 5.840 -19.988 810 2HG GLU 106 2HG GLU 106 5.635 4.233 -20.469 811 HA PRO 107 HA PRO 107 9.712 9.668 -22.975 812 1HB PRO 107 1HB PRO 107 11.831 9.183 -21.350 813 2HB PRO 107 2HB PRO 107 10.587 10.381 -20.974 814 1HG PRO 107 1HG PRO 107 10.889 7.581 -19.959 815 2HG PRO 107 2HG PRO 107 10.460 9.053 -19.069 816 1HD PRO 107 1HD PRO 107 8.612 7.240 -19.862 817 2HD PRO 107 2HD PRO 107 8.261 8.977 -19.752 818 H GLY 108 H GLY 108 9.656 6.318 -22.257 819 1HA GLY 108 1HA GLY 108 10.322 4.929 -24.224 820 2HA GLY 108 2HA GLY 108 11.819 5.850 -24.218 821 H THR 109 H THR 109 11.083 2.916 -23.823 822 HA THR 109 HA THR 109 11.842 2.297 -21.133 823 HB THR 109 HB THR 109 10.413 0.797 -22.516 824 HG1 THR 109 1HG THR 109 11.191 -0.916 -21.462 825 1HG2 THR 109 1HG2 THR 109 12.012 1.162 -24.557 826 2HG2 THR 109 2HG2 THR 109 11.194 -0.386 -24.341 827 3HG2 THR 109 3HG2 THR 109 12.883 -0.208 -23.867 828 H ASP 110 H ASP 110 13.784 1.493 -20.370 829 HA ASP 110 HA ASP 110 16.140 2.554 -21.034 830 1HB ASP 110 1HB ASP 110 15.597 -0.245 -20.054 831 2HB ASP 110 2HB ASP 110 17.232 0.392 -20.206 832 H SER 111 H SER 111 17.605 2.494 -22.623 833 HA SER 111 HA SER 111 17.541 0.274 -24.539 834 1HB SER 111 1HB SER 111 17.464 1.694 -26.437 835 2HB SER 111 2HB SER 111 16.207 2.299 -25.357 836 HG SER 111 HG SER 111 18.183 3.666 -24.604 837 H GLY 112 H GLY 112 19.508 -0.484 -24.992 838 1HA GLY 112 1HA GLY 112 21.813 0.828 -25.580 839 2HA GLY 112 2HA GLY 112 21.818 0.786 -23.823 840 HA PRO 113 HA PRO 113 23.749 -3.115 -25.555 841 1HB PRO 113 1HB PRO 113 26.126 -2.841 -24.272 842 2HB PRO 113 2HB PRO 113 25.809 -2.146 -25.866 843 1HG PRO 113 1HG PRO 113 25.742 -0.829 -23.179 844 2HG PRO 113 2HG PRO 113 26.420 -0.228 -24.702 845 1HD PRO 113 1HD PRO 113 24.005 0.566 -23.770 846 2HD PRO 113 2HD PRO 113 24.363 0.434 -25.504 847 H SER 114 H SER 114 24.110 -1.697 -22.306 848 HA SER 114 HA SER 114 24.571 -3.920 -20.795 849 1HB SER 114 1HB SER 114 22.976 -1.434 -20.243 850 2HB SER 114 2HB SER 114 23.082 -2.709 -19.029 851 HG SER 114 HG SER 114 24.829 -1.593 -18.542 852 H SER 115 H SER 115 23.614 -5.836 -21.075 853 HA SER 115 HA SER 115 20.691 -5.935 -21.350 854 1HB SER 115 1HB SER 115 20.987 -8.170 -22.254 855 2HB SER 115 2HB SER 115 22.056 -7.057 -23.107 856 HG SER 115 HG SER 115 23.045 -8.391 -20.857 857 H GLY 116 H GLY 116 19.752 -8.055 -20.372 858 1HA GLY 116 1HA GLY 116 20.370 -7.961 -17.537 859 2HA GLY 116 2HA GLY 116 19.019 -8.799 -18.285 Start of MODEL 15 1 1H GLY 1 H GLY 1 -27.550 2.022 -26.282 2 1HA GLY 1 1HA GLY 1 -28.257 -0.379 -27.755 3 2HA GLY 1 2HA GLY 1 -26.808 0.442 -28.317 4 H SER 2 H SER 2 -24.970 -0.270 -27.488 5 HA SER 2 HA SER 2 -24.831 -1.067 -24.695 6 1HB SER 2 1HB SER 2 -24.421 -2.951 -26.999 7 2HB SER 2 2HB SER 2 -23.545 -3.190 -25.487 8 HG SER 2 HG SER 2 -25.882 -2.874 -24.625 9 H SER 3 H SER 3 -22.429 -1.888 -24.300 10 HA SER 3 HA SER 3 -20.645 -0.003 -25.698 11 1HB SER 3 1HB SER 3 -20.753 -0.762 -22.778 12 2HB SER 3 2HB SER 3 -19.350 0.025 -23.500 13 HG SER 3 HG SER 3 -21.893 1.035 -22.979 14 H GLY 4 H GLY 4 -19.742 -1.415 -27.147 15 1HA GLY 4 1HA GLY 4 -17.927 -2.787 -27.701 16 2HA GLY 4 2HA GLY 4 -17.843 -3.315 -26.027 17 H SER 5 H SER 5 -18.233 -5.405 -25.820 18 HA SER 5 HA SER 5 -20.613 -6.618 -26.775 19 1HB SER 5 1HB SER 5 -19.705 -8.169 -28.392 20 2HB SER 5 2HB SER 5 -19.289 -6.532 -28.898 21 HG SER 5 HG SER 5 -17.650 -8.550 -28.469 22 H SER 6 H SER 6 -20.551 -9.052 -26.385 23 HA SER 6 HA SER 6 -19.531 -9.491 -23.750 24 1HB SER 6 1HB SER 6 -21.181 -11.051 -25.691 25 2HB SER 6 2HB SER 6 -20.413 -11.916 -24.360 26 HG SER 6 HG SER 6 -22.636 -10.498 -24.295 27 H GLY 7 H GLY 7 -17.692 -10.440 -23.133 28 1HA GLY 7 1HA GLY 7 -16.276 -12.200 -24.994 29 2HA GLY 7 2HA GLY 7 -15.433 -10.759 -24.444 30 H MET 8 H MET 8 -14.251 -10.920 -22.653 31 HA MET 8 HA MET 8 -14.877 -13.078 -20.754 32 1HB MET 8 1HB MET 8 -12.878 -13.487 -22.353 33 2HB MET 8 2HB MET 8 -12.043 -12.293 -21.369 34 1HG MET 8 1HG MET 8 -11.406 -14.266 -20.383 35 2HG MET 8 2HG MET 8 -12.772 -13.779 -19.383 36 1HE MET 8 1HE MET 8 -11.131 -16.435 -21.382 37 2HE MET 8 2HE MET 8 -12.411 -17.448 -22.048 38 3HE MET 8 3HE MET 8 -12.079 -15.867 -22.756 39 H ASN 9 H ASN 9 -13.048 -10.070 -21.254 40 HA ASN 9 HA ASN 9 -12.347 -8.469 -19.770 41 1HB ASN 9 1HB ASN 9 -15.153 -8.913 -18.727 42 2HB ASN 9 2HB ASN 9 -14.180 -7.463 -18.500 43 1HD2 ASN 9 1HD2 ASN 9 -13.250 -6.693 -20.745 44 2HD2 ASN 9 2HD2 ASN 9 -14.452 -6.513 -21.972 45 H ARG 10 H ARG 10 -11.203 -10.712 -18.947 46 HA ARG 10 HA ARG 10 -11.868 -11.231 -16.167 47 1HB ARG 10 1HB ARG 10 -11.114 -12.986 -17.898 48 2HB ARG 10 2HB ARG 10 -9.496 -12.348 -17.640 49 1HG ARG 10 1HG ARG 10 -9.583 -12.936 -15.307 50 2HG ARG 10 2HG ARG 10 -11.263 -13.454 -15.469 51 1HD ARG 10 1HD ARG 10 -9.988 -15.432 -15.519 52 2HD ARG 10 2HD ARG 10 -10.430 -15.115 -17.197 53 HE ARG 10 HE ARG 10 -7.947 -13.935 -16.727 54 1HH1 ARG 10 2HH1 ARG 10 -9.369 -17.110 -16.856 55 2HH1 ARG 10 1HH1 ARG 10 -7.906 -17.887 -17.365 56 1HH2 ARG 10 2HH2 ARG 10 -6.015 -14.946 -17.397 57 2HH2 ARG 10 1HH2 ARG 10 -5.999 -16.655 -17.671 58 H THR 11 H THR 11 -11.266 -8.675 -16.208 59 HA THR 11 HA THR 11 -8.697 -7.740 -16.153 60 HB THR 11 HB THR 11 -9.441 -6.080 -14.457 61 HG1 THR 11 1HG THR 11 -10.984 -7.848 -13.567 62 1HG2 THR 11 1HG2 THR 11 -9.944 -5.376 -16.607 63 2HG2 THR 11 2HG2 THR 11 -11.529 -5.339 -15.833 64 3HG2 THR 11 3HG2 THR 11 -11.089 -6.689 -16.879 65 H ALA 12 H ALA 12 -7.044 -8.857 -15.288 66 HA ALA 12 HA ALA 12 -6.991 -10.582 -13.178 67 1HB ALA 12 1HB ALA 12 -4.650 -10.304 -13.089 68 2HB ALA 12 2HB ALA 12 -5.107 -9.991 -14.763 69 3HB ALA 12 3HB ALA 12 -4.747 -8.645 -13.682 70 H MET 13 H MET 13 -7.312 -10.452 -11.056 71 HA MET 13 HA MET 13 -7.824 -7.902 -9.825 72 1HB MET 13 1HB MET 13 -8.967 -10.219 -9.395 73 2HB MET 13 2HB MET 13 -7.625 -10.464 -8.286 74 1HG MET 13 1HG MET 13 -8.256 -8.361 -7.138 75 2HG MET 13 2HG MET 13 -9.666 -8.258 -8.190 76 1HE MET 13 1HE MET 13 -8.161 -10.719 -5.116 77 2HE MET 13 2HE MET 13 -8.328 -8.963 -5.109 78 3HE MET 13 3HE MET 13 -9.486 -9.963 -4.230 79 H ARG 14 H ARG 14 -5.232 -7.885 -10.678 80 HA ARG 14 HA ARG 14 -3.805 -7.660 -8.145 81 1HB ARG 14 1HB ARG 14 -1.956 -8.962 -8.761 82 2HB ARG 14 2HB ARG 14 -3.340 -9.929 -9.252 83 1HG ARG 14 1HG ARG 14 -3.011 -9.448 -11.523 84 2HG ARG 14 2HG ARG 14 -1.925 -8.104 -11.165 85 1HD ARG 14 1HD ARG 14 -0.156 -9.497 -10.655 86 2HD ARG 14 2HD ARG 14 -1.207 -10.859 -10.268 87 HE ARG 14 HE ARG 14 -1.137 -11.485 -12.465 88 1HH1 ARG 14 2HH1 ARG 14 -0.058 -8.187 -12.192 89 2HH1 ARG 14 1HH1 ARG 14 0.435 -8.073 -13.849 90 1HH2 ARG 14 2HH2 ARG 14 -0.492 -11.348 -14.649 91 2HH2 ARG 14 1HH2 ARG 14 0.187 -9.872 -15.246 92 H ALA 15 H ALA 15 -2.189 -6.104 -8.139 93 HA ALA 15 HA ALA 15 -2.143 -4.371 -10.517 94 1HB ALA 15 1HB ALA 15 -2.804 -2.857 -9.004 95 2HB ALA 15 2HB ALA 15 -2.263 -3.837 -7.640 96 3HB ALA 15 3HB ALA 15 -1.107 -2.837 -8.520 97 H SER 16 H SER 16 -0.007 -2.913 -10.360 98 HA SER 16 HA SER 16 2.285 -4.702 -9.917 99 1HB SER 16 1HB SER 16 1.428 -4.334 -12.398 100 2HB SER 16 2HB SER 16 2.339 -2.831 -12.246 101 HG SER 16 HG SER 16 3.476 -4.801 -13.047 102 H GLN 17 H GLN 17 4.369 -3.179 -10.473 103 HA GLN 17 HA GLN 17 4.534 -1.396 -8.306 104 1HB GLN 17 1HB GLN 17 6.472 -2.578 -9.306 105 2HB GLN 17 2HB GLN 17 6.340 -1.548 -10.725 106 1HG GLN 17 1HG GLN 17 8.103 -0.844 -9.149 107 2HG GLN 17 2HG GLN 17 6.885 0.396 -9.444 108 1HE2 GLN 17 1HE2 GLN 17 5.824 1.241 -7.766 109 2HE2 GLN 17 2HE2 GLN 17 5.956 0.696 -6.132 110 H LYS 18 H LYS 18 4.803 -0.608 -11.776 111 HA LYS 18 HA LYS 18 4.715 2.110 -11.656 112 1HB LYS 18 1HB LYS 18 3.985 2.123 -13.907 113 2HB LYS 18 2HB LYS 18 4.911 0.640 -13.716 114 1HG LYS 18 1HG LYS 18 1.980 0.499 -13.287 115 2HG LYS 18 2HG LYS 18 2.568 0.693 -14.940 116 1HD LYS 18 1HD LYS 18 3.815 -1.383 -13.200 117 2HD LYS 18 2HD LYS 18 2.223 -1.697 -13.896 118 1HE LYS 18 1HE LYS 18 4.530 -0.764 -15.576 119 2HE LYS 18 2HE LYS 18 4.282 -2.470 -15.211 120 1HZ LYS 18 1HZ LYS 18 2.008 -2.214 -16.148 121 2HZ LYS 18 2HZ LYS 18 3.247 -2.009 -17.280 122 3HZ LYS 18 3HZ LYS 18 2.435 -0.660 -16.662 123 H ASP 19 H ASP 19 2.087 -0.106 -11.105 124 HA ASP 19 HA ASP 19 0.004 1.850 -11.274 125 1HB ASP 19 1HB ASP 19 0.187 -0.995 -10.361 126 2HB ASP 19 2HB ASP 19 -1.230 -0.044 -9.923 127 H PHE 20 H PHE 20 2.017 0.538 -8.716 128 HA PHE 20 HA PHE 20 0.562 1.607 -6.537 129 1HB PHE 20 1HB PHE 20 2.270 -0.214 -6.371 130 2HB PHE 20 2HB PHE 20 3.521 0.994 -6.645 131 HD1 PHE 20 1HD PHE 20 3.551 2.998 -4.999 132 HD2 PHE 20 2HD PHE 20 1.608 -0.707 -4.217 133 HE1 PHE 20 1HE PHE 20 3.622 3.474 -2.586 134 HE2 PHE 20 2HE PHE 20 1.675 -0.237 -1.803 135 HZ PHE 20 HZ PHE 20 2.682 1.856 -0.985 136 H GLU 21 H GLU 21 3.487 2.756 -8.211 137 HA GLU 21 HA GLU 21 3.953 5.061 -6.769 138 1HB GLU 21 1HB GLU 21 4.413 4.367 -9.656 139 2HB GLU 21 2HB GLU 21 4.838 5.955 -9.033 140 1HG GLU 21 1HG GLU 21 6.360 4.977 -7.446 141 2HG GLU 21 2HG GLU 21 5.866 3.354 -7.924 142 H ASN 22 H ASN 22 1.431 4.387 -9.044 143 HA ASN 22 HA ASN 22 0.703 7.170 -9.385 144 1HB ASN 22 1HB ASN 22 -0.413 4.564 -10.392 145 2HB ASN 22 2HB ASN 22 -1.317 6.065 -10.571 146 1HD2 ASN 22 1HD2 ASN 22 0.489 4.057 -12.242 147 2HD2 ASN 22 2HD2 ASN 22 1.306 5.143 -13.310 148 H SER 23 H SER 23 -0.519 4.317 -7.693 149 HA SER 23 HA SER 23 -2.906 5.447 -6.734 150 1HB SER 23 1HB SER 23 -1.175 3.204 -5.686 151 2HB SER 23 2HB SER 23 -2.716 3.645 -4.949 152 HG SER 23 HG SER 23 -2.328 2.856 -7.650 153 H MET 24 H MET 24 0.276 5.120 -5.167 154 HA MET 24 HA MET 24 -0.340 6.354 -2.756 155 1HB MET 24 1HB MET 24 2.097 6.860 -2.612 156 2HB MET 24 2HB MET 24 1.745 5.188 -3.028 157 1HG MET 24 1HG MET 24 2.578 5.386 -5.134 158 2HG MET 24 2HG MET 24 2.187 7.100 -5.248 159 1HE MET 24 1HE MET 24 5.047 7.615 -6.280 160 2HE MET 24 2HE MET 24 3.697 8.546 -5.631 161 3HE MET 24 3HE MET 24 5.315 8.753 -4.958 162 H ASN 25 H ASN 25 0.516 7.759 -5.864 163 HA ASN 25 HA ASN 25 0.940 10.402 -4.999 164 1HB ASN 25 1HB ASN 25 1.565 9.489 -7.246 165 2HB ASN 25 2HB ASN 25 -0.141 9.522 -7.683 166 1HD2 ASN 25 1HD2 ASN 25 0.742 10.903 -9.413 167 2HD2 ASN 25 2HD2 ASN 25 0.891 12.597 -9.104 168 H GLN 26 H GLN 26 -1.972 8.828 -6.304 169 HA GLN 26 HA GLN 26 -3.701 10.976 -6.282 170 1HB GLN 26 1HB GLN 26 -4.358 8.110 -5.577 171 2HB GLN 26 2HB GLN 26 -5.519 9.336 -6.068 172 1HG GLN 26 1HG GLN 26 -4.395 9.502 -8.246 173 2HG GLN 26 2HG GLN 26 -3.283 8.227 -7.750 174 1HE2 GLN 26 1HE2 GLN 26 -6.593 8.987 -8.562 175 2HE2 GLN 26 2HE2 GLN 26 -7.091 7.366 -8.890 176 H VAL 27 H VAL 27 -2.792 8.849 -3.611 177 HA VAL 27 HA VAL 27 -4.622 9.798 -1.710 178 HB VAL 27 HB VAL 27 -1.840 8.728 -1.218 179 1HG1 VAL 27 1HG1 VAL 27 -2.227 9.047 0.943 180 2HG1 VAL 27 2HG1 VAL 27 -3.776 9.801 0.559 181 3HG1 VAL 27 3HG1 VAL 27 -3.685 8.061 0.834 182 1HG2 VAL 27 1HG2 VAL 27 -3.762 7.394 -2.519 183 2HG2 VAL 27 2HG2 VAL 27 -2.621 6.609 -1.427 184 3HG2 VAL 27 3HG2 VAL 27 -4.236 7.032 -0.859 185 H LYS 28 H LYS 28 -1.670 11.142 -2.931 186 HA LYS 28 HA LYS 28 -1.468 13.084 -0.774 187 1HB LYS 28 1HB LYS 28 0.195 12.651 -3.260 188 2HB LYS 28 2HB LYS 28 0.516 13.899 -2.063 189 1HG LYS 28 1HG LYS 28 0.648 12.008 -0.364 190 2HG LYS 28 2HG LYS 28 0.717 10.923 -1.755 191 1HD LYS 28 1HD LYS 28 2.568 13.250 -1.700 192 2HD LYS 28 2HD LYS 28 2.910 11.891 -0.627 193 1HE LYS 28 1HE LYS 28 4.049 11.206 -2.481 194 2HE LYS 28 2HE LYS 28 2.471 10.503 -2.833 195 1HZ LYS 28 1HZ LYS 28 3.304 13.172 -3.817 196 2HZ LYS 28 2HZ LYS 28 1.970 12.256 -4.312 197 3HZ LYS 28 3HZ LYS 28 3.536 11.749 -4.704 198 H LEU 29 H LEU 29 -2.877 12.798 -3.877 199 HA LEU 29 HA LEU 29 -2.865 15.553 -4.600 200 1HB LEU 29 1HB LEU 29 -4.217 13.089 -5.547 201 2HB LEU 29 2HB LEU 29 -4.945 14.633 -5.985 202 HG LEU 29 HG LEU 29 -3.029 15.285 -7.223 203 1HD1 LEU 29 1HD1 LEU 29 -1.555 12.781 -6.528 204 2HD1 LEU 29 2HD1 LEU 29 -1.470 14.184 -5.464 205 3HD1 LEU 29 3HD1 LEU 29 -0.936 14.315 -7.139 206 1HD2 LEU 29 1HD2 LEU 29 -3.191 13.833 -8.986 207 2HD2 LEU 29 2HD2 LEU 29 -4.616 13.363 -8.059 208 3HD2 LEU 29 3HD2 LEU 29 -3.140 12.401 -7.957 209 H LEU 30 H LEU 30 -5.208 13.440 -2.992 210 HA LEU 30 HA LEU 30 -7.311 15.286 -2.808 211 1HB LEU 30 1HB LEU 30 -8.256 13.844 -1.167 212 2HB LEU 30 2HB LEU 30 -7.473 12.842 -2.387 213 HG LEU 30 HG LEU 30 -5.497 12.738 -0.750 214 1HD1 LEU 30 1HD1 LEU 30 -5.654 13.865 1.150 215 2HD1 LEU 30 2HD1 LEU 30 -7.064 12.906 1.595 216 3HD1 LEU 30 3HD1 LEU 30 -7.270 14.419 0.713 217 1HD2 LEU 30 1HD2 LEU 30 -6.883 11.034 0.686 218 2HD2 LEU 30 2HD2 LEU 30 -6.566 10.728 -1.021 219 3HD2 LEU 30 3HD2 LEU 30 -8.131 11.366 -0.515 220 H LYS 31 H LYS 31 -7.810 16.875 -1.390 221 HA LYS 31 HA LYS 31 -5.768 17.538 0.624 222 1HB LYS 31 1HB LYS 31 -6.179 19.175 -1.252 223 2HB LYS 31 2HB LYS 31 -7.794 19.414 -0.599 224 1HG LYS 31 1HG LYS 31 -7.037 20.556 1.234 225 2HG LYS 31 2HG LYS 31 -5.457 19.768 1.208 226 1HD LYS 31 1HD LYS 31 -4.615 21.204 -0.366 227 2HD LYS 31 2HD LYS 31 -6.198 21.523 -1.079 228 1HE LYS 31 1HE LYS 31 -6.751 22.740 1.084 229 2HE LYS 31 2HE LYS 31 -5.031 22.643 1.457 230 1HZ LYS 31 1HZ LYS 31 -4.635 23.767 -0.720 231 2HZ LYS 31 2HZ LYS 31 -5.417 24.725 0.434 232 3HZ LYS 31 3HZ LYS 31 -6.302 24.035 -0.831 233 H LYS 32 H LYS 32 -8.540 15.972 0.526 234 HA LYS 32 HA LYS 32 -10.000 17.328 2.619 235 1HB LYS 32 1HB LYS 32 -10.388 14.754 1.113 236 2HB LYS 32 2HB LYS 32 -11.366 15.136 2.524 237 1HG LYS 32 1HG LYS 32 -12.246 17.094 1.463 238 2HG LYS 32 2HG LYS 32 -11.144 16.902 0.097 239 1HD LYS 32 1HD LYS 32 -12.285 14.565 -0.128 240 2HD LYS 32 2HD LYS 32 -13.574 15.315 0.815 241 1HE LYS 32 1HE LYS 32 -13.341 17.230 -0.953 242 2HE LYS 32 2HE LYS 32 -12.600 15.965 -1.932 243 1HZ LYS 32 1HZ LYS 32 -15.365 16.326 -1.168 244 2HZ LYS 32 2HZ LYS 32 -14.804 14.736 -1.033 245 3HZ LYS 32 3HZ LYS 32 -14.707 15.543 -2.516 246 H ASP 33 H ASP 33 -10.828 15.640 4.408 247 HA ASP 33 HA ASP 33 -8.455 14.307 5.530 248 1HB ASP 33 1HB ASP 33 -10.208 16.381 6.746 249 2HB ASP 33 2HB ASP 33 -9.656 15.075 7.792 250 HA PRO 34 HA PRO 34 -11.825 11.220 5.376 251 1HB PRO 34 1HB PRO 34 -10.150 9.107 5.065 252 2HB PRO 34 2HB PRO 34 -10.689 10.112 3.715 253 1HG PRO 34 1HG PRO 34 -8.112 10.206 5.235 254 2HG PRO 34 2HG PRO 34 -8.385 10.329 3.487 255 1HD PRO 34 1HD PRO 34 -7.944 12.496 5.049 256 2HD PRO 34 2HD PRO 34 -8.982 12.552 3.610 257 H GLY 35 H GLY 35 -8.810 11.243 7.216 258 1HA GLY 35 1HA GLY 35 -9.354 11.145 9.708 259 2HA GLY 35 2HA GLY 35 -10.118 9.616 9.299 260 H ASN 36 H ASN 36 -7.962 10.045 11.160 261 HA ASN 36 HA ASN 36 -5.470 9.325 10.041 262 1HB ASN 36 1HB ASN 36 -6.628 9.315 12.802 263 2HB ASN 36 2HB ASN 36 -5.091 8.505 12.511 264 1HD2 ASN 36 1HD2 ASN 36 -3.374 9.701 12.836 265 2HD2 ASN 36 2HD2 ASN 36 -3.284 11.421 12.698 266 H GLU 37 H GLU 37 -8.306 7.533 10.652 267 HA GLU 37 HA GLU 37 -7.252 4.986 11.182 268 1HB GLU 37 1HB GLU 37 -9.396 4.138 10.707 269 2HB GLU 37 2HB GLU 37 -9.680 5.755 11.334 270 1HG GLU 37 1HG GLU 37 -9.503 5.221 8.392 271 2HG GLU 37 2HG GLU 37 -11.007 5.013 9.287 272 H VAL 38 H VAL 38 -7.853 6.691 8.158 273 HA VAL 38 HA VAL 38 -7.053 4.407 6.560 274 HB VAL 38 HB VAL 38 -8.793 5.741 5.619 275 1HG1 VAL 38 1HG1 VAL 38 -8.400 8.141 5.036 276 2HG1 VAL 38 2HG1 VAL 38 -8.491 7.814 6.768 277 3HG1 VAL 38 3HG1 VAL 38 -6.925 8.073 6.000 278 1HG2 VAL 38 1HG2 VAL 38 -6.337 6.535 4.079 279 2HG2 VAL 38 2HG2 VAL 38 -6.925 4.874 4.128 280 3HG2 VAL 38 3HG2 VAL 38 -7.942 6.149 3.459 281 H LYS 39 H LYS 39 -5.786 7.592 7.434 282 HA LYS 39 HA LYS 39 -3.564 7.742 5.820 283 1HB LYS 39 1HB LYS 39 -4.226 8.759 8.536 284 2HB LYS 39 2HB LYS 39 -2.543 8.843 8.031 285 1HG LYS 39 1HG LYS 39 -3.243 10.866 7.290 286 2HG LYS 39 2HG LYS 39 -3.634 9.904 5.862 287 1HD LYS 39 1HD LYS 39 -5.911 9.881 6.352 288 2HD LYS 39 2HD LYS 39 -5.648 10.291 8.049 289 1HE LYS 39 1HE LYS 39 -6.552 12.101 6.429 290 2HE LYS 39 2HE LYS 39 -5.294 12.530 7.587 291 1HZ LYS 39 1HZ LYS 39 -4.596 11.651 4.859 292 2HZ LYS 39 2HZ LYS 39 -3.684 12.577 5.941 293 3HZ LYS 39 3HZ LYS 39 -5.022 13.260 5.163 294 H LEU 40 H LEU 40 -4.176 5.550 8.394 295 HA LEU 40 HA LEU 40 -1.380 4.831 8.726 296 1HB LEU 40 1HB LEU 40 -3.932 3.840 9.967 297 2HB LEU 40 2HB LEU 40 -2.372 3.076 10.266 298 HG LEU 40 HG LEU 40 -2.747 5.996 10.810 299 1HD1 LEU 40 1HD1 LEU 40 -3.971 3.743 12.254 300 2HD1 LEU 40 2HD1 LEU 40 -4.417 5.448 12.214 301 3HD1 LEU 40 3HD1 LEU 40 -3.098 4.907 13.251 302 1HD2 LEU 40 1HD2 LEU 40 -1.157 4.205 12.534 303 2HD2 LEU 40 2HD2 LEU 40 -0.802 5.829 11.947 304 3HD2 LEU 40 3HD2 LEU 40 -0.560 4.437 10.891 305 H LYS 41 H LYS 41 -4.378 3.282 7.602 306 HA LYS 41 HA LYS 41 -3.369 0.814 6.880 307 1HB LYS 41 1HB LYS 41 -5.356 0.467 5.795 308 2HB LYS 41 2HB LYS 41 -5.799 1.864 6.767 309 1HG LYS 41 1HG LYS 41 -5.163 3.281 4.764 310 2HG LYS 41 2HG LYS 41 -5.118 1.774 3.845 311 1HD LYS 41 1HD LYS 41 -7.498 2.771 5.410 312 2HD LYS 41 2HD LYS 41 -7.285 2.961 3.668 313 1HE LYS 41 1HE LYS 41 -7.544 0.384 5.209 314 2HE LYS 41 2HE LYS 41 -8.702 1.065 4.068 315 1HZ LYS 41 1HZ LYS 41 -6.396 0.897 2.635 316 2HZ LYS 41 2HZ LYS 41 -7.689 -0.191 2.558 317 3HZ LYS 41 3HZ LYS 41 -6.369 -0.517 3.565 318 H LEU 42 H LEU 42 -3.205 3.869 5.154 319 HA LEU 42 HA LEU 42 -2.210 2.785 2.717 320 1HB LEU 42 1HB LEU 42 -2.511 5.488 3.901 321 2HB LEU 42 2HB LEU 42 -1.356 5.304 2.583 322 HG LEU 42 HG LEU 42 -3.412 6.060 1.652 323 1HD1 LEU 42 1HD1 LEU 42 -3.422 3.110 1.106 324 2HD1 LEU 42 2HD1 LEU 42 -2.124 4.160 0.538 325 3HD1 LEU 42 3HD1 LEU 42 -3.782 4.440 0.005 326 1HD2 LEU 42 1HD2 LEU 42 -4.713 5.100 3.698 327 2HD2 LEU 42 2HD2 LEU 42 -4.911 3.684 2.665 328 3HD2 LEU 42 3HD2 LEU 42 -5.515 5.254 2.135 329 H TYR 43 H TYR 43 -0.757 3.802 5.714 330 HA TYR 43 HA TYR 43 1.929 3.808 4.638 331 1HB TYR 43 1HB TYR 43 1.901 5.326 6.341 332 2HB TYR 43 2HB TYR 43 0.660 4.458 7.239 333 HD1 TYR 43 1HD TYR 43 4.244 4.858 6.680 334 HD2 TYR 43 2HD TYR 43 1.269 2.631 8.752 335 HE1 TYR 43 1HE TYR 43 5.969 3.975 8.194 336 HE2 TYR 43 2HE TYR 43 2.985 1.742 10.273 337 HH TYR 43 HH TYR 43 6.345 2.830 10.089 338 H ALA 44 H ALA 44 -0.160 1.665 6.454 339 HA ALA 44 HA ALA 44 1.713 -0.162 7.413 340 1HB ALA 44 1HB ALA 44 -1.183 -0.295 6.749 341 2HB ALA 44 2HB ALA 44 -0.320 -1.802 7.058 342 3HB ALA 44 3HB ALA 44 -0.364 -0.542 8.291 343 H LEU 45 H LEU 45 -0.015 -0.115 4.309 344 HA LEU 45 HA LEU 45 1.207 -2.493 3.329 345 1HB LEU 45 1HB LEU 45 -0.353 -0.270 2.057 346 2HB LEU 45 2HB LEU 45 0.372 -1.551 1.088 347 HG LEU 45 HG LEU 45 -1.819 -2.260 1.354 348 1HD1 LEU 45 1HD1 LEU 45 -0.617 -3.558 3.775 349 2HD1 LEU 45 2HD1 LEU 45 -0.012 -3.894 2.153 350 3HD1 LEU 45 3HD1 LEU 45 -1.691 -4.251 2.559 351 1HD2 LEU 45 1HD2 LEU 45 -1.616 -1.227 4.172 352 2HD2 LEU 45 2HD2 LEU 45 -2.945 -2.246 3.618 353 3HD2 LEU 45 3HD2 LEU 45 -2.675 -0.668 2.877 354 H TYR 46 H TYR 46 1.802 0.965 2.805 355 HA TYR 46 HA TYR 46 3.722 0.915 0.867 356 1HB TYR 46 1HB TYR 46 2.965 3.017 1.717 357 2HB TYR 46 2HB TYR 46 3.552 2.647 3.334 358 HD1 TYR 46 1HD TYR 46 4.649 3.385 -0.131 359 HD2 TYR 46 2HD TYR 46 5.757 3.185 3.973 360 HE1 TYR 46 1HE TYR 46 6.778 4.498 -0.657 361 HE2 TYR 46 2HE TYR 46 7.888 4.299 3.458 362 HH TYR 46 HH TYR 46 9.350 4.430 1.009 363 H LYS 47 H LYS 47 4.358 0.681 4.368 364 HA LYS 47 HA LYS 47 7.122 0.114 4.052 365 1HB LYS 47 1HB LYS 47 5.371 -0.533 6.429 366 2HB LYS 47 2HB LYS 47 7.121 -0.357 6.423 367 1HG LYS 47 1HG LYS 47 5.392 1.924 5.573 368 2HG LYS 47 2HG LYS 47 5.629 1.578 7.288 369 1HD LYS 47 1HD LYS 47 8.019 1.717 5.515 370 2HD LYS 47 2HD LYS 47 7.229 3.223 5.986 371 1HE LYS 47 1HE LYS 47 7.358 2.232 8.385 372 2HE LYS 47 2HE LYS 47 8.595 1.181 7.695 373 1HZ LYS 47 1HZ LYS 47 9.490 3.225 8.713 374 2HZ LYS 47 2HZ LYS 47 8.658 4.146 7.563 375 3HZ LYS 47 3HZ LYS 47 9.880 3.084 7.072 376 H GLN 48 H GLN 48 4.331 -1.780 3.665 377 HA GLN 48 HA GLN 48 5.650 -4.301 4.251 378 1HB GLN 48 1HB GLN 48 3.186 -3.786 4.716 379 2HB GLN 48 2HB GLN 48 2.940 -3.953 2.982 380 1HG GLN 48 1HG GLN 48 2.435 -6.062 3.670 381 2HG GLN 48 2HG GLN 48 4.159 -6.244 3.348 382 1HE2 GLN 48 1HE2 GLN 48 3.886 -8.094 4.803 383 2HE2 GLN 48 2HE2 GLN 48 4.015 -7.832 6.505 384 H ALA 49 H ALA 49 4.895 -2.291 1.527 385 HA ALA 49 HA ALA 49 5.680 -4.412 -0.343 386 1HB ALA 49 1HB ALA 49 3.996 -2.006 -0.535 387 2HB ALA 49 2HB ALA 49 5.001 -2.347 -1.944 388 3HB ALA 49 3HB ALA 49 3.861 -3.559 -1.360 389 H THR 50 H THR 50 7.281 -2.358 1.474 390 HA THR 50 HA THR 50 9.284 -1.786 -0.606 391 HB THR 50 HB THR 50 9.892 0.289 0.630 392 HG1 THR 50 1HG THR 50 7.584 -0.436 2.118 393 1HG2 THR 50 1HG2 THR 50 8.676 1.009 -1.130 394 2HG2 THR 50 2HG2 THR 50 7.449 1.350 0.091 395 3HG2 THR 50 3HG2 THR 50 7.379 -0.149 -0.836 396 H GLU 51 H GLU 51 8.656 -2.295 2.841 397 HA GLU 51 HA GLU 51 11.471 -3.072 3.191 398 1HB GLU 51 1HB GLU 51 9.505 -2.522 5.406 399 2HB GLU 51 2HB GLU 51 11.259 -2.581 5.503 400 1HG GLU 51 1HG GLU 51 11.341 -0.562 4.052 401 2HG GLU 51 2HG GLU 51 9.585 -0.471 4.166 402 H GLY 52 H GLY 52 8.139 -4.083 3.801 403 1HA GLY 52 1HA GLY 52 7.703 -6.481 3.354 404 2HA GLY 52 2HA GLY 52 9.161 -6.816 4.277 405 HA PRO 53 HA PRO 53 5.775 -7.451 7.261 406 1HB PRO 53 1HB PRO 53 7.130 -9.297 8.718 407 2HB PRO 53 2HB PRO 53 6.241 -9.701 7.245 408 1HG PRO 53 1HG PRO 53 9.173 -9.229 7.618 409 2HG PRO 53 2HG PRO 53 8.354 -10.484 6.670 410 1HD PRO 53 1HD PRO 53 9.406 -8.260 5.540 411 2HD PRO 53 2HD PRO 53 7.960 -9.065 4.897 412 H CYS 54 H CYS 54 5.503 -6.471 9.198 413 HA CYS 54 HA CYS 54 7.160 -4.515 10.137 414 1HB CYS 54 1HB CYS 54 4.966 -4.532 10.985 415 2HB CYS 54 2HB CYS 54 5.098 -6.196 11.541 416 HG CYS 54 HG CYS 54 6.915 -5.531 13.614 417 H ASN 55 H ASN 55 9.268 -4.785 10.547 418 HA ASN 55 HA ASN 55 10.033 -6.923 12.426 419 1HB ASN 55 1HB ASN 55 12.055 -7.266 11.286 420 2HB ASN 55 2HB ASN 55 10.877 -7.070 9.992 421 1HD2 ASN 55 1HD2 ASN 55 10.984 -5.308 8.664 422 2HD2 ASN 55 2HD2 ASN 55 12.300 -4.189 8.681 423 H MET 56 H MET 56 9.344 -3.871 12.531 424 HA MET 56 HA MET 56 11.780 -2.832 13.733 425 1HB MET 56 1HB MET 56 10.298 -0.776 14.079 426 2HB MET 56 2HB MET 56 10.681 -1.220 12.421 427 1HG MET 56 1HG MET 56 8.525 -2.134 12.074 428 2HG MET 56 2HG MET 56 8.141 -2.047 13.792 429 1HE MET 56 1HE MET 56 8.627 0.122 15.019 430 2HE MET 56 2HE MET 56 9.283 1.489 14.119 431 3HE MET 56 3HE MET 56 7.591 1.491 14.617 432 HA PRO 57 HA PRO 57 10.744 -3.662 17.916 433 1HB PRO 57 1HB PRO 57 11.769 -1.479 19.164 434 2HB PRO 57 2HB PRO 57 12.780 -2.757 18.478 435 1HG PRO 57 1HG PRO 57 12.059 -0.089 17.328 436 2HG PRO 57 2HG PRO 57 13.629 -0.915 17.342 437 1HD PRO 57 1HD PRO 57 12.011 -0.896 15.170 438 2HD PRO 57 2HD PRO 57 13.076 -2.263 15.555 439 H LYS 58 H LYS 58 8.972 -3.456 19.143 440 HA LYS 58 HA LYS 58 6.872 -1.737 18.497 441 1HB LYS 58 1HB LYS 58 6.728 -3.897 19.792 442 2HB LYS 58 2HB LYS 58 7.318 -3.017 21.196 443 1HG LYS 58 1HG LYS 58 5.376 -1.746 21.371 444 2HG LYS 58 2HG LYS 58 4.882 -2.104 19.714 445 1HD LYS 58 1HD LYS 58 4.318 -4.346 20.282 446 2HD LYS 58 2HD LYS 58 5.074 -4.200 21.870 447 1HE LYS 58 1HE LYS 58 2.839 -2.366 21.122 448 2HE LYS 58 2HE LYS 58 2.478 -4.019 21.615 449 1HZ LYS 58 1HZ LYS 58 3.025 -1.827 23.245 450 2HZ LYS 58 2HZ LYS 58 4.315 -2.907 23.425 451 3HZ LYS 58 3HZ LYS 58 2.732 -3.425 23.717 452 HA PRO 59 HA PRO 59 8.313 2.051 20.318 453 1HB PRO 59 1HB PRO 59 6.043 3.475 19.877 454 2HB PRO 59 2HB PRO 59 7.210 3.108 18.601 455 1HG PRO 59 1HG PRO 59 4.623 1.749 19.250 456 2HG PRO 59 2HG PRO 59 5.287 2.193 17.667 457 1HD PRO 59 1HD PRO 59 5.422 -0.327 18.648 458 2HD PRO 59 2HD PRO 59 6.677 0.356 17.594 459 H GLY 60 H GLY 60 7.571 3.579 22.013 460 1HA GLY 60 1HA GLY 60 6.475 2.107 24.239 461 2HA GLY 60 2HA GLY 60 7.086 3.755 24.274 462 H VAL 61 H VAL 61 4.786 3.004 25.638 463 HA VAL 61 HA VAL 61 2.388 3.428 24.237 464 HB VAL 61 HB VAL 61 1.623 4.243 26.631 465 1HG1 VAL 61 1HG1 VAL 61 1.171 2.059 25.394 466 2HG1 VAL 61 2HG1 VAL 61 2.500 1.385 26.340 467 3HG1 VAL 61 3HG1 VAL 61 1.072 2.023 27.154 468 1HG2 VAL 61 1HG2 VAL 61 4.202 4.301 27.191 469 2HG2 VAL 61 2HG2 VAL 61 3.012 3.820 28.400 470 3HG2 VAL 61 3HG2 VAL 61 3.930 2.592 27.528 471 H PHE 62 H PHE 62 4.603 5.660 25.835 472 HA PHE 62 HA PHE 62 3.000 7.962 25.696 473 1HB PHE 62 1HB PHE 62 5.948 7.478 25.934 474 2HB PHE 62 2HB PHE 62 5.353 9.114 25.677 475 HD1 PHE 62 1HD PHE 62 3.708 6.459 27.658 476 HD2 PHE 62 2HD PHE 62 5.900 10.107 27.729 477 HE1 PHE 62 1HE PHE 62 3.267 6.673 30.069 478 HE2 PHE 62 2HE PHE 62 5.464 10.326 30.141 479 HZ PHE 62 HZ PHE 62 4.146 8.608 31.314 480 H ASP 63 H ASP 63 4.800 6.270 23.293 481 HA ASP 63 HA ASP 63 4.751 8.518 21.438 482 1HB ASP 63 1HB ASP 63 6.059 5.836 21.483 483 2HB ASP 63 2HB ASP 63 5.757 6.589 19.920 484 H LEU 64 H LEU 64 2.315 8.425 21.620 485 HA LEU 64 HA LEU 64 0.765 6.350 20.616 486 1HB LEU 64 1HB LEU 64 0.191 9.286 20.274 487 2HB LEU 64 2HB LEU 64 -0.979 7.968 20.296 488 HG LEU 64 HG LEU 64 0.678 8.881 22.649 489 1HD1 LEU 64 1HD1 LEU 64 -2.291 9.157 22.327 490 2HD1 LEU 64 2HD1 LEU 64 -1.179 10.410 21.778 491 3HD1 LEU 64 3HD1 LEU 64 -1.222 9.954 23.481 492 1HD2 LEU 64 1HD2 LEU 64 -0.635 6.431 22.148 493 2HD2 LEU 64 2HD2 LEU 64 -1.605 7.313 23.329 494 3HD2 LEU 64 3HD2 LEU 64 0.100 6.990 23.651 495 H ILE 65 H ILE 65 2.318 9.034 18.909 496 HA ILE 65 HA ILE 65 1.266 8.746 16.388 497 HB ILE 65 HB ILE 65 4.183 9.284 16.948 498 1HG1 ILE 65 1HG1 ILE 65 1.742 11.012 17.202 499 2HG1 ILE 65 2HG1 ILE 65 3.103 10.847 18.306 500 1HG2 ILE 65 1HG2 ILE 65 4.227 10.409 14.865 501 2HG2 ILE 65 2HG2 ILE 65 3.442 8.858 14.576 502 3HG2 ILE 65 3HG2 ILE 65 2.474 10.326 14.703 503 1HD1 ILE 65 1HD1 ILE 65 4.511 12.122 16.860 504 2HD1 ILE 65 2HD1 ILE 65 3.276 12.144 15.600 505 3HD1 ILE 65 3HD1 ILE 65 3.011 13.015 17.111 506 H ASN 66 H ASN 66 4.382 7.302 17.368 507 HA ASN 66 HA ASN 66 4.599 5.598 15.159 508 1HB ASN 66 1HB ASN 66 5.827 5.552 17.907 509 2HB ASN 66 2HB ASN 66 6.178 4.294 16.726 510 1HD2 ASN 66 1HD2 ASN 66 6.502 7.672 17.501 511 2HD2 ASN 66 2HD2 ASN 66 7.746 8.020 16.354 512 H LYS 67 H LYS 67 3.499 4.884 18.470 513 HA LYS 67 HA LYS 67 2.946 2.217 18.269 514 1HB LYS 67 1HB LYS 67 2.600 3.886 20.237 515 2HB LYS 67 2HB LYS 67 0.967 4.039 19.602 516 1HG LYS 67 1HG LYS 67 1.045 2.409 21.391 517 2HG LYS 67 2HG LYS 67 0.640 1.630 19.860 518 1HD LYS 67 1HD LYS 67 2.778 0.677 19.657 519 2HD LYS 67 2HD LYS 67 3.465 1.750 20.879 520 1HE LYS 67 1HE LYS 67 3.174 -0.494 21.771 521 2HE LYS 67 2HE LYS 67 2.115 0.645 22.599 522 1HZ LYS 67 1HZ LYS 67 0.942 -1.386 22.083 523 2HZ LYS 67 2HZ LYS 67 1.312 -1.229 20.440 524 3HZ LYS 67 3HZ LYS 67 0.289 -0.108 21.187 525 H ALA 68 H ALA 68 1.046 4.896 17.011 526 HA ALA 68 HA ALA 68 -1.261 3.439 16.312 527 1HB ALA 68 1HB ALA 68 -1.847 5.324 14.934 528 2HB ALA 68 2HB ALA 68 -1.138 5.909 16.439 529 3HB ALA 68 3HB ALA 68 -0.183 5.907 14.957 530 H LYS 69 H LYS 69 1.676 4.227 14.487 531 HA LYS 69 HA LYS 69 0.806 2.946 12.089 532 1HB LYS 69 1HB LYS 69 3.323 4.185 13.073 533 2HB LYS 69 2HB LYS 69 3.460 3.036 11.748 534 1HG LYS 69 1HG LYS 69 3.234 5.025 10.625 535 2HG LYS 69 2HG LYS 69 1.565 4.454 10.674 536 1HD LYS 69 1HD LYS 69 1.100 5.884 12.577 537 2HD LYS 69 2HD LYS 69 2.787 6.402 12.628 538 1HE LYS 69 1HE LYS 69 1.442 8.097 11.550 539 2HE LYS 69 2HE LYS 69 2.532 7.364 10.374 540 1HZ LYS 69 1HZ LYS 69 0.631 7.273 9.185 541 2HZ LYS 69 2HZ LYS 69 -0.373 7.236 10.545 542 3HZ LYS 69 3HZ LYS 69 0.414 5.828 10.038 543 H TRP 70 H TRP 70 3.115 2.045 14.643 544 HA TRP 70 HA TRP 70 4.078 -0.324 13.766 545 1HB TRP 70 1HB TRP 70 4.403 0.842 16.047 546 2HB TRP 70 2HB TRP 70 3.024 -0.118 16.577 547 HD1 TRP 70 HD TRP 70 6.626 -0.571 15.270 548 HE1 TRP 70 1HE TRP 70 7.496 -2.851 16.087 549 HE3 TRP 70 3HE TRP 70 2.342 -2.351 17.419 550 HZ2 TRP 70 2HZ TRP 70 6.498 -5.107 17.460 551 HZ3 TRP 70 3HZ TRP 70 2.385 -4.579 18.462 552 HH2 TRP 70 HH TRP 70 4.420 -5.927 18.481 553 H ASP 71 H ASP 71 0.933 0.111 15.368 554 HA ASP 71 HA ASP 71 0.168 -2.612 15.183 555 1HB ASP 71 1HB ASP 71 -1.282 -0.046 15.736 556 2HB ASP 71 2HB ASP 71 -2.198 -1.526 15.463 557 H ALA 72 H ALA 72 0.011 0.073 12.987 558 HA ALA 72 HA ALA 72 -1.943 -1.067 11.232 559 1HB ALA 72 1HB ALA 72 -0.003 1.212 10.932 560 2HB ALA 72 2HB ALA 72 -1.109 0.718 9.650 561 3HB ALA 72 3HB ALA 72 -1.745 1.288 11.193 562 H TRP 73 H TRP 73 1.596 -0.703 11.082 563 HA TRP 73 HA TRP 73 1.825 -2.215 8.665 564 1HB TRP 73 1HB TRP 73 3.464 -0.478 9.310 565 2HB TRP 73 2HB TRP 73 3.962 -1.473 10.676 566 HD1 TRP 73 HD TRP 73 3.323 -3.479 7.587 567 HE1 TRP 73 1HE TRP 73 5.558 -4.197 6.531 568 HE3 TRP 73 3HE TRP 73 6.490 -0.530 10.308 569 HZ2 TRP 73 2HZ TRP 73 8.301 -3.593 6.815 570 HZ3 TRP 73 3HZ TRP 73 8.905 -0.660 9.855 571 HH2 TRP 73 HH TRP 73 9.790 -2.161 8.144 572 H ASN 74 H ASN 74 1.916 -2.943 12.073 573 HA ASN 74 HA ASN 74 3.134 -5.501 11.856 574 1HB ASN 74 1HB ASN 74 3.175 -4.417 13.988 575 2HB ASN 74 2HB ASN 74 1.423 -4.238 14.000 576 1HD2 ASN 74 1HD2 ASN 74 1.180 -5.310 15.936 577 2HD2 ASN 74 2HD2 ASN 74 1.409 -7.015 16.093 578 H ALA 75 H ALA 75 -0.247 -4.441 12.123 579 HA ALA 75 HA ALA 75 -1.608 -6.775 12.280 580 1HB ALA 75 1HB ALA 75 -2.948 -5.308 10.273 581 2HB ALA 75 2HB ALA 75 -3.288 -5.355 12.003 582 3HB ALA 75 3HB ALA 75 -2.185 -4.142 11.354 583 H LEU 76 H LEU 76 0.170 -5.597 9.512 584 HA LEU 76 HA LEU 76 -0.886 -7.291 7.542 585 1HB LEU 76 1HB LEU 76 1.727 -5.874 7.884 586 2HB LEU 76 2HB LEU 76 1.486 -6.981 6.533 587 HG LEU 76 HG LEU 76 1.116 -4.465 6.150 588 1HD1 LEU 76 1HD1 LEU 76 0.474 -5.650 4.333 589 2HD1 LEU 76 2HD1 LEU 76 -1.128 -5.151 4.875 590 3HD1 LEU 76 3HD1 LEU 76 -0.526 -6.761 5.270 591 1HD2 LEU 76 1HD2 LEU 76 -1.518 -5.146 7.452 592 2HD2 LEU 76 2HD2 LEU 76 -1.076 -3.616 6.693 593 3HD2 LEU 76 3HD2 LEU 76 -0.268 -4.133 8.173 594 H GLY 77 H GLY 77 2.041 -7.684 9.544 595 1HA GLY 77 1HA GLY 77 2.918 -9.642 10.432 596 2HA GLY 77 2HA GLY 77 1.624 -10.540 9.652 597 H SER 78 H SER 78 2.521 -12.054 8.421 598 HA SER 78 HA SER 78 5.054 -11.581 7.093 599 1HB SER 78 1HB SER 78 3.277 -13.975 7.460 600 2HB SER 78 2HB SER 78 4.566 -14.001 6.258 601 HG SER 78 HG SER 78 6.010 -13.429 7.995 602 H LEU 79 H LEU 79 2.447 -10.235 6.317 603 HA LEU 79 HA LEU 79 1.482 -11.169 3.888 604 1HB LEU 79 1HB LEU 79 0.644 -9.241 5.331 605 2HB LEU 79 2HB LEU 79 1.850 -8.252 4.511 606 HG LEU 79 HG LEU 79 -0.375 -7.955 3.547 607 1HD1 LEU 79 1HD1 LEU 79 1.813 -7.950 2.192 608 2HD1 LEU 79 2HD1 LEU 79 0.282 -8.010 1.320 609 3HD1 LEU 79 3HD1 LEU 79 1.232 -9.479 1.532 610 1HD2 LEU 79 1HD2 LEU 79 -0.619 -10.437 2.146 611 2HD2 LEU 79 2HD2 LEU 79 -1.770 -9.650 3.226 612 3HD2 LEU 79 3HD2 LEU 79 -0.551 -10.744 3.882 613 HA PRO 80 HA PRO 80 5.091 -10.717 1.323 614 1HB PRO 80 1HB PRO 80 3.892 -11.484 -0.989 615 2HB PRO 80 2HB PRO 80 4.383 -12.630 0.264 616 1HG PRO 80 1HG PRO 80 1.678 -11.477 -0.293 617 2HG PRO 80 2HG PRO 80 2.122 -13.146 0.106 618 1HD PRO 80 1HD PRO 80 1.102 -11.432 1.938 619 2HD PRO 80 2HD PRO 80 2.270 -12.700 2.363 620 H LYS 81 H LYS 81 5.843 -9.296 -0.260 621 HA LYS 81 HA LYS 81 4.695 -6.758 -0.363 622 1HB LYS 81 1HB LYS 81 6.536 -7.838 -2.489 623 2HB LYS 81 2HB LYS 81 6.396 -6.183 -1.911 624 1HG LYS 81 1HG LYS 81 7.124 -7.309 0.371 625 2HG LYS 81 2HG LYS 81 7.827 -8.495 -0.731 626 1HD LYS 81 1HD LYS 81 9.121 -6.792 -1.826 627 2HD LYS 81 2HD LYS 81 8.309 -5.522 -0.907 628 1HE LYS 81 1HE LYS 81 10.219 -5.717 0.325 629 2HE LYS 81 2HE LYS 81 9.225 -6.923 1.141 630 1HZ LYS 81 1HZ LYS 81 11.305 -7.417 -0.917 631 2HZ LYS 81 2HZ LYS 81 10.254 -8.608 -0.336 632 3HZ LYS 81 3HZ LYS 81 11.354 -7.866 0.713 633 H GLU 82 H GLU 82 4.675 -9.340 -2.810 634 HA GLU 82 HA GLU 82 3.386 -8.126 -4.880 635 1HB GLU 82 1HB GLU 82 2.687 -10.262 -5.617 636 2HB GLU 82 2HB GLU 82 4.180 -10.531 -4.728 637 1HG GLU 82 1HG GLU 82 2.958 -11.313 -2.811 638 2HG GLU 82 2HG GLU 82 1.424 -10.919 -3.586 639 H ALA 83 H ALA 83 1.907 -9.433 -1.946 640 HA ALA 83 HA ALA 83 -0.757 -8.703 -2.799 641 1HB ALA 83 1HB ALA 83 -0.116 -9.477 0.009 642 2HB ALA 83 2HB ALA 83 -1.535 -9.855 -0.968 643 3HB ALA 83 3HB ALA 83 -0.010 -10.687 -1.270 644 H ALA 84 H ALA 84 1.685 -7.509 -0.552 645 HA ALA 84 HA ALA 84 0.212 -5.619 0.836 646 1HB ALA 84 1HB ALA 84 2.445 -6.120 1.512 647 2HB ALA 84 2HB ALA 84 3.097 -5.556 -0.028 648 3HB ALA 84 3HB ALA 84 2.381 -4.406 1.101 649 H ARG 85 H ARG 85 1.906 -5.263 -2.267 650 HA ARG 85 HA ARG 85 1.331 -2.541 -2.656 651 1HB ARG 85 1HB ARG 85 1.961 -4.785 -4.564 652 2HB ARG 85 2HB ARG 85 1.673 -3.143 -5.124 653 1HG ARG 85 1HG ARG 85 3.513 -2.421 -3.550 654 2HG ARG 85 2HG ARG 85 3.886 -4.135 -3.354 655 1HD ARG 85 1HD ARG 85 3.681 -2.924 -6.083 656 2HD ARG 85 2HD ARG 85 5.159 -2.749 -5.138 657 HE ARG 85 HE ARG 85 4.173 -5.146 -6.402 658 1HH1 ARG 85 2HH1 ARG 85 6.266 -3.818 -3.958 659 2HH1 ARG 85 1HH1 ARG 85 7.302 -5.206 -3.906 660 1HH2 ARG 85 2HH2 ARG 85 5.530 -6.979 -6.344 661 2HH2 ARG 85 1HH2 ARG 85 6.883 -7.003 -5.265 662 H GLN 86 H GLN 86 -0.477 -5.460 -3.431 663 HA GLN 86 HA GLN 86 -2.459 -4.222 -5.025 664 1HB GLN 86 1HB GLN 86 -1.852 -6.759 -4.641 665 2HB GLN 86 2HB GLN 86 -3.076 -6.642 -3.384 666 1HG GLN 86 1HG GLN 86 -3.423 -6.168 -6.331 667 2HG GLN 86 2HG GLN 86 -4.121 -7.459 -5.354 668 1HE2 GLN 86 1HE2 GLN 86 -4.746 -4.581 -6.802 669 2HE2 GLN 86 2HE2 GLN 86 -6.114 -4.079 -5.874 670 H ASN 87 H ASN 87 -2.187 -4.838 -1.566 671 HA ASN 87 HA ASN 87 -4.826 -4.098 -0.878 672 1HB ASN 87 1HB ASN 87 -2.253 -4.391 0.627 673 2HB ASN 87 2HB ASN 87 -3.628 -3.625 1.416 674 1HD2 ASN 87 1HD2 ASN 87 -2.167 -6.540 0.524 675 2HD2 ASN 87 2HD2 ASN 87 -3.433 -7.608 1.017 676 H TYR 88 H TYR 88 -1.844 -2.277 -1.266 677 HA TYR 88 HA TYR 88 -2.770 0.147 -0.136 678 1HB TYR 88 1HB TYR 88 -0.368 -0.432 -0.527 679 2HB TYR 88 2HB TYR 88 -0.637 -0.199 -2.251 680 HD1 TYR 88 1HD TYR 88 0.510 1.336 0.663 681 HD2 TYR 88 2HD TYR 88 -1.759 2.155 -2.842 682 HE1 TYR 88 1HE TYR 88 0.991 3.734 0.918 683 HE2 TYR 88 2HE TYR 88 -1.283 4.555 -2.597 684 HH TYR 88 HH TYR 88 1.091 5.785 -0.800 685 H VAL 89 H VAL 89 -2.274 -0.725 -3.563 686 HA VAL 89 HA VAL 89 -3.524 1.523 -4.652 687 HB VAL 89 HB VAL 89 -3.842 0.096 -6.703 688 1HG1 VAL 89 1HG1 VAL 89 -1.729 0.560 -7.290 689 2HG1 VAL 89 2HG1 VAL 89 -1.589 1.234 -5.665 690 3HG1 VAL 89 3HG1 VAL 89 -1.051 -0.415 -5.986 691 1HG2 VAL 89 1HG2 VAL 89 -2.290 -2.094 -6.263 692 2HG2 VAL 89 2HG2 VAL 89 -3.175 -1.981 -4.742 693 3HG2 VAL 89 3HG2 VAL 89 -4.054 -2.098 -6.267 694 H ASP 90 H ASP 90 -4.848 -1.676 -3.874 695 HA ASP 90 HA ASP 90 -7.384 -1.458 -4.899 696 1HB ASP 90 1HB ASP 90 -6.985 -3.531 -3.972 697 2HB ASP 90 2HB ASP 90 -6.247 -2.859 -2.521 698 H LEU 91 H LEU 91 -6.065 0.066 -2.038 699 HA LEU 91 HA LEU 91 -8.595 0.976 -1.041 700 1HB LEU 91 1HB LEU 91 -6.694 0.608 0.443 701 2HB LEU 91 2HB LEU 91 -5.786 1.865 -0.396 702 HG LEU 91 HG LEU 91 -6.687 2.578 1.798 703 1HD1 LEU 91 1HD1 LEU 91 -7.218 4.718 1.098 704 2HD1 LEU 91 2HD1 LEU 91 -8.084 4.149 -0.329 705 3HD1 LEU 91 3HD1 LEU 91 -6.322 4.076 -0.279 706 1HD2 LEU 91 1HD2 LEU 91 -8.741 1.325 1.857 707 2HD2 LEU 91 2HD2 LEU 91 -9.344 2.171 0.431 708 3HD2 LEU 91 3HD2 LEU 91 -9.115 3.046 1.946 709 H VAL 92 H VAL 92 -5.787 2.753 -2.348 710 HA VAL 92 HA VAL 92 -6.824 5.249 -2.588 711 HB VAL 92 HB VAL 92 -5.144 3.904 -4.709 712 1HG1 VAL 92 1HG1 VAL 92 -6.327 6.378 -4.796 713 2HG1 VAL 92 2HG1 VAL 92 -4.718 6.738 -4.167 714 3HG1 VAL 92 3HG1 VAL 92 -4.895 5.891 -5.704 715 1HG2 VAL 92 1HG2 VAL 92 -4.549 4.840 -1.985 716 2HG2 VAL 92 2HG2 VAL 92 -3.714 3.652 -2.986 717 3HG2 VAL 92 3HG2 VAL 92 -3.418 5.374 -3.229 718 H SER 93 H SER 93 -7.482 2.498 -4.678 719 HA SER 93 HA SER 93 -8.904 3.960 -6.662 720 1HB SER 93 1HB SER 93 -7.900 1.732 -7.080 721 2HB SER 93 2HB SER 93 -9.081 1.013 -5.986 722 HG SER 93 HG SER 93 -9.425 1.245 -8.479 723 H SER 94 H SER 94 -9.794 2.377 -3.665 724 HA SER 94 HA SER 94 -12.574 2.298 -4.014 725 1HB SER 94 1HB SER 94 -11.661 1.061 -2.202 726 2HB SER 94 2HB SER 94 -10.850 2.482 -1.543 727 HG SER 94 HG SER 94 -12.835 3.309 -0.943 728 H LEU 95 H LEU 95 -10.451 4.841 -2.789 729 HA LEU 95 HA LEU 95 -12.484 6.609 -1.949 730 1HB LEU 95 1HB LEU 95 -9.660 7.155 -2.849 731 2HB LEU 95 2HB LEU 95 -10.713 8.343 -2.085 732 HG LEU 95 HG LEU 95 -9.945 5.772 -0.728 733 1HD1 LEU 95 1HD1 LEU 95 -8.235 7.960 -1.367 734 2HD1 LEU 95 2HD1 LEU 95 -7.879 6.511 -0.428 735 3HD1 LEU 95 3HD1 LEU 95 -8.521 7.944 0.374 736 1HD2 LEU 95 1HD2 LEU 95 -10.869 8.429 0.359 737 2HD2 LEU 95 2HD2 LEU 95 -10.579 6.952 1.279 738 3HD2 LEU 95 3HD2 LEU 95 -11.904 7.021 0.115 739 H SER 96 H SER 96 -10.694 6.319 -4.996 740 HA SER 96 HA SER 96 -12.074 8.518 -6.222 741 1HB SER 96 1HB SER 96 -10.465 6.359 -7.599 742 2HB SER 96 2HB SER 96 -10.833 7.972 -8.208 743 HG SER 96 HG SER 96 -8.938 8.386 -7.359 744 HA PRO 97 HA PRO 97 -15.698 6.352 -7.498 745 1HB PRO 97 1HB PRO 97 -16.514 8.071 -9.434 746 2HB PRO 97 2HB PRO 97 -16.667 8.425 -7.709 747 1HG PRO 97 1HG PRO 97 -14.585 9.344 -9.653 748 2HG PRO 97 2HG PRO 97 -15.422 10.267 -8.392 749 1HD PRO 97 1HD PRO 97 -12.912 9.304 -8.069 750 2HD PRO 97 2HD PRO 97 -14.055 9.461 -6.720 751 H SER 98 H SER 98 -13.607 7.635 -10.084 752 HA SER 98 HA SER 98 -13.351 5.091 -11.335 753 1HB SER 98 1HB SER 98 -14.511 5.624 -13.444 754 2HB SER 98 2HB SER 98 -15.632 5.597 -12.083 755 HG SER 98 HG SER 98 -15.998 7.658 -12.344 756 H LEU 99 H LEU 99 -11.487 5.057 -12.424 757 HA LEU 99 HA LEU 99 -10.188 7.626 -12.998 758 1HB LEU 99 1HB LEU 99 -9.168 4.870 -12.436 759 2HB LEU 99 2HB LEU 99 -8.151 6.044 -13.268 760 HG LEU 99 HG LEU 99 -7.811 5.804 -10.769 761 1HD1 LEU 99 1HD1 LEU 99 -7.858 8.383 -10.485 762 2HD1 LEU 99 2HD1 LEU 99 -8.321 8.385 -12.187 763 3HD1 LEU 99 3HD1 LEU 99 -6.792 7.660 -11.690 764 1HD2 LEU 99 1HD2 LEU 99 -10.181 7.584 -10.443 765 2HD2 LEU 99 2HD2 LEU 99 -9.364 6.565 -9.257 766 3HD2 LEU 99 3HD2 LEU 99 -10.413 5.836 -10.474 767 H GLU 100 H GLU 100 -10.319 8.300 -15.027 768 HA GLU 100 HA GLU 100 -10.163 6.297 -17.182 769 1HB GLU 100 1HB GLU 100 -11.677 7.626 -18.519 770 2HB GLU 100 2HB GLU 100 -12.435 7.263 -16.975 771 1HG GLU 100 1HG GLU 100 -10.946 9.818 -17.246 772 2HG GLU 100 2HG GLU 100 -12.519 9.672 -18.028 773 H SER 101 H SER 101 -7.915 7.536 -16.083 774 HA SER 101 HA SER 101 -6.891 8.887 -18.438 775 1HB SER 101 1HB SER 101 -6.919 10.202 -15.713 776 2HB SER 101 2HB SER 101 -5.915 10.746 -17.056 777 HG SER 101 HG SER 101 -8.702 10.847 -16.755 778 H SER 102 H SER 102 -4.873 8.250 -18.854 779 HA SER 102 HA SER 102 -3.598 6.234 -17.451 780 1HB SER 102 1HB SER 102 -2.423 8.298 -19.326 781 2HB SER 102 2HB SER 102 -1.559 6.866 -18.767 782 HG SER 102 HG SER 102 -2.934 6.913 -20.868 783 H SER 103 H SER 103 -3.152 9.732 -17.229 784 HA SER 103 HA SER 103 -2.032 11.048 -15.745 785 1HB SER 103 1HB SER 103 -2.897 8.730 -14.033 786 2HB SER 103 2HB SER 103 -1.974 10.066 -13.348 787 HG SER 103 HG SER 103 -4.599 9.967 -14.154 788 H GLN 104 H GLN 104 -0.290 9.861 -17.381 789 HA GLN 104 HA GLN 104 2.100 9.793 -15.845 790 1HB GLN 104 1HB GLN 104 2.810 7.518 -16.303 791 2HB GLN 104 2HB GLN 104 1.298 7.500 -15.406 792 1HG GLN 104 1HG GLN 104 0.065 7.044 -17.443 793 2HG GLN 104 2HG GLN 104 1.556 7.124 -18.381 794 1HE2 GLN 104 1HE2 GLN 104 -0.542 5.144 -16.665 795 2HE2 GLN 104 2HE2 GLN 104 0.438 3.722 -16.607 796 H VAL 105 H VAL 105 3.929 10.060 -17.106 797 HA VAL 105 HA VAL 105 3.978 9.608 -19.914 798 HB VAL 105 HB VAL 105 2.510 11.626 -19.819 799 1HG1 VAL 105 1HG1 VAL 105 4.975 13.111 -18.939 800 2HG1 VAL 105 2HG1 VAL 105 3.334 13.734 -19.122 801 3HG1 VAL 105 3HG1 VAL 105 3.709 12.602 -17.821 802 1HG2 VAL 105 1HG2 VAL 105 4.325 10.996 -21.636 803 2HG2 VAL 105 2HG2 VAL 105 3.393 12.489 -21.742 804 3HG2 VAL 105 3HG2 VAL 105 5.037 12.519 -21.105 805 H GLU 106 H GLU 106 6.038 9.466 -20.585 806 HA GLU 106 HA GLU 106 8.123 10.667 -18.884 807 1HB GLU 106 1HB GLU 106 9.529 8.731 -19.279 808 2HB GLU 106 2HB GLU 106 7.996 8.218 -18.588 809 1HG GLU 106 1HG GLU 106 8.703 8.101 -21.511 810 2HG GLU 106 2HG GLU 106 8.774 6.743 -20.388 811 HA PRO 107 HA PRO 107 9.572 12.635 -22.547 812 1HB PRO 107 1HB PRO 107 12.123 13.142 -21.769 813 2HB PRO 107 2HB PRO 107 10.733 14.040 -21.147 814 1HG PRO 107 1HG PRO 107 12.233 11.770 -19.899 815 2HG PRO 107 2HG PRO 107 11.639 13.264 -19.151 816 1HD PRO 107 1HD PRO 107 10.340 10.900 -18.914 817 2HD PRO 107 2HD PRO 107 9.489 12.458 -18.950 818 H GLY 108 H GLY 108 9.559 10.995 -24.094 819 1HA GLY 108 1HA GLY 108 11.593 10.265 -25.550 820 2HA GLY 108 2HA GLY 108 11.880 9.200 -24.183 821 H THR 109 H THR 109 11.023 7.236 -24.285 822 HA THR 109 HA THR 109 9.337 6.513 -26.491 823 HB THR 109 HB THR 109 10.112 4.800 -24.125 824 HG1 THR 109 1HG THR 109 11.429 5.083 -26.640 825 1HG2 THR 109 1HG2 THR 109 8.680 3.391 -25.135 826 2HG2 THR 109 2HG2 THR 109 9.957 3.194 -26.336 827 3HG2 THR 109 3HG2 THR 109 8.648 4.341 -26.620 828 H ASP 110 H ASP 110 7.226 5.740 -26.432 829 HA ASP 110 HA ASP 110 5.671 6.657 -24.122 830 1HB ASP 110 1HB ASP 110 4.710 7.631 -25.986 831 2HB ASP 110 2HB ASP 110 5.063 6.250 -27.020 832 H SER 111 H SER 111 5.332 5.135 -22.643 833 HA SER 111 HA SER 111 5.601 2.411 -22.906 834 1HB SER 111 1HB SER 111 5.267 3.820 -20.776 835 2HB SER 111 2HB SER 111 3.539 3.612 -21.064 836 HG SER 111 HG SER 111 5.149 1.335 -21.130 837 H GLY 112 H GLY 112 2.562 4.267 -23.086 838 1HA GLY 112 1HA GLY 112 1.098 3.608 -25.006 839 2HA GLY 112 2HA GLY 112 1.369 1.952 -24.483 840 HA PRO 113 HA PRO 113 -2.436 3.937 -22.441 841 1HB PRO 113 1HB PRO 113 -4.350 2.599 -23.825 842 2HB PRO 113 2HB PRO 113 -3.708 4.163 -24.341 843 1HG PRO 113 1HG PRO 113 -3.001 1.416 -25.298 844 2HG PRO 113 2HG PRO 113 -3.263 2.895 -26.239 845 1HD PRO 113 1HD PRO 113 -0.790 1.970 -25.637 846 2HD PRO 113 2HD PRO 113 -1.149 3.701 -25.796 847 H SER 114 H SER 114 -1.660 0.667 -23.505 848 HA SER 114 HA SER 114 -3.322 -0.694 -21.662 849 1HB SER 114 1HB SER 114 -0.771 -1.673 -22.966 850 2HB SER 114 2HB SER 114 -2.021 -2.679 -22.235 851 HG SER 114 HG SER 114 -2.787 -0.893 -24.239 852 H SER 115 H SER 115 -3.002 -1.338 -19.603 853 HA SER 115 HA SER 115 -0.930 -0.072 -18.091 854 1HB SER 115 1HB SER 115 -3.372 -0.695 -17.381 855 2HB SER 115 2HB SER 115 -2.660 -2.257 -16.979 856 HG SER 115 HG SER 115 -1.271 -1.219 -15.553 857 H GLY 116 H GLY 116 -1.794 -3.514 -18.511 858 1HA GLY 116 1HA GLY 116 0.700 -4.480 -19.171 859 2HA GLY 116 2HA GLY 116 0.679 -4.428 -17.415 Start of MODEL 16 1 1H GLY 1 H GLY 1 -26.643 -28.742 -0.029 2 1HA GLY 1 1HA GLY 1 -24.843 -26.820 0.973 3 2HA GLY 1 2HA GLY 1 -24.344 -27.270 -0.651 4 H SER 2 H SER 2 -25.140 -26.072 -2.236 5 HA SER 2 HA SER 2 -26.378 -24.509 -3.339 6 1HB SER 2 1HB SER 2 -27.954 -26.598 -3.062 7 2HB SER 2 2HB SER 2 -28.850 -25.527 -1.985 8 HG SER 2 HG SER 2 -28.733 -23.996 -3.843 9 H SER 3 H SER 3 -25.241 -23.533 -1.019 10 HA SER 3 HA SER 3 -27.279 -21.597 -0.145 11 1HB SER 3 1HB SER 3 -26.439 -21.626 2.099 12 2HB SER 3 2HB SER 3 -26.716 -23.304 1.632 13 HG SER 3 HG SER 3 -24.302 -21.927 2.000 14 H GLY 4 H GLY 4 -26.745 -19.656 -0.881 15 1HA GLY 4 1HA GLY 4 -25.477 -17.735 -1.142 16 2HA GLY 4 2HA GLY 4 -24.121 -18.571 -0.401 17 H SER 5 H SER 5 -25.193 -17.192 -3.192 18 HA SER 5 HA SER 5 -24.390 -18.893 -5.237 19 1HB SER 5 1HB SER 5 -24.248 -16.933 -6.637 20 2HB SER 5 2HB SER 5 -25.596 -16.712 -5.522 21 HG SER 5 HG SER 5 -23.519 -15.127 -5.876 22 H SER 6 H SER 6 -22.493 -19.741 -5.748 23 HA SER 6 HA SER 6 -20.048 -18.367 -4.838 24 1HB SER 6 1HB SER 6 -20.511 -20.556 -3.714 25 2HB SER 6 2HB SER 6 -20.392 -21.340 -5.289 26 HG SER 6 HG SER 6 -18.320 -19.731 -4.230 27 H GLY 7 H GLY 7 -18.745 -17.651 -6.386 28 1HA GLY 7 1HA GLY 7 -17.719 -18.887 -8.547 29 2HA GLY 7 2HA GLY 7 -19.278 -18.343 -9.148 30 H MET 8 H MET 8 -16.380 -17.585 -9.700 31 HA MET 8 HA MET 8 -16.198 -14.836 -8.867 32 1HB MET 8 1HB MET 8 -14.566 -16.512 -10.773 33 2HB MET 8 2HB MET 8 -14.222 -14.819 -10.448 34 1HG MET 8 1HG MET 8 -14.362 -16.882 -8.274 35 2HG MET 8 2HG MET 8 -12.880 -16.527 -9.159 36 1HE MET 8 1HE MET 8 -11.338 -15.550 -8.299 37 2HE MET 8 2HE MET 8 -11.338 -13.801 -8.070 38 3HE MET 8 3HE MET 8 -11.366 -14.875 -6.670 39 H ASN 9 H ASN 9 -16.985 -13.107 -9.880 40 HA ASN 9 HA ASN 9 -18.295 -13.487 -12.465 41 1HB ASN 9 1HB ASN 9 -18.433 -11.213 -10.474 42 2HB ASN 9 2HB ASN 9 -19.322 -11.266 -11.993 43 1HD2 ASN 9 1HD2 ASN 9 -18.991 -12.640 -8.813 44 2HD2 ASN 9 2HD2 ASN 9 -20.526 -13.432 -8.779 45 H ARG 10 H ARG 10 -15.809 -11.525 -10.911 46 HA ARG 10 HA ARG 10 -15.099 -10.412 -13.541 47 1HB ARG 10 1HB ARG 10 -14.515 -9.407 -10.753 48 2HB ARG 10 2HB ARG 10 -13.831 -8.703 -12.212 49 1HG ARG 10 1HG ARG 10 -16.789 -8.973 -11.965 50 2HG ARG 10 2HG ARG 10 -15.954 -7.670 -11.117 51 1HD ARG 10 1HD ARG 10 -15.015 -6.874 -13.204 52 2HD ARG 10 2HD ARG 10 -15.743 -8.224 -14.074 53 HE ARG 10 HE ARG 10 -17.865 -7.001 -12.915 54 1HH1 ARG 10 2HH1 ARG 10 -15.253 -5.892 -14.932 55 2HH1 ARG 10 1HH1 ARG 10 -16.183 -4.628 -15.665 56 1HH2 ARG 10 2HH2 ARG 10 -19.100 -5.339 -13.872 57 2HH2 ARG 10 1HH2 ARG 10 -18.371 -4.313 -15.061 58 H THR 11 H THR 11 -13.347 -11.188 -14.496 59 HA THR 11 HA THR 11 -11.749 -13.218 -13.545 60 HB THR 11 HB THR 11 -10.722 -11.124 -15.458 61 HG1 THR 11 1HG THR 11 -12.098 -11.827 -16.924 62 1HG2 THR 11 1HG2 THR 11 -8.997 -12.560 -15.467 63 2HG2 THR 11 2HG2 THR 11 -10.057 -13.621 -16.396 64 3HG2 THR 11 3HG2 THR 11 -9.925 -13.816 -14.649 65 H ALA 12 H ALA 12 -9.913 -13.383 -12.365 66 HA ALA 12 HA ALA 12 -9.228 -11.710 -10.371 67 1HB ALA 12 1HB ALA 12 -7.469 -13.533 -11.984 68 2HB ALA 12 2HB ALA 12 -6.873 -12.662 -10.571 69 3HB ALA 12 3HB ALA 12 -8.195 -13.816 -10.402 70 H MET 13 H MET 13 -7.646 -10.099 -9.997 71 HA MET 13 HA MET 13 -6.388 -8.847 -12.303 72 1HB MET 13 1HB MET 13 -8.587 -7.613 -10.697 73 2HB MET 13 2HB MET 13 -7.297 -6.583 -11.304 74 1HG MET 13 1HG MET 13 -7.771 -7.437 -13.587 75 2HG MET 13 2HG MET 13 -9.153 -8.306 -12.924 76 1HE MET 13 1HE MET 13 -11.095 -7.677 -13.526 77 2HE MET 13 2HE MET 13 -11.862 -6.089 -13.486 78 3HE MET 13 3HE MET 13 -10.873 -6.557 -14.870 79 H ARG 14 H ARG 14 -4.604 -7.578 -11.789 80 HA ARG 14 HA ARG 14 -3.918 -7.267 -8.962 81 1HB ARG 14 1HB ARG 14 -2.333 -8.801 -11.003 82 2HB ARG 14 2HB ARG 14 -1.539 -8.039 -9.631 83 1HG ARG 14 1HG ARG 14 -3.831 -9.949 -9.302 84 2HG ARG 14 2HG ARG 14 -2.151 -10.482 -9.391 85 1HD ARG 14 1HD ARG 14 -2.869 -8.316 -7.477 86 2HD ARG 14 2HD ARG 14 -3.311 -9.976 -7.079 87 HE ARG 14 HE ARG 14 -0.713 -8.834 -6.963 88 1HH1 ARG 14 2HH1 ARG 14 -2.414 -11.784 -7.682 89 2HH1 ARG 14 1HH1 ARG 14 -1.078 -12.808 -7.271 90 1HH2 ARG 14 2HH2 ARG 14 1.054 -10.171 -6.420 91 2HH2 ARG 14 1HH2 ARG 14 0.894 -11.889 -6.552 92 H ALA 15 H ALA 15 -1.984 -5.857 -8.669 93 HA ALA 15 HA ALA 15 -1.903 -3.806 -10.784 94 1HB ALA 15 1HB ALA 15 -1.825 -3.605 -7.800 95 2HB ALA 15 2HB ALA 15 -1.131 -2.330 -8.802 96 3HB ALA 15 3HB ALA 15 -2.840 -2.739 -8.954 97 H SER 16 H SER 16 0.124 -2.611 -11.000 98 HA SER 16 HA SER 16 2.453 -4.315 -10.397 99 1HB SER 16 1HB SER 16 3.433 -3.711 -12.457 100 2HB SER 16 2HB SER 16 1.737 -3.999 -12.848 101 HG SER 16 HG SER 16 3.138 -1.806 -13.270 102 H GLN 17 H GLN 17 4.560 -2.896 -10.638 103 HA GLN 17 HA GLN 17 4.773 -1.261 -8.450 104 1HB GLN 17 1HB GLN 17 6.660 -2.213 -9.806 105 2HB GLN 17 2HB GLN 17 6.397 -0.926 -10.975 106 1HG GLN 17 1HG GLN 17 6.945 -0.346 -8.086 107 2HG GLN 17 2HG GLN 17 8.243 -0.611 -9.249 108 1HE2 GLN 17 1HE2 GLN 17 5.642 1.481 -8.277 109 2HE2 GLN 17 2HE2 GLN 17 6.115 2.846 -9.224 110 H LYS 18 H LYS 18 4.815 0.007 -11.785 111 HA LYS 18 HA LYS 18 4.574 2.662 -11.312 112 1HB LYS 18 1HB LYS 18 4.572 1.287 -13.548 113 2HB LYS 18 2HB LYS 18 2.827 1.473 -13.434 114 1HG LYS 18 1HG LYS 18 2.997 3.847 -13.516 115 2HG LYS 18 2HG LYS 18 4.754 3.781 -13.356 116 1HD LYS 18 1HD LYS 18 3.370 2.435 -15.648 117 2HD LYS 18 2HD LYS 18 3.725 4.163 -15.697 118 1HE LYS 18 1HE LYS 18 6.027 3.814 -15.644 119 2HE LYS 18 2HE LYS 18 5.860 2.177 -15.011 120 1HZ LYS 18 1HZ LYS 18 4.620 2.545 -17.577 121 2HZ LYS 18 2HZ LYS 18 5.680 1.336 -17.053 122 3HZ LYS 18 3HZ LYS 18 6.290 2.815 -17.603 123 H ASP 19 H ASP 19 1.913 0.324 -11.340 124 HA ASP 19 HA ASP 19 -0.191 2.135 -10.974 125 1HB ASP 19 1HB ASP 19 0.190 -0.783 -10.485 126 2HB ASP 19 2HB ASP 19 -1.218 -0.001 -9.772 127 H PHE 20 H PHE 20 1.971 0.586 -8.670 128 HA PHE 20 HA PHE 20 0.596 1.311 -6.320 129 1HB PHE 20 1HB PHE 20 2.311 -0.398 -6.268 130 2HB PHE 20 2HB PHE 20 3.531 0.759 -6.789 131 HD1 PHE 20 1HD PHE 20 4.438 2.391 -5.253 132 HD2 PHE 20 2HD PHE 20 1.491 -0.413 -3.998 133 HE1 PHE 20 1HE PHE 20 4.943 2.917 -2.903 134 HE2 PHE 20 2HE PHE 20 1.991 0.109 -1.646 135 HZ PHE 20 HZ PHE 20 3.718 1.776 -1.096 136 H GLU 21 H GLU 21 3.516 2.783 -7.751 137 HA GLU 21 HA GLU 21 3.677 4.983 -6.071 138 1HB GLU 21 1HB GLU 21 4.571 4.492 -8.892 139 2HB GLU 21 2HB GLU 21 4.775 6.081 -8.168 140 1HG GLU 21 1HG GLU 21 5.946 4.848 -6.254 141 2HG GLU 21 2HG GLU 21 6.024 3.481 -7.365 142 H ASN 22 H ASN 22 1.548 4.376 -8.744 143 HA ASN 22 HA ASN 22 0.754 7.079 -9.181 144 1HB ASN 22 1HB ASN 22 -0.382 4.407 -9.971 145 2HB ASN 22 2HB ASN 22 -1.260 5.898 -10.300 146 1HD2 ASN 22 1HD2 ASN 22 0.352 3.760 -11.872 147 2HD2 ASN 22 2HD2 ASN 22 1.277 4.719 -12.971 148 H SER 23 H SER 23 -0.795 4.341 -7.510 149 HA SER 23 HA SER 23 -3.065 5.674 -6.611 150 1HB SER 23 1HB SER 23 -1.539 3.396 -5.329 151 2HB SER 23 2HB SER 23 -3.147 3.920 -4.829 152 HG SER 23 HG SER 23 -2.481 3.068 -7.453 153 H MET 24 H MET 24 -0.076 5.038 -4.765 154 HA MET 24 HA MET 24 -0.662 6.447 -2.481 155 1HB MET 24 1HB MET 24 1.809 6.774 -2.247 156 2HB MET 24 2HB MET 24 1.329 5.118 -2.593 157 1HG MET 24 1HG MET 24 2.269 5.125 -4.660 158 2HG MET 24 2HG MET 24 2.016 6.853 -4.891 159 1HE MET 24 1HE MET 24 4.703 8.592 -4.403 160 2HE MET 24 2HE MET 24 5.368 7.352 -5.466 161 3HE MET 24 3HE MET 24 3.673 7.819 -5.608 162 H ASN 25 H ASN 25 0.457 7.680 -5.579 163 HA ASN 25 HA ASN 25 1.053 10.306 -4.767 164 1HB ASN 25 1HB ASN 25 1.720 9.288 -6.949 165 2HB ASN 25 2HB ASN 25 0.045 9.417 -7.477 166 1HD2 ASN 25 1HD2 ASN 25 1.061 10.683 -9.203 167 2HD2 ASN 25 2HD2 ASN 25 1.324 12.370 -8.941 168 H GLN 26 H GLN 26 -1.916 8.907 -6.133 169 HA GLN 26 HA GLN 26 -3.464 11.192 -6.277 170 1HB GLN 26 1HB GLN 26 -4.235 8.341 -5.667 171 2HB GLN 26 2HB GLN 26 -5.421 9.616 -5.908 172 1HG GLN 26 1HG GLN 26 -4.059 9.984 -8.135 173 2HG GLN 26 2HG GLN 26 -3.624 8.297 -7.865 174 1HE2 GLN 26 1HE2 GLN 26 -6.103 7.595 -6.595 175 2HE2 GLN 26 2HE2 GLN 26 -7.307 7.548 -7.833 176 H VAL 27 H VAL 27 -2.893 9.069 -3.506 177 HA VAL 27 HA VAL 27 -4.713 10.092 -1.700 178 HB VAL 27 HB VAL 27 -1.895 9.196 -1.080 179 1HG1 VAL 27 1HG1 VAL 27 -3.281 8.478 1.074 180 2HG1 VAL 27 2HG1 VAL 27 -2.524 10.065 0.926 181 3HG1 VAL 27 3HG1 VAL 27 -4.246 9.873 0.595 182 1HG2 VAL 27 1HG2 VAL 27 -4.085 7.334 -0.583 183 2HG2 VAL 27 2HG2 VAL 27 -3.876 7.730 -2.289 184 3HG2 VAL 27 3HG2 VAL 27 -2.527 7.068 -1.366 185 H LYS 28 H LYS 28 -1.774 11.509 -2.889 186 HA LYS 28 HA LYS 28 -1.782 13.591 -0.851 187 1HB LYS 28 1HB LYS 28 0.059 13.076 -3.193 188 2HB LYS 28 2HB LYS 28 0.251 14.403 -2.055 189 1HG LYS 28 1HG LYS 28 0.680 12.902 -0.257 190 2HG LYS 28 2HG LYS 28 0.237 11.506 -1.244 191 1HD LYS 28 1HD LYS 28 2.167 12.453 -2.792 192 2HD LYS 28 2HD LYS 28 2.718 13.148 -1.266 193 1HE LYS 28 1HE LYS 28 3.743 10.966 -1.682 194 2HE LYS 28 2HE LYS 28 2.722 10.937 -0.245 195 1HZ LYS 28 1HZ LYS 28 2.484 8.991 -1.774 196 2HZ LYS 28 2HZ LYS 28 1.788 10.034 -2.909 197 3HZ LYS 28 3HZ LYS 28 1.037 9.790 -1.413 198 H LEU 29 H LEU 29 -2.709 13.085 -4.163 199 HA LEU 29 HA LEU 29 -2.840 15.766 -5.009 200 1HB LEU 29 1HB LEU 29 -4.014 13.190 -5.895 201 2HB LEU 29 2HB LEU 29 -4.758 14.670 -6.496 202 HG LEU 29 HG LEU 29 -2.810 15.305 -7.654 203 1HD1 LEU 29 1HD1 LEU 29 -1.260 13.034 -6.448 204 2HD1 LEU 29 2HD1 LEU 29 -1.296 14.641 -5.721 205 3HD1 LEU 29 3HD1 LEU 29 -0.658 14.424 -7.351 206 1HD2 LEU 29 1HD2 LEU 29 -2.505 12.413 -8.152 207 2HD2 LEU 29 2HD2 LEU 29 -2.826 13.734 -9.276 208 3HD2 LEU 29 3HD2 LEU 29 -4.138 13.061 -8.306 209 H LEU 30 H LEU 30 -5.143 13.702 -3.319 210 HA LEU 30 HA LEU 30 -7.304 15.562 -3.447 211 1HB LEU 30 1HB LEU 30 -8.447 14.094 -1.954 212 2HB LEU 30 2HB LEU 30 -7.577 13.118 -3.136 213 HG LEU 30 HG LEU 30 -5.758 13.025 -1.236 214 1HD1 LEU 30 1HD1 LEU 30 -7.793 14.454 0.054 215 2HD1 LEU 30 2HD1 LEU 30 -6.336 13.768 0.771 216 3HD1 LEU 30 3HD1 LEU 30 -7.829 12.830 0.739 217 1HD2 LEU 30 1HD2 LEU 30 -8.208 11.429 -1.714 218 2HD2 LEU 30 2HD2 LEU 30 -7.289 11.081 -0.249 219 3HD2 LEU 30 3HD2 LEU 30 -6.510 10.966 -1.828 220 H LYS 31 H LYS 31 -7.457 17.400 -2.365 221 HA LYS 31 HA LYS 31 -5.696 17.998 -0.169 222 1HB LYS 31 1HB LYS 31 -6.493 19.621 -1.984 223 2HB LYS 31 2HB LYS 31 -8.011 19.688 -1.098 224 1HG LYS 31 1HG LYS 31 -7.098 20.835 0.659 225 2HG LYS 31 2HG LYS 31 -5.476 20.199 0.374 226 1HD LYS 31 1HD LYS 31 -5.303 22.422 -0.294 227 2HD LYS 31 2HD LYS 31 -5.568 21.564 -1.814 228 1HE LYS 31 1HE LYS 31 -7.003 23.419 -1.906 229 2HE LYS 31 2HE LYS 31 -8.042 22.063 -1.474 230 1HZ LYS 31 1HZ LYS 31 -6.908 23.471 0.778 231 2HZ LYS 31 2HZ LYS 31 -8.494 22.944 0.518 232 3HZ LYS 31 3HZ LYS 31 -7.965 24.401 -0.160 233 H LYS 32 H LYS 32 -8.596 16.396 -0.402 234 HA LYS 32 HA LYS 32 -9.946 17.377 1.903 235 1HB LYS 32 1HB LYS 32 -10.759 15.867 -0.123 236 2HB LYS 32 2HB LYS 32 -10.326 14.566 0.979 237 1HG LYS 32 1HG LYS 32 -11.779 15.916 2.679 238 2HG LYS 32 2HG LYS 32 -12.476 16.613 1.215 239 1HD LYS 32 1HD LYS 32 -12.664 14.113 0.469 240 2HD LYS 32 2HD LYS 32 -12.554 13.795 2.202 241 1HE LYS 32 1HE LYS 32 -14.464 15.292 2.580 242 2HE LYS 32 2HE LYS 32 -14.578 15.574 0.844 243 1HZ LYS 32 1HZ LYS 32 -15.353 13.461 0.460 244 2HZ LYS 32 2HZ LYS 32 -16.069 13.797 1.955 245 3HZ LYS 32 3HZ LYS 32 -14.687 12.823 1.879 246 H ASP 33 H ASP 33 -10.313 16.146 3.885 247 HA ASP 33 HA ASP 33 -7.948 14.568 4.663 248 1HB ASP 33 1HB ASP 33 -8.159 15.492 6.918 249 2HB ASP 33 2HB ASP 33 -7.961 16.782 5.735 250 HA PRO 34 HA PRO 34 -11.366 11.634 5.183 251 1HB PRO 34 1HB PRO 34 -9.767 9.442 5.120 252 2HB PRO 34 2HB PRO 34 -10.318 10.270 3.660 253 1HG PRO 34 1HG PRO 34 -7.692 10.482 5.081 254 2HG PRO 34 2HG PRO 34 -8.017 10.375 3.341 255 1HD PRO 34 1HD PRO 34 -7.461 12.719 4.577 256 2HD PRO 34 2HD PRO 34 -8.542 12.613 3.173 257 H GLY 35 H GLY 35 -8.202 11.382 6.814 258 1HA GLY 35 1HA GLY 35 -8.628 11.785 9.351 259 2HA GLY 35 2HA GLY 35 -9.556 10.302 9.185 260 H ASN 36 H ASN 36 -7.152 10.896 10.792 261 HA ASN 36 HA ASN 36 -4.817 9.834 9.754 262 1HB ASN 36 1HB ASN 36 -5.961 10.039 12.506 263 2HB ASN 36 2HB ASN 36 -4.520 9.055 12.268 264 1HD2 ASN 36 1HD2 ASN 36 -2.588 10.024 11.912 265 2HD2 ASN 36 2HD2 ASN 36 -2.350 11.735 11.941 266 H GLU 37 H GLU 37 -7.763 8.259 10.379 267 HA GLU 37 HA GLU 37 -6.910 5.670 11.033 268 1HB GLU 37 1HB GLU 37 -9.093 4.942 10.453 269 2HB GLU 37 2HB GLU 37 -9.273 6.563 11.107 270 1HG GLU 37 1HG GLU 37 -9.311 7.419 8.762 271 2HG GLU 37 2HG GLU 37 -9.352 5.744 8.216 272 H VAL 38 H VAL 38 -7.666 7.092 7.859 273 HA VAL 38 HA VAL 38 -6.786 4.751 6.442 274 HB VAL 38 HB VAL 38 -8.514 6.005 5.396 275 1HG1 VAL 38 1HG1 VAL 38 -6.679 8.376 5.683 276 2HG1 VAL 38 2HG1 VAL 38 -8.125 8.377 4.672 277 3HG1 VAL 38 3HG1 VAL 38 -8.266 8.143 6.414 278 1HG2 VAL 38 1HG2 VAL 38 -7.711 5.958 3.278 279 2HG2 VAL 38 2HG2 VAL 38 -6.301 6.942 3.673 280 3HG2 VAL 38 3HG2 VAL 38 -6.318 5.225 4.073 281 H LYS 39 H LYS 39 -5.490 7.975 7.094 282 HA LYS 39 HA LYS 39 -3.275 7.994 5.461 283 1HB LYS 39 1HB LYS 39 -3.965 9.237 8.061 284 2HB LYS 39 2HB LYS 39 -2.258 9.217 7.639 285 1HG LYS 39 1HG LYS 39 -2.944 11.237 6.783 286 2HG LYS 39 2HG LYS 39 -3.069 10.184 5.372 287 1HD LYS 39 1HD LYS 39 -5.116 11.167 5.244 288 2HD LYS 39 2HD LYS 39 -5.529 9.850 6.344 289 1HE LYS 39 1HE LYS 39 -6.427 11.936 7.179 290 2HE LYS 39 2HE LYS 39 -5.153 11.358 8.253 291 1HZ LYS 39 1HZ LYS 39 -4.772 13.421 6.152 292 2HZ LYS 39 2HZ LYS 39 -3.631 12.926 7.298 293 3HZ LYS 39 3HZ LYS 39 -5.019 13.757 7.792 294 H LEU 40 H LEU 40 -3.918 5.932 8.106 295 HA LEU 40 HA LEU 40 -1.109 5.219 8.462 296 1HB LEU 40 1HB LEU 40 -3.638 4.497 9.906 297 2HB LEU 40 2HB LEU 40 -2.135 3.618 10.181 298 HG LEU 40 HG LEU 40 -2.223 6.592 10.511 299 1HD1 LEU 40 1HD1 LEU 40 -2.605 6.019 12.989 300 2HD1 LEU 40 2HD1 LEU 40 -3.294 4.514 12.383 301 3HD1 LEU 40 3HD1 LEU 40 -4.000 6.059 11.911 302 1HD2 LEU 40 1HD2 LEU 40 -0.686 4.795 12.277 303 2HD2 LEU 40 2HD2 LEU 40 -0.234 6.338 11.551 304 3HD2 LEU 40 3HD2 LEU 40 -0.175 4.859 10.590 305 H LYS 41 H LYS 41 -4.181 3.755 7.470 306 HA LYS 41 HA LYS 41 -3.272 1.163 6.995 307 1HB LYS 41 1HB LYS 41 -5.306 0.782 5.999 308 2HB LYS 41 2HB LYS 41 -5.677 2.248 6.896 309 1HG LYS 41 1HG LYS 41 -5.400 3.586 4.912 310 2HG LYS 41 2HG LYS 41 -4.878 2.172 3.994 311 1HD LYS 41 1HD LYS 41 -7.346 3.000 3.824 312 2HD LYS 41 2HD LYS 41 -7.001 1.272 3.918 313 1HE LYS 41 1HE LYS 41 -7.542 2.900 6.380 314 2HE LYS 41 2HE LYS 41 -8.857 2.228 5.417 315 1HZ LYS 41 1HZ LYS 41 -7.120 0.925 7.270 316 2HZ LYS 41 2HZ LYS 41 -7.133 0.139 5.773 317 3HZ LYS 41 3HZ LYS 41 -8.582 0.390 6.609 318 H LEU 42 H LEU 42 -2.939 4.071 5.101 319 HA LEU 42 HA LEU 42 -2.148 2.762 2.683 320 1HB LEU 42 1HB LEU 42 -2.260 5.550 3.684 321 2HB LEU 42 2HB LEU 42 -1.160 5.216 2.348 322 HG LEU 42 HG LEU 42 -3.276 6.053 1.518 323 1HD1 LEU 42 1HD1 LEU 42 -2.145 3.501 0.826 324 2HD1 LEU 42 2HD1 LEU 42 -2.814 4.754 -0.219 325 3HD1 LEU 42 3HD1 LEU 42 -3.875 3.532 0.483 326 1HD2 LEU 42 1HD2 LEU 42 -4.827 3.679 2.283 327 2HD2 LEU 42 2HD2 LEU 42 -5.306 5.375 2.206 328 3HD2 LEU 42 3HD2 LEU 42 -4.427 4.769 3.611 329 H TYR 43 H TYR 43 -0.497 4.028 5.502 330 HA TYR 43 HA TYR 43 2.129 3.809 4.360 331 1HB TYR 43 1HB TYR 43 2.243 5.360 6.023 332 2HB TYR 43 2HB TYR 43 0.975 4.592 6.973 333 HD1 TYR 43 1HD TYR 43 4.571 4.661 6.250 334 HD2 TYR 43 2HD TYR 43 1.504 2.887 8.606 335 HE1 TYR 43 1HE TYR 43 6.277 3.724 7.755 336 HE2 TYR 43 2HE TYR 43 3.201 1.946 10.118 337 HH TYR 43 HH TYR 43 6.231 1.515 9.439 338 H ALA 44 H ALA 44 0.023 1.789 6.291 339 HA ALA 44 HA ALA 44 1.832 -0.079 7.267 340 1HB ALA 44 1HB ALA 44 -1.051 -0.306 6.463 341 2HB ALA 44 2HB ALA 44 -0.156 -1.678 7.119 342 3HB ALA 44 3HB ALA 44 -0.359 -0.215 8.082 343 H LEU 45 H LEU 45 0.109 -0.056 4.158 344 HA LEU 45 HA LEU 45 1.273 -2.480 3.228 345 1HB LEU 45 1HB LEU 45 -0.255 -0.251 1.945 346 2HB LEU 45 2HB LEU 45 0.490 -1.506 0.958 347 HG LEU 45 HG LEU 45 -1.699 -2.235 1.189 348 1HD1 LEU 45 1HD1 LEU 45 0.036 -3.918 1.887 349 2HD1 LEU 45 2HD1 LEU 45 -1.602 -4.229 2.461 350 3HD1 LEU 45 3HD1 LEU 45 -0.397 -3.554 3.558 351 1HD2 LEU 45 1HD2 LEU 45 -2.904 -2.240 3.364 352 2HD2 LEU 45 2HD2 LEU 45 -2.500 -0.627 2.778 353 3HD2 LEU 45 3HD2 LEU 45 -1.548 -1.360 4.069 354 H TYR 46 H TYR 46 1.929 0.947 2.551 355 HA TYR 46 HA TYR 46 3.857 0.818 0.653 356 1HB TYR 46 1HB TYR 46 3.337 2.977 1.338 357 2HB TYR 46 2HB TYR 46 3.547 2.597 3.044 358 HD1 TYR 46 1HD TYR 46 5.789 2.211 0.076 359 HD2 TYR 46 2HD TYR 46 5.210 3.934 3.923 360 HE1 TYR 46 1HE TYR 46 8.065 3.140 -0.004 361 HE2 TYR 46 2HE TYR 46 7.484 4.868 3.854 362 HH TYR 46 HH TYR 46 9.147 5.496 1.594 363 H LYS 47 H LYS 47 4.545 0.658 4.150 364 HA LYS 47 HA LYS 47 7.271 -0.032 3.814 365 1HB LYS 47 1HB LYS 47 5.454 -0.449 6.195 366 2HB LYS 47 2HB LYS 47 7.208 -0.581 6.221 367 1HG LYS 47 1HG LYS 47 5.776 1.937 5.421 368 2HG LYS 47 2HG LYS 47 6.238 1.576 7.086 369 1HD LYS 47 1HD LYS 47 8.316 1.349 4.970 370 2HD LYS 47 2HD LYS 47 7.812 2.964 5.472 371 1HE LYS 47 1HE LYS 47 8.446 0.972 7.585 372 2HE LYS 47 2HE LYS 47 9.786 1.669 6.677 373 1HZ LYS 47 1HZ LYS 47 9.606 3.194 8.327 374 2HZ LYS 47 2HZ LYS 47 7.948 2.947 8.555 375 3HZ LYS 47 3HZ LYS 47 8.493 3.875 7.250 376 H GLN 48 H GLN 48 4.372 -1.851 3.645 377 HA GLN 48 HA GLN 48 5.599 -4.396 4.236 378 1HB GLN 48 1HB GLN 48 3.154 -3.767 4.650 379 2HB GLN 48 2HB GLN 48 2.924 -3.973 2.919 380 1HG GLN 48 1HG GLN 48 2.339 -6.047 3.616 381 2HG GLN 48 2HG GLN 48 4.071 -6.300 3.403 382 1HE2 GLN 48 1HE2 GLN 48 3.907 -8.039 4.890 383 2HE2 GLN 48 2HE2 GLN 48 3.845 -7.743 6.591 384 H ALA 49 H ALA 49 4.930 -2.448 1.438 385 HA ALA 49 HA ALA 49 5.649 -4.648 -0.360 386 1HB ALA 49 1HB ALA 49 3.853 -3.706 -1.367 387 2HB ALA 49 2HB ALA 49 4.154 -2.115 -0.666 388 3HB ALA 49 3HB ALA 49 5.096 -2.659 -2.055 389 H THR 50 H THR 50 7.365 -2.709 1.436 390 HA THR 50 HA THR 50 9.424 -2.300 -0.623 391 HB THR 50 HB THR 50 10.121 -0.222 0.663 392 HG1 THR 50 1HG THR 50 7.721 -0.873 1.946 393 1HG2 THR 50 1HG2 THR 50 8.831 1.159 -0.685 394 2HG2 THR 50 2HG2 THR 50 7.393 0.152 -0.514 395 3HG2 THR 50 3HG2 THR 50 8.730 -0.385 -1.530 396 H GLU 51 H GLU 51 8.623 -2.818 2.759 397 HA GLU 51 HA GLU 51 11.403 -3.666 3.239 398 1HB GLU 51 1HB GLU 51 9.397 -2.840 5.337 399 2HB GLU 51 2HB GLU 51 11.117 -3.124 5.559 400 1HG GLU 51 1HG GLU 51 11.512 -1.199 3.976 401 2HG GLU 51 2HG GLU 51 9.790 -0.850 4.119 402 H GLY 52 H GLY 52 8.008 -4.482 3.631 403 1HA GLY 52 1HA GLY 52 7.378 -6.816 3.353 404 2HA GLY 52 2HA GLY 52 8.836 -7.251 4.231 405 HA PRO 53 HA PRO 53 5.589 -7.644 7.376 406 1HB PRO 53 1HB PRO 53 6.981 -9.417 8.888 407 2HB PRO 53 2HB PRO 53 6.045 -9.894 7.467 408 1HG PRO 53 1HG PRO 53 8.990 -9.420 7.724 409 2HG PRO 53 2HG PRO 53 8.136 -10.719 6.871 410 1HD PRO 53 1HD PRO 53 9.162 -8.564 5.592 411 2HD PRO 53 2HD PRO 53 7.695 -9.395 5.037 412 H CYS 54 H CYS 54 5.383 -6.589 9.286 413 HA CYS 54 HA CYS 54 7.117 -4.600 10.061 414 1HB CYS 54 1HB CYS 54 4.888 -4.541 10.885 415 2HB CYS 54 2HB CYS 54 5.048 -6.121 11.642 416 HG CYS 54 HG CYS 54 6.897 -5.186 13.579 417 H ASN 55 H ASN 55 9.214 -4.921 10.484 418 HA ASN 55 HA ASN 55 9.923 -7.016 12.432 419 1HB ASN 55 1HB ASN 55 12.065 -7.227 11.374 420 2HB ASN 55 2HB ASN 55 10.842 -7.310 10.109 421 1HD2 ASN 55 1HD2 ASN 55 10.823 -5.812 8.525 422 2HD2 ASN 55 2HD2 ASN 55 11.971 -4.528 8.390 423 H MET 56 H MET 56 9.203 -3.998 12.576 424 HA MET 56 HA MET 56 11.623 -2.948 13.814 425 1HB MET 56 1HB MET 56 10.130 -0.891 14.126 426 2HB MET 56 2HB MET 56 10.565 -1.330 12.480 427 1HG MET 56 1HG MET 56 8.412 -2.308 12.106 428 2HG MET 56 2HG MET 56 7.973 -2.093 13.799 429 1HE MET 56 1HE MET 56 8.557 0.354 14.832 430 2HE MET 56 2HE MET 56 9.584 1.194 13.670 431 3HE MET 56 3HE MET 56 7.983 1.829 14.054 432 HA PRO 57 HA PRO 57 10.479 -3.760 17.973 433 1HB PRO 57 1HB PRO 57 11.435 -1.557 19.240 434 2HB PRO 57 2HB PRO 57 12.484 -2.822 18.589 435 1HG PRO 57 1HG PRO 57 11.757 -0.170 17.407 436 2HG PRO 57 2HG PRO 57 13.338 -0.972 17.469 437 1HD PRO 57 1HD PRO 57 11.783 -0.986 15.252 438 2HD PRO 57 2HD PRO 57 12.857 -2.335 15.674 439 H LYS 58 H LYS 58 8.653 -3.589 19.119 440 HA LYS 58 HA LYS 58 6.598 -1.805 18.413 441 1HB LYS 58 1HB LYS 58 6.397 -4.083 19.549 442 2HB LYS 58 2HB LYS 58 6.784 -3.254 21.051 443 1HG LYS 58 1HG LYS 58 4.793 -2.071 21.064 444 2HG LYS 58 2HG LYS 58 4.533 -2.296 19.332 445 1HD LYS 58 1HD LYS 58 4.173 -4.711 19.743 446 2HD LYS 58 2HD LYS 58 4.330 -4.411 21.476 447 1HE LYS 58 1HE LYS 58 2.429 -2.790 21.270 448 2HE LYS 58 2HE LYS 58 2.215 -3.347 19.611 449 1HZ LYS 58 1HZ LYS 58 1.888 -5.604 20.495 450 2HZ LYS 58 2HZ LYS 58 0.716 -4.517 21.048 451 3HZ LYS 58 3HZ LYS 58 1.977 -4.993 22.070 452 HA PRO 59 HA PRO 59 7.993 1.782 20.644 453 1HB PRO 59 1HB PRO 59 5.822 3.320 20.101 454 2HB PRO 59 2HB PRO 59 7.098 3.007 18.918 455 1HG PRO 59 1HG PRO 59 4.420 1.701 19.205 456 2HG PRO 59 2HG PRO 59 5.250 2.240 17.734 457 1HD PRO 59 1HD PRO 59 5.212 -0.351 18.520 458 2HD PRO 59 2HD PRO 59 6.584 0.362 17.649 459 H GLY 60 H GLY 60 7.139 3.199 22.379 460 1HA GLY 60 1HA GLY 60 5.705 1.598 24.326 461 2HA GLY 60 2HA GLY 60 6.478 3.149 24.614 462 H VAL 61 H VAL 61 3.835 2.235 25.440 463 HA VAL 61 HA VAL 61 1.701 3.115 23.975 464 HB VAL 61 HB VAL 61 0.651 3.760 26.205 465 1HG1 VAL 61 1HG1 VAL 61 1.614 1.137 25.307 466 2HG1 VAL 61 2HG1 VAL 61 1.142 1.212 27.006 467 3HG1 VAL 61 3HG1 VAL 61 -0.011 1.662 25.749 468 1HG2 VAL 61 1HG2 VAL 61 2.148 4.264 27.798 469 2HG2 VAL 61 2HG2 VAL 61 2.266 2.518 28.019 470 3HG2 VAL 61 3HG2 VAL 61 3.440 3.360 27.007 471 H PHE 62 H PHE 62 3.796 5.081 26.061 472 HA PHE 62 HA PHE 62 2.514 7.506 25.932 473 1HB PHE 62 1HB PHE 62 5.391 6.722 26.144 474 2HB PHE 62 2HB PHE 62 4.992 8.421 25.915 475 HD1 PHE 62 1HD PHE 62 3.605 5.624 27.966 476 HD2 PHE 62 2HD PHE 62 5.066 9.621 27.859 477 HE1 PHE 62 1HE PHE 62 3.175 5.843 30.378 478 HE2 PHE 62 2HE PHE 62 4.639 9.845 30.271 479 HZ PHE 62 HZ PHE 62 3.693 7.955 31.535 480 H ASP 63 H ASP 63 4.415 5.919 23.465 481 HA ASP 63 HA ASP 63 4.334 8.256 21.730 482 1HB ASP 63 1HB ASP 63 5.741 5.630 21.695 483 2HB ASP 63 2HB ASP 63 5.435 6.416 20.148 484 H LEU 64 H LEU 64 1.974 8.252 21.627 485 HA LEU 64 HA LEU 64 0.488 6.133 20.520 486 1HB LEU 64 1HB LEU 64 -0.147 9.071 20.337 487 2HB LEU 64 2HB LEU 64 -1.282 7.728 20.223 488 HG LEU 64 HG LEU 64 0.262 8.472 22.706 489 1HD1 LEU 64 1HD1 LEU 64 -2.651 8.932 22.096 490 2HD1 LEU 64 2HD1 LEU 64 -1.406 10.176 22.003 491 3HD1 LEU 64 3HD1 LEU 64 -1.772 9.410 23.548 492 1HD2 LEU 64 1HD2 LEU 64 -0.970 6.080 22.000 493 2HD2 LEU 64 2HD2 LEU 64 -2.136 6.896 23.042 494 3HD2 LEU 64 3HD2 LEU 64 -0.497 6.592 23.620 495 H ILE 65 H ILE 65 2.192 8.846 19.063 496 HA ILE 65 HA ILE 65 1.197 8.680 16.465 497 HB ILE 65 HB ILE 65 4.012 9.412 17.281 498 1HG1 ILE 65 1HG1 ILE 65 2.042 10.657 18.375 499 2HG1 ILE 65 2HG1 ILE 65 3.285 11.627 17.591 500 1HG2 ILE 65 1HG2 ILE 65 3.973 9.069 14.940 501 2HG2 ILE 65 2HG2 ILE 65 2.426 9.898 14.773 502 3HG2 ILE 65 3HG2 ILE 65 3.876 10.813 15.186 503 1HD1 ILE 65 1HD1 ILE 65 1.019 10.859 15.887 504 2HD1 ILE 65 2HD1 ILE 65 0.647 11.961 17.213 505 3HD1 ILE 65 3HD1 ILE 65 1.876 12.393 16.024 506 H ASN 66 H ASN 66 4.222 7.252 17.714 507 HA ASN 66 HA ASN 66 4.752 5.734 15.397 508 1HB ASN 66 1HB ASN 66 5.721 5.522 18.245 509 2HB ASN 66 2HB ASN 66 6.272 4.423 16.984 510 1HD2 ASN 66 1HD2 ASN 66 6.016 7.843 17.815 511 2HD2 ASN 66 2HD2 ASN 66 7.434 8.339 16.961 512 H LYS 67 H LYS 67 3.201 4.903 18.474 513 HA LYS 67 HA LYS 67 2.843 2.178 18.064 514 1HB LYS 67 1HB LYS 67 2.334 3.646 20.139 515 2HB LYS 67 2HB LYS 67 0.750 3.866 19.407 516 1HG LYS 67 1HG LYS 67 0.591 2.090 20.979 517 2HG LYS 67 2HG LYS 67 0.505 1.385 19.363 518 1HD LYS 67 1HD LYS 67 2.653 0.496 19.504 519 2HD LYS 67 2HD LYS 67 3.124 1.591 20.806 520 1HE LYS 67 1HE LYS 67 2.785 -0.723 21.586 521 2HE LYS 67 2HE LYS 67 1.687 0.420 22.358 522 1HZ LYS 67 1HZ LYS 67 1.106 -1.707 20.435 523 2HZ LYS 67 2HZ LYS 67 0.151 -0.312 20.378 524 3HZ LYS 67 3HZ LYS 67 0.236 -1.221 21.802 525 H ALA 68 H ALA 68 0.923 4.908 16.935 526 HA ALA 68 HA ALA 68 -1.305 3.517 15.983 527 1HB ALA 68 1HB ALA 68 -1.016 6.021 16.210 528 2HB ALA 68 2HB ALA 68 -0.161 5.967 14.668 529 3HB ALA 68 3HB ALA 68 -1.848 5.459 14.759 530 H LYS 69 H LYS 69 1.736 4.356 14.353 531 HA LYS 69 HA LYS 69 1.008 3.154 11.873 532 1HB LYS 69 1HB LYS 69 3.480 4.322 13.048 533 2HB LYS 69 2HB LYS 69 3.671 3.233 11.680 534 1HG LYS 69 1HG LYS 69 2.617 4.656 10.222 535 2HG LYS 69 2HG LYS 69 1.689 5.449 11.497 536 1HD LYS 69 1HD LYS 69 3.725 6.541 12.300 537 2HD LYS 69 2HD LYS 69 4.659 5.738 11.037 538 1HE LYS 69 1HE LYS 69 2.291 7.348 10.234 539 2HE LYS 69 2HE LYS 69 3.746 8.203 10.743 540 1HZ LYS 69 1HZ LYS 69 4.758 7.713 8.842 541 2HZ LYS 69 2HZ LYS 69 3.252 7.223 8.250 542 3HZ LYS 69 3HZ LYS 69 4.312 6.082 8.910 543 H TRP 70 H TRP 70 3.093 2.135 14.565 544 HA TRP 70 HA TRP 70 4.025 -0.258 13.576 545 1HB TRP 70 1HB TRP 70 4.515 0.900 15.830 546 2HB TRP 70 2HB TRP 70 3.124 0.005 16.437 547 HD1 TRP 70 HD TRP 70 6.725 -0.483 15.271 548 HE1 TRP 70 1HE TRP 70 7.498 -2.846 15.936 549 HE3 TRP 70 3HE TRP 70 2.258 -2.373 16.887 550 HZ2 TRP 70 2HZ TRP 70 6.364 -5.200 17.005 551 HZ3 TRP 70 3HZ TRP 70 2.188 -4.689 17.715 552 HH2 TRP 70 HH TRP 70 4.199 -6.072 17.771 553 H ASP 71 H ASP 71 0.878 0.458 14.981 554 HA ASP 71 HA ASP 71 0.015 -2.281 14.993 555 1HB ASP 71 1HB ASP 71 -1.226 0.361 15.601 556 2HB ASP 71 2HB ASP 71 -2.298 -0.988 15.231 557 H ALA 72 H ALA 72 0.118 0.260 12.685 558 HA ALA 72 HA ALA 72 -1.964 -0.827 10.998 559 1HB ALA 72 1HB ALA 72 -1.792 1.075 9.766 560 2HB ALA 72 2HB ALA 72 -1.086 1.665 11.270 561 3HB ALA 72 3HB ALA 72 -0.040 1.165 9.942 562 H TRP 73 H TRP 73 1.571 -0.689 11.021 563 HA TRP 73 HA TRP 73 1.789 -2.146 8.539 564 1HB TRP 73 1HB TRP 73 3.465 -0.451 9.153 565 2HB TRP 73 2HB TRP 73 3.912 -1.405 10.565 566 HD1 TRP 73 HD TRP 73 3.297 -3.525 7.553 567 HE1 TRP 73 1HE TRP 73 5.538 -4.320 6.567 568 HE3 TRP 73 3HE TRP 73 6.465 -0.506 10.197 569 HZ2 TRP 73 2HZ TRP 73 8.284 -3.744 6.869 570 HZ3 TRP 73 3HZ TRP 73 8.885 -0.691 9.789 571 HH2 TRP 73 HH TRP 73 9.774 -2.278 8.160 572 H ASN 74 H ASN 74 1.864 -2.847 11.957 573 HA ASN 74 HA ASN 74 3.010 -5.442 11.748 574 1HB ASN 74 1HB ASN 74 3.104 -4.324 13.868 575 2HB ASN 74 2HB ASN 74 1.355 -4.124 13.905 576 1HD2 ASN 74 1HD2 ASN 74 0.845 -5.241 15.688 577 2HD2 ASN 74 2HD2 ASN 74 1.166 -6.923 15.920 578 H ALA 75 H ALA 75 -0.315 -4.234 11.895 579 HA ALA 75 HA ALA 75 -1.749 -6.552 12.132 580 1HB ALA 75 1HB ALA 75 -2.370 -3.958 11.580 581 2HB ALA 75 2HB ALA 75 -2.833 -4.766 10.082 582 3HB ALA 75 3HB ALA 75 -3.526 -5.290 11.617 583 H LEU 76 H LEU 76 0.053 -5.425 9.366 584 HA LEU 76 HA LEU 76 -1.081 -7.039 7.377 585 1HB LEU 76 1HB LEU 76 1.594 -5.758 7.745 586 2HB LEU 76 2HB LEU 76 1.321 -6.852 6.391 587 HG LEU 76 HG LEU 76 1.073 -4.334 5.985 588 1HD1 LEU 76 1HD1 LEU 76 0.308 -5.371 4.155 589 2HD1 LEU 76 2HD1 LEU 76 -1.288 -4.989 4.799 590 3HD1 LEU 76 3HD1 LEU 76 -0.580 -6.578 5.086 591 1HD2 LEU 76 1HD2 LEU 76 -0.278 -3.904 8.010 592 2HD2 LEU 76 2HD2 LEU 76 -1.588 -4.853 7.308 593 3HD2 LEU 76 3HD2 LEU 76 -1.066 -3.359 6.530 594 H GLY 77 H GLY 77 1.733 -7.630 9.479 595 1HA GLY 77 1HA GLY 77 2.457 -9.660 10.350 596 2HA GLY 77 2HA GLY 77 1.191 -10.470 9.439 597 H SER 78 H SER 78 2.232 -12.026 8.350 598 HA SER 78 HA SER 78 4.821 -11.541 7.154 599 1HB SER 78 1HB SER 78 3.012 -13.966 7.158 600 2HB SER 78 2HB SER 78 4.599 -13.923 6.391 601 HG SER 78 HG SER 78 4.040 -14.426 8.919 602 H LEU 79 H LEU 79 2.772 -9.884 6.131 603 HA LEU 79 HA LEU 79 1.783 -10.893 3.654 604 1HB LEU 79 1HB LEU 79 1.030 -8.862 5.167 605 2HB LEU 79 2HB LEU 79 2.133 -7.975 4.117 606 HG LEU 79 HG LEU 79 -0.280 -7.892 3.449 607 1HD1 LEU 79 1HD1 LEU 79 0.256 -7.743 1.240 608 2HD1 LEU 79 2HD1 LEU 79 1.176 -9.247 1.244 609 3HD1 LEU 79 3HD1 LEU 79 1.879 -7.782 1.929 610 1HD2 LEU 79 1HD2 LEU 79 -0.228 -10.473 2.130 611 2HD2 LEU 79 2HD2 LEU 79 -1.492 -9.729 3.110 612 3HD2 LEU 79 3HD2 LEU 79 -0.184 -10.623 3.887 613 HA PRO 80 HA PRO 80 5.617 -10.464 1.427 614 1HB PRO 80 1HB PRO 80 4.627 -11.243 -0.977 615 2HB PRO 80 2HB PRO 80 5.008 -12.383 0.319 616 1HG PRO 80 1HG PRO 80 2.359 -11.237 -0.479 617 2HG PRO 80 2HG PRO 80 2.769 -12.904 -0.034 618 1HD PRO 80 1HD PRO 80 1.591 -11.184 1.693 619 2HD PRO 80 2HD PRO 80 2.718 -12.448 2.225 620 H LYS 81 H LYS 81 6.404 -9.246 -0.427 621 HA LYS 81 HA LYS 81 5.397 -6.620 -0.516 622 1HB LYS 81 1HB LYS 81 7.241 -7.933 -2.518 623 2HB LYS 81 2HB LYS 81 7.069 -6.209 -2.221 624 1HG LYS 81 1HG LYS 81 7.861 -7.966 0.043 625 2HG LYS 81 2HG LYS 81 9.058 -7.582 -1.197 626 1HD LYS 81 1HD LYS 81 8.587 -5.175 -0.840 627 2HD LYS 81 2HD LYS 81 7.494 -5.615 0.474 628 1HE LYS 81 1HE LYS 81 10.474 -5.885 0.324 629 2HE LYS 81 2HE LYS 81 9.492 -5.101 1.560 630 1HZ LYS 81 1HZ LYS 81 9.960 -7.013 2.643 631 2HZ LYS 81 2HZ LYS 81 10.161 -7.919 1.229 632 3HZ LYS 81 3HZ LYS 81 8.605 -7.571 1.797 633 H GLU 82 H GLU 82 5.158 -9.309 -2.817 634 HA GLU 82 HA GLU 82 3.964 -8.093 -4.957 635 1HB GLU 82 1HB GLU 82 3.419 -10.809 -3.760 636 2HB GLU 82 2HB GLU 82 2.754 -10.290 -5.302 637 1HG GLU 82 1HG GLU 82 5.256 -9.784 -5.869 638 2HG GLU 82 2HG GLU 82 5.565 -10.935 -4.570 639 H ALA 83 H ALA 83 2.209 -9.565 -2.221 640 HA ALA 83 HA ALA 83 -0.322 -8.569 -3.022 641 1HB ALA 83 1HB ALA 83 -0.525 -9.031 -0.308 642 2HB ALA 83 2HB ALA 83 -0.831 -10.201 -1.592 643 3HB ALA 83 3HB ALA 83 0.755 -10.130 -0.823 644 H ALA 84 H ALA 84 2.051 -7.475 -0.621 645 HA ALA 84 HA ALA 84 0.662 -5.421 0.571 646 1HB ALA 84 1HB ALA 84 2.870 -4.352 0.950 647 2HB ALA 84 2HB ALA 84 2.838 -6.068 1.358 648 3HB ALA 84 3HB ALA 84 3.588 -5.533 -0.146 649 H ARG 85 H ARG 85 2.109 -5.518 -2.612 650 HA ARG 85 HA ARG 85 1.940 -2.713 -3.110 651 1HB ARG 85 1HB ARG 85 2.320 -5.112 -4.892 652 2HB ARG 85 2HB ARG 85 2.204 -3.480 -5.537 653 1HG ARG 85 1HG ARG 85 4.163 -3.969 -3.365 654 2HG ARG 85 2HG ARG 85 4.525 -4.608 -4.970 655 1HD ARG 85 1HD ARG 85 4.430 -2.448 -5.946 656 2HD ARG 85 2HD ARG 85 3.728 -1.748 -4.488 657 HE ARG 85 HE ARG 85 6.129 -2.719 -3.659 658 1HH1 ARG 85 2HH1 ARG 85 5.119 -0.558 -6.195 659 2HH1 ARG 85 1HH1 ARG 85 6.587 0.363 -6.173 660 1HH2 ARG 85 2HH2 ARG 85 8.065 -1.514 -3.620 661 2HH2 ARG 85 1HH2 ARG 85 8.262 -0.182 -4.708 662 H GLN 86 H GLN 86 -0.110 -5.496 -3.855 663 HA GLN 86 HA GLN 86 -2.009 -4.016 -5.377 664 1HB GLN 86 1HB GLN 86 -1.532 -6.604 -5.246 665 2HB GLN 86 2HB GLN 86 -2.742 -6.549 -3.971 666 1HG GLN 86 1HG GLN 86 -3.093 -5.728 -6.843 667 2HG GLN 86 2HG GLN 86 -3.803 -7.125 -6.035 668 1HE2 GLN 86 1HE2 GLN 86 -4.644 -4.341 -7.282 669 2HE2 GLN 86 2HE2 GLN 86 -5.895 -3.839 -6.202 670 H ASN 87 H ASN 87 -1.939 -5.196 -2.029 671 HA ASN 87 HA ASN 87 -4.445 -4.447 -1.183 672 1HB ASN 87 1HB ASN 87 -1.856 -4.254 0.373 673 2HB ASN 87 2HB ASN 87 -3.469 -4.244 1.080 674 1HD2 ASN 87 1HD2 ASN 87 -3.293 -6.091 2.245 675 2HD2 ASN 87 2HD2 ASN 87 -3.111 -7.659 1.541 676 H TYR 88 H TYR 88 -1.518 -2.441 -1.303 677 HA TYR 88 HA TYR 88 -2.577 -0.121 -0.178 678 1HB TYR 88 1HB TYR 88 -0.159 -0.545 -0.672 679 2HB TYR 88 2HB TYR 88 -0.501 -0.245 -2.373 680 HD1 TYR 88 1HD TYR 88 0.751 1.209 0.505 681 HD2 TYR 88 2HD TYR 88 -1.868 2.068 -2.737 682 HE1 TYR 88 1HE TYR 88 1.104 3.616 0.866 683 HE2 TYR 88 2HE TYR 88 -1.521 4.478 -2.386 684 HH TYR 88 HH TYR 88 -0.832 5.957 -0.333 685 H VAL 89 H VAL 89 -1.957 -0.559 -3.662 686 HA VAL 89 HA VAL 89 -3.408 1.566 -4.610 687 HB VAL 89 HB VAL 89 -3.648 0.346 -6.731 688 1HG1 VAL 89 1HG1 VAL 89 -1.536 1.411 -6.285 689 2HG1 VAL 89 2HG1 VAL 89 -0.983 0.013 -5.360 690 3HG1 VAL 89 3HG1 VAL 89 -1.243 -0.125 -7.100 691 1HG2 VAL 89 1HG2 VAL 89 -2.607 -2.018 -5.172 692 2HG2 VAL 89 2HG2 VAL 89 -4.229 -1.847 -5.843 693 3HG2 VAL 89 3HG2 VAL 89 -2.837 -1.962 -6.920 694 H ASP 90 H ASP 90 -4.593 -1.686 -3.859 695 HA ASP 90 HA ASP 90 -7.175 -1.504 -4.819 696 1HB ASP 90 1HB ASP 90 -5.918 -3.464 -3.634 697 2HB ASP 90 2HB ASP 90 -6.647 -2.810 -2.171 698 H LEU 91 H LEU 91 -5.827 -0.229 -1.829 699 HA LEU 91 HA LEU 91 -8.294 0.537 -0.659 700 1HB LEU 91 1HB LEU 91 -6.172 0.258 0.583 701 2HB LEU 91 2HB LEU 91 -5.552 1.706 -0.207 702 HG LEU 91 HG LEU 91 -6.324 2.051 2.138 703 1HD1 LEU 91 1HD1 LEU 91 -7.214 4.161 1.720 704 2HD1 LEU 91 2HD1 LEU 91 -8.045 3.628 0.259 705 3HD1 LEU 91 3HD1 LEU 91 -6.290 3.802 0.261 706 1HD2 LEU 91 1HD2 LEU 91 -9.084 1.665 0.989 707 2HD2 LEU 91 2HD2 LEU 91 -8.660 2.047 2.658 708 3HD2 LEU 91 3HD2 LEU 91 -8.248 0.471 1.981 709 H VAL 92 H VAL 92 -5.743 2.622 -2.035 710 HA VAL 92 HA VAL 92 -7.028 5.009 -2.110 711 HB VAL 92 HB VAL 92 -5.264 3.871 -4.282 712 1HG1 VAL 92 1HG1 VAL 92 -5.523 5.745 -5.443 713 2HG1 VAL 92 2HG1 VAL 92 -6.793 6.232 -4.318 714 3HG1 VAL 92 3HG1 VAL 92 -5.123 6.719 -4.029 715 1HG2 VAL 92 1HG2 VAL 92 -4.563 5.724 -2.010 716 2HG2 VAL 92 2HG2 VAL 92 -4.306 3.979 -1.980 717 3HG2 VAL 92 3HG2 VAL 92 -3.457 4.975 -3.161 718 H SER 93 H SER 93 -7.505 2.310 -4.317 719 HA SER 93 HA SER 93 -9.170 3.712 -6.149 720 1HB SER 93 1HB SER 93 -7.888 1.465 -6.458 721 2HB SER 93 2HB SER 93 -9.324 0.739 -5.734 722 HG SER 93 HG SER 93 -10.415 2.157 -7.453 723 H SER 94 H SER 94 -9.743 1.891 -3.210 724 HA SER 94 HA SER 94 -12.536 1.600 -3.463 725 1HB SER 94 1HB SER 94 -10.916 0.461 -1.800 726 2HB SER 94 2HB SER 94 -11.140 1.905 -0.813 727 HG SER 94 HG SER 94 -13.415 0.625 -1.806 728 H LEU 95 H LEU 95 -10.528 4.138 -2.044 729 HA LEU 95 HA LEU 95 -12.587 5.654 -0.887 730 1HB LEU 95 1HB LEU 95 -9.909 6.495 -1.981 731 2HB LEU 95 2HB LEU 95 -10.970 7.547 -1.046 732 HG LEU 95 HG LEU 95 -9.901 4.952 0.040 733 1HD1 LEU 95 1HD1 LEU 95 -8.137 6.181 1.111 734 2HD1 LEU 95 2HD1 LEU 95 -8.711 7.695 0.412 735 3HD1 LEU 95 3HD1 LEU 95 -8.039 6.442 -0.631 736 1HD2 LEU 95 1HD2 LEU 95 -11.766 5.732 1.273 737 2HD2 LEU 95 2HD2 LEU 95 -11.183 7.397 1.240 738 3HD2 LEU 95 3HD2 LEU 95 -10.334 6.183 2.198 739 H SER 96 H SER 96 -11.124 5.782 -4.112 740 HA SER 96 HA SER 96 -12.669 8.004 -4.998 741 1HB SER 96 1HB SER 96 -10.487 7.304 -6.007 742 2HB SER 96 2HB SER 96 -11.304 5.900 -6.693 743 HG SER 96 HG SER 96 -11.734 8.636 -7.268 744 HA PRO 97 HA PRO 97 -16.498 6.030 -5.906 745 1HB PRO 97 1HB PRO 97 -17.455 7.792 -7.736 746 2HB PRO 97 2HB PRO 97 -17.388 8.145 -6.006 747 1HG PRO 97 1HG PRO 97 -15.508 8.976 -8.182 748 2HG PRO 97 2HG PRO 97 -16.148 9.931 -6.832 749 1HD PRO 97 1HD PRO 97 -13.665 8.852 -6.805 750 2HD PRO 97 2HD PRO 97 -14.633 9.057 -5.331 751 H SER 98 H SER 98 -14.823 7.311 -8.789 752 HA SER 98 HA SER 98 -14.614 4.787 -10.046 753 1HB SER 98 1HB SER 98 -16.218 5.129 -11.889 754 2HB SER 98 2HB SER 98 -17.036 5.029 -10.330 755 HG SER 98 HG SER 98 -17.677 6.793 -11.810 756 H LEU 99 H LEU 99 -12.833 4.979 -11.216 757 HA LEU 99 HA LEU 99 -12.243 7.580 -12.468 758 1HB LEU 99 1HB LEU 99 -10.486 5.523 -11.194 759 2HB LEU 99 2HB LEU 99 -9.834 6.611 -12.418 760 HG LEU 99 HG LEU 99 -11.188 7.596 -9.916 761 1HD1 LEU 99 1HD1 LEU 99 -9.399 6.447 -9.001 762 2HD1 LEU 99 2HD1 LEU 99 -8.734 8.061 -9.252 763 3HD1 LEU 99 3HD1 LEU 99 -8.353 6.765 -10.385 764 1HD2 LEU 99 1HD2 LEU 99 -10.475 9.683 -10.514 765 2HD2 LEU 99 2HD2 LEU 99 -10.740 8.984 -12.112 766 3HD2 LEU 99 3HD2 LEU 99 -9.108 9.073 -11.447 767 H GLU 100 H GLU 100 -10.650 7.303 -14.369 768 HA GLU 100 HA GLU 100 -11.645 5.106 -16.059 769 1HB GLU 100 1HB GLU 100 -11.216 6.564 -17.983 770 2HB GLU 100 2HB GLU 100 -12.335 7.310 -16.851 771 1HG GLU 100 1HG GLU 100 -10.443 8.618 -15.925 772 2HG GLU 100 2HG GLU 100 -9.414 7.945 -17.188 773 H SER 101 H SER 101 -10.231 3.790 -17.082 774 HA SER 101 HA SER 101 -7.528 4.400 -17.611 775 1HB SER 101 1HB SER 101 -6.372 3.100 -15.964 776 2HB SER 101 2HB SER 101 -7.463 4.177 -15.092 777 HG SER 101 HG SER 101 -7.571 2.040 -14.295 778 H SER 102 H SER 102 -6.521 2.813 -18.839 779 HA SER 102 HA SER 102 -8.303 0.659 -19.723 780 1HB SER 102 1HB SER 102 -5.782 1.662 -21.061 781 2HB SER 102 2HB SER 102 -7.001 0.593 -21.755 782 HG SER 102 HG SER 102 -8.494 2.387 -21.460 783 H SER 103 H SER 103 -7.974 -1.278 -18.879 784 HA SER 103 HA SER 103 -5.570 -1.966 -17.496 785 1HB SER 103 1HB SER 103 -7.889 -3.735 -18.311 786 2HB SER 103 2HB SER 103 -6.645 -4.137 -17.127 787 HG SER 103 HG SER 103 -7.848 -3.164 -15.723 788 H GLN 104 H GLN 104 -4.179 -3.764 -17.986 789 HA GLN 104 HA GLN 104 -4.161 -4.684 -20.755 790 1HB GLN 104 1HB GLN 104 -2.717 -2.551 -20.384 791 2HB GLN 104 2HB GLN 104 -1.604 -3.647 -19.576 792 1HG GLN 104 1HG GLN 104 -1.735 -5.045 -21.719 793 2HG GLN 104 2HG GLN 104 -2.444 -3.606 -22.449 794 1HE2 GLN 104 1HE2 GLN 104 0.395 -5.206 -21.685 795 2HE2 GLN 104 2HE2 GLN 104 1.509 -3.920 -21.986 796 H VAL 105 H VAL 105 -3.419 -6.728 -20.991 797 HA VAL 105 HA VAL 105 -3.359 -8.532 -18.956 798 HB VAL 105 HB VAL 105 -2.098 -10.050 -20.409 799 1HG1 VAL 105 1HG1 VAL 105 -4.368 -8.436 -21.429 800 2HG1 VAL 105 2HG1 VAL 105 -3.576 -9.538 -22.557 801 3HG1 VAL 105 3HG1 VAL 105 -4.275 -10.159 -21.062 802 1HG2 VAL 105 1HG2 VAL 105 -0.397 -8.780 -21.366 803 2HG2 VAL 105 2HG2 VAL 105 -1.487 -9.082 -22.720 804 3HG2 VAL 105 3HG2 VAL 105 -1.507 -7.519 -21.903 805 H GLU 106 H GLU 106 -1.623 -9.751 -17.950 806 HA GLU 106 HA GLU 106 0.925 -8.319 -17.728 807 1HB GLU 106 1HB GLU 106 -0.838 -7.831 -15.841 808 2HB GLU 106 2HB GLU 106 -0.340 -9.407 -15.245 809 1HG GLU 106 1HG GLU 106 2.063 -8.415 -15.498 810 2HG GLU 106 2HG GLU 106 1.211 -6.874 -15.430 811 HA PRO 107 HA PRO 107 2.087 -12.609 -18.376 812 1HB PRO 107 1HB PRO 107 4.705 -12.068 -18.851 813 2HB PRO 107 2HB PRO 107 3.443 -11.852 -20.070 814 1HG PRO 107 1HG PRO 107 4.736 -9.813 -18.300 815 2HG PRO 107 2HG PRO 107 4.334 -9.705 -20.024 816 1HD PRO 107 1HD PRO 107 2.798 -8.583 -18.097 817 2HD PRO 107 2HD PRO 107 2.119 -9.224 -19.606 818 H GLY 108 H GLY 108 2.649 -10.557 -15.837 819 1HA GLY 108 1HA GLY 108 4.821 -11.449 -14.434 820 2HA GLY 108 2HA GLY 108 3.309 -10.980 -13.671 821 H THR 109 H THR 109 4.781 -12.832 -12.412 822 HA THR 109 HA THR 109 3.872 -15.485 -13.181 823 HB THR 109 HB THR 109 5.508 -14.690 -10.766 824 HG1 THR 109 1HG THR 109 7.198 -15.672 -12.266 825 1HG2 THR 109 1HG2 THR 109 6.246 -17.102 -10.956 826 2HG2 THR 109 2HG2 THR 109 4.919 -17.330 -12.094 827 3HG2 THR 109 3HG2 THR 109 4.582 -16.853 -10.431 828 H ASP 110 H ASP 110 2.372 -16.691 -12.118 829 HA ASP 110 HA ASP 110 0.639 -15.266 -10.263 830 1HB ASP 110 1HB ASP 110 -0.769 -17.401 -10.539 831 2HB ASP 110 2HB ASP 110 -0.597 -16.350 -11.942 832 H SER 111 H SER 111 1.561 -15.265 -8.271 833 HA SER 111 HA SER 111 2.438 -17.835 -7.152 834 1HB SER 111 1HB SER 111 3.097 -14.977 -6.519 835 2HB SER 111 2HB SER 111 3.320 -16.222 -5.291 836 HG SER 111 HG SER 111 4.427 -16.317 -7.903 837 H GLY 112 H GLY 112 0.989 -18.884 -5.971 838 1HA GLY 112 1HA GLY 112 -0.268 -17.843 -3.710 839 2HA GLY 112 2HA GLY 112 -1.417 -17.729 -5.035 840 HA PRO 113 HA PRO 113 -2.522 -21.961 -4.721 841 1HB PRO 113 1HB PRO 113 -2.251 -22.992 -7.218 842 2HB PRO 113 2HB PRO 113 -3.526 -21.847 -6.785 843 1HG PRO 113 1HG PRO 113 -0.920 -21.345 -8.171 844 2HG PRO 113 2HG PRO 113 -2.528 -20.697 -8.543 845 1HD PRO 113 1HD PRO 113 -0.661 -19.274 -7.195 846 2HD PRO 113 2HD PRO 113 -2.401 -19.091 -6.895 847 H SER 114 H SER 114 -1.583 -23.730 -3.908 848 HA SER 114 HA SER 114 1.169 -24.087 -3.777 849 1HB SER 114 1HB SER 114 -1.130 -25.986 -3.334 850 2HB SER 114 2HB SER 114 0.545 -26.487 -3.102 851 HG SER 114 HG SER 114 0.594 -25.418 -1.295 852 H SER 115 H SER 115 2.099 -26.408 -4.433 853 HA SER 115 HA SER 115 2.069 -26.397 -7.338 854 1HB SER 115 1HB SER 115 3.766 -28.059 -5.462 855 2HB SER 115 2HB SER 115 4.033 -27.813 -7.188 856 HG SER 115 HG SER 115 4.787 -25.852 -6.812 857 H GLY 116 H GLY 116 -0.335 -27.237 -6.692 858 1HA GLY 116 1HA GLY 116 -0.312 -30.016 -7.535 859 2HA GLY 116 2HA GLY 116 -1.032 -29.718 -5.960 Start of MODEL 17 1 1H GLY 1 H GLY 1 -29.580 -6.341 -18.904 2 1HA GLY 1 1HA GLY 1 -29.181 -3.927 -19.850 3 2HA GLY 1 2HA GLY 1 -30.377 -3.536 -18.623 4 H SER 2 H SER 2 -29.823 -4.474 -16.389 5 HA SER 2 HA SER 2 -27.065 -3.693 -15.818 6 1HB SER 2 1HB SER 2 -29.472 -4.063 -14.023 7 2HB SER 2 2HB SER 2 -27.862 -3.647 -13.435 8 HG SER 2 HG SER 2 -28.137 -1.667 -14.101 9 H SER 3 H SER 3 -29.338 -6.332 -15.132 10 HA SER 3 HA SER 3 -27.025 -8.036 -14.472 11 1HB SER 3 1HB SER 3 -28.434 -7.715 -12.514 12 2HB SER 3 2HB SER 3 -29.863 -8.196 -13.427 13 HG SER 3 HG SER 3 -28.935 -10.267 -13.650 14 H GLY 4 H GLY 4 -26.585 -9.286 -16.169 15 1HA GLY 4 1HA GLY 4 -27.912 -11.418 -17.067 16 2HA GLY 4 2HA GLY 4 -28.712 -10.137 -17.966 17 H SER 5 H SER 5 -27.548 -8.979 -19.542 18 HA SER 5 HA SER 5 -25.755 -10.497 -21.061 19 1HB SER 5 1HB SER 5 -26.318 -7.523 -21.115 20 2HB SER 5 2HB SER 5 -25.387 -8.379 -22.344 21 HG SER 5 HG SER 5 -27.907 -9.384 -21.704 22 H SER 6 H SER 6 -25.174 -7.771 -18.866 23 HA SER 6 HA SER 6 -22.333 -8.548 -18.800 24 1HB SER 6 1HB SER 6 -22.594 -6.444 -20.048 25 2HB SER 6 2HB SER 6 -23.440 -5.731 -18.675 26 HG SER 6 HG SER 6 -21.521 -5.172 -18.041 27 H GLY 7 H GLY 7 -21.996 -9.455 -16.876 28 1HA GLY 7 1HA GLY 7 -22.224 -7.997 -14.474 29 2HA GLY 7 2HA GLY 7 -23.578 -9.111 -14.593 30 H MET 8 H MET 8 -20.104 -8.828 -14.296 31 HA MET 8 HA MET 8 -20.026 -11.462 -13.064 32 1HB MET 8 1HB MET 8 -18.130 -12.215 -14.410 33 2HB MET 8 2HB MET 8 -19.537 -11.918 -15.422 34 1HG MET 8 1HG MET 8 -18.551 -9.657 -15.927 35 2HG MET 8 2HG MET 8 -17.081 -10.217 -15.133 36 1HE MET 8 1HE MET 8 -15.208 -10.484 -17.444 37 2HE MET 8 2HE MET 8 -15.430 -11.354 -15.926 38 3HE MET 8 3HE MET 8 -15.251 -12.247 -17.437 39 H ASN 9 H ASN 9 -18.366 -11.719 -11.581 40 HA ASN 9 HA ASN 9 -16.983 -9.238 -10.862 41 1HB ASN 9 1HB ASN 9 -17.879 -11.650 -9.348 42 2HB ASN 9 2HB ASN 9 -16.486 -10.758 -8.744 43 1HD2 ASN 9 1HD2 ASN 9 -16.779 -8.839 -7.749 44 2HD2 ASN 9 2HD2 ASN 9 -18.325 -8.123 -7.463 45 H ARG 10 H ARG 10 -14.769 -9.146 -10.527 46 HA ARG 10 HA ARG 10 -13.194 -10.873 -12.151 47 1HB ARG 10 1HB ARG 10 -12.669 -8.525 -10.391 48 2HB ARG 10 2HB ARG 10 -11.308 -9.549 -10.828 49 1HG ARG 10 1HG ARG 10 -13.130 -8.565 -12.969 50 2HG ARG 10 2HG ARG 10 -11.934 -7.469 -12.274 51 1HD ARG 10 1HD ARG 10 -10.141 -8.772 -13.002 52 2HD ARG 10 2HD ARG 10 -11.153 -10.197 -13.234 53 HE ARG 10 HE ARG 10 -10.728 -8.044 -15.098 54 1HH1 ARG 10 2HH1 ARG 10 -12.824 -10.654 -14.142 55 2HH1 ARG 10 1HH1 ARG 10 -13.543 -10.824 -15.710 56 1HH2 ARG 10 2HH2 ARG 10 -11.667 -8.259 -17.166 57 2HH2 ARG 10 1HH2 ARG 10 -12.883 -9.462 -17.429 58 H THR 11 H THR 11 -12.828 -12.913 -11.555 59 HA THR 11 HA THR 11 -12.956 -14.013 -9.035 60 HB THR 11 HB THR 11 -11.597 -15.881 -9.890 61 HG1 THR 11 1HG THR 11 -10.244 -14.313 -11.196 62 1HG2 THR 11 1HG2 THR 11 -14.064 -15.087 -10.773 63 2HG2 THR 11 2HG2 THR 11 -13.315 -16.645 -11.122 64 3HG2 THR 11 3HG2 THR 11 -13.188 -15.325 -12.285 65 H ALA 12 H ALA 12 -10.218 -12.461 -10.614 66 HA ALA 12 HA ALA 12 -8.941 -12.041 -8.065 67 1HB ALA 12 1HB ALA 12 -7.468 -13.659 -10.138 68 2HB ALA 12 2HB ALA 12 -6.875 -13.171 -8.550 69 3HB ALA 12 3HB ALA 12 -8.201 -14.327 -8.680 70 H MET 13 H MET 13 -7.512 -10.336 -8.089 71 HA MET 13 HA MET 13 -6.909 -9.116 -10.692 72 1HB MET 13 1HB MET 13 -8.895 -8.023 -9.584 73 2HB MET 13 2HB MET 13 -7.814 -7.529 -8.288 74 1HG MET 13 1HG MET 13 -6.499 -6.221 -9.834 75 2HG MET 13 2HG MET 13 -7.487 -6.778 -11.183 76 1HE MET 13 1HE MET 13 -8.146 -3.194 -8.603 77 2HE MET 13 2HE MET 13 -7.716 -4.661 -7.723 78 3HE MET 13 3HE MET 13 -6.678 -4.076 -9.024 79 H ARG 14 H ARG 14 -5.037 -7.799 -10.740 80 HA ARG 14 HA ARG 14 -3.353 -7.779 -8.355 81 1HB ARG 14 1HB ARG 14 -1.451 -8.736 -9.476 82 2HB ARG 14 2HB ARG 14 -2.805 -9.848 -9.629 83 1HG ARG 14 1HG ARG 14 -2.350 -7.889 -11.813 84 2HG ARG 14 2HG ARG 14 -1.252 -9.264 -11.673 85 1HD ARG 14 1HD ARG 14 -4.176 -9.781 -11.526 86 2HD ARG 14 2HD ARG 14 -3.481 -9.389 -13.098 87 HE ARG 14 HE ARG 14 -1.846 -11.331 -12.124 88 1HH1 ARG 14 2HH1 ARG 14 -5.280 -11.068 -12.637 89 2HH1 ARG 14 1HH1 ARG 14 -5.497 -12.761 -12.932 90 1HH2 ARG 14 2HH2 ARG 14 -2.120 -13.562 -12.510 91 2HH2 ARG 14 1HH2 ARG 14 -3.699 -14.179 -12.859 92 H ALA 15 H ALA 15 -1.600 -6.267 -8.467 93 HA ALA 15 HA ALA 15 -1.897 -4.257 -10.602 94 1HB ALA 15 1HB ALA 15 -2.675 -3.823 -8.054 95 2HB ALA 15 2HB ALA 15 -0.999 -3.279 -7.977 96 3HB ALA 15 3HB ALA 15 -2.108 -2.557 -9.143 97 H SER 16 H SER 16 -0.015 -3.119 -11.204 98 HA SER 16 HA SER 16 2.471 -4.531 -10.519 99 1HB SER 16 1HB SER 16 1.511 -4.255 -12.970 100 2HB SER 16 2HB SER 16 2.288 -2.676 -12.857 101 HG SER 16 HG SER 16 4.004 -3.758 -13.417 102 H GLN 17 H GLN 17 4.433 -3.276 -10.316 103 HA GLN 17 HA GLN 17 4.451 -1.334 -8.451 104 1HB GLN 17 1HB GLN 17 6.406 -2.516 -9.760 105 2HB GLN 17 2HB GLN 17 6.397 -1.031 -10.702 106 1HG GLN 17 1HG GLN 17 6.452 -0.798 -7.746 107 2HG GLN 17 2HG GLN 17 7.918 -1.334 -8.566 108 1HE2 GLN 17 1HE2 GLN 17 6.300 1.295 -7.449 109 2HE2 GLN 17 2HE2 GLN 17 7.035 2.522 -8.418 110 H LYS 18 H LYS 18 4.360 -0.719 -11.954 111 HA LYS 18 HA LYS 18 4.344 2.047 -11.911 112 1HB LYS 18 1HB LYS 18 4.477 0.557 -13.939 113 2HB LYS 18 2HB LYS 18 2.735 0.346 -13.820 114 1HG LYS 18 1HG LYS 18 3.465 2.056 -15.474 115 2HG LYS 18 2HG LYS 18 2.347 2.656 -14.247 116 1HD LYS 18 1HD LYS 18 3.989 3.881 -13.166 117 2HD LYS 18 2HD LYS 18 5.299 2.899 -13.827 118 1HE LYS 18 1HE LYS 18 3.582 4.541 -15.645 119 2HE LYS 18 2HE LYS 18 4.892 5.301 -14.742 120 1HZ LYS 18 1HZ LYS 18 6.371 3.544 -15.715 121 2HZ LYS 18 2HZ LYS 18 5.774 4.677 -16.820 122 3HZ LYS 18 3HZ LYS 18 5.095 3.129 -16.747 123 H ASP 19 H ASP 19 1.578 -0.174 -11.728 124 HA ASP 19 HA ASP 19 -0.438 1.769 -11.635 125 1HB ASP 19 1HB ASP 19 -0.232 -1.093 -10.807 126 2HB ASP 19 2HB ASP 19 -1.626 -0.162 -10.266 127 H PHE 20 H PHE 20 1.675 0.501 -9.158 128 HA PHE 20 HA PHE 20 0.249 1.450 -6.910 129 1HB PHE 20 1HB PHE 20 2.009 -0.256 -6.738 130 2HB PHE 20 2HB PHE 20 3.214 0.934 -7.218 131 HD1 PHE 20 1HD PHE 20 3.852 2.741 -5.698 132 HD2 PHE 20 2HD PHE 20 1.125 -0.308 -4.519 133 HE1 PHE 20 1HE PHE 20 4.169 3.372 -3.341 134 HE2 PHE 20 2HE PHE 20 1.438 0.319 -2.161 135 HZ PHE 20 HZ PHE 20 2.961 2.162 -1.569 136 H GLU 21 H GLU 21 3.185 2.764 -8.459 137 HA GLU 21 HA GLU 21 3.506 5.074 -7.061 138 1HB GLU 21 1HB GLU 21 4.014 4.322 -9.893 139 2HB GLU 21 2HB GLU 21 4.121 6.028 -9.482 140 1HG GLU 21 1HG GLU 21 5.783 5.527 -7.777 141 2HG GLU 21 2HG GLU 21 5.663 3.810 -8.154 142 H ASN 22 H ASN 22 1.072 4.404 -9.491 143 HA ASN 22 HA ASN 22 0.155 7.102 -9.719 144 1HB ASN 22 1HB ASN 22 -0.979 4.440 -10.565 145 2HB ASN 22 2HB ASN 22 -1.874 5.941 -10.785 146 1HD2 ASN 22 1HD2 ASN 22 -0.372 3.874 -12.538 147 2HD2 ASN 22 2HD2 ASN 22 0.498 4.876 -13.645 148 H SER 23 H SER 23 -1.023 4.219 -8.010 149 HA SER 23 HA SER 23 -3.312 5.380 -6.888 150 1HB SER 23 1HB SER 23 -1.583 3.116 -5.865 151 2HB SER 23 2HB SER 23 -3.172 3.527 -5.219 152 HG SER 23 HG SER 23 -2.490 2.449 -7.723 153 H MET 24 H MET 24 -0.107 4.863 -5.411 154 HA MET 24 HA MET 24 -0.549 6.070 -2.975 155 1HB MET 24 1HB MET 24 1.909 6.568 -2.979 156 2HB MET 24 2HB MET 24 1.501 4.901 -3.362 157 1HG MET 24 1HG MET 24 2.200 5.074 -5.518 158 2HG MET 24 2HG MET 24 1.830 6.794 -5.618 159 1HE MET 24 1HE MET 24 4.681 7.541 -6.683 160 2HE MET 24 2HE MET 24 3.238 8.271 -5.978 161 3HE MET 24 3HE MET 24 4.821 8.571 -5.258 162 H ASN 25 H ASN 25 0.159 7.566 -6.079 163 HA ASN 25 HA ASN 25 0.663 10.174 -5.155 164 1HB ASN 25 1HB ASN 25 1.165 9.351 -7.455 165 2HB ASN 25 2HB ASN 25 -0.561 9.370 -7.803 166 1HD2 ASN 25 1HD2 ASN 25 0.180 10.811 -9.537 167 2HD2 ASN 25 2HD2 ASN 25 0.334 12.497 -9.192 168 H GLN 26 H GLN 26 -2.337 8.650 -6.301 169 HA GLN 26 HA GLN 26 -4.039 10.820 -6.138 170 1HB GLN 26 1HB GLN 26 -4.775 7.991 -5.377 171 2HB GLN 26 2HB GLN 26 -5.854 9.243 -5.978 172 1HG GLN 26 1HG GLN 26 -3.879 7.575 -7.441 173 2HG GLN 26 2HG GLN 26 -5.538 7.995 -7.864 174 1HE2 GLN 26 1HE2 GLN 26 -2.704 8.263 -9.097 175 2HE2 GLN 26 2HE2 GLN 26 -2.719 9.866 -9.740 176 H VAL 27 H VAL 27 -3.146 8.527 -3.580 177 HA VAL 27 HA VAL 27 -4.801 9.531 -1.563 178 HB VAL 27 HB VAL 27 -2.078 8.257 -1.265 179 1HG1 VAL 27 1HG1 VAL 27 -2.841 7.666 0.994 180 2HG1 VAL 27 2HG1 VAL 27 -2.750 9.413 0.764 181 3HG1 VAL 27 3HG1 VAL 27 -4.314 8.598 0.731 182 1HG2 VAL 27 1HG2 VAL 27 -3.253 6.171 -1.001 183 2HG2 VAL 27 2HG2 VAL 27 -4.811 6.986 -1.139 184 3HG2 VAL 27 3HG2 VAL 27 -3.730 6.908 -2.531 185 H LYS 28 H LYS 28 -1.854 10.758 -2.898 186 HA LYS 28 HA LYS 28 -1.352 12.555 -0.678 187 1HB LYS 28 1HB LYS 28 -0.017 12.307 -3.380 188 2HB LYS 28 2HB LYS 28 0.519 13.373 -2.087 189 1HG LYS 28 1HG LYS 28 0.758 11.301 -0.657 190 2HG LYS 28 2HG LYS 28 0.531 10.370 -2.139 191 1HD LYS 28 1HD LYS 28 2.438 11.761 -3.106 192 2HD LYS 28 2HD LYS 28 2.753 12.275 -1.447 193 1HE LYS 28 1HE LYS 28 3.144 10.007 -0.761 194 2HE LYS 28 2HE LYS 28 2.637 9.396 -2.335 195 1HZ LYS 28 1HZ LYS 28 5.039 9.424 -2.140 196 2HZ LYS 28 2HZ LYS 28 5.026 11.085 -1.819 197 3HZ LYS 28 3HZ LYS 28 4.537 10.512 -3.334 198 H LEU 29 H LEU 29 -3.060 12.567 -3.661 199 HA LEU 29 HA LEU 29 -3.036 15.368 -4.142 200 1HB LEU 29 1HB LEU 29 -4.564 13.032 -5.145 201 2HB LEU 29 2HB LEU 29 -5.272 14.629 -5.382 202 HG LEU 29 HG LEU 29 -3.694 15.253 -6.916 203 1HD1 LEU 29 1HD1 LEU 29 -1.456 13.986 -7.060 204 2HD1 LEU 29 2HD1 LEU 29 -1.856 13.405 -5.444 205 3HD1 LEU 29 3HD1 LEU 29 -1.695 15.135 -5.744 206 1HD2 LEU 29 1HD2 LEU 29 -4.934 13.078 -7.545 207 2HD2 LEU 29 2HD2 LEU 29 -3.364 12.304 -7.328 208 3HD2 LEU 29 3HD2 LEU 29 -3.558 13.584 -8.526 209 H LEU 30 H LEU 30 -5.431 13.196 -2.656 210 HA LEU 30 HA LEU 30 -7.412 15.022 -2.074 211 1HB LEU 30 1HB LEU 30 -8.148 13.521 -0.354 212 2HB LEU 30 2HB LEU 30 -7.574 12.586 -1.734 213 HG LEU 30 HG LEU 30 -5.343 12.537 -0.297 214 1HD1 LEU 30 1HD1 LEU 30 -7.072 13.820 1.462 215 2HD1 LEU 30 2HD1 LEU 30 -5.510 13.098 1.845 216 3HD1 LEU 30 3HD1 LEU 30 -6.988 12.157 2.044 217 1HD2 LEU 30 1HD2 LEU 30 -6.769 10.636 -1.110 218 2HD2 LEU 30 2HD2 LEU 30 -7.670 10.757 0.401 219 3HD2 LEU 30 3HD2 LEU 30 -5.952 10.357 0.428 220 H LYS 31 H LYS 31 -7.298 16.895 -1.046 221 HA LYS 31 HA LYS 31 -5.258 17.306 1.005 222 1HB LYS 31 1HB LYS 31 -5.809 18.916 -0.978 223 2HB LYS 31 2HB LYS 31 -7.140 19.436 0.048 224 1HG LYS 31 1HG LYS 31 -5.397 20.941 0.474 225 2HG LYS 31 2HG LYS 31 -5.403 19.837 1.851 226 1HD LYS 31 1HD LYS 31 -3.611 18.524 0.675 227 2HD LYS 31 2HD LYS 31 -3.522 19.835 -0.504 228 1HE LYS 31 1HE LYS 31 -1.878 20.490 0.944 229 2HE LYS 31 2HE LYS 31 -3.263 21.310 1.664 230 1HZ LYS 31 1HZ LYS 31 -1.644 19.187 2.720 231 2HZ LYS 31 2HZ LYS 31 -3.301 18.872 2.844 232 3HZ LYS 31 3HZ LYS 31 -2.655 20.278 3.527 233 H LYS 32 H LYS 32 -7.823 15.746 1.343 234 HA LYS 32 HA LYS 32 -9.012 17.322 3.527 235 1HB LYS 32 1HB LYS 32 -10.114 15.088 1.830 236 2HB LYS 32 2HB LYS 32 -10.885 15.592 3.328 237 1HG LYS 32 1HG LYS 32 -11.199 17.831 2.437 238 2HG LYS 32 2HG LYS 32 -10.378 17.365 0.946 239 1HD LYS 32 1HD LYS 32 -12.635 17.181 0.400 240 2HD LYS 32 2HD LYS 32 -12.175 15.523 0.790 241 1HE LYS 32 1HE LYS 32 -13.346 15.520 2.766 242 2HE LYS 32 2HE LYS 32 -13.229 17.268 2.962 243 1HZ LYS 32 1HZ LYS 32 -15.416 15.938 2.098 244 2HZ LYS 32 2HZ LYS 32 -14.731 16.466 0.645 245 3HZ LYS 32 3HZ LYS 32 -15.121 17.585 1.851 246 H ASP 33 H ASP 33 -9.974 15.785 5.281 247 HA ASP 33 HA ASP 33 -7.911 13.796 5.972 248 1HB ASP 33 1HB ASP 33 -8.575 14.383 8.391 249 2HB ASP 33 2HB ASP 33 -7.579 15.539 7.510 250 HA PRO 34 HA PRO 34 -11.776 11.393 5.696 251 1HB PRO 34 1HB PRO 34 -10.519 9.055 5.125 252 2HB PRO 34 2HB PRO 34 -10.889 10.271 3.897 253 1HG PRO 34 1HG PRO 34 -8.312 9.747 5.327 254 2HG PRO 34 2HG PRO 34 -8.588 10.093 3.610 255 1HD PRO 34 1HD PRO 34 -7.733 11.977 5.356 256 2HD PRO 34 2HD PRO 34 -8.769 12.363 3.967 257 H GLY 35 H GLY 35 -8.798 10.784 7.470 258 1HA GLY 35 1HA GLY 35 -9.537 10.491 9.959 259 2HA GLY 35 2HA GLY 35 -10.220 9.004 9.319 260 H ASN 36 H ASN 36 -8.293 9.075 11.357 261 HA ASN 36 HA ASN 36 -5.669 8.655 10.357 262 1HB ASN 36 1HB ASN 36 -7.002 7.964 12.974 263 2HB ASN 36 2HB ASN 36 -5.314 7.584 12.646 264 1HD2 ASN 36 1HD2 ASN 36 -3.807 9.177 12.699 265 2HD2 ASN 36 2HD2 ASN 36 -4.148 10.804 13.169 266 H GLU 37 H GLU 37 -8.460 6.626 10.735 267 HA GLU 37 HA GLU 37 -7.311 4.099 10.811 268 1HB GLU 37 1HB GLU 37 -9.623 4.153 11.133 269 2HB GLU 37 2HB GLU 37 -9.896 5.142 9.705 270 1HG GLU 37 1HG GLU 37 -9.843 3.363 8.284 271 2HG GLU 37 2HG GLU 37 -8.775 2.422 9.324 272 H VAL 38 H VAL 38 -8.459 5.832 7.910 273 HA VAL 38 HA VAL 38 -7.383 3.995 6.064 274 HB VAL 38 HB VAL 38 -9.135 5.517 5.387 275 1HG1 VAL 38 1HG1 VAL 38 -8.265 7.398 6.869 276 2HG1 VAL 38 2HG1 VAL 38 -7.188 7.801 5.530 277 3HG1 VAL 38 3HG1 VAL 38 -8.937 7.856 5.304 278 1HG2 VAL 38 1HG2 VAL 38 -8.158 4.987 3.425 279 2HG2 VAL 38 2HG2 VAL 38 -7.680 6.685 3.433 280 3HG2 VAL 38 3HG2 VAL 38 -6.548 5.447 3.980 281 H LYS 39 H LYS 39 -6.208 7.216 7.045 282 HA LYS 39 HA LYS 39 -3.899 7.355 5.577 283 1HB LYS 39 1HB LYS 39 -4.791 8.471 8.165 284 2HB LYS 39 2HB LYS 39 -3.053 8.483 7.891 285 1HG LYS 39 1HG LYS 39 -3.565 10.495 6.991 286 2HG LYS 39 2HG LYS 39 -3.811 9.493 5.559 287 1HD LYS 39 1HD LYS 39 -5.788 10.607 5.515 288 2HD LYS 39 2HD LYS 39 -6.257 9.316 6.624 289 1HE LYS 39 1HE LYS 39 -5.476 12.146 7.266 290 2HE LYS 39 2HE LYS 39 -6.988 11.317 7.631 291 1HZ LYS 39 1HZ LYS 39 -4.508 10.247 8.764 292 2HZ LYS 39 2HZ LYS 39 -6.076 10.232 9.397 293 3HZ LYS 39 3HZ LYS 39 -5.157 11.651 9.450 294 H LEU 40 H LEU 40 -4.606 5.232 8.192 295 HA LEU 40 HA LEU 40 -1.812 4.557 8.646 296 1HB LEU 40 1HB LEU 40 -4.405 3.725 9.897 297 2HB LEU 40 2HB LEU 40 -2.922 2.823 10.202 298 HG LEU 40 HG LEU 40 -2.986 5.771 10.694 299 1HD1 LEU 40 1HD1 LEU 40 -4.576 3.767 12.087 300 2HD1 LEU 40 2HD1 LEU 40 -4.656 5.527 12.153 301 3HD1 LEU 40 3HD1 LEU 40 -3.489 4.660 13.151 302 1HD2 LEU 40 1HD2 LEU 40 -0.895 4.357 10.776 303 2HD2 LEU 40 2HD2 LEU 40 -1.591 3.564 12.190 304 3HD2 LEU 40 3HD2 LEU 40 -1.251 5.295 12.227 305 H LYS 41 H LYS 41 -4.743 3.101 7.308 306 HA LYS 41 HA LYS 41 -3.672 0.552 6.782 307 1HB LYS 41 1HB LYS 41 -5.656 0.100 5.727 308 2HB LYS 41 2HB LYS 41 -6.139 1.501 6.674 309 1HG LYS 41 1HG LYS 41 -5.927 2.939 4.769 310 2HG LYS 41 2HG LYS 41 -5.243 1.629 3.804 311 1HD LYS 41 1HD LYS 41 -7.748 2.222 3.525 312 2HD LYS 41 2HD LYS 41 -7.276 0.524 3.630 313 1HE LYS 41 1HE LYS 41 -7.935 0.413 5.923 314 2HE LYS 41 2HE LYS 41 -8.179 2.157 5.995 315 1HZ LYS 41 1HZ LYS 41 -9.939 0.095 5.024 316 2HZ LYS 41 2HZ LYS 41 -9.805 1.416 3.976 317 3HZ LYS 41 3HZ LYS 41 -10.299 1.654 5.576 318 H LEU 42 H LEU 42 -3.423 3.584 5.103 319 HA LEU 42 HA LEU 42 -2.486 2.446 2.634 320 1HB LEU 42 1HB LEU 42 -2.895 5.168 3.732 321 2HB LEU 42 2HB LEU 42 -1.717 4.994 2.433 322 HG LEU 42 HG LEU 42 -3.805 5.646 1.474 323 1HD1 LEU 42 1HD1 LEU 42 -2.400 3.811 0.398 324 2HD1 LEU 42 2HD1 LEU 42 -4.063 3.989 -0.158 325 3HD1 LEU 42 3HD1 LEU 42 -3.642 2.694 0.962 326 1HD2 LEU 42 1HD2 LEU 42 -5.351 3.280 2.190 327 2HD2 LEU 42 2HD2 LEU 42 -5.817 4.981 2.181 328 3HD2 LEU 42 3HD2 LEU 42 -4.964 4.308 3.571 329 H TYR 43 H TYR 43 -1.057 3.699 5.570 330 HA TYR 43 HA TYR 43 1.619 3.756 4.503 331 1HB TYR 43 1HB TYR 43 1.545 5.286 6.188 332 2HB TYR 43 2HB TYR 43 0.319 4.397 7.086 333 HD1 TYR 43 1HD TYR 43 3.919 4.771 6.472 334 HD2 TYR 43 2HD TYR 43 0.939 2.730 8.722 335 HE1 TYR 43 1HE TYR 43 5.651 3.959 8.018 336 HE2 TYR 43 2HE TYR 43 2.663 1.914 10.275 337 HH TYR 43 HH TYR 43 5.164 2.908 10.937 338 H ALA 44 H ALA 44 -0.344 1.570 6.428 339 HA ALA 44 HA ALA 44 1.617 -0.165 7.365 340 1HB ALA 44 1HB ALA 44 -0.259 -1.897 7.268 341 2HB ALA 44 2HB ALA 44 -0.538 -0.450 8.237 342 3HB ALA 44 3HB ALA 44 -1.263 -0.592 6.636 343 H LEU 45 H LEU 45 -0.196 -0.281 4.307 344 HA LEU 45 HA LEU 45 1.092 -2.619 3.342 345 1HB LEU 45 1HB LEU 45 -0.558 -0.463 2.077 346 2HB LEU 45 2HB LEU 45 0.215 -1.703 1.092 347 HG LEU 45 HG LEU 45 -1.933 -2.520 1.370 348 1HD1 LEU 45 1HD1 LEU 45 -0.604 -3.743 3.770 349 2HD1 LEU 45 2HD1 LEU 45 -0.089 -4.095 2.121 350 3HD1 LEU 45 3HD1 LEU 45 -1.728 -4.490 2.636 351 1HD2 LEU 45 1HD2 LEU 45 -2.871 -0.980 2.889 352 2HD2 LEU 45 2HD2 LEU 45 -1.767 -1.459 4.179 353 3HD2 LEU 45 3HD2 LEU 45 -3.039 -2.562 3.651 354 H TYR 46 H TYR 46 1.561 0.841 2.679 355 HA TYR 46 HA TYR 46 3.469 0.803 0.745 356 1HB TYR 46 1HB TYR 46 2.816 2.933 1.426 357 2HB TYR 46 2HB TYR 46 3.093 2.585 3.128 358 HD1 TYR 46 1HD TYR 46 5.058 2.736 -0.053 359 HD2 TYR 46 2HD TYR 46 4.910 3.601 4.110 360 HE1 TYR 46 1HE TYR 46 7.269 3.804 -0.203 361 HE2 TYR 46 2HE TYR 46 7.120 4.672 3.972 362 HH TYR 46 HH TYR 46 8.788 5.288 2.645 363 H LYS 47 H LYS 47 4.184 0.694 4.239 364 HA LYS 47 HA LYS 47 6.947 0.160 3.875 365 1HB LYS 47 1HB LYS 47 5.237 -0.386 6.307 366 2HB LYS 47 2HB LYS 47 6.991 -0.266 6.272 367 1HG LYS 47 1HG LYS 47 5.408 2.052 5.302 368 2HG LYS 47 2HG LYS 47 5.479 1.748 7.039 369 1HD LYS 47 1HD LYS 47 7.975 1.807 5.378 370 2HD LYS 47 2HD LYS 47 7.249 3.300 5.979 371 1HE LYS 47 1HE LYS 47 7.322 2.280 8.277 372 2HE LYS 47 2HE LYS 47 8.281 0.972 7.588 373 1HZ LYS 47 1HZ LYS 47 8.997 3.830 7.843 374 2HZ LYS 47 2HZ LYS 47 9.816 2.802 6.778 375 3HZ LYS 47 3HZ LYS 47 9.826 2.481 8.439 376 H GLN 48 H GLN 48 4.186 -1.790 3.612 377 HA GLN 48 HA GLN 48 5.548 -4.268 4.275 378 1HB GLN 48 1HB GLN 48 3.079 -3.767 4.737 379 2HB GLN 48 2HB GLN 48 2.825 -4.012 3.014 380 1HG GLN 48 1HG GLN 48 2.373 -6.104 3.753 381 2HG GLN 48 2HG GLN 48 4.112 -6.263 3.506 382 1HE2 GLN 48 1HE2 GLN 48 3.870 -8.040 5.031 383 2HE2 GLN 48 2HE2 GLN 48 3.909 -7.700 6.724 384 H ALA 49 H ALA 49 4.705 -2.389 1.476 385 HA ALA 49 HA ALA 49 5.496 -4.563 -0.321 386 1HB ALA 49 1HB ALA 49 4.028 -3.719 -1.759 387 2HB ALA 49 2HB ALA 49 3.533 -2.588 -0.498 388 3HB ALA 49 3HB ALA 49 4.770 -2.121 -1.666 389 H THR 50 H THR 50 7.163 -2.543 1.426 390 HA THR 50 HA THR 50 9.146 -2.033 -0.686 391 HB THR 50 HB THR 50 9.787 0.072 0.510 392 HG1 THR 50 1HG THR 50 7.366 -0.484 1.905 393 1HG2 THR 50 1HG2 THR 50 7.140 -0.283 -0.836 394 2HG2 THR 50 2HG2 THR 50 8.599 0.517 -1.423 395 3HG2 THR 50 3HG2 THR 50 7.593 1.300 -0.206 396 H GLU 51 H GLU 51 8.564 -2.311 2.805 397 HA GLU 51 HA GLU 51 11.359 -3.146 3.159 398 1HB GLU 51 1HB GLU 51 9.400 -2.457 5.345 399 2HB GLU 51 2HB GLU 51 11.150 -2.580 5.465 400 1HG GLU 51 1HG GLU 51 11.323 -0.627 3.932 401 2HG GLU 51 2HG GLU 51 9.570 -0.463 4.027 402 H GLY 52 H GLY 52 8.023 -4.130 3.677 403 1HA GLY 52 1HA GLY 52 7.535 -6.511 3.396 404 2HA GLY 52 2HA GLY 52 9.015 -6.845 4.283 405 HA PRO 53 HA PRO 53 5.729 -7.355 7.394 406 1HB PRO 53 1HB PRO 53 7.130 -9.144 8.879 407 2HB PRO 53 2HB PRO 53 6.198 -9.603 7.449 408 1HG PRO 53 1HG PRO 53 9.140 -9.116 7.718 409 2HG PRO 53 2HG PRO 53 8.295 -10.406 6.842 410 1HD PRO 53 1HD PRO 53 9.310 -8.225 5.600 411 2HD PRO 53 2HD PRO 53 7.848 -9.055 5.029 412 H CYS 54 H CYS 54 5.510 -6.273 9.277 413 HA CYS 54 HA CYS 54 7.233 -4.309 10.098 414 1HB CYS 54 1HB CYS 54 5.006 -4.268 10.921 415 2HB CYS 54 2HB CYS 54 5.167 -5.861 11.651 416 HG CYS 54 HG CYS 54 6.803 -5.060 13.719 417 H ASN 55 H ASN 55 9.332 -4.622 10.521 418 HA ASN 55 HA ASN 55 10.039 -6.699 12.489 419 1HB ASN 55 1HB ASN 55 12.102 -7.071 11.385 420 2HB ASN 55 2HB ASN 55 10.891 -7.022 10.108 421 1HD2 ASN 55 1HD2 ASN 55 10.720 -5.114 8.832 422 2HD2 ASN 55 2HD2 ASN 55 12.083 -4.069 8.638 423 H MET 56 H MET 56 9.337 -3.728 12.665 424 HA MET 56 HA MET 56 11.823 -2.655 13.760 425 1HB MET 56 1HB MET 56 10.336 -0.584 14.090 426 2HB MET 56 2HB MET 56 10.747 -1.043 12.443 427 1HG MET 56 1HG MET 56 8.591 -2.016 12.106 428 2HG MET 56 2HG MET 56 8.176 -1.799 13.805 429 1HE MET 56 1HE MET 56 9.083 1.907 13.947 430 2HE MET 56 2HE MET 56 7.455 1.531 14.511 431 3HE MET 56 3HE MET 56 8.783 0.421 14.850 432 HA PRO 57 HA PRO 57 10.822 -3.362 17.973 433 1HB PRO 57 1HB PRO 57 11.822 -1.132 19.157 434 2HB PRO 57 2HB PRO 57 12.847 -2.413 18.499 435 1HG PRO 57 1HG PRO 57 12.082 0.213 17.282 436 2HG PRO 57 2HG PRO 57 13.663 -0.590 17.309 437 1HD PRO 57 1HD PRO 57 12.034 -0.652 15.147 438 2HD PRO 57 2HD PRO 57 13.121 -1.993 15.562 439 H LYS 58 H LYS 58 9.062 -3.142 19.217 440 HA LYS 58 HA LYS 58 6.937 -1.460 18.534 441 1HB LYS 58 1HB LYS 58 6.823 -3.605 19.864 442 2HB LYS 58 2HB LYS 58 7.389 -2.689 21.255 443 1HG LYS 58 1HG LYS 58 5.418 -1.531 21.469 444 2HG LYS 58 2HG LYS 58 4.985 -1.740 19.770 445 1HD LYS 58 1HD LYS 58 4.411 -4.033 20.127 446 2HD LYS 58 2HD LYS 58 5.071 -4.000 21.764 447 1HE LYS 58 1HE LYS 58 2.874 -2.121 21.007 448 2HE LYS 58 2HE LYS 58 2.496 -3.802 21.379 449 1HZ LYS 58 1HZ LYS 58 2.711 -1.822 23.197 450 2HZ LYS 58 2HZ LYS 58 4.236 -2.547 23.299 451 3HZ LYS 58 3HZ LYS 58 2.842 -3.473 23.546 452 HA PRO 59 HA PRO 59 8.346 2.366 20.301 453 1HB PRO 59 1HB PRO 59 6.067 3.766 19.835 454 2HB PRO 59 2HB PRO 59 7.240 3.390 18.567 455 1HG PRO 59 1HG PRO 59 4.662 2.020 19.230 456 2HG PRO 59 2HG PRO 59 5.326 2.446 17.642 457 1HD PRO 59 1HD PRO 59 5.478 -0.058 18.660 458 2HD PRO 59 2HD PRO 59 6.730 0.619 17.598 459 H GLY 60 H GLY 60 7.557 3.931 21.957 460 1HA GLY 60 1HA GLY 60 6.305 2.454 24.143 461 2HA GLY 60 2HA GLY 60 7.171 3.978 24.278 462 H VAL 61 H VAL 61 4.589 3.276 25.397 463 HA VAL 61 HA VAL 61 2.361 4.153 24.083 464 HB VAL 61 HB VAL 61 1.551 5.004 26.328 465 1HG1 VAL 61 1HG1 VAL 61 1.330 2.648 25.447 466 2HG1 VAL 61 2HG1 VAL 61 2.727 2.236 26.445 467 3HG1 VAL 61 3HG1 VAL 61 1.245 2.825 27.199 468 1HG2 VAL 61 1HG2 VAL 61 3.072 4.198 28.239 469 2HG2 VAL 61 2HG2 VAL 61 4.366 4.251 27.042 470 3HG2 VAL 61 3HG2 VAL 61 3.474 5.719 27.441 471 H PHE 62 H PHE 62 4.632 6.198 25.913 472 HA PHE 62 HA PHE 62 3.489 8.651 25.667 473 1HB PHE 62 1HB PHE 62 6.422 8.350 25.090 474 2HB PHE 62 2HB PHE 62 5.602 9.598 26.022 475 HD1 PHE 62 1HD PHE 62 7.961 7.406 26.532 476 HD2 PHE 62 2HD PHE 62 3.964 8.020 27.860 477 HE1 PHE 62 1HE PHE 62 8.466 6.181 28.605 478 HE2 PHE 62 2HE PHE 62 4.462 6.797 29.936 479 HZ PHE 62 HZ PHE 62 6.715 5.876 30.311 480 H ASP 63 H ASP 63 5.033 6.792 23.145 481 HA ASP 63 HA ASP 63 4.733 9.003 21.248 482 1HB ASP 63 1HB ASP 63 6.304 6.456 21.264 483 2HB ASP 63 2HB ASP 63 5.880 7.188 19.719 484 H LEU 64 H LEU 64 2.327 8.617 21.602 485 HA LEU 64 HA LEU 64 0.986 6.358 20.696 486 1HB LEU 64 1HB LEU 64 0.013 9.186 20.361 487 2HB LEU 64 2HB LEU 64 -0.962 7.726 20.521 488 HG LEU 64 HG LEU 64 0.758 8.912 22.699 489 1HD1 LEU 64 1HD1 LEU 64 -1.929 9.520 21.792 490 2HD1 LEU 64 2HD1 LEU 64 -0.903 10.371 22.947 491 3HD1 LEU 64 3HD1 LEU 64 -1.888 9.009 23.480 492 1HD2 LEU 64 1HD2 LEU 64 -1.382 7.016 23.350 493 2HD2 LEU 64 2HD2 LEU 64 0.262 7.138 23.980 494 3HD2 LEU 64 3HD2 LEU 64 -0.037 6.324 22.443 495 H ILE 65 H ILE 65 2.145 9.172 18.901 496 HA ILE 65 HA ILE 65 0.973 8.795 16.451 497 HB ILE 65 HB ILE 65 3.852 9.592 16.894 498 1HG1 ILE 65 1HG1 ILE 65 1.266 11.121 17.048 499 2HG1 ILE 65 2HG1 ILE 65 2.590 11.081 18.207 500 1HG2 ILE 65 1HG2 ILE 65 3.716 10.692 14.766 501 2HG2 ILE 65 2HG2 ILE 65 3.231 9.010 14.559 502 3HG2 ILE 65 3HG2 ILE 65 2.009 10.280 14.612 503 1HD1 ILE 65 1HD1 ILE 65 2.404 13.205 16.953 504 2HD1 ILE 65 2HD1 ILE 65 3.965 12.405 16.765 505 3HD1 ILE 65 3HD1 ILE 65 2.768 12.319 15.472 506 H ASN 66 H ASN 66 4.116 7.431 17.452 507 HA ASN 66 HA ASN 66 4.412 5.811 15.154 508 1HB ASN 66 1HB ASN 66 5.694 5.707 17.886 509 2HB ASN 66 2HB ASN 66 6.140 4.614 16.579 510 1HD2 ASN 66 1HD2 ASN 66 6.302 7.837 17.802 511 2HD2 ASN 66 2HD2 ASN 66 7.431 8.446 16.645 512 H LYS 67 H LYS 67 3.319 5.081 18.455 513 HA LYS 67 HA LYS 67 2.942 2.362 18.258 514 1HB LYS 67 1HB LYS 67 2.507 4.087 20.214 515 2HB LYS 67 2HB LYS 67 0.848 3.987 19.637 516 1HG LYS 67 1HG LYS 67 1.059 2.420 21.390 517 2HG LYS 67 2HG LYS 67 1.019 1.494 19.888 518 1HD LYS 67 1HD LYS 67 3.210 0.864 20.058 519 2HD LYS 67 2HD LYS 67 3.672 2.318 20.945 520 1HE LYS 67 1HE LYS 67 1.825 0.398 22.262 521 2HE LYS 67 2HE LYS 67 3.522 -0.054 22.117 522 1HZ LYS 67 1HZ LYS 67 2.608 1.327 24.154 523 2HZ LYS 67 2HZ LYS 67 2.930 2.624 23.118 524 3HZ LYS 67 3HZ LYS 67 4.171 1.558 23.549 525 H ALA 68 H ALA 68 0.913 4.950 17.025 526 HA ALA 68 HA ALA 68 -1.344 3.389 16.370 527 1HB ALA 68 1HB ALA 68 -1.474 5.803 16.498 528 2HB ALA 68 2HB ALA 68 -0.358 5.960 15.142 529 3HB ALA 68 3HB ALA 68 -1.956 5.258 14.891 530 H LYS 69 H LYS 69 1.523 4.319 14.502 531 HA LYS 69 HA LYS 69 0.675 3.019 12.109 532 1HB LYS 69 1HB LYS 69 3.195 4.294 13.073 533 2HB LYS 69 2HB LYS 69 3.284 3.225 11.679 534 1HG LYS 69 1HG LYS 69 2.929 5.187 10.605 535 2HG LYS 69 2HG LYS 69 1.249 4.717 10.873 536 1HD LYS 69 1HD LYS 69 1.312 6.063 12.990 537 2HD LYS 69 2HD LYS 69 2.895 6.658 12.487 538 1HE LYS 69 1HE LYS 69 1.596 8.319 11.629 539 2HE LYS 69 2HE LYS 69 1.564 7.207 10.262 540 1HZ LYS 69 1HZ LYS 69 -0.634 8.191 11.124 541 2HZ LYS 69 2HZ LYS 69 -0.501 7.039 12.356 542 3HZ LYS 69 3HZ LYS 69 -0.579 6.545 10.740 543 H TRP 70 H TRP 70 2.954 2.168 14.695 544 HA TRP 70 HA TRP 70 4.001 -0.170 13.740 545 1HB TRP 70 1HB TRP 70 4.414 1.017 15.990 546 2HB TRP 70 2HB TRP 70 3.075 0.046 16.597 547 HD1 TRP 70 HD TRP 70 6.644 -0.337 15.210 548 HE1 TRP 70 1HE TRP 70 7.572 -2.610 15.981 549 HE3 TRP 70 3HE TRP 70 2.426 -2.240 17.383 550 HZ2 TRP 70 2HZ TRP 70 6.640 -4.907 17.331 551 HZ3 TRP 70 3HZ TRP 70 2.528 -4.482 18.391 552 HH2 TRP 70 HH TRP 70 4.592 -5.787 18.364 553 H ASP 71 H ASP 71 0.817 0.335 15.159 554 HA ASP 71 HA ASP 71 0.131 -2.451 15.161 555 1HB ASP 71 1HB ASP 71 -1.335 0.103 15.709 556 2HB ASP 71 2HB ASP 71 -2.251 -1.379 15.450 557 H ALA 72 H ALA 72 -0.055 0.160 12.897 558 HA ALA 72 HA ALA 72 -2.030 -1.062 11.203 559 1HB ALA 72 1HB ALA 72 -0.485 0.863 9.783 560 2HB ALA 72 2HB ALA 72 -2.143 0.991 10.374 561 3HB ALA 72 3HB ALA 72 -0.798 1.475 11.407 562 H TRP 73 H TRP 73 1.497 -0.702 11.149 563 HA TRP 73 HA TRP 73 1.761 -2.176 8.689 564 1HB TRP 73 1HB TRP 73 3.347 -0.381 9.311 565 2HB TRP 73 2HB TRP 73 3.883 -1.348 10.682 566 HD1 TRP 73 HD TRP 73 3.299 -3.450 7.663 567 HE1 TRP 73 1HE TRP 73 5.546 -4.086 6.580 568 HE3 TRP 73 3HE TRP 73 6.366 -0.259 10.222 569 HZ2 TRP 73 2HZ TRP 73 8.259 -3.335 6.784 570 HZ3 TRP 73 3HZ TRP 73 8.774 -0.281 9.719 571 HH2 TRP 73 HH TRP 73 9.699 -1.788 8.036 572 H ASN 74 H ASN 74 1.963 -2.849 12.115 573 HA ASN 74 HA ASN 74 3.221 -5.385 11.894 574 1HB ASN 74 1HB ASN 74 3.285 -4.232 14.005 575 2HB ASN 74 2HB ASN 74 1.527 -4.163 14.078 576 1HD2 ASN 74 1HD2 ASN 74 1.502 -5.202 16.070 577 2HD2 ASN 74 2HD2 ASN 74 1.811 -6.895 16.225 578 H ALA 75 H ALA 75 -0.177 -4.435 12.373 579 HA ALA 75 HA ALA 75 -1.490 -6.760 12.578 580 1HB ALA 75 1HB ALA 75 -2.113 -4.237 11.178 581 2HB ALA 75 2HB ALA 75 -3.123 -5.626 10.776 582 3HB ALA 75 3HB ALA 75 -2.998 -5.081 12.449 583 H LEU 76 H LEU 76 -0.076 -5.523 9.581 584 HA LEU 76 HA LEU 76 -1.062 -7.355 7.766 585 1HB LEU 76 1HB LEU 76 1.511 -5.849 7.957 586 2HB LEU 76 2HB LEU 76 1.280 -7.029 6.668 587 HG LEU 76 HG LEU 76 0.815 -4.610 6.090 588 1HD1 LEU 76 1HD1 LEU 76 -1.213 -6.788 5.687 589 2HD1 LEU 76 2HD1 LEU 76 0.051 -6.242 4.585 590 3HD1 LEU 76 3HD1 LEU 76 -1.347 -5.214 4.902 591 1HD2 LEU 76 1HD2 LEU 76 -1.721 -5.091 7.643 592 2HD2 LEU 76 2HD2 LEU 76 -1.243 -3.624 6.789 593 3HD2 LEU 76 3HD2 LEU 76 -0.372 -4.125 8.239 594 H GLY 77 H GLY 77 1.940 -7.622 9.676 595 1HA GLY 77 1HA GLY 77 2.823 -9.561 10.631 596 2HA GLY 77 2HA GLY 77 1.605 -10.505 9.785 597 H SER 78 H SER 78 2.642 -11.967 8.597 598 HA SER 78 HA SER 78 5.186 -11.331 7.354 599 1HB SER 78 1HB SER 78 4.756 -13.535 8.473 600 2HB SER 78 2HB SER 78 3.605 -13.906 7.189 601 HG SER 78 HG SER 78 5.461 -13.464 5.734 602 H LEU 79 H LEU 79 2.702 -10.022 6.445 603 HA LEU 79 HA LEU 79 1.801 -11.081 4.009 604 1HB LEU 79 1HB LEU 79 0.848 -9.163 5.422 605 2HB LEU 79 2HB LEU 79 2.004 -8.140 4.570 606 HG LEU 79 HG LEU 79 -0.247 -8.011 3.605 607 1HD1 LEU 79 1HD1 LEU 79 1.226 -9.440 1.490 608 2HD1 LEU 79 2HD1 LEU 79 2.090 -8.123 2.282 609 3HD1 LEU 79 3HD1 LEU 79 0.539 -7.816 1.502 610 1HD2 LEU 79 1HD2 LEU 79 -0.203 -10.811 3.970 611 2HD2 LEU 79 2HD2 LEU 79 -0.324 -10.512 2.236 612 3HD2 LEU 79 3HD2 LEU 79 -1.512 -9.813 3.337 613 HA PRO 80 HA PRO 80 5.457 -10.480 1.551 614 1HB PRO 80 1HB PRO 80 4.361 -11.286 -0.798 615 2HB PRO 80 2HB PRO 80 4.855 -12.415 0.469 616 1HG PRO 80 1HG PRO 80 2.127 -11.363 -0.172 617 2HG PRO 80 2HG PRO 80 2.620 -13.016 0.240 618 1HD PRO 80 1HD PRO 80 1.481 -11.344 2.040 619 2HD PRO 80 2HD PRO 80 2.681 -12.569 2.500 620 H LYS 81 H LYS 81 6.189 -9.068 -0.075 621 HA LYS 81 HA LYS 81 4.965 -6.557 -0.190 622 1HB LYS 81 1HB LYS 81 7.180 -7.876 -1.707 623 2HB LYS 81 2HB LYS 81 6.565 -6.327 -2.268 624 1HG LYS 81 1HG LYS 81 7.391 -5.189 -0.477 625 2HG LYS 81 2HG LYS 81 7.277 -6.581 0.602 626 1HD LYS 81 1HD LYS 81 9.125 -7.534 -1.047 627 2HD LYS 81 2HD LYS 81 9.429 -5.814 -1.301 628 1HE LYS 81 1HE LYS 81 10.818 -6.176 0.469 629 2HE LYS 81 2HE LYS 81 9.339 -5.787 1.346 630 1HZ LYS 81 1HZ LYS 81 10.846 -8.099 1.537 631 2HZ LYS 81 2HZ LYS 81 9.420 -8.549 0.747 632 3HZ LYS 81 3HZ LYS 81 9.346 -7.791 2.257 633 H GLU 82 H GLU 82 4.966 -9.225 -2.522 634 HA GLU 82 HA GLU 82 3.759 -8.085 -4.689 635 1HB GLU 82 1HB GLU 82 3.322 -10.822 -3.495 636 2HB GLU 82 2HB GLU 82 2.672 -10.343 -5.056 637 1HG GLU 82 1HG GLU 82 4.590 -11.340 -5.739 638 2HG GLU 82 2HG GLU 82 5.186 -9.696 -5.516 639 H ALA 83 H ALA 83 1.935 -9.782 -2.133 640 HA ALA 83 HA ALA 83 -0.590 -8.875 -2.963 641 1HB ALA 83 1HB ALA 83 -0.696 -9.337 -0.182 642 2HB ALA 83 2HB ALA 83 -1.179 -10.421 -1.487 643 3HB ALA 83 3HB ALA 83 0.466 -10.481 -0.855 644 H ALA 84 H ALA 84 1.665 -7.615 -0.537 645 HA ALA 84 HA ALA 84 0.154 -5.672 0.664 646 1HB ALA 84 1HB ALA 84 2.108 -5.322 1.650 647 2HB ALA 84 2HB ALA 84 2.929 -6.247 0.392 648 3HB ALA 84 3HB ALA 84 2.689 -4.511 0.195 649 H ARG 85 H ARG 85 2.003 -5.340 -2.360 650 HA ARG 85 HA ARG 85 1.354 -2.670 -2.882 651 1HB ARG 85 1HB ARG 85 2.208 -4.977 -4.591 652 2HB ARG 85 2HB ARG 85 1.718 -3.469 -5.350 653 1HG ARG 85 1HG ARG 85 3.430 -2.465 -3.593 654 2HG ARG 85 2HG ARG 85 4.113 -4.087 -3.722 655 1HD ARG 85 1HD ARG 85 3.889 -3.664 -6.288 656 2HD ARG 85 2HD ARG 85 3.839 -1.968 -5.810 657 HE ARG 85 HE ARG 85 6.078 -2.071 -5.373 658 1HH1 ARG 85 2HH1 ARG 85 4.806 -5.309 -5.506 659 2HH1 ARG 85 1HH1 ARG 85 6.362 -6.064 -5.397 660 1HH2 ARG 85 2HH2 ARG 85 8.132 -3.054 -5.228 661 2HH2 ARG 85 1HH2 ARG 85 8.253 -4.780 -5.237 662 H GLN 86 H GLN 86 -0.330 -5.662 -3.701 663 HA GLN 86 HA GLN 86 -2.292 -4.513 -5.370 664 1HB GLN 86 1HB GLN 86 -1.660 -7.005 -4.997 665 2HB GLN 86 2HB GLN 86 -2.813 -6.933 -3.671 666 1HG GLN 86 1HG GLN 86 -3.311 -6.611 -6.605 667 2HG GLN 86 2HG GLN 86 -4.026 -7.764 -5.480 668 1HE2 GLN 86 1HE2 GLN 86 -4.414 -4.837 -7.061 669 2HE2 GLN 86 2HE2 GLN 86 -5.781 -4.248 -6.185 670 H ASN 87 H ASN 87 -2.217 -5.166 -1.891 671 HA ASN 87 HA ASN 87 -4.870 -4.436 -1.328 672 1HB ASN 87 1HB ASN 87 -2.365 -4.482 0.349 673 2HB ASN 87 2HB ASN 87 -3.920 -3.993 1.015 674 1HD2 ASN 87 1HD2 ASN 87 -1.967 -6.604 -0.060 675 2HD2 ASN 87 2HD2 ASN 87 -3.045 -7.881 0.381 676 H TYR 88 H TYR 88 -1.866 -2.536 -1.128 677 HA TYR 88 HA TYR 88 -2.905 -0.144 -0.227 678 1HB TYR 88 1HB TYR 88 -0.487 -0.632 -0.533 679 2HB TYR 88 2HB TYR 88 -0.698 -0.460 -2.272 680 HD1 TYR 88 1HD TYR 88 0.207 1.205 0.686 681 HD2 TYR 88 2HD TYR 88 -1.767 1.832 -3.031 682 HE1 TYR 88 1HE TYR 88 0.614 3.623 0.885 683 HE2 TYR 88 2HE TYR 88 -1.364 4.251 -2.843 684 HH TYR 88 HH TYR 88 -0.816 5.834 -0.325 685 H VAL 89 H VAL 89 -2.212 -0.871 -3.653 686 HA VAL 89 HA VAL 89 -3.498 1.321 -4.756 687 HB VAL 89 HB VAL 89 -3.704 -0.028 -6.835 688 1HG1 VAL 89 1HG1 VAL 89 -1.629 1.152 -6.289 689 2HG1 VAL 89 2HG1 VAL 89 -1.045 -0.274 -5.430 690 3HG1 VAL 89 3HG1 VAL 89 -1.311 -0.340 -7.172 691 1HG2 VAL 89 1HG2 VAL 89 -2.482 -2.320 -6.631 692 2HG2 VAL 89 2HG2 VAL 89 -2.979 -2.224 -4.942 693 3HG2 VAL 89 3HG2 VAL 89 -4.193 -2.200 -6.221 694 H ASP 90 H ASP 90 -4.815 -1.948 -4.242 695 HA ASP 90 HA ASP 90 -7.328 -1.677 -5.260 696 1HB ASP 90 1HB ASP 90 -6.850 -3.797 -4.428 697 2HB ASP 90 2HB ASP 90 -6.286 -3.173 -2.881 698 H LEU 91 H LEU 91 -6.134 -0.430 -2.193 699 HA LEU 91 HA LEU 91 -8.678 0.447 -1.246 700 1HB LEU 91 1HB LEU 91 -6.805 -0.021 0.255 701 2HB LEU 91 2HB LEU 91 -5.900 1.313 -0.456 702 HG LEU 91 HG LEU 91 -6.884 1.823 1.767 703 1HD1 LEU 91 1HD1 LEU 91 -6.442 3.503 -0.132 704 2HD1 LEU 91 2HD1 LEU 91 -7.443 4.013 1.227 705 3HD1 LEU 91 3HD1 LEU 91 -8.198 3.549 -0.298 706 1HD2 LEU 91 1HD2 LEU 91 -8.973 0.464 1.325 707 2HD2 LEU 91 2HD2 LEU 91 -9.544 1.828 0.362 708 3HD2 LEU 91 3HD2 LEU 91 -9.213 2.039 2.083 709 H VAL 92 H VAL 92 -5.854 2.241 -2.489 710 HA VAL 92 HA VAL 92 -6.864 4.778 -2.541 711 HB VAL 92 HB VAL 92 -5.149 3.511 -4.682 712 1HG1 VAL 92 1HG1 VAL 92 -6.368 6.008 -4.697 713 2HG1 VAL 92 2HG1 VAL 92 -4.711 6.324 -4.180 714 3HG1 VAL 92 3HG1 VAL 92 -5.017 5.485 -5.701 715 1HG2 VAL 92 1HG2 VAL 92 -3.956 3.231 -2.709 716 2HG2 VAL 92 2HG2 VAL 92 -3.348 4.770 -3.319 717 3HG2 VAL 92 3HG2 VAL 92 -4.543 4.746 -2.022 718 H SER 93 H SER 93 -7.540 2.162 -4.789 719 HA SER 93 HA SER 93 -8.899 3.723 -6.724 720 1HB SER 93 1HB SER 93 -7.961 1.302 -6.902 721 2HB SER 93 2HB SER 93 -9.521 0.824 -6.234 722 HG SER 93 HG SER 93 -10.482 2.014 -7.994 723 H SER 94 H SER 94 -9.866 2.213 -3.732 724 HA SER 94 HA SER 94 -12.654 2.238 -4.114 725 1HB SER 94 1HB SER 94 -10.986 2.370 -1.595 726 2HB SER 94 2HB SER 94 -12.741 2.204 -1.591 727 HG SER 94 HG SER 94 -11.107 0.426 -3.049 728 H LEU 95 H LEU 95 -10.415 4.669 -2.877 729 HA LEU 95 HA LEU 95 -12.521 6.529 -2.235 730 1HB LEU 95 1HB LEU 95 -9.530 6.871 -2.367 731 2HB LEU 95 2HB LEU 95 -10.657 8.094 -1.785 732 HG LEU 95 HG LEU 95 -10.471 5.388 -0.495 733 1HD1 LEU 95 1HD1 LEU 95 -8.551 7.604 -0.389 734 2HD1 LEU 95 2HD1 LEU 95 -8.352 5.903 0.029 735 3HD1 LEU 95 3HD1 LEU 95 -9.094 7.012 1.181 736 1HD2 LEU 95 1HD2 LEU 95 -11.058 7.231 1.416 737 2HD2 LEU 95 2HD2 LEU 95 -12.255 6.294 0.521 738 3HD2 LEU 95 3HD2 LEU 95 -11.847 7.930 0.002 739 H SER 96 H SER 96 -9.794 6.619 -4.537 740 HA SER 96 HA SER 96 -10.298 8.849 -5.949 741 1HB SER 96 1HB SER 96 -9.414 7.689 -7.967 742 2HB SER 96 2HB SER 96 -8.453 7.374 -6.522 743 HG SER 96 HG SER 96 -10.089 5.462 -6.436 744 HA PRO 97 HA PRO 97 -14.486 8.373 -7.376 745 1HB PRO 97 1HB PRO 97 -14.582 10.711 -8.754 746 2HB PRO 97 2HB PRO 97 -14.704 10.628 -6.992 747 1HG PRO 97 1HG PRO 97 -12.333 11.282 -8.698 748 2HG PRO 97 2HG PRO 97 -12.887 12.063 -7.206 749 1HD PRO 97 1HD PRO 97 -10.856 10.272 -7.245 750 2HD PRO 97 2HD PRO 97 -11.955 10.440 -5.861 751 H SER 98 H SER 98 -12.062 9.666 -9.660 752 HA SER 98 HA SER 98 -12.422 7.552 -11.519 753 1HB SER 98 1HB SER 98 -13.856 10.151 -12.036 754 2HB SER 98 2HB SER 98 -13.336 9.109 -13.361 755 HG SER 98 HG SER 98 -15.520 8.890 -11.909 756 H LEU 99 H LEU 99 -10.434 7.344 -12.282 757 HA LEU 99 HA LEU 99 -8.977 9.758 -13.114 758 1HB LEU 99 1HB LEU 99 -8.113 7.598 -11.263 759 2HB LEU 99 2HB LEU 99 -6.913 8.284 -12.357 760 HG LEU 99 HG LEU 99 -8.556 10.008 -10.524 761 1HD1 LEU 99 1HD1 LEU 99 -5.844 8.857 -9.901 762 2HD1 LEU 99 2HD1 LEU 99 -7.356 8.255 -9.222 763 3HD1 LEU 99 3HD1 LEU 99 -6.829 9.902 -8.877 764 1HD2 LEU 99 1HD2 LEU 99 -5.794 10.693 -11.246 765 2HD2 LEU 99 2HD2 LEU 99 -7.243 11.698 -11.208 766 3HD2 LEU 99 3HD2 LEU 99 -6.927 10.656 -12.597 767 H GLU 100 H GLU 100 -6.898 8.980 -14.375 768 HA GLU 100 HA GLU 100 -7.854 7.052 -16.379 769 1HB GLU 100 1HB GLU 100 -6.165 9.504 -16.515 770 2HB GLU 100 2HB GLU 100 -5.841 8.217 -17.669 771 1HG GLU 100 1HG GLU 100 -8.596 9.328 -17.276 772 2HG GLU 100 2HG GLU 100 -7.435 10.070 -18.375 773 H SER 101 H SER 101 -6.001 5.912 -17.562 774 HA SER 101 HA SER 101 -3.690 5.313 -15.919 775 1HB SER 101 1HB SER 101 -4.147 2.878 -15.878 776 2HB SER 101 2HB SER 101 -5.349 3.795 -14.970 777 HG SER 101 HG SER 101 -6.196 2.145 -16.422 778 H SER 102 H SER 102 -2.193 3.798 -17.026 779 HA SER 102 HA SER 102 -1.970 4.517 -19.793 780 1HB SER 102 1HB SER 102 0.022 4.352 -18.370 781 2HB SER 102 2HB SER 102 -0.289 2.635 -18.118 782 HG SER 102 HG SER 102 -0.131 3.512 -20.752 783 H SER 103 H SER 103 -2.676 3.428 -21.503 784 HA SER 103 HA SER 103 -3.891 0.810 -21.101 785 1HB SER 103 1HB SER 103 -4.813 1.142 -23.374 786 2HB SER 103 2HB SER 103 -5.198 2.489 -22.304 787 HG SER 103 HG SER 103 -3.468 2.385 -24.495 788 H GLN 104 H GLN 104 -1.417 2.344 -23.125 789 HA GLN 104 HA GLN 104 -0.665 -0.164 -24.337 790 1HB GLN 104 1HB GLN 104 0.977 1.111 -25.552 791 2HB GLN 104 2HB GLN 104 -0.539 2.001 -25.555 792 1HG GLN 104 1HG GLN 104 0.916 3.685 -25.089 793 2HG GLN 104 2HG GLN 104 0.510 3.168 -23.454 794 1HE2 GLN 104 1HE2 GLN 104 2.799 2.309 -26.030 795 2HE2 GLN 104 2HE2 GLN 104 4.173 2.161 -24.993 796 H VAL 105 H VAL 105 1.094 -1.409 -23.884 797 HA VAL 105 HA VAL 105 2.710 -0.619 -21.547 798 HB VAL 105 HB VAL 105 1.920 -3.436 -22.297 799 1HG1 VAL 105 1HG1 VAL 105 4.088 -2.609 -20.856 800 2HG1 VAL 105 2HG1 VAL 105 2.885 -2.879 -19.594 801 3HG1 VAL 105 3HG1 VAL 105 3.307 -4.182 -20.705 802 1HG2 VAL 105 1HG2 VAL 105 0.965 -2.288 -19.767 803 2HG2 VAL 105 2HG2 VAL 105 0.247 -1.592 -21.220 804 3HG2 VAL 105 3HG2 VAL 105 0.137 -3.328 -20.927 805 H GLU 106 H GLU 106 4.829 -0.500 -21.885 806 HA GLU 106 HA GLU 106 5.923 -1.270 -24.441 807 1HB GLU 106 1HB GLU 106 6.521 0.842 -23.159 808 2HB GLU 106 2HB GLU 106 7.441 -0.187 -22.070 809 1HG GLU 106 1HG GLU 106 8.755 -0.972 -24.032 810 2HG GLU 106 2HG GLU 106 7.913 0.227 -25.010 811 HA PRO 107 HA PRO 107 7.368 -5.254 -23.223 812 1HB PRO 107 1HB PRO 107 9.206 -5.616 -25.188 813 2HB PRO 107 2HB PRO 107 7.465 -5.729 -25.469 814 1HG PRO 107 1HG PRO 107 9.326 -3.446 -26.004 815 2HG PRO 107 2HG PRO 107 8.021 -4.087 -27.019 816 1HD PRO 107 1HD PRO 107 7.728 -1.865 -25.499 817 2HD PRO 107 2HD PRO 107 6.385 -2.976 -25.833 818 H GLY 108 H GLY 108 9.021 -2.437 -22.799 819 1HA GLY 108 1HA GLY 108 11.658 -2.758 -22.565 820 2HA GLY 108 2HA GLY 108 10.727 -2.024 -21.267 821 H THR 109 H THR 109 13.013 -4.241 -21.833 822 HA THR 109 HA THR 109 12.094 -6.396 -20.168 823 HB THR 109 HB THR 109 13.775 -6.671 -22.022 824 HG1 THR 109 1HG THR 109 13.499 -8.182 -20.226 825 1HG2 THR 109 1HG2 THR 109 15.078 -4.596 -21.274 826 2HG2 THR 109 2HG2 THR 109 16.015 -6.010 -21.758 827 3HG2 THR 109 3HG2 THR 109 15.795 -5.641 -20.048 828 H ASP 110 H ASP 110 13.136 -7.043 -18.170 829 HA ASP 110 HA ASP 110 14.641 -5.053 -16.706 830 1HB ASP 110 1HB ASP 110 13.012 -5.028 -14.806 831 2HB ASP 110 2HB ASP 110 12.420 -4.235 -16.264 832 H SER 111 H SER 111 15.872 -5.930 -15.103 833 HA SER 111 HA SER 111 15.635 -8.842 -14.740 834 1HB SER 111 1HB SER 111 17.761 -7.707 -15.768 835 2HB SER 111 2HB SER 111 18.133 -7.312 -14.090 836 HG SER 111 HG SER 111 18.388 -9.401 -13.632 837 H GLY 112 H GLY 112 16.483 -9.641 -12.599 838 1HA GLY 112 1HA GLY 112 15.444 -7.885 -10.471 839 2HA GLY 112 2HA GLY 112 15.454 -9.641 -10.411 840 HA PRO 113 HA PRO 113 19.548 -7.541 -8.860 841 1HB PRO 113 1HB PRO 113 18.877 -6.471 -6.457 842 2HB PRO 113 2HB PRO 113 18.855 -5.543 -7.962 843 1HG PRO 113 1HG PRO 113 16.585 -6.837 -6.501 844 2HG PRO 113 2HG PRO 113 16.657 -5.239 -7.266 845 1HD PRO 113 1HD PRO 113 15.474 -7.368 -8.449 846 2HD PRO 113 2HD PRO 113 16.291 -6.093 -9.375 847 H SER 114 H SER 114 20.866 -8.822 -7.682 848 HA SER 114 HA SER 114 19.595 -10.882 -6.013 849 1HB SER 114 1HB SER 114 21.130 -11.389 -8.092 850 2HB SER 114 2HB SER 114 22.434 -11.081 -6.945 851 HG SER 114 HG SER 114 20.321 -12.871 -6.376 852 H SER 115 H SER 115 22.602 -8.968 -6.151 853 HA SER 115 HA SER 115 22.729 -9.108 -3.215 854 1HB SER 115 1HB SER 115 25.130 -8.510 -3.491 855 2HB SER 115 2HB SER 115 24.706 -10.021 -4.295 856 HG SER 115 HG SER 115 25.272 -9.158 -6.116 857 H GLY 116 H GLY 116 21.831 -7.376 -2.303 858 1HA GLY 116 1HA GLY 116 22.129 -5.072 -1.673 859 2HA GLY 116 2HA GLY 116 22.616 -4.727 -3.326 Start of MODEL 18 1 1H GLY 1 H GLY 1 -24.450 0.448 -38.281 2 1HA GLY 1 1HA GLY 1 -26.980 1.753 -37.893 3 2HA GLY 1 2HA GLY 1 -26.628 0.575 -36.637 4 H SER 2 H SER 2 -25.367 1.163 -34.976 5 HA SER 2 HA SER 2 -23.337 3.144 -35.148 6 1HB SER 2 1HB SER 2 -24.332 4.904 -33.828 7 2HB SER 2 2HB SER 2 -25.389 4.584 -35.203 8 HG SER 2 HG SER 2 -26.843 4.430 -33.678 9 H SER 3 H SER 3 -21.877 2.282 -33.841 10 HA SER 3 HA SER 3 -22.738 1.356 -31.185 11 1HB SER 3 1HB SER 3 -20.685 -0.023 -32.931 12 2HB SER 3 2HB SER 3 -21.188 -0.526 -31.318 13 HG SER 3 HG SER 3 -22.704 -0.525 -33.707 14 H GLY 4 H GLY 4 -21.331 1.751 -29.494 15 1HA GLY 4 1HA GLY 4 -18.701 2.855 -30.007 16 2HA GLY 4 2HA GLY 4 -19.864 4.003 -29.361 17 H SER 5 H SER 5 -18.544 0.760 -28.724 18 HA SER 5 HA SER 5 -18.350 1.475 -25.892 19 1HB SER 5 1HB SER 5 -19.281 -0.703 -25.211 20 2HB SER 5 2HB SER 5 -20.463 0.245 -26.114 21 HG SER 5 HG SER 5 -20.601 -1.548 -27.227 22 H SER 6 H SER 6 -16.248 1.323 -25.487 23 HA SER 6 HA SER 6 -14.875 -1.175 -25.870 24 1HB SER 6 1HB SER 6 -14.459 -0.332 -28.068 25 2HB SER 6 2HB SER 6 -14.062 1.271 -27.448 26 HG SER 6 HG SER 6 -12.574 -1.123 -27.137 27 H GLY 7 H GLY 7 -12.790 -1.225 -24.811 28 1HA GLY 7 1HA GLY 7 -11.103 -0.060 -23.499 29 2HA GLY 7 2HA GLY 7 -12.371 1.022 -22.944 30 H MET 8 H MET 8 -11.414 -2.402 -22.888 31 HA MET 8 HA MET 8 -12.707 -2.627 -20.253 32 1HB MET 8 1HB MET 8 -12.277 -4.573 -22.480 33 2HB MET 8 2HB MET 8 -12.360 -5.177 -20.831 34 1HG MET 8 1HG MET 8 -14.481 -3.486 -22.130 35 2HG MET 8 2HG MET 8 -14.515 -5.245 -22.046 36 1HE MET 8 1HE MET 8 -16.526 -5.798 -19.056 37 2HE MET 8 2HE MET 8 -16.962 -5.253 -20.675 38 3HE MET 8 3HE MET 8 -15.682 -6.448 -20.462 39 H ASN 9 H ASN 9 -11.605 -4.391 -18.863 40 HA ASN 9 HA ASN 9 -8.689 -3.979 -18.988 41 1HB ASN 9 1HB ASN 9 -10.586 -3.944 -16.662 42 2HB ASN 9 2HB ASN 9 -8.897 -4.376 -16.416 43 1HD2 ASN 9 1HD2 ASN 9 -8.852 -2.480 -15.059 44 2HD2 ASN 9 2HD2 ASN 9 -8.614 -0.926 -15.777 45 H ARG 10 H ARG 10 -7.536 -5.764 -19.259 46 HA ARG 10 HA ARG 10 -8.814 -8.358 -18.805 47 1HB ARG 10 1HB ARG 10 -6.692 -9.163 -20.046 48 2HB ARG 10 2HB ARG 10 -7.935 -8.321 -20.962 49 1HG ARG 10 1HG ARG 10 -6.658 -6.284 -20.920 50 2HG ARG 10 2HG ARG 10 -5.454 -7.020 -19.860 51 1HD ARG 10 1HD ARG 10 -6.109 -8.052 -22.613 52 2HD ARG 10 2HD ARG 10 -4.819 -6.895 -22.288 53 HE ARG 10 HE ARG 10 -4.560 -9.191 -20.643 54 1HH1 ARG 10 2HH1 ARG 10 -4.082 -8.060 -23.901 55 2HH1 ARG 10 1HH1 ARG 10 -2.819 -9.195 -24.248 56 1HH2 ARG 10 2HH2 ARG 10 -2.899 -10.689 -21.088 57 2HH2 ARG 10 1HH2 ARG 10 -2.148 -10.690 -22.648 58 H THR 11 H THR 11 -7.835 -6.737 -16.595 59 HA THR 11 HA THR 11 -5.492 -8.235 -15.675 60 HB THR 11 HB THR 11 -5.590 -6.604 -13.726 61 HG1 THR 11 1HG THR 11 -7.156 -4.958 -15.385 62 1HG2 THR 11 1HG2 THR 11 -5.293 -5.221 -16.382 63 2HG2 THR 11 2HG2 THR 11 -4.134 -6.425 -15.819 64 3HG2 THR 11 3HG2 THR 11 -4.390 -4.946 -14.893 65 H ALA 12 H ALA 12 -5.772 -9.972 -14.454 66 HA ALA 12 HA ALA 12 -8.331 -10.621 -13.324 67 1HB ALA 12 1HB ALA 12 -7.295 -12.693 -12.629 68 2HB ALA 12 2HB ALA 12 -6.849 -12.332 -14.297 69 3HB ALA 12 3HB ALA 12 -5.695 -12.047 -12.994 70 H MET 13 H MET 13 -8.525 -8.770 -11.888 71 HA MET 13 HA MET 13 -8.122 -7.570 -9.952 72 1HB MET 13 1HB MET 13 -8.500 -9.023 -7.955 73 2HB MET 13 2HB MET 13 -9.691 -9.237 -9.231 74 1HG MET 13 1HG MET 13 -8.313 -11.214 -9.998 75 2HG MET 13 2HG MET 13 -7.431 -11.061 -8.481 76 1HE MET 13 1HE MET 13 -8.372 -13.706 -8.861 77 2HE MET 13 2HE MET 13 -9.985 -14.185 -8.334 78 3HE MET 13 3HE MET 13 -9.763 -13.421 -9.908 79 H ARG 14 H ARG 14 -5.732 -7.605 -11.053 80 HA ARG 14 HA ARG 14 -3.944 -8.096 -8.786 81 1HB ARG 14 1HB ARG 14 -3.678 -9.218 -11.543 82 2HB ARG 14 2HB ARG 14 -2.220 -8.759 -10.673 83 1HG ARG 14 1HG ARG 14 -4.294 -10.627 -9.557 84 2HG ARG 14 2HG ARG 14 -2.881 -11.163 -10.468 85 1HD ARG 14 1HD ARG 14 -2.038 -11.321 -8.358 86 2HD ARG 14 2HD ARG 14 -1.626 -9.641 -8.703 87 HE ARG 14 HE ARG 14 -3.094 -8.992 -7.077 88 1HH1 ARG 14 2HH1 ARG 14 -3.781 -12.286 -7.968 89 2HH1 ARG 14 1HH1 ARG 14 -4.946 -12.522 -6.707 90 1HH2 ARG 14 2HH2 ARG 14 -4.626 -9.289 -5.413 91 2HH2 ARG 14 1HH2 ARG 14 -5.426 -10.816 -5.255 92 H ALA 15 H ALA 15 -2.450 -6.528 -8.469 93 HA ALA 15 HA ALA 15 -2.434 -4.311 -10.406 94 1HB ALA 15 1HB ALA 15 -2.773 -4.374 -7.577 95 2HB ALA 15 2HB ALA 15 -1.299 -3.481 -7.955 96 3HB ALA 15 3HB ALA 15 -2.835 -2.990 -8.670 97 H SER 16 H SER 16 -0.269 -2.931 -9.891 98 HA SER 16 HA SER 16 2.049 -4.675 -9.678 99 1HB SER 16 1HB SER 16 1.371 -3.128 -12.185 100 2HB SER 16 2HB SER 16 2.986 -3.744 -11.837 101 HG SER 16 HG SER 16 2.226 -5.461 -12.803 102 H GLN 17 H GLN 17 4.101 -3.206 -10.161 103 HA GLN 17 HA GLN 17 4.290 -1.351 -8.119 104 1HB GLN 17 1HB GLN 17 6.269 -2.321 -9.089 105 2HB GLN 17 2HB GLN 17 5.915 -1.597 -10.653 106 1HG GLN 17 1HG GLN 17 7.688 -0.391 -9.545 107 2HG GLN 17 2HG GLN 17 6.257 0.627 -9.699 108 1HE2 GLN 17 1HE2 GLN 17 4.840 0.726 -7.783 109 2HE2 GLN 17 2HE2 GLN 17 5.579 0.708 -6.222 110 H LYS 18 H LYS 18 3.964 -0.677 -11.605 111 HA LYS 18 HA LYS 18 3.876 2.066 -11.548 112 1HB LYS 18 1HB LYS 18 3.838 0.670 -13.601 113 2HB LYS 18 2HB LYS 18 2.151 0.287 -13.282 114 1HG LYS 18 1HG LYS 18 1.506 2.569 -13.596 115 2HG LYS 18 2HG LYS 18 3.192 3.078 -13.708 116 1HD LYS 18 1HD LYS 18 2.339 2.983 -15.928 117 2HD LYS 18 2HD LYS 18 3.402 1.589 -15.722 118 1HE LYS 18 1HE LYS 18 1.453 0.824 -16.847 119 2HE LYS 18 2HE LYS 18 1.360 0.234 -15.189 120 1HZ LYS 18 1HZ LYS 18 0.082 2.791 -15.833 121 2HZ LYS 18 2HZ LYS 18 -0.358 1.625 -14.690 122 3HZ LYS 18 3HZ LYS 18 -0.684 1.366 -16.329 123 H ASP 19 H ASP 19 1.079 -0.126 -11.265 124 HA ASP 19 HA ASP 19 -0.904 1.772 -10.918 125 1HB ASP 19 1HB ASP 19 -0.596 -1.049 -9.930 126 2HB ASP 19 2HB ASP 19 -2.008 -0.094 -9.484 127 H PHE 20 H PHE 20 1.292 0.381 -8.529 128 HA PHE 20 HA PHE 20 0.100 1.530 -6.248 129 1HB PHE 20 1HB PHE 20 1.746 -0.339 -6.198 130 2HB PHE 20 2HB PHE 20 3.010 0.804 -6.644 131 HD1 PHE 20 1HD PHE 20 3.575 2.668 -5.073 132 HD2 PHE 20 2HD PHE 20 1.039 -0.568 -3.971 133 HE1 PHE 20 1HE PHE 20 3.934 3.200 -2.698 134 HE2 PHE 20 2HE PHE 20 1.393 -0.040 -1.594 135 HZ PHE 20 HZ PHE 20 2.841 1.847 -0.954 136 H GLU 21 H GLU 21 3.075 2.522 -7.954 137 HA GLU 21 HA GLU 21 3.583 4.866 -6.625 138 1HB GLU 21 1HB GLU 21 4.120 3.913 -9.394 139 2HB GLU 21 2HB GLU 21 4.389 5.616 -9.051 140 1HG GLU 21 1HG GLU 21 5.551 3.585 -7.216 141 2HG GLU 21 2HG GLU 21 6.308 3.854 -8.785 142 H ASN 22 H ASN 22 1.013 4.184 -8.818 143 HA ASN 22 HA ASN 22 0.395 6.975 -9.305 144 1HB ASN 22 1HB ASN 22 -0.850 4.372 -10.164 145 2HB ASN 22 2HB ASN 22 -1.667 5.909 -10.433 146 1HD2 ASN 22 1HD2 ASN 22 0.119 3.690 -11.916 147 2HD2 ASN 22 2HD2 ASN 22 0.956 4.667 -13.070 148 H SER 23 H SER 23 -0.974 4.241 -7.517 149 HA SER 23 HA SER 23 -3.282 5.526 -6.577 150 1HB SER 23 1HB SER 23 -1.665 3.280 -5.353 151 2HB SER 23 2HB SER 23 -3.260 3.776 -4.789 152 HG SER 23 HG SER 23 -2.641 2.856 -7.404 153 H MET 24 H MET 24 -0.111 5.099 -5.014 154 HA MET 24 HA MET 24 -0.657 6.460 -2.651 155 1HB MET 24 1HB MET 24 1.810 6.833 -2.529 156 2HB MET 24 2HB MET 24 1.354 5.166 -2.855 157 1HG MET 24 1HG MET 24 2.197 5.196 -4.965 158 2HG MET 24 2HG MET 24 1.902 6.921 -5.178 159 1HE MET 24 1HE MET 24 3.572 8.501 -5.338 160 2HE MET 24 2HE MET 24 5.296 8.248 -5.067 161 3HE MET 24 3HE MET 24 4.450 7.311 -6.300 162 H ASN 25 H ASN 25 0.277 7.680 -5.813 163 HA ASN 25 HA ASN 25 0.868 10.324 -5.065 164 1HB ASN 25 1HB ASN 25 1.397 9.258 -7.280 165 2HB ASN 25 2HB ASN 25 -0.303 9.427 -7.704 166 1HD2 ASN 25 1HD2 ASN 25 0.629 10.673 -9.489 167 2HD2 ASN 25 2HD2 ASN 25 0.950 12.352 -9.243 168 H GLN 26 H GLN 26 -2.149 8.888 -6.292 169 HA GLN 26 HA GLN 26 -3.740 11.137 -6.346 170 1HB GLN 26 1HB GLN 26 -4.576 8.355 -5.510 171 2HB GLN 26 2HB GLN 26 -5.654 9.629 -6.063 172 1HG GLN 26 1HG GLN 26 -4.466 9.620 -8.238 173 2HG GLN 26 2HG GLN 26 -3.524 8.242 -7.671 174 1HE2 GLN 26 1HE2 GLN 26 -6.765 9.358 -8.430 175 2HE2 GLN 26 2HE2 GLN 26 -7.428 7.797 -8.757 176 H VAL 27 H VAL 27 -3.112 8.977 -3.599 177 HA VAL 27 HA VAL 27 -4.803 10.217 -1.747 178 HB VAL 27 HB VAL 27 -2.213 8.738 -1.274 179 1HG1 VAL 27 1HG1 VAL 27 -2.538 9.944 0.699 180 2HG1 VAL 27 2HG1 VAL 27 -4.293 9.772 0.624 181 3HG1 VAL 27 3HG1 VAL 27 -3.286 8.382 1.029 182 1HG2 VAL 27 1HG2 VAL 27 -3.359 6.853 -1.561 183 2HG2 VAL 27 2HG2 VAL 27 -4.648 7.400 -0.489 184 3HG2 VAL 27 3HG2 VAL 27 -4.680 7.832 -2.199 185 H LYS 28 H LYS 28 -1.555 11.005 -2.800 186 HA LYS 28 HA LYS 28 -1.189 13.013 -0.750 187 1HB LYS 28 1HB LYS 28 0.490 12.455 -3.201 188 2HB LYS 28 2HB LYS 28 0.956 13.435 -1.817 189 1HG LYS 28 1HG LYS 28 1.397 11.634 -0.511 190 2HG LYS 28 2HG LYS 28 0.170 10.630 -1.287 191 1HD LYS 28 1HD LYS 28 2.109 9.646 -2.050 192 2HD LYS 28 2HD LYS 28 1.767 10.788 -3.352 193 1HE LYS 28 1HE LYS 28 3.506 11.571 -1.043 194 2HE LYS 28 2HE LYS 28 4.166 10.651 -2.394 195 1HZ LYS 28 1HZ LYS 28 4.498 12.665 -3.277 196 2HZ LYS 28 2HZ LYS 28 3.376 13.426 -2.265 197 3HZ LYS 28 3HZ LYS 28 2.850 12.618 -3.655 198 H LEU 29 H LEU 29 -2.679 12.839 -3.781 199 HA LEU 29 HA LEU 29 -2.205 15.533 -4.631 200 1HB LEU 29 1HB LEU 29 -3.864 13.251 -5.526 201 2HB LEU 29 2HB LEU 29 -4.403 14.860 -6.000 202 HG LEU 29 HG LEU 29 -2.375 15.257 -7.208 203 1HD1 LEU 29 1HD1 LEU 29 -0.443 14.132 -6.963 204 2HD1 LEU 29 2HD1 LEU 29 -1.245 12.571 -6.799 205 3HD1 LEU 29 3HD1 LEU 29 -1.146 13.660 -5.416 206 1HD2 LEU 29 1HD2 LEU 29 -4.254 13.678 -8.099 207 2HD2 LEU 29 2HD2 LEU 29 -3.006 12.439 -7.965 208 3HD2 LEU 29 3HD2 LEU 29 -2.743 13.849 -8.992 209 H LEU 30 H LEU 30 -4.880 13.840 -3.034 210 HA LEU 30 HA LEU 30 -6.648 16.023 -2.917 211 1HB LEU 30 1HB LEU 30 -7.871 14.762 -1.295 212 2HB LEU 30 2HB LEU 30 -7.275 13.662 -2.537 213 HG LEU 30 HG LEU 30 -5.321 13.325 -0.775 214 1HD1 LEU 30 1HD1 LEU 30 -6.050 13.448 1.488 215 2HD1 LEU 30 2HD1 LEU 30 -7.676 13.924 1.002 216 3HD1 LEU 30 3HD1 LEU 30 -6.324 15.030 0.757 217 1HD2 LEU 30 1HD2 LEU 30 -8.043 12.055 -0.831 218 2HD2 LEU 30 2HD2 LEU 30 -6.746 11.455 0.203 219 3HD2 LEU 30 3HD2 LEU 30 -6.540 11.474 -1.549 220 H LYS 31 H LYS 31 -7.271 17.282 -1.049 221 HA LYS 31 HA LYS 31 -5.037 17.760 0.815 222 1HB LYS 31 1HB LYS 31 -5.531 20.127 0.770 223 2HB LYS 31 2HB LYS 31 -5.270 19.562 -0.875 224 1HG LYS 31 1HG LYS 31 -8.056 19.609 0.137 225 2HG LYS 31 2HG LYS 31 -7.282 21.152 -0.229 226 1HD LYS 31 1HD LYS 31 -6.824 20.430 -2.490 227 2HD LYS 31 2HD LYS 31 -7.455 18.820 -2.137 228 1HE LYS 31 1HE LYS 31 -9.645 19.546 -2.088 229 2HE LYS 31 2HE LYS 31 -9.195 21.208 -1.710 230 1HZ LYS 31 1HZ LYS 31 -9.884 21.261 -3.921 231 2HZ LYS 31 2HZ LYS 31 -9.083 19.826 -4.320 232 3HZ LYS 31 3HZ LYS 31 -8.196 21.237 -4.030 233 H LYS 32 H LYS 32 -7.979 16.485 0.668 234 HA LYS 32 HA LYS 32 -8.949 17.680 3.170 235 1HB LYS 32 1HB LYS 32 -10.335 15.974 1.097 236 2HB LYS 32 2HB LYS 32 -11.069 16.430 2.629 237 1HG LYS 32 1HG LYS 32 -10.014 18.507 0.751 238 2HG LYS 32 2HG LYS 32 -11.621 17.810 0.537 239 1HD LYS 32 1HD LYS 32 -10.875 18.803 3.239 240 2HD LYS 32 2HD LYS 32 -11.225 19.995 1.984 241 1HE LYS 32 1HE LYS 32 -13.278 19.610 3.064 242 2HE LYS 32 2HE LYS 32 -13.366 18.693 1.561 243 1HZ LYS 32 1HZ LYS 32 -14.067 17.608 3.797 244 2HZ LYS 32 2HZ LYS 32 -12.405 17.363 3.997 245 3HZ LYS 32 3HZ LYS 32 -13.201 16.704 2.658 246 H ASP 33 H ASP 33 -7.771 16.649 4.729 247 HA ASP 33 HA ASP 33 -6.930 14.033 4.824 248 1HB ASP 33 1HB ASP 33 -6.872 14.275 7.274 249 2HB ASP 33 2HB ASP 33 -6.242 15.708 6.467 250 HA PRO 34 HA PRO 34 -10.851 11.894 4.893 251 1HB PRO 34 1HB PRO 34 -9.782 9.399 4.872 252 2HB PRO 34 2HB PRO 34 -9.898 10.407 3.424 253 1HG PRO 34 1HG PRO 34 -7.550 9.935 5.221 254 2HG PRO 34 2HG PRO 34 -7.609 9.995 3.450 255 1HD PRO 34 1HD PRO 34 -6.757 12.082 4.951 256 2HD PRO 34 2HD PRO 34 -7.598 12.300 3.402 257 H GLY 35 H GLY 35 -8.129 10.760 6.909 258 1HA GLY 35 1HA GLY 35 -9.071 11.167 9.393 259 2HA GLY 35 2HA GLY 35 -9.960 9.730 8.909 260 H ASN 36 H ASN 36 -7.706 10.379 10.900 261 HA ASN 36 HA ASN 36 -5.319 9.209 10.255 262 1HB ASN 36 1HB ASN 36 -6.885 9.296 12.814 263 2HB ASN 36 2HB ASN 36 -5.365 8.410 12.742 264 1HD2 ASN 36 1HD2 ASN 36 -3.521 9.495 12.953 265 2HD2 ASN 36 2HD2 ASN 36 -3.378 11.217 12.988 266 H GLU 37 H GLU 37 -8.384 7.691 10.515 267 HA GLU 37 HA GLU 37 -7.619 5.061 11.138 268 1HB GLU 37 1HB GLU 37 -9.940 5.730 11.228 269 2HB GLU 37 2HB GLU 37 -9.943 6.095 9.509 270 1HG GLU 37 1HG GLU 37 -10.950 4.055 9.492 271 2HG GLU 37 2HG GLU 37 -9.267 3.571 9.293 272 H VAL 38 H VAL 38 -8.093 6.645 7.989 273 HA VAL 38 HA VAL 38 -7.154 4.331 6.547 274 HB VAL 38 HB VAL 38 -8.815 5.615 5.434 275 1HG1 VAL 38 1HG1 VAL 38 -8.692 7.718 6.499 276 2HG1 VAL 38 2HG1 VAL 38 -7.026 7.971 5.976 277 3HG1 VAL 38 3HG1 VAL 38 -8.338 8.020 4.798 278 1HG2 VAL 38 1HG2 VAL 38 -6.909 4.728 4.068 279 2HG2 VAL 38 2HG2 VAL 38 -7.788 6.068 3.331 280 3HG2 VAL 38 3HG2 VAL 38 -6.221 6.352 4.091 281 H LYS 39 H LYS 39 -5.898 7.505 7.442 282 HA LYS 39 HA LYS 39 -3.592 7.606 5.935 283 1HB LYS 39 1HB LYS 39 -4.103 8.550 8.756 284 2HB LYS 39 2HB LYS 39 -2.634 8.931 7.867 285 1HG LYS 39 1HG LYS 39 -3.685 10.395 6.478 286 2HG LYS 39 2HG LYS 39 -5.231 9.549 6.573 287 1HD LYS 39 1HD LYS 39 -5.834 10.591 8.533 288 2HD LYS 39 2HD LYS 39 -4.162 10.876 9.020 289 1HE LYS 39 1HE LYS 39 -3.970 12.567 7.226 290 2HE LYS 39 2HE LYS 39 -5.672 12.317 6.841 291 1HZ LYS 39 1HZ LYS 39 -5.184 14.255 8.314 292 2HZ LYS 39 2HZ LYS 39 -4.723 13.162 9.519 293 3HZ LYS 39 3HZ LYS 39 -6.313 13.161 8.940 294 H LEU 40 H LEU 40 -4.392 5.407 8.417 295 HA LEU 40 HA LEU 40 -1.610 4.676 8.916 296 1HB LEU 40 1HB LEU 40 -4.212 3.763 10.120 297 2HB LEU 40 2HB LEU 40 -2.658 3.031 10.513 298 HG LEU 40 HG LEU 40 -3.226 5.956 10.935 299 1HD1 LEU 40 1HD1 LEU 40 -4.787 5.125 12.381 300 2HD1 LEU 40 2HD1 LEU 40 -3.354 5.059 13.406 301 3HD1 LEU 40 3HD1 LEU 40 -3.932 3.598 12.606 302 1HD2 LEU 40 1HD2 LEU 40 -1.398 5.407 12.728 303 2HD2 LEU 40 2HD2 LEU 40 -0.946 5.707 11.049 304 3HD2 LEU 40 3HD2 LEU 40 -1.046 4.053 11.654 305 H LYS 41 H LYS 41 -4.581 3.328 7.555 306 HA LYS 41 HA LYS 41 -3.590 0.753 7.002 307 1HB LYS 41 1HB LYS 41 -5.582 0.379 5.925 308 2HB LYS 41 2HB LYS 41 -6.025 1.774 6.900 309 1HG LYS 41 1HG LYS 41 -5.453 3.200 4.899 310 2HG LYS 41 2HG LYS 41 -5.355 1.701 3.972 311 1HD LYS 41 1HD LYS 41 -7.774 2.561 5.556 312 2HD LYS 41 2HD LYS 41 -7.564 2.856 3.828 313 1HE LYS 41 1HE LYS 41 -7.779 0.206 5.241 314 2HE LYS 41 2HE LYS 41 -8.891 0.893 4.059 315 1HZ LYS 41 1HZ LYS 41 -6.468 -0.586 3.642 316 2HZ LYS 41 2HZ LYS 41 -6.523 0.843 2.739 317 3HZ LYS 41 3HZ LYS 41 -7.756 -0.304 2.583 318 H LEU 42 H LEU 42 -3.337 3.789 5.292 319 HA LEU 42 HA LEU 42 -2.411 2.664 2.832 320 1HB LEU 42 1HB LEU 42 -2.690 5.377 3.989 321 2HB LEU 42 2HB LEU 42 -1.524 5.178 2.682 322 HG LEU 42 HG LEU 42 -3.598 5.951 1.763 323 1HD1 LEU 42 1HD1 LEU 42 -3.587 3.030 1.110 324 2HD1 LEU 42 2HD1 LEU 42 -2.234 4.065 0.655 325 3HD1 LEU 42 3HD1 LEU 42 -3.852 4.412 0.047 326 1HD2 LEU 42 1HD2 LEU 42 -5.684 5.088 2.200 327 2HD2 LEU 42 2HD2 LEU 42 -4.897 4.889 3.766 328 3HD2 LEU 42 3HD2 LEU 42 -5.053 3.511 2.676 329 H TYR 43 H TYR 43 -0.908 3.798 5.781 330 HA TYR 43 HA TYR 43 1.761 3.755 4.702 331 1HB TYR 43 1HB TYR 43 1.763 5.241 6.429 332 2HB TYR 43 2HB TYR 43 0.504 4.382 7.310 333 HD1 TYR 43 1HD TYR 43 4.111 4.635 6.697 334 HD2 TYR 43 2HD TYR 43 1.062 2.626 8.882 335 HE1 TYR 43 1HE TYR 43 5.814 3.706 8.210 336 HE2 TYR 43 2HE TYR 43 2.756 1.693 10.401 337 HH TYR 43 HH TYR 43 6.069 2.740 10.325 338 H ALA 44 H ALA 44 -0.283 1.610 6.591 339 HA ALA 44 HA ALA 44 1.582 -0.234 7.486 340 1HB ALA 44 1HB ALA 44 -0.629 -0.420 8.285 341 2HB ALA 44 2HB ALA 44 -1.288 -0.575 6.656 342 3HB ALA 44 3HB ALA 44 -0.333 -1.886 7.350 343 H LEU 45 H LEU 45 -0.149 -0.161 4.383 344 HA LEU 45 HA LEU 45 1.094 -2.520 3.377 345 1HB LEU 45 1HB LEU 45 -0.521 -0.313 2.154 346 2HB LEU 45 2HB LEU 45 0.241 -1.541 1.145 347 HG LEU 45 HG LEU 45 -1.924 -2.329 1.395 348 1HD1 LEU 45 1HD1 LEU 45 -0.118 -3.959 2.091 349 2HD1 LEU 45 2HD1 LEU 45 -1.756 -4.332 2.625 350 3HD1 LEU 45 3HD1 LEU 45 -0.598 -3.634 3.756 351 1HD2 LEU 45 1HD2 LEU 45 -3.088 -2.388 3.606 352 2HD2 LEU 45 2HD2 LEU 45 -2.774 -0.766 2.987 353 3HD2 LEU 45 3HD2 LEU 45 -1.760 -1.434 4.268 354 H TYR 46 H TYR 46 1.633 0.951 2.863 355 HA TYR 46 HA TYR 46 3.542 0.947 0.920 356 1HB TYR 46 1HB TYR 46 2.804 3.039 1.766 357 2HB TYR 46 2HB TYR 46 3.324 2.647 3.401 358 HD1 TYR 46 1HD TYR 46 4.655 3.244 -0.027 359 HD2 TYR 46 2HD TYR 46 5.408 3.360 4.159 360 HE1 TYR 46 1HE TYR 46 6.805 4.362 -0.451 361 HE2 TYR 46 2HE TYR 46 7.559 4.479 3.747 362 HH TYR 46 HH TYR 46 9.205 4.677 1.895 363 H LYS 47 H LYS 47 4.264 0.773 4.410 364 HA LYS 47 HA LYS 47 7.011 0.201 4.051 365 1HB LYS 47 1HB LYS 47 5.209 -0.312 6.425 366 2HB LYS 47 2HB LYS 47 6.964 -0.422 6.453 367 1HG LYS 47 1HG LYS 47 5.493 2.090 5.707 368 2HG LYS 47 2HG LYS 47 5.979 1.704 7.359 369 1HD LYS 47 1HD LYS 47 7.998 1.617 5.157 370 2HD LYS 47 2HD LYS 47 7.524 3.169 5.851 371 1HE LYS 47 1HE LYS 47 8.252 0.953 7.698 372 2HE LYS 47 2HE LYS 47 9.546 1.770 6.823 373 1HZ LYS 47 1HZ LYS 47 9.461 3.331 8.373 374 2HZ LYS 47 2HZ LYS 47 8.078 2.661 9.078 375 3HZ LYS 47 3HZ LYS 47 7.928 3.770 7.810 376 H GLN 48 H GLN 48 4.239 -1.715 3.687 377 HA GLN 48 HA GLN 48 5.594 -4.225 4.254 378 1HB GLN 48 1HB GLN 48 3.143 -3.749 4.786 379 2HB GLN 48 2HB GLN 48 2.848 -3.894 3.059 380 1HG GLN 48 1HG GLN 48 2.393 -6.021 3.697 381 2HG GLN 48 2HG GLN 48 4.120 -6.178 3.384 382 1HE2 GLN 48 1HE2 GLN 48 4.053 -8.005 4.801 383 2HE2 GLN 48 2HE2 GLN 48 4.095 -7.777 6.513 384 H ALA 49 H ALA 49 4.769 -2.215 1.555 385 HA ALA 49 HA ALA 49 5.513 -4.327 -0.341 386 1HB ALA 49 1HB ALA 49 4.778 -2.407 -1.988 387 2HB ALA 49 2HB ALA 49 3.586 -3.422 -1.175 388 3HB ALA 49 3HB ALA 49 3.941 -1.810 -0.555 389 H THR 50 H THR 50 7.190 -2.352 1.455 390 HA THR 50 HA THR 50 9.142 -1.762 -0.664 391 HB THR 50 HB THR 50 9.781 0.312 0.590 392 HG1 THR 50 1HG THR 50 7.448 -0.405 2.036 393 1HG2 THR 50 1HG2 THR 50 6.979 0.152 -0.525 394 2HG2 THR 50 2HG2 THR 50 8.457 0.519 -1.414 395 3HG2 THR 50 3HG2 THR 50 7.845 1.656 -0.213 396 H GLU 51 H GLU 51 8.514 -2.434 2.731 397 HA GLU 51 HA GLU 51 11.348 -3.172 3.056 398 1HB GLU 51 1HB GLU 51 9.454 -2.587 5.322 399 2HB GLU 51 2HB GLU 51 11.211 -2.641 5.357 400 1HG GLU 51 1HG GLU 51 9.768 -0.611 3.700 401 2HG GLU 51 2HG GLU 51 10.038 -0.358 5.424 402 H GLY 52 H GLY 52 8.011 -4.130 3.669 403 1HA GLY 52 1HA GLY 52 7.485 -6.497 3.299 404 2HA GLY 52 2HA GLY 52 8.988 -6.881 4.125 405 HA PRO 53 HA PRO 53 5.874 -7.502 7.361 406 1HB PRO 53 1HB PRO 53 7.419 -9.200 8.811 407 2HB PRO 53 2HB PRO 53 6.475 -9.719 7.409 408 1HG PRO 53 1HG PRO 53 9.390 -9.061 7.591 409 2HG PRO 53 2HG PRO 53 8.597 -10.402 6.745 410 1HD PRO 53 1HD PRO 53 9.446 -8.171 5.466 411 2HD PRO 53 2HD PRO 53 8.019 -9.088 4.941 412 H CYS 54 H CYS 54 5.650 -6.448 9.263 413 HA CYS 54 HA CYS 54 7.257 -4.368 10.024 414 1HB CYS 54 1HB CYS 54 5.052 -4.526 10.925 415 2HB CYS 54 2HB CYS 54 5.403 -6.073 11.686 416 HG CYS 54 HG CYS 54 7.126 -5.010 13.602 417 H ASN 55 H ASN 55 9.387 -4.520 10.365 418 HA ASN 55 HA ASN 55 10.333 -6.561 12.269 419 1HB ASN 55 1HB ASN 55 12.503 -6.486 11.113 420 2HB ASN 55 2HB ASN 55 11.208 -6.954 10.015 421 1HD2 ASN 55 1HD2 ASN 55 10.266 -5.188 8.708 422 2HD2 ASN 55 2HD2 ASN 55 11.333 -3.962 8.121 423 H MET 56 H MET 56 9.420 -3.606 12.442 424 HA MET 56 HA MET 56 11.827 -2.370 13.522 425 1HB MET 56 1HB MET 56 10.183 -0.438 13.939 426 2HB MET 56 2HB MET 56 10.577 -0.833 12.272 427 1HG MET 56 1HG MET 56 8.499 -1.982 11.985 428 2HG MET 56 2HG MET 56 8.123 -1.821 13.699 429 1HE MET 56 1HE MET 56 7.326 1.693 14.340 430 2HE MET 56 2HE MET 56 8.489 0.445 14.786 431 3HE MET 56 3HE MET 56 9.001 1.817 13.802 432 HA PRO 57 HA PRO 57 11.026 -3.230 17.750 433 1HB PRO 57 1HB PRO 57 11.871 -0.944 18.945 434 2HB PRO 57 2HB PRO 57 12.980 -2.121 18.231 435 1HG PRO 57 1HG PRO 57 11.955 0.450 17.091 436 2HG PRO 57 2HG PRO 57 13.599 -0.215 17.052 437 1HD PRO 57 1HD PRO 57 11.911 -0.379 14.941 438 2HD PRO 57 2HD PRO 57 13.121 -1.629 15.296 439 H LYS 58 H LYS 58 9.278 -3.198 19.023 440 HA LYS 58 HA LYS 58 7.007 -1.680 18.446 441 1HB LYS 58 1HB LYS 58 7.139 -3.864 19.736 442 2HB LYS 58 2HB LYS 58 7.613 -2.909 21.134 443 1HG LYS 58 1HG LYS 58 5.533 -1.909 21.320 444 2HG LYS 58 2HG LYS 58 5.101 -2.267 19.647 445 1HD LYS 58 1HD LYS 58 4.998 -4.665 20.216 446 2HD LYS 58 2HD LYS 58 5.363 -4.264 21.896 447 1HE LYS 58 1HE LYS 58 3.305 -2.726 21.750 448 2HE LYS 58 2HE LYS 58 2.900 -3.644 20.301 449 1HZ LYS 58 1HZ LYS 58 1.886 -5.010 21.727 450 2HZ LYS 58 2HZ LYS 58 2.721 -4.413 23.072 451 3HZ LYS 58 3HZ LYS 58 3.436 -5.587 22.086 452 HA PRO 59 HA PRO 59 8.162 2.204 20.278 453 1HB PRO 59 1HB PRO 59 5.778 3.438 19.873 454 2HB PRO 59 2HB PRO 59 6.958 3.180 18.582 455 1HG PRO 59 1HG PRO 59 4.500 1.605 19.244 456 2HG PRO 59 2HG PRO 59 5.108 2.117 17.658 457 1HD PRO 59 1HD PRO 59 5.462 -0.392 18.614 458 2HD PRO 59 2HD PRO 59 6.644 0.402 17.554 459 H GLY 60 H GLY 60 7.394 3.608 22.029 460 1HA GLY 60 1HA GLY 60 6.262 2.012 24.179 461 2HA GLY 60 2HA GLY 60 6.994 3.602 24.333 462 H VAL 61 H VAL 61 4.447 2.531 25.387 463 HA VAL 61 HA VAL 61 2.160 3.301 24.139 464 HB VAL 61 HB VAL 61 1.274 3.946 26.418 465 1HG1 VAL 61 1HG1 VAL 61 2.724 1.307 26.257 466 2HG1 VAL 61 2HG1 VAL 61 1.320 1.679 27.258 467 3HG1 VAL 61 3HG1 VAL 61 1.171 1.657 25.501 468 1HG2 VAL 61 1HG2 VAL 61 3.038 4.780 27.643 469 2HG2 VAL 61 2HG2 VAL 61 2.932 3.134 28.268 470 3HG2 VAL 61 3HG2 VAL 61 4.160 3.546 27.070 471 H PHE 62 H PHE 62 4.269 5.440 26.049 472 HA PHE 62 HA PHE 62 2.891 7.792 25.924 473 1HB PHE 62 1HB PHE 62 5.847 7.791 25.392 474 2HB PHE 62 2HB PHE 62 4.900 8.904 26.375 475 HD1 PHE 62 1HD PHE 62 7.461 6.987 26.853 476 HD2 PHE 62 2HD PHE 62 3.377 7.009 28.051 477 HE1 PHE 62 1HE PHE 62 8.048 5.699 28.866 478 HE2 PHE 62 2HE PHE 62 3.957 5.723 30.066 479 HZ PHE 62 HZ PHE 62 6.295 5.067 30.476 480 H ASP 63 H ASP 63 4.695 6.238 23.356 481 HA ASP 63 HA ASP 63 4.318 8.503 21.566 482 1HB ASP 63 1HB ASP 63 5.893 5.975 21.495 483 2HB ASP 63 2HB ASP 63 5.415 6.685 19.955 484 H LEU 64 H LEU 64 2.007 8.438 21.503 485 HA LEU 64 HA LEU 64 0.534 6.179 20.672 486 1HB LEU 64 1HB LEU 64 -0.216 9.071 20.298 487 2HB LEU 64 2HB LEU 64 -1.307 7.689 20.355 488 HG LEU 64 HG LEU 64 0.341 8.688 22.677 489 1HD1 LEU 64 1HD1 LEU 64 -2.632 8.932 22.313 490 2HD1 LEU 64 2HD1 LEU 64 -1.507 10.211 21.857 491 3HD1 LEU 64 3HD1 LEU 64 -1.611 9.687 23.538 492 1HD2 LEU 64 1HD2 LEU 64 -0.375 6.926 23.859 493 2HD2 LEU 64 2HD2 LEU 64 -0.678 6.185 22.287 494 3HD2 LEU 64 3HD2 LEU 64 -1.990 6.986 23.153 495 H ILE 65 H ILE 65 1.987 8.867 18.906 496 HA ILE 65 HA ILE 65 0.878 8.433 16.395 497 HB ILE 65 HB ILE 65 3.684 9.372 17.004 498 1HG1 ILE 65 1HG1 ILE 65 2.382 10.935 18.101 499 2HG1 ILE 65 2HG1 ILE 65 2.440 11.636 16.487 500 1HG2 ILE 65 1HG2 ILE 65 3.076 8.620 14.624 501 2HG2 ILE 65 2HG2 ILE 65 2.074 10.069 14.574 502 3HG2 ILE 65 3HG2 ILE 65 3.813 10.209 14.831 503 1HD1 ILE 65 1HD1 ILE 65 0.252 10.485 16.035 504 2HD1 ILE 65 2HD1 ILE 65 0.190 10.111 17.757 505 3HD1 ILE 65 3HD1 ILE 65 0.207 11.790 17.220 506 H ASN 66 H ASN 66 3.969 7.179 17.659 507 HA ASN 66 HA ASN 66 4.528 5.556 15.419 508 1HB ASN 66 1HB ASN 66 5.529 5.600 18.255 509 2HB ASN 66 2HB ASN 66 6.046 4.344 17.135 510 1HD2 ASN 66 1HD2 ASN 66 5.980 7.804 17.707 511 2HD2 ASN 66 2HD2 ASN 66 7.342 8.183 16.715 512 H LYS 67 H LYS 67 3.136 4.779 18.599 513 HA LYS 67 HA LYS 67 2.801 2.052 18.284 514 1HB LYS 67 1HB LYS 67 2.293 3.656 20.299 515 2HB LYS 67 2HB LYS 67 0.667 3.666 19.628 516 1HG LYS 67 1HG LYS 67 0.811 2.001 21.351 517 2HG LYS 67 2HG LYS 67 0.619 1.205 19.788 518 1HD LYS 67 1HD LYS 67 2.831 0.476 19.750 519 2HD LYS 67 2HD LYS 67 3.344 1.668 20.946 520 1HE LYS 67 1HE LYS 67 3.267 -0.596 21.885 521 2HE LYS 67 2HE LYS 67 2.125 0.485 22.681 522 1HZ LYS 67 1HZ LYS 67 1.625 -1.925 21.253 523 2HZ LYS 67 2HZ LYS 67 0.718 -0.648 20.616 524 3HZ LYS 67 3HZ LYS 67 0.590 -1.040 22.256 525 H ALA 68 H ALA 68 0.723 4.690 17.190 526 HA ALA 68 HA ALA 68 -1.471 3.193 16.336 527 1HB ALA 68 1HB ALA 68 -0.650 5.558 14.736 528 2HB ALA 68 2HB ALA 68 -2.235 5.113 15.371 529 3HB ALA 68 3HB ALA 68 -1.014 5.794 16.446 530 H LYS 69 H LYS 69 1.444 4.163 14.549 531 HA LYS 69 HA LYS 69 0.683 2.887 12.126 532 1HB LYS 69 1HB LYS 69 3.147 4.159 13.198 533 2HB LYS 69 2HB LYS 69 3.340 3.050 11.847 534 1HG LYS 69 1HG LYS 69 3.068 5.011 10.724 535 2HG LYS 69 2HG LYS 69 1.388 4.479 10.820 536 1HD LYS 69 1HD LYS 69 1.106 5.871 12.848 537 2HD LYS 69 2HD LYS 69 2.758 6.458 12.640 538 1HE LYS 69 1HE LYS 69 2.223 7.724 10.809 539 2HE LYS 69 2HE LYS 69 0.885 6.676 10.340 540 1HZ LYS 69 1HZ LYS 69 0.921 8.928 12.182 541 2HZ LYS 69 2HZ LYS 69 -0.040 7.612 12.635 542 3HZ LYS 69 3HZ LYS 69 -0.311 8.387 11.156 543 H TRP 70 H TRP 70 2.992 1.988 14.684 544 HA TRP 70 HA TRP 70 3.975 -0.362 13.742 545 1HB TRP 70 1HB TRP 70 4.330 0.819 16.032 546 2HB TRP 70 2HB TRP 70 3.026 -0.226 16.589 547 HD1 TRP 70 HD TRP 70 6.610 -0.434 15.191 548 HE1 TRP 70 1HE TRP 70 7.625 -2.688 15.907 549 HE3 TRP 70 3HE TRP 70 2.477 -2.539 17.340 550 HZ2 TRP 70 2HZ TRP 70 6.785 -5.047 17.210 551 HZ3 TRP 70 3HZ TRP 70 2.666 -4.798 18.297 552 HH2 TRP 70 HH TRP 70 4.777 -6.024 18.232 553 H ASP 71 H ASP 71 0.820 0.120 15.268 554 HA ASP 71 HA ASP 71 0.089 -2.638 15.180 555 1HB ASP 71 1HB ASP 71 -1.369 -0.078 15.740 556 2HB ASP 71 2HB ASP 71 -2.277 -1.568 15.499 557 H ALA 72 H ALA 72 -0.101 0.022 12.964 558 HA ALA 72 HA ALA 72 -2.074 -1.164 11.249 559 1HB ALA 72 1HB ALA 72 -0.993 1.368 11.539 560 2HB ALA 72 2HB ALA 72 -0.391 0.821 9.973 561 3HB ALA 72 3HB ALA 72 -2.126 0.846 10.291 562 H TRP 73 H TRP 73 1.454 -0.872 11.235 563 HA TRP 73 HA TRP 73 1.690 -2.324 8.747 564 1HB TRP 73 1HB TRP 73 3.275 -0.521 9.308 565 2HB TRP 73 2HB TRP 73 3.826 -1.446 10.702 566 HD1 TRP 73 HD TRP 73 3.228 -3.547 7.656 567 HE1 TRP 73 1HE TRP 73 5.481 -4.228 6.613 568 HE3 TRP 73 3HE TRP 73 6.320 -0.471 10.323 569 HZ2 TRP 73 2HZ TRP 73 8.208 -3.551 6.886 570 HZ3 TRP 73 3HZ TRP 73 8.738 -0.550 9.872 571 HH2 TRP 73 HH TRP 73 9.660 -2.059 8.189 572 H ASN 74 H ASN 74 2.060 -2.953 12.182 573 HA ASN 74 HA ASN 74 3.351 -5.432 12.042 574 1HB ASN 74 1HB ASN 74 3.171 -4.287 14.152 575 2HB ASN 74 2HB ASN 74 1.412 -4.335 14.085 576 1HD2 ASN 74 1HD2 ASN 74 1.395 -5.359 16.115 577 2HD2 ASN 74 2HD2 ASN 74 1.766 -7.039 16.273 578 H ALA 75 H ALA 75 -0.131 -4.717 12.295 579 HA ALA 75 HA ALA 75 -1.271 -7.148 12.357 580 1HB ALA 75 1HB ALA 75 -2.874 -6.036 10.490 581 2HB ALA 75 2HB ALA 75 -2.918 -5.621 12.204 582 3HB ALA 75 3HB ALA 75 -2.019 -4.608 11.075 583 H LEU 76 H LEU 76 -0.139 -5.603 9.353 584 HA LEU 76 HA LEU 76 -0.788 -7.390 7.451 585 1HB LEU 76 1HB LEU 76 1.766 -5.885 7.880 586 2HB LEU 76 2HB LEU 76 1.562 -6.936 6.480 587 HG LEU 76 HG LEU 76 1.114 -4.416 6.215 588 1HD1 LEU 76 1HD1 LEU 76 -0.342 -6.741 5.177 589 2HD1 LEU 76 2HD1 LEU 76 0.475 -5.434 4.321 590 3HD1 LEU 76 3HD1 LEU 76 -1.156 -5.192 4.948 591 1HD2 LEU 76 1HD2 LEU 76 -0.256 -4.036 8.141 592 2HD2 LEU 76 2HD2 LEU 76 -1.389 -5.294 7.647 593 3HD2 LEU 76 3HD2 LEU 76 -1.253 -3.809 6.704 594 H GLY 77 H GLY 77 2.180 -7.684 9.416 595 1HA GLY 77 1HA GLY 77 3.148 -9.615 10.274 596 2HA GLY 77 2HA GLY 77 1.875 -10.557 9.512 597 H SER 78 H SER 78 2.827 -12.031 8.269 598 HA SER 78 HA SER 78 5.307 -11.450 6.895 599 1HB SER 78 1HB SER 78 4.837 -13.663 7.990 600 2HB SER 78 2HB SER 78 3.628 -13.962 6.740 601 HG SER 78 HG SER 78 5.207 -14.617 5.539 602 H LEU 79 H LEU 79 3.033 -9.909 6.075 603 HA LEU 79 HA LEU 79 1.943 -10.928 3.655 604 1HB LEU 79 1HB LEU 79 1.139 -9.001 5.223 605 2HB LEU 79 2HB LEU 79 2.182 -8.003 4.212 606 HG LEU 79 HG LEU 79 -0.212 -7.956 3.556 607 1HD1 LEU 79 1HD1 LEU 79 1.907 -7.791 1.993 608 2HD1 LEU 79 2HD1 LEU 79 0.271 -7.773 1.335 609 3HD1 LEU 79 3HD1 LEU 79 1.219 -9.260 1.301 610 1HD2 LEU 79 1HD2 LEU 79 -0.214 -10.481 2.166 611 2HD2 LEU 79 2HD2 LEU 79 -1.410 -9.806 3.273 612 3HD2 LEU 79 3HD2 LEU 79 -0.039 -10.718 3.905 613 HA PRO 80 HA PRO 80 5.560 -10.263 1.146 614 1HB PRO 80 1HB PRO 80 4.422 -11.038 -1.194 615 2HB PRO 80 2HB PRO 80 4.955 -12.185 0.041 616 1HG PRO 80 1HG PRO 80 2.203 -11.151 -0.522 617 2HG PRO 80 2HG PRO 80 2.722 -12.805 -0.152 618 1HD PRO 80 1HD PRO 80 1.604 -11.179 1.703 619 2HD PRO 80 2HD PRO 80 2.827 -12.399 2.115 620 H LYS 81 H LYS 81 6.083 -9.040 -0.848 621 HA LYS 81 HA LYS 81 4.960 -6.439 -0.762 622 1HB LYS 81 1HB LYS 81 6.745 -7.639 -2.887 623 2HB LYS 81 2HB LYS 81 6.473 -5.925 -2.601 624 1HG LYS 81 1HG LYS 81 7.511 -7.563 -0.354 625 2HG LYS 81 2HG LYS 81 8.607 -7.172 -1.682 626 1HD LYS 81 1HD LYS 81 7.781 -4.750 -1.353 627 2HD LYS 81 2HD LYS 81 7.196 -5.321 0.211 628 1HE LYS 81 1HE LYS 81 9.376 -4.388 0.526 629 2HE LYS 81 2HE LYS 81 9.499 -6.138 0.696 630 1HZ LYS 81 1HZ LYS 81 9.943 -5.119 -1.979 631 2HZ LYS 81 2HZ LYS 81 10.784 -6.308 -1.119 632 3HZ LYS 81 3HZ LYS 81 11.113 -4.672 -0.841 633 H GLU 82 H GLU 82 4.679 -9.121 -3.059 634 HA GLU 82 HA GLU 82 3.273 -7.926 -5.094 635 1HB GLU 82 1HB GLU 82 2.271 -10.151 -5.522 636 2HB GLU 82 2HB GLU 82 4.006 -10.223 -5.250 637 1HG GLU 82 1HG GLU 82 3.236 -10.678 -2.765 638 2HG GLU 82 2HG GLU 82 1.776 -11.237 -3.579 639 H ALA 83 H ALA 83 1.889 -9.454 -2.189 640 HA ALA 83 HA ALA 83 -0.778 -8.628 -2.808 641 1HB ALA 83 1HB ALA 83 0.420 -10.416 -1.016 642 2HB ALA 83 2HB ALA 83 -0.423 -9.227 -0.022 643 3HB ALA 83 3HB ALA 83 -1.303 -10.127 -1.257 644 H ALA 84 H ALA 84 1.723 -7.493 -0.563 645 HA ALA 84 HA ALA 84 0.357 -5.588 0.855 646 1HB ALA 84 1HB ALA 84 3.174 -5.845 -0.044 647 2HB ALA 84 2HB ALA 84 2.660 -4.300 0.637 648 3HB ALA 84 3HB ALA 84 2.506 -5.778 1.587 649 H ARG 85 H ARG 85 1.968 -5.113 -2.287 650 HA ARG 85 HA ARG 85 1.293 -2.427 -2.634 651 1HB ARG 85 1HB ARG 85 1.950 -4.653 -4.536 652 2HB ARG 85 2HB ARG 85 1.461 -3.080 -5.151 653 1HG ARG 85 1HG ARG 85 3.318 -2.020 -4.033 654 2HG ARG 85 2HG ARG 85 3.776 -3.551 -3.285 655 1HD ARG 85 1HD ARG 85 3.603 -3.249 -6.265 656 2HD ARG 85 2HD ARG 85 5.056 -2.792 -5.377 657 HE ARG 85 HE ARG 85 4.443 -5.352 -4.561 658 1HH1 ARG 85 2HH1 ARG 85 5.216 -3.760 -7.559 659 2HH1 ARG 85 1HH1 ARG 85 5.953 -5.160 -8.264 660 1HH2 ARG 85 2HH2 ARG 85 5.411 -7.202 -5.478 661 2HH2 ARG 85 1HH2 ARG 85 6.063 -7.118 -7.079 662 H GLN 86 H GLN 86 -0.404 -5.349 -3.745 663 HA GLN 86 HA GLN 86 -2.495 -4.134 -5.101 664 1HB GLN 86 1HB GLN 86 -2.160 -6.514 -5.238 665 2HB GLN 86 2HB GLN 86 -2.450 -6.702 -3.514 666 1HG GLN 86 1HG GLN 86 -4.425 -7.415 -4.507 667 2HG GLN 86 2HG GLN 86 -4.777 -5.769 -3.981 668 1HE2 GLN 86 1HE2 GLN 86 -5.422 -4.313 -5.442 669 2HE2 GLN 86 2HE2 GLN 86 -5.509 -4.591 -7.145 670 H ASN 87 H ASN 87 -2.245 -4.953 -1.659 671 HA ASN 87 HA ASN 87 -4.825 -4.183 -0.899 672 1HB ASN 87 1HB ASN 87 -2.215 -4.339 0.595 673 2HB ASN 87 2HB ASN 87 -3.695 -3.804 1.387 674 1HD2 ASN 87 1HD2 ASN 87 -1.832 -6.443 0.448 675 2HD2 ASN 87 2HD2 ASN 87 -2.965 -7.694 0.815 676 H TYR 88 H TYR 88 -1.839 -2.319 -1.181 677 HA TYR 88 HA TYR 88 -2.792 0.071 -0.043 678 1HB TYR 88 1HB TYR 88 -0.392 -0.451 -0.467 679 2HB TYR 88 2HB TYR 88 -0.681 -0.227 -2.188 680 HD1 TYR 88 1HD TYR 88 0.236 1.363 0.851 681 HD2 TYR 88 2HD TYR 88 -1.610 2.079 -2.915 682 HE1 TYR 88 1HE TYR 88 0.682 3.769 1.096 683 HE2 TYR 88 2HE TYR 88 -1.168 4.487 -2.681 684 HH TYR 88 HH TYR 88 -0.800 6.091 -0.554 685 H VAL 89 H VAL 89 -2.431 -0.819 -3.478 686 HA VAL 89 HA VAL 89 -3.695 1.468 -4.512 687 HB VAL 89 HB VAL 89 -4.010 0.114 -6.587 688 1HG1 VAL 89 1HG1 VAL 89 -1.799 0.270 -7.181 689 2HG1 VAL 89 2HG1 VAL 89 -1.815 1.273 -5.729 690 3HG1 VAL 89 3HG1 VAL 89 -1.226 -0.388 -5.649 691 1HG2 VAL 89 1HG2 VAL 89 -2.654 -2.086 -5.035 692 2HG2 VAL 89 2HG2 VAL 89 -4.379 -2.048 -5.396 693 3HG2 VAL 89 3HG2 VAL 89 -3.205 -2.141 -6.709 694 H ASP 90 H ASP 90 -4.958 -1.703 -3.598 695 HA ASP 90 HA ASP 90 -7.513 -1.570 -4.617 696 1HB ASP 90 1HB ASP 90 -6.529 -3.525 -3.424 697 2HB ASP 90 2HB ASP 90 -6.769 -2.673 -1.901 698 H LEU 91 H LEU 91 -6.197 0.017 -1.776 699 HA LEU 91 HA LEU 91 -8.726 0.946 -0.807 700 1HB LEU 91 1HB LEU 91 -6.818 0.622 0.679 701 2HB LEU 91 2HB LEU 91 -5.923 1.870 -0.187 702 HG LEU 91 HG LEU 91 -6.817 2.631 1.987 703 1HD1 LEU 91 1HD1 LEU 91 -6.506 4.082 -0.129 704 2HD1 LEU 91 2HD1 LEU 91 -7.403 4.742 1.238 705 3HD1 LEU 91 3HD1 LEU 91 -8.270 4.117 -0.165 706 1HD2 LEU 91 1HD2 LEU 91 -8.847 1.333 2.094 707 2HD2 LEU 91 2HD2 LEU 91 -9.486 2.150 0.668 708 3HD2 LEU 91 3HD2 LEU 91 -9.246 3.050 2.166 709 H VAL 92 H VAL 92 -5.932 2.695 -2.181 710 HA VAL 92 HA VAL 92 -6.977 5.185 -2.468 711 HB VAL 92 HB VAL 92 -5.266 3.749 -4.503 712 1HG1 VAL 92 1HG1 VAL 92 -4.779 6.553 -4.383 713 2HG1 VAL 92 2HG1 VAL 92 -5.326 5.583 -5.752 714 3HG1 VAL 92 3HG1 VAL 92 -6.503 6.289 -4.645 715 1HG2 VAL 92 1HG2 VAL 92 -3.608 5.420 -3.181 716 2HG2 VAL 92 2HG2 VAL 92 -4.731 4.997 -1.888 717 3HG2 VAL 92 3HG2 VAL 92 -3.854 3.729 -2.743 718 H SER 93 H SER 93 -7.670 2.375 -4.457 719 HA SER 93 HA SER 93 -9.056 3.740 -6.516 720 1HB SER 93 1HB SER 93 -8.146 1.400 -6.671 721 2HB SER 93 2HB SER 93 -9.474 0.875 -5.636 722 HG SER 93 HG SER 93 -10.722 2.144 -7.420 723 H SER 94 H SER 94 -10.034 2.390 -3.425 724 HA SER 94 HA SER 94 -12.800 2.413 -3.742 725 1HB SER 94 1HB SER 94 -12.924 2.066 -1.465 726 2HB SER 94 2HB SER 94 -11.239 1.628 -1.748 727 HG SER 94 HG SER 94 -11.836 3.221 0.016 728 H LEU 95 H LEU 95 -10.615 5.000 -2.702 729 HA LEU 95 HA LEU 95 -12.615 6.907 -2.133 730 1HB LEU 95 1HB LEU 95 -9.773 7.381 -3.019 731 2HB LEU 95 2HB LEU 95 -10.824 8.549 -2.222 732 HG LEU 95 HG LEU 95 -10.204 5.991 -0.822 733 1HD1 LEU 95 1HD1 LEU 95 -8.348 8.169 -0.233 734 2HD1 LEU 95 2HD1 LEU 95 -8.133 7.459 -1.833 735 3HD1 LEU 95 3HD1 LEU 95 -8.056 6.437 -0.398 736 1HD2 LEU 95 1HD2 LEU 95 -10.172 7.723 1.091 737 2HD2 LEU 95 2HD2 LEU 95 -11.719 7.299 0.357 738 3HD2 LEU 95 3HD2 LEU 95 -10.915 8.806 -0.086 739 H SER 96 H SER 96 -10.891 6.061 -5.080 740 HA SER 96 HA SER 96 -12.059 8.246 -6.574 741 1HB SER 96 1HB SER 96 -10.624 7.671 -8.290 742 2HB SER 96 2HB SER 96 -9.731 7.033 -6.909 743 HG SER 96 HG SER 96 -10.389 5.688 -8.980 744 HA PRO 97 HA PRO 97 -15.697 6.204 -7.949 745 1HB PRO 97 1HB PRO 97 -16.039 7.392 -10.366 746 2HB PRO 97 2HB PRO 97 -16.334 8.226 -8.835 747 1HG PRO 97 1HG PRO 97 -13.938 8.344 -10.626 748 2HG PRO 97 2HG PRO 97 -14.774 9.664 -9.786 749 1HD PRO 97 1HD PRO 97 -12.476 8.571 -8.858 750 2HD PRO 97 2HD PRO 97 -13.730 9.217 -7.780 751 H SER 98 H SER 98 -13.071 6.424 -10.335 752 HA SER 98 HA SER 98 -13.021 3.657 -10.847 753 1HB SER 98 1HB SER 98 -14.732 5.327 -12.640 754 2HB SER 98 2HB SER 98 -13.779 4.029 -13.358 755 HG SER 98 HG SER 98 -16.088 3.805 -12.156 756 H LEU 99 H LEU 99 -11.256 3.072 -12.075 757 HA LEU 99 HA LEU 99 -9.761 5.186 -13.440 758 1HB LEU 99 1HB LEU 99 -8.867 3.598 -11.089 759 2HB LEU 99 2HB LEU 99 -7.684 3.979 -12.339 760 HG LEU 99 HG LEU 99 -9.308 6.039 -10.849 761 1HD1 LEU 99 1HD1 LEU 99 -7.965 5.367 -9.149 762 2HD1 LEU 99 2HD1 LEU 99 -6.834 6.446 -9.965 763 3HD1 LEU 99 3HD1 LEU 99 -6.737 4.705 -10.228 764 1HD2 LEU 99 1HD2 LEU 99 -6.988 7.171 -11.844 765 2HD2 LEU 99 2HD2 LEU 99 -8.613 7.359 -12.504 766 3HD2 LEU 99 3HD2 LEU 99 -7.539 6.116 -13.146 767 H GLU 100 H GLU 100 -8.442 4.477 -15.114 768 HA GLU 100 HA GLU 100 -8.145 1.639 -15.616 769 1HB GLU 100 1HB GLU 100 -9.615 3.391 -17.594 770 2HB GLU 100 2HB GLU 100 -9.199 1.697 -17.814 771 1HG GLU 100 1HG GLU 100 -10.624 1.188 -15.816 772 2HG GLU 100 2HG GLU 100 -11.165 2.865 -15.865 773 H SER 101 H SER 101 -6.385 1.172 -16.849 774 HA SER 101 HA SER 101 -5.117 3.206 -18.470 775 1HB SER 101 1HB SER 101 -3.038 3.288 -17.287 776 2HB SER 101 2HB SER 101 -4.307 3.595 -16.102 777 HG SER 101 HG SER 101 -2.489 1.901 -15.759 778 H SER 102 H SER 102 -3.068 2.318 -19.485 779 HA SER 102 HA SER 102 -3.665 -0.254 -20.590 780 1HB SER 102 1HB SER 102 -1.417 1.713 -20.995 781 2HB SER 102 2HB SER 102 -1.426 0.136 -21.785 782 HG SER 102 HG SER 102 -3.379 0.701 -22.776 783 H SER 103 H SER 103 -2.997 -2.177 -19.913 784 HA SER 103 HA SER 103 -0.501 -2.404 -18.408 785 1HB SER 103 1HB SER 103 -2.283 -2.169 -16.715 786 2HB SER 103 2HB SER 103 -3.130 -3.543 -17.424 787 HG SER 103 HG SER 103 -1.740 -3.998 -15.559 788 H GLN 104 H GLN 104 0.408 -4.509 -18.413 789 HA GLN 104 HA GLN 104 -0.866 -6.460 -20.193 790 1HB GLN 104 1HB GLN 104 0.660 -5.302 -21.635 791 2HB GLN 104 2HB GLN 104 1.948 -5.397 -20.442 792 1HG GLN 104 1HG GLN 104 2.040 -7.813 -20.711 793 2HG GLN 104 2HG GLN 104 0.725 -7.739 -21.883 794 1HE2 GLN 104 1HE2 GLN 104 1.112 -6.603 -23.875 795 2HE2 GLN 104 2HE2 GLN 104 2.712 -6.522 -24.519 796 H VAL 105 H VAL 105 -0.615 -8.548 -19.594 797 HA VAL 105 HA VAL 105 0.575 -9.053 -17.008 798 HB VAL 105 HB VAL 105 -0.346 -11.305 -17.222 799 1HG1 VAL 105 1HG1 VAL 105 -1.908 -8.865 -17.429 800 2HG1 VAL 105 2HG1 VAL 105 -2.793 -10.284 -17.991 801 3HG1 VAL 105 3HG1 VAL 105 -2.116 -10.254 -16.363 802 1HG2 VAL 105 1HG2 VAL 105 -1.923 -11.471 -19.375 803 2HG2 VAL 105 2HG2 VAL 105 -0.627 -10.485 -20.051 804 3HG2 VAL 105 3HG2 VAL 105 -0.263 -12.065 -19.358 805 H GLU 106 H GLU 106 2.412 -10.154 -16.581 806 HA GLU 106 HA GLU 106 3.938 -11.169 -18.890 807 1HB GLU 106 1HB GLU 106 4.747 -9.481 -16.578 808 2HB GLU 106 2HB GLU 106 5.905 -10.673 -17.151 809 1HG GLU 106 1HG GLU 106 5.725 -9.707 -19.416 810 2HG GLU 106 2HG GLU 106 4.658 -8.463 -18.767 811 HA PRO 107 HA PRO 107 4.238 -15.090 -16.946 812 1HB PRO 107 1HB PRO 107 6.728 -15.881 -17.683 813 2HB PRO 107 2HB PRO 107 5.371 -15.806 -18.813 814 1HG PRO 107 1HG PRO 107 7.587 -13.840 -18.381 815 2HG PRO 107 2HG PRO 107 6.883 -14.416 -19.903 816 1HD PRO 107 1HD PRO 107 6.228 -12.029 -18.807 817 2HD PRO 107 2HD PRO 107 5.076 -12.994 -19.752 818 H GLY 108 H GLY 108 4.487 -15.538 -14.853 819 1HA GLY 108 1HA GLY 108 6.187 -16.098 -13.135 820 2HA GLY 108 2HA GLY 108 6.918 -14.541 -13.497 821 H THR 109 H THR 109 3.742 -15.859 -12.551 822 HA THR 109 HA THR 109 3.401 -13.519 -10.798 823 HB THR 109 HB THR 109 1.218 -15.378 -11.743 824 HG1 THR 109 1HG THR 109 0.906 -14.041 -13.432 825 1HG2 THR 109 1HG2 THR 109 0.199 -14.284 -10.041 826 2HG2 THR 109 2HG2 THR 109 0.043 -13.002 -11.242 827 3HG2 THR 109 3HG2 THR 109 1.355 -12.953 -10.065 828 H ASP 110 H ASP 110 4.642 -14.446 -9.098 829 HA ASP 110 HA ASP 110 4.392 -16.926 -7.951 830 1HB ASP 110 1HB ASP 110 6.023 -15.139 -7.289 831 2HB ASP 110 2HB ASP 110 4.725 -14.356 -6.393 832 H SER 111 H SER 111 2.495 -14.024 -7.145 833 HA SER 111 HA SER 111 0.627 -15.715 -5.641 834 1HB SER 111 1HB SER 111 -0.219 -13.636 -4.671 835 2HB SER 111 2HB SER 111 1.533 -13.724 -4.484 836 HG SER 111 HG SER 111 0.612 -11.669 -5.273 837 H GLY 112 H GLY 112 -0.401 -16.630 -7.477 838 1HA GLY 112 1HA GLY 112 -2.031 -14.729 -9.041 839 2HA GLY 112 2HA GLY 112 -1.528 -16.314 -9.612 840 HA PRO 113 HA PRO 113 -5.401 -17.936 -8.345 841 1HB PRO 113 1HB PRO 113 -4.723 -20.527 -7.902 842 2HB PRO 113 2HB PRO 113 -4.843 -19.829 -9.521 843 1HG PRO 113 1HG PRO 113 -2.412 -20.314 -7.842 844 2HG PRO 113 2HG PRO 113 -2.651 -20.605 -9.575 845 1HD PRO 113 1HD PRO 113 -1.343 -18.431 -8.630 846 2HD PRO 113 2HD PRO 113 -2.302 -18.394 -10.123 847 H SER 114 H SER 114 -2.862 -17.492 -6.250 848 HA SER 114 HA SER 114 -2.782 -17.270 -3.979 849 1HB SER 114 1HB SER 114 -5.310 -16.725 -4.361 850 2HB SER 114 2HB SER 114 -5.575 -18.336 -3.695 851 HG SER 114 HG SER 114 -3.868 -16.591 -2.329 852 H SER 115 H SER 115 -1.585 -19.411 -4.943 853 HA SER 115 HA SER 115 -2.279 -21.536 -3.030 854 1HB SER 115 1HB SER 115 -1.493 -23.193 -4.755 855 2HB SER 115 2HB SER 115 -2.990 -22.361 -5.175 856 HG SER 115 HG SER 115 -0.399 -21.991 -6.220 857 H GLY 116 H GLY 116 -0.549 -22.671 -2.129 858 1HA GLY 116 1HA GLY 116 2.062 -21.344 -2.487 859 2HA GLY 116 2HA GLY 116 1.527 -22.119 -1.003 Start of MODEL 19 1 1H GLY 1 H GLY 1 -43.861 -14.850 -10.052 2 1HA GLY 1 1HA GLY 1 -41.786 -15.824 -9.922 3 2HA GLY 1 2HA GLY 1 -42.566 -17.249 -10.593 4 H SER 2 H SER 2 -40.828 -17.852 -11.863 5 HA SER 2 HA SER 2 -39.357 -17.818 -13.610 6 1HB SER 2 1HB SER 2 -41.545 -18.024 -14.773 7 2HB SER 2 2HB SER 2 -41.598 -16.268 -14.931 8 HG SER 2 HG SER 2 -40.755 -17.121 -16.814 9 H SER 3 H SER 3 -38.794 -15.823 -11.771 10 HA SER 3 HA SER 3 -37.944 -13.586 -13.493 11 1HB SER 3 1HB SER 3 -37.868 -12.231 -11.386 12 2HB SER 3 2HB SER 3 -39.488 -12.782 -11.817 13 HG SER 3 HG SER 3 -39.538 -13.654 -9.917 14 H GLY 4 H GLY 4 -35.871 -12.617 -12.989 15 1HA GLY 4 1HA GLY 4 -34.032 -13.824 -11.195 16 2HA GLY 4 2HA GLY 4 -33.786 -14.443 -12.821 17 H SER 5 H SER 5 -31.640 -13.336 -12.123 18 HA SER 5 HA SER 5 -31.547 -10.808 -13.543 19 1HB SER 5 1HB SER 5 -30.344 -9.633 -11.753 20 2HB SER 5 2HB SER 5 -31.955 -10.110 -11.217 21 HG SER 5 HG SER 5 -29.855 -11.884 -10.747 22 H SER 6 H SER 6 -29.227 -10.054 -13.774 23 HA SER 6 HA SER 6 -27.278 -12.226 -13.605 24 1HB SER 6 1HB SER 6 -26.580 -11.759 -15.988 25 2HB SER 6 2HB SER 6 -28.144 -12.556 -15.816 26 HG SER 6 HG SER 6 -28.099 -9.766 -15.893 27 H GLY 7 H GLY 7 -25.064 -11.507 -13.923 28 1HA GLY 7 1HA GLY 7 -24.189 -8.930 -14.358 29 2HA GLY 7 2HA GLY 7 -24.587 -8.997 -12.648 30 H MET 8 H MET 8 -22.414 -10.069 -15.138 31 HA MET 8 HA MET 8 -20.502 -10.853 -13.069 32 1HB MET 8 1HB MET 8 -19.830 -12.818 -14.531 33 2HB MET 8 2HB MET 8 -21.351 -12.979 -13.662 34 1HG MET 8 1HG MET 8 -21.342 -11.949 -16.462 35 2HG MET 8 2HG MET 8 -21.189 -13.678 -16.155 36 1HE MET 8 1HE MET 8 -24.198 -15.002 -16.167 37 2HE MET 8 2HE MET 8 -22.584 -15.116 -15.465 38 3HE MET 8 3HE MET 8 -23.984 -14.854 -14.423 39 H ASN 9 H ASN 9 -18.491 -10.135 -13.457 40 HA ASN 9 HA ASN 9 -17.811 -9.281 -16.187 41 1HB ASN 9 1HB ASN 9 -16.986 -7.684 -13.770 42 2HB ASN 9 2HB ASN 9 -16.961 -7.200 -15.463 43 1HD2 ASN 9 1HD2 ASN 9 -18.107 -5.644 -13.492 44 2HD2 ASN 9 2HD2 ASN 9 -19.816 -5.585 -13.740 45 H ARG 10 H ARG 10 -16.451 -11.000 -16.555 46 HA ARG 10 HA ARG 10 -14.569 -12.014 -14.732 47 1HB ARG 10 1HB ARG 10 -14.701 -12.107 -17.745 48 2HB ARG 10 2HB ARG 10 -13.465 -12.947 -16.817 49 1HG ARG 10 1HG ARG 10 -16.414 -13.380 -16.423 50 2HG ARG 10 2HG ARG 10 -15.418 -14.345 -17.514 51 1HD ARG 10 1HD ARG 10 -13.920 -14.752 -15.477 52 2HD ARG 10 2HD ARG 10 -15.268 -14.136 -14.523 53 HE ARG 10 HE ARG 10 -16.117 -16.184 -16.298 54 1HH1 ARG 10 2HH1 ARG 10 -14.448 -15.637 -13.292 55 2HH1 ARG 10 1HH1 ARG 10 -14.858 -17.186 -12.633 56 1HH2 ARG 10 2HH2 ARG 10 -16.662 -18.226 -15.441 57 2HH2 ARG 10 1HH2 ARG 10 -16.116 -18.658 -13.856 58 H THR 11 H THR 11 -13.115 -10.705 -13.802 59 HA THR 11 HA THR 11 -11.205 -9.341 -15.548 60 HB THR 11 HB THR 11 -12.406 -7.947 -13.153 61 HG1 THR 11 1HG THR 11 -14.014 -7.890 -14.641 62 1HG2 THR 11 1HG2 THR 11 -11.000 -6.216 -13.577 63 2HG2 THR 11 2HG2 THR 11 -11.013 -6.491 -15.319 64 3HG2 THR 11 3HG2 THR 11 -10.008 -7.495 -14.275 65 H ALA 12 H ALA 12 -9.135 -9.212 -14.735 66 HA ALA 12 HA ALA 12 -8.619 -10.872 -12.386 67 1HB ALA 12 1HB ALA 12 -6.776 -11.549 -13.436 68 2HB ALA 12 2HB ALA 12 -7.397 -10.710 -14.859 69 3HB ALA 12 3HB ALA 12 -6.269 -9.894 -13.776 70 H MET 13 H MET 13 -7.391 -10.190 -10.631 71 HA MET 13 HA MET 13 -7.156 -7.269 -10.361 72 1HB MET 13 1HB MET 13 -7.384 -9.344 -8.174 73 2HB MET 13 2HB MET 13 -7.354 -7.599 -7.953 74 1HG MET 13 1HG MET 13 -9.487 -7.324 -8.826 75 2HG MET 13 2HG MET 13 -9.462 -8.890 -9.633 76 1HE MET 13 1HE MET 13 -11.505 -7.303 -7.801 77 2HE MET 13 2HE MET 13 -12.018 -8.226 -6.388 78 3HE MET 13 3HE MET 13 -10.684 -7.078 -6.255 79 H ARG 14 H ARG 14 -5.084 -7.169 -11.315 80 HA ARG 14 HA ARG 14 -2.942 -8.047 -9.510 81 1HB ARG 14 1HB ARG 14 -1.549 -8.727 -11.384 82 2HB ARG 14 2HB ARG 14 -3.050 -9.642 -11.384 83 1HG ARG 14 1HG ARG 14 -3.798 -7.688 -13.015 84 2HG ARG 14 2HG ARG 14 -2.058 -7.619 -13.304 85 1HD ARG 14 1HD ARG 14 -2.370 -10.246 -13.495 86 2HD ARG 14 2HD ARG 14 -4.012 -9.768 -13.927 87 HE ARG 14 HE ARG 14 -3.213 -9.109 -15.954 88 1HH1 ARG 14 2HH1 ARG 14 -0.569 -9.154 -13.690 89 2HH1 ARG 14 1HH1 ARG 14 0.629 -8.773 -14.881 90 1HH2 ARG 14 2HH2 ARG 14 -1.644 -8.607 -17.532 91 2HH2 ARG 14 1HH2 ARG 14 0.017 -8.461 -17.067 92 H ALA 15 H ALA 15 -1.921 -6.291 -8.833 93 HA ALA 15 HA ALA 15 -1.768 -3.956 -10.615 94 1HB ALA 15 1HB ALA 15 -1.550 -4.159 -7.616 95 2HB ALA 15 2HB ALA 15 -1.286 -2.677 -8.536 96 3HB ALA 15 3HB ALA 15 -2.870 -3.451 -8.548 97 H SER 16 H SER 16 0.190 -2.854 -10.900 98 HA SER 16 HA SER 16 2.590 -4.389 -10.145 99 1HB SER 16 1HB SER 16 1.989 -2.887 -12.698 100 2HB SER 16 2HB SER 16 3.607 -3.437 -12.261 101 HG SER 16 HG SER 16 1.301 -5.029 -12.701 102 H GLN 17 H GLN 17 4.622 -2.977 -10.289 103 HA GLN 17 HA GLN 17 4.638 -1.073 -8.340 104 1HB GLN 17 1HB GLN 17 6.576 -2.171 -9.746 105 2HB GLN 17 2HB GLN 17 6.464 -0.682 -10.674 106 1HG GLN 17 1HG GLN 17 6.650 -0.473 -7.721 107 2HG GLN 17 2HG GLN 17 8.096 -0.931 -8.619 108 1HE2 GLN 17 1HE2 GLN 17 6.586 1.601 -7.297 109 2HE2 GLN 17 2HE2 GLN 17 7.148 2.874 -8.321 110 H LYS 18 H LYS 18 4.596 -0.352 -11.834 111 HA LYS 18 HA LYS 18 4.381 2.375 -11.750 112 1HB LYS 18 1HB LYS 18 4.505 0.834 -13.787 113 2HB LYS 18 2HB LYS 18 2.755 0.710 -13.664 114 1HG LYS 18 1HG LYS 18 2.705 3.238 -13.791 115 2HG LYS 18 2HG LYS 18 4.406 3.147 -14.251 116 1HD LYS 18 1HD LYS 18 3.225 3.229 -16.283 117 2HD LYS 18 2HD LYS 18 3.658 1.530 -16.074 118 1HE LYS 18 1HE LYS 18 1.441 1.380 -16.690 119 2HE LYS 18 2HE LYS 18 1.327 1.359 -14.931 120 1HZ LYS 18 1HZ LYS 18 0.135 3.148 -16.706 121 2HZ LYS 18 2HZ LYS 18 1.275 4.023 -15.815 122 3HZ LYS 18 3HZ LYS 18 0.062 3.156 -15.015 123 H ASP 19 H ASP 19 1.744 0.020 -11.482 124 HA ASP 19 HA ASP 19 -0.373 1.856 -11.363 125 1HB ASP 19 1HB ASP 19 -0.019 -0.968 -10.409 126 2HB ASP 19 2HB ASP 19 -1.491 -0.081 -10.027 127 H PHE 20 H PHE 20 1.757 0.580 -8.868 128 HA PHE 20 HA PHE 20 0.364 1.543 -6.627 129 1HB PHE 20 1HB PHE 20 2.167 -0.111 -6.457 130 2HB PHE 20 2HB PHE 20 3.337 1.099 -6.973 131 HD1 PHE 20 1HD PHE 20 3.841 3.029 -5.496 132 HD2 PHE 20 2HD PHE 20 1.441 -0.244 -4.214 133 HE1 PHE 20 1HE PHE 20 4.185 3.699 -3.153 134 HE2 PHE 20 2HE PHE 20 1.780 0.421 -1.870 135 HZ PHE 20 HZ PHE 20 3.153 2.395 -1.337 136 H GLU 21 H GLU 21 3.202 2.942 -8.276 137 HA GLU 21 HA GLU 21 3.443 5.279 -6.858 138 1HB GLU 21 1HB GLU 21 4.051 4.510 -9.672 139 2HB GLU 21 2HB GLU 21 4.133 6.214 -9.249 140 1HG GLU 21 1HG GLU 21 5.734 5.693 -7.474 141 2HG GLU 21 2HG GLU 21 5.662 3.989 -7.919 142 H ASN 22 H ASN 22 1.020 4.417 -9.193 143 HA ASN 22 HA ASN 22 0.059 7.088 -9.612 144 1HB ASN 22 1HB ASN 22 -1.007 4.355 -10.302 145 2HB ASN 22 2HB ASN 22 -1.942 5.816 -10.605 146 1HD2 ASN 22 1HD2 ASN 22 -0.448 3.710 -12.275 147 2HD2 ASN 22 2HD2 ASN 22 0.418 4.665 -13.426 148 H SER 23 H SER 23 -1.030 4.288 -7.719 149 HA SER 23 HA SER 23 -3.357 5.449 -6.673 150 1HB SER 23 1HB SER 23 -1.611 3.155 -5.915 151 2HB SER 23 2HB SER 23 -2.762 3.739 -4.714 152 HG SER 23 HG SER 23 -3.203 2.410 -7.095 153 H MET 24 H MET 24 -0.122 5.152 -5.203 154 HA MET 24 HA MET 24 -0.618 6.506 -2.841 155 1HB MET 24 1HB MET 24 1.841 7.063 -2.890 156 2HB MET 24 2HB MET 24 1.452 5.360 -3.092 157 1HG MET 24 1HG MET 24 2.154 5.307 -5.253 158 2HG MET 24 2HG MET 24 1.758 7.000 -5.539 159 1HE MET 24 1HE MET 24 5.170 8.299 -5.901 160 2HE MET 24 2HE MET 24 3.762 7.689 -6.771 161 3HE MET 24 3HE MET 24 3.561 8.912 -5.514 162 H ASN 25 H ASN 25 0.101 7.781 -6.040 163 HA ASN 25 HA ASN 25 0.551 10.458 -5.304 164 1HB ASN 25 1HB ASN 25 1.061 9.411 -7.542 165 2HB ASN 25 2HB ASN 25 -0.659 9.510 -7.906 166 1HD2 ASN 25 1HD2 ASN 25 -0.034 10.836 -9.694 167 2HD2 ASN 25 2HD2 ASN 25 0.299 12.515 -9.452 168 H GLN 26 H GLN 26 -2.406 8.817 -6.407 169 HA GLN 26 HA GLN 26 -4.141 10.965 -6.407 170 1HB GLN 26 1HB GLN 26 -4.719 8.109 -5.603 171 2HB GLN 26 2HB GLN 26 -5.941 9.309 -6.001 172 1HG GLN 26 1HG GLN 26 -4.919 9.502 -8.261 173 2HG GLN 26 2HG GLN 26 -3.857 8.160 -7.838 174 1HE2 GLN 26 1HE2 GLN 26 -7.287 9.038 -7.932 175 2HE2 GLN 26 2HE2 GLN 26 -7.851 7.483 -8.431 176 H VAL 27 H VAL 27 -3.188 8.900 -3.693 177 HA VAL 27 HA VAL 27 -4.921 9.965 -1.767 178 HB VAL 27 HB VAL 27 -2.144 8.881 -1.279 179 1HG1 VAL 27 1HG1 VAL 27 -2.678 8.680 0.934 180 2HG1 VAL 27 2HG1 VAL 27 -3.604 10.128 0.534 181 3HG1 VAL 27 3HG1 VAL 27 -4.409 8.561 0.621 182 1HG2 VAL 27 1HG2 VAL 27 -4.611 7.585 -2.149 183 2HG2 VAL 27 2HG2 VAL 27 -2.950 6.994 -2.176 184 3HG2 VAL 27 3HG2 VAL 27 -3.908 6.864 -0.701 185 H LYS 28 H LYS 28 -1.817 11.070 -2.964 186 HA LYS 28 HA LYS 28 -1.535 13.101 -0.933 187 1HB LYS 28 1HB LYS 28 0.000 12.766 -3.516 188 2HB LYS 28 2HB LYS 28 0.466 13.763 -2.144 189 1HG LYS 28 1HG LYS 28 0.856 11.847 -0.785 190 2HG LYS 28 2HG LYS 28 0.147 10.776 -1.995 191 1HD LYS 28 1HD LYS 28 1.977 11.552 -3.562 192 2HD LYS 28 2HD LYS 28 2.734 12.308 -2.158 193 1HE LYS 28 1HE LYS 28 2.483 9.957 -1.084 194 2HE LYS 28 2HE LYS 28 2.305 9.405 -2.749 195 1HZ LYS 28 1HZ LYS 28 4.488 11.054 -2.793 196 2HZ LYS 28 2HZ LYS 28 4.510 9.363 -2.816 197 3HZ LYS 28 3HZ LYS 28 4.663 10.191 -1.349 198 H LEU 29 H LEU 29 -3.220 12.797 -3.851 199 HA LEU 29 HA LEU 29 -3.130 15.572 -4.613 200 1HB LEU 29 1HB LEU 29 -4.473 13.115 -5.587 201 2HB LEU 29 2HB LEU 29 -5.223 14.659 -5.989 202 HG LEU 29 HG LEU 29 -3.257 15.365 -7.179 203 1HD1 LEU 29 1HD1 LEU 29 -1.802 13.895 -5.507 204 2HD1 LEU 29 2HD1 LEU 29 -1.214 14.384 -7.095 205 3HD1 LEU 29 3HD1 LEU 29 -1.874 12.766 -6.860 206 1HD2 LEU 29 1HD2 LEU 29 -4.972 13.570 -8.096 207 2HD2 LEU 29 2HD2 LEU 29 -3.521 12.569 -8.146 208 3HD2 LEU 29 3HD2 LEU 29 -3.576 14.089 -9.040 209 H LEU 30 H LEU 30 -5.299 13.466 -2.821 210 HA LEU 30 HA LEU 30 -7.426 15.359 -2.626 211 1HB LEU 30 1HB LEU 30 -8.482 13.821 -1.207 212 2HB LEU 30 2HB LEU 30 -7.595 12.848 -2.379 213 HG LEU 30 HG LEU 30 -5.768 12.870 -0.454 214 1HD1 LEU 30 1HD1 LEU 30 -7.021 14.323 1.038 215 2HD1 LEU 30 2HD1 LEU 30 -6.834 12.719 1.745 216 3HD1 LEU 30 3HD1 LEU 30 -8.374 13.192 1.028 217 1HD2 LEU 30 1HD2 LEU 30 -8.217 11.108 -0.455 218 2HD2 LEU 30 2HD2 LEU 30 -6.670 10.729 0.302 219 3HD2 LEU 30 3HD2 LEU 30 -6.778 10.886 -1.451 220 H LYS 31 H LYS 31 -7.916 16.791 -1.023 221 HA LYS 31 HA LYS 31 -5.882 17.157 1.079 222 1HB LYS 31 1HB LYS 31 -6.486 19.578 1.013 223 2HB LYS 31 2HB LYS 31 -5.740 18.990 -0.468 224 1HG LYS 31 1HG LYS 31 -7.441 20.186 -1.369 225 2HG LYS 31 2HG LYS 31 -8.269 18.640 -1.167 226 1HD LYS 31 1HD LYS 31 -8.841 19.637 1.203 227 2HD LYS 31 2HD LYS 31 -8.556 21.172 0.379 228 1HE LYS 31 1HE LYS 31 -10.899 20.638 0.257 229 2HE LYS 31 2HE LYS 31 -10.193 20.493 -1.352 230 1HZ LYS 31 1HZ LYS 31 -10.518 18.276 -1.396 231 2HZ LYS 31 2HZ LYS 31 -11.746 18.638 -0.291 232 3HZ LYS 31 3HZ LYS 31 -10.251 18.072 0.263 233 H LYS 32 H LYS 32 -8.753 15.884 0.749 234 HA LYS 32 HA LYS 32 -10.112 17.272 2.927 235 1HB LYS 32 1HB LYS 32 -11.632 16.749 1.232 236 2HB LYS 32 2HB LYS 32 -10.919 15.166 0.948 237 1HG LYS 32 1HG LYS 32 -12.071 14.186 2.650 238 2HG LYS 32 2HG LYS 32 -12.156 15.673 3.597 239 1HD LYS 32 1HD LYS 32 -14.344 15.439 2.906 240 2HD LYS 32 2HD LYS 32 -13.690 16.489 1.647 241 1HE LYS 32 1HE LYS 32 -13.163 14.211 0.460 242 2HE LYS 32 2HE LYS 32 -14.427 13.599 1.526 243 1HZ LYS 32 1HZ LYS 32 -15.162 16.037 0.211 244 2HZ LYS 32 2HZ LYS 32 -16.000 14.572 0.312 245 3HZ LYS 32 3HZ LYS 32 -14.822 14.792 -0.882 246 H ASP 33 H ASP 33 -8.711 16.709 4.639 247 HA ASP 33 HA ASP 33 -7.622 14.395 5.419 248 1HB ASP 33 1HB ASP 33 -8.268 15.021 7.811 249 2HB ASP 33 2HB ASP 33 -7.394 16.236 6.882 250 HA PRO 34 HA PRO 34 -11.296 11.743 5.226 251 1HB PRO 34 1HB PRO 34 -9.875 9.440 4.997 252 2HB PRO 34 2HB PRO 34 -10.214 10.501 3.624 253 1HG PRO 34 1HG PRO 34 -7.731 10.283 5.281 254 2HG PRO 34 2HG PRO 34 -7.892 10.436 3.522 255 1HD PRO 34 1HD PRO 34 -7.276 12.536 5.116 256 2HD PRO 34 2HD PRO 34 -8.221 12.715 3.623 257 H GLY 35 H GLY 35 -8.345 11.106 7.116 258 1HA GLY 35 1HA GLY 35 -9.097 11.173 9.626 259 2HA GLY 35 2HA GLY 35 -9.950 9.717 9.136 260 H ASN 36 H ASN 36 -7.644 10.293 11.023 261 HA ASN 36 HA ASN 36 -5.246 9.280 10.079 262 1HB ASN 36 1HB ASN 36 -6.545 9.325 12.778 263 2HB ASN 36 2HB ASN 36 -5.045 8.429 12.558 264 1HD2 ASN 36 1HD2 ASN 36 -3.157 9.506 12.406 265 2HD2 ASN 36 2HD2 ASN 36 -3.008 11.224 12.511 266 H GLU 37 H GLU 37 -8.215 7.678 10.456 267 HA GLU 37 HA GLU 37 -7.368 5.063 11.051 268 1HB GLU 37 1HB GLU 37 -9.525 4.344 10.300 269 2HB GLU 37 2HB GLU 37 -9.731 5.887 11.118 270 1HG GLU 37 1HG GLU 37 -9.859 7.028 8.979 271 2HG GLU 37 2HG GLU 37 -9.599 5.502 8.136 272 H VAL 38 H VAL 38 -7.833 6.734 7.961 273 HA VAL 38 HA VAL 38 -6.952 4.426 6.451 274 HB VAL 38 HB VAL 38 -8.655 5.756 5.423 275 1HG1 VAL 38 1HG1 VAL 38 -6.760 8.075 5.769 276 2HG1 VAL 38 2HG1 VAL 38 -8.229 8.128 4.792 277 3HG1 VAL 38 3HG1 VAL 38 -8.335 7.858 6.532 278 1HG2 VAL 38 1HG2 VAL 38 -6.108 6.424 3.964 279 2HG2 VAL 38 2HG2 VAL 38 -6.805 4.804 4.001 280 3HG2 VAL 38 3HG2 VAL 38 -7.707 6.135 3.279 281 H LYS 39 H LYS 39 -5.719 7.638 7.282 282 HA LYS 39 HA LYS 39 -3.433 7.748 5.766 283 1HB LYS 39 1HB LYS 39 -4.203 8.820 8.431 284 2HB LYS 39 2HB LYS 39 -2.499 8.883 8.002 285 1HG LYS 39 1HG LYS 39 -3.213 10.916 7.240 286 2HG LYS 39 2HG LYS 39 -3.404 9.936 5.785 287 1HD LYS 39 1HD LYS 39 -5.450 10.942 5.818 288 2HD LYS 39 2HD LYS 39 -5.812 9.538 6.825 289 1HE LYS 39 1HE LYS 39 -6.651 11.658 7.780 290 2HE LYS 39 2HE LYS 39 -5.497 10.838 8.830 291 1HZ LYS 39 1HZ LYS 39 -5.372 13.445 7.854 292 2HZ LYS 39 2HZ LYS 39 -4.103 12.590 7.135 293 3HZ LYS 39 3HZ LYS 39 -4.239 12.642 8.820 294 H LEU 40 H LEU 40 -4.156 5.584 8.327 295 HA LEU 40 HA LEU 40 -1.363 4.857 8.742 296 1HB LEU 40 1HB LEU 40 -3.940 3.994 10.024 297 2HB LEU 40 2HB LEU 40 -2.410 3.184 10.349 298 HG LEU 40 HG LEU 40 -2.700 6.134 10.789 299 1HD1 LEU 40 1HD1 LEU 40 -2.996 5.048 13.274 300 2HD1 LEU 40 2HD1 LEU 40 -3.990 3.979 12.285 301 3HD1 LEU 40 3HD1 LEU 40 -4.301 5.715 12.293 302 1HD2 LEU 40 1HD2 LEU 40 -1.104 4.412 12.560 303 2HD2 LEU 40 2HD2 LEU 40 -0.719 5.977 11.844 304 3HD2 LEU 40 3HD2 LEU 40 -0.546 4.503 10.890 305 H LYS 41 H LYS 41 -4.377 3.411 7.558 306 HA LYS 41 HA LYS 41 -3.386 0.864 6.972 307 1HB LYS 41 1HB LYS 41 -5.391 0.479 5.916 308 2HB LYS 41 2HB LYS 41 -5.821 1.870 6.903 309 1HG LYS 41 1HG LYS 41 -5.567 3.346 5.017 310 2HG LYS 41 2HG LYS 41 -4.986 2.015 4.013 311 1HD LYS 41 1HD LYS 41 -7.463 2.748 3.824 312 2HD LYS 41 2HD LYS 41 -7.082 1.026 3.890 313 1HE LYS 41 1HE LYS 41 -7.658 2.535 6.407 314 2HE LYS 41 2HE LYS 41 -8.985 1.993 5.380 315 1HZ LYS 41 1HZ LYS 41 -7.310 -0.177 5.643 316 2HZ LYS 41 2HZ LYS 41 -8.814 0.040 6.384 317 3HZ LYS 41 3HZ LYS 41 -7.400 0.494 7.194 318 H LEU 42 H LEU 42 -3.124 3.881 5.242 319 HA LEU 42 HA LEU 42 -2.237 2.713 2.779 320 1HB LEU 42 1HB LEU 42 -2.550 5.442 3.880 321 2HB LEU 42 2HB LEU 42 -1.378 5.239 2.579 322 HG LEU 42 HG LEU 42 -3.435 5.950 1.610 323 1HD1 LEU 42 1HD1 LEU 42 -2.089 3.844 0.720 324 2HD1 LEU 42 2HD1 LEU 42 -3.553 4.426 -0.070 325 3HD1 LEU 42 3HD1 LEU 42 -3.633 3.050 1.030 326 1HD2 LEU 42 1HD2 LEU 42 -4.651 4.718 3.723 327 2HD2 LEU 42 2HD2 LEU 42 -5.062 3.646 2.383 328 3HD2 LEU 42 3HD2 LEU 42 -5.479 5.358 2.303 329 H TYR 43 H TYR 43 -0.743 3.719 5.740 330 HA TYR 43 HA TYR 43 1.928 3.775 4.627 331 1HB TYR 43 1HB TYR 43 1.919 5.255 6.361 332 2HB TYR 43 2HB TYR 43 0.685 4.370 7.251 333 HD1 TYR 43 1HD TYR 43 4.284 4.642 6.567 334 HD2 TYR 43 2HD TYR 43 1.284 2.656 8.836 335 HE1 TYR 43 1HE TYR 43 6.020 3.732 8.053 336 HE2 TYR 43 2HE TYR 43 3.011 1.741 10.329 337 HH TYR 43 HH TYR 43 5.754 2.788 10.830 338 H ALA 44 H ALA 44 -0.096 1.592 6.485 339 HA ALA 44 HA ALA 44 1.799 -0.238 7.366 340 1HB ALA 44 1HB ALA 44 -0.335 -0.542 8.227 341 2HB ALA 44 2HB ALA 44 -1.093 -0.498 6.635 342 3HB ALA 44 3HB ALA 44 -0.154 -1.908 7.126 343 H LEU 45 H LEU 45 0.080 -0.108 4.264 344 HA LEU 45 HA LEU 45 1.281 -2.473 3.228 345 1HB LEU 45 1HB LEU 45 -0.271 -0.209 2.028 346 2HB LEU 45 2HB LEU 45 0.471 -1.439 1.006 347 HG LEU 45 HG LEU 45 -1.739 -2.140 1.238 348 1HD1 LEU 45 1HD1 LEU 45 -0.353 -3.598 3.476 349 2HD1 LEU 45 2HD1 LEU 45 -0.015 -3.879 1.768 350 3HD1 LEU 45 3HD1 LEU 45 -1.624 -4.202 2.414 351 1HD2 LEU 45 1HD2 LEU 45 -1.502 -1.430 4.157 352 2HD2 LEU 45 2HD2 LEU 45 -2.879 -2.275 3.449 353 3HD2 LEU 45 3HD2 LEU 45 -2.494 -0.630 2.938 354 H TYR 46 H TYR 46 1.864 0.993 2.691 355 HA TYR 46 HA TYR 46 3.805 0.970 0.797 356 1HB TYR 46 1HB TYR 46 3.322 3.109 1.475 357 2HB TYR 46 2HB TYR 46 3.324 2.684 3.183 358 HD1 TYR 46 1HD TYR 46 5.772 2.745 0.351 359 HD2 TYR 46 2HD TYR 46 5.004 3.621 4.443 360 HE1 TYR 46 1HE TYR 46 8.040 3.672 0.572 361 HE2 TYR 46 2HE TYR 46 7.269 4.551 4.675 362 HH TYR 46 HH TYR 46 9.684 3.972 2.911 363 H LYS 47 H LYS 47 4.522 0.813 4.290 364 HA LYS 47 HA LYS 47 7.248 0.147 3.924 365 1HB LYS 47 1HB LYS 47 5.424 -0.184 6.310 366 2HB LYS 47 2HB LYS 47 7.159 -0.466 6.354 367 1HG LYS 47 1HG LYS 47 5.998 2.160 5.486 368 2HG LYS 47 2HG LYS 47 6.320 1.784 7.180 369 1HD LYS 47 1HD LYS 47 8.476 1.365 5.160 370 2HD LYS 47 2HD LYS 47 8.121 3.004 5.713 371 1HE LYS 47 1HE LYS 47 8.373 2.164 8.061 372 2HE LYS 47 2HE LYS 47 8.944 0.637 7.388 373 1HZ LYS 47 1HZ LYS 47 10.376 3.037 7.803 374 2HZ LYS 47 2HZ LYS 47 10.413 2.636 6.160 375 3HZ LYS 47 3HZ LYS 47 10.956 1.525 7.314 376 H GLN 48 H GLN 48 4.430 -1.678 3.572 377 HA GLN 48 HA GLN 48 5.672 -4.221 4.238 378 1HB GLN 48 1HB GLN 48 3.235 -3.661 4.697 379 2HB GLN 48 2HB GLN 48 2.973 -3.792 2.963 380 1HG GLN 48 1HG GLN 48 2.417 -5.899 3.576 381 2HG GLN 48 2HG GLN 48 4.146 -6.129 3.324 382 1HE2 GLN 48 1HE2 GLN 48 3.893 -7.962 4.739 383 2HE2 GLN 48 2HE2 GLN 48 3.907 -7.730 6.451 384 H ALA 49 H ALA 49 4.932 -2.279 1.449 385 HA ALA 49 HA ALA 49 5.620 -4.456 -0.377 386 1HB ALA 49 1HB ALA 49 4.153 -1.922 -0.603 387 2HB ALA 49 2HB ALA 49 5.162 -2.329 -1.991 388 3HB ALA 49 3HB ALA 49 3.917 -3.453 -1.446 389 H THR 50 H THR 50 7.387 -2.557 1.448 390 HA THR 50 HA THR 50 9.469 -2.212 -0.601 391 HB THR 50 HB THR 50 10.240 -0.169 0.637 392 HG1 THR 50 1HG THR 50 7.736 -0.555 1.936 393 1HG2 THR 50 1HG2 THR 50 9.235 0.684 -1.178 394 2HG2 THR 50 2HG2 THR 50 7.887 1.050 -0.101 395 3HG2 THR 50 3HG2 THR 50 7.876 -0.432 -1.056 396 H GLU 51 H GLU 51 8.788 -2.400 2.882 397 HA GLU 51 HA GLU 51 11.498 -3.423 3.330 398 1HB GLU 51 1HB GLU 51 9.462 -2.716 5.438 399 2HB GLU 51 2HB GLU 51 11.197 -2.918 5.640 400 1HG GLU 51 1HG GLU 51 10.074 -0.780 3.871 401 2HG GLU 51 2HG GLU 51 10.243 -0.545 5.609 402 H GLY 52 H GLY 52 8.094 -4.248 3.796 403 1HA GLY 52 1HA GLY 52 7.507 -6.602 3.379 404 2HA GLY 52 2HA GLY 52 8.943 -7.035 4.294 405 HA PRO 53 HA PRO 53 5.585 -7.507 7.318 406 1HB PRO 53 1HB PRO 53 6.915 -9.338 8.817 407 2HB PRO 53 2HB PRO 53 6.017 -9.763 7.354 408 1HG PRO 53 1HG PRO 53 8.957 -9.326 7.713 409 2HG PRO 53 2HG PRO 53 8.118 -10.590 6.796 410 1HD PRO 53 1HD PRO 53 9.201 -8.409 5.614 411 2HD PRO 53 2HD PRO 53 7.743 -9.208 4.991 412 H CYS 54 H CYS 54 5.331 -6.502 9.249 413 HA CYS 54 HA CYS 54 7.024 -4.543 10.136 414 1HB CYS 54 1HB CYS 54 4.822 -4.504 10.972 415 2HB CYS 54 2HB CYS 54 4.932 -6.150 11.582 416 HG CYS 54 HG CYS 54 6.787 -5.421 13.618 417 H ASN 55 H ASN 55 9.128 -4.857 10.546 418 HA ASN 55 HA ASN 55 9.847 -6.971 12.470 419 1HB ASN 55 1HB ASN 55 11.985 -7.193 11.385 420 2HB ASN 55 2HB ASN 55 10.732 -7.320 10.154 421 1HD2 ASN 55 1HD2 ASN 55 11.241 -6.318 8.361 422 2HD2 ASN 55 2HD2 ASN 55 12.154 -4.857 8.227 423 H MET 56 H MET 56 9.093 -4.044 12.767 424 HA MET 56 HA MET 56 11.569 -2.969 13.897 425 1HB MET 56 1HB MET 56 10.084 -0.909 14.249 426 2HB MET 56 2HB MET 56 10.495 -1.339 12.594 427 1HG MET 56 1HG MET 56 8.344 -2.244 12.199 428 2HG MET 56 2HG MET 56 7.931 -2.178 13.911 429 1HE MET 56 1HE MET 56 7.158 1.057 14.903 430 2HE MET 56 2HE MET 56 8.516 -0.044 15.137 431 3HE MET 56 3HE MET 56 8.772 1.522 14.366 432 HA PRO 57 HA PRO 57 10.507 -3.786 18.075 433 1HB PRO 57 1HB PRO 57 11.487 -1.586 19.329 434 2HB PRO 57 2HB PRO 57 12.523 -2.849 18.655 435 1HG PRO 57 1HG PRO 57 11.772 -0.194 17.493 436 2HG PRO 57 2HG PRO 57 13.354 -0.995 17.523 437 1HD PRO 57 1HD PRO 57 11.756 -1.005 15.336 438 2HD PRO 57 2HD PRO 57 12.839 -2.355 15.734 439 H LYS 58 H LYS 58 8.822 -3.519 19.444 440 HA LYS 58 HA LYS 58 6.642 -1.907 18.734 441 1HB LYS 58 1HB LYS 58 6.674 -4.028 20.172 442 2HB LYS 58 2HB LYS 58 7.114 -2.976 21.511 443 1HG LYS 58 1HG LYS 58 5.058 -1.930 21.540 444 2HG LYS 58 2HG LYS 58 4.700 -2.359 19.866 445 1HD LYS 58 1HD LYS 58 4.262 -4.620 20.451 446 2HD LYS 58 2HD LYS 58 4.923 -4.397 22.072 447 1HE LYS 58 1HE LYS 58 2.437 -4.458 21.993 448 2HE LYS 58 2HE LYS 58 3.094 -2.977 22.689 449 1HZ LYS 58 1HZ LYS 58 2.838 -2.012 20.380 450 2HZ LYS 58 2HZ LYS 58 1.410 -2.293 21.240 451 3HZ LYS 58 3HZ LYS 58 1.885 -3.361 20.016 452 HA PRO 59 HA PRO 59 8.001 1.997 20.358 453 1HB PRO 59 1HB PRO 59 5.678 3.330 19.920 454 2HB PRO 59 2HB PRO 59 6.822 2.945 18.629 455 1HG PRO 59 1HG PRO 59 4.297 1.536 19.406 456 2HG PRO 59 2HG PRO 59 4.905 1.932 17.788 457 1HD PRO 59 1HD PRO 59 5.146 -0.538 18.870 458 2HD PRO 59 2HD PRO 59 6.350 0.137 17.754 459 H GLY 60 H GLY 60 7.368 3.507 22.058 460 1HA GLY 60 1HA GLY 60 6.124 2.090 24.279 461 2HA GLY 60 2HA GLY 60 7.020 3.599 24.375 462 H VAL 61 H VAL 61 4.408 2.867 25.512 463 HA VAL 61 HA VAL 61 2.179 3.796 24.276 464 HB VAL 61 HB VAL 61 1.403 4.639 26.509 465 1HG1 VAL 61 1HG1 VAL 61 1.266 2.468 27.501 466 2HG1 VAL 61 2HG1 VAL 61 1.210 2.267 25.749 467 3HG1 VAL 61 3HG1 VAL 61 2.698 1.921 26.630 468 1HG2 VAL 61 1HG2 VAL 61 4.267 4.078 27.169 469 2HG2 VAL 61 2HG2 VAL 61 3.274 5.471 27.597 470 3HG2 VAL 61 3HG2 VAL 61 3.020 3.925 28.407 471 H PHE 62 H PHE 62 4.450 5.854 26.102 472 HA PHE 62 HA PHE 62 3.329 8.306 25.791 473 1HB PHE 62 1HB PHE 62 6.273 7.962 25.287 474 2HB PHE 62 2HB PHE 62 5.447 9.253 26.155 475 HD1 PHE 62 1HD PHE 62 7.778 7.103 26.827 476 HD2 PHE 62 2HD PHE 62 3.724 7.707 27.975 477 HE1 PHE 62 1HE PHE 62 8.211 5.943 28.953 478 HE2 PHE 62 2HE PHE 62 4.151 6.548 30.103 479 HZ PHE 62 HZ PHE 62 6.396 5.665 30.595 480 H ASP 63 H ASP 63 4.952 6.418 23.333 481 HA ASP 63 HA ASP 63 4.798 8.593 21.401 482 1HB ASP 63 1HB ASP 63 6.117 5.920 21.490 483 2HB ASP 63 2HB ASP 63 5.718 6.591 19.911 484 H LEU 64 H LEU 64 2.501 8.757 21.307 485 HA LEU 64 HA LEU 64 0.861 6.555 20.550 486 1HB LEU 64 1HB LEU 64 0.251 9.485 20.226 487 2HB LEU 64 2HB LEU 64 -0.904 8.157 20.319 488 HG LEU 64 HG LEU 64 0.866 9.087 22.580 489 1HD1 LEU 64 1HD1 LEU 64 -1.593 10.129 21.568 490 2HD1 LEU 64 2HD1 LEU 64 -0.642 10.666 22.952 491 3HD1 LEU 64 3HD1 LEU 64 -1.869 9.417 23.159 492 1HD2 LEU 64 1HD2 LEU 64 -0.208 6.613 22.241 493 2HD2 LEU 64 2HD2 LEU 64 -1.499 7.436 23.117 494 3HD2 LEU 64 3HD2 LEU 64 0.124 7.359 23.804 495 H ILE 65 H ILE 65 2.778 8.860 18.823 496 HA ILE 65 HA ILE 65 1.485 8.673 16.307 497 HB ILE 65 HB ILE 65 4.331 9.412 16.991 498 1HG1 ILE 65 1HG1 ILE 65 3.211 11.700 16.188 499 2HG1 ILE 65 2HG1 ILE 65 1.757 10.894 16.766 500 1HG2 ILE 65 1HG2 ILE 65 4.004 8.567 14.651 501 2HG2 ILE 65 2HG2 ILE 65 2.898 9.915 14.392 502 3HG2 ILE 65 3HG2 ILE 65 4.592 10.225 14.770 503 1HD1 ILE 65 1HD1 ILE 65 3.407 12.393 18.296 504 2HD1 ILE 65 2HD1 ILE 65 2.335 11.135 18.913 505 3HD1 ILE 65 3HD1 ILE 65 4.033 10.774 18.604 506 H ASN 66 H ASN 66 4.427 7.108 17.574 507 HA ASN 66 HA ASN 66 4.797 5.451 15.299 508 1HB ASN 66 1HB ASN 66 5.959 5.588 18.047 509 2HB ASN 66 2HB ASN 66 6.217 4.125 17.100 510 1HD2 ASN 66 1HD2 ASN 66 6.791 7.558 17.289 511 2HD2 ASN 66 2HD2 ASN 66 8.081 7.604 16.141 512 H LYS 67 H LYS 67 3.279 4.958 18.454 513 HA LYS 67 HA LYS 67 2.790 2.218 18.274 514 1HB LYS 67 1HB LYS 67 2.437 3.840 20.253 515 2HB LYS 67 2HB LYS 67 0.851 4.130 19.552 516 1HG LYS 67 1HG LYS 67 0.639 2.475 21.258 517 2HG LYS 67 2HG LYS 67 0.403 1.693 19.693 518 1HD LYS 67 1HD LYS 67 2.508 0.664 19.764 519 2HD LYS 67 2HD LYS 67 3.089 1.743 21.034 520 1HE LYS 67 1HE LYS 67 2.478 -0.651 21.695 521 2HE LYS 67 2HE LYS 67 1.841 0.660 22.687 522 1HZ LYS 67 1HZ LYS 67 0.074 -0.833 22.303 523 2HZ LYS 67 2HZ LYS 67 0.396 -0.929 20.645 524 3HZ LYS 67 3HZ LYS 67 -0.225 0.499 21.304 525 H ALA 68 H ALA 68 0.979 4.957 16.999 526 HA ALA 68 HA ALA 68 -1.328 3.558 16.199 527 1HB ALA 68 1HB ALA 68 -0.761 6.133 16.298 528 2HB ALA 68 2HB ALA 68 -0.383 5.875 14.595 529 3HB ALA 68 3HB ALA 68 -1.995 5.503 15.206 530 H LYS 69 H LYS 69 1.741 4.181 14.568 531 HA LYS 69 HA LYS 69 0.913 3.003 12.088 532 1HB LYS 69 1HB LYS 69 3.441 4.109 13.204 533 2HB LYS 69 2HB LYS 69 3.574 2.991 11.854 534 1HG LYS 69 1HG LYS 69 3.471 4.993 10.755 535 2HG LYS 69 2HG LYS 69 1.765 4.540 10.776 536 1HD LYS 69 1HD LYS 69 1.552 5.900 12.890 537 2HD LYS 69 2HD LYS 69 3.182 6.499 12.574 538 1HE LYS 69 1HE LYS 69 2.514 7.567 10.585 539 2HE LYS 69 2HE LYS 69 0.987 6.687 10.530 540 1HZ LYS 69 1HZ LYS 69 0.403 7.880 12.641 541 2HZ LYS 69 2HZ LYS 69 0.493 8.856 11.263 542 3HZ LYS 69 3HZ LYS 69 1.757 8.863 12.388 543 H TRP 70 H TRP 70 2.987 1.967 14.781 544 HA TRP 70 HA TRP 70 3.898 -0.440 13.882 545 1HB TRP 70 1HB TRP 70 4.211 0.715 16.182 546 2HB TRP 70 2HB TRP 70 2.796 -0.214 16.670 547 HD1 TRP 70 HD TRP 70 6.398 -0.769 15.388 548 HE1 TRP 70 1HE TRP 70 7.195 -3.073 16.214 549 HE3 TRP 70 3HE TRP 70 2.056 -2.408 17.534 550 HZ2 TRP 70 2HZ TRP 70 6.124 -5.292 17.592 551 HZ3 TRP 70 3HZ TRP 70 2.027 -4.633 18.584 552 HH2 TRP 70 HH TRP 70 4.019 -6.044 18.611 553 H ASP 71 H ASP 71 0.723 0.193 15.334 554 HA ASP 71 HA ASP 71 -0.182 -2.491 15.186 555 1HB ASP 71 1HB ASP 71 -1.470 0.164 15.660 556 2HB ASP 71 2HB ASP 71 -2.497 -1.217 15.288 557 H ALA 72 H ALA 72 -0.107 0.149 12.927 558 HA ALA 72 HA ALA 72 -2.028 -0.943 11.107 559 1HB ALA 72 1HB ALA 72 -1.139 0.779 9.543 560 2HB ALA 72 2HB ALA 72 -1.669 1.423 11.097 561 3HB ALA 72 3HB ALA 72 0.051 1.211 10.771 562 H TRP 73 H TRP 73 1.527 -0.687 11.063 563 HA TRP 73 HA TRP 73 1.788 -2.288 8.711 564 1HB TRP 73 1HB TRP 73 3.448 -0.560 9.435 565 2HB TRP 73 2HB TRP 73 3.911 -1.624 10.761 566 HD1 TRP 73 HD TRP 73 3.221 -3.540 7.643 567 HE1 TRP 73 1HE TRP 73 5.431 -4.263 6.541 568 HE3 TRP 73 3HE TRP 73 6.461 -0.670 10.364 569 HZ2 TRP 73 2HZ TRP 73 8.185 -3.693 6.792 570 HZ3 TRP 73 3HZ TRP 73 8.867 -0.818 9.870 571 HH2 TRP 73 HH TRP 73 9.709 -2.299 8.122 572 H ASN 74 H ASN 74 2.065 -2.885 12.178 573 HA ASN 74 HA ASN 74 3.115 -5.471 12.084 574 1HB ASN 74 1HB ASN 74 3.010 -4.246 14.170 575 2HB ASN 74 2HB ASN 74 1.250 -4.206 14.101 576 1HD2 ASN 74 1HD2 ASN 74 1.335 -5.163 16.212 577 2HD2 ASN 74 2HD2 ASN 74 1.561 -6.868 16.375 578 H ALA 75 H ALA 75 -0.295 -4.467 12.362 579 HA ALA 75 HA ALA 75 -1.668 -6.747 12.452 580 1HB ALA 75 1HB ALA 75 -2.265 -4.183 11.634 581 2HB ALA 75 2HB ALA 75 -2.706 -5.172 10.241 582 3HB ALA 75 3HB ALA 75 -3.413 -5.510 11.821 583 H LEU 76 H LEU 76 -0.519 -5.441 9.334 584 HA LEU 76 HA LEU 76 -1.251 -7.333 7.580 585 1HB LEU 76 1HB LEU 76 1.354 -5.880 7.847 586 2HB LEU 76 2HB LEU 76 1.091 -7.020 6.529 587 HG LEU 76 HG LEU 76 0.717 -4.678 5.864 588 1HD1 LEU 76 1HD1 LEU 76 -1.037 -5.175 4.494 589 2HD1 LEU 76 2HD1 LEU 76 -1.980 -5.924 5.783 590 3HD1 LEU 76 3HD1 LEU 76 -0.631 -6.797 5.055 591 1HD2 LEU 76 1HD2 LEU 76 -0.093 -3.792 7.973 592 2HD2 LEU 76 2HD2 LEU 76 -1.537 -4.798 7.867 593 3HD2 LEU 76 3HD2 LEU 76 -1.276 -3.504 6.697 594 H GLY 77 H GLY 77 1.775 -7.585 9.464 595 1HA GLY 77 1HA GLY 77 2.634 -9.507 10.483 596 2HA GLY 77 2HA GLY 77 1.386 -10.458 9.690 597 H SER 78 H SER 78 2.344 -11.961 8.495 598 HA SER 78 HA SER 78 4.894 -11.432 7.215 599 1HB SER 78 1HB SER 78 3.180 -13.922 7.350 600 2HB SER 78 2HB SER 78 4.745 -13.840 6.540 601 HG SER 78 HG SER 78 5.729 -13.477 8.487 602 H LEU 79 H LEU 79 2.627 -9.942 6.264 603 HA LEU 79 HA LEU 79 1.577 -11.026 3.877 604 1HB LEU 79 1HB LEU 79 0.725 -9.045 5.224 605 2HB LEU 79 2HB LEU 79 1.980 -8.098 4.427 606 HG LEU 79 HG LEU 79 -0.208 -7.790 3.377 607 1HD1 LEU 79 1HD1 LEU 79 0.513 -7.964 1.150 608 2HD1 LEU 79 2HD1 LEU 79 1.529 -9.362 1.498 609 3HD1 LEU 79 3HD1 LEU 79 1.989 -7.768 2.096 610 1HD2 LEU 79 1HD2 LEU 79 -0.490 -10.235 1.976 611 2HD2 LEU 79 2HD2 LEU 79 -1.605 -9.494 3.124 612 3HD2 LEU 79 3HD2 LEU 79 -0.366 -10.613 3.694 613 HA PRO 80 HA PRO 80 5.230 -10.722 1.363 614 1HB PRO 80 1HB PRO 80 4.049 -11.478 -0.961 615 2HB PRO 80 2HB PRO 80 4.475 -12.623 0.317 616 1HG PRO 80 1HG PRO 80 1.823 -11.382 -0.309 617 2HG PRO 80 2HG PRO 80 2.199 -13.061 0.122 618 1HD PRO 80 1HD PRO 80 1.208 -11.285 1.910 619 2HD PRO 80 2HD PRO 80 2.321 -12.588 2.374 620 H LYS 81 H LYS 81 6.111 -9.180 0.072 621 HA LYS 81 HA LYS 81 5.001 -6.678 -0.186 622 1HB LYS 81 1HB LYS 81 7.094 -8.024 -1.897 623 2HB LYS 81 2HB LYS 81 6.709 -6.311 -2.003 624 1HG LYS 81 1HG LYS 81 7.661 -5.828 0.026 625 2HG LYS 81 2HG LYS 81 7.430 -7.465 0.646 626 1HD LYS 81 1HD LYS 81 9.153 -8.232 -1.009 627 2HD LYS 81 2HD LYS 81 9.469 -6.534 -1.371 628 1HE LYS 81 1HE LYS 81 10.028 -6.157 0.996 629 2HE LYS 81 2HE LYS 81 9.756 -7.868 1.320 630 1HZ LYS 81 1HZ LYS 81 12.132 -7.140 0.946 631 2HZ LYS 81 2HZ LYS 81 11.727 -6.946 -0.685 632 3HZ LYS 81 3HZ LYS 81 11.605 -8.469 0.041 633 H GLU 82 H GLU 82 5.206 -9.155 -2.744 634 HA GLU 82 HA GLU 82 3.979 -7.901 -4.814 635 1HB GLU 82 1HB GLU 82 3.296 -10.050 -5.640 636 2HB GLU 82 2HB GLU 82 4.843 -10.242 -4.826 637 1HG GLU 82 1HG GLU 82 3.373 -10.874 -2.774 638 2HG GLU 82 2HG GLU 82 2.138 -11.176 -3.995 639 H ALA 83 H ALA 83 2.364 -9.431 -2.059 640 HA ALA 83 HA ALA 83 -0.273 -8.844 -3.008 641 1HB ALA 83 1HB ALA 83 0.705 -9.697 -0.287 642 2HB ALA 83 2HB ALA 83 -0.990 -9.585 -0.763 643 3HB ALA 83 3HB ALA 83 0.076 -10.742 -1.561 644 H ALA 84 H ALA 84 1.969 -7.357 -0.723 645 HA ALA 84 HA ALA 84 0.225 -5.459 0.379 646 1HB ALA 84 1HB ALA 84 2.572 -6.109 1.145 647 2HB ALA 84 2HB ALA 84 3.152 -4.955 -0.056 648 3HB ALA 84 3HB ALA 84 2.121 -4.408 1.266 649 H ARG 85 H ARG 85 2.255 -5.360 -2.514 650 HA ARG 85 HA ARG 85 1.919 -2.656 -3.152 651 1HB ARG 85 1HB ARG 85 2.662 -5.110 -4.663 652 2HB ARG 85 2HB ARG 85 2.201 -3.691 -5.594 653 1HG ARG 85 1HG ARG 85 4.183 -3.322 -3.422 654 2HG ARG 85 2HG ARG 85 4.704 -4.166 -4.881 655 1HD ARG 85 1HD ARG 85 4.407 -2.318 -6.218 656 2HD ARG 85 2HD ARG 85 3.199 -1.608 -5.149 657 HE ARG 85 HE ARG 85 4.881 -0.565 -3.997 658 1HH1 ARG 85 2HH1 ARG 85 6.243 -3.070 -5.994 659 2HH1 ARG 85 1HH1 ARG 85 7.883 -2.603 -5.688 660 1HH2 ARG 85 2HH2 ARG 85 7.036 0.060 -3.586 661 2HH2 ARG 85 1HH2 ARG 85 8.333 -0.822 -4.318 662 H GLN 86 H GLN 86 -0.106 -5.457 -3.779 663 HA GLN 86 HA GLN 86 -1.906 -4.039 -5.514 664 1HB GLN 86 1HB GLN 86 -1.645 -6.416 -5.825 665 2HB GLN 86 2HB GLN 86 -2.102 -6.729 -4.156 666 1HG GLN 86 1HG GLN 86 -4.038 -7.241 -5.263 667 2HG GLN 86 2HG GLN 86 -4.322 -5.557 -4.828 668 1HE2 GLN 86 1HE2 GLN 86 -5.017 -4.291 -6.387 669 2HE2 GLN 86 2HE2 GLN 86 -4.822 -4.559 -8.083 670 H ASN 87 H ASN 87 -1.876 -5.029 -2.124 671 HA ASN 87 HA ASN 87 -4.495 -4.350 -1.450 672 1HB ASN 87 1HB ASN 87 -1.935 -4.485 0.116 673 2HB ASN 87 2HB ASN 87 -3.419 -3.925 0.882 674 1HD2 ASN 87 1HD2 ASN 87 -1.564 -6.586 0.068 675 2HD2 ASN 87 2HD2 ASN 87 -2.727 -7.822 0.391 676 H TYR 88 H TYR 88 -1.542 -2.373 -1.253 677 HA TYR 88 HA TYR 88 -2.625 -0.055 -0.215 678 1HB TYR 88 1HB TYR 88 -0.208 -0.431 -0.579 679 2HB TYR 88 2HB TYR 88 -0.452 -0.246 -2.312 680 HD1 TYR 88 1HD TYR 88 0.396 1.419 0.677 681 HD2 TYR 88 2HD TYR 88 -1.559 2.014 -3.055 682 HE1 TYR 88 1HE TYR 88 0.728 3.846 0.897 683 HE2 TYR 88 2HE TYR 88 -1.231 4.443 -2.845 684 HH TYR 88 HH TYR 88 0.842 5.878 -1.120 685 H VAL 89 H VAL 89 -2.182 -0.825 -3.670 686 HA VAL 89 HA VAL 89 -3.509 1.449 -4.654 687 HB VAL 89 HB VAL 89 -3.745 0.147 -6.774 688 1HG1 VAL 89 1HG1 VAL 89 -1.739 1.046 -7.101 689 2HG1 VAL 89 2HG1 VAL 89 -1.331 0.890 -5.391 690 3HG1 VAL 89 3HG1 VAL 89 -1.030 -0.451 -6.496 691 1HG2 VAL 89 1HG2 VAL 89 -2.380 -2.046 -5.216 692 2HG2 VAL 89 2HG2 VAL 89 -4.069 -2.062 -5.722 693 3HG2 VAL 89 3HG2 VAL 89 -2.787 -2.071 -6.932 694 H ASP 90 H ASP 90 -4.672 -1.796 -3.872 695 HA ASP 90 HA ASP 90 -7.222 -1.692 -4.921 696 1HB ASP 90 1HB ASP 90 -6.113 -3.653 -3.772 697 2HB ASP 90 2HB ASP 90 -6.554 -2.908 -2.238 698 H LEU 91 H LEU 91 -6.013 -0.315 -1.911 699 HA LEU 91 HA LEU 91 -8.584 0.522 -0.977 700 1HB LEU 91 1HB LEU 91 -6.708 0.090 0.539 701 2HB LEU 91 2HB LEU 91 -5.825 1.438 -0.174 702 HG LEU 91 HG LEU 91 -6.798 1.989 2.017 703 1HD1 LEU 91 1HD1 LEU 91 -7.380 4.124 1.433 704 2HD1 LEU 91 2HD1 LEU 91 -8.344 3.603 0.051 705 3HD1 LEU 91 3HD1 LEU 91 -6.583 3.593 -0.048 706 1HD2 LEU 91 1HD2 LEU 91 -8.815 0.488 1.664 707 2HD2 LEU 91 2HD2 LEU 91 -9.498 1.803 0.709 708 3HD2 LEU 91 3HD2 LEU 91 -9.117 2.055 2.413 709 H VAL 92 H VAL 92 -5.772 2.325 -2.234 710 HA VAL 92 HA VAL 92 -6.817 4.853 -2.318 711 HB VAL 92 HB VAL 92 -5.050 3.586 -4.417 712 1HG1 VAL 92 1HG1 VAL 92 -4.974 5.540 -5.472 713 2HG1 VAL 92 2HG1 VAL 92 -6.301 6.087 -4.445 714 3HG1 VAL 92 3HG1 VAL 92 -4.630 6.398 -3.971 715 1HG2 VAL 92 1HG2 VAL 92 -3.907 3.352 -2.398 716 2HG2 VAL 92 2HG2 VAL 92 -3.280 4.864 -3.055 717 3HG2 VAL 92 3HG2 VAL 92 -4.494 4.894 -1.776 718 H SER 93 H SER 93 -7.390 2.212 -4.574 719 HA SER 93 HA SER 93 -8.767 3.741 -6.524 720 1HB SER 93 1HB SER 93 -7.777 1.498 -6.957 721 2HB SER 93 2HB SER 93 -9.031 0.781 -5.945 722 HG SER 93 HG SER 93 -9.156 1.590 -8.530 723 H SER 94 H SER 94 -9.721 2.219 -3.541 724 HA SER 94 HA SER 94 -12.511 2.162 -3.981 725 1HB SER 94 1HB SER 94 -11.331 0.905 -2.174 726 2HB SER 94 2HB SER 94 -11.069 2.432 -1.332 727 HG SER 94 HG SER 94 -13.583 2.464 -1.790 728 H LEU 95 H LEU 95 -10.345 4.608 -2.648 729 HA LEU 95 HA LEU 95 -12.356 6.398 -1.783 730 1HB LEU 95 1HB LEU 95 -9.480 6.845 -2.556 731 2HB LEU 95 2HB LEU 95 -10.514 8.093 -1.864 732 HG LEU 95 HG LEU 95 -9.981 5.507 -0.430 733 1HD1 LEU 95 1HD1 LEU 95 -8.095 7.591 -1.005 734 2HD1 LEU 95 2HD1 LEU 95 -7.866 6.088 -0.112 735 3HD1 LEU 95 3HD1 LEU 95 -8.431 7.533 0.726 736 1HD2 LEU 95 1HD2 LEU 95 -11.056 6.443 1.309 737 2HD2 LEU 95 2HD2 LEU 95 -11.774 7.473 0.071 738 3HD2 LEU 95 3HD2 LEU 95 -10.386 8.044 0.998 739 H SER 96 H SER 96 -10.388 6.305 -4.746 740 HA SER 96 HA SER 96 -11.596 8.557 -5.952 741 1HB SER 96 1HB SER 96 -10.374 8.001 -7.888 742 2HB SER 96 2HB SER 96 -9.379 7.393 -6.565 743 HG SER 96 HG SER 96 -10.834 5.386 -7.060 744 HA PRO 97 HA PRO 97 -15.496 6.813 -7.106 745 1HB PRO 97 1HB PRO 97 -16.273 8.804 -8.780 746 2HB PRO 97 2HB PRO 97 -16.297 8.965 -7.020 747 1HG PRO 97 1HG PRO 97 -14.260 9.941 -8.984 748 2HG PRO 97 2HG PRO 97 -14.942 10.772 -7.574 749 1HD PRO 97 1HD PRO 97 -12.508 9.587 -7.530 750 2HD PRO 97 2HD PRO 97 -13.554 9.674 -6.098 751 H SER 98 H SER 98 -13.181 7.966 -9.512 752 HA SER 98 HA SER 98 -13.921 5.727 -11.237 753 1HB SER 98 1HB SER 98 -13.964 8.631 -12.045 754 2HB SER 98 2HB SER 98 -13.747 7.343 -13.230 755 HG SER 98 HG SER 98 -15.857 7.070 -11.436 756 H LEU 99 H LEU 99 -12.242 4.886 -12.408 757 HA LEU 99 HA LEU 99 -9.745 6.301 -12.684 758 1HB LEU 99 1HB LEU 99 -9.940 5.127 -10.333 759 2HB LEU 99 2HB LEU 99 -9.522 3.691 -11.266 760 HG LEU 99 HG LEU 99 -7.835 6.184 -11.277 761 1HD1 LEU 99 1HD1 LEU 99 -7.823 5.556 -9.012 762 2HD1 LEU 99 2HD1 LEU 99 -6.368 4.839 -9.703 763 3HD1 LEU 99 3HD1 LEU 99 -7.787 3.836 -9.403 764 1HD2 LEU 99 1HD2 LEU 99 -7.500 4.635 -13.133 765 2HD2 LEU 99 2HD2 LEU 99 -7.256 3.311 -11.994 766 3HD2 LEU 99 3HD2 LEU 99 -6.105 4.646 -12.055 767 H GLU 100 H GLU 100 -9.110 5.847 -14.677 768 HA GLU 100 HA GLU 100 -10.165 3.762 -16.237 769 1HB GLU 100 1HB GLU 100 -7.864 5.655 -16.564 770 2HB GLU 100 2HB GLU 100 -8.089 4.345 -17.715 771 1HG GLU 100 1HG GLU 100 -10.452 5.202 -18.015 772 2HG GLU 100 2HG GLU 100 -9.937 6.633 -17.124 773 H SER 101 H SER 101 -9.883 1.709 -15.563 774 HA SER 101 HA SER 101 -7.591 0.696 -14.293 775 1HB SER 101 1HB SER 101 -8.553 -1.512 -14.693 776 2HB SER 101 2HB SER 101 -9.819 -0.387 -14.199 777 HG SER 101 HG SER 101 -9.474 -1.718 -16.577 778 H SER 102 H SER 102 -5.663 0.948 -15.277 779 HA SER 102 HA SER 102 -5.389 -0.083 -18.024 780 1HB SER 102 1HB SER 102 -4.865 2.302 -17.865 781 2HB SER 102 2HB SER 102 -3.698 1.977 -16.583 782 HG SER 102 HG SER 102 -2.836 0.456 -18.379 783 H SER 103 H SER 103 -4.374 -1.958 -18.186 784 HA SER 103 HA SER 103 -2.493 -2.735 -16.058 785 1HB SER 103 1HB SER 103 -2.993 -5.054 -16.617 786 2HB SER 103 2HB SER 103 -4.494 -4.186 -16.295 787 HG SER 103 HG SER 103 -3.424 -4.636 -18.885 788 H GLN 104 H GLN 104 -0.425 -3.153 -16.550 789 HA GLN 104 HA GLN 104 0.318 -3.182 -19.401 790 1HB GLN 104 1HB GLN 104 1.038 -1.186 -17.967 791 2HB GLN 104 2HB GLN 104 2.130 -2.304 -17.161 792 1HG GLN 104 1HG GLN 104 3.530 -1.454 -18.734 793 2HG GLN 104 2HG GLN 104 2.880 -2.829 -19.624 794 1HE2 GLN 104 1HE2 GLN 104 2.082 -2.441 -21.563 795 2HE2 GLN 104 2HE2 GLN 104 1.605 -0.897 -22.174 796 H VAL 105 H VAL 105 0.356 -5.383 -19.707 797 HA VAL 105 HA VAL 105 1.227 -7.374 -18.047 798 HB VAL 105 HB VAL 105 0.212 -7.791 -20.247 799 1HG1 VAL 105 1HG1 VAL 105 1.398 -7.568 -22.285 800 2HG1 VAL 105 2HG1 VAL 105 1.605 -6.043 -21.421 801 3HG1 VAL 105 3HG1 VAL 105 2.913 -7.227 -21.448 802 1HG2 VAL 105 1HG2 VAL 105 2.087 -9.314 -18.952 803 2HG2 VAL 105 2HG2 VAL 105 1.063 -9.862 -20.280 804 3HG2 VAL 105 3HG2 VAL 105 2.696 -9.283 -20.607 805 H GLU 106 H GLU 106 3.111 -8.034 -17.223 806 HA GLU 106 HA GLU 106 5.616 -7.258 -18.500 807 1HB GLU 106 1HB GLU 106 4.833 -5.572 -16.664 808 2HB GLU 106 2HB GLU 106 5.351 -6.825 -15.545 809 1HG GLU 106 1HG GLU 106 7.590 -6.719 -16.338 810 2HG GLU 106 2HG GLU 106 7.126 -5.676 -17.681 811 HA PRO 107 HA PRO 107 6.669 -11.387 -17.376 812 1HB PRO 107 1HB PRO 107 9.358 -11.218 -17.709 813 2HB PRO 107 2HB PRO 107 8.225 -11.282 -19.063 814 1HG PRO 107 1HG PRO 107 9.583 -8.911 -17.841 815 2HG PRO 107 2HG PRO 107 9.330 -9.295 -19.553 816 1HD PRO 107 1HD PRO 107 7.775 -7.530 -18.211 817 2HD PRO 107 2HD PRO 107 7.152 -8.542 -19.530 818 H GLY 108 H GLY 108 7.613 -12.582 -15.693 819 1HA GLY 108 1HA GLY 108 9.403 -12.209 -13.832 820 2HA GLY 108 2HA GLY 108 8.262 -10.971 -13.327 821 H THR 109 H THR 109 7.885 -11.974 -11.340 822 HA THR 109 HA THR 109 7.087 -13.557 -9.870 823 HB THR 109 HB THR 109 4.717 -14.204 -10.375 824 HG1 THR 109 1HG THR 109 3.975 -12.840 -12.328 825 1HG2 THR 109 1HG2 THR 109 4.438 -11.425 -10.959 826 2HG2 THR 109 2HG2 THR 109 5.815 -11.639 -9.878 827 3HG2 THR 109 3HG2 THR 109 4.228 -12.254 -9.418 828 H ASP 110 H ASP 110 8.921 -14.746 -11.612 829 HA ASP 110 HA ASP 110 8.289 -16.918 -13.086 830 1HB ASP 110 1HB ASP 110 10.356 -18.019 -12.125 831 2HB ASP 110 2HB ASP 110 10.588 -16.391 -12.758 832 H SER 111 H SER 111 8.770 -17.107 -9.554 833 HA SER 111 HA SER 111 6.490 -18.727 -9.123 834 1HB SER 111 1HB SER 111 7.436 -20.871 -8.754 835 2HB SER 111 2HB SER 111 8.093 -20.334 -10.300 836 HG SER 111 HG SER 111 9.984 -20.575 -9.445 837 H GLY 112 H GLY 112 6.559 -19.718 -6.851 838 1HA GLY 112 1HA GLY 112 7.886 -17.765 -5.091 839 2HA GLY 112 2HA GLY 112 6.426 -18.659 -4.694 840 HA PRO 113 HA PRO 113 10.398 -21.443 -4.143 841 1HB PRO 113 1HB PRO 113 12.517 -20.014 -3.230 842 2HB PRO 113 2HB PRO 113 12.240 -20.331 -4.947 843 1HG PRO 113 1HG PRO 113 11.618 -17.877 -3.349 844 2HG PRO 113 2HG PRO 113 12.322 -18.007 -4.971 845 1HD PRO 113 1HD PRO 113 9.710 -17.424 -4.558 846 2HD PRO 113 2HD PRO 113 10.272 -18.342 -5.970 847 H SER 114 H SER 114 8.976 -18.989 -2.298 848 HA SER 114 HA SER 114 10.087 -19.654 0.251 849 1HB SER 114 1HB SER 114 8.433 -18.161 1.170 850 2HB SER 114 2HB SER 114 9.048 -17.438 -0.317 851 HG SER 114 HG SER 114 6.642 -18.928 -0.076 852 H SER 115 H SER 115 9.466 -21.151 1.687 853 HA SER 115 HA SER 115 6.856 -22.425 1.442 854 1HB SER 115 1HB SER 115 7.909 -24.701 1.565 855 2HB SER 115 2HB SER 115 8.201 -23.857 0.045 856 HG SER 115 HG SER 115 9.989 -24.101 2.236 857 H GLY 116 H GLY 116 6.372 -23.843 3.305 858 1HA GLY 116 1HA GLY 116 7.841 -24.195 5.582 859 2HA GLY 116 2HA GLY 116 7.202 -22.565 5.740 Start of MODEL 20 1 1H GLY 1 H GLY 1 -13.962 1.803 -11.015 2 1HA GLY 1 1HA GLY 1 -14.627 1.676 -13.830 3 2HA GLY 1 2HA GLY 1 -13.652 0.522 -12.932 4 H SER 2 H SER 2 -14.558 -1.339 -12.242 5 HA SER 2 HA SER 2 -16.934 -2.254 -13.363 6 1HB SER 2 1HB SER 2 -15.020 -3.629 -12.383 7 2HB SER 2 2HB SER 2 -15.761 -3.353 -10.807 8 HG SER 2 HG SER 2 -17.071 -4.530 -13.034 9 H SER 3 H SER 3 -18.991 -1.869 -12.910 10 HA SER 3 HA SER 3 -19.847 -1.442 -10.165 11 1HB SER 3 1HB SER 3 -20.877 0.674 -10.526 12 2HB SER 3 2HB SER 3 -19.240 0.821 -11.165 13 HG SER 3 HG SER 3 -20.204 0.305 -13.255 14 H GLY 4 H GLY 4 -21.454 -2.843 -9.929 15 1HA GLY 4 1HA GLY 4 -23.588 -3.709 -10.258 16 2HA GLY 4 2HA GLY 4 -23.703 -2.787 -11.750 17 H SER 5 H SER 5 -22.478 -5.734 -10.285 18 HA SER 5 HA SER 5 -22.680 -7.053 -12.880 19 1HB SER 5 1HB SER 5 -20.190 -7.172 -11.161 20 2HB SER 5 2HB SER 5 -20.481 -8.149 -12.600 21 HG SER 5 HG SER 5 -19.852 -6.525 -13.758 22 H SER 6 H SER 6 -22.154 -9.513 -12.514 23 HA SER 6 HA SER 6 -22.830 -10.528 -9.907 24 1HB SER 6 1HB SER 6 -24.901 -11.660 -10.599 25 2HB SER 6 2HB SER 6 -25.061 -9.909 -10.739 26 HG SER 6 HG SER 6 -24.330 -11.573 -12.912 27 H GLY 7 H GLY 7 -23.012 -12.960 -9.952 28 1HA GLY 7 1HA GLY 7 -21.979 -14.958 -10.415 29 2HA GLY 7 2HA GLY 7 -22.312 -14.564 -12.095 30 H MET 8 H MET 8 -20.040 -13.575 -9.527 31 HA MET 8 HA MET 8 -17.959 -13.215 -11.535 32 1HB MET 8 1HB MET 8 -17.918 -12.695 -8.557 33 2HB MET 8 2HB MET 8 -16.638 -12.271 -9.685 34 1HG MET 8 1HG MET 8 -19.409 -11.233 -10.087 35 2HG MET 8 2HG MET 8 -18.325 -10.469 -8.928 36 1HE MET 8 1HE MET 8 -16.465 -8.059 -10.918 37 2HE MET 8 2HE MET 8 -17.391 -8.478 -9.477 38 3HE MET 8 3HE MET 8 -15.851 -9.276 -9.799 39 H ASN 9 H ASN 9 -16.911 -14.997 -12.136 40 HA ASN 9 HA ASN 9 -16.394 -17.095 -10.155 41 1HB ASN 9 1HB ASN 9 -15.814 -17.339 -13.094 42 2HB ASN 9 2HB ASN 9 -16.170 -18.611 -11.929 43 1HD2 ASN 9 1HD2 ASN 9 -18.334 -18.838 -11.181 44 2HD2 ASN 9 2HD2 ASN 9 -19.656 -18.298 -12.155 45 H ARG 10 H ARG 10 -14.474 -17.182 -9.213 46 HA ARG 10 HA ARG 10 -12.331 -16.458 -8.702 47 1HB ARG 10 1HB ARG 10 -10.699 -17.602 -10.128 48 2HB ARG 10 2HB ARG 10 -12.071 -18.643 -9.772 49 1HG ARG 10 1HG ARG 10 -12.985 -17.768 -12.042 50 2HG ARG 10 2HG ARG 10 -11.299 -17.344 -12.342 51 1HD ARG 10 1HD ARG 10 -10.683 -19.698 -11.809 52 2HD ARG 10 2HD ARG 10 -12.403 -20.074 -11.703 53 HE ARG 10 HE ARG 10 -12.457 -20.163 -13.978 54 1HH1 ARG 10 2HH1 ARG 10 -9.693 -18.279 -13.012 55 2HH1 ARG 10 1HH1 ARG 10 -9.093 -18.092 -14.626 56 1HH2 ARG 10 2HH2 ARG 10 -11.677 -19.924 -16.107 57 2HH2 ARG 10 1HH2 ARG 10 -10.222 -19.027 -16.386 58 H THR 11 H THR 11 -13.537 -14.238 -9.598 59 HA THR 11 HA THR 11 -11.827 -13.097 -11.689 60 HB THR 11 HB THR 11 -14.331 -11.974 -10.416 61 HG1 THR 11 1HG THR 11 -14.736 -13.750 -11.801 62 1HG2 THR 11 1HG2 THR 11 -13.738 -10.765 -12.906 63 2HG2 THR 11 2HG2 THR 11 -12.269 -10.707 -11.931 64 3HG2 THR 11 3HG2 THR 11 -13.767 -10.015 -11.311 65 H ALA 12 H ALA 12 -10.020 -12.174 -10.984 66 HA ALA 12 HA ALA 12 -10.178 -10.359 -8.685 67 1HB ALA 12 1HB ALA 12 -7.679 -11.373 -8.360 68 2HB ALA 12 2HB ALA 12 -9.102 -11.901 -7.461 69 3HB ALA 12 3HB ALA 12 -8.570 -12.803 -8.880 70 H MET 13 H MET 13 -8.538 -8.723 -8.648 71 HA MET 13 HA MET 13 -7.333 -8.250 -11.295 72 1HB MET 13 1HB MET 13 -9.098 -6.641 -10.768 73 2HB MET 13 2HB MET 13 -8.293 -6.232 -9.259 74 1HG MET 13 1HG MET 13 -7.785 -4.509 -10.779 75 2HG MET 13 2HG MET 13 -6.327 -5.488 -10.629 76 1HE MET 13 1HE MET 13 -7.305 -3.322 -12.895 77 2HE MET 13 2HE MET 13 -7.828 -4.045 -14.416 78 3HE MET 13 3HE MET 13 -8.936 -3.976 -13.045 79 H ARG 14 H ARG 14 -5.187 -8.055 -11.403 80 HA ARG 14 HA ARG 14 -3.686 -7.976 -8.883 81 1HB ARG 14 1HB ARG 14 -2.844 -9.800 -9.975 82 2HB ARG 14 2HB ARG 14 -3.194 -9.143 -11.568 83 1HG ARG 14 1HG ARG 14 -0.831 -9.274 -11.327 84 2HG ARG 14 2HG ARG 14 -1.287 -7.570 -11.264 85 1HD ARG 14 1HD ARG 14 -1.076 -7.543 -8.873 86 2HD ARG 14 2HD ARG 14 -0.821 -9.288 -8.832 87 HE ARG 14 HE ARG 14 1.149 -7.303 -9.282 88 1HH1 ARG 14 2HH1 ARG 14 0.191 -10.500 -10.271 89 2HH1 ARG 14 1HH1 ARG 14 1.799 -10.996 -10.684 90 1HH2 ARG 14 2HH2 ARG 14 3.270 -7.943 -9.821 91 2HH2 ARG 14 1HH2 ARG 14 3.550 -9.541 -10.426 92 H ALA 15 H ALA 15 -2.472 -6.274 -8.342 93 HA ALA 15 HA ALA 15 -2.310 -4.046 -10.235 94 1HB ALA 15 1HB ALA 15 -3.046 -3.014 -8.381 95 2HB ALA 15 2HB ALA 15 -2.446 -4.282 -7.312 96 3HB ALA 15 3HB ALA 15 -1.346 -3.040 -7.910 97 H SER 16 H SER 16 -0.405 -3.166 -10.915 98 HA SER 16 HA SER 16 2.026 -4.682 -10.244 99 1HB SER 16 1HB SER 16 1.128 -4.533 -12.671 100 2HB SER 16 2HB SER 16 1.755 -2.885 -12.642 101 HG SER 16 HG SER 16 3.416 -4.090 -13.379 102 H GLN 17 H GLN 17 4.049 -3.488 -10.137 103 HA GLN 17 HA GLN 17 4.146 -1.498 -8.303 104 1HB GLN 17 1HB GLN 17 6.041 -2.824 -9.586 105 2HB GLN 17 2HB GLN 17 6.124 -1.345 -10.533 106 1HG GLN 17 1HG GLN 17 6.153 -1.082 -7.584 107 2HG GLN 17 2HG GLN 17 7.593 -1.734 -8.364 108 1HE2 GLN 17 1HE2 GLN 17 6.208 1.013 -7.280 109 2HE2 GLN 17 2HE2 GLN 17 7.022 2.171 -8.269 110 H LYS 18 H LYS 18 4.231 -0.965 -11.826 111 HA LYS 18 HA LYS 18 4.319 1.779 -11.883 112 1HB LYS 18 1HB LYS 18 4.427 0.336 -13.882 113 2HB LYS 18 2HB LYS 18 2.708 -0.002 -13.722 114 1HG LYS 18 1HG LYS 18 2.768 1.637 -15.349 115 2HG LYS 18 2HG LYS 18 2.418 2.555 -13.883 116 1HD LYS 18 1HD LYS 18 4.608 3.380 -13.743 117 2HD LYS 18 2HD LYS 18 5.231 2.161 -14.857 118 1HE LYS 18 1HE LYS 18 5.139 4.241 -16.026 119 2HE LYS 18 2HE LYS 18 3.853 3.212 -16.655 120 1HZ LYS 18 1HZ LYS 18 2.396 4.775 -16.141 121 2HZ LYS 18 2HZ LYS 18 3.631 5.767 -15.549 122 3HZ LYS 18 3HZ LYS 18 2.835 4.697 -14.509 123 H ASP 19 H ASP 19 1.410 -0.258 -11.693 124 HA ASP 19 HA ASP 19 -0.475 1.807 -11.659 125 1HB ASP 19 1HB ASP 19 -0.462 -1.036 -10.737 126 2HB ASP 19 2HB ASP 19 -1.807 0.000 -10.268 127 H PHE 20 H PHE 20 1.499 0.441 -9.111 128 HA PHE 20 HA PHE 20 0.126 1.534 -6.907 129 1HB PHE 20 1HB PHE 20 1.811 -0.257 -6.705 130 2HB PHE 20 2HB PHE 20 3.070 0.885 -7.163 131 HD1 PHE 20 1HD PHE 20 3.596 2.797 -5.651 132 HD2 PHE 20 2HD PHE 20 1.022 -0.389 -4.492 133 HE1 PHE 20 1HE PHE 20 3.884 3.427 -3.290 134 HE2 PHE 20 2HE PHE 20 1.305 0.237 -2.130 135 HZ PHE 20 HZ PHE 20 2.737 2.148 -1.526 136 H GLU 21 H GLU 21 3.123 2.668 -8.480 137 HA GLU 21 HA GLU 21 3.591 4.975 -7.140 138 1HB GLU 21 1HB GLU 21 3.953 4.195 -9.992 139 2HB GLU 21 2HB GLU 21 4.197 5.883 -9.566 140 1HG GLU 21 1HG GLU 21 5.697 4.840 -7.674 141 2HG GLU 21 2HG GLU 21 5.770 3.485 -8.799 142 H ASN 22 H ASN 22 1.083 4.431 -9.538 143 HA ASN 22 HA ASN 22 0.282 7.178 -9.685 144 1HB ASN 22 1HB ASN 22 -0.932 4.595 -10.649 145 2HB ASN 22 2HB ASN 22 -1.784 6.129 -10.804 146 1HD2 ASN 22 1HD2 ASN 22 0.205 4.018 -12.339 147 2HD2 ASN 22 2HD2 ASN 22 0.898 5.076 -13.515 148 H SER 23 H SER 23 -0.971 4.281 -8.064 149 HA SER 23 HA SER 23 -3.265 5.403 -6.946 150 1HB SER 23 1HB SER 23 -1.481 3.175 -5.946 151 2HB SER 23 2HB SER 23 -3.033 3.581 -5.214 152 HG SER 23 HG SER 23 -2.474 2.350 -7.640 153 H MET 24 H MET 24 -0.031 5.043 -5.492 154 HA MET 24 HA MET 24 -0.569 6.296 -3.066 155 1HB MET 24 1HB MET 24 1.893 6.750 -2.993 156 2HB MET 24 2HB MET 24 1.474 5.079 -3.344 157 1HG MET 24 1HG MET 24 2.256 5.179 -5.476 158 2HG MET 24 2HG MET 24 1.917 6.900 -5.638 159 1HE MET 24 1HE MET 24 4.951 8.604 -5.301 160 2HE MET 24 2HE MET 24 4.838 7.478 -6.654 161 3HE MET 24 3HE MET 24 3.390 8.296 -6.064 162 H ASN 25 H ASN 25 0.258 7.658 -6.199 163 HA ASN 25 HA ASN 25 0.786 10.290 -5.367 164 1HB ASN 25 1HB ASN 25 1.303 9.336 -7.628 165 2HB ASN 25 2HB ASN 25 -0.413 9.441 -8.010 166 1HD2 ASN 25 1HD2 ASN 25 0.418 10.786 -9.771 167 2HD2 ASN 25 2HD2 ASN 25 0.670 12.469 -9.475 168 H GLN 26 H GLN 26 -2.215 8.801 -6.564 169 HA GLN 26 HA GLN 26 -3.877 10.997 -6.512 170 1HB GLN 26 1HB GLN 26 -4.606 8.171 -5.723 171 2HB GLN 26 2HB GLN 26 -5.734 9.424 -6.222 172 1HG GLN 26 1HG GLN 26 -4.604 9.497 -8.424 173 2HG GLN 26 2HG GLN 26 -3.601 8.142 -7.910 174 1HE2 GLN 26 1HE2 GLN 26 -6.895 9.159 -8.570 175 2HE2 GLN 26 2HE2 GLN 26 -7.513 7.583 -8.913 176 H VAL 27 H VAL 27 -3.054 8.817 -3.840 177 HA VAL 27 HA VAL 27 -4.740 10.018 -1.919 178 HB VAL 27 HB VAL 27 -2.193 8.442 -1.525 179 1HG1 VAL 27 1HG1 VAL 27 -3.617 8.047 0.733 180 2HG1 VAL 27 2HG1 VAL 27 -2.358 9.273 0.566 181 3HG1 VAL 27 3HG1 VAL 27 -4.053 9.717 0.370 182 1HG2 VAL 27 1HG2 VAL 27 -4.582 7.071 -0.768 183 2HG2 VAL 27 2HG2 VAL 27 -4.754 7.665 -2.420 184 3HG2 VAL 27 3HG2 VAL 27 -3.391 6.631 -1.992 185 H LYS 28 H LYS 28 -1.744 10.981 -3.277 186 HA LYS 28 HA LYS 28 -1.096 12.768 -1.068 187 1HB LYS 28 1HB LYS 28 0.297 12.122 -3.666 188 2HB LYS 28 2HB LYS 28 0.858 13.378 -2.570 189 1HG LYS 28 1HG LYS 28 0.813 11.473 -0.798 190 2HG LYS 28 2HG LYS 28 0.851 10.417 -2.213 191 1HD LYS 28 1HD LYS 28 2.827 12.641 -1.719 192 2HD LYS 28 2HD LYS 28 3.098 10.961 -1.248 193 1HE LYS 28 1HE LYS 28 2.902 10.263 -3.571 194 2HE LYS 28 2HE LYS 28 2.568 11.924 -4.058 195 1HZ LYS 28 1HZ LYS 28 4.820 12.427 -2.984 196 2HZ LYS 28 2HZ LYS 28 4.813 11.661 -4.492 197 3HZ LYS 28 3HZ LYS 28 5.100 10.762 -3.088 198 H LEU 29 H LEU 29 -2.691 12.819 -4.111 199 HA LEU 29 HA LEU 29 -2.366 15.591 -4.685 200 1HB LEU 29 1HB LEU 29 -4.047 13.369 -5.702 201 2HB LEU 29 2HB LEU 29 -4.592 15.014 -6.025 202 HG LEU 29 HG LEU 29 -2.880 15.442 -7.483 203 1HD1 LEU 29 1HD1 LEU 29 -0.803 13.818 -7.431 204 2HD1 LEU 29 2HD1 LEU 29 -1.323 13.588 -5.761 205 3HD1 LEU 29 3HD1 LEU 29 -0.919 15.203 -6.344 206 1HD2 LEU 29 1HD2 LEU 29 -2.805 12.468 -7.807 207 2HD2 LEU 29 2HD2 LEU 29 -2.831 13.726 -9.042 208 3HD2 LEU 29 3HD2 LEU 29 -4.289 13.368 -8.116 209 H LEU 30 H LEU 30 -5.007 13.693 -3.246 210 HA LEU 30 HA LEU 30 -6.769 15.821 -2.800 211 1HB LEU 30 1HB LEU 30 -7.944 14.372 -1.328 212 2HB LEU 30 2HB LEU 30 -7.322 13.398 -2.659 213 HG LEU 30 HG LEU 30 -5.386 12.843 -1.030 214 1HD1 LEU 30 1HD1 LEU 30 -7.122 12.959 1.248 215 2HD1 LEU 30 2HD1 LEU 30 -6.873 14.577 0.593 216 3HD1 LEU 30 3HD1 LEU 30 -5.487 13.590 1.054 217 1HD2 LEU 30 1HD2 LEU 30 -8.085 11.755 -1.309 218 2HD2 LEU 30 2HD2 LEU 30 -7.269 11.274 0.179 219 3HD2 LEU 30 3HD2 LEU 30 -6.520 10.946 -1.384 220 H LYS 31 H LYS 31 -6.851 17.404 -1.334 221 HA LYS 31 HA LYS 31 -4.727 17.525 0.674 222 1HB LYS 31 1HB LYS 31 -4.863 19.808 0.568 223 2HB LYS 31 2HB LYS 31 -5.445 19.413 -1.044 224 1HG LYS 31 1HG LYS 31 -7.251 19.896 1.313 225 2HG LYS 31 2HG LYS 31 -6.776 21.144 0.159 226 1HD LYS 31 1HD LYS 31 -7.822 19.949 -1.646 227 2HD LYS 31 2HD LYS 31 -8.155 18.570 -0.596 228 1HE LYS 31 1HE LYS 31 -10.187 19.759 -0.775 229 2HE LYS 31 2HE LYS 31 -9.538 20.145 0.817 230 1HZ LYS 31 1HZ LYS 31 -9.286 21.860 -1.595 231 2HZ LYS 31 2HZ LYS 31 -8.718 22.234 -0.046 232 3HZ LYS 31 3HZ LYS 31 -10.381 22.109 -0.329 233 H LYS 32 H LYS 32 -7.800 16.420 0.517 234 HA LYS 32 HA LYS 32 -8.721 17.457 3.070 235 1HB LYS 32 1HB LYS 32 -10.493 17.217 1.568 236 2HB LYS 32 2HB LYS 32 -9.898 15.678 0.961 237 1HG LYS 32 1HG LYS 32 -10.826 14.485 2.665 238 2HG LYS 32 2HG LYS 32 -10.721 15.826 3.809 239 1HD LYS 32 1HD LYS 32 -12.984 15.771 3.430 240 2HD LYS 32 2HD LYS 32 -12.478 16.922 2.191 241 1HE LYS 32 1HE LYS 32 -12.627 15.301 0.485 242 2HE LYS 32 2HE LYS 32 -12.714 13.976 1.644 243 1HZ LYS 32 1HZ LYS 32 -14.847 15.534 2.283 244 2HZ LYS 32 2HZ LYS 32 -14.903 14.114 1.366 245 3HZ LYS 32 3HZ LYS 32 -14.814 15.617 0.594 246 H ASP 33 H ASP 33 -9.097 16.192 4.913 247 HA ASP 33 HA ASP 33 -7.392 13.810 5.074 248 1HB ASP 33 1HB ASP 33 -8.505 15.610 7.234 249 2HB ASP 33 2HB ASP 33 -7.555 14.160 7.545 250 HA PRO 34 HA PRO 34 -11.251 11.524 5.042 251 1HB PRO 34 1HB PRO 34 -10.075 9.079 4.936 252 2HB PRO 34 2HB PRO 34 -10.253 10.122 3.520 253 1HG PRO 34 1HG PRO 34 -7.864 9.703 5.274 254 2HG PRO 34 2HG PRO 34 -7.949 9.811 3.506 255 1HD PRO 34 1HD PRO 34 -7.168 11.889 5.057 256 2HD PRO 34 2HD PRO 34 -8.038 12.114 3.526 257 H GLY 35 H GLY 35 -8.462 10.396 6.973 258 1HA GLY 35 1HA GLY 35 -9.414 10.707 9.487 259 2HA GLY 35 2HA GLY 35 -10.204 9.228 8.961 260 H ASN 36 H ASN 36 -7.934 10.039 10.924 261 HA ASN 36 HA ASN 36 -5.499 9.026 10.239 262 1HB ASN 36 1HB ASN 36 -7.032 8.956 12.818 263 2HB ASN 36 2HB ASN 36 -5.456 8.179 12.709 264 1HD2 ASN 36 1HD2 ASN 36 -3.630 9.478 12.174 265 2HD2 ASN 36 2HD2 ASN 36 -3.629 11.168 12.531 266 H GLU 37 H GLU 37 -8.451 7.293 10.537 267 HA GLU 37 HA GLU 37 -7.481 4.711 11.077 268 1HB GLU 37 1HB GLU 37 -9.604 3.906 10.271 269 2HB GLU 37 2HB GLU 37 -9.872 5.383 11.185 270 1HG GLU 37 1HG GLU 37 -9.842 6.586 8.945 271 2HG GLU 37 2HG GLU 37 -9.972 4.986 8.216 272 H VAL 38 H VAL 38 -8.123 6.356 7.995 273 HA VAL 38 HA VAL 38 -7.117 4.137 6.451 274 HB VAL 38 HB VAL 38 -8.850 5.363 5.404 275 1HG1 VAL 38 1HG1 VAL 38 -8.874 7.417 6.548 276 2HG1 VAL 38 2HG1 VAL 38 -7.217 7.795 6.073 277 3HG1 VAL 38 3HG1 VAL 38 -8.509 7.829 4.873 278 1HG2 VAL 38 1HG2 VAL 38 -6.875 4.678 3.992 279 2HG2 VAL 38 2HG2 VAL 38 -7.894 5.948 3.313 280 3HG2 VAL 38 3HG2 VAL 38 -6.349 6.360 4.057 281 H LYS 39 H LYS 39 -5.981 7.329 7.438 282 HA LYS 39 HA LYS 39 -3.711 7.567 5.877 283 1HB LYS 39 1HB LYS 39 -4.526 8.581 8.551 284 2HB LYS 39 2HB LYS 39 -2.825 8.714 8.126 285 1HG LYS 39 1HG LYS 39 -3.617 10.725 7.386 286 2HG LYS 39 2HG LYS 39 -3.765 9.755 5.919 287 1HD LYS 39 1HD LYS 39 -5.849 10.682 5.958 288 2HD LYS 39 2HD LYS 39 -6.159 9.250 6.942 289 1HE LYS 39 1HE LYS 39 -7.090 11.304 7.936 290 2HE LYS 39 2HE LYS 39 -5.883 10.539 8.969 291 1HZ LYS 39 1HZ LYS 39 -4.632 12.353 8.904 292 2HZ LYS 39 2HZ LYS 39 -5.914 13.156 8.147 293 3HZ LYS 39 3HZ LYS 39 -4.696 12.441 7.215 294 H LEU 40 H LEU 40 -4.370 5.308 8.352 295 HA LEU 40 HA LEU 40 -1.554 4.704 8.814 296 1HB LEU 40 1HB LEU 40 -4.114 3.692 10.017 297 2HB LEU 40 2HB LEU 40 -2.558 2.934 10.346 298 HG LEU 40 HG LEU 40 -2.956 5.856 10.865 299 1HD1 LEU 40 1HD1 LEU 40 -4.676 5.242 12.207 300 2HD1 LEU 40 2HD1 LEU 40 -3.350 4.859 13.304 301 3HD1 LEU 40 3HD1 LEU 40 -4.112 3.578 12.361 302 1HD2 LEU 40 1HD2 LEU 40 -1.405 4.523 12.810 303 2HD2 LEU 40 2HD2 LEU 40 -0.865 5.664 11.578 304 3HD2 LEU 40 3HD2 LEU 40 -0.880 3.934 11.232 305 H LYS 41 H LYS 41 -4.460 3.205 7.460 306 HA LYS 41 HA LYS 41 -3.351 0.705 6.845 307 1HB LYS 41 1HB LYS 41 -5.314 0.269 5.744 308 2HB LYS 41 2HB LYS 41 -5.825 1.632 6.730 309 1HG LYS 41 1HG LYS 41 -5.241 3.093 4.732 310 2HG LYS 41 2HG LYS 41 -5.157 1.592 3.806 311 1HD LYS 41 1HD LYS 41 -7.555 2.449 5.421 312 2HD LYS 41 2HD LYS 41 -7.367 2.758 3.693 313 1HE LYS 41 1HE LYS 41 -7.595 0.106 5.096 314 2HE LYS 41 2HE LYS 41 -8.683 0.797 3.893 315 1HZ LYS 41 1HZ LYS 41 -6.208 -0.646 3.527 316 2HZ LYS 41 2HZ LYS 41 -6.352 0.738 2.565 317 3HZ LYS 41 3HZ LYS 41 -7.527 -0.476 2.482 318 H LEU 42 H LEU 42 -3.349 3.755 5.091 319 HA LEU 42 HA LEU 42 -2.312 2.728 2.658 320 1HB LEU 42 1HB LEU 42 -2.675 5.409 3.872 321 2HB LEU 42 2HB LEU 42 -1.524 5.269 2.545 322 HG LEU 42 HG LEU 42 -3.685 6.003 1.728 323 1HD1 LEU 42 1HD1 LEU 42 -3.892 4.516 -0.073 324 2HD1 LEU 42 2HD1 LEU 42 -3.364 3.137 0.891 325 3HD1 LEU 42 3HD1 LEU 42 -2.207 4.386 0.432 326 1HD2 LEU 42 1HD2 LEU 42 -5.690 4.880 2.060 327 2HD2 LEU 42 2HD2 LEU 42 -4.907 4.768 3.637 328 3HD2 LEU 42 3HD2 LEU 42 -4.889 3.384 2.542 329 H TYR 43 H TYR 43 -0.872 3.715 5.665 330 HA TYR 43 HA TYR 43 1.811 3.780 4.560 331 1HB TYR 43 1HB TYR 43 1.778 5.332 6.231 332 2HB TYR 43 2HB TYR 43 0.548 4.473 7.152 333 HD1 TYR 43 1HD TYR 43 4.149 4.743 6.465 334 HD2 TYR 43 2HD TYR 43 1.156 2.835 8.811 335 HE1 TYR 43 1HE TYR 43 5.887 3.910 7.993 336 HE2 TYR 43 2HE TYR 43 2.885 1.997 10.346 337 HH TYR 43 HH TYR 43 6.289 2.340 9.642 338 H ALA 44 H ALA 44 -0.247 1.633 6.395 339 HA ALA 44 HA ALA 44 1.660 -0.143 7.397 340 1HB ALA 44 1HB ALA 44 -0.374 -0.594 8.298 341 2HB ALA 44 2HB ALA 44 -1.236 -0.287 6.789 342 3HB ALA 44 3HB ALA 44 -0.379 -1.811 7.021 343 H LEU 45 H LEU 45 -0.083 -0.189 4.299 344 HA LEU 45 HA LEU 45 1.165 -2.564 3.358 345 1HB LEU 45 1HB LEU 45 -0.379 -0.365 2.019 346 2HB LEU 45 2HB LEU 45 0.320 -1.700 1.106 347 HG LEU 45 HG LEU 45 -1.852 -2.406 1.393 348 1HD1 LEU 45 1HD1 LEU 45 -0.741 -3.485 3.959 349 2HD1 LEU 45 2HD1 LEU 45 -0.091 -3.975 2.395 350 3HD1 LEU 45 3HD1 LEU 45 -1.785 -4.278 2.780 351 1HD2 LEU 45 1HD2 LEU 45 -2.491 -0.517 2.861 352 2HD2 LEU 45 2HD2 LEU 45 -1.821 -1.397 4.235 353 3HD2 LEU 45 3HD2 LEU 45 -3.203 -2.053 3.356 354 H TYR 46 H TYR 46 1.718 0.887 2.728 355 HA TYR 46 HA TYR 46 3.639 0.834 0.811 356 1HB TYR 46 1HB TYR 46 2.930 2.947 1.624 357 2HB TYR 46 2HB TYR 46 3.435 2.571 3.268 358 HD1 TYR 46 1HD TYR 46 4.899 2.894 -0.158 359 HD2 TYR 46 2HD TYR 46 5.420 3.475 4.025 360 HE1 TYR 46 1HE TYR 46 7.066 3.976 -0.584 361 HE2 TYR 46 2HE TYR 46 7.588 4.559 3.610 362 HH TYR 46 HH TYR 46 9.379 4.365 1.558 363 H LYS 47 H LYS 47 4.356 0.694 4.304 364 HA LYS 47 HA LYS 47 7.096 0.103 3.970 365 1HB LYS 47 1HB LYS 47 5.293 -0.464 6.331 366 2HB LYS 47 2HB LYS 47 7.052 -0.492 6.360 367 1HG LYS 47 1HG LYS 47 5.524 1.964 5.570 368 2HG LYS 47 2HG LYS 47 5.887 1.586 7.255 369 1HD LYS 47 1HD LYS 47 8.093 1.540 5.245 370 2HD LYS 47 2HD LYS 47 7.504 3.094 5.840 371 1HE LYS 47 1HE LYS 47 7.951 2.405 8.130 372 2HE LYS 47 2HE LYS 47 8.480 0.820 7.567 373 1HZ LYS 47 1HZ LYS 47 10.010 3.127 7.860 374 2HZ LYS 47 2HZ LYS 47 9.919 2.812 6.200 375 3HZ LYS 47 3HZ LYS 47 10.503 1.625 7.255 376 H GLN 48 H GLN 48 4.316 -1.811 3.593 377 HA GLN 48 HA GLN 48 5.623 -4.327 4.187 378 1HB GLN 48 1HB GLN 48 3.117 -3.749 4.507 379 2HB GLN 48 2HB GLN 48 2.984 -4.051 2.779 380 1HG GLN 48 1HG GLN 48 2.451 -6.106 3.606 381 2HG GLN 48 2HG GLN 48 4.190 -6.291 3.388 382 1HE2 GLN 48 1HE2 GLN 48 4.169 -7.952 4.950 383 2HE2 GLN 48 2HE2 GLN 48 4.086 -7.590 6.637 384 H ALA 49 H ALA 49 4.755 -2.405 1.387 385 HA ALA 49 HA ALA 49 5.736 -4.490 -0.418 386 1HB ALA 49 1HB ALA 49 3.999 -2.109 -0.721 387 2HB ALA 49 2HB ALA 49 4.981 -2.579 -2.110 388 3HB ALA 49 3HB ALA 49 3.840 -3.726 -1.407 389 H THR 50 H THR 50 7.275 -2.479 1.408 390 HA THR 50 HA THR 50 9.236 -1.747 -0.659 391 HB THR 50 HB THR 50 9.766 0.316 0.621 392 HG1 THR 50 1HG THR 50 7.471 -0.490 2.099 393 1HG2 THR 50 1HG2 THR 50 7.728 1.581 -0.056 394 2HG2 THR 50 2HG2 THR 50 6.934 0.042 -0.389 395 3HG2 THR 50 3HG2 THR 50 8.354 0.522 -1.319 396 H GLU 51 H GLU 51 8.698 -2.182 2.830 397 HA GLU 51 HA GLU 51 11.510 -2.995 3.102 398 1HB GLU 51 1HB GLU 51 9.596 -2.332 5.338 399 2HB GLU 51 2HB GLU 51 11.345 -2.482 5.431 400 1HG GLU 51 1HG GLU 51 10.090 -0.411 3.681 401 2HG GLU 51 2HG GLU 51 10.279 -0.137 5.412 402 H GLY 52 H GLY 52 8.194 -4.010 3.645 403 1HA GLY 52 1HA GLY 52 7.746 -6.402 3.331 404 2HA GLY 52 2HA GLY 52 9.213 -6.718 4.246 405 HA PRO 53 HA PRO 53 5.846 -7.264 7.274 406 1HB PRO 53 1HB PRO 53 7.195 -9.102 8.749 407 2HB PRO 53 2HB PRO 53 6.283 -9.520 7.293 408 1HG PRO 53 1HG PRO 53 9.225 -9.081 7.624 409 2HG PRO 53 2HG PRO 53 8.378 -10.341 6.708 410 1HD PRO 53 1HD PRO 53 9.446 -8.152 5.527 411 2HD PRO 53 2HD PRO 53 7.983 -8.949 4.914 412 H CYS 54 H CYS 54 5.610 -6.238 9.191 413 HA CYS 54 HA CYS 54 7.333 -4.302 10.076 414 1HB CYS 54 1HB CYS 54 5.075 -4.309 10.860 415 2HB CYS 54 2HB CYS 54 5.273 -5.890 11.608 416 HG CYS 54 HG CYS 54 6.977 -4.986 13.623 417 H ASN 55 H ASN 55 9.429 -4.646 10.498 418 HA ASN 55 HA ASN 55 10.111 -6.781 12.411 419 1HB ASN 55 1HB ASN 55 12.271 -6.984 11.349 420 2HB ASN 55 2HB ASN 55 11.024 -7.120 10.112 421 1HD2 ASN 55 1HD2 ASN 55 10.563 -5.201 8.842 422 2HD2 ASN 55 2HD2 ASN 55 11.841 -4.087 8.510 423 H MET 56 H MET 56 9.387 -3.831 12.705 424 HA MET 56 HA MET 56 11.852 -2.822 13.919 425 1HB MET 56 1HB MET 56 10.409 -0.720 14.216 426 2HB MET 56 2HB MET 56 10.883 -1.159 12.580 427 1HG MET 56 1HG MET 56 8.732 -1.993 12.078 428 2HG MET 56 2HG MET 56 8.242 -1.941 13.770 429 1HE MET 56 1HE MET 56 7.826 1.612 14.660 430 2HE MET 56 2HE MET 56 8.842 0.224 15.048 431 3HE MET 56 3HE MET 56 9.518 1.593 14.164 432 HA PRO 57 HA PRO 57 10.598 -3.642 18.045 433 1HB PRO 57 1HB PRO 57 11.671 -1.519 19.354 434 2HB PRO 57 2HB PRO 57 12.648 -2.839 18.701 435 1HG PRO 57 1HG PRO 57 12.105 -0.132 17.544 436 2HG PRO 57 2HG PRO 57 13.632 -1.031 17.618 437 1HD PRO 57 1HD PRO 57 12.112 -0.922 15.379 438 2HD PRO 57 2HD PRO 57 13.094 -2.340 15.798 439 H LYS 58 H LYS 58 8.740 -3.393 19.112 440 HA LYS 58 HA LYS 58 6.819 -1.476 18.418 441 1HB LYS 58 1HB LYS 58 6.540 -3.770 19.586 442 2HB LYS 58 2HB LYS 58 6.826 -2.880 21.076 443 1HG LYS 58 1HG LYS 58 4.817 -1.836 21.003 444 2HG LYS 58 2HG LYS 58 4.774 -1.799 19.239 445 1HD LYS 58 1HD LYS 58 3.185 -3.386 19.566 446 2HD LYS 58 2HD LYS 58 4.600 -4.440 19.608 447 1HE LYS 58 1HE LYS 58 3.394 -3.185 22.065 448 2HE LYS 58 2HE LYS 58 2.929 -4.777 21.465 449 1HZ LYS 58 1HZ LYS 58 5.771 -4.198 21.927 450 2HZ LYS 58 2HZ LYS 58 4.949 -5.673 22.010 451 3HZ LYS 58 3HZ LYS 58 4.779 -4.540 23.254 452 HA PRO 59 HA PRO 59 8.335 2.023 20.694 453 1HB PRO 59 1HB PRO 59 6.202 3.636 20.228 454 2HB PRO 59 2HB PRO 59 7.438 3.303 19.010 455 1HG PRO 59 1HG PRO 59 4.728 2.076 19.342 456 2HG PRO 59 2HG PRO 59 5.540 2.612 17.859 457 1HD PRO 59 1HD PRO 59 5.439 0.011 18.605 458 2HD PRO 59 2HD PRO 59 6.812 0.696 17.712 459 H GLY 60 H GLY 60 7.377 3.567 22.372 460 1HA GLY 60 1HA GLY 60 6.033 1.937 24.381 461 2HA GLY 60 2HA GLY 60 6.815 3.488 24.650 462 H VAL 61 H VAL 61 4.161 2.535 25.483 463 HA VAL 61 HA VAL 61 2.005 3.408 24.085 464 HB VAL 61 HB VAL 61 0.991 4.092 26.299 465 1HG1 VAL 61 1HG1 VAL 61 2.270 1.414 26.604 466 2HG1 VAL 61 2HG1 VAL 61 0.598 1.902 26.888 467 3HG1 VAL 61 3HG1 VAL 61 1.194 1.709 25.239 468 1HG2 VAL 61 1HG2 VAL 61 2.768 4.862 27.590 469 2HG2 VAL 61 2HG2 VAL 61 2.425 3.275 28.279 470 3HG2 VAL 61 3HG2 VAL 61 3.790 3.483 27.182 471 H PHE 62 H PHE 62 3.976 5.468 26.226 472 HA PHE 62 HA PHE 62 2.721 7.868 25.947 473 1HB PHE 62 1HB PHE 62 5.717 7.738 25.755 474 2HB PHE 62 2HB PHE 62 4.716 8.908 26.608 475 HD1 PHE 62 1HD PHE 62 7.102 6.835 27.374 476 HD2 PHE 62 2HD PHE 62 2.928 7.162 28.143 477 HE1 PHE 62 1HE PHE 62 7.388 5.554 29.455 478 HE2 PHE 62 2HE PHE 62 3.208 5.883 30.225 479 HZ PHE 62 HZ PHE 62 5.440 5.078 30.885 480 H ASP 63 H ASP 63 4.740 6.246 23.590 481 HA ASP 63 HA ASP 63 4.704 8.520 21.785 482 1HB ASP 63 1HB ASP 63 6.041 5.854 21.830 483 2HB ASP 63 2HB ASP 63 5.798 6.632 20.268 484 H LEU 64 H LEU 64 2.144 7.624 22.408 485 HA LEU 64 HA LEU 64 0.820 5.785 20.998 486 1HB LEU 64 1HB LEU 64 -0.039 8.673 21.037 487 2HB LEU 64 2HB LEU 64 -1.080 7.262 20.854 488 HG LEU 64 HG LEU 64 0.506 7.890 23.341 489 1HD1 LEU 64 1HD1 LEU 64 -2.310 8.559 22.552 490 2HD1 LEU 64 2HD1 LEU 64 -1.066 9.617 23.217 491 3HD1 LEU 64 3HD1 LEU 64 -1.827 8.400 24.241 492 1HD2 LEU 64 1HD2 LEU 64 -0.314 5.486 22.664 493 2HD2 LEU 64 2HD2 LEU 64 -1.869 6.097 23.229 494 3HD2 LEU 64 3HD2 LEU 64 -0.483 6.071 24.320 495 H ILE 65 H ILE 65 2.217 8.712 19.627 496 HA ILE 65 HA ILE 65 1.125 8.681 17.090 497 HB ILE 65 HB ILE 65 3.980 9.378 17.788 498 1HG1 ILE 65 1HG1 ILE 65 2.268 10.577 19.145 499 2HG1 ILE 65 2HG1 ILE 65 3.194 11.647 18.098 500 1HG2 ILE 65 1HG2 ILE 65 3.717 10.916 15.803 501 2HG2 ILE 65 2HG2 ILE 65 3.815 9.194 15.437 502 3HG2 ILE 65 3HG2 ILE 65 2.254 10.013 15.409 503 1HD1 ILE 65 1HD1 ILE 65 0.434 10.602 17.511 504 2HD1 ILE 65 2HD1 ILE 65 0.817 12.207 18.134 505 3HD1 ILE 65 3HD1 ILE 65 1.358 11.734 16.524 506 H ASN 66 H ASN 66 4.264 7.241 17.998 507 HA ASN 66 HA ASN 66 4.624 5.873 15.563 508 1HB ASN 66 1HB ASN 66 5.832 5.590 18.302 509 2HB ASN 66 2HB ASN 66 6.243 4.459 17.016 510 1HD2 ASN 66 1HD2 ASN 66 6.175 7.883 17.847 511 2HD2 ASN 66 2HD2 ASN 66 7.508 8.336 16.846 512 H LYS 67 H LYS 67 3.423 4.763 18.718 513 HA LYS 67 HA LYS 67 3.055 2.088 18.188 514 1HB LYS 67 1HB LYS 67 2.619 3.439 20.350 515 2HB LYS 67 2HB LYS 67 0.997 3.665 19.710 516 1HG LYS 67 1HG LYS 67 0.914 1.816 21.183 517 2HG LYS 67 2HG LYS 67 0.816 1.171 19.543 518 1HD LYS 67 1HD LYS 67 3.029 0.392 19.600 519 2HD LYS 67 2HD LYS 67 3.434 1.387 21.000 520 1HE LYS 67 1HE LYS 67 3.227 -0.816 21.816 521 2HE LYS 67 2HE LYS 67 1.745 0.012 22.292 522 1HZ LYS 67 1HZ LYS 67 1.552 -2.307 21.282 523 2HZ LYS 67 2HZ LYS 67 1.877 -1.563 19.798 524 3HZ LYS 67 3HZ LYS 67 0.514 -1.108 20.692 525 H ALA 68 H ALA 68 0.991 4.803 17.295 526 HA ALA 68 HA ALA 68 -1.253 3.419 16.407 527 1HB ALA 68 1HB ALA 68 -1.935 5.387 15.420 528 2HB ALA 68 2HB ALA 68 -0.788 5.972 16.626 529 3HB ALA 68 3HB ALA 68 -0.299 5.837 14.936 530 H LYS 69 H LYS 69 1.683 4.320 14.621 531 HA LYS 69 HA LYS 69 0.836 3.155 12.166 532 1HB LYS 69 1HB LYS 69 3.362 4.305 13.237 533 2HB LYS 69 2HB LYS 69 3.489 3.238 11.845 534 1HG LYS 69 1HG LYS 69 3.270 5.249 10.798 535 2HG LYS 69 2HG LYS 69 1.574 4.769 10.902 536 1HD LYS 69 1HD LYS 69 1.411 6.083 13.020 537 2HD LYS 69 2HD LYS 69 3.050 6.666 12.724 538 1HE LYS 69 1HE LYS 69 1.032 6.950 10.557 539 2HE LYS 69 2HE LYS 69 0.927 8.033 11.944 540 1HZ LYS 69 1HZ LYS 69 2.542 8.341 9.755 541 2HZ LYS 69 2HZ LYS 69 3.597 7.821 10.970 542 3HZ LYS 69 3HZ LYS 69 2.648 9.201 11.208 543 H TRP 70 H TRP 70 3.096 2.092 14.700 544 HA TRP 70 HA TRP 70 3.996 -0.264 13.654 545 1HB TRP 70 1HB TRP 70 4.507 0.811 15.935 546 2HB TRP 70 2HB TRP 70 3.117 -0.092 16.530 547 HD1 TRP 70 HD TRP 70 6.690 -0.590 15.258 548 HE1 TRP 70 1HE TRP 70 7.459 -2.967 15.877 549 HE3 TRP 70 3HE TRP 70 2.260 -2.448 17.009 550 HZ2 TRP 70 2HZ TRP 70 6.337 -5.318 16.963 551 HZ3 TRP 70 3HZ TRP 70 2.193 -4.771 17.818 552 HH2 TRP 70 HH TRP 70 4.191 -6.175 17.795 553 H ASP 71 H ASP 71 0.926 0.258 15.353 554 HA ASP 71 HA ASP 71 0.062 -2.426 15.277 555 1HB ASP 71 1HB ASP 71 -1.284 0.214 15.693 556 2HB ASP 71 2HB ASP 71 -2.275 -1.220 15.438 557 H ALA 72 H ALA 72 -0.031 0.153 12.942 558 HA ALA 72 HA ALA 72 -1.969 -1.080 11.225 559 1HB ALA 72 1HB ALA 72 -0.103 0.882 10.062 560 2HB ALA 72 2HB ALA 72 -1.865 0.817 10.010 561 3HB ALA 72 3HB ALA 72 -1.048 1.442 11.442 562 H TRP 73 H TRP 73 1.553 -0.567 10.968 563 HA TRP 73 HA TRP 73 1.830 -2.197 8.658 564 1HB TRP 73 1HB TRP 73 3.435 -0.411 9.272 565 2HB TRP 73 2HB TRP 73 3.945 -1.371 10.658 566 HD1 TRP 73 HD TRP 73 3.347 -3.478 7.638 567 HE1 TRP 73 1HE TRP 73 5.593 -4.170 6.588 568 HE3 TRP 73 3HE TRP 73 6.453 -0.355 10.233 569 HZ2 TRP 73 2HZ TRP 73 8.320 -3.483 6.829 570 HZ3 TRP 73 3HZ TRP 73 8.867 -0.435 9.764 571 HH2 TRP 73 HH TRP 73 9.780 -1.968 8.097 572 H ASN 74 H ASN 74 1.896 -2.816 12.086 573 HA ASN 74 HA ASN 74 3.139 -5.379 11.931 574 1HB ASN 74 1HB ASN 74 3.213 -4.173 14.017 575 2HB ASN 74 2HB ASN 74 1.455 -4.082 14.081 576 1HD2 ASN 74 1HD2 ASN 74 0.973 -5.214 15.847 577 2HD2 ASN 74 2HD2 ASN 74 1.431 -6.855 16.132 578 H ALA 75 H ALA 75 -0.197 -4.235 11.957 579 HA ALA 75 HA ALA 75 -1.536 -6.644 12.284 580 1HB ALA 75 1HB ALA 75 -3.043 -5.172 10.437 581 2HB ALA 75 2HB ALA 75 -3.215 -5.195 12.193 582 3HB ALA 75 3HB ALA 75 -2.190 -3.984 11.424 583 H LEU 76 H LEU 76 0.476 -5.686 9.738 584 HA LEU 76 HA LEU 76 -0.787 -7.230 7.665 585 1HB LEU 76 1HB LEU 76 1.731 -5.662 7.933 586 2HB LEU 76 2HB LEU 76 1.602 -6.839 6.628 587 HG LEU 76 HG LEU 76 1.047 -4.451 6.035 588 1HD1 LEU 76 1HD1 LEU 76 -1.433 -5.755 5.364 589 2HD1 LEU 76 2HD1 LEU 76 -0.071 -6.863 5.203 590 3HD1 LEU 76 3HD1 LEU 76 -0.069 -5.331 4.330 591 1HD2 LEU 76 1HD2 LEU 76 -1.399 -3.896 6.604 592 2HD2 LEU 76 2HD2 LEU 76 -0.170 -3.624 7.839 593 3HD2 LEU 76 3HD2 LEU 76 -1.202 -5.052 7.922 594 H GLY 77 H GLY 77 2.000 -7.625 9.817 595 1HA GLY 77 1HA GLY 77 3.011 -9.556 10.568 596 2HA GLY 77 2HA GLY 77 1.752 -10.473 9.755 597 H SER 78 H SER 78 2.872 -11.980 8.660 598 HA SER 78 HA SER 78 5.307 -11.300 7.252 599 1HB SER 78 1HB SER 78 4.851 -13.510 8.469 600 2HB SER 78 2HB SER 78 3.837 -13.930 7.089 601 HG SER 78 HG SER 78 5.963 -14.694 6.813 602 H LEU 79 H LEU 79 3.031 -9.893 6.337 603 HA LEU 79 HA LEU 79 1.957 -11.093 3.986 604 1HB LEU 79 1HB LEU 79 0.960 -9.209 5.373 605 2HB LEU 79 2HB LEU 79 2.103 -8.145 4.556 606 HG LEU 79 HG LEU 79 -0.129 -8.032 3.561 607 1HD1 LEU 79 1HD1 LEU 79 0.604 -7.946 1.392 608 2HD1 LEU 79 2HD1 LEU 79 1.528 -9.441 1.526 609 3HD1 LEU 79 3HD1 LEU 79 2.142 -7.957 2.254 610 1HD2 LEU 79 1HD2 LEU 79 -0.025 -10.856 3.861 611 2HD2 LEU 79 2HD2 LEU 79 -0.212 -10.487 2.146 612 3HD2 LEU 79 3HD2 LEU 79 -1.370 -9.853 3.317 613 HA PRO 80 HA PRO 80 5.512 -10.434 1.399 614 1HB PRO 80 1HB PRO 80 4.357 -11.283 -0.906 615 2HB PRO 80 2HB PRO 80 4.915 -12.390 0.354 616 1HG PRO 80 1HG PRO 80 2.146 -11.400 -0.205 617 2HG PRO 80 2HG PRO 80 2.687 -13.038 0.203 618 1HD PRO 80 1HD PRO 80 1.573 -11.375 2.026 619 2HD PRO 80 2HD PRO 80 2.813 -12.570 2.457 620 H LYS 81 H LYS 81 6.215 -8.818 0.086 621 HA LYS 81 HA LYS 81 4.915 -6.415 -0.112 622 1HB LYS 81 1HB LYS 81 6.992 -7.604 -1.953 623 2HB LYS 81 2HB LYS 81 6.477 -5.924 -2.030 624 1HG LYS 81 1HG LYS 81 7.495 -5.378 -0.042 625 2HG LYS 81 2HG LYS 81 7.455 -7.038 0.557 626 1HD LYS 81 1HD LYS 81 9.148 -7.643 -1.151 627 2HD LYS 81 2HD LYS 81 9.237 -5.944 -1.619 628 1HE LYS 81 1HE LYS 81 10.150 -5.313 0.455 629 2HE LYS 81 2HE LYS 81 9.704 -6.843 1.209 630 1HZ LYS 81 1HZ LYS 81 11.692 -7.620 0.685 631 2HZ LYS 81 2HZ LYS 81 12.101 -6.171 -0.085 632 3HZ LYS 81 3HZ LYS 81 11.360 -7.414 -0.961 633 H GLU 82 H GLU 82 4.930 -9.043 -2.493 634 HA GLU 82 HA GLU 82 3.639 -7.914 -4.609 635 1HB GLU 82 1HB GLU 82 3.133 -10.663 -3.456 636 2HB GLU 82 2HB GLU 82 2.674 -10.147 -5.073 637 1HG GLU 82 1HG GLU 82 5.003 -9.822 -5.660 638 2HG GLU 82 2HG GLU 82 5.493 -10.262 -4.025 639 H ALA 83 H ALA 83 2.014 -9.446 -1.830 640 HA ALA 83 HA ALA 83 -0.594 -8.674 -2.641 641 1HB ALA 83 1HB ALA 83 -0.545 -9.066 0.164 642 2HB ALA 83 2HB ALA 83 -1.118 -10.167 -1.089 643 3HB ALA 83 3HB ALA 83 0.564 -10.230 -0.563 644 H ALA 84 H ALA 84 1.794 -7.266 -0.454 645 HA ALA 84 HA ALA 84 0.299 -5.335 0.814 646 1HB ALA 84 1HB ALA 84 2.465 -3.975 0.773 647 2HB ALA 84 2HB ALA 84 2.518 -5.574 1.517 648 3HB ALA 84 3HB ALA 84 3.154 -5.338 -0.110 649 H ARG 85 H ARG 85 2.087 -4.915 -2.247 650 HA ARG 85 HA ARG 85 1.236 -2.327 -2.809 651 1HB ARG 85 1HB ARG 85 1.989 -4.580 -4.674 652 2HB ARG 85 2HB ARG 85 1.726 -2.924 -5.205 653 1HG ARG 85 1HG ARG 85 3.516 -2.281 -3.501 654 2HG ARG 85 2HG ARG 85 3.901 -4.002 -3.449 655 1HD ARG 85 1HD ARG 85 3.695 -2.648 -6.095 656 2HD ARG 85 2HD ARG 85 5.134 -2.379 -5.113 657 HE ARG 85 HE ARG 85 4.376 -4.815 -6.467 658 1HH1 ARG 85 2HH1 ARG 85 6.335 -3.367 -3.980 659 2HH1 ARG 85 1HH1 ARG 85 7.497 -4.652 -3.966 660 1HH2 ARG 85 2HH2 ARG 85 5.900 -6.513 -6.457 661 2HH2 ARG 85 1HH2 ARG 85 7.249 -6.440 -5.376 662 H GLN 86 H GLN 86 -0.303 -5.423 -3.484 663 HA GLN 86 HA GLN 86 -2.359 -4.438 -5.150 664 1HB GLN 86 1HB GLN 86 -1.553 -6.892 -4.621 665 2HB GLN 86 2HB GLN 86 -2.804 -6.809 -3.388 666 1HG GLN 86 1HG GLN 86 -3.144 -6.509 -6.359 667 2HG GLN 86 2HG GLN 86 -3.734 -7.816 -5.334 668 1HE2 GLN 86 1HE2 GLN 86 -4.820 -5.407 -7.067 669 2HE2 GLN 86 2HE2 GLN 86 -6.156 -4.864 -6.115 670 H ASN 87 H ASN 87 -2.086 -4.831 -1.661 671 HA ASN 87 HA ASN 87 -4.806 -4.213 -1.091 672 1HB ASN 87 1HB ASN 87 -2.304 -4.259 0.594 673 2HB ASN 87 2HB ASN 87 -3.873 -3.806 1.255 674 1HD2 ASN 87 1HD2 ASN 87 -1.813 -6.351 0.366 675 2HD2 ASN 87 2HD2 ASN 87 -2.893 -7.658 0.699 676 H TYR 88 H TYR 88 -1.827 -2.324 -1.239 677 HA TYR 88 HA TYR 88 -2.831 0.077 -0.195 678 1HB TYR 88 1HB TYR 88 -0.422 -0.410 -0.541 679 2HB TYR 88 2HB TYR 88 -0.664 -0.264 -2.279 680 HD1 TYR 88 1HD TYR 88 0.234 1.454 0.670 681 HD2 TYR 88 2HD TYR 88 -1.685 2.008 -3.087 682 HE1 TYR 88 1HE TYR 88 0.645 3.874 0.823 683 HE2 TYR 88 2HE TYR 88 -1.277 4.429 -2.945 684 HH TYR 88 HH TYR 88 -0.898 6.111 -0.850 685 H VAL 89 H VAL 89 -2.397 -0.883 -3.603 686 HA VAL 89 HA VAL 89 -3.633 1.371 -4.723 687 HB VAL 89 HB VAL 89 -3.990 -0.120 -6.739 688 1HG1 VAL 89 1HG1 VAL 89 -1.730 1.090 -5.755 689 2HG1 VAL 89 2HG1 VAL 89 -1.172 -0.543 -6.125 690 3HG1 VAL 89 3HG1 VAL 89 -1.924 0.439 -7.382 691 1HG2 VAL 89 1HG2 VAL 89 -4.076 -2.312 -6.311 692 2HG2 VAL 89 2HG2 VAL 89 -2.317 -2.240 -6.199 693 3HG2 VAL 89 3HG2 VAL 89 -3.299 -2.121 -4.739 694 H ASP 90 H ASP 90 -4.948 -1.804 -3.851 695 HA ASP 90 HA ASP 90 -7.491 -1.622 -4.865 696 1HB ASP 90 1HB ASP 90 -6.690 -3.631 -3.759 697 2HB ASP 90 2HB ASP 90 -6.631 -2.792 -2.212 698 H LEU 91 H LEU 91 -6.189 -0.089 -1.982 699 HA LEU 91 HA LEU 91 -8.692 0.862 -1.007 700 1HB LEU 91 1HB LEU 91 -6.718 0.566 0.422 701 2HB LEU 91 2HB LEU 91 -5.900 1.858 -0.454 702 HG LEU 91 HG LEU 91 -6.784 2.534 1.768 703 1HD1 LEU 91 1HD1 LEU 91 -6.493 4.049 -0.292 704 2HD1 LEU 91 2HD1 LEU 91 -7.439 4.650 1.069 705 3HD1 LEU 91 3HD1 LEU 91 -8.255 4.032 -0.368 706 1HD2 LEU 91 1HD2 LEU 91 -8.809 1.142 1.738 707 2HD2 LEU 91 2HD2 LEU 91 -9.476 2.157 0.459 708 3HD2 LEU 91 3HD2 LEU 91 -9.173 2.837 2.059 709 H VAL 92 H VAL 92 -5.939 2.648 -2.415 710 HA VAL 92 HA VAL 92 -7.032 5.112 -2.725 711 HB VAL 92 HB VAL 92 -5.301 3.685 -4.749 712 1HG1 VAL 92 1HG1 VAL 92 -6.622 6.134 -5.009 713 2HG1 VAL 92 2HG1 VAL 92 -4.950 6.540 -4.619 714 3HG1 VAL 92 3HG1 VAL 92 -5.308 5.516 -6.010 715 1HG2 VAL 92 1HG2 VAL 92 -3.624 5.335 -3.510 716 2HG2 VAL 92 2HG2 VAL 92 -4.768 5.090 -2.190 717 3HG2 VAL 92 3HG2 VAL 92 -3.950 3.706 -2.916 718 H SER 93 H SER 93 -7.643 2.285 -4.729 719 HA SER 93 HA SER 93 -9.104 3.631 -6.753 720 1HB SER 93 1HB SER 93 -8.063 1.309 -6.895 721 2HB SER 93 2HB SER 93 -9.451 0.734 -5.971 722 HG SER 93 HG SER 93 -10.777 1.222 -7.631 723 H SER 94 H SER 94 -9.993 2.133 -3.700 724 HA SER 94 HA SER 94 -12.783 2.133 -4.053 725 1HB SER 94 1HB SER 94 -11.145 2.326 -1.514 726 2HB SER 94 2HB SER 94 -12.879 2.010 -1.566 727 HG SER 94 HG SER 94 -11.835 0.050 -1.451 728 H LEU 95 H LEU 95 -10.551 4.594 -2.890 729 HA LEU 95 HA LEU 95 -12.514 6.417 -1.971 730 1HB LEU 95 1HB LEU 95 -9.700 6.921 -2.926 731 2HB LEU 95 2HB LEU 95 -10.703 8.081 -2.058 732 HG LEU 95 HG LEU 95 -9.920 5.426 -0.878 733 1HD1 LEU 95 1HD1 LEU 95 -8.444 7.548 0.278 734 2HD1 LEU 95 2HD1 LEU 95 -8.201 7.609 -1.467 735 3HD1 LEU 95 3HD1 LEU 95 -7.842 6.128 -0.579 736 1HD2 LEU 95 1HD2 LEU 95 -11.813 7.149 -0.072 737 2HD2 LEU 95 2HD2 LEU 95 -10.413 7.844 0.745 738 3HD2 LEU 95 3HD2 LEU 95 -10.862 6.163 1.039 739 H SER 96 H SER 96 -10.608 6.330 -4.982 740 HA SER 96 HA SER 96 -11.668 8.538 -6.244 741 1HB SER 96 1HB SER 96 -11.056 7.438 -8.371 742 2HB SER 96 2HB SER 96 -9.787 7.265 -7.158 743 HG SER 96 HG SER 96 -11.728 5.263 -7.330 744 HA PRO 97 HA PRO 97 -15.903 7.614 -7.009 745 1HB PRO 97 1HB PRO 97 -16.334 9.295 -9.098 746 2HB PRO 97 2HB PRO 97 -16.157 9.858 -7.432 747 1HG PRO 97 1HG PRO 97 -14.135 9.806 -9.638 748 2HG PRO 97 2HG PRO 97 -14.468 11.085 -8.456 749 1HD PRO 97 1HD PRO 97 -12.393 9.366 -8.196 750 2HD PRO 97 2HD PRO 97 -13.252 10.043 -6.798 751 H SER 98 H SER 98 -13.947 7.940 -9.980 752 HA SER 98 HA SER 98 -14.651 5.306 -10.862 753 1HB SER 98 1HB SER 98 -15.801 6.019 -12.939 754 2HB SER 98 2HB SER 98 -16.712 6.450 -11.491 755 HG SER 98 HG SER 98 -15.068 8.165 -13.045 756 H LEU 99 H LEU 99 -13.086 4.526 -12.139 757 HA LEU 99 HA LEU 99 -11.532 6.268 -13.850 758 1HB LEU 99 1HB LEU 99 -10.428 4.983 -11.386 759 2HB LEU 99 2HB LEU 99 -9.396 5.220 -12.796 760 HG LEU 99 HG LEU 99 -10.873 7.467 -11.438 761 1HD1 LEU 99 1HD1 LEU 99 -7.963 7.163 -11.058 762 2HD1 LEU 99 2HD1 LEU 99 -8.993 6.050 -10.158 763 3HD1 LEU 99 3HD1 LEU 99 -9.195 7.791 -9.964 764 1HD2 LEU 99 1HD2 LEU 99 -9.918 7.526 -13.880 765 2HD2 LEU 99 2HD2 LEU 99 -8.378 7.736 -13.047 766 3HD2 LEU 99 3HD2 LEU 99 -9.685 8.892 -12.789 767 H GLU 100 H GLU 100 -9.626 4.828 -14.808 768 HA GLU 100 HA GLU 100 -10.720 2.153 -15.374 769 1HB GLU 100 1HB GLU 100 -9.575 4.144 -17.334 770 2HB GLU 100 2HB GLU 100 -9.844 2.449 -17.717 771 1HG GLU 100 1HG GLU 100 -12.005 4.334 -16.812 772 2HG GLU 100 2HG GLU 100 -11.634 3.985 -18.499 773 H SER 101 H SER 101 -9.317 0.518 -15.207 774 HA SER 101 HA SER 101 -6.442 1.154 -15.113 775 1HB SER 101 1HB SER 101 -7.941 -0.787 -13.336 776 2HB SER 101 2HB SER 101 -6.190 -0.579 -13.358 777 HG SER 101 HG SER 101 -8.152 1.323 -12.605 778 H SER 102 H SER 102 -5.445 0.208 -16.752 779 HA SER 102 HA SER 102 -6.175 -2.548 -17.455 780 1HB SER 102 1HB SER 102 -6.122 -0.160 -19.248 781 2HB SER 102 2HB SER 102 -5.588 -1.708 -19.902 782 HG SER 102 HG SER 102 -7.580 -2.398 -19.884 783 H SER 103 H SER 103 -4.471 -3.854 -17.545 784 HA SER 103 HA SER 103 -1.900 -2.955 -18.477 785 1HB SER 103 1HB SER 103 -1.971 -2.236 -16.058 786 2HB SER 103 2HB SER 103 -2.083 -3.942 -15.624 787 HG SER 103 HG SER 103 0.030 -3.730 -15.636 788 H GLN 104 H GLN 104 -0.656 -4.617 -19.215 789 HA GLN 104 HA GLN 104 -1.926 -7.172 -19.490 790 1HB GLN 104 1HB GLN 104 0.710 -6.048 -20.411 791 2HB GLN 104 2HB GLN 104 0.288 -7.737 -20.658 792 1HG GLN 104 1HG GLN 104 -1.431 -5.468 -21.615 793 2HG GLN 104 2HG GLN 104 -0.147 -6.184 -22.588 794 1HE2 GLN 104 1HE2 GLN 104 -0.982 -7.467 -24.059 795 2HE2 GLN 104 2HE2 GLN 104 -2.283 -8.579 -23.826 796 H VAL 105 H VAL 105 -2.044 -7.738 -17.221 797 HA VAL 105 HA VAL 105 0.489 -8.431 -15.939 798 HB VAL 105 HB VAL 105 -0.822 -8.867 -13.933 799 1HG1 VAL 105 1HG1 VAL 105 -1.076 -6.681 -13.380 800 2HG1 VAL 105 2HG1 VAL 105 -0.244 -6.455 -14.920 801 3HG1 VAL 105 3HG1 VAL 105 -2.000 -6.305 -14.834 802 1HG2 VAL 105 1HG2 VAL 105 -2.854 -9.752 -14.529 803 2HG2 VAL 105 2HG2 VAL 105 -3.325 -8.096 -14.147 804 3HG2 VAL 105 3HG2 VAL 105 -3.106 -8.584 -15.827 805 H GLU 106 H GLU 106 0.744 -10.547 -14.932 806 HA GLU 106 HA GLU 106 -0.698 -12.670 -16.379 807 1HB GLU 106 1HB GLU 106 2.237 -12.405 -15.776 808 2HB GLU 106 2HB GLU 106 1.507 -13.974 -16.088 809 1HG GLU 106 1HG GLU 106 2.217 -13.440 -18.180 810 2HG GLU 106 2HG GLU 106 0.590 -12.763 -18.228 811 HA PRO 107 HA PRO 107 -1.736 -14.009 -12.280 812 1HB PRO 107 1HB PRO 107 -2.915 -16.345 -13.004 813 2HB PRO 107 2HB PRO 107 -3.697 -14.772 -13.202 814 1HG PRO 107 1HG PRO 107 -2.251 -16.437 -15.226 815 2HG PRO 107 2HG PRO 107 -3.772 -15.541 -15.395 816 1HD PRO 107 1HD PRO 107 -1.412 -14.593 -16.324 817 2HD PRO 107 2HD PRO 107 -2.697 -13.528 -15.717 818 H GLY 108 H GLY 108 0.175 -15.831 -14.566 819 1HA GLY 108 1HA GLY 108 1.818 -17.409 -14.289 820 2HA GLY 108 2HA GLY 108 2.046 -16.703 -12.696 821 H THR 109 H THR 109 -0.735 -18.449 -14.044 822 HA THR 109 HA THR 109 -1.117 -19.969 -11.685 823 HB THR 109 HB THR 109 -2.198 -20.517 -14.457 824 HG1 THR 109 1HG THR 109 -3.581 -18.962 -14.060 825 1HG2 THR 109 1HG2 THR 109 -3.178 -21.414 -11.743 826 2HG2 THR 109 2HG2 THR 109 -2.389 -22.437 -12.943 827 3HG2 THR 109 3HG2 THR 109 -3.969 -21.733 -13.286 828 H ASP 110 H ASP 110 -0.176 -21.069 -14.950 829 HA ASP 110 HA ASP 110 0.948 -23.495 -13.779 830 1HB ASP 110 1HB ASP 110 1.193 -24.218 -16.159 831 2HB ASP 110 2HB ASP 110 -0.466 -23.844 -15.699 832 H SER 111 H SER 111 1.955 -20.916 -16.021 833 HA SER 111 HA SER 111 4.661 -21.685 -16.145 834 1HB SER 111 1HB SER 111 3.214 -19.113 -16.734 835 2HB SER 111 2HB SER 111 4.969 -19.219 -16.863 836 HG SER 111 HG SER 111 4.728 -20.820 -18.413 837 H GLY 112 H GLY 112 2.980 -19.300 -14.121 838 1HA GLY 112 1HA GLY 112 3.568 -18.339 -12.122 839 2HA GLY 112 2HA GLY 112 4.675 -19.686 -11.907 840 HA PRO 113 HA PRO 113 7.171 -15.795 -12.270 841 1HB PRO 113 1HB PRO 113 8.780 -16.352 -10.155 842 2HB PRO 113 2HB PRO 113 7.224 -15.529 -9.988 843 1HG PRO 113 1HG PRO 113 7.901 -18.410 -9.536 844 2HG PRO 113 2HG PRO 113 6.883 -17.333 -8.561 845 1HD PRO 113 1HD PRO 113 5.851 -19.137 -10.297 846 2HD PRO 113 2HD PRO 113 5.066 -17.582 -9.957 847 H SER 114 H SER 114 8.386 -19.016 -11.324 848 HA SER 114 HA SER 114 10.717 -18.611 -13.051 849 1HB SER 114 1HB SER 114 11.659 -20.578 -11.921 850 2HB SER 114 2HB SER 114 11.140 -19.369 -10.746 851 HG SER 114 HG SER 114 10.517 -21.732 -10.486 852 H SER 115 H SER 115 10.401 -19.188 -15.097 853 HA SER 115 HA SER 115 8.774 -21.570 -15.666 854 1HB SER 115 1HB SER 115 8.483 -20.681 -17.910 855 2HB SER 115 2HB SER 115 8.061 -19.437 -16.733 856 HG SER 115 HG SER 115 10.700 -19.520 -17.627 857 H GLY 116 H GLY 116 11.348 -22.003 -14.719 858 1HA GLY 116 1HA GLY 116 13.154 -22.397 -16.934 859 2HA GLY 116 2HA GLY 116 13.420 -22.889 -15.268
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