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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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4160 |
1ev0 ![]() ![]() |
4237 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ARG 31 1H ARG 31 4.527 0.601 3.462 2 2H ARG 31 2H ARG 31 3.569 1.971 3.161 3 3H ARG 31 3H ARG 31 5.243 2.137 3.399 4 HA ARG 31 HA ARG 31 4.073 0.593 1.156 5 1HB ARG 31 2HB ARG 31 3.682 3.240 1.390 6 2HB ARG 31 1HB ARG 31 5.320 3.269 0.737 7 1HG ARG 31 2HG ARG 31 4.349 1.515 -0.976 8 2HG ARG 31 1HG ARG 31 2.801 2.226 -0.516 9 1HD ARG 31 2HD ARG 31 4.123 4.499 -0.910 10 2HD ARG 31 1HD ARG 31 5.110 3.474 -1.952 11 HE ARG 31 HE ARG 31 3.303 3.351 -3.460 12 1HH1 ARG 31 1HH2 ARG 31 2.204 4.512 -0.349 13 2HH1 ARG 31 2HH2 ARG 31 0.618 4.876 -0.932 14 1HH2 ARG 31 1HH1 ARG 31 1.238 3.837 -4.172 15 2HH2 ARG 31 2HH1 ARG 31 0.074 4.498 -3.073 16 H SER 32 H SER 32 5.723 -0.951 1.174 17 HA SER 32 HA SER 32 8.470 -0.447 1.703 18 1HB SER 32 2HB SER 32 7.554 -2.560 -0.232 19 2HB SER 32 1HB SER 32 8.883 -2.625 0.921 20 HG SER 32 HG SER 32 6.134 -2.948 1.306 21 H ASP 33 H ASP 33 6.551 0.214 -1.125 22 HA ASP 33 HA ASP 33 8.888 0.438 -2.871 23 1HB ASP 33 2HB ASP 33 6.041 1.281 -3.438 24 2HB ASP 33 1HB ASP 33 7.324 1.011 -4.617 25 H ALA 34 H ALA 34 8.132 2.312 -0.410 26 HA ALA 34 HA ALA 34 8.127 4.904 -1.784 27 1HB ALA 34 1HB ALA 34 7.953 5.839 0.499 28 2HB ALA 34 2HB ALA 34 8.132 4.217 1.167 29 3HB ALA 34 3HB ALA 34 6.708 4.624 0.209 30 H GLU 35 H GLU 35 10.376 2.664 -0.455 31 HA GLU 35 HA GLU 35 12.426 4.337 0.505 32 1HB GLU 35 2HB GLU 35 12.824 1.752 -1.024 33 2HB GLU 35 1HB GLU 35 13.930 2.478 0.135 34 1HG GLU 35 2HG GLU 35 11.234 2.104 1.233 35 2HG GLU 35 1HG GLU 35 11.980 0.591 0.726 36 HA PRO 36 HA PRO 36 14.128 4.760 -3.948 37 1HB PRO 36 2HB PRO 36 12.613 3.881 -6.043 38 2HB PRO 36 1HB PRO 36 13.751 2.850 -5.164 39 1HG PRO 36 2HG PRO 36 10.819 2.816 -5.157 40 2HG PRO 36 1HG PRO 36 11.962 1.550 -4.690 41 1HD PRO 36 2HD PRO 36 10.485 3.308 -2.970 42 2HD PRO 36 1HD PRO 36 11.640 2.054 -2.503 43 H HIS 37 H HIS 37 10.566 5.033 -4.008 44 HA HIS 37 HA HIS 37 9.189 6.885 -4.354 45 1HB HIS 37 2HB HIS 37 11.257 8.062 -3.167 46 2HB HIS 37 1HB HIS 37 11.498 8.739 -4.778 47 HD1 HIS 37 HD1 HIS 37 9.595 10.262 -5.737 48 HD2 HIS 37 HD2 HIS 37 8.964 9.020 -1.808 49 HE1 HIS 37 HE1 HIS 37 7.720 11.699 -4.824 50 H TYR 38 H TYR 38 11.172 5.531 -6.595 51 HA TYR 38 HA TYR 38 10.042 7.235 -8.768 52 1HB TYR 38 2HB TYR 38 12.024 6.408 -10.146 53 2HB TYR 38 1HB TYR 38 12.407 7.566 -8.875 54 HD1 TYR 38 HD1 TYR 38 13.753 6.950 -6.984 55 HD2 TYR 38 HD2 TYR 38 12.489 3.976 -9.815 56 HE1 TYR 38 HE1 TYR 38 15.340 5.326 -5.986 57 HE2 TYR 38 HE2 TYR 38 14.076 2.353 -8.816 58 HH TYR 38 HH TYR 38 15.660 2.933 -5.828 59 H LEU 39 H LEU 39 10.917 3.981 -7.693 60 HA LEU 39 HA LEU 39 10.152 2.422 -9.877 61 1HB LEU 39 2HB LEU 39 10.718 2.010 -7.144 62 2HB LEU 39 1HB LEU 39 9.151 1.255 -7.411 63 HG LEU 39 HG LEU 39 10.915 -0.379 -7.851 64 1HD1 LEU 39 1HD1 LEU 39 10.212 -1.138 -9.977 65 2HD1 LEU 39 2HD1 LEU 39 9.990 0.502 -10.586 66 3HD1 LEU 39 3HD1 LEU 39 8.854 -0.164 -9.414 67 1HD2 LEU 39 1HD2 LEU 39 12.323 0.310 -10.039 68 2HD2 LEU 39 2HD2 LEU 39 12.874 0.685 -8.406 69 3HD2 LEU 39 3HD2 LEU 39 12.056 1.918 -9.366 70 HA PRO 40 HA PRO 40 5.548 2.568 -8.437 71 1HB PRO 40 2HB PRO 40 4.856 4.400 -6.527 72 2HB PRO 40 1HB PRO 40 5.344 2.738 -6.162 73 1HG PRO 40 2HG PRO 40 6.864 5.263 -5.847 74 2HG PRO 40 1HG PRO 40 6.947 3.765 -4.913 75 1HD PRO 40 2HD PRO 40 8.778 4.557 -6.862 76 2HD PRO 40 1HD PRO 40 8.595 2.903 -6.240 77 H GLN 41 H GLN 41 7.493 5.391 -8.893 78 HA GLN 41 HA GLN 41 5.342 7.139 -9.807 79 1HB GLN 41 2HB GLN 41 7.427 8.080 -8.883 80 2HB GLN 41 1HB GLN 41 8.358 7.291 -10.155 81 1HG GLN 41 2HG GLN 41 8.004 9.632 -10.749 82 2HG GLN 41 1HG GLN 41 7.086 8.606 -11.852 83 1HE2 GLN 41 1HE2 GLN 41 5.288 9.960 -12.294 84 2HE2 GLN 41 2HE2 GLN 41 4.239 10.550 -11.097 85 H LEU 42 H LEU 42 7.603 4.835 -11.206 86 HA LEU 42 HA LEU 42 7.035 5.557 -13.945 87 1HB LEU 42 2HB LEU 42 8.317 3.086 -12.754 88 2HB LEU 42 1HB LEU 42 8.250 3.442 -14.462 89 HG LEU 42 HG LEU 42 10.130 4.665 -14.326 90 1HD1 LEU 42 1HD1 LEU 42 8.673 6.614 -13.604 91 2HD1 LEU 42 2HD1 LEU 42 10.357 6.704 -13.098 92 3HD1 LEU 42 3HD1 LEU 42 9.120 6.229 -11.943 93 1HD2 LEU 42 1HD2 LEU 42 9.935 3.651 -11.516 94 2HD2 LEU 42 2HD2 LEU 42 11.238 4.761 -11.941 95 3HD2 LEU 42 3HD2 LEU 42 11.083 3.220 -12.784 96 H ARG 43 H ARG 43 5.986 2.959 -11.728 97 HA ARG 43 HA ARG 43 4.405 1.544 -13.636 98 1HB ARG 43 2HB ARG 43 3.352 0.473 -11.739 99 2HB ARG 43 1HB ARG 43 5.052 0.675 -11.374 100 1HG ARG 43 2HG ARG 43 4.503 2.732 -10.091 101 2HG ARG 43 1HG ARG 43 2.792 2.427 -10.384 102 1HD ARG 43 2HD ARG 43 3.210 0.104 -9.356 103 2HD ARG 43 1HD ARG 43 4.732 0.773 -8.767 104 HE ARG 43 HE ARG 43 2.432 2.439 -8.110 105 1HH1 ARG 43 1HH2 ARG 43 4.358 -0.313 -7.133 106 2HH1 ARG 43 2HH2 ARG 43 3.914 -0.160 -5.470 107 1HH2 ARG 43 2HH1 ARG 43 1.883 2.598 -5.947 108 2HH2 ARG 43 1HH1 ARG 43 2.528 1.469 -4.803 109 H LYS 44 H LYS 44 3.559 4.200 -11.390 110 HA LYS 44 HA LYS 44 0.823 4.288 -12.177 111 1HB LYS 44 2HB LYS 44 0.734 6.434 -11.062 112 2HB LYS 44 1HB LYS 44 1.750 5.370 -10.103 113 1HG LYS 44 2HG LYS 44 3.757 6.393 -11.039 114 2HG LYS 44 1HG LYS 44 2.785 7.399 -12.106 115 1HD LYS 44 2HD LYS 44 3.462 8.711 -10.159 116 2HD LYS 44 1HD LYS 44 1.721 8.436 -10.104 117 1HE LYS 44 2HE LYS 44 2.044 6.577 -8.531 118 2HE LYS 44 1HE LYS 44 3.791 6.800 -8.608 119 1HZ LYS 44 1HZ LYS 44 2.501 7.884 -6.697 120 2HZ LYS 44 2HZ LYS 44 2.021 9.033 -7.853 121 3HZ LYS 44 3HZ LYS 44 3.669 8.812 -7.505 122 H ASP 45 H ASP 45 3.786 5.612 -13.523 123 HA ASP 45 HA ASP 45 2.586 7.472 -15.332 124 1HB ASP 45 2HB ASP 45 5.208 5.983 -15.350 125 2HB ASP 45 1HB ASP 45 4.755 7.084 -16.640 126 H ILE 46 H ILE 46 3.594 4.044 -15.732 127 HA ILE 46 HA ILE 46 2.779 3.802 -18.447 128 HB ILE 46 HB ILE 46 4.157 2.117 -17.157 129 1HG1 ILE 46 2HG1 ILE 46 1.740 1.002 -18.610 130 2HG1 ILE 46 1HG1 ILE 46 3.147 1.709 -19.405 131 1HG2 ILE 46 1HG2 ILE 46 2.388 0.258 -16.254 132 2HG2 ILE 46 2HG2 ILE 46 1.573 1.735 -15.761 133 3HG2 ILE 46 3HG2 ILE 46 3.212 1.416 -15.218 134 1HD1 ILE 46 1HD1 ILE 46 4.461 -0.106 -18.984 135 2HD1 ILE 46 2HD1 ILE 46 2.915 -0.942 -18.850 136 3HD1 ILE 46 3HD1 ILE 46 3.745 -0.386 -17.397 137 H LEU 47 H LEU 47 0.913 3.786 -15.477 138 HA LEU 47 HA LEU 47 -1.514 2.711 -16.574 139 1HB LEU 47 2HB LEU 47 -0.858 4.433 -14.190 140 2HB LEU 47 1HB LEU 47 -2.531 4.113 -14.627 141 HG LEU 47 HG LEU 47 -0.738 1.750 -14.552 142 1HD1 LEU 47 1HD1 LEU 47 -1.246 3.519 -12.208 143 2HD1 LEU 47 2HD1 LEU 47 0.114 2.444 -12.531 144 3HD1 LEU 47 3HD1 LEU 47 -1.414 1.782 -11.950 145 1HD2 LEU 47 1HD2 LEU 47 -2.872 0.983 -13.231 146 2HD2 LEU 47 2HD2 LEU 47 -2.986 1.237 -14.972 147 3HD2 LEU 47 3HD2 LEU 47 -3.576 2.472 -13.860 148 H GLU 48 H GLU 48 -0.342 6.041 -16.071 149 HA GLU 48 HA GLU 48 -2.580 7.303 -17.368 150 1HB GLU 48 2HB GLU 48 0.212 8.454 -17.278 151 2HB GLU 48 1HB GLU 48 -1.318 9.324 -17.317 152 1HG GLU 48 2HG GLU 48 -0.304 7.633 -15.022 153 2HG GLU 48 1HG GLU 48 -0.334 9.385 -15.080 154 H VAL 49 H VAL 49 0.564 6.098 -18.398 155 HA VAL 49 HA VAL 49 0.556 7.130 -21.033 156 HB VAL 49 HB VAL 49 1.705 4.493 -20.055 157 1HG1 VAL 49 1HG1 VAL 49 2.667 6.154 -22.388 158 2HG1 VAL 49 2HG1 VAL 49 1.447 4.899 -22.593 159 3HG1 VAL 49 3HG1 VAL 49 3.054 4.477 -22.006 160 1HG2 VAL 49 1HG2 VAL 49 3.435 5.661 -19.155 161 2HG2 VAL 49 2HG2 VAL 49 2.351 7.050 -19.212 162 3HG2 VAL 49 3HG2 VAL 49 3.505 6.780 -20.516 163 H ILE 50 H ILE 50 -0.511 3.885 -19.894 164 HA ILE 50 HA ILE 50 -1.682 3.046 -22.350 165 HB ILE 50 HB ILE 50 -2.614 2.365 -19.544 166 1HG1 ILE 50 2HG1 ILE 50 -0.823 0.620 -21.192 167 2HG1 ILE 50 1HG1 ILE 50 -0.106 1.993 -20.349 168 1HG2 ILE 50 1HG2 ILE 50 -4.253 1.654 -21.152 169 2HG2 ILE 50 2HG2 ILE 50 -3.313 0.226 -20.718 170 3HG2 ILE 50 3HG2 ILE 50 -3.005 1.054 -22.245 171 1HD1 ILE 50 1HD1 ILE 50 -1.979 0.246 -18.812 172 2HD1 ILE 50 2HD1 ILE 50 -0.552 1.121 -18.258 173 3HD1 ILE 50 3HD1 ILE 50 -0.369 -0.383 -19.160 174 H CYS 51 H CYS 51 -2.747 5.370 -19.991 175 HA CYS 51 HA CYS 51 -5.517 5.406 -20.826 176 1HB CYS 51 2HB CYS 51 -4.433 6.259 -18.591 177 2HB CYS 51 1HB CYS 51 -4.142 7.734 -19.512 178 HG CYS 51 HG CYS 51 -6.523 7.912 -18.408 179 H LYS 52 H LYS 52 -2.647 7.407 -21.491 180 HA LYS 52 HA LYS 52 -3.873 9.339 -23.166 181 1HB LYS 52 2HB LYS 52 -1.087 8.195 -23.504 182 2HB LYS 52 1HB LYS 52 -1.659 9.750 -24.097 183 1HG LYS 52 2HG LYS 52 -1.629 10.717 -21.999 184 2HG LYS 52 1HG LYS 52 -1.907 9.186 -21.170 185 1HD LYS 52 2HD LYS 52 0.328 9.321 -20.709 186 2HD LYS 52 1HD LYS 52 0.500 8.675 -22.340 187 1HE LYS 52 2HE LYS 52 1.841 10.536 -22.552 188 2HE LYS 52 1HE LYS 52 0.292 11.265 -22.975 189 1HZ LYS 52 1HZ LYS 52 1.404 11.207 -20.225 190 2HZ LYS 52 2HZ LYS 52 0.025 12.046 -20.754 191 3HZ LYS 52 3HZ LYS 52 1.567 12.520 -21.285 192 H TYR 53 H TYR 53 -2.811 6.058 -23.846 193 HA TYR 53 HA TYR 53 -3.515 6.385 -26.710 194 1HB TYR 53 2HB TYR 53 -2.112 4.134 -25.236 195 2HB TYR 53 1HB TYR 53 -2.400 4.191 -26.963 196 HD1 TYR 53 HD1 TYR 53 -0.634 4.905 -28.303 197 HD2 TYR 53 HD2 TYR 53 -0.935 6.399 -24.296 198 HE1 TYR 53 HE1 TYR 53 1.499 6.140 -28.589 199 HE2 TYR 53 HE2 TYR 53 1.181 7.633 -24.578 200 HH TYR 53 HH TYR 53 2.516 8.564 -26.499 201 H VAL 54 H VAL 54 -4.771 5.105 -23.749 202 HA VAL 54 HA VAL 54 -7.053 3.934 -25.212 203 HB VAL 54 HB VAL 54 -5.786 2.195 -23.095 204 1HG1 VAL 54 1HG1 VAL 54 -7.137 1.208 -25.569 205 2HG1 VAL 54 2HG1 VAL 54 -8.136 1.999 -24.351 206 3HG1 VAL 54 3HG1 VAL 54 -7.195 0.569 -23.926 207 1HG2 VAL 54 1HG2 VAL 54 -3.981 2.601 -24.745 208 2HG2 VAL 54 2HG2 VAL 54 -5.076 2.146 -26.051 209 3HG2 VAL 54 3HG2 VAL 54 -4.580 0.946 -24.857 210 H GLN 55 H GLN 55 -7.644 2.577 -22.370 211 HA GLN 55 HA GLN 55 -7.858 4.783 -20.543 212 1HB GLN 55 2HB GLN 55 -9.879 4.596 -22.586 213 2HB GLN 55 1HB GLN 55 -10.614 4.278 -21.016 214 1HG GLN 55 2HG GLN 55 -9.793 6.362 -20.126 215 2HG GLN 55 1HG GLN 55 -8.805 6.646 -21.560 216 1HE2 GLN 55 1HE2 GLN 55 -11.829 7.339 -20.160 217 2HE2 GLN 55 2HE2 GLN 55 -12.627 7.875 -21.559 218 H ILE 56 H ILE 56 -7.424 3.533 -18.818 219 HA ILE 56 HA ILE 56 -9.332 1.350 -18.149 220 HB ILE 56 HB ILE 56 -7.256 0.089 -17.229 221 1HG1 ILE 56 2HG1 ILE 56 -5.707 1.194 -19.494 222 2HG1 ILE 56 1HG1 ILE 56 -5.917 2.309 -18.145 223 1HG2 ILE 56 1HG2 ILE 56 -8.767 -0.200 -19.452 224 2HG2 ILE 56 2HG2 ILE 56 -7.439 -1.285 -19.040 225 3HG2 ILE 56 3HG2 ILE 56 -7.183 0.026 -20.192 226 1HD1 ILE 56 1HD1 ILE 56 -5.097 0.535 -16.594 227 2HD1 ILE 56 2HD1 ILE 56 -3.889 0.983 -17.798 228 3HD1 ILE 56 3HD1 ILE 56 -4.806 -0.511 -17.984 229 H ASP 57 H ASP 57 -9.019 0.718 -15.776 230 HA ASP 57 HA ASP 57 -8.555 3.206 -14.216 231 1HB ASP 57 2HB ASP 57 -10.155 0.704 -13.785 232 2HB ASP 57 1HB ASP 57 -9.627 1.630 -12.381 233 HA PRO 58 HA PRO 58 -4.913 1.559 -12.309 234 1HB PRO 58 2HB PRO 58 -5.131 2.468 -9.737 235 2HB PRO 58 1HB PRO 58 -4.725 3.513 -11.107 236 1HG PRO 58 2HG PRO 58 -7.288 3.246 -9.630 237 2HG PRO 58 1HG PRO 58 -6.581 4.663 -10.421 238 1HD PRO 58 2HD PRO 58 -8.637 3.102 -11.479 239 2HD PRO 58 1HD PRO 58 -7.597 4.193 -12.419 240 H GLU 59 H GLU 59 -7.982 0.919 -10.726 241 HA GLU 59 HA GLU 59 -7.024 -1.222 -9.028 242 1HB GLU 59 2HB GLU 59 -9.825 -0.763 -10.101 243 2HB GLU 59 1HB GLU 59 -9.383 -1.742 -8.702 244 1HG GLU 59 2HG GLU 59 -8.737 0.154 -7.436 245 2HG GLU 59 1HG GLU 59 -8.669 1.186 -8.864 246 H MET 60 H MET 60 -7.455 -0.968 -12.416 247 HA MET 60 HA MET 60 -8.079 -3.822 -12.806 248 1HB MET 60 2HB MET 60 -7.698 -1.439 -14.617 249 2HB MET 60 1HB MET 60 -7.700 -3.072 -15.273 250 1HG MET 60 2HG MET 60 -9.907 -2.471 -13.389 251 2HG MET 60 1HG MET 60 -9.957 -1.584 -14.911 252 1HE MET 60 1HE MET 60 -9.958 -4.102 -17.636 253 2HE MET 60 2HE MET 60 -9.327 -2.577 -17.020 254 3HE MET 60 3HE MET 60 -11.067 -2.801 -17.180 255 H VAL 61 H VAL 61 -5.312 -1.708 -12.644 256 HA VAL 61 HA VAL 61 -3.569 -3.762 -13.898 257 HB VAL 61 HB VAL 61 -2.856 -0.981 -12.922 258 1HG1 VAL 61 1HG1 VAL 61 -0.838 -1.266 -14.193 259 2HG1 VAL 61 2HG1 VAL 61 -1.432 -2.762 -14.913 260 3HG1 VAL 61 3HG1 VAL 61 -1.018 -2.712 -13.200 261 1HG2 VAL 61 1HG2 VAL 61 -4.091 -1.985 -15.438 262 2HG2 VAL 61 2HG2 VAL 61 -2.799 -0.797 -15.616 263 3HG2 VAL 61 3HG2 VAL 61 -4.234 -0.404 -14.669 264 H THR 62 H THR 62 -2.583 -5.195 -12.560 265 HA THR 62 HA THR 62 -2.510 -4.679 -9.672 266 HB THR 62 HB THR 62 -1.396 -7.136 -11.012 267 HG1 THR 62 HG1 THR 62 -3.356 -7.845 -11.414 268 1HG2 THR 62 1HG2 THR 62 -2.823 -6.622 -8.386 269 2HG2 THR 62 2HG2 THR 62 -1.088 -6.867 -8.590 270 3HG2 THR 62 3HG2 THR 62 -2.210 -8.186 -8.926 271 H VAL 63 H VAL 63 -0.496 -4.962 -8.455 272 HA VAL 63 HA VAL 63 1.999 -4.608 -10.040 273 HB VAL 63 HB VAL 63 1.268 -2.899 -7.649 274 1HG1 VAL 63 1HG1 VAL 63 3.533 -2.708 -9.658 275 2HG1 VAL 63 2HG1 VAL 63 3.691 -3.323 -8.013 276 3HG1 VAL 63 3HG1 VAL 63 3.271 -1.632 -8.286 277 1HG2 VAL 63 1HG2 VAL 63 1.217 -1.064 -9.432 278 2HG2 VAL 63 2HG2 VAL 63 -0.151 -2.176 -9.428 279 3HG2 VAL 63 3HG2 VAL 63 1.134 -2.364 -10.622 280 H GLN 64 H GLN 64 3.638 -5.842 -9.203 281 HA GLN 64 HA GLN 64 3.582 -6.621 -6.360 282 1HB GLN 64 2HB GLN 64 3.826 -9.053 -6.991 283 2HB GLN 64 1HB GLN 64 2.235 -8.376 -7.332 284 1HG GLN 64 2HG GLN 64 4.067 -8.005 -9.580 285 2HG GLN 64 1HG GLN 64 3.891 -9.706 -9.157 286 1HE2 GLN 64 1HE2 GLN 64 2.072 -10.725 -10.016 287 2HE2 GLN 64 2HE2 GLN 64 0.689 -9.924 -10.589 288 H LEU 65 H LEU 65 5.623 -6.465 -5.606 289 HA LEU 65 HA LEU 65 7.845 -6.477 -7.556 290 1HB LEU 65 2HB LEU 65 9.141 -5.508 -5.665 291 2HB LEU 65 1HB LEU 65 7.745 -4.534 -6.104 292 HG LEU 65 HG LEU 65 7.201 -6.616 -4.077 293 1HD1 LEU 65 1HD1 LEU 65 8.205 -5.056 -2.285 294 2HD1 LEU 65 2HD1 LEU 65 9.169 -4.376 -3.596 295 3HD1 LEU 65 3HD1 LEU 65 9.328 -6.082 -3.177 296 1HD2 LEU 65 1HD2 LEU 65 5.863 -4.481 -5.006 297 2HD2 LEU 65 2HD2 LEU 65 6.718 -3.698 -3.677 298 3HD2 LEU 65 3HD2 LEU 65 5.653 -5.067 -3.356 299 H GLU 66 H GLU 66 9.634 -7.822 -7.306 300 HA GLU 66 HA GLU 66 9.491 -9.912 -5.190 301 1HB GLU 66 2HB GLU 66 9.679 -10.303 -8.176 302 2HB GLU 66 1HB GLU 66 10.327 -11.513 -7.070 303 1HG GLU 66 2HG GLU 66 7.475 -10.486 -7.100 304 2HG GLU 66 1HG GLU 66 8.006 -12.038 -7.740 305 H GLN 67 H GLN 67 11.731 -11.226 -5.412 306 HA GLN 67 HA GLN 67 13.945 -9.442 -6.226 307 1HB GLN 67 2HB GLN 67 13.408 -10.284 -3.370 308 2HB GLN 67 1HB GLN 67 15.003 -9.769 -3.919 309 1HG GLN 67 2HG GLN 67 14.088 -7.613 -4.642 310 2HG GLN 67 1HG GLN 67 12.467 -8.124 -4.168 311 1HE2 GLN 67 1HE2 GLN 67 12.148 -6.628 -2.436 312 2HE2 GLN 67 2HE2 GLN 67 13.103 -6.623 -1.033 313 H LYS 68 H LYS 68 16.026 -10.559 -6.206 314 HA LYS 68 HA LYS 68 15.717 -13.535 -6.316 315 1HB LYS 68 2HB LYS 68 17.619 -11.741 -7.857 316 2HB LYS 68 1HB LYS 68 17.556 -13.499 -7.974 317 1HG LYS 68 2HG LYS 68 15.751 -13.451 -9.341 318 2HG LYS 68 1HG LYS 68 14.928 -12.250 -8.347 319 1HD LYS 68 2HD LYS 68 15.382 -11.304 -10.555 320 2HD LYS 68 1HD LYS 68 16.370 -10.480 -9.349 321 1HE LYS 68 2HE LYS 68 17.734 -11.020 -11.311 322 2HE LYS 68 1HE LYS 68 18.275 -11.968 -9.927 323 1HZ LYS 68 1HZ LYS 68 17.951 -13.185 -12.113 324 2HZ LYS 68 2HZ LYS 68 16.283 -13.013 -11.845 325 3HZ LYS 68 3HZ LYS 68 17.239 -13.877 -10.738 326 H ASP 69 H ASP 69 17.824 -14.701 -5.834 327 HA ASP 69 HA ASP 69 18.953 -13.655 -3.365 328 1HB ASP 69 2HB ASP 69 18.409 -16.100 -3.807 329 2HB ASP 69 1HB ASP 69 19.817 -16.133 -4.869 330 H GLY 70 H GLY 70 19.719 -11.758 -4.982 331 1HA GLY 70 2HA GLY 70 22.609 -11.975 -5.109 332 2HA GLY 70 1HA GLY 70 21.882 -11.974 -6.717 333 H ASP 71 H ASP 71 20.510 -10.234 -3.991 334 HA ASP 71 HA ASP 71 20.119 -7.952 -3.655 335 1HB ASP 71 2HB ASP 71 22.817 -7.940 -5.002 336 2HB ASP 71 1HB ASP 71 22.002 -6.428 -4.610 337 H ILE 72 H ILE 72 18.749 -9.143 -5.743 338 HA ILE 72 HA ILE 72 18.635 -6.925 -7.742 339 HB ILE 72 HB ILE 72 17.956 -9.809 -8.348 340 1HG1 ILE 72 2HG1 ILE 72 20.596 -8.339 -8.653 341 2HG1 ILE 72 1HG1 ILE 72 20.299 -9.806 -7.736 342 1HG2 ILE 72 1HG2 ILE 72 18.654 -7.436 -10.114 343 2HG2 ILE 72 2HG2 ILE 72 17.015 -8.006 -9.797 344 3HG2 ILE 72 3HG2 ILE 72 18.151 -9.033 -10.670 345 1HD1 ILE 72 1HD1 ILE 72 19.438 -10.299 -10.411 346 2HD1 ILE 72 2HD1 ILE 72 20.787 -11.038 -9.552 347 3HD1 ILE 72 3HD1 ILE 72 21.040 -9.569 -10.494 348 H SER 73 H SER 73 16.461 -6.523 -8.591 349 HA SER 73 HA SER 73 14.303 -7.552 -6.789 350 1HB SER 73 2HB SER 73 14.371 -4.817 -8.088 351 2HB SER 73 1HB SER 73 13.245 -5.392 -6.862 352 HG SER 73 HG SER 73 14.647 -4.644 -5.494 353 H ILE 74 H ILE 74 12.086 -7.254 -7.868 354 HA ILE 74 HA ILE 74 12.129 -7.422 -10.816 355 HB ILE 74 HB ILE 74 11.268 -9.689 -9.000 356 1HG1 ILE 74 2HG1 ILE 74 13.326 -9.470 -11.216 357 2HG1 ILE 74 1HG1 ILE 74 13.650 -9.663 -9.499 358 1HG2 ILE 74 1HG2 ILE 74 9.732 -10.287 -10.539 359 2HG2 ILE 74 2HG2 ILE 74 11.015 -10.427 -11.740 360 3HG2 ILE 74 3HG2 ILE 74 10.158 -8.900 -11.539 361 1HD1 ILE 74 1HD1 ILE 74 13.632 -11.892 -9.811 362 2HD1 ILE 74 2HD1 ILE 74 13.081 -11.703 -11.474 363 3HD1 ILE 74 3HD1 ILE 74 11.908 -11.777 -10.160 364 H LEU 75 H LEU 75 10.837 -5.489 -10.651 365 HA LEU 75 HA LEU 75 8.316 -5.567 -9.176 366 1HB LEU 75 2HB LEU 75 9.765 -3.490 -9.490 367 2HB LEU 75 1HB LEU 75 9.200 -3.470 -11.155 368 HG LEU 75 HG LEU 75 6.843 -3.781 -9.737 369 1HD1 LEU 75 1HD1 LEU 75 7.299 -1.598 -8.191 370 2HD1 LEU 75 2HD1 LEU 75 8.869 -2.393 -8.070 371 3HD1 LEU 75 3HD1 LEU 75 7.407 -3.250 -7.586 372 1HD2 LEU 75 1HD2 LEU 75 6.863 -1.119 -10.114 373 2HD2 LEU 75 2HD2 LEU 75 6.715 -2.252 -11.457 374 3HD2 LEU 75 3HD2 LEU 75 8.281 -1.534 -11.076 375 H GLU 76 H GLU 76 6.853 -6.945 -10.063 376 HA GLU 76 HA GLU 76 6.419 -6.858 -13.009 377 1HB GLU 76 2HB GLU 76 5.249 -8.797 -10.990 378 2HB GLU 76 1HB GLU 76 5.242 -8.959 -12.745 379 1HG GLU 76 2HG GLU 76 7.496 -9.522 -12.840 380 2HG GLU 76 1HG GLU 76 7.878 -8.686 -11.337 381 H LEU 77 H LEU 77 4.360 -6.278 -13.829 382 HA LEU 77 HA LEU 77 2.288 -5.517 -11.833 383 1HB LEU 77 2HB LEU 77 1.876 -3.400 -13.161 384 2HB LEU 77 1HB LEU 77 3.382 -3.418 -12.247 385 HG LEU 77 HG LEU 77 3.398 -4.383 -15.087 386 1HD1 LEU 77 1HD1 LEU 77 3.012 -1.577 -14.133 387 2HD1 LEU 77 2HD1 LEU 77 2.412 -2.355 -15.598 388 3HD1 LEU 77 3HD1 LEU 77 4.099 -1.850 -15.495 389 1HD2 LEU 77 1HD2 LEU 77 5.494 -4.661 -14.098 390 2HD2 LEU 77 2HD2 LEU 77 5.310 -3.237 -13.076 391 3HD2 LEU 77 3HD2 LEU 77 5.664 -3.050 -14.794 392 H ASN 78 H ASN 78 0.329 -6.262 -12.451 393 HA ASN 78 HA ASN 78 0.028 -7.443 -15.138 394 1HB ASN 78 2HB ASN 78 -2.032 -7.330 -12.930 395 2HB ASN 78 1HB ASN 78 -1.931 -8.470 -14.257 396 1HD2 ASN 78 1HD2 ASN 78 1.044 -8.853 -13.909 397 2HD2 ASN 78 2HD2 ASN 78 1.213 -9.797 -12.511 398 H VAL 79 H VAL 79 -1.432 -6.638 -16.670 399 HA VAL 79 HA VAL 79 -2.813 -4.089 -15.932 400 HB VAL 79 HB VAL 79 -1.701 -4.751 -18.665 401 1HG1 VAL 79 1HG1 VAL 79 -2.541 -2.116 -17.437 402 2HG1 VAL 79 2HG1 VAL 79 -3.603 -3.111 -18.434 403 3HG1 VAL 79 3HG1 VAL 79 -2.133 -2.423 -19.126 404 1HG2 VAL 79 1HG2 VAL 79 -0.495 -2.823 -16.669 405 2HG2 VAL 79 2HG2 VAL 79 0.218 -3.426 -18.164 406 3HG2 VAL 79 3HG2 VAL 79 0.040 -4.499 -16.777 407 H THR 80 H THR 80 -4.786 -5.184 -15.534 408 HA THR 80 HA THR 80 -5.948 -6.962 -17.536 409 HB THR 80 HB THR 80 -7.293 -5.627 -15.171 410 HG1 THR 80 HG1 THR 80 -6.799 -7.665 -14.169 411 1HG2 THR 80 1HG2 THR 80 -9.016 -6.537 -16.444 412 2HG2 THR 80 2HG2 THR 80 -8.596 -7.903 -15.410 413 3HG2 THR 80 3HG2 THR 80 -8.003 -7.838 -17.069 414 H LEU 81 H LEU 81 -6.340 -5.893 -19.465 415 HA LEU 81 HA LEU 81 -7.623 -3.239 -19.452 416 1HB LEU 81 2HB LEU 81 -6.572 -5.086 -21.604 417 2HB LEU 81 1HB LEU 81 -7.498 -3.641 -21.994 418 HG LEU 81 HG LEU 81 -5.251 -3.310 -20.072 419 1HD1 LEU 81 1HD1 LEU 81 -4.830 -3.671 -23.055 420 2HD1 LEU 81 2HD1 LEU 81 -4.285 -4.790 -21.805 421 3HD1 LEU 81 3HD1 LEU 81 -3.603 -3.166 -21.893 422 1HD2 LEU 81 1HD2 LEU 81 -5.642 -1.584 -22.459 423 2HD2 LEU 81 2HD2 LEU 81 -5.362 -1.132 -20.778 424 3HD2 LEU 81 3HD2 LEU 81 -6.975 -1.611 -21.305 425 HA PRO 82 HA PRO 82 -11.653 -5.195 -19.900 426 1HB PRO 82 2HB PRO 82 -13.107 -2.912 -20.232 427 2HB PRO 82 1HB PRO 82 -12.462 -3.429 -18.668 428 1HG PRO 82 2HG PRO 82 -11.605 -1.213 -20.402 429 2HG PRO 82 1HG PRO 82 -11.363 -1.445 -18.666 430 1HD PRO 82 2HD PRO 82 -9.459 -1.884 -20.759 431 2HD PRO 82 1HD PRO 82 -9.256 -2.210 -19.024 432 H GLU 83 H GLU 83 -13.666 -4.693 -21.514 433 HA GLU 83 HA GLU 83 -12.799 -5.352 -24.142 434 1HB GLU 83 2HB GLU 83 -15.342 -4.798 -22.787 435 2HB GLU 83 1HB GLU 83 -15.345 -4.281 -24.472 436 1HG GLU 83 2HG GLU 83 -14.563 -6.525 -25.157 437 2HG GLU 83 1HG GLU 83 -14.592 -7.042 -23.471 438 H ALA 84 H ALA 84 -14.074 -3.763 -25.954 439 HA ALA 84 HA ALA 84 -13.779 -0.955 -25.605 440 1HB ALA 84 1HB ALA 84 -11.408 -1.291 -25.445 441 2HB ALA 84 2HB ALA 84 -11.715 -0.681 -27.071 442 3HB ALA 84 3HB ALA 84 -11.411 -2.399 -26.816 443 H GLU 85 H GLU 85 -14.678 0.098 -27.362 444 HA GLU 85 HA GLU 85 -14.669 -0.857 -30.046 445 1HB GLU 85 2HB GLU 85 -16.131 -2.625 -29.024 446 2HB GLU 85 1HB GLU 85 -17.271 -1.357 -28.572 447 1HG GLU 85 2HG GLU 85 -17.452 -0.708 -30.970 448 2HG GLU 85 1HG GLU 85 -16.390 -2.053 -31.389 449 H GLU 86 H GLU 86 -16.487 0.923 -27.574 450 HA GLU 86 HA GLU 86 -17.834 2.740 -29.290 451 1HB GLU 86 2HB GLU 86 -18.031 2.375 -26.710 452 2HB GLU 86 1HB GLU 86 -16.753 3.588 -26.613 453 1HG GLU 86 2HG GLU 86 -18.107 5.280 -27.393 454 2HG GLU 86 1HG GLU 86 -19.080 4.189 -28.381 455 H LEU 87 H LEU 87 -14.485 2.555 -28.340 456 HA LEU 87 HA LEU 87 -13.922 5.315 -29.222 457 1HB LEU 87 2HB LEU 87 -12.685 3.476 -27.453 458 2HB LEU 87 1HB LEU 87 -11.553 3.700 -28.783 459 HG LEU 87 HG LEU 87 -11.156 5.358 -27.005 460 1HD1 LEU 87 1HD1 LEU 87 -12.375 6.541 -29.518 461 2HD1 LEU 87 2HD1 LEU 87 -10.702 6.021 -29.321 462 3HD1 LEU 87 3HD1 LEU 87 -11.310 7.400 -28.406 463 1HD2 LEU 87 1HD2 LEU 87 -13.747 6.724 -27.595 464 2HD2 LEU 87 2HD2 LEU 87 -12.796 6.715 -26.110 465 3HD2 LEU 87 3HD2 LEU 87 -13.791 5.321 -26.528 466 H LYS 88 HN LYS 88 -13.124 5.817 -31.226 467 HA LYS 88 HA LYS 88 -12.410 3.536 -33.029 468 1HB LYS 88 2HB LYS 88 -13.948 6.080 -33.587 469 2HB LYS 88 1HB LYS 88 -13.218 5.124 -34.879 470 1HG LYS 88 2HG LYS 88 -14.472 3.139 -33.593 471 2HG LYS 88 1HG LYS 88 -15.527 4.467 -33.107 472 1HD LYS 88 2HD LYS 88 -14.731 4.146 -35.992 473 2HD LYS 88 1HD LYS 88 -16.059 3.196 -35.325 474 1HE LYS 88 2HE LYS 88 -17.402 5.048 -34.988 475 2HE LYS 88 1HE LYS 88 -16.029 6.136 -34.781 476 1HZ LYS 88 1HZ LYS 88 -16.904 6.667 -36.860 477 2HZ LYS 88 2HZ LYS 88 -17.144 5.041 -37.291 478 3HZ LYS 88 3HZ LYS 88 -15.572 5.682 -37.221 479 1H ARG 31 1H ARG 31 3.608 -11.693 -34.158 480 2H ARG 31 2H ARG 31 4.854 -10.648 -34.653 481 3H ARG 31 3H ARG 31 3.240 -10.304 -35.060 482 HA ARG 31 HA ARG 31 4.210 -10.441 -32.263 483 1HB ARG 31 2HB ARG 31 5.136 -8.594 -33.979 484 2HB ARG 31 1HB ARG 31 3.591 -7.840 -33.583 485 1HG ARG 31 2HG ARG 31 4.286 -8.411 -31.104 486 2HG ARG 31 1HG ARG 31 5.913 -8.453 -31.784 487 1HD ARG 31 2HD ARG 31 5.134 -6.165 -32.894 488 2HD ARG 31 1HD ARG 31 4.028 -6.145 -31.521 489 HE ARG 31 HE ARG 31 5.868 -5.739 -30.107 490 1HH1 ARG 31 1HH2 ARG 31 6.968 -6.891 -33.220 491 2HH1 ARG 31 2HH2 ARG 31 8.632 -6.601 -32.852 492 1HH2 ARG 31 1HH1 ARG 31 8.033 -5.379 -29.673 493 2HH2 ARG 31 2HH1 ARG 31 9.231 -5.754 -30.866 494 H SER 32 H SER 32 2.273 -11.308 -31.486 495 HA SER 32 HA SER 32 -0.334 -10.642 -32.400 496 1HB SER 32 2HB SER 32 0.246 -11.351 -29.535 497 2HB SER 32 1HB SER 32 -1.144 -11.797 -30.520 498 HG SER 32 HG SER 32 1.440 -12.858 -30.449 499 H ASP 33 H ASP 33 1.874 -8.872 -30.374 500 HA ASP 33 HA ASP 33 -0.234 -7.177 -29.261 501 1HB ASP 33 2HB ASP 33 2.759 -6.789 -29.100 502 2HB ASP 33 1HB ASP 33 1.533 -6.035 -28.080 503 H ALA 34 H ALA 34 0.728 -7.318 -32.293 504 HA ALA 34 HA ALA 34 1.378 -4.487 -32.707 505 1HB ALA 34 1HB ALA 34 1.586 -5.135 -35.084 506 2HB ALA 34 2HB ALA 34 1.021 -6.756 -34.683 507 3HB ALA 34 3HB ALA 34 2.562 -6.178 -34.050 508 H GLU 35 H GLU 35 -1.382 -6.541 -32.620 509 HA GLU 35 HA GLU 35 -3.093 -5.364 -34.520 510 1HB GLU 35 2HB GLU 35 -3.922 -6.401 -31.797 511 2HB GLU 35 1HB GLU 35 -4.928 -6.280 -33.235 512 1HG GLU 35 2HG GLU 35 -2.455 -7.788 -33.713 513 2HG GLU 35 1HG GLU 35 -3.468 -8.514 -32.467 514 HA PRO 36 HA PRO 36 -4.351 -2.057 -31.297 515 1HB PRO 36 2HB PRO 36 -2.915 -1.836 -28.985 516 2HB PRO 36 1HB PRO 36 -4.304 -2.915 -29.168 517 1HG PRO 36 2HG PRO 36 -1.453 -3.568 -28.948 518 2HG PRO 36 1HG PRO 36 -2.868 -4.589 -28.661 519 1HD PRO 36 2HD PRO 36 -1.176 -4.538 -30.977 520 2HD PRO 36 1HD PRO 36 -2.601 -5.547 -30.698 521 H HIS 37 H HIS 37 -0.817 -2.564 -31.159 522 HA HIS 37 HA HIS 37 0.941 -1.205 -31.872 523 1HB HIS 37 2HB HIS 37 -0.907 -0.545 -33.665 524 2HB HIS 37 1HB HIS 37 -0.887 0.981 -32.780 525 HD1 HIS 37 HD1 HIS 37 1.359 2.331 -32.768 526 HD2 HIS 37 HD2 HIS 37 1.436 -1.081 -35.163 527 HE1 HIS 37 HE1 HIS 37 3.427 2.519 -34.217 528 H TYR 38 H TYR 38 -1.122 -0.527 -29.408 529 HA TYR 38 HA TYR 38 0.493 1.841 -28.577 530 1HB TYR 38 2HB TYR 38 -1.518 2.423 -27.119 531 2HB TYR 38 1HB TYR 38 -1.735 2.663 -28.850 532 HD1 TYR 38 HD1 TYR 38 -3.309 1.356 -30.108 533 HD2 TYR 38 HD2 TYR 38 -2.510 0.428 -25.991 534 HE1 TYR 38 HE1 TYR 38 -5.270 -0.161 -30.070 535 HE2 TYR 38 HE2 TYR 38 -4.470 -1.091 -25.954 536 HH TYR 38 HH TYR 38 -6.101 -2.057 -28.814 537 H LEU 39 H LEU 39 -1.124 -1.148 -27.595 538 HA LEU 39 HA LEU 39 -0.557 -1.245 -24.865 539 1HB LEU 39 2HB LEU 39 -1.387 -3.052 -26.866 540 2HB LEU 39 1HB LEU 39 0.000 -3.817 -26.098 541 HG LEU 39 HG LEU 39 -2.036 -4.461 -24.907 542 1HD1 LEU 39 1HD1 LEU 39 -1.363 -3.954 -22.698 543 2HD1 LEU 39 2HD1 LEU 39 -0.756 -2.363 -23.154 544 3HD1 LEU 39 3HD1 LEU 39 0.129 -3.812 -23.629 545 1HD2 LEU 39 1HD2 LEU 39 -3.110 -2.340 -23.645 546 2HD2 LEU 39 2HD2 LEU 39 -3.682 -2.889 -25.220 547 3HD2 LEU 39 3HD2 LEU 39 -2.556 -1.536 -25.113 548 HA PRO 40 HA PRO 40 3.861 -2.952 -25.789 549 1HB PRO 40 2HB PRO 40 4.791 -2.790 -28.357 550 2HB PRO 40 1HB PRO 40 3.938 -4.198 -27.709 551 1HG PRO 40 2HG PRO 40 2.968 -2.089 -29.553 552 2HG PRO 40 1HG PRO 40 2.505 -3.790 -29.432 553 1HD PRO 40 2HD PRO 40 1.024 -1.639 -28.453 554 2HD PRO 40 1HD PRO 40 0.809 -3.335 -27.971 555 H GLN 41 H GLN 41 2.596 -0.067 -27.216 556 HA GLN 41 HA GLN 41 5.127 1.379 -27.355 557 1HB GLN 41 2HB GLN 41 3.229 2.014 -28.797 558 2HB GLN 41 1HB GLN 41 2.243 2.342 -27.375 559 1HG GLN 41 2HG GLN 41 3.126 4.444 -28.245 560 2HG GLN 41 1HG GLN 41 3.880 4.096 -26.689 561 1HE2 GLN 41 1HE2 GLN 41 5.951 5.033 -27.002 562 2HE2 GLN 41 2HE2 GLN 41 7.015 4.568 -28.240 563 H LEU 42 H LEU 42 2.533 0.880 -25.031 564 HA LEU 42 HA LEU 42 3.430 2.933 -23.208 565 1HB LEU 42 2HB LEU 42 1.574 0.574 -22.806 566 2HB LEU 42 1HB LEU 42 1.834 1.842 -21.633 567 HG LEU 42 HG LEU 42 0.250 3.115 -22.592 568 1HD1 LEU 42 1HD1 LEU 42 2.034 3.905 -24.217 569 2HD1 LEU 42 2HD1 LEU 42 0.376 4.035 -24.796 570 3HD1 LEU 42 3HD1 LEU 42 1.400 2.724 -25.362 571 1HD2 LEU 42 1HD2 LEU 42 0.029 0.632 -24.249 572 2HD2 LEU 42 2HD2 LEU 42 -0.975 2.025 -24.649 573 3HD2 LEU 42 3HD2 LEU 42 -1.092 1.282 -23.054 574 H ARG 43 H ARG 43 3.747 -0.622 -23.396 575 HA ARG 43 HA ARG 43 5.122 -0.941 -20.916 576 1HB ARG 43 2HB ARG 43 5.789 -3.115 -21.743 577 2HB ARG 43 1HB ARG 43 4.149 -2.811 -22.276 578 1HG ARG 43 2HG ARG 43 5.031 -2.074 -24.479 579 2HG ARG 43 1HG ARG 43 6.654 -2.503 -23.945 580 1HD ARG 43 2HD ARG 43 5.682 -4.834 -23.438 581 2HD ARG 43 1HD ARG 43 4.300 -4.333 -24.412 582 HE ARG 43 HE ARG 43 6.849 -3.906 -25.760 583 1HH1 ARG 43 1HH2 ARG 43 4.320 -6.220 -25.066 584 2HH1 ARG 43 2HH2 ARG 43 4.669 -7.172 -26.467 585 1HH2 ARG 43 2HH1 ARG 43 7.266 -5.167 -27.559 586 2HH2 ARG 43 1HH1 ARG 43 6.319 -6.585 -27.864 587 H LYS 44 H LYS 44 6.352 -0.364 -24.228 588 HA LYS 44 HA LYS 44 9.094 -0.414 -23.454 589 1HB LYS 44 2HB LYS 44 9.557 0.590 -25.607 590 2HB LYS 44 1HB LYS 44 8.274 -0.589 -25.826 591 1HG LYS 44 2HG LYS 44 6.600 1.185 -25.812 592 2HG LYS 44 1HG LYS 44 7.835 2.391 -25.475 593 1HD LYS 44 2HD LYS 44 7.317 2.416 -27.862 594 2HD LYS 44 1HD LYS 44 8.952 1.800 -27.624 595 1HE LYS 44 2HE LYS 44 8.133 -0.508 -27.823 596 2HE LYS 44 1HE LYS 44 6.483 0.082 -28.014 597 1HZ LYS 44 1HZ LYS 44 7.836 -0.467 -30.102 598 2HZ LYS 44 2HZ LYS 44 8.629 1.008 -29.811 599 3HZ LYS 44 3HZ LYS 44 6.951 0.980 -30.077 600 H ASP 45 H ASP 45 6.580 2.040 -23.353 601 HA ASP 45 HA ASP 45 8.269 4.299 -22.902 602 1HB ASP 45 2HB ASP 45 5.399 3.703 -22.196 603 2HB ASP 45 1HB ASP 45 6.165 5.225 -21.771 604 H ILE 46 H ILE 46 6.588 2.071 -20.637 605 HA ILE 46 HA ILE 46 7.521 3.303 -18.248 606 HB ILE 46 HB ILE 46 5.731 1.521 -18.395 607 1HG1 ILE 46 2HG1 ILE 46 7.952 0.992 -16.400 608 2HG1 ILE 46 1HG1 ILE 46 6.786 2.308 -16.273 609 1HG2 ILE 46 1HG2 ILE 46 6.998 -0.836 -17.909 610 2HG2 ILE 46 2HG2 ILE 46 8.071 -0.144 -19.116 611 3HG2 ILE 46 3HG2 ILE 46 6.368 -0.365 -19.482 612 1HD1 ILE 46 1HD1 ILE 46 5.091 0.922 -15.638 613 2HD1 ILE 46 2HD1 ILE 46 6.412 -0.138 -15.147 614 3HD1 ILE 46 3HD1 ILE 46 5.619 -0.381 -16.703 615 H LEU 47 H LEU 47 9.130 1.151 -20.504 616 HA LEU 47 HA LEU 47 11.344 0.441 -18.818 617 1HB LEU 47 2HB LEU 47 10.903 0.526 -21.798 618 2HB LEU 47 1HB LEU 47 12.497 0.178 -21.140 619 HG LEU 47 HG LEU 47 10.243 -1.333 -19.939 620 1HD1 LEU 47 1HD1 LEU 47 10.949 -1.435 -22.832 621 2HD1 LEU 47 2HD1 LEU 47 9.418 -1.796 -22.036 622 3HD1 LEU 47 3HD1 LEU 47 10.727 -2.978 -22.009 623 1HD2 LEU 47 1HD2 LEU 47 12.068 -3.160 -20.405 624 2HD2 LEU 47 2HD2 LEU 47 12.354 -1.963 -19.142 625 3HD2 LEU 47 3HD2 LEU 47 13.114 -1.776 -20.723 626 H GLU 48 H GLU 48 10.873 2.995 -21.261 627 HA GLU 48 HA GLU 48 13.412 4.269 -20.800 628 1HB GLU 48 2HB GLU 48 10.928 5.707 -21.744 629 2HB GLU 48 1HB GLU 48 12.606 6.086 -22.116 630 1HG GLU 48 2HG GLU 48 11.100 3.631 -23.045 631 2HG GLU 48 1HG GLU 48 11.504 5.028 -24.025 632 H VAL 49 H VAL 49 10.164 4.599 -19.482 633 HA VAL 49 HA VAL 49 10.575 6.950 -17.963 634 HB VAL 49 HB VAL 49 8.827 4.559 -17.282 635 1HG1 VAL 49 1HG1 VAL 49 8.404 7.431 -16.444 636 2HG1 VAL 49 2HG1 VAL 49 9.342 6.313 -15.456 637 3HG1 VAL 49 3HG1 VAL 49 7.645 5.978 -15.794 638 1HG2 VAL 49 1HG2 VAL 49 7.326 5.310 -18.815 639 2HG2 VAL 49 2HG2 VAL 49 8.681 6.199 -19.509 640 3HG2 VAL 49 3HG2 VAL 49 7.590 6.998 -18.379 641 H ILE 50 H ILE 50 10.847 3.521 -16.901 642 HA ILE 50 HA ILE 50 11.982 4.059 -14.346 643 HB ILE 50 HB ILE 50 12.550 1.681 -16.144 644 1HG1 ILE 50 2HG1 ILE 50 10.550 1.666 -13.915 645 2HG1 ILE 50 1HG1 ILE 50 10.084 2.395 -15.452 646 1HG2 ILE 50 1HG2 ILE 50 14.110 1.723 -14.314 647 2HG2 ILE 50 2HG2 ILE 50 12.861 0.552 -13.892 648 3HG2 ILE 50 3HG2 ILE 50 12.843 2.161 -13.169 649 1HD1 ILE 50 1HD1 ILE 50 11.432 -0.269 -15.534 650 2HD1 ILE 50 2HD1 ILE 50 10.187 0.392 -16.594 651 3HD1 ILE 50 3HD1 ILE 50 9.753 -0.214 -14.996 652 H CYS 51 H CYS 51 13.348 4.263 -17.539 653 HA CYS 51 HA CYS 51 16.115 4.195 -16.693 654 1HB CYS 51 2HB CYS 51 15.082 3.778 -19.072 655 2HB CYS 51 1HB CYS 51 15.176 5.534 -19.215 656 HG CYS 51 HG CYS 51 17.457 4.520 -20.044 657 H LYS 52 H LYS 52 13.788 6.757 -17.533 658 HA LYS 52 HA LYS 52 15.509 8.990 -17.230 659 1HB LYS 52 2HB LYS 52 12.575 8.885 -16.480 660 2HB LYS 52 1HB LYS 52 13.503 10.327 -16.876 661 1HG LYS 52 2HG LYS 52 13.532 9.857 -19.137 662 2HG LYS 52 1HG LYS 52 13.421 8.115 -18.887 663 1HD LYS 52 2HD LYS 52 11.239 8.423 -19.495 664 2HD LYS 52 1HD LYS 52 11.047 8.913 -17.811 665 1HE LYS 52 2HE LYS 52 10.150 10.775 -18.828 666 2HE LYS 52 1HE LYS 52 11.844 11.265 -18.806 667 1HZ LYS 52 1HZ LYS 52 10.555 9.840 -21.067 668 2HZ LYS 52 2HZ LYS 52 12.115 10.514 -21.037 669 3HZ LYS 52 3HZ LYS 52 10.749 11.524 -20.995 670 H TYR 53 H TYR 53 13.826 7.052 -14.829 671 HA TYR 53 HA TYR 53 14.781 8.839 -12.662 672 1HB TYR 53 2HB TYR 53 12.834 6.512 -12.627 673 2HB TYR 53 1HB TYR 53 13.248 7.510 -11.247 674 HD1 TYR 53 HD1 TYR 53 11.771 9.229 -10.711 675 HD2 TYR 53 HD2 TYR 53 12.101 7.980 -14.798 676 HE1 TYR 53 HE1 TYR 53 9.974 10.814 -11.353 677 HE2 TYR 53 HE2 TYR 53 10.320 9.557 -15.442 678 HH TYR 53 HH TYR 53 9.350 11.696 -14.534 679 H VAL 54 H VAL 54 15.528 5.834 -14.211 680 HA VAL 54 HA VAL 54 17.606 5.295 -12.184 681 HB VAL 54 HB VAL 54 15.855 2.962 -12.959 682 1HG1 VAL 54 1HG1 VAL 54 17.135 3.357 -10.289 683 2HG1 VAL 54 2HG1 VAL 54 18.192 3.049 -11.667 684 3HG1 VAL 54 3HG1 VAL 54 16.942 1.881 -11.235 685 1HG2 VAL 54 1HG2 VAL 54 14.297 4.631 -11.993 686 2HG2 VAL 54 2HG2 VAL 54 15.358 4.810 -10.595 687 3HG2 VAL 54 3HG2 VAL 54 14.537 3.277 -10.888 688 H GLN 55 H GLN 55 17.696 2.441 -13.637 689 HA GLN 55 HA GLN 55 18.245 3.046 -16.391 690 1HB GLN 55 2HB GLN 55 20.318 3.671 -14.493 691 2HB GLN 55 1HB GLN 55 20.857 2.345 -15.521 692 1HG GLN 55 2HG GLN 55 20.436 3.625 -17.520 693 2HG GLN 55 1HG GLN 55 19.634 4.898 -16.600 694 1HE2 GLN 55 1HE2 GLN 55 22.630 3.977 -17.924 695 2HE2 GLN 55 2HE2 GLN 55 23.620 5.047 -17.054 696 H ILE 56 H ILE 56 17.436 1.148 -17.078 697 HA ILE 56 HA ILE 56 18.787 -1.354 -16.203 698 HB ILE 56 HB ILE 56 16.432 -2.439 -16.349 699 1HG1 ILE 56 2HG1 ILE 56 15.314 0.082 -15.280 700 2HG1 ILE 56 1HG1 ILE 56 15.661 0.116 -17.008 701 1HG2 ILE 56 1HG2 ILE 56 17.999 -1.680 -14.282 702 2HG2 ILE 56 2HG2 ILE 56 16.445 -2.488 -14.070 703 3HG2 ILE 56 3HG2 ILE 56 16.554 -0.733 -13.928 704 1HD1 ILE 56 1HD1 ILE 56 14.377 -2.006 -17.274 705 2HD1 ILE 56 2HD1 ILE 56 13.378 -0.693 -16.651 706 3HD1 ILE 56 3HD1 ILE 56 13.969 -1.946 -15.560 707 H ASP 57 H ASP 57 18.182 -3.175 -17.768 708 HA ASP 57 HA ASP 57 18.148 -2.049 -20.519 709 1HB ASP 57 2HB ASP 57 19.147 -4.595 -19.286 710 2HB ASP 57 1HB ASP 57 18.730 -4.585 -20.999 711 HA PRO 58 HA PRO 58 14.115 -3.684 -21.344 712 1HB PRO 58 2HB PRO 58 14.341 -4.530 -23.937 713 2HB PRO 58 1HB PRO 58 14.262 -2.823 -23.474 714 1HG PRO 58 2HG PRO 58 16.601 -4.442 -24.329 715 2HG PRO 58 1HG PRO 58 16.268 -2.721 -24.573 716 1HD PRO 58 2HD PRO 58 18.014 -3.755 -22.659 717 2HD PRO 58 1HD PRO 58 17.297 -2.130 -22.614 718 H GLU 59 H GLU 59 16.861 -5.764 -22.030 719 HA GLU 59 HA GLU 59 15.355 -8.230 -22.210 720 1HB GLU 59 2HB GLU 59 18.257 -7.835 -21.418 721 2HB GLU 59 1HB GLU 59 17.521 -9.328 -22.002 722 1HG GLU 59 2HG GLU 59 17.204 -8.453 -24.181 723 2HG GLU 59 1HG GLU 59 17.457 -6.793 -23.641 724 H MET 60 H MET 60 16.066 -6.133 -19.596 725 HA MET 60 HA MET 60 16.096 -8.266 -17.563 726 1HB MET 60 2HB MET 60 16.356 -5.261 -17.528 727 2HB MET 60 1HB MET 60 16.058 -6.152 -16.040 728 1HG MET 60 2HG MET 60 18.205 -7.256 -17.758 729 2HG MET 60 1HG MET 60 18.548 -5.680 -17.048 730 1HE MET 60 1HE MET 60 18.206 -6.047 -13.372 731 2HE MET 60 2HE MET 60 17.871 -5.084 -14.808 732 3HE MET 60 3HE MET 60 19.531 -5.533 -14.426 733 H VAL 61 H VAL 61 13.835 -6.123 -19.127 734 HA VAL 61 HA VAL 61 11.789 -6.622 -17.031 735 HB VAL 61 HB VAL 61 11.615 -4.872 -19.502 736 1HG1 VAL 61 1HG1 VAL 61 9.676 -3.920 -18.451 737 2HG1 VAL 61 2HG1 VAL 61 9.989 -4.792 -16.950 738 3HG1 VAL 61 3HG1 VAL 61 9.476 -5.672 -18.390 739 1HG2 VAL 61 1HG2 VAL 61 12.782 -4.440 -16.797 740 2HG2 VAL 61 2HG2 VAL 61 11.787 -3.134 -17.441 741 3HG2 VAL 61 3HG2 VAL 61 13.202 -3.688 -18.336 742 H THR 62 H THR 62 10.431 -8.319 -17.338 743 HA THR 62 HA THR 62 10.267 -9.596 -19.975 744 HB THR 62 HB THR 62 8.754 -10.493 -17.529 745 HG1 THR 62 HG1 THR 62 10.542 -11.225 -16.653 746 1HG2 THR 62 1HG2 THR 62 10.070 -11.935 -19.849 747 2HG2 THR 62 2HG2 THR 62 8.342 -11.639 -19.663 748 3HG2 THR 62 3HG2 THR 62 9.180 -12.710 -18.539 749 H VAL 63 H VAL 63 8.158 -10.104 -20.932 750 HA VAL 63 HA VAL 63 5.913 -8.369 -20.035 751 HB VAL 63 HB VAL 63 6.820 -8.593 -22.916 752 1HG1 VAL 63 1HG1 VAL 63 4.793 -6.784 -21.566 753 2HG1 VAL 63 2HG1 VAL 63 4.393 -8.197 -22.543 754 3HG1 VAL 63 3HG1 VAL 63 5.180 -6.805 -23.286 755 1HG2 VAL 63 1HG2 VAL 63 7.383 -6.123 -22.551 756 2HG2 VAL 63 2HG2 VAL 63 8.481 -7.284 -21.806 757 3HG2 VAL 63 3HG2 VAL 63 7.272 -6.458 -20.823 758 H GLN 64 H GLN 64 3.995 -9.477 -20.101 759 HA GLN 64 HA GLN 64 3.686 -11.767 -21.931 760 1HB GLN 64 2HB GLN 64 2.977 -13.245 -20.011 761 2HB GLN 64 1HB GLN 64 4.695 -12.853 -20.023 762 1HG GLN 64 2HG GLN 64 3.144 -10.855 -18.555 763 2HG GLN 64 1HG GLN 64 2.926 -12.469 -17.886 764 1HE2 GLN 64 1HE2 GLN 64 4.544 -13.146 -16.468 765 2HE2 GLN 64 2HE2 GLN 64 6.101 -12.477 -16.380 766 H LEU 65 H LEU 65 1.677 -11.656 -22.774 767 HA LEU 65 HA LEU 65 -0.356 -10.049 -21.349 768 1HB LEU 65 2HB LEU 65 -1.546 -10.127 -23.534 769 2HB LEU 65 1HB LEU 65 0.052 -9.405 -23.654 770 HG LEU 65 HG LEU 65 -0.001 -12.337 -24.028 771 1HD1 LEU 65 1HD1 LEU 65 -0.773 -11.957 -26.459 772 2HD1 LEU 65 2HD1 LEU 65 -1.478 -10.452 -25.869 773 3HD1 LEU 65 3HD1 LEU 65 -2.023 -11.997 -25.216 774 1HD2 LEU 65 1HD2 LEU 65 1.821 -10.407 -24.439 775 2HD2 LEU 65 2HD2 LEU 65 1.061 -10.395 -26.030 776 3HD2 LEU 65 3HD2 LEU 65 1.786 -11.878 -25.411 777 H GLU 66 H GLU 66 -2.402 -10.867 -20.886 778 HA GLU 66 HA GLU 66 -2.857 -13.771 -21.355 779 1HB GLU 66 2HB GLU 66 -2.911 -12.285 -18.730 780 2HB GLU 66 1HB GLU 66 -3.876 -13.742 -18.957 781 1HG GLU 66 2HG GLU 66 -0.876 -13.526 -19.337 782 2HG GLU 66 1HG GLU 66 -1.678 -14.251 -17.946 783 H GLN 67 H GLN 67 -5.300 -14.194 -20.561 784 HA GLN 67 HA GLN 67 -7.023 -11.853 -21.107 785 1HB GLN 67 2HB GLN 67 -6.878 -14.302 -22.878 786 2HB GLN 67 1HB GLN 67 -8.285 -13.239 -22.849 787 1HG GLN 67 2HG GLN 67 -6.886 -11.324 -23.468 788 2HG GLN 67 1HG GLN 67 -5.448 -12.345 -23.437 789 1HE2 GLN 67 1HE2 GLN 67 -4.940 -12.262 -25.690 790 2HE2 GLN 67 2HE2 GLN 67 -5.968 -12.879 -26.891 791 H LYS 68 H LYS 68 -9.290 -12.297 -20.613 792 HA LYS 68 HA LYS 68 -9.612 -14.623 -18.755 793 1HB LYS 68 2HB LYS 68 -10.978 -11.912 -18.698 794 2HB LYS 68 1HB LYS 68 -11.281 -13.230 -17.567 795 1HG LYS 68 2HG LYS 68 -9.415 -12.774 -16.367 796 2HG LYS 68 1HG LYS 68 -8.428 -12.593 -17.816 797 1HD LYS 68 2HD LYS 68 -8.517 -10.461 -16.623 798 2HD LYS 68 1HD LYS 68 -9.389 -10.316 -18.148 799 1HE LYS 68 2HE LYS 68 -10.696 -9.296 -16.344 800 2HE LYS 68 1HE LYS 68 -11.521 -10.736 -16.942 801 1HZ LYS 68 1HZ LYS 68 -11.311 -10.471 -14.442 802 2HZ LYS 68 2HZ LYS 68 -9.666 -10.848 -14.642 803 3HZ LYS 68 3HZ LYS 68 -10.859 -11.970 -15.094 804 H ASP 69 H ASP 69 -11.946 -15.370 -18.605 805 HA ASP 69 HA ASP 69 -12.998 -15.763 -21.290 806 1HB ASP 69 2HB ASP 69 -12.955 -17.529 -19.460 807 2HB ASP 69 1HB ASP 69 -14.260 -16.632 -18.682 808 H GLY 70 H GLY 70 -13.229 -13.170 -21.153 809 1HA GLY 70 2HA GLY 70 -16.083 -12.652 -21.125 810 2HA GLY 70 1HA GLY 70 -15.263 -11.861 -19.779 811 H ASP 71 H ASP 71 -13.747 -12.393 -22.902 812 HA ASP 71 HA ASP 71 -12.906 -10.891 -24.486 813 1HB ASP 71 2HB ASP 71 -15.439 -9.519 -23.595 814 2HB ASP 71 1HB ASP 71 -14.351 -8.740 -24.743 815 H ILE 72 H ILE 72 -11.676 -10.885 -22.007 816 HA ILE 72 HA ILE 72 -10.956 -8.003 -21.690 817 HB ILE 72 HB ILE 72 -10.863 -10.044 -19.460 818 1HG1 ILE 72 2HG1 ILE 72 -13.103 -8.156 -20.262 819 2HG1 ILE 72 1HG1 ILE 72 -13.188 -9.905 -20.119 820 1HG2 ILE 72 1HG2 ILE 72 -10.917 -7.006 -19.478 821 2HG2 ILE 72 2HG2 ILE 72 -9.462 -7.984 -19.285 822 3HG2 ILE 72 3HG2 ILE 72 -10.727 -8.032 -18.057 823 1HD1 ILE 72 1HD1 ILE 72 -12.267 -8.901 -17.612 824 2HD1 ILE 72 2HD1 ILE 72 -13.799 -9.697 -17.965 825 3HD1 ILE 72 3HD1 ILE 72 -13.669 -7.943 -18.086 826 H SER 73 H SER 73 -8.692 -7.651 -21.089 827 HA SER 73 HA SER 73 -6.929 -9.972 -21.787 828 1HB SER 73 2HB SER 73 -6.329 -7.057 -22.351 829 2HB SER 73 1HB SER 73 -5.438 -8.464 -22.924 830 HG SER 73 HG SER 73 -6.742 -8.386 -24.564 831 H ILE 74 H ILE 74 -4.632 -9.574 -20.937 832 HA ILE 74 HA ILE 74 -4.505 -7.964 -18.465 833 HB ILE 74 HB ILE 74 -4.273 -10.984 -18.537 834 1HG1 ILE 74 2HG1 ILE 74 -6.077 -9.076 -17.023 835 2HG1 ILE 74 1HG1 ILE 74 -6.554 -10.166 -18.316 836 1HG2 ILE 74 1HG2 ILE 74 -2.795 -10.874 -16.838 837 2HG2 ILE 74 2HG2 ILE 74 -3.991 -10.006 -15.877 838 3HG2 ILE 74 3HG2 ILE 74 -2.846 -9.112 -16.876 839 1HD1 ILE 74 1HD1 ILE 74 -6.987 -11.728 -16.755 840 2HD1 ILE 74 2HD1 ILE 74 -6.294 -10.721 -15.486 841 3HD1 ILE 74 3HD1 ILE 74 -5.258 -11.799 -16.421 842 H LEU 75 H LEU 75 -2.847 -6.825 -19.642 843 HA LEU 75 HA LEU 75 -0.509 -8.287 -20.610 844 1HB LEU 75 2HB LEU 75 -1.459 -6.172 -21.678 845 2HB LEU 75 1HB LEU 75 -0.789 -5.299 -20.307 846 HG LEU 75 HG LEU 75 1.344 -6.874 -21.104 847 1HD1 LEU 75 1HD1 LEU 75 1.254 -5.980 -23.664 848 2HD1 LEU 75 2HD1 LEU 75 -0.453 -6.339 -23.404 849 3HD1 LEU 75 3HD1 LEU 75 0.757 -7.603 -23.189 850 1HD2 LEU 75 1HD2 LEU 75 1.916 -4.569 -22.365 851 2HD2 LEU 75 2HD2 LEU 75 1.913 -4.696 -20.606 852 3HD2 LEU 75 3HD2 LEU 75 0.513 -4.028 -21.443 853 H GLU 76 H GLU 76 0.687 -9.152 -18.983 854 HA GLU 76 HA GLU 76 1.334 -7.447 -16.629 855 1HB GLU 76 2HB GLU 76 1.923 -10.394 -17.036 856 2HB GLU 76 1HB GLU 76 2.018 -9.492 -15.525 857 1HG GLU 76 2HG GLU 76 -0.292 -9.398 -15.276 858 2HG GLU 76 1HG GLU 76 -0.592 -9.547 -17.005 859 H LEU 77 H LEU 77 3.522 -6.948 -16.165 860 HA LEU 77 HA LEU 77 5.563 -7.965 -18.076 861 1HB LEU 77 2HB LEU 77 6.506 -5.619 -18.219 862 2HB LEU 77 1HB LEU 77 4.971 -5.851 -19.051 863 HG LEU 77 HG LEU 77 4.949 -4.933 -16.195 864 1HD1 LEU 77 1HD1 LEU 77 5.853 -3.382 -18.585 865 2HD1 LEU 77 2HD1 LEU 77 6.375 -3.257 -16.905 866 3HD1 LEU 77 3HD1 LEU 77 4.831 -2.566 -17.403 867 1HD2 LEU 77 1HD2 LEU 77 2.778 -5.286 -16.976 868 2HD2 LEU 77 2HD2 LEU 77 3.187 -4.813 -18.624 869 3HD2 LEU 77 3HD2 LEU 77 3.003 -3.583 -17.373 870 H ASN 78 H ASN 78 7.358 -8.599 -17.003 871 HA ASN 78 HA ASN 78 7.589 -8.008 -14.121 872 1HB ASN 78 2HB ASN 78 9.467 -9.653 -15.824 873 2HB ASN 78 1HB ASN 78 9.220 -9.743 -14.092 874 1HD2 ASN 78 1HD2 ASN 78 6.214 -9.615 -14.356 875 2HD2 ASN 78 2HD2 ASN 78 5.751 -11.138 -14.940 876 H VAL 79 H VAL 79 9.290 -6.789 -13.257 877 HA VAL 79 HA VAL 79 11.125 -5.523 -15.253 878 HB VAL 79 HB VAL 79 10.091 -4.200 -12.737 879 1HG1 VAL 79 1HG1 VAL 79 11.383 -3.040 -15.216 880 2HG1 VAL 79 2HG1 VAL 79 12.277 -3.457 -13.754 881 3HG1 VAL 79 3HG1 VAL 79 11.038 -2.202 -13.703 882 1HG2 VAL 79 1HG2 VAL 79 9.185 -3.610 -15.563 883 2HG2 VAL 79 2HG2 VAL 79 8.467 -3.053 -14.053 884 3HG2 VAL 79 3HG2 VAL 79 8.315 -4.742 -14.529 885 H THR 80 H THR 80 12.788 -7.031 -14.793 886 HA THR 80 HA THR 80 13.684 -7.490 -12.053 887 HB THR 80 HB THR 80 15.113 -8.121 -14.650 888 HG1 THR 80 HG1 THR 80 14.129 -10.196 -14.296 889 1HG2 THR 80 1HG2 THR 80 16.688 -8.450 -12.969 890 2HG2 THR 80 2HG2 THR 80 15.917 -10.035 -13.030 891 3HG2 THR 80 3HG2 THR 80 15.468 -8.884 -11.771 892 H LEU 81 H LEU 81 14.427 -5.605 -11.098 893 HA LEU 81 HA LEU 81 16.239 -3.812 -12.577 894 1HB LEU 81 2HB LEU 81 14.974 -3.768 -9.831 895 2HB LEU 81 1HB LEU 81 16.210 -2.606 -10.300 896 HG LEU 81 HG LEU 81 13.956 -3.001 -12.201 897 1HD1 LEU 81 1HD1 LEU 81 13.677 -1.441 -9.613 898 2HD1 LEU 81 2HD1 LEU 81 12.821 -2.934 -10.002 899 3HD1 LEU 81 3HD1 LEU 81 12.507 -1.469 -10.932 900 1HD2 LEU 81 1HD2 LEU 81 14.869 -0.333 -11.263 901 2HD2 LEU 81 2HD2 LEU 81 14.574 -0.908 -12.904 902 3HD2 LEU 81 3HD2 LEU 81 16.082 -1.314 -12.084 903 HA PRO 82 HA PRO 82 19.784 -5.930 -10.785 904 1HB PRO 82 2HB PRO 82 21.709 -4.260 -11.757 905 2HB PRO 82 1HB PRO 82 20.861 -5.446 -12.759 906 1HG PRO 82 2HG PRO 82 20.617 -2.514 -12.722 907 2HG PRO 82 1HG PRO 82 20.210 -3.664 -14.003 908 1HD PRO 82 2HD PRO 82 18.408 -2.375 -12.190 909 2HD PRO 82 1HD PRO 82 18.019 -3.605 -13.412 910 H GLU 83 H GLU 83 21.966 -5.017 -9.639 911 HA GLU 83 HA GLU 83 21.165 -3.805 -7.192 912 1HB GLU 83 2HB GLU 83 23.666 -4.706 -8.433 913 2HB GLU 83 1HB GLU 83 23.896 -3.314 -7.377 914 1HG GLU 83 2HG GLU 83 22.706 -4.499 -5.562 915 2HG GLU 83 1HG GLU 83 22.508 -5.900 -6.616 916 H ALA 84 H ALA 84 22.872 -1.770 -6.575 917 HA ALA 84 HA ALA 84 23.154 0.282 -8.526 918 1HB ALA 84 1HB ALA 84 20.760 0.428 -8.624 919 2HB ALA 84 2HB ALA 84 21.303 1.794 -7.649 920 3HB ALA 84 3HB ALA 84 20.625 0.366 -6.867 921 H GLU 85 H GLU 85 24.377 1.946 -7.665 922 HA GLU 85 HA GLU 85 24.352 2.777 -4.940 923 1HB GLU 85 2HB GLU 85 25.332 0.485 -4.624 924 2HB GLU 85 1HB GLU 85 26.680 0.969 -5.653 925 1HG GLU 85 2HG GLU 85 27.162 2.846 -4.088 926 2HG GLU 85 1HG GLU 85 25.870 2.267 -3.035 927 H GLU 86 H GLU 86 26.329 2.331 -7.852 928 HA GLU 86 HA GLU 86 28.147 4.472 -7.441 929 1HB GLU 86 2HB GLU 86 28.081 2.630 -9.294 930 2HB GLU 86 1HB GLU 86 27.087 3.792 -10.173 931 1HG GLU 86 2HG GLU 86 28.820 5.285 -10.444 932 2HG GLU 86 1HG GLU 86 29.605 4.807 -8.938 933 H LEU 87 H LEU 87 24.777 4.480 -8.333 934 HA LEU 87 HA LEU 87 24.875 7.273 -9.281 935 1HB LEU 87 2HB LEU 87 23.156 5.059 -9.714 936 2HB LEU 87 1HB LEU 87 22.193 6.256 -8.852 937 HG LEU 87 HG LEU 87 22.033 6.591 -11.287 938 1HD1 LEU 87 1HD1 LEU 87 23.648 8.732 -9.871 939 2HD1 LEU 87 2HD1 LEU 87 21.892 8.565 -9.841 940 3HD1 LEU 87 3HD1 LEU 87 22.713 8.976 -11.347 941 1HD2 LEU 87 1HD2 LEU 87 24.889 7.456 -11.433 942 2HD2 LEU 87 2HD2 LEU 87 23.857 6.778 -12.692 943 3HD2 LEU 87 3HD2 LEU 87 24.560 5.723 -11.466 944 H LYS 88 HN LYS 88 24.344 9.011 -8.016 945 HA LYS 88 HA LYS 88 23.291 8.440 -5.272 946 1HB LYS 88 2HB LYS 88 25.367 10.428 -6.208 947 2HB LYS 88 1HB LYS 88 24.544 10.595 -4.657 948 1HG LYS 88 2HG LYS 88 25.256 8.024 -4.440 949 2HG LYS 88 1HG LYS 88 26.532 8.551 -5.538 950 1HD LYS 88 2HD LYS 88 25.889 10.164 -3.080 951 2HD LYS 88 1HD LYS 88 26.935 8.749 -2.966 952 1HE LYS 88 2HE LYS 88 28.613 9.713 -4.231 953 2HE LYS 88 1HE LYS 88 27.491 10.732 -5.133 954 1HZ LYS 88 1HZ LYS 88 28.602 12.183 -3.708 955 2HZ LYS 88 2HZ LYS 88 28.521 11.115 -2.389 956 3HZ LYS 88 3HZ LYS 88 27.120 11.907 -2.931 Start of MODEL 2 1 1H ARG 31 1H ARG 31 3.338 0.402 3.189 2 2H ARG 31 2H ARG 31 4.959 0.047 3.554 3 3H ARG 31 3H ARG 31 4.036 -1.037 2.626 4 HA ARG 31 HA ARG 31 3.967 0.416 0.787 5 1HB ARG 31 2HB ARG 31 3.948 2.408 2.633 6 2HB ARG 31 1HB ARG 31 5.619 2.515 2.086 7 1HG ARG 31 2HG ARG 31 4.690 3.832 0.458 8 2HG ARG 31 1HG ARG 31 4.386 2.271 -0.307 9 1HD ARG 31 2HD ARG 31 2.140 2.201 0.681 10 2HD ARG 31 1HD ARG 31 2.437 3.734 1.500 11 HE ARG 31 HE ARG 31 2.039 4.845 -0.540 12 1HH1 ARG 31 1HH2 ARG 31 2.605 1.440 -1.109 13 2HH1 ARG 31 2HH2 ARG 31 2.186 1.548 -2.783 14 1HH2 ARG 31 1HH1 ARG 31 1.506 4.938 -2.710 15 2HH2 ARG 31 2HH1 ARG 31 1.571 3.505 -3.682 16 H SER 32 H SER 32 5.407 -1.580 0.651 17 HA SER 32 HA SER 32 8.209 -1.426 1.205 18 1HB SER 32 2HB SER 32 7.051 -3.088 -1.019 19 2HB SER 32 1HB SER 32 8.402 -3.463 0.047 20 HG SER 32 HG SER 32 6.161 -4.417 0.425 21 H ASP 33 H ASP 33 6.259 -0.312 -1.484 22 HA ASP 33 HA ASP 33 8.568 0.112 -3.216 23 1HB ASP 33 2HB ASP 33 6.900 1.236 -4.709 24 2HB ASP 33 1HB ASP 33 6.472 -0.422 -4.288 25 H ALA 34 H ALA 34 7.793 1.672 -0.480 26 HA ALA 34 HA ALA 34 8.039 4.409 -1.507 27 1HB ALA 34 1HB ALA 34 7.363 3.152 1.108 28 2HB ALA 34 2HB ALA 34 6.569 4.481 0.263 29 3HB ALA 34 3HB ALA 34 8.074 4.765 1.137 30 H GLU 35 H GLU 35 10.208 1.987 -0.998 31 HA GLU 35 HA GLU 35 12.222 3.451 0.515 32 1HB GLU 35 2HB GLU 35 12.556 0.926 -1.128 33 2HB GLU 35 1HB GLU 35 13.659 1.539 0.098 34 1HG GLU 35 2HG GLU 35 10.846 1.173 0.969 35 2HG GLU 35 1HG GLU 35 11.740 -0.305 0.618 36 HA PRO 36 HA PRO 36 14.180 4.017 -3.829 37 1HB PRO 36 2HB PRO 36 12.699 3.387 -6.035 38 2HB PRO 36 1HB PRO 36 13.728 2.221 -5.192 39 1HG PRO 36 2HG PRO 36 10.798 2.411 -5.276 40 2HG PRO 36 1HG PRO 36 11.828 1.024 -4.903 41 1HD PRO 36 2HD PRO 36 10.426 2.689 -3.054 42 2HD PRO 36 1HD PRO 36 11.529 1.361 -2.682 43 H HIS 37 H HIS 37 10.648 4.499 -4.034 44 HA HIS 37 HA HIS 37 9.397 6.464 -4.236 45 1HB HIS 37 2HB HIS 37 11.557 7.465 -3.029 46 2HB HIS 37 1HB HIS 37 11.784 8.218 -4.607 47 HD1 HIS 37 HD1 HIS 37 9.204 7.950 -1.833 48 HD2 HIS 37 HD2 HIS 37 10.069 10.360 -5.123 49 HE1 HIS 37 HE1 HIS 37 7.614 9.916 -1.717 50 H TYR 38 H TYR 38 11.488 5.224 -6.548 51 HA TYR 38 HA TYR 38 10.348 7.026 -8.634 52 1HB TYR 38 2HB TYR 38 12.304 6.223 -10.048 53 2HB TYR 38 1HB TYR 38 12.734 7.267 -8.695 54 HD1 TYR 38 HD1 TYR 38 12.785 3.814 -9.993 55 HD2 TYR 38 HD2 TYR 38 13.907 6.395 -6.748 56 HE1 TYR 38 HE1 TYR 38 14.284 2.048 -9.105 57 HE2 TYR 38 HE2 TYR 38 15.402 4.627 -5.859 58 HH TYR 38 HH TYR 38 16.679 2.519 -7.080 59 H LEU 39 H LEU 39 10.949 3.718 -7.617 60 HA LEU 39 HA LEU 39 10.192 2.311 -9.937 61 1HB LEU 39 2HB LEU 39 10.696 1.716 -7.202 62 2HB LEU 39 1HB LEU 39 9.149 0.978 -7.603 63 HG LEU 39 HG LEU 39 10.964 -0.596 -8.080 64 1HD1 LEU 39 1HD1 LEU 39 8.952 0.090 -9.840 65 2HD1 LEU 39 2HD1 LEU 39 9.990 -1.327 -9.995 66 3HD1 LEU 39 3HD1 LEU 39 10.383 0.154 -10.868 67 1HD2 LEU 39 1HD2 LEU 39 12.933 0.473 -8.545 68 2HD2 LEU 39 2HD2 LEU 39 12.130 1.819 -9.352 69 3HD2 LEU 39 3HD2 LEU 39 12.388 0.303 -10.213 70 HA PRO 40 HA PRO 40 5.606 2.517 -8.453 71 1HB PRO 40 2HB PRO 40 4.963 4.354 -6.528 72 2HB PRO 40 1HB PRO 40 5.395 2.672 -6.184 73 1HG PRO 40 2HG PRO 40 7.006 5.140 -5.846 74 2HG PRO 40 1HG PRO 40 7.024 3.640 -4.914 75 1HD PRO 40 2HD PRO 40 8.906 4.350 -6.828 76 2HD PRO 40 1HD PRO 40 8.624 2.696 -6.247 77 H GLN 41 H GLN 41 7.613 5.291 -8.916 78 HA GLN 41 HA GLN 41 5.488 7.087 -9.802 79 1HB GLN 41 2HB GLN 41 7.617 7.965 -8.888 80 2HB GLN 41 1HB GLN 41 8.499 7.200 -10.209 81 1HG GLN 41 2HG GLN 41 8.166 9.540 -10.762 82 2HG GLN 41 1HG GLN 41 7.150 8.566 -11.824 83 1HE2 GLN 41 1HE2 GLN 41 5.435 10.089 -12.128 84 2HE2 GLN 41 2HE2 GLN 41 4.455 10.641 -10.857 85 H LEU 42 H LEU 42 7.691 4.746 -11.228 86 HA LEU 42 HA LEU 42 7.118 5.495 -13.960 87 1HB LEU 42 2HB LEU 42 8.381 3.009 -12.777 88 2HB LEU 42 1HB LEU 42 8.290 3.349 -14.488 89 HG LEU 42 HG LEU 42 10.172 4.581 -14.404 90 1HD1 LEU 42 1HD1 LEU 42 8.766 6.531 -13.602 91 2HD1 LEU 42 2HD1 LEU 42 10.462 6.590 -13.130 92 3HD1 LEU 42 3HD1 LEU 42 9.242 6.103 -11.960 93 1HD2 LEU 42 1HD2 LEU 42 10.057 3.501 -11.617 94 2HD2 LEU 42 2HD2 LEU 42 11.350 4.622 -12.045 95 3HD2 LEU 42 3HD2 LEU 42 11.170 3.105 -12.926 96 H ARG 43 H ARG 43 6.029 2.921 -11.737 97 HA ARG 43 HA ARG 43 4.423 1.529 -13.638 98 1HB ARG 43 2HB ARG 43 3.359 0.476 -11.739 99 2HB ARG 43 1HB ARG 43 5.064 0.648 -11.380 100 1HG ARG 43 2HG ARG 43 4.553 2.713 -10.093 101 2HG ARG 43 1HG ARG 43 2.837 2.439 -10.382 102 1HD ARG 43 2HD ARG 43 3.209 0.111 -9.356 103 2HD ARG 43 1HD ARG 43 4.749 0.744 -8.776 104 HE ARG 43 HE ARG 43 2.489 2.459 -8.105 105 1HH1 ARG 43 1HH2 ARG 43 4.370 -0.327 -7.138 106 2HH1 ARG 43 2HH2 ARG 43 3.939 -0.164 -5.472 107 1HH2 ARG 43 2HH1 ARG 43 1.960 2.632 -5.939 108 2HH2 ARG 43 1HH1 ARG 43 2.589 1.492 -4.798 109 H LYS 44 H LYS 44 3.632 4.201 -11.390 110 HA LYS 44 HA LYS 44 0.891 4.337 -12.154 111 1HB LYS 44 2HB LYS 44 0.869 6.514 -11.075 112 2HB LYS 44 1HB LYS 44 1.838 5.420 -10.101 113 1HG LYS 44 2HG LYS 44 3.887 6.351 -11.042 114 2HG LYS 44 1HG LYS 44 2.960 7.383 -12.123 115 1HD LYS 44 2HD LYS 44 3.610 8.747 -10.253 116 2HD LYS 44 1HD LYS 44 1.890 8.405 -10.064 117 1HE LYS 44 2HE LYS 44 3.028 6.271 -8.754 118 2HE LYS 44 1HE LYS 44 4.166 7.567 -8.389 119 1HZ LYS 44 1HZ LYS 44 2.320 7.399 -6.785 120 2HZ LYS 44 2HZ LYS 44 1.227 7.771 -8.033 121 3HZ LYS 44 3HZ LYS 44 2.393 8.910 -7.553 122 H ASP 45 H ASP 45 3.865 5.621 -13.521 123 HA ASP 45 HA ASP 45 2.687 7.478 -15.340 124 1HB ASP 45 2HB ASP 45 5.281 5.939 -15.375 125 2HB ASP 45 1HB ASP 45 4.841 7.060 -16.652 126 H ILE 46 H ILE 46 3.619 4.028 -15.717 127 HA ILE 46 HA ILE 46 2.786 3.793 -18.433 128 HB ILE 46 HB ILE 46 4.160 2.097 -17.153 129 1HG1 ILE 46 2HG1 ILE 46 1.722 0.995 -18.578 130 2HG1 ILE 46 1HG1 ILE 46 3.120 1.697 -19.390 131 1HG2 ILE 46 1HG2 ILE 46 1.586 1.744 -15.732 132 2HG2 ILE 46 2HG2 ILE 46 3.226 1.404 -15.206 133 3HG2 ILE 46 3HG2 ILE 46 2.377 0.256 -16.234 134 1HD1 ILE 46 1HD1 ILE 46 3.734 -0.399 -17.384 135 2HD1 ILE 46 2HD1 ILE 46 4.439 -0.121 -18.976 136 3HD1 ILE 46 3HD1 ILE 46 2.891 -0.953 -18.831 137 H LEU 47 H LEU 47 0.951 3.817 -15.445 138 HA LEU 47 HA LEU 47 -1.499 2.764 -16.520 139 1HB LEU 47 2HB LEU 47 -0.802 4.469 -14.134 140 2HB LEU 47 1HB LEU 47 -2.482 4.164 -14.556 141 HG LEU 47 HG LEU 47 -0.485 1.920 -14.263 142 1HD1 LEU 47 1HD1 LEU 47 -2.420 2.575 -12.081 143 2HD1 LEU 47 2HD1 LEU 47 -0.940 3.529 -12.184 144 3HD1 LEU 47 3HD1 LEU 47 -0.849 1.779 -11.986 145 1HD2 LEU 47 1HD2 LEU 47 -3.469 2.213 -14.482 146 2HD2 LEU 47 2HD2 LEU 47 -2.795 0.822 -13.633 147 3HD2 LEU 47 3HD2 LEU 47 -2.396 1.099 -15.329 148 H GLU 48 H GLU 48 -0.266 6.069 -16.021 149 HA GLU 48 HA GLU 48 -2.497 7.387 -17.271 150 1HB GLU 48 2HB GLU 48 0.340 8.437 -17.189 151 2HB GLU 48 1HB GLU 48 -1.151 9.373 -17.273 152 1HG GLU 48 2HG GLU 48 -0.311 7.641 -14.938 153 2HG GLU 48 1HG GLU 48 -0.174 9.388 -15.012 154 H VAL 49 H VAL 49 0.611 6.143 -18.366 155 HA VAL 49 HA VAL 49 0.555 7.177 -20.998 156 HB VAL 49 HB VAL 49 1.711 4.536 -20.039 157 1HG1 VAL 49 1HG1 VAL 49 1.397 4.909 -22.570 158 2HG1 VAL 49 2HG1 VAL 49 3.022 4.508 -22.020 159 3HG1 VAL 49 3HG1 VAL 49 2.612 6.177 -22.412 160 1HG2 VAL 49 1HG2 VAL 49 3.498 6.825 -20.562 161 2HG2 VAL 49 2HG2 VAL 49 3.482 5.698 -19.206 162 3HG2 VAL 49 3HG2 VAL 49 2.391 7.082 -19.215 163 H ILE 50 H ILE 50 -0.537 3.966 -19.808 164 HA ILE 50 HA ILE 50 -1.749 3.098 -22.232 165 HB ILE 50 HB ILE 50 -2.664 2.497 -19.402 166 1HG1 ILE 50 2HG1 ILE 50 -0.942 0.649 -20.994 167 2HG1 ILE 50 1HG1 ILE 50 -0.167 2.063 -20.279 168 1HG2 ILE 50 1HG2 ILE 50 -4.208 1.895 -21.333 169 2HG2 ILE 50 2HG2 ILE 50 -3.691 0.539 -20.332 170 3HG2 ILE 50 3HG2 ILE 50 -2.937 0.814 -21.902 171 1HD1 ILE 50 1HD1 ILE 50 -1.838 0.025 -18.778 172 2HD1 ILE 50 2HD1 ILE 50 -1.066 1.441 -18.066 173 3HD1 ILE 50 3HD1 ILE 50 -0.079 0.141 -18.735 174 H CYS 51 H CYS 51 -2.746 5.483 -19.902 175 HA CYS 51 HA CYS 51 -5.526 5.559 -20.693 176 1HB CYS 51 2HB CYS 51 -4.455 6.426 -18.492 177 2HB CYS 51 1HB CYS 51 -4.018 7.849 -19.437 178 HG CYS 51 HG CYS 51 -6.664 8.056 -19.993 179 H LYS 52 H LYS 52 -2.639 7.505 -21.453 180 HA LYS 52 HA LYS 52 -3.859 9.406 -23.163 181 1HB LYS 52 2HB LYS 52 -1.098 8.199 -23.489 182 2HB LYS 52 1HB LYS 52 -1.648 9.731 -24.157 183 1HG LYS 52 2HG LYS 52 -1.673 10.781 -22.072 184 2HG LYS 52 1HG LYS 52 -1.803 9.257 -21.193 185 1HD LYS 52 2HD LYS 52 0.440 9.601 -20.852 186 2HD LYS 52 1HD LYS 52 0.563 8.851 -22.443 187 1HE LYS 52 2HE LYS 52 1.790 10.784 -22.804 188 2HE LYS 52 1HE LYS 52 0.185 11.336 -23.282 189 1HZ LYS 52 1HZ LYS 52 1.036 12.950 -21.817 190 2HZ LYS 52 2HZ LYS 52 1.570 11.785 -20.702 191 3HZ LYS 52 3HZ LYS 52 -0.093 12.066 -20.910 192 H TYR 53 H TYR 53 -2.847 6.095 -23.780 193 HA TYR 53 HA TYR 53 -3.588 6.363 -26.640 194 1HB TYR 53 2HB TYR 53 -2.201 4.132 -25.123 195 2HB TYR 53 1HB TYR 53 -2.513 4.138 -26.848 196 HD1 TYR 53 HD1 TYR 53 -0.771 4.818 -28.244 197 HD2 TYR 53 HD2 TYR 53 -0.971 6.387 -24.259 198 HE1 TYR 53 HE1 TYR 53 1.368 6.024 -28.597 199 HE2 TYR 53 HE2 TYR 53 1.151 7.591 -24.607 200 HH TYR 53 HH TYR 53 2.455 8.474 -26.574 201 H VAL 54 H VAL 54 -4.827 5.164 -23.635 202 HA VAL 54 HA VAL 54 -7.158 4.019 -25.039 203 HB VAL 54 HB VAL 54 -5.898 2.272 -22.929 204 1HG1 VAL 54 1HG1 VAL 54 -7.310 1.327 -25.393 205 2HG1 VAL 54 2HG1 VAL 54 -8.262 2.100 -24.125 206 3HG1 VAL 54 3HG1 VAL 54 -7.324 0.651 -23.764 207 1HG2 VAL 54 1HG2 VAL 54 -4.684 1.005 -24.634 208 2HG2 VAL 54 2HG2 VAL 54 -4.120 2.677 -24.649 209 3HG2 VAL 54 3HG2 VAL 54 -5.238 2.112 -25.891 210 H GLN 55 H GLN 55 -7.718 2.694 -22.181 211 HA GLN 55 HA GLN 55 -7.858 4.913 -20.361 212 1HB GLN 55 2HB GLN 55 -9.853 4.864 -22.376 213 2HB GLN 55 1HB GLN 55 -10.639 4.350 -20.884 214 1HG GLN 55 2HG GLN 55 -9.397 6.372 -19.808 215 2HG GLN 55 1HG GLN 55 -9.221 6.940 -21.469 216 1HE2 GLN 55 1HE2 GLN 55 -11.242 7.213 -18.834 217 2HE2 GLN 55 2HE2 GLN 55 -12.694 7.578 -19.634 218 H ILE 56 H ILE 56 -7.408 3.664 -18.635 219 HA ILE 56 HA ILE 56 -9.316 1.490 -17.936 220 HB ILE 56 HB ILE 56 -7.226 0.214 -17.067 221 1HG1 ILE 56 2HG1 ILE 56 -5.714 1.323 -19.353 222 2HG1 ILE 56 1HG1 ILE 56 -5.904 2.443 -18.005 223 1HG2 ILE 56 1HG2 ILE 56 -7.251 0.211 -20.041 224 2HG2 ILE 56 2HG2 ILE 56 -8.789 -0.082 -19.231 225 3HG2 ILE 56 3HG2 ILE 56 -7.410 -1.134 -18.911 226 1HD1 ILE 56 1HD1 ILE 56 -3.988 1.308 -17.339 227 2HD1 ILE 56 2HD1 ILE 56 -4.500 -0.204 -18.087 228 3HD1 ILE 56 3HD1 ILE 56 -5.227 0.320 -16.568 229 H ASP 57 H ASP 57 -8.969 0.837 -15.582 230 HA ASP 57 HA ASP 57 -8.408 3.297 -13.996 231 1HB ASP 57 2HB ASP 57 -10.159 0.891 -13.611 232 2HB ASP 57 1HB ASP 57 -9.575 1.748 -12.187 233 HA PRO 58 HA PRO 58 -4.876 1.416 -12.103 234 1HB PRO 58 2HB PRO 58 -5.056 2.268 -9.509 235 2HB PRO 58 1HB PRO 58 -4.588 3.324 -10.851 236 1HG PRO 58 2HG PRO 58 -7.171 3.157 -9.391 237 2HG PRO 58 1HG PRO 58 -6.384 4.554 -10.141 238 1HD PRO 58 2HD PRO 58 -8.515 3.136 -11.248 239 2HD PRO 58 1HD PRO 58 -7.410 4.191 -12.157 240 H GLU 59 H GLU 59 -7.990 0.863 -10.574 241 HA GLU 59 HA GLU 59 -7.152 -1.333 -8.892 242 1HB GLU 59 2HB GLU 59 -9.816 -0.413 -9.978 243 2HB GLU 59 1HB GLU 59 -9.672 -1.903 -9.043 244 1HG GLU 59 2HG GLU 59 -8.314 -0.310 -7.393 245 2HG GLU 59 1HG GLU 59 -9.305 0.930 -8.163 246 H MET 60 H MET 60 -7.510 -1.011 -12.297 247 HA MET 60 HA MET 60 -8.095 -3.872 -12.729 248 1HB MET 60 2HB MET 60 -7.809 -1.450 -14.497 249 2HB MET 60 1HB MET 60 -7.759 -3.064 -15.191 250 1HG MET 60 2HG MET 60 -9.968 -2.658 -13.279 251 2HG MET 60 1HG MET 60 -10.062 -1.630 -14.706 252 1HE MET 60 1HE MET 60 -9.284 -2.468 -16.898 253 2HE MET 60 2HE MET 60 -11.021 -2.651 -17.138 254 3HE MET 60 3HE MET 60 -9.926 -3.932 -17.654 255 H VAL 61 H VAL 61 -5.339 -1.877 -12.280 256 HA VAL 61 HA VAL 61 -3.614 -3.810 -13.750 257 HB VAL 61 HB VAL 61 -2.953 -1.034 -12.719 258 1HG1 VAL 61 1HG1 VAL 61 -0.874 -1.250 -13.816 259 2HG1 VAL 61 2HG1 VAL 61 -1.418 -2.635 -14.761 260 3HG1 VAL 61 3HG1 VAL 61 -1.094 -2.818 -13.038 261 1HG2 VAL 61 1HG2 VAL 61 -2.850 -0.841 -15.413 262 2HG2 VAL 61 2HG2 VAL 61 -4.309 -0.489 -14.490 263 3HG2 VAL 61 3HG2 VAL 61 -4.111 -2.064 -15.260 264 H THR 62 H THR 62 -2.444 -5.224 -12.527 265 HA THR 62 HA THR 62 -2.390 -4.881 -9.609 266 HB THR 62 HB THR 62 -1.160 -7.183 -11.115 267 HG1 THR 62 HG1 THR 62 -3.198 -8.151 -11.055 268 1HG2 THR 62 1HG2 THR 62 -0.696 -7.223 -8.781 269 2HG2 THR 62 2HG2 THR 62 -2.019 -8.364 -9.021 270 3HG2 THR 62 3HG2 THR 62 -2.345 -6.758 -8.369 271 H VAL 63 H VAL 63 -0.372 -5.087 -8.417 272 HA VAL 63 HA VAL 63 2.117 -4.600 -9.958 273 HB VAL 63 HB VAL 63 1.232 -2.869 -7.637 274 1HG1 VAL 63 1HG1 VAL 63 3.687 -3.195 -7.895 275 2HG1 VAL 63 2HG1 VAL 63 3.202 -1.531 -8.222 276 3HG1 VAL 63 3HG1 VAL 63 3.567 -2.621 -9.558 277 1HG2 VAL 63 1HG2 VAL 63 1.331 -2.285 -10.610 278 2HG2 VAL 63 2HG2 VAL 63 1.021 -1.084 -9.356 279 3HG2 VAL 63 3HG2 VAL 63 -0.124 -2.399 -9.620 280 H GLN 64 H GLN 64 3.612 -5.987 -9.167 281 HA GLN 64 HA GLN 64 3.632 -6.583 -6.263 282 1HB GLN 64 2HB GLN 64 3.862 -9.019 -6.762 283 2HB GLN 64 1HB GLN 64 2.301 -8.374 -7.272 284 1HG GLN 64 2HG GLN 64 3.742 -7.946 -9.530 285 2HG GLN 64 1HG GLN 64 4.555 -9.383 -8.918 286 1HE2 GLN 64 1HE2 GLN 64 2.089 -8.516 -10.943 287 2HE2 GLN 64 2HE2 GLN 64 1.091 -9.879 -10.783 288 H LEU 65 H LEU 65 5.696 -6.387 -5.522 289 HA LEU 65 HA LEU 65 7.894 -6.379 -7.502 290 1HB LEU 65 2HB LEU 65 9.187 -5.329 -5.642 291 2HB LEU 65 1HB LEU 65 7.774 -4.399 -6.122 292 HG LEU 65 HG LEU 65 7.279 -6.411 -4.009 293 1HD1 LEU 65 1HD1 LEU 65 9.171 -4.090 -3.628 294 2HD1 LEU 65 2HD1 LEU 65 9.378 -5.767 -3.122 295 3HD1 LEU 65 3HD1 LEU 65 8.219 -4.732 -2.289 296 1HD2 LEU 65 1HD2 LEU 65 6.695 -3.503 -3.720 297 2HD2 LEU 65 2HD2 LEU 65 5.667 -4.894 -3.378 298 3HD2 LEU 65 3HD2 LEU 65 5.887 -4.347 -5.040 299 H GLU 66 H GLU 66 9.965 -7.374 -6.850 300 HA GLU 66 HA GLU 66 9.811 -9.536 -4.846 301 1HB GLU 66 2HB GLU 66 10.185 -10.005 -7.811 302 2HB GLU 66 1HB GLU 66 10.667 -11.185 -6.598 303 1HG GLU 66 2HG GLU 66 7.879 -10.048 -6.932 304 2HG GLU 66 1HG GLU 66 8.400 -11.632 -7.500 305 H GLN 67 H GLN 67 12.085 -10.739 -4.936 306 HA GLN 67 HA GLN 67 14.273 -8.938 -5.786 307 1HB GLN 67 2HB GLN 67 13.682 -9.648 -2.902 308 2HB GLN 67 1HB GLN 67 15.270 -9.101 -3.440 309 1HG GLN 67 2HG GLN 67 14.312 -7.013 -4.270 310 2HG GLN 67 1HG GLN 67 12.690 -7.561 -3.849 311 1HE2 GLN 67 1HE2 GLN 67 12.224 -6.031 -2.190 312 2HE2 GLN 67 2HE2 GLN 67 13.115 -5.925 -0.750 313 H LYS 68 H LYS 68 16.344 -10.033 -5.793 314 HA LYS 68 HA LYS 68 16.087 -13.008 -5.627 315 1HB LYS 68 2HB LYS 68 17.760 -11.242 -7.417 316 2HB LYS 68 1HB LYS 68 18.091 -12.961 -7.220 317 1HG LYS 68 2HG LYS 68 16.437 -13.499 -8.649 318 2HG LYS 68 1HG LYS 68 15.266 -12.580 -7.704 319 1HD LYS 68 2HD LYS 68 15.314 -11.628 -9.920 320 2HD LYS 68 1HD LYS 68 16.120 -10.490 -8.839 321 1HE LYS 68 2HE LYS 68 17.569 -10.637 -10.705 322 2HE LYS 68 1HE LYS 68 18.305 -11.694 -9.502 323 1HZ LYS 68 1HZ LYS 68 16.722 -12.439 -11.883 324 2HZ LYS 68 2HZ LYS 68 16.937 -13.521 -10.591 325 3HZ LYS 68 3HZ LYS 68 18.284 -12.943 -11.451 326 H ASP 69 H ASP 69 18.257 -14.089 -5.119 327 HA ASP 69 HA ASP 69 19.305 -12.940 -2.677 328 1HB ASP 69 2HB ASP 69 19.884 -15.450 -4.239 329 2HB ASP 69 1HB ASP 69 20.854 -14.999 -2.835 330 H GLY 70 H GLY 70 20.072 -12.301 -5.882 331 1HA GLY 70 2HA GLY 70 22.975 -11.968 -5.356 332 2HA GLY 70 1HA GLY 70 22.196 -11.834 -6.932 333 H ASP 71 H ASP 71 20.997 -10.263 -4.017 334 HA ASP 71 HA ASP 71 20.675 -7.996 -3.515 335 1HB ASP 71 2HB ASP 71 23.306 -7.949 -4.993 336 2HB ASP 71 1HB ASP 71 22.555 -6.456 -4.436 337 H ILE 72 H ILE 72 19.116 -8.939 -5.545 338 HA ILE 72 HA ILE 72 19.055 -6.642 -7.455 339 HB ILE 72 HB ILE 72 18.149 -9.453 -8.102 340 1HG1 ILE 72 2HG1 ILE 72 20.836 -8.118 -8.552 341 2HG1 ILE 72 1HG1 ILE 72 20.523 -9.598 -7.660 342 1HG2 ILE 72 1HG2 ILE 72 18.287 -8.597 -10.420 343 2HG2 ILE 72 2HG2 ILE 72 18.794 -7.027 -9.802 344 3HG2 ILE 72 3HG2 ILE 72 17.178 -7.635 -9.444 345 1HD1 ILE 72 1HD1 ILE 72 20.993 -9.261 -10.499 346 2HD1 ILE 72 2HD1 ILE 72 19.436 -10.041 -10.222 347 3HD1 ILE 72 3HD1 ILE 72 20.907 -10.749 -9.557 348 H SER 73 H SER 73 16.877 -6.099 -8.211 349 HA SER 73 HA SER 73 14.706 -7.055 -6.388 350 1HB SER 73 2HB SER 73 14.811 -4.242 -7.460 351 2HB SER 73 1HB SER 73 13.903 -4.861 -6.084 352 HG SER 73 HG SER 73 15.652 -4.752 -4.871 353 H ILE 74 H ILE 74 12.525 -6.711 -7.353 354 HA ILE 74 HA ILE 74 12.518 -6.576 -10.319 355 HB ILE 74 HB ILE 74 11.325 -8.799 -8.653 356 1HG1 ILE 74 2HG1 ILE 74 13.522 -8.863 -10.734 357 2HG1 ILE 74 1HG1 ILE 74 13.782 -8.934 -8.994 358 1HG2 ILE 74 1HG2 ILE 74 11.172 -8.214 -11.617 359 2HG2 ILE 74 2HG2 ILE 74 9.829 -8.368 -10.485 360 3HG2 ILE 74 3HG2 ILE 74 10.780 -9.787 -10.921 361 1HD1 ILE 74 1HD1 ILE 74 13.122 -11.106 -8.851 362 2HD1 ILE 74 2HD1 ILE 74 13.483 -11.138 -10.577 363 3HD1 ILE 74 3HD1 ILE 74 11.826 -10.893 -10.027 364 H LEU 75 H LEU 75 10.243 -6.330 -11.139 365 HA LEU 75 HA LEU 75 8.216 -5.553 -9.193 366 1HB LEU 75 2HB LEU 75 9.653 -3.502 -9.505 367 2HB LEU 75 1HB LEU 75 9.177 -3.507 -11.201 368 HG LEU 75 HG LEU 75 6.768 -3.772 -9.737 369 1HD1 LEU 75 1HD1 LEU 75 6.811 -2.317 -7.971 370 2HD1 LEU 75 2HD1 LEU 75 8.014 -1.272 -8.725 371 3HD1 LEU 75 3HD1 LEU 75 8.516 -2.767 -7.937 372 1HD2 LEU 75 1HD2 LEU 75 7.879 -1.212 -10.908 373 2HD2 LEU 75 2HD2 LEU 75 6.192 -1.715 -10.815 374 3HD2 LEU 75 3HD2 LEU 75 7.299 -2.539 -11.913 375 H GLU 76 H GLU 76 6.833 -7.054 -10.079 376 HA GLU 76 HA GLU 76 6.306 -6.972 -13.001 377 1HB GLU 76 2HB GLU 76 5.079 -8.809 -10.925 378 2HB GLU 76 1HB GLU 76 5.099 -9.036 -12.671 379 1HG GLU 76 2HG GLU 76 7.568 -9.234 -12.610 380 2HG GLU 76 1HG GLU 76 7.533 -9.028 -10.859 381 H LEU 77 H LEU 77 4.280 -6.323 -13.815 382 HA LEU 77 HA LEU 77 2.215 -5.500 -11.838 383 1HB LEU 77 2HB LEU 77 1.870 -3.373 -13.177 384 2HB LEU 77 1HB LEU 77 3.358 -3.427 -12.233 385 HG LEU 77 HG LEU 77 3.412 -4.394 -15.070 386 1HD1 LEU 77 1HD1 LEU 77 4.150 -1.885 -15.496 387 2HD1 LEU 77 2HD1 LEU 77 3.076 -1.572 -14.132 388 3HD1 LEU 77 3HD1 LEU 77 2.451 -2.348 -15.588 389 1HD2 LEU 77 1HD2 LEU 77 5.478 -4.703 -14.012 390 2HD2 LEU 77 2HD2 LEU 77 5.306 -3.243 -13.039 391 3HD2 LEU 77 3HD2 LEU 77 5.694 -3.119 -14.755 392 H ASN 78 H ASN 78 0.269 -6.266 -12.473 393 HA ASN 78 HA ASN 78 -0.014 -7.389 -15.183 394 1HB ASN 78 2HB ASN 78 -2.044 -7.334 -12.943 395 2HB ASN 78 1HB ASN 78 -2.013 -8.405 -14.330 396 1HD2 ASN 78 1HD2 ASN 78 0.936 -8.892 -14.138 397 2HD2 ASN 78 2HD2 ASN 78 1.151 -9.897 -12.788 398 H VAL 79 H VAL 79 -1.441 -6.540 -16.720 399 HA VAL 79 HA VAL 79 -2.899 -4.050 -15.930 400 HB VAL 79 HB VAL 79 -1.620 -4.509 -18.634 401 1HG1 VAL 79 1HG1 VAL 79 -2.463 -1.923 -17.322 402 2HG1 VAL 79 2HG1 VAL 79 -3.589 -2.895 -18.268 403 3HG1 VAL 79 3HG1 VAL 79 -2.145 -2.227 -19.030 404 1HG2 VAL 79 1HG2 VAL 79 -0.223 -2.469 -17.313 405 2HG2 VAL 79 2HG2 VAL 79 0.371 -4.098 -17.625 406 3HG2 VAL 79 3HG2 VAL 79 -0.407 -3.725 -16.087 407 H THR 80 H THR 80 -4.897 -5.105 -15.751 408 HA THR 80 HA THR 80 -5.885 -6.793 -17.950 409 HB THR 80 HB THR 80 -7.352 -5.769 -15.501 410 HG1 THR 80 HG1 THR 80 -6.738 -7.716 -14.581 411 1HG2 THR 80 1HG2 THR 80 -8.615 -7.986 -15.991 412 2HG2 THR 80 2HG2 THR 80 -7.904 -7.857 -17.599 413 3HG2 THR 80 3HG2 THR 80 -8.969 -6.584 -17.001 414 H LEU 81 H LEU 81 -6.392 -5.637 -19.777 415 HA LEU 81 HA LEU 81 -7.700 -3.008 -19.556 416 1HB LEU 81 2HB LEU 81 -6.931 -4.637 -21.998 417 2HB LEU 81 1HB LEU 81 -7.432 -2.952 -21.990 418 HG LEU 81 HG LEU 81 -5.176 -3.632 -20.189 419 1HD1 LEU 81 1HD1 LEU 81 -4.799 -3.465 -23.193 420 2HD1 LEU 81 2HD1 LEU 81 -4.709 -4.960 -22.265 421 3HD1 LEU 81 3HD1 LEU 81 -3.535 -3.676 -21.982 422 1HD2 LEU 81 1HD2 LEU 81 -6.321 -1.327 -20.901 423 2HD2 LEU 81 2HD2 LEU 81 -5.174 -1.449 -22.235 424 3HD2 LEU 81 3HD2 LEU 81 -4.591 -1.425 -20.570 425 HA PRO 82 HA PRO 82 -11.704 -4.984 -20.135 426 1HB PRO 82 2HB PRO 82 -13.192 -2.702 -20.287 427 2HB PRO 82 1HB PRO 82 -12.527 -3.326 -18.771 428 1HG PRO 82 2HG PRO 82 -11.719 -0.970 -20.332 429 2HG PRO 82 1HG PRO 82 -11.446 -1.339 -18.624 430 1HD PRO 82 2HD PRO 82 -9.577 -1.590 -20.786 431 2HD PRO 82 1HD PRO 82 -9.334 -2.023 -19.080 432 H GLU 83 H GLU 83 -13.759 -4.294 -21.674 433 HA GLU 83 HA GLU 83 -12.959 -4.829 -24.349 434 1HB GLU 83 2HB GLU 83 -15.454 -4.233 -22.922 435 2HB GLU 83 1HB GLU 83 -15.458 -3.640 -24.581 436 1HG GLU 83 2HG GLU 83 -14.943 -5.832 -25.445 437 2HG GLU 83 1HG GLU 83 -14.668 -6.462 -23.821 438 H ALA 84 H ALA 84 -14.226 -3.060 -26.027 439 HA ALA 84 HA ALA 84 -13.668 -0.301 -25.472 440 1HB ALA 84 1HB ALA 84 -11.345 -1.532 -25.839 441 2HB ALA 84 2HB ALA 84 -11.633 0.069 -26.519 442 3HB ALA 84 3HB ALA 84 -11.782 -1.361 -27.539 443 H GLU 85 H GLU 85 -13.326 0.747 -27.955 444 HA GLU 85 HA GLU 85 -15.868 0.424 -29.189 445 1HB GLU 85 2HB GLU 85 -13.284 1.594 -30.256 446 2HB GLU 85 1HB GLU 85 -14.837 1.722 -31.084 447 1HG GLU 85 2HG GLU 85 -15.797 2.856 -29.113 448 2HG GLU 85 1HG GLU 85 -14.244 2.733 -28.286 449 H GLU 86 H GLU 86 -12.662 -0.846 -30.104 450 HA GLU 86 HA GLU 86 -12.070 -2.626 -31.509 451 1HB GLU 86 2HB GLU 86 -13.682 -3.808 -29.945 452 2HB GLU 86 1HB GLU 86 -14.937 -3.538 -31.154 453 1HG GLU 86 2HG GLU 86 -13.477 -4.706 -32.835 454 2HG GLU 86 1HG GLU 86 -12.369 -5.104 -31.521 455 H LEU 87 H LEU 87 -12.184 -0.689 -33.103 456 HA LEU 87 HA LEU 87 -14.394 -0.887 -35.054 457 1HB LEU 87 2HB LEU 87 -13.280 1.031 -36.154 458 2HB LEU 87 1HB LEU 87 -13.570 1.346 -34.446 459 HG LEU 87 HG LEU 87 -11.044 0.121 -34.503 460 1HD1 LEU 87 1HD1 LEU 87 -9.794 1.560 -36.114 461 2HD1 LEU 87 2HD1 LEU 87 -11.335 2.133 -36.751 462 3HD1 LEU 87 3HD1 LEU 87 -10.891 0.436 -36.915 463 1HD2 LEU 87 1HD2 LEU 87 -10.337 2.113 -33.510 464 2HD2 LEU 87 2HD2 LEU 87 -12.079 2.192 -33.244 465 3HD2 LEU 87 3HD2 LEU 87 -11.346 3.110 -34.559 466 H LYS 88 HN LYS 88 -14.260 -2.343 -36.673 467 HA LYS 88 HA LYS 88 -11.541 -3.107 -37.668 468 1HB LYS 88 2HB LYS 88 -12.617 -5.272 -38.341 469 2HB LYS 88 1HB LYS 88 -12.614 -5.008 -36.597 470 1HG LYS 88 2HG LYS 88 -14.910 -4.443 -36.559 471 2HG LYS 88 1HG LYS 88 -14.956 -4.166 -38.300 472 1HD LYS 88 2HD LYS 88 -15.108 -6.408 -38.794 473 2HD LYS 88 1HD LYS 88 -14.160 -6.889 -37.386 474 1HE LYS 88 2HE LYS 88 -15.988 -6.860 -35.970 475 2HE LYS 88 1HE LYS 88 -16.833 -5.635 -36.916 476 1HZ LYS 88 1HZ LYS 88 -17.515 -7.189 -38.473 477 2HZ LYS 88 2HZ LYS 88 -17.674 -8.034 -37.008 478 3HZ LYS 88 3HZ LYS 88 -16.341 -8.327 -38.020 479 1H ARG 31 1H ARG 31 4.745 -11.940 -33.739 480 2H ARG 31 2H ARG 31 3.064 -12.089 -33.937 481 3H ARG 31 3H ARG 31 3.798 -12.586 -32.488 482 HA ARG 31 HA ARG 31 4.303 -10.384 -31.853 483 1HB ARG 31 2HB ARG 31 4.614 -9.918 -34.510 484 2HB ARG 31 1HB ARG 31 3.045 -9.158 -34.249 485 1HG ARG 31 2HG ARG 31 4.345 -7.370 -33.644 486 2HG ARG 31 1HG ARG 31 4.363 -8.205 -32.090 487 1HD ARG 31 2HD ARG 31 6.469 -9.315 -32.688 488 2HD ARG 31 1HD ARG 31 6.446 -8.535 -34.270 489 HE ARG 31 HE ARG 31 7.213 -6.555 -33.249 490 1HH1 ARG 31 1HH2 ARG 31 5.980 -8.760 -30.831 491 2HH1 ARG 31 2HH2 ARG 31 6.527 -7.782 -29.514 492 1HH2 ARG 31 1HH1 ARG 31 7.904 -5.320 -31.516 493 2HH2 ARG 31 2HH1 ARG 31 7.605 -5.854 -29.897 494 H SER 32 H SER 32 2.485 -11.559 -30.672 495 HA SER 32 HA SER 32 -0.252 -11.171 -31.405 496 1HB SER 32 2HB SER 32 0.679 -11.408 -28.556 497 2HB SER 32 1HB SER 32 -0.792 -12.041 -29.288 498 HG SER 32 HG SER 32 1.165 -13.483 -28.877 499 H ASP 33 H ASP 33 2.072 -9.135 -29.755 500 HA ASP 33 HA ASP 33 0.032 -7.297 -28.769 501 1HB ASP 33 2HB ASP 33 2.001 -5.896 -28.109 502 2HB ASP 33 1HB ASP 33 2.037 -7.529 -27.445 503 H ALA 34 H ALA 34 0.928 -7.848 -31.838 504 HA ALA 34 HA ALA 34 1.339 -5.056 -32.633 505 1HB ALA 34 1HB ALA 34 1.550 -7.717 -33.956 506 2HB ALA 34 2HB ALA 34 2.664 -6.350 -34.000 507 3HB ALA 34 3HB ALA 34 1.197 -6.323 -34.977 508 H GLU 35 H GLU 35 -1.323 -6.788 -31.772 509 HA GLU 35 HA GLU 35 -3.082 -6.105 -33.994 510 1HB GLU 35 2HB GLU 35 -3.828 -7.042 -31.210 511 2HB GLU 35 1HB GLU 35 -4.860 -7.050 -32.635 512 1HG GLU 35 2HG GLU 35 -2.255 -8.442 -32.926 513 2HG GLU 35 1HG GLU 35 -3.414 -9.202 -31.838 514 HA PRO 36 HA PRO 36 -4.567 -2.696 -30.960 515 1HB PRO 36 2HB PRO 36 -3.103 -2.208 -28.706 516 2HB PRO 36 1HB PRO 36 -4.414 -3.396 -28.774 517 1HG PRO 36 2HG PRO 36 -1.509 -3.818 -28.614 518 2HG PRO 36 1HG PRO 36 -2.834 -4.904 -28.172 519 1HD PRO 36 2HD PRO 36 -1.243 -4.985 -30.542 520 2HD PRO 36 1HD PRO 36 -2.625 -6.008 -30.140 521 H HIS 37 H HIS 37 -1.008 -2.948 -30.831 522 HA HIS 37 HA HIS 37 0.643 -1.560 -31.735 523 1HB HIS 37 2HB HIS 37 -1.337 -1.030 -33.446 524 2HB HIS 37 1HB HIS 37 -1.287 0.534 -32.632 525 HD1 HIS 37 HD1 HIS 37 0.976 -1.852 -34.530 526 HD2 HIS 37 HD2 HIS 37 0.875 2.147 -33.354 527 HE1 HIS 37 HE1 HIS 37 2.937 -0.720 -35.669 528 H TYR 38 H TYR 38 -1.498 -0.729 -29.288 529 HA TYR 38 HA TYR 38 0.142 1.664 -28.584 530 1HB TYR 38 2HB TYR 38 -1.837 2.282 -27.109 531 2HB TYR 38 1HB TYR 38 -2.128 2.393 -28.843 532 HD1 TYR 38 HD1 TYR 38 -2.820 0.468 -25.772 533 HD2 TYR 38 HD2 TYR 38 -3.593 0.816 -29.983 534 HE1 TYR 38 HE1 TYR 38 -4.718 -1.115 -25.556 535 HE2 TYR 38 HE2 TYR 38 -5.488 -0.770 -29.767 536 HH TYR 38 HH TYR 38 -7.094 -1.428 -27.633 537 H LEU 39 H LEU 39 -1.217 -1.390 -27.504 538 HA LEU 39 HA LEU 39 -0.615 -1.288 -24.753 539 1HB LEU 39 2HB LEU 39 -1.423 -3.252 -26.645 540 2HB LEU 39 1HB LEU 39 -0.044 -3.921 -25.779 541 HG LEU 39 HG LEU 39 -2.114 -4.485 -24.598 542 1HD1 LEU 39 1HD1 LEU 39 0.116 -3.343 -23.442 543 2HD1 LEU 39 2HD1 LEU 39 -1.185 -4.139 -22.557 544 3HD1 LEU 39 3HD1 LEU 39 -1.193 -2.386 -22.749 545 1HD2 LEU 39 1HD2 LEU 39 -3.773 -2.961 -24.989 546 2HD2 LEU 39 2HD2 LEU 39 -2.649 -1.605 -25.073 547 3HD2 LEU 39 3HD2 LEU 39 -3.162 -2.228 -23.505 548 HA PRO 40 HA PRO 40 3.796 -2.970 -25.752 549 1HB PRO 40 2HB PRO 40 4.677 -2.802 -28.337 550 2HB PRO 40 1HB PRO 40 3.877 -4.227 -27.657 551 1HG PRO 40 2HG PRO 40 2.804 -2.155 -29.491 552 2HG PRO 40 1HG PRO 40 2.404 -3.872 -29.364 553 1HD PRO 40 2HD PRO 40 0.853 -1.794 -28.369 554 2HD PRO 40 1HD PRO 40 0.737 -3.487 -27.846 555 H GLN 41 H GLN 41 2.459 -0.107 -27.147 556 HA GLN 41 HA GLN 41 4.974 1.367 -27.339 557 1HB GLN 41 2HB GLN 41 3.020 1.968 -28.740 558 2HB GLN 41 1HB GLN 41 2.091 2.331 -27.287 559 1HG GLN 41 2HG GLN 41 2.949 4.414 -28.193 560 2HG GLN 41 1HG GLN 41 3.808 4.062 -26.692 561 1HE2 GLN 41 1HE2 GLN 41 5.824 5.066 -27.223 562 2HE2 GLN 41 2HE2 GLN 41 6.808 4.544 -28.502 563 H LEU 42 H LEU 42 2.429 0.842 -24.968 564 HA LEU 42 HA LEU 42 3.337 2.910 -23.164 565 1HB LEU 42 2HB LEU 42 1.497 0.542 -22.747 566 2HB LEU 42 1HB LEU 42 1.776 1.792 -21.560 567 HG LEU 42 HG LEU 42 0.198 3.104 -22.483 568 1HD1 LEU 42 1HD1 LEU 42 1.925 3.858 -24.176 569 2HD1 LEU 42 2HD1 LEU 42 0.252 3.987 -24.711 570 3HD1 LEU 42 3HD1 LEU 42 1.256 2.661 -25.283 571 1HD2 LEU 42 1HD2 LEU 42 -0.114 0.599 -24.089 572 2HD2 LEU 42 2HD2 LEU 42 -1.106 2.002 -24.492 573 3HD2 LEU 42 3HD2 LEU 42 -1.191 1.295 -22.878 574 H ARG 43 H ARG 43 3.697 -0.636 -23.370 575 HA ARG 43 HA ARG 43 5.102 -0.948 -20.906 576 1HB ARG 43 2HB ARG 43 5.783 -3.112 -21.744 577 2HB ARG 43 1HB ARG 43 4.132 -2.826 -22.256 578 1HG ARG 43 2HG ARG 43 4.978 -2.077 -24.469 579 2HG ARG 43 1HG ARG 43 6.613 -2.484 -23.955 580 1HD ARG 43 2HD ARG 43 5.685 -4.827 -23.441 581 2HD ARG 43 1HD ARG 43 4.277 -4.347 -24.389 582 HE ARG 43 HE ARG 43 6.798 -3.880 -25.780 583 1HH1 ARG 43 1HH2 ARG 43 4.306 -6.226 -25.055 584 2HH1 ARG 43 2HH2 ARG 43 4.644 -7.168 -26.465 585 1HH2 ARG 43 2HH1 ARG 43 7.199 -5.129 -27.591 586 2HH2 ARG 43 1HH1 ARG 43 6.264 -6.557 -27.886 587 H LYS 44 H LYS 44 6.281 -0.348 -24.233 588 HA LYS 44 HA LYS 44 9.035 -0.375 -23.505 589 1HB LYS 44 2HB LYS 44 9.443 0.688 -25.652 590 2HB LYS 44 1HB LYS 44 8.199 -0.533 -25.863 591 1HG LYS 44 2HG LYS 44 6.464 1.179 -25.794 592 2HG LYS 44 1HG LYS 44 7.663 2.425 -25.465 593 1HD LYS 44 2HD LYS 44 7.187 2.530 -27.818 594 2HD LYS 44 1HD LYS 44 8.777 1.787 -27.649 595 1HE LYS 44 2HE LYS 44 7.125 -0.407 -27.533 596 2HE LYS 44 1HE LYS 44 6.265 0.632 -28.667 597 1HZ LYS 44 1HZ LYS 44 7.917 -0.831 -29.732 598 2HZ LYS 44 2HZ LYS 44 9.148 -0.041 -28.870 599 3HZ LYS 44 3HZ LYS 44 8.219 0.815 -30.006 600 H ASP 45 H ASP 45 6.504 2.062 -23.366 601 HA ASP 45 HA ASP 45 8.174 4.331 -22.906 602 1HB ASP 45 2HB ASP 45 5.321 3.699 -22.156 603 2HB ASP 45 1HB ASP 45 6.077 5.231 -21.754 604 H ILE 46 H ILE 46 6.560 2.054 -20.641 605 HA ILE 46 HA ILE 46 7.512 3.289 -18.255 606 HB ILE 46 HB ILE 46 5.724 1.503 -18.388 607 1HG1 ILE 46 2HG1 ILE 46 7.967 0.963 -16.422 608 2HG1 ILE 46 1HG1 ILE 46 6.808 2.285 -16.276 609 1HG2 ILE 46 1HG2 ILE 46 8.058 -0.151 -19.147 610 2HG2 ILE 46 2HG2 ILE 46 6.351 -0.379 -19.486 611 3HG2 ILE 46 3HG2 ILE 46 7.007 -0.851 -17.923 612 1HD1 ILE 46 1HD1 ILE 46 5.627 -0.400 -16.706 613 2HD1 ILE 46 2HD1 ILE 46 5.109 0.901 -15.635 614 3HD1 ILE 46 3HD1 ILE 46 6.432 -0.162 -15.155 615 H LEU 47 H LEU 47 9.098 1.165 -20.550 616 HA LEU 47 HA LEU 47 11.338 0.455 -18.894 617 1HB LEU 47 2HB LEU 47 10.852 0.533 -21.868 618 2HB LEU 47 1HB LEU 47 12.455 0.186 -21.231 619 HG LEU 47 HG LEU 47 10.013 -1.315 -20.289 620 1HD1 LEU 47 1HD1 LEU 47 11.885 -2.495 -22.298 621 2HD1 LEU 47 2HD1 LEU 47 10.652 -1.376 -22.880 622 3HD1 LEU 47 3HD1 LEU 47 10.178 -2.840 -22.017 623 1HD2 LEU 47 1HD2 LEU 47 12.998 -1.590 -20.077 624 2HD2 LEU 47 2HD2 LEU 47 11.987 -3.033 -19.991 625 3HD2 LEU 47 3HD2 LEU 47 11.776 -1.736 -18.814 626 H GLU 48 H GLU 48 10.800 3.005 -21.323 627 HA GLU 48 HA GLU 48 13.342 4.295 -20.934 628 1HB GLU 48 2HB GLU 48 10.793 5.668 -21.815 629 2HB GLU 48 1HB GLU 48 12.450 6.132 -22.193 630 1HG GLU 48 2HG GLU 48 11.102 3.587 -23.117 631 2HG GLU 48 1HG GLU 48 11.344 5.025 -24.093 632 H VAL 49 H VAL 49 10.125 4.624 -19.537 633 HA VAL 49 HA VAL 49 10.583 6.967 -18.019 634 HB VAL 49 HB VAL 49 8.829 4.585 -17.322 635 1HG1 VAL 49 1HG1 VAL 49 9.392 6.297 -15.478 636 2HG1 VAL 49 2HG1 VAL 49 7.684 6.004 -15.799 637 3HG1 VAL 49 3HG1 VAL 49 8.465 7.451 -16.434 638 1HG2 VAL 49 1HG2 VAL 49 7.609 7.059 -18.368 639 2HG2 VAL 49 2HG2 VAL 49 7.291 5.379 -18.799 640 3HG2 VAL 49 3HG2 VAL 49 8.650 6.234 -19.528 641 H ILE 50 H ILE 50 10.883 3.527 -17.016 642 HA ILE 50 HA ILE 50 12.051 4.017 -14.466 643 HB ILE 50 HB ILE 50 12.617 1.691 -16.332 644 1HG1 ILE 50 2HG1 ILE 50 10.659 1.547 -14.083 645 2HG1 ILE 50 1HG1 ILE 50 10.154 2.397 -15.544 646 1HG2 ILE 50 1HG2 ILE 50 14.131 2.028 -14.313 647 2HG2 ILE 50 2HG2 ILE 50 13.268 0.490 -14.360 648 3HG2 ILE 50 3HG2 ILE 50 12.701 1.787 -13.308 649 1HD1 ILE 50 1HD1 ILE 50 11.245 -0.431 -15.441 650 2HD1 ILE 50 2HD1 ILE 50 10.742 0.421 -16.901 651 3HD1 ILE 50 3HD1 ILE 50 9.552 0.007 -15.667 652 H CYS 51 H CYS 51 13.365 4.300 -17.677 653 HA CYS 51 HA CYS 51 16.146 4.235 -16.889 654 1HB CYS 51 2HB CYS 51 15.133 3.845 -19.248 655 2HB CYS 51 1HB CYS 51 15.074 5.606 -19.353 656 HG CYS 51 HG CYS 51 17.735 5.533 -18.840 657 H LYS 52 H LYS 52 13.798 6.813 -17.620 658 HA LYS 52 HA LYS 52 15.509 9.044 -17.273 659 1HB LYS 52 2HB LYS 52 12.584 8.877 -16.493 660 2HB LYS 52 1HB LYS 52 13.492 10.351 -16.818 661 1HG LYS 52 2HG LYS 52 13.593 9.940 -19.113 662 2HG LYS 52 1HG LYS 52 13.335 8.206 -18.918 663 1HD LYS 52 2HD LYS 52 11.200 8.750 -19.552 664 2HD LYS 52 1HD LYS 52 11.031 9.124 -17.836 665 1HE LYS 52 2HE LYS 52 10.269 11.106 -18.766 666 2HE LYS 52 1HE LYS 52 11.985 11.479 -18.593 667 1HZ LYS 52 1HZ LYS 52 11.395 12.059 -20.782 668 2HZ LYS 52 2HZ LYS 52 10.550 10.607 -21.033 669 3HZ LYS 52 3HZ LYS 52 12.243 10.596 -20.914 670 H TYR 53 H TYR 53 13.864 7.034 -14.901 671 HA TYR 53 HA TYR 53 14.843 8.766 -12.700 672 1HB TYR 53 2HB TYR 53 12.912 6.426 -12.711 673 2HB TYR 53 1HB TYR 53 13.338 7.378 -11.303 674 HD1 TYR 53 HD1 TYR 53 11.882 9.097 -10.697 675 HD2 TYR 53 HD2 TYR 53 12.132 7.940 -14.818 676 HE1 TYR 53 HE1 TYR 53 10.077 10.700 -11.270 677 HE2 TYR 53 HE2 TYR 53 10.341 9.536 -15.392 678 HH TYR 53 HH TYR 53 9.395 11.657 -14.416 679 H VAL 54 H VAL 54 15.586 5.801 -14.333 680 HA VAL 54 HA VAL 54 17.714 5.239 -12.365 681 HB VAL 54 HB VAL 54 15.968 2.901 -13.129 682 1HG1 VAL 54 1HG1 VAL 54 17.316 3.311 -10.489 683 2HG1 VAL 54 2HG1 VAL 54 18.320 2.968 -11.899 684 3HG1 VAL 54 3HG1 VAL 54 17.074 1.822 -11.404 685 1HG2 VAL 54 1HG2 VAL 54 14.635 3.170 -11.096 686 2HG2 VAL 54 2HG2 VAL 54 14.442 4.604 -12.104 687 3HG2 VAL 54 3HG2 VAL 54 15.498 4.655 -10.693 688 H GLN 55 H GLN 55 17.781 2.406 -13.853 689 HA GLN 55 HA GLN 55 18.259 3.042 -16.613 690 1HB GLN 55 2HB GLN 55 20.334 3.762 -14.822 691 2HB GLN 55 1HB GLN 55 20.887 2.319 -15.667 692 1HG GLN 55 2HG GLN 55 20.031 3.531 -17.809 693 2HG GLN 55 1HG GLN 55 20.095 4.986 -16.815 694 1HE2 GLN 55 1HE2 GLN 55 21.939 3.224 -18.960 695 2HE2 GLN 55 2HE2 GLN 55 23.488 3.671 -18.426 696 H ILE 56 H ILE 56 17.435 1.147 -17.304 697 HA ILE 56 HA ILE 56 18.786 -1.366 -16.458 698 HB ILE 56 HB ILE 56 16.418 -2.430 -16.555 699 1HG1 ILE 56 2HG1 ILE 56 15.338 0.099 -15.469 700 2HG1 ILE 56 1HG1 ILE 56 15.667 0.142 -17.200 701 1HG2 ILE 56 1HG2 ILE 56 16.649 -0.692 -14.153 702 2HG2 ILE 56 2HG2 ILE 56 18.029 -1.722 -14.528 703 3HG2 ILE 56 3HG2 ILE 56 16.440 -2.439 -14.264 704 1HD1 ILE 56 1HD1 ILE 56 13.512 -0.729 -17.205 705 2HD1 ILE 56 2HD1 ILE 56 13.742 -1.580 -15.678 706 3HD1 ILE 56 3HD1 ILE 56 14.457 -2.217 -17.159 707 H ASP 57 H ASP 57 18.145 -3.185 -17.998 708 HA ASP 57 HA ASP 57 18.009 -2.076 -20.759 709 1HB ASP 57 2HB ASP 57 19.178 -4.552 -19.534 710 2HB ASP 57 1HB ASP 57 18.691 -4.595 -21.228 711 HA PRO 58 HA PRO 58 14.036 -3.908 -21.429 712 1HB PRO 58 2HB PRO 58 14.210 -4.805 -24.008 713 2HB PRO 58 1HB PRO 58 14.072 -3.093 -23.578 714 1HG PRO 58 2HG PRO 58 16.451 -4.628 -24.477 715 2HG PRO 58 1HG PRO 58 16.033 -2.929 -24.749 716 1HD PRO 58 2HD PRO 58 17.887 -3.838 -22.874 717 2HD PRO 58 1HD PRO 58 17.097 -2.246 -22.838 718 H GLU 59 H GLU 59 16.846 -5.898 -22.119 719 HA GLU 59 HA GLU 59 15.446 -8.423 -22.244 720 1HB GLU 59 2HB GLU 59 18.314 -7.632 -21.723 721 2HB GLU 59 1HB GLU 59 17.793 -9.314 -21.612 722 1HG GLU 59 2HG GLU 59 16.692 -8.751 -23.974 723 2HG GLU 59 1HG GLU 59 17.974 -7.540 -24.011 724 H MET 60 H MET 60 16.101 -6.248 -19.662 725 HA MET 60 HA MET 60 16.095 -8.353 -17.593 726 1HB MET 60 2HB MET 60 16.454 -5.363 -17.611 727 2HB MET 60 1HB MET 60 16.111 -6.206 -16.106 728 1HG MET 60 2HG MET 60 18.218 -7.479 -17.732 729 2HG MET 60 1HG MET 60 18.626 -5.857 -17.177 730 1HE MET 60 1HE MET 60 17.844 -5.061 -14.974 731 2HE MET 60 2HE MET 60 19.514 -5.430 -14.550 732 3HE MET 60 3HE MET 60 18.212 -5.897 -13.459 733 H VAL 61 H VAL 61 13.800 -6.475 -19.320 734 HA VAL 61 HA VAL 61 11.812 -6.756 -17.120 735 HB VAL 61 HB VAL 61 11.684 -5.053 -19.628 736 1HG1 VAL 61 1HG1 VAL 61 9.689 -4.137 -18.761 737 2HG1 VAL 61 2HG1 VAL 61 9.990 -4.779 -17.147 738 3HG1 VAL 61 3HG1 VAL 61 9.516 -5.865 -18.453 739 1HG2 VAL 61 1HG2 VAL 61 11.812 -3.298 -17.576 740 2HG2 VAL 61 2HG2 VAL 61 13.245 -3.875 -18.424 741 3HG2 VAL 61 3HG2 VAL 61 12.772 -4.610 -16.893 742 H THR 62 H THR 62 10.287 -8.331 -17.357 743 HA THR 62 HA THR 62 10.103 -9.765 -19.916 744 HB THR 62 HB THR 62 8.521 -10.418 -17.435 745 HG1 THR 62 HG1 THR 62 10.299 -11.642 -16.772 746 1HG2 THR 62 1HG2 THR 62 7.897 -11.722 -19.327 747 2HG2 THR 62 2HG2 THR 62 8.961 -12.752 -18.370 748 3HG2 THR 62 3HG2 THR 62 9.575 -11.950 -19.816 749 H VAL 63 H VAL 63 8.008 -10.199 -20.897 750 HA VAL 63 HA VAL 63 5.794 -8.385 -20.114 751 HB VAL 63 HB VAL 63 6.861 -8.584 -22.941 752 1HG1 VAL 63 1HG1 VAL 63 4.417 -8.167 -22.713 753 2HG1 VAL 63 2HG1 VAL 63 5.264 -6.778 -23.393 754 3HG1 VAL 63 3HG1 VAL 63 4.772 -6.767 -21.699 755 1HG2 VAL 63 1HG2 VAL 63 7.096 -6.361 -20.893 756 2HG2 VAL 63 2HG2 VAL 63 7.565 -6.225 -22.587 757 3HG2 VAL 63 3HG2 VAL 63 8.421 -7.340 -21.522 758 H GLN 64 H GLN 64 3.986 -9.616 -20.041 759 HA GLN 64 HA GLN 64 3.638 -11.784 -22.035 760 1HB GLN 64 2HB GLN 64 2.933 -13.344 -20.218 761 2HB GLN 64 1HB GLN 64 4.626 -12.873 -20.077 762 1HG GLN 64 2HG GLN 64 3.470 -10.906 -18.608 763 2HG GLN 64 1HG GLN 64 2.331 -12.216 -18.315 764 1HE2 GLN 64 1HE2 GLN 64 5.059 -10.872 -17.017 765 2HE2 GLN 64 2HE2 GLN 64 5.733 -12.242 -16.277 766 H LEU 65 H LEU 65 1.617 -11.627 -22.891 767 HA LEU 65 HA LEU 65 -0.387 -9.993 -21.453 768 1HB LEU 65 2HB LEU 65 -1.554 -9.992 -23.661 769 2HB LEU 65 1HB LEU 65 0.053 -9.282 -23.721 770 HG LEU 65 HG LEU 65 -0.037 -12.200 -24.208 771 1HD1 LEU 65 1HD1 LEU 65 -1.417 -10.210 -26.011 772 2HD1 LEU 65 2HD1 LEU 65 -2.010 -11.773 -25.449 773 3HD1 LEU 65 3HD1 LEU 65 -0.719 -11.698 -26.648 774 1HD2 LEU 65 1HD2 LEU 65 1.127 -10.221 -26.109 775 2HD2 LEU 65 2HD2 LEU 65 1.811 -11.726 -25.495 776 3HD2 LEU 65 3HD2 LEU 65 1.829 -10.277 -24.492 777 H GLU 66 H GLU 66 -2.662 -10.714 -21.540 778 HA GLU 66 HA GLU 66 -3.117 -13.607 -21.878 779 1HB GLU 66 2HB GLU 66 -3.367 -12.159 -19.235 780 2HB GLU 66 1HB GLU 66 -4.172 -13.691 -19.554 781 1HG GLU 66 2HG GLU 66 -1.189 -13.198 -19.758 782 2HG GLU 66 1HG GLU 66 -1.993 -13.991 -18.406 783 H GLN 67 H GLN 67 -5.575 -14.017 -21.255 784 HA GLN 67 HA GLN 67 -7.268 -11.649 -21.781 785 1HB GLN 67 2HB GLN 67 -7.043 -14.021 -23.648 786 2HB GLN 67 1HB GLN 67 -8.437 -12.942 -23.647 787 1HG GLN 67 2HG GLN 67 -7.002 -11.026 -24.137 788 2HG GLN 67 1HG GLN 67 -5.567 -12.046 -24.041 789 1HE2 GLN 67 1HE2 GLN 67 -4.904 -11.923 -26.244 790 2HE2 GLN 67 2HE2 GLN 67 -5.851 -12.498 -27.530 791 H LYS 68 H LYS 68 -9.517 -12.061 -21.277 792 HA LYS 68 HA LYS 68 -9.908 -14.536 -19.647 793 1HB LYS 68 2HB LYS 68 -11.041 -11.752 -19.356 794 2HB LYS 68 1HB LYS 68 -11.741 -13.139 -18.529 795 1HG LYS 68 2HG LYS 68 -10.143 -13.071 -16.945 796 2HG LYS 68 1HG LYS 68 -8.873 -13.157 -18.164 797 1HD LYS 68 2HD LYS 68 -8.564 -11.101 -16.939 798 2HD LYS 68 1HD LYS 68 -9.183 -10.677 -18.536 799 1HE LYS 68 2HE LYS 68 -10.496 -9.388 -17.047 800 2HE LYS 68 1HE LYS 68 -11.522 -10.765 -17.448 801 1HZ LYS 68 1HZ LYS 68 -9.971 -10.284 -14.980 802 2HZ LYS 68 2HZ LYS 68 -10.500 -11.842 -15.402 803 3HZ LYS 68 3HZ LYS 68 -11.629 -10.601 -15.141 804 H ASP 69 H ASP 69 -12.289 -15.219 -19.571 805 HA ASP 69 HA ASP 69 -13.238 -15.534 -22.289 806 1HB ASP 69 2HB ASP 69 -14.225 -16.454 -19.597 807 2HB ASP 69 1HB ASP 69 -15.172 -16.721 -21.060 808 H GLY 70 H GLY 70 -13.626 -12.990 -20.134 809 1HA GLY 70 2HA GLY 70 -16.422 -12.423 -20.957 810 2HA GLY 70 1HA GLY 70 -15.524 -11.558 -19.710 811 H ASP 71 H ASP 71 -14.226 -12.297 -22.899 812 HA ASP 71 HA ASP 71 -13.466 -10.889 -24.613 813 1HB ASP 71 2HB ASP 71 -15.918 -9.428 -23.632 814 2HB ASP 71 1HB ASP 71 -14.908 -8.747 -24.905 815 H ILE 72 H ILE 72 -12.005 -10.764 -22.312 816 HA ILE 72 HA ILE 72 -11.324 -7.861 -22.118 817 HB ILE 72 HB ILE 72 -10.993 -9.870 -19.882 818 1HG1 ILE 72 2HG1 ILE 72 -13.298 -7.993 -20.490 819 2HG1 ILE 72 1HG1 ILE 72 -13.369 -9.739 -20.318 820 1HG2 ILE 72 1HG2 ILE 72 -10.783 -7.811 -18.524 821 2HG2 ILE 72 2HG2 ILE 72 -10.989 -6.838 -19.981 822 3HG2 ILE 72 3HG2 ILE 72 -9.567 -7.867 -19.799 823 1HD1 ILE 72 1HD1 ILE 72 -13.556 -7.709 -18.260 824 2HD1 ILE 72 2HD1 ILE 72 -12.224 -8.810 -17.917 825 3HD1 ILE 72 3HD1 ILE 72 -13.854 -9.442 -18.140 826 H SER 73 H SER 73 -9.034 -7.456 -21.674 827 HA SER 73 HA SER 73 -7.241 -9.736 -22.431 828 1HB SER 73 2HB SER 73 -6.678 -6.883 -23.226 829 2HB SER 73 1HB SER 73 -6.021 -8.367 -23.908 830 HG SER 73 HG SER 73 -7.787 -8.624 -25.073 831 H ILE 74 H ILE 74 -4.982 -9.359 -21.703 832 HA ILE 74 HA ILE 74 -4.739 -7.513 -19.389 833 HB ILE 74 HB ILE 74 -4.164 -10.481 -19.344 834 1HG1 ILE 74 2HG1 ILE 74 -6.174 -8.844 -17.782 835 2HG1 ILE 74 1HG1 ILE 74 -6.564 -9.865 -19.162 836 1HG2 ILE 74 1HG2 ILE 74 -3.684 -8.316 -17.287 837 2HG2 ILE 74 2HG2 ILE 74 -2.485 -9.385 -18.015 838 3HG2 ILE 74 3HG2 ILE 74 -3.684 -10.036 -16.897 839 1HD1 ILE 74 1HD1 ILE 74 -6.391 -11.786 -17.955 840 2HD1 ILE 74 2HD1 ILE 74 -6.629 -10.721 -16.570 841 3HD1 ILE 74 3HD1 ILE 74 -4.999 -11.203 -17.041 842 H LEU 75 H LEU 75 -2.412 -7.321 -18.714 843 HA LEU 75 HA LEU 75 -0.407 -8.287 -20.597 844 1HB LEU 75 2HB LEU 75 -1.352 -6.197 -21.651 845 2HB LEU 75 1HB LEU 75 -0.771 -5.306 -20.247 846 HG LEU 75 HG LEU 75 1.419 -6.883 -21.103 847 1HD1 LEU 75 1HD1 LEU 75 1.562 -6.775 -23.385 848 2HD1 LEU 75 2HD1 LEU 75 0.664 -5.260 -23.476 849 3HD1 LEU 75 3HD1 LEU 75 -0.197 -6.785 -23.268 850 1HD2 LEU 75 1HD2 LEU 75 0.961 -3.959 -21.741 851 2HD2 LEU 75 2HD2 LEU 75 2.492 -4.765 -21.402 852 3HD2 LEU 75 3HD2 LEU 75 1.315 -4.529 -20.110 853 H GLU 76 H GLU 76 0.684 -9.233 -18.904 854 HA GLU 76 HA GLU 76 1.420 -7.564 -16.560 855 1HB GLU 76 2HB GLU 76 2.081 -10.478 -17.070 856 2HB GLU 76 1HB GLU 76 2.136 -9.626 -15.529 857 1HG GLU 76 2HG GLU 76 -0.317 -9.294 -15.635 858 2HG GLU 76 1HG GLU 76 -0.362 -10.168 -17.165 859 H LEU 77 H LEU 77 3.590 -7.008 -16.143 860 HA LEU 77 HA LEU 77 5.639 -7.964 -18.076 861 1HB LEU 77 2HB LEU 77 6.519 -5.589 -18.223 862 2HB LEU 77 1HB LEU 77 4.991 -5.870 -19.054 863 HG LEU 77 HG LEU 77 4.931 -4.948 -16.202 864 1HD1 LEU 77 1HD1 LEU 77 4.773 -2.582 -17.385 865 2HD1 LEU 77 2HD1 LEU 77 5.792 -3.366 -18.593 866 3HD1 LEU 77 3HD1 LEU 77 6.338 -3.251 -16.919 867 1HD2 LEU 77 1HD2 LEU 77 2.779 -5.374 -17.020 868 2HD2 LEU 77 2HD2 LEU 77 3.188 -4.840 -18.649 869 3HD2 LEU 77 3HD2 LEU 77 2.955 -3.654 -17.366 870 H ASN 78 H ASN 78 7.417 -8.601 -16.978 871 HA ASN 78 HA ASN 78 7.643 -7.947 -14.114 872 1HB ASN 78 2HB ASN 78 9.479 -9.650 -15.810 873 2HB ASN 78 1HB ASN 78 9.318 -9.666 -14.065 874 1HD2 ASN 78 1HD2 ASN 78 6.326 -9.534 -14.140 875 2HD2 ASN 78 2HD2 ASN 78 5.810 -11.066 -14.654 876 H VAL 79 H VAL 79 9.322 -6.684 -13.274 877 HA VAL 79 HA VAL 79 11.216 -5.511 -15.271 878 HB VAL 79 HB VAL 79 10.061 -4.011 -12.910 879 1HG1 VAL 79 1HG1 VAL 79 11.339 -2.941 -15.428 880 2HG1 VAL 79 2HG1 VAL 79 12.297 -3.382 -14.015 881 3HG1 VAL 79 3HG1 VAL 79 11.084 -2.108 -13.894 882 1HG2 VAL 79 1HG2 VAL 79 9.039 -2.898 -15.271 883 2HG2 VAL 79 2HG2 VAL 79 8.138 -3.862 -14.104 884 3HG2 VAL 79 3HG2 VAL 79 8.866 -4.636 -15.508 885 H THR 80 H THR 80 12.928 -6.864 -14.655 886 HA THR 80 HA THR 80 13.686 -7.101 -11.823 887 HB THR 80 HB THR 80 15.163 -8.050 -14.296 888 HG1 THR 80 HG1 THR 80 14.088 -9.982 -13.938 889 1HG2 THR 80 1HG2 THR 80 15.958 -9.763 -12.511 890 2HG2 THR 80 2HG2 THR 80 15.405 -8.566 -11.340 891 3HG2 THR 80 3HG2 THR 80 16.671 -8.149 -12.495 892 H LEU 81 H LEU 81 14.553 -5.232 -10.992 893 HA LEU 81 HA LEU 81 16.370 -3.586 -12.623 894 1HB LEU 81 2HB LEU 81 15.446 -3.262 -9.751 895 2HB LEU 81 1HB LEU 81 16.292 -2.056 -10.712 896 HG LEU 81 HG LEU 81 13.822 -3.166 -11.922 897 1HD1 LEU 81 1HD1 LEU 81 13.700 -1.192 -9.624 898 2HD1 LEU 81 2HD1 LEU 81 13.230 -2.887 -9.501 899 3HD1 LEU 81 3HD1 LEU 81 12.338 -1.800 -10.566 900 1HD2 LEU 81 1HD2 LEU 81 15.476 -1.191 -12.623 901 2HD2 LEU 81 2HD2 LEU 81 14.426 -0.259 -11.556 902 3HD2 LEU 81 3HD2 LEU 81 13.747 -1.095 -12.953 903 HA PRO 82 HA PRO 82 19.895 -5.638 -10.715 904 1HB PRO 82 2HB PRO 82 21.839 -4.081 -11.828 905 2HB PRO 82 1HB PRO 82 20.954 -5.319 -12.731 906 1HG PRO 82 2HG PRO 82 20.774 -2.390 -12.913 907 2HG PRO 82 1HG PRO 82 20.310 -3.622 -14.093 908 1HD PRO 82 2HD PRO 82 18.587 -2.154 -12.333 909 2HD PRO 82 1HD PRO 82 18.138 -3.442 -13.471 910 H GLU 83 H GLU 83 22.152 -4.630 -9.737 911 HA GLU 83 HA GLU 83 21.446 -3.308 -7.321 912 1HB GLU 83 2HB GLU 83 23.905 -4.210 -8.647 913 2HB GLU 83 1HB GLU 83 24.150 -2.772 -7.658 914 1HG GLU 83 2HG GLU 83 23.244 -3.869 -5.710 915 2HG GLU 83 1HG GLU 83 22.729 -5.257 -6.668 916 H ALA 84 H ALA 84 23.172 -1.209 -6.919 917 HA ALA 84 HA ALA 84 23.176 0.737 -9.024 918 1HB ALA 84 1HB ALA 84 20.674 0.484 -8.168 919 2HB ALA 84 2HB ALA 84 21.342 2.074 -8.540 920 3HB ALA 84 3HB ALA 84 21.256 1.523 -6.867 921 H GLU 85 H GLU 85 23.237 3.088 -7.663 922 HA GLU 85 HA GLU 85 25.733 3.021 -6.299 923 1HB GLU 85 2HB GLU 85 23.537 5.109 -6.306 924 2HB GLU 85 1HB GLU 85 25.135 5.366 -5.606 925 1HG GLU 85 2HG GLU 85 26.174 4.892 -7.794 926 2HG GLU 85 1HG GLU 85 24.576 4.639 -8.497 927 H GLU 86 H GLU 86 22.403 3.245 -5.040 928 HA GLU 86 HA GLU 86 21.545 2.805 -2.903 929 1HB GLU 86 2HB GLU 86 22.757 0.622 -3.358 930 2HB GLU 86 1HB GLU 86 24.124 1.277 -2.453 931 1HG GLU 86 2HG GLU 86 22.570 1.661 -0.514 932 2HG GLU 86 1HG GLU 86 21.313 0.814 -1.417 933 H LEU 87 H LEU 87 22.178 5.231 -2.747 934 HA LEU 87 HA LEU 87 24.427 5.753 -0.903 935 1HB LEU 87 2HB LEU 87 23.825 8.133 -1.220 936 2HB LEU 87 1HB LEU 87 24.056 7.314 -2.763 937 HG LEU 87 HG LEU 87 21.337 6.927 -2.173 938 1HD1 LEU 87 1HD1 LEU 87 20.536 9.263 -1.807 939 2HD1 LEU 87 2HD1 LEU 87 22.204 9.758 -1.523 940 3HD1 LEU 87 3HD1 LEU 87 21.422 8.622 -0.424 941 1HD2 LEU 87 1HD2 LEU 87 21.001 8.050 -4.193 942 2HD2 LEU 87 2HD2 LEU 87 22.697 7.585 -4.333 943 3HD2 LEU 87 3HD2 LEU 87 22.269 9.231 -3.863 944 H LYS 88 HN LYS 88 24.101 5.596 1.249 945 HA LYS 88 HA LYS 88 21.358 6.160 2.309 946 1HB LYS 88 2HB LYS 88 21.995 4.634 4.198 947 2HB LYS 88 1HB LYS 88 21.927 3.818 2.637 948 1HG LYS 88 2HG LYS 88 24.281 3.750 2.435 949 2HG LYS 88 1HG LYS 88 24.508 4.978 3.681 950 1HD LYS 88 2HD LYS 88 24.214 3.486 5.405 951 2HD LYS 88 1HD LYS 88 23.090 2.485 4.485 952 1HE LYS 88 2HE LYS 88 24.779 1.287 3.455 953 2HE LYS 88 1HE LYS 88 25.929 2.620 3.557 954 1HZ LYS 88 1HZ LYS 88 26.373 2.176 5.773 955 2HZ LYS 88 2HZ LYS 88 26.246 0.622 5.099 956 3HZ LYS 88 3HZ LYS 88 24.956 1.271 5.993 Start of MODEL 3 1 1H ARG 31 1H ARG 31 2.991 2.834 2.735 2 2H ARG 31 2H ARG 31 4.659 2.735 3.041 3 3H ARG 31 3H ARG 31 3.634 1.459 3.493 4 HA ARG 31 HA ARG 31 3.423 0.656 1.383 5 1HB ARG 31 2HB ARG 31 3.856 2.103 -0.624 6 2HB ARG 31 1HB ARG 31 2.517 2.660 0.378 7 1HG ARG 31 2HG ARG 31 4.886 3.862 1.417 8 2HG ARG 31 1HG ARG 31 4.934 4.060 -0.332 9 1HD ARG 31 2HD ARG 31 2.280 4.628 0.333 10 2HD ARG 31 1HD ARG 31 3.218 5.375 1.626 11 HE ARG 31 HE ARG 31 4.460 6.039 -0.839 12 1HH1 ARG 31 1HH2 ARG 31 1.478 6.640 0.887 13 2HH1 ARG 31 2HH2 ARG 31 1.240 8.181 0.141 14 1HH2 ARG 31 1HH1 ARG 31 4.112 8.038 -1.779 15 2HH2 ARG 31 2HH1 ARG 31 2.715 8.967 -1.352 16 H SER 32 H SER 32 5.060 -0.732 1.056 17 HA SER 32 HA SER 32 7.777 -0.183 1.736 18 1HB SER 32 2HB SER 32 6.719 -2.351 -0.096 19 2HB SER 32 1HB SER 32 8.274 -2.350 0.735 20 HG SER 32 HG SER 32 7.158 -3.330 2.235 21 H ASP 33 H ASP 33 5.972 0.625 -1.091 22 HA ASP 33 HA ASP 33 8.316 0.696 -2.837 23 1HB ASP 33 2HB ASP 33 5.567 1.837 -3.360 24 2HB ASP 33 1HB ASP 33 6.812 1.468 -4.553 25 H ALA 34 H ALA 34 7.758 2.555 -0.307 26 HA ALA 34 HA ALA 34 7.987 5.177 -1.599 27 1HB ALA 34 1HB ALA 34 8.300 4.845 1.346 28 2HB ALA 34 2HB ALA 34 6.717 4.489 0.653 29 3HB ALA 34 3HB ALA 34 7.432 6.088 0.444 30 H GLU 35 H GLU 35 10.046 2.696 -0.404 31 HA GLU 35 HA GLU 35 12.240 4.175 0.584 32 1HB GLU 35 2HB GLU 35 12.441 1.601 -1.000 33 2HB GLU 35 1HB GLU 35 13.578 2.209 0.194 34 1HG GLU 35 2HG GLU 35 10.864 2.024 1.272 35 2HG GLU 35 1HG GLU 35 11.453 0.470 0.689 36 HA PRO 36 HA PRO 36 13.910 4.558 -3.881 37 1HB PRO 36 2HB PRO 36 12.325 3.803 -5.971 38 2HB PRO 36 1HB PRO 36 13.405 2.691 -5.118 39 1HG PRO 36 2HG PRO 36 10.477 2.836 -5.083 40 2HG PRO 36 1HG PRO 36 11.544 1.498 -4.639 41 1HD PRO 36 2HD PRO 36 10.191 3.325 -2.888 42 2HD PRO 36 1HD PRO 36 11.266 1.994 -2.445 43 H HIS 37 H HIS 37 10.362 5.013 -3.988 44 HA HIS 37 HA HIS 37 9.089 6.954 -4.259 45 1HB HIS 37 2HB HIS 37 11.253 8.011 -3.105 46 2HB HIS 37 1HB HIS 37 11.465 8.708 -4.710 47 HD1 HIS 37 HD1 HIS 37 9.410 8.965 -1.642 48 HD2 HIS 37 HD2 HIS 37 9.231 10.386 -5.557 49 HE1 HIS 37 HE1 HIS 37 7.676 10.811 -1.656 50 H TYR 38 H TYR 38 11.085 5.588 -6.538 51 HA TYR 38 HA TYR 38 9.947 7.322 -8.685 52 1HB TYR 38 2HB TYR 38 11.896 6.471 -10.084 53 2HB TYR 38 1HB TYR 38 12.328 7.583 -8.787 54 HD1 TYR 38 HD1 TYR 38 12.370 4.056 -9.892 55 HD2 TYR 38 HD2 TYR 38 13.564 6.834 -6.842 56 HE1 TYR 38 HE1 TYR 38 13.892 2.349 -8.931 57 HE2 TYR 38 HE2 TYR 38 15.082 5.126 -5.879 58 HH TYR 38 HH TYR 38 16.330 2.918 -7.040 59 H LEU 39 H LEU 39 10.721 4.045 -7.619 60 HA LEU 39 HA LEU 39 9.943 2.515 -9.817 61 1HB LEU 39 2HB LEU 39 10.466 2.072 -7.080 62 2HB LEU 39 1HB LEU 39 8.887 1.353 -7.374 63 HG LEU 39 HG LEU 39 10.608 -0.320 -7.807 64 1HD1 LEU 39 1HD1 LEU 39 9.925 -1.038 -9.944 65 2HD1 LEU 39 2HD1 LEU 39 9.806 0.610 -10.561 66 3HD1 LEU 39 3HD1 LEU 39 8.595 0.001 -9.433 67 1HD2 LEU 39 1HD2 LEU 39 12.107 0.339 -9.926 68 2HD2 LEU 39 2HD2 LEU 39 12.606 0.725 -8.280 69 3HD2 LEU 39 3HD2 LEU 39 11.843 1.959 -9.283 70 HA PRO 40 HA PRO 40 5.330 2.755 -8.438 71 1HB PRO 40 2HB PRO 40 4.646 4.605 -6.542 72 2HB PRO 40 1HB PRO 40 5.094 2.933 -6.168 73 1HG PRO 40 2HG PRO 40 6.662 5.425 -5.828 74 2HG PRO 40 1HG PRO 40 6.703 3.924 -4.898 75 1HD PRO 40 2HD PRO 40 8.574 4.687 -6.824 76 2HD PRO 40 1HD PRO 40 8.356 3.039 -6.201 77 H GLN 41 H GLN 41 7.331 5.545 -8.859 78 HA GLN 41 HA GLN 41 5.233 7.335 -9.805 79 1HB GLN 41 2HB GLN 41 7.310 8.249 -8.865 80 2HB GLN 41 1HB GLN 41 8.260 7.403 -10.083 81 1HG GLN 41 2HG GLN 41 8.007 9.734 -10.749 82 2HG GLN 41 1HG GLN 41 7.083 8.717 -11.855 83 1HE2 GLN 41 1HE2 GLN 41 5.355 10.134 -12.379 84 2HE2 GLN 41 2HE2 GLN 41 4.293 10.787 -11.228 85 H LEU 42 H LEU 42 7.508 5.028 -11.191 86 HA LEU 42 HA LEU 42 6.960 5.744 -13.929 87 1HB LEU 42 2HB LEU 42 8.199 3.249 -12.741 88 2HB LEU 42 1HB LEU 42 8.160 3.626 -14.445 89 HG LEU 42 HG LEU 42 10.051 4.821 -14.271 90 1HD1 LEU 42 1HD1 LEU 42 9.051 6.377 -11.881 91 2HD1 LEU 42 2HD1 LEU 42 8.596 6.777 -13.535 92 3HD1 LEU 42 3HD1 LEU 42 10.284 6.851 -13.043 93 1HD2 LEU 42 1HD2 LEU 42 9.807 3.775 -11.478 94 2HD2 LEU 42 2HD2 LEU 42 11.125 4.881 -11.864 95 3HD2 LEU 42 3HD2 LEU 42 10.971 3.354 -12.733 96 H ARG 43 H ARG 43 5.875 3.125 -11.748 97 HA ARG 43 HA ARG 43 4.307 1.730 -13.664 98 1HB ARG 43 2HB ARG 43 3.194 0.692 -11.784 99 2HB ARG 43 1HB ARG 43 4.887 0.876 -11.382 100 1HG ARG 43 2HG ARG 43 4.346 2.938 -10.121 101 2HG ARG 43 1HG ARG 43 2.638 2.680 -10.466 102 1HD ARG 43 2HD ARG 43 2.862 0.402 -9.384 103 2HD ARG 43 1HD ARG 43 4.472 0.891 -8.854 104 HE ARG 43 HE ARG 43 3.449 2.192 -7.189 105 1HH1 ARG 43 1HH2 ARG 43 1.157 1.537 -9.749 106 2HH1 ARG 43 2HH2 ARG 43 -0.152 2.288 -8.904 107 1HH2 ARG 43 2HH1 ARG 43 1.726 3.153 -6.133 108 2HH2 ARG 43 1HH1 ARG 43 0.164 3.193 -6.879 109 H LYS 44 H LYS 44 3.460 4.433 -11.486 110 HA LYS 44 HA LYS 44 0.732 4.552 -12.312 111 1HB LYS 44 2HB LYS 44 0.726 6.787 -11.295 112 2HB LYS 44 1HB LYS 44 1.563 5.650 -10.248 113 1HG LYS 44 2HG LYS 44 3.707 6.476 -10.935 114 2HG LYS 44 1HG LYS 44 2.999 7.428 -12.235 115 1HD LYS 44 2HD LYS 44 3.431 8.975 -10.471 116 2HD LYS 44 1HD LYS 44 1.694 8.673 -10.425 117 1HE LYS 44 2HE LYS 44 2.500 6.706 -8.779 118 2HE LYS 44 1HE LYS 44 3.813 7.850 -8.500 119 1HZ LYS 44 1HZ LYS 44 2.011 9.563 -8.183 120 2HZ LYS 44 2HZ LYS 44 2.150 8.392 -6.960 121 3HZ LYS 44 3HZ LYS 44 0.909 8.276 -8.115 122 H ASP 45 H ASP 45 3.739 5.795 -13.634 123 HA ASP 45 HA ASP 45 2.576 7.650 -15.481 124 1HB ASP 45 2HB ASP 45 5.217 6.177 -15.439 125 2HB ASP 45 1HB ASP 45 4.791 7.327 -16.697 126 H ILE 46 H ILE 46 3.564 4.206 -15.781 127 HA ILE 46 HA ILE 46 2.841 3.949 -18.537 128 HB ILE 46 HB ILE 46 4.192 2.273 -17.206 129 1HG1 ILE 46 2HG1 ILE 46 1.800 1.133 -18.676 130 2HG1 ILE 46 1HG1 ILE 46 3.204 1.846 -19.466 131 1HG2 ILE 46 1HG2 ILE 46 1.562 1.878 -15.882 132 2HG2 ILE 46 2HG2 ILE 46 3.188 1.640 -15.266 133 3HG2 ILE 46 3HG2 ILE 46 2.453 0.421 -16.298 134 1HD1 ILE 46 1HD1 ILE 46 3.023 -0.792 -18.936 135 2HD1 ILE 46 2HD1 ILE 46 3.757 -0.248 -17.427 136 3HD1 ILE 46 3HD1 ILE 46 4.561 0.068 -18.964 137 H LEU 47 H LEU 47 0.930 3.965 -15.598 138 HA LEU 47 HA LEU 47 -1.490 2.900 -16.722 139 1HB LEU 47 2HB LEU 47 -0.847 4.623 -14.330 140 2HB LEU 47 1HB LEU 47 -2.517 4.306 -14.785 141 HG LEU 47 HG LEU 47 -0.522 2.071 -14.432 142 1HD1 LEU 47 1HD1 LEU 47 -2.069 3.619 -12.389 143 2HD1 LEU 47 2HD1 LEU 47 -0.463 2.901 -12.268 144 3HD1 LEU 47 3HD1 LEU 47 -1.896 1.878 -12.171 145 1HD2 LEU 47 1HD2 LEU 47 -2.908 1.051 -13.783 146 2HD2 LEU 47 2HD2 LEU 47 -2.374 1.151 -15.461 147 3HD2 LEU 47 3HD2 LEU 47 -3.470 2.369 -14.811 148 H GLU 48 H GLU 48 -0.179 6.170 -16.303 149 HA GLU 48 HA GLU 48 -2.417 7.504 -17.559 150 1HB GLU 48 2HB GLU 48 0.322 8.720 -17.646 151 2HB GLU 48 1HB GLU 48 -1.227 9.493 -17.326 152 1HG GLU 48 2HG GLU 48 -0.971 7.742 -15.196 153 2HG GLU 48 1HG GLU 48 0.680 8.274 -15.464 154 H VAL 49 H VAL 49 0.688 6.220 -18.599 155 HA VAL 49 HA VAL 49 0.673 7.203 -21.273 156 HB VAL 49 HB VAL 49 1.831 4.605 -20.207 157 1HG1 VAL 49 1HG1 VAL 49 1.847 5.902 -22.847 158 2HG1 VAL 49 2HG1 VAL 49 2.251 4.246 -22.403 159 3HG1 VAL 49 3HG1 VAL 49 3.461 5.516 -22.245 160 1HG2 VAL 49 1HG2 VAL 49 3.609 6.903 -20.719 161 2HG2 VAL 49 2HG2 VAL 49 3.562 5.803 -19.342 162 3HG2 VAL 49 3HG2 VAL 49 2.456 7.174 -19.413 163 H ILE 50 H ILE 50 -0.331 3.972 -20.040 164 HA ILE 50 HA ILE 50 -1.557 3.094 -22.463 165 HB ILE 50 HB ILE 50 -2.387 2.402 -19.627 166 1HG1 ILE 50 2HG1 ILE 50 -0.601 0.688 -21.310 167 2HG1 ILE 50 1HG1 ILE 50 0.108 2.090 -20.507 168 1HG2 ILE 50 1HG2 ILE 50 -3.036 1.342 -22.342 169 2HG2 ILE 50 2HG2 ILE 50 -4.054 1.448 -20.906 170 3HG2 ILE 50 3HG2 ILE 50 -2.839 0.176 -21.033 171 1HD1 ILE 50 1HD1 ILE 50 -0.661 1.305 -18.341 172 2HD1 ILE 50 2HD1 ILE 50 0.218 -0.005 -19.130 173 3HD1 ILE 50 3HD1 ILE 50 -1.545 -0.023 -19.094 174 H CYS 51 H CYS 51 -2.571 5.428 -20.101 175 HA CYS 51 HA CYS 51 -5.376 5.396 -20.798 176 1HB CYS 51 2HB CYS 51 -4.297 6.276 -18.621 177 2HB CYS 51 1HB CYS 51 -3.889 7.713 -19.558 178 HG CYS 51 HG CYS 51 -6.728 7.406 -20.074 179 H LYS 52 H LYS 52 -2.592 7.461 -21.637 180 HA LYS 52 HA LYS 52 -3.970 9.301 -23.308 181 1HB LYS 52 2HB LYS 52 -1.147 8.291 -23.738 182 2HB LYS 52 1HB LYS 52 -1.818 9.815 -24.306 183 1HG LYS 52 2HG LYS 52 -1.672 10.806 -22.245 184 2HG LYS 52 1HG LYS 52 -1.981 9.303 -21.379 185 1HD LYS 52 2HD LYS 52 0.257 9.379 -20.933 186 2HD LYS 52 1HD LYS 52 0.416 8.724 -22.562 187 1HE LYS 52 2HE LYS 52 1.852 10.594 -22.576 188 2HE LYS 52 1HE LYS 52 0.379 11.196 -23.338 189 1HZ LYS 52 1HZ LYS 52 1.400 11.698 -20.621 190 2HZ LYS 52 2HZ LYS 52 -0.264 11.830 -20.942 191 3HZ LYS 52 3HZ LYS 52 0.845 12.809 -21.778 192 H TYR 53 H TYR 53 -2.801 6.049 -23.929 193 HA TYR 53 HA TYR 53 -3.564 6.273 -26.787 194 1HB TYR 53 2HB TYR 53 -2.087 4.100 -25.268 195 2HB TYR 53 1HB TYR 53 -2.408 4.091 -26.989 196 HD1 TYR 53 HD1 TYR 53 -0.961 6.462 -24.445 197 HD2 TYR 53 HD2 TYR 53 -0.655 4.756 -28.367 198 HE1 TYR 53 HE1 TYR 53 1.130 7.713 -24.807 199 HE2 TYR 53 HE2 TYR 53 1.450 6.017 -28.735 200 HH TYR 53 HH TYR 53 3.287 7.012 -27.211 201 H VAL 54 H VAL 54 -4.737 5.043 -23.769 202 HA VAL 54 HA VAL 54 -7.030 3.799 -25.152 203 HB VAL 54 HB VAL 54 -5.673 2.129 -23.033 204 1HG1 VAL 54 1HG1 VAL 54 -8.052 1.815 -24.092 205 2HG1 VAL 54 2HG1 VAL 54 -7.011 0.408 -23.877 206 3HG1 VAL 54 3HG1 VAL 54 -7.155 1.163 -25.464 207 1HG2 VAL 54 1HG2 VAL 54 -4.467 0.876 -24.766 208 2HG2 VAL 54 2HG2 VAL 54 -3.946 2.561 -24.785 209 3HG2 VAL 54 3HG2 VAL 54 -5.071 1.973 -26.009 210 H GLN 55 H GLN 55 -7.515 2.495 -22.259 211 HA GLN 55 HA GLN 55 -7.704 4.711 -20.458 212 1HB GLN 55 2HB GLN 55 -9.791 4.492 -22.455 213 2HB GLN 55 1HB GLN 55 -10.465 4.286 -20.840 214 1HG GLN 55 2HG GLN 55 -9.775 6.406 -20.136 215 2HG GLN 55 1HG GLN 55 -8.525 6.518 -21.375 216 1HE2 GLN 55 1HE2 GLN 55 -11.857 7.213 -20.664 217 2HE2 GLN 55 2HE2 GLN 55 -12.271 7.827 -22.191 218 H ILE 56 H ILE 56 -7.299 3.500 -18.711 219 HA ILE 56 HA ILE 56 -9.197 1.314 -18.021 220 HB ILE 56 HB ILE 56 -7.117 0.081 -17.074 221 1HG1 ILE 56 2HG1 ILE 56 -5.567 1.179 -19.345 222 2HG1 ILE 56 1HG1 ILE 56 -5.786 2.295 -17.997 223 1HG2 ILE 56 1HG2 ILE 56 -7.042 -0.005 -20.040 224 2HG2 ILE 56 2HG2 ILE 56 -8.613 -0.270 -19.285 225 3HG2 ILE 56 3HG2 ILE 56 -7.253 -1.314 -18.877 226 1HD1 ILE 56 1HD1 ILE 56 -4.868 0.666 -16.436 227 2HD1 ILE 56 2HD1 ILE 56 -3.733 0.876 -17.770 228 3HD1 ILE 56 3HD1 ILE 56 -4.772 -0.549 -17.711 229 H ASP 57 H ASP 57 -8.895 0.722 -15.636 230 HA ASP 57 HA ASP 57 -8.410 3.232 -14.111 231 1HB ASP 57 2HB ASP 57 -10.073 0.773 -13.654 232 2HB ASP 57 1HB ASP 57 -9.544 1.720 -12.263 233 HA PRO 58 HA PRO 58 -4.827 1.517 -12.151 234 1HB PRO 58 2HB PRO 58 -5.034 2.478 -9.598 235 2HB PRO 58 1HB PRO 58 -4.591 3.486 -10.984 236 1HG PRO 58 2HG PRO 58 -7.169 3.321 -9.516 237 2HG PRO 58 1HG PRO 58 -6.419 4.701 -10.334 238 1HD PRO 58 2HD PRO 58 -8.513 3.170 -11.366 239 2HD PRO 58 1HD PRO 58 -7.445 4.219 -12.323 240 H GLU 59 H GLU 59 -7.929 0.975 -10.593 241 HA GLU 59 HA GLU 59 -7.044 -1.150 -8.840 242 1HB GLU 59 2HB GLU 59 -9.797 -0.568 -9.979 243 2HB GLU 59 1HB GLU 59 -9.455 -1.669 -8.644 244 1HG GLU 59 2HG GLU 59 -8.447 1.145 -8.467 245 2HG GLU 59 1HG GLU 59 -10.160 0.844 -8.172 246 H MET 60 H MET 60 -7.429 -0.946 -12.244 247 HA MET 60 HA MET 60 -8.059 -3.804 -12.594 248 1HB MET 60 2HB MET 60 -7.653 -1.452 -14.439 249 2HB MET 60 1HB MET 60 -7.653 -3.094 -15.069 250 1HG MET 60 2HG MET 60 -9.881 -2.526 -13.222 251 2HG MET 60 1HG MET 60 -9.908 -1.557 -14.693 252 1HE MET 60 1HE MET 60 -9.926 -3.924 -17.555 253 2HE MET 60 2HE MET 60 -9.243 -2.459 -16.854 254 3HE MET 60 3HE MET 60 -10.989 -2.613 -17.025 255 H VAL 61 H VAL 61 -5.287 -1.700 -12.433 256 HA VAL 61 HA VAL 61 -3.539 -3.743 -13.679 257 HB VAL 61 HB VAL 61 -2.877 -0.964 -12.656 258 1HG1 VAL 61 1HG1 VAL 61 -1.267 -2.423 -14.706 259 2HG1 VAL 61 2HG1 VAL 61 -1.087 -2.913 -13.023 260 3HG1 VAL 61 3HG1 VAL 61 -0.745 -1.250 -13.498 261 1HG2 VAL 61 1HG2 VAL 61 -3.988 -1.997 -15.213 262 2HG2 VAL 61 2HG2 VAL 61 -2.691 -0.811 -15.355 263 3HG2 VAL 61 3HG2 VAL 61 -4.161 -0.406 -14.470 264 H THR 62 H THR 62 -2.141 -4.983 -12.463 265 HA THR 62 HA THR 62 -2.232 -4.620 -9.525 266 HB THR 62 HB THR 62 -1.113 -7.051 -10.909 267 HG1 THR 62 HG1 THR 62 -3.114 -7.843 -11.154 268 1HG2 THR 62 1HG2 THR 62 -0.763 -6.933 -8.525 269 2HG2 THR 62 2HG2 THR 62 -2.041 -8.112 -8.819 270 3HG2 THR 62 3HG2 THR 62 -2.448 -6.495 -8.248 271 H VAL 63 H VAL 63 -0.184 -4.918 -8.335 272 HA VAL 63 HA VAL 63 2.285 -4.561 -9.948 273 HB VAL 63 HB VAL 63 1.549 -2.759 -7.628 274 1HG1 VAL 63 1HG1 VAL 63 3.520 -1.453 -8.538 275 2HG1 VAL 63 2HG1 VAL 63 3.856 -2.825 -9.594 276 3HG1 VAL 63 3HG1 VAL 63 3.942 -3.018 -7.843 277 1HG2 VAL 63 1HG2 VAL 63 1.469 -2.299 -10.620 278 2HG2 VAL 63 2HG2 VAL 63 1.401 -1.000 -9.429 279 3HG2 VAL 63 3HG2 VAL 63 0.116 -2.206 -9.492 280 H GLN 64 H GLN 64 3.639 -6.121 -9.218 281 HA GLN 64 HA GLN 64 3.704 -6.653 -6.285 282 1HB GLN 64 2HB GLN 64 4.058 -9.079 -6.843 283 2HB GLN 64 1HB GLN 64 2.460 -8.482 -7.287 284 1HG GLN 64 2HG GLN 64 4.481 -8.151 -9.409 285 2HG GLN 64 1HG GLN 64 4.163 -9.831 -8.988 286 1HE2 GLN 64 1HE2 GLN 64 2.265 -10.752 -9.822 287 2HE2 GLN 64 2HE2 GLN 64 1.020 -9.873 -10.569 288 H LEU 65 H LEU 65 5.794 -6.948 -5.447 289 HA LEU 65 HA LEU 65 8.015 -6.647 -7.406 290 1HB LEU 65 2HB LEU 65 9.268 -5.710 -5.448 291 2HB LEU 65 1HB LEU 65 7.897 -4.732 -5.951 292 HG LEU 65 HG LEU 65 7.270 -6.811 -3.940 293 1HD1 LEU 65 1HD1 LEU 65 9.282 -4.634 -3.448 294 2HD1 LEU 65 2HD1 LEU 65 9.273 -6.294 -2.857 295 3HD1 LEU 65 3HD1 LEU 65 8.178 -5.103 -2.155 296 1HD2 LEU 65 1HD2 LEU 65 6.584 -3.960 -4.568 297 2HD2 LEU 65 2HD2 LEU 65 6.289 -4.559 -2.936 298 3HD2 LEU 65 3HD2 LEU 65 5.511 -5.336 -4.314 299 H GLU 66 H GLU 66 9.942 -7.856 -7.031 300 HA GLU 66 HA GLU 66 9.807 -10.012 -4.994 301 1HB GLU 66 2HB GLU 66 10.159 -10.436 -7.972 302 2HB GLU 66 1HB GLU 66 10.567 -11.656 -6.774 303 1HG GLU 66 2HG GLU 66 7.841 -10.372 -7.099 304 2HG GLU 66 1HG GLU 66 8.285 -11.961 -7.720 305 H GLN 67 H GLN 67 12.030 -11.259 -5.114 306 HA GLN 67 HA GLN 67 14.250 -9.453 -5.911 307 1HB GLN 67 2HB GLN 67 13.517 -10.243 -3.116 308 2HB GLN 67 1HB GLN 67 15.227 -10.125 -3.530 309 1HG GLN 67 2HG GLN 67 15.138 -7.847 -3.838 310 2HG GLN 67 1HG GLN 67 13.470 -7.885 -4.411 311 1HE2 GLN 67 1HE2 GLN 67 12.092 -6.882 -2.949 312 2HE2 GLN 67 2HE2 GLN 67 12.258 -6.921 -1.261 313 H LYS 68 H LYS 68 16.341 -10.597 -5.924 314 HA LYS 68 HA LYS 68 15.996 -13.561 -6.114 315 1HB LYS 68 2HB LYS 68 17.793 -11.729 -7.718 316 2HB LYS 68 1HB LYS 68 17.836 -13.488 -7.805 317 1HG LYS 68 2HG LYS 68 16.020 -13.560 -9.147 318 2HG LYS 68 1HG LYS 68 15.114 -12.470 -8.099 319 1HD LYS 68 2HD LYS 68 15.383 -11.421 -10.277 320 2HD LYS 68 1HD LYS 68 16.364 -10.547 -9.100 321 1HE LYS 68 2HE LYS 68 17.846 -10.827 -10.901 322 2HE LYS 68 1HE LYS 68 18.267 -12.165 -9.834 323 1HZ LYS 68 1HZ LYS 68 17.190 -13.687 -11.170 324 2HZ LYS 68 2HZ LYS 68 17.867 -12.631 -12.316 325 3HZ LYS 68 3HZ LYS 68 16.218 -12.516 -11.921 326 H ASP 69 H ASP 69 18.117 -14.753 -5.744 327 HA ASP 69 HA ASP 69 19.269 -13.872 -3.243 328 1HB ASP 69 2HB ASP 69 20.043 -16.178 -5.048 329 2HB ASP 69 1HB ASP 69 20.588 -15.950 -3.386 330 H GLY 70 H GLY 70 19.988 -12.972 -6.407 331 1HA GLY 70 2HA GLY 70 22.904 -12.728 -5.897 332 2HA GLY 70 1HA GLY 70 22.109 -12.460 -7.447 333 H ASP 71 H ASP 71 20.937 -11.107 -4.421 334 HA ASP 71 HA ASP 71 20.646 -8.884 -3.741 335 1HB ASP 71 2HB ASP 71 23.290 -8.771 -5.190 336 2HB ASP 71 1HB ASP 71 22.559 -7.307 -4.532 337 H ILE 72 H ILE 72 19.102 -9.651 -5.868 338 HA ILE 72 HA ILE 72 19.083 -7.201 -7.580 339 HB ILE 72 HB ILE 72 18.153 -9.946 -8.446 340 1HG1 ILE 72 2HG1 ILE 72 20.840 -8.573 -8.771 341 2HG1 ILE 72 1HG1 ILE 72 20.523 -10.138 -8.043 342 1HG2 ILE 72 1HG2 ILE 72 17.143 -8.100 -9.658 343 2HG2 ILE 72 2HG2 ILE 72 18.341 -8.864 -10.702 344 3HG2 ILE 72 3HG2 ILE 72 18.717 -7.344 -9.892 345 1HD1 ILE 72 1HD1 ILE 72 21.469 -10.316 -10.353 346 2HD1 ILE 72 2HD1 ILE 72 20.031 -9.503 -10.968 347 3HD1 ILE 72 3HD1 ILE 72 19.889 -11.081 -10.195 348 H SER 73 H SER 73 16.901 -6.611 -8.350 349 HA SER 73 HA SER 73 14.727 -7.617 -6.554 350 1HB SER 73 2HB SER 73 15.003 -4.762 -7.520 351 2HB SER 73 1HB SER 73 13.874 -5.383 -6.319 352 HG SER 73 HG SER 73 16.710 -5.316 -6.121 353 H ILE 74 H ILE 74 12.539 -7.151 -7.480 354 HA ILE 74 HA ILE 74 12.480 -6.962 -10.444 355 HB ILE 74 HB ILE 74 11.239 -9.194 -8.823 356 1HG1 ILE 74 2HG1 ILE 74 13.475 -9.280 -10.862 357 2HG1 ILE 74 1HG1 ILE 74 13.692 -9.411 -9.119 358 1HG2 ILE 74 1HG2 ILE 74 9.782 -8.698 -10.660 359 2HG2 ILE 74 2HG2 ILE 74 10.713 -10.121 -11.125 360 3HG2 ILE 74 3HG2 ILE 74 11.142 -8.537 -11.771 361 1HD1 ILE 74 1HD1 ILE 74 11.792 -11.323 -9.533 362 2HD1 ILE 74 2HD1 ILE 74 13.525 -11.649 -9.510 363 3HD1 ILE 74 3HD1 ILE 74 12.691 -11.418 -11.047 364 H LEU 75 H LEU 75 10.185 -6.659 -11.198 365 HA LEU 75 HA LEU 75 8.196 -5.959 -9.200 366 1HB LEU 75 2HB LEU 75 9.619 -3.909 -9.318 367 2HB LEU 75 1HB LEU 75 9.241 -3.791 -11.035 368 HG LEU 75 HG LEU 75 6.829 -4.124 -9.408 369 1HD1 LEU 75 1HD1 LEU 75 8.851 -2.117 -8.596 370 2HD1 LEU 75 2HD1 LEU 75 7.522 -2.816 -7.673 371 3HD1 LEU 75 3HD1 LEU 75 7.212 -1.499 -8.803 372 1HD2 LEU 75 1HD2 LEU 75 7.010 -3.368 -11.815 373 2HD2 LEU 75 2HD2 LEU 75 7.698 -1.856 -11.224 374 3HD2 LEU 75 3HD2 LEU 75 6.047 -2.302 -10.791 375 H GLU 76 H GLU 76 6.783 -7.359 -10.177 376 HA GLU 76 HA GLU 76 6.265 -7.094 -13.085 377 1HB GLU 76 2HB GLU 76 5.004 -9.030 -11.123 378 2HB GLU 76 1HB GLU 76 5.026 -9.154 -12.879 379 1HG GLU 76 2HG GLU 76 7.493 -9.393 -12.820 380 2HG GLU 76 1HG GLU 76 7.451 -9.296 -11.062 381 H LEU 77 H LEU 77 4.450 -6.046 -13.831 382 HA LEU 77 HA LEU 77 2.340 -5.399 -11.818 383 1HB LEU 77 2HB LEU 77 1.937 -3.289 -13.160 384 2HB LEU 77 1HB LEU 77 3.464 -3.324 -12.282 385 HG LEU 77 HG LEU 77 3.424 -4.343 -15.094 386 1HD1 LEU 77 1HD1 LEU 77 2.183 -2.081 -14.916 387 2HD1 LEU 77 2HD1 LEU 77 3.523 -2.188 -16.058 388 3HD1 LEU 77 3HD1 LEU 77 3.756 -1.407 -14.495 389 1HD2 LEU 77 1HD2 LEU 77 5.587 -4.512 -14.360 390 2HD2 LEU 77 2HD2 LEU 77 5.349 -3.316 -13.087 391 3HD2 LEU 77 3HD2 LEU 77 5.649 -2.793 -14.744 392 H ASN 78 H ASN 78 0.374 -6.163 -12.378 393 HA ASN 78 HA ASN 78 0.031 -7.389 -15.032 394 1HB ASN 78 2HB ASN 78 -1.958 -7.227 -12.760 395 2HB ASN 78 1HB ASN 78 -1.955 -8.360 -14.095 396 1HD2 ASN 78 1HD2 ASN 78 1.014 -8.822 -13.917 397 2HD2 ASN 78 2HD2 ASN 78 1.241 -9.779 -12.537 398 H VAL 79 H VAL 79 -1.430 -6.622 -16.570 399 HA VAL 79 HA VAL 79 -2.863 -4.090 -15.883 400 HB VAL 79 HB VAL 79 -1.623 -4.721 -18.574 401 1HG1 VAL 79 1HG1 VAL 79 -3.634 -3.105 -18.245 402 2HG1 VAL 79 2HG1 VAL 79 -2.244 -2.529 -19.165 403 3HG1 VAL 79 3HG1 VAL 79 -2.454 -2.038 -17.484 404 1HG2 VAL 79 1HG2 VAL 79 -0.212 -2.602 -17.520 405 2HG2 VAL 79 2HG2 VAL 79 0.346 -4.272 -17.506 406 3HG2 VAL 79 3HG2 VAL 79 -0.465 -3.605 -16.092 407 H THR 80 H THR 80 -4.822 -5.217 -15.553 408 HA THR 80 HA THR 80 -5.892 -7.006 -17.607 409 HB THR 80 HB THR 80 -7.252 -5.756 -15.198 410 HG1 THR 80 HG1 THR 80 -6.041 -8.294 -15.555 411 1HG2 THR 80 1HG2 THR 80 -9.110 -6.942 -15.722 412 2HG2 THR 80 2HG2 THR 80 -8.175 -8.359 -16.199 413 3HG2 THR 80 3HG2 THR 80 -8.424 -7.042 -17.343 414 H LEU 81 H LEU 81 -6.180 -5.832 -19.518 415 HA LEU 81 HA LEU 81 -7.542 -3.237 -19.485 416 1HB LEU 81 2HB LEU 81 -6.646 -5.058 -21.743 417 2HB LEU 81 1HB LEU 81 -7.344 -3.459 -21.972 418 HG LEU 81 HG LEU 81 -5.037 -3.692 -20.097 419 1HD1 LEU 81 1HD1 LEU 81 -4.507 -3.395 -23.040 420 2HD1 LEU 81 2HD1 LEU 81 -4.633 -5.009 -22.338 421 3HD1 LEU 81 3HD1 LEU 81 -3.404 -3.887 -21.755 422 1HD2 LEU 81 1HD2 LEU 81 -6.351 -1.674 -21.846 423 2HD2 LEU 81 2HD2 LEU 81 -4.603 -1.529 -21.664 424 3HD2 LEU 81 3HD2 LEU 81 -5.643 -1.481 -20.242 425 HA PRO 82 HA PRO 82 -11.565 -5.176 -19.911 426 1HB PRO 82 2HB PRO 82 -13.005 -2.910 -20.409 427 2HB PRO 82 1HB PRO 82 -12.392 -3.344 -18.806 428 1HG PRO 82 2HG PRO 82 -11.483 -1.234 -20.645 429 2HG PRO 82 1HG PRO 82 -11.284 -1.368 -18.892 430 1HD PRO 82 2HD PRO 82 -9.329 -1.923 -20.899 431 2HD PRO 82 1HD PRO 82 -9.183 -2.178 -19.147 432 H GLU 83 H GLU 83 -13.594 -4.546 -21.585 433 HA GLU 83 HA GLU 83 -12.853 -5.618 -24.091 434 1HB GLU 83 2HB GLU 83 -15.248 -4.242 -22.992 435 2HB GLU 83 1HB GLU 83 -15.117 -4.316 -24.749 436 1HG GLU 83 2HG GLU 83 -15.156 -6.655 -24.789 437 2HG GLU 83 1HG GLU 83 -14.640 -6.788 -23.106 438 H ALA 84 H ALA 84 -12.861 -4.562 -26.216 439 HA ALA 84 HA ALA 84 -12.797 -1.743 -26.588 440 1HB ALA 84 1HB ALA 84 -10.573 -2.440 -25.231 441 2HB ALA 84 2HB ALA 84 -10.582 -1.141 -26.423 442 3HB ALA 84 3HB ALA 84 -10.007 -2.746 -26.873 443 H GLU 85 H GLU 85 -11.753 -1.229 -28.810 444 HA GLU 85 HA GLU 85 -11.188 -3.349 -30.652 445 1HB GLU 85 2HB GLU 85 -14.019 -2.597 -30.250 446 2HB GLU 85 1HB GLU 85 -13.496 -2.610 -31.934 447 1HG GLU 85 2HG GLU 85 -12.369 -4.923 -31.089 448 2HG GLU 85 1HG GLU 85 -13.773 -4.866 -30.022 449 H GLU 86 H GLU 86 -13.013 -0.266 -30.754 450 HA GLU 86 HA GLU 86 -10.858 1.273 -31.809 451 1HB GLU 86 2HB GLU 86 -11.584 -0.427 -33.725 452 2HB GLU 86 1HB GLU 86 -12.853 0.771 -33.982 453 1HG GLU 86 2HG GLU 86 -10.091 1.822 -33.641 454 2HG GLU 86 1HG GLU 86 -10.423 0.958 -35.143 455 H LEU 87 H LEU 87 -12.937 1.575 -29.879 456 HA LEU 87 HA LEU 87 -14.790 3.555 -31.101 457 1HB LEU 87 2HB LEU 87 -14.774 1.931 -28.591 458 2HB LEU 87 1HB LEU 87 -15.607 3.485 -28.559 459 HG LEU 87 HG LEU 87 -16.671 2.652 -30.810 460 1HD1 LEU 87 1HD1 LEU 87 -16.310 -0.037 -29.520 461 2HD1 LEU 87 2HD1 LEU 87 -15.058 0.575 -30.601 462 3HD1 LEU 87 3HD1 LEU 87 -16.704 0.352 -31.195 463 1HD2 LEU 87 1HD2 LEU 87 -17.392 1.604 -28.057 464 2HD2 LEU 87 2HD2 LEU 87 -18.457 1.474 -29.456 465 3HD2 LEU 87 3HD2 LEU 87 -18.005 3.062 -28.836 466 H LYS 88 HN LYS 88 -14.955 5.694 -30.180 467 HA LYS 88 HA LYS 88 -12.532 6.537 -28.636 468 1HB LYS 88 2HB LYS 88 -12.937 7.233 -31.203 469 2HB LYS 88 1HB LYS 88 -13.891 8.496 -30.424 470 1HG LYS 88 2HG LYS 88 -11.754 8.699 -28.870 471 2HG LYS 88 1HG LYS 88 -10.945 7.973 -30.260 472 1HD LYS 88 2HD LYS 88 -12.803 10.298 -30.674 473 2HD LYS 88 1HD LYS 88 -11.154 10.586 -30.116 474 1HE LYS 88 2HE LYS 88 -10.289 9.300 -32.052 475 2HE LYS 88 1HE LYS 88 -11.942 9.072 -32.624 476 1HZ LYS 88 1HZ LYS 88 -10.611 11.696 -32.215 477 2HZ LYS 88 2HZ LYS 88 -12.189 11.458 -32.799 478 3HZ LYS 88 3HZ LYS 88 -10.855 10.942 -33.715 479 1H ARG 31 1H ARG 31 5.630 -9.847 -34.777 480 2H ARG 31 2H ARG 31 3.961 -9.749 -35.081 481 3H ARG 31 3H ARG 31 4.659 -11.229 -34.625 482 HA ARG 31 HA ARG 31 4.842 -10.664 -32.438 483 1HB ARG 31 2HB ARG 31 4.867 -8.263 -31.699 484 2HB ARG 31 1HB ARG 31 6.219 -8.698 -32.741 485 1HG ARG 31 2HG ARG 31 4.093 -7.867 -34.451 486 2HG ARG 31 1HG ARG 31 4.210 -6.676 -33.158 487 1HD ARG 31 2HD ARG 31 6.871 -7.186 -33.844 488 2HD ARG 31 1HD ARG 31 6.024 -7.162 -35.390 489 HE ARG 31 HE ARG 31 5.126 -4.933 -33.879 490 1HH1 ARG 31 1HH2 ARG 31 8.040 -6.109 -35.416 491 2HH1 ARG 31 2HH2 ARG 31 8.652 -4.517 -35.702 492 1HH2 ARG 31 1HH1 ARG 31 5.955 -2.892 -34.271 493 2HH2 ARG 31 2HH1 ARG 31 7.485 -2.714 -35.063 494 H SER 32 H SER 32 2.975 -11.208 -31.474 495 HA SER 32 HA SER 32 0.395 -10.602 -32.534 496 1HB SER 32 2HB SER 32 1.094 -11.445 -29.710 497 2HB SER 32 1HB SER 32 -0.479 -11.602 -30.488 498 HG SER 32 HG SER 32 0.296 -13.485 -31.045 499 H ASP 33 H ASP 33 2.523 -8.694 -30.603 500 HA ASP 33 HA ASP 33 0.375 -7.116 -29.400 501 1HB ASP 33 2HB ASP 33 3.333 -6.501 -29.455 502 2HB ASP 33 1HB ASP 33 2.125 -5.823 -28.364 503 H ALA 34 H ALA 34 1.137 -7.268 -32.492 504 HA ALA 34 HA ALA 34 1.559 -4.412 -33.006 505 1HB ALA 34 1HB ALA 34 0.978 -6.335 -35.208 506 2HB ALA 34 2HB ALA 34 2.494 -6.541 -34.330 507 3HB ALA 34 3HB ALA 34 2.150 -5.018 -35.150 508 H GLU 35 H GLU 35 -1.057 -6.617 -32.658 509 HA GLU 35 HA GLU 35 -2.953 -5.576 -34.476 510 1HB GLU 35 2HB GLU 35 -3.582 -6.614 -31.700 511 2HB GLU 35 1HB GLU 35 -4.646 -6.599 -33.100 512 1HG GLU 35 2HG GLU 35 -2.114 -7.951 -33.671 513 2HG GLU 35 1HG GLU 35 -2.977 -8.699 -32.329 514 HA PRO 36 HA PRO 36 -4.187 -2.301 -31.218 515 1HB PRO 36 2HB PRO 36 -2.655 -1.999 -28.976 516 2HB PRO 36 1HB PRO 36 -4.004 -3.140 -29.086 517 1HG PRO 36 2HG PRO 36 -1.121 -3.668 -28.995 518 2HG PRO 36 1HG PRO 36 -2.476 -4.748 -28.641 519 1HD PRO 36 2HD PRO 36 -0.892 -4.634 -31.033 520 2HD PRO 36 1HD PRO 36 -2.253 -5.707 -30.684 521 H HIS 37 H HIS 37 -0.623 -2.634 -31.149 522 HA HIS 37 HA HIS 37 1.046 -1.229 -31.983 523 1HB HIS 37 2HB HIS 37 -0.919 -0.622 -33.684 524 2HB HIS 37 1HB HIS 37 -0.865 0.910 -32.813 525 HD1 HIS 37 HD1 HIS 37 0.978 -1.126 -35.295 526 HD2 HIS 37 HD2 HIS 37 1.726 2.244 -32.959 527 HE1 HIS 37 HE1 HIS 37 3.060 -0.043 -36.246 528 H TYR 38 H TYR 38 -1.029 -0.534 -29.482 529 HA TYR 38 HA TYR 38 0.598 1.839 -28.688 530 1HB TYR 38 2HB TYR 38 -1.385 2.409 -27.196 531 2HB TYR 38 1HB TYR 38 -1.661 2.609 -28.926 532 HD1 TYR 38 HD1 TYR 38 -2.372 0.510 -25.967 533 HD2 TYR 38 HD2 TYR 38 -3.160 1.142 -30.141 534 HE1 TYR 38 HE1 TYR 38 -4.284 -1.065 -25.845 535 HE2 TYR 38 HE2 TYR 38 -5.068 -0.436 -30.021 536 HH TYR 38 HH TYR 38 -6.673 -1.214 -27.875 537 H LEU 39 H LEU 39 -0.926 -1.183 -27.678 538 HA LEU 39 HA LEU 39 -0.338 -1.252 -24.952 539 1HB LEU 39 2HB LEU 39 -1.131 -3.094 -26.937 540 2HB LEU 39 1HB LEU 39 0.275 -3.818 -26.167 541 HG LEU 39 HG LEU 39 -1.727 -4.507 -24.954 542 1HD1 LEU 39 1HD1 LEU 39 -1.064 -3.957 -22.762 543 2HD1 LEU 39 2HD1 LEU 39 -0.556 -2.332 -23.223 544 3HD1 LEU 39 3HD1 LEU 39 0.418 -3.726 -23.693 545 1HD2 LEU 39 1HD2 LEU 39 -2.900 -2.429 -23.737 546 2HD2 LEU 39 2HD2 LEU 39 -3.419 -2.988 -25.327 547 3HD2 LEU 39 3HD2 LEU 39 -2.345 -1.597 -25.189 548 HA PRO 40 HA PRO 40 4.113 -2.852 -25.883 549 1HB PRO 40 2HB PRO 40 5.039 -2.665 -28.451 550 2HB PRO 40 1HB PRO 40 4.223 -4.095 -27.802 551 1HG PRO 40 2HG PRO 40 3.199 -2.016 -29.649 552 2HG PRO 40 1HG PRO 40 2.775 -3.726 -29.520 553 1HD PRO 40 2HD PRO 40 1.249 -1.602 -28.546 554 2HD PRO 40 1HD PRO 40 1.067 -3.302 -28.065 555 H GLN 41 H GLN 41 2.784 -0.001 -27.321 556 HA GLN 41 HA GLN 41 5.275 1.508 -27.464 557 1HB GLN 41 2HB GLN 41 3.377 2.111 -28.903 558 2HB GLN 41 1HB GLN 41 2.357 2.367 -27.491 559 1HG GLN 41 2HG GLN 41 3.144 4.524 -28.304 560 2HG GLN 41 1HG GLN 41 3.907 4.183 -26.751 561 1HE2 GLN 41 1HE2 GLN 41 5.928 5.233 -27.039 562 2HE2 GLN 41 2HE2 GLN 41 7.021 4.842 -28.278 563 H LEU 42 H LEU 42 2.664 1.002 -25.151 564 HA LEU 42 HA LEU 42 3.541 3.053 -23.324 565 1HB LEU 42 2HB LEU 42 1.723 0.669 -22.904 566 2HB LEU 42 1HB LEU 42 1.959 1.955 -21.748 567 HG LEU 42 HG LEU 42 0.356 3.188 -22.723 568 1HD1 LEU 42 1HD1 LEU 42 1.495 2.788 -25.494 569 2HD1 LEU 42 2HD1 LEU 42 2.139 3.975 -24.363 570 3HD1 LEU 42 3HD1 LEU 42 0.474 4.102 -24.920 571 1HD2 LEU 42 1HD2 LEU 42 0.178 0.679 -24.343 572 2HD2 LEU 42 2HD2 LEU 42 -0.845 2.049 -24.773 573 3HD2 LEU 42 3HD2 LEU 42 -0.959 1.333 -23.166 574 H ARG 43 H ARG 43 3.892 -0.503 -23.470 575 HA ARG 43 HA ARG 43 5.259 -0.800 -20.995 576 1HB ARG 43 2HB ARG 43 5.993 -2.951 -21.824 577 2HB ARG 43 1HB ARG 43 4.352 -2.685 -22.375 578 1HG ARG 43 2HG ARG 43 5.229 -1.930 -24.565 579 2HG ARG 43 1HG ARG 43 6.864 -2.290 -24.015 580 1HD ARG 43 2HD ARG 43 6.087 -4.658 -23.567 581 2HD ARG 43 1HD ARG 43 4.585 -4.247 -24.394 582 HE ARG 43 HE ARG 43 5.740 -4.424 -26.429 583 1HH1 ARG 43 1HH2 ARG 43 8.015 -3.918 -23.820 584 2HH1 ARG 43 2HH2 ARG 43 9.392 -4.105 -24.850 585 1HH2 ARG 43 2HH1 ARG 43 7.550 -4.658 -27.725 586 2HH2 ARG 43 1HH1 ARG 43 9.133 -4.519 -27.037 587 H LYS 44 H LYS 44 6.505 -0.147 -24.280 588 HA LYS 44 HA LYS 44 9.247 -0.147 -23.494 589 1HB LYS 44 2HB LYS 44 9.655 1.000 -25.625 590 2HB LYS 44 1HB LYS 44 8.525 -0.326 -25.861 591 1HG LYS 44 2HG LYS 44 6.657 1.177 -25.941 592 2HG LYS 44 1HG LYS 44 7.641 2.534 -25.403 593 1HD LYS 44 2HD LYS 44 7.425 2.799 -27.763 594 2HD LYS 44 1HD LYS 44 9.051 2.167 -27.501 595 1HE LYS 44 2HE LYS 44 7.733 -0.165 -27.730 596 2HE LYS 44 1HE LYS 44 6.676 0.843 -28.719 597 1HZ LYS 44 1HZ LYS 44 8.773 1.613 -29.854 598 2HZ LYS 44 2HZ LYS 44 8.304 0.009 -30.163 599 3HZ LYS 44 3HZ LYS 44 9.570 0.334 -29.077 600 H ASP 45 H ASP 45 6.671 2.237 -23.368 601 HA ASP 45 HA ASP 45 8.327 4.525 -22.886 602 1HB ASP 45 2HB ASP 45 5.438 3.908 -22.238 603 2HB ASP 45 1HB ASP 45 6.185 5.456 -21.870 604 H ILE 46 H ILE 46 6.655 2.220 -20.690 605 HA ILE 46 HA ILE 46 7.498 3.484 -18.266 606 HB ILE 46 HB ILE 46 5.734 1.679 -18.450 607 1HG1 ILE 46 2HG1 ILE 46 7.927 1.144 -16.428 608 2HG1 ILE 46 1HG1 ILE 46 6.763 2.464 -16.307 609 1HG2 ILE 46 1HG2 ILE 46 8.121 0.035 -19.102 610 2HG2 ILE 46 2HG2 ILE 46 6.443 -0.167 -19.572 611 3HG2 ILE 46 3HG2 ILE 46 6.972 -0.669 -17.973 612 1HD1 ILE 46 1HD1 ILE 46 6.344 0.052 -15.174 613 2HD1 ILE 46 2HD1 ILE 46 5.640 -0.253 -16.761 614 3HD1 ILE 46 3HD1 ILE 46 5.029 1.067 -15.763 615 H LEU 47 H LEU 47 9.159 1.365 -20.511 616 HA LEU 47 HA LEU 47 11.371 0.680 -18.811 617 1HB LEU 47 2HB LEU 47 10.942 0.758 -21.797 618 2HB LEU 47 1HB LEU 47 12.536 0.424 -21.127 619 HG LEU 47 HG LEU 47 10.091 -1.106 -20.238 620 1HD1 LEU 47 1HD1 LEU 47 11.785 -1.424 -22.687 621 2HD1 LEU 47 2HD1 LEU 47 10.059 -1.717 -22.476 622 3HD1 LEU 47 3HD1 LEU 47 11.233 -2.876 -21.853 623 1HD2 LEU 47 1HD2 LEU 47 12.156 -2.790 -19.997 624 2HD2 LEU 47 2HD2 LEU 47 11.774 -1.614 -18.740 625 3HD2 LEU 47 3HD2 LEU 47 13.054 -1.276 -19.904 626 H GLU 48 H GLU 48 10.758 3.266 -21.162 627 HA GLU 48 HA GLU 48 13.308 4.572 -20.775 628 1HB GLU 48 2HB GLU 48 10.903 6.154 -21.611 629 2HB GLU 48 1HB GLU 48 12.553 6.241 -22.214 630 1HG GLU 48 2HG GLU 48 11.785 3.678 -22.921 631 2HG GLU 48 1HG GLU 48 10.306 4.600 -23.134 632 H VAL 49 H VAL 49 10.082 4.838 -19.400 633 HA VAL 49 HA VAL 49 10.493 7.173 -17.819 634 HB VAL 49 HB VAL 49 8.739 4.762 -17.235 635 1HG1 VAL 49 1HG1 VAL 49 9.182 7.329 -15.868 636 2HG1 VAL 49 2HG1 VAL 49 8.407 5.860 -15.283 637 3HG1 VAL 49 3HG1 VAL 49 7.486 7.016 -16.239 638 1HG2 VAL 49 1HG2 VAL 49 7.528 7.235 -18.295 639 2HG2 VAL 49 2HG2 VAL 49 7.245 5.557 -18.756 640 3HG2 VAL 49 3HG2 VAL 49 8.619 6.436 -19.427 641 H ILE 50 H ILE 50 10.700 3.712 -16.846 642 HA ILE 50 HA ILE 50 11.878 4.189 -14.291 643 HB ILE 50 HB ILE 50 12.343 1.808 -16.114 644 1HG1 ILE 50 2HG1 ILE 50 10.356 1.836 -13.875 645 2HG1 ILE 50 1HG1 ILE 50 9.906 2.608 -15.395 646 1HG2 ILE 50 1HG2 ILE 50 12.940 2.436 -13.256 647 2HG2 ILE 50 2HG2 ILE 50 13.856 1.460 -14.405 648 3HG2 ILE 50 3HG2 ILE 50 12.410 0.797 -13.641 649 1HD1 ILE 50 1HD1 ILE 50 10.339 0.561 -16.627 650 2HD1 ILE 50 2HD1 ILE 50 9.259 0.187 -15.283 651 3HD1 ILE 50 3HD1 ILE 50 10.971 -0.222 -15.179 652 H CYS 51 H CYS 51 13.197 4.411 -17.496 653 HA CYS 51 HA CYS 51 15.972 4.200 -16.719 654 1HB CYS 51 2HB CYS 51 14.955 3.837 -19.066 655 2HB CYS 51 1HB CYS 51 14.927 5.597 -19.184 656 HG CYS 51 HG CYS 51 17.666 5.060 -18.388 657 H LYS 52 H LYS 52 13.756 6.895 -17.449 658 HA LYS 52 HA LYS 52 15.605 9.022 -17.086 659 1HB LYS 52 2HB LYS 52 12.668 9.085 -16.343 660 2HB LYS 52 1HB LYS 52 13.685 10.467 -16.734 661 1HG LYS 52 2HG LYS 52 13.610 10.061 -18.988 662 2HG LYS 52 1HG LYS 52 13.531 8.313 -18.781 663 1HD LYS 52 2HD LYS 52 11.335 8.585 -19.343 664 2HD LYS 52 1HD LYS 52 11.156 9.063 -17.655 665 1HE LYS 52 2HE LYS 52 10.152 10.838 -18.842 666 2HE LYS 52 1HE LYS 52 11.768 11.442 -18.478 667 1HZ LYS 52 1HZ LYS 52 10.691 10.456 -21.036 668 2HZ LYS 52 2HZ LYS 52 12.362 10.394 -20.738 669 3HZ LYS 52 3HZ LYS 52 11.547 11.885 -20.716 670 H TYR 53 H TYR 53 13.820 7.095 -14.757 671 HA TYR 53 HA TYR 53 14.811 8.785 -12.530 672 1HB TYR 53 2HB TYR 53 12.804 6.509 -12.584 673 2HB TYR 53 1HB TYR 53 13.236 7.446 -11.167 674 HD1 TYR 53 HD1 TYR 53 12.150 8.110 -14.712 675 HD2 TYR 53 HD2 TYR 53 11.764 9.145 -10.568 676 HE1 TYR 53 HE1 TYR 53 10.402 9.742 -15.300 677 HE2 TYR 53 HE2 TYR 53 10.005 10.792 -11.159 678 HH TYR 53 HH TYR 53 8.319 11.064 -13.100 679 H VAL 54 H VAL 54 15.483 5.804 -14.161 680 HA VAL 54 HA VAL 54 17.550 5.159 -12.154 681 HB VAL 54 HB VAL 54 15.726 2.897 -12.978 682 1HG1 VAL 54 1HG1 VAL 54 18.053 2.770 -11.773 683 2HG1 VAL 54 2HG1 VAL 54 16.726 1.765 -11.193 684 3HG1 VAL 54 3HG1 VAL 54 17.136 3.256 -10.346 685 1HG2 VAL 54 1HG2 VAL 54 14.406 3.193 -10.928 686 2HG2 VAL 54 2HG2 VAL 54 14.257 4.630 -11.939 687 3HG2 VAL 54 3HG2 VAL 54 15.315 4.650 -10.528 688 H GLN 55 H GLN 55 17.546 2.338 -13.687 689 HA GLN 55 HA GLN 55 18.074 2.972 -16.427 690 1HB GLN 55 2HB GLN 55 20.202 3.532 -14.543 691 2HB GLN 55 1HB GLN 55 20.701 2.279 -15.677 692 1HG GLN 55 2HG GLN 55 20.429 3.669 -17.538 693 2HG GLN 55 1HG GLN 55 19.320 4.749 -16.692 694 1HE2 GLN 55 1HE2 GLN 55 22.666 4.167 -17.441 695 2HE2 GLN 55 2HE2 GLN 55 23.307 5.456 -16.541 696 H ILE 56 H ILE 56 17.301 1.086 -17.155 697 HA ILE 56 HA ILE 56 18.639 -1.428 -16.295 698 HB ILE 56 HB ILE 56 16.284 -2.508 -16.480 699 1HG1 ILE 56 2HG1 ILE 56 15.164 0.013 -15.401 700 2HG1 ILE 56 1HG1 ILE 56 15.520 0.047 -17.128 701 1HG2 ILE 56 1HG2 ILE 56 16.399 -0.818 -14.043 702 2HG2 ILE 56 2HG2 ILE 56 17.823 -1.800 -14.385 703 3HG2 ILE 56 3HG2 ILE 56 16.246 -2.567 -14.198 704 1HD1 ILE 56 1HD1 ILE 56 14.172 -1.948 -17.495 705 2HD1 ILE 56 2HD1 ILE 56 13.202 -0.761 -16.622 706 3HD1 ILE 56 3HD1 ILE 56 13.908 -2.128 -15.760 707 H ASP 57 H ASP 57 18.052 -3.227 -17.891 708 HA ASP 57 HA ASP 57 18.005 -2.061 -20.628 709 1HB ASP 57 2HB ASP 57 19.072 -4.602 -19.437 710 2HB ASP 57 1HB ASP 57 18.660 -4.566 -21.151 711 HA PRO 58 HA PRO 58 14.013 -3.791 -21.452 712 1HB PRO 58 2HB PRO 58 14.239 -4.583 -24.061 713 2HB PRO 58 1HB PRO 58 14.117 -2.888 -23.566 714 1HG PRO 58 2HG PRO 58 16.492 -4.425 -24.473 715 2HG PRO 58 1HG PRO 58 16.111 -2.708 -24.676 716 1HD PRO 58 2HD PRO 58 17.900 -3.741 -22.799 717 2HD PRO 58 1HD PRO 58 17.148 -2.133 -22.718 718 H GLU 59 H GLU 59 16.812 -5.787 -22.174 719 HA GLU 59 HA GLU 59 15.376 -8.289 -22.402 720 1HB GLU 59 2HB GLU 59 18.263 -7.749 -21.633 721 2HB GLU 59 1HB GLU 59 17.603 -9.320 -22.086 722 1HG GLU 59 2HG GLU 59 17.203 -7.012 -23.953 723 2HG GLU 59 1HG GLU 59 18.789 -7.783 -23.895 724 H MET 60 H MET 60 16.033 -6.213 -19.750 725 HA MET 60 HA MET 60 16.065 -8.373 -17.745 726 1HB MET 60 2HB MET 60 16.297 -5.366 -17.667 727 2HB MET 60 1HB MET 60 15.994 -6.278 -16.194 728 1HG MET 60 2HG MET 60 18.157 -7.392 -17.863 729 2HG MET 60 1HG MET 60 18.491 -5.777 -17.244 730 1HE MET 60 1HE MET 60 18.207 -5.949 -13.544 731 2HE MET 60 2HE MET 60 17.802 -5.071 -15.017 732 3HE MET 60 3HE MET 60 19.484 -5.461 -14.667 733 H VAL 61 H VAL 61 13.799 -6.236 -19.304 734 HA VAL 61 HA VAL 61 11.749 -6.730 -17.222 735 HB VAL 61 HB VAL 61 11.621 -5.020 -19.725 736 1HG1 VAL 61 1HG1 VAL 61 9.884 -4.614 -17.327 737 2HG1 VAL 61 2HG1 VAL 61 9.488 -5.948 -18.410 738 3HG1 VAL 61 3HG1 VAL 61 9.540 -4.297 -19.027 739 1HG2 VAL 61 1HG2 VAL 61 12.663 -4.561 -16.978 740 2HG2 VAL 61 2HG2 VAL 61 11.659 -3.276 -17.651 741 3HG2 VAL 61 3HG2 VAL 61 13.117 -3.791 -18.498 742 H THR 62 H THR 62 10.038 -8.117 -17.572 743 HA THR 62 HA THR 62 9.999 -9.578 -20.148 744 HB THR 62 HB THR 62 8.488 -10.427 -17.683 745 HG1 THR 62 HG1 THR 62 10.290 -11.326 -16.881 746 1HG2 THR 62 1HG2 THR 62 8.006 -11.660 -19.699 747 2HG2 THR 62 2HG2 THR 62 9.023 -12.680 -18.681 748 3HG2 THR 62 3HG2 THR 62 9.723 -11.837 -20.062 749 H VAL 63 H VAL 63 7.855 -10.075 -21.077 750 HA VAL 63 HA VAL 63 5.637 -8.325 -20.156 751 HB VAL 63 HB VAL 63 6.574 -8.437 -23.035 752 1HG1 VAL 63 1HG1 VAL 63 4.994 -6.464 -23.205 753 2HG1 VAL 63 2HG1 VAL 63 4.449 -6.845 -21.572 754 3HG1 VAL 63 3HG1 VAL 63 4.202 -8.005 -22.877 755 1HG2 VAL 63 1HG2 VAL 63 6.959 -6.337 -20.887 756 2HG2 VAL 63 2HG2 VAL 63 7.218 -6.036 -22.605 757 3HG2 VAL 63 3HG2 VAL 63 8.218 -7.213 -21.756 758 H GLN 64 H GLN 64 3.935 -9.686 -19.924 759 HA GLN 64 HA GLN 64 3.553 -11.811 -21.982 760 1HB GLN 64 2HB GLN 64 2.734 -13.303 -20.132 761 2HB GLN 64 1HB GLN 64 4.450 -12.915 -20.013 762 1HG GLN 64 2HG GLN 64 2.698 -10.982 -18.638 763 2HG GLN 64 1HG GLN 64 2.623 -12.608 -17.967 764 1HE2 GLN 64 1HE2 GLN 64 4.336 -13.241 -16.622 765 2HE2 GLN 64 2HE2 GLN 64 5.788 -12.380 -16.449 766 H LEU 65 H LEU 65 1.396 -12.090 -22.629 767 HA LEU 65 HA LEU 65 -0.567 -10.234 -21.381 768 1HB LEU 65 2HB LEU 65 -1.727 -10.385 -23.599 769 2HB LEU 65 1HB LEU 65 -0.148 -9.617 -23.672 770 HG LEU 65 HG LEU 65 -0.119 -12.555 -24.029 771 1HD1 LEU 65 1HD1 LEU 65 -1.653 -10.715 -25.844 772 2HD1 LEU 65 2HD1 LEU 65 -2.038 -12.363 -25.346 773 3HD1 LEU 65 3HD1 LEU 65 -0.767 -12.076 -26.535 774 1HD2 LEU 65 1HD2 LEU 65 1.198 -10.104 -25.150 775 2HD2 LEU 65 2HD2 LEU 65 1.245 -11.592 -26.093 776 3HD2 LEU 65 3HD2 LEU 65 1.934 -11.556 -24.471 777 H GLU 66 H GLU 66 -2.729 -10.991 -21.110 778 HA GLU 66 HA GLU 66 -3.201 -13.895 -21.477 779 1HB GLU 66 2HB GLU 66 -3.421 -12.407 -18.851 780 2HB GLU 66 1HB GLU 66 -4.161 -13.977 -19.129 781 1HG GLU 66 2HG GLU 66 -1.210 -13.362 -19.431 782 2HG GLU 66 1HG GLU 66 -1.935 -14.144 -18.028 783 H GLN 67 H GLN 67 -5.619 -14.332 -20.803 784 HA GLN 67 HA GLN 67 -7.345 -11.983 -21.375 785 1HB GLN 67 2HB GLN 67 -6.993 -14.397 -23.115 786 2HB GLN 67 1HB GLN 67 -8.606 -13.698 -22.971 787 1HG GLN 67 2HG GLN 67 -8.015 -11.758 -24.052 788 2HG GLN 67 1HG GLN 67 -6.358 -11.804 -23.452 789 1HE2 GLN 67 1HE2 GLN 67 -4.903 -12.170 -25.123 790 2HE2 GLN 67 2HE2 GLN 67 -5.192 -13.158 -26.474 791 H LYS 68 H LYS 68 -9.624 -12.426 -20.839 792 HA LYS 68 HA LYS 68 -9.903 -14.703 -18.922 793 1HB LYS 68 2HB LYS 68 -11.155 -11.949 -18.830 794 2HB LYS 68 1HB LYS 68 -11.564 -13.263 -17.730 795 1HG LYS 68 2HG LYS 68 -9.715 -12.915 -16.478 796 2HG LYS 68 1HG LYS 68 -8.673 -12.872 -17.900 797 1HD LYS 68 2HD LYS 68 -8.561 -10.716 -16.779 798 2HD LYS 68 1HD LYS 68 -9.414 -10.516 -18.310 799 1HE LYS 68 2HE LYS 68 -10.793 -9.364 -16.795 800 2HE LYS 68 1HE LYS 68 -11.562 -10.947 -16.899 801 1HZ LYS 68 1HZ LYS 68 -10.741 -11.579 -14.854 802 2HZ LYS 68 2HZ LYS 68 -11.096 -9.938 -14.596 803 3HZ LYS 68 3HZ LYS 68 -9.493 -10.430 -14.867 804 H ASP 69 H ASP 69 -12.250 -15.401 -18.668 805 HA ASP 69 HA ASP 69 -13.361 -15.938 -21.283 806 1HB ASP 69 2HB ASP 69 -14.477 -16.516 -18.527 807 2HB ASP 69 1HB ASP 69 -15.076 -17.198 -20.039 808 H GLY 70 H GLY 70 -13.650 -13.225 -19.310 809 1HA GLY 70 2HA GLY 70 -16.475 -12.715 -20.068 810 2HA GLY 70 1HA GLY 70 -15.535 -11.764 -18.920 811 H ASP 71 H ASP 71 -14.319 -12.732 -22.073 812 HA ASP 71 HA ASP 71 -13.611 -11.456 -23.906 813 1HB ASP 71 2HB ASP 71 -16.062 -9.957 -22.989 814 2HB ASP 71 1HB ASP 71 -15.087 -9.355 -24.328 815 H ILE 72 H ILE 72 -12.120 -11.134 -21.633 816 HA ILE 72 HA ILE 72 -11.462 -8.219 -21.690 817 HB ILE 72 HB ILE 72 -11.077 -10.052 -19.315 818 1HG1 ILE 72 2HG1 ILE 72 -13.383 -8.219 -20.046 819 2HG1 ILE 72 1HG1 ILE 72 -13.457 -9.937 -19.692 820 1HG2 ILE 72 1HG2 ILE 72 -9.616 -8.113 -19.350 821 2HG2 ILE 72 2HG2 ILE 72 -10.873 -7.842 -18.144 822 3HG2 ILE 72 3HG2 ILE 72 -10.975 -7.051 -19.715 823 1HD1 ILE 72 1HD1 ILE 72 -14.255 -8.519 -17.791 824 2HD1 ILE 72 2HD1 ILE 72 -12.638 -7.827 -17.672 825 3HD1 ILE 72 3HD1 ILE 72 -12.888 -9.544 -17.359 826 H SER 73 H SER 73 -9.156 -7.769 -21.263 827 HA SER 73 HA SER 73 -7.371 -10.073 -21.968 828 1HB SER 73 2HB SER 73 -6.973 -7.214 -22.886 829 2HB SER 73 1HB SER 73 -6.088 -8.642 -23.411 830 HG SER 73 HG SER 73 -8.851 -8.106 -23.808 831 H ILE 74 H ILE 74 -5.080 -9.626 -21.342 832 HA ILE 74 HA ILE 74 -4.776 -7.750 -19.060 833 HB ILE 74 HB ILE 74 -4.151 -10.709 -18.970 834 1HG1 ILE 74 2HG1 ILE 74 -6.207 -9.105 -17.431 835 2HG1 ILE 74 1HG1 ILE 74 -6.569 -10.184 -18.774 836 1HG2 ILE 74 1HG2 ILE 74 -2.498 -9.551 -17.678 837 2HG2 ILE 74 2HG2 ILE 74 -3.674 -10.193 -16.532 838 3HG2 ILE 74 3HG2 ILE 74 -3.713 -8.485 -16.971 839 1HD1 ILE 74 1HD1 ILE 74 -5.092 -11.837 -17.185 840 2HD1 ILE 74 2HD1 ILE 74 -6.852 -11.739 -17.132 841 3HD1 ILE 74 3HD1 ILE 74 -5.884 -10.832 -15.971 842 H LEU 75 H LEU 75 -2.421 -7.557 -18.469 843 HA LEU 75 HA LEU 75 -0.473 -8.604 -20.353 844 1HB LEU 75 2HB LEU 75 -1.418 -6.631 -21.560 845 2HB LEU 75 1HB LEU 75 -0.905 -5.612 -20.218 846 HG LEU 75 HG LEU 75 1.262 -7.339 -21.166 847 1HD1 LEU 75 1HD1 LEU 75 -0.340 -5.819 -23.141 848 2HD1 LEU 75 2HD1 LEU 75 0.743 -7.189 -23.382 849 3HD1 LEU 75 3HD1 LEU 75 1.403 -5.562 -23.223 850 1HD2 LEU 75 1HD2 LEU 75 1.415 -5.296 -19.682 851 2HD2 LEU 75 2HD2 LEU 75 1.022 -4.316 -21.095 852 3HD2 LEU 75 3HD2 LEU 75 2.507 -5.268 -21.066 853 H GLU 76 H GLU 76 0.675 -9.424 -18.644 854 HA GLU 76 HA GLU 76 1.440 -7.619 -16.417 855 1HB GLU 76 2HB GLU 76 2.122 -10.551 -16.776 856 2HB GLU 76 1HB GLU 76 2.196 -9.612 -15.287 857 1HG GLU 76 2HG GLU 76 -0.263 -9.310 -15.367 858 2HG GLU 76 1HG GLU 76 -0.324 -10.276 -16.840 859 H LEU 77 H LEU 77 3.484 -6.748 -16.304 860 HA LEU 77 HA LEU 77 5.538 -7.871 -18.160 861 1HB LEU 77 2HB LEU 77 6.470 -5.520 -18.290 862 2HB LEU 77 1HB LEU 77 4.913 -5.740 -19.083 863 HG LEU 77 HG LEU 77 4.933 -4.892 -16.215 864 1HD1 LEU 77 1HD1 LEU 77 6.609 -3.493 -17.599 865 2HD1 LEU 77 2HD1 LEU 77 5.361 -2.622 -16.710 866 3HD1 LEU 77 3HD1 LEU 77 5.189 -2.880 -18.445 867 1HD2 LEU 77 1HD2 LEU 77 2.738 -4.997 -16.859 868 2HD2 LEU 77 2HD2 LEU 77 3.134 -4.859 -18.570 869 3HD2 LEU 77 3HD2 LEU 77 3.067 -3.415 -17.562 870 H ASN 78 H ASN 78 7.331 -8.555 -17.123 871 HA ASN 78 HA ASN 78 7.591 -8.028 -14.239 872 1HB ASN 78 2HB ASN 78 9.405 -9.657 -16.028 873 2HB ASN 78 1HB ASN 78 9.255 -9.756 -14.285 874 1HD2 ASN 78 1HD2 ASN 78 6.250 -9.594 -14.365 875 2HD2 ASN 78 2HD2 ASN 78 5.731 -11.103 -14.932 876 H VAL 79 H VAL 79 9.284 -6.835 -13.347 877 HA VAL 79 HA VAL 79 11.169 -5.564 -15.288 878 HB VAL 79 HB VAL 79 10.015 -4.214 -12.834 879 1HG1 VAL 79 1HG1 VAL 79 12.296 -3.571 -13.908 880 2HG1 VAL 79 2HG1 VAL 79 11.127 -2.286 -13.601 881 3HG1 VAL 79 3HG1 VAL 79 11.318 -2.934 -15.230 882 1HG2 VAL 79 1HG2 VAL 79 9.015 -2.878 -15.027 883 2HG2 VAL 79 2HG2 VAL 79 8.117 -4.073 -14.096 884 3HG2 VAL 79 3HG2 VAL 79 8.950 -4.554 -15.571 885 H THR 80 H THR 80 12.818 -7.053 -14.755 886 HA THR 80 HA THR 80 13.625 -7.472 -11.974 887 HB THR 80 HB THR 80 15.046 -8.197 -14.556 888 HG1 THR 80 HG1 THR 80 13.354 -9.715 -12.862 889 1HG2 THR 80 1HG2 THR 80 16.644 -9.210 -13.308 890 2HG2 THR 80 2HG2 THR 80 15.465 -9.839 -12.156 891 3HG2 THR 80 3HG2 THR 80 16.067 -8.190 -11.989 892 H LEU 81 H LEU 81 14.289 -5.492 -11.102 893 HA LEU 81 HA LEU 81 16.163 -3.775 -12.557 894 1HB LEU 81 2HB LEU 81 15.061 -3.681 -9.730 895 2HB LEU 81 1HB LEU 81 16.097 -2.446 -10.435 896 HG LEU 81 HG LEU 81 13.668 -3.240 -11.971 897 1HD1 LEU 81 1HD1 LEU 81 13.419 -1.167 -9.809 898 2HD1 LEU 81 2HD1 LEU 81 13.151 -2.867 -9.419 899 3HD1 LEU 81 3HD1 LEU 81 12.150 -2.073 -10.634 900 1HD2 LEU 81 1HD2 LEU 81 15.499 -0.915 -11.655 901 2HD2 LEU 81 2HD2 LEU 81 13.812 -0.537 -12.008 902 3HD2 LEU 81 3HD2 LEU 81 14.737 -1.556 -13.110 903 HA PRO 82 HA PRO 82 19.703 -5.891 -10.794 904 1HB PRO 82 2HB PRO 82 21.621 -4.133 -11.623 905 2HB PRO 82 1HB PRO 82 20.821 -5.284 -12.703 906 1HG PRO 82 2HG PRO 82 20.511 -2.363 -12.523 907 2HG PRO 82 1HG PRO 82 20.165 -3.454 -13.871 908 1HD PRO 82 2HD PRO 82 18.283 -2.295 -12.063 909 2HD PRO 82 1HD PRO 82 17.964 -3.493 -13.336 910 H GLU 83 H GLU 83 21.931 -4.846 -9.673 911 HA GLU 83 HA GLU 83 21.158 -4.055 -7.073 912 1HB GLU 83 2HB GLU 83 23.708 -4.133 -8.600 913 2HB GLU 83 1HB GLU 83 23.687 -3.131 -7.150 914 1HG GLU 83 2HG GLU 83 23.231 -4.944 -5.742 915 2HG GLU 83 1HG GLU 83 22.583 -5.926 -7.056 916 H ALA 84 H ALA 84 21.538 -1.984 -5.979 917 HA ALA 84 HA ALA 84 22.098 0.450 -7.339 918 1HB ALA 84 1HB ALA 84 19.688 -0.420 -8.180 919 2HB ALA 84 2HB ALA 84 20.056 1.294 -7.980 920 3HB ALA 84 3HB ALA 84 19.186 0.425 -6.715 921 H GLU 85 H GLU 85 21.345 2.378 -5.921 922 HA GLU 85 HA GLU 85 20.474 1.923 -3.232 923 1HB GLU 85 2HB GLU 85 23.364 1.674 -3.798 924 2HB GLU 85 1HB GLU 85 22.970 2.764 -2.469 925 1HG GLU 85 2HG GLU 85 21.322 0.699 -1.872 926 2HG GLU 85 1HG GLU 85 22.628 -0.179 -2.667 927 H GLU 86 H GLU 86 22.913 4.005 -4.831 928 HA GLU 86 HA GLU 86 21.213 6.283 -5.036 929 1HB GLU 86 2HB GLU 86 21.694 5.926 -2.440 930 2HB GLU 86 1HB GLU 86 23.202 6.744 -2.849 931 1HG GLU 86 2HG GLU 86 20.709 7.950 -3.934 932 2HG GLU 86 1HG GLU 86 20.955 8.086 -2.192 933 H LEU 87 H LEU 87 23.168 4.945 -6.623 934 HA LEU 87 HA LEU 87 25.479 6.816 -6.671 935 1HB LEU 87 2HB LEU 87 24.943 4.078 -7.743 936 2HB LEU 87 1HB LEU 87 26.083 5.097 -8.623 937 HG LEU 87 HG LEU 87 27.102 5.541 -6.245 938 1HD1 LEU 87 1HD1 LEU 87 26.090 2.761 -5.731 939 2HD1 LEU 87 2HD1 LEU 87 25.075 4.139 -5.306 940 3HD1 LEU 87 3HD1 LEU 87 26.673 3.964 -4.581 941 1HD2 LEU 87 1HD2 LEU 87 27.390 2.953 -7.799 942 2HD2 LEU 87 2HD2 LEU 87 28.498 3.448 -6.520 943 3HD2 LEU 87 3HD2 LEU 87 28.351 4.421 -7.984 944 H LYS 88 HN LYS 88 26.028 7.913 -8.659 945 HA LYS 88 HA LYS 88 23.737 8.178 -10.567 946 1HB LYS 88 2HB LYS 88 24.459 10.143 -8.878 947 2HB LYS 88 1HB LYS 88 25.602 10.470 -10.182 948 1HG LYS 88 2HG LYS 88 23.454 10.169 -11.703 949 2HG LYS 88 1HG LYS 88 22.609 10.589 -10.212 950 1HD LYS 88 2HD LYS 88 24.941 12.255 -11.114 951 2HD LYS 88 1HD LYS 88 23.356 12.502 -11.849 952 1HE LYS 88 2HE LYS 88 22.376 12.818 -9.592 953 2HE LYS 88 1HE LYS 88 23.979 12.625 -8.882 954 1HZ LYS 88 1HZ LYS 88 23.209 14.716 -10.845 955 2HZ LYS 88 2HZ LYS 88 24.737 14.538 -10.124 956 3HZ LYS 88 3HZ LYS 88 23.391 14.957 -9.176 Start of MODEL 4 1 1H ARG 31 1H ARG 31 3.890 -0.278 2.744 2 2H ARG 31 2H ARG 31 3.230 1.269 2.979 3 3H ARG 31 3H ARG 31 4.869 0.980 3.320 4 HA ARG 31 HA ARG 31 3.784 0.579 0.604 5 1HB ARG 31 2HB ARG 31 3.342 2.935 1.574 6 2HB ARG 31 1HB ARG 31 5.093 3.134 1.540 7 1HG ARG 31 2HG ARG 31 4.976 3.660 -0.645 8 2HG ARG 31 1HG ARG 31 4.349 2.048 -0.985 9 1HD ARG 31 2HD ARG 31 2.656 4.418 -0.137 10 2HD ARG 31 1HD ARG 31 2.824 3.842 -1.795 11 HE ARG 31 HE ARG 31 2.015 1.635 -0.220 12 1HH1 ARG 31 1HH2 ARG 31 0.773 4.738 -1.249 13 2HH1 ARG 31 2HH2 ARG 31 -0.872 4.210 -1.193 14 1HH2 ARG 31 1HH1 ARG 31 -0.129 0.995 -0.161 15 2HH2 ARG 31 2HH1 ARG 31 -1.380 2.115 -0.585 16 H SER 32 H SER 32 5.399 -1.178 0.697 17 HA SER 32 HA SER 32 8.145 -0.787 1.306 18 1HB SER 32 2HB SER 32 7.217 -2.661 -0.856 19 2HB SER 32 1HB SER 32 8.528 -2.876 0.299 20 HG SER 32 HG SER 32 6.941 -3.000 1.942 21 H ASP 33 H ASP 33 6.285 0.286 -1.418 22 HA ASP 33 HA ASP 33 8.623 0.581 -3.149 23 1HB ASP 33 2HB ASP 33 5.827 1.653 -3.570 24 2HB ASP 33 1HB ASP 33 7.084 1.459 -4.791 25 H ALA 34 H ALA 34 7.988 2.195 -0.472 26 HA ALA 34 HA ALA 34 8.128 4.926 -1.531 27 1HB ALA 34 1HB ALA 34 7.988 3.795 1.268 28 2HB ALA 34 2HB ALA 34 6.724 4.665 0.397 29 3HB ALA 34 3HB ALA 34 8.171 5.517 0.937 30 H GLU 35 H GLU 35 10.283 2.428 -0.597 31 HA GLU 35 HA GLU 35 12.422 3.928 0.520 32 1HB GLU 35 2HB GLU 35 12.717 1.439 -1.180 33 2HB GLU 35 1HB GLU 35 13.814 2.021 0.064 34 1HG GLU 35 2HG GLU 35 11.082 1.689 1.073 35 2HG GLU 35 1HG GLU 35 11.746 0.188 0.434 36 HA PRO 36 HA PRO 36 14.106 4.547 -3.914 37 1HB PRO 36 2HB PRO 36 12.565 3.818 -6.045 38 2HB PRO 36 1HB PRO 36 13.670 2.710 -5.219 39 1HG PRO 36 2HG PRO 36 10.739 2.761 -5.214 40 2HG PRO 36 1HG PRO 36 11.842 1.445 -4.797 41 1HD PRO 36 2HD PRO 36 10.415 3.186 -3.009 42 2HD PRO 36 1HD PRO 36 11.511 1.864 -2.593 43 H HIS 37 H HIS 37 10.550 4.929 -3.973 44 HA HIS 37 HA HIS 37 9.235 6.841 -4.220 45 1HB HIS 37 2HB HIS 37 11.375 7.906 -3.029 46 2HB HIS 37 1HB HIS 37 11.574 8.656 -4.614 47 HD1 HIS 37 HD1 HIS 37 9.908 10.468 -5.290 48 HD2 HIS 37 HD2 HIS 37 8.913 8.627 -1.685 49 HE1 HIS 37 HE1 HIS 37 8.037 11.842 -4.276 50 H TYR 38 H TYR 38 11.177 5.520 -6.523 51 HA TYR 38 HA TYR 38 10.060 7.312 -8.632 52 1HB TYR 38 2HB TYR 38 12.030 6.511 -10.045 53 2HB TYR 38 1HB TYR 38 12.431 7.614 -8.732 54 HD1 TYR 38 HD1 TYR 38 13.747 6.903 -6.848 55 HD2 TYR 38 HD2 TYR 38 12.483 4.070 -9.819 56 HE1 TYR 38 HE1 TYR 38 15.306 5.219 -5.905 57 HE2 TYR 38 HE2 TYR 38 14.042 2.387 -8.876 58 HH TYR 38 HH TYR 38 15.119 2.026 -6.469 59 H LEU 39 H LEU 39 10.851 4.015 -7.640 60 HA LEU 39 HA LEU 39 10.090 2.537 -9.884 61 1HB LEU 39 2HB LEU 39 10.615 2.033 -7.152 62 2HB LEU 39 1HB LEU 39 9.051 1.295 -7.478 63 HG LEU 39 HG LEU 39 10.832 -0.322 -7.934 64 1HD1 LEU 39 1HD1 LEU 39 10.205 -0.978 -10.151 65 2HD1 LEU 39 2HD1 LEU 39 9.831 0.683 -10.609 66 3HD1 LEU 39 3HD1 LEU 39 8.795 -0.169 -9.465 67 1HD2 LEU 39 1HD2 LEU 39 11.984 2.018 -9.370 68 2HD2 LEU 39 2HD2 LEU 39 12.245 0.436 -10.104 69 3HD2 LEU 39 3HD2 LEU 39 12.795 0.746 -8.457 70 HA PRO 40 HA PRO 40 5.483 2.674 -8.461 71 1HB PRO 40 2HB PRO 40 4.787 4.484 -6.530 72 2HB PRO 40 1HB PRO 40 5.255 2.810 -6.191 73 1HG PRO 40 2HG PRO 40 6.803 5.312 -5.821 74 2HG PRO 40 1HG PRO 40 6.856 3.800 -4.909 75 1HD PRO 40 2HD PRO 40 8.721 4.593 -6.819 76 2HD PRO 40 1HD PRO 40 8.500 2.929 -6.238 77 H GLN 41 H GLN 41 7.442 5.485 -8.879 78 HA GLN 41 HA GLN 41 5.309 7.264 -9.772 79 1HB GLN 41 2HB GLN 41 7.402 8.182 -8.856 80 2HB GLN 41 1HB GLN 41 8.328 7.375 -10.118 81 1HG GLN 41 2HG GLN 41 8.045 9.686 -10.770 82 2HG GLN 41 1HG GLN 41 7.024 8.700 -11.818 83 1HE2 GLN 41 1HE2 GLN 41 5.344 10.243 -12.201 84 2HE2 GLN 41 2HE2 GLN 41 4.359 10.863 -10.966 85 H LEU 42 H LEU 42 7.575 4.978 -11.204 86 HA LEU 42 HA LEU 42 6.990 5.711 -13.930 87 1HB LEU 42 2HB LEU 42 8.261 3.216 -12.780 88 2HB LEU 42 1HB LEU 42 8.201 3.611 -14.479 89 HG LEU 42 HG LEU 42 10.094 4.809 -14.308 90 1HD1 LEU 42 1HD1 LEU 42 10.314 6.839 -13.078 91 2HD1 LEU 42 2HD1 LEU 42 9.091 6.354 -11.910 92 3HD1 LEU 42 3HD1 LEU 42 8.623 6.752 -13.563 93 1HD2 LEU 42 1HD2 LEU 42 9.868 3.772 -11.509 94 2HD2 LEU 42 2HD2 LEU 42 11.180 4.878 -11.914 95 3HD2 LEU 42 3HD2 LEU 42 11.024 3.344 -12.770 96 H ARG 43 H ARG 43 5.932 3.087 -11.743 97 HA ARG 43 HA ARG 43 4.352 1.692 -13.657 98 1HB ARG 43 2HB ARG 43 3.245 0.652 -11.765 99 2HB ARG 43 1HB ARG 43 4.950 0.809 -11.396 100 1HG ARG 43 2HG ARG 43 4.458 2.876 -10.117 101 2HG ARG 43 1HG ARG 43 2.740 2.632 -10.421 102 1HD ARG 43 2HD ARG 43 2.817 0.472 -9.261 103 2HD ARG 43 1HD ARG 43 4.547 0.668 -8.984 104 HE ARG 43 HE ARG 43 3.300 2.953 -7.904 105 1HH1 ARG 43 1HH2 ARG 43 3.310 -0.504 -7.375 106 2HH1 ARG 43 2HH2 ARG 43 2.945 -0.348 -5.693 107 1HH2 ARG 43 2HH1 ARG 43 2.831 3.107 -5.724 108 2HH2 ARG 43 1HH1 ARG 43 2.677 1.673 -4.765 109 H LYS 44 H LYS 44 3.520 4.373 -11.445 110 HA LYS 44 HA LYS 44 0.785 4.496 -12.237 111 1HB LYS 44 2HB LYS 44 0.790 6.727 -11.211 112 2HB LYS 44 1HB LYS 44 1.639 5.585 -10.179 113 1HG LYS 44 2HG LYS 44 3.776 6.414 -10.887 114 2HG LYS 44 1HG LYS 44 3.052 7.373 -12.173 115 1HD LYS 44 2HD LYS 44 3.506 8.908 -10.404 116 2HD LYS 44 1HD LYS 44 1.769 8.610 -10.349 117 1HE LYS 44 2HE LYS 44 2.567 6.637 -8.714 118 2HE LYS 44 1HE LYS 44 3.900 7.760 -8.445 119 1HZ LYS 44 1HZ LYS 44 1.010 8.387 -8.172 120 2HZ LYS 44 2HZ LYS 44 2.281 9.492 -7.949 121 3HZ LYS 44 3HZ LYS 44 2.106 8.170 -6.896 122 H ASP 45 H ASP 45 3.771 5.758 -13.585 123 HA ASP 45 HA ASP 45 2.586 7.620 -15.406 124 1HB ASP 45 2HB ASP 45 5.224 6.143 -15.399 125 2HB ASP 45 1HB ASP 45 4.783 7.284 -16.661 126 H ILE 46 H ILE 46 3.592 4.185 -15.759 127 HA ILE 46 HA ILE 46 2.824 3.941 -18.497 128 HB ILE 46 HB ILE 46 4.188 2.258 -17.189 129 1HG1 ILE 46 2HG1 ILE 46 1.785 1.140 -18.658 130 2HG1 ILE 46 1HG1 ILE 46 3.193 1.851 -19.445 131 1HG2 ILE 46 1HG2 ILE 46 1.572 1.856 -15.842 132 2HG2 ILE 46 2HG2 ILE 46 3.203 1.597 -15.249 133 3HG2 ILE 46 3HG2 ILE 46 2.446 0.398 -16.287 134 1HD1 ILE 46 1HD1 ILE 46 3.756 -0.256 -17.430 135 2HD1 ILE 46 2HD1 ILE 46 4.527 0.051 -18.985 136 3HD1 ILE 46 3HD1 ILE 46 2.982 -0.795 -18.920 137 H LEU 47 H LEU 47 0.936 3.932 -15.542 138 HA LEU 47 HA LEU 47 -1.490 2.874 -16.660 139 1HB LEU 47 2HB LEU 47 -0.832 4.573 -14.257 140 2HB LEU 47 1HB LEU 47 -2.507 4.268 -14.706 141 HG LEU 47 HG LEU 47 -0.483 2.052 -14.332 142 1HD1 LEU 47 1HD1 LEU 47 -2.596 2.736 -12.310 143 2HD1 LEU 47 2HD1 LEU 47 -1.053 3.590 -12.276 144 3HD1 LEU 47 3HD1 LEU 47 -1.095 1.836 -12.090 145 1HD2 LEU 47 1HD2 LEU 47 -3.441 2.261 -14.796 146 2HD2 LEU 47 2HD2 LEU 47 -2.816 0.899 -13.868 147 3HD2 LEU 47 3HD2 LEU 47 -2.274 1.159 -15.526 148 H GLU 48 H GLU 48 -0.186 6.141 -16.215 149 HA GLU 48 HA GLU 48 -2.426 7.479 -17.458 150 1HB GLU 48 2HB GLU 48 0.298 8.721 -17.548 151 2HB GLU 48 1HB GLU 48 -1.255 9.470 -17.191 152 1HG GLU 48 2HG GLU 48 -0.960 7.701 -15.091 153 2HG GLU 48 1HG GLU 48 0.689 8.224 -15.380 154 H VAL 49 H VAL 49 0.666 6.183 -18.521 155 HA VAL 49 HA VAL 49 0.649 7.206 -21.184 156 HB VAL 49 HB VAL 49 1.778 4.561 -20.205 157 1HG1 VAL 49 1HG1 VAL 49 1.536 5.012 -22.724 158 2HG1 VAL 49 2HG1 VAL 49 3.149 4.596 -22.144 159 3HG1 VAL 49 3HG1 VAL 49 2.746 6.275 -22.497 160 1HG2 VAL 49 1HG2 VAL 49 2.441 7.127 -19.335 161 2HG2 VAL 49 2HG2 VAL 49 3.635 6.800 -20.590 162 3HG2 VAL 49 3HG2 VAL 49 3.473 5.702 -19.221 163 H ILE 50 H ILE 50 -0.388 3.974 -19.978 164 HA ILE 50 HA ILE 50 -1.613 3.102 -22.397 165 HB ILE 50 HB ILE 50 -2.500 2.483 -19.558 166 1HG1 ILE 50 2HG1 ILE 50 -0.727 0.751 -21.264 167 2HG1 ILE 50 1HG1 ILE 50 -0.026 2.053 -20.304 168 1HG2 ILE 50 1HG2 ILE 50 -4.119 1.867 -21.358 169 2HG2 ILE 50 2HG2 ILE 50 -3.452 0.459 -20.534 170 3HG2 ILE 50 3HG2 ILE 50 -2.851 0.914 -22.128 171 1HD1 ILE 50 1HD1 ILE 50 0.056 0.171 -18.871 172 2HD1 ILE 50 2HD1 ILE 50 -1.556 -0.364 -19.345 173 3HD1 ILE 50 3HD1 ILE 50 -1.364 1.065 -18.330 174 H CYS 51 H CYS 51 -2.623 5.451 -20.031 175 HA CYS 51 HA CYS 51 -5.406 5.516 -20.789 176 1HB CYS 51 2HB CYS 51 -4.289 6.371 -18.599 177 2HB CYS 51 1HB CYS 51 -3.905 7.812 -19.540 178 HG CYS 51 HG CYS 51 -6.846 7.110 -19.802 179 H LYS 52 H LYS 52 -2.562 7.525 -21.556 180 HA LYS 52 HA LYS 52 -3.843 9.409 -23.242 181 1HB LYS 52 2HB LYS 52 -1.050 8.289 -23.599 182 2HB LYS 52 1HB LYS 52 -1.649 9.818 -24.233 183 1HG LYS 52 2HG LYS 52 -1.620 10.847 -22.162 184 2HG LYS 52 1HG LYS 52 -1.844 9.332 -21.286 185 1HD LYS 52 2HD LYS 52 0.395 9.542 -20.871 186 2HD LYS 52 1HD LYS 52 0.555 8.851 -22.485 187 1HE LYS 52 2HE LYS 52 1.918 10.806 -22.497 188 2HE LYS 52 1HE LYS 52 0.449 11.252 -23.365 189 1HZ LYS 52 1HZ LYS 52 1.312 12.016 -20.660 190 2HZ LYS 52 2HZ LYS 52 -0.346 11.966 -21.024 191 3HZ LYS 52 3HZ LYS 52 0.689 12.987 -21.902 192 H TYR 53 H TYR 53 -2.774 6.126 -23.895 193 HA TYR 53 HA TYR 53 -3.507 6.416 -26.756 194 1HB TYR 53 2HB TYR 53 -2.079 4.193 -25.262 195 2HB TYR 53 1HB TYR 53 -2.386 4.218 -26.988 196 HD1 TYR 53 HD1 TYR 53 -0.906 6.481 -24.372 197 HD2 TYR 53 HD2 TYR 53 -0.641 4.927 -28.359 198 HE1 TYR 53 HE1 TYR 53 1.200 7.718 -24.695 199 HE2 TYR 53 HE2 TYR 53 1.479 6.173 -28.689 200 HH TYR 53 HH TYR 53 3.185 7.618 -26.098 201 H VAL 54 H VAL 54 -4.717 5.147 -23.769 202 HA VAL 54 HA VAL 54 -7.027 3.976 -25.186 203 HB VAL 54 HB VAL 54 -5.708 2.227 -23.108 204 1HG1 VAL 54 1HG1 VAL 54 -7.070 0.553 -24.008 205 2HG1 VAL 54 2HG1 VAL 54 -7.194 1.355 -25.572 206 3HG1 VAL 54 3HG1 VAL 54 -8.085 1.983 -24.187 207 1HG2 VAL 54 1HG2 VAL 54 -3.953 2.656 -24.819 208 2HG2 VAL 54 2HG2 VAL 54 -5.081 2.166 -26.083 209 3HG2 VAL 54 3HG2 VAL 54 -4.531 0.991 -24.888 210 H GLN 55 H GLN 55 -7.545 2.607 -22.335 211 HA GLN 55 HA GLN 55 -7.696 4.782 -20.477 212 1HB GLN 55 2HB GLN 55 -9.798 4.619 -22.467 213 2HB GLN 55 1HB GLN 55 -10.460 4.396 -20.848 214 1HG GLN 55 2HG GLN 55 -9.764 6.503 -20.128 215 2HG GLN 55 1HG GLN 55 -8.493 6.611 -21.347 216 1HE2 GLN 55 1HE2 GLN 55 -10.730 8.554 -20.812 217 2HE2 GLN 55 2HE2 GLN 55 -11.574 8.685 -22.279 218 H ILE 56 H ILE 56 -7.313 3.543 -18.749 219 HA ILE 56 HA ILE 56 -9.208 1.335 -18.122 220 HB ILE 56 HB ILE 56 -7.129 0.097 -17.177 221 1HG1 ILE 56 2HG1 ILE 56 -5.571 1.258 -19.413 222 2HG1 ILE 56 1HG1 ILE 56 -5.801 2.334 -18.034 223 1HG2 ILE 56 1HG2 ILE 56 -7.225 -1.263 -19.012 224 2HG2 ILE 56 2HG2 ILE 56 -7.034 0.074 -20.146 225 3HG2 ILE 56 3HG2 ILE 56 -8.602 -0.234 -19.399 226 1HD1 ILE 56 1HD1 ILE 56 -4.963 0.544 -16.525 227 2HD1 ILE 56 2HD1 ILE 56 -3.759 1.009 -17.726 228 3HD1 ILE 56 3HD1 ILE 56 -4.676 -0.483 -17.930 229 H ASP 57 H ASP 57 -8.954 0.705 -15.756 230 HA ASP 57 HA ASP 57 -8.471 3.175 -14.167 231 1HB ASP 57 2HB ASP 57 -10.157 0.716 -13.782 232 2HB ASP 57 1HB ASP 57 -9.652 1.645 -12.372 233 HA PRO 58 HA PRO 58 -4.930 1.378 -12.207 234 1HB PRO 58 2HB PRO 58 -5.155 2.286 -9.637 235 2HB PRO 58 1HB PRO 58 -4.684 3.318 -10.995 236 1HG PRO 58 2HG PRO 58 -7.281 3.151 -9.562 237 2HG PRO 58 1HG PRO 58 -6.505 4.541 -10.338 238 1HD PRO 58 2HD PRO 58 -8.604 3.061 -11.431 239 2HD PRO 58 1HD PRO 58 -7.510 4.116 -12.352 240 H GLU 59 H GLU 59 -8.050 0.857 -10.677 241 HA GLU 59 HA GLU 59 -7.234 -1.311 -8.956 242 1HB GLU 59 2HB GLU 59 -9.950 -0.732 -10.184 243 2HB GLU 59 1HB GLU 59 -9.643 -1.818 -8.828 244 1HG GLU 59 2HG GLU 59 -9.079 -0.058 -7.380 245 2HG GLU 59 1HG GLU 59 -8.745 1.053 -8.710 246 H MET 60 H MET 60 -7.592 -1.039 -12.375 247 HA MET 60 HA MET 60 -8.136 -3.910 -12.773 248 1HB MET 60 2HB MET 60 -7.811 -1.518 -14.583 249 2HB MET 60 1HB MET 60 -7.762 -3.150 -15.237 250 1HG MET 60 2HG MET 60 -10.004 -2.760 -13.387 251 2HG MET 60 1HG MET 60 -10.063 -1.654 -14.756 252 1HE MET 60 1HE MET 60 -11.095 -2.617 -17.280 253 2HE MET 60 2HE MET 60 -9.850 -3.747 -17.810 254 3HE MET 60 3HE MET 60 -9.389 -2.280 -16.950 255 H VAL 61 H VAL 61 -5.446 -1.682 -12.671 256 HA VAL 61 HA VAL 61 -3.629 -3.695 -13.872 257 HB VAL 61 HB VAL 61 -3.044 -0.865 -12.948 258 1HG1 VAL 61 1HG1 VAL 61 -0.945 -1.101 -13.931 259 2HG1 VAL 61 2HG1 VAL 61 -1.474 -2.411 -14.986 260 3HG1 VAL 61 3HG1 VAL 61 -1.193 -2.717 -13.273 261 1HG2 VAL 61 1HG2 VAL 61 -4.445 -0.436 -14.728 262 2HG2 VAL 61 2HG2 VAL 61 -4.147 -2.005 -15.476 263 3HG2 VAL 61 3HG2 VAL 61 -2.953 -0.716 -15.626 264 H THR 62 H THR 62 -2.670 -5.110 -12.481 265 HA THR 62 HA THR 62 -2.542 -4.478 -9.615 266 HB THR 62 HB THR 62 -1.623 -7.002 -11.006 267 HG1 THR 62 HG1 THR 62 -3.661 -7.763 -10.698 268 1HG2 THR 62 1HG2 THR 62 -0.778 -7.068 -8.836 269 2HG2 THR 62 2HG2 THR 62 -2.343 -7.857 -8.637 270 3HG2 THR 62 3HG2 THR 62 -2.140 -6.168 -8.170 271 H VAL 63 H VAL 63 -0.486 -4.883 -8.433 272 HA VAL 63 HA VAL 63 1.968 -4.547 -10.077 273 HB VAL 63 HB VAL 63 1.336 -2.830 -7.663 274 1HG1 VAL 63 1HG1 VAL 63 3.304 -1.571 -9.058 275 2HG1 VAL 63 2HG1 VAL 63 3.682 -3.251 -9.435 276 3HG1 VAL 63 3HG1 VAL 63 3.622 -2.717 -7.756 277 1HG2 VAL 63 1HG2 VAL 63 -0.142 -2.127 -9.423 278 2HG2 VAL 63 2HG2 VAL 63 1.136 -2.260 -10.630 279 3HG2 VAL 63 3HG2 VAL 63 1.205 -0.990 -9.409 280 H GLN 64 H GLN 64 3.203 -6.254 -9.448 281 HA GLN 64 HA GLN 64 3.362 -6.842 -6.535 282 1HB GLN 64 2HB GLN 64 3.520 -9.263 -7.090 283 2HB GLN 64 1HB GLN 64 1.971 -8.574 -7.574 284 1HG GLN 64 2HG GLN 64 3.079 -8.188 -9.879 285 2HG GLN 64 1HG GLN 64 4.320 -9.308 -9.325 286 1HE2 GLN 64 1HE2 GLN 64 1.553 -9.272 -11.118 287 2HE2 GLN 64 2HE2 GLN 64 0.981 -10.841 -10.816 288 H LEU 65 H LEU 65 5.394 -6.625 -5.826 289 HA LEU 65 HA LEU 65 7.595 -6.644 -7.785 290 1HB LEU 65 2HB LEU 65 8.913 -5.707 -5.897 291 2HB LEU 65 1HB LEU 65 7.499 -4.734 -6.280 292 HG LEU 65 HG LEU 65 7.008 -6.870 -4.299 293 1HD1 LEU 65 1HD1 LEU 65 8.979 -6.440 -3.203 294 2HD1 LEU 65 2HD1 LEU 65 8.047 -5.080 -2.577 295 3HD1 LEU 65 3HD1 LEU 65 9.155 -4.841 -3.928 296 1HD2 LEU 65 1HD2 LEU 65 6.537 -3.941 -3.873 297 2HD2 LEU 65 2HD2 LEU 65 5.513 -5.312 -3.443 298 3HD2 LEU 65 3HD2 LEU 65 5.602 -4.769 -5.119 299 H GLU 66 H GLU 66 9.367 -8.008 -7.611 300 HA GLU 66 HA GLU 66 9.198 -10.190 -5.584 301 1HB GLU 66 2HB GLU 66 9.509 -10.391 -8.576 302 2HB GLU 66 1HB GLU 66 10.129 -11.662 -7.524 303 1HG GLU 66 2HG GLU 66 7.268 -10.664 -7.609 304 2HG GLU 66 1HG GLU 66 7.844 -12.170 -8.316 305 H GLN 67 H GLN 67 11.460 -11.471 -5.797 306 HA GLN 67 HA GLN 67 13.689 -9.631 -6.415 307 1HB GLN 67 2HB GLN 67 13.050 -10.625 -3.629 308 2HB GLN 67 1HB GLN 67 14.653 -10.051 -4.089 309 1HG GLN 67 2HG GLN 67 13.688 -7.885 -4.771 310 2HG GLN 67 1HG GLN 67 12.084 -8.455 -4.307 311 1HE2 GLN 67 1HE2 GLN 67 11.485 -7.804 -2.243 312 2HE2 GLN 67 2HE2 GLN 67 12.556 -7.506 -0.962 313 H LYS 68 H LYS 68 15.756 -10.733 -6.455 314 HA LYS 68 HA LYS 68 15.465 -13.697 -6.713 315 1HB LYS 68 2HB LYS 68 17.291 -11.723 -8.086 316 2HB LYS 68 1HB LYS 68 17.586 -13.459 -8.126 317 1HG LYS 68 2HG LYS 68 15.926 -13.821 -9.625 318 2HG LYS 68 1HG LYS 68 14.809 -12.755 -8.776 319 1HD LYS 68 2HD LYS 68 15.290 -11.845 -10.999 320 2HD LYS 68 1HD LYS 68 15.973 -10.789 -9.762 321 1HE LYS 68 2HE LYS 68 17.698 -11.030 -11.380 322 2HE LYS 68 1HE LYS 68 18.152 -12.114 -10.066 323 1HZ LYS 68 1HZ LYS 68 16.870 -13.863 -11.382 324 2HZ LYS 68 2HZ LYS 68 18.394 -13.396 -11.970 325 3HZ LYS 68 3HZ LYS 68 16.979 -12.789 -12.690 326 H ASP 69 H ASP 69 17.714 -14.807 -6.322 327 HA ASP 69 HA ASP 69 18.540 -14.101 -3.624 328 1HB ASP 69 2HB ASP 69 19.050 -16.350 -5.515 329 2HB ASP 69 1HB ASP 69 20.219 -16.084 -4.221 330 H GLY 70 H GLY 70 19.460 -12.836 -6.558 331 1HA GLY 70 2HA GLY 70 22.320 -12.560 -5.765 332 2HA GLY 70 1HA GLY 70 21.689 -12.270 -7.386 333 H ASP 71 H ASP 71 20.144 -11.096 -4.453 334 HA ASP 71 HA ASP 71 19.672 -8.920 -3.726 335 1HB ASP 71 2HB ASP 71 22.427 -8.602 -4.917 336 2HB ASP 71 1HB ASP 71 21.557 -7.217 -4.261 337 H ILE 72 H ILE 72 18.378 -9.678 -6.023 338 HA ILE 72 HA ILE 72 18.390 -7.159 -7.629 339 HB ILE 72 HB ILE 72 17.696 -9.907 -8.689 340 1HG1 ILE 72 2HG1 ILE 72 20.319 -8.383 -8.690 341 2HG1 ILE 72 1HG1 ILE 72 20.024 -10.003 -8.082 342 1HG2 ILE 72 1HG2 ILE 72 18.372 -7.300 -10.082 343 2HG2 ILE 72 2HG2 ILE 72 16.736 -7.914 -9.845 344 3HG2 ILE 72 3HG2 ILE 72 17.873 -8.801 -10.860 345 1HD1 ILE 72 1HD1 ILE 72 19.636 -10.834 -10.347 346 2HD1 ILE 72 2HD1 ILE 72 21.195 -10.014 -10.283 347 3HD1 ILE 72 3HD1 ILE 72 19.803 -9.206 -11.003 348 H SER 73 H SER 73 16.273 -6.540 -8.465 349 HA SER 73 HA SER 73 14.027 -7.689 -6.855 350 1HB SER 73 2HB SER 73 14.067 -4.904 -8.022 351 2HB SER 73 1HB SER 73 13.050 -5.533 -6.728 352 HG SER 73 HG SER 73 15.788 -4.853 -6.703 353 H ILE 74 H ILE 74 11.864 -7.405 -7.980 354 HA ILE 74 HA ILE 74 12.010 -7.349 -10.934 355 HB ILE 74 HB ILE 74 11.124 -9.745 -9.305 356 1HG1 ILE 74 2HG1 ILE 74 13.269 -9.340 -11.410 357 2HG1 ILE 74 1HG1 ILE 74 13.524 -9.637 -9.696 358 1HG2 ILE 74 1HG2 ILE 74 10.534 -10.769 -11.516 359 2HG2 ILE 74 2HG2 ILE 74 10.779 -9.192 -12.269 360 3HG2 ILE 74 3HG2 ILE 74 9.491 -9.413 -11.085 361 1HD1 ILE 74 1HD1 ILE 74 11.832 -11.716 -10.724 362 2HD1 ILE 74 2HD1 ILE 74 13.451 -11.855 -10.038 363 3HD1 ILE 74 3HD1 ILE 74 13.247 -11.569 -11.766 364 H LEU 75 H LEU 75 10.694 -5.437 -10.645 365 HA LEU 75 HA LEU 75 8.139 -5.583 -9.262 366 1HB LEU 75 2HB LEU 75 9.523 -3.478 -9.546 367 2HB LEU 75 1HB LEU 75 9.062 -3.494 -11.246 368 HG LEU 75 HG LEU 75 6.630 -3.831 -9.945 369 1HD1 LEU 75 1HD1 LEU 75 7.170 -3.265 -7.773 370 2HD1 LEU 75 2HD1 LEU 75 6.868 -1.652 -8.421 371 3HD1 LEU 75 3HD1 LEU 75 8.523 -2.243 -8.264 372 1HD2 LEU 75 1HD2 LEU 75 8.012 -1.327 -10.955 373 2HD2 LEU 75 2HD2 LEU 75 6.294 -1.404 -10.563 374 3HD2 LEU 75 3HD2 LEU 75 6.947 -2.394 -11.869 375 H GLU 76 H GLU 76 6.592 -6.861 -10.142 376 HA GLU 76 HA GLU 76 6.246 -6.862 -13.110 377 1HB GLU 76 2HB GLU 76 5.023 -8.774 -11.106 378 2HB GLU 76 1HB GLU 76 5.101 -8.964 -12.855 379 1HG GLU 76 2HG GLU 76 7.435 -9.363 -12.822 380 2HG GLU 76 1HG GLU 76 7.609 -8.726 -11.189 381 H LEU 77 H LEU 77 4.553 -5.633 -13.854 382 HA LEU 77 HA LEU 77 2.307 -5.141 -11.943 383 1HB LEU 77 2HB LEU 77 1.899 -3.029 -13.255 384 2HB LEU 77 1HB LEU 77 3.417 -3.046 -12.363 385 HG LEU 77 HG LEU 77 3.480 -4.066 -15.160 386 1HD1 LEU 77 1HD1 LEU 77 3.923 -1.544 -15.768 387 2HD1 LEU 77 2HD1 LEU 77 2.903 -1.232 -14.363 388 3HD1 LEU 77 3HD1 LEU 77 2.269 -2.156 -15.726 389 1HD2 LEU 77 1HD2 LEU 77 5.707 -3.273 -15.080 390 2HD2 LEU 77 2HD2 LEU 77 5.419 -3.852 -13.440 391 3HD2 LEU 77 3HD2 LEU 77 5.342 -2.127 -13.793 392 H ASN 78 H ASN 78 0.431 -6.027 -12.524 393 HA ASN 78 HA ASN 78 0.121 -7.165 -15.223 394 1HB ASN 78 2HB ASN 78 -1.842 -7.206 -12.929 395 2HB ASN 78 1HB ASN 78 -1.785 -8.284 -14.310 396 1HD2 ASN 78 1HD2 ASN 78 -0.889 -10.286 -13.790 397 2HD2 ASN 78 2HD2 ASN 78 0.350 -10.532 -12.664 398 H VAL 79 H VAL 79 -1.341 -6.362 -16.723 399 HA VAL 79 HA VAL 79 -2.861 -3.920 -15.902 400 HB VAL 79 HB VAL 79 -1.786 -4.445 -18.680 401 1HG1 VAL 79 1HG1 VAL 79 -2.392 -2.205 -19.102 402 2HG1 VAL 79 2HG1 VAL 79 -2.490 -1.816 -17.384 403 3HG1 VAL 79 3HG1 VAL 79 -3.731 -2.821 -18.133 404 1HG2 VAL 79 1HG2 VAL 79 -0.400 -3.514 -16.248 405 2HG2 VAL 79 2HG2 VAL 79 -0.266 -2.392 -17.602 406 3HG2 VAL 79 3HG2 VAL 79 0.274 -4.060 -17.783 407 H THR 80 H THR 80 -4.807 -5.017 -15.536 408 HA THR 80 HA THR 80 -5.912 -6.883 -17.479 409 HB THR 80 HB THR 80 -7.287 -5.439 -15.190 410 HG1 THR 80 HG1 THR 80 -6.411 -6.874 -13.940 411 1HG2 THR 80 1HG2 THR 80 -9.063 -6.339 -16.342 412 2HG2 THR 80 2HG2 THR 80 -8.589 -7.769 -15.425 413 3HG2 THR 80 3HG2 THR 80 -8.074 -7.586 -17.102 414 H LEU 81 H LEU 81 -6.046 -5.741 -19.463 415 HA LEU 81 HA LEU 81 -7.453 -3.177 -19.593 416 1HB LEU 81 2HB LEU 81 -6.394 -5.048 -21.735 417 2HB LEU 81 1HB LEU 81 -7.092 -3.463 -22.052 418 HG LEU 81 HG LEU 81 -4.950 -3.543 -20.001 419 1HD1 LEU 81 1HD1 LEU 81 -4.259 -5.107 -21.937 420 2HD1 LEU 81 2HD1 LEU 81 -3.148 -3.804 -21.514 421 3HD1 LEU 81 3HD1 LEU 81 -4.196 -3.646 -22.922 422 1HD2 LEU 81 1HD2 LEU 81 -5.678 -1.380 -20.487 423 2HD2 LEU 81 2HD2 LEU 81 -5.936 -1.742 -22.193 424 3HD2 LEU 81 3HD2 LEU 81 -4.299 -1.525 -21.575 425 HA PRO 82 HA PRO 82 -11.417 -5.198 -20.216 426 1HB PRO 82 2HB PRO 82 -12.864 -2.953 -20.783 427 2HB PRO 82 1HB PRO 82 -12.330 -3.381 -19.151 428 1HG PRO 82 2HG PRO 82 -11.361 -1.252 -20.938 429 2HG PRO 82 1HG PRO 82 -11.253 -1.383 -19.178 430 1HD PRO 82 2HD PRO 82 -9.185 -1.906 -21.077 431 2HD PRO 82 1HD PRO 82 -9.129 -2.159 -19.319 432 H GLU 83 H GLU 83 -13.284 -4.978 -21.971 433 HA GLU 83 HA GLU 83 -12.221 -5.709 -24.500 434 1HB GLU 83 2HB GLU 83 -14.863 -5.294 -23.320 435 2HB GLU 83 1HB GLU 83 -14.822 -4.819 -25.015 436 1HG GLU 83 2HG GLU 83 -13.642 -7.063 -25.442 437 2HG GLU 83 1HG GLU 83 -14.163 -7.510 -23.817 438 H ALA 84 H ALA 84 -13.534 -4.338 -26.461 439 HA ALA 84 HA ALA 84 -13.403 -1.496 -26.278 440 1HB ALA 84 1HB ALA 84 -11.000 -2.848 -27.539 441 2HB ALA 84 2HB ALA 84 -10.987 -1.843 -26.089 442 3HB ALA 84 3HB ALA 84 -11.359 -1.125 -27.658 443 H GLU 85 H GLU 85 -13.871 -0.491 -28.364 444 HA GLU 85 HA GLU 85 -14.082 -1.951 -30.805 445 1HB GLU 85 2HB GLU 85 -15.909 -3.023 -29.310 446 2HB GLU 85 1HB GLU 85 -16.783 -1.508 -29.540 447 1HG GLU 85 2HG GLU 85 -16.773 -1.793 -31.944 448 2HG GLU 85 1HG GLU 85 -15.723 -3.204 -31.816 449 H GLU 86 H GLU 86 -13.061 0.234 -31.106 450 HA GLU 86 HA GLU 86 -14.908 2.050 -32.339 451 1HB GLU 86 2HB GLU 86 -14.907 2.415 -29.655 452 2HB GLU 86 1HB GLU 86 -13.558 3.461 -30.103 453 1HG GLU 86 2HG GLU 86 -15.297 4.956 -30.380 454 2HG GLU 86 1HG GLU 86 -15.273 4.243 -31.993 455 H LEU 87 H LEU 87 -12.415 0.662 -32.932 456 HA LEU 87 HA LEU 87 -10.371 2.793 -33.057 457 1HB LEU 87 2HB LEU 87 -10.437 -0.142 -33.719 458 2HB LEU 87 1HB LEU 87 -9.147 0.877 -34.360 459 HG LEU 87 HG LEU 87 -9.088 1.695 -31.800 460 1HD1 LEU 87 1HD1 LEU 87 -9.446 -0.207 -30.300 461 2HD1 LEU 87 2HD1 LEU 87 -9.934 -1.215 -31.663 462 3HD1 LEU 87 3HD1 LEU 87 -10.938 0.149 -31.172 463 1HD2 LEU 87 1HD2 LEU 87 -7.780 -0.934 -32.450 464 2HD2 LEU 87 2HD2 LEU 87 -7.104 0.466 -31.617 465 3HD2 LEU 87 3HD2 LEU 87 -7.341 0.510 -33.364 466 H LYS 88 HN LYS 88 -11.361 4.275 -34.518 467 HA LYS 88 HA LYS 88 -11.686 3.255 -37.313 468 1HB LYS 88 2HB LYS 88 -13.647 4.404 -35.901 469 2HB LYS 88 1HB LYS 88 -12.860 5.872 -36.481 470 1HG LYS 88 2HG LYS 88 -14.318 5.467 -38.239 471 2HG LYS 88 1HG LYS 88 -12.900 4.579 -38.798 472 1HD LYS 88 2HD LYS 88 -14.793 3.105 -37.034 473 2HD LYS 88 1HD LYS 88 -15.341 3.454 -38.674 474 1HE LYS 88 2HE LYS 88 -12.965 2.565 -39.359 475 2HE LYS 88 1HE LYS 88 -13.007 1.791 -37.775 476 1HZ LYS 88 1HZ LYS 88 -13.933 0.249 -39.249 477 2HZ LYS 88 2HZ LYS 88 -14.870 1.421 -40.044 478 3HZ LYS 88 3HZ LYS 88 -15.269 0.940 -38.465 479 1H ARG 31 1H ARG 31 4.097 -12.095 -33.018 480 2H ARG 31 2H ARG 31 5.052 -11.164 -34.070 481 3H ARG 31 3H ARG 31 3.369 -11.242 -34.290 482 HA ARG 31 HA ARG 31 4.530 -10.191 -31.788 483 1HB ARG 31 2HB ARG 31 5.394 -9.014 -33.923 484 2HB ARG 31 1HB ARG 31 3.731 -8.468 -34.135 485 1HG ARG 31 2HG ARG 31 4.109 -6.798 -32.674 486 2HG ARG 31 1HG ARG 31 4.402 -7.990 -31.409 487 1HD ARG 31 2HD ARG 31 6.496 -6.995 -33.367 488 2HD ARG 31 1HD ARG 31 6.325 -6.436 -31.703 489 HE ARG 31 HE ARG 31 6.537 -9.257 -31.620 490 1HH1 ARG 31 1HH2 ARG 31 8.477 -6.492 -32.526 491 2HH1 ARG 31 2HH2 ARG 31 9.966 -7.284 -32.146 492 1HH2 ARG 31 1HH1 ARG 31 8.486 -10.246 -31.141 493 2HH2 ARG 31 2HH1 ARG 31 9.973 -9.387 -31.369 494 H SER 32 H SER 32 2.578 -11.275 -30.945 495 HA SER 32 HA SER 32 -0.059 -10.747 -31.858 496 1HB SER 32 2HB SER 32 0.600 -11.136 -28.949 497 2HB SER 32 1HB SER 32 -0.805 -11.706 -29.847 498 HG SER 32 HG SER 32 0.602 -13.103 -30.986 499 H ASP 33 H ASP 33 2.172 -8.702 -30.161 500 HA ASP 33 HA ASP 33 0.076 -6.958 -29.103 501 1HB ASP 33 2HB ASP 33 3.058 -6.468 -29.197 502 2HB ASP 33 1HB ASP 33 1.877 -5.636 -28.185 503 H ALA 34 H ALA 34 0.851 -7.405 -32.165 504 HA ALA 34 HA ALA 34 1.367 -4.620 -32.924 505 1HB ALA 34 1HB ALA 34 1.069 -7.178 -34.506 506 2HB ALA 34 2HB ALA 34 2.545 -6.255 -34.227 507 3HB ALA 34 3HB ALA 34 1.278 -5.599 -35.264 508 H GLU 35 H GLU 35 -1.328 -6.665 -32.362 509 HA GLU 35 HA GLU 35 -3.172 -5.696 -34.294 510 1HB GLU 35 2HB GLU 35 -3.869 -6.578 -31.482 511 2HB GLU 35 1HB GLU 35 -4.903 -6.623 -32.904 512 1HG GLU 35 2HG GLU 35 -2.381 -8.053 -33.330 513 2HG GLU 35 1HG GLU 35 -3.301 -8.709 -31.980 514 HA PRO 36 HA PRO 36 -4.374 -2.251 -31.199 515 1HB PRO 36 2HB PRO 36 -2.878 -1.896 -28.945 516 2HB PRO 36 1HB PRO 36 -4.248 -3.011 -29.038 517 1HG PRO 36 2HG PRO 36 -1.380 -3.596 -28.867 518 2HG PRO 36 1HG PRO 36 -2.765 -4.636 -28.508 519 1HD PRO 36 2HD PRO 36 -1.129 -4.627 -30.871 520 2HD PRO 36 1HD PRO 36 -2.505 -5.671 -30.507 521 H HIS 37 H HIS 37 -0.824 -2.670 -31.127 522 HA HIS 37 HA HIS 37 0.882 -1.311 -31.958 523 1HB HIS 37 2HB HIS 37 -1.062 -0.725 -33.695 524 2HB HIS 37 1HB HIS 37 -0.987 0.833 -32.871 525 HD1 HIS 37 HD1 HIS 37 1.069 2.293 -33.274 526 HD2 HIS 37 HD2 HIS 37 1.398 -1.474 -35.029 527 HE1 HIS 37 HE1 HIS 37 3.113 2.374 -34.767 528 H TYR 38 H TYR 38 -1.132 -0.578 -29.462 529 HA TYR 38 HA TYR 38 0.483 1.823 -28.735 530 1HB TYR 38 2HB TYR 38 -1.509 2.445 -27.264 531 2HB TYR 38 1HB TYR 38 -1.756 2.620 -28.999 532 HD1 TYR 38 HD1 TYR 38 -3.321 1.236 -30.192 533 HD2 TYR 38 HD2 TYR 38 -2.483 0.501 -26.044 534 HE1 TYR 38 HE1 TYR 38 -5.262 -0.302 -30.073 535 HE2 TYR 38 HE2 TYR 38 -4.424 -1.037 -25.925 536 HH TYR 38 HH TYR 38 -5.718 -2.505 -27.730 537 H LEU 39 H LEU 39 -1.054 -1.168 -27.654 538 HA LEU 39 HA LEU 39 -0.471 -1.166 -24.924 539 1HB LEU 39 2HB LEU 39 -1.279 -3.052 -26.868 540 2HB LEU 39 1HB LEU 39 0.112 -3.768 -26.061 541 HG LEU 39 HG LEU 39 -1.935 -4.386 -24.869 542 1HD1 LEU 39 1HD1 LEU 39 -1.309 -3.730 -22.652 543 2HD1 LEU 39 2HD1 LEU 39 -0.561 -2.242 -23.231 544 3HD1 LEU 39 3HD1 LEU 39 0.189 -3.800 -23.581 545 1HD2 LEU 39 1HD2 LEU 39 -2.462 -1.471 -25.166 546 2HD2 LEU 39 2HD2 LEU 39 -3.001 -2.221 -23.664 547 3HD2 LEU 39 3HD2 LEU 39 -3.586 -2.829 -25.212 548 HA PRO 40 HA PRO 40 3.951 -2.869 -25.828 549 1HB PRO 40 2HB PRO 40 4.877 -2.738 -28.400 550 2HB PRO 40 1HB PRO 40 4.043 -4.146 -27.723 551 1HG PRO 40 2HG PRO 40 3.040 -2.080 -29.600 552 2HG PRO 40 1HG PRO 40 2.603 -3.787 -29.450 553 1HD PRO 40 2HD PRO 40 1.086 -1.649 -28.507 554 2HD PRO 40 1HD PRO 40 0.910 -3.337 -27.983 555 H GLN 41 H GLN 41 2.666 -0.012 -27.280 556 HA GLN 41 HA GLN 41 5.185 1.447 -27.455 557 1HB GLN 41 2HB GLN 41 3.275 2.070 -28.881 558 2HB GLN 41 1HB GLN 41 2.289 2.378 -27.453 559 1HG GLN 41 2HG GLN 41 3.101 4.506 -28.264 560 2HG GLN 41 1HG GLN 41 3.960 4.136 -26.769 561 1HE2 GLN 41 1HE2 GLN 41 5.950 5.209 -27.248 562 2HE2 GLN 41 2HE2 GLN 41 6.957 4.759 -28.540 563 H LEU 42 H LEU 42 2.590 0.984 -25.117 564 HA LEU 42 HA LEU 42 3.506 3.034 -23.308 565 1HB LEU 42 2HB LEU 42 1.658 0.679 -22.859 566 2HB LEU 42 1HB LEU 42 1.919 1.972 -21.717 567 HG LEU 42 HG LEU 42 0.316 3.209 -22.691 568 1HD1 LEU 42 1HD1 LEU 42 0.446 4.119 -24.891 569 2HD1 LEU 42 2HD1 LEU 42 1.454 2.795 -25.461 570 3HD1 LEU 42 3HD1 LEU 42 2.109 3.977 -24.330 571 1HD2 LEU 42 1HD2 LEU 42 0.121 0.707 -24.323 572 2HD2 LEU 42 2HD2 LEU 42 -0.895 2.086 -24.738 573 3HD2 LEU 42 3HD2 LEU 42 -1.009 1.358 -23.136 574 H ARG 43 H ARG 43 3.828 -0.525 -23.456 575 HA ARG 43 HA ARG 43 5.207 -0.824 -20.983 576 1HB ARG 43 2HB ARG 43 5.933 -2.983 -21.820 577 2HB ARG 43 1HB ARG 43 4.279 -2.715 -22.329 578 1HG ARG 43 2HG ARG 43 5.109 -1.957 -24.540 579 2HG ARG 43 1HG ARG 43 6.751 -2.333 -24.031 580 1HD ARG 43 2HD ARG 43 6.139 -4.685 -23.702 581 2HD ARG 43 1HD ARG 43 4.473 -4.328 -24.162 582 HE ARG 43 HE ARG 43 6.099 -3.442 -26.288 583 1HH1 ARG 43 1HH2 ARG 43 5.320 -6.450 -24.685 584 2HH1 ARG 43 2HH2 ARG 43 5.591 -7.394 -26.108 585 1HH2 ARG 43 2HH1 ARG 43 6.436 -4.700 -28.104 586 2HH2 ARG 43 1HH1 ARG 43 6.216 -6.417 -28.024 587 H LYS 44 H LYS 44 6.432 -0.206 -24.283 588 HA LYS 44 HA LYS 44 9.180 -0.225 -23.524 589 1HB LYS 44 2HB LYS 44 9.576 0.916 -25.662 590 2HB LYS 44 1HB LYS 44 8.435 -0.402 -25.882 591 1HG LYS 44 2HG LYS 44 6.575 1.114 -25.950 592 2HG LYS 44 1HG LYS 44 7.575 2.465 -25.424 593 1HD LYS 44 2HD LYS 44 7.335 2.723 -27.785 594 2HD LYS 44 1HD LYS 44 8.961 2.088 -27.532 595 1HE LYS 44 2HE LYS 44 7.651 -0.244 -27.747 596 2HE LYS 44 1HE LYS 44 6.571 0.758 -28.717 597 1HZ LYS 44 1HZ LYS 44 9.501 0.475 -29.103 598 2HZ LYS 44 2HZ LYS 44 8.482 1.477 -30.021 599 3HZ LYS 44 3HZ LYS 44 8.299 -0.211 -30.082 600 H ASP 45 H ASP 45 6.630 2.186 -23.388 601 HA ASP 45 HA ASP 45 8.307 4.460 -22.930 602 1HB ASP 45 2HB ASP 45 5.422 3.860 -22.254 603 2HB ASP 45 1HB ASP 45 6.181 5.399 -21.874 604 H ILE 46 H ILE 46 6.622 2.196 -20.698 605 HA ILE 46 HA ILE 46 7.510 3.451 -18.294 606 HB ILE 46 HB ILE 46 5.733 1.656 -18.455 607 1HG1 ILE 46 2HG1 ILE 46 7.941 1.138 -16.445 608 2HG1 ILE 46 1HG1 ILE 46 6.773 2.453 -16.328 609 1HG2 ILE 46 1HG2 ILE 46 8.103 -0.002 -19.123 610 2HG2 ILE 46 2HG2 ILE 46 6.417 -0.208 -19.563 611 3HG2 ILE 46 3HG2 ILE 46 6.973 -0.695 -17.968 612 1HD1 ILE 46 1HD1 ILE 46 5.637 -0.257 -16.755 613 2HD1 ILE 46 2HD1 ILE 46 5.058 1.060 -15.735 614 3HD1 ILE 46 3HD1 ILE 46 6.381 0.033 -15.183 615 H LEU 47 H LEU 47 9.142 1.308 -20.539 616 HA LEU 47 HA LEU 47 11.361 0.625 -18.845 617 1HB LEU 47 2HB LEU 47 10.913 0.680 -21.827 618 2HB LEU 47 1HB LEU 47 12.511 0.349 -21.168 619 HG LEU 47 HG LEU 47 10.044 -1.172 -20.311 620 1HD1 LEU 47 1HD1 LEU 47 12.107 -2.273 -22.195 621 2HD1 LEU 47 2HD1 LEU 47 10.781 -1.299 -22.832 622 3HD1 LEU 47 3HD1 LEU 47 10.438 -2.787 -21.949 623 1HD2 LEU 47 1HD2 LEU 47 13.004 -1.362 -19.852 624 2HD2 LEU 47 2HD2 LEU 47 12.041 -2.839 -19.843 625 3HD2 LEU 47 3HD2 LEU 47 11.683 -1.548 -18.697 626 H GLU 48 H GLU 48 10.751 3.192 -21.214 627 HA GLU 48 HA GLU 48 13.306 4.492 -20.842 628 1HB GLU 48 2HB GLU 48 10.920 6.091 -21.689 629 2HB GLU 48 1HB GLU 48 12.567 6.138 -22.307 630 1HG GLU 48 2HG GLU 48 11.758 3.585 -22.983 631 2HG GLU 48 1HG GLU 48 10.282 4.514 -23.172 632 H VAL 49 H VAL 49 10.091 4.759 -19.440 633 HA VAL 49 HA VAL 49 10.510 7.118 -17.892 634 HB VAL 49 HB VAL 49 8.780 4.717 -17.207 635 1HG1 VAL 49 1HG1 VAL 49 9.286 6.498 -15.424 636 2HG1 VAL 49 2HG1 VAL 49 7.586 6.173 -15.760 637 3HG1 VAL 49 3HG1 VAL 49 8.359 7.607 -16.433 638 1HG2 VAL 49 1HG2 VAL 49 8.616 6.351 -19.463 639 2HG2 VAL 49 2HG2 VAL 49 7.472 7.086 -18.342 640 3HG2 VAL 49 3HG2 VAL 49 7.301 5.389 -18.789 641 H ILE 50 H ILE 50 10.751 3.665 -16.894 642 HA ILE 50 HA ILE 50 11.929 4.145 -14.346 643 HB ILE 50 HB ILE 50 12.464 1.807 -16.208 644 1HG1 ILE 50 2HG1 ILE 50 10.487 1.832 -13.941 645 2HG1 ILE 50 1HG1 ILE 50 10.013 2.434 -15.528 646 1HG2 ILE 50 1HG2 ILE 50 14.037 2.040 -14.282 647 2HG2 ILE 50 2HG2 ILE 50 13.030 0.598 -14.166 648 3HG2 ILE 50 3HG2 ILE 50 12.653 2.016 -13.189 649 1HD1 ILE 50 1HD1 ILE 50 9.435 0.139 -15.583 650 2HD1 ILE 50 2HD1 ILE 50 10.926 -0.342 -14.774 651 3HD1 ILE 50 3HD1 ILE 50 10.971 0.219 -16.446 652 H CYS 51 H CYS 51 13.246 4.377 -17.561 653 HA CYS 51 HA CYS 51 16.026 4.283 -16.793 654 1HB CYS 51 2HB CYS 51 14.965 3.902 -19.139 655 2HB CYS 51 1HB CYS 51 14.962 5.662 -19.254 656 HG CYS 51 HG CYS 51 17.698 4.644 -18.425 657 H LYS 52 H LYS 52 13.733 6.905 -17.553 658 HA LYS 52 HA LYS 52 15.498 9.096 -17.210 659 1HB LYS 52 2HB LYS 52 12.563 9.023 -16.462 660 2HB LYS 52 1HB LYS 52 13.515 10.463 -16.807 661 1HG LYS 52 2HG LYS 52 13.562 10.055 -19.083 662 2HG LYS 52 1HG LYS 52 13.397 8.311 -18.883 663 1HD LYS 52 2HD LYS 52 11.230 8.705 -19.499 664 2HD LYS 52 1HD LYS 52 11.040 9.148 -17.802 665 1HE LYS 52 2HE LYS 52 10.127 10.970 -19.036 666 2HE LYS 52 1HE LYS 52 11.714 11.517 -18.495 667 1HZ LYS 52 1HZ LYS 52 10.846 10.709 -21.186 668 2HZ LYS 52 2HZ LYS 52 12.479 10.532 -20.747 669 3HZ LYS 52 3HZ LYS 52 11.746 12.065 -20.711 670 H TYR 53 H TYR 53 13.805 7.142 -14.831 671 HA TYR 53 HA TYR 53 14.781 8.893 -12.643 672 1HB TYR 53 2HB TYR 53 12.814 6.582 -12.642 673 2HB TYR 53 1HB TYR 53 13.238 7.550 -11.244 674 HD1 TYR 53 HD1 TYR 53 12.093 8.094 -14.787 675 HD2 TYR 53 HD2 TYR 53 11.783 9.279 -10.677 676 HE1 TYR 53 HE1 TYR 53 10.325 9.697 -15.401 677 HE2 TYR 53 HE2 TYR 53 10.003 10.895 -11.292 678 HH TYR 53 HH TYR 53 8.466 10.863 -14.350 679 H VAL 54 H VAL 54 15.483 5.892 -14.221 680 HA VAL 54 HA VAL 54 17.586 5.321 -12.230 681 HB VAL 54 HB VAL 54 15.784 3.012 -12.970 682 1HG1 VAL 54 1HG1 VAL 54 16.819 1.945 -11.166 683 2HG1 VAL 54 2HG1 VAL 54 17.219 3.465 -10.367 684 3HG1 VAL 54 3HG1 VAL 54 18.125 2.952 -11.791 685 1HG2 VAL 54 1HG2 VAL 54 14.284 4.724 -11.965 686 2HG2 VAL 54 2HG2 VAL 54 15.367 4.845 -10.580 687 3HG2 VAL 54 3HG2 VAL 54 14.499 3.342 -10.891 688 H GLN 55 H GLN 55 17.601 2.465 -13.687 689 HA GLN 55 HA GLN 55 18.081 3.042 -16.453 690 1HB GLN 55 2HB GLN 55 20.235 3.637 -14.605 691 2HB GLN 55 1HB GLN 55 20.718 2.373 -15.733 692 1HG GLN 55 2HG GLN 55 20.436 3.743 -17.600 693 2HG GLN 55 1HG GLN 55 19.306 4.812 -16.769 694 1HE2 GLN 55 1HE2 GLN 55 21.860 5.542 -18.184 695 2HE2 GLN 55 2HE2 GLN 55 22.813 6.327 -17.019 696 H ILE 56 H ILE 56 17.323 1.140 -17.146 697 HA ILE 56 HA ILE 56 18.659 -1.354 -16.221 698 HB ILE 56 HB ILE 56 16.304 -2.436 -16.403 699 1HG1 ILE 56 2HG1 ILE 56 15.187 0.114 -15.392 700 2HG1 ILE 56 1HG1 ILE 56 15.544 0.096 -17.118 701 1HG2 ILE 56 1HG2 ILE 56 16.236 -2.441 -14.118 702 2HG2 ILE 56 2HG2 ILE 56 16.414 -0.690 -14.001 703 3HG2 ILE 56 3HG2 ILE 56 17.825 -1.701 -14.313 704 1HD1 ILE 56 1HD1 ILE 56 14.243 -2.011 -17.342 705 2HD1 ILE 56 2HD1 ILE 56 13.250 -0.687 -16.732 706 3HD1 ILE 56 3HD1 ILE 56 13.844 -1.927 -15.627 707 H ASP 57 H ASP 57 18.114 -3.182 -17.777 708 HA ASP 57 HA ASP 57 18.057 -2.084 -20.543 709 1HB ASP 57 2HB ASP 57 19.152 -4.588 -19.290 710 2HB ASP 57 1HB ASP 57 18.757 -4.583 -21.009 711 HA PRO 58 HA PRO 58 14.088 -3.888 -21.315 712 1HB PRO 58 2HB PRO 58 14.320 -4.737 -23.906 713 2HB PRO 58 1HB PRO 58 14.175 -3.032 -23.449 714 1HG PRO 58 2HG PRO 58 16.570 -4.555 -24.325 715 2HG PRO 58 1HG PRO 58 16.163 -2.850 -24.570 716 1HD PRO 58 2HD PRO 58 17.971 -3.807 -22.672 717 2HD PRO 58 1HD PRO 58 17.192 -2.211 -22.626 718 H GLU 59 H GLU 59 16.911 -5.856 -22.024 719 HA GLU 59 HA GLU 59 15.536 -8.387 -22.197 720 1HB GLU 59 2HB GLU 59 18.393 -7.789 -21.356 721 2HB GLU 59 1HB GLU 59 17.767 -9.368 -21.834 722 1HG GLU 59 2HG GLU 59 17.490 -8.724 -24.074 723 2HG GLU 59 1HG GLU 59 17.492 -7.005 -23.678 724 H MET 60 H MET 60 16.180 -6.242 -19.575 725 HA MET 60 HA MET 60 16.131 -8.367 -17.529 726 1HB MET 60 2HB MET 60 16.447 -5.366 -17.498 727 2HB MET 60 1HB MET 60 16.098 -6.246 -16.016 728 1HG MET 60 2HG MET 60 18.237 -7.503 -17.578 729 2HG MET 60 1HG MET 60 18.624 -5.847 -17.120 730 1HE MET 60 1HE MET 60 19.601 -5.337 -14.446 731 2HE MET 60 2HE MET 60 18.186 -5.642 -13.443 732 3HE MET 60 3HE MET 60 17.988 -4.905 -15.031 733 H VAL 61 H VAL 61 13.974 -6.116 -19.109 734 HA VAL 61 HA VAL 61 11.859 -6.599 -17.086 735 HB VAL 61 HB VAL 61 11.824 -4.806 -19.534 736 1HG1 VAL 61 1HG1 VAL 61 9.796 -3.968 -18.750 737 2HG1 VAL 61 2HG1 VAL 61 10.108 -4.483 -17.093 738 3HG1 VAL 61 3HG1 VAL 61 9.651 -5.670 -18.314 739 1HG2 VAL 61 1HG2 VAL 61 13.405 -3.722 -18.252 740 2HG2 VAL 61 2HG2 VAL 61 12.834 -4.445 -16.748 741 3HG2 VAL 61 3HG2 VAL 61 11.954 -3.097 -17.469 742 H THR 62 H THR 62 10.527 -8.317 -17.444 743 HA THR 62 HA THR 62 10.337 -9.479 -20.135 744 HB THR 62 HB THR 62 9.003 -10.439 -17.596 745 HG1 THR 62 HG1 THR 62 10.807 -11.647 -17.253 746 1HG2 THR 62 1HG2 THR 62 8.013 -11.586 -19.366 747 2HG2 THR 62 2HG2 THR 62 9.357 -12.651 -18.953 748 3HG2 THR 62 3HG2 THR 62 9.487 -11.563 -20.335 749 H VAL 63 H VAL 63 8.164 -10.055 -20.994 750 HA VAL 63 HA VAL 63 5.957 -8.307 -20.038 751 HB VAL 63 HB VAL 63 6.770 -8.517 -22.948 752 1HG1 VAL 63 1HG1 VAL 63 5.216 -6.297 -22.701 753 2HG1 VAL 63 2HG1 VAL 63 4.518 -7.308 -21.437 754 3HG1 VAL 63 3HG1 VAL 63 4.572 -7.889 -23.101 755 1HG2 VAL 63 1HG2 VAL 63 8.482 -7.247 -21.839 756 2HG2 VAL 63 2HG2 VAL 63 7.292 -6.371 -20.876 757 3HG2 VAL 63 3HG2 VAL 63 7.409 -6.082 -22.612 758 H GLN 64 H GLN 64 4.348 -9.747 -19.630 759 HA GLN 64 HA GLN 64 3.865 -11.884 -21.644 760 1HB GLN 64 2HB GLN 64 3.237 -13.416 -19.785 761 2HB GLN 64 1HB GLN 64 4.927 -12.921 -19.692 762 1HG GLN 64 2HG GLN 64 4.088 -11.032 -18.137 763 2HG GLN 64 1HG GLN 64 2.604 -11.970 -18.013 764 1HE2 GLN 64 1HE2 GLN 64 5.433 -11.473 -16.395 765 2HE2 GLN 64 2HE2 GLN 64 5.637 -12.997 -15.677 766 H LEU 65 H LEU 65 1.881 -11.700 -22.486 767 HA LEU 65 HA LEU 65 -0.132 -10.098 -21.050 768 1HB LEU 65 2HB LEU 65 -1.349 -10.195 -23.215 769 2HB LEU 65 1HB LEU 65 0.262 -9.510 -23.377 770 HG LEU 65 HG LEU 65 0.150 -12.446 -23.686 771 1HD1 LEU 65 1HD1 LEU 65 -1.756 -12.336 -24.961 772 2HD1 LEU 65 2HD1 LEU 65 -0.603 -11.840 -26.200 773 3HD1 LEU 65 3HD1 LEU 65 -1.538 -10.625 -25.328 774 1HD2 LEU 65 1HD2 LEU 65 1.201 -10.508 -25.717 775 2HD2 LEU 65 2HD2 LEU 65 1.877 -12.049 -25.187 776 3HD2 LEU 65 3HD2 LEU 65 2.023 -10.622 -24.161 777 H GLU 66 H GLU 66 -2.160 -10.890 -20.512 778 HA GLU 66 HA GLU 66 -2.601 -13.820 -20.855 779 1HB GLU 66 2HB GLU 66 -2.736 -12.155 -18.345 780 2HB GLU 66 1HB GLU 66 -3.684 -13.635 -18.491 781 1HG GLU 66 2HG GLU 66 -0.678 -13.411 -18.808 782 2HG GLU 66 1HG GLU 66 -1.509 -14.049 -17.393 783 H GLN 67 H GLN 67 -5.062 -14.218 -20.089 784 HA GLN 67 HA GLN 67 -6.800 -11.944 -20.828 785 1HB GLN 67 2HB GLN 67 -6.582 -14.493 -22.446 786 2HB GLN 67 1HB GLN 67 -7.992 -13.435 -22.524 787 1HG GLN 67 2HG GLN 67 -6.544 -11.547 -23.179 788 2HG GLN 67 1HG GLN 67 -5.133 -12.604 -23.105 789 1HE2 GLN 67 1HE2 GLN 67 -4.555 -13.435 -25.110 790 2HE2 GLN 67 2HE2 GLN 67 -5.626 -13.728 -26.393 791 H LYS 68 H LYS 68 -9.046 -12.345 -20.294 792 HA LYS 68 HA LYS 68 -9.374 -14.570 -18.325 793 1HB LYS 68 2HB LYS 68 -10.639 -11.835 -18.505 794 2HB LYS 68 1HB LYS 68 -11.292 -13.103 -17.474 795 1HG LYS 68 2HG LYS 68 -9.646 -12.858 -15.935 796 2HG LYS 68 1HG LYS 68 -8.389 -12.761 -17.168 797 1HD LYS 68 2HD LYS 68 -8.512 -10.643 -15.944 798 2HD LYS 68 1HD LYS 68 -9.039 -10.400 -17.609 799 1HE LYS 68 2HE LYS 68 -10.659 -9.272 -16.284 800 2HE LYS 68 1HE LYS 68 -11.423 -10.794 -16.738 801 1HZ LYS 68 1HZ LYS 68 -10.452 -11.659 -14.559 802 2HZ LYS 68 2HZ LYS 68 -11.798 -10.626 -14.467 803 3HZ LYS 68 3HZ LYS 68 -10.241 -10.029 -14.144 804 H ASP 69 H ASP 69 -11.829 -15.191 -18.145 805 HA ASP 69 HA ASP 69 -12.671 -16.048 -20.793 806 1HB ASP 69 2HB ASP 69 -13.513 -16.586 -17.984 807 2HB ASP 69 1HB ASP 69 -14.687 -16.891 -19.265 808 H GLY 70 H GLY 70 -13.096 -13.141 -19.235 809 1HA GLY 70 2HA GLY 70 -15.881 -12.786 -20.236 810 2HA GLY 70 1HA GLY 70 -15.091 -11.741 -19.056 811 H ASP 71 H ASP 71 -13.540 -12.873 -22.003 812 HA ASP 71 HA ASP 71 -12.669 -11.700 -23.833 813 1HB ASP 71 2HB ASP 71 -15.204 -10.169 -23.253 814 2HB ASP 71 1HB ASP 71 -14.108 -9.658 -24.534 815 H ILE 72 H ILE 72 -11.407 -11.218 -21.445 816 HA ILE 72 HA ILE 72 -10.774 -8.305 -21.629 817 HB ILE 72 HB ILE 72 -10.607 -9.975 -19.112 818 1HG1 ILE 72 2HG1 ILE 72 -12.840 -8.228 -20.191 819 2HG1 ILE 72 1HG1 ILE 72 -12.938 -9.913 -19.709 820 1HG2 ILE 72 1HG2 ILE 72 -10.616 -6.978 -19.568 821 2HG2 ILE 72 2HG2 ILE 72 -9.168 -7.944 -19.284 822 3HG2 ILE 72 3HG2 ILE 72 -10.393 -7.799 -18.024 823 1HD1 ILE 72 1HD1 ILE 72 -12.578 -9.315 -17.368 824 2HD1 ILE 72 2HD1 ILE 72 -13.929 -8.381 -18.009 825 3HD1 ILE 72 3HD1 ILE 72 -12.351 -7.623 -17.807 826 H SER 73 H SER 73 -8.522 -7.779 -21.171 827 HA SER 73 HA SER 73 -6.686 -10.099 -21.636 828 1HB SER 73 2HB SER 73 -6.054 -7.229 -22.335 829 2HB SER 73 1HB SER 73 -5.287 -8.696 -22.937 830 HG SER 73 HG SER 73 -7.812 -7.599 -23.548 831 H ILE 74 H ILE 74 -4.440 -9.673 -20.745 832 HA ILE 74 HA ILE 74 -4.365 -7.864 -18.406 833 HB ILE 74 HB ILE 74 -4.123 -10.881 -18.250 834 1HG1 ILE 74 2HG1 ILE 74 -5.981 -8.873 -16.942 835 2HG1 ILE 74 1HG1 ILE 74 -6.412 -10.057 -18.167 836 1HG2 ILE 74 1HG2 ILE 74 -3.611 -10.505 -15.824 837 2HG2 ILE 74 2HG2 ILE 74 -3.464 -8.781 -16.161 838 3HG2 ILE 74 3HG2 ILE 74 -2.337 -9.922 -16.895 839 1HD1 ILE 74 1HD1 ILE 74 -5.132 -11.436 -15.999 840 2HD1 ILE 74 2HD1 ILE 74 -6.787 -11.605 -16.583 841 3HD1 ILE 74 3HD1 ILE 74 -6.409 -10.409 -15.344 842 H LEU 75 H LEU 75 -2.697 -6.820 -19.670 843 HA LEU 75 HA LEU 75 -0.334 -8.286 -20.521 844 1HB LEU 75 2HB LEU 75 -1.217 -6.183 -21.624 845 2HB LEU 75 1HB LEU 75 -0.652 -5.294 -20.211 846 HG LEU 75 HG LEU 75 1.556 -6.837 -20.892 847 1HD1 LEU 75 1HD1 LEU 75 0.998 -7.555 -23.013 848 2HD1 LEU 75 2HD1 LEU 75 1.680 -5.980 -23.417 849 3HD1 LEU 75 3HD1 LEU 75 -0.068 -6.183 -23.313 850 1HD2 LEU 75 1HD2 LEU 75 0.811 -3.994 -21.645 851 2HD2 LEU 75 2HD2 LEU 75 2.441 -4.650 -21.796 852 3HD2 LEU 75 3HD2 LEU 75 1.687 -4.517 -20.207 853 H GLU 76 H GLU 76 0.965 -9.096 -18.952 854 HA GLU 76 HA GLU 76 1.508 -7.426 -16.533 855 1HB GLU 76 2HB GLU 76 2.155 -10.356 -16.940 856 2HB GLU 76 1HB GLU 76 2.161 -9.461 -15.423 857 1HG GLU 76 2HG GLU 76 -0.201 -9.297 -15.379 858 2HG GLU 76 1HG GLU 76 -0.349 -9.722 -17.083 859 H LEU 77 H LEU 77 3.470 -6.388 -16.536 860 HA LEU 77 HA LEU 77 5.631 -7.602 -18.209 861 1HB LEU 77 2HB LEU 77 6.568 -5.269 -18.362 862 2HB LEU 77 1HB LEU 77 5.023 -5.484 -19.178 863 HG LEU 77 HG LEU 77 4.940 -4.625 -16.328 864 1HD1 LEU 77 1HD1 LEU 77 5.086 -2.205 -17.350 865 2HD1 LEU 77 2HD1 LEU 77 6.048 -3.002 -18.594 866 3HD1 LEU 77 3HD1 LEU 77 6.565 -3.058 -16.908 867 1HD2 LEU 77 1HD2 LEU 77 2.932 -3.580 -17.013 868 2HD2 LEU 77 2HD2 LEU 77 2.975 -5.057 -17.977 869 3HD2 LEU 77 3HD2 LEU 77 3.442 -3.519 -18.700 870 H ASN 78 H ASN 78 7.313 -8.351 -17.088 871 HA ASN 78 HA ASN 78 7.562 -7.721 -14.221 872 1HB ASN 78 2HB ASN 78 9.307 -9.515 -15.910 873 2HB ASN 78 1HB ASN 78 9.120 -9.535 -14.167 874 1HD2 ASN 78 1HD2 ASN 78 7.784 -11.214 -13.474 875 2HD2 ASN 78 2HD2 ASN 78 6.447 -11.804 -14.324 876 H VAL 79 H VAL 79 9.261 -6.522 -13.382 877 HA VAL 79 HA VAL 79 11.203 -5.418 -15.371 878 HB VAL 79 HB VAL 79 10.238 -3.969 -12.898 879 1HG1 VAL 79 1HG1 VAL 79 11.333 -2.100 -13.830 880 2HG1 VAL 79 2HG1 VAL 79 11.391 -2.826 -15.437 881 3HG1 VAL 79 3HG1 VAL 79 12.439 -3.434 -14.156 882 1HG2 VAL 79 1HG2 VAL 79 8.915 -4.377 -15.502 883 2HG2 VAL 79 2HG2 VAL 79 9.117 -2.677 -15.080 884 3HG2 VAL 79 3HG2 VAL 79 8.249 -3.759 -13.992 885 H THR 80 H THR 80 12.843 -6.902 -14.886 886 HA THR 80 HA THR 80 13.659 -7.453 -12.146 887 HB THR 80 HB THR 80 15.146 -7.960 -14.743 888 HG1 THR 80 HG1 THR 80 13.901 -9.630 -14.969 889 1HG2 THR 80 1HG2 THR 80 16.767 -8.363 -13.160 890 2HG2 THR 80 2HG2 THR 80 15.939 -9.918 -13.093 891 3HG2 THR 80 3HG2 THR 80 15.592 -8.682 -11.884 892 H LEU 81 H LEU 81 14.171 -5.424 -11.206 893 HA LEU 81 HA LEU 81 16.093 -3.643 -12.509 894 1HB LEU 81 2HB LEU 81 14.815 -3.621 -9.757 895 2HB LEU 81 1HB LEU 81 15.853 -2.346 -10.383 896 HG LEU 81 HG LEU 81 13.605 -3.158 -12.141 897 1HD1 LEU 81 1HD1 LEU 81 12.733 -3.097 -9.710 898 2HD1 LEU 81 2HD1 LEU 81 11.898 -2.093 -10.894 899 3HD1 LEU 81 3HD1 LEU 81 13.052 -1.364 -9.777 900 1HD2 LEU 81 1HD2 LEU 81 14.808 -1.339 -12.968 901 2HD2 LEU 81 2HD2 LEU 81 15.101 -0.673 -11.361 902 3HD2 LEU 81 3HD2 LEU 81 13.508 -0.520 -12.102 903 HA PRO 82 HA PRO 82 19.573 -5.695 -10.542 904 1HB PRO 82 2HB PRO 82 21.500 -3.916 -11.301 905 2HB PRO 82 1HB PRO 82 20.774 -5.095 -12.404 906 1HG PRO 82 2HG PRO 82 20.405 -2.177 -12.280 907 2HG PRO 82 1HG PRO 82 20.150 -3.291 -13.630 908 1HD PRO 82 2HD PRO 82 18.156 -2.145 -11.937 909 2HD PRO 82 1HD PRO 82 17.925 -3.364 -13.209 910 H GLU 83 H GLU 83 21.562 -4.888 -9.125 911 HA GLU 83 HA GLU 83 20.547 -3.749 -6.731 912 1HB GLU 83 2HB GLU 83 23.128 -4.678 -7.741 913 2HB GLU 83 1HB GLU 83 23.307 -3.302 -6.655 914 1HG GLU 83 2HG GLU 83 21.711 -4.554 -5.076 915 2HG GLU 83 1HG GLU 83 22.010 -5.968 -6.087 916 H ALA 84 H ALA 84 22.253 -1.804 -5.862 917 HA ALA 84 HA ALA 84 22.717 0.335 -7.688 918 1HB ALA 84 1HB ALA 84 20.174 0.529 -6.046 919 2HB ALA 84 2HB ALA 84 20.274 0.466 -7.805 920 3HB ALA 84 3HB ALA 84 20.899 1.868 -6.937 921 H GLU 85 H GLU 85 23.531 2.247 -6.564 922 HA GLU 85 HA GLU 85 23.596 2.495 -3.722 923 1HB GLU 85 2HB GLU 85 25.047 0.393 -4.170 924 2HB GLU 85 1HB GLU 85 26.236 1.526 -4.814 925 1HG GLU 85 2HG GLU 85 26.333 2.718 -2.708 926 2HG GLU 85 1HG GLU 85 25.000 1.763 -2.057 927 H GLU 86 H GLU 86 23.086 4.596 -4.835 928 HA GLU 86 HA GLU 86 25.357 6.347 -4.777 929 1HB GLU 86 2HB GLU 86 25.246 5.056 -7.157 930 2HB GLU 86 1HB GLU 86 24.186 6.421 -7.505 931 1HG GLU 86 2HG GLU 86 26.217 7.384 -8.036 932 2HG GLU 86 1HG GLU 86 26.154 7.778 -6.318 933 H LEU 87 H LEU 87 22.675 6.139 -3.659 934 HA LEU 87 HA LEU 87 21.142 8.310 -4.953 935 1HB LEU 87 2HB LEU 87 20.630 6.392 -2.692 936 2HB LEU 87 1HB LEU 87 19.633 7.838 -2.864 937 HG LEU 87 HG LEU 87 19.572 6.986 -5.413 938 1HD1 LEU 87 1HD1 LEU 87 19.413 4.544 -5.479 939 2HD1 LEU 87 2HD1 LEU 87 19.770 4.453 -3.754 940 3HD1 LEU 87 3HD1 LEU 87 21.003 5.017 -4.881 941 1HD2 LEU 87 1HD2 LEU 87 17.783 5.592 -3.436 942 2HD2 LEU 87 2HD2 LEU 87 17.364 6.339 -4.978 943 3HD2 LEU 87 3HD2 LEU 87 17.727 7.348 -3.578 944 H LYS 88 HN LYS 88 22.522 10.115 -4.576 945 HA LYS 88 HA LYS 88 22.819 10.892 -1.701 946 1HB LYS 88 2HB LYS 88 24.875 10.544 -3.377 947 2HB LYS 88 1HB LYS 88 24.460 12.199 -3.826 948 1HG LYS 88 2HG LYS 88 25.917 12.606 -2.069 949 2HG LYS 88 1HG LYS 88 24.386 12.541 -1.196 950 1HD LYS 88 2HD LYS 88 25.796 9.953 -1.619 951 2HD LYS 88 1HD LYS 88 26.519 11.072 -0.464 952 1HE LYS 88 2HE LYS 88 24.061 11.284 0.444 953 2HE LYS 88 1HE LYS 88 23.828 9.740 -0.376 954 1HZ LYS 88 1HZ LYS 88 24.507 9.204 1.784 955 2HZ LYS 88 2HZ LYS 88 25.724 10.389 1.801 956 3HZ LYS 88 3HZ LYS 88 25.900 9.000 0.839 Start of MODEL 5 1 1H ARG 31 1H ARG 31 2.735 0.420 2.617 2 2H ARG 31 2H ARG 31 4.249 0.781 3.301 3 3H ARG 31 3H ARG 31 3.987 -0.724 2.556 4 HA ARG 31 HA ARG 31 3.648 0.410 0.418 5 1HB ARG 31 2HB ARG 31 3.202 2.619 1.912 6 2HB ARG 31 1HB ARG 31 4.903 2.872 1.520 7 1HG ARG 31 2HG ARG 31 3.792 3.892 -0.284 8 2HG ARG 31 1HG ARG 31 4.192 2.295 -0.916 9 1HD ARG 31 2HD ARG 31 2.008 1.591 -0.906 10 2HD ARG 31 1HD ARG 31 1.600 2.543 0.522 11 HE ARG 31 HE ARG 31 2.043 4.451 -1.432 12 1HH1 ARG 31 1HH2 ARG 31 0.005 1.620 -1.176 13 2HH1 ARG 31 2HH2 ARG 31 -1.211 2.278 -2.214 14 1HH2 ARG 31 1HH1 ARG 31 0.444 5.263 -2.770 15 2HH2 ARG 31 2HH1 ARG 31 -0.967 4.317 -3.108 16 H SER 32 H SER 32 5.337 -1.389 0.771 17 HA SER 32 HA SER 32 8.028 -0.817 1.478 18 1HB SER 32 2HB SER 32 7.300 -2.828 -0.639 19 2HB SER 32 1HB SER 32 8.570 -2.919 0.578 20 HG SER 32 HG SER 32 5.865 -3.478 0.755 21 H ASP 33 H ASP 33 6.238 0.020 -1.377 22 HA ASP 33 HA ASP 33 8.639 0.393 -3.003 23 1HB ASP 33 2HB ASP 33 5.804 1.250 -3.606 24 2HB ASP 33 1HB ASP 33 7.134 1.103 -4.755 25 H ALA 34 H ALA 34 7.766 2.075 -0.439 26 HA ALA 34 HA ALA 34 7.787 4.763 -1.613 27 1HB ALA 34 1HB ALA 34 7.865 4.051 1.322 28 2HB ALA 34 2HB ALA 34 6.362 4.085 0.399 29 3HB ALA 34 3HB ALA 34 7.313 5.557 0.588 30 H GLU 35 H GLU 35 10.040 2.452 -0.459 31 HA GLU 35 HA GLU 35 12.020 4.111 0.710 32 1HB GLU 35 2HB GLU 35 12.521 1.595 -0.899 33 2HB GLU 35 1HB GLU 35 13.556 2.282 0.347 34 1HG GLU 35 2HG GLU 35 10.797 1.811 1.262 35 2HG GLU 35 1HG GLU 35 11.631 0.340 0.768 36 HA PRO 36 HA PRO 36 13.910 4.707 -3.649 37 1HB PRO 36 2HB PRO 36 12.492 3.900 -5.838 38 2HB PRO 36 1HB PRO 36 13.596 2.842 -4.950 39 1HG PRO 36 2HG PRO 36 10.665 2.800 -5.067 40 2HG PRO 36 1HG PRO 36 11.794 1.519 -4.604 41 1HD PRO 36 2HD PRO 36 10.240 3.198 -2.877 42 2HD PRO 36 1HD PRO 36 11.387 1.936 -2.413 43 H HIS 37 H HIS 37 10.353 4.964 -3.861 44 HA HIS 37 HA HIS 37 8.983 6.829 -4.186 45 1HB HIS 37 2HB HIS 37 10.840 8.004 -2.816 46 2HB HIS 37 1HB HIS 37 11.412 8.604 -4.374 47 HD1 HIS 37 HD1 HIS 37 7.824 8.177 -3.162 48 HD2 HIS 37 HD2 HIS 37 10.411 11.189 -4.435 49 HE1 HIS 37 HE1 HIS 37 6.446 10.298 -3.294 50 H TYR 38 H TYR 38 11.100 5.589 -6.399 51 HA TYR 38 HA TYR 38 10.028 7.357 -8.550 52 1HB TYR 38 2HB TYR 38 12.064 6.589 -9.881 53 2HB TYR 38 1HB TYR 38 12.398 7.686 -8.544 54 HD1 TYR 38 HD1 TYR 38 12.496 4.136 -9.629 55 HD2 TYR 38 HD2 TYR 38 13.676 6.986 -6.639 56 HE1 TYR 38 HE1 TYR 38 14.033 2.462 -8.637 57 HE2 TYR 38 HE2 TYR 38 15.210 5.310 -5.646 58 HH TYR 38 HH TYR 38 15.091 2.020 -6.433 59 H LEU 39 H LEU 39 10.821 4.069 -7.535 60 HA LEU 39 HA LEU 39 10.140 2.604 -9.824 61 1HB LEU 39 2HB LEU 39 10.646 2.067 -7.103 62 2HB LEU 39 1HB LEU 39 9.083 1.327 -7.436 63 HG LEU 39 HG LEU 39 10.856 -0.287 -7.914 64 1HD1 LEU 39 1HD1 LEU 39 8.830 -0.048 -9.485 65 2HD1 LEU 39 2HD1 LEU 39 10.222 -0.927 -10.115 66 3HD1 LEU 39 3HD1 LEU 39 9.939 0.743 -10.605 67 1HD2 LEU 39 1HD2 LEU 39 12.029 2.075 -9.295 68 2HD2 LEU 39 2HD2 LEU 39 12.299 0.503 -10.049 69 3HD2 LEU 39 3HD2 LEU 39 12.828 0.788 -8.391 70 HA PRO 40 HA PRO 40 5.504 2.652 -8.469 71 1HB PRO 40 2HB PRO 40 4.749 4.466 -6.563 72 2HB PRO 40 1HB PRO 40 5.230 2.800 -6.205 73 1HG PRO 40 2HG PRO 40 6.748 5.323 -5.832 74 2HG PRO 40 1HG PRO 40 6.794 3.824 -4.897 75 1HD PRO 40 2HD PRO 40 8.697 4.599 -6.766 76 2HD PRO 40 1HD PRO 40 8.458 2.935 -6.191 77 H GLN 41 H GLN 41 7.433 5.483 -8.887 78 HA GLN 41 HA GLN 41 5.290 7.225 -9.830 79 1HB GLN 41 2HB GLN 41 7.364 8.174 -8.888 80 2HB GLN 41 1HB GLN 41 8.310 7.378 -10.142 81 1HG GLN 41 2HG GLN 41 7.989 9.688 -10.795 82 2HG GLN 41 1HG GLN 41 7.009 8.677 -11.858 83 1HE2 GLN 41 1HE2 GLN 41 5.212 10.029 -12.265 84 2HE2 GLN 41 2HE2 GLN 41 4.229 10.690 -11.049 85 H LEU 42 H LEU 42 7.586 4.932 -11.188 86 HA LEU 42 HA LEU 42 7.072 5.615 -13.943 87 1HB LEU 42 2HB LEU 42 8.303 3.164 -12.662 88 2HB LEU 42 1HB LEU 42 8.245 3.441 -14.385 89 HG LEU 42 HG LEU 42 10.107 4.700 -14.317 90 1HD1 LEU 42 1HD1 LEU 42 10.388 6.723 -13.047 91 2HD1 LEU 42 2HD1 LEU 42 9.135 6.253 -11.907 92 3HD1 LEU 42 3HD1 LEU 42 8.706 6.663 -13.566 93 1HD2 LEU 42 1HD2 LEU 42 11.109 3.256 -12.813 94 2HD2 LEU 42 2HD2 LEU 42 9.980 3.654 -11.519 95 3HD2 LEU 42 3HD2 LEU 42 11.264 4.784 -11.944 96 H ARG 43 H ARG 43 5.957 3.032 -11.734 97 HA ARG 43 HA ARG 43 4.390 1.628 -13.658 98 1HB ARG 43 2HB ARG 43 3.246 0.625 -11.759 99 2HB ARG 43 1HB ARG 43 4.954 0.750 -11.392 100 1HG ARG 43 2HG ARG 43 4.511 2.831 -10.130 101 2HG ARG 43 1HG ARG 43 2.788 2.634 -10.438 102 1HD ARG 43 2HD ARG 43 2.975 0.341 -9.357 103 2HD ARG 43 1HD ARG 43 4.594 0.809 -8.837 104 HE ARG 43 HE ARG 43 3.604 2.160 -7.188 105 1HH1 ARG 43 1HH2 ARG 43 1.269 1.441 -9.692 106 2HH1 ARG 43 2HH2 ARG 43 -0.029 2.197 -8.837 107 1HH2 ARG 43 2HH1 ARG 43 1.895 3.127 -6.118 108 2HH2 ARG 43 1HH1 ARG 43 0.319 3.143 -6.836 109 H LYS 44 H LYS 44 3.564 4.365 -11.504 110 HA LYS 44 HA LYS 44 0.835 4.461 -12.321 111 1HB LYS 44 2HB LYS 44 0.757 6.643 -11.283 112 2HB LYS 44 1HB LYS 44 1.744 5.602 -10.275 113 1HG LYS 44 2HG LYS 44 3.750 6.646 -10.970 114 2HG LYS 44 1HG LYS 44 2.990 7.397 -12.365 115 1HD LYS 44 2HD LYS 44 1.779 8.113 -9.766 116 2HD LYS 44 1HD LYS 44 3.431 8.683 -9.999 117 1HE LYS 44 2HE LYS 44 2.078 10.414 -10.890 118 2HE LYS 44 1HE LYS 44 2.634 9.517 -12.302 119 1HZ LYS 44 1HZ LYS 44 0.566 8.319 -12.353 120 2HZ LYS 44 2HZ LYS 44 0.242 9.987 -12.357 121 3HZ LYS 44 3HZ LYS 44 0.035 9.083 -10.934 122 H ASP 45 H ASP 45 3.830 5.716 -13.663 123 HA ASP 45 HA ASP 45 2.686 7.527 -15.544 124 1HB ASP 45 2HB ASP 45 5.277 5.966 -15.571 125 2HB ASP 45 1HB ASP 45 4.852 7.155 -16.792 126 H ILE 46 H ILE 46 3.594 4.064 -15.807 127 HA ILE 46 HA ILE 46 2.792 3.771 -18.533 128 HB ILE 46 HB ILE 46 4.156 2.102 -17.210 129 1HG1 ILE 46 2HG1 ILE 46 1.717 0.968 -18.606 130 2HG1 ILE 46 1HG1 ILE 46 3.108 1.659 -19.441 131 1HG2 ILE 46 1HG2 ILE 46 2.377 0.288 -16.248 132 2HG2 ILE 46 2HG2 ILE 46 1.574 1.783 -15.793 133 3HG2 ILE 46 3HG2 ILE 46 3.213 1.467 -15.246 134 1HD1 ILE 46 1HD1 ILE 46 4.553 -0.050 -18.706 135 2HD1 ILE 46 2HD1 ILE 46 3.061 -0.909 -19.092 136 3HD1 ILE 46 3HD1 ILE 46 3.460 -0.542 -17.413 137 H LEU 47 H LEU 47 0.946 3.865 -15.556 138 HA LEU 47 HA LEU 47 -1.503 2.801 -16.624 139 1HB LEU 47 2HB LEU 47 -0.803 4.523 -14.252 140 2HB LEU 47 1HB LEU 47 -2.484 4.216 -14.670 141 HG LEU 47 HG LEU 47 -0.464 1.996 -14.322 142 1HD1 LEU 47 1HD1 LEU 47 -2.510 2.733 -12.246 143 2HD1 LEU 47 2HD1 LEU 47 -0.944 3.543 -12.259 144 3HD1 LEU 47 3HD1 LEU 47 -1.030 1.793 -12.061 145 1HD2 LEU 47 1HD2 LEU 47 -2.864 0.941 -13.738 146 2HD2 LEU 47 2HD2 LEU 47 -2.257 1.024 -15.392 147 3HD2 LEU 47 3HD2 LEU 47 -3.396 2.237 -14.810 148 H GLU 48 H GLU 48 -0.288 6.113 -16.124 149 HA GLU 48 HA GLU 48 -2.515 7.418 -17.391 150 1HB GLU 48 2HB GLU 48 0.320 8.466 -17.253 151 2HB GLU 48 1HB GLU 48 -1.161 9.407 -17.396 152 1HG GLU 48 2HG GLU 48 -0.447 7.674 -15.024 153 2HG GLU 48 1HG GLU 48 -0.240 9.413 -15.100 154 H VAL 49 H VAL 49 0.597 6.180 -18.478 155 HA VAL 49 HA VAL 49 0.539 7.249 -21.099 156 HB VAL 49 HB VAL 49 1.770 4.648 -20.119 157 1HG1 VAL 49 1HG1 VAL 49 2.564 6.241 -22.566 158 2HG1 VAL 49 2HG1 VAL 49 1.419 4.904 -22.651 159 3HG1 VAL 49 3HG1 VAL 49 3.073 4.614 -22.118 160 1HG2 VAL 49 1HG2 VAL 49 3.444 7.009 -20.749 161 2HG2 VAL 49 2HG2 VAL 49 3.558 5.875 -19.404 162 3HG2 VAL 49 3HG2 VAL 49 2.393 7.198 -19.346 163 H ILE 50 H ILE 50 -0.479 3.990 -19.955 164 HA ILE 50 HA ILE 50 -1.668 3.124 -22.385 165 HB ILE 50 HB ILE 50 -2.597 2.503 -19.562 166 1HG1 ILE 50 2HG1 ILE 50 -0.853 0.694 -21.184 167 2HG1 ILE 50 1HG1 ILE 50 -0.101 2.084 -20.401 168 1HG2 ILE 50 1HG2 ILE 50 -3.515 0.467 -20.557 169 2HG2 ILE 50 2HG2 ILE 50 -2.913 0.944 -22.144 170 3HG2 ILE 50 3HG2 ILE 50 -4.194 1.876 -21.369 171 1HD1 ILE 50 1HD1 ILE 50 -1.018 1.376 -18.231 172 2HD1 ILE 50 2HD1 ILE 50 -0.045 0.087 -18.939 173 3HD1 ILE 50 3HD1 ILE 50 -1.804 -0.001 -19.005 174 H CYS 51 H CYS 51 -2.731 5.474 -20.043 175 HA CYS 51 HA CYS 51 -5.495 5.536 -20.882 176 1HB CYS 51 2HB CYS 51 -4.459 6.402 -18.660 177 2HB CYS 51 1HB CYS 51 -4.031 7.837 -19.593 178 HG CYS 51 HG CYS 51 -7.005 6.960 -19.690 179 H LYS 52 H LYS 52 -2.608 7.494 -21.591 180 HA LYS 52 HA LYS 52 -3.807 9.403 -23.306 181 1HB LYS 52 2HB LYS 52 -1.035 8.208 -23.581 182 2HB LYS 52 1HB LYS 52 -1.577 9.739 -24.260 183 1HG LYS 52 2HG LYS 52 -1.666 10.785 -22.172 184 2HG LYS 52 1HG LYS 52 -1.793 9.258 -21.300 185 1HD LYS 52 2HD LYS 52 0.436 9.622 -20.913 186 2HD LYS 52 1HD LYS 52 0.604 8.891 -22.509 187 1HE LYS 52 2HE LYS 52 1.860 10.897 -22.643 188 2HE LYS 52 1HE LYS 52 0.332 11.279 -23.437 189 1HZ LYS 52 1HZ LYS 52 1.177 11.989 -20.687 190 2HZ LYS 52 2HZ LYS 52 -0.433 12.116 -21.217 191 3HZ LYS 52 3HZ LYS 52 0.785 13.040 -21.960 192 H TYR 53 H TYR 53 -2.763 6.104 -23.940 193 HA TYR 53 HA TYR 53 -3.469 6.394 -26.806 194 1HB TYR 53 2HB TYR 53 -2.070 4.164 -25.297 195 2HB TYR 53 1HB TYR 53 -2.356 4.190 -27.026 196 HD1 TYR 53 HD1 TYR 53 -0.613 4.930 -28.391 197 HD2 TYR 53 HD2 TYR 53 -0.879 6.406 -24.374 198 HE1 TYR 53 HE1 TYR 53 1.515 6.171 -28.693 199 HE2 TYR 53 HE2 TYR 53 1.232 7.645 -24.672 200 HH TYR 53 HH TYR 53 3.393 7.176 -26.440 201 H VAL 54 H VAL 54 -4.743 5.169 -23.834 202 HA VAL 54 HA VAL 54 -7.030 3.991 -25.280 203 HB VAL 54 HB VAL 54 -5.769 2.258 -23.154 204 1HG1 VAL 54 1HG1 VAL 54 -8.123 2.031 -24.316 205 2HG1 VAL 54 2HG1 VAL 54 -7.137 0.595 -24.039 206 3HG1 VAL 54 3HG1 VAL 54 -7.182 1.339 -25.637 207 1HG2 VAL 54 1HG2 VAL 54 -3.958 2.624 -24.797 208 2HG2 VAL 54 2HG2 VAL 54 -5.057 2.198 -26.109 209 3HG2 VAL 54 3HG2 VAL 54 -4.588 0.981 -24.922 210 H GLN 55 H GLN 55 -7.616 2.656 -22.427 211 HA GLN 55 HA GLN 55 -7.812 4.884 -20.618 212 1HB GLN 55 2HB GLN 55 -9.831 4.699 -22.642 213 2HB GLN 55 1HB GLN 55 -10.572 4.319 -21.089 214 1HG GLN 55 2HG GLN 55 -9.587 6.396 -20.139 215 2HG GLN 55 1HG GLN 55 -8.935 6.789 -21.730 216 1HE2 GLN 55 1HE2 GLN 55 -11.012 8.296 -20.174 217 2HE2 GLN 55 2HE2 GLN 55 -12.382 8.348 -21.174 218 H ILE 56 H ILE 56 -7.361 3.664 -18.877 219 HA ILE 56 HA ILE 56 -9.231 1.458 -18.176 220 HB ILE 56 HB ILE 56 -7.126 0.244 -17.252 221 1HG1 ILE 56 2HG1 ILE 56 -5.614 1.356 -19.540 222 2HG1 ILE 56 1HG1 ILE 56 -5.832 2.475 -18.196 223 1HG2 ILE 56 1HG2 ILE 56 -8.645 -0.105 -19.458 224 2HG2 ILE 56 2HG2 ILE 56 -7.288 -1.153 -19.048 225 3HG2 ILE 56 3HG2 ILE 56 -7.074 0.151 -20.217 226 1HD1 ILE 56 1HD1 ILE 56 -4.505 -0.236 -18.180 227 2HD1 ILE 56 2HD1 ILE 56 -5.076 0.515 -16.691 228 3HD1 ILE 56 3HD1 ILE 56 -3.838 1.312 -17.662 229 H ASP 57 H ASP 57 -8.906 0.857 -15.801 230 HA ASP 57 HA ASP 57 -8.401 3.358 -14.261 231 1HB ASP 57 2HB ASP 57 -10.148 0.956 -13.859 232 2HB ASP 57 1HB ASP 57 -9.585 1.834 -12.438 233 HA PRO 58 HA PRO 58 -4.896 1.546 -12.253 234 1HB PRO 58 2HB PRO 58 -5.135 2.459 -9.686 235 2HB PRO 58 1HB PRO 58 -4.647 3.487 -11.043 236 1HG PRO 58 2HG PRO 58 -7.258 3.336 -9.631 237 2HG PRO 58 1HG PRO 58 -6.466 4.721 -10.400 238 1HD PRO 58 2HD PRO 58 -8.563 3.258 -11.513 239 2HD PRO 58 1HD PRO 58 -7.451 4.301 -12.425 240 H GLU 59 H GLU 59 -8.034 1.021 -10.767 241 HA GLU 59 HA GLU 59 -7.225 -1.133 -9.022 242 1HB GLU 59 2HB GLU 59 -9.927 -0.524 -10.266 243 2HB GLU 59 1HB GLU 59 -9.646 -1.663 -8.948 244 1HG GLU 59 2HG GLU 59 -8.428 0.496 -7.902 245 2HG GLU 59 1HG GLU 59 -9.614 1.314 -8.919 246 H MET 60 H MET 60 -7.522 -0.885 -12.442 247 HA MET 60 HA MET 60 -8.060 -3.765 -12.815 248 1HB MET 60 2HB MET 60 -7.795 -1.379 -14.637 249 2HB MET 60 1HB MET 60 -7.720 -3.012 -15.289 250 1HG MET 60 2HG MET 60 -9.946 -2.647 -13.409 251 2HG MET 60 1HG MET 60 -10.045 -1.566 -14.797 252 1HE MET 60 1HE MET 60 -10.970 -2.473 -17.251 253 2HE MET 60 2HE MET 60 -9.913 -3.758 -17.831 254 3HE MET 60 3HE MET 60 -9.218 -2.353 -17.028 255 H VAL 61 H VAL 61 -5.345 -1.938 -12.088 256 HA VAL 61 HA VAL 61 -3.580 -3.796 -13.619 257 HB VAL 61 HB VAL 61 -2.939 -0.996 -12.641 258 1HG1 VAL 61 1HG1 VAL 61 -1.128 -2.916 -13.021 259 2HG1 VAL 61 2HG1 VAL 61 -0.825 -1.260 -13.545 260 3HG1 VAL 61 3HG1 VAL 61 -1.360 -2.470 -14.711 261 1HG2 VAL 61 1HG2 VAL 61 -4.109 -2.067 -15.154 262 2HG2 VAL 61 2HG2 VAL 61 -2.817 -0.884 -15.353 263 3HG2 VAL 61 3HG2 VAL 61 -4.262 -0.464 -14.434 264 H THR 62 H THR 62 -2.177 -5.025 -12.414 265 HA THR 62 HA THR 62 -2.209 -4.636 -9.481 266 HB THR 62 HB THR 62 -1.119 -7.046 -10.929 267 HG1 THR 62 HG1 THR 62 -3.173 -7.916 -10.810 268 1HG2 THR 62 1HG2 THR 62 -0.558 -7.014 -8.612 269 2HG2 THR 62 2HG2 THR 62 -1.931 -8.112 -8.757 270 3HG2 THR 62 3HG2 THR 62 -2.172 -6.471 -8.156 271 H VAL 63 H VAL 63 -0.123 -5.022 -8.329 272 HA VAL 63 HA VAL 63 2.318 -4.577 -9.955 273 HB VAL 63 HB VAL 63 1.558 -2.818 -7.609 274 1HG1 VAL 63 1HG1 VAL 63 3.957 -3.084 -9.393 275 2HG1 VAL 63 2HG1 VAL 63 3.888 -2.801 -7.654 276 3HG1 VAL 63 3HG1 VAL 63 3.529 -1.489 -8.775 277 1HG2 VAL 63 1HG2 VAL 63 1.531 -2.299 -10.594 278 2HG2 VAL 63 2HG2 VAL 63 1.392 -1.036 -9.370 279 3HG2 VAL 63 3HG2 VAL 63 0.146 -2.276 -9.504 280 H GLN 64 H GLN 64 3.464 -6.358 -9.294 281 HA GLN 64 HA GLN 64 3.657 -6.811 -6.348 282 1HB GLN 64 2HB GLN 64 3.943 -9.233 -6.860 283 2HB GLN 64 1HB GLN 64 2.370 -8.620 -7.369 284 1HG GLN 64 2HG GLN 64 4.246 -8.245 -9.523 285 2HG GLN 64 1HG GLN 64 4.347 -9.913 -8.972 286 1HE2 GLN 64 1HE2 GLN 64 1.707 -7.505 -9.550 287 2HE2 GLN 64 2HE2 GLN 64 0.688 -8.605 -10.344 288 H LEU 65 H LEU 65 5.725 -6.801 -5.549 289 HA LEU 65 HA LEU 65 7.948 -6.720 -7.521 290 1HB LEU 65 2HB LEU 65 9.206 -5.641 -5.664 291 2HB LEU 65 1HB LEU 65 7.792 -4.719 -6.154 292 HG LEU 65 HG LEU 65 7.268 -6.722 -4.046 293 1HD1 LEU 65 1HD1 LEU 65 9.633 -5.705 -3.603 294 2HD1 LEU 65 2HD1 LEU 65 8.453 -5.715 -2.292 295 3HD1 LEU 65 3HD1 LEU 65 8.742 -4.235 -3.207 296 1HD2 LEU 65 1HD2 LEU 65 5.909 -4.647 -5.066 297 2HD2 LEU 65 2HD2 LEU 65 6.747 -3.798 -3.768 298 3HD2 LEU 65 3HD2 LEU 65 5.700 -5.165 -3.394 299 H GLU 66 H GLU 66 9.893 -7.890 -7.019 300 HA GLU 66 HA GLU 66 9.762 -9.883 -4.838 301 1HB GLU 66 2HB GLU 66 10.019 -10.599 -7.776 302 2HB GLU 66 1HB GLU 66 10.396 -11.711 -6.460 303 1HG GLU 66 2HG GLU 66 7.715 -10.352 -6.862 304 2HG GLU 66 1HG GLU 66 8.082 -12.009 -7.340 305 H GLN 67 H GLN 67 11.979 -11.274 -5.156 306 HA GLN 67 HA GLN 67 14.169 -9.476 -6.039 307 1HB GLN 67 2HB GLN 67 13.838 -10.541 -3.221 308 2HB GLN 67 1HB GLN 67 15.349 -9.876 -3.840 309 1HG GLN 67 2HG GLN 67 14.500 -7.918 -3.016 310 2HG GLN 67 1HG GLN 67 13.644 -7.895 -4.557 311 1HE2 GLN 67 1HE2 GLN 67 12.704 -6.774 -1.951 312 2HE2 GLN 67 2HE2 GLN 67 11.246 -7.571 -1.604 313 H LYS 68 H LYS 68 16.167 -10.615 -6.386 314 HA LYS 68 HA LYS 68 15.816 -13.576 -6.581 315 1HB LYS 68 2HB LYS 68 17.437 -11.604 -8.190 316 2HB LYS 68 1HB LYS 68 17.786 -13.329 -8.231 317 1HG LYS 68 2HG LYS 68 16.034 -13.738 -9.591 318 2HG LYS 68 1HG LYS 68 14.933 -12.839 -8.547 319 1HD LYS 68 2HD LYS 68 15.010 -11.779 -10.744 320 2HD LYS 68 1HD LYS 68 15.765 -10.715 -9.557 321 1HE LYS 68 2HE LYS 68 17.242 -10.722 -11.428 322 2HE LYS 68 1HE LYS 68 17.991 -11.784 -10.236 323 1HZ LYS 68 1HZ LYS 68 16.348 -12.622 -12.562 324 2HZ LYS 68 2HZ LYS 68 16.949 -13.676 -11.373 325 3HZ LYS 68 3HZ LYS 68 18.021 -12.829 -12.383 326 H ASP 69 H ASP 69 17.926 -14.810 -6.299 327 HA ASP 69 HA ASP 69 19.196 -13.955 -3.825 328 1HB ASP 69 2HB ASP 69 20.429 -16.124 -4.037 329 2HB ASP 69 1HB ASP 69 18.678 -16.314 -4.119 330 H GLY 70 H GLY 70 19.919 -11.965 -5.347 331 1HA GLY 70 2HA GLY 70 22.795 -12.216 -5.625 332 2HA GLY 70 1HA GLY 70 21.997 -12.097 -7.193 333 H ASP 71 H ASP 71 20.771 -10.519 -4.305 334 HA ASP 71 HA ASP 71 20.437 -8.259 -3.803 335 1HB ASP 71 2HB ASP 71 23.080 -8.199 -5.253 336 2HB ASP 71 1HB ASP 71 22.309 -6.704 -4.722 337 H ILE 72 H ILE 72 18.982 -9.298 -5.925 338 HA ILE 72 HA ILE 72 18.817 -6.940 -7.756 339 HB ILE 72 HB ILE 72 18.089 -9.769 -8.533 340 1HG1 ILE 72 2HG1 ILE 72 20.729 -8.300 -8.831 341 2HG1 ILE 72 1HG1 ILE 72 20.450 -9.836 -8.026 342 1HG2 ILE 72 1HG2 ILE 72 18.789 -7.348 -10.218 343 2HG2 ILE 72 2HG2 ILE 72 17.138 -7.773 -9.769 344 3HG2 ILE 72 3HG2 ILE 72 18.088 -8.868 -10.775 345 1HD1 ILE 72 1HD1 ILE 72 21.421 -10.339 -10.173 346 2HD1 ILE 72 2HD1 ILE 72 20.278 -9.280 -11.000 347 3HD1 ILE 72 3HD1 ILE 72 19.715 -10.779 -10.260 348 H SER 73 H SER 73 16.655 -6.352 -8.373 349 HA SER 73 HA SER 73 14.547 -7.528 -6.598 350 1HB SER 73 2HB SER 73 14.414 -4.762 -7.777 351 2HB SER 73 1HB SER 73 13.569 -5.400 -6.373 352 HG SER 73 HG SER 73 15.288 -5.059 -5.179 353 H ILE 74 H ILE 74 12.293 -7.114 -7.552 354 HA ILE 74 HA ILE 74 12.227 -7.300 -10.522 355 HB ILE 74 HB ILE 74 10.888 -9.264 -8.662 356 1HG1 ILE 74 2HG1 ILE 74 13.356 -9.569 -8.744 357 2HG1 ILE 74 1HG1 ILE 74 12.488 -10.926 -9.451 358 1HG2 ILE 74 1HG2 ILE 74 10.543 -10.504 -10.881 359 2HG2 ILE 74 2HG2 ILE 74 10.972 -8.983 -11.663 360 3HG2 ILE 74 3HG2 ILE 74 9.557 -9.066 -10.614 361 1HD1 ILE 74 1HD1 ILE 74 13.536 -10.622 -11.413 362 2HD1 ILE 74 2HD1 ILE 74 14.490 -9.339 -10.672 363 3HD1 ILE 74 3HD1 ILE 74 12.977 -8.953 -11.491 364 H LEU 75 H LEU 75 9.932 -7.073 -11.298 365 HA LEU 75 HA LEU 75 7.909 -6.244 -9.403 366 1HB LEU 75 2HB LEU 75 9.469 -4.206 -9.753 367 2HB LEU 75 1HB LEU 75 8.751 -4.117 -11.361 368 HG LEU 75 HG LEU 75 6.863 -4.412 -9.083 369 1HD1 LEU 75 1HD1 LEU 75 8.773 -2.163 -9.373 370 2HD1 LEU 75 2HD1 LEU 75 7.885 -2.710 -7.952 371 3HD1 LEU 75 3HD1 LEU 75 7.085 -1.701 -9.157 372 1HD2 LEU 75 1HD2 LEU 75 6.996 -3.011 -11.747 373 2HD2 LEU 75 2HD2 LEU 75 5.769 -2.557 -10.566 374 3HD2 LEU 75 3HD2 LEU 75 5.830 -4.207 -11.185 375 H GLU 76 H GLU 76 6.417 -7.577 -10.310 376 HA GLU 76 HA GLU 76 5.999 -7.461 -13.256 377 1HB GLU 76 2HB GLU 76 4.817 -9.415 -11.267 378 2HB GLU 76 1HB GLU 76 4.822 -9.560 -13.025 379 1HG GLU 76 2HG GLU 76 7.353 -9.567 -12.920 380 2HG GLU 76 1HG GLU 76 7.211 -9.686 -11.167 381 H LEU 77 H LEU 77 4.693 -5.631 -13.527 382 HA LEU 77 HA LEU 77 2.317 -5.358 -11.790 383 1HB LEU 77 2HB LEU 77 1.915 -3.251 -13.093 384 2HB LEU 77 1HB LEU 77 3.469 -3.285 -12.267 385 HG LEU 77 HG LEU 77 3.482 -4.373 -15.018 386 1HD1 LEU 77 1HD1 LEU 77 2.590 -1.607 -14.377 387 2HD1 LEU 77 2HD1 LEU 77 2.204 -2.619 -15.769 388 3HD1 LEU 77 3HD1 LEU 77 3.757 -1.789 -15.687 389 1HD2 LEU 77 1HD2 LEU 77 5.436 -2.427 -14.763 390 2HD2 LEU 77 2HD2 LEU 77 5.660 -4.138 -14.407 391 3HD2 LEU 77 3HD2 LEU 77 5.260 -3.014 -13.109 392 H ASN 78 H ASN 78 0.380 -6.164 -12.359 393 HA ASN 78 HA ASN 78 0.056 -7.378 -15.022 394 1HB ASN 78 2HB ASN 78 -1.964 -7.274 -12.778 395 2HB ASN 78 1HB ASN 78 -1.888 -8.411 -14.109 396 1HD2 ASN 78 1HD2 ASN 78 1.123 -8.732 -13.811 397 2HD2 ASN 78 2HD2 ASN 78 1.322 -9.696 -12.431 398 H VAL 79 H VAL 79 -1.363 -6.587 -16.567 399 HA VAL 79 HA VAL 79 -2.848 -4.090 -15.853 400 HB VAL 79 HB VAL 79 -1.635 -4.646 -18.569 401 1HG1 VAL 79 1HG1 VAL 79 -2.740 -2.185 -17.187 402 2HG1 VAL 79 2HG1 VAL 79 -3.453 -3.035 -18.557 403 3HG1 VAL 79 3HG1 VAL 79 -1.933 -2.163 -18.756 404 1HG2 VAL 79 1HG2 VAL 79 0.356 -4.361 -17.460 405 2HG2 VAL 79 2HG2 VAL 79 -0.412 -3.588 -16.073 406 3HG2 VAL 79 3HG2 VAL 79 -0.095 -2.658 -17.537 407 H THR 80 H THR 80 -4.928 -4.804 -15.763 408 HA THR 80 HA THR 80 -5.892 -6.756 -17.772 409 HB THR 80 HB THR 80 -7.303 -5.548 -15.371 410 HG1 THR 80 HG1 THR 80 -6.890 -7.691 -14.538 411 1HG2 THR 80 1HG2 THR 80 -9.136 -6.404 -16.386 412 2HG2 THR 80 2HG2 THR 80 -8.472 -7.984 -15.971 413 3HG2 THR 80 3HG2 THR 80 -8.171 -7.292 -17.565 414 H LEU 81 H LEU 81 -6.402 -5.768 -19.675 415 HA LEU 81 HA LEU 81 -7.626 -3.092 -19.691 416 1HB LEU 81 2HB LEU 81 -7.039 -4.950 -22.018 417 2HB LEU 81 1HB LEU 81 -7.346 -3.221 -22.092 418 HG LEU 81 HG LEU 81 -5.003 -4.473 -20.634 419 1HD1 LEU 81 1HD1 LEU 81 -5.086 -3.030 -23.304 420 2HD1 LEU 81 2HD1 LEU 81 -4.867 -4.768 -23.098 421 3HD1 LEU 81 3HD1 LEU 81 -3.642 -3.649 -22.501 422 1HD2 LEU 81 1HD2 LEU 81 -5.637 -1.595 -21.376 423 2HD2 LEU 81 2HD2 LEU 81 -4.186 -2.148 -20.539 424 3HD2 LEU 81 3HD2 LEU 81 -5.760 -2.281 -19.755 425 HA PRO 82 HA PRO 82 -11.705 -4.948 -19.950 426 1HB PRO 82 2HB PRO 82 -13.109 -2.658 -20.443 427 2HB PRO 82 1HB PRO 82 -12.454 -3.076 -18.853 428 1HG PRO 82 2HG PRO 82 -11.554 -1.026 -20.767 429 2HG PRO 82 1HG PRO 82 -11.311 -1.121 -19.018 430 1HD PRO 82 2HD PRO 82 -9.420 -1.763 -21.053 431 2HD PRO 82 1HD PRO 82 -9.240 -1.997 -19.302 432 H GLU 83 H GLU 83 -13.734 -4.571 -21.536 433 HA GLU 83 HA GLU 83 -12.985 -5.498 -24.107 434 1HB GLU 83 2HB GLU 83 -15.478 -4.584 -22.800 435 2HB GLU 83 1HB GLU 83 -15.469 -4.469 -24.558 436 1HG GLU 83 2HG GLU 83 -14.809 -6.834 -24.722 437 2HG GLU 83 1HG GLU 83 -14.801 -6.957 -22.963 438 H ALA 84 H ALA 84 -13.575 -4.355 -26.194 439 HA ALA 84 HA ALA 84 -13.778 -1.537 -26.411 440 1HB ALA 84 1HB ALA 84 -10.975 -2.651 -26.357 441 2HB ALA 84 2HB ALA 84 -11.605 -1.219 -25.542 442 3HB ALA 84 3HB ALA 84 -11.350 -1.200 -27.287 443 H GLU 85 H GLU 85 -14.743 -1.426 -28.381 444 HA GLU 85 HA GLU 85 -13.513 -2.317 -30.795 445 1HB GLU 85 2HB GLU 85 -14.367 -4.504 -29.584 446 2HB GLU 85 1HB GLU 85 -15.934 -3.991 -30.209 447 1HG GLU 85 2HG GLU 85 -14.781 -3.753 -32.485 448 2HG GLU 85 1HG GLU 85 -13.431 -4.641 -31.775 449 H GLU 86 H GLU 86 -14.751 0.056 -29.945 450 HA GLU 86 HA GLU 86 -16.286 1.664 -30.693 451 1HB GLU 86 2HB GLU 86 -15.465 0.419 -32.919 452 2HB GLU 86 1HB GLU 86 -17.157 -0.077 -32.956 453 1HG GLU 86 2HG GLU 86 -17.929 2.077 -33.256 454 2HG GLU 86 1HG GLU 86 -16.567 2.796 -32.395 455 H LEU 87 H LEU 87 -17.192 -0.290 -28.788 456 HA LEU 87 HA LEU 87 -20.025 -0.726 -29.631 457 1HB LEU 87 2HB LEU 87 -18.123 -2.277 -28.052 458 2HB LEU 87 1HB LEU 87 -19.617 -2.004 -27.160 459 HG LEU 87 HG LEU 87 -19.759 -4.073 -28.489 460 1HD1 LEU 87 1HD1 LEU 87 -21.930 -3.710 -29.135 461 2HD1 LEU 87 2HD1 LEU 87 -21.529 -2.246 -30.034 462 3HD1 LEU 87 3HD1 LEU 87 -21.676 -2.190 -28.278 463 1HD2 LEU 87 1HD2 LEU 87 -19.367 -2.242 -30.878 464 2HD2 LEU 87 2HD2 LEU 87 -19.710 -3.971 -30.947 465 3HD2 LEU 87 3HD2 LEU 87 -18.181 -3.401 -30.279 466 H LYS 88 HN LYS 88 -21.712 -0.085 -28.160 467 HA LYS 88 HA LYS 88 -20.894 2.159 -26.369 468 1HB LYS 88 2HB LYS 88 -23.619 1.531 -27.547 469 2HB LYS 88 1HB LYS 88 -23.192 2.971 -26.621 470 1HG LYS 88 2HG LYS 88 -21.506 2.351 -28.997 471 2HG LYS 88 1HG LYS 88 -23.142 2.930 -29.309 472 1HD LYS 88 2HD LYS 88 -22.695 4.854 -27.764 473 2HD LYS 88 1HD LYS 88 -21.023 4.307 -27.635 474 1HE LYS 88 2HE LYS 88 -20.608 4.702 -29.949 475 2HE LYS 88 1HE LYS 88 -22.327 4.878 -30.301 476 1HZ LYS 88 1HZ LYS 88 -21.593 7.048 -30.198 477 2HZ LYS 88 2HZ LYS 88 -20.518 6.746 -28.917 478 3HZ LYS 88 3HZ LYS 88 -22.191 6.807 -28.629 479 1H ARG 31 1H ARG 31 5.381 -11.720 -33.244 480 2H ARG 31 2H ARG 31 3.936 -11.520 -34.113 481 3H ARG 31 3H ARG 31 3.924 -12.313 -32.611 482 HA ARG 31 HA ARG 31 4.642 -10.243 -31.529 483 1HB ARG 31 2HB ARG 31 5.443 -9.490 -34.000 484 2HB ARG 31 1HB ARG 31 3.866 -8.703 -33.952 485 1HG ARG 31 2HG ARG 31 5.290 -7.081 -33.018 486 2HG ARG 31 1HG ARG 31 4.605 -7.872 -31.597 487 1HD ARG 31 2HD ARG 31 6.584 -8.891 -31.040 488 2HD ARG 31 1HD ARG 31 7.084 -9.074 -32.721 489 HE ARG 31 HE ARG 31 7.193 -6.341 -32.297 490 1HH1 ARG 31 1HH2 ARG 31 8.562 -9.134 -30.698 491 2HH1 ARG 31 2HH2 ARG 31 9.958 -8.268 -30.162 492 1HH2 ARG 31 1HH1 ARG 31 9.016 -5.259 -31.583 493 2HH2 ARG 31 2HH1 ARG 31 10.216 -6.098 -30.656 494 H SER 32 H SER 32 2.590 -11.498 -30.876 495 HA SER 32 HA SER 32 0.040 -10.897 -31.971 496 1HB SER 32 2HB SER 32 0.469 -11.378 -29.033 497 2HB SER 32 1HB SER 32 -0.873 -11.896 -30.049 498 HG SER 32 HG SER 32 1.634 -13.010 -29.673 499 H ASP 33 H ASP 33 2.160 -8.946 -30.034 500 HA ASP 33 HA ASP 33 0.011 -7.189 -29.112 501 1HB ASP 33 2HB ASP 33 2.998 -6.768 -28.930 502 2HB ASP 33 1HB ASP 33 1.751 -5.925 -28.010 503 H ALA 34 H ALA 34 1.042 -7.567 -32.105 504 HA ALA 34 HA ALA 34 1.673 -4.774 -32.740 505 1HB ALA 34 1HB ALA 34 1.242 -7.037 -34.693 506 2HB ALA 34 2HB ALA 34 2.779 -6.788 -33.863 507 3HB ALA 34 3HB ALA 34 2.150 -5.547 -34.947 508 H GLU 35 H GLU 35 -1.094 -6.779 -32.470 509 HA GLU 35 HA GLU 35 -2.754 -5.750 -34.527 510 1HB GLU 35 2HB GLU 35 -3.664 -6.665 -31.788 511 2HB GLU 35 1HB GLU 35 -4.612 -6.641 -33.268 512 1HG GLU 35 2HG GLU 35 -2.088 -8.130 -33.535 513 2HG GLU 35 1HG GLU 35 -3.179 -8.813 -32.332 514 HA PRO 36 HA PRO 36 -4.166 -2.324 -31.495 515 1HB PRO 36 2HB PRO 36 -2.802 -1.969 -29.158 516 2HB PRO 36 1HB PRO 36 -4.166 -3.083 -29.329 517 1HG PRO 36 2HG PRO 36 -1.310 -3.669 -29.003 518 2HG PRO 36 1HG PRO 36 -2.714 -4.702 -28.703 519 1HD PRO 36 2HD PRO 36 -0.963 -4.735 -30.974 520 2HD PRO 36 1HD PRO 36 -2.380 -5.749 -30.687 521 H HIS 37 H HIS 37 -0.630 -2.752 -31.225 522 HA HIS 37 HA HIS 37 1.123 -1.396 -31.961 523 1HB HIS 37 2HB HIS 37 -0.533 -0.889 -33.887 524 2HB HIS 37 1HB HIS 37 -0.855 0.615 -33.025 525 HD1 HIS 37 HD1 HIS 37 2.468 -1.189 -33.497 526 HD2 HIS 37 HD2 HIS 37 0.674 2.458 -34.422 527 HE1 HIS 37 HE1 HIS 37 4.272 0.252 -34.540 528 H TYR 38 H TYR 38 -1.049 -0.615 -29.598 529 HA TYR 38 HA TYR 38 0.521 1.803 -28.827 530 1HB TYR 38 2HB TYR 38 -1.534 2.415 -27.446 531 2HB TYR 38 1HB TYR 38 -1.721 2.557 -29.192 532 HD1 TYR 38 HD1 TYR 38 -2.494 0.443 -26.239 533 HD2 TYR 38 HD2 TYR 38 -3.246 1.162 -30.407 534 HE1 TYR 38 HE1 TYR 38 -4.416 -1.122 -26.163 535 HE2 TYR 38 HE2 TYR 38 -5.166 -0.404 -30.330 536 HH TYR 38 HH TYR 38 -5.695 -2.538 -27.756 537 H LEU 39 H LEU 39 -1.020 -1.194 -27.769 538 HA LEU 39 HA LEU 39 -0.509 -1.138 -25.016 539 1HB LEU 39 2HB LEU 39 -1.305 -3.049 -26.930 540 2HB LEU 39 1HB LEU 39 0.085 -3.762 -26.117 541 HG LEU 39 HG LEU 39 -1.953 -4.367 -24.908 542 1HD1 LEU 39 1HD1 LEU 39 0.183 -3.686 -23.639 543 2HD1 LEU 39 2HD1 LEU 39 -1.317 -3.708 -22.713 544 3HD1 LEU 39 3HD1 LEU 39 -0.653 -2.176 -23.280 545 1HD2 LEU 39 1HD2 LEU 39 -2.499 -1.463 -25.264 546 2HD2 LEU 39 2HD2 LEU 39 -3.044 -2.190 -23.753 547 3HD2 LEU 39 3HD2 LEU 39 -3.613 -2.829 -25.294 548 HA PRO 40 HA PRO 40 3.927 -2.878 -25.811 549 1HB PRO 40 2HB PRO 40 4.914 -2.742 -28.360 550 2HB PRO 40 1HB PRO 40 4.068 -4.151 -27.703 551 1HG PRO 40 2HG PRO 40 3.098 -2.078 -29.594 552 2HG PRO 40 1HG PRO 40 2.671 -3.789 -29.470 553 1HD PRO 40 2HD PRO 40 1.108 -1.683 -28.552 554 2HD PRO 40 1HD PRO 40 0.949 -3.370 -28.021 555 H GLN 41 H GLN 41 2.676 -0.014 -27.272 556 HA GLN 41 HA GLN 41 5.200 1.446 -27.384 557 1HB GLN 41 2HB GLN 41 3.314 2.074 -28.846 558 2HB GLN 41 1HB GLN 41 2.309 2.390 -27.434 559 1HG GLN 41 2HG GLN 41 3.159 4.509 -28.242 560 2HG GLN 41 1HG GLN 41 3.973 4.136 -26.722 561 1HE2 GLN 41 1HE2 GLN 41 6.040 5.052 -27.062 562 2HE2 GLN 41 2HE2 GLN 41 7.054 4.645 -28.361 563 H LEU 42 H LEU 42 2.570 0.940 -25.103 564 HA LEU 42 HA LEU 42 3.407 2.982 -23.248 565 1HB LEU 42 2HB LEU 42 1.598 0.577 -22.927 566 2HB LEU 42 1HB LEU 42 1.833 1.793 -21.696 567 HG LEU 42 HG LEU 42 0.280 3.131 -22.621 568 1HD1 LEU 42 1HD1 LEU 42 0.348 4.024 -24.854 569 2HD1 LEU 42 2HD1 LEU 42 1.391 2.723 -25.408 570 3HD1 LEU 42 3HD1 LEU 42 2.010 3.927 -24.282 571 1HD2 LEU 42 1HD2 LEU 42 -1.107 1.333 -23.058 572 2HD2 LEU 42 2HD2 LEU 42 -0.012 0.643 -24.254 573 3HD2 LEU 42 3HD2 LEU 42 -0.994 2.048 -24.665 574 H ARG 43 H ARG 43 3.793 -0.569 -23.433 575 HA ARG 43 HA ARG 43 5.155 -0.867 -20.947 576 1HB ARG 43 2HB ARG 43 5.926 -3.008 -21.808 577 2HB ARG 43 1HB ARG 43 4.262 -2.764 -22.298 578 1HG ARG 43 2HG ARG 43 5.048 -1.974 -24.507 579 2HG ARG 43 1HG ARG 43 6.707 -2.311 -24.022 580 1HD ARG 43 2HD ARG 43 5.964 -4.698 -23.560 581 2HD ARG 43 1HD ARG 43 4.449 -4.295 -24.367 582 HE ARG 43 HE ARG 43 5.585 -4.418 -26.421 583 1HH1 ARG 43 1HH2 ARG 43 7.882 -4.004 -23.815 584 2HH1 ARG 43 2HH2 ARG 43 9.249 -4.190 -24.858 585 1HH2 ARG 43 2HH1 ARG 43 7.383 -4.654 -27.731 586 2HH2 ARG 43 1HH1 ARG 43 8.972 -4.554 -27.051 587 H LYS 44 H LYS 44 6.391 -0.169 -24.234 588 HA LYS 44 HA LYS 44 9.130 -0.192 -23.438 589 1HB LYS 44 2HB LYS 44 9.596 0.886 -25.552 590 2HB LYS 44 1HB LYS 44 8.343 -0.311 -25.823 591 1HG LYS 44 2HG LYS 44 6.657 1.338 -26.016 592 2HG LYS 44 1HG LYS 44 7.654 2.582 -25.280 593 1HD LYS 44 2HD LYS 44 8.806 1.360 -27.710 594 2HD LYS 44 1HD LYS 44 7.333 2.291 -27.974 595 1HE LYS 44 2HE LYS 44 9.081 3.880 -28.176 596 2HE LYS 44 1HE LYS 44 8.447 4.126 -26.549 597 1HZ LYS 44 1HZ LYS 44 10.212 2.783 -25.661 598 2HZ LYS 44 2HZ LYS 44 10.882 4.019 -26.613 599 3HZ LYS 44 3HZ LYS 44 10.793 2.434 -27.216 600 H ASP 45 H ASP 45 6.569 2.210 -23.305 601 HA ASP 45 HA ASP 45 8.199 4.489 -22.771 602 1HB ASP 45 2HB ASP 45 5.344 3.833 -22.014 603 2HB ASP 45 1HB ASP 45 6.095 5.389 -21.699 604 H ILE 46 H ILE 46 6.598 2.130 -20.590 605 HA ILE 46 HA ILE 46 7.506 3.333 -18.163 606 HB ILE 46 HB ILE 46 5.731 1.539 -18.345 607 1HG1 ILE 46 2HG1 ILE 46 7.966 0.958 -16.382 608 2HG1 ILE 46 1HG1 ILE 46 6.814 2.283 -16.214 609 1HG2 ILE 46 1HG2 ILE 46 7.014 -0.818 -17.930 610 2HG2 ILE 46 2HG2 ILE 46 8.082 -0.088 -19.118 611 3HG2 ILE 46 3HG2 ILE 46 6.379 -0.309 -19.489 612 1HD1 ILE 46 1HD1 ILE 46 4.991 0.822 -15.902 613 2HD1 ILE 46 2HD1 ILE 46 6.290 0.062 -14.982 614 3HD1 ILE 46 3HD1 ILE 46 5.863 -0.554 -16.579 615 H LEU 47 H LEU 47 9.120 1.266 -20.489 616 HA LEU 47 HA LEU 47 11.355 0.543 -18.829 617 1HB LEU 47 2HB LEU 47 10.873 0.644 -21.804 618 2HB LEU 47 1HB LEU 47 12.475 0.293 -21.167 619 HG LEU 47 HG LEU 47 10.011 -1.218 -20.286 620 1HD1 LEU 47 1HD1 LEU 47 12.018 -2.295 -22.249 621 2HD1 LEU 47 2HD1 LEU 47 10.664 -1.322 -22.825 622 3HD1 LEU 47 3HD1 LEU 47 10.363 -2.825 -21.951 623 1HD2 LEU 47 1HD2 LEU 47 12.087 -2.893 -19.968 624 2HD2 LEU 47 2HD2 LEU 47 11.627 -1.729 -18.726 625 3HD2 LEU 47 3HD2 LEU 47 12.954 -1.364 -19.828 626 H GLU 48 H GLU 48 10.839 3.094 -21.264 627 HA GLU 48 HA GLU 48 13.374 4.386 -20.851 628 1HB GLU 48 2HB GLU 48 10.822 5.724 -21.778 629 2HB GLU 48 1HB GLU 48 12.477 6.229 -22.112 630 1HG GLU 48 2HG GLU 48 11.248 3.632 -23.056 631 2HG GLU 48 1HG GLU 48 11.420 5.080 -24.031 632 H VAL 49 H VAL 49 10.153 4.717 -19.467 633 HA VAL 49 HA VAL 49 10.619 7.079 -17.979 634 HB VAL 49 HB VAL 49 8.799 4.732 -17.327 635 1HG1 VAL 49 1HG1 VAL 49 8.534 7.583 -16.345 636 2HG1 VAL 49 2HG1 VAL 49 9.371 6.345 -15.412 637 3HG1 VAL 49 3HG1 VAL 49 7.660 6.155 -15.787 638 1HG2 VAL 49 1HG2 VAL 49 7.711 7.302 -18.324 639 2HG2 VAL 49 2HG2 VAL 49 7.267 5.649 -18.750 640 3HG2 VAL 49 3HG2 VAL 49 8.679 6.402 -19.492 641 H ILE 50 H ILE 50 10.840 3.646 -16.915 642 HA ILE 50 HA ILE 50 11.985 4.144 -14.364 643 HB ILE 50 HB ILE 50 12.562 1.805 -16.210 644 1HG1 ILE 50 2HG1 ILE 50 10.591 1.714 -13.962 645 2HG1 ILE 50 1HG1 ILE 50 10.098 2.499 -15.462 646 1HG2 ILE 50 1HG2 ILE 50 13.094 0.603 -14.146 647 2HG2 ILE 50 2HG2 ILE 50 12.719 2.037 -13.189 648 3HG2 ILE 50 3HG2 ILE 50 14.113 2.039 -14.271 649 1HD1 ILE 50 1HD1 ILE 50 10.692 0.476 -16.730 650 2HD1 ILE 50 2HD1 ILE 50 9.518 0.092 -15.471 651 3HD1 ILE 50 3HD1 ILE 50 11.220 -0.311 -15.244 652 H CYS 51 H CYS 51 13.357 4.380 -17.557 653 HA CYS 51 HA CYS 51 16.122 4.334 -16.721 654 1HB CYS 51 2HB CYS 51 15.141 3.926 -19.095 655 2HB CYS 51 1HB CYS 51 15.093 5.685 -19.216 656 HG CYS 51 HG CYS 51 17.813 4.427 -18.413 657 H LYS 52 H LYS 52 13.772 6.892 -17.504 658 HA LYS 52 HA LYS 52 15.465 9.138 -17.158 659 1HB LYS 52 2HB LYS 52 12.529 8.953 -16.430 660 2HB LYS 52 1HB LYS 52 13.430 10.433 -16.742 661 1HG LYS 52 2HG LYS 52 13.593 10.004 -19.034 662 2HG LYS 52 1HG LYS 52 13.332 8.272 -18.832 663 1HD LYS 52 2HD LYS 52 11.209 8.801 -19.514 664 2HD LYS 52 1HD LYS 52 11.001 9.204 -17.810 665 1HE LYS 52 2HE LYS 52 10.212 11.115 -18.968 666 2HE LYS 52 1HE LYS 52 11.837 11.556 -18.445 667 1HZ LYS 52 1HZ LYS 52 10.974 10.673 -21.138 668 2HZ LYS 52 2HZ LYS 52 12.607 10.744 -20.673 669 3HZ LYS 52 3HZ LYS 52 11.667 12.159 -20.702 670 H TYR 53 H TYR 53 13.791 7.153 -14.782 671 HA TYR 53 HA TYR 53 14.740 8.915 -12.592 672 1HB TYR 53 2HB TYR 53 12.799 6.582 -12.598 673 2HB TYR 53 1HB TYR 53 13.204 7.558 -11.199 674 HD1 TYR 53 HD1 TYR 53 11.756 9.306 -10.655 675 HD2 TYR 53 HD2 TYR 53 12.050 8.043 -14.742 676 HE1 TYR 53 HE1 TYR 53 9.966 10.904 -11.290 677 HE2 TYR 53 HE2 TYR 53 10.275 9.633 -15.378 678 HH TYR 53 HH TYR 53 8.192 10.764 -13.829 679 H VAL 54 H VAL 54 15.516 5.942 -14.180 680 HA VAL 54 HA VAL 54 17.596 5.387 -12.161 681 HB VAL 54 HB VAL 54 15.851 3.051 -12.946 682 1HG1 VAL 54 1HG1 VAL 54 18.178 3.059 -11.710 683 2HG1 VAL 54 2HG1 VAL 54 16.894 1.982 -11.158 684 3HG1 VAL 54 3HG1 VAL 54 17.206 3.493 -10.304 685 1HG2 VAL 54 1HG2 VAL 54 14.278 4.686 -11.964 686 2HG2 VAL 54 2HG2 VAL 54 15.349 4.891 -10.577 687 3HG2 VAL 54 3HG2 VAL 54 14.551 3.343 -10.853 688 H GLN 55 H GLN 55 17.686 2.544 -13.636 689 HA GLN 55 HA GLN 55 18.224 3.180 -16.389 690 1HB GLN 55 2HB GLN 55 20.294 3.796 -14.506 691 2HB GLN 55 1HB GLN 55 20.828 2.430 -15.483 692 1HG GLN 55 2HG GLN 55 20.243 3.704 -17.538 693 2HG GLN 55 1HG GLN 55 19.800 5.083 -16.532 694 1HE2 GLN 55 1HE2 GLN 55 22.036 4.906 -18.526 695 2HE2 GLN 55 2HE2 GLN 55 23.452 5.243 -17.653 696 H ILE 56 H ILE 56 17.404 1.300 -17.108 697 HA ILE 56 HA ILE 56 18.711 -1.231 -16.246 698 HB ILE 56 HB ILE 56 16.337 -2.276 -16.426 699 1HG1 ILE 56 2HG1 ILE 56 15.259 0.257 -15.340 700 2HG1 ILE 56 1HG1 ILE 56 15.615 0.296 -17.066 701 1HG2 ILE 56 1HG2 ILE 56 17.897 -1.575 -14.336 702 2HG2 ILE 56 2HG2 ILE 56 16.323 -2.346 -14.146 703 3HG2 ILE 56 3HG2 ILE 56 16.472 -0.597 -13.985 704 1HD1 ILE 56 1HD1 ILE 56 13.745 -1.551 -15.580 705 2HD1 ILE 56 2HD1 ILE 56 14.357 -1.960 -17.182 706 3HD1 ILE 56 3HD1 ILE 56 13.387 -0.505 -16.954 707 H ASP 57 H ASP 57 18.100 -3.027 -17.831 708 HA ASP 57 HA ASP 57 18.033 -1.870 -20.577 709 1HB ASP 57 2HB ASP 57 19.198 -4.353 -19.367 710 2HB ASP 57 1HB ASP 57 18.737 -4.383 -21.068 711 HA PRO 58 HA PRO 58 14.093 -3.722 -21.378 712 1HB PRO 58 2HB PRO 58 14.341 -4.568 -23.968 713 2HB PRO 58 1HB PRO 58 14.178 -2.865 -23.511 714 1HG PRO 58 2HG PRO 58 16.592 -4.365 -24.378 715 2HG PRO 58 1HG PRO 58 16.168 -2.664 -24.626 716 1HD PRO 58 2HD PRO 58 17.979 -3.598 -22.722 717 2HD PRO 58 1HD PRO 58 17.179 -2.012 -22.678 718 H GLU 59 H GLU 59 16.937 -5.671 -22.048 719 HA GLU 59 HA GLU 59 15.570 -8.208 -22.246 720 1HB GLU 59 2HB GLU 59 18.419 -7.573 -21.410 721 2HB GLU 59 1HB GLU 59 17.813 -9.177 -21.825 722 1HG GLU 59 2HG GLU 59 17.009 -7.847 -24.021 723 2HG GLU 59 1HG GLU 59 18.411 -6.863 -23.599 724 H MET 60 H MET 60 16.150 -6.067 -19.613 725 HA MET 60 HA MET 60 16.089 -8.211 -17.584 726 1HB MET 60 2HB MET 60 16.464 -5.221 -17.533 727 2HB MET 60 1HB MET 60 16.090 -6.098 -16.055 728 1HG MET 60 2HG MET 60 18.207 -7.390 -17.628 729 2HG MET 60 1HG MET 60 18.628 -5.751 -17.136 730 1HE MET 60 1HE MET 60 19.507 -5.213 -14.561 731 2HE MET 60 2HE MET 60 18.245 -5.652 -13.412 732 3HE MET 60 3HE MET 60 17.810 -4.879 -14.934 733 H VAL 61 H VAL 61 13.779 -6.637 -19.434 734 HA VAL 61 HA VAL 61 11.772 -6.814 -17.232 735 HB VAL 61 HB VAL 61 11.673 -5.067 -19.711 736 1HG1 VAL 61 1HG1 VAL 61 9.527 -5.959 -18.403 737 2HG1 VAL 61 2HG1 VAL 61 9.619 -4.293 -18.975 738 3HG1 VAL 61 3HG1 VAL 61 9.965 -4.667 -17.286 739 1HG2 VAL 61 1HG2 VAL 61 12.760 -4.674 -16.973 740 2HG2 VAL 61 2HG2 VAL 61 11.765 -3.360 -17.597 741 3HG2 VAL 61 3HG2 VAL 61 13.199 -3.877 -18.483 742 H THR 62 H THR 62 10.059 -8.185 -17.581 743 HA THR 62 HA THR 62 9.970 -9.611 -20.172 744 HB THR 62 HB THR 62 8.497 -10.412 -17.665 745 HG1 THR 62 HG1 THR 62 10.305 -11.596 -17.107 746 1HG2 THR 62 1HG2 THR 62 7.795 -11.630 -19.592 747 2HG2 THR 62 2HG2 THR 62 8.911 -12.691 -18.734 748 3HG2 THR 62 3HG2 THR 62 9.452 -11.816 -20.165 749 H VAL 63 H VAL 63 7.773 -10.146 -21.020 750 HA VAL 63 HA VAL 63 5.602 -8.328 -20.142 751 HB VAL 63 HB VAL 63 6.554 -8.492 -23.014 752 1HG1 VAL 63 1HG1 VAL 63 4.282 -7.145 -21.588 753 2HG1 VAL 63 2HG1 VAL 63 4.288 -7.960 -23.152 754 3HG1 VAL 63 3HG1 VAL 63 4.995 -6.352 -22.992 755 1HG2 VAL 63 1HG2 VAL 63 6.896 -6.340 -20.910 756 2HG2 VAL 63 2HG2 VAL 63 7.215 -6.101 -22.628 757 3HG2 VAL 63 3HG2 VAL 63 8.177 -7.255 -21.704 758 H GLN 64 H GLN 64 4.061 -9.864 -19.710 759 HA GLN 64 HA GLN 64 3.572 -11.908 -21.834 760 1HB GLN 64 2HB GLN 64 2.815 -13.438 -20.018 761 2HB GLN 64 1HB GLN 64 4.513 -12.993 -19.857 762 1HG GLN 64 2HG GLN 64 2.914 -11.038 -18.473 763 2HG GLN 64 1HG GLN 64 2.424 -12.643 -17.944 764 1HE2 GLN 64 1HE2 GLN 64 5.547 -10.981 -18.706 765 2HE2 GLN 64 2HE2 GLN 64 6.364 -11.590 -17.348 766 H LEU 65 H LEU 65 1.502 -11.931 -22.629 767 HA LEU 65 HA LEU 65 -0.510 -10.238 -21.243 768 1HB LEU 65 2HB LEU 65 -1.636 -10.220 -23.463 769 2HB LEU 65 1HB LEU 65 -0.028 -9.511 -23.508 770 HG LEU 65 HG LEU 65 -0.090 -12.425 -23.995 771 1HD1 LEU 65 1HD1 LEU 65 -2.209 -11.391 -25.116 772 2HD1 LEU 65 2HD1 LEU 65 -1.152 -12.418 -26.085 773 3HD1 LEU 65 3HD1 LEU 65 -1.056 -10.664 -26.235 774 1HD2 LEU 65 1HD2 LEU 65 1.748 -10.493 -24.296 775 2HD2 LEU 65 2HD2 LEU 65 1.020 -10.415 -25.901 776 3HD2 LEU 65 3HD2 LEU 65 1.726 -11.925 -25.325 777 H GLU 66 H GLU 66 -2.688 -11.034 -21.097 778 HA GLU 66 HA GLU 66 -3.137 -13.898 -21.677 779 1HB GLU 66 2HB GLU 66 -3.334 -12.680 -18.905 780 2HB GLU 66 1HB GLU 66 -4.028 -14.241 -19.339 781 1HG GLU 66 2HG GLU 66 -1.099 -13.512 -19.625 782 2HG GLU 66 1HG GLU 66 -1.775 -14.447 -18.292 783 H GLN 67 H GLN 67 -5.570 -14.331 -20.759 784 HA GLN 67 HA GLN 67 -7.261 -11.943 -21.257 785 1HB GLN 67 2HB GLN 67 -7.361 -14.502 -22.880 786 2HB GLN 67 1HB GLN 67 -8.649 -13.298 -22.878 787 1HG GLN 67 2HG GLN 67 -7.464 -12.433 -24.632 788 2HG GLN 67 1HG GLN 67 -6.517 -11.690 -23.344 789 1HE2 GLN 67 1HE2 GLN 67 -5.544 -12.545 -26.037 790 2HE2 GLN 67 2HE2 GLN 67 -4.317 -13.680 -25.746 791 H LYS 68 H LYS 68 -9.427 -12.205 -20.449 792 HA LYS 68 HA LYS 68 -9.699 -14.479 -18.528 793 1HB LYS 68 2HB LYS 68 -10.749 -11.649 -18.503 794 2HB LYS 68 1HB LYS 68 -11.453 -12.899 -17.481 795 1HG LYS 68 2HG LYS 68 -9.736 -12.791 -16.020 796 2HG LYS 68 1HG LYS 68 -8.545 -12.935 -17.312 797 1HD LYS 68 2HD LYS 68 -8.243 -10.800 -16.170 798 2HD LYS 68 1HD LYS 68 -8.836 -10.506 -17.804 799 1HE LYS 68 2HE LYS 68 -10.147 -9.100 -16.396 800 2HE LYS 68 1HE LYS 68 -11.186 -10.471 -16.787 801 1HZ LYS 68 1HZ LYS 68 -9.600 -10.107 -14.303 802 2HZ LYS 68 2HZ LYS 68 -10.492 -11.502 -14.685 803 3HZ LYS 68 3HZ LYS 68 -11.287 -10.019 -14.443 804 H ASP 69 H ASP 69 -12.037 -15.161 -18.178 805 HA ASP 69 HA ASP 69 -13.265 -15.678 -20.765 806 1HB ASP 69 2HB ASP 69 -14.913 -16.986 -19.407 807 2HB ASP 69 1HB ASP 69 -13.241 -17.458 -19.106 808 H GLY 70 H GLY 70 -13.442 -13.076 -20.758 809 1HA GLY 70 2HA GLY 70 -16.280 -12.499 -20.588 810 2HA GLY 70 1HA GLY 70 -15.367 -11.654 -19.338 811 H ASP 71 H ASP 71 -14.039 -12.378 -22.507 812 HA ASP 71 HA ASP 71 -13.268 -10.979 -24.216 813 1HB ASP 71 2HB ASP 71 -15.731 -9.520 -23.268 814 2HB ASP 71 1HB ASP 71 -14.701 -8.828 -24.519 815 H ILE 72 H ILE 72 -11.923 -10.852 -21.793 816 HA ILE 72 HA ILE 72 -11.135 -7.969 -21.689 817 HB ILE 72 HB ILE 72 -10.971 -9.878 -19.350 818 1HG1 ILE 72 2HG1 ILE 72 -13.212 -7.995 -20.158 819 2HG1 ILE 72 1HG1 ILE 72 -13.322 -9.727 -19.885 820 1HG2 ILE 72 1HG2 ILE 72 -11.024 -6.848 -19.462 821 2HG2 ILE 72 2HG2 ILE 72 -9.536 -7.795 -19.458 822 3HG2 ILE 72 3HG2 ILE 72 -10.623 -7.856 -18.072 823 1HD1 ILE 72 1HD1 ILE 72 -14.226 -8.653 -17.927 824 2HD1 ILE 72 2HD1 ILE 72 -12.830 -7.583 -17.802 825 3HD1 ILE 72 3HD1 ILE 72 -12.651 -9.307 -17.479 826 H SER 73 H SER 73 -8.860 -7.607 -21.385 827 HA SER 73 HA SER 73 -7.176 -10.015 -21.977 828 1HB SER 73 2HB SER 73 -6.380 -7.188 -22.641 829 2HB SER 73 1HB SER 73 -5.788 -8.692 -23.339 830 HG SER 73 HG SER 73 -7.475 -8.762 -24.623 831 H ILE 74 H ILE 74 -4.827 -9.608 -21.291 832 HA ILE 74 HA ILE 74 -4.596 -8.022 -18.784 833 HB ILE 74 HB ILE 74 -3.836 -10.932 -19.036 834 1HG1 ILE 74 2HG1 ILE 74 -6.300 -10.598 -18.964 835 2HG1 ILE 74 1HG1 ILE 74 -5.693 -11.428 -17.534 836 1HG2 ILE 74 1HG2 ILE 74 -3.609 -10.671 -16.493 837 2HG2 ILE 74 2HG2 ILE 74 -3.649 -8.932 -16.787 838 3HG2 ILE 74 3HG2 ILE 74 -2.361 -9.914 -17.484 839 1HD1 ILE 74 1HD1 ILE 74 -6.514 -9.817 -16.206 840 2HD1 ILE 74 2HD1 ILE 74 -7.224 -9.048 -17.624 841 3HD1 ILE 74 3HD1 ILE 74 -5.610 -8.586 -17.085 842 H LEU 75 H LEU 75 -2.256 -7.874 -18.130 843 HA LEU 75 HA LEU 75 -0.241 -8.769 -20.002 844 1HB LEU 75 2HB LEU 75 -1.304 -6.641 -21.025 845 2HB LEU 75 1HB LEU 75 -0.474 -5.779 -19.732 846 HG LEU 75 HG LEU 75 1.146 -7.748 -21.263 847 1HD1 LEU 75 1HD1 LEU 75 -0.219 -5.416 -22.483 848 2HD1 LEU 75 2HD1 LEU 75 0.432 -6.867 -23.247 849 3HD1 LEU 75 3HD1 LEU 75 1.509 -5.540 -22.811 850 1HD2 LEU 75 1HD2 LEU 75 1.498 -5.060 -19.946 851 2HD2 LEU 75 2HD2 LEU 75 2.708 -5.661 -21.079 852 3HD2 LEU 75 3HD2 LEU 75 2.343 -6.572 -19.615 853 H GLU 76 H GLU 76 0.994 -9.595 -18.383 854 HA GLU 76 HA GLU 76 1.630 -7.862 -16.046 855 1HB GLU 76 2HB GLU 76 2.231 -10.806 -16.419 856 2HB GLU 76 1HB GLU 76 2.317 -9.887 -14.917 857 1HG GLU 76 2HG GLU 76 -0.159 -9.416 -15.175 858 2HG GLU 76 1HG GLU 76 -0.167 -10.569 -16.510 859 H LEU 77 H LEU 77 3.312 -6.548 -16.810 860 HA LEU 77 HA LEU 77 5.565 -7.860 -18.204 861 1HB LEU 77 2HB LEU 77 6.495 -5.534 -18.363 862 2HB LEU 77 1HB LEU 77 4.914 -5.716 -19.119 863 HG LEU 77 HG LEU 77 4.862 -4.948 -16.261 864 1HD1 LEU 77 1HD1 LEU 77 6.274 -3.353 -18.340 865 2HD1 LEU 77 2HD1 LEU 77 6.533 -3.408 -16.597 866 3HD1 LEU 77 3HD1 LEU 77 5.189 -2.478 -17.260 867 1HD2 LEU 77 1HD2 LEU 77 3.352 -3.163 -17.748 868 2HD2 LEU 77 2HD2 LEU 77 2.747 -4.661 -17.046 869 3HD2 LEU 77 3HD2 LEU 77 3.285 -4.630 -18.724 870 H ASN 78 H ASN 78 7.321 -8.566 -17.136 871 HA ASN 78 HA ASN 78 7.565 -8.018 -14.254 872 1HB ASN 78 2HB ASN 78 9.400 -9.683 -15.981 873 2HB ASN 78 1HB ASN 78 9.177 -9.773 -14.246 874 1HD2 ASN 78 1HD2 ASN 78 6.153 -9.560 -14.510 875 2HD2 ASN 78 2HD2 ASN 78 5.659 -11.083 -15.070 876 H VAL 79 H VAL 79 9.223 -6.793 -13.372 877 HA VAL 79 HA VAL 79 11.151 -5.577 -15.310 878 HB VAL 79 HB VAL 79 10.039 -4.159 -12.878 879 1HG1 VAL 79 1HG1 VAL 79 11.542 -3.282 -15.360 880 2HG1 VAL 79 2HG1 VAL 79 12.152 -3.293 -13.706 881 3HG1 VAL 79 3HG1 VAL 79 10.870 -2.173 -14.165 882 1HG2 VAL 79 1HG2 VAL 79 8.081 -4.167 -14.080 883 2HG2 VAL 79 2HG2 VAL 79 8.897 -4.540 -15.598 884 3HG2 VAL 79 3HG2 VAL 79 8.887 -2.886 -14.987 885 H THR 80 H THR 80 13.021 -6.627 -14.817 886 HA THR 80 HA THR 80 13.686 -7.177 -11.982 887 HB THR 80 HB THR 80 15.150 -7.943 -14.528 888 HG1 THR 80 HG1 THR 80 14.235 -10.019 -13.971 889 1HG2 THR 80 1HG2 THR 80 16.825 -8.402 -13.079 890 2HG2 THR 80 2HG2 THR 80 15.815 -9.740 -12.531 891 3HG2 THR 80 3HG2 THR 80 15.779 -8.199 -11.674 892 H LEU 81 H LEU 81 14.525 -5.395 -10.992 893 HA LEU 81 HA LEU 81 16.286 -3.555 -12.465 894 1HB LEU 81 2HB LEU 81 15.481 -3.515 -9.539 895 2HB LEU 81 1HB LEU 81 16.152 -2.186 -10.474 896 HG LEU 81 HG LEU 81 13.502 -3.524 -11.078 897 1HD1 LEU 81 1HD1 LEU 81 14.074 -0.846 -9.768 898 2HD1 LEU 81 2HD1 LEU 81 13.479 -2.278 -8.928 899 3HD1 LEU 81 3HD1 LEU 81 12.480 -1.495 -10.153 900 1HD2 LEU 81 1HD2 LEU 81 14.781 -0.975 -12.125 901 2HD2 LEU 81 2HD2 LEU 81 13.192 -1.591 -12.578 902 3HD2 LEU 81 3HD2 LEU 81 14.644 -2.488 -13.021 903 HA PRO 82 HA PRO 82 19.887 -5.716 -10.880 904 1HB PRO 82 2HB PRO 82 21.775 -3.935 -11.728 905 2HB PRO 82 1HB PRO 82 20.938 -5.057 -12.810 906 1HG PRO 82 2HG PRO 82 20.628 -2.141 -12.535 907 2HG PRO 82 1HG PRO 82 20.250 -3.192 -13.906 908 1HD PRO 82 2HD PRO 82 18.411 -2.097 -12.021 909 2HD PRO 82 1HD PRO 82 18.064 -3.269 -13.308 910 H GLU 83 H GLU 83 22.055 -4.919 -9.678 911 HA GLU 83 HA GLU 83 21.306 -3.976 -7.114 912 1HB GLU 83 2HB GLU 83 23.839 -4.558 -8.530 913 2HB GLU 83 1HB GLU 83 23.978 -3.433 -7.180 914 1HG GLU 83 2HG GLU 83 22.844 -5.044 -5.706 915 2HG GLU 83 1HG GLU 83 22.687 -6.172 -7.053 916 H ALA 84 H ALA 84 22.269 -1.981 -6.061 917 HA ALA 84 HA ALA 84 23.079 0.304 -7.527 918 1HB ALA 84 1HB ALA 84 20.107 -0.005 -7.114 919 2HB ALA 84 2HB ALA 84 20.969 0.502 -8.568 920 3HB ALA 84 3HB ALA 84 20.846 1.595 -7.190 921 H GLU 85 H GLU 85 24.181 1.344 -5.936 922 HA GLU 85 HA GLU 85 22.960 2.326 -3.553 923 1HB GLU 85 2HB GLU 85 23.244 -0.275 -3.185 924 2HB GLU 85 1HB GLU 85 24.924 0.162 -2.872 925 1HG GLU 85 2HG GLU 85 24.009 1.927 -1.258 926 2HG GLU 85 1HG GLU 85 22.457 1.104 -1.404 927 H GLU 86 H GLU 86 24.612 3.417 -5.546 928 HA GLU 86 HA GLU 86 26.501 4.788 -5.778 929 1HB GLU 86 2HB GLU 86 25.591 5.297 -3.310 930 2HB GLU 86 1HB GLU 86 27.138 4.573 -2.869 931 1HG GLU 86 2HG GLU 86 28.368 6.268 -3.839 932 2HG GLU 86 1HG GLU 86 27.134 6.613 -5.050 933 H LEU 87 H LEU 87 26.838 1.951 -6.103 934 HA LEU 87 HA LEU 87 29.564 1.505 -4.969 935 1HB LEU 87 2HB LEU 87 27.272 -0.230 -5.463 936 2HB LEU 87 1HB LEU 87 28.724 -0.858 -6.238 937 HG LEU 87 HG LEU 87 28.517 -1.724 -3.941 938 1HD1 LEU 87 1HD1 LEU 87 30.754 -1.520 -3.481 939 2HD1 LEU 87 2HD1 LEU 87 30.736 0.236 -3.644 940 3HD1 LEU 87 3HD1 LEU 87 30.770 -0.783 -5.083 941 1HD2 LEU 87 1HD2 LEU 87 28.689 1.193 -3.117 942 2HD2 LEU 87 2HD2 LEU 87 28.660 -0.189 -2.023 943 3HD2 LEU 87 3HD2 LEU 87 27.245 0.188 -3.004 944 H LYS 88 HN LYS 88 31.243 0.785 -6.412 945 HA LYS 88 HA LYS 88 30.797 1.660 -9.231 946 1HB LYS 88 2HB LYS 88 33.403 1.282 -7.720 947 2HB LYS 88 1HB LYS 88 33.228 1.954 -9.343 948 1HG LYS 88 2HG LYS 88 31.617 3.223 -7.182 949 2HG LYS 88 1HG LYS 88 33.356 3.512 -7.156 950 1HD LYS 88 2HD LYS 88 33.221 4.201 -9.562 951 2HD LYS 88 1HD LYS 88 31.466 4.052 -9.463 952 1HE LYS 88 2HE LYS 88 31.307 5.808 -7.858 953 2HE LYS 88 1HE LYS 88 33.044 5.789 -7.557 954 1HZ LYS 88 1HZ LYS 88 32.781 7.579 -8.966 955 2HZ LYS 88 2HZ LYS 88 31.580 6.819 -9.897 956 3HZ LYS 88 3HZ LYS 88 33.205 6.342 -10.047 Start of MODEL 6 1 1H ARG 31 1H ARG 31 4.246 1.628 2.768 2 2H ARG 31 2H ARG 31 4.538 -0.010 3.116 3 3H ARG 31 3H ARG 31 2.972 0.509 2.708 4 HA ARG 31 HA ARG 31 3.727 -0.474 0.760 5 1HB ARG 31 2HB ARG 31 2.999 2.079 0.720 6 2HB ARG 31 1HB ARG 31 4.674 2.315 0.218 7 1HG ARG 31 2HG ARG 31 4.353 0.676 -1.607 8 2HG ARG 31 1HG ARG 31 2.671 0.469 -1.117 9 1HD ARG 31 2HD ARG 31 3.561 3.265 -1.583 10 2HD ARG 31 1HD ARG 31 3.438 2.239 -3.012 11 HE ARG 31 HE ARG 31 1.068 1.851 -1.531 12 1HH1 ARG 31 1HH2 ARG 31 2.708 4.447 -3.207 13 2HH1 ARG 31 2HH2 ARG 31 1.234 5.266 -3.589 14 1HH2 ARG 31 1HH1 ARG 31 -0.814 2.943 -2.048 15 2HH2 ARG 31 2HH1 ARG 31 -0.740 4.425 -2.941 16 H SER 32 H SER 32 5.483 -1.782 0.541 17 HA SER 32 HA SER 32 8.144 -1.106 1.316 18 1HB SER 32 2HB SER 32 7.241 -3.193 -0.682 19 2HB SER 32 1HB SER 32 8.807 -3.140 0.122 20 HG SER 32 HG SER 32 7.417 -4.528 1.230 21 H ASP 33 H ASP 33 6.343 -0.222 -1.492 22 HA ASP 33 HA ASP 33 8.710 0.149 -3.165 23 1HB ASP 33 2HB ASP 33 5.884 1.092 -3.678 24 2HB ASP 33 1HB ASP 33 7.180 0.926 -4.863 25 H ALA 34 H ALA 34 7.947 1.785 -0.538 26 HA ALA 34 HA ALA 34 7.994 4.500 -1.651 27 1HB ALA 34 1HB ALA 34 6.544 4.121 0.266 28 2HB ALA 34 2HB ALA 34 7.867 5.180 0.754 29 3HB ALA 34 3HB ALA 34 7.896 3.473 1.197 30 H GLU 35 H GLU 35 10.221 2.117 -0.592 31 HA GLU 35 HA GLU 35 12.266 3.703 0.564 32 1HB GLU 35 2HB GLU 35 12.681 1.228 -1.128 33 2HB GLU 35 1HB GLU 35 13.750 1.855 0.120 34 1HG GLU 35 2HG GLU 35 11.013 1.423 1.093 35 2HG GLU 35 1HG GLU 35 11.767 -0.055 0.499 36 HA PRO 36 HA PRO 36 14.064 4.369 -3.823 37 1HB PRO 36 2HB PRO 36 12.574 3.655 -5.996 38 2HB PRO 36 1HB PRO 36 13.671 2.547 -5.161 39 1HG PRO 36 2HG PRO 36 10.739 2.578 -5.210 40 2HG PRO 36 1HG PRO 36 11.845 1.260 -4.800 41 1HD PRO 36 2HD PRO 36 10.374 2.945 -3.001 42 2HD PRO 36 1HD PRO 36 11.491 1.639 -2.592 43 H HIS 37 H HIS 37 10.509 4.716 -3.986 44 HA HIS 37 HA HIS 37 9.183 6.630 -4.221 45 1HB HIS 37 2HB HIS 37 11.267 7.701 -2.962 46 2HB HIS 37 1HB HIS 37 11.530 8.455 -4.534 47 HD1 HIS 37 HD1 HIS 37 9.831 10.216 -5.319 48 HD2 HIS 37 HD2 HIS 37 8.815 8.475 -1.670 49 HE1 HIS 37 HE1 HIS 37 7.933 11.598 -4.370 50 H TYR 38 H TYR 38 11.277 5.418 -6.509 51 HA TYR 38 HA TYR 38 10.157 7.223 -8.605 52 1HB TYR 38 2HB TYR 38 12.145 6.455 -9.996 53 2HB TYR 38 1HB TYR 38 12.538 7.503 -8.636 54 HD1 TYR 38 HD1 TYR 38 12.568 4.006 -9.864 55 HD2 TYR 38 HD2 TYR 38 13.798 6.697 -6.749 56 HE1 TYR 38 HE1 TYR 38 14.086 2.266 -8.959 57 HE2 TYR 38 HE2 TYR 38 15.314 4.955 -5.843 58 HH TYR 38 HH TYR 38 16.300 2.333 -7.509 59 H LEU 39 H LEU 39 10.888 3.911 -7.639 60 HA LEU 39 HA LEU 39 10.141 2.488 -9.938 61 1HB LEU 39 2HB LEU 39 10.681 1.902 -7.230 62 2HB LEU 39 1HB LEU 39 9.105 1.190 -7.558 63 HG LEU 39 HG LEU 39 10.862 -0.433 -8.075 64 1HD1 LEU 39 1HD1 LEU 39 8.782 -0.015 -9.640 65 2HD1 LEU 39 2HD1 LEU 39 10.062 -1.111 -10.160 66 3HD1 LEU 39 3HD1 LEU 39 10.003 0.535 -10.787 67 1HD2 LEU 39 1HD2 LEU 39 12.254 0.370 -10.245 68 2HD2 LEU 39 2HD2 LEU 39 12.832 0.618 -8.598 69 3HD2 LEU 39 3HD2 LEU 39 12.027 1.931 -9.457 70 HA PRO 40 HA PRO 40 5.537 2.634 -8.492 71 1HB PRO 40 2HB PRO 40 4.859 4.443 -6.553 72 2HB PRO 40 1HB PRO 40 5.312 2.765 -6.222 73 1HG PRO 40 2HG PRO 40 6.882 5.251 -5.844 74 2HG PRO 40 1HG PRO 40 6.927 3.735 -4.937 75 1HD PRO 40 2HD PRO 40 8.791 4.522 -6.849 76 2HD PRO 40 1HD PRO 40 8.560 2.858 -6.275 77 H GLN 41 H GLN 41 7.510 5.441 -8.901 78 HA GLN 41 HA GLN 41 5.378 7.226 -9.789 79 1HB GLN 41 2HB GLN 41 7.474 8.130 -8.855 80 2HB GLN 41 1HB GLN 41 8.397 7.346 -10.136 81 1HG GLN 41 2HG GLN 41 8.110 9.656 -10.765 82 2HG GLN 41 1HG GLN 41 7.059 8.692 -11.804 83 1HE2 GLN 41 1HE2 GLN 41 5.373 10.237 -12.131 84 2HE2 GLN 41 2HE2 GLN 41 4.423 10.854 -10.867 85 H LEU 42 H LEU 42 7.624 4.928 -11.223 86 HA LEU 42 HA LEU 42 7.059 5.685 -13.952 87 1HB LEU 42 2HB LEU 42 8.330 3.196 -12.787 88 2HB LEU 42 1HB LEU 42 8.260 3.566 -14.493 89 HG LEU 42 HG LEU 42 10.137 4.798 -14.358 90 1HD1 LEU 42 1HD1 LEU 42 8.694 6.731 -13.568 91 2HD1 LEU 42 2HD1 LEU 42 10.383 6.804 -13.079 92 3HD1 LEU 42 3HD1 LEU 42 9.158 6.302 -11.922 93 1HD2 LEU 42 1HD2 LEU 42 11.088 3.299 -12.859 94 2HD2 LEU 42 2HD2 LEU 42 9.978 3.735 -11.561 95 3HD2 LEU 42 3HD2 LEU 42 11.290 4.828 -12.003 96 H ARG 43 H ARG 43 5.979 3.074 -11.764 97 HA ARG 43 HA ARG 43 4.408 1.682 -13.693 98 1HB ARG 43 2HB ARG 43 3.316 0.616 -11.811 99 2HB ARG 43 1HB ARG 43 5.018 0.785 -11.439 100 1HG ARG 43 2HG ARG 43 4.506 2.840 -10.144 101 2HG ARG 43 1HG ARG 43 2.791 2.576 -10.448 102 1HD ARG 43 2HD ARG 43 3.140 0.241 -9.428 103 2HD ARG 43 1HD ARG 43 4.684 0.861 -8.839 104 HE ARG 43 HE ARG 43 2.416 2.576 -8.170 105 1HH1 ARG 43 1HH2 ARG 43 4.339 -0.179 -7.191 106 2HH1 ARG 43 2HH2 ARG 43 3.923 0.000 -5.524 107 1HH2 ARG 43 2HH1 ARG 43 1.906 2.766 -6.003 108 2HH2 ARG 43 1HH1 ARG 43 2.562 1.647 -4.856 109 H LYS 44 H LYS 44 3.578 4.352 -11.464 110 HA LYS 44 HA LYS 44 0.837 4.463 -12.245 111 1HB LYS 44 2HB LYS 44 0.825 6.683 -11.209 112 2HB LYS 44 1HB LYS 44 1.716 5.561 -10.191 113 1HG LYS 44 2HG LYS 44 3.826 6.419 -10.987 114 2HG LYS 44 1HG LYS 44 3.027 7.410 -12.204 115 1HD LYS 44 2HD LYS 44 3.599 8.845 -10.343 116 2HD LYS 44 1HD LYS 44 1.849 8.621 -10.339 117 1HE LYS 44 2HE LYS 44 1.978 6.999 -8.571 118 2HE LYS 44 1HE LYS 44 3.736 6.918 -8.694 119 1HZ LYS 44 1HZ LYS 44 3.604 9.426 -8.198 120 2HZ LYS 44 2HZ LYS 44 3.407 8.327 -6.917 121 3HZ LYS 44 3HZ LYS 44 2.051 9.079 -7.612 122 H ASP 45 H ASP 45 3.816 5.766 -13.580 123 HA ASP 45 HA ASP 45 2.645 7.609 -15.418 124 1HB ASP 45 2HB ASP 45 5.266 6.106 -15.417 125 2HB ASP 45 1HB ASP 45 4.831 7.250 -16.678 126 H ILE 46 H ILE 46 3.595 4.158 -15.753 127 HA ILE 46 HA ILE 46 2.828 3.928 -18.497 128 HB ILE 46 HB ILE 46 4.190 2.230 -17.212 129 1HG1 ILE 46 2HG1 ILE 46 1.762 1.128 -18.653 130 2HG1 ILE 46 1HG1 ILE 46 3.166 1.829 -19.456 131 1HG2 ILE 46 1HG2 ILE 46 2.441 0.379 -16.293 132 2HG2 ILE 46 2HG2 ILE 46 1.592 1.845 -15.829 133 3HG2 ILE 46 3HG2 ILE 46 3.229 1.564 -15.262 134 1HD1 ILE 46 1HD1 ILE 46 4.477 0.010 -19.041 135 2HD1 ILE 46 2HD1 ILE 46 2.929 -0.820 -18.900 136 3HD1 ILE 46 3HD1 ILE 46 3.767 -0.267 -17.451 137 H LEU 47 H LEU 47 0.952 3.896 -15.534 138 HA LEU 47 HA LEU 47 -1.477 2.847 -16.651 139 1HB LEU 47 2HB LEU 47 -0.809 4.524 -14.236 140 2HB LEU 47 1HB LEU 47 -2.486 4.216 -14.677 141 HG LEU 47 HG LEU 47 -0.450 2.005 -14.342 142 1HD1 LEU 47 1HD1 LEU 47 -1.526 1.623 -12.127 143 2HD1 LEU 47 2HD1 LEU 47 -2.437 3.120 -12.338 144 3HD1 LEU 47 3HD1 LEU 47 -0.679 3.168 -12.202 145 1HD2 LEU 47 1HD2 LEU 47 -2.811 0.865 -13.867 146 2HD2 LEU 47 2HD2 LEU 47 -2.222 1.078 -15.515 147 3HD2 LEU 47 3HD2 LEU 47 -3.395 2.212 -14.844 148 H GLU 48 H GLU 48 -0.199 6.124 -16.166 149 HA GLU 48 HA GLU 48 -2.440 7.467 -17.389 150 1HB GLU 48 2HB GLU 48 0.399 8.507 -17.281 151 2HB GLU 48 1HB GLU 48 -1.089 9.448 -17.353 152 1HG GLU 48 2HG GLU 48 -0.838 7.590 -15.051 153 2HG GLU 48 1HG GLU 48 0.251 8.966 -15.068 154 H VAL 49 H VAL 49 0.661 6.205 -18.474 155 HA VAL 49 HA VAL 49 0.621 7.255 -21.106 156 HB VAL 49 HB VAL 49 1.789 4.620 -20.144 157 1HG1 VAL 49 1HG1 VAL 49 2.647 6.283 -22.523 158 2HG1 VAL 49 2HG1 VAL 49 1.491 4.960 -22.664 159 3HG1 VAL 49 3HG1 VAL 49 3.136 4.637 -22.118 160 1HG2 VAL 49 1HG2 VAL 49 2.451 7.184 -19.329 161 2HG2 VAL 49 2HG2 VAL 49 3.583 6.901 -20.651 162 3HG2 VAL 49 3HG2 VAL 49 3.534 5.793 -19.280 163 H ILE 50 H ILE 50 -0.434 4.030 -19.921 164 HA ILE 50 HA ILE 50 -1.661 3.162 -22.342 165 HB ILE 50 HB ILE 50 -2.541 2.546 -19.503 166 1HG1 ILE 50 2HG1 ILE 50 -0.810 0.753 -21.168 167 2HG1 ILE 50 1HG1 ILE 50 -0.060 2.120 -20.343 168 1HG2 ILE 50 1HG2 ILE 50 -3.466 0.501 -20.492 169 2HG2 ILE 50 2HG2 ILE 50 -2.908 1.003 -22.088 170 3HG2 ILE 50 3HG2 ILE 50 -4.173 1.919 -21.268 171 1HD1 ILE 50 1HD1 ILE 50 -0.346 -0.250 -19.141 172 2HD1 ILE 50 2HD1 ILE 50 -1.934 0.416 -18.764 173 3HD1 ILE 50 3HD1 ILE 50 -0.478 1.262 -18.243 174 H CYS 51 H CYS 51 -2.641 5.526 -19.985 175 HA CYS 51 HA CYS 51 -5.429 5.610 -20.734 176 1HB CYS 51 2HB CYS 51 -4.259 6.478 -18.554 177 2HB CYS 51 1HB CYS 51 -3.935 7.923 -19.513 178 HG CYS 51 HG CYS 51 -6.435 7.653 -18.167 179 H LYS 52 H LYS 52 -2.559 7.572 -21.513 180 HA LYS 52 HA LYS 52 -3.799 9.476 -23.202 181 1HB LYS 52 2HB LYS 52 -1.034 8.284 -23.544 182 2HB LYS 52 1HB LYS 52 -1.593 9.813 -24.211 183 1HG LYS 52 2HG LYS 52 -1.641 10.856 -22.115 184 2HG LYS 52 1HG LYS 52 -1.720 9.325 -21.244 185 1HD LYS 52 2HD LYS 52 0.517 9.731 -20.932 186 2HD LYS 52 1HD LYS 52 0.638 8.982 -22.524 187 1HE LYS 52 2HE LYS 52 1.871 11.010 -22.697 188 2HE LYS 52 1HE LYS 52 0.329 11.337 -23.487 189 1HZ LYS 52 1HZ LYS 52 -0.468 12.395 -21.502 190 2HZ LYS 52 2HZ LYS 52 1.014 13.103 -21.941 191 3HZ LYS 52 3HZ LYS 52 0.947 11.992 -20.657 192 H TYR 53 H TYR 53 -2.781 6.174 -23.856 193 HA TYR 53 HA TYR 53 -3.538 6.466 -26.709 194 1HB TYR 53 2HB TYR 53 -2.122 4.232 -25.223 195 2HB TYR 53 1HB TYR 53 -2.446 4.253 -26.946 196 HD1 TYR 53 HD1 TYR 53 -0.714 4.956 -28.342 197 HD2 TYR 53 HD2 TYR 53 -0.912 6.491 -24.345 198 HE1 TYR 53 HE1 TYR 53 1.414 6.181 -28.694 199 HE2 TYR 53 HE2 TYR 53 1.201 7.715 -24.692 200 HH TYR 53 HH TYR 53 2.484 8.629 -26.678 201 H VAL 54 H VAL 54 -4.742 5.218 -23.710 202 HA VAL 54 HA VAL 54 -7.080 4.080 -25.105 203 HB VAL 54 HB VAL 54 -5.767 2.299 -23.052 204 1HG1 VAL 54 1HG1 VAL 54 -7.253 1.422 -25.505 205 2HG1 VAL 54 2HG1 VAL 54 -8.158 2.119 -24.161 206 3HG1 VAL 54 3HG1 VAL 54 -7.185 0.670 -23.910 207 1HG2 VAL 54 1HG2 VAL 54 -4.644 1.049 -24.871 208 2HG2 VAL 54 2HG2 VAL 54 -4.008 2.689 -24.749 209 3HG2 VAL 54 3HG2 VAL 54 -5.150 2.280 -26.029 210 H GLN 55 H GLN 55 -7.586 2.697 -22.260 211 HA GLN 55 HA GLN 55 -7.694 4.867 -20.388 212 1HB GLN 55 2HB GLN 55 -9.830 4.710 -22.349 213 2HB GLN 55 1HB GLN 55 -10.464 4.501 -20.717 214 1HG GLN 55 2HG GLN 55 -9.770 6.609 -20.027 215 2HG GLN 55 1HG GLN 55 -8.481 6.690 -21.227 216 1HE2 GLN 55 1HE2 GLN 55 -8.938 8.006 -22.995 217 2HE2 GLN 55 2HE2 GLN 55 -10.497 8.417 -23.529 218 H ILE 56 H ILE 56 -7.283 3.606 -18.674 219 HA ILE 56 HA ILE 56 -9.189 1.413 -18.033 220 HB ILE 56 HB ILE 56 -7.107 0.135 -17.150 221 1HG1 ILE 56 2HG1 ILE 56 -5.570 1.301 -19.395 222 2HG1 ILE 56 1HG1 ILE 56 -5.773 2.375 -18.011 223 1HG2 ILE 56 1HG2 ILE 56 -7.060 0.156 -20.119 224 2HG2 ILE 56 2HG2 ILE 56 -8.625 -0.130 -19.358 225 3HG2 ILE 56 3HG2 ILE 56 -7.264 -1.193 -19.002 226 1HD1 ILE 56 1HD1 ILE 56 -5.136 0.123 -16.688 227 2HD1 ILE 56 2HD1 ILE 56 -3.905 1.238 -17.283 228 3HD1 ILE 56 3HD1 ILE 56 -4.302 -0.212 -18.205 229 H ASP 57 H ASP 57 -8.873 0.735 -15.680 230 HA ASP 57 HA ASP 57 -8.339 3.179 -14.064 231 1HB ASP 57 2HB ASP 57 -10.079 0.761 -13.719 232 2HB ASP 57 1HB ASP 57 -9.512 1.606 -12.280 233 HA PRO 58 HA PRO 58 -4.815 1.295 -12.156 234 1HB PRO 58 2HB PRO 58 -5.020 2.135 -9.559 235 2HB PRO 58 1HB PRO 58 -4.542 3.197 -10.892 236 1HG PRO 58 2HG PRO 58 -7.133 3.024 -9.452 237 2HG PRO 58 1HG PRO 58 -6.345 4.422 -10.199 238 1HD PRO 58 2HD PRO 58 -8.466 2.993 -11.316 239 2HD PRO 58 1HD PRO 58 -7.366 4.061 -12.215 240 H GLU 59 H GLU 59 -7.933 0.749 -10.636 241 HA GLU 59 HA GLU 59 -7.121 -1.465 -8.969 242 1HB GLU 59 2HB GLU 59 -9.845 -0.865 -10.170 243 2HB GLU 59 1HB GLU 59 -9.524 -1.953 -8.820 244 1HG GLU 59 2HG GLU 59 -8.823 0.996 -8.807 245 2HG GLU 59 1HG GLU 59 -10.306 0.336 -8.117 246 H MET 60 H MET 60 -7.474 -1.108 -12.377 247 HA MET 60 HA MET 60 -8.055 -3.960 -12.846 248 1HB MET 60 2HB MET 60 -7.698 -1.525 -14.591 249 2HB MET 60 1HB MET 60 -7.681 -3.140 -15.289 250 1HG MET 60 2HG MET 60 -9.905 -2.710 -13.409 251 2HG MET 60 1HG MET 60 -9.953 -1.637 -14.805 252 1HE MET 60 1HE MET 60 -9.384 -2.274 -16.977 253 2HE MET 60 2HE MET 60 -11.076 -2.660 -17.279 254 3HE MET 60 3HE MET 60 -9.818 -3.773 -17.811 255 H VAL 61 H VAL 61 -5.334 -1.777 -12.676 256 HA VAL 61 HA VAL 61 -3.547 -3.791 -13.928 257 HB VAL 61 HB VAL 61 -2.903 -0.987 -12.968 258 1HG1 VAL 61 1HG1 VAL 61 -1.020 -2.674 -13.239 259 2HG1 VAL 61 2HG1 VAL 61 -0.878 -1.225 -14.234 260 3HG1 VAL 61 3HG1 VAL 61 -1.432 -2.737 -14.952 261 1HG2 VAL 61 1HG2 VAL 61 -4.104 -2.045 -15.481 262 2HG2 VAL 61 2HG2 VAL 61 -2.854 -0.814 -15.661 263 3HG2 VAL 61 3HG2 VAL 61 -4.304 -0.468 -14.718 264 H THR 62 H THR 62 -2.491 -5.188 -12.595 265 HA THR 62 HA THR 62 -2.426 -4.666 -9.707 266 HB THR 62 HB THR 62 -1.291 -7.080 -11.128 267 HG1 THR 62 HG1 THR 62 -3.481 -6.745 -11.727 268 1HG2 THR 62 1HG2 THR 62 -2.138 -8.071 -8.871 269 2HG2 THR 62 2HG2 THR 62 -2.143 -6.393 -8.328 270 3HG2 THR 62 3HG2 THR 62 -0.643 -7.137 -8.882 271 H VAL 63 H VAL 63 -0.405 -4.914 -8.503 272 HA VAL 63 HA VAL 63 2.089 -4.512 -10.060 273 HB VAL 63 HB VAL 63 1.228 -2.707 -7.785 274 1HG1 VAL 63 1HG1 VAL 63 3.457 -2.040 -9.641 275 2HG1 VAL 63 2HG1 VAL 63 3.760 -3.330 -8.477 276 3HG1 VAL 63 3HG1 VAL 63 3.301 -1.722 -7.913 277 1HG2 VAL 63 1HG2 VAL 63 1.223 -0.968 -9.650 278 2HG2 VAL 63 2HG2 VAL 63 -0.101 -2.131 -9.689 279 3HG2 VAL 63 3HG2 VAL 63 1.268 -2.318 -10.784 280 H GLN 64 H GLN 64 3.602 -5.857 -9.221 281 HA GLN 64 HA GLN 64 3.589 -6.414 -6.314 282 1HB GLN 64 2HB GLN 64 3.738 -8.854 -6.732 283 2HB GLN 64 1HB GLN 64 2.219 -8.191 -7.330 284 1HG GLN 64 2HG GLN 64 3.650 -7.885 -9.560 285 2HG GLN 64 1HG GLN 64 4.570 -9.215 -8.862 286 1HE2 GLN 64 1HE2 GLN 64 3.093 -9.644 -11.232 287 2HE2 GLN 64 2HE2 GLN 64 1.776 -10.659 -10.895 288 H LEU 65 H LEU 65 5.643 -6.333 -5.538 289 HA LEU 65 HA LEU 65 7.856 -6.351 -7.503 290 1HB LEU 65 2HB LEU 65 9.154 -5.341 -5.637 291 2HB LEU 65 1HB LEU 65 7.754 -4.380 -6.092 292 HG LEU 65 HG LEU 65 7.180 -6.409 -4.032 293 1HD1 LEU 65 1HD1 LEU 65 8.251 -4.774 -2.285 294 2HD1 LEU 65 2HD1 LEU 65 9.301 -4.315 -3.626 295 3HD1 LEU 65 3HD1 LEU 65 9.267 -5.987 -3.063 296 1HD2 LEU 65 1HD2 LEU 65 5.811 -4.698 -3.169 297 2HD2 LEU 65 2HD2 LEU 65 5.796 -4.377 -4.903 298 3HD2 LEU 65 3HD2 LEU 65 6.826 -3.421 -3.839 299 H GLU 66 H GLU 66 9.614 -7.718 -7.284 300 HA GLU 66 HA GLU 66 9.506 -9.759 -5.112 301 1HB GLU 66 2HB GLU 66 9.732 -10.203 -8.091 302 2HB GLU 66 1HB GLU 66 10.353 -11.390 -6.948 303 1HG GLU 66 2HG GLU 66 7.506 -10.356 -7.072 304 2HG GLU 66 1HG GLU 66 8.049 -11.928 -7.651 305 H GLN 67 H GLN 67 11.761 -11.047 -5.297 306 HA GLN 67 HA GLN 67 13.967 -9.262 -6.138 307 1HB GLN 67 2HB GLN 67 13.148 -9.732 -3.323 308 2HB GLN 67 1HB GLN 67 14.874 -9.886 -3.647 309 1HG GLN 67 2HG GLN 67 15.092 -7.663 -4.294 310 2HG GLN 67 1HG GLN 67 13.397 -7.525 -4.762 311 1HE2 GLN 67 1HE2 GLN 67 12.429 -6.047 -3.364 312 2HE2 GLN 67 2HE2 GLN 67 12.642 -6.020 -1.679 313 H LYS 68 H LYS 68 16.007 -10.392 -6.247 314 HA LYS 68 HA LYS 68 15.687 -13.360 -6.262 315 1HB LYS 68 2HB LYS 68 17.490 -11.500 -7.804 316 2HB LYS 68 1HB LYS 68 17.803 -13.229 -7.714 317 1HG LYS 68 2HG LYS 68 16.151 -13.710 -9.179 318 2HG LYS 68 1HG LYS 68 15.007 -12.648 -8.361 319 1HD LYS 68 2HD LYS 68 15.388 -11.819 -10.621 320 2HD LYS 68 1HD LYS 68 16.096 -10.690 -9.466 321 1HE LYS 68 2HE LYS 68 17.732 -11.003 -11.187 322 2HE LYS 68 1HE LYS 68 18.298 -11.925 -9.795 323 1HZ LYS 68 1HZ LYS 68 18.296 -13.047 -12.081 324 2HZ LYS 68 2HZ LYS 68 16.617 -13.190 -11.862 325 3HZ LYS 68 3HZ LYS 68 17.685 -13.920 -10.762 326 H ASP 69 H ASP 69 17.949 -14.464 -5.864 327 HA ASP 69 HA ASP 69 18.807 -13.645 -3.213 328 1HB ASP 69 2HB ASP 69 19.278 -15.963 -5.014 329 2HB ASP 69 1HB ASP 69 20.508 -15.636 -3.794 330 H GLY 70 H GLY 70 19.760 -12.660 -6.302 331 1HA GLY 70 2HA GLY 70 22.597 -12.266 -5.513 332 2HA GLY 70 1HA GLY 70 21.945 -12.045 -7.135 333 H ASP 71 H ASP 71 20.420 -10.744 -4.242 334 HA ASP 71 HA ASP 71 19.957 -8.534 -3.611 335 1HB ASP 71 2HB ASP 71 22.714 -8.297 -4.810 336 2HB ASP 71 1HB ASP 71 21.853 -6.868 -4.242 337 H ILE 72 H ILE 72 18.608 -9.344 -5.818 338 HA ILE 72 HA ILE 72 18.659 -6.930 -7.579 339 HB ILE 72 HB ILE 72 17.864 -9.710 -8.466 340 1HG1 ILE 72 2HG1 ILE 72 20.550 -8.303 -8.612 341 2HG1 ILE 72 1HG1 ILE 72 20.199 -9.836 -7.830 342 1HG2 ILE 72 1HG2 ILE 72 18.219 -8.693 -10.712 343 2HG2 ILE 72 2HG2 ILE 72 18.573 -7.155 -9.931 344 3HG2 ILE 72 3HG2 ILE 72 16.964 -7.862 -9.794 345 1HD1 ILE 72 1HD1 ILE 72 20.978 -9.375 -10.549 346 2HD1 ILE 72 2HD1 ILE 72 19.356 -10.067 -10.544 347 3HD1 ILE 72 3HD1 ILE 72 20.677 -10.914 -9.743 348 H SER 73 H SER 73 16.506 -6.416 -8.512 349 HA SER 73 HA SER 73 14.288 -7.365 -6.741 350 1HB SER 73 2HB SER 73 14.820 -4.643 -7.941 351 2HB SER 73 1HB SER 73 13.253 -5.095 -7.277 352 HG SER 73 HG SER 73 14.051 -4.914 -5.338 353 H ILE 74 H ILE 74 12.112 -7.180 -7.817 354 HA ILE 74 HA ILE 74 12.158 -7.348 -10.771 355 HB ILE 74 HB ILE 74 11.290 -9.596 -8.935 356 1HG1 ILE 74 2HG1 ILE 74 13.385 -9.414 -11.117 357 2HG1 ILE 74 1HG1 ILE 74 13.688 -9.535 -9.390 358 1HG2 ILE 74 1HG2 ILE 74 9.657 -9.263 -10.784 359 2HG2 ILE 74 2HG2 ILE 74 10.538 -10.781 -10.947 360 3HG2 ILE 74 3HG2 ILE 74 10.977 -9.396 -11.947 361 1HD1 ILE 74 1HD1 ILE 74 13.385 -11.669 -11.216 362 2HD1 ILE 74 2HD1 ILE 74 11.939 -11.683 -10.207 363 3HD1 ILE 74 3HD1 ILE 74 13.535 -11.776 -9.462 364 H LEU 75 H LEU 75 10.851 -5.419 -10.624 365 HA LEU 75 HA LEU 75 8.321 -5.513 -9.162 366 1HB LEU 75 2HB LEU 75 9.775 -3.427 -9.493 367 2HB LEU 75 1HB LEU 75 9.167 -3.404 -11.142 368 HG LEU 75 HG LEU 75 6.859 -3.752 -9.620 369 1HD1 LEU 75 1HD1 LEU 75 6.950 -2.484 -7.704 370 2HD1 LEU 75 2HD1 LEU 75 8.198 -1.415 -8.342 371 3HD1 LEU 75 3HD1 LEU 75 8.631 -3.014 -7.740 372 1HD2 LEU 75 1HD2 LEU 75 6.833 -1.089 -10.076 373 2HD2 LEU 75 2HD2 LEU 75 6.593 -2.273 -11.361 374 3HD2 LEU 75 3HD2 LEU 75 8.179 -1.543 -11.120 375 H GLU 76 H GLU 76 6.849 -6.871 -10.047 376 HA GLU 76 HA GLU 76 6.441 -6.791 -12.999 377 1HB GLU 76 2HB GLU 76 5.314 -8.770 -10.995 378 2HB GLU 76 1HB GLU 76 5.302 -8.917 -12.751 379 1HG GLU 76 2HG GLU 76 7.447 -9.668 -12.823 380 2HG GLU 76 1HG GLU 76 7.994 -8.509 -11.616 381 H LEU 77 H LEU 77 4.364 -6.270 -13.820 382 HA LEU 77 HA LEU 77 2.274 -5.547 -11.829 383 1HB LEU 77 2HB LEU 77 1.846 -3.422 -13.140 384 2HB LEU 77 1HB LEU 77 3.348 -3.433 -12.218 385 HG LEU 77 HG LEU 77 3.383 -4.367 -15.072 386 1HD1 LEU 77 1HD1 LEU 77 2.204 -2.028 -14.675 387 2HD1 LEU 77 2HD1 LEU 77 3.389 -2.226 -15.966 388 3HD1 LEU 77 3HD1 LEU 77 3.862 -1.479 -14.440 389 1HD2 LEU 77 1HD2 LEU 77 5.280 -3.278 -13.023 390 2HD2 LEU 77 2HD2 LEU 77 5.638 -3.000 -14.728 391 3HD2 LEU 77 3HD2 LEU 77 5.482 -4.646 -14.117 392 H ASN 78 H ASN 78 0.307 -6.266 -12.478 393 HA ASN 78 HA ASN 78 0.037 -7.444 -15.172 394 1HB ASN 78 2HB ASN 78 -2.053 -7.317 -12.995 395 2HB ASN 78 1HB ASN 78 -1.948 -8.451 -14.325 396 1HD2 ASN 78 1HD2 ASN 78 1.046 -8.832 -13.891 397 2HD2 ASN 78 2HD2 ASN 78 1.155 -9.809 -12.519 398 H VAL 79 H VAL 79 -1.426 -6.633 -16.712 399 HA VAL 79 HA VAL 79 -2.777 -4.065 -15.983 400 HB VAL 79 HB VAL 79 -1.635 -4.754 -18.698 401 1HG1 VAL 79 1HG1 VAL 79 -3.000 -2.382 -17.461 402 2HG1 VAL 79 2HG1 VAL 79 -3.298 -3.144 -19.023 403 3HG1 VAL 79 3HG1 VAL 79 -1.863 -2.147 -18.789 404 1HG2 VAL 79 1HG2 VAL 79 0.066 -4.460 -16.788 405 2HG2 VAL 79 2HG2 VAL 79 -0.490 -2.790 -16.703 406 3HG2 VAL 79 3HG2 VAL 79 0.258 -3.396 -18.180 407 H THR 80 H THR 80 -4.761 -5.131 -15.592 408 HA THR 80 HA THR 80 -5.936 -6.911 -17.584 409 HB THR 80 HB THR 80 -7.256 -5.542 -15.222 410 HG1 THR 80 HG1 THR 80 -5.890 -8.010 -15.472 411 1HG2 THR 80 1HG2 THR 80 -8.992 -7.119 -15.456 412 2HG2 THR 80 2HG2 THR 80 -8.021 -8.166 -16.491 413 3HG2 THR 80 3HG2 THR 80 -8.644 -6.638 -17.116 414 H LEU 81 H LEU 81 -6.131 -5.704 -19.518 415 HA LEU 81 HA LEU 81 -7.492 -3.109 -19.502 416 1HB LEU 81 2HB LEU 81 -6.613 -4.893 -21.797 417 2HB LEU 81 1HB LEU 81 -7.168 -3.230 -21.944 418 HG LEU 81 HG LEU 81 -4.966 -3.694 -20.010 419 1HD1 LEU 81 1HD1 LEU 81 -4.480 -5.131 -22.085 420 2HD1 LEU 81 2HD1 LEU 81 -3.254 -3.942 -21.645 421 3HD1 LEU 81 3HD1 LEU 81 -4.369 -3.612 -22.972 422 1HD2 LEU 81 1HD2 LEU 81 -5.652 -1.633 -22.124 423 2HD2 LEU 81 2HD2 LEU 81 -4.168 -1.577 -21.172 424 3HD2 LEU 81 3HD2 LEU 81 -5.735 -1.442 -20.372 425 HA PRO 82 HA PRO 82 -11.490 -5.085 -20.048 426 1HB PRO 82 2HB PRO 82 -12.950 -2.819 -20.465 427 2HB PRO 82 1HB PRO 82 -12.349 -3.309 -18.874 428 1HG PRO 82 2HG PRO 82 -11.449 -1.117 -20.621 429 2HG PRO 82 1HG PRO 82 -11.272 -1.312 -18.873 430 1HD PRO 82 2HD PRO 82 -9.281 -1.768 -20.869 431 2HD PRO 82 1HD PRO 82 -9.154 -2.087 -19.126 432 H GLU 83 H GLU 83 -13.438 -4.732 -21.707 433 HA GLU 83 HA GLU 83 -12.459 -5.353 -24.322 434 1HB GLU 83 2HB GLU 83 -15.239 -4.283 -23.831 435 2HB GLU 83 1HB GLU 83 -14.717 -5.482 -25.011 436 1HG GLU 83 2HG GLU 83 -13.979 -6.702 -22.699 437 2HG GLU 83 1HG GLU 83 -15.398 -5.806 -22.158 438 H ALA 84 H ALA 84 -13.902 -3.882 -26.131 439 HA ALA 84 HA ALA 84 -13.871 -1.079 -25.741 440 1HB ALA 84 1HB ALA 84 -11.312 -1.883 -25.801 441 2HB ALA 84 2HB ALA 84 -11.819 -0.349 -26.508 442 3HB ALA 84 3HB ALA 84 -11.589 -1.761 -27.539 443 H GLU 85 H GLU 85 -15.857 -1.497 -26.901 444 HA GLU 85 HA GLU 85 -15.998 -2.711 -29.474 445 1HB GLU 85 2HB GLU 85 -17.770 -0.566 -28.263 446 2HB GLU 85 1HB GLU 85 -18.177 -1.548 -29.672 447 1HG GLU 85 2HG GLU 85 -17.374 -2.908 -27.118 448 2HG GLU 85 1HG GLU 85 -19.016 -2.283 -27.286 449 H GLU 86 H GLU 86 -14.237 -1.854 -30.714 450 HA GLU 86 HA GLU 86 -13.261 -0.385 -32.259 451 1HB GLU 86 2HB GLU 86 -15.896 -0.293 -32.789 452 2HB GLU 86 1HB GLU 86 -15.660 1.382 -32.291 453 1HG GLU 86 2HG GLU 86 -13.653 0.228 -34.170 454 2HG GLU 86 1HG GLU 86 -15.253 0.585 -34.821 455 H LEU 87 H LEU 87 -11.756 0.464 -30.724 456 HA LEU 87 HA LEU 87 -12.398 3.244 -29.848 457 1HB LEU 87 2HB LEU 87 -12.442 1.368 -28.002 458 2HB LEU 87 1HB LEU 87 -10.686 1.473 -28.129 459 HG LEU 87 HG LEU 87 -11.247 4.099 -27.997 460 1HD1 LEU 87 1HD1 LEU 87 -13.493 2.672 -26.550 461 2HD1 LEU 87 2HD1 LEU 87 -13.639 3.892 -27.815 462 3HD1 LEU 87 3HD1 LEU 87 -13.039 4.343 -26.219 463 1HD2 LEU 87 1HD2 LEU 87 -11.307 2.563 -25.416 464 2HD2 LEU 87 2HD2 LEU 87 -10.381 4.005 -25.832 465 3HD2 LEU 87 3HD2 LEU 87 -9.893 2.431 -26.462 466 H LYS 88 HN LYS 88 -10.707 4.688 -30.132 467 HA LYS 88 HA LYS 88 -8.290 3.607 -31.497 468 1HB LYS 88 2HB LYS 88 -7.942 5.996 -32.184 469 2HB LYS 88 1HB LYS 88 -9.467 5.320 -32.758 470 1HG LYS 88 2HG LYS 88 -10.731 6.656 -31.392 471 2HG LYS 88 1HG LYS 88 -9.542 6.627 -30.090 472 1HD LYS 88 2HD LYS 88 -8.092 8.155 -31.411 473 2HD LYS 88 1HD LYS 88 -9.336 8.228 -32.658 474 1HE LYS 88 2HE LYS 88 -10.741 9.526 -31.377 475 2HE LYS 88 1HE LYS 88 -10.181 8.821 -29.861 476 1HZ LYS 88 1HZ LYS 88 -8.913 10.922 -31.498 477 2HZ LYS 88 2HZ LYS 88 -7.996 10.001 -30.404 478 3HZ LYS 88 3HZ LYS 88 -9.292 10.946 -29.845 479 1H ARG 31 1H ARG 31 4.148 -10.542 -34.182 480 2H ARG 31 2H ARG 31 3.493 -11.964 -33.522 481 3H ARG 31 3H ARG 31 5.157 -11.651 -33.388 482 HA ARG 31 HA ARG 31 4.349 -11.115 -31.293 483 1HB ARG 31 2HB ARG 31 5.602 -9.251 -32.708 484 2HB ARG 31 1HB ARG 31 4.055 -8.417 -32.559 485 1HG ARG 31 2HG ARG 31 4.148 -8.694 -30.103 486 2HG ARG 31 1HG ARG 31 5.709 -9.500 -30.259 487 1HD ARG 31 2HD ARG 31 5.468 -6.854 -31.587 488 2HD ARG 31 1HD ARG 31 5.470 -6.842 -29.823 489 HE ARG 31 HE ARG 31 7.595 -8.516 -30.625 490 1HH1 ARG 31 1HH2 ARG 31 6.663 -5.157 -30.912 491 2HH1 ARG 31 2HH2 ARG 31 8.300 -4.605 -30.981 492 1HH2 ARG 31 1HH1 ARG 31 9.697 -7.759 -30.718 493 2HH2 ARG 31 2HH1 ARG 31 10.000 -6.060 -30.872 494 H SER 32 H SER 32 2.376 -11.636 -30.471 495 HA SER 32 HA SER 32 -0.129 -10.999 -31.679 496 1HB SER 32 2HB SER 32 0.448 -11.648 -28.778 497 2HB SER 32 1HB SER 32 -1.123 -11.745 -29.568 498 HG SER 32 HG SER 32 -0.140 -13.776 -29.548 499 H ASP 33 H ASP 33 2.010 -9.042 -29.807 500 HA ASP 33 HA ASP 33 -0.102 -7.267 -28.841 501 1HB ASP 33 2HB ASP 33 2.889 -6.829 -28.784 502 2HB ASP 33 1HB ASP 33 1.674 -5.987 -27.822 503 H ALA 34 H ALA 34 0.805 -7.694 -31.867 504 HA ALA 34 HA ALA 34 1.412 -4.909 -32.567 505 1HB ALA 34 1HB ALA 34 2.611 -6.638 -33.789 506 2HB ALA 34 2HB ALA 34 1.512 -5.817 -34.898 507 3HB ALA 34 3HB ALA 34 1.092 -7.405 -34.255 508 H GLU 35 H GLU 35 -1.338 -6.920 -32.179 509 HA GLU 35 HA GLU 35 -3.074 -5.927 -34.185 510 1HB GLU 35 2HB GLU 35 -3.887 -6.780 -31.395 511 2HB GLU 35 1HB GLU 35 -4.883 -6.796 -32.845 512 1HG GLU 35 2HG GLU 35 -2.374 -8.285 -33.185 513 2HG GLU 35 1HG GLU 35 -3.381 -8.930 -31.890 514 HA PRO 36 HA PRO 36 -4.381 -2.450 -31.164 515 1HB PRO 36 2HB PRO 36 -2.927 -2.048 -28.887 516 2HB PRO 36 1HB PRO 36 -4.291 -3.171 -28.986 517 1HG PRO 36 2HG PRO 36 -1.422 -3.740 -28.760 518 2HG PRO 36 1HG PRO 36 -2.808 -4.775 -28.395 519 1HD PRO 36 2HD PRO 36 -1.142 -4.826 -30.732 520 2HD PRO 36 1HD PRO 36 -2.537 -5.851 -30.373 521 H HIS 37 H HIS 37 -0.830 -2.836 -30.988 522 HA HIS 37 HA HIS 37 0.884 -1.485 -31.829 523 1HB HIS 37 2HB HIS 37 -1.008 -0.944 -33.620 524 2HB HIS 37 1HB HIS 37 -0.995 0.622 -32.812 525 HD1 HIS 37 HD1 HIS 37 1.089 2.099 -33.094 526 HD2 HIS 37 HD2 HIS 37 1.456 -1.619 -34.944 527 HE1 HIS 37 HE1 HIS 37 3.166 2.220 -34.540 528 H TYR 38 H TYR 38 -1.253 -0.645 -29.418 529 HA TYR 38 HA TYR 38 0.368 1.760 -28.710 530 1HB TYR 38 2HB TYR 38 -1.636 2.399 -27.275 531 2HB TYR 38 1HB TYR 38 -1.893 2.503 -29.015 532 HD1 TYR 38 HD1 TYR 38 -2.577 0.498 -25.974 533 HD2 TYR 38 HD2 TYR 38 -3.424 1.031 -30.151 534 HE1 TYR 38 HE1 TYR 38 -4.488 -1.072 -25.788 535 HE2 TYR 38 HE2 TYR 38 -5.333 -0.541 -29.965 536 HH TYR 38 HH TYR 38 -6.734 -1.403 -27.151 537 H LEU 39 H LEU 39 -1.114 -1.240 -27.595 538 HA LEU 39 HA LEU 39 -0.527 -1.159 -24.854 539 1HB LEU 39 2HB LEU 39 -1.368 -3.093 -26.731 540 2HB LEU 39 1HB LEU 39 0.041 -3.791 -25.939 541 HG LEU 39 HG LEU 39 -1.980 -4.383 -24.690 542 1HD1 LEU 39 1HD1 LEU 39 0.245 -3.578 -23.529 543 2HD1 LEU 39 2HD1 LEU 39 -1.198 -3.858 -22.555 544 3HD1 LEU 39 3HD1 LEU 39 -0.748 -2.215 -23.013 545 1HD2 LEU 39 1HD2 LEU 39 -3.015 -2.185 -23.509 546 2HD2 LEU 39 2HD2 LEU 39 -3.641 -2.837 -25.025 547 3HD2 LEU 39 3HD2 LEU 39 -2.518 -1.478 -25.046 548 HA PRO 40 HA PRO 40 3.890 -2.870 -25.783 549 1HB PRO 40 2HB PRO 40 4.798 -2.739 -28.362 550 2HB PRO 40 1HB PRO 40 3.978 -4.150 -27.675 551 1HG PRO 40 2HG PRO 40 2.948 -2.095 -29.550 552 2HG PRO 40 1HG PRO 40 2.519 -3.803 -29.394 553 1HD PRO 40 2HD PRO 40 1.003 -1.670 -28.444 554 2HD PRO 40 1HD PRO 40 0.835 -3.357 -27.914 555 H GLN 41 H GLN 41 2.590 -0.020 -27.240 556 HA GLN 41 HA GLN 41 5.109 1.444 -27.423 557 1HB GLN 41 2HB GLN 41 3.191 2.047 -28.853 558 2HB GLN 41 1HB GLN 41 2.215 2.382 -27.425 559 1HG GLN 41 2HG GLN 41 3.030 4.494 -28.253 560 2HG GLN 41 1HG GLN 41 3.922 4.130 -26.777 561 1HE2 GLN 41 1HE2 GLN 41 5.915 5.171 -27.303 562 2HE2 GLN 41 2HE2 GLN 41 6.884 4.710 -28.617 563 H LEU 42 H LEU 42 2.532 0.967 -25.074 564 HA LEU 42 HA LEU 42 3.435 3.042 -23.280 565 1HB LEU 42 2HB LEU 42 1.587 0.684 -22.845 566 2HB LEU 42 1HB LEU 42 1.853 1.958 -21.682 567 HG LEU 42 HG LEU 42 0.275 3.239 -22.645 568 1HD1 LEU 42 1HD1 LEU 42 2.036 3.980 -24.317 569 2HD1 LEU 42 2HD1 LEU 42 0.369 4.108 -24.872 570 3HD1 LEU 42 3HD1 LEU 42 1.378 2.777 -25.424 571 1HD2 LEU 42 1HD2 LEU 42 -1.075 1.390 -23.041 572 2HD2 LEU 42 2HD2 LEU 42 0.009 0.733 -24.266 573 3HD2 LEU 42 3HD2 LEU 42 -1.006 2.124 -24.642 574 H ARG 43 H ARG 43 3.782 -0.512 -23.435 575 HA ARG 43 HA ARG 43 5.151 -0.799 -20.952 576 1HB ARG 43 2HB ARG 43 5.860 -2.969 -21.767 577 2HB ARG 43 1HB ARG 43 4.210 -2.695 -22.286 578 1HG ARG 43 2HG ARG 43 5.054 -1.958 -24.500 579 2HG ARG 43 1HG ARG 43 6.691 -2.350 -23.980 580 1HD ARG 43 2HD ARG 43 5.784 -4.698 -23.456 581 2HD ARG 43 1HD ARG 43 4.370 -4.232 -24.403 582 HE ARG 43 HE ARG 43 6.898 -3.766 -25.791 583 1HH1 ARG 43 1HH2 ARG 43 4.372 -6.085 -25.096 584 2HH1 ARG 43 2HH2 ARG 43 4.697 -7.013 -26.518 585 1HH2 ARG 43 2HH1 ARG 43 7.283 -4.999 -27.614 586 2HH2 ARG 43 1HH1 ARG 43 6.327 -6.407 -27.929 587 H LYS 44 H LYS 44 6.372 -0.199 -24.260 588 HA LYS 44 HA LYS 44 9.122 -0.234 -23.503 589 1HB LYS 44 2HB LYS 44 9.531 0.889 -25.641 590 2HB LYS 44 1HB LYS 44 8.354 -0.396 -25.865 591 1HG LYS 44 2HG LYS 44 6.534 1.190 -25.875 592 2HG LYS 44 1HG LYS 44 7.608 2.507 -25.420 593 1HD LYS 44 2HD LYS 44 7.225 2.658 -27.803 594 2HD LYS 44 1HD LYS 44 8.883 2.109 -27.552 595 1HE LYS 44 2HE LYS 44 8.290 -0.168 -28.034 596 2HE LYS 44 1HE LYS 44 6.569 0.213 -28.011 597 1HZ LYS 44 1HZ LYS 44 7.193 1.853 -29.873 598 2HZ LYS 44 2HZ LYS 44 7.063 0.200 -30.248 599 3HZ LYS 44 3HZ LYS 44 8.592 0.908 -30.035 600 H ASP 45 H ASP 45 6.586 2.199 -23.400 601 HA ASP 45 HA ASP 45 8.247 4.471 -22.919 602 1HB ASP 45 2HB ASP 45 5.375 3.851 -22.219 603 2HB ASP 45 1HB ASP 45 6.128 5.393 -21.843 604 H ILE 46 H ILE 46 6.613 2.173 -20.687 605 HA ILE 46 HA ILE 46 7.504 3.441 -18.286 606 HB ILE 46 HB ILE 46 5.726 1.649 -18.420 607 1HG1 ILE 46 2HG1 ILE 46 7.961 1.120 -16.441 608 2HG1 ILE 46 1HG1 ILE 46 6.798 2.437 -16.304 609 1HG2 ILE 46 1HG2 ILE 46 6.976 -0.706 -17.952 610 2HG2 ILE 46 2HG2 ILE 46 8.082 -0.014 -19.127 611 3HG2 ILE 46 3HG2 ILE 46 6.386 -0.220 -19.534 612 1HD1 ILE 46 1HD1 ILE 46 5.104 1.049 -15.662 613 2HD1 ILE 46 2HD1 ILE 46 6.427 -0.010 -15.180 614 3HD1 ILE 46 3HD1 ILE 46 5.627 -0.251 -16.731 615 H LEU 47 H LEU 47 9.119 1.279 -20.526 616 HA LEU 47 HA LEU 47 11.342 0.601 -18.839 617 1HB LEU 47 2HB LEU 47 10.878 0.634 -21.818 618 2HB LEU 47 1HB LEU 47 12.479 0.297 -21.164 619 HG LEU 47 HG LEU 47 10.001 -1.195 -20.278 620 1HD1 LEU 47 1HD1 LEU 47 10.816 -3.022 -21.765 621 2HD1 LEU 47 2HD1 LEU 47 12.033 -1.922 -22.410 622 3HD1 LEU 47 3HD1 LEU 47 10.321 -1.592 -22.671 623 1HD2 LEU 47 1HD2 LEU 47 12.028 -2.866 -19.827 624 2HD2 LEU 47 2HD2 LEU 47 11.614 -1.607 -18.664 625 3HD2 LEU 47 3HD2 LEU 47 12.951 -1.363 -19.789 626 H GLU 48 H GLU 48 10.758 3.147 -21.244 627 HA GLU 48 HA GLU 48 13.312 4.439 -20.890 628 1HB GLU 48 2HB GLU 48 10.758 5.790 -21.786 629 2HB GLU 48 1HB GLU 48 12.412 6.251 -22.176 630 1HG GLU 48 2HG GLU 48 11.613 3.502 -22.960 631 2HG GLU 48 1HG GLU 48 10.844 4.818 -23.830 632 H VAL 49 H VAL 49 10.096 4.747 -19.490 633 HA VAL 49 HA VAL 49 10.544 7.105 -17.981 634 HB VAL 49 HB VAL 49 8.778 4.729 -17.292 635 1HG1 VAL 49 1HG1 VAL 49 8.460 7.606 -16.409 636 2HG1 VAL 49 2HG1 VAL 49 9.317 6.411 -15.439 637 3HG1 VAL 49 3HG1 VAL 49 7.607 6.187 -15.804 638 1HG2 VAL 49 1HG2 VAL 49 8.619 6.394 -19.500 639 2HG2 VAL 49 2HG2 VAL 49 7.549 7.189 -18.348 640 3HG2 VAL 49 3HG2 VAL 49 7.266 5.508 -18.799 641 H ILE 50 H ILE 50 10.806 3.665 -16.970 642 HA ILE 50 HA ILE 50 11.986 4.151 -14.421 643 HB ILE 50 HB ILE 50 12.515 1.815 -16.289 644 1HG1 ILE 50 2HG1 ILE 50 10.563 1.759 -14.014 645 2HG1 ILE 50 1HG1 ILE 50 10.065 2.502 -15.533 646 1HG2 ILE 50 1HG2 ILE 50 13.053 0.603 -14.224 647 2HG2 ILE 50 2HG2 ILE 50 12.726 2.051 -13.271 648 3HG2 ILE 50 3HG2 ILE 50 14.096 2.015 -14.383 649 1HD1 ILE 50 1HD1 ILE 50 9.758 -0.117 -15.092 650 2HD1 ILE 50 2HD1 ILE 50 11.421 -0.154 -15.676 651 3HD1 ILE 50 3HD1 ILE 50 10.144 0.510 -16.694 652 H CYS 51 H CYS 51 13.278 4.405 -17.642 653 HA CYS 51 HA CYS 51 16.065 4.319 -16.893 654 1HB CYS 51 2HB CYS 51 14.956 3.966 -19.242 655 2HB CYS 51 1HB CYS 51 15.014 5.726 -19.340 656 HG CYS 51 HG CYS 51 17.299 4.195 -20.093 657 H LYS 52 H LYS 52 13.738 6.917 -17.618 658 HA LYS 52 HA LYS 52 15.468 9.134 -17.287 659 1HB LYS 52 2HB LYS 52 12.545 8.989 -16.505 660 2HB LYS 52 1HB LYS 52 13.461 10.457 -16.825 661 1HG LYS 52 2HG LYS 52 13.581 10.031 -19.125 662 2HG LYS 52 1HG LYS 52 13.273 8.307 -18.922 663 1HD LYS 52 2HD LYS 52 11.156 8.915 -19.569 664 2HD LYS 52 1HD LYS 52 10.992 9.291 -17.854 665 1HE LYS 52 2HE LYS 52 10.231 11.237 -18.991 666 2HE LYS 52 1HE LYS 52 11.859 11.630 -18.439 667 1HZ LYS 52 1HZ LYS 52 12.720 11.123 -20.605 668 2HZ LYS 52 2HZ LYS 52 11.458 12.247 -20.770 669 3HZ LYS 52 3HZ LYS 52 11.198 10.611 -21.149 670 H TYR 53 H TYR 53 13.823 7.154 -14.892 671 HA TYR 53 HA TYR 53 14.821 8.898 -12.710 672 1HB TYR 53 2HB TYR 53 12.864 6.580 -12.696 673 2HB TYR 53 1HB TYR 53 13.304 7.538 -11.296 674 HD1 TYR 53 HD1 TYR 53 11.864 9.275 -10.703 675 HD2 TYR 53 HD2 TYR 53 12.101 8.086 -14.814 676 HE1 TYR 53 HE1 TYR 53 10.072 10.890 -11.288 677 HE2 TYR 53 HE2 TYR 53 10.325 9.693 -15.401 678 HH TYR 53 HH TYR 53 9.407 11.845 -14.425 679 H VAL 54 H VAL 54 15.521 5.906 -14.312 680 HA VAL 54 HA VAL 54 17.657 5.341 -12.355 681 HB VAL 54 HB VAL 54 15.856 3.023 -13.057 682 1HG1 VAL 54 1HG1 VAL 54 17.289 3.463 -10.460 683 2HG1 VAL 54 2HG1 VAL 54 18.225 3.027 -11.889 684 3HG1 VAL 54 3HG1 VAL 54 16.952 1.953 -11.307 685 1HG2 VAL 54 1HG2 VAL 54 14.622 3.352 -10.934 686 2HG2 VAL 54 2HG2 VAL 54 14.342 4.697 -12.040 687 3HG2 VAL 54 3HG2 VAL 54 15.458 4.886 -10.687 688 H GLN 55 H GLN 55 17.658 2.482 -13.801 689 HA GLN 55 HA GLN 55 18.092 3.056 -16.577 690 1HB GLN 55 2HB GLN 55 20.278 3.632 -14.756 691 2HB GLN 55 1HB GLN 55 20.737 2.375 -15.904 692 1HG GLN 55 2HG GLN 55 20.460 3.764 -17.746 693 2HG GLN 55 1HG GLN 55 19.304 4.806 -16.916 694 1HE2 GLN 55 1HE2 GLN 55 20.152 6.776 -16.232 695 2HE2 GLN 55 2HE2 GLN 55 21.796 7.079 -15.934 696 H ILE 56 H ILE 56 17.304 1.151 -17.248 697 HA ILE 56 HA ILE 56 18.652 -1.342 -16.344 698 HB ILE 56 HB ILE 56 16.291 -2.418 -16.451 699 1HG1 ILE 56 2HG1 ILE 56 15.196 0.137 -15.433 700 2HG1 ILE 56 1HG1 ILE 56 15.525 0.120 -17.165 701 1HG2 ILE 56 1HG2 ILE 56 16.456 -0.648 -14.072 702 2HG2 ILE 56 2HG2 ILE 56 17.868 -1.649 -14.409 703 3HG2 ILE 56 3HG2 ILE 56 16.292 -2.401 -14.166 704 1HD1 ILE 56 1HD1 ILE 56 14.334 -2.280 -16.954 705 2HD1 ILE 56 2HD1 ILE 56 13.414 -0.799 -17.215 706 3HD1 ILE 56 3HD1 ILE 56 13.556 -1.475 -15.593 707 H ASP 57 H ASP 57 18.036 -3.186 -17.866 708 HA ASP 57 HA ASP 57 17.920 -2.113 -20.642 709 1HB ASP 57 2HB ASP 57 19.082 -4.573 -19.377 710 2HB ASP 57 1HB ASP 57 18.607 -4.638 -21.074 711 HA PRO 58 HA PRO 58 13.953 -3.959 -21.319 712 1HB PRO 58 2HB PRO 58 14.150 -4.871 -23.892 713 2HB PRO 58 1HB PRO 58 14.001 -3.158 -23.475 714 1HG PRO 58 2HG PRO 58 16.391 -4.687 -24.353 715 2HG PRO 58 1HG PRO 58 15.971 -2.989 -24.627 716 1HD PRO 58 2HD PRO 58 17.813 -3.899 -22.739 717 2HD PRO 58 1HD PRO 58 17.030 -2.304 -22.718 718 H GLU 59 H GLU 59 16.771 -5.938 -22.007 719 HA GLU 59 HA GLU 59 15.394 -8.474 -22.107 720 1HB GLU 59 2HB GLU 59 18.260 -7.877 -21.302 721 2HB GLU 59 1HB GLU 59 17.621 -9.453 -21.773 722 1HG GLU 59 2HG GLU 59 17.563 -7.009 -23.564 723 2HG GLU 59 1HG GLU 59 18.820 -8.243 -23.629 724 H MET 60 H MET 60 16.052 -6.270 -19.545 725 HA MET 60 HA MET 60 16.046 -8.346 -17.450 726 1HB MET 60 2HB MET 60 16.337 -5.343 -17.498 727 2HB MET 60 1HB MET 60 16.025 -6.191 -15.988 728 1HG MET 60 2HG MET 60 18.154 -7.430 -17.602 729 2HG MET 60 1HG MET 60 18.526 -5.782 -17.102 730 1HE MET 60 1HE MET 60 17.987 -4.883 -15.017 731 2HE MET 60 2HE MET 60 19.576 -5.367 -14.428 732 3HE MET 60 3HE MET 60 18.151 -5.656 -13.434 733 H VAL 61 H VAL 61 13.845 -6.163 -19.060 734 HA VAL 61 HA VAL 61 11.763 -6.623 -16.992 735 HB VAL 61 HB VAL 61 11.664 -4.859 -19.458 736 1HG1 VAL 61 1HG1 VAL 61 9.488 -5.619 -18.381 737 2HG1 VAL 61 2HG1 VAL 61 9.727 -3.873 -18.439 738 3HG1 VAL 61 3HG1 VAL 61 9.997 -4.750 -16.933 739 1HG2 VAL 61 1HG2 VAL 61 12.785 -4.464 -16.726 740 2HG2 VAL 61 2HG2 VAL 61 11.840 -3.133 -17.392 741 3HG2 VAL 61 3HG2 VAL 61 13.261 -3.723 -18.254 742 H THR 62 H THR 62 10.344 -8.272 -17.320 743 HA THR 62 HA THR 62 10.190 -9.547 -19.960 744 HB THR 62 HB THR 62 8.671 -10.357 -17.477 745 HG1 THR 62 HG1 THR 62 10.919 -10.210 -17.038 746 1HG2 THR 62 1HG2 THR 62 9.130 -12.637 -18.656 747 2HG2 THR 62 2HG2 THR 62 9.452 -11.645 -20.078 748 3HG2 THR 62 3HG2 THR 62 7.871 -11.583 -19.300 749 H VAL 63 H VAL 63 8.083 -10.020 -20.928 750 HA VAL 63 HA VAL 63 5.847 -8.262 -20.082 751 HB VAL 63 HB VAL 63 6.910 -8.370 -22.916 752 1HG1 VAL 63 1HG1 VAL 63 5.007 -6.288 -21.967 753 2HG1 VAL 63 2HG1 VAL 63 4.357 -7.914 -22.170 754 3HG1 VAL 63 3HG1 VAL 63 5.105 -7.087 -23.535 755 1HG2 VAL 63 1HG2 VAL 63 7.412 -5.918 -22.434 756 2HG2 VAL 63 2HG2 VAL 63 8.461 -7.085 -21.627 757 3HG2 VAL 63 3HG2 VAL 63 7.161 -6.298 -20.729 758 H GLN 64 H GLN 64 4.027 -9.485 -20.075 759 HA GLN 64 HA GLN 64 3.719 -11.629 -22.091 760 1HB GLN 64 2HB GLN 64 3.086 -13.259 -20.330 761 2HB GLN 64 1HB GLN 64 4.750 -12.712 -20.132 762 1HG GLN 64 2HG GLN 64 3.574 -10.859 -18.614 763 2HG GLN 64 1HG GLN 64 2.348 -12.114 -18.459 764 1HE2 GLN 64 1HE2 GLN 64 3.862 -11.371 -16.194 765 2HE2 GLN 64 2HE2 GLN 64 4.906 -12.641 -15.778 766 H LEU 65 H LEU 65 1.680 -11.587 -22.907 767 HA LEU 65 HA LEU 65 -0.344 -9.978 -21.467 768 1HB LEU 65 2HB LEU 65 -1.526 -10.009 -23.656 769 2HB LEU 65 1HB LEU 65 0.075 -9.290 -23.753 770 HG LEU 65 HG LEU 65 0.061 -12.205 -24.185 771 1HD1 LEU 65 1HD1 LEU 65 -0.759 -11.727 -26.628 772 2HD1 LEU 65 2HD1 LEU 65 -1.592 -10.359 -25.890 773 3HD1 LEU 65 3HD1 LEU 65 -1.953 -12.002 -25.359 774 1HD2 LEU 65 1HD2 LEU 65 1.698 -11.666 -25.788 775 2HD2 LEU 65 2HD2 LEU 65 1.901 -10.399 -24.578 776 3HD2 LEU 65 3HD2 LEU 65 1.025 -10.060 -26.071 777 H GLU 66 H GLU 66 -2.363 -10.802 -20.964 778 HA GLU 66 HA GLU 66 -2.845 -13.692 -21.509 779 1HB GLU 66 2HB GLU 66 -2.948 -12.245 -18.861 780 2HB GLU 66 1HB GLU 66 -3.884 -13.712 -19.129 781 1HG GLU 66 2HG GLU 66 -0.882 -13.435 -19.439 782 2HG GLU 66 1HG GLU 66 -1.703 -14.208 -18.086 783 H GLN 67 H GLN 67 -5.299 -14.115 -20.761 784 HA GLN 67 HA GLN 67 -7.013 -11.759 -21.286 785 1HB GLN 67 2HB GLN 67 -6.510 -13.953 -23.222 786 2HB GLN 67 1HB GLN 67 -8.203 -13.517 -22.991 787 1HG GLN 67 2HG GLN 67 -7.899 -11.355 -23.789 788 2HG GLN 67 1HG GLN 67 -6.186 -11.332 -23.374 789 1HE2 GLN 67 1HE2 GLN 67 -5.027 -11.203 -25.303 790 2HE2 GLN 67 2HE2 GLN 67 -5.345 -12.126 -26.691 791 H LYS 68 H LYS 68 -9.233 -12.146 -20.676 792 HA LYS 68 HA LYS 68 -9.550 -14.524 -18.899 793 1HB LYS 68 2HB LYS 68 -10.805 -11.782 -18.874 794 2HB LYS 68 1HB LYS 68 -11.483 -13.119 -17.953 795 1HG LYS 68 2HG LYS 68 -9.871 -12.985 -16.372 796 2HG LYS 68 1HG LYS 68 -8.589 -12.879 -17.576 797 1HD LYS 68 2HD LYS 68 -8.627 -10.823 -16.267 798 2HD LYS 68 1HD LYS 68 -9.158 -10.469 -17.911 799 1HE LYS 68 2HE LYS 68 -10.699 -9.356 -16.454 800 2HE LYS 68 1HE LYS 68 -11.544 -10.774 -17.075 801 1HZ LYS 68 1HZ LYS 68 -11.619 -10.309 -14.572 802 2HZ LYS 68 2HZ LYS 68 -10.028 -10.904 -14.548 803 3HZ LYS 68 3HZ LYS 68 -11.301 -11.895 -15.080 804 H ASP 69 H ASP 69 -12.017 -15.140 -18.730 805 HA ASP 69 HA ASP 69 -12.864 -15.875 -21.408 806 1HB ASP 69 2HB ASP 69 -13.688 -16.528 -18.626 807 2HB ASP 69 1HB ASP 69 -14.904 -16.728 -19.889 808 H GLY 70 H GLY 70 -13.368 -13.090 -19.562 809 1HA GLY 70 2HA GLY 70 -16.105 -12.645 -20.628 810 2HA GLY 70 1HA GLY 70 -15.309 -11.656 -19.404 811 H ASP 71 H ASP 71 -13.749 -12.663 -22.394 812 HA ASP 71 HA ASP 71 -12.874 -11.405 -24.168 813 1HB ASP 71 2HB ASP 71 -15.428 -9.931 -23.534 814 2HB ASP 71 1HB ASP 71 -14.325 -9.331 -24.770 815 H ILE 72 H ILE 72 -11.577 -11.028 -21.819 816 HA ILE 72 HA ILE 72 -10.992 -8.097 -21.820 817 HB ILE 72 HB ILE 72 -10.744 -9.915 -19.416 818 1HG1 ILE 72 2HG1 ILE 72 -13.053 -8.162 -20.313 819 2HG1 ILE 72 1HG1 ILE 72 -13.091 -9.894 -20.019 820 1HG2 ILE 72 1HG2 ILE 72 -10.717 -7.728 -18.227 821 2HG2 ILE 72 2HG2 ILE 72 -10.791 -6.910 -19.786 822 3HG2 ILE 72 3HG2 ILE 72 -9.383 -7.884 -19.368 823 1HD1 ILE 72 1HD1 ILE 72 -13.562 -7.771 -18.151 824 2HD1 ILE 72 2HD1 ILE 72 -12.129 -8.659 -17.636 825 3HD1 ILE 72 3HD1 ILE 72 -13.652 -9.511 -17.877 826 H SER 73 H SER 73 -8.718 -7.605 -21.219 827 HA SER 73 HA SER 73 -6.878 -9.859 -21.934 828 1HB SER 73 2HB SER 73 -6.740 -6.912 -22.603 829 2HB SER 73 1HB SER 73 -5.355 -7.986 -22.764 830 HG SER 73 HG SER 73 -6.229 -8.815 -24.490 831 H ILE 74 H ILE 74 -4.645 -9.540 -21.023 832 HA ILE 74 HA ILE 74 -4.520 -7.926 -18.547 833 HB ILE 74 HB ILE 74 -4.279 -10.944 -18.647 834 1HG1 ILE 74 2HG1 ILE 74 -6.130 -9.078 -17.141 835 2HG1 ILE 74 1HG1 ILE 74 -6.573 -10.122 -18.483 836 1HG2 ILE 74 1HG2 ILE 74 -2.487 -9.945 -17.237 837 2HG2 ILE 74 2HG2 ILE 74 -3.657 -10.849 -16.275 838 3HG2 ILE 74 3HG2 ILE 74 -3.721 -9.087 -16.313 839 1HD1 ILE 74 1HD1 ILE 74 -6.601 -10.781 -15.735 840 2HD1 ILE 74 2HD1 ILE 74 -5.265 -11.690 -16.440 841 3HD1 ILE 74 3HD1 ILE 74 -6.892 -11.862 -17.098 842 H LEU 75 H LEU 75 -2.848 -6.783 -19.707 843 HA LEU 75 HA LEU 75 -0.504 -8.251 -20.653 844 1HB LEU 75 2HB LEU 75 -1.456 -6.119 -21.714 845 2HB LEU 75 1HB LEU 75 -0.743 -5.261 -20.353 846 HG LEU 75 HG LEU 75 1.326 -6.916 -21.217 847 1HD1 LEU 75 1HD1 LEU 75 1.373 -7.032 -23.512 848 2HD1 LEU 75 2HD1 LEU 75 0.428 -5.558 -23.713 849 3HD1 LEU 75 3HD1 LEU 75 -0.376 -7.069 -23.290 850 1HD2 LEU 75 1HD2 LEU 75 1.948 -4.573 -22.411 851 2HD2 LEU 75 2HD2 LEU 75 2.021 -4.795 -20.662 852 3HD2 LEU 75 3HD2 LEU 75 0.612 -4.029 -21.396 853 H GLU 76 H GLU 76 0.705 -9.104 -19.040 854 HA GLU 76 HA GLU 76 1.326 -7.395 -16.678 855 1HB GLU 76 2HB GLU 76 1.866 -10.356 -17.052 856 2HB GLU 76 1HB GLU 76 1.968 -9.443 -15.549 857 1HG GLU 76 2HG GLU 76 -0.276 -9.532 -15.200 858 2HG GLU 76 1HG GLU 76 -0.648 -9.220 -16.893 859 H LEU 77 H LEU 77 3.519 -6.946 -16.176 860 HA LEU 77 HA LEU 77 5.570 -7.992 -18.060 861 1HB LEU 77 2HB LEU 77 6.529 -5.654 -18.221 862 2HB LEU 77 1HB LEU 77 4.999 -5.886 -19.063 863 HG LEU 77 HG LEU 77 4.967 -4.931 -16.216 864 1HD1 LEU 77 1HD1 LEU 77 6.584 -3.587 -17.827 865 2HD1 LEU 77 2HD1 LEU 77 5.476 -2.733 -16.753 866 3HD1 LEU 77 3HD1 LEU 77 5.066 -2.945 -18.455 867 1HD2 LEU 77 1HD2 LEU 77 3.204 -4.883 -18.639 868 2HD2 LEU 77 2HD2 LEU 77 3.033 -3.589 -17.453 869 3HD2 LEU 77 3HD2 LEU 77 2.793 -5.267 -16.968 870 H ASN 78 H ASN 78 7.380 -8.590 -16.978 871 HA ASN 78 HA ASN 78 7.582 -7.985 -14.095 872 1HB ASN 78 2HB ASN 78 9.495 -9.608 -15.779 873 2HB ASN 78 1HB ASN 78 9.243 -9.690 -14.047 874 1HD2 ASN 78 1HD2 ASN 78 6.216 -9.609 -14.382 875 2HD2 ASN 78 2HD2 ASN 78 5.805 -11.155 -14.924 876 H VAL 79 H VAL 79 9.289 -6.758 -13.226 877 HA VAL 79 HA VAL 79 11.099 -5.465 -15.228 878 HB VAL 79 HB VAL 79 10.028 -4.169 -12.714 879 1HG1 VAL 79 1HG1 VAL 79 11.775 -3.331 -15.009 880 2HG1 VAL 79 2HG1 VAL 79 12.014 -3.073 -13.281 881 3HG1 VAL 79 3HG1 VAL 79 10.810 -2.127 -14.156 882 1HG2 VAL 79 1HG2 VAL 79 8.300 -4.701 -14.545 883 2HG2 VAL 79 2HG2 VAL 79 9.190 -3.563 -15.556 884 3HG2 VAL 79 3HG2 VAL 79 8.436 -3.010 -14.061 885 H THR 80 H THR 80 12.779 -6.949 -14.779 886 HA THR 80 HA THR 80 13.687 -7.419 -12.045 887 HB THR 80 HB THR 80 15.099 -8.017 -14.662 888 HG1 THR 80 HG1 THR 80 13.260 -9.507 -13.106 889 1HG2 THR 80 1HG2 THR 80 16.472 -9.478 -13.426 890 2HG2 THR 80 2HG2 THR 80 15.377 -9.483 -12.043 891 3HG2 THR 80 3HG2 THR 80 16.351 -8.054 -12.393 892 H LEU 81 H LEU 81 14.266 -5.382 -11.180 893 HA LEU 81 HA LEU 81 16.143 -3.653 -12.622 894 1HB LEU 81 2HB LEU 81 15.068 -3.512 -9.786 895 2HB LEU 81 1HB LEU 81 15.972 -2.244 -10.604 896 HG LEU 81 HG LEU 81 13.591 -3.276 -12.045 897 1HD1 LEU 81 1HD1 LEU 81 12.959 -3.077 -9.563 898 2HD1 LEU 81 2HD1 LEU 81 11.985 -2.146 -10.701 899 3HD1 LEU 81 3HD1 LEU 81 13.234 -1.346 -9.747 900 1HD2 LEU 81 1HD2 LEU 81 14.845 -0.570 -11.503 901 2HD2 LEU 81 2HD2 LEU 81 13.344 -0.771 -12.408 902 3HD2 LEU 81 3HD2 LEU 81 14.844 -1.467 -13.022 903 HA PRO 82 HA PRO 82 19.660 -5.722 -10.742 904 1HB PRO 82 2HB PRO 82 21.593 -4.018 -11.635 905 2HB PRO 82 1HB PRO 82 20.791 -5.207 -12.672 906 1HG PRO 82 2HG PRO 82 20.500 -2.278 -12.613 907 2HG PRO 82 1HG PRO 82 20.164 -3.420 -13.921 908 1HD PRO 82 2HD PRO 82 18.267 -2.181 -12.182 909 2HD PRO 82 1HD PRO 82 17.953 -3.428 -13.409 910 H GLU 83 H GLU 83 21.749 -4.885 -9.475 911 HA GLU 83 HA GLU 83 20.846 -3.628 -7.072 912 1HB GLU 83 2HB GLU 83 23.747 -3.670 -7.902 913 2HB GLU 83 1HB GLU 83 23.069 -3.802 -6.281 914 1HG GLU 83 2HG GLU 83 21.929 -5.956 -7.481 915 2HG GLU 83 1HG GLU 83 23.463 -5.875 -8.345 916 H ALA 84 H ALA 84 22.691 -1.722 -6.374 917 HA ALA 84 HA ALA 84 23.227 0.245 -8.337 918 1HB ALA 84 1HB ALA 84 20.567 0.194 -7.996 919 2HB ALA 84 2HB ALA 84 21.435 1.701 -8.292 920 3HB ALA 84 3HB ALA 84 20.982 1.252 -6.647 921 H GLU 85 H GLU 85 25.156 0.179 -7.019 922 HA GLU 85 HA GLU 85 25.216 0.711 -4.222 923 1HB GLU 85 2HB GLU 85 27.313 1.300 -6.332 924 2HB GLU 85 1HB GLU 85 27.600 1.274 -4.593 925 1HG GLU 85 2HG GLU 85 26.351 -1.117 -5.909 926 2HG GLU 85 1HG GLU 85 28.094 -0.878 -6.025 927 H GLU 86 H GLU 86 23.768 2.483 -3.846 928 HA GLU 86 HA GLU 86 23.235 4.745 -3.532 929 1HB GLU 86 2HB GLU 86 25.861 4.568 -2.974 930 2HB GLU 86 1HB GLU 86 25.950 5.635 -4.376 931 1HG GLU 86 2HG GLU 86 23.881 6.262 -2.323 932 2HG GLU 86 1HG GLU 86 25.561 6.584 -1.897 933 H LEU 87 H LEU 87 21.840 4.826 -5.373 934 HA LEU 87 HA LEU 87 22.994 6.347 -7.667 935 1HB LEU 87 2HB LEU 87 22.511 3.787 -8.051 936 2HB LEU 87 1HB LEU 87 20.830 4.317 -8.132 937 HG LEU 87 HG LEU 87 21.925 6.171 -9.741 938 1HD1 LEU 87 1HD1 LEU 87 23.710 3.730 -9.915 939 2HD1 LEU 87 2HD1 LEU 87 24.198 5.395 -9.600 940 3HD1 LEU 87 3HD1 LEU 87 23.598 4.938 -11.195 941 1HD2 LEU 87 1HD2 LEU 87 21.477 3.443 -10.918 942 2HD2 LEU 87 2HD2 LEU 87 20.909 5.010 -11.494 943 3HD2 LEU 87 3HD2 LEU 87 20.144 4.253 -10.096 944 H LYS 88 HN LYS 88 21.672 7.999 -8.404 945 HA LYS 88 HA LYS 88 19.182 8.469 -6.838 946 1HB LYS 88 2HB LYS 88 19.397 10.812 -7.711 947 2HB LYS 88 1HB LYS 88 20.781 10.298 -6.745 948 1HG LYS 88 2HG LYS 88 22.200 10.272 -8.542 949 2HG LYS 88 1HG LYS 88 20.943 9.736 -9.658 950 1HD LYS 88 2HD LYS 88 19.947 12.013 -9.592 951 2HD LYS 88 1HD LYS 88 21.263 12.538 -8.542 952 1HE LYS 88 2HE LYS 88 22.817 12.503 -10.239 953 2HE LYS 88 1HE LYS 88 22.016 11.180 -11.087 954 1HZ LYS 88 1HZ LYS 88 21.339 14.052 -11.089 955 2HZ LYS 88 2HZ LYS 88 20.174 12.884 -11.494 956 3HZ LYS 88 3HZ LYS 88 21.599 13.019 -12.409 Start of MODEL 7 1 1H ARG 31 1H ARG 31 2.829 0.963 2.778 2 2H ARG 31 2H ARG 31 4.421 1.383 3.199 3 3H ARG 31 3H ARG 31 4.014 -0.243 2.920 4 HA ARG 31 HA ARG 31 3.543 0.255 0.595 5 1HB ARG 31 2HB ARG 31 3.223 2.812 1.437 6 2HB ARG 31 1HB ARG 31 4.876 2.901 0.829 7 1HG ARG 31 2HG ARG 31 3.598 3.385 -1.081 8 2HG ARG 31 1HG ARG 31 3.924 1.659 -1.258 9 1HD ARG 31 2HD ARG 31 1.725 1.185 -0.156 10 2HD ARG 31 1HD ARG 31 1.395 2.918 -0.156 11 HE ARG 31 HE ARG 31 1.979 2.385 -2.799 12 1HH1 ARG 31 1HH2 ARG 31 -0.241 1.012 -0.470 13 2HH1 ARG 31 2HH2 ARG 31 -1.392 0.565 -1.681 14 1HH2 ARG 31 1HH1 ARG 31 0.461 1.789 -4.332 15 2HH2 ARG 31 2HH1 ARG 31 -1.002 1.000 -3.843 16 H SER 32 H SER 32 5.182 -1.380 0.666 17 HA SER 32 HA SER 32 7.903 -0.951 1.358 18 1HB SER 32 2HB SER 32 7.065 -2.861 -0.811 19 2HB SER 32 1HB SER 32 8.340 -3.048 0.390 20 HG SER 32 HG SER 32 5.600 -3.451 0.589 21 H ASP 33 H ASP 33 6.126 0.070 -1.441 22 HA ASP 33 HA ASP 33 8.517 0.369 -3.096 23 1HB ASP 33 2HB ASP 33 5.727 1.412 -3.614 24 2HB ASP 33 1HB ASP 33 7.025 1.222 -4.793 25 H ALA 34 H ALA 34 7.785 2.004 -0.455 26 HA ALA 34 HA ALA 34 7.938 4.726 -1.535 27 1HB ALA 34 1HB ALA 34 6.489 4.175 0.438 28 2HB ALA 34 2HB ALA 34 7.664 5.449 0.766 29 3HB ALA 34 3HB ALA 34 7.953 3.810 1.351 30 H GLU 35 H GLU 35 10.086 2.255 -0.524 31 HA GLU 35 HA GLU 35 12.177 3.772 0.652 32 1HB GLU 35 2HB GLU 35 12.522 1.280 -1.033 33 2HB GLU 35 1HB GLU 35 13.600 1.875 0.223 34 1HG GLU 35 2HG GLU 35 10.845 1.533 1.176 35 2HG GLU 35 1HG GLU 35 11.552 0.031 0.585 36 HA PRO 36 HA PRO 36 13.993 4.402 -3.728 37 1HB PRO 36 2HB PRO 36 12.513 3.683 -5.906 38 2HB PRO 36 1HB PRO 36 13.595 2.572 -5.056 39 1HG PRO 36 2HG PRO 36 10.664 2.624 -5.131 40 2HG PRO 36 1HG PRO 36 11.756 1.304 -4.691 41 1HD PRO 36 2HD PRO 36 10.281 3.033 -2.934 42 2HD PRO 36 1HD PRO 36 11.367 1.711 -2.494 43 H HIS 37 H HIS 37 10.440 4.769 -3.932 44 HA HIS 37 HA HIS 37 9.127 6.686 -4.171 45 1HB HIS 37 2HB HIS 37 11.300 7.750 -2.974 46 2HB HIS 37 1HB HIS 37 11.413 8.555 -4.538 47 HD1 HIS 37 HD1 HIS 37 9.077 9.757 -5.337 48 HD2 HIS 37 HD2 HIS 37 9.450 8.913 -1.272 49 HE1 HIS 37 HE1 HIS 37 7.348 11.176 -4.150 50 H TYR 38 H TYR 38 11.237 5.464 -6.447 51 HA TYR 38 HA TYR 38 10.103 7.241 -8.560 52 1HB TYR 38 2HB TYR 38 12.093 6.457 -9.946 53 2HB TYR 38 1HB TYR 38 12.481 7.534 -8.606 54 HD1 TYR 38 HD1 TYR 38 12.610 4.050 -9.827 55 HD2 TYR 38 HD2 TYR 38 13.672 6.734 -6.647 56 HE1 TYR 38 HE1 TYR 38 14.140 2.337 -8.891 57 HE2 TYR 38 HE2 TYR 38 15.199 5.020 -5.709 58 HH TYR 38 HH TYR 38 15.458 2.558 -5.774 59 H LEU 39 H LEU 39 10.850 3.943 -7.562 60 HA LEU 39 HA LEU 39 10.125 2.494 -9.847 61 1HB LEU 39 2HB LEU 39 10.623 1.948 -7.112 62 2HB LEU 39 1HB LEU 39 9.078 1.190 -7.486 63 HG LEU 39 HG LEU 39 10.898 -0.384 -7.945 64 1HD1 LEU 39 1HD1 LEU 39 8.857 0.093 -9.627 65 2HD1 LEU 39 2HD1 LEU 39 10.086 -1.125 -9.970 66 3HD1 LEU 39 3HD1 LEU 39 10.193 0.469 -10.716 67 1HD2 LEU 39 1HD2 LEU 39 12.322 0.473 -10.087 68 2HD2 LEU 39 2HD2 LEU 39 12.857 0.703 -8.422 69 3HD2 LEU 39 3HD2 LEU 39 12.043 2.014 -9.275 70 HA PRO 40 HA PRO 40 5.506 2.630 -8.452 71 1HB PRO 40 2HB PRO 40 4.793 4.473 -6.559 72 2HB PRO 40 1HB PRO 40 5.252 2.805 -6.187 73 1HG PRO 40 2HG PRO 40 6.802 5.308 -5.840 74 2HG PRO 40 1HG PRO 40 6.845 3.810 -4.905 75 1HD PRO 40 2HD PRO 40 8.728 4.574 -6.809 76 2HD PRO 40 1HD PRO 40 8.502 2.918 -6.203 77 H GLN 41 H GLN 41 7.468 5.443 -8.884 78 HA GLN 41 HA GLN 41 5.344 7.199 -9.840 79 1HB GLN 41 2HB GLN 41 7.437 8.127 -8.913 80 2HB GLN 41 1HB GLN 41 8.365 7.315 -10.171 81 1HG GLN 41 2HG GLN 41 8.068 9.619 -10.840 82 2HG GLN 41 1HG GLN 41 7.052 8.620 -11.880 83 1HE2 GLN 41 1HE2 GLN 41 5.397 10.201 -12.271 84 2HE2 GLN 41 2HE2 GLN 41 4.394 10.801 -11.040 85 H LEU 42 H LEU 42 7.616 4.876 -11.189 86 HA LEU 42 HA LEU 42 7.098 5.541 -13.946 87 1HB LEU 42 2HB LEU 42 8.320 3.094 -12.648 88 2HB LEU 42 1HB LEU 42 8.253 3.352 -14.375 89 HG LEU 42 HG LEU 42 10.122 4.603 -14.332 90 1HD1 LEU 42 1HD1 LEU 42 10.428 6.633 -13.073 91 2HD1 LEU 42 2HD1 LEU 42 9.173 6.179 -11.926 92 3HD1 LEU 42 3HD1 LEU 42 8.743 6.583 -13.586 93 1HD2 LEU 42 1HD2 LEU 42 11.286 4.703 -11.956 94 2HD2 LEU 42 2HD2 LEU 42 11.142 3.178 -12.830 95 3HD2 LEU 42 3HD2 LEU 42 10.009 3.562 -11.534 96 H ARG 43 H ARG 43 5.974 2.971 -11.725 97 HA ARG 43 HA ARG 43 4.396 1.567 -13.635 98 1HB ARG 43 2HB ARG 43 3.255 0.576 -11.731 99 2HB ARG 43 1HB ARG 43 4.961 0.707 -11.359 100 1HG ARG 43 2HG ARG 43 4.507 2.803 -10.120 101 2HG ARG 43 1HG ARG 43 2.785 2.590 -10.424 102 1HD ARG 43 2HD ARG 43 3.062 0.267 -9.344 103 2HD ARG 43 1HD ARG 43 4.615 0.863 -8.756 104 HE ARG 43 HE ARG 43 2.389 2.656 -8.157 105 1HH1 ARG 43 1HH2 ARG 43 4.218 -0.129 -7.087 106 2HH1 ARG 43 2HH2 ARG 43 3.780 0.096 -5.431 107 1HH2 ARG 43 2HH1 ARG 43 1.851 2.908 -6.002 108 2HH2 ARG 43 1HH1 ARG 43 2.456 1.795 -4.820 109 H LYS 44 H LYS 44 3.587 4.324 -11.503 110 HA LYS 44 HA LYS 44 0.856 4.425 -12.318 111 1HB LYS 44 2HB LYS 44 0.795 6.625 -11.302 112 2HB LYS 44 1HB LYS 44 1.754 5.571 -10.278 113 1HG LYS 44 2HG LYS 44 3.788 6.573 -10.971 114 2HG LYS 44 1HG LYS 44 3.041 7.344 -12.362 115 1HD LYS 44 2HD LYS 44 1.911 8.036 -9.704 116 2HD LYS 44 1HD LYS 44 3.515 8.670 -10.073 117 1HE LYS 44 2HE LYS 44 2.749 9.977 -11.820 118 2HE LYS 44 1HE LYS 44 1.398 8.899 -12.170 119 1HZ LYS 44 1HZ LYS 44 0.152 9.760 -10.445 120 2HZ LYS 44 2HZ LYS 44 0.936 11.145 -11.040 121 3HZ LYS 44 3HZ LYS 44 1.500 10.386 -9.628 122 H ASP 45 H ASP 45 3.855 5.680 -13.651 123 HA ASP 45 HA ASP 45 2.727 7.482 -15.549 124 1HB ASP 45 2HB ASP 45 5.310 5.910 -15.552 125 2HB ASP 45 1HB ASP 45 4.896 7.087 -16.788 126 H ILE 46 H ILE 46 3.589 4.008 -15.775 127 HA ILE 46 HA ILE 46 2.810 3.716 -18.514 128 HB ILE 46 HB ILE 46 4.163 2.042 -17.182 129 1HG1 ILE 46 2HG1 ILE 46 1.723 0.919 -18.585 130 2HG1 ILE 46 1HG1 ILE 46 3.122 1.599 -19.415 131 1HG2 ILE 46 1HG2 ILE 46 2.357 0.241 -16.229 132 2HG2 ILE 46 2HG2 ILE 46 1.581 1.747 -15.765 133 3HG2 ILE 46 3HG2 ILE 46 3.215 1.401 -15.224 134 1HD1 ILE 46 1HD1 ILE 46 3.717 -0.456 -17.360 135 2HD1 ILE 46 2HD1 ILE 46 4.445 -0.204 -18.946 136 3HD1 ILE 46 3HD1 ILE 46 2.895 -1.033 -18.809 137 H LEU 47 H LEU 47 0.960 3.810 -15.536 138 HA LEU 47 HA LEU 47 -1.493 2.764 -16.615 139 1HB LEU 47 2HB LEU 47 -0.784 4.464 -14.228 140 2HB LEU 47 1HB LEU 47 -2.467 4.169 -14.650 141 HG LEU 47 HG LEU 47 -0.647 1.810 -14.554 142 1HD1 LEU 47 1HD1 LEU 47 0.062 2.550 -12.484 143 2HD1 LEU 47 2HD1 LEU 47 -1.450 1.778 -12.008 144 3HD1 LEU 47 3HD1 LEU 47 -1.382 3.528 -12.223 145 1HD2 LEU 47 1HD2 LEU 47 -2.859 1.269 -15.129 146 2HD2 LEU 47 2HD2 LEU 47 -3.538 2.462 -14.021 147 3HD2 LEU 47 3HD2 LEU 47 -2.836 0.972 -13.390 148 H GLU 48 H GLU 48 -0.259 6.068 -16.096 149 HA GLU 48 HA GLU 48 -2.478 7.395 -17.351 150 1HB GLU 48 2HB GLU 48 0.373 8.405 -17.216 151 2HB GLU 48 1HB GLU 48 -1.094 9.370 -17.373 152 1HG GLU 48 2HG GLU 48 -0.419 7.636 -14.989 153 2HG GLU 48 1HG GLU 48 -0.186 9.374 -15.072 154 H VAL 49 H VAL 49 0.619 6.134 -18.455 155 HA VAL 49 HA VAL 49 0.552 7.200 -21.076 156 HB VAL 49 HB VAL 49 1.784 4.616 -20.058 157 1HG1 VAL 49 1HG1 VAL 49 3.265 5.454 -22.250 158 2HG1 VAL 49 2HG1 VAL 49 1.605 5.755 -22.761 159 3HG1 VAL 49 3HG1 VAL 49 2.092 4.139 -22.251 160 1HG2 VAL 49 1HG2 VAL 49 3.611 5.859 -19.459 161 2HG2 VAL 49 2HG2 VAL 49 2.431 7.166 -19.366 162 3HG2 VAL 49 3HG2 VAL 49 3.424 6.974 -20.810 163 H ILE 50 H ILE 50 -0.490 3.956 -19.913 164 HA ILE 50 HA ILE 50 -1.700 3.092 -22.336 165 HB ILE 50 HB ILE 50 -2.614 2.480 -19.508 166 1HG1 ILE 50 2HG1 ILE 50 -0.892 0.649 -21.126 167 2HG1 ILE 50 1HG1 ILE 50 -0.123 2.046 -20.373 168 1HG2 ILE 50 1HG2 ILE 50 -2.932 0.883 -22.065 169 2HG2 ILE 50 2HG2 ILE 50 -4.206 1.869 -21.347 170 3HG2 ILE 50 3HG2 ILE 50 -3.576 0.471 -20.476 171 1HD1 ILE 50 1HD1 ILE 50 -1.819 -0.012 -18.929 172 2HD1 ILE 50 2HD1 ILE 50 -1.023 1.372 -18.181 173 3HD1 ILE 50 3HD1 ILE 50 -0.059 0.072 -18.881 174 H CYS 51 H CYS 51 -2.719 5.468 -20.004 175 HA CYS 51 HA CYS 51 -5.495 5.531 -20.804 176 1HB CYS 51 2HB CYS 51 -4.434 6.410 -18.603 177 2HB CYS 51 1HB CYS 51 -4.002 7.834 -19.552 178 HG CYS 51 HG CYS 51 -6.954 7.133 -19.847 179 H LYS 52 H LYS 52 -2.617 7.487 -21.559 180 HA LYS 52 HA LYS 52 -3.838 9.378 -23.280 181 1HB LYS 52 2HB LYS 52 -1.066 8.186 -23.573 182 2HB LYS 52 1HB LYS 52 -1.619 9.711 -24.259 183 1HG LYS 52 2HG LYS 52 -1.673 10.776 -22.183 184 2HG LYS 52 1HG LYS 52 -1.812 9.259 -21.294 185 1HD LYS 52 2HD LYS 52 0.422 9.602 -20.921 186 2HD LYS 52 1HD LYS 52 0.576 8.857 -22.511 187 1HE LYS 52 2HE LYS 52 1.856 10.859 -22.638 188 2HE LYS 52 1HE LYS 52 0.346 11.221 -23.474 189 1HZ LYS 52 1HZ LYS 52 -0.447 12.439 -21.677 190 2HZ LYS 52 2HZ LYS 52 1.187 12.893 -21.769 191 3HZ LYS 52 3HZ LYS 52 0.677 11.777 -20.592 192 H TYR 53 H TYR 53 -2.814 6.070 -23.882 193 HA TYR 53 HA TYR 53 -3.539 6.329 -26.748 194 1HB TYR 53 2HB TYR 53 -2.138 4.110 -25.225 195 2HB TYR 53 1HB TYR 53 -2.436 4.122 -26.952 196 HD1 TYR 53 HD1 TYR 53 -0.688 4.822 -28.329 197 HD2 TYR 53 HD2 TYR 53 -0.936 6.372 -24.339 198 HE1 TYR 53 HE1 TYR 53 1.446 6.046 -28.658 199 HE2 TYR 53 HE2 TYR 53 1.180 7.594 -24.664 200 HH TYR 53 HH TYR 53 3.240 7.318 -26.164 201 H VAL 54 H VAL 54 -4.779 5.132 -23.748 202 HA VAL 54 HA VAL 54 -7.092 3.952 -25.150 203 HB VAL 54 HB VAL 54 -5.803 2.230 -23.032 204 1HG1 VAL 54 1HG1 VAL 54 -7.147 0.533 -23.951 205 2HG1 VAL 54 2HG1 VAL 54 -7.309 1.368 -25.495 206 3HG1 VAL 54 3HG1 VAL 54 -8.170 1.964 -24.077 207 1HG2 VAL 54 1HG2 VAL 54 -4.613 0.954 -24.764 208 2HG2 VAL 54 2HG2 VAL 54 -4.036 2.621 -24.750 209 3HG2 VAL 54 3HG2 VAL 54 -5.160 2.086 -26.000 210 H GLN 55 H GLN 55 -7.633 2.638 -22.275 211 HA GLN 55 HA GLN 55 -7.801 4.894 -20.492 212 1HB GLN 55 2HB GLN 55 -9.848 4.680 -22.473 213 2HB GLN 55 1HB GLN 55 -10.567 4.282 -20.913 214 1HG GLN 55 2HG GLN 55 -9.571 6.370 -19.969 215 2HG GLN 55 1HG GLN 55 -8.992 6.785 -21.582 216 1HE2 GLN 55 1HE2 GLN 55 -11.408 7.609 -19.546 217 2HE2 GLN 55 2HE2 GLN 55 -12.662 7.902 -20.652 218 H ILE 56 H ILE 56 -7.290 3.698 -18.746 219 HA ILE 56 HA ILE 56 -9.137 1.501 -17.961 220 HB ILE 56 HB ILE 56 -7.008 0.300 -17.079 221 1HG1 ILE 56 2HG1 ILE 56 -5.559 1.371 -19.426 222 2HG1 ILE 56 1HG1 ILE 56 -5.741 2.517 -18.098 223 1HG2 ILE 56 1HG2 ILE 56 -7.017 0.139 -20.035 224 2HG2 ILE 56 2HG2 ILE 56 -8.586 -0.062 -19.255 225 3HG2 ILE 56 3HG2 ILE 56 -7.249 -1.130 -18.831 226 1HD1 ILE 56 1HD1 ILE 56 -3.759 1.396 -17.527 227 2HD1 ILE 56 2HD1 ILE 56 -4.357 -0.158 -18.110 228 3HD1 ILE 56 3HD1 ILE 56 -4.972 0.514 -16.599 229 H ASP 57 H ASP 57 -8.755 0.932 -15.595 230 HA ASP 57 HA ASP 57 -8.153 3.439 -14.092 231 1HB ASP 57 2HB ASP 57 -10.019 1.134 -13.661 232 2HB ASP 57 1HB ASP 57 -9.399 1.985 -12.247 233 HA PRO 58 HA PRO 58 -4.734 1.465 -12.085 234 1HB PRO 58 2HB PRO 58 -4.918 2.394 -9.517 235 2HB PRO 58 1HB PRO 58 -4.383 3.393 -10.877 236 1HG PRO 58 2HG PRO 58 -6.993 3.374 -9.458 237 2HG PRO 58 1HG PRO 58 -6.137 4.717 -10.232 238 1HD PRO 58 2HD PRO 58 -8.308 3.361 -11.336 239 2HD PRO 58 1HD PRO 58 -7.146 4.342 -12.253 240 H GLU 59 H GLU 59 -7.890 1.094 -10.592 241 HA GLU 59 HA GLU 59 -7.204 -1.076 -8.827 242 1HB GLU 59 2HB GLU 59 -9.782 -0.127 -10.080 243 2HB GLU 59 1HB GLU 59 -9.728 -1.589 -9.096 244 1HG GLU 59 2HG GLU 59 -8.549 -0.137 -7.322 245 2HG GLU 59 1HG GLU 59 -9.104 1.246 -8.265 246 H MET 60 H MET 60 -7.465 -0.847 -12.266 247 HA MET 60 HA MET 60 -7.971 -3.745 -12.587 248 1HB MET 60 2HB MET 60 -7.854 -1.377 -14.447 249 2HB MET 60 1HB MET 60 -7.747 -3.014 -15.081 250 1HG MET 60 2HG MET 60 -9.911 -2.815 -13.148 251 2HG MET 60 1HG MET 60 -10.098 -1.601 -14.410 252 1HE MET 60 1HE MET 60 -10.883 -2.212 -16.948 253 2HE MET 60 2HE MET 60 -9.989 -3.549 -17.665 254 3HE MET 60 3HE MET 60 -9.125 -2.300 -16.773 255 H VAL 61 H VAL 61 -5.302 -2.005 -11.803 256 HA VAL 61 HA VAL 61 -3.533 -3.732 -13.479 257 HB VAL 61 HB VAL 61 -2.906 -0.954 -12.432 258 1HG1 VAL 61 1HG1 VAL 61 -0.843 -1.138 -13.518 259 2HG1 VAL 61 2HG1 VAL 61 -1.404 -2.431 -14.578 260 3HG1 VAL 61 3HG1 VAL 61 -1.062 -2.768 -12.882 261 1HG2 VAL 61 1HG2 VAL 61 -4.142 -1.951 -14.947 262 2HG2 VAL 61 2HG2 VAL 61 -2.886 -0.727 -15.134 263 3HG2 VAL 61 3HG2 VAL 61 -4.312 -0.385 -14.154 264 H THR 62 H THR 62 -2.422 -5.168 -12.241 265 HA THR 62 HA THR 62 -2.255 -4.742 -9.335 266 HB THR 62 HB THR 62 -1.180 -7.150 -10.788 267 HG1 THR 62 HG1 THR 62 -3.871 -6.604 -10.074 268 1HG2 THR 62 1HG2 THR 62 -0.712 -7.440 -8.557 269 2HG2 THR 62 2HG2 THR 62 -2.360 -8.068 -8.566 270 3HG2 THR 62 3HG2 THR 62 -2.049 -6.416 -8.034 271 H VAL 63 H VAL 63 -0.156 -5.088 -8.228 272 HA VAL 63 HA VAL 63 2.250 -4.675 -9.917 273 HB VAL 63 HB VAL 63 1.572 -2.916 -7.546 274 1HG1 VAL 63 1HG1 VAL 63 3.588 -1.790 -7.990 275 2HG1 VAL 63 2HG1 VAL 63 3.690 -2.425 -9.632 276 3HG1 VAL 63 3HG1 VAL 63 4.026 -3.476 -8.257 277 1HG2 VAL 63 1HG2 VAL 63 1.510 -2.314 -10.516 278 2HG2 VAL 63 2HG2 VAL 63 1.265 -1.132 -9.230 279 3HG2 VAL 63 3HG2 VAL 63 0.102 -2.439 -9.462 280 H GLN 64 H GLN 64 3.372 -6.482 -9.292 281 HA GLN 64 HA GLN 64 3.597 -6.978 -6.355 282 1HB GLN 64 2HB GLN 64 4.094 -9.370 -7.016 283 2HB GLN 64 1HB GLN 64 2.449 -8.843 -7.361 284 1HG GLN 64 2HG GLN 64 4.341 -8.320 -9.559 285 2HG GLN 64 1HG GLN 64 4.143 -10.030 -9.192 286 1HE2 GLN 64 1HE2 GLN 64 2.625 -10.830 -10.660 287 2HE2 GLN 64 2HE2 GLN 64 1.146 -10.082 -11.027 288 H LEU 65 H LEU 65 5.632 -6.750 -5.537 289 HA LEU 65 HA LEU 65 7.873 -6.530 -7.467 290 1HB LEU 65 2HB LEU 65 9.045 -5.411 -5.579 291 2HB LEU 65 1HB LEU 65 7.584 -4.573 -6.078 292 HG LEU 65 HG LEU 65 6.926 -6.547 -4.065 293 1HD1 LEU 65 1HD1 LEU 65 8.842 -4.449 -3.055 294 2HD1 LEU 65 2HD1 LEU 65 9.410 -6.049 -3.531 295 3HD1 LEU 65 3HD1 LEU 65 8.239 -5.882 -2.222 296 1HD2 LEU 65 1HD2 LEU 65 5.480 -4.696 -4.427 297 2HD2 LEU 65 2HD2 LEU 65 6.803 -3.537 -4.307 298 3HD2 LEU 65 3HD2 LEU 65 6.233 -4.377 -2.865 299 H GLU 66 H GLU 66 9.231 -8.209 -7.611 300 HA GLU 66 HA GLU 66 9.442 -10.081 -5.290 301 1HB GLU 66 2HB GLU 66 9.741 -10.488 -8.268 302 2HB GLU 66 1HB GLU 66 10.400 -11.648 -7.122 303 1HG GLU 66 2HG GLU 66 7.504 -10.775 -7.329 304 2HG GLU 66 1HG GLU 66 8.153 -12.321 -7.867 305 H GLN 67 H GLN 67 11.756 -11.219 -5.415 306 HA GLN 67 HA GLN 67 13.876 -9.325 -6.244 307 1HB GLN 67 2HB GLN 67 13.263 -10.069 -3.382 308 2HB GLN 67 1HB GLN 67 14.892 -9.613 -3.874 309 1HG GLN 67 2HG GLN 67 14.242 -7.474 -3.535 310 2HG GLN 67 1HG GLN 67 13.321 -7.635 -5.028 311 1HE2 GLN 67 1HE2 GLN 67 12.891 -6.485 -2.023 312 2HE2 GLN 67 2HE2 GLN 67 11.270 -6.905 -1.745 313 H LYS 68 H LYS 68 15.967 -10.344 -6.339 314 HA LYS 68 HA LYS 68 15.816 -13.327 -6.297 315 1HB LYS 68 2HB LYS 68 17.499 -11.402 -7.893 316 2HB LYS 68 1HB LYS 68 17.914 -13.107 -7.766 317 1HG LYS 68 2HG LYS 68 16.274 -13.724 -9.198 318 2HG LYS 68 1HG LYS 68 15.084 -12.688 -8.412 319 1HD LYS 68 2HD LYS 68 15.434 -11.933 -10.710 320 2HD LYS 68 1HD LYS 68 16.059 -10.722 -9.592 321 1HE LYS 68 2HE LYS 68 17.739 -10.979 -11.265 322 2HE LYS 68 1HE LYS 68 18.334 -11.860 -9.859 323 1HZ LYS 68 1HZ LYS 68 18.489 -13.058 -12.039 324 2HZ LYS 68 2HZ LYS 68 16.793 -13.152 -12.034 325 3HZ LYS 68 3HZ LYS 68 17.692 -13.905 -10.805 326 H ASP 69 H ASP 69 18.002 -14.374 -5.763 327 HA ASP 69 HA ASP 69 18.889 -13.401 -3.191 328 1HB ASP 69 2HB ASP 69 20.060 -15.601 -4.913 329 2HB ASP 69 1HB ASP 69 20.353 -15.358 -3.190 330 H GLY 70 H GLY 70 19.783 -12.498 -6.328 331 1HA GLY 70 2HA GLY 70 22.603 -11.949 -5.585 332 2HA GLY 70 1HA GLY 70 21.917 -11.788 -7.202 333 H ASP 71 H ASP 71 20.346 -10.494 -4.336 334 HA ASP 71 HA ASP 71 19.800 -8.297 -3.741 335 1HB ASP 71 2HB ASP 71 22.549 -7.976 -4.932 336 2HB ASP 71 1HB ASP 71 21.633 -6.568 -4.399 337 H ILE 72 H ILE 72 18.484 -9.196 -5.935 338 HA ILE 72 HA ILE 72 18.432 -6.801 -7.719 339 HB ILE 72 HB ILE 72 17.770 -9.619 -8.591 340 1HG1 ILE 72 2HG1 ILE 72 20.385 -8.088 -8.738 341 2HG1 ILE 72 1HG1 ILE 72 20.107 -9.637 -7.960 342 1HG2 ILE 72 1HG2 ILE 72 17.954 -8.651 -10.828 343 2HG2 ILE 72 2HG2 ILE 72 18.437 -7.103 -10.140 344 3HG2 ILE 72 3HG2 ILE 72 16.806 -7.714 -9.873 345 1HD1 ILE 72 1HD1 ILE 72 19.284 -9.884 -10.687 346 2HD1 ILE 72 2HD1 ILE 72 20.618 -10.698 -9.875 347 3HD1 ILE 72 3HD1 ILE 72 20.885 -9.147 -10.668 348 H SER 73 H SER 73 16.285 -6.298 -8.572 349 HA SER 73 HA SER 73 14.093 -7.398 -6.859 350 1HB SER 73 2HB SER 73 14.015 -4.698 -8.197 351 2HB SER 73 1HB SER 73 13.068 -5.272 -6.827 352 HG SER 73 HG SER 73 14.618 -4.639 -5.569 353 H ILE 74 H ILE 74 11.928 -7.341 -7.942 354 HA ILE 74 HA ILE 74 11.996 -7.422 -10.905 355 HB ILE 74 HB ILE 74 11.225 -9.751 -9.126 356 1HG1 ILE 74 2HG1 ILE 74 13.361 -9.424 -11.245 357 2HG1 ILE 74 1HG1 ILE 74 13.628 -9.548 -9.514 358 1HG2 ILE 74 1HG2 ILE 74 9.601 -9.614 -10.925 359 2HG2 ILE 74 2HG2 ILE 74 10.719 -10.928 -11.287 360 3HG2 ILE 74 3HG2 ILE 74 10.881 -9.378 -12.115 361 1HD1 ILE 74 1HD1 ILE 74 12.015 -11.775 -10.406 362 2HD1 ILE 74 2HD1 ILE 74 13.588 -11.794 -9.609 363 3HD1 ILE 74 3HD1 ILE 74 13.492 -11.676 -11.366 364 H LEU 75 H LEU 75 10.544 -5.591 -10.760 365 HA LEU 75 HA LEU 75 8.028 -5.909 -9.301 366 1HB LEU 75 2HB LEU 75 9.200 -3.709 -9.411 367 2HB LEU 75 1HB LEU 75 8.884 -3.670 -11.143 368 HG LEU 75 HG LEU 75 6.532 -4.210 -9.414 369 1HD1 LEU 75 1HD1 LEU 75 7.084 -2.484 -8.017 370 2HD1 LEU 75 2HD1 LEU 75 6.480 -1.501 -9.350 371 3HD1 LEU 75 3HD1 LEU 75 8.213 -1.775 -9.171 372 1HD2 LEU 75 1HD2 LEU 75 5.594 -2.490 -11.069 373 2HD2 LEU 75 2HD2 LEU 75 6.157 -4.010 -11.763 374 3HD2 LEU 75 3HD2 LEU 75 7.161 -2.564 -11.875 375 H GLU 76 H GLU 76 6.487 -7.151 -10.213 376 HA GLU 76 HA GLU 76 6.184 -7.113 -13.187 377 1HB GLU 76 2HB GLU 76 4.990 -9.123 -11.263 378 2HB GLU 76 1HB GLU 76 5.143 -9.268 -13.012 379 1HG GLU 76 2HG GLU 76 7.512 -9.521 -12.884 380 2HG GLU 76 1HG GLU 76 7.551 -9.002 -11.200 381 H LEU 77 H LEU 77 4.697 -5.480 -13.623 382 HA LEU 77 HA LEU 77 2.348 -5.253 -11.823 383 1HB LEU 77 2HB LEU 77 1.897 -3.125 -12.930 384 2HB LEU 77 1HB LEU 77 3.568 -3.176 -12.381 385 HG LEU 77 HG LEU 77 3.488 -4.261 -15.035 386 1HD1 LEU 77 1HD1 LEU 77 2.265 -2.803 -16.306 387 2HD1 LEU 77 2HD1 LEU 77 2.550 -1.451 -15.212 388 3HD1 LEU 77 3HD1 LEU 77 1.324 -2.654 -14.822 389 1HD2 LEU 77 1HD2 LEU 77 5.461 -3.211 -14.174 390 2HD2 LEU 77 2HD2 LEU 77 4.584 -1.729 -13.790 391 3HD2 LEU 77 3HD2 LEU 77 4.883 -2.167 -15.472 392 H ASN 78 H ASN 78 0.403 -6.024 -12.390 393 HA ASN 78 HA ASN 78 0.068 -7.287 -15.034 394 1HB ASN 78 2HB ASN 78 -1.821 -7.133 -12.675 395 2HB ASN 78 1HB ASN 78 -1.961 -8.206 -14.059 396 1HD2 ASN 78 1HD2 ASN 78 -1.206 -10.274 -13.638 397 2HD2 ASN 78 2HD2 ASN 78 0.055 -10.658 -12.574 398 H VAL 79 H VAL 79 -1.379 -6.498 -16.575 399 HA VAL 79 HA VAL 79 -2.816 -3.975 -15.857 400 HB VAL 79 HB VAL 79 -1.651 -4.623 -18.575 401 1HG1 VAL 79 1HG1 VAL 79 -2.255 -2.418 -19.144 402 2HG1 VAL 79 2HG1 VAL 79 -2.432 -1.936 -17.457 403 3HG1 VAL 79 3HG1 VAL 79 -3.634 -2.988 -18.203 404 1HG2 VAL 79 1HG2 VAL 79 -0.472 -3.377 -16.132 405 2HG2 VAL 79 2HG2 VAL 79 -0.132 -2.585 -17.671 406 3HG2 VAL 79 3HG2 VAL 79 0.322 -4.272 -17.428 407 H THR 80 H THR 80 -4.784 -5.059 -15.480 408 HA THR 80 HA THR 80 -5.912 -6.870 -17.476 409 HB THR 80 HB THR 80 -7.246 -5.523 -15.106 410 HG1 THR 80 HG1 THR 80 -5.880 -6.792 -14.121 411 1HG2 THR 80 1HG2 THR 80 -8.759 -7.561 -15.320 412 2HG2 THR 80 2HG2 THR 80 -8.018 -7.836 -16.896 413 3HG2 THR 80 3HG2 THR 80 -8.924 -6.354 -16.596 414 H LEU 81 H LEU 81 -6.005 -5.587 -19.397 415 HA LEU 81 HA LEU 81 -7.432 -3.035 -19.379 416 1HB LEU 81 2HB LEU 81 -6.464 -4.739 -21.696 417 2HB LEU 81 1HB LEU 81 -6.988 -3.061 -21.789 418 HG LEU 81 HG LEU 81 -4.769 -3.866 -19.925 419 1HD1 LEU 81 1HD1 LEU 81 -4.611 -3.284 -22.890 420 2HD1 LEU 81 2HD1 LEU 81 -3.969 -4.681 -22.026 421 3HD1 LEU 81 3HD1 LEU 81 -3.229 -3.094 -21.812 422 1HD2 LEU 81 1HD2 LEU 81 -4.168 -1.406 -20.774 423 2HD2 LEU 81 2HD2 LEU 81 -5.322 -1.667 -19.467 424 3HD2 LEU 81 3HD2 LEU 81 -5.899 -1.361 -21.107 425 HA PRO 82 HA PRO 82 -11.385 -5.021 -20.156 426 1HB PRO 82 2HB PRO 82 -12.836 -2.750 -20.588 427 2HB PRO 82 1HB PRO 82 -12.312 -3.279 -18.982 428 1HG PRO 82 2HG PRO 82 -11.337 -1.039 -20.624 429 2HG PRO 82 1HG PRO 82 -11.243 -1.281 -18.874 430 1HD PRO 82 2HD PRO 82 -9.159 -1.676 -20.787 431 2HD PRO 82 1HD PRO 82 -9.114 -2.038 -19.048 432 H GLU 83 H GLU 83 -13.264 -4.588 -21.910 433 HA GLU 83 HA GLU 83 -12.207 -5.229 -24.463 434 1HB GLU 83 2HB GLU 83 -14.840 -4.694 -23.299 435 2HB GLU 83 1HB GLU 83 -14.730 -4.171 -24.978 436 1HG GLU 83 2HG GLU 83 -13.832 -6.420 -25.579 437 2HG GLU 83 1HG GLU 83 -14.087 -6.934 -23.911 438 H ALA 84 H ALA 84 -13.366 -3.671 -26.373 439 HA ALA 84 HA ALA 84 -13.110 -0.857 -26.040 440 1HB ALA 84 1HB ALA 84 -10.627 -2.361 -26.695 441 2HB ALA 84 2HB ALA 84 -10.819 -0.820 -25.861 442 3HB ALA 84 3HB ALA 84 -10.927 -0.890 -27.620 443 H GLU 85 H GLU 85 -14.702 -0.440 -27.502 444 HA GLU 85 HA GLU 85 -14.255 -0.679 -30.308 445 1HB GLU 85 2HB GLU 85 -14.687 -3.097 -29.784 446 2HB GLU 85 1HB GLU 85 -16.291 -2.639 -29.211 447 1HG GLU 85 2HG GLU 85 -16.446 -1.454 -31.573 448 2HG GLU 85 1HG GLU 85 -15.204 -2.631 -32.002 449 H GLU 86 H GLU 86 -14.999 1.477 -30.249 450 HA GLU 86 HA GLU 86 -16.597 3.190 -30.347 451 1HB GLU 86 2HB GLU 86 -17.724 1.109 -31.649 452 2HB GLU 86 1HB GLU 86 -18.877 1.279 -30.324 453 1HG GLU 86 2HG GLU 86 -19.768 2.767 -31.874 454 2HG GLU 86 1HG GLU 86 -18.734 3.843 -30.934 455 H LEU 87 H LEU 87 -15.761 2.091 -27.757 456 HA LEU 87 HA LEU 87 -18.226 2.644 -26.151 457 1HB LEU 87 2HB LEU 87 -16.826 0.373 -26.010 458 2HB LEU 87 1HB LEU 87 -15.833 1.343 -24.922 459 HG LEU 87 HG LEU 87 -18.172 2.012 -23.887 460 1HD1 LEU 87 1HD1 LEU 87 -19.228 0.560 -25.813 461 2HD1 LEU 87 2HD1 LEU 87 -19.922 0.498 -24.193 462 3HD1 LEU 87 3HD1 LEU 87 -18.847 -0.788 -24.741 463 1HD2 LEU 87 1HD2 LEU 87 -16.190 0.574 -22.962 464 2HD2 LEU 87 2HD2 LEU 87 -17.239 -0.796 -23.322 465 3HD2 LEU 87 3HD2 LEU 87 -17.768 0.443 -22.184 466 H LYS 88 HN LYS 88 -18.187 4.527 -25.031 467 HA LYS 88 HA LYS 88 -15.523 5.743 -24.411 468 1HB LYS 88 2HB LYS 88 -17.967 6.906 -25.661 469 2HB LYS 88 1HB LYS 88 -17.089 7.924 -24.519 470 1HG LYS 88 2HG LYS 88 -15.157 7.958 -25.823 471 2HG LYS 88 1HG LYS 88 -15.565 6.450 -26.644 472 1HD LYS 88 2HD LYS 88 -15.939 8.170 -28.254 473 2HD LYS 88 1HD LYS 88 -17.541 7.714 -27.670 474 1HE LYS 88 2HE LYS 88 -16.999 9.631 -25.877 475 2HE LYS 88 1HE LYS 88 -15.992 10.220 -27.199 476 1HZ LYS 88 1HZ LYS 88 -18.255 11.106 -27.286 477 2HZ LYS 88 2HZ LYS 88 -18.872 9.530 -27.427 478 3HZ LYS 88 3HZ LYS 88 -17.893 10.175 -28.656 479 1H ARG 31 1H ARG 31 5.385 -11.367 -33.701 480 2H ARG 31 2H ARG 31 3.894 -10.949 -34.399 481 3H ARG 31 3H ARG 31 3.966 -12.141 -33.191 482 HA ARG 31 HA ARG 31 4.693 -10.487 -31.576 483 1HB ARG 31 2HB ARG 31 5.488 -9.051 -33.733 484 2HB ARG 31 1HB ARG 31 3.938 -8.275 -33.411 485 1HG ARG 31 2HG ARG 31 5.419 -7.046 -32.065 486 2HG ARG 31 1HG ARG 31 4.750 -8.221 -30.932 487 1HD ARG 31 2HD ARG 31 6.715 -9.704 -31.389 488 2HD ARG 31 1HD ARG 31 7.404 -8.421 -32.384 489 HE ARG 31 HE ARG 31 6.907 -7.162 -29.980 490 1HH1 ARG 31 1HH2 ARG 31 8.617 -10.072 -30.897 491 2HH1 ARG 31 2HH2 ARG 31 9.729 -9.954 -29.578 492 1HH2 ARG 31 1HH1 ARG 31 8.367 -7.049 -28.289 493 2HH2 ARG 31 2HH1 ARG 31 9.592 -8.262 -28.116 494 H SER 32 H SER 32 2.744 -11.458 -30.786 495 HA SER 32 HA SER 32 0.134 -10.952 -31.786 496 1HB SER 32 2HB SER 32 0.698 -11.349 -28.857 497 2HB SER 32 1HB SER 32 -0.669 -11.930 -29.803 498 HG SER 32 HG SER 32 1.904 -12.943 -29.538 499 H ASP 33 H ASP 33 2.278 -8.889 -30.005 500 HA ASP 33 HA ASP 33 0.127 -7.176 -29.013 501 1HB ASP 33 2HB ASP 33 3.104 -6.648 -29.012 502 2HB ASP 33 1HB ASP 33 1.881 -5.829 -28.040 503 H ALA 34 H ALA 34 1.002 -7.605 -32.051 504 HA ALA 34 HA ALA 34 1.507 -4.812 -32.789 505 1HB ALA 34 1HB ALA 34 2.663 -6.708 -33.955 506 2HB ALA 34 2HB ALA 34 1.765 -5.657 -35.050 507 3HB ALA 34 3HB ALA 34 1.095 -7.219 -34.579 508 H GLU 35 H GLU 35 -1.183 -6.881 -32.302 509 HA GLU 35 HA GLU 35 -2.982 -5.942 -34.289 510 1HB GLU 35 2HB GLU 35 -3.729 -6.827 -31.490 511 2HB GLU 35 1HB GLU 35 -4.740 -6.872 -32.928 512 1HG GLU 35 2HG GLU 35 -2.195 -8.283 -33.303 513 2HG GLU 35 1HG GLU 35 -3.160 -8.959 -31.994 514 HA PRO 36 HA PRO 36 -4.312 -2.494 -31.253 515 1HB PRO 36 2HB PRO 36 -2.868 -2.090 -28.971 516 2HB PRO 36 1HB PRO 36 -4.218 -3.229 -29.080 517 1HG PRO 36 2HG PRO 36 -1.346 -3.765 -28.845 518 2HG PRO 36 1HG PRO 36 -2.721 -4.822 -28.501 519 1HD PRO 36 2HD PRO 36 -1.039 -4.817 -30.830 520 2HD PRO 36 1HD PRO 36 -2.409 -5.877 -30.485 521 H HIS 37 H HIS 37 -0.757 -2.841 -31.056 522 HA HIS 37 HA HIS 37 0.946 -1.480 -31.897 523 1HB HIS 37 2HB HIS 37 -1.031 -0.892 -33.640 524 2HB HIS 37 1HB HIS 37 -0.860 0.679 -32.857 525 HD1 HIS 37 HD1 HIS 37 1.727 1.593 -32.757 526 HD2 HIS 37 HD2 HIS 37 0.901 -1.375 -35.565 527 HE1 HIS 37 HE1 HIS 37 3.630 1.637 -34.427 528 H TYR 38 H TYR 38 -1.211 -0.652 -29.492 529 HA TYR 38 HA TYR 38 0.419 1.737 -28.751 530 1HB TYR 38 2HB TYR 38 -1.590 2.360 -27.313 531 2HB TYR 38 1HB TYR 38 -1.833 2.496 -29.053 532 HD1 TYR 38 HD1 TYR 38 -2.612 0.520 -26.030 533 HD2 TYR 38 HD2 TYR 38 -3.301 0.974 -30.245 534 HE1 TYR 38 HE1 TYR 38 -4.532 -1.045 -25.887 535 HE2 TYR 38 HE2 TYR 38 -5.218 -0.592 -30.102 536 HH TYR 38 HH TYR 38 -5.988 -2.423 -28.622 537 H LEU 39 H LEU 39 -1.078 -1.267 -27.672 538 HA LEU 39 HA LEU 39 -0.517 -1.211 -24.928 539 1HB LEU 39 2HB LEU 39 -1.310 -3.138 -26.848 540 2HB LEU 39 1HB LEU 39 0.060 -3.838 -25.994 541 HG LEU 39 HG LEU 39 -2.014 -4.412 -24.825 542 1HD1 LEU 39 1HD1 LEU 39 0.194 -3.485 -23.607 543 2HD1 LEU 39 2HD1 LEU 39 -1.238 -3.974 -22.701 544 3HD1 LEU 39 3HD1 LEU 39 -0.952 -2.269 -23.043 545 1HD2 LEU 39 1HD2 LEU 39 -3.071 -2.184 -23.701 546 2HD2 LEU 39 2HD2 LEU 39 -3.660 -2.868 -25.215 547 3HD2 LEU 39 3HD2 LEU 39 -2.530 -1.516 -25.241 548 HA PRO 40 HA PRO 40 3.916 -2.902 -25.811 549 1HB PRO 40 2HB PRO 40 4.869 -2.725 -28.370 550 2HB PRO 40 1HB PRO 40 4.043 -4.149 -27.721 551 1HG PRO 40 2HG PRO 40 3.037 -2.071 -29.581 552 2HG PRO 40 1HG PRO 40 2.612 -3.781 -29.457 553 1HD PRO 40 2HD PRO 40 1.072 -1.667 -28.502 554 2HD PRO 40 1HD PRO 40 0.900 -3.363 -28.003 555 H GLN 41 H GLN 41 2.629 -0.036 -27.252 556 HA GLN 41 HA GLN 41 5.139 1.447 -27.363 557 1HB GLN 41 2HB GLN 41 3.231 2.071 -28.801 558 2HB GLN 41 1HB GLN 41 2.241 2.372 -27.375 559 1HG GLN 41 2HG GLN 41 3.066 4.502 -28.168 560 2HG GLN 41 1HG GLN 41 3.917 4.116 -26.671 561 1HE2 GLN 41 1HE2 GLN 41 5.894 5.230 -27.169 562 2HE2 GLN 41 2HE2 GLN 41 6.913 4.764 -28.444 563 H LEU 42 H LEU 42 2.526 0.905 -25.069 564 HA LEU 42 HA LEU 42 3.365 2.934 -23.201 565 1HB LEU 42 2HB LEU 42 1.566 0.519 -22.895 566 2HB LEU 42 1HB LEU 42 1.805 1.720 -21.650 567 HG LEU 42 HG LEU 42 0.246 3.069 -22.550 568 1HD1 LEU 42 1HD1 LEU 42 0.290 3.980 -24.778 569 2HD1 LEU 42 2HD1 LEU 42 1.336 2.687 -25.349 570 3HD1 LEU 42 3HD1 LEU 42 1.957 3.885 -24.217 571 1HD2 LEU 42 1HD2 LEU 42 -1.034 1.998 -24.605 572 2HD2 LEU 42 2HD2 LEU 42 -1.155 1.289 -22.995 573 3HD2 LEU 42 3HD2 LEU 42 -0.061 0.589 -24.187 574 H ARG 43 H ARG 43 3.762 -0.617 -23.404 575 HA ARG 43 HA ARG 43 5.136 -0.927 -20.930 576 1HB ARG 43 2HB ARG 43 5.905 -3.060 -21.803 577 2HB ARG 43 1HB ARG 43 4.243 -2.814 -22.300 578 1HG ARG 43 2HG ARG 43 5.044 -2.001 -24.497 579 2HG ARG 43 1HG ARG 43 6.697 -2.354 -24.007 580 1HD ARG 43 2HD ARG 43 5.860 -4.744 -23.534 581 2HD ARG 43 1HD ARG 43 4.431 -4.294 -24.466 582 HE ARG 43 HE ARG 43 6.939 -3.717 -25.847 583 1HH1 ARG 43 1HH2 ARG 43 4.492 -6.133 -25.201 584 2HH1 ARG 43 2HH2 ARG 43 4.850 -7.023 -26.639 585 1HH2 ARG 43 2HH1 ARG 43 7.366 -4.900 -27.695 586 2HH2 ARG 43 1HH1 ARG 43 6.459 -6.335 -28.037 587 H LYS 44 H LYS 44 6.359 -0.195 -24.211 588 HA LYS 44 HA LYS 44 9.100 -0.217 -23.422 589 1HB LYS 44 2HB LYS 44 9.554 0.892 -25.529 590 2HB LYS 44 1HB LYS 44 8.324 -0.329 -25.804 591 1HG LYS 44 2HG LYS 44 6.602 1.291 -25.976 592 2HG LYS 44 1HG LYS 44 7.591 2.552 -25.254 593 1HD LYS 44 2HD LYS 44 8.654 1.293 -27.725 594 2HD LYS 44 1HD LYS 44 7.251 2.345 -27.912 595 1HE LYS 44 2HE LYS 44 8.396 4.230 -27.216 596 2HE LYS 44 1HE LYS 44 9.509 3.307 -26.208 597 1HZ LYS 44 1HZ LYS 44 10.785 2.703 -28.016 598 2HZ LYS 44 2HZ LYS 44 10.355 4.300 -28.405 599 3HZ LYS 44 3HZ LYS 44 9.547 2.997 -29.137 600 H ASP 45 H ASP 45 6.536 2.183 -23.295 601 HA ASP 45 HA ASP 45 8.150 4.465 -22.743 602 1HB ASP 45 2HB ASP 45 5.299 3.787 -21.998 603 2HB ASP 45 1HB ASP 45 6.038 5.345 -21.663 604 H ILE 46 H ILE 46 6.590 2.067 -20.580 605 HA ILE 46 HA ILE 46 7.478 3.281 -18.145 606 HB ILE 46 HB ILE 46 5.711 1.478 -18.332 607 1HG1 ILE 46 2HG1 ILE 46 7.950 0.908 -16.370 608 2HG1 ILE 46 1HG1 ILE 46 6.790 2.223 -16.198 609 1HG2 ILE 46 1HG2 ILE 46 7.025 -0.870 -17.917 610 2HG2 ILE 46 2HG2 ILE 46 8.067 -0.131 -19.121 611 3HG2 ILE 46 3HG2 ILE 46 6.362 -0.373 -19.469 612 1HD1 ILE 46 1HD1 ILE 46 5.630 -0.463 -16.690 613 2HD1 ILE 46 2HD1 ILE 46 5.085 0.820 -15.610 614 3HD1 ILE 46 3HD1 ILE 46 6.411 -0.236 -15.125 615 H LEU 47 H LEU 47 9.094 1.215 -20.473 616 HA LEU 47 HA LEU 47 11.339 0.511 -18.819 617 1HB LEU 47 2HB LEU 47 10.840 0.588 -21.791 618 2HB LEU 47 1HB LEU 47 12.448 0.248 -21.160 619 HG LEU 47 HG LEU 47 10.167 -1.265 -19.979 620 1HD1 LEU 47 1HD1 LEU 47 9.488 -1.752 -22.132 621 2HD1 LEU 47 2HD1 LEU 47 10.765 -2.955 -21.958 622 3HD1 LEU 47 3HD1 LEU 47 11.084 -1.448 -22.816 623 1HD2 LEU 47 1HD2 LEU 47 12.250 -1.819 -19.044 624 2HD2 LEU 47 2HD2 LEU 47 13.086 -1.681 -20.591 625 3HD2 LEU 47 3HD2 LEU 47 12.042 -3.067 -20.273 626 H GLU 48 H GLU 48 10.798 3.049 -21.263 627 HA GLU 48 HA GLU 48 13.331 4.352 -20.875 628 1HB GLU 48 2HB GLU 48 10.757 5.667 -21.776 629 2HB GLU 48 1HB GLU 48 12.402 6.201 -22.114 630 1HG GLU 48 2HG GLU 48 11.210 3.591 -23.066 631 2HG GLU 48 1HG GLU 48 11.356 5.046 -24.036 632 H VAL 49 H VAL 49 10.122 4.671 -19.461 633 HA VAL 49 HA VAL 49 10.596 7.029 -17.968 634 HB VAL 49 HB VAL 49 8.777 4.674 -17.358 635 1HG1 VAL 49 1HG1 VAL 49 7.664 6.929 -16.186 636 2HG1 VAL 49 2HG1 VAL 49 9.382 7.112 -15.834 637 3HG1 VAL 49 3HG1 VAL 49 8.529 5.654 -15.330 638 1HG2 VAL 49 1HG2 VAL 49 7.217 5.680 -18.699 639 2HG2 VAL 49 2HG2 VAL 49 8.638 6.397 -19.458 640 3HG2 VAL 49 3HG2 VAL 49 7.732 7.306 -18.250 641 H ILE 50 H ILE 50 10.844 3.591 -16.930 642 HA ILE 50 HA ILE 50 12.010 4.083 -14.383 643 HB ILE 50 HB ILE 50 12.573 1.750 -16.241 644 1HG1 ILE 50 2HG1 ILE 50 10.620 1.636 -13.981 645 2HG1 ILE 50 1HG1 ILE 50 10.113 2.446 -15.462 646 1HG2 ILE 50 1HG2 ILE 50 12.724 1.936 -13.219 647 2HG2 ILE 50 2HG2 ILE 50 14.124 2.015 -14.288 648 3HG2 ILE 50 3HG2 ILE 50 13.153 0.545 -14.214 649 1HD1 ILE 50 1HD1 ILE 50 11.230 -0.369 -15.299 650 2HD1 ILE 50 2HD1 ILE 50 10.695 0.442 -16.771 651 3HD1 ILE 50 3HD1 ILE 50 9.529 0.043 -15.511 652 H CYS 51 H CYS 51 13.344 4.353 -17.588 653 HA CYS 51 HA CYS 51 16.119 4.284 -16.785 654 1HB CYS 51 2HB CYS 51 15.116 3.903 -19.152 655 2HB CYS 51 1HB CYS 51 15.063 5.664 -19.251 656 HG CYS 51 HG CYS 51 17.813 4.664 -18.396 657 H LYS 52 H LYS 52 13.780 6.866 -17.527 658 HA LYS 52 HA LYS 52 15.491 9.094 -17.164 659 1HB LYS 52 2HB LYS 52 12.558 8.923 -16.420 660 2HB LYS 52 1HB LYS 52 13.467 10.400 -16.725 661 1HG LYS 52 2HG LYS 52 13.602 10.001 -19.020 662 2HG LYS 52 1HG LYS 52 13.352 8.265 -18.836 663 1HD LYS 52 2HD LYS 52 11.221 8.788 -19.495 664 2HD LYS 52 1HD LYS 52 11.025 9.172 -17.785 665 1HE LYS 52 2HE LYS 52 10.210 11.081 -18.948 666 2HE LYS 52 1HE LYS 52 11.817 11.535 -18.381 667 1HZ LYS 52 1HZ LYS 52 12.722 11.263 -20.490 668 2HZ LYS 52 2HZ LYS 52 11.231 12.018 -20.797 669 3HZ LYS 52 3HZ LYS 52 11.411 10.348 -21.054 670 H TYR 53 H TYR 53 13.835 7.080 -14.807 671 HA TYR 53 HA TYR 53 14.797 8.811 -12.597 672 1HB TYR 53 2HB TYR 53 12.853 6.481 -12.620 673 2HB TYR 53 1HB TYR 53 13.268 7.441 -11.214 674 HD1 TYR 53 HD1 TYR 53 11.809 9.167 -10.636 675 HD2 TYR 53 HD2 TYR 53 12.100 7.983 -14.745 676 HE1 TYR 53 HE1 TYR 53 10.011 10.769 -11.238 677 HE2 TYR 53 HE2 TYR 53 10.318 9.577 -15.350 678 HH TYR 53 HH TYR 53 8.358 10.679 -14.122 679 H VAL 54 H VAL 54 15.542 5.852 -14.228 680 HA VAL 54 HA VAL 54 17.645 5.264 -12.242 681 HB VAL 54 HB VAL 54 15.876 2.948 -13.030 682 1HG1 VAL 54 1HG1 VAL 54 16.891 1.877 -11.198 683 2HG1 VAL 54 2HG1 VAL 54 17.333 3.403 -10.432 684 3HG1 VAL 54 3HG1 VAL 54 18.199 2.853 -11.865 685 1HG2 VAL 54 1HG2 VAL 54 14.566 3.220 -10.967 686 2HG2 VAL 54 2HG2 VAL 54 14.356 4.637 -11.997 687 3HG2 VAL 54 3HG2 VAL 54 15.426 4.715 -10.597 688 H GLN 55 H GLN 55 17.692 2.435 -13.752 689 HA GLN 55 HA GLN 55 18.209 3.114 -16.502 690 1HB GLN 55 2HB GLN 55 20.299 3.676 -14.639 691 2HB GLN 55 1HB GLN 55 20.806 2.298 -15.611 692 1HG GLN 55 2HG GLN 55 20.212 3.585 -17.668 693 2HG GLN 55 1HG GLN 55 19.848 4.980 -16.651 694 1HE2 GLN 55 1HE2 GLN 55 22.234 3.916 -18.608 695 2HE2 GLN 55 2HE2 GLN 55 23.597 4.528 -17.801 696 H ILE 56 H ILE 56 17.336 1.264 -17.244 697 HA ILE 56 HA ILE 56 18.615 -1.305 -16.459 698 HB ILE 56 HB ILE 56 16.224 -2.310 -16.614 699 1HG1 ILE 56 2HG1 ILE 56 15.204 0.212 -15.450 700 2HG1 ILE 56 1HG1 ILE 56 15.530 0.288 -17.181 701 1HG2 ILE 56 1HG2 ILE 56 16.406 -0.703 -14.134 702 2HG2 ILE 56 2HG2 ILE 56 17.839 -1.649 -14.536 703 3HG2 ILE 56 3HG2 ILE 56 16.280 -2.449 -14.344 704 1HD1 ILE 56 1HD1 ILE 56 13.321 -0.503 -17.122 705 2HD1 ILE 56 2HD1 ILE 56 13.616 -1.501 -15.699 706 3HD1 ILE 56 3HD1 ILE 56 14.251 -1.994 -17.267 707 H ASP 57 H ASP 57 17.958 -3.058 -18.059 708 HA ASP 57 HA ASP 57 17.796 -1.854 -20.786 709 1HB ASP 57 2HB ASP 57 19.097 -4.303 -19.650 710 2HB ASP 57 1HB ASP 57 18.575 -4.338 -21.332 711 HA PRO 58 HA PRO 58 13.905 -3.850 -21.483 712 1HB PRO 58 2HB PRO 58 14.102 -4.671 -24.087 713 2HB PRO 58 1HB PRO 58 13.888 -2.978 -23.613 714 1HG PRO 58 2HG PRO 58 16.328 -4.380 -24.565 715 2HG PRO 58 1HG PRO 58 15.832 -2.696 -24.790 716 1HD PRO 58 2HD PRO 58 17.739 -3.567 -22.951 717 2HD PRO 58 1HD PRO 58 16.878 -2.015 -22.869 718 H GLU 59 H GLU 59 16.798 -5.686 -22.250 719 HA GLU 59 HA GLU 59 15.546 -8.273 -22.446 720 1HB GLU 59 2HB GLU 59 18.349 -7.341 -21.814 721 2HB GLU 59 1HB GLU 59 17.918 -9.051 -21.752 722 1HG GLU 59 2HG GLU 59 16.951 -8.708 -24.118 723 2HG GLU 59 1HG GLU 59 17.851 -7.191 -24.130 724 H MET 60 H MET 60 16.091 -6.129 -19.789 725 HA MET 60 HA MET 60 15.993 -8.312 -17.793 726 1HB MET 60 2HB MET 60 16.510 -5.346 -17.692 727 2HB MET 60 1HB MET 60 16.103 -6.229 -16.227 728 1HG MET 60 2HG MET 60 18.119 -7.667 -17.751 729 2HG MET 60 1HG MET 60 18.647 -6.018 -17.434 730 1HE MET 60 1HE MET 60 19.461 -5.171 -14.974 731 2HE MET 60 2HE MET 60 18.356 -5.605 -13.673 732 3HE MET 60 3HE MET 60 17.716 -4.969 -15.185 733 H VAL 61 H VAL 61 13.704 -6.847 -19.632 734 HA VAL 61 HA VAL 61 11.731 -6.837 -17.391 735 HB VAL 61 HB VAL 61 11.636 -5.149 -19.910 736 1HG1 VAL 61 1HG1 VAL 61 9.661 -4.219 -19.069 737 2HG1 VAL 61 2HG1 VAL 61 10.009 -4.725 -17.417 738 3HG1 VAL 61 3HG1 VAL 61 9.484 -5.912 -18.611 739 1HG2 VAL 61 1HG2 VAL 61 12.805 -4.713 -17.211 740 2HG2 VAL 61 2HG2 VAL 61 11.853 -3.382 -17.867 741 3HG2 VAL 61 3HG2 VAL 61 13.246 -3.992 -18.757 742 H THR 62 H THR 62 10.257 -8.451 -17.624 743 HA THR 62 HA THR 62 9.981 -9.788 -20.229 744 HB THR 62 HB THR 62 8.524 -10.589 -17.718 745 HG1 THR 62 HG1 THR 62 11.214 -11.152 -18.427 746 1HG2 THR 62 1HG2 THR 62 7.851 -12.027 -19.380 747 2HG2 THR 62 2HG2 THR 62 9.326 -12.860 -18.888 748 3HG2 THR 62 3HG2 THR 62 9.335 -11.817 -20.309 749 H VAL 63 H VAL 63 7.785 -10.264 -21.064 750 HA VAL 63 HA VAL 63 5.644 -8.441 -20.114 751 HB VAL 63 HB VAL 63 6.512 -8.602 -23.011 752 1HG1 VAL 63 1HG1 VAL 63 4.817 -7.033 -23.455 753 2HG1 VAL 63 2HG1 VAL 63 4.698 -6.544 -21.765 754 3HG1 VAL 63 3HG1 VAL 63 4.051 -8.103 -22.280 755 1HG2 VAL 63 1HG2 VAL 63 6.908 -6.401 -20.964 756 2HG2 VAL 63 2HG2 VAL 63 7.307 -6.285 -22.678 757 3HG2 VAL 63 3HG2 VAL 63 8.181 -7.416 -21.644 758 H GLN 64 H GLN 64 4.124 -9.981 -19.635 759 HA GLN 64 HA GLN 64 3.595 -12.046 -21.728 760 1HB GLN 64 2HB GLN 64 2.650 -13.421 -19.823 761 2HB GLN 64 1HB GLN 64 4.389 -13.154 -19.740 762 1HG GLN 64 2HG GLN 64 2.809 -11.054 -18.408 763 2HG GLN 64 1HG GLN 64 2.614 -12.648 -17.685 764 1HE2 GLN 64 1HE2 GLN 64 4.028 -12.732 -15.925 765 2HE2 GLN 64 2HE2 GLN 64 5.654 -12.247 -15.966 766 H LEU 65 H LEU 65 1.602 -11.917 -22.663 767 HA LEU 65 HA LEU 65 -0.401 -10.136 -21.391 768 1HB LEU 65 2HB LEU 65 -1.438 -10.123 -23.653 769 2HB LEU 65 1HB LEU 65 0.198 -9.484 -23.640 770 HG LEU 65 HG LEU 65 0.281 -12.348 -24.060 771 1HD1 LEU 65 1HD1 LEU 65 -1.213 -10.896 -26.238 772 2HD1 LEU 65 2HD1 LEU 65 -2.072 -11.746 -24.955 773 3HD1 LEU 65 3HD1 LEU 65 -0.988 -12.632 -26.027 774 1HD2 LEU 65 1HD2 LEU 65 2.108 -10.995 -24.753 775 2HD2 LEU 65 2HD2 LEU 65 1.055 -9.880 -25.623 776 3HD2 LEU 65 3HD2 LEU 65 1.332 -11.504 -26.253 777 H GLU 66 H GLU 66 -2.070 -11.075 -20.384 778 HA GLU 66 HA GLU 66 -2.839 -13.853 -21.172 779 1HB GLU 66 2HB GLU 66 -3.005 -12.362 -18.551 780 2HB GLU 66 1HB GLU 66 -3.972 -13.802 -18.840 781 1HG GLU 66 2HG GLU 66 -0.950 -13.612 -18.984 782 2HG GLU 66 1HG GLU 66 -1.873 -14.365 -17.689 783 H GLN 67 H GLN 67 -5.323 -14.180 -20.564 784 HA GLN 67 HA GLN 67 -6.930 -11.765 -21.155 785 1HB GLN 67 2HB GLN 67 -6.691 -14.157 -22.984 786 2HB GLN 67 1HB GLN 67 -8.147 -13.167 -22.968 787 1HG GLN 67 2HG GLN 67 -7.084 -11.833 -24.452 788 2HG GLN 67 1HG GLN 67 -6.116 -11.277 -23.089 789 1HE2 GLN 67 1HE2 GLN 67 -5.664 -12.234 -26.159 790 2HE2 GLN 67 2HE2 GLN 67 -4.193 -13.069 -26.022 791 H LYS 68 H LYS 68 -9.177 -12.062 -20.626 792 HA LYS 68 HA LYS 68 -9.666 -14.451 -18.898 793 1HB LYS 68 2HB LYS 68 -10.786 -11.651 -18.858 794 2HB LYS 68 1HB LYS 68 -11.561 -12.971 -17.988 795 1HG LYS 68 2HG LYS 68 -9.993 -12.960 -16.357 796 2HG LYS 68 1HG LYS 68 -8.669 -12.864 -17.516 797 1HD LYS 68 2HD LYS 68 -8.689 -10.851 -16.130 798 2HD LYS 68 1HD LYS 68 -9.120 -10.429 -17.787 799 1HE LYS 68 2HE LYS 68 -10.695 -9.290 -16.405 800 2HE LYS 68 1HE LYS 68 -11.560 -10.679 -17.062 801 1HZ LYS 68 1HZ LYS 68 -11.812 -10.301 -14.611 802 2HZ LYS 68 2HZ LYS 68 -10.179 -10.737 -14.441 803 3HZ LYS 68 3HZ LYS 68 -11.301 -11.856 -15.054 804 H ASP 69 H ASP 69 -12.056 -15.118 -18.866 805 HA ASP 69 HA ASP 69 -12.895 -15.680 -21.572 806 1HB ASP 69 2HB ASP 69 -14.380 -16.140 -18.974 807 2HB ASP 69 1HB ASP 69 -14.736 -16.898 -20.527 808 H GLY 70 H GLY 70 -13.354 -12.943 -19.636 809 1HA GLY 70 2HA GLY 70 -16.038 -12.353 -20.754 810 2HA GLY 70 1HA GLY 70 -15.223 -11.423 -19.498 811 H ASP 71 H ASP 71 -13.618 -12.427 -22.458 812 HA ASP 71 HA ASP 71 -12.661 -11.177 -24.191 813 1HB ASP 71 2HB ASP 71 -15.191 -9.644 -23.610 814 2HB ASP 71 1HB ASP 71 -14.036 -9.051 -24.803 815 H ILE 72 H ILE 72 -11.417 -10.870 -21.801 816 HA ILE 72 HA ILE 72 -10.733 -7.962 -21.766 817 HB ILE 72 HB ILE 72 -10.624 -9.791 -19.361 818 1HG1 ILE 72 2HG1 ILE 72 -12.839 -7.955 -20.324 819 2HG1 ILE 72 1HG1 ILE 72 -12.950 -9.681 -20.022 820 1HG2 ILE 72 1HG2 ILE 72 -10.441 -7.683 -18.139 821 2HG2 ILE 72 2HG2 ILE 72 -10.633 -6.774 -19.636 822 3HG2 ILE 72 3HG2 ILE 72 -9.191 -7.755 -19.379 823 1HD1 ILE 72 1HD1 ILE 72 -12.010 -8.447 -17.620 824 2HD1 ILE 72 2HD1 ILE 72 -13.540 -9.278 -17.891 825 3HD1 ILE 72 3HD1 ILE 72 -13.415 -7.543 -18.181 826 H SER 73 H SER 73 -8.474 -7.523 -21.222 827 HA SER 73 HA SER 73 -6.686 -9.857 -21.804 828 1HB SER 73 2HB SER 73 -5.948 -6.975 -22.306 829 2HB SER 73 1HB SER 73 -5.243 -8.427 -23.009 830 HG SER 73 HG SER 73 -6.709 -8.344 -24.503 831 H ILE 74 H ILE 74 -4.493 -9.631 -20.815 832 HA ILE 74 HA ILE 74 -4.369 -7.941 -18.382 833 HB ILE 74 HB ILE 74 -4.234 -10.967 -18.396 834 1HG1 ILE 74 2HG1 ILE 74 -6.100 -9.015 -17.028 835 2HG1 ILE 74 1HG1 ILE 74 -6.508 -10.072 -18.370 836 1HG2 ILE 74 1HG2 ILE 74 -2.496 -10.148 -16.913 837 2HG2 ILE 74 2HG2 ILE 74 -3.840 -10.726 -15.927 838 3HG2 ILE 74 3HG2 ILE 74 -3.611 -8.995 -16.180 839 1HD1 ILE 74 1HD1 ILE 74 -5.344 -11.631 -16.232 840 2HD1 ILE 74 2HD1 ILE 74 -6.938 -11.779 -16.971 841 3HD1 ILE 74 3HD1 ILE 74 -6.695 -10.676 -15.618 842 H LEU 75 H LEU 75 -2.575 -6.903 -19.473 843 HA LEU 75 HA LEU 75 -0.292 -8.541 -20.288 844 1HB LEU 75 2HB LEU 75 -0.961 -6.510 -21.573 845 2HB LEU 75 1HB LEU 75 -0.523 -5.529 -20.178 846 HG LEU 75 HG LEU 75 1.534 -7.465 -21.090 847 1HD1 LEU 75 1HD1 LEU 75 1.264 -6.820 -23.269 848 2HD1 LEU 75 2HD1 LEU 75 2.155 -5.397 -22.729 849 3HD1 LEU 75 3HD1 LEU 75 0.396 -5.349 -22.833 850 1HD2 LEU 75 1HD2 LEU 75 2.929 -5.347 -20.700 851 2HD2 LEU 75 2HD2 LEU 75 2.107 -6.008 -19.287 852 3HD2 LEU 75 3HD2 LEU 75 1.441 -4.601 -20.117 853 H GLU 76 H GLU 76 1.011 -9.303 -18.717 854 HA GLU 76 HA GLU 76 1.522 -7.591 -16.319 855 1HB GLU 76 2HB GLU 76 2.126 -10.545 -16.606 856 2HB GLU 76 1HB GLU 76 2.069 -9.599 -15.122 857 1HG GLU 76 2HG GLU 76 -0.304 -9.369 -15.241 858 2HG GLU 76 1HG GLU 76 -0.349 -9.944 -16.907 859 H LEU 77 H LEU 77 3.349 -6.375 -16.822 860 HA LEU 77 HA LEU 77 5.560 -7.751 -18.243 861 1HB LEU 77 2HB LEU 77 6.528 -5.535 -18.568 862 2HB LEU 77 1HB LEU 77 4.851 -5.543 -19.098 863 HG LEU 77 HG LEU 77 4.884 -4.850 -16.315 864 1HD1 LEU 77 1HD1 LEU 77 6.474 -3.224 -16.062 865 2HD1 LEU 77 2HD1 LEU 77 6.405 -2.749 -17.757 866 3HD1 LEU 77 3HD1 LEU 77 7.319 -4.177 -17.279 867 1HD2 LEU 77 1HD2 LEU 77 3.123 -4.117 -17.764 868 2HD2 LEU 77 2HD2 LEU 77 4.264 -3.370 -18.882 869 3HD2 LEU 77 3HD2 LEU 77 3.999 -2.661 -17.289 870 H ASN 78 H ASN 78 7.333 -8.433 -17.198 871 HA ASN 78 HA ASN 78 7.577 -7.938 -14.301 872 1HB ASN 78 2HB ASN 78 9.284 -9.604 -16.161 873 2HB ASN 78 1HB ASN 78 9.291 -9.659 -14.406 874 1HD2 ASN 78 1HD2 ASN 78 8.088 -11.362 -13.583 875 2HD2 ASN 78 2HD2 ASN 78 6.703 -12.018 -14.305 876 H VAL 79 H VAL 79 9.262 -6.724 -13.419 877 HA VAL 79 HA VAL 79 11.147 -5.479 -15.381 878 HB VAL 79 HB VAL 79 10.063 -4.143 -12.890 879 1HG1 VAL 79 1HG1 VAL 79 11.161 -2.215 -13.683 880 2HG1 VAL 79 2HG1 VAL 79 11.317 -2.865 -15.315 881 3HG1 VAL 79 3HG1 VAL 79 12.317 -3.504 -14.011 882 1HG2 VAL 79 1HG2 VAL 79 9.008 -4.354 -15.673 883 2HG2 VAL 79 2HG2 VAL 79 8.952 -2.759 -14.921 884 3HG2 VAL 79 3HG2 VAL 79 8.136 -4.124 -14.158 885 H THR 80 H THR 80 12.811 -6.964 -14.911 886 HA THR 80 HA THR 80 13.665 -7.447 -12.159 887 HB THR 80 HB THR 80 15.085 -8.068 -14.768 888 HG1 THR 80 HG1 THR 80 13.415 -9.349 -14.913 889 1HG2 THR 80 1HG2 THR 80 16.144 -9.856 -13.293 890 2HG2 THR 80 2HG2 THR 80 15.472 -8.987 -11.913 891 3HG2 THR 80 3HG2 THR 80 16.649 -8.199 -12.962 892 H LEU 81 H LEU 81 14.163 -5.336 -11.357 893 HA LEU 81 HA LEU 81 16.092 -3.655 -12.770 894 1HB LEU 81 2HB LEU 81 14.950 -3.420 -9.968 895 2HB LEU 81 1HB LEU 81 15.823 -2.166 -10.842 896 HG LEU 81 HG LEU 81 13.359 -3.420 -12.027 897 1HD1 LEU 81 1HD1 LEU 81 13.536 -1.190 -9.989 898 2HD1 LEU 81 2HD1 LEU 81 12.553 -2.653 -9.911 899 3HD1 LEU 81 3HD1 LEU 81 12.153 -1.382 -11.066 900 1HD2 LEU 81 1HD2 LEU 81 13.353 -0.871 -12.829 901 2HD2 LEU 81 2HD2 LEU 81 14.332 -2.087 -13.649 902 3HD2 LEU 81 3HD2 LEU 81 15.073 -1.009 -12.467 903 HA PRO 82 HA PRO 82 19.580 -5.588 -10.702 904 1HB PRO 82 2HB PRO 82 21.505 -3.869 -11.586 905 2HB PRO 82 1HB PRO 82 20.770 -5.114 -12.607 906 1HG PRO 82 2HG PRO 82 20.409 -2.193 -12.666 907 2HG PRO 82 1HG PRO 82 20.144 -3.390 -13.941 908 1HD PRO 82 2HD PRO 82 18.163 -2.132 -12.313 909 2HD PRO 82 1HD PRO 82 17.919 -3.428 -13.505 910 H GLU 83 H GLU 83 21.626 -4.618 -9.411 911 HA GLU 83 HA GLU 83 20.638 -3.396 -7.049 912 1HB GLU 83 2HB GLU 83 23.237 -4.220 -8.118 913 2HB GLU 83 1HB GLU 83 23.359 -2.802 -7.080 914 1HG GLU 83 2HG GLU 83 22.047 -4.016 -5.336 915 2HG GLU 83 1HG GLU 83 22.071 -5.450 -6.362 916 H ALA 84 H ALA 84 22.232 -1.304 -6.344 917 HA ALA 84 HA ALA 84 22.555 0.753 -8.281 918 1HB ALA 84 1HB ALA 84 19.862 0.489 -7.043 919 2HB ALA 84 2HB ALA 84 20.317 1.164 -8.608 920 3HB ALA 84 3HB ALA 84 20.531 2.118 -7.140 921 H GLU 85 H GLU 85 24.297 1.601 -7.236 922 HA GLU 85 HA GLU 85 24.007 3.156 -4.865 923 1HB GLU 85 2HB GLU 85 23.879 0.868 -3.837 924 2HB GLU 85 1HB GLU 85 25.500 0.550 -4.457 925 1HG GLU 85 2HG GLU 85 26.067 2.830 -3.236 926 2HG GLU 85 1HG GLU 85 24.637 2.425 -2.285 927 H GLU 86 H GLU 86 25.185 4.648 -6.126 928 HA GLU 86 HA GLU 86 27.112 5.706 -6.941 929 1HB GLU 86 2HB GLU 86 27.861 4.605 -4.591 930 2HB GLU 86 1HB GLU 86 28.929 3.716 -5.678 931 1HG GLU 86 2HG GLU 86 30.222 5.600 -5.241 932 2HG GLU 86 1HG GLU 86 29.376 6.108 -6.703 933 H LEU 87 H LEU 87 25.884 3.503 -8.443 934 HA LEU 87 HA LEU 87 28.292 2.470 -9.891 935 1HB LEU 87 2HB LEU 87 26.435 0.909 -8.769 936 2HB LEU 87 1HB LEU 87 25.598 1.239 -10.286 937 HG LEU 87 HG LEU 87 27.946 0.658 -11.349 938 1HD1 LEU 87 1HD1 LEU 87 28.804 0.431 -8.870 939 2HD1 LEU 87 2HD1 LEU 87 29.353 -0.715 -10.092 940 3HD1 LEU 87 3HD1 LEU 87 28.071 -1.171 -8.969 941 1HD2 LEU 87 1HD2 LEU 87 25.645 -0.588 -11.390 942 2HD2 LEU 87 2HD2 LEU 87 26.403 -1.669 -10.221 943 3HD2 LEU 87 3HD2 LEU 87 27.100 -1.481 -11.829 944 H LYS 88 HN LYS 88 28.574 3.291 -11.903 945 HA LYS 88 HA LYS 88 26.192 4.442 -13.302 946 1HB LYS 88 2HB LYS 88 28.909 5.566 -12.808 947 2HB LYS 88 1HB LYS 88 28.188 5.877 -14.388 948 1HG LYS 88 2HG LYS 88 26.403 7.079 -13.490 949 2HG LYS 88 1HG LYS 88 26.539 6.297 -11.914 950 1HD LYS 88 2HD LYS 88 27.380 8.506 -11.600 951 2HD LYS 88 1HD LYS 88 28.804 7.468 -11.691 952 1HE LYS 88 2HE LYS 88 28.557 8.027 -14.300 953 2HE LYS 88 1HE LYS 88 27.792 9.477 -13.650 954 1HZ LYS 88 1HZ LYS 88 30.193 9.742 -13.943 955 2HZ LYS 88 2HZ LYS 88 30.468 8.462 -12.861 956 3HZ LYS 88 3HZ LYS 88 29.737 9.895 -12.317 Start of MODEL 8 1 1H ARG 31 1H ARG 31 2.814 0.510 2.630 2 2H ARG 31 2H ARG 31 4.331 0.586 3.391 3 3H ARG 31 3H ARG 31 3.959 -0.711 2.361 4 HA ARG 31 HA ARG 31 3.771 0.871 0.491 5 1HB ARG 31 2HB ARG 31 3.566 2.760 2.421 6 2HB ARG 31 1HB ARG 31 5.290 2.882 2.068 7 1HG ARG 31 2HG ARG 31 4.937 3.565 -0.120 8 2HG ARG 31 1HG ARG 31 3.367 2.768 -0.224 9 1HD ARG 31 2HD ARG 31 3.721 5.036 1.707 10 2HD ARG 31 1HD ARG 31 3.498 5.395 -0.005 11 HE ARG 31 HE ARG 31 1.441 4.499 1.801 12 1HH1 ARG 31 1HH2 ARG 31 2.584 4.178 -1.489 13 2HH1 ARG 31 2HH2 ARG 31 1.012 3.803 -2.104 14 1HH2 ARG 31 1HH1 ARG 31 -0.575 4.012 0.961 15 2HH2 ARG 31 2HH1 ARG 31 -0.758 3.709 -0.734 16 H SER 32 H SER 32 5.271 -1.262 0.872 17 HA SER 32 HA SER 32 8.032 -0.921 1.451 18 1HB SER 32 2HB SER 32 7.032 -2.868 -0.613 19 2HB SER 32 1HB SER 32 8.352 -3.064 0.537 20 HG SER 32 HG SER 32 5.579 -3.236 0.913 21 H ASP 33 H ASP 33 6.187 0.079 -1.310 22 HA ASP 33 HA ASP 33 8.542 0.245 -3.043 23 1HB ASP 33 2HB ASP 33 5.770 1.336 -3.558 24 2HB ASP 33 1HB ASP 33 7.036 1.037 -4.749 25 H ALA 34 H ALA 34 7.933 1.980 -0.458 26 HA ALA 34 HA ALA 34 8.105 4.660 -1.642 27 1HB ALA 34 1HB ALA 34 8.333 5.147 0.980 28 2HB ALA 34 2HB ALA 34 7.596 3.547 1.075 29 3HB ALA 34 3HB ALA 34 6.767 4.850 0.224 30 H GLU 35 H GLU 35 10.187 2.183 -0.470 31 HA GLU 35 HA GLU 35 12.346 3.638 0.600 32 1HB GLU 35 2HB GLU 35 12.584 1.152 -1.115 33 2HB GLU 35 1HB GLU 35 13.718 1.713 0.107 34 1HG GLU 35 2HG GLU 35 11.001 1.445 1.167 35 2HG GLU 35 1HG GLU 35 11.621 -0.073 0.523 36 HA PRO 36 HA PRO 36 14.082 4.262 -3.816 37 1HB PRO 36 2HB PRO 36 12.525 3.617 -5.965 38 2HB PRO 36 1HB PRO 36 13.592 2.461 -5.155 39 1HG PRO 36 2HG PRO 36 10.665 2.607 -5.158 40 2HG PRO 36 1HG PRO 36 11.725 1.248 -4.758 41 1HD PRO 36 2HD PRO 36 10.345 3.006 -2.948 42 2HD PRO 36 1HD PRO 36 11.398 1.643 -2.548 43 H HIS 37 H HIS 37 10.535 4.716 -4.012 44 HA HIS 37 HA HIS 37 9.267 6.670 -4.196 45 1HB HIS 37 2HB HIS 37 11.532 7.663 -3.034 46 2HB HIS 37 1HB HIS 37 11.530 8.541 -4.562 47 HD1 HIS 37 HD1 HIS 37 10.412 9.045 -1.296 48 HD2 HIS 37 HD2 HIS 37 8.516 9.418 -4.991 49 HE1 HIS 37 HE1 HIS 37 8.418 10.563 -0.929 50 H TYR 38 H TYR 38 11.402 5.478 -6.492 51 HA TYR 38 HA TYR 38 10.274 7.289 -8.578 52 1HB TYR 38 2HB TYR 38 12.247 6.528 -9.976 53 2HB TYR 38 1HB TYR 38 12.673 7.522 -8.585 54 HD1 TYR 38 HD1 TYR 38 12.716 4.116 -10.000 55 HD2 TYR 38 HD2 TYR 38 13.805 6.574 -6.649 56 HE1 TYR 38 HE1 TYR 38 14.188 2.309 -9.151 57 HE2 TYR 38 HE2 TYR 38 15.274 4.766 -5.800 58 HH TYR 38 HH TYR 38 16.552 2.726 -6.994 59 H LEU 39 H LEU 39 11.004 3.963 -7.642 60 HA LEU 39 HA LEU 39 10.223 2.555 -9.930 61 1HB LEU 39 2HB LEU 39 10.773 1.953 -7.230 62 2HB LEU 39 1HB LEU 39 9.188 1.256 -7.550 63 HG LEU 39 HG LEU 39 10.921 -0.384 -8.093 64 1HD1 LEU 39 1HD1 LEU 39 10.130 -1.026 -10.198 65 2HD1 LEU 39 2HD1 LEU 39 10.067 0.633 -10.791 66 3HD1 LEU 39 3HD1 LEU 39 8.850 0.057 -9.653 67 1HD2 LEU 39 1HD2 LEU 39 12.108 1.979 -9.462 68 2HD2 LEU 39 2HD2 LEU 39 12.330 0.415 -10.246 69 3HD2 LEU 39 3HD2 LEU 39 12.901 0.664 -8.596 70 HA PRO 40 HA PRO 40 5.622 2.737 -8.474 71 1HB PRO 40 2HB PRO 40 4.952 4.609 -6.591 72 2HB PRO 40 1HB PRO 40 5.396 2.940 -6.209 73 1HG PRO 40 2HG PRO 40 6.976 5.429 -5.902 74 2HG PRO 40 1HG PRO 40 7.017 3.938 -4.953 75 1HD PRO 40 2HD PRO 40 8.882 4.668 -6.889 76 2HD PRO 40 1HD PRO 40 8.650 3.021 -6.264 77 H GLN 41 H GLN 41 7.604 5.535 -8.957 78 HA GLN 41 HA GLN 41 5.478 7.285 -9.919 79 1HB GLN 41 2HB GLN 41 7.456 8.353 -9.061 80 2HB GLN 41 1HB GLN 41 8.508 7.357 -10.055 81 1HG GLN 41 2HG GLN 41 8.293 9.673 -10.946 82 2HG GLN 41 1HG GLN 41 7.700 8.467 -12.086 83 1HE2 GLN 41 1HE2 GLN 41 6.007 9.721 -9.181 84 2HE2 GLN 41 2HE2 GLN 41 4.700 10.380 -10.040 85 H LEU 42 H LEU 42 7.728 4.932 -11.255 86 HA LEU 42 HA LEU 42 7.191 5.573 -14.014 87 1HB LEU 42 2HB LEU 42 8.425 3.138 -12.711 88 2HB LEU 42 1HB LEU 42 8.346 3.387 -14.437 89 HG LEU 42 HG LEU 42 10.202 4.665 -14.421 90 1HD1 LEU 42 1HD1 LEU 42 8.820 6.622 -13.604 91 2HD1 LEU 42 2HD1 LEU 42 10.520 6.679 -13.146 92 3HD1 LEU 42 3HD1 LEU 42 9.308 6.196 -11.966 93 1HD2 LEU 42 1HD2 LEU 42 10.147 3.595 -11.630 94 2HD2 LEU 42 2HD2 LEU 42 11.421 4.727 -12.081 95 3HD2 LEU 42 3HD2 LEU 42 11.242 3.208 -12.956 96 H ARG 43 H ARG 43 6.048 3.063 -11.747 97 HA ARG 43 HA ARG 43 4.455 1.647 -13.648 98 1HB ARG 43 2HB ARG 43 3.333 0.665 -11.726 99 2HB ARG 43 1HB ARG 43 5.044 0.791 -11.372 100 1HG ARG 43 2HG ARG 43 4.614 2.888 -10.131 101 2HG ARG 43 1HG ARG 43 2.889 2.689 -10.423 102 1HD ARG 43 2HD ARG 43 3.044 0.433 -9.300 103 2HD ARG 43 1HD ARG 43 4.700 0.840 -8.849 104 HE ARG 43 HE ARG 43 2.971 2.954 -8.012 105 1HH1 ARG 43 1HH2 ARG 43 3.745 -0.373 -7.259 106 2HH1 ARG 43 2HH2 ARG 43 3.289 -0.208 -5.600 107 1HH2 ARG 43 2HH1 ARG 43 2.392 3.121 -5.858 108 2HH2 ARG 43 1HH1 ARG 43 2.531 1.747 -4.813 109 H LYS 44 H LYS 44 3.705 4.420 -11.521 110 HA LYS 44 HA LYS 44 0.962 4.544 -12.303 111 1HB LYS 44 2HB LYS 44 0.941 6.748 -11.287 112 2HB LYS 44 1HB LYS 44 1.886 5.675 -10.269 113 1HG LYS 44 2HG LYS 44 3.940 6.627 -11.002 114 2HG LYS 44 1HG LYS 44 3.176 7.444 -12.359 115 1HD LYS 44 2HD LYS 44 1.961 8.191 -9.804 116 2HD LYS 44 1HD LYS 44 3.682 8.566 -9.862 117 1HE LYS 44 2HE LYS 44 3.412 9.888 -11.849 118 2HE LYS 44 1HE LYS 44 1.756 9.328 -12.069 119 1HZ LYS 44 1HZ LYS 44 2.822 11.163 -10.016 120 2HZ LYS 44 2HZ LYS 44 1.354 10.341 -9.781 121 3HZ LYS 44 3HZ LYS 44 1.534 11.408 -11.091 122 H ASP 45 H ASP 45 3.963 5.748 -13.675 123 HA ASP 45 HA ASP 45 2.839 7.578 -15.552 124 1HB ASP 45 2HB ASP 45 5.399 5.970 -15.560 125 2HB ASP 45 1HB ASP 45 4.995 7.122 -16.823 126 H ILE 46 H ILE 46 3.629 4.089 -15.774 127 HA ILE 46 HA ILE 46 2.789 3.804 -18.503 128 HB ILE 46 HB ILE 46 4.162 2.117 -17.202 129 1HG1 ILE 46 2HG1 ILE 46 1.677 1.028 -18.553 130 2HG1 ILE 46 1HG1 ILE 46 3.073 1.682 -19.409 131 1HG2 ILE 46 1HG2 ILE 46 2.377 0.329 -16.201 132 2HG2 ILE 46 2HG2 ILE 46 1.607 1.837 -15.729 133 3HG2 ILE 46 3HG2 ILE 46 3.254 1.496 -15.220 134 1HD1 ILE 46 1HD1 ILE 46 4.498 -0.018 -18.194 135 2HD1 ILE 46 2HD1 ILE 46 3.342 -0.710 -19.332 136 3HD1 ILE 46 3HD1 ILE 46 3.005 -0.747 -17.600 137 H LEU 47 H LEU 47 1.026 3.938 -15.475 138 HA LEU 47 HA LEU 47 -1.468 2.912 -16.470 139 1HB LEU 47 2HB LEU 47 -0.678 4.638 -14.127 140 2HB LEU 47 1HB LEU 47 -2.373 4.353 -14.499 141 HG LEU 47 HG LEU 47 -0.374 2.110 -14.175 142 1HD1 LEU 47 1HD1 LEU 47 -0.931 3.757 -12.134 143 2HD1 LEU 47 2HD1 LEU 47 -0.762 2.015 -11.908 144 3HD1 LEU 47 3HD1 LEU 47 -2.366 2.735 -12.046 145 1HD2 LEU 47 1HD2 LEU 47 -2.162 0.709 -14.433 146 2HD2 LEU 47 2HD2 LEU 47 -2.848 2.082 -15.299 147 3HD2 LEU 47 3HD2 LEU 47 -3.272 1.803 -13.611 148 H GLU 48 H GLU 48 -0.166 6.198 -16.032 149 HA GLU 48 HA GLU 48 -2.406 7.543 -17.230 150 1HB GLU 48 2HB GLU 48 0.462 8.512 -17.162 151 2HB GLU 48 1HB GLU 48 -0.991 9.501 -17.311 152 1HG GLU 48 2HG GLU 48 -0.341 7.770 -14.921 153 2HG GLU 48 1HG GLU 48 -0.037 9.497 -15.017 154 H VAL 49 H VAL 49 0.668 6.277 -18.419 155 HA VAL 49 HA VAL 49 0.503 7.323 -21.043 156 HB VAL 49 HB VAL 49 1.764 4.722 -20.102 157 1HG1 VAL 49 1HG1 VAL 49 2.427 6.299 -22.603 158 2HG1 VAL 49 2HG1 VAL 49 1.309 4.937 -22.608 159 3HG1 VAL 49 3HG1 VAL 49 2.994 4.691 -22.157 160 1HG2 VAL 49 1HG2 VAL 49 3.418 7.072 -20.827 161 2HG2 VAL 49 2HG2 VAL 49 3.593 5.943 -19.484 162 3HG2 VAL 49 3HG2 VAL 49 2.438 7.271 -19.374 163 H ILE 50 H ILE 50 -0.458 4.058 -19.863 164 HA ILE 50 HA ILE 50 -1.762 3.199 -22.236 165 HB ILE 50 HB ILE 50 -2.572 2.566 -19.378 166 1HG1 ILE 50 2HG1 ILE 50 -0.882 0.775 -21.079 167 2HG1 ILE 50 1HG1 ILE 50 -0.108 2.148 -20.288 168 1HG2 ILE 50 1HG2 ILE 50 -2.963 0.975 -21.925 169 2HG2 ILE 50 2HG2 ILE 50 -4.218 1.958 -21.172 170 3HG2 ILE 50 3HG2 ILE 50 -3.561 0.561 -20.318 171 1HD1 ILE 50 1HD1 ILE 50 -0.910 1.394 -18.109 172 2HD1 ILE 50 2HD1 ILE 50 -0.045 0.074 -18.897 173 3HD1 ILE 50 3HD1 ILE 50 -1.808 0.078 -18.866 174 H CYS 51 H CYS 51 -2.718 5.547 -19.843 175 HA CYS 51 HA CYS 51 -5.521 5.598 -20.533 176 1HB CYS 51 2HB CYS 51 -4.365 6.479 -18.375 177 2HB CYS 51 1HB CYS 51 -4.003 7.911 -19.337 178 HG CYS 51 HG CYS 51 -6.423 8.557 -19.342 179 H LYS 52 H LYS 52 -2.700 7.603 -21.390 180 HA LYS 52 HA LYS 52 -4.020 9.478 -23.056 181 1HB LYS 52 2HB LYS 52 -1.254 8.336 -23.527 182 2HB LYS 52 1HB LYS 52 -1.865 9.879 -24.109 183 1HG LYS 52 2HG LYS 52 -1.684 10.887 -22.046 184 2HG LYS 52 1HG LYS 52 -1.956 9.384 -21.166 185 1HD LYS 52 2HD LYS 52 0.305 9.500 -20.814 186 2HD LYS 52 1HD LYS 52 0.375 8.774 -22.420 187 1HE LYS 52 2HE LYS 52 1.776 10.600 -22.719 188 2HE LYS 52 1HE LYS 52 0.233 11.292 -23.218 189 1HZ LYS 52 1HZ LYS 52 1.554 12.645 -21.597 190 2HZ LYS 52 2HZ LYS 52 1.244 11.443 -20.436 191 3HZ LYS 52 3HZ LYS 52 -0.042 12.314 -21.127 192 H TYR 53 H TYR 53 -3.042 6.169 -23.673 193 HA TYR 53 HA TYR 53 -3.812 6.412 -26.528 194 1HB TYR 53 2HB TYR 53 -2.444 4.192 -24.979 195 2HB TYR 53 1HB TYR 53 -2.787 4.151 -26.698 196 HD1 TYR 53 HD1 TYR 53 -1.183 6.495 -24.229 197 HD2 TYR 53 HD2 TYR 53 -1.037 4.719 -28.127 198 HE1 TYR 53 HE1 TYR 53 0.952 7.650 -24.654 199 HE2 TYR 53 HE2 TYR 53 1.113 5.882 -28.561 200 HH TYR 53 HH TYR 53 3.076 6.847 -26.758 201 H VAL 54 H VAL 54 -4.964 5.176 -23.482 202 HA VAL 54 HA VAL 54 -7.386 4.134 -24.813 203 HB VAL 54 HB VAL 54 -6.055 2.282 -22.837 204 1HG1 VAL 54 1HG1 VAL 54 -7.648 1.488 -25.250 205 2HG1 VAL 54 2HG1 VAL 54 -8.486 2.190 -23.866 206 3HG1 VAL 54 3HG1 VAL 54 -7.547 0.709 -23.670 207 1HG2 VAL 54 1HG2 VAL 54 -5.001 1.044 -24.686 208 2HG2 VAL 54 2HG2 VAL 54 -4.357 2.683 -24.613 209 3HG2 VAL 54 3HG2 VAL 54 -5.556 2.261 -25.835 210 H GLN 55 H GLN 55 -7.830 2.715 -21.974 211 HA GLN 55 HA GLN 55 -7.839 4.880 -20.082 212 1HB GLN 55 2HB GLN 55 -10.030 4.756 -21.963 213 2HB GLN 55 1HB GLN 55 -10.627 4.475 -20.329 214 1HG GLN 55 2HG GLN 55 -9.648 6.536 -19.540 215 2HG GLN 55 1HG GLN 55 -8.809 6.782 -21.073 216 1HE2 GLN 55 1HE2 GLN 55 -9.874 8.682 -21.807 217 2HE2 GLN 55 2HE2 GLN 55 -11.544 8.766 -22.094 218 H ILE 56 H ILE 56 -7.371 3.623 -18.376 219 HA ILE 56 HA ILE 56 -9.238 1.409 -17.686 220 HB ILE 56 HB ILE 56 -7.124 0.144 -16.874 221 1HG1 ILE 56 2HG1 ILE 56 -5.664 1.344 -19.154 222 2HG1 ILE 56 1HG1 ILE 56 -5.830 2.398 -17.750 223 1HG2 ILE 56 1HG2 ILE 56 -8.702 -0.109 -19.042 224 2HG2 ILE 56 2HG2 ILE 56 -7.328 -1.170 -18.733 225 3HG2 ILE 56 3HG2 ILE 56 -7.161 0.190 -19.843 226 1HD1 ILE 56 1HD1 ILE 56 -5.148 0.103 -16.498 227 2HD1 ILE 56 2HD1 ILE 56 -3.951 1.269 -17.063 228 3HD1 ILE 56 3HD1 ILE 56 -4.325 -0.153 -18.037 229 H ASP 57 H ASP 57 -8.864 0.734 -15.350 230 HA ASP 57 HA ASP 57 -8.261 3.169 -13.739 231 1HB ASP 57 2HB ASP 57 -10.052 0.790 -13.369 232 2HB ASP 57 1HB ASP 57 -9.442 1.621 -11.940 233 HA PRO 58 HA PRO 58 -4.749 1.192 -11.902 234 1HB PRO 58 2HB PRO 58 -4.894 2.011 -9.294 235 2HB PRO 58 1HB PRO 58 -4.414 3.076 -10.624 236 1HG PRO 58 2HG PRO 58 -6.991 2.940 -9.149 237 2HG PRO 58 1HG PRO 58 -6.179 4.332 -9.882 238 1HD PRO 58 2HD PRO 58 -8.345 2.981 -11.000 239 2HD PRO 58 1HD PRO 58 -7.219 4.021 -11.899 240 H GLU 59 H GLU 59 -7.864 0.690 -10.360 241 HA GLU 59 HA GLU 59 -7.092 -1.541 -8.704 242 1HB GLU 59 2HB GLU 59 -9.722 -0.570 -9.828 243 2HB GLU 59 1HB GLU 59 -9.619 -2.074 -8.912 244 1HG GLU 59 2HG GLU 59 -9.103 -0.998 -6.932 245 2HG GLU 59 1HG GLU 59 -8.336 0.364 -7.750 246 H MET 60 H MET 60 -7.454 -1.166 -12.114 247 HA MET 60 HA MET 60 -8.023 -4.019 -12.598 248 1HB MET 60 2HB MET 60 -7.690 -1.569 -14.325 249 2HB MET 60 1HB MET 60 -7.645 -3.176 -15.040 250 1HG MET 60 2HG MET 60 -9.881 -2.752 -13.157 251 2HG MET 60 1HG MET 60 -9.940 -1.734 -14.594 252 1HE MET 60 1HE MET 60 -9.976 -4.032 -17.543 253 2HE MET 60 2HE MET 60 -9.122 -2.670 -16.824 254 3HE MET 60 3HE MET 60 -10.881 -2.638 -16.936 255 H VAL 61 H VAL 61 -5.302 -1.858 -12.359 256 HA VAL 61 HA VAL 61 -3.521 -3.848 -13.655 257 HB VAL 61 HB VAL 61 -2.910 -1.035 -12.704 258 1HG1 VAL 61 1HG1 VAL 61 -0.818 -1.266 -13.706 259 2HG1 VAL 61 2HG1 VAL 61 -1.357 -2.570 -14.764 260 3HG1 VAL 61 3HG1 VAL 61 -1.066 -2.886 -13.054 261 1HG2 VAL 61 1HG2 VAL 61 -4.289 -0.549 -14.475 262 2HG2 VAL 61 2HG2 VAL 61 -4.077 -2.138 -15.211 263 3HG2 VAL 61 3HG2 VAL 61 -2.833 -0.903 -15.403 264 H THR 62 H THR 62 -2.063 -5.019 -12.442 265 HA THR 62 HA THR 62 -2.121 -4.603 -9.511 266 HB THR 62 HB THR 62 -0.988 -7.013 -10.924 267 HG1 THR 62 HG1 THR 62 -2.992 -7.885 -10.946 268 1HG2 THR 62 1HG2 THR 62 -1.892 -8.030 -8.719 269 2HG2 THR 62 2HG2 THR 62 -1.988 -6.361 -8.158 270 3HG2 THR 62 3HG2 THR 62 -0.434 -7.043 -8.636 271 H VAL 63 H VAL 63 -0.022 -5.029 -8.361 272 HA VAL 63 HA VAL 63 2.422 -4.556 -9.958 273 HB VAL 63 HB VAL 63 1.597 -2.755 -7.665 274 1HG1 VAL 63 1HG1 VAL 63 4.079 -3.136 -9.270 275 2HG1 VAL 63 2HG1 VAL 63 3.894 -2.605 -7.599 276 3HG1 VAL 63 3HG1 VAL 63 3.613 -1.472 -8.921 277 1HG2 VAL 63 1HG2 VAL 63 1.582 -2.379 -10.663 278 2HG2 VAL 63 2HG2 VAL 63 1.572 -1.020 -9.539 279 3HG2 VAL 63 3HG2 VAL 63 0.238 -2.176 -9.539 280 H GLN 64 H GLN 64 3.532 -6.348 -9.246 281 HA GLN 64 HA GLN 64 3.709 -6.721 -6.287 282 1HB GLN 64 2HB GLN 64 3.991 -9.153 -6.729 283 2HB GLN 64 1HB GLN 64 2.432 -8.555 -7.293 284 1HG GLN 64 2HG GLN 64 4.326 -8.226 -9.422 285 2HG GLN 64 1HG GLN 64 4.476 -9.869 -8.810 286 1HE2 GLN 64 1HE2 GLN 64 1.752 -7.585 -9.499 287 2HE2 GLN 64 2HE2 GLN 64 0.789 -8.749 -10.274 288 H LEU 65 H LEU 65 5.773 -6.785 -5.461 289 HA LEU 65 HA LEU 65 8.004 -6.621 -7.416 290 1HB LEU 65 2HB LEU 65 9.277 -5.737 -5.406 291 2HB LEU 65 1HB LEU 65 7.985 -4.702 -5.996 292 HG LEU 65 HG LEU 65 7.236 -6.698 -3.924 293 1HD1 LEU 65 1HD1 LEU 65 9.541 -5.585 -3.338 294 2HD1 LEU 65 2HD1 LEU 65 8.269 -5.632 -2.117 295 3HD1 LEU 65 3HD1 LEU 65 8.561 -4.152 -3.030 296 1HD2 LEU 65 1HD2 LEU 65 5.930 -4.685 -5.125 297 2HD2 LEU 65 2HD2 LEU 65 6.641 -3.774 -3.793 298 3HD2 LEU 65 3HD2 LEU 65 5.588 -5.149 -3.458 299 H GLU 66 H GLU 66 9.872 -7.912 -7.118 300 HA GLU 66 HA GLU 66 9.758 -10.041 -5.047 301 1HB GLU 66 2HB GLU 66 10.016 -10.539 -8.028 302 2HB GLU 66 1HB GLU 66 10.249 -11.766 -6.786 303 1HG GLU 66 2HG GLU 66 7.705 -10.167 -7.181 304 2HG GLU 66 1HG GLU 66 7.961 -11.803 -7.785 305 H GLN 67 H GLN 67 11.763 -10.103 -4.105 306 HA GLN 67 HA GLN 67 14.040 -8.936 -5.608 307 1HB GLN 67 2HB GLN 67 13.712 -9.729 -2.698 308 2HB GLN 67 1HB GLN 67 15.214 -9.104 -3.379 309 1HG GLN 67 2HG GLN 67 14.308 -7.105 -2.696 310 2HG GLN 67 1HG GLN 67 13.533 -7.208 -4.277 311 1HE2 GLN 67 1HE2 GLN 67 11.251 -7.419 -4.330 312 2HE2 GLN 67 2HE2 GLN 67 10.288 -7.563 -2.940 313 H LYS 68 H LYS 68 15.981 -10.093 -5.954 314 HA LYS 68 HA LYS 68 15.663 -13.059 -5.865 315 1HB LYS 68 2HB LYS 68 17.518 -11.307 -7.509 316 2HB LYS 68 1HB LYS 68 17.472 -13.068 -7.577 317 1HG LYS 68 2HG LYS 68 15.640 -13.070 -8.903 318 2HG LYS 68 1HG LYS 68 14.809 -11.892 -7.886 319 1HD LYS 68 2HD LYS 68 15.157 -10.940 -10.109 320 2HD LYS 68 1HD LYS 68 16.160 -10.079 -8.942 321 1HE LYS 68 2HE LYS 68 17.490 -10.568 -10.925 322 2HE LYS 68 1HE LYS 68 18.084 -11.541 -9.579 323 1HZ LYS 68 1HZ LYS 68 16.981 -13.438 -10.399 324 2HZ LYS 68 2HZ LYS 68 17.761 -12.745 -11.740 325 3HZ LYS 68 3HZ LYS 68 16.088 -12.541 -11.528 326 H ASP 69 H ASP 69 17.737 -14.278 -5.434 327 HA ASP 69 HA ASP 69 18.993 -13.233 -3.027 328 1HB ASP 69 2HB ASP 69 19.247 -15.811 -4.577 329 2HB ASP 69 1HB ASP 69 20.280 -15.451 -3.192 330 H GLY 70 H GLY 70 19.766 -11.385 -4.686 331 1HA GLY 70 2HA GLY 70 22.641 -11.713 -4.926 332 2HA GLY 70 1HA GLY 70 21.850 -11.686 -6.502 333 H ASP 71 H ASP 71 20.659 -9.894 -3.726 334 HA ASP 71 HA ASP 71 20.366 -7.600 -3.378 335 1HB ASP 71 2HB ASP 71 22.976 -7.616 -4.909 336 2HB ASP 71 1HB ASP 71 22.240 -6.124 -4.329 337 H ILE 72 H ILE 72 18.870 -8.754 -5.411 338 HA ILE 72 HA ILE 72 18.747 -6.531 -7.403 339 HB ILE 72 HB ILE 72 17.969 -9.396 -7.985 340 1HG1 ILE 72 2HG1 ILE 72 20.629 -7.985 -8.386 341 2HG1 ILE 72 1HG1 ILE 72 20.331 -9.458 -7.476 342 1HG2 ILE 72 1HG2 ILE 72 16.969 -7.703 -9.434 343 2HG2 ILE 72 2HG2 ILE 72 18.217 -8.558 -10.340 344 3HG2 ILE 72 3HG2 ILE 72 18.542 -6.951 -9.693 345 1HD1 ILE 72 1HD1 ILE 72 20.841 -9.140 -10.324 346 2HD1 ILE 72 2HD1 ILE 72 19.342 -10.024 -10.033 347 3HD1 ILE 72 3HD1 ILE 72 20.857 -10.607 -9.344 348 H SER 73 H SER 73 16.552 -6.153 -8.250 349 HA SER 73 HA SER 73 14.400 -7.148 -6.431 350 1HB SER 73 2HB SER 73 14.981 -4.325 -7.324 351 2HB SER 73 1HB SER 73 13.372 -4.808 -6.796 352 HG SER 73 HG SER 73 15.746 -4.547 -5.363 353 H ILE 74 H ILE 74 12.231 -6.978 -7.427 354 HA ILE 74 HA ILE 74 12.232 -6.881 -10.402 355 HB ILE 74 HB ILE 74 10.971 -9.091 -8.777 356 1HG1 ILE 74 2HG1 ILE 74 13.394 -9.265 -10.581 357 2HG1 ILE 74 1HG1 ILE 74 13.499 -9.147 -8.828 358 1HG2 ILE 74 1HG2 ILE 74 11.067 -8.404 -11.683 359 2HG2 ILE 74 2HG2 ILE 74 9.705 -8.956 -10.709 360 3HG2 ILE 74 3HG2 ILE 74 10.960 -10.096 -11.193 361 1HD1 ILE 74 1HD1 ILE 74 12.986 -11.330 -8.558 362 2HD1 ILE 74 2HD1 ILE 74 13.254 -11.503 -10.292 363 3HD1 ILE 74 3HD1 ILE 74 11.625 -11.226 -9.675 364 H LEU 75 H LEU 75 9.960 -6.735 -11.232 365 HA LEU 75 HA LEU 75 7.877 -6.095 -9.305 366 1HB LEU 75 2HB LEU 75 9.288 -3.971 -9.614 367 2HB LEU 75 1HB LEU 75 8.652 -3.924 -11.256 368 HG LEU 75 HG LEU 75 6.643 -4.326 -9.112 369 1HD1 LEU 75 1HD1 LEU 75 6.710 -1.653 -9.001 370 2HD1 LEU 75 2HD1 LEU 75 8.430 -1.939 -9.273 371 3HD1 LEU 75 3HD1 LEU 75 7.627 -2.649 -7.872 372 1HD2 LEU 75 1HD2 LEU 75 5.624 -4.032 -11.163 373 2HD2 LEU 75 2HD2 LEU 75 6.913 -2.994 -11.772 374 3HD2 LEU 75 3HD2 LEU 75 5.710 -2.344 -10.658 375 H GLU 76 H GLU 76 6.493 -7.535 -10.220 376 HA GLU 76 HA GLU 76 6.064 -7.462 -13.161 377 1HB GLU 76 2HB GLU 76 4.899 -9.410 -11.157 378 2HB GLU 76 1HB GLU 76 4.999 -9.606 -12.904 379 1HG GLU 76 2HG GLU 76 7.010 -10.603 -12.659 380 2HG GLU 76 1HG GLU 76 7.653 -9.109 -11.983 381 H LEU 77 H LEU 77 4.705 -5.678 -13.468 382 HA LEU 77 HA LEU 77 2.311 -5.454 -11.746 383 1HB LEU 77 2HB LEU 77 1.872 -3.360 -13.061 384 2HB LEU 77 1HB LEU 77 3.413 -3.356 -12.208 385 HG LEU 77 HG LEU 77 3.488 -4.445 -14.963 386 1HD1 LEU 77 1HD1 LEU 77 1.934 -2.559 -15.261 387 2HD1 LEU 77 2HD1 LEU 77 3.503 -2.192 -15.979 388 3HD1 LEU 77 3HD1 LEU 77 3.061 -1.493 -14.421 389 1HD2 LEU 77 1HD2 LEU 77 5.221 -2.238 -13.937 390 2HD2 LEU 77 2HD2 LEU 77 5.660 -3.654 -14.893 391 3HD2 LEU 77 3HD2 LEU 77 5.367 -3.815 -13.161 392 H ASN 78 H ASN 78 0.357 -6.191 -12.341 393 HA ASN 78 HA ASN 78 0.055 -7.480 -14.974 394 1HB ASN 78 2HB ASN 78 -1.962 -7.254 -12.733 395 2HB ASN 78 1HB ASN 78 -1.960 -8.404 -14.052 396 1HD2 ASN 78 1HD2 ASN 78 1.050 -8.843 -13.771 397 2HD2 ASN 78 2HD2 ASN 78 1.213 -9.813 -12.391 398 H VAL 79 H VAL 79 -1.331 -6.675 -16.572 399 HA VAL 79 HA VAL 79 -2.753 -4.128 -15.906 400 HB VAL 79 HB VAL 79 -1.475 -4.750 -18.579 401 1HG1 VAL 79 1HG1 VAL 79 -1.746 -2.261 -18.823 402 2HG1 VAL 79 2HG1 VAL 79 -2.632 -2.259 -17.297 403 3HG1 VAL 79 3HG1 VAL 79 -3.276 -3.131 -18.688 404 1HG2 VAL 79 1HG2 VAL 79 0.021 -2.728 -17.502 405 2HG2 VAL 79 2HG2 VAL 79 0.484 -4.428 -17.437 406 3HG2 VAL 79 3HG2 VAL 79 -0.327 -3.683 -16.060 407 H THR 80 H THR 80 -4.750 -5.215 -15.646 408 HA THR 80 HA THR 80 -5.774 -6.911 -17.825 409 HB THR 80 HB THR 80 -7.208 -5.877 -15.358 410 HG1 THR 80 HG1 THR 80 -5.872 -8.340 -15.802 411 1HG2 THR 80 1HG2 THR 80 -7.768 -8.165 -17.267 412 2HG2 THR 80 2HG2 THR 80 -8.723 -6.694 -17.088 413 3HG2 THR 80 3HG2 THR 80 -8.654 -7.866 -15.773 414 H LEU 81 H LEU 81 -6.128 -5.625 -19.633 415 HA LEU 81 HA LEU 81 -7.514 -3.047 -19.371 416 1HB LEU 81 2HB LEU 81 -6.654 -4.569 -21.852 417 2HB LEU 81 1HB LEU 81 -7.138 -2.880 -21.777 418 HG LEU 81 HG LEU 81 -4.921 -3.729 -19.976 419 1HD1 LEU 81 1HD1 LEU 81 -3.312 -3.315 -21.896 420 2HD1 LEU 81 2HD1 LEU 81 -4.692 -3.468 -22.982 421 3HD1 LEU 81 3HD1 LEU 81 -4.202 -4.835 -21.982 422 1HD2 LEU 81 1HD2 LEU 81 -6.081 -1.362 -20.474 423 2HD2 LEU 81 2HD2 LEU 81 -4.875 -1.336 -21.760 424 3HD2 LEU 81 3HD2 LEU 81 -4.366 -1.491 -20.079 425 HA PRO 82 HA PRO 82 -11.465 -5.055 -20.179 426 1HB PRO 82 2HB PRO 82 -12.981 -2.792 -20.293 427 2HB PRO 82 1HB PRO 82 -12.363 -3.467 -18.778 428 1HG PRO 82 2HG PRO 82 -11.534 -1.040 -20.215 429 2HG PRO 82 1HG PRO 82 -11.324 -1.470 -18.512 430 1HD PRO 82 2HD PRO 82 -9.364 -1.609 -20.600 431 2HD PRO 82 1HD PRO 82 -9.184 -2.112 -18.905 432 H GLU 83 H GLU 83 -13.470 -4.284 -21.777 433 HA GLU 83 HA GLU 83 -12.543 -4.698 -24.435 434 1HB GLU 83 2HB GLU 83 -15.110 -4.146 -23.106 435 2HB GLU 83 1HB GLU 83 -15.024 -3.520 -24.751 436 1HG GLU 83 2HG GLU 83 -14.696 -5.640 -25.684 437 2HG GLU 83 1HG GLU 83 -14.099 -6.321 -24.170 438 H ALA 84 H ALA 84 -13.715 -2.849 -26.091 439 HA ALA 84 HA ALA 84 -13.079 -0.130 -25.322 440 1HB ALA 84 1HB ALA 84 -10.799 -1.010 -25.723 441 2HB ALA 84 2HB ALA 84 -11.241 0.206 -26.922 442 3HB ALA 84 3HB ALA 84 -11.289 -1.507 -27.342 443 H GLU 85 H GLU 85 -12.915 1.170 -27.610 444 HA GLU 85 HA GLU 85 -15.486 0.851 -28.828 445 1HB GLU 85 2HB GLU 85 -13.043 2.450 -29.635 446 2HB GLU 85 1HB GLU 85 -14.585 2.543 -30.485 447 1HG GLU 85 2HG GLU 85 -15.709 3.397 -28.560 448 2HG GLU 85 1HG GLU 85 -14.353 2.997 -27.505 449 H GLU 86 H GLU 86 -15.275 0.959 -31.485 450 HA GLU 86 HA GLU 86 -15.029 -0.381 -33.395 451 1HB GLU 86 2HB GLU 86 -12.541 0.256 -32.621 452 2HB GLU 86 1HB GLU 86 -12.451 -1.491 -32.394 453 1HG GLU 86 2HG GLU 86 -13.698 -0.552 -34.925 454 2HG GLU 86 1HG GLU 86 -11.958 -0.306 -34.770 455 H LEU 87 H LEU 87 -16.099 -1.551 -30.769 456 HA LEU 87 HA LEU 87 -16.133 -4.347 -31.716 457 1HB LEU 87 2HB LEU 87 -14.242 -3.882 -29.932 458 2HB LEU 87 1HB LEU 87 -15.592 -3.916 -28.797 459 HG LEU 87 HG LEU 87 -16.210 -6.122 -30.159 460 1HD1 LEU 87 1HD1 LEU 87 -14.286 -5.791 -31.730 461 2HD1 LEU 87 2HD1 LEU 87 -14.220 -7.331 -30.873 462 3HD1 LEU 87 3HD1 LEU 87 -13.186 -5.995 -30.367 463 1HD2 LEU 87 1HD2 LEU 87 -14.855 -7.398 -28.461 464 2HD2 LEU 87 2HD2 LEU 87 -15.814 -6.092 -27.764 465 3HD2 LEU 87 3HD2 LEU 87 -14.081 -5.878 -28.010 466 H LYS 88 HN LYS 88 -18.199 -5.071 -31.572 467 HA LYS 88 HA LYS 88 -19.994 -3.810 -29.537 468 1HB LYS 88 2HB LYS 88 -20.306 -3.188 -32.069 469 2HB LYS 88 1HB LYS 88 -21.031 -4.793 -32.184 470 1HG LYS 88 2HG LYS 88 -22.898 -3.513 -31.654 471 2HG LYS 88 1HG LYS 88 -22.366 -4.002 -30.045 472 1HD LYS 88 2HD LYS 88 -22.650 -1.691 -29.788 473 2HD LYS 88 1HD LYS 88 -20.925 -1.819 -30.138 474 1HE LYS 88 2HE LYS 88 -21.684 -0.103 -31.582 475 2HE LYS 88 1HE LYS 88 -21.593 -1.531 -32.613 476 1HZ LYS 88 1HZ LYS 88 -23.982 -0.251 -31.443 477 2HZ LYS 88 2HZ LYS 88 -24.018 -1.873 -31.947 478 3HZ LYS 88 3HZ LYS 88 -23.674 -0.641 -33.065 479 1H ARG 31 1H ARG 31 5.328 -11.645 -33.310 480 2H ARG 31 2H ARG 31 3.814 -11.711 -34.076 481 3H ARG 31 3H ARG 31 3.971 -12.198 -32.455 482 HA ARG 31 HA ARG 31 4.620 -9.904 -31.866 483 1HB ARG 31 2HB ARG 31 5.089 -9.606 -34.517 484 2HB ARG 31 1HB ARG 31 3.458 -8.938 -34.426 485 1HG ARG 31 2HG ARG 31 4.099 -7.194 -33.038 486 2HG ARG 31 1HG ARG 31 5.468 -8.087 -32.375 487 1HD ARG 31 2HD ARG 31 5.469 -7.376 -35.289 488 2HD ARG 31 1HD ARG 31 5.881 -6.137 -34.104 489 HE ARG 31 HE ARG 31 7.572 -8.333 -34.888 490 1HH1 ARG 31 1HH2 ARG 31 6.617 -6.408 -32.128 491 2HH1 ARG 31 2HH2 ARG 31 8.112 -6.672 -31.301 492 1HH2 ARG 31 1HH1 ARG 31 9.491 -8.648 -33.782 493 2HH2 ARG 31 2HH1 ARG 31 9.723 -7.926 -32.225 494 H SER 32 H SER 32 2.678 -11.476 -31.027 495 HA SER 32 HA SER 32 0.021 -10.964 -31.889 496 1HB SER 32 2HB SER 32 0.724 -11.483 -29.010 497 2HB SER 32 1HB SER 32 -0.683 -12.033 -29.916 498 HG SER 32 HG SER 32 1.957 -12.976 -29.921 499 H ASP 33 H ASP 33 2.222 -8.951 -30.119 500 HA ASP 33 HA ASP 33 0.082 -7.305 -28.987 501 1HB ASP 33 2HB ASP 33 3.050 -6.737 -29.016 502 2HB ASP 33 1HB ASP 33 1.835 -6.003 -27.971 503 H ALA 34 H ALA 34 0.864 -7.598 -32.048 504 HA ALA 34 HA ALA 34 1.349 -4.772 -32.679 505 1HB ALA 34 1HB ALA 34 1.048 -5.885 -35.095 506 2HB ALA 34 2HB ALA 34 1.420 -7.347 -34.180 507 3HB ALA 34 3HB ALA 34 2.564 -6.005 -34.201 508 H GLU 35 H GLU 35 -1.288 -6.956 -32.316 509 HA GLU 35 HA GLU 35 -3.157 -5.990 -34.186 510 1HB GLU 35 2HB GLU 35 -3.799 -6.873 -31.361 511 2HB GLU 35 1HB GLU 35 -4.870 -6.913 -32.755 512 1HG GLU 35 2HG GLU 35 -2.352 -8.322 -33.260 513 2HG GLU 35 1HG GLU 35 -3.234 -8.996 -31.893 514 HA PRO 36 HA PRO 36 -4.412 -2.540 -31.117 515 1HB PRO 36 2HB PRO 36 -2.883 -2.111 -28.894 516 2HB PRO 36 1HB PRO 36 -4.225 -3.263 -28.945 517 1HG PRO 36 2HG PRO 36 -1.340 -3.768 -28.820 518 2HG PRO 36 1HG PRO 36 -2.690 -4.839 -28.420 519 1HD PRO 36 2HD PRO 36 -1.096 -4.822 -30.813 520 2HD PRO 36 1HD PRO 36 -2.440 -5.898 -30.409 521 H HIS 37 H HIS 37 -0.845 -2.822 -30.975 522 HA HIS 37 HA HIS 37 0.819 -1.456 -31.885 523 1HB HIS 37 2HB HIS 37 -1.258 -0.884 -33.564 524 2HB HIS 37 1HB HIS 37 -0.966 0.700 -32.847 525 HD1 HIS 37 HD1 HIS 37 0.007 -1.063 -35.697 526 HD2 HIS 37 HD2 HIS 37 2.190 0.997 -32.804 527 HE1 HIS 37 HE1 HIS 37 2.248 -0.517 -36.745 528 H TYR 38 H TYR 38 -1.358 -0.586 -29.484 529 HA TYR 38 HA TYR 38 0.272 1.815 -28.787 530 1HB TYR 38 2HB TYR 38 -1.716 2.461 -27.352 531 2HB TYR 38 1HB TYR 38 -2.016 2.510 -29.087 532 HD1 TYR 38 HD1 TYR 38 -2.684 0.691 -25.950 533 HD2 TYR 38 HD2 TYR 38 -3.456 0.872 -30.171 534 HE1 TYR 38 HE1 TYR 38 -4.562 -0.907 -25.676 535 HE2 TYR 38 HE2 TYR 38 -5.330 -0.728 -29.898 536 HH TYR 38 HH TYR 38 -6.926 -1.349 -27.827 537 H LEU 39 H LEU 39 -1.211 -1.177 -27.639 538 HA LEU 39 HA LEU 39 -0.590 -1.097 -24.911 539 1HB LEU 39 2HB LEU 39 -1.441 -3.038 -26.774 540 2HB LEU 39 1HB LEU 39 -0.023 -3.730 -25.994 541 HG LEU 39 HG LEU 39 -2.022 -4.324 -24.716 542 1HD1 LEU 39 1HD1 LEU 39 -1.242 -3.755 -22.585 543 2HD1 LEU 39 2HD1 LEU 39 -0.788 -2.125 -23.077 544 3HD1 LEU 39 3HD1 LEU 39 0.198 -3.501 -23.570 545 1HD2 LEU 39 1HD2 LEU 39 -2.583 -1.422 -25.083 546 2HD2 LEU 39 2HD2 LEU 39 -3.077 -2.137 -23.549 547 3HD2 LEU 39 3HD2 LEU 39 -3.695 -2.790 -25.065 548 HA PRO 40 HA PRO 40 3.833 -2.786 -25.867 549 1HB PRO 40 2HB PRO 40 4.753 -2.572 -28.436 550 2HB PRO 40 1HB PRO 40 3.939 -4.007 -27.795 551 1HG PRO 40 2HG PRO 40 2.906 -1.908 -29.617 552 2HG PRO 40 1HG PRO 40 2.485 -3.620 -29.508 553 1HD PRO 40 2HD PRO 40 0.955 -1.519 -28.509 554 2HD PRO 40 1HD PRO 40 0.789 -3.220 -28.029 555 H GLN 41 H GLN 41 2.527 0.103 -27.260 556 HA GLN 41 HA GLN 41 5.038 1.584 -27.363 557 1HB GLN 41 2HB GLN 41 3.278 2.333 -28.824 558 2HB GLN 41 1HB GLN 41 2.109 2.363 -27.511 559 1HG GLN 41 2HG GLN 41 2.872 4.648 -28.138 560 2HG GLN 41 1HG GLN 41 3.273 4.251 -26.469 561 1HE2 GLN 41 1HE2 GLN 41 4.989 3.165 -29.426 562 2HE2 GLN 41 2HE2 GLN 41 6.462 3.908 -29.028 563 H LEU 42 H LEU 42 2.438 1.009 -25.063 564 HA LEU 42 HA LEU 42 3.288 3.017 -23.177 565 1HB LEU 42 2HB LEU 42 1.478 0.611 -22.885 566 2HB LEU 42 1HB LEU 42 1.727 1.803 -21.634 567 HG LEU 42 HG LEU 42 0.188 3.186 -22.528 568 1HD1 LEU 42 1HD1 LEU 42 1.893 3.942 -24.239 569 2HD1 LEU 42 2HD1 LEU 42 0.218 4.076 -24.762 570 3HD1 LEU 42 3HD1 LEU 42 1.215 2.749 -25.345 571 1HD2 LEU 42 1HD2 LEU 42 -0.179 0.698 -24.146 572 2HD2 LEU 42 2HD2 LEU 42 -1.150 2.117 -24.539 573 3HD2 LEU 42 3HD2 LEU 42 -1.236 1.407 -22.927 574 H ARG 43 H ARG 43 3.711 -0.517 -23.449 575 HA ARG 43 HA ARG 43 5.096 -0.844 -20.973 576 1HB ARG 43 2HB ARG 43 5.847 -2.978 -21.866 577 2HB ARG 43 1HB ARG 43 4.182 -2.725 -22.345 578 1HG ARG 43 2HG ARG 43 4.961 -1.907 -24.548 579 2HG ARG 43 1HG ARG 43 6.621 -2.257 -24.074 580 1HD ARG 43 2HD ARG 43 5.913 -4.645 -23.665 581 2HD ARG 43 1HD ARG 43 4.353 -4.242 -24.385 582 HE ARG 43 HE ARG 43 6.430 -3.450 -26.178 583 1HH1 ARG 43 1HH2 ARG 43 4.917 -6.326 -24.885 584 2HH1 ARG 43 2HH2 ARG 43 5.282 -7.269 -26.288 585 1HH2 ARG 43 2HH1 ARG 43 6.881 -4.707 -27.972 586 2HH2 ARG 43 1HH1 ARG 43 6.381 -6.365 -28.017 587 H LYS 44 H LYS 44 6.269 -0.086 -24.263 588 HA LYS 44 HA LYS 44 9.023 -0.111 -23.511 589 1HB LYS 44 2HB LYS 44 9.442 1.008 -25.623 590 2HB LYS 44 1HB LYS 44 8.221 -0.227 -25.881 591 1HG LYS 44 2HG LYS 44 6.474 1.382 -25.995 592 2HG LYS 44 1HG LYS 44 7.485 2.655 -25.326 593 1HD LYS 44 2HD LYS 44 8.650 1.479 -27.739 594 2HD LYS 44 1HD LYS 44 7.057 2.172 -28.034 595 1HE LYS 44 2HE LYS 44 7.737 4.314 -27.190 596 2HE LYS 44 1HE LYS 44 9.249 3.654 -26.566 597 1HZ LYS 44 1HZ LYS 44 8.457 4.106 -29.375 598 2HZ LYS 44 2HZ LYS 44 9.698 3.016 -28.976 599 3HZ LYS 44 3HZ LYS 44 9.840 4.658 -28.562 600 H ASP 45 H ASP 45 6.448 2.271 -23.325 601 HA ASP 45 HA ASP 45 8.062 4.564 -22.807 602 1HB ASP 45 2HB ASP 45 5.227 3.856 -22.038 603 2HB ASP 45 1HB ASP 45 5.951 5.413 -21.667 604 H ILE 46 H ILE 46 6.566 2.139 -20.634 605 HA ILE 46 HA ILE 46 7.513 3.342 -18.208 606 HB ILE 46 HB ILE 46 5.727 1.550 -18.363 607 1HG1 ILE 46 2HG1 ILE 46 8.012 0.968 -16.458 608 2HG1 ILE 46 1HG1 ILE 46 6.849 2.277 -16.250 609 1HG2 ILE 46 1HG2 ILE 46 7.018 -0.811 -17.992 610 2HG2 ILE 46 2HG2 ILE 46 8.056 -0.075 -19.205 611 3HG2 ILE 46 3HG2 ILE 46 6.343 -0.292 -19.531 612 1HD1 ILE 46 1HD1 ILE 46 5.015 0.537 -16.332 613 2HD1 ILE 46 2HD1 ILE 46 6.073 0.420 -14.926 614 3HD1 ILE 46 3HD1 ILE 46 6.274 -0.696 -16.277 615 H LEU 47 H LEU 47 9.051 1.294 -20.604 616 HA LEU 47 HA LEU 47 11.333 0.548 -19.021 617 1HB LEU 47 2HB LEU 47 10.767 0.687 -21.980 618 2HB LEU 47 1HB LEU 47 12.385 0.324 -21.392 619 HG LEU 47 HG LEU 47 9.938 -1.196 -20.477 620 1HD1 LEU 47 1HD1 LEU 47 10.688 -1.227 -23.051 621 2HD1 LEU 47 2HD1 LEU 47 10.139 -2.683 -22.222 622 3HD1 LEU 47 3HD1 LEU 47 11.864 -2.379 -22.419 623 1HD2 LEU 47 1HD2 LEU 47 11.402 -2.516 -19.320 624 2HD2 LEU 47 2HD2 LEU 47 12.421 -1.080 -19.379 625 3HD2 LEU 47 3HD2 LEU 47 12.660 -2.379 -20.547 626 H GLU 48 H GLU 48 10.731 3.133 -21.397 627 HA GLU 48 HA GLU 48 13.283 4.413 -21.064 628 1HB GLU 48 2HB GLU 48 10.689 5.737 -21.890 629 2HB GLU 48 1HB GLU 48 12.325 6.288 -22.248 630 1HG GLU 48 2HG GLU 48 11.159 3.670 -23.204 631 2HG GLU 48 1HG GLU 48 11.236 5.139 -24.163 632 H VAL 49 H VAL 49 10.100 4.774 -19.578 633 HA VAL 49 HA VAL 49 10.664 7.098 -18.066 634 HB VAL 49 HB VAL 49 8.819 4.782 -17.385 635 1HG1 VAL 49 1HG1 VAL 49 8.679 7.623 -16.343 636 2HG1 VAL 49 2HG1 VAL 49 9.480 6.327 -15.460 637 3HG1 VAL 49 3HG1 VAL 49 7.754 6.225 -15.798 638 1HG2 VAL 49 1HG2 VAL 49 7.754 7.392 -18.299 639 2HG2 VAL 49 2HG2 VAL 49 7.252 5.758 -18.731 640 3HG2 VAL 49 3HG2 VAL 49 8.651 6.486 -19.518 641 H ILE 50 H ILE 50 10.826 3.651 -17.030 642 HA ILE 50 HA ILE 50 12.081 4.100 -14.522 643 HB ILE 50 HB ILE 50 12.537 1.754 -16.396 644 1HG1 ILE 50 2HG1 ILE 50 10.626 1.712 -14.092 645 2HG1 ILE 50 1HG1 ILE 50 10.110 2.484 -15.590 646 1HG2 ILE 50 1HG2 ILE 50 12.756 1.925 -13.378 647 2HG2 ILE 50 2HG2 ILE 50 14.137 1.983 -14.475 648 3HG2 ILE 50 3HG2 ILE 50 13.140 0.531 -14.389 649 1HD1 ILE 50 1HD1 ILE 50 10.579 0.445 -16.847 650 2HD1 ILE 50 2HD1 ILE 50 9.511 0.061 -15.498 651 3HD1 ILE 50 3HD1 ILE 50 11.228 -0.328 -15.401 652 H CYS 51 H CYS 51 13.344 4.324 -17.761 653 HA CYS 51 HA CYS 51 16.134 4.175 -17.037 654 1HB CYS 51 2HB CYS 51 15.046 3.839 -19.375 655 2HB CYS 51 1HB CYS 51 15.063 5.601 -19.468 656 HG CYS 51 HG CYS 51 17.561 5.595 -19.671 657 H LYS 52 H LYS 52 13.870 6.842 -17.724 658 HA LYS 52 HA LYS 52 15.671 9.005 -17.388 659 1HB LYS 52 2HB LYS 52 12.764 8.977 -16.533 660 2HB LYS 52 1HB LYS 52 13.728 10.395 -16.929 661 1HG LYS 52 2HG LYS 52 13.622 10.006 -19.196 662 2HG LYS 52 1HG LYS 52 13.507 8.258 -19.003 663 1HD LYS 52 2HD LYS 52 11.305 8.621 -19.515 664 2HD LYS 52 1HD LYS 52 11.193 9.014 -17.799 665 1HE LYS 52 2HE LYS 52 10.235 10.912 -18.730 666 2HE LYS 52 1HE LYS 52 11.921 11.419 -18.625 667 1HZ LYS 52 1HZ LYS 52 10.809 11.801 -20.820 668 2HZ LYS 52 2HZ LYS 52 10.776 10.116 -21.028 669 3HZ LYS 52 3HZ LYS 52 12.261 10.929 -20.891 670 H TYR 53 H TYR 53 14.057 6.992 -15.016 671 HA TYR 53 HA TYR 53 15.056 8.696 -12.802 672 1HB TYR 53 2HB TYR 53 13.143 6.342 -12.845 673 2HB TYR 53 1HB TYR 53 13.589 7.247 -11.411 674 HD1 TYR 53 HD1 TYR 53 12.353 7.967 -14.892 675 HD2 TYR 53 HD2 TYR 53 12.101 8.903 -10.715 676 HE1 TYR 53 HE1 TYR 53 10.545 9.571 -15.378 677 HE2 TYR 53 HE2 TYR 53 10.283 10.520 -11.202 678 HH TYR 53 HH TYR 53 8.450 10.630 -13.362 679 H VAL 54 H VAL 54 15.707 5.696 -14.451 680 HA VAL 54 HA VAL 54 17.937 5.153 -12.594 681 HB VAL 54 HB VAL 54 16.109 2.827 -13.194 682 1HG1 VAL 54 1HG1 VAL 54 17.661 3.288 -10.670 683 2HG1 VAL 54 2HG1 VAL 54 18.532 2.844 -12.137 684 3HG1 VAL 54 3HG1 VAL 54 17.288 1.773 -11.492 685 1HG2 VAL 54 1HG2 VAL 54 14.948 3.169 -11.050 686 2HG2 VAL 54 2HG2 VAL 54 14.663 4.544 -12.118 687 3HG2 VAL 54 3HG2 VAL 54 15.826 4.679 -10.799 688 H GLN 55 H GLN 55 17.873 2.283 -14.017 689 HA GLN 55 HA GLN 55 18.211 2.859 -16.815 690 1HB GLN 55 2HB GLN 55 20.451 3.404 -15.070 691 2HB GLN 55 1HB GLN 55 20.859 2.097 -16.180 692 1HG GLN 55 2HG GLN 55 20.288 3.450 -18.095 693 2HG GLN 55 1HG GLN 55 19.628 4.720 -17.064 694 1HE2 GLN 55 1HE2 GLN 55 21.121 6.411 -17.513 695 2HE2 GLN 55 2HE2 GLN 55 22.786 6.290 -17.212 696 H ILE 56 H ILE 56 17.369 0.974 -17.484 697 HA ILE 56 HA ILE 56 18.672 -1.555 -16.607 698 HB ILE 56 HB ILE 56 16.286 -2.573 -16.668 699 1HG1 ILE 56 2HG1 ILE 56 15.274 0.013 -15.640 700 2HG1 ILE 56 1HG1 ILE 56 15.563 -0.024 -17.379 701 1HG2 ILE 56 1HG2 ILE 56 17.921 -1.832 -14.661 702 2HG2 ILE 56 2HG2 ILE 56 16.334 -2.550 -14.383 703 3HG2 ILE 56 3HG2 ILE 56 16.537 -0.800 -14.299 704 1HD1 ILE 56 1HD1 ILE 56 14.324 -2.408 -17.088 705 2HD1 ILE 56 2HD1 ILE 56 13.445 -0.912 -17.402 706 3HD1 ILE 56 3HD1 ILE 56 13.575 -1.530 -15.755 707 H ASP 57 H ASP 57 18.002 -3.376 -18.121 708 HA ASP 57 HA ASP 57 17.820 -2.295 -20.892 709 1HB ASP 57 2HB ASP 57 19.035 -4.749 -19.666 710 2HB ASP 57 1HB ASP 57 18.517 -4.811 -21.350 711 HA PRO 58 HA PRO 58 13.851 -4.174 -21.461 712 1HB PRO 58 2HB PRO 58 13.984 -5.099 -24.033 713 2HB PRO 58 1HB PRO 58 13.835 -3.383 -23.621 714 1HG PRO 58 2HG PRO 58 16.215 -4.902 -24.547 715 2HG PRO 58 1HG PRO 58 15.771 -3.212 -24.832 716 1HD PRO 58 2HD PRO 58 17.672 -4.069 -22.984 717 2HD PRO 58 1HD PRO 58 16.858 -2.490 -22.950 718 H GLU 59 H GLU 59 16.673 -6.132 -22.189 719 HA GLU 59 HA GLU 59 15.332 -8.684 -22.267 720 1HB GLU 59 2HB GLU 59 18.179 -7.822 -21.745 721 2HB GLU 59 1HB GLU 59 17.697 -9.513 -21.606 722 1HG GLU 59 2HG GLU 59 17.285 -9.728 -23.872 723 2HG GLU 59 1HG GLU 59 16.883 -8.022 -24.067 724 H MET 60 H MET 60 15.999 -6.463 -19.713 725 HA MET 60 HA MET 60 15.983 -8.527 -17.605 726 1HB MET 60 2HB MET 60 16.297 -5.529 -17.677 727 2HB MET 60 1HB MET 60 15.962 -6.353 -16.159 728 1HG MET 60 2HG MET 60 18.101 -7.603 -17.768 729 2HG MET 60 1HG MET 60 18.474 -5.977 -17.204 730 1HE MET 60 1HE MET 60 18.225 -6.045 -13.473 731 2HE MET 60 2HE MET 60 17.633 -5.224 -14.915 732 3HE MET 60 3HE MET 60 19.361 -5.505 -14.718 733 H VAL 61 H VAL 61 13.773 -6.404 -19.261 734 HA VAL 61 HA VAL 61 11.704 -6.820 -17.172 735 HB VAL 61 HB VAL 61 11.639 -5.051 -19.636 736 1HG1 VAL 61 1HG1 VAL 61 9.621 -4.200 -18.841 737 2HG1 VAL 61 2HG1 VAL 61 9.943 -4.711 -17.183 738 3HG1 VAL 61 3HG1 VAL 61 9.473 -5.901 -18.397 739 1HG2 VAL 61 1HG2 VAL 61 13.209 -3.925 -18.396 740 2HG2 VAL 61 2HG2 VAL 61 12.716 -4.687 -16.885 741 3HG2 VAL 61 3HG2 VAL 61 11.778 -3.346 -17.543 742 H THR 62 H THR 62 9.949 -8.137 -17.567 743 HA THR 62 HA THR 62 9.892 -9.547 -20.169 744 HB THR 62 HB THR 62 8.373 -10.359 -17.696 745 HG1 THR 62 HG1 THR 62 10.143 -11.452 -17.023 746 1HG2 THR 62 1HG2 THR 62 8.887 -12.641 -18.811 747 2HG2 THR 62 2HG2 THR 62 9.296 -11.687 -20.237 748 3HG2 THR 62 3HG2 THR 62 7.669 -11.609 -19.561 749 H VAL 63 H VAL 63 7.676 -10.111 -20.995 750 HA VAL 63 HA VAL 63 5.505 -8.286 -20.159 751 HB VAL 63 HB VAL 63 6.533 -8.402 -23.007 752 1HG1 VAL 63 1HG1 VAL 63 4.144 -7.231 -21.665 753 2HG1 VAL 63 2HG1 VAL 63 4.322 -7.837 -23.311 754 3HG1 VAL 63 3HG1 VAL 63 4.928 -6.235 -22.891 755 1HG2 VAL 63 1HG2 VAL 63 6.835 -6.349 -20.810 756 2HG2 VAL 63 2HG2 VAL 63 7.056 -5.951 -22.514 757 3HG2 VAL 63 3HG2 VAL 63 8.110 -7.136 -21.740 758 H GLN 64 H GLN 64 3.993 -9.869 -19.759 759 HA GLN 64 HA GLN 64 3.537 -11.862 -21.937 760 1HB GLN 64 2HB GLN 64 2.777 -13.441 -20.172 761 2HB GLN 64 1HB GLN 64 4.462 -12.973 -19.958 762 1HG GLN 64 2HG GLN 64 2.833 -11.064 -18.570 763 2HG GLN 64 1HG GLN 64 2.295 -12.674 -18.108 764 1HE2 GLN 64 1HE2 GLN 64 5.483 -11.063 -18.701 765 2HE2 GLN 64 2HE2 GLN 64 6.228 -11.721 -17.325 766 H LEU 65 H LEU 65 1.454 -11.960 -22.712 767 HA LEU 65 HA LEU 65 -0.551 -10.210 -21.390 768 1HB LEU 65 2HB LEU 65 -1.742 -10.432 -23.620 769 2HB LEU 65 1HB LEU 65 -0.223 -9.549 -23.661 770 HG LEU 65 HG LEU 65 -0.059 -12.486 -24.106 771 1HD1 LEU 65 1HD1 LEU 65 -2.110 -11.473 -25.395 772 2HD1 LEU 65 2HD1 LEU 65 -0.965 -12.496 -26.262 773 3HD1 LEU 65 3HD1 LEU 65 -0.871 -10.741 -26.416 774 1HD2 LEU 65 1HD2 LEU 65 1.725 -10.484 -24.228 775 2HD2 LEU 65 2HD2 LEU 65 1.133 -10.406 -25.887 776 3HD2 LEU 65 3HD2 LEU 65 1.844 -11.898 -25.275 777 H GLU 66 H GLU 66 -2.667 -10.996 -21.005 778 HA GLU 66 HA GLU 66 -3.157 -13.895 -21.417 779 1HB GLU 66 2HB GLU 66 -3.301 -12.484 -18.737 780 2HB GLU 66 1HB GLU 66 -3.875 -14.122 -19.036 781 1HG GLU 66 2HG GLU 66 -1.029 -13.180 -19.476 782 2HG GLU 66 1HG GLU 66 -1.585 -14.049 -18.046 783 H GLN 67 H GLN 67 -5.182 -14.078 -22.279 784 HA GLN 67 HA GLN 67 -7.051 -11.802 -21.916 785 1HB GLN 67 2HB GLN 67 -7.100 -14.201 -23.772 786 2HB GLN 67 1HB GLN 67 -8.385 -12.995 -23.697 787 1HG GLN 67 2HG GLN 67 -7.124 -12.027 -25.357 788 2HG GLN 67 1HG GLN 67 -6.281 -11.342 -23.966 789 1HE2 GLN 67 1HE2 GLN 67 -4.098 -11.958 -23.640 790 2HE2 GLN 67 2HE2 GLN 67 -3.285 -13.092 -24.606 791 H LYS 68 H LYS 68 -9.165 -12.091 -21.095 792 HA LYS 68 HA LYS 68 -9.491 -14.526 -19.401 793 1HB LYS 68 2HB LYS 68 -10.813 -11.800 -19.237 794 2HB LYS 68 1HB LYS 68 -11.137 -13.144 -18.144 795 1HG LYS 68 2HG LYS 68 -9.260 -12.754 -16.945 796 2HG LYS 68 1HG LYS 68 -8.271 -12.608 -18.396 797 1HD LYS 68 2HD LYS 68 -8.254 -10.485 -17.188 798 2HD LYS 68 1HD LYS 68 -9.129 -10.286 -18.706 799 1HE LYS 68 2HE LYS 68 -10.393 -9.220 -16.915 800 2HE LYS 68 1HE LYS 68 -11.271 -10.646 -17.470 801 1HZ LYS 68 1HZ LYS 68 -10.543 -11.879 -15.616 802 2HZ LYS 68 2HZ LYS 68 -11.063 -10.384 -14.999 803 3HZ LYS 68 3HZ LYS 68 -9.404 -10.704 -15.171 804 H ASP 69 H ASP 69 -11.801 -15.293 -19.180 805 HA ASP 69 HA ASP 69 -12.969 -15.624 -21.823 806 1HB ASP 69 2HB ASP 69 -13.657 -16.674 -19.077 807 2HB ASP 69 1HB ASP 69 -14.683 -16.988 -20.477 808 H GLY 70 H GLY 70 -13.216 -13.043 -21.625 809 1HA GLY 70 2HA GLY 70 -16.071 -12.550 -21.443 810 2HA GLY 70 1HA GLY 70 -15.185 -11.769 -20.133 811 H ASP 71 H ASP 71 -13.835 -12.254 -23.339 812 HA ASP 71 HA ASP 71 -13.087 -10.728 -24.946 813 1HB ASP 71 2HB ASP 71 -15.529 -9.290 -23.887 814 2HB ASP 71 1HB ASP 71 -14.534 -8.621 -25.179 815 H ILE 72 H ILE 72 -11.734 -10.753 -22.524 816 HA ILE 72 HA ILE 72 -11.003 -7.873 -22.215 817 HB ILE 72 HB ILE 72 -10.814 -9.931 -20.008 818 1HG1 ILE 72 2HG1 ILE 72 -13.079 -8.031 -20.701 819 2HG1 ILE 72 1HG1 ILE 72 -13.163 -9.779 -20.548 820 1HG2 ILE 72 1HG2 ILE 72 -9.379 -7.970 -19.764 821 2HG2 ILE 72 2HG2 ILE 72 -10.714 -7.842 -18.618 822 3HG2 ILE 72 3HG2 ILE 72 -10.736 -6.898 -20.106 823 1HD1 ILE 72 1HD1 ILE 72 -13.397 -7.749 -18.475 824 2HD1 ILE 72 2HD1 ILE 72 -12.143 -8.927 -18.084 825 3HD1 ILE 72 3HD1 ILE 72 -13.792 -9.467 -18.406 826 H SER 73 H SER 73 -8.725 -7.545 -21.599 827 HA SER 73 HA SER 73 -6.957 -9.851 -22.326 828 1HB SER 73 2HB SER 73 -6.869 -6.994 -23.307 829 2HB SER 73 1HB SER 73 -5.440 -8.022 -23.336 830 HG SER 73 HG SER 73 -7.797 -8.157 -24.812 831 H ILE 74 H ILE 74 -4.746 -9.588 -21.471 832 HA ILE 74 HA ILE 74 -4.521 -7.761 -19.129 833 HB ILE 74 HB ILE 74 -3.873 -10.711 -19.052 834 1HG1 ILE 74 2HG1 ILE 74 -6.147 -9.273 -17.668 835 2HG1 ILE 74 1HG1 ILE 74 -6.346 -10.189 -19.157 836 1HG2 ILE 74 1HG2 ILE 74 -3.620 -8.446 -17.118 837 2HG2 ILE 74 2HG2 ILE 74 -2.476 -9.738 -17.484 838 3HG2 ILE 74 3HG2 ILE 74 -3.908 -10.078 -16.513 839 1HD1 ILE 74 1HD1 ILE 74 -6.328 -12.160 -18.057 840 2HD1 ILE 74 2HD1 ILE 74 -6.506 -11.221 -16.576 841 3HD1 ILE 74 3HD1 ILE 74 -4.902 -11.712 -17.121 842 H LEU 75 H LEU 75 -2.218 -7.641 -18.386 843 HA LEU 75 HA LEU 75 -0.184 -8.715 -20.167 844 1HB LEU 75 2HB LEU 75 -1.088 -6.576 -21.266 845 2HB LEU 75 1HB LEU 75 -0.344 -5.709 -19.924 846 HG LEU 75 HG LEU 75 1.381 -7.710 -21.274 847 1HD1 LEU 75 1HD1 LEU 75 1.876 -5.673 -22.940 848 2HD1 LEU 75 2HD1 LEU 75 0.158 -5.373 -22.675 849 3HD1 LEU 75 3HD1 LEU 75 0.691 -6.921 -23.329 850 1HD2 LEU 75 1HD2 LEU 75 2.579 -6.491 -19.722 851 2HD2 LEU 75 2HD2 LEU 75 1.584 -5.049 -19.932 852 3HD2 LEU 75 3HD2 LEU 75 2.818 -5.452 -21.126 853 H GLU 76 H GLU 76 0.922 -9.595 -18.485 854 HA GLU 76 HA GLU 76 1.557 -7.901 -16.128 855 1HB GLU 76 2HB GLU 76 2.141 -10.847 -16.516 856 2HB GLU 76 1HB GLU 76 2.123 -9.952 -15.000 857 1HG GLU 76 2HG GLU 76 -0.065 -10.449 -14.753 858 2HG GLU 76 1HG GLU 76 -0.422 -9.544 -16.223 859 H LEU 77 H LEU 77 3.283 -6.615 -16.832 860 HA LEU 77 HA LEU 77 5.546 -7.960 -18.182 861 1HB LEU 77 2HB LEU 77 6.510 -5.645 -18.322 862 2HB LEU 77 1HB LEU 77 4.949 -5.816 -19.121 863 HG LEU 77 HG LEU 77 4.835 -5.032 -16.265 864 1HD1 LEU 77 1HD1 LEU 77 6.771 -3.713 -17.023 865 2HD1 LEU 77 2HD1 LEU 77 5.370 -2.672 -16.770 866 3HD1 LEU 77 3HD1 LEU 77 5.841 -3.135 -18.406 867 1HD2 LEU 77 1HD2 LEU 77 3.544 -3.545 -18.511 868 2HD2 LEU 77 2HD2 LEU 77 2.882 -3.996 -16.940 869 3HD2 LEU 77 3HD2 LEU 77 3.013 -5.201 -18.221 870 H ASN 78 H ASN 78 7.335 -8.599 -17.130 871 HA ASN 78 HA ASN 78 7.538 -8.123 -14.230 872 1HB ASN 78 2HB ASN 78 9.396 -9.690 -16.028 873 2HB ASN 78 1HB ASN 78 9.242 -9.813 -14.287 874 1HD2 ASN 78 1HD2 ASN 78 6.194 -9.683 -14.470 875 2HD2 ASN 78 2HD2 ASN 78 5.734 -11.217 -15.023 876 H VAL 79 H VAL 79 9.170 -6.850 -13.317 877 HA VAL 79 HA VAL 79 11.051 -5.553 -15.249 878 HB VAL 79 HB VAL 79 9.859 -4.196 -12.820 879 1HG1 VAL 79 1HG1 VAL 79 10.668 -2.168 -14.065 880 2HG1 VAL 79 2HG1 VAL 79 11.425 -3.250 -15.234 881 3HG1 VAL 79 3HG1 VAL 79 11.964 -3.249 -13.555 882 1HG2 VAL 79 1HG2 VAL 79 8.755 -2.934 -14.981 883 2HG2 VAL 79 2HG2 VAL 79 7.938 -4.201 -14.068 884 3HG2 VAL 79 3HG2 VAL 79 8.792 -4.600 -15.558 885 H THR 80 H THR 80 12.749 -6.977 -14.678 886 HA THR 80 HA THR 80 13.538 -7.238 -11.854 887 HB THR 80 HB THR 80 14.984 -8.184 -14.348 888 HG1 THR 80 HG1 THR 80 13.190 -9.562 -12.638 889 1HG2 THR 80 1HG2 THR 80 15.176 -8.967 -11.425 890 2HG2 THR 80 2HG2 THR 80 16.407 -8.125 -12.367 891 3HG2 THR 80 3HG2 THR 80 16.001 -9.799 -12.743 892 H LEU 81 H LEU 81 14.281 -5.246 -11.125 893 HA LEU 81 HA LEU 81 16.161 -3.679 -12.753 894 1HB LEU 81 2HB LEU 81 15.171 -3.229 -9.920 895 2HB LEU 81 1HB LEU 81 15.996 -2.057 -10.938 896 HG LEU 81 HG LEU 81 13.530 -3.308 -12.049 897 1HD1 LEU 81 1HD1 LEU 81 12.183 -1.516 -10.858 898 2HD1 LEU 81 2HD1 LEU 81 13.571 -1.290 -9.794 899 3HD1 LEU 81 3HD1 LEU 81 12.733 -2.841 -9.833 900 1HD2 LEU 81 1HD2 LEU 81 15.198 -1.413 -12.956 901 2HD2 LEU 81 2HD2 LEU 81 14.118 -0.382 -12.019 902 3HD2 LEU 81 3HD2 LEU 81 13.473 -1.383 -13.319 903 HA PRO 82 HA PRO 82 19.642 -5.610 -10.642 904 1HB PRO 82 2HB PRO 82 21.607 -4.097 -11.772 905 2HB PRO 82 1HB PRO 82 20.758 -5.384 -12.641 906 1HG PRO 82 2HG PRO 82 20.564 -2.469 -12.967 907 2HG PRO 82 1HG PRO 82 20.151 -3.760 -14.102 908 1HD PRO 82 2HD PRO 82 18.354 -2.227 -12.477 909 2HD PRO 82 1HD PRO 82 17.955 -3.577 -13.560 910 H GLU 83 H GLU 83 21.870 -4.495 -9.666 911 HA GLU 83 HA GLU 83 21.062 -3.059 -7.344 912 1HB GLU 83 2HB GLU 83 23.589 -3.952 -8.559 913 2HB GLU 83 1HB GLU 83 23.752 -2.479 -7.606 914 1HG GLU 83 2HG GLU 83 23.048 -3.516 -5.632 915 2HG GLU 83 1HG GLU 83 22.216 -4.810 -6.495 916 H ALA 84 H ALA 84 22.712 -0.890 -7.013 917 HA ALA 84 HA ALA 84 22.616 0.916 -9.276 918 1HB ALA 84 1HB ALA 84 20.235 0.947 -8.597 919 2HB ALA 84 2HB ALA 84 21.007 2.508 -8.313 920 3HB ALA 84 3HB ALA 84 20.719 1.408 -6.965 921 H GLU 85 H GLU 85 22.890 3.311 -8.207 922 HA GLU 85 HA GLU 85 25.413 3.234 -6.855 923 1HB GLU 85 2HB GLU 85 23.427 5.474 -7.317 924 2HB GLU 85 1HB GLU 85 25.008 5.719 -6.577 925 1HG GLU 85 2HG GLU 85 26.152 5.016 -8.551 926 2HG GLU 85 1HG GLU 85 24.672 4.371 -9.263 927 H GLU 86 H GLU 86 25.414 4.923 -4.791 928 HA GLU 86 HA GLU 86 25.021 5.053 -2.482 929 1HB GLU 86 2HB GLU 86 22.678 5.621 -3.657 930 2HB GLU 86 1HB GLU 86 22.203 4.143 -2.819 931 1HG GLU 86 2HG GLU 86 23.793 6.099 -1.242 932 2HG GLU 86 1HG GLU 86 22.139 6.569 -1.636 933 H LEU 87 H LEU 87 25.635 2.367 -3.836 934 HA LEU 87 HA LEU 87 25.139 0.735 -1.427 935 1HB LEU 87 2HB LEU 87 23.271 0.450 -3.274 936 2HB LEU 87 1HB LEU 87 24.501 -0.531 -4.071 937 HG LEU 87 HG LEU 87 24.729 -1.583 -1.634 938 1HD1 LEU 87 1HD1 LEU 87 23.033 0.006 -0.699 939 2HD1 LEU 87 2HD1 LEU 87 22.583 -1.686 -0.489 940 3HD1 LEU 87 3HD1 LEU 87 21.823 -0.722 -1.755 941 1HD2 LEU 87 1HD2 LEU 87 23.021 -3.291 -2.350 942 2HD2 LEU 87 2HD2 LEU 87 24.185 -2.884 -3.611 943 3HD2 LEU 87 3HD2 LEU 87 22.558 -2.205 -3.660 944 H LYS 88 HN LYS 88 26.988 -0.354 -0.971 945 HA LYS 88 HA LYS 88 28.865 -0.945 -3.225 946 1HB LYS 88 2HB LYS 88 29.477 0.962 -1.528 947 2HB LYS 88 1HB LYS 88 29.851 -0.376 -0.441 948 1HG LYS 88 2HG LYS 88 31.906 -0.084 -1.488 949 2HG LYS 88 1HG LYS 88 31.173 -1.298 -2.536 950 1HD LYS 88 2HD LYS 88 31.922 0.294 -4.080 951 2HD LYS 88 1HD LYS 88 30.238 0.765 -3.844 952 1HE LYS 88 2HE LYS 88 31.443 2.794 -3.635 953 2HE LYS 88 1HE LYS 88 31.122 2.304 -1.971 954 1HZ LYS 88 1HZ LYS 88 33.641 2.110 -3.497 955 2HZ LYS 88 2HZ LYS 88 33.367 1.131 -2.136 956 3HZ LYS 88 3HZ LYS 88 33.370 2.824 -1.983 Start of MODEL 9 1 1H ARG 31 1H ARG 31 5.169 0.178 3.426 2 2H ARG 31 2H ARG 31 4.174 -0.752 2.410 3 3H ARG 31 3H ARG 31 3.562 0.645 3.158 4 HA ARG 31 HA ARG 31 4.209 0.793 0.706 5 1HB ARG 31 2HB ARG 31 3.923 2.646 2.634 6 2HB ARG 31 1HB ARG 31 5.634 2.886 2.280 7 1HG ARG 31 2HG ARG 31 5.219 3.462 0.038 8 2HG ARG 31 1HG ARG 31 3.618 2.723 0.049 9 1HD ARG 31 2HD ARG 31 4.153 4.986 1.935 10 2HD ARG 31 1HD ARG 31 3.890 5.355 0.230 11 HE ARG 31 HE ARG 31 1.868 3.562 1.306 12 1HH1 ARG 31 1HH2 ARG 31 2.840 6.905 0.977 13 2HH1 ARG 31 2HH2 ARG 31 1.221 7.495 1.134 14 1HH2 ARG 31 1HH1 ARG 31 -0.207 4.367 1.504 15 2HH2 ARG 31 2HH1 ARG 31 -0.487 6.074 1.429 16 H SER 32 H SER 32 5.854 -1.194 0.832 17 HA SER 32 HA SER 32 8.611 -0.702 1.359 18 1HB SER 32 2HB SER 32 7.578 -2.601 -0.746 19 2HB SER 32 1HB SER 32 9.044 -2.746 0.220 20 HG SER 32 HG SER 32 6.888 -3.894 0.797 21 H ASP 33 H ASP 33 6.578 0.110 -1.369 22 HA ASP 33 HA ASP 33 8.839 0.661 -3.129 23 1HB ASP 33 2HB ASP 33 7.077 1.548 -4.668 24 2HB ASP 33 1HB ASP 33 6.796 -0.117 -4.159 25 H ALA 34 H ALA 34 7.943 2.261 -0.461 26 HA ALA 34 HA ALA 34 7.926 4.964 -1.606 27 1HB ALA 34 1HB ALA 34 7.352 3.763 1.054 28 2HB ALA 34 2HB ALA 34 6.472 5.011 0.173 29 3HB ALA 34 3HB ALA 34 7.955 5.419 1.034 30 H GLU 35 H GLU 35 10.302 2.767 -0.979 31 HA GLU 35 HA GLU 35 12.178 4.478 0.447 32 1HB GLU 35 2HB GLU 35 12.734 1.914 -1.072 33 2HB GLU 35 1HB GLU 35 13.774 2.676 0.125 34 1HG GLU 35 2HG GLU 35 10.997 2.113 1.009 35 2HG GLU 35 1HG GLU 35 12.015 0.702 0.730 36 HA PRO 36 HA PRO 36 14.090 4.988 -3.922 37 1HB PRO 36 2HB PRO 36 12.681 4.120 -6.092 38 2HB PRO 36 1HB PRO 36 13.797 3.092 -5.184 39 1HG PRO 36 2HG PRO 36 10.863 3.026 -5.289 40 2HG PRO 36 1HG PRO 36 12.005 1.756 -4.827 41 1HD PRO 36 2HD PRO 36 10.449 3.417 -3.093 42 2HD PRO 36 1HD PRO 36 11.641 2.194 -2.634 43 H HIS 37 H HIS 37 10.533 5.201 -4.085 44 HA HIS 37 HA HIS 37 9.139 7.043 -4.424 45 1HB HIS 37 2HB HIS 37 11.245 8.254 -3.284 46 2HB HIS 37 1HB HIS 37 11.378 8.955 -4.896 47 HD1 HIS 37 HD1 HIS 37 9.748 9.527 -1.762 48 HD2 HIS 37 HD2 HIS 37 8.624 10.009 -5.748 49 HE1 HIS 37 HE1 HIS 37 7.781 11.122 -1.765 50 H TYR 38 H TYR 38 11.238 5.755 -6.659 51 HA TYR 38 HA TYR 38 10.035 7.396 -8.840 52 1HB TYR 38 2HB TYR 38 12.035 6.549 -10.215 53 2HB TYR 38 1HB TYR 38 12.371 7.783 -9.004 54 HD1 TYR 38 HD1 TYR 38 13.633 7.272 -6.996 55 HD2 TYR 38 HD2 TYR 38 12.704 4.203 -9.852 56 HE1 TYR 38 HE1 TYR 38 15.284 5.769 -5.917 57 HE2 TYR 38 HE2 TYR 38 14.354 2.699 -8.773 58 HH TYR 38 HH TYR 38 16.680 3.769 -6.621 59 H LEU 39 H LEU 39 10.871 4.165 -7.687 60 HA LEU 39 HA LEU 39 10.148 2.593 -9.897 61 1HB LEU 39 2HB LEU 39 10.648 2.181 -7.130 62 2HB LEU 39 1HB LEU 39 9.120 1.381 -7.485 63 HG LEU 39 HG LEU 39 10.970 -0.178 -7.859 64 1HD1 LEU 39 1HD1 LEU 39 8.950 0.329 -9.650 65 2HD1 LEU 39 2HD1 LEU 39 10.052 -1.043 -9.752 66 3HD1 LEU 39 3HD1 LEU 39 10.372 0.415 -10.689 67 1HD2 LEU 39 1HD2 LEU 39 12.000 1.615 -10.052 68 2HD2 LEU 39 2HD2 LEU 39 12.822 0.285 -9.234 69 3HD2 LEU 39 3HD2 LEU 39 12.563 1.812 -8.392 70 HA PRO 40 HA PRO 40 5.538 2.752 -8.477 71 1HB PRO 40 2HB PRO 40 4.839 4.615 -6.595 72 2HB PRO 40 1HB PRO 40 5.310 2.953 -6.209 73 1HG PRO 40 2HG PRO 40 6.849 5.468 -5.902 74 2HG PRO 40 1HG PRO 40 6.917 3.977 -4.956 75 1HD PRO 40 2HD PRO 40 8.764 4.743 -6.897 76 2HD PRO 40 1HD PRO 40 8.567 3.095 -6.265 77 H GLN 41 H GLN 41 7.488 5.568 -8.958 78 HA GLN 41 HA GLN 41 5.362 7.312 -9.922 79 1HB GLN 41 2HB GLN 41 7.346 8.382 -9.084 80 2HB GLN 41 1HB GLN 41 8.391 7.363 -10.061 81 1HG GLN 41 2HG GLN 41 8.212 9.659 -10.989 82 2HG GLN 41 1HG GLN 41 7.595 8.450 -12.110 83 1HE2 GLN 41 1HE2 GLN 41 5.829 9.630 -9.234 84 2HE2 GLN 41 2HE2 GLN 41 4.589 10.384 -10.109 85 H LEU 42 H LEU 42 7.611 4.961 -11.267 86 HA LEU 42 HA LEU 42 7.036 5.592 -14.019 87 1HB LEU 42 2HB LEU 42 8.313 3.161 -12.746 88 2HB LEU 42 1HB LEU 42 8.244 3.453 -14.467 89 HG LEU 42 HG LEU 42 10.126 4.683 -14.379 90 1HD1 LEU 42 1HD1 LEU 42 9.122 6.333 -12.051 91 2HD1 LEU 42 2HD1 LEU 42 8.659 6.654 -13.718 92 3HD1 LEU 42 3HD1 LEU 42 10.347 6.770 -13.235 93 1HD2 LEU 42 1HD2 LEU 42 11.189 4.887 -11.951 94 2HD2 LEU 42 2HD2 LEU 42 11.132 3.343 -12.800 95 3HD2 LEU 42 3HD2 LEU 42 9.931 3.713 -11.565 96 H ARG 43 H ARG 43 5.975 3.036 -11.755 97 HA ARG 43 HA ARG 43 4.390 1.595 -13.637 98 1HB ARG 43 2HB ARG 43 3.319 0.576 -11.718 99 2HB ARG 43 1HB ARG 43 5.021 0.772 -11.354 100 1HG ARG 43 2HG ARG 43 4.479 2.872 -10.127 101 2HG ARG 43 1HG ARG 43 2.768 2.557 -10.406 102 1HD ARG 43 2HD ARG 43 3.181 0.267 -9.314 103 2HD ARG 43 1HD ARG 43 4.715 0.938 -8.761 104 HE ARG 43 HE ARG 43 3.525 2.228 -7.191 105 1HH1 ARG 43 1HH2 ARG 43 1.353 1.036 -9.661 106 2HH1 ARG 43 2HH2 ARG 43 -0.056 1.608 -8.839 107 1HH2 ARG 43 2HH1 ARG 43 1.673 2.951 -6.162 108 2HH2 ARG 43 1HH1 ARG 43 0.121 2.681 -6.880 109 H LYS 44 H LYS 44 3.546 4.301 -11.453 110 HA LYS 44 HA LYS 44 0.812 4.383 -12.258 111 1HB LYS 44 2HB LYS 44 0.735 6.552 -11.177 112 2HB LYS 44 1HB LYS 44 1.718 5.481 -10.192 113 1HG LYS 44 2HG LYS 44 3.756 6.459 -11.100 114 2HG LYS 44 1HG LYS 44 2.819 7.465 -12.201 115 1HD LYS 44 2HD LYS 44 3.367 8.863 -10.342 116 2HD LYS 44 1HD LYS 44 1.671 8.433 -10.144 117 1HE LYS 44 2HE LYS 44 2.867 6.372 -8.821 118 2HE LYS 44 1HE LYS 44 4.012 7.674 -8.501 119 1HZ LYS 44 1HZ LYS 44 2.250 7.567 -6.835 120 2HZ LYS 44 2HZ LYS 44 1.082 7.823 -8.042 121 3HZ LYS 44 3HZ LYS 44 2.217 9.035 -7.681 122 H ASP 45 H ASP 45 3.789 5.684 -13.594 123 HA ASP 45 HA ASP 45 2.613 7.528 -15.433 124 1HB ASP 45 2HB ASP 45 5.233 6.041 -15.382 125 2HB ASP 45 1HB ASP 45 4.803 7.100 -16.716 126 H ILE 46 H ILE 46 3.581 4.083 -15.756 127 HA ILE 46 HA ILE 46 2.803 3.821 -18.487 128 HB ILE 46 HB ILE 46 4.167 2.141 -17.177 129 1HG1 ILE 46 2HG1 ILE 46 1.748 1.022 -18.623 130 2HG1 ILE 46 1HG1 ILE 46 3.160 1.714 -19.423 131 1HG2 ILE 46 1HG2 ILE 46 2.389 0.301 -16.258 132 2HG2 ILE 46 2HG2 ILE 46 1.578 1.786 -15.786 133 3HG2 ILE 46 3HG2 ILE 46 3.214 1.467 -15.233 134 1HD1 ILE 46 1HD1 ILE 46 4.565 -0.030 -18.737 135 2HD1 ILE 46 2HD1 ILE 46 3.054 -0.875 -19.067 136 3HD1 ILE 46 3HD1 ILE 46 3.507 -0.493 -17.406 137 H LEU 47 H LEU 47 0.927 3.837 -15.525 138 HA LEU 47 HA LEU 47 -1.504 2.776 -16.631 139 1HB LEU 47 2HB LEU 47 -0.840 4.481 -14.236 140 2HB LEU 47 1HB LEU 47 -2.515 4.174 -14.679 141 HG LEU 47 HG LEU 47 -0.502 1.948 -14.330 142 1HD1 LEU 47 1HD1 LEU 47 -1.131 3.564 -12.276 143 2HD1 LEU 47 2HD1 LEU 47 -0.933 1.822 -12.074 144 3HD1 LEU 47 3HD1 LEU 47 -2.548 2.513 -12.238 145 1HD2 LEU 47 1HD2 LEU 47 -2.826 0.813 -13.811 146 2HD2 LEU 47 2HD2 LEU 47 -2.340 1.087 -15.484 147 3HD2 LEU 47 3HD2 LEU 47 -3.473 2.190 -14.703 148 H GLU 48 H GLU 48 -0.294 6.089 -16.118 149 HA GLU 48 HA GLU 48 -2.526 7.393 -17.371 150 1HB GLU 48 2HB GLU 48 0.310 8.439 -17.245 151 2HB GLU 48 1HB GLU 48 -1.172 9.383 -17.394 152 1HG GLU 48 2HG GLU 48 -0.447 7.664 -15.016 153 2HG GLU 48 1HG GLU 48 -0.262 9.408 -15.100 154 H VAL 49 H VAL 49 0.619 6.227 -18.489 155 HA VAL 49 HA VAL 49 0.503 7.286 -21.104 156 HB VAL 49 HB VAL 49 1.723 4.635 -20.263 157 1HG1 VAL 49 1HG1 VAL 49 2.953 4.689 -22.257 158 2HG1 VAL 49 2HG1 VAL 49 2.697 6.417 -22.486 159 3HG1 VAL 49 3HG1 VAL 49 1.380 5.284 -22.783 160 1HG2 VAL 49 1HG2 VAL 49 3.445 5.783 -19.325 161 2HG2 VAL 49 2HG2 VAL 49 2.347 7.162 -19.301 162 3HG2 VAL 49 3HG2 VAL 49 3.484 6.966 -20.633 163 H ILE 50 H ILE 50 -0.482 4.012 -19.986 164 HA ILE 50 HA ILE 50 -1.694 3.159 -22.411 165 HB ILE 50 HB ILE 50 -2.596 2.514 -19.584 166 1HG1 ILE 50 2HG1 ILE 50 -0.826 0.761 -21.258 167 2HG1 ILE 50 1HG1 ILE 50 -0.105 2.110 -20.381 168 1HG2 ILE 50 1HG2 ILE 50 -2.951 1.028 -22.206 169 2HG2 ILE 50 2HG2 ILE 50 -4.224 1.867 -21.318 170 3HG2 ILE 50 3HG2 ILE 50 -3.456 0.441 -20.621 171 1HD1 ILE 50 1HD1 ILE 50 -1.980 0.243 -18.956 172 2HD1 ILE 50 2HD1 ILE 50 -0.678 1.230 -18.292 173 3HD1 ILE 50 3HD1 ILE 50 -0.300 -0.230 -19.207 174 H CYS 51 H CYS 51 -2.754 5.467 -20.019 175 HA CYS 51 HA CYS 51 -5.526 5.515 -20.830 176 1HB CYS 51 2HB CYS 51 -4.505 6.350 -18.601 177 2HB CYS 51 1HB CYS 51 -4.065 7.799 -19.506 178 HG CYS 51 HG CYS 51 -6.464 8.491 -19.617 179 H LYS 52 H LYS 52 -2.685 7.555 -21.517 180 HA LYS 52 HA LYS 52 -3.931 9.464 -23.195 181 1HB LYS 52 2HB LYS 52 -1.155 8.314 -23.581 182 2HB LYS 52 1HB LYS 52 -1.735 9.865 -24.171 183 1HG LYS 52 2HG LYS 52 -1.649 10.847 -22.084 184 2HG LYS 52 1HG LYS 52 -1.920 9.324 -21.236 185 1HD LYS 52 2HD LYS 52 0.329 9.476 -20.826 186 2HD LYS 52 1HD LYS 52 0.449 8.768 -22.436 187 1HE LYS 52 2HE LYS 52 1.883 10.663 -22.489 188 2HE LYS 52 1HE LYS 52 0.417 11.172 -23.328 189 1HZ LYS 52 1HZ LYS 52 0.932 12.883 -21.827 190 2HZ LYS 52 2HZ LYS 52 1.242 11.800 -20.554 191 3HZ LYS 52 3HZ LYS 52 -0.347 12.035 -21.107 192 H TYR 53 H TYR 53 -2.961 6.159 -23.847 193 HA TYR 53 HA TYR 53 -3.628 6.474 -26.722 194 1HB TYR 53 2HB TYR 53 -2.320 4.208 -25.186 195 2HB TYR 53 1HB TYR 53 -2.607 4.216 -26.916 196 HD1 TYR 53 HD1 TYR 53 -1.085 6.509 -24.346 197 HD2 TYR 53 HD2 TYR 53 -0.785 4.780 -28.257 198 HE1 TYR 53 HE1 TYR 53 1.070 7.657 -24.667 199 HE2 TYR 53 HE2 TYR 53 1.386 5.936 -28.585 200 HH TYR 53 HH TYR 53 3.278 6.892 -26.614 201 H VAL 54 H VAL 54 -4.866 5.141 -23.744 202 HA VAL 54 HA VAL 54 -7.260 4.168 -25.174 203 HB VAL 54 HB VAL 54 -6.001 2.232 -23.232 204 1HG1 VAL 54 1HG1 VAL 54 -7.431 0.675 -24.247 205 2HG1 VAL 54 2HG1 VAL 54 -7.557 1.615 -25.733 206 3HG1 VAL 54 3HG1 VAL 54 -8.391 2.154 -24.276 207 1HG2 VAL 54 1HG2 VAL 54 -5.411 2.286 -26.213 208 2HG2 VAL 54 2HG2 VAL 54 -4.863 1.069 -25.059 209 3HG2 VAL 54 3HG2 VAL 54 -4.251 2.719 -24.957 210 H GLN 55 H GLN 55 -7.796 2.643 -22.413 211 HA GLN 55 HA GLN 55 -7.860 4.770 -20.460 212 1HB GLN 55 2HB GLN 55 -10.049 4.568 -22.352 213 2HB GLN 55 1HB GLN 55 -10.622 4.282 -20.710 214 1HG GLN 55 2HG GLN 55 -9.610 6.378 -19.958 215 2HG GLN 55 1HG GLN 55 -8.942 6.658 -21.566 216 1HE2 GLN 55 1HE2 GLN 55 -11.252 7.941 -19.770 217 2HE2 GLN 55 2HE2 GLN 55 -12.491 8.170 -20.907 218 H ILE 56 H ILE 56 -7.427 3.555 -18.726 219 HA ILE 56 HA ILE 56 -9.159 1.204 -18.142 220 HB ILE 56 HB ILE 56 -6.994 0.103 -17.217 221 1HG1 ILE 56 2HG1 ILE 56 -5.547 1.430 -19.440 222 2HG1 ILE 56 1HG1 ILE 56 -5.821 2.430 -18.015 223 1HG2 ILE 56 1HG2 ILE 56 -6.824 0.064 -20.162 224 2HG2 ILE 56 2HG2 ILE 56 -8.436 -0.223 -19.509 225 3HG2 ILE 56 3HG2 ILE 56 -7.092 -1.257 -19.026 226 1HD1 ILE 56 1HD1 ILE 56 -4.474 -0.285 -18.093 227 2HD1 ILE 56 2HD1 ILE 56 -4.877 0.576 -16.608 228 3HD1 ILE 56 3HD1 ILE 56 -3.708 1.263 -17.737 229 H ASP 57 H ASP 57 -8.902 0.552 -15.810 230 HA ASP 57 HA ASP 57 -8.553 2.992 -14.139 231 1HB ASP 57 2HB ASP 57 -9.856 0.345 -13.418 232 2HB ASP 57 1HB ASP 57 -9.929 1.840 -12.487 233 HA PRO 58 HA PRO 58 -4.942 1.258 -12.241 234 1HB PRO 58 2HB PRO 58 -5.173 2.132 -9.657 235 2HB PRO 58 1HB PRO 58 -4.724 3.188 -11.007 236 1HG PRO 58 2HG PRO 58 -7.314 2.957 -9.568 237 2HG PRO 58 1HG PRO 58 -6.564 4.370 -10.327 238 1HD PRO 58 2HD PRO 58 -8.638 2.880 -11.438 239 2HD PRO 58 1HD PRO 58 -7.555 3.952 -12.350 240 H GLU 59 H GLU 59 -8.045 0.651 -10.709 241 HA GLU 59 HA GLU 59 -7.177 -1.518 -9.014 242 1HB GLU 59 2HB GLU 59 -9.888 -0.858 -10.207 243 2HB GLU 59 1HB GLU 59 -9.616 -2.120 -9.005 244 1HG GLU 59 2HG GLU 59 -8.473 -0.229 -7.622 245 2HG GLU 59 1HG GLU 59 -9.348 0.863 -8.697 246 H MET 60 H MET 60 -7.542 -1.220 -12.430 247 HA MET 60 HA MET 60 -8.030 -4.097 -12.849 248 1HB MET 60 2HB MET 60 -7.774 -1.687 -14.651 249 2HB MET 60 1HB MET 60 -7.690 -3.317 -15.310 250 1HG MET 60 2HG MET 60 -9.887 -3.839 -14.646 251 2HG MET 60 1HG MET 60 -9.937 -2.527 -13.470 252 1HE MET 60 1HE MET 60 -8.959 -2.481 -17.526 253 2HE MET 60 2HE MET 60 -10.676 -2.598 -17.901 254 3HE MET 60 3HE MET 60 -9.928 -3.795 -16.847 255 H VAL 61 H VAL 61 -5.379 -1.825 -12.729 256 HA VAL 61 HA VAL 61 -3.535 -3.801 -13.954 257 HB VAL 61 HB VAL 61 -2.958 -0.992 -12.968 258 1HG1 VAL 61 1HG1 VAL 61 -1.055 -2.684 -13.244 259 2HG1 VAL 61 2HG1 VAL 61 -0.901 -1.185 -14.159 260 3HG1 VAL 61 3HG1 VAL 61 -1.424 -2.662 -14.967 261 1HG2 VAL 61 1HG2 VAL 61 -4.130 -2.050 -15.488 262 2HG2 VAL 61 2HG2 VAL 61 -2.875 -0.825 -15.670 263 3HG2 VAL 61 3HG2 VAL 61 -4.326 -0.468 -14.735 264 H THR 62 H THR 62 -2.556 -5.225 -12.591 265 HA THR 62 HA THR 62 -2.495 -4.674 -9.708 266 HB THR 62 HB THR 62 -1.344 -7.134 -11.005 267 HG1 THR 62 HG1 THR 62 -4.066 -6.500 -10.525 268 1HG2 THR 62 1HG2 THR 62 -2.561 -8.023 -8.842 269 2HG2 THR 62 2HG2 THR 62 -2.463 -6.334 -8.342 270 3HG2 THR 62 3HG2 THR 62 -0.990 -7.231 -8.713 271 H VAL 63 H VAL 63 -0.471 -4.998 -8.483 272 HA VAL 63 HA VAL 63 2.027 -4.619 -10.045 273 HB VAL 63 HB VAL 63 1.239 -2.863 -7.706 274 1HG1 VAL 63 1HG1 VAL 63 3.309 -1.858 -7.916 275 2HG1 VAL 63 2HG1 VAL 63 3.429 -2.230 -9.636 276 3HG1 VAL 63 3HG1 VAL 63 3.735 -3.488 -8.439 277 1HG2 VAL 63 1HG2 VAL 63 1.225 -2.358 -10.691 278 2HG2 VAL 63 2HG2 VAL 63 1.165 -1.067 -9.491 279 3HG2 VAL 63 3HG2 VAL 63 -0.142 -2.247 -9.581 280 H GLN 64 H GLN 64 3.636 -5.873 -9.185 281 HA GLN 64 HA GLN 64 3.539 -6.585 -6.314 282 1HB GLN 64 2HB GLN 64 3.862 -9.012 -6.901 283 2HB GLN 64 1HB GLN 64 2.273 -8.383 -7.333 284 1HG GLN 64 2HG GLN 64 4.280 -8.048 -9.462 285 2HG GLN 64 1HG GLN 64 3.964 -9.732 -9.054 286 1HE2 GLN 64 1HE2 GLN 64 1.940 -10.626 -9.682 287 2HE2 GLN 64 2HE2 GLN 64 0.746 -9.745 -10.506 288 H LEU 65 H LEU 65 5.586 -6.698 -5.448 289 HA LEU 65 HA LEU 65 7.843 -6.488 -7.362 290 1HB LEU 65 2HB LEU 65 9.075 -5.566 -5.401 291 2HB LEU 65 1HB LEU 65 7.686 -4.595 -5.866 292 HG LEU 65 HG LEU 65 7.146 -6.742 -3.893 293 1HD1 LEU 65 1HD1 LEU 65 7.992 -5.183 -2.047 294 2HD1 LEU 65 2HD1 LEU 65 8.917 -4.361 -3.304 295 3HD1 LEU 65 3HD1 LEU 65 9.230 -6.059 -2.948 296 1HD2 LEU 65 1HD2 LEU 65 5.502 -5.266 -3.193 297 2HD2 LEU 65 2HD2 LEU 65 5.692 -4.728 -4.861 298 3HD2 LEU 65 3HD2 LEU 65 6.479 -3.843 -3.556 299 H GLU 66 H GLU 66 9.757 -7.698 -6.964 300 HA GLU 66 HA GLU 66 9.633 -9.862 -4.949 301 1HB GLU 66 2HB GLU 66 9.779 -10.269 -7.940 302 2HB GLU 66 1HB GLU 66 10.391 -11.480 -6.819 303 1HG GLU 66 2HG GLU 66 7.563 -10.392 -6.909 304 2HG GLU 66 1HG GLU 66 8.072 -11.976 -7.483 305 H GLN 67 H GLN 67 11.854 -11.127 -5.139 306 HA GLN 67 HA GLN 67 14.051 -9.361 -6.067 307 1HB GLN 67 2HB GLN 67 13.405 -10.001 -3.211 308 2HB GLN 67 1HB GLN 67 15.103 -9.931 -3.683 309 1HG GLN 67 2HG GLN 67 14.961 -7.667 -4.320 310 2HG GLN 67 1HG GLN 67 13.204 -7.718 -4.445 311 1HE2 GLN 67 1HE2 GLN 67 11.996 -8.011 -2.316 312 2HE2 GLN 67 2HE2 GLN 67 12.691 -7.373 -0.905 313 H LYS 68 H LYS 68 16.102 -10.511 -6.195 314 HA LYS 68 HA LYS 68 15.733 -13.474 -6.300 315 1HB LYS 68 2HB LYS 68 17.424 -11.559 -7.871 316 2HB LYS 68 1HB LYS 68 17.907 -13.246 -7.742 317 1HG LYS 68 2HG LYS 68 16.266 -13.939 -9.143 318 2HG LYS 68 1HG LYS 68 15.058 -12.910 -8.377 319 1HD LYS 68 2HD LYS 68 15.394 -12.194 -10.691 320 2HD LYS 68 1HD LYS 68 15.995 -10.951 -9.595 321 1HE LYS 68 2HE LYS 68 17.713 -11.171 -11.206 322 2HE LYS 68 1HE LYS 68 18.289 -12.122 -9.839 323 1HZ LYS 68 1HZ LYS 68 18.472 -13.249 -12.031 324 2HZ LYS 68 2HZ LYS 68 16.774 -13.271 -12.116 325 3HZ LYS 68 3HZ LYS 68 17.577 -14.116 -10.880 326 H ASP 69 H ASP 69 18.002 -14.610 -5.997 327 HA ASP 69 HA ASP 69 18.933 -13.878 -3.342 328 1HB ASP 69 2HB ASP 69 19.414 -16.141 -5.238 329 2HB ASP 69 1HB ASP 69 20.563 -15.877 -3.926 330 H GLY 70 H GLY 70 19.832 -12.892 -6.464 331 1HA GLY 70 2HA GLY 70 22.684 -12.517 -5.729 332 2HA GLY 70 1HA GLY 70 21.997 -12.274 -7.334 333 H ASP 71 H ASP 71 20.524 -10.988 -4.415 334 HA ASP 71 HA ASP 71 20.098 -8.785 -3.749 335 1HB ASP 71 2HB ASP 71 22.845 -8.568 -4.969 336 2HB ASP 71 1HB ASP 71 22.009 -7.132 -4.382 337 H ILE 72 H ILE 72 18.691 -9.531 -5.929 338 HA ILE 72 HA ILE 72 18.744 -7.090 -7.649 339 HB ILE 72 HB ILE 72 17.918 -9.844 -8.583 340 1HG1 ILE 72 2HG1 ILE 72 20.602 -8.444 -8.742 341 2HG1 ILE 72 1HG1 ILE 72 20.260 -10.004 -8.015 342 1HG2 ILE 72 1HG2 ILE 72 18.572 -7.248 -9.997 343 2HG2 ILE 72 2HG2 ILE 72 16.980 -7.994 -9.856 344 3HG2 ILE 72 3HG2 ILE 72 18.236 -8.773 -10.816 345 1HD1 ILE 72 1HD1 ILE 72 20.960 -9.425 -10.745 346 2HD1 ILE 72 2HD1 ILE 72 19.358 -10.161 -10.702 347 3HD1 ILE 72 3HD1 ILE 72 20.732 -10.995 -9.977 348 H SER 73 H SER 73 16.575 -6.559 -8.556 349 HA SER 73 HA SER 73 14.388 -7.490 -6.739 350 1HB SER 73 2HB SER 73 14.993 -4.795 -7.936 351 2HB SER 73 1HB SER 73 13.355 -5.206 -7.437 352 HG SER 73 HG SER 73 15.609 -4.688 -5.936 353 H ILE 74 H ILE 74 12.194 -7.340 -7.774 354 HA ILE 74 HA ILE 74 12.165 -7.563 -10.722 355 HB ILE 74 HB ILE 74 11.367 -9.795 -8.833 356 1HG1 ILE 74 2HG1 ILE 74 13.423 -9.609 -11.050 357 2HG1 ILE 74 1HG1 ILE 74 13.752 -9.725 -9.327 358 1HG2 ILE 74 1HG2 ILE 74 10.587 -11.015 -10.813 359 2HG2 ILE 74 2HG2 ILE 74 10.991 -9.639 -11.840 360 3HG2 ILE 74 3HG2 ILE 74 9.694 -9.503 -10.652 361 1HD1 ILE 74 1HD1 ILE 74 13.637 -11.966 -9.410 362 2HD1 ILE 74 2HD1 ILE 74 13.424 -11.863 -11.157 363 3HD1 ILE 74 3HD1 ILE 74 12.015 -11.892 -10.098 364 H LEU 75 H LEU 75 10.803 -5.690 -10.650 365 HA LEU 75 HA LEU 75 8.309 -5.849 -9.105 366 1HB LEU 75 2HB LEU 75 9.714 -3.736 -9.273 367 2HB LEU 75 1HB LEU 75 9.166 -3.617 -10.940 368 HG LEU 75 HG LEU 75 7.008 -4.099 -8.982 369 1HD1 LEU 75 1HD1 LEU 75 8.868 -2.363 -8.063 370 2HD1 LEU 75 2HD1 LEU 75 7.143 -2.167 -7.760 371 3HD1 LEU 75 3HD1 LEU 75 7.916 -1.271 -9.067 372 1HD2 LEU 75 1HD2 LEU 75 5.847 -2.507 -10.386 373 2HD2 LEU 75 2HD2 LEU 75 6.748 -3.592 -11.445 374 3HD2 LEU 75 3HD2 LEU 75 7.361 -1.971 -11.115 375 H GLU 76 H GLU 76 6.805 -7.111 -10.043 376 HA GLU 76 HA GLU 76 6.409 -6.936 -12.991 377 1HB GLU 76 2HB GLU 76 5.165 -8.908 -11.051 378 2HB GLU 76 1HB GLU 76 5.209 -9.026 -12.808 379 1HG GLU 76 2HG GLU 76 7.512 -9.529 -12.840 380 2HG GLU 76 1HG GLU 76 7.768 -8.892 -11.216 381 H LEU 77 H LEU 77 4.365 -6.316 -13.813 382 HA LEU 77 HA LEU 77 2.295 -5.558 -11.814 383 1HB LEU 77 2HB LEU 77 1.894 -3.436 -13.135 384 2HB LEU 77 1HB LEU 77 3.405 -3.464 -12.230 385 HG LEU 77 HG LEU 77 3.402 -4.431 -15.067 386 1HD1 LEU 77 1HD1 LEU 77 3.809 -1.523 -14.394 387 2HD1 LEU 77 2HD1 LEU 77 2.209 -2.137 -14.813 388 3HD1 LEU 77 3HD1 LEU 77 3.533 -2.261 -15.972 389 1HD2 LEU 77 1HD2 LEU 77 5.329 -3.285 -13.071 390 2HD2 LEU 77 2HD2 LEU 77 5.672 -3.099 -14.791 391 3HD2 LEU 77 3HD2 LEU 77 5.505 -4.709 -14.093 392 H ASN 78 H ASN 78 0.311 -6.243 -12.443 393 HA ASN 78 HA ASN 78 0.024 -7.462 -15.110 394 1HB ASN 78 2HB ASN 78 -2.049 -7.277 -12.921 395 2HB ASN 78 1HB ASN 78 -1.982 -8.424 -14.243 396 1HD2 ASN 78 1HD2 ASN 78 1.000 -8.861 -13.871 397 2HD2 ASN 78 2HD2 ASN 78 1.133 -9.817 -12.477 398 H VAL 79 H VAL 79 -1.418 -6.673 -16.674 399 HA VAL 79 HA VAL 79 -2.737 -4.069 -16.014 400 HB VAL 79 HB VAL 79 -1.588 -4.835 -18.709 401 1HG1 VAL 79 1HG1 VAL 79 -3.493 -3.131 -18.474 402 2HG1 VAL 79 2HG1 VAL 79 -2.041 -2.577 -19.309 403 3HG1 VAL 79 3HG1 VAL 79 -2.326 -2.111 -17.633 404 1HG2 VAL 79 1HG2 VAL 79 0.313 -3.446 -18.190 405 2HG2 VAL 79 2HG2 VAL 79 0.136 -4.582 -16.852 406 3HG2 VAL 79 3HG2 VAL 79 -0.416 -2.918 -16.673 407 H THR 80 H THR 80 -4.719 -5.179 -15.588 408 HA THR 80 HA THR 80 -5.912 -6.973 -17.531 409 HB THR 80 HB THR 80 -7.215 -5.454 -15.250 410 HG1 THR 80 HG1 THR 80 -6.585 -7.061 -14.003 411 1HG2 THR 80 1HG2 THR 80 -9.041 -6.238 -16.412 412 2HG2 THR 80 2HG2 THR 80 -8.663 -7.693 -15.491 413 3HG2 THR 80 3HG2 THR 80 -8.131 -7.547 -17.166 414 H LEU 81 H LEU 81 -6.069 -5.906 -19.533 415 HA LEU 81 HA LEU 81 -7.339 -3.265 -19.704 416 1HB LEU 81 2HB LEU 81 -6.265 -5.252 -21.716 417 2HB LEU 81 1HB LEU 81 -7.179 -3.835 -22.223 418 HG LEU 81 HG LEU 81 -4.987 -3.361 -20.273 419 1HD1 LEU 81 1HD1 LEU 81 -3.858 -4.917 -21.744 420 2HD1 LEU 81 2HD1 LEU 81 -3.329 -3.289 -22.171 421 3HD1 LEU 81 3HD1 LEU 81 -4.521 -4.121 -23.170 422 1HD2 LEU 81 1HD2 LEU 81 -4.931 -1.264 -21.286 423 2HD2 LEU 81 2HD2 LEU 81 -6.619 -1.707 -21.541 424 3HD2 LEU 81 3HD2 LEU 81 -5.450 -1.894 -22.849 425 HA PRO 82 HA PRO 82 -11.410 -5.086 -20.039 426 1HB PRO 82 2HB PRO 82 -12.762 -2.846 -20.825 427 2HB PRO 82 1HB PRO 82 -12.206 -3.126 -19.168 428 1HG PRO 82 2HG PRO 82 -11.161 -1.270 -21.206 429 2HG PRO 82 1HG PRO 82 -11.044 -1.194 -19.443 430 1HD PRO 82 2HD PRO 82 -9.012 -2.016 -21.249 431 2HD PRO 82 1HD PRO 82 -8.981 -2.132 -19.477 432 H GLU 83 H GLU 83 -13.385 -4.587 -21.808 433 HA GLU 83 HA GLU 83 -12.683 -5.993 -24.143 434 1HB GLU 83 2HB GLU 83 -14.997 -4.361 -23.259 435 2HB GLU 83 1HB GLU 83 -14.848 -4.608 -24.999 436 1HG GLU 83 2HG GLU 83 -15.158 -6.891 -24.845 437 2HG GLU 83 1HG GLU 83 -14.478 -6.979 -23.219 438 H ALA 84 H ALA 84 -13.002 -5.043 -26.435 439 HA ALA 84 HA ALA 84 -12.407 -2.309 -26.993 440 1HB ALA 84 1HB ALA 84 -10.216 -3.116 -25.935 441 2HB ALA 84 2HB ALA 84 -10.080 -2.373 -27.528 442 3HB ALA 84 3HB ALA 84 -10.020 -4.128 -27.365 443 H GLU 85 H GLU 85 -10.959 -2.623 -29.386 444 HA GLU 85 HA GLU 85 -12.962 -3.507 -31.194 445 1HB GLU 85 2HB GLU 85 -10.806 -2.006 -31.536 446 2HB GLU 85 1HB GLU 85 -10.080 -3.544 -32.007 447 1HG GLU 85 2HG GLU 85 -12.168 -3.830 -33.517 448 2HG GLU 85 1HG GLU 85 -12.400 -2.097 -33.278 449 H GLU 86 H GLU 86 -13.509 -5.539 -31.831 450 HA GLU 86 HA GLU 86 -11.963 -7.816 -30.865 451 1HB GLU 86 2HB GLU 86 -14.580 -7.534 -31.067 452 2HB GLU 86 1HB GLU 86 -14.303 -8.093 -32.718 453 1HG GLU 86 2HG GLU 86 -14.692 -10.081 -31.494 454 2HG GLU 86 1HG GLU 86 -12.935 -10.001 -31.640 455 H LEU 87 H LEU 87 -10.225 -6.660 -32.467 456 HA LEU 87 HA LEU 87 -10.380 -8.173 -35.046 457 1HB LEU 87 2HB LEU 87 -10.402 -5.510 -34.972 458 2HB LEU 87 1HB LEU 87 -8.662 -5.737 -34.796 459 HG LEU 87 HG LEU 87 -8.937 -7.393 -36.806 460 1HD1 LEU 87 1HD1 LEU 87 -11.538 -5.929 -36.703 461 2HD1 LEU 87 2HD1 LEU 87 -11.195 -7.573 -37.243 462 3HD1 LEU 87 3HD1 LEU 87 -10.821 -6.205 -38.290 463 1HD2 LEU 87 1HD2 LEU 87 -9.363 -4.528 -37.586 464 2HD2 LEU 87 2HD2 LEU 87 -8.192 -5.692 -38.206 465 3HD2 LEU 87 3HD2 LEU 87 -7.939 -4.942 -36.631 466 H LYS 88 HN LYS 88 -9.257 -9.967 -34.103 467 HA LYS 88 HA LYS 88 -6.564 -9.484 -32.980 468 1HB LYS 88 2HB LYS 88 -8.345 -11.246 -32.174 469 2HB LYS 88 1HB LYS 88 -7.703 -12.216 -33.501 470 1HG LYS 88 2HG LYS 88 -5.374 -11.664 -32.520 471 2HG LYS 88 1HG LYS 88 -6.251 -11.171 -31.071 472 1HD LYS 88 2HD LYS 88 -7.186 -13.358 -30.782 473 2HD LYS 88 1HD LYS 88 -6.645 -13.871 -32.381 474 1HE LYS 88 2HE LYS 88 -4.940 -14.784 -31.132 475 2HE LYS 88 1HE LYS 88 -4.266 -13.170 -31.363 476 1HZ LYS 88 1HZ LYS 88 -5.254 -12.510 -29.249 477 2HZ LYS 88 2HZ LYS 88 -4.176 -13.807 -29.048 478 3HZ LYS 88 3HZ LYS 88 -5.853 -14.081 -29.023 479 1H ARG 31 1H ARG 31 2.897 -11.867 -33.925 480 2H ARG 31 2H ARG 31 3.741 -12.207 -32.491 481 3H ARG 31 3H ARG 31 4.583 -11.685 -33.872 482 HA ARG 31 HA ARG 31 4.153 -9.992 -32.027 483 1HB ARG 31 2HB ARG 31 4.691 -9.737 -34.650 484 2HB ARG 31 1HB ARG 31 3.097 -8.981 -34.624 485 1HG ARG 31 2HG ARG 31 3.781 -7.301 -33.126 486 2HG ARG 31 1HG ARG 31 5.185 -8.224 -32.588 487 1HD ARG 31 2HD ARG 31 5.011 -7.450 -35.475 488 2HD ARG 31 1HD ARG 31 5.465 -6.217 -34.300 489 HE ARG 31 HE ARG 31 6.981 -8.678 -33.973 490 1HH1 ARG 31 1HH2 ARG 31 6.765 -5.667 -35.738 491 2HH1 ARG 31 2HH2 ARG 31 8.456 -5.641 -36.097 492 1HH2 ARG 31 1HH1 ARG 31 9.161 -8.606 -34.459 493 2HH2 ARG 31 2HH1 ARG 31 9.800 -7.287 -35.382 494 H SER 32 H SER 32 2.120 -11.271 -31.076 495 HA SER 32 HA SER 32 -0.501 -10.611 -31.983 496 1HB SER 32 2HB SER 32 0.252 -11.077 -29.098 497 2HB SER 32 1HB SER 32 -1.275 -11.446 -29.895 498 HG SER 32 HG SER 32 0.542 -13.140 -29.536 499 H ASP 33 H ASP 33 1.843 -8.805 -30.118 500 HA ASP 33 HA ASP 33 -0.120 -6.862 -29.180 501 1HB ASP 33 2HB ASP 33 1.892 -5.638 -28.337 502 2HB ASP 33 1HB ASP 33 1.778 -7.298 -27.751 503 H ALA 34 H ALA 34 0.907 -7.369 -32.209 504 HA ALA 34 HA ALA 34 1.575 -4.589 -32.871 505 1HB ALA 34 1HB ALA 34 1.695 -7.211 -34.272 506 2HB ALA 34 2HB ALA 34 2.879 -5.905 -34.232 507 3HB ALA 34 3HB ALA 34 1.459 -5.777 -35.270 508 H GLU 35 H GLU 35 -1.250 -6.170 -32.253 509 HA GLU 35 HA GLU 35 -2.816 -5.273 -34.539 510 1HB GLU 35 2HB GLU 35 -3.795 -6.266 -31.848 511 2HB GLU 35 1HB GLU 35 -4.730 -6.153 -33.334 512 1HG GLU 35 2HG GLU 35 -2.205 -7.702 -33.521 513 2HG GLU 35 1HG GLU 35 -3.477 -8.423 -32.538 514 HA PRO 36 HA PRO 36 -4.267 -1.904 -31.450 515 1HB PRO 36 2HB PRO 36 -2.926 -1.606 -29.092 516 2HB PRO 36 1HB PRO 36 -4.295 -2.706 -29.298 517 1HG PRO 36 2HG PRO 36 -1.442 -3.318 -28.969 518 2HG PRO 36 1HG PRO 36 -2.855 -4.338 -28.676 519 1HD PRO 36 2HD PRO 36 -1.107 -4.390 -30.941 520 2HD PRO 36 1HD PRO 36 -2.561 -5.362 -30.676 521 H HIS 37 H HIS 37 -0.743 -2.396 -31.195 522 HA HIS 37 HA HIS 37 1.030 -1.052 -31.906 523 1HB HIS 37 2HB HIS 37 -0.845 -0.329 -33.683 524 2HB HIS 37 1HB HIS 37 -0.714 1.193 -32.804 525 HD1 HIS 37 HD1 HIS 37 0.778 -0.547 -35.553 526 HD2 HIS 37 HD2 HIS 37 2.254 1.932 -32.543 527 HE1 HIS 37 HE1 HIS 37 3.034 0.285 -36.350 528 H TYR 38 H TYR 38 -1.133 -0.302 -29.494 529 HA TYR 38 HA TYR 38 0.540 2.006 -28.615 530 1HB TYR 38 2HB TYR 38 -1.494 2.576 -27.149 531 2HB TYR 38 1HB TYR 38 -1.644 2.899 -28.872 532 HD1 TYR 38 HD1 TYR 38 -3.122 1.589 -30.281 533 HD2 TYR 38 HD2 TYR 38 -2.667 0.672 -26.109 534 HE1 TYR 38 HE1 TYR 38 -5.125 0.131 -30.383 535 HE2 TYR 38 HE2 TYR 38 -4.671 -0.787 -26.213 536 HH TYR 38 HH TYR 38 -6.862 -0.722 -28.739 537 H LEU 39 H LEU 39 -1.040 -1.018 -27.704 538 HA LEU 39 HA LEU 39 -0.514 -1.101 -24.949 539 1HB LEU 39 2HB LEU 39 -1.282 -2.942 -26.974 540 2HB LEU 39 1HB LEU 39 0.062 -3.682 -26.111 541 HG LEU 39 HG LEU 39 -2.046 -4.289 -25.023 542 1HD1 LEU 39 1HD1 LEU 39 0.156 -3.268 -23.734 543 2HD1 LEU 39 2HD1 LEU 39 -1.203 -4.047 -22.924 544 3HD1 LEU 39 3HD1 LEU 39 -1.141 -2.289 -23.047 545 1HD2 LEU 39 1HD2 LEU 39 -2.517 -1.383 -24.380 546 2HD2 LEU 39 2HD2 LEU 39 -3.657 -2.726 -24.316 547 3HD2 LEU 39 3HD2 LEU 39 -3.139 -2.083 -25.873 548 HA PRO 40 HA PRO 40 3.914 -2.788 -25.864 549 1HB PRO 40 2HB PRO 40 4.858 -2.585 -28.428 550 2HB PRO 40 1HB PRO 40 4.021 -4.010 -27.796 551 1HG PRO 40 2HG PRO 40 3.032 -1.899 -29.628 552 2HG PRO 40 1HG PRO 40 2.583 -3.606 -29.520 553 1HD PRO 40 2HD PRO 40 1.080 -1.476 -28.534 554 2HD PRO 40 1HD PRO 40 0.879 -3.176 -28.063 555 H GLN 41 H GLN 41 2.643 0.108 -27.267 556 HA GLN 41 HA GLN 41 5.153 1.585 -27.365 557 1HB GLN 41 2HB GLN 41 3.386 2.350 -28.808 558 2HB GLN 41 1HB GLN 41 2.220 2.349 -27.495 559 1HG GLN 41 2HG GLN 41 2.946 4.650 -28.083 560 2HG GLN 41 1HG GLN 41 3.370 4.232 -26.425 561 1HE2 GLN 41 1HE2 GLN 41 5.140 3.091 -29.314 562 2HE2 GLN 41 2HE2 GLN 41 6.570 3.932 -28.964 563 H LEU 42 H LEU 42 2.556 1.015 -25.058 564 HA LEU 42 HA LEU 42 3.442 3.003 -23.167 565 1HB LEU 42 2HB LEU 42 1.592 0.628 -22.857 566 2HB LEU 42 1HB LEU 42 1.842 1.851 -21.635 567 HG LEU 42 HG LEU 42 0.262 3.159 -22.561 568 1HD1 LEU 42 1HD1 LEU 42 1.428 2.867 -25.338 569 2HD1 LEU 42 2HD1 LEU 42 2.063 4.000 -24.149 570 3HD1 LEU 42 3HD1 LEU 42 0.409 4.164 -24.724 571 1HD2 LEU 42 1HD2 LEU 42 -0.900 2.117 -24.713 572 2HD2 LEU 42 2HD2 LEU 42 -1.113 1.398 -23.118 573 3HD2 LEU 42 3HD2 LEU 42 0.051 0.707 -24.247 574 H ARG 43 H ARG 43 3.776 -0.547 -23.419 575 HA ARG 43 HA ARG 43 5.147 -0.904 -20.945 576 1HB ARG 43 2HB ARG 43 5.841 -3.053 -21.818 577 2HB ARG 43 1HB ARG 43 4.199 -2.754 -22.347 578 1HG ARG 43 2HG ARG 43 5.086 -1.949 -24.531 579 2HG ARG 43 1HG ARG 43 6.706 -2.394 -24.001 580 1HD ARG 43 2HD ARG 43 5.744 -4.736 -23.565 581 2HD ARG 43 1HD ARG 43 4.351 -4.212 -24.513 582 HE ARG 43 HE ARG 43 5.676 -4.379 -26.454 583 1HH1 ARG 43 1HH2 ARG 43 7.711 -4.320 -23.609 584 2HH1 ARG 43 2HH2 ARG 43 9.149 -4.654 -24.509 585 1HH2 ARG 43 2HH1 ARG 43 7.562 -4.810 -27.577 586 2HH2 ARG 43 1HH1 ARG 43 9.068 -4.929 -26.731 587 H LYS 44 H LYS 44 6.391 -0.253 -24.235 588 HA LYS 44 HA LYS 44 9.130 -0.295 -23.443 589 1HB LYS 44 2HB LYS 44 9.590 0.748 -25.583 590 2HB LYS 44 1HB LYS 44 8.335 -0.458 -25.817 591 1HG LYS 44 2HG LYS 44 6.619 1.271 -25.803 592 2HG LYS 44 1HG LYS 44 7.823 2.505 -25.440 593 1HD LYS 44 2HD LYS 44 7.455 2.622 -27.799 594 2HD LYS 44 1HD LYS 44 9.003 1.810 -27.586 595 1HE LYS 44 2HE LYS 44 7.310 -0.324 -27.526 596 2HE LYS 44 1HE LYS 44 6.446 0.748 -28.629 597 1HZ LYS 44 1HZ LYS 44 8.025 -0.688 -29.786 598 2HZ LYS 44 2HZ LYS 44 9.302 -0.025 -28.881 599 3HZ LYS 44 3HZ LYS 44 8.428 0.950 -29.964 600 H ASP 45 H ASP 45 6.597 2.137 -23.339 601 HA ASP 45 HA ASP 45 8.262 4.409 -22.855 602 1HB ASP 45 2HB ASP 45 5.389 3.772 -22.207 603 2HB ASP 45 1HB ASP 45 6.126 5.291 -21.724 604 H ILE 46 H ILE 46 6.612 2.113 -20.640 605 HA ILE 46 HA ILE 46 7.504 3.347 -18.229 606 HB ILE 46 HB ILE 46 5.727 1.553 -18.395 607 1HG1 ILE 46 2HG1 ILE 46 7.949 1.016 -16.402 608 2HG1 ILE 46 1HG1 ILE 46 6.775 2.325 -16.262 609 1HG2 ILE 46 1HG2 ILE 46 7.007 -0.800 -17.931 610 2HG2 ILE 46 2HG2 ILE 46 8.078 -0.089 -19.127 611 3HG2 ILE 46 3HG2 ILE 46 6.378 -0.317 -19.500 612 1HD1 ILE 46 1HD1 ILE 46 4.988 0.859 -15.889 613 2HD1 ILE 46 2HD1 ILE 46 6.305 0.071 -15.022 614 3HD1 ILE 46 3HD1 ILE 46 5.829 -0.509 -16.617 615 H LEU 47 H LEU 47 9.131 1.221 -20.496 616 HA LEU 47 HA LEU 47 11.353 0.527 -18.811 617 1HB LEU 47 2HB LEU 47 10.899 0.593 -21.790 618 2HB LEU 47 1HB LEU 47 12.498 0.258 -21.135 619 HG LEU 47 HG LEU 47 10.039 -1.258 -20.250 620 1HD1 LEU 47 1HD1 LEU 47 10.852 -1.336 -22.811 621 2HD1 LEU 47 2HD1 LEU 47 10.275 -2.773 -21.966 622 3HD1 LEU 47 3HD1 LEU 47 12.008 -2.479 -22.126 623 1HD2 LEU 47 1HD2 LEU 47 12.028 -2.942 -19.839 624 2HD2 LEU 47 2HD2 LEU 47 11.729 -1.643 -18.686 625 3HD2 LEU 47 3HD2 LEU 47 13.013 -1.480 -19.883 626 H GLU 48 H GLU 48 10.839 3.070 -21.255 627 HA GLU 48 HA GLU 48 13.379 4.352 -20.853 628 1HB GLU 48 2HB GLU 48 10.828 5.697 -21.768 629 2HB GLU 48 1HB GLU 48 12.482 6.207 -22.098 630 1HG GLU 48 2HG GLU 48 11.244 3.622 -23.058 631 2HG GLU 48 1HG GLU 48 11.440 5.073 -24.026 632 H VAL 49 H VAL 49 10.143 4.765 -19.488 633 HA VAL 49 HA VAL 49 10.663 7.102 -17.993 634 HB VAL 49 HB VAL 49 8.854 4.797 -17.201 635 1HG1 VAL 49 1HG1 VAL 49 7.805 6.270 -15.710 636 2HG1 VAL 49 2HG1 VAL 49 8.438 7.701 -16.522 637 3HG1 VAL 49 3HG1 VAL 49 9.502 6.710 -15.525 638 1HG2 VAL 49 1HG2 VAL 49 7.353 5.508 -18.751 639 2HG2 VAL 49 2HG2 VAL 49 8.713 6.337 -19.503 640 3HG2 VAL 49 3HG2 VAL 49 7.657 7.207 -18.394 641 H ILE 50 H ILE 50 10.852 3.680 -16.903 642 HA ILE 50 HA ILE 50 12.022 4.181 -14.362 643 HB ILE 50 HB ILE 50 12.567 1.825 -16.200 644 1HG1 ILE 50 2HG1 ILE 50 10.587 1.814 -13.944 645 2HG1 ILE 50 1HG1 ILE 50 10.109 2.506 -15.494 646 1HG2 ILE 50 1HG2 ILE 50 12.780 2.129 -13.188 647 2HG2 ILE 50 2HG2 ILE 50 14.138 1.994 -14.307 648 3HG2 ILE 50 3HG2 ILE 50 13.038 0.633 -14.085 649 1HD1 ILE 50 1HD1 ILE 50 11.441 -0.186 -15.416 650 2HD1 ILE 50 2HD1 ILE 50 10.334 0.470 -16.622 651 3HD1 ILE 50 3HD1 ILE 50 9.721 -0.052 -15.053 652 H CYS 51 H CYS 51 13.377 4.354 -17.572 653 HA CYS 51 HA CYS 51 16.147 4.282 -16.752 654 1HB CYS 51 2HB CYS 51 15.173 3.841 -19.110 655 2HB CYS 51 1HB CYS 51 15.113 5.597 -19.263 656 HG CYS 51 HG CYS 51 17.607 5.695 -19.412 657 H LYS 52 H LYS 52 13.857 6.881 -17.594 658 HA LYS 52 HA LYS 52 15.593 9.092 -17.275 659 1HB LYS 52 2HB LYS 52 12.670 9.009 -16.483 660 2HB LYS 52 1HB LYS 52 13.606 10.445 -16.877 661 1HG LYS 52 2HG LYS 52 13.584 10.004 -19.142 662 2HG LYS 52 1HG LYS 52 13.466 8.259 -18.913 663 1HD LYS 52 2HD LYS 52 11.278 8.614 -19.491 664 2HD LYS 52 1HD LYS 52 11.123 9.031 -17.785 665 1HE LYS 52 2HE LYS 52 10.131 10.848 -18.956 666 2HE LYS 52 1HE LYS 52 11.726 11.425 -18.475 667 1HZ LYS 52 1HZ LYS 52 11.482 11.990 -20.727 668 2HZ LYS 52 2HZ LYS 52 10.862 10.463 -21.139 669 3HZ LYS 52 3HZ LYS 52 12.499 10.633 -20.720 670 H TYR 53 H TYR 53 13.993 7.099 -14.877 671 HA TYR 53 HA TYR 53 14.910 8.892 -12.696 672 1HB TYR 53 2HB TYR 53 13.048 6.497 -12.696 673 2HB TYR 53 1HB TYR 53 13.449 7.459 -11.286 674 HD1 TYR 53 HD1 TYR 53 12.273 8.064 -14.811 675 HD2 TYR 53 HD2 TYR 53 11.887 9.073 -10.664 676 HE1 TYR 53 HE1 TYR 53 10.438 9.605 -15.377 677 HE2 TYR 53 HE2 TYR 53 10.038 10.628 -11.230 678 HH TYR 53 HH TYR 53 8.259 10.619 -13.513 679 H VAL 54 H VAL 54 15.626 5.840 -14.229 680 HA VAL 54 HA VAL 54 17.854 5.412 -12.337 681 HB VAL 54 HB VAL 54 16.080 3.026 -12.855 682 1HG1 VAL 54 1HG1 VAL 54 17.215 2.103 -11.021 683 2HG1 VAL 54 2HG1 VAL 54 17.640 3.684 -10.365 684 3HG1 VAL 54 3HG1 VAL 54 18.467 3.072 -11.798 685 1HG2 VAL 54 1HG2 VAL 54 15.724 4.943 -10.523 686 2HG2 VAL 54 2HG2 VAL 54 14.852 3.432 -10.777 687 3HG2 VAL 54 3HG2 VAL 54 14.598 4.791 -11.872 688 H GLN 55 H GLN 55 17.860 2.485 -13.630 689 HA GLN 55 HA GLN 55 18.238 2.987 -16.450 690 1HB GLN 55 2HB GLN 55 20.459 3.476 -14.652 691 2HB GLN 55 1HB GLN 55 20.845 2.167 -15.767 692 1HG GLN 55 2HG GLN 55 20.249 3.577 -17.676 693 2HG GLN 55 1HG GLN 55 19.770 4.881 -16.590 694 1HE2 GLN 55 1HE2 GLN 55 22.167 4.341 -18.630 695 2HE2 GLN 55 2HE2 GLN 55 23.503 4.925 -17.761 696 H ILE 56 H ILE 56 17.437 1.110 -17.165 697 HA ILE 56 HA ILE 56 18.586 -1.435 -16.133 698 HB ILE 56 HB ILE 56 16.177 -2.379 -16.384 699 1HG1 ILE 56 2HG1 ILE 56 15.203 0.269 -15.472 700 2HG1 ILE 56 1HG1 ILE 56 15.584 0.156 -17.190 701 1HG2 ILE 56 1HG2 ILE 56 16.209 -0.644 -13.998 702 2HG2 ILE 56 2HG2 ILE 56 17.674 -1.594 -14.243 703 3HG2 ILE 56 3HG2 ILE 56 16.111 -2.400 -14.120 704 1HD1 ILE 56 1HD1 ILE 56 13.699 -1.634 -15.626 705 2HD1 ILE 56 2HD1 ILE 56 14.171 -1.919 -17.301 706 3HD1 ILE 56 3HD1 ILE 56 13.256 -0.472 -16.876 707 H ASP 57 H ASP 57 18.034 -3.260 -17.648 708 HA ASP 57 HA ASP 57 18.096 -2.261 -20.453 709 1HB ASP 57 2HB ASP 57 18.754 -5.028 -19.390 710 2HB ASP 57 1HB ASP 57 19.077 -4.423 -21.013 711 HA PRO 58 HA PRO 58 14.075 -3.965 -21.219 712 1HB PRO 58 2HB PRO 58 14.305 -4.848 -23.799 713 2HB PRO 58 1HB PRO 58 14.186 -3.136 -23.362 714 1HG PRO 58 2HG PRO 58 16.561 -4.710 -24.205 715 2HG PRO 58 1HG PRO 58 16.181 -3.002 -24.477 716 1HD PRO 58 2HD PRO 58 17.966 -3.953 -22.561 717 2HD PRO 58 1HD PRO 58 17.201 -2.350 -22.530 718 H GLU 59 H GLU 59 16.865 -5.997 -21.880 719 HA GLU 59 HA GLU 59 15.441 -8.502 -22.033 720 1HB GLU 59 2HB GLU 59 18.306 -7.861 -21.270 721 2HB GLU 59 1HB GLU 59 17.689 -9.494 -21.517 722 1HG GLU 59 2HG GLU 59 16.879 -8.587 -23.823 723 2HG GLU 59 1HG GLU 59 18.039 -7.289 -23.536 724 H MET 60 H MET 60 16.098 -6.340 -19.429 725 HA MET 60 HA MET 60 15.994 -8.445 -17.368 726 1HB MET 60 2HB MET 60 16.379 -5.450 -17.347 727 2HB MET 60 1HB MET 60 15.998 -6.319 -15.864 728 1HG MET 60 2HG MET 60 17.983 -7.582 -15.939 729 2HG MET 60 1HG MET 60 18.227 -7.258 -17.656 730 1HE MET 60 1HE MET 60 17.567 -4.633 -14.480 731 2HE MET 60 2HE MET 60 19.242 -4.868 -13.989 732 3HE MET 60 3HE MET 60 18.186 -6.265 -14.188 733 H VAL 61 H VAL 61 13.881 -6.179 -18.983 734 HA VAL 61 HA VAL 61 11.751 -6.612 -16.965 735 HB VAL 61 HB VAL 61 11.715 -4.876 -19.450 736 1HG1 VAL 61 1HG1 VAL 61 9.520 -5.632 -18.368 737 2HG1 VAL 61 2HG1 VAL 61 9.752 -3.891 -18.520 738 3HG1 VAL 61 3HG1 VAL 61 10.005 -4.681 -16.964 739 1HG2 VAL 61 1HG2 VAL 61 12.809 -4.470 -16.714 740 2HG2 VAL 61 2HG2 VAL 61 11.858 -3.140 -17.374 741 3HG2 VAL 61 3HG2 VAL 61 13.283 -3.719 -18.238 742 H THR 62 H THR 62 10.399 -8.318 -17.296 743 HA THR 62 HA THR 62 10.255 -9.567 -19.950 744 HB THR 62 HB THR 62 8.702 -10.483 -17.538 745 HG1 THR 62 HG1 THR 62 11.457 -10.847 -18.107 746 1HG2 THR 62 1HG2 THR 62 9.549 -12.706 -18.676 747 2HG2 THR 62 2HG2 THR 62 9.777 -11.660 -20.077 748 3HG2 THR 62 3HG2 THR 62 8.178 -11.831 -19.355 749 H VAL 63 H VAL 63 8.129 -10.111 -20.888 750 HA VAL 63 HA VAL 63 5.883 -8.369 -20.026 751 HB VAL 63 HB VAL 63 6.860 -8.538 -22.889 752 1HG1 VAL 63 1HG1 VAL 63 5.070 -7.191 -23.454 753 2HG1 VAL 63 2HG1 VAL 63 4.993 -6.445 -21.857 754 3HG1 VAL 63 3HG1 VAL 63 4.345 -8.067 -22.105 755 1HG2 VAL 63 1HG2 VAL 63 7.190 -6.393 -20.777 756 2HG2 VAL 63 2HG2 VAL 63 7.437 -6.102 -22.498 757 3HG2 VAL 63 3HG2 VAL 63 8.468 -7.248 -21.641 758 H GLN 64 H GLN 64 3.990 -9.513 -20.096 759 HA GLN 64 HA GLN 64 3.732 -11.774 -21.986 760 1HB GLN 64 2HB GLN 64 2.943 -13.258 -20.110 761 2HB GLN 64 1HB GLN 64 4.656 -12.849 -20.021 762 1HG GLN 64 2HG GLN 64 2.919 -10.912 -18.640 763 2HG GLN 64 1HG GLN 64 2.841 -12.534 -17.958 764 1HE2 GLN 64 1HE2 GLN 64 4.669 -13.293 -16.786 765 2HE2 GLN 64 2HE2 GLN 64 6.077 -12.374 -16.555 766 H LEU 65 H LEU 65 1.653 -11.938 -22.761 767 HA LEU 65 HA LEU 65 -0.370 -10.172 -21.498 768 1HB LEU 65 2HB LEU 65 -1.513 -10.342 -23.709 769 2HB LEU 65 1HB LEU 65 0.081 -9.605 -23.806 770 HG LEU 65 HG LEU 65 0.014 -12.555 -24.099 771 1HD1 LEU 65 1HD1 LEU 65 -0.609 -12.242 -26.562 772 2HD1 LEU 65 2HD1 LEU 65 -1.249 -10.666 -26.096 773 3HD1 LEU 65 3HD1 LEU 65 -1.938 -12.135 -25.407 774 1HD2 LEU 65 1HD2 LEU 65 1.880 -12.161 -25.416 775 2HD2 LEU 65 2HD2 LEU 65 1.926 -10.722 -24.398 776 3HD2 LEU 65 3HD2 LEU 65 1.255 -10.630 -26.027 777 H GLU 66 H GLU 66 -2.520 -10.945 -21.245 778 HA GLU 66 HA GLU 66 -3.002 -13.843 -21.590 779 1HB GLU 66 2HB GLU 66 -3.018 -12.376 -18.949 780 2HB GLU 66 1HB GLU 66 -3.949 -13.850 -19.184 781 1HG GLU 66 2HG GLU 66 -0.956 -13.547 -19.553 782 2HG GLU 66 1HG GLU 66 -1.748 -14.339 -18.194 783 H GLN 67 H GLN 67 -5.418 -14.251 -20.849 784 HA GLN 67 HA GLN 67 -7.120 -11.862 -21.291 785 1HB GLN 67 2HB GLN 67 -6.826 -14.174 -23.173 786 2HB GLN 67 1HB GLN 67 -8.433 -13.484 -22.952 787 1HG GLN 67 2HG GLN 67 -7.771 -11.371 -23.758 788 2HG GLN 67 1HG GLN 67 -6.059 -11.711 -23.504 789 1HE2 GLN 67 1HE2 GLN 67 -5.093 -13.445 -24.964 790 2HE2 GLN 67 2HE2 GLN 67 -5.732 -13.628 -26.526 791 H LYS 68 H LYS 68 -9.354 -12.250 -20.656 792 HA LYS 68 HA LYS 68 -9.616 -14.580 -18.805 793 1HB LYS 68 2HB LYS 68 -10.749 -11.804 -18.782 794 2HB LYS 68 1HB LYS 68 -11.585 -13.095 -17.929 795 1HG LYS 68 2HG LYS 68 -10.036 -13.162 -16.277 796 2HG LYS 68 1HG LYS 68 -8.693 -13.064 -17.415 797 1HD LYS 68 2HD LYS 68 -8.707 -11.074 -15.993 798 2HD LYS 68 1HD LYS 68 -9.106 -10.618 -17.648 799 1HE LYS 68 2HE LYS 68 -10.715 -9.481 -16.340 800 2HE LYS 68 1HE LYS 68 -11.573 -10.905 -16.925 801 1HZ LYS 68 1HZ LYS 68 -11.838 -10.458 -14.509 802 2HZ LYS 68 2HZ LYS 68 -10.182 -10.785 -14.308 803 3HZ LYS 68 3HZ LYS 68 -11.230 -12.002 -14.864 804 H ASP 69 H ASP 69 -12.090 -15.165 -18.542 805 HA ASP 69 HA ASP 69 -13.027 -15.956 -21.178 806 1HB ASP 69 2HB ASP 69 -13.843 -16.508 -18.354 807 2HB ASP 69 1HB ASP 69 -14.999 -16.829 -19.647 808 H GLY 70 H GLY 70 -13.477 -13.161 -19.302 809 1HA GLY 70 2HA GLY 70 -16.228 -12.696 -20.315 810 2HA GLY 70 1HA GLY 70 -15.396 -11.708 -19.115 811 H ASP 71 H ASP 71 -13.891 -12.731 -22.121 812 HA ASP 71 HA ASP 71 -13.055 -11.492 -23.923 813 1HB ASP 71 2HB ASP 71 -15.602 -10.022 -23.258 814 2HB ASP 71 1HB ASP 71 -14.523 -9.422 -24.516 815 H ILE 72 H ILE 72 -11.688 -11.092 -21.627 816 HA ILE 72 HA ILE 72 -11.104 -8.163 -21.677 817 HB ILE 72 HB ILE 72 -10.817 -9.942 -19.250 818 1HG1 ILE 72 2HG1 ILE 72 -13.125 -8.185 -20.131 819 2HG1 ILE 72 1HG1 ILE 72 -13.174 -9.905 -19.778 820 1HG2 ILE 72 1HG2 ILE 72 -10.804 -6.945 -19.679 821 2HG2 ILE 72 2HG2 ILE 72 -9.422 -7.948 -19.243 822 3HG2 ILE 72 3HG2 ILE 72 -10.743 -7.726 -18.100 823 1HD1 ILE 72 1HD1 ILE 72 -13.542 -7.700 -17.965 824 2HD1 ILE 72 2HD1 ILE 72 -12.140 -8.640 -17.456 825 3HD1 ILE 72 3HD1 ILE 72 -13.706 -9.426 -17.645 826 H SER 73 H SER 73 -8.814 -7.676 -21.106 827 HA SER 73 HA SER 73 -7.001 -9.937 -21.871 828 1HB SER 73 2HB SER 73 -6.940 -6.996 -22.531 829 2HB SER 73 1HB SER 73 -5.466 -7.958 -22.578 830 HG SER 73 HG SER 73 -7.657 -7.958 -24.251 831 H ILE 74 H ILE 74 -4.763 -9.673 -20.971 832 HA ILE 74 HA ILE 74 -4.576 -8.122 -18.461 833 HB ILE 74 HB ILE 74 -4.403 -11.145 -18.619 834 1HG1 ILE 74 2HG1 ILE 74 -6.214 -9.261 -17.084 835 2HG1 ILE 74 1HG1 ILE 74 -6.679 -10.293 -18.427 836 1HG2 ILE 74 1HG2 ILE 74 -3.763 -11.100 -16.250 837 2HG2 ILE 74 2HG2 ILE 74 -3.794 -9.336 -16.257 838 3HG2 ILE 74 3HG2 ILE 74 -2.584 -10.201 -17.205 839 1HD1 ILE 74 1HD1 ILE 74 -7.036 -12.021 -17.037 840 2HD1 ILE 74 2HD1 ILE 74 -6.685 -10.959 -15.673 841 3HD1 ILE 74 3HD1 ILE 74 -5.391 -11.902 -16.413 842 H LEU 75 H LEU 75 -2.857 -6.990 -19.524 843 HA LEU 75 HA LEU 75 -0.567 -8.550 -20.501 844 1HB LEU 75 2HB LEU 75 -1.476 -6.505 -21.705 845 2HB LEU 75 1HB LEU 75 -0.802 -5.547 -20.392 846 HG LEU 75 HG LEU 75 1.064 -7.530 -21.537 847 1HD1 LEU 75 1HD1 LEU 75 -0.446 -6.320 -23.429 848 2HD1 LEU 75 2HD1 LEU 75 1.257 -6.711 -23.667 849 3HD1 LEU 75 3HD1 LEU 75 0.785 -5.079 -23.194 850 1HD2 LEU 75 1HD2 LEU 75 2.631 -5.709 -21.259 851 2HD2 LEU 75 2HD2 LEU 75 1.596 -5.744 -19.832 852 3HD2 LEU 75 3HD2 LEU 75 1.320 -4.541 -21.092 853 H GLU 76 H GLU 76 0.697 -9.303 -18.899 854 HA GLU 76 HA GLU 76 1.326 -7.520 -16.597 855 1HB GLU 76 2HB GLU 76 1.984 -10.464 -16.916 856 2HB GLU 76 1HB GLU 76 2.040 -9.514 -15.433 857 1HG GLU 76 2HG GLU 76 -0.309 -9.400 -15.273 858 2HG GLU 76 1HG GLU 76 -0.538 -9.802 -16.974 859 H LEU 77 H LEU 77 3.507 -6.986 -16.155 860 HA LEU 77 HA LEU 77 5.546 -8.006 -18.067 861 1HB LEU 77 2HB LEU 77 6.478 -5.658 -18.220 862 2HB LEU 77 1HB LEU 77 4.936 -5.892 -19.039 863 HG LEU 77 HG LEU 77 4.933 -4.980 -16.183 864 1HD1 LEU 77 1HD1 LEU 77 5.105 -3.018 -18.462 865 2HD1 LEU 77 2HD1 LEU 77 6.564 -3.590 -17.651 866 3HD1 LEU 77 3HD1 LEU 77 5.327 -2.726 -16.737 867 1HD2 LEU 77 1HD2 LEU 77 3.158 -4.849 -18.601 868 2HD2 LEU 77 2HD2 LEU 77 2.984 -3.621 -17.347 869 3HD2 LEU 77 3HD2 LEU 77 2.756 -5.325 -16.952 870 H ASN 78 H ASN 78 7.378 -8.593 -17.019 871 HA ASN 78 HA ASN 78 7.586 -8.040 -14.132 872 1HB ASN 78 2HB ASN 78 9.494 -9.620 -15.861 873 2HB ASN 78 1HB ASN 78 9.276 -9.726 -14.125 874 1HD2 ASN 78 1HD2 ASN 78 6.251 -9.652 -14.378 875 2HD2 ASN 78 2HD2 ASN 78 5.821 -11.190 -14.949 876 H VAL 79 H VAL 79 9.268 -6.810 -13.234 877 HA VAL 79 HA VAL 79 11.060 -5.443 -15.202 878 HB VAL 79 HB VAL 79 9.965 -4.216 -12.660 879 1HG1 VAL 79 1HG1 VAL 79 12.166 -3.426 -13.717 880 2HG1 VAL 79 2HG1 VAL 79 10.928 -2.195 -13.471 881 3HG1 VAL 79 3HG1 VAL 79 11.188 -2.876 -15.077 882 1HG2 VAL 79 1HG2 VAL 79 8.371 -3.032 -14.028 883 2HG2 VAL 79 2HG2 VAL 79 8.209 -4.743 -14.426 884 3HG2 VAL 79 3HG2 VAL 79 9.087 -3.664 -15.510 885 H THR 80 H THR 80 12.726 -6.980 -14.756 886 HA THR 80 HA THR 80 13.644 -7.493 -12.052 887 HB THR 80 HB THR 80 15.079 -7.923 -14.691 888 HG1 THR 80 HG1 THR 80 14.036 -9.777 -14.797 889 1HG2 THR 80 1HG2 THR 80 16.773 -8.239 -13.165 890 2HG2 THR 80 2HG2 THR 80 16.031 -9.837 -13.080 891 3HG2 THR 80 3HG2 THR 80 15.661 -8.627 -11.853 892 H LEU 81 H LEU 81 14.163 -5.517 -11.052 893 HA LEU 81 HA LEU 81 15.973 -3.623 -12.377 894 1HB LEU 81 2HB LEU 81 14.646 -3.766 -9.662 895 2HB LEU 81 1HB LEU 81 15.872 -2.555 -10.022 896 HG LEU 81 HG LEU 81 13.700 -2.866 -12.026 897 1HD1 LEU 81 1HD1 LEU 81 12.373 -2.979 -10.007 898 2HD1 LEU 81 2HD1 LEU 81 12.232 -1.344 -10.654 899 3HD1 LEU 81 3HD1 LEU 81 13.288 -1.659 -9.276 900 1HD2 LEU 81 1HD2 LEU 81 14.160 -0.621 -12.445 901 2HD2 LEU 81 2HD2 LEU 81 15.730 -1.175 -11.860 902 3HD2 LEU 81 3HD2 LEU 81 14.642 -0.304 -10.778 903 HA PRO 82 HA PRO 82 19.580 -5.712 -10.752 904 1HB PRO 82 2HB PRO 82 21.426 -3.787 -11.339 905 2HB PRO 82 1HB PRO 82 20.710 -4.860 -12.550 906 1HG PRO 82 2HG PRO 82 20.226 -1.993 -12.069 907 2HG PRO 82 1HG PRO 82 20.007 -2.944 -13.544 908 1HD PRO 82 2HD PRO 82 17.976 -2.096 -11.748 909 2HD PRO 82 1HD PRO 82 17.798 -3.219 -13.110 910 H GLU 83 H GLU 83 21.734 -4.702 -9.480 911 HA GLU 83 HA GLU 83 20.913 -4.279 -6.821 912 1HB GLU 83 2HB GLU 83 23.453 -4.014 -8.330 913 2HB GLU 83 1HB GLU 83 23.378 -3.153 -6.793 914 1HG GLU 83 2HG GLU 83 23.185 -5.094 -5.554 915 2HG GLU 83 1HG GLU 83 22.390 -5.973 -6.861 916 H ALA 84 H ALA 84 21.586 -2.259 -5.509 917 HA ALA 84 HA ALA 84 21.625 0.331 -6.706 918 1HB ALA 84 1HB ALA 84 19.243 -0.458 -7.239 919 2HB ALA 84 2HB ALA 84 19.380 1.087 -6.400 920 3HB ALA 84 3HB ALA 84 18.938 -0.366 -5.504 921 H GLU 85 H GLU 85 20.313 1.797 -4.693 922 HA GLU 85 HA GLU 85 22.206 1.744 -2.575 923 1HB GLU 85 2HB GLU 85 20.445 3.573 -3.332 924 2HB GLU 85 1HB GLU 85 19.444 2.803 -2.101 925 1HG GLU 85 2HG GLU 85 21.525 3.025 -0.568 926 2HG GLU 85 1HG GLU 85 22.100 4.189 -1.762 927 H GLU 86 H GLU 86 22.351 0.415 -0.831 928 HA GLU 86 HA GLU 86 20.295 -1.604 -0.380 929 1HB GLU 86 2HB GLU 86 22.919 -1.818 -0.200 930 2HB GLU 86 1HB GLU 86 22.647 -1.228 1.440 931 1HG GLU 86 2HG GLU 86 22.518 -3.581 1.648 932 2HG GLU 86 1HG GLU 86 20.833 -3.061 1.596 933 H LEU 87 H LEU 87 18.957 0.608 0.112 934 HA LEU 87 HA LEU 87 18.967 0.909 3.090 935 1HB LEU 87 2HB LEU 87 19.548 2.941 1.468 936 2HB LEU 87 1HB LEU 87 17.791 3.029 1.337 937 HG LEU 87 HG LEU 87 17.849 2.858 3.950 938 1HD1 LEU 87 1HD1 LEU 87 20.687 3.389 3.190 939 2HD1 LEU 87 2HD1 LEU 87 20.043 2.495 4.566 940 3HD1 LEU 87 3HD1 LEU 87 20.040 4.259 4.581 941 1HD2 LEU 87 1HD2 LEU 87 18.925 5.463 2.926 942 2HD2 LEU 87 2HD2 LEU 87 17.581 5.166 4.029 943 3HD2 LEU 87 3HD2 LEU 87 17.383 4.880 2.300 944 H LYS 88 HN LYS 88 17.426 -0.809 3.305 945 HA LYS 88 HA LYS 88 14.825 -0.520 1.927 946 1HB LYS 88 2HB LYS 88 16.132 -2.748 2.436 947 2HB LYS 88 1HB LYS 88 15.392 -2.589 4.030 948 1HG LYS 88 2HG LYS 88 13.172 -2.241 2.753 949 2HG LYS 88 1HG LYS 88 14.029 -2.892 1.356 950 1HD LYS 88 2HD LYS 88 14.457 -4.968 2.472 951 2HD LYS 88 1HD LYS 88 13.932 -4.316 4.025 952 1HE LYS 88 2HE LYS 88 11.990 -5.402 3.436 953 2HE LYS 88 1HE LYS 88 11.691 -3.863 2.626 954 1HZ LYS 88 1HZ LYS 88 12.647 -4.798 0.603 955 2HZ LYS 88 2HZ LYS 88 11.307 -5.700 1.128 956 3HZ LYS 88 3HZ LYS 88 12.881 -6.283 1.386 Start of MODEL 10 1 1H ARG 31 1H ARG 31 3.550 0.610 3.072 2 2H ARG 31 2H ARG 31 5.150 1.016 3.473 3 3H ARG 31 3H ARG 31 4.749 -0.590 3.088 4 HA ARG 31 HA ARG 31 4.213 0.060 0.822 5 1HB ARG 31 2HB ARG 31 3.805 2.524 1.808 6 2HB ARG 31 1HB ARG 31 5.471 2.727 1.267 7 1HG ARG 31 2HG ARG 31 4.919 2.546 -0.946 8 2HG ARG 31 1HG ARG 31 3.646 1.364 -0.638 9 1HD ARG 31 2HD ARG 31 2.549 3.372 -1.360 10 2HD ARG 31 1HD ARG 31 2.290 3.257 0.381 11 HE ARG 31 HE ARG 31 4.667 4.785 -0.194 12 1HH1 ARG 31 1HH2 ARG 31 1.174 4.959 -0.191 13 2HH1 ARG 31 2HH2 ARG 31 1.159 6.672 0.043 14 1HH2 ARG 31 1HH1 ARG 31 4.601 7.001 0.110 15 2HH2 ARG 31 2HH1 ARG 31 3.076 7.818 0.212 16 H SER 32 H SER 32 5.924 -1.569 0.934 17 HA SER 32 HA SER 32 8.655 -0.996 1.464 18 1HB SER 32 2HB SER 32 7.766 -3.031 -0.567 19 2HB SER 32 1HB SER 32 9.137 -3.108 0.535 20 HG SER 32 HG SER 32 7.805 -4.125 1.798 21 H ASP 33 H ASP 33 6.686 -0.250 -1.307 22 HA ASP 33 HA ASP 33 8.984 0.137 -3.071 23 1HB ASP 33 2HB ASP 33 7.265 0.975 -4.681 24 2HB ASP 33 1HB ASP 33 6.932 -0.650 -4.084 25 H ALA 34 H ALA 34 8.188 1.867 -0.498 26 HA ALA 34 HA ALA 34 8.142 4.524 -1.744 27 1HB ALA 34 1HB ALA 34 7.717 3.433 0.999 28 2HB ALA 34 2HB ALA 34 6.758 4.609 0.102 29 3HB ALA 34 3HB ALA 34 8.274 5.100 0.858 30 H GLU 35 H GLU 35 10.444 2.276 -0.556 31 HA GLU 35 HA GLU 35 12.432 3.956 0.538 32 1HB GLU 35 2HB GLU 35 12.916 1.460 -1.106 33 2HB GLU 35 1HB GLU 35 13.993 2.160 0.096 34 1HG GLU 35 2HG GLU 35 11.282 1.639 1.121 35 2HG GLU 35 1HG GLU 35 12.127 0.185 0.596 36 HA PRO 36 HA PRO 36 14.196 4.608 -3.870 37 1HB PRO 36 2HB PRO 36 12.715 3.819 -6.023 38 2HB PRO 36 1HB PRO 36 13.847 2.754 -5.179 39 1HG PRO 36 2HG PRO 36 10.913 2.710 -5.207 40 2HG PRO 36 1HG PRO 36 12.056 1.424 -4.795 41 1HD PRO 36 2HD PRO 36 10.554 3.082 -2.997 42 2HD PRO 36 1HD PRO 36 11.720 1.817 -2.587 43 H HIS 37 H HIS 37 10.634 4.862 -3.957 44 HA HIS 37 HA HIS 37 9.254 6.728 -4.221 45 1HB HIS 37 2HB HIS 37 11.312 7.878 -3.003 46 2HB HIS 37 1HB HIS 37 11.566 8.594 -4.594 47 HD1 HIS 37 HD1 HIS 37 8.995 8.384 -1.828 48 HD2 HIS 37 HD2 HIS 37 9.689 10.561 -5.315 49 HE1 HIS 37 HE1 HIS 37 7.295 10.262 -1.851 50 H TYR 38 H TYR 38 11.286 5.488 -6.517 51 HA TYR 38 HA TYR 38 10.112 7.239 -8.630 52 1HB TYR 38 2HB TYR 38 12.090 6.472 -10.043 53 2HB TYR 38 1HB TYR 38 12.480 7.577 -8.728 54 HD1 TYR 38 HD1 TYR 38 13.846 6.896 -6.884 55 HD2 TYR 38 HD2 TYR 38 12.539 4.019 -9.795 56 HE1 TYR 38 HE1 TYR 38 15.434 5.234 -5.954 57 HE2 TYR 38 HE2 TYR 38 14.127 2.357 -8.863 58 HH TYR 38 HH TYR 38 16.658 3.080 -6.999 59 H LEU 39 H LEU 39 10.969 3.956 -7.636 60 HA LEU 39 HA LEU 39 10.202 2.470 -9.879 61 1HB LEU 39 2HB LEU 39 10.779 1.953 -7.164 62 2HB LEU 39 1HB LEU 39 9.210 1.209 -7.460 63 HG LEU 39 HG LEU 39 10.988 -0.397 -7.961 64 1HD1 LEU 39 1HD1 LEU 39 10.150 0.431 -10.708 65 2HD1 LEU 39 2HD1 LEU 39 8.881 0.045 -9.546 66 3HD1 LEU 39 3HD1 LEU 39 10.101 -1.162 -9.951 67 1HD2 LEU 39 1HD2 LEU 39 12.938 0.656 -8.542 68 2HD2 LEU 39 2HD2 LEU 39 12.104 1.955 -9.395 69 3HD2 LEU 39 3HD2 LEU 39 12.331 0.392 -10.176 70 HA PRO 40 HA PRO 40 5.608 2.590 -8.408 71 1HB PRO 40 2HB PRO 40 4.927 4.390 -6.462 72 2HB PRO 40 1HB PRO 40 5.410 2.719 -6.131 73 1HG PRO 40 2HG PRO 40 6.937 5.232 -5.763 74 2HG PRO 40 1HG PRO 40 7.029 3.710 -4.870 75 1HD PRO 40 2HD PRO 40 8.838 4.563 -6.820 76 2HD PRO 40 1HD PRO 40 8.677 2.898 -6.224 77 H GLN 41 H GLN 41 7.527 5.464 -8.746 78 HA GLN 41 HA GLN 41 5.388 7.217 -9.643 79 1HB GLN 41 2HB GLN 41 7.504 8.124 -8.747 80 2HB GLN 41 1HB GLN 41 8.399 7.344 -10.049 81 1HG GLN 41 2HG GLN 41 8.070 9.678 -10.630 82 2HG GLN 41 1HG GLN 41 7.070 8.689 -11.695 83 1HE2 GLN 41 1HE2 GLN 41 5.335 10.171 -12.040 84 2HE2 GLN 41 2HE2 GLN 41 4.344 10.749 -10.788 85 H LEU 42 H LEU 42 7.687 4.984 -11.109 86 HA LEU 42 HA LEU 42 7.071 5.683 -13.825 87 1HB LEU 42 2HB LEU 42 8.298 3.176 -12.650 88 2HB LEU 42 1HB LEU 42 8.207 3.521 -14.357 89 HG LEU 42 HG LEU 42 10.119 4.700 -14.276 90 1HD1 LEU 42 1HD1 LEU 42 10.434 6.727 -13.039 91 2HD1 LEU 42 2HD1 LEU 42 9.200 6.286 -11.867 92 3HD1 LEU 42 3HD1 LEU 42 8.740 6.689 -13.519 93 1HD2 LEU 42 1HD2 LEU 42 11.284 4.765 -11.913 94 2HD2 LEU 42 2HD2 LEU 42 11.080 3.234 -12.765 95 3HD2 LEU 42 3HD2 LEU 42 9.970 3.676 -11.468 96 H ARG 43 H ARG 43 6.174 2.836 -11.823 97 HA ARG 43 HA ARG 43 4.450 1.575 -13.615 98 1HB ARG 43 2HB ARG 43 3.388 0.532 -11.717 99 2HB ARG 43 1HB ARG 43 5.092 0.712 -11.360 100 1HG ARG 43 2HG ARG 43 4.588 2.766 -10.075 101 2HG ARG 43 1HG ARG 43 2.870 2.508 -10.369 102 1HD ARG 43 2HD ARG 43 3.238 0.167 -9.350 103 2HD ARG 43 1HD ARG 43 4.765 0.811 -8.747 104 HE ARG 43 HE ARG 43 2.481 2.507 -8.105 105 1HH1 ARG 43 1HH2 ARG 43 4.370 -0.267 -7.118 106 2HH1 ARG 43 2HH2 ARG 43 3.920 -0.107 -5.457 107 1HH2 ARG 43 2HH1 ARG 43 1.925 2.674 -5.944 108 2HH2 ARG 43 1HH1 ARG 43 2.550 1.538 -4.797 109 H LYS 44 H LYS 44 3.607 4.263 -11.397 110 HA LYS 44 HA LYS 44 0.872 4.336 -12.198 111 1HB LYS 44 2HB LYS 44 0.822 6.564 -11.170 112 2HB LYS 44 1HB LYS 44 1.682 5.435 -10.134 113 1HG LYS 44 2HG LYS 44 3.805 6.302 -10.815 114 2HG LYS 44 1HG LYS 44 3.082 7.248 -12.111 115 1HD LYS 44 2HD LYS 44 3.537 8.757 -10.287 116 2HD LYS 44 1HD LYS 44 1.792 8.513 -10.351 117 1HE LYS 44 2HE LYS 44 1.994 6.774 -8.585 118 2HE LYS 44 1HE LYS 44 3.725 7.101 -8.489 119 1HZ LYS 44 1HZ LYS 44 2.709 8.368 -6.803 120 2HZ LYS 44 2HZ LYS 44 1.488 8.934 -7.842 121 3HZ LYS 44 3HZ LYS 44 3.089 9.470 -8.035 122 H ASP 45 H ASP 45 3.841 5.612 -13.593 123 HA ASP 45 HA ASP 45 2.617 7.496 -15.364 124 1HB ASP 45 2HB ASP 45 5.215 5.958 -15.629 125 2HB ASP 45 1HB ASP 45 4.721 7.268 -16.683 126 H ILE 46 H ILE 46 3.553 4.043 -15.825 127 HA ILE 46 HA ILE 46 2.668 3.846 -18.521 128 HB ILE 46 HB ILE 46 3.953 2.111 -17.054 129 1HG1 ILE 46 2HG1 ILE 46 3.140 0.313 -18.611 130 2HG1 ILE 46 1HG1 ILE 46 1.886 1.429 -19.145 131 1HG2 ILE 46 1HG2 ILE 46 2.825 0.599 -15.787 132 2HG2 ILE 46 2HG2 ILE 46 1.422 0.601 -16.855 133 3HG2 ILE 46 3HG2 ILE 46 1.627 1.885 -15.668 134 1HD1 ILE 46 1HD1 ILE 46 4.340 2.861 -19.203 135 2HD1 ILE 46 2HD1 ILE 46 3.361 2.342 -20.573 136 3HD1 ILE 46 3HD1 ILE 46 4.635 1.295 -19.954 137 H LEU 47 H LEU 47 0.853 3.758 -15.491 138 HA LEU 47 HA LEU 47 -1.638 2.848 -16.561 139 1HB LEU 47 2HB LEU 47 -0.868 4.543 -14.190 140 2HB LEU 47 1HB LEU 47 -2.561 4.293 -14.598 141 HG LEU 47 HG LEU 47 -0.656 1.971 -14.330 142 1HD1 LEU 47 1HD1 LEU 47 -1.978 1.866 -12.003 143 2HD1 LEU 47 2HD1 LEU 47 -1.963 3.617 -12.212 144 3HD1 LEU 47 3HD1 LEU 47 -0.445 2.722 -12.161 145 1HD2 LEU 47 1HD2 LEU 47 -2.938 0.929 -13.662 146 2HD2 LEU 47 2HD2 LEU 47 -2.676 1.313 -15.363 147 3HD2 LEU 47 3HD2 LEU 47 -3.644 2.389 -14.355 148 H GLU 48 H GLU 48 -0.214 6.072 -16.190 149 HA GLU 48 HA GLU 48 -2.442 7.464 -17.407 150 1HB GLU 48 2HB GLU 48 0.299 8.654 -17.531 151 2HB GLU 48 1HB GLU 48 -1.233 9.424 -17.134 152 1HG GLU 48 2HG GLU 48 -0.930 7.653 -15.043 153 2HG GLU 48 1HG GLU 48 0.728 8.117 -15.376 154 H VAL 49 H VAL 49 0.626 6.123 -18.491 155 HA VAL 49 HA VAL 49 0.619 7.134 -21.154 156 HB VAL 49 HB VAL 49 1.686 4.464 -20.177 157 1HG1 VAL 49 1HG1 VAL 49 3.053 4.462 -22.117 158 2HG1 VAL 49 2HG1 VAL 49 2.707 6.157 -22.462 159 3HG1 VAL 49 3HG1 VAL 49 1.458 4.935 -22.701 160 1HG2 VAL 49 1HG2 VAL 49 3.427 5.558 -19.213 161 2HG2 VAL 49 2HG2 VAL 49 2.401 6.990 -19.274 162 3HG2 VAL 49 3HG2 VAL 49 3.572 6.690 -20.557 163 H ILE 50 H ILE 50 -0.433 3.897 -19.988 164 HA ILE 50 HA ILE 50 -1.695 3.058 -22.387 165 HB ILE 50 HB ILE 50 -2.584 2.451 -19.548 166 1HG1 ILE 50 2HG1 ILE 50 -0.903 0.568 -21.126 167 2HG1 ILE 50 1HG1 ILE 50 -0.095 2.003 -20.496 168 1HG2 ILE 50 1HG2 ILE 50 -3.415 0.342 -20.605 169 2HG2 ILE 50 2HG2 ILE 50 -2.998 1.009 -22.183 170 3HG2 ILE 50 3HG2 ILE 50 -4.245 1.780 -21.202 171 1HD1 ILE 50 1HD1 ILE 50 0.143 0.553 -18.696 172 2HD1 ILE 50 2HD1 ILE 50 -1.399 -0.246 -19.004 173 3HD1 ILE 50 3HD1 ILE 50 -1.369 1.357 -18.270 174 H CYS 51 H CYS 51 -2.681 5.388 -19.983 175 HA CYS 51 HA CYS 51 -5.460 5.501 -20.745 176 1HB CYS 51 2HB CYS 51 -4.315 6.335 -18.554 177 2HB CYS 51 1HB CYS 51 -3.937 7.781 -19.491 178 HG CYS 51 HG CYS 51 -6.527 7.405 -18.213 179 H LYS 52 H LYS 52 -2.588 7.475 -21.513 180 HA LYS 52 HA LYS 52 -3.845 9.383 -23.187 181 1HB LYS 52 2HB LYS 52 -1.066 8.217 -23.504 182 2HB LYS 52 1HB LYS 52 -1.635 9.730 -24.202 183 1HG LYS 52 2HG LYS 52 -1.734 10.802 -22.122 184 2HG LYS 52 1HG LYS 52 -1.793 9.280 -21.233 185 1HD LYS 52 2HD LYS 52 0.432 9.726 -20.897 186 2HD LYS 52 1HD LYS 52 0.587 8.973 -22.485 187 1HE LYS 52 2HE LYS 52 1.794 11.085 -22.500 188 2HE LYS 52 1HE LYS 52 0.368 11.237 -23.526 189 1HZ LYS 52 1HZ LYS 52 0.228 11.979 -20.680 190 2HZ LYS 52 2HZ LYS 52 -0.724 12.523 -21.977 191 3HZ LYS 52 3HZ LYS 52 0.876 13.067 -21.808 192 H TYR 53 H TYR 53 -2.763 6.106 -23.882 193 HA TYR 53 HA TYR 53 -3.522 6.421 -26.731 194 1HB TYR 53 2HB TYR 53 -2.087 4.185 -25.268 195 2HB TYR 53 1HB TYR 53 -2.394 4.231 -26.993 196 HD1 TYR 53 HD1 TYR 53 -0.678 5.009 -28.371 197 HD2 TYR 53 HD2 TYR 53 -0.896 6.421 -24.329 198 HE1 TYR 53 HE1 TYR 53 1.437 6.269 -28.683 199 HE2 TYR 53 HE2 TYR 53 1.201 7.679 -24.636 200 HH TYR 53 HH TYR 53 3.303 7.350 -26.298 201 H VAL 54 H VAL 54 -4.758 5.169 -23.763 202 HA VAL 54 HA VAL 54 -7.046 3.976 -25.192 203 HB VAL 54 HB VAL 54 -5.743 2.254 -23.080 204 1HG1 VAL 54 1HG1 VAL 54 -7.095 0.566 -23.962 205 2HG1 VAL 54 2HG1 VAL 54 -7.205 1.342 -25.542 206 3HG1 VAL 54 3HG1 VAL 54 -8.112 1.991 -24.176 207 1HG2 VAL 54 1HG2 VAL 54 -3.982 2.677 -24.795 208 2HG2 VAL 54 2HG2 VAL 54 -5.100 2.139 -26.049 209 3HG2 VAL 54 3HG2 VAL 54 -4.539 1.003 -24.820 210 H GLN 55 H GLN 55 -7.589 2.640 -22.328 211 HA GLN 55 HA GLN 55 -7.758 4.821 -20.486 212 1HB GLN 55 2HB GLN 55 -9.794 4.733 -22.527 213 2HB GLN 55 1HB GLN 55 -10.529 4.436 -20.953 214 1HG GLN 55 2HG GLN 55 -9.464 6.470 -20.060 215 2HG GLN 55 1HG GLN 55 -8.712 6.769 -21.628 216 1HE2 GLN 55 1HE2 GLN 55 -9.848 8.360 -22.738 217 2HE2 GLN 55 2HE2 GLN 55 -11.536 8.537 -22.736 218 H ILE 56 H ILE 56 -7.402 3.553 -18.765 219 HA ILE 56 HA ILE 56 -9.354 1.389 -18.163 220 HB ILE 56 HB ILE 56 -7.307 0.089 -17.225 221 1HG1 ILE 56 2HG1 ILE 56 -5.704 1.214 -19.443 222 2HG1 ILE 56 1HG1 ILE 56 -5.929 2.310 -18.080 223 1HG2 ILE 56 1HG2 ILE 56 -8.789 -0.209 -19.429 224 2HG2 ILE 56 2HG2 ILE 56 -7.398 -1.241 -19.096 225 3HG2 ILE 56 3HG2 ILE 56 -7.241 0.122 -20.204 226 1HD1 ILE 56 1HD1 ILE 56 -4.937 -0.548 -17.846 227 2HD1 ILE 56 2HD1 ILE 56 -5.078 0.619 -16.531 228 3HD1 ILE 56 3HD1 ILE 56 -3.902 0.879 -17.821 229 H ASP 57 H ASP 57 -9.097 0.718 -15.797 230 HA ASP 57 HA ASP 57 -8.625 3.173 -14.186 231 1HB ASP 57 2HB ASP 57 -10.276 0.692 -13.836 232 2HB ASP 57 1HB ASP 57 -9.755 1.574 -12.401 233 HA PRO 58 HA PRO 58 -5.049 1.430 -12.240 234 1HB PRO 58 2HB PRO 58 -5.301 2.284 -9.654 235 2HB PRO 58 1HB PRO 58 -4.855 3.354 -10.992 236 1HG PRO 58 2HG PRO 58 -7.449 3.090 -9.568 237 2HG PRO 58 1HG PRO 58 -6.708 4.515 -10.312 238 1HD PRO 58 2HD PRO 58 -8.766 3.006 -11.443 239 2HD PRO 58 1HD PRO 58 -7.695 4.105 -12.339 240 H GLU 59 H GLU 59 -8.159 0.794 -10.735 241 HA GLU 59 HA GLU 59 -7.283 -1.383 -9.051 242 1HB GLU 59 2HB GLU 59 -10.020 -0.841 -10.251 243 2HB GLU 59 1HB GLU 59 -9.678 -1.948 -8.919 244 1HG GLU 59 2HG GLU 59 -8.887 -0.103 -7.533 245 2HG GLU 59 1HG GLU 59 -9.094 1.027 -8.872 246 H MET 60 H MET 60 -7.623 -1.058 -12.457 247 HA MET 60 HA MET 60 -8.156 -3.920 -12.922 248 1HB MET 60 2HB MET 60 -7.808 -1.484 -14.664 249 2HB MET 60 1HB MET 60 -7.740 -3.098 -15.364 250 1HG MET 60 2HG MET 60 -10.010 -2.617 -13.519 251 2HG MET 60 1HG MET 60 -10.053 -1.693 -15.019 252 1HE MET 60 1HE MET 60 -9.394 -2.561 -17.119 253 2HE MET 60 2HE MET 60 -11.096 -2.942 -17.363 254 3HE MET 60 3HE MET 60 -9.865 -4.124 -17.800 255 H VAL 61 H VAL 61 -5.461 -1.706 -12.715 256 HA VAL 61 HA VAL 61 -3.630 -3.681 -13.952 257 HB VAL 61 HB VAL 61 -3.037 -0.906 -12.884 258 1HG1 VAL 61 1HG1 VAL 61 -0.953 -1.092 -14.031 259 2HG1 VAL 61 2HG1 VAL 61 -1.469 -2.551 -14.878 260 3HG1 VAL 61 3HG1 VAL 61 -1.143 -2.606 -13.146 261 1HG2 VAL 61 1HG2 VAL 61 -4.368 -0.341 -14.671 262 2HG2 VAL 61 2HG2 VAL 61 -4.138 -1.899 -15.466 263 3HG2 VAL 61 3HG2 VAL 61 -2.884 -0.664 -15.570 264 H THR 62 H THR 62 -2.406 -5.014 -12.685 265 HA THR 62 HA THR 62 -2.491 -4.618 -9.761 266 HB THR 62 HB THR 62 -1.301 -7.012 -11.142 267 HG1 THR 62 HG1 THR 62 -4.036 -6.486 -10.598 268 1HG2 THR 62 1HG2 THR 62 -2.331 -6.287 -8.442 269 2HG2 THR 62 2HG2 THR 62 -0.958 -7.300 -8.889 270 3HG2 THR 62 3HG2 THR 62 -2.597 -7.943 -8.988 271 H VAL 63 H VAL 63 -0.488 -4.919 -8.519 272 HA VAL 63 HA VAL 63 2.028 -4.481 -10.040 273 HB VAL 63 HB VAL 63 1.184 -2.795 -7.668 274 1HG1 VAL 63 1HG1 VAL 63 3.699 -3.383 -8.371 275 2HG1 VAL 63 2HG1 VAL 63 3.250 -1.774 -7.805 276 3HG1 VAL 63 3HG1 VAL 63 3.406 -2.089 -9.533 277 1HG2 VAL 63 1HG2 VAL 63 -0.160 -2.022 -9.447 278 2HG2 VAL 63 2HG2 VAL 63 1.101 -2.320 -10.643 279 3HG2 VAL 63 3HG2 VAL 63 1.256 -0.972 -9.516 280 H GLN 64 H GLN 64 3.577 -5.826 -9.234 281 HA GLN 64 HA GLN 64 3.500 -6.564 -6.366 282 1HB GLN 64 2HB GLN 64 3.794 -8.983 -6.986 283 2HB GLN 64 1HB GLN 64 2.213 -8.333 -7.416 284 1HG GLN 64 2HG GLN 64 4.081 -7.889 -9.587 285 2HG GLN 64 1HG GLN 64 4.074 -9.592 -9.140 286 1HE2 GLN 64 1HE2 GLN 64 1.874 -6.907 -10.055 287 2HE2 GLN 64 2HE2 GLN 64 0.659 -7.913 -10.682 288 H LEU 65 H LEU 65 5.544 -6.435 -5.553 289 HA LEU 65 HA LEU 65 7.803 -6.365 -7.469 290 1HB LEU 65 2HB LEU 65 9.044 -5.387 -5.539 291 2HB LEU 65 1HB LEU 65 7.649 -4.430 -6.016 292 HG LEU 65 HG LEU 65 7.098 -6.525 -3.997 293 1HD1 LEU 65 1HD1 LEU 65 9.120 -5.945 -2.966 294 2HD1 LEU 65 2HD1 LEU 65 7.986 -4.820 -2.219 295 3HD1 LEU 65 3HD1 LEU 65 9.038 -4.275 -3.526 296 1HD2 LEU 65 1HD2 LEU 65 5.488 -5.015 -3.316 297 2HD2 LEU 65 2HD2 LEU 65 5.702 -4.462 -4.978 298 3HD2 LEU 65 3HD2 LEU 65 6.507 -3.616 -3.655 299 H GLU 66 H GLU 66 9.813 -7.469 -6.847 300 HA GLU 66 HA GLU 66 9.572 -9.644 -4.865 301 1HB GLU 66 2HB GLU 66 9.862 -10.076 -7.839 302 2HB GLU 66 1HB GLU 66 10.417 -11.278 -6.677 303 1HG GLU 66 2HG GLU 66 7.608 -10.156 -6.827 304 2HG GLU 66 1HG GLU 66 8.105 -11.716 -7.477 305 H GLN 67 H GLN 67 11.794 -10.998 -5.122 306 HA GLN 67 HA GLN 67 14.058 -9.231 -5.827 307 1HB GLN 67 2HB GLN 67 13.443 -10.168 -3.015 308 2HB GLN 67 1HB GLN 67 15.064 -9.686 -3.514 309 1HG GLN 67 2HG GLN 67 14.364 -7.613 -2.863 310 2HG GLN 67 1HG GLN 67 13.621 -7.583 -4.462 311 1HE2 GLN 67 1HE2 GLN 67 12.558 -6.161 -2.143 312 2HE2 GLN 67 2HE2 GLN 67 11.037 -6.830 -1.796 313 H LYS 68 H LYS 68 16.126 -10.437 -5.776 314 HA LYS 68 HA LYS 68 15.701 -13.393 -5.943 315 1HB LYS 68 2HB LYS 68 17.515 -11.619 -7.590 316 2HB LYS 68 1HB LYS 68 17.560 -13.379 -7.629 317 1HG LYS 68 2HG LYS 68 15.685 -13.518 -8.898 318 2HG LYS 68 1HG LYS 68 14.851 -12.278 -7.962 319 1HD LYS 68 2HD LYS 68 15.183 -11.476 -10.242 320 2HD LYS 68 1HD LYS 68 16.195 -10.537 -9.145 321 1HE LYS 68 2HE LYS 68 17.582 -11.110 -11.013 322 2HE LYS 68 1HE LYS 68 18.078 -12.158 -9.683 323 1HZ LYS 68 1HZ LYS 68 15.998 -13.048 -11.568 324 2HZ LYS 68 2HZ LYS 68 17.051 -13.980 -10.614 325 3HZ LYS 68 3HZ LYS 68 17.635 -13.178 -11.994 326 H ASP 69 H ASP 69 17.806 -14.624 -5.575 327 HA ASP 69 HA ASP 69 18.989 -13.740 -3.088 328 1HB ASP 69 2HB ASP 69 18.526 -16.138 -3.680 329 2HB ASP 69 1HB ASP 69 19.851 -16.050 -4.842 330 H GLY 70 H GLY 70 19.700 -12.903 -6.276 331 1HA GLY 70 2HA GLY 70 22.622 -12.685 -5.789 332 2HA GLY 70 1HA GLY 70 21.819 -12.432 -7.339 333 H ASP 71 H ASP 71 20.682 -11.012 -4.331 334 HA ASP 71 HA ASP 71 20.428 -8.776 -3.684 335 1HB ASP 71 2HB ASP 71 23.069 -8.732 -5.139 336 2HB ASP 71 1HB ASP 71 22.363 -7.244 -4.512 337 H ILE 72 H ILE 72 18.885 -9.572 -5.820 338 HA ILE 72 HA ILE 72 18.882 -7.132 -7.551 339 HB ILE 72 HB ILE 72 17.920 -9.878 -8.381 340 1HG1 ILE 72 2HG1 ILE 72 20.618 -8.534 -8.717 341 2HG1 ILE 72 1HG1 ILE 72 20.284 -10.106 -8.012 342 1HG2 ILE 72 1HG2 ILE 72 18.620 -7.407 -9.991 343 2HG2 ILE 72 2HG2 ILE 72 16.979 -7.858 -9.526 344 3HG2 ILE 72 3HG2 ILE 72 17.908 -8.898 -10.607 345 1HD1 ILE 72 1HD1 ILE 72 21.216 -10.314 -10.301 346 2HD1 ILE 72 2HD1 ILE 72 19.847 -9.395 -10.929 347 3HD1 ILE 72 3HD1 ILE 72 19.586 -10.978 -10.199 348 H SER 73 H SER 73 16.763 -6.367 -8.141 349 HA SER 73 HA SER 73 14.573 -7.384 -6.371 350 1HB SER 73 2HB SER 73 15.182 -4.560 -7.283 351 2HB SER 73 1HB SER 73 13.686 -5.026 -6.478 352 HG SER 73 HG SER 73 14.748 -4.880 -4.682 353 H ILE 74 H ILE 74 12.369 -6.929 -7.309 354 HA ILE 74 HA ILE 74 12.340 -6.764 -10.271 355 HB ILE 74 HB ILE 74 11.184 -9.025 -8.628 356 1HG1 ILE 74 2HG1 ILE 74 13.325 -8.967 -10.771 357 2HG1 ILE 74 1HG1 ILE 74 13.598 -9.202 -9.049 358 1HG2 ILE 74 1HG2 ILE 74 9.628 -8.433 -10.421 359 2HG2 ILE 74 2HG2 ILE 74 10.435 -9.950 -10.818 360 3HG2 ILE 74 3HG2 ILE 74 10.944 -8.451 -11.596 361 1HD1 ILE 74 1HD1 ILE 74 11.660 -11.116 -9.714 362 2HD1 ILE 74 2HD1 ILE 74 13.369 -11.415 -9.407 363 3HD1 ILE 74 3HD1 ILE 74 12.804 -11.150 -11.055 364 H LEU 75 H LEU 75 10.273 -6.128 -11.093 365 HA LEU 75 HA LEU 75 8.158 -5.515 -9.150 366 1HB LEU 75 2HB LEU 75 9.652 -3.491 -9.318 367 2HB LEU 75 1HB LEU 75 9.230 -3.399 -11.025 368 HG LEU 75 HG LEU 75 6.807 -3.677 -9.482 369 1HD1 LEU 75 1HD1 LEU 75 7.488 -2.619 -7.575 370 2HD1 LEU 75 2HD1 LEU 75 7.264 -1.169 -8.554 371 3HD1 LEU 75 3HD1 LEU 75 8.873 -1.865 -8.364 372 1HD2 LEU 75 1HD2 LEU 75 7.554 -2.488 -11.790 373 2HD2 LEU 75 2HD2 LEU 75 7.562 -1.079 -10.729 374 3HD2 LEU 75 3HD2 LEU 75 6.091 -2.032 -10.919 375 H GLU 76 H GLU 76 6.779 -6.947 -10.141 376 HA GLU 76 HA GLU 76 6.330 -6.704 -13.064 377 1HB GLU 76 2HB GLU 76 5.096 -8.670 -11.112 378 2HB GLU 76 1HB GLU 76 5.113 -8.787 -12.869 379 1HG GLU 76 2HG GLU 76 6.955 -10.088 -12.544 380 2HG GLU 76 1HG GLU 76 7.790 -8.549 -12.331 381 H LEU 77 H LEU 77 4.366 -5.966 -13.897 382 HA LEU 77 HA LEU 77 2.246 -5.246 -11.927 383 1HB LEU 77 2HB LEU 77 1.857 -3.139 -13.283 384 2HB LEU 77 1HB LEU 77 3.350 -3.153 -12.349 385 HG LEU 77 HG LEU 77 3.419 -4.158 -15.171 386 1HD1 LEU 77 1HD1 LEU 77 2.440 -2.160 -15.771 387 2HD1 LEU 77 2HD1 LEU 77 4.105 -1.607 -15.588 388 3HD1 LEU 77 3HD1 LEU 77 2.942 -1.350 -14.286 389 1HD2 LEU 77 1HD2 LEU 77 5.273 -3.037 -13.117 390 2HD2 LEU 77 2HD2 LEU 77 5.649 -2.713 -14.810 391 3HD2 LEU 77 3HD2 LEU 77 5.521 -4.376 -14.238 392 H ASN 78 H ASN 78 0.311 -6.054 -12.554 393 HA ASN 78 HA ASN 78 0.064 -7.242 -15.240 394 1HB ASN 78 2HB ASN 78 -2.010 -7.166 -13.045 395 2HB ASN 78 1HB ASN 78 -1.901 -8.292 -14.383 396 1HD2 ASN 78 1HD2 ASN 78 1.089 -8.622 -14.030 397 2HD2 ASN 78 2HD2 ASN 78 1.268 -9.588 -12.648 398 H VAL 79 H VAL 79 -1.356 -6.469 -16.804 399 HA VAL 79 HA VAL 79 -2.860 -3.977 -16.114 400 HB VAL 79 HB VAL 79 -1.594 -4.552 -18.802 401 1HG1 VAL 79 1HG1 VAL 79 -2.623 -1.994 -17.547 402 2HG1 VAL 79 2HG1 VAL 79 -3.540 -2.984 -18.682 403 3HG1 VAL 79 3HG1 VAL 79 -2.051 -2.197 -19.203 404 1HG2 VAL 79 1HG2 VAL 79 -0.553 -2.690 -16.646 405 2HG2 VAL 79 2HG2 VAL 79 0.223 -3.091 -18.178 406 3HG2 VAL 79 3HG2 VAL 79 0.088 -4.312 -16.912 407 H THR 80 H THR 80 -4.845 -5.042 -15.873 408 HA THR 80 HA THR 80 -5.808 -6.835 -18.002 409 HB THR 80 HB THR 80 -7.260 -5.808 -15.546 410 HG1 THR 80 HG1 THR 80 -6.305 -7.352 -14.476 411 1HG2 THR 80 1HG2 THR 80 -7.800 -8.375 -17.015 412 2HG2 THR 80 2HG2 THR 80 -8.498 -6.863 -17.593 413 3HG2 THR 80 3HG2 THR 80 -8.877 -7.445 -15.972 414 H LEU 81 H LEU 81 -6.416 -5.768 -19.843 415 HA LEU 81 HA LEU 81 -7.752 -3.150 -19.679 416 1HB LEU 81 2HB LEU 81 -6.955 -4.902 -22.025 417 2HB LEU 81 1HB LEU 81 -7.669 -3.301 -22.172 418 HG LEU 81 HG LEU 81 -5.292 -3.538 -20.402 419 1HD1 LEU 81 1HD1 LEU 81 -3.707 -3.644 -22.163 420 2HD1 LEU 81 2HD1 LEU 81 -4.938 -3.380 -23.398 421 3HD1 LEU 81 3HD1 LEU 81 -4.867 -4.918 -22.538 422 1HD2 LEU 81 1HD2 LEU 81 -4.915 -1.400 -22.044 423 2HD2 LEU 81 2HD2 LEU 81 -5.860 -1.325 -20.559 424 3HD2 LEU 81 3HD2 LEU 81 -6.672 -1.537 -22.110 425 HA PRO 82 HA PRO 82 -11.750 -5.195 -19.964 426 1HB PRO 82 2HB PRO 82 -13.277 -2.942 -20.161 427 2HB PRO 82 1HB PRO 82 -12.530 -3.479 -18.649 428 1HG PRO 82 2HG PRO 82 -11.830 -1.199 -20.369 429 2HG PRO 82 1HG PRO 82 -11.476 -1.470 -18.658 430 1HD PRO 82 2HD PRO 82 -9.698 -1.810 -20.880 431 2HD PRO 82 1HD PRO 82 -9.377 -2.162 -19.168 432 H GLU 83 H GLU 83 -13.841 -4.821 -21.428 433 HA GLU 83 HA GLU 83 -13.118 -5.343 -24.128 434 1HB GLU 83 2HB GLU 83 -15.584 -5.060 -22.574 435 2HB GLU 83 1HB GLU 83 -15.767 -4.475 -24.226 436 1HG GLU 83 2HG GLU 83 -14.740 -6.638 -25.020 437 2HG GLU 83 1HG GLU 83 -14.819 -7.217 -23.355 438 H ALA 84 H ALA 84 -14.684 -3.843 -25.777 439 HA ALA 84 HA ALA 84 -14.585 -1.026 -25.389 440 1HB ALA 84 1HB ALA 84 -12.410 -1.995 -27.249 441 2HB ALA 84 2HB ALA 84 -12.089 -1.637 -25.552 442 3HB ALA 84 3HB ALA 84 -12.664 -0.363 -26.628 443 H GLU 85 H GLU 85 -16.399 -2.938 -26.424 444 HA GLU 85 HA GLU 85 -16.427 -3.008 -29.289 445 1HB GLU 85 2HB GLU 85 -17.767 -4.463 -27.632 446 2HB GLU 85 1HB GLU 85 -18.895 -3.109 -27.554 447 1HG GLU 85 2HG GLU 85 -19.615 -3.400 -29.720 448 2HG GLU 85 1HG GLU 85 -18.059 -4.027 -30.264 449 H GLU 86 H GLU 86 -15.935 -0.749 -29.805 450 HA GLU 86 HA GLU 86 -18.229 0.794 -30.482 451 1HB GLU 86 2HB GLU 86 -17.789 1.063 -27.825 452 2HB GLU 86 1HB GLU 86 -16.723 2.331 -28.431 453 1HG GLU 86 2HG GLU 86 -18.484 3.514 -29.433 454 2HG GLU 86 1HG GLU 86 -19.541 2.101 -29.462 455 H LEU 87 H LEU 87 -15.777 -0.101 -31.686 456 HA LEU 87 HA LEU 87 -14.111 2.321 -31.979 457 1HB LEU 87 2HB LEU 87 -12.690 0.897 -33.410 458 2HB LEU 87 1HB LEU 87 -12.996 0.128 -31.854 459 HG LEU 87 HG LEU 87 -15.119 -0.757 -33.425 460 1HD1 LEU 87 1HD1 LEU 87 -13.946 -1.679 -35.453 461 2HD1 LEU 87 2HD1 LEU 87 -12.575 -0.640 -35.066 462 3HD1 LEU 87 3HD1 LEU 87 -14.135 0.074 -35.472 463 1HD2 LEU 87 1HD2 LEU 87 -13.825 -2.110 -31.831 464 2HD2 LEU 87 2HD2 LEU 87 -12.432 -2.073 -32.911 465 3HD2 LEU 87 3HD2 LEU 87 -13.899 -2.922 -33.394 466 H LYS 88 HN LYS 88 -13.752 3.302 -34.085 467 HA LYS 88 HA LYS 88 -15.844 2.715 -36.126 468 1HB LYS 88 2HB LYS 88 -15.400 5.251 -34.625 469 2HB LYS 88 1HB LYS 88 -15.741 5.394 -36.350 470 1HG LYS 88 2HG LYS 88 -17.911 5.330 -35.609 471 2HG LYS 88 1HG LYS 88 -17.631 3.590 -35.685 472 1HD LYS 88 2HD LYS 88 -16.769 3.825 -33.255 473 2HD LYS 88 1HD LYS 88 -17.575 5.395 -33.269 474 1HE LYS 88 2HE LYS 88 -18.861 2.697 -33.784 475 2HE LYS 88 1HE LYS 88 -19.117 3.735 -32.381 476 1HZ LYS 88 1HZ LYS 88 -20.911 4.138 -33.817 477 2HZ LYS 88 2HZ LYS 88 -19.914 4.231 -35.190 478 3HZ LYS 88 3HZ LYS 88 -19.879 5.467 -34.025 479 1H ARG 31 1H ARG 31 4.592 -11.664 -33.781 480 2H ARG 31 2H ARG 31 3.090 -11.244 -34.455 481 3H ARG 31 3H ARG 31 3.167 -12.357 -33.173 482 HA ARG 31 HA ARG 31 3.986 -10.631 -31.690 483 1HB ARG 31 2HB ARG 31 4.837 -9.373 -33.904 484 2HB ARG 31 1HB ARG 31 3.294 -8.543 -33.703 485 1HG ARG 31 2HG ARG 31 3.948 -7.502 -31.773 486 2HG ARG 31 1HG ARG 31 4.916 -8.877 -31.239 487 1HD ARG 31 2HD ARG 31 6.462 -7.117 -31.759 488 2HD ARG 31 1HD ARG 31 6.568 -8.284 -33.077 489 HE ARG 31 HE ARG 31 4.616 -6.248 -33.677 490 1HH1 ARG 31 1HH2 ARG 31 8.058 -6.854 -33.537 491 2HH1 ARG 31 2HH2 ARG 31 8.418 -5.657 -34.731 492 1HH2 ARG 31 1HH1 ARG 31 5.129 -4.709 -35.219 493 2HH2 ARG 31 2HH1 ARG 31 6.780 -4.454 -35.674 494 H SER 32 H SER 32 1.965 -11.608 -30.943 495 HA SER 32 HA SER 32 -0.613 -10.893 -31.899 496 1HB SER 32 2HB SER 32 -0.035 -11.478 -29.002 497 2HB SER 32 1HB SER 32 -1.465 -11.895 -29.942 498 HG SER 32 HG SER 32 -0.470 -13.713 -30.271 499 H ASP 33 H ASP 33 1.658 -9.100 -29.964 500 HA ASP 33 HA ASP 33 -0.378 -7.275 -28.931 501 1HB ASP 33 2HB ASP 33 1.588 -6.038 -28.003 502 2HB ASP 33 1HB ASP 33 1.527 -7.730 -27.507 503 H ALA 34 H ALA 34 0.586 -7.602 -31.965 504 HA ALA 34 HA ALA 34 1.281 -4.805 -32.517 505 1HB ALA 34 1HB ALA 34 1.272 -7.360 -34.059 506 2HB ALA 34 2HB ALA 34 2.520 -6.116 -33.959 507 3HB ALA 34 3HB ALA 34 1.093 -5.856 -34.962 508 H GLU 35 H GLU 35 -1.522 -6.772 -32.316 509 HA GLU 35 HA GLU 35 -3.181 -5.680 -34.325 510 1HB GLU 35 2HB GLU 35 -4.066 -6.562 -31.565 511 2HB GLU 35 1HB GLU 35 -5.052 -6.493 -33.021 512 1HG GLU 35 2HG GLU 35 -2.591 -8.076 -33.353 513 2HG GLU 35 1HG GLU 35 -3.687 -8.725 -32.135 514 HA PRO 36 HA PRO 36 -4.455 -2.209 -31.275 515 1HB PRO 36 2HB PRO 36 -3.027 -1.875 -28.972 516 2HB PRO 36 1HB PRO 36 -4.416 -2.963 -29.107 517 1HG PRO 36 2HG PRO 36 -1.563 -3.602 -28.852 518 2HG PRO 36 1HG PRO 36 -2.978 -4.606 -28.510 519 1HD PRO 36 2HD PRO 36 -1.289 -4.686 -30.828 520 2HD PRO 36 1HD PRO 36 -2.722 -5.668 -30.498 521 H HIS 37 H HIS 37 -0.922 -2.713 -31.105 522 HA HIS 37 HA HIS 37 0.837 -1.393 -31.892 523 1HB HIS 37 2HB HIS 37 -1.010 -0.775 -33.693 524 2HB HIS 37 1HB HIS 37 -0.995 0.773 -32.847 525 HD1 HIS 37 HD1 HIS 37 1.274 -1.559 -34.776 526 HD2 HIS 37 HD2 HIS 37 1.301 2.336 -33.291 527 HE1 HIS 37 HE1 HIS 37 3.330 -0.440 -35.741 528 H TYR 38 H TYR 38 -1.246 -0.584 -29.454 529 HA TYR 38 HA TYR 38 0.416 1.776 -28.697 530 1HB TYR 38 2HB TYR 38 -1.576 2.427 -27.244 531 2HB TYR 38 1HB TYR 38 -1.813 2.600 -28.981 532 HD1 TYR 38 HD1 TYR 38 -3.418 1.274 -30.164 533 HD2 TYR 38 HD2 TYR 38 -2.551 0.460 -26.036 534 HE1 TYR 38 HE1 TYR 38 -5.382 -0.234 -30.049 535 HE2 TYR 38 HE2 TYR 38 -4.516 -1.050 -25.922 536 HH TYR 38 HH TYR 38 -6.959 -1.043 -28.029 537 H LEU 39 H LEU 39 -1.185 -1.190 -27.629 538 HA LEU 39 HA LEU 39 -0.595 -1.196 -24.895 539 1HB LEU 39 2HB LEU 39 -1.457 -3.073 -26.821 540 2HB LEU 39 1HB LEU 39 -0.063 -3.811 -26.036 541 HG LEU 39 HG LEU 39 -2.104 -4.396 -24.813 542 1HD1 LEU 39 1HD1 LEU 39 -0.919 -2.313 -23.026 543 2HD1 LEU 39 2HD1 LEU 39 0.155 -3.566 -23.647 544 3HD1 LEU 39 3HD1 LEU 39 -1.262 -4.013 -22.696 545 1HD2 LEU 39 1HD2 LEU 39 -3.739 -2.819 -25.100 546 2HD2 LEU 39 2HD2 LEU 39 -2.592 -1.481 -25.116 547 3HD2 LEU 39 3HD2 LEU 39 -3.090 -2.195 -23.583 548 HA PRO 40 HA PRO 40 3.806 -2.941 -25.830 549 1HB PRO 40 2HB PRO 40 4.716 -2.821 -28.408 550 2HB PRO 40 1HB PRO 40 3.867 -4.218 -27.729 551 1HG PRO 40 2HG PRO 40 2.887 -2.147 -29.608 552 2HG PRO 40 1HG PRO 40 2.411 -3.842 -29.441 553 1HD PRO 40 2HD PRO 40 0.965 -1.647 -28.495 554 2HD PRO 40 1HD PRO 40 0.726 -3.332 -27.987 555 H GLN 41 H GLN 41 2.567 -0.090 -27.380 556 HA GLN 41 HA GLN 41 5.087 1.353 -27.535 557 1HB GLN 41 2HB GLN 41 3.155 1.985 -28.939 558 2HB GLN 41 1HB GLN 41 2.207 2.329 -27.494 559 1HG GLN 41 2HG GLN 41 3.064 4.424 -28.373 560 2HG GLN 41 1HG GLN 41 3.903 4.065 -26.863 561 1HE2 GLN 41 1HE2 GLN 41 5.932 5.056 -27.334 562 2HE2 GLN 41 2HE2 GLN 41 6.933 4.563 -28.614 563 H LEU 42 H LEU 42 2.476 0.956 -25.203 564 HA LEU 42 HA LEU 42 3.414 2.968 -23.381 565 1HB LEU 42 2HB LEU 42 1.605 0.579 -22.941 566 2HB LEU 42 1HB LEU 42 1.884 1.831 -21.762 567 HG LEU 42 HG LEU 42 0.265 3.109 -22.653 568 1HD1 LEU 42 1HD1 LEU 42 0.301 4.035 -24.863 569 2HD1 LEU 42 2HD1 LEU 42 1.330 2.739 -25.461 570 3HD1 LEU 42 3HD1 LEU 42 1.977 3.927 -24.334 571 1HD2 LEU 42 1HD2 LEU 42 -1.022 2.020 -24.678 572 2HD2 LEU 42 2HD2 LEU 42 -1.088 1.282 -23.077 573 3HD2 LEU 42 3HD2 LEU 42 -0.003 0.629 -24.306 574 H ARG 43 H ARG 43 3.545 -0.623 -23.260 575 HA ARG 43 HA ARG 43 5.084 -0.920 -20.954 576 1HB ARG 43 2HB ARG 43 5.765 -3.075 -21.797 577 2HB ARG 43 1HB ARG 43 4.116 -2.782 -22.310 578 1HG ARG 43 2HG ARG 43 4.954 -2.040 -24.518 579 2HG ARG 43 1HG ARG 43 6.595 -2.432 -24.009 580 1HD ARG 43 2HD ARG 43 5.669 -4.782 -23.482 581 2HD ARG 43 1HD ARG 43 4.275 -4.309 -24.453 582 HE ARG 43 HE ARG 43 6.815 -3.846 -25.808 583 1HH1 ARG 43 1HH2 ARG 43 4.318 -6.192 -25.106 584 2HH1 ARG 43 2HH2 ARG 43 4.673 -7.138 -26.508 585 1HH2 ARG 43 2HH1 ARG 43 7.243 -5.102 -27.608 586 2HH2 ARG 43 1HH1 ARG 43 6.311 -6.530 -27.910 587 H LYS 44 H LYS 44 6.320 -0.301 -24.262 588 HA LYS 44 HA LYS 44 9.057 -0.353 -23.468 589 1HB LYS 44 2HB LYS 44 9.506 0.772 -25.601 590 2HB LYS 44 1HB LYS 44 8.356 -0.536 -25.835 591 1HG LYS 44 2HG LYS 44 6.518 0.992 -25.942 592 2HG LYS 44 1HG LYS 44 7.514 2.338 -25.402 593 1HD LYS 44 2HD LYS 44 7.263 2.542 -27.791 594 2HD LYS 44 1HD LYS 44 8.917 2.019 -27.475 595 1HE LYS 44 2HE LYS 44 8.228 -0.333 -27.891 596 2HE LYS 44 1HE LYS 44 6.604 0.233 -28.283 597 1HZ LYS 44 1HZ LYS 44 7.745 0.017 -30.315 598 2HZ LYS 44 2HZ LYS 44 9.126 0.811 -29.724 599 3HZ LYS 44 3HZ LYS 44 7.693 1.682 -29.996 600 H ASP 45 H ASP 45 6.530 2.092 -23.300 601 HA ASP 45 HA ASP 45 8.247 4.343 -22.893 602 1HB ASP 45 2HB ASP 45 5.407 3.849 -21.957 603 2HB ASP 45 1HB ASP 45 6.239 5.385 -21.842 604 H ILE 46 H ILE 46 6.634 2.116 -20.559 605 HA ILE 46 HA ILE 46 7.644 3.358 -18.207 606 HB ILE 46 HB ILE 46 5.921 1.413 -18.461 607 1HG1 ILE 46 2HG1 ILE 46 6.442 0.749 -16.093 608 2HG1 ILE 46 1HG1 ILE 46 7.936 1.671 -16.229 609 1HG2 ILE 46 1HG2 ILE 46 6.612 -0.752 -18.516 610 2HG2 ILE 46 2HG2 ILE 46 8.054 -0.421 -17.558 611 3HG2 ILE 46 3HG2 ILE 46 8.044 -0.071 -19.282 612 1HD1 ILE 46 1HD1 ILE 46 5.853 3.342 -17.196 613 2HD1 ILE 46 2HD1 ILE 46 6.793 3.533 -15.718 614 3HD1 ILE 46 3HD1 ILE 46 5.286 2.622 -15.691 615 H LEU 47 H LEU 47 9.183 1.124 -20.471 616 HA LEU 47 HA LEU 47 11.494 0.514 -18.899 617 1HB LEU 47 2HB LEU 47 10.936 0.610 -21.860 618 2HB LEU 47 1HB LEU 47 12.562 0.294 -21.266 619 HG LEU 47 HG LEU 47 10.194 -1.273 -20.253 620 1HD1 LEU 47 1HD1 LEU 47 11.299 -3.001 -21.975 621 2HD1 LEU 47 2HD1 LEU 47 11.670 -1.508 -22.836 622 3HD1 LEU 47 3HD1 LEU 47 9.996 -1.915 -22.458 623 1HD2 LEU 47 1HD2 LEU 47 12.152 -2.964 -20.020 624 2HD2 LEU 47 2HD2 LEU 47 12.096 -1.609 -18.892 625 3HD2 LEU 47 3HD2 LEU 47 13.197 -1.566 -20.269 626 H GLU 48 H GLU 48 10.762 3.116 -21.192 627 HA GLU 48 HA GLU 48 13.315 4.445 -20.872 628 1HB GLU 48 2HB GLU 48 10.903 6.029 -21.663 629 2HB GLU 48 1HB GLU 48 12.531 6.073 -22.329 630 1HG GLU 48 2HG GLU 48 11.715 3.526 -22.995 631 2HG GLU 48 1HG GLU 48 10.220 4.436 -23.115 632 H VAL 49 H VAL 49 10.115 4.686 -19.425 633 HA VAL 49 HA VAL 49 10.522 7.038 -17.872 634 HB VAL 49 HB VAL 49 8.848 4.604 -17.165 635 1HG1 VAL 49 1HG1 VAL 49 7.650 6.031 -15.696 636 2HG1 VAL 49 2HG1 VAL 49 8.370 7.484 -16.388 637 3HG1 VAL 49 3HG1 VAL 49 9.347 6.406 -15.392 638 1HG2 VAL 49 1HG2 VAL 49 7.314 5.262 -18.707 639 2HG2 VAL 49 2HG2 VAL 49 8.623 6.198 -19.427 640 3HG2 VAL 49 3HG2 VAL 49 7.507 6.966 -18.297 641 H ILE 50 H ILE 50 10.779 3.601 -16.837 642 HA ILE 50 HA ILE 50 11.999 4.086 -14.322 643 HB ILE 50 HB ILE 50 12.539 1.757 -16.192 644 1HG1 ILE 50 2HG1 ILE 50 10.612 1.570 -13.930 645 2HG1 ILE 50 1HG1 ILE 50 10.085 2.492 -15.339 646 1HG2 ILE 50 1HG2 ILE 50 12.977 0.555 -14.044 647 2HG2 ILE 50 2HG2 ILE 50 12.820 2.091 -13.191 648 3HG2 ILE 50 3HG2 ILE 50 14.131 1.853 -14.348 649 1HD1 ILE 50 1HD1 ILE 50 9.419 0.351 -15.956 650 2HD1 ILE 50 2HD1 ILE 50 10.775 -0.418 -15.130 651 3HD1 ILE 50 3HD1 ILE 50 11.033 0.410 -16.665 652 H CYS 51 H CYS 51 13.286 4.286 -17.560 653 HA CYS 51 HA CYS 51 16.072 4.234 -16.817 654 1HB CYS 51 2HB CYS 51 14.980 3.841 -19.153 655 2HB CYS 51 1HB CYS 51 14.985 5.601 -19.273 656 HG CYS 51 HG CYS 51 17.340 4.008 -19.902 657 H LYS 52 H LYS 52 13.745 6.835 -17.558 658 HA LYS 52 HA LYS 52 15.492 9.043 -17.239 659 1HB LYS 52 2HB LYS 52 12.558 8.907 -16.493 660 2HB LYS 52 1HB LYS 52 13.481 10.378 -16.780 661 1HG LYS 52 2HG LYS 52 13.659 9.973 -19.079 662 2HG LYS 52 1HG LYS 52 13.334 8.249 -18.898 663 1HD LYS 52 2HD LYS 52 11.236 8.871 -19.587 664 2HD LYS 52 1HD LYS 52 11.035 9.249 -17.876 665 1HE LYS 52 2HE LYS 52 10.308 11.164 -19.188 666 2HE LYS 52 1HE LYS 52 11.803 11.582 -18.350 667 1HZ LYS 52 1HZ LYS 52 11.896 10.461 -21.071 668 2HZ LYS 52 2HZ LYS 52 13.030 11.446 -20.278 669 3HZ LYS 52 3HZ LYS 52 11.574 12.111 -20.846 670 H TYR 53 H TYR 53 13.791 7.121 -14.830 671 HA TYR 53 HA TYR 53 14.796 8.879 -12.666 672 1HB TYR 53 2HB TYR 53 12.821 6.577 -12.633 673 2HB TYR 53 1HB TYR 53 13.251 7.561 -11.247 674 HD1 TYR 53 HD1 TYR 53 11.839 9.341 -10.712 675 HD2 TYR 53 HD2 TYR 53 12.069 8.024 -14.786 676 HE1 TYR 53 HE1 TYR 53 10.066 10.957 -11.349 677 HE2 TYR 53 HE2 TYR 53 10.314 9.632 -15.424 678 HH TYR 53 HH TYR 53 8.310 10.795 -14.037 679 H VAL 54 H VAL 54 15.529 5.895 -14.238 680 HA VAL 54 HA VAL 54 17.606 5.316 -12.224 681 HB VAL 54 HB VAL 54 15.823 3.008 -13.008 682 1HG1 VAL 54 1HG1 VAL 54 16.845 1.921 -11.210 683 2HG1 VAL 54 2HG1 VAL 54 17.227 3.431 -10.383 684 3HG1 VAL 54 3HG1 VAL 54 18.153 2.945 -11.804 685 1HG2 VAL 54 1HG2 VAL 54 14.316 4.719 -11.995 686 2HG2 VAL 54 2HG2 VAL 54 15.379 4.797 -10.590 687 3HG2 VAL 54 3HG2 VAL 54 14.506 3.308 -10.953 688 H GLN 55 H GLN 55 17.653 2.477 -13.711 689 HA GLN 55 HA GLN 55 18.151 3.063 -16.466 690 1HB GLN 55 2HB GLN 55 20.259 3.762 -14.626 691 2HB GLN 55 1HB GLN 55 20.802 2.450 -15.669 692 1HG GLN 55 2HG GLN 55 20.133 3.740 -17.658 693 2HG GLN 55 1HG GLN 55 19.573 5.053 -16.621 694 1HE2 GLN 55 1HE2 GLN 55 21.095 6.707 -16.581 695 2HE2 GLN 55 2HE2 GLN 55 22.778 6.487 -16.569 696 H ILE 56 H ILE 56 17.414 1.138 -17.134 697 HA ILE 56 HA ILE 56 18.817 -1.320 -16.211 698 HB ILE 56 HB ILE 56 16.481 -2.453 -16.347 699 1HG1 ILE 56 2HG1 ILE 56 15.311 0.069 -15.333 700 2HG1 ILE 56 1HG1 ILE 56 15.668 0.076 -17.059 701 1HG2 ILE 56 1HG2 ILE 56 18.016 -1.706 -14.291 702 2HG2 ILE 56 2HG2 ILE 56 16.418 -2.412 -14.053 703 3HG2 ILE 56 3HG2 ILE 56 16.631 -0.663 -13.970 704 1HD1 ILE 56 1HD1 ILE 56 14.079 -2.084 -15.638 705 2HD1 ILE 56 2HD1 ILE 56 14.372 -1.973 -17.375 706 3HD1 ILE 56 3HD1 ILE 56 13.370 -0.764 -16.571 707 H ASP 57 H ASP 57 18.258 -3.179 -17.744 708 HA ASP 57 HA ASP 57 18.207 -2.108 -20.517 709 1HB ASP 57 2HB ASP 57 19.266 -4.601 -19.227 710 2HB ASP 57 1HB ASP 57 18.845 -4.645 -20.939 711 HA PRO 58 HA PRO 58 14.215 -3.853 -21.313 712 1HB PRO 58 2HB PRO 58 14.462 -4.759 -23.883 713 2HB PRO 58 1HB PRO 58 14.347 -3.043 -23.462 714 1HG PRO 58 2HG PRO 58 16.721 -4.634 -24.275 715 2HG PRO 58 1HG PRO 58 16.353 -2.928 -24.562 716 1HD PRO 58 2HD PRO 58 18.117 -3.878 -22.621 717 2HD PRO 58 1HD PRO 58 17.368 -2.267 -22.619 718 H GLU 59 H GLU 59 17.008 -5.893 -21.936 719 HA GLU 59 HA GLU 59 15.575 -8.398 -22.077 720 1HB GLU 59 2HB GLU 59 18.441 -7.850 -21.237 721 2HB GLU 59 1HB GLU 59 17.781 -9.423 -21.684 722 1HG GLU 59 2HG GLU 59 17.304 -8.629 -23.940 723 2HG GLU 59 1HG GLU 59 17.838 -7.004 -23.509 724 H MET 60 H MET 60 16.213 -6.216 -19.496 725 HA MET 60 HA MET 60 16.158 -8.291 -17.405 726 1HB MET 60 2HB MET 60 16.457 -5.292 -17.454 727 2HB MET 60 1HB MET 60 16.097 -6.128 -15.947 728 1HG MET 60 2HG MET 60 18.283 -7.316 -17.559 729 2HG MET 60 1HG MET 60 18.625 -5.722 -16.888 730 1HE MET 60 1HE MET 60 17.947 -5.028 -14.732 731 2HE MET 60 2HE MET 60 19.542 -5.542 -14.191 732 3HE MET 60 3HE MET 60 18.121 -5.949 -13.232 733 H VAL 61 H VAL 61 13.986 -6.111 -19.061 734 HA VAL 61 HA VAL 61 11.868 -6.541 -17.031 735 HB VAL 61 HB VAL 61 11.805 -4.874 -19.564 736 1HG1 VAL 61 1HG1 VAL 61 9.813 -3.904 -18.674 737 2HG1 VAL 61 2HG1 VAL 61 10.067 -4.656 -17.099 738 3HG1 VAL 61 3HG1 VAL 61 9.615 -5.647 -18.486 739 1HG2 VAL 61 1HG2 VAL 61 13.345 -3.666 -18.361 740 2HG2 VAL 61 2HG2 VAL 61 12.848 -4.368 -16.821 741 3HG2 VAL 61 3HG2 VAL 61 11.894 -3.076 -17.550 742 H THR 62 H THR 62 10.303 -8.067 -17.356 743 HA THR 62 HA THR 62 10.268 -9.492 -19.939 744 HB THR 62 HB THR 62 8.697 -10.300 -17.504 745 HG1 THR 62 HG1 THR 62 11.436 -10.787 -18.060 746 1HG2 THR 62 1HG2 THR 62 9.666 -11.537 -20.035 747 2HG2 THR 62 2HG2 THR 62 8.144 -11.775 -19.175 748 3HG2 THR 62 3HG2 THR 62 9.613 -12.567 -18.604 749 H VAL 63 H VAL 63 8.165 -10.032 -20.904 750 HA VAL 63 HA VAL 63 5.910 -8.263 -20.111 751 HB VAL 63 HB VAL 63 6.926 -8.518 -22.955 752 1HG1 VAL 63 1HG1 VAL 63 4.398 -8.032 -22.219 753 2HG1 VAL 63 2HG1 VAL 63 5.137 -7.203 -23.589 754 3HG1 VAL 63 3HG1 VAL 63 5.038 -6.401 -22.021 755 1HG2 VAL 63 1HG2 VAL 63 8.523 -7.155 -21.881 756 2HG2 VAL 63 2HG2 VAL 63 7.315 -6.418 -20.829 757 3HG2 VAL 63 3HG2 VAL 63 7.371 -5.994 -22.540 758 H GLN 64 H GLN 64 4.059 -9.460 -20.079 759 HA GLN 64 HA GLN 64 3.778 -11.737 -21.955 760 1HB GLN 64 2HB GLN 64 3.022 -13.200 -20.054 761 2HB GLN 64 1HB GLN 64 4.730 -12.775 -19.979 762 1HG GLN 64 2HG GLN 64 3.155 -10.757 -18.619 763 2HG GLN 64 1HG GLN 64 2.770 -12.352 -17.978 764 1HE2 GLN 64 1HE2 GLN 64 5.548 -10.182 -18.664 765 2HE2 GLN 64 2HE2 GLN 64 6.564 -10.858 -17.483 766 H LEU 65 H LEU 65 1.756 -11.681 -22.827 767 HA LEU 65 HA LEU 65 -0.297 -10.022 -21.483 768 1HB LEU 65 2HB LEU 65 -1.434 -10.128 -23.700 769 2HB LEU 65 1HB LEU 65 0.162 -9.396 -23.780 770 HG LEU 65 HG LEU 65 0.114 -12.335 -24.139 771 1HD1 LEU 65 1HD1 LEU 65 -1.806 -12.059 -25.453 772 2HD1 LEU 65 2HD1 LEU 65 -0.513 -11.859 -26.636 773 3HD1 LEU 65 3HD1 LEU 65 -1.333 -10.443 -25.976 774 1HD2 LEU 65 1HD2 LEU 65 1.957 -11.896 -25.461 775 2HD2 LEU 65 2HD2 LEU 65 1.981 -10.442 -24.462 776 3HD2 LEU 65 3HD2 LEU 65 1.283 -10.388 -26.082 777 H GLU 66 H GLU 66 -2.534 -10.822 -21.477 778 HA GLU 66 HA GLU 66 -2.906 -13.733 -21.782 779 1HB GLU 66 2HB GLU 66 -3.065 -12.268 -19.148 780 2HB GLU 66 1HB GLU 66 -3.942 -13.771 -19.418 781 1HG GLU 66 2HG GLU 66 -0.956 -13.400 -19.761 782 2HG GLU 66 1HG GLU 66 -1.725 -14.134 -18.355 783 H GLN 67 H GLN 67 -5.333 -14.173 -20.934 784 HA GLN 67 HA GLN 67 -7.116 -11.900 -21.561 785 1HB GLN 67 2HB GLN 67 -6.912 -14.414 -23.234 786 2HB GLN 67 1HB GLN 67 -8.355 -13.400 -23.230 787 1HG GLN 67 2HG GLN 67 -7.279 -12.311 -24.923 788 2HG GLN 67 1HG GLN 67 -6.436 -11.507 -23.599 789 1HE2 GLN 67 1HE2 GLN 67 -5.260 -11.983 -26.230 790 2HE2 GLN 67 2HE2 GLN 67 -3.943 -13.031 -26.011 791 H LYS 68 H LYS 68 -9.391 -12.434 -21.039 792 HA LYS 68 HA LYS 68 -9.592 -14.736 -19.139 793 1HB LYS 68 2HB LYS 68 -10.869 -11.997 -18.979 794 2HB LYS 68 1HB LYS 68 -11.284 -13.340 -17.917 795 1HG LYS 68 2HG LYS 68 -9.397 -13.101 -16.681 796 2HG LYS 68 1HG LYS 68 -8.387 -12.858 -18.105 797 1HD LYS 68 2HD LYS 68 -8.381 -10.822 -16.760 798 2HD LYS 68 1HD LYS 68 -9.244 -10.518 -18.268 799 1HE LYS 68 2HE LYS 68 -10.589 -9.576 -16.522 800 2HE LYS 68 1HE LYS 68 -11.387 -11.070 -17.014 801 1HZ LYS 68 1HZ LYS 68 -9.416 -11.100 -14.826 802 2HZ LYS 68 2HZ LYS 68 -10.706 -12.164 -15.122 803 3HZ LYS 68 3HZ LYS 68 -11.010 -10.604 -14.521 804 H ASP 69 H ASP 69 -11.930 -15.466 -18.860 805 HA ASP 69 HA ASP 69 -13.070 -15.985 -21.467 806 1HB ASP 69 2HB ASP 69 -13.087 -17.609 -19.549 807 2HB ASP 69 1HB ASP 69 -14.277 -16.577 -18.756 808 H GLY 70 H GLY 70 -13.363 -13.308 -19.438 809 1HA GLY 70 2HA GLY 70 -16.198 -12.806 -20.163 810 2HA GLY 70 1HA GLY 70 -15.255 -11.868 -19.006 811 H ASP 71 H ASP 71 -14.055 -12.766 -22.185 812 HA ASP 71 HA ASP 71 -13.379 -11.453 -24.002 813 1HB ASP 71 2HB ASP 71 -15.842 -10.006 -23.040 814 2HB ASP 71 1HB ASP 71 -14.883 -9.360 -24.370 815 H ILE 72 H ILE 72 -11.895 -11.148 -21.704 816 HA ILE 72 HA ILE 72 -11.254 -8.227 -21.741 817 HB ILE 72 HB ILE 72 -10.840 -10.087 -19.392 818 1HG1 ILE 72 2HG1 ILE 72 -13.162 -8.268 -20.098 819 2HG1 ILE 72 1HG1 ILE 72 -13.219 -9.982 -19.722 820 1HG2 ILE 72 1HG2 ILE 72 -10.887 -7.063 -19.593 821 2HG2 ILE 72 2HG2 ILE 72 -9.415 -8.037 -19.588 822 3HG2 ILE 72 3HG2 ILE 72 -10.465 -8.017 -18.171 823 1HD1 ILE 72 1HD1 ILE 72 -14.011 -8.601 -17.817 824 2HD1 ILE 72 2HD1 ILE 72 -12.439 -7.805 -17.755 825 3HD1 ILE 72 3HD1 ILE 72 -12.570 -9.526 -17.397 826 H SER 73 H SER 73 -8.984 -7.731 -21.567 827 HA SER 73 HA SER 73 -7.182 -10.033 -22.243 828 1HB SER 73 2HB SER 73 -7.120 -7.158 -23.208 829 2HB SER 73 1HB SER 73 -5.818 -8.311 -23.479 830 HG SER 73 HG SER 73 -6.947 -9.027 -25.088 831 H ILE 74 H ILE 74 -4.879 -9.589 -21.600 832 HA ILE 74 HA ILE 74 -4.609 -7.726 -19.305 833 HB ILE 74 HB ILE 74 -4.076 -10.703 -19.223 834 1HG1 ILE 74 2HG1 ILE 74 -6.002 -8.945 -17.678 835 2HG1 ILE 74 1HG1 ILE 74 -6.437 -10.083 -18.948 836 1HG2 ILE 74 1HG2 ILE 74 -2.308 -9.517 -18.015 837 2HG2 ILE 74 2HG2 ILE 74 -3.389 -10.297 -16.862 838 3HG2 ILE 74 3HG2 ILE 74 -3.512 -8.562 -17.150 839 1HD1 ILE 74 1HD1 ILE 74 -4.906 -11.598 -17.152 840 2HD1 ILE 74 2HD1 ILE 74 -6.658 -11.650 -17.344 841 3HD1 ILE 74 3HD1 ILE 74 -5.936 -10.594 -16.130 842 H LEU 75 H LEU 75 -2.402 -7.185 -18.873 843 HA LEU 75 HA LEU 75 -0.346 -8.295 -20.650 844 1HB LEU 75 2HB LEU 75 -1.362 -6.299 -21.808 845 2HB LEU 75 1HB LEU 75 -0.812 -5.315 -20.457 846 HG LEU 75 HG LEU 75 1.384 -6.950 -21.367 847 1HD1 LEU 75 1HD1 LEU 75 0.811 -7.099 -23.574 848 2HD1 LEU 75 2HD1 LEU 75 1.404 -5.439 -23.621 849 3HD1 LEU 75 3HD1 LEU 75 -0.325 -5.753 -23.478 850 1HD2 LEU 75 1HD2 LEU 75 1.068 -4.509 -20.257 851 2HD2 LEU 75 2HD2 LEU 75 1.286 -4.029 -21.941 852 3HD2 LEU 75 3HD2 LEU 75 2.532 -4.974 -21.126 853 H GLU 76 H GLU 76 0.764 -9.124 -18.916 854 HA GLU 76 HA GLU 76 1.458 -7.314 -16.669 855 1HB GLU 76 2HB GLU 76 2.106 -10.257 -17.001 856 2HB GLU 76 1HB GLU 76 2.188 -9.312 -15.517 857 1HG GLU 76 2HG GLU 76 0.095 -10.129 -15.145 858 2HG GLU 76 1HG GLU 76 -0.409 -8.875 -16.278 859 H LEU 77 H LEU 77 3.586 -6.663 -16.294 860 HA LEU 77 HA LEU 77 5.668 -7.707 -18.157 861 1HB LEU 77 2HB LEU 77 6.588 -5.347 -18.272 862 2HB LEU 77 1HB LEU 77 5.064 -5.590 -19.122 863 HG LEU 77 HG LEU 77 4.981 -4.704 -16.260 864 1HD1 LEU 77 1HD1 LEU 77 6.400 -2.998 -16.882 865 2HD1 LEU 77 2HD1 LEU 77 4.882 -2.321 -17.471 866 3HD1 LEU 77 3HD1 LEU 77 5.980 -3.131 -18.589 867 1HD2 LEU 77 1HD2 LEU 77 3.269 -4.641 -18.704 868 2HD2 LEU 77 2HD2 LEU 77 3.090 -3.314 -17.557 869 3HD2 LEU 77 3HD2 LEU 77 2.822 -4.977 -17.032 870 H ASN 78 H ASN 78 7.426 -8.381 -17.040 871 HA ASN 78 HA ASN 78 7.603 -7.783 -14.160 872 1HB ASN 78 2HB ASN 78 9.489 -9.453 -15.829 873 2HB ASN 78 1HB ASN 78 9.237 -9.523 -14.097 874 1HD2 ASN 78 1HD2 ASN 78 6.226 -9.355 -14.397 875 2HD2 ASN 78 2HD2 ASN 78 5.752 -10.884 -14.956 876 H VAL 79 H VAL 79 9.261 -6.563 -13.252 877 HA VAL 79 HA VAL 79 11.207 -5.339 -15.167 878 HB VAL 79 HB VAL 79 10.038 -3.942 -12.749 879 1HG1 VAL 79 1HG1 VAL 79 11.496 -2.898 -15.193 880 2HG1 VAL 79 2HG1 VAL 79 12.259 -3.199 -13.632 881 3HG1 VAL 79 3HG1 VAL 79 11.010 -1.963 -13.779 882 1HG2 VAL 79 1HG2 VAL 79 9.268 -3.533 -15.656 883 2HG2 VAL 79 2HG2 VAL 79 8.533 -2.782 -14.239 884 3HG2 VAL 79 3HG2 VAL 79 8.317 -4.507 -14.533 885 H THR 80 H THR 80 12.898 -6.733 -14.598 886 HA THR 80 HA THR 80 13.606 -7.088 -11.760 887 HB THR 80 HB THR 80 15.067 -8.036 -14.242 888 HG1 THR 80 HG1 THR 80 13.735 -9.667 -14.265 889 1HG2 THR 80 1HG2 THR 80 15.152 -9.293 -11.513 890 2HG2 THR 80 2HG2 THR 80 16.194 -7.920 -11.886 891 3HG2 THR 80 3HG2 THR 80 16.327 -9.407 -12.824 892 H LEU 81 H LEU 81 14.553 -5.302 -10.860 893 HA LEU 81 HA LEU 81 16.400 -3.636 -12.436 894 1HB LEU 81 2HB LEU 81 15.414 -3.458 -9.572 895 2HB LEU 81 1HB LEU 81 16.460 -2.273 -10.343 896 HG LEU 81 HG LEU 81 13.970 -2.992 -11.796 897 1HD1 LEU 81 1HD1 LEU 81 12.525 -1.706 -10.425 898 2HD1 LEU 81 2HD1 LEU 81 13.867 -1.036 -9.499 899 3HD1 LEU 81 3HD1 LEU 81 13.412 -2.727 -9.294 900 1HD2 LEU 81 1HD2 LEU 81 14.169 -0.280 -11.754 901 2HD2 LEU 81 2HD2 LEU 81 15.004 -1.293 -12.930 902 3HD2 LEU 81 3HD2 LEU 81 15.858 -0.721 -11.498 903 HA PRO 82 HA PRO 82 19.882 -5.914 -10.726 904 1HB PRO 82 2HB PRO 82 21.862 -4.361 -11.783 905 2HB PRO 82 1HB PRO 82 20.916 -5.511 -12.739 906 1HG PRO 82 2HG PRO 82 20.836 -2.570 -12.740 907 2HG PRO 82 1HG PRO 82 20.314 -3.712 -13.985 908 1HD PRO 82 2HD PRO 82 18.664 -2.296 -12.118 909 2HD PRO 82 1HD PRO 82 18.157 -3.508 -13.315 910 H GLU 83 H GLU 83 22.103 -5.205 -9.619 911 HA GLU 83 HA GLU 83 21.475 -3.874 -7.184 912 1HB GLU 83 2HB GLU 83 23.830 -5.088 -8.432 913 2HB GLU 83 1HB GLU 83 24.249 -3.700 -7.431 914 1HG GLU 83 2HG GLU 83 22.844 -4.704 -5.592 915 2HG GLU 83 1HG GLU 83 22.683 -6.151 -6.589 916 H ALA 84 H ALA 84 23.434 -2.066 -6.627 917 HA ALA 84 HA ALA 84 23.908 -0.071 -8.600 918 1HB ALA 84 1HB ALA 84 21.712 0.725 -6.684 919 2HB ALA 84 2HB ALA 84 21.357 0.077 -8.286 920 3HB ALA 84 3HB ALA 84 22.262 1.581 -8.125 921 H GLU 85 H GLU 85 25.343 -1.342 -6.516 922 HA GLU 85 HA GLU 85 25.556 0.280 -4.162 923 1HB GLU 85 2HB GLU 85 26.438 -2.114 -4.551 924 2HB GLU 85 1HB GLU 85 27.819 -1.341 -5.330 925 1HG GLU 85 2HG GLU 85 28.611 -0.448 -3.362 926 2HG GLU 85 1HG GLU 85 26.999 -0.289 -2.664 927 H GLU 86 H GLU 86 25.590 2.452 -5.107 928 HA GLU 86 HA GLU 86 28.202 3.568 -5.307 929 1HB GLU 86 2HB GLU 86 27.644 2.312 -7.639 930 2HB GLU 86 1HB GLU 86 26.916 3.884 -7.969 931 1HG GLU 86 2HG GLU 86 28.953 5.023 -7.733 932 2HG GLU 86 1HG GLU 86 29.686 3.713 -6.805 933 H LEU 87 H LEU 87 25.705 4.097 -3.983 934 HA LEU 87 HA LEU 87 24.615 6.513 -5.285 935 1HB LEU 87 2HB LEU 87 23.028 6.542 -3.394 936 2HB LEU 87 1HB LEU 87 23.055 4.964 -4.176 937 HG LEU 87 HG LEU 87 25.046 4.745 -2.240 938 1HD1 LEU 87 1HD1 LEU 87 23.849 5.463 -0.147 939 2HD1 LEU 87 2HD1 LEU 87 22.705 6.339 -1.164 940 3HD1 LEU 87 3HD1 LEU 87 24.406 6.804 -1.146 941 1HD2 LEU 87 1HD2 LEU 87 23.387 3.025 -2.822 942 2HD2 LEU 87 2HD2 LEU 87 22.112 3.984 -2.071 943 3HD2 LEU 87 3HD2 LEU 87 23.397 3.294 -1.080 944 H LYS 88 HN LYS 88 24.620 8.592 -4.188 945 HA LYS 88 HA LYS 88 26.677 8.889 -2.051 946 1HB LYS 88 2HB LYS 88 26.677 10.084 -4.782 947 2HB LYS 88 1HB LYS 88 27.160 11.135 -3.451 948 1HG LYS 88 2HG LYS 88 29.211 10.191 -3.858 949 2HG LYS 88 1HG LYS 88 28.574 8.935 -2.795 950 1HD LYS 88 2HD LYS 88 27.615 7.874 -4.954 951 2HD LYS 88 1HD LYS 88 28.735 8.938 -5.806 952 1HE LYS 88 2HE LYS 88 29.451 6.861 -3.718 953 2HE LYS 88 1HE LYS 88 29.824 6.794 -5.441 954 1HZ LYS 88 1HZ LYS 88 31.757 7.571 -4.394 955 2HZ LYS 88 2HZ LYS 88 30.901 8.661 -3.411 956 3HZ LYS 88 3HZ LYS 88 31.047 8.950 -5.079 Start of MODEL 11 1 1H ARG 31 1H ARG 31 4.640 1.079 3.378 2 2H ARG 31 2H ARG 31 4.089 -0.432 2.830 3 3H ARG 31 3H ARG 31 3.022 0.888 2.906 4 HA ARG 31 HA ARG 31 3.718 0.448 0.627 5 1HB ARG 31 2HB ARG 31 3.470 2.850 1.847 6 2HB ARG 31 1HB ARG 31 5.138 2.975 1.289 7 1HG ARG 31 2HG ARG 31 4.138 3.693 -0.640 8 2HG ARG 31 1HG ARG 31 3.987 1.962 -0.942 9 1HD ARG 31 2HD ARG 31 1.763 2.298 0.511 10 2HD ARG 31 1HD ARG 31 1.902 3.936 -0.128 11 HE ARG 31 HE ARG 31 2.253 2.173 -2.308 12 1HH1 ARG 31 1HH2 ARG 31 -0.236 3.030 -0.004 13 2HH1 ARG 31 2HH2 ARG 31 -1.520 2.649 -1.097 14 1HH2 ARG 31 1HH1 ARG 31 0.559 1.692 -3.690 15 2HH2 ARG 31 2HH1 ARG 31 -1.077 1.900 -3.162 16 H SER 32 H SER 32 5.321 -1.306 0.679 17 HA SER 32 HA SER 32 8.066 -0.937 1.325 18 1HB SER 32 2HB SER 32 7.146 -2.779 -0.868 19 2HB SER 32 1HB SER 32 8.450 -3.013 0.294 20 HG SER 32 HG SER 32 5.686 -3.313 0.585 21 H ASP 33 H ASP 33 6.223 0.065 -1.460 22 HA ASP 33 HA ASP 33 8.593 0.448 -3.125 23 1HB ASP 33 2HB ASP 33 5.796 1.480 -3.625 24 2HB ASP 33 1HB ASP 33 7.086 1.268 -4.810 25 H ALA 34 H ALA 34 7.760 2.056 -0.457 26 HA ALA 34 HA ALA 34 7.942 4.778 -1.531 27 1HB ALA 34 1HB ALA 34 6.389 4.340 0.322 28 2HB ALA 34 2HB ALA 34 7.651 5.466 0.822 29 3HB ALA 34 3HB ALA 34 7.730 3.774 1.316 30 H GLU 35 H GLU 35 10.157 2.390 -0.890 31 HA GLU 35 HA GLU 35 12.146 3.955 0.539 32 1HB GLU 35 2HB GLU 35 12.553 1.397 -1.035 33 2HB GLU 35 1HB GLU 35 13.618 2.061 0.198 34 1HG GLU 35 2HG GLU 35 10.848 1.730 1.129 35 2HG GLU 35 1HG GLU 35 11.605 0.213 0.648 36 HA PRO 36 HA PRO 36 14.076 4.439 -3.828 37 1HB PRO 36 2HB PRO 36 12.605 3.706 -6.008 38 2HB PRO 36 1HB PRO 36 13.665 2.591 -5.136 39 1HG PRO 36 2HG PRO 36 10.729 2.711 -5.210 40 2HG PRO 36 1HG PRO 36 11.795 1.357 -4.809 41 1HD PRO 36 2HD PRO 36 10.362 3.029 -2.994 42 2HD PRO 36 1HD PRO 36 11.506 1.744 -2.595 43 H HIS 37 H HIS 37 10.535 4.833 -3.984 44 HA HIS 37 HA HIS 37 9.229 6.747 -4.267 45 1HB HIS 37 2HB HIS 37 11.227 7.850 -2.992 46 2HB HIS 37 1HB HIS 37 11.673 8.472 -4.581 47 HD1 HIS 37 HD1 HIS 37 10.603 10.640 -5.167 48 HD2 HIS 37 HD2 HIS 37 8.291 8.486 -2.448 49 HE1 HIS 37 HE1 HIS 37 8.608 12.097 -4.610 50 H TYR 38 H TYR 38 11.260 5.440 -6.537 51 HA TYR 38 HA TYR 38 10.149 7.210 -8.667 52 1HB TYR 38 2HB TYR 38 12.126 6.388 -10.055 53 2HB TYR 38 1HB TYR 38 12.524 7.491 -8.741 54 HD1 TYR 38 HD1 TYR 38 13.779 6.759 -6.815 55 HD2 TYR 38 HD2 TYR 38 12.587 3.958 -9.846 56 HE1 TYR 38 HE1 TYR 38 15.312 5.064 -5.851 57 HE2 TYR 38 HE2 TYR 38 14.120 2.263 -8.880 58 HH TYR 38 HH TYR 38 15.546 2.609 -5.815 59 H LEU 39 H LEU 39 10.884 3.916 -7.633 60 HA LEU 39 HA LEU 39 10.118 2.449 -9.892 61 1HB LEU 39 2HB LEU 39 10.642 1.925 -7.159 62 2HB LEU 39 1HB LEU 39 9.083 1.184 -7.506 63 HG LEU 39 HG LEU 39 10.865 -0.424 -7.974 64 1HD1 LEU 39 1HD1 LEU 39 10.081 0.507 -10.719 65 2HD1 LEU 39 2HD1 LEU 39 8.825 -0.031 -9.604 66 3HD1 LEU 39 3HD1 LEU 39 10.123 -1.131 -10.068 67 1HD2 LEU 39 1HD2 LEU 39 12.808 0.787 -8.397 68 2HD2 LEU 39 2HD2 LEU 39 11.995 1.906 -9.490 69 3HD2 LEU 39 3HD2 LEU 39 12.374 0.269 -10.025 70 HA PRO 40 HA PRO 40 5.518 2.639 -8.446 71 1HB PRO 40 2HB PRO 40 4.848 4.489 -6.545 72 2HB PRO 40 1HB PRO 40 5.295 2.817 -6.178 73 1HG PRO 40 2HG PRO 40 6.876 5.305 -5.854 74 2HG PRO 40 1HG PRO 40 6.911 3.810 -4.914 75 1HD PRO 40 2HD PRO 40 8.786 4.542 -6.836 76 2HD PRO 40 1HD PRO 40 8.538 2.890 -6.230 77 H GLN 41 H GLN 41 7.499 5.444 -8.880 78 HA GLN 41 HA GLN 41 5.376 7.213 -9.816 79 1HB GLN 41 2HB GLN 41 7.467 8.132 -8.884 80 2HB GLN 41 1HB GLN 41 8.396 7.328 -10.147 81 1HG GLN 41 2HG GLN 41 8.077 9.670 -10.751 82 2HG GLN 41 1HG GLN 41 7.152 8.653 -11.857 83 1HE2 GLN 41 1HE2 GLN 41 5.300 9.892 -12.308 84 2HE2 GLN 41 2HE2 GLN 41 4.283 10.557 -11.122 85 H LEU 42 H LEU 42 7.638 4.901 -11.201 86 HA LEU 42 HA LEU 42 7.101 5.607 -13.948 87 1HB LEU 42 2HB LEU 42 8.341 3.143 -12.699 88 2HB LEU 42 1HB LEU 42 8.266 3.435 -14.419 89 HG LEU 42 HG LEU 42 10.132 4.687 -14.359 90 1HD1 LEU 42 1HD1 LEU 42 8.747 6.650 -13.589 91 2HD1 LEU 42 2HD1 LEU 42 10.429 6.700 -13.075 92 3HD1 LEU 42 3HD1 LEU 42 9.179 6.230 -11.933 93 1HD2 LEU 42 1HD2 LEU 42 11.332 4.747 -12.023 94 2HD2 LEU 42 2HD2 LEU 42 11.120 3.212 -12.865 95 3HD2 LEU 42 3HD2 LEU 42 10.031 3.654 -11.550 96 H ARG 43 H ARG 43 5.994 3.025 -11.741 97 HA ARG 43 HA ARG 43 4.417 1.626 -13.657 98 1HB ARG 43 2HB ARG 43 3.305 0.600 -11.760 99 2HB ARG 43 1HB ARG 43 5.011 0.751 -11.391 100 1HG ARG 43 2HG ARG 43 4.539 2.816 -10.119 101 2HG ARG 43 1HG ARG 43 2.820 2.605 -10.435 102 1HD ARG 43 2HD ARG 43 3.006 0.319 -9.358 103 2HD ARG 43 1HD ARG 43 4.633 0.771 -8.849 104 HE ARG 43 HE ARG 43 3.667 2.109 -7.178 105 1HH1 ARG 43 1HH2 ARG 43 1.313 1.458 -9.682 106 2HH1 ARG 43 2HH2 ARG 43 0.030 2.228 -8.815 107 1HH2 ARG 43 2HH1 ARG 43 1.980 3.095 -6.093 108 2HH2 ARG 43 1HH1 ARG 43 0.401 3.146 -6.804 109 H LYS 44 H LYS 44 3.622 4.365 -11.500 110 HA LYS 44 HA LYS 44 0.881 4.460 -12.289 111 1HB LYS 44 2HB LYS 44 0.817 6.645 -11.250 112 2HB LYS 44 1HB LYS 44 1.797 5.593 -10.245 113 1HG LYS 44 2HG LYS 44 3.813 6.619 -10.950 114 2HG LYS 44 1HG LYS 44 3.048 7.391 -12.331 115 1HD LYS 44 2HD LYS 44 1.897 8.074 -9.687 116 2HD LYS 44 1HD LYS 44 3.523 8.679 -9.996 117 1HE LYS 44 2HE LYS 44 1.872 10.323 -10.751 118 2HE LYS 44 1HE LYS 44 2.731 9.655 -12.139 119 1HZ LYS 44 1HZ LYS 44 0.099 8.692 -11.157 120 2HZ LYS 44 2HZ LYS 44 0.911 8.170 -12.554 121 3HZ LYS 44 3HZ LYS 44 0.309 9.757 -12.461 122 H ASP 45 H ASP 45 3.868 5.726 -13.638 123 HA ASP 45 HA ASP 45 2.715 7.540 -15.513 124 1HB ASP 45 2HB ASP 45 5.320 6.042 -15.403 125 2HB ASP 45 1HB ASP 45 4.902 7.020 -16.799 126 H ILE 46 H ILE 46 3.600 4.072 -15.768 127 HA ILE 46 HA ILE 46 2.794 3.792 -18.501 128 HB ILE 46 HB ILE 46 4.168 2.116 -17.188 129 1HG1 ILE 46 2HG1 ILE 46 1.726 0.994 -18.589 130 2HG1 ILE 46 1HG1 ILE 46 3.121 1.685 -19.418 131 1HG2 ILE 46 1HG2 ILE 46 3.227 1.477 -15.224 132 2HG2 ILE 46 2HG2 ILE 46 2.404 0.292 -16.230 133 3HG2 ILE 46 3HG2 ILE 46 1.585 1.777 -15.772 134 1HD1 ILE 46 1HD1 ILE 46 3.703 -0.399 -17.380 135 2HD1 ILE 46 2HD1 ILE 46 4.464 -0.109 -18.944 136 3HD1 ILE 46 3HD1 ILE 46 2.915 -0.948 -18.860 137 H LEU 47 H LEU 47 0.975 3.862 -15.503 138 HA LEU 47 HA LEU 47 -1.486 2.812 -16.557 139 1HB LEU 47 2HB LEU 47 -0.757 4.508 -14.175 140 2HB LEU 47 1HB LEU 47 -2.445 4.222 -14.585 141 HG LEU 47 HG LEU 47 -0.619 1.862 -14.494 142 1HD1 LEU 47 1HD1 LEU 47 0.066 2.638 -12.419 143 2HD1 LEU 47 2HD1 LEU 47 -1.415 1.796 -11.963 144 3HD1 LEU 47 3HD1 LEU 47 -1.421 3.549 -12.154 145 1HD2 LEU 47 1HD2 LEU 47 -2.813 1.002 -13.367 146 2HD2 LEU 47 2HD2 LEU 47 -2.828 1.328 -15.100 147 3HD2 LEU 47 3HD2 LEU 47 -3.518 2.499 -13.977 148 H GLU 48 H GLU 48 -0.254 6.119 -16.050 149 HA GLU 48 HA GLU 48 -2.490 7.437 -17.289 150 1HB GLU 48 2HB GLU 48 0.359 8.456 -17.162 151 2HB GLU 48 1HB GLU 48 -1.110 9.417 -17.320 152 1HG GLU 48 2HG GLU 48 -0.441 7.684 -14.935 153 2HG GLU 48 1HG GLU 48 -0.197 9.420 -15.018 154 H VAL 49 H VAL 49 0.622 6.211 -18.406 155 HA VAL 49 HA VAL 49 0.526 7.265 -21.029 156 HB VAL 49 HB VAL 49 1.785 4.685 -20.030 157 1HG1 VAL 49 1HG1 VAL 49 2.447 6.221 -22.558 158 2HG1 VAL 49 2HG1 VAL 49 1.410 4.797 -22.536 159 3HG1 VAL 49 3HG1 VAL 49 3.098 4.663 -22.050 160 1HG2 VAL 49 1HG2 VAL 49 3.410 7.059 -20.758 161 2HG2 VAL 49 2HG2 VAL 49 3.595 5.939 -19.409 162 3HG2 VAL 49 3HG2 VAL 49 2.410 7.241 -19.318 163 H ILE 50 H ILE 50 -0.460 3.993 -19.880 164 HA ILE 50 HA ILE 50 -1.677 3.129 -22.299 165 HB ILE 50 HB ILE 50 -2.568 2.481 -19.471 166 1HG1 ILE 50 2HG1 ILE 50 -0.823 0.698 -21.118 167 2HG1 ILE 50 1HG1 ILE 50 -0.075 2.089 -20.335 168 1HG2 ILE 50 1HG2 ILE 50 -4.172 1.851 -21.273 169 2HG2 ILE 50 2HG2 ILE 50 -3.478 0.444 -20.468 170 3HG2 ILE 50 3HG2 ILE 50 -2.888 0.931 -22.058 171 1HD1 ILE 50 1HD1 ILE 50 -0.008 0.053 -18.903 172 2HD1 ILE 50 2HD1 ILE 50 -1.770 0.013 -18.917 173 3HD1 ILE 50 3HD1 ILE 50 -0.926 1.362 -18.159 174 H CYS 51 H CYS 51 -2.724 5.465 -19.940 175 HA CYS 51 HA CYS 51 -5.502 5.500 -20.731 176 1HB CYS 51 2HB CYS 51 -4.430 6.380 -18.529 177 2HB CYS 51 1HB CYS 51 -4.038 7.818 -19.473 178 HG CYS 51 HG CYS 51 -6.555 7.714 -18.235 179 H LYS 52 H LYS 52 -2.643 7.479 -21.491 180 HA LYS 52 HA LYS 52 -3.883 9.379 -23.187 181 1HB LYS 52 2HB LYS 52 -1.108 8.199 -23.492 182 2HB LYS 52 1HB LYS 52 -1.667 9.720 -24.180 183 1HG LYS 52 2HG LYS 52 -1.759 10.779 -22.092 184 2HG LYS 52 1HG LYS 52 -1.828 9.251 -21.212 185 1HD LYS 52 2HD LYS 52 0.398 9.682 -20.873 186 2HD LYS 52 1HD LYS 52 0.550 8.937 -22.464 187 1HE LYS 52 2HE LYS 52 1.757 10.979 -22.625 188 2HE LYS 52 1HE LYS 52 0.216 11.294 -23.424 189 1HZ LYS 52 1HZ LYS 52 -0.601 12.372 -21.483 190 2HZ LYS 52 2HZ LYS 52 0.918 13.045 -21.837 191 3HZ LYS 52 3HZ LYS 52 0.759 11.920 -20.575 192 H TYR 53 H TYR 53 -2.826 6.085 -23.834 193 HA TYR 53 HA TYR 53 -3.581 6.368 -26.690 194 1HB TYR 53 2HB TYR 53 -2.142 4.149 -25.205 195 2HB TYR 53 1HB TYR 53 -2.450 4.180 -26.930 196 HD1 TYR 53 HD1 TYR 53 -0.727 4.935 -28.313 197 HD2 TYR 53 HD2 TYR 53 -0.956 6.397 -24.289 198 HE1 TYR 53 HE1 TYR 53 1.394 6.186 -28.633 199 HE2 TYR 53 HE2 TYR 53 1.148 7.646 -24.605 200 HH TYR 53 HH TYR 53 2.382 8.630 -26.796 201 H VAL 54 H VAL 54 -4.800 5.146 -23.697 202 HA VAL 54 HA VAL 54 -7.087 3.925 -25.110 203 HB VAL 54 HB VAL 54 -5.791 2.243 -22.966 204 1HG1 VAL 54 1HG1 VAL 54 -8.144 1.935 -24.043 205 2HG1 VAL 54 2HG1 VAL 54 -7.105 0.521 -23.875 206 3HG1 VAL 54 3HG1 VAL 54 -7.249 1.328 -25.436 207 1HG2 VAL 54 1HG2 VAL 54 -4.006 2.633 -24.650 208 2HG2 VAL 54 2HG2 VAL 54 -5.108 2.114 -25.926 209 3HG2 VAL 54 3HG2 VAL 54 -4.579 0.966 -24.696 210 H GLN 55 H GLN 55 -7.642 2.631 -22.235 211 HA GLN 55 HA GLN 55 -7.837 4.855 -20.438 212 1HB GLN 55 2HB GLN 55 -9.832 4.735 -22.482 213 2HB GLN 55 1HB GLN 55 -10.605 4.346 -20.947 214 1HG GLN 55 2HG GLN 55 -9.581 6.391 -19.954 215 2HG GLN 55 1HG GLN 55 -8.920 6.797 -21.538 216 1HE2 GLN 55 1HE2 GLN 55 -12.102 5.982 -20.032 217 2HE2 GLN 55 2HE2 GLN 55 -12.996 7.051 -21.003 218 H ILE 56 H ILE 56 -7.418 3.611 -18.703 219 HA ILE 56 HA ILE 56 -9.353 1.457 -18.018 220 HB ILE 56 HB ILE 56 -7.288 0.184 -17.084 221 1HG1 ILE 56 2HG1 ILE 56 -5.734 1.247 -19.365 222 2HG1 ILE 56 1HG1 ILE 56 -5.929 2.379 -18.027 223 1HG2 ILE 56 1HG2 ILE 56 -8.819 -0.180 -19.239 224 2HG2 ILE 56 2HG2 ILE 56 -7.414 -1.196 -18.912 225 3HG2 ILE 56 3HG2 ILE 56 -7.291 0.134 -20.063 226 1HD1 ILE 56 1HD1 ILE 56 -4.089 1.261 -17.226 227 2HD1 ILE 56 2HD1 ILE 56 -4.463 -0.211 -18.122 228 3HD1 ILE 56 3HD1 ILE 56 -5.323 0.153 -16.626 229 H ASP 57 H ASP 57 -9.083 0.848 -15.653 230 HA ASP 57 HA ASP 57 -8.638 3.328 -14.095 231 1HB ASP 57 2HB ASP 57 -10.029 0.706 -13.536 232 2HB ASP 57 1HB ASP 57 -9.648 1.832 -12.232 233 HA PRO 58 HA PRO 58 -4.861 1.840 -12.314 234 1HB PRO 58 2HB PRO 58 -5.012 2.810 -9.761 235 2HB PRO 58 1HB PRO 58 -4.689 3.830 -11.171 236 1HG PRO 58 2HG PRO 58 -7.187 3.526 -9.592 237 2HG PRO 58 1HG PRO 58 -6.554 4.943 -10.444 238 1HD PRO 58 2HD PRO 58 -8.598 3.293 -11.382 239 2HD PRO 58 1HD PRO 58 -7.628 4.390 -12.390 240 H GLU 59 H GLU 59 -7.850 1.155 -10.599 241 HA GLU 59 HA GLU 59 -6.752 -0.928 -8.905 242 1HB GLU 59 2HB GLU 59 -9.614 -0.464 -9.802 243 2HB GLU 59 1HB GLU 59 -9.102 -1.492 -8.463 244 1HG GLU 59 2HG GLU 59 -8.557 0.300 -7.107 245 2HG GLU 59 1HG GLU 59 -8.186 1.354 -8.473 246 H MET 60 H MET 60 -7.321 -0.757 -12.261 247 HA MET 60 HA MET 60 -8.000 -3.606 -12.571 248 1HB MET 60 2HB MET 60 -7.634 -1.268 -14.442 249 2HB MET 60 1HB MET 60 -7.680 -2.914 -15.064 250 1HG MET 60 2HG MET 60 -9.821 -2.238 -13.130 251 2HG MET 60 1HG MET 60 -9.902 -1.382 -14.669 252 1HE MET 60 1HE MET 60 -9.330 -2.473 -16.792 253 2HE MET 60 2HE MET 60 -11.088 -2.563 -16.841 254 3HE MET 60 3HE MET 60 -10.128 -3.953 -17.342 255 H VAL 61 H VAL 61 -5.184 -1.567 -12.469 256 HA VAL 61 HA VAL 61 -3.518 -3.650 -13.779 257 HB VAL 61 HB VAL 61 -2.714 -0.901 -12.778 258 1HG1 VAL 61 1HG1 VAL 61 -1.335 -2.504 -14.914 259 2HG1 VAL 61 2HG1 VAL 61 -1.010 -2.851 -13.215 260 3HG1 VAL 61 3HG1 VAL 61 -0.675 -1.247 -13.869 261 1HG2 VAL 61 1HG2 VAL 61 -4.123 -0.287 -14.494 262 2HG2 VAL 61 2HG2 VAL 61 -3.987 -1.848 -15.304 263 3HG2 VAL 61 3HG2 VAL 61 -2.693 -0.660 -15.456 264 H THR 62 H THR 62 -2.222 -4.974 -12.558 265 HA THR 62 HA THR 62 -2.243 -4.580 -9.634 266 HB THR 62 HB THR 62 -1.129 -6.989 -11.052 267 HG1 THR 62 HG1 THR 62 -3.161 -7.822 -11.151 268 1HG2 THR 62 1HG2 THR 62 -1.954 -8.090 -8.960 269 2HG2 THR 62 2HG2 THR 62 -2.421 -6.499 -8.358 270 3HG2 THR 62 3HG2 THR 62 -0.723 -6.862 -8.667 271 H VAL 63 H VAL 63 -0.225 -4.889 -8.432 272 HA VAL 63 HA VAL 63 2.280 -4.538 -9.984 273 HB VAL 63 HB VAL 63 1.461 -2.714 -7.707 274 1HG1 VAL 63 1HG1 VAL 63 3.934 -3.263 -8.066 275 2HG1 VAL 63 2HG1 VAL 63 3.511 -1.553 -8.133 276 3HG1 VAL 63 3HG1 VAL 63 3.789 -2.451 -9.624 277 1HG2 VAL 63 1HG2 VAL 63 0.141 -2.091 -9.590 278 2HG2 VAL 63 2HG2 VAL 63 1.482 -2.350 -10.706 279 3HG2 VAL 63 3HG2 VAL 63 1.512 -0.983 -9.593 280 H GLN 64 H GLN 64 3.545 -6.156 -9.220 281 HA GLN 64 HA GLN 64 3.519 -6.673 -6.285 282 1HB GLN 64 2HB GLN 64 3.887 -9.097 -6.844 283 2HB GLN 64 1HB GLN 64 2.309 -8.488 -7.342 284 1HG GLN 64 2HG GLN 64 4.214 -8.037 -9.466 285 2HG GLN 64 1HG GLN 64 4.285 -9.724 -8.972 286 1HE2 GLN 64 1HE2 GLN 64 1.798 -7.209 -9.732 287 2HE2 GLN 64 2HE2 GLN 64 0.728 -8.294 -10.480 288 H LEU 65 H LEU 65 5.495 -6.218 -5.472 289 HA LEU 65 HA LEU 65 7.835 -6.222 -7.256 290 1HB LEU 65 2HB LEU 65 8.963 -5.120 -5.355 291 2HB LEU 65 1HB LEU 65 7.502 -4.271 -5.836 292 HG LEU 65 HG LEU 65 6.714 -6.218 -3.912 293 1HD1 LEU 65 1HD1 LEU 65 9.313 -5.966 -3.443 294 2HD1 LEU 65 2HD1 LEU 65 8.157 -6.028 -2.111 295 3HD1 LEU 65 3HD1 LEU 65 8.798 -4.475 -2.653 296 1HD2 LEU 65 1HD2 LEU 65 6.266 -4.114 -2.551 297 2HD2 LEU 65 2HD2 LEU 65 5.566 -4.120 -4.169 298 3HD2 LEU 65 3HD2 LEU 65 7.040 -3.205 -3.850 299 H GLU 66 H GLU 66 9.397 -7.759 -7.196 300 HA GLU 66 HA GLU 66 9.368 -9.702 -4.914 301 1HB GLU 66 2HB GLU 66 10.208 -10.467 -7.703 302 2HB GLU 66 1HB GLU 66 9.725 -11.521 -6.383 303 1HG GLU 66 2HG GLU 66 7.892 -9.638 -7.902 304 2HG GLU 66 1HG GLU 66 7.952 -11.389 -8.093 305 H GLN 67 H GLN 67 11.602 -11.005 -5.064 306 HA GLN 67 HA GLN 67 13.820 -9.299 -5.986 307 1HB GLN 67 2HB GLN 67 13.453 -10.024 -3.063 308 2HB GLN 67 1HB GLN 67 14.896 -9.274 -3.746 309 1HG GLN 67 2HG GLN 67 13.421 -7.398 -4.578 310 2HG GLN 67 1HG GLN 67 12.103 -8.107 -3.643 311 1HE2 GLN 67 1HE2 GLN 67 11.878 -6.916 -1.744 312 2HE2 GLN 67 2HE2 GLN 67 13.163 -6.381 -0.772 313 H LYS 68 H LYS 68 15.835 -10.440 -6.077 314 HA LYS 68 HA LYS 68 15.506 -13.401 -5.940 315 1HB LYS 68 2HB LYS 68 17.042 -11.575 -7.713 316 2HB LYS 68 1HB LYS 68 17.758 -13.141 -7.356 317 1HG LYS 68 2HG LYS 68 16.431 -14.040 -8.938 318 2HG LYS 68 1HG LYS 68 15.045 -13.678 -7.910 319 1HD LYS 68 2HD LYS 68 14.501 -12.567 -9.902 320 2HD LYS 68 1HD LYS 68 15.225 -11.281 -8.936 321 1HE LYS 68 2HE LYS 68 16.402 -11.015 -10.915 322 2HE LYS 68 1HE LYS 68 17.463 -12.142 -10.070 323 1HZ LYS 68 1HZ LYS 68 16.388 -13.969 -11.215 324 2HZ LYS 68 2HZ LYS 68 17.015 -12.858 -12.337 325 3HZ LYS 68 3HZ LYS 68 15.348 -12.894 -12.015 326 H ASP 69 H ASP 69 17.869 -14.431 -5.633 327 HA ASP 69 HA ASP 69 18.748 -13.563 -3.000 328 1HB ASP 69 2HB ASP 69 20.308 -15.511 -3.185 329 2HB ASP 69 1HB ASP 69 18.622 -15.945 -3.463 330 H GLY 70 H GLY 70 19.662 -12.778 -6.210 331 1HA GLY 70 2HA GLY 70 22.446 -12.118 -5.430 332 2HA GLY 70 1HA GLY 70 21.799 -12.070 -7.069 333 H ASP 71 H ASP 71 20.126 -10.629 -4.336 334 HA ASP 71 HA ASP 71 19.532 -8.409 -3.894 335 1HB ASP 71 2HB ASP 71 22.313 -8.120 -5.017 336 2HB ASP 71 1HB ASP 71 21.362 -6.697 -4.601 337 H ILE 72 H ILE 72 18.300 -9.454 -6.070 338 HA ILE 72 HA ILE 72 18.271 -7.168 -7.997 339 HB ILE 72 HB ILE 72 17.654 -10.041 -8.702 340 1HG1 ILE 72 2HG1 ILE 72 20.260 -8.501 -8.886 341 2HG1 ILE 72 1HG1 ILE 72 19.973 -10.000 -8.017 342 1HG2 ILE 72 1HG2 ILE 72 17.676 -9.271 -10.943 343 2HG2 ILE 72 2HG2 ILE 72 18.462 -7.757 -10.496 344 3HG2 ILE 72 3HG2 ILE 72 16.779 -8.041 -10.052 345 1HD1 ILE 72 1HD1 ILE 72 20.839 -10.970 -9.887 346 2HD1 ILE 72 2HD1 ILE 72 20.481 -9.571 -10.900 347 3HD1 ILE 72 3HD1 ILE 72 19.212 -10.738 -10.528 348 H SER 73 H SER 73 16.269 -6.258 -8.261 349 HA SER 73 HA SER 73 13.995 -7.539 -6.843 350 1HB SER 73 2HB SER 73 14.316 -4.733 -7.943 351 2HB SER 73 1HB SER 73 12.913 -5.318 -7.052 352 HG SER 73 HG SER 73 15.595 -5.275 -6.108 353 H ILE 74 H ILE 74 12.063 -8.029 -7.888 354 HA ILE 74 HA ILE 74 12.070 -7.770 -10.872 355 HB ILE 74 HB ILE 74 10.679 -10.004 -9.422 356 1HG1 ILE 74 2HG1 ILE 74 13.042 -10.091 -8.686 357 2HG1 ILE 74 1HG1 ILE 74 12.658 -11.439 -9.753 358 1HG2 ILE 74 1HG2 ILE 74 10.229 -9.473 -11.830 359 2HG2 ILE 74 2HG2 ILE 74 10.810 -11.113 -11.543 360 3HG2 ILE 74 3HG2 ILE 74 11.910 -9.886 -12.172 361 1HD1 ILE 74 1HD1 ILE 74 14.688 -9.467 -10.071 362 2HD1 ILE 74 2HD1 ILE 74 13.515 -9.233 -11.365 363 3HD1 ILE 74 3HD1 ILE 74 14.292 -10.800 -11.155 364 H LEU 75 H LEU 75 10.836 -5.754 -10.411 365 HA LEU 75 HA LEU 75 8.269 -5.980 -9.086 366 1HB LEU 75 2HB LEU 75 9.702 -3.886 -9.164 367 2HB LEU 75 1HB LEU 75 9.203 -3.710 -10.843 368 HG LEU 75 HG LEU 75 6.982 -4.198 -8.956 369 1HD1 LEU 75 1HD1 LEU 75 7.230 -1.509 -8.588 370 2HD1 LEU 75 2HD1 LEU 75 8.924 -2.000 -8.544 371 3HD1 LEU 75 3HD1 LEU 75 7.771 -2.712 -7.416 372 1HD2 LEU 75 1HD2 LEU 75 5.815 -2.903 -10.474 373 2HD2 LEU 75 2HD2 LEU 75 7.127 -3.443 -11.520 374 3HD2 LEU 75 3HD2 LEU 75 7.189 -1.841 -10.784 375 H GLU 76 H GLU 76 6.740 -7.166 -10.072 376 HA GLU 76 HA GLU 76 6.390 -6.904 -13.022 377 1HB GLU 76 2HB GLU 76 5.099 -8.917 -11.155 378 2HB GLU 76 1HB GLU 76 5.157 -8.982 -12.915 379 1HG GLU 76 2HG GLU 76 7.451 -9.520 -12.943 380 2HG GLU 76 1HG GLU 76 7.706 -8.927 -11.304 381 H LEU 77 H LEU 77 4.389 -6.179 -13.846 382 HA LEU 77 HA LEU 77 2.312 -5.454 -11.834 383 1HB LEU 77 2HB LEU 77 1.904 -3.339 -13.169 384 2HB LEU 77 1HB LEU 77 3.419 -3.364 -12.268 385 HG LEU 77 HG LEU 77 3.415 -4.357 -15.092 386 1HD1 LEU 77 1HD1 LEU 77 3.787 -1.435 -14.462 387 2HD1 LEU 77 2HD1 LEU 77 2.197 -2.076 -14.877 388 3HD1 LEU 77 3HD1 LEU 77 3.526 -2.199 -16.030 389 1HD2 LEU 77 1HD2 LEU 77 5.656 -2.884 -14.742 390 2HD2 LEU 77 2HD2 LEU 77 5.549 -4.576 -14.261 391 3HD2 LEU 77 3HD2 LEU 77 5.321 -3.305 -13.062 392 H ASN 78 H ASN 78 0.325 -6.165 -12.443 393 HA ASN 78 HA ASN 78 0.036 -7.394 -15.106 394 1HB ASN 78 2HB ASN 78 -2.022 -7.229 -12.904 395 2HB ASN 78 1HB ASN 78 -1.953 -8.376 -14.226 396 1HD2 ASN 78 1HD2 ASN 78 1.072 -8.725 -13.833 397 2HD2 ASN 78 2HD2 ASN 78 1.204 -9.708 -12.458 398 H VAL 79 H VAL 79 -1.390 -6.632 -16.671 399 HA VAL 79 HA VAL 79 -2.758 -4.045 -16.043 400 HB VAL 79 HB VAL 79 -1.681 -4.887 -18.747 401 1HG1 VAL 79 1HG1 VAL 79 -2.240 -2.082 -17.868 402 2HG1 VAL 79 2HG1 VAL 79 -3.605 -3.118 -18.286 403 3HG1 VAL 79 3HG1 VAL 79 -2.347 -2.792 -19.479 404 1HG2 VAL 79 1HG2 VAL 79 0.095 -4.556 -16.950 405 2HG2 VAL 79 2HG2 VAL 79 -0.467 -2.889 -16.815 406 3HG2 VAL 79 3HG2 VAL 79 0.222 -3.468 -18.331 407 H THR 80 H THR 80 -4.782 -4.937 -15.613 408 HA THR 80 HA THR 80 -5.971 -6.852 -17.503 409 HB THR 80 HB THR 80 -7.201 -5.516 -15.075 410 HG1 THR 80 HG1 THR 80 -6.213 -6.972 -13.939 411 1HG2 THR 80 1HG2 THR 80 -9.050 -6.420 -16.071 412 2HG2 THR 80 2HG2 THR 80 -8.440 -7.909 -15.350 413 3HG2 THR 80 3HG2 THR 80 -8.103 -7.546 -17.042 414 H LEU 81 H LEU 81 -6.290 -5.678 -19.428 415 HA LEU 81 HA LEU 81 -7.702 -3.112 -19.375 416 1HB LEU 81 2HB LEU 81 -6.883 -4.925 -21.669 417 2HB LEU 81 1HB LEU 81 -7.538 -3.302 -21.846 418 HG LEU 81 HG LEU 81 -5.163 -3.682 -20.070 419 1HD1 LEU 81 1HD1 LEU 81 -4.783 -4.909 -22.287 420 2HD1 LEU 81 2HD1 LEU 81 -3.617 -3.649 -21.882 421 3HD1 LEU 81 3HD1 LEU 81 -4.891 -3.327 -23.060 422 1HD2 LEU 81 1HD2 LEU 81 -4.747 -1.435 -21.507 423 2HD2 LEU 81 2HD2 LEU 81 -5.735 -1.454 -20.048 424 3HD2 LEU 81 3HD2 LEU 81 -6.503 -1.530 -21.633 425 HA PRO 82 HA PRO 82 -11.680 -5.170 -19.667 426 1HB PRO 82 2HB PRO 82 -13.209 -2.944 -20.054 427 2HB PRO 82 1HB PRO 82 -12.507 -3.380 -18.489 428 1HG PRO 82 2HG PRO 82 -11.758 -1.214 -20.334 429 2HG PRO 82 1HG PRO 82 -11.466 -1.367 -18.596 430 1HD PRO 82 2HD PRO 82 -9.601 -1.838 -20.715 431 2HD PRO 82 1HD PRO 82 -9.350 -2.094 -18.974 432 H GLU 83 H GLU 83 -13.674 -5.058 -21.207 433 HA GLU 83 HA GLU 83 -12.853 -5.653 -23.861 434 1HB GLU 83 2HB GLU 83 -15.390 -5.389 -22.390 435 2HB GLU 83 1HB GLU 83 -15.526 -5.028 -24.110 436 1HG GLU 83 2HG GLU 83 -14.384 -7.187 -24.616 437 2HG GLU 83 1HG GLU 83 -14.387 -7.556 -22.891 438 H ALA 84 H ALA 84 -14.037 -4.436 -25.782 439 HA ALA 84 HA ALA 84 -14.542 -1.649 -25.638 440 1HB ALA 84 1HB ALA 84 -11.907 -2.006 -25.177 441 2HB ALA 84 2HB ALA 84 -12.536 -0.602 -26.037 442 3HB ALA 84 3HB ALA 84 -11.885 -1.970 -26.940 443 H GLU 85 H GLU 85 -15.416 -1.002 -27.593 444 HA GLU 85 HA GLU 85 -14.637 -1.958 -30.156 445 1HB GLU 85 2HB GLU 85 -16.686 -3.380 -30.623 446 2HB GLU 85 1HB GLU 85 -15.498 -4.118 -29.552 447 1HG GLU 85 2HG GLU 85 -16.946 -4.175 -27.815 448 2HG GLU 85 1HG GLU 85 -17.454 -2.509 -28.082 449 H GLU 86 H GLU 86 -15.157 -0.152 -31.269 450 HA GLU 86 HA GLU 86 -16.391 1.656 -32.099 451 1HB GLU 86 2HB GLU 86 -18.009 -0.438 -32.368 452 2HB GLU 86 1HB GLU 86 -18.944 0.421 -31.144 453 1HG GLU 86 2HG GLU 86 -18.878 2.463 -32.572 454 2HG GLU 86 1HG GLU 86 -18.041 1.533 -33.816 455 H LEU 87 H LEU 87 -15.334 2.557 -29.962 456 HA LEU 87 HA LEU 87 -17.549 3.755 -28.351 457 1HB LEU 87 2HB LEU 87 -16.014 3.706 -26.379 458 2HB LEU 87 1HB LEU 87 -16.446 2.092 -26.947 459 HG LEU 87 HG LEU 87 -14.020 3.317 -28.157 460 1HD1 LEU 87 1HD1 LEU 87 -12.642 2.591 -26.205 461 2HD1 LEU 87 2HD1 LEU 87 -14.127 2.304 -25.299 462 3HD1 LEU 87 3HD1 LEU 87 -13.711 3.938 -25.816 463 1HD2 LEU 87 1HD2 LEU 87 -13.335 1.076 -28.325 464 2HD2 LEU 87 2HD2 LEU 87 -15.087 0.952 -28.497 465 3HD2 LEU 87 3HD2 LEU 87 -14.323 0.573 -26.953 466 H LYS 88 HN LYS 88 -16.636 5.779 -27.145 467 HA LYS 88 HA LYS 88 -14.567 7.167 -28.775 468 1HB LYS 88 2HB LYS 88 -17.319 8.274 -28.133 469 2HB LYS 88 1HB LYS 88 -16.007 9.193 -28.871 470 1HG LYS 88 2HG LYS 88 -16.024 7.105 -30.554 471 2HG LYS 88 1HG LYS 88 -17.712 7.048 -30.045 472 1HD LYS 88 2HD LYS 88 -18.154 9.224 -30.845 473 2HD LYS 88 1HD LYS 88 -16.441 9.638 -30.920 474 1HE LYS 88 2HE LYS 88 -17.184 9.236 -33.180 475 2HE LYS 88 1HE LYS 88 -16.175 7.870 -32.702 476 1HZ LYS 88 1HZ LYS 88 -19.137 7.984 -32.786 477 2HZ LYS 88 2HZ LYS 88 -18.272 6.722 -32.048 478 3HZ LYS 88 3HZ LYS 88 -18.113 7.002 -33.716 479 1H ARG 31 1H ARG 31 3.605 -11.245 -34.380 480 2H ARG 31 2H ARG 31 3.861 -12.222 -33.012 481 3H ARG 31 3H ARG 31 5.174 -11.461 -33.775 482 HA ARG 31 HA ARG 31 4.562 -10.318 -31.726 483 1HB ARG 31 2HB ARG 31 5.228 -9.211 -34.104 484 2HB ARG 31 1HB ARG 31 3.667 -8.432 -33.843 485 1HG ARG 31 2HG ARG 31 4.929 -6.950 -32.639 486 2HG ARG 31 1HG ARG 31 4.731 -8.157 -31.368 487 1HD ARG 31 2HD ARG 31 6.869 -9.219 -32.583 488 2HD ARG 31 1HD ARG 31 7.124 -7.535 -33.038 489 HE ARG 31 HE ARG 31 6.562 -7.558 -30.270 490 1HH1 ARG 31 1HH2 ARG 31 9.008 -8.769 -32.458 491 2HH1 ARG 31 2HH2 ARG 31 10.255 -8.697 -31.262 492 1HH2 ARG 31 1HH1 ARG 31 8.208 -7.482 -28.755 493 2HH2 ARG 31 2HH1 ARG 31 9.809 -7.976 -29.189 494 H SER 32 H SER 32 2.625 -11.378 -30.850 495 HA SER 32 HA SER 32 -0.018 -10.888 -31.779 496 1HB SER 32 2HB SER 32 0.641 -11.235 -28.864 497 2HB SER 32 1HB SER 32 -0.760 -11.825 -29.755 498 HG SER 32 HG SER 32 1.850 -12.815 -29.621 499 H ASP 33 H ASP 33 2.185 -8.860 -29.993 500 HA ASP 33 HA ASP 33 0.073 -7.082 -29.041 501 1HB ASP 33 2HB ASP 33 3.052 -6.574 -29.048 502 2HB ASP 33 1HB ASP 33 1.833 -5.771 -28.059 503 H ALA 34 H ALA 34 1.038 -7.568 -32.078 504 HA ALA 34 HA ALA 34 1.514 -4.773 -32.824 505 1HB ALA 34 1HB ALA 34 2.805 -6.533 -33.952 506 2HB ALA 34 2HB ALA 34 1.778 -5.680 -35.105 507 3HB ALA 34 3HB ALA 34 1.307 -7.275 -34.515 508 H GLU 35 H GLU 35 -1.197 -6.545 -32.093 509 HA GLU 35 HA GLU 35 -2.904 -5.742 -34.304 510 1HB GLU 35 2HB GLU 35 -3.733 -6.729 -31.560 511 2HB GLU 35 1HB GLU 35 -4.716 -6.709 -33.018 512 1HG GLU 35 2HG GLU 35 -2.151 -8.100 -33.382 513 2HG GLU 35 1HG GLU 35 -3.177 -8.843 -32.156 514 HA PRO 36 HA PRO 36 -4.378 -2.389 -31.200 515 1HB PRO 36 2HB PRO 36 -2.946 -1.994 -28.910 516 2HB PRO 36 1HB PRO 36 -4.278 -3.152 -29.032 517 1HG PRO 36 2HG PRO 36 -1.386 -3.637 -28.837 518 2HG PRO 36 1HG PRO 36 -2.738 -4.705 -28.440 519 1HD PRO 36 2HD PRO 36 -1.115 -4.767 -30.785 520 2HD PRO 36 1HD PRO 36 -2.529 -5.763 -30.433 521 H HIS 37 H HIS 37 -0.832 -2.740 -31.059 522 HA HIS 37 HA HIS 37 0.866 -1.356 -31.863 523 1HB HIS 37 2HB HIS 37 -0.936 -0.820 -33.679 524 2HB HIS 37 1HB HIS 37 -1.128 0.693 -32.794 525 HD1 HIS 37 HD1 HIS 37 0.416 2.504 -33.520 526 HD2 HIS 37 HD2 HIS 37 2.022 -1.265 -34.286 527 HE1 HIS 37 HE1 HIS 37 2.630 2.893 -34.685 528 H TYR 38 H TYR 38 -1.231 -0.613 -29.408 529 HA TYR 38 HA TYR 38 0.376 1.785 -28.652 530 1HB TYR 38 2HB TYR 38 -1.628 2.377 -27.187 531 2HB TYR 38 1HB TYR 38 -1.874 2.552 -28.922 532 HD1 TYR 38 HD1 TYR 38 -3.388 1.114 -30.133 533 HD2 TYR 38 HD2 TYR 38 -2.607 0.453 -25.962 534 HE1 TYR 38 HE1 TYR 38 -5.308 -0.451 -30.023 535 HE2 TYR 38 HE2 TYR 38 -4.529 -1.113 -25.852 536 HH TYR 38 HH TYR 38 -6.059 -2.341 -28.626 537 H LEU 39 H LEU 39 -1.111 -1.240 -27.602 538 HA LEU 39 HA LEU 39 -0.517 -1.221 -24.865 539 1HB LEU 39 2HB LEU 39 -1.330 -3.125 -26.798 540 2HB LEU 39 1HB LEU 39 0.057 -3.831 -25.975 541 HG LEU 39 HG LEU 39 -1.989 -4.435 -24.777 542 1HD1 LEU 39 1HD1 LEU 39 -0.835 -2.261 -23.055 543 2HD1 LEU 39 2HD1 LEU 39 0.198 -3.603 -23.551 544 3HD1 LEU 39 3HD1 LEU 39 -1.268 -3.915 -22.622 545 1HD2 LEU 39 1HD2 LEU 39 -3.595 -2.828 -25.283 546 2HD2 LEU 39 2HD2 LEU 39 -2.490 -1.484 -25.002 547 3HD2 LEU 39 3HD2 LEU 39 -3.168 -2.368 -23.635 548 HA PRO 40 HA PRO 40 3.906 -2.897 -25.822 549 1HB PRO 40 2HB PRO 40 4.818 -2.710 -28.395 550 2HB PRO 40 1HB PRO 40 4.003 -4.138 -27.740 551 1HG PRO 40 2HG PRO 40 2.967 -2.048 -29.573 552 2HG PRO 40 1HG PRO 40 2.550 -3.761 -29.455 553 1HD PRO 40 2HD PRO 40 1.011 -1.664 -28.466 554 2HD PRO 40 1HD PRO 40 0.861 -3.363 -27.968 555 H GLN 41 H GLN 41 2.600 -0.030 -27.258 556 HA GLN 41 HA GLN 41 5.110 1.450 -27.394 557 1HB GLN 41 2HB GLN 41 3.201 2.064 -28.830 558 2HB GLN 41 1HB GLN 41 2.213 2.374 -27.405 559 1HG GLN 41 2HG GLN 41 3.064 4.491 -28.270 560 2HG GLN 41 1HG GLN 41 3.826 4.149 -26.717 561 1HE2 GLN 41 1HE2 GLN 41 5.926 4.990 -26.952 562 2HE2 GLN 41 2HE2 GLN 41 6.975 4.597 -28.227 563 H LEU 42 H LEU 42 2.512 0.937 -25.077 564 HA LEU 42 HA LEU 42 3.377 2.987 -23.238 565 1HB LEU 42 2HB LEU 42 1.559 0.593 -22.886 566 2HB LEU 42 1HB LEU 42 1.813 1.814 -21.665 567 HG LEU 42 HG LEU 42 0.257 3.153 -22.579 568 1HD1 LEU 42 1HD1 LEU 42 1.968 3.941 -24.256 569 2HD1 LEU 42 2HD1 LEU 42 0.303 4.033 -24.817 570 3HD1 LEU 42 3HD1 LEU 42 1.343 2.732 -25.374 571 1HD2 LEU 42 1HD2 LEU 42 -1.064 2.082 -24.582 572 2HD2 LEU 42 2HD2 LEU 42 -1.124 1.332 -22.986 573 3HD2 LEU 42 3HD2 LEU 42 -0.062 0.674 -24.231 574 H ARG 43 H ARG 43 3.754 -0.561 -23.425 575 HA ARG 43 HA ARG 43 5.128 -0.862 -20.948 576 1HB ARG 43 2HB ARG 43 5.864 -3.013 -21.798 577 2HB ARG 43 1HB ARG 43 4.206 -2.750 -22.303 578 1HG ARG 43 2HG ARG 43 5.014 -1.984 -24.509 579 2HG ARG 43 1HG ARG 43 6.668 -2.327 -24.009 580 1HD ARG 43 2HD ARG 43 5.927 -4.706 -23.550 581 2HD ARG 43 1HD ARG 43 4.401 -4.307 -24.338 582 HE ARG 43 HE ARG 43 5.509 -4.448 -26.404 583 1HH1 ARG 43 1HH2 ARG 43 7.842 -3.986 -23.839 584 2HH1 ARG 43 2HH2 ARG 43 9.194 -4.165 -24.900 585 1HH2 ARG 43 2HH1 ARG 43 7.288 -4.673 -27.741 586 2HH2 ARG 43 1HH1 ARG 43 8.887 -4.550 -27.086 587 H LYS 44 H LYS 44 6.334 -0.157 -24.241 588 HA LYS 44 HA LYS 44 9.080 -0.200 -23.468 589 1HB LYS 44 2HB LYS 44 9.534 0.883 -25.585 590 2HB LYS 44 1HB LYS 44 8.285 -0.323 -25.846 591 1HG LYS 44 2HG LYS 44 6.587 1.321 -26.022 592 2HG LYS 44 1HG LYS 44 7.593 2.572 -25.308 593 1HD LYS 44 2HD LYS 44 8.674 1.310 -27.760 594 2HD LYS 44 1HD LYS 44 7.239 2.309 -27.980 595 1HE LYS 44 2HE LYS 44 9.249 3.686 -28.221 596 2HE LYS 44 1HE LYS 44 8.369 4.161 -26.770 597 1HZ LYS 44 1HZ LYS 44 10.661 2.276 -26.812 598 2HZ LYS 44 2HZ LYS 44 9.857 2.860 -25.435 599 3HZ LYS 44 3HZ LYS 44 10.772 3.916 -26.400 600 H ASP 45 H ASP 45 6.531 2.213 -23.333 601 HA ASP 45 HA ASP 45 8.172 4.486 -22.806 602 1HB ASP 45 2HB ASP 45 5.307 3.804 -22.195 603 2HB ASP 45 1HB ASP 45 6.019 5.300 -21.616 604 H ILE 46 H ILE 46 6.591 2.114 -20.626 605 HA ILE 46 HA ILE 46 7.509 3.330 -18.201 606 HB ILE 46 HB ILE 46 5.722 1.542 -18.370 607 1HG1 ILE 46 2HG1 ILE 46 7.963 0.970 -16.412 608 2HG1 ILE 46 1HG1 ILE 46 6.808 2.292 -16.246 609 1HG2 ILE 46 1HG2 ILE 46 6.367 -0.310 -19.514 610 2HG2 ILE 46 2HG2 ILE 46 6.989 -0.820 -17.950 611 3HG2 ILE 46 3HG2 ILE 46 8.070 -0.102 -19.133 612 1HD1 ILE 46 1HD1 ILE 46 5.656 -0.409 -16.707 613 2HD1 ILE 46 2HD1 ILE 46 5.086 0.898 -15.669 614 3HD1 ILE 46 3HD1 ILE 46 6.411 -0.136 -15.136 615 H LEU 47 H LEU 47 9.088 1.239 -20.532 616 HA LEU 47 HA LEU 47 11.338 0.517 -18.894 617 1HB LEU 47 2HB LEU 47 10.819 0.597 -21.861 618 2HB LEU 47 1HB LEU 47 12.432 0.256 -21.244 619 HG LEU 47 HG LEU 47 10.147 -1.255 -20.060 620 1HD1 LEU 47 1HD1 LEU 47 9.498 -1.721 -22.237 621 2HD1 LEU 47 2HD1 LEU 47 10.732 -2.960 -22.007 622 3HD1 LEU 47 3HD1 LEU 47 11.123 -1.479 -22.883 623 1HD2 LEU 47 1HD2 LEU 47 12.024 -3.053 -20.310 624 2HD2 LEU 47 2HD2 LEU 47 12.229 -1.783 -19.103 625 3HD2 LEU 47 3HD2 LEU 47 13.072 -1.675 -20.649 626 H GLU 48 H GLU 48 10.802 3.062 -21.331 627 HA GLU 48 HA GLU 48 13.347 4.346 -20.949 628 1HB GLU 48 2HB GLU 48 10.777 5.671 -21.849 629 2HB GLU 48 1HB GLU 48 12.424 6.204 -22.184 630 1HG GLU 48 2HG GLU 48 11.238 3.591 -23.136 631 2HG GLU 48 1HG GLU 48 11.374 5.048 -24.105 632 H VAL 49 H VAL 49 10.133 4.703 -19.546 633 HA VAL 49 HA VAL 49 10.633 7.048 -18.042 634 HB VAL 49 HB VAL 49 8.789 4.712 -17.423 635 1HG1 VAL 49 1HG1 VAL 49 8.646 7.537 -16.331 636 2HG1 VAL 49 2HG1 VAL 49 9.353 6.192 -15.440 637 3HG1 VAL 49 3HG1 VAL 49 7.645 6.160 -15.872 638 1HG2 VAL 49 1HG2 VAL 49 7.758 7.338 -18.341 639 2HG2 VAL 49 2HG2 VAL 49 7.247 5.711 -18.785 640 3HG2 VAL 49 3HG2 VAL 49 8.672 6.424 -19.540 641 H ILE 50 H ILE 50 10.820 3.607 -16.979 642 HA ILE 50 HA ILE 50 11.992 4.095 -14.437 643 HB ILE 50 HB ILE 50 12.526 1.739 -16.275 644 1HG1 ILE 50 2HG1 ILE 50 10.562 1.684 -14.020 645 2HG1 ILE 50 1HG1 ILE 50 10.074 2.470 -15.522 646 1HG2 ILE 50 1HG2 ILE 50 14.082 1.965 -14.339 647 2HG2 ILE 50 2HG2 ILE 50 13.051 0.541 -14.211 648 3HG2 ILE 50 3HG2 ILE 50 12.691 1.979 -13.257 649 1HD1 ILE 50 1HD1 ILE 50 9.475 0.052 -15.486 650 2HD1 ILE 50 2HD1 ILE 50 11.186 -0.345 -15.326 651 3HD1 ILE 50 3HD1 ILE 50 10.596 0.444 -16.790 652 H CYS 51 H CYS 51 13.343 4.313 -17.637 653 HA CYS 51 HA CYS 51 16.114 4.216 -16.825 654 1HB CYS 51 2HB CYS 51 15.102 3.838 -19.193 655 2HB CYS 51 1HB CYS 51 15.089 5.598 -19.304 656 HG CYS 51 HG CYS 51 17.435 4.258 -20.065 657 H LYS 52 H LYS 52 13.799 6.814 -17.574 658 HA LYS 52 HA LYS 52 15.529 9.032 -17.236 659 1HB LYS 52 2HB LYS 52 12.595 8.878 -16.492 660 2HB LYS 52 1HB LYS 52 13.510 10.351 -16.791 661 1HG LYS 52 2HG LYS 52 13.678 9.932 -19.090 662 2HG LYS 52 1HG LYS 52 13.361 8.207 -18.898 663 1HD LYS 52 2HD LYS 52 11.258 8.816 -19.580 664 2HD LYS 52 1HD LYS 52 11.064 9.202 -17.870 665 1HE LYS 52 2HE LYS 52 10.331 11.147 -19.023 666 2HE LYS 52 1HE LYS 52 11.955 11.535 -18.456 667 1HZ LYS 52 1HZ LYS 52 12.845 11.063 -20.597 668 2HZ LYS 52 2HZ LYS 52 11.532 12.121 -20.813 669 3HZ LYS 52 3HZ LYS 52 11.359 10.466 -21.158 670 H TYR 53 H TYR 53 13.846 7.063 -14.854 671 HA TYR 53 HA TYR 53 14.842 8.801 -12.666 672 1HB TYR 53 2HB TYR 53 12.865 6.499 -12.660 673 2HB TYR 53 1HB TYR 53 13.291 7.472 -11.264 674 HD1 TYR 53 HD1 TYR 53 11.869 9.239 -10.714 675 HD2 TYR 53 HD2 TYR 53 12.120 7.970 -14.801 676 HE1 TYR 53 HE1 TYR 53 10.090 10.853 -11.337 677 HE2 TYR 53 HE2 TYR 53 10.357 9.576 -15.427 678 HH TYR 53 HH TYR 53 9.515 11.894 -14.324 679 H VAL 54 H VAL 54 15.562 5.829 -14.275 680 HA VAL 54 HA VAL 54 17.631 5.222 -12.259 681 HB VAL 54 HB VAL 54 15.861 2.922 -13.091 682 1HG1 VAL 54 1HG1 VAL 54 18.166 2.817 -11.878 683 2HG1 VAL 54 2HG1 VAL 54 16.841 1.832 -11.255 684 3HG1 VAL 54 3HG1 VAL 54 17.261 3.349 -10.459 685 1HG2 VAL 54 1HG2 VAL 54 14.322 4.595 -12.087 686 2HG2 VAL 54 2HG2 VAL 54 15.375 4.705 -10.676 687 3HG2 VAL 54 3HG2 VAL 54 14.530 3.197 -11.030 688 H GLN 55 H GLN 55 17.697 2.404 -13.779 689 HA GLN 55 HA GLN 55 18.231 3.045 -16.521 690 1HB GLN 55 2HB GLN 55 20.295 3.728 -14.662 691 2HB GLN 55 1HB GLN 55 20.859 2.360 -15.618 692 1HG GLN 55 2HG GLN 55 20.225 3.591 -17.691 693 2HG GLN 55 1HG GLN 55 19.777 4.979 -16.699 694 1HE2 GLN 55 1HE2 GLN 55 22.601 2.784 -17.212 695 2HE2 GLN 55 2HE2 GLN 55 23.766 3.999 -16.994 696 H ILE 56 H ILE 56 17.440 1.144 -17.219 697 HA ILE 56 HA ILE 56 18.821 -1.351 -16.371 698 HB ILE 56 HB ILE 56 16.473 -2.457 -16.521 699 1HG1 ILE 56 2HG1 ILE 56 15.343 0.042 -15.414 700 2HG1 ILE 56 1HG1 ILE 56 15.679 0.099 -17.143 701 1HG2 ILE 56 1HG2 ILE 56 18.038 -1.800 -14.462 702 2HG2 ILE 56 2HG2 ILE 56 16.432 -2.489 -14.227 703 3HG2 ILE 56 3HG2 ILE 56 16.674 -0.747 -14.089 704 1HD1 ILE 56 1HD1 ILE 56 13.592 -0.854 -17.262 705 2HD1 ILE 56 2HD1 ILE 56 13.709 -1.558 -15.649 706 3HD1 ILE 56 3HD1 ILE 56 14.519 -2.333 -17.010 707 H ASP 57 H ASP 57 18.263 -3.160 -17.938 708 HA ASP 57 HA ASP 57 18.246 -2.042 -20.683 709 1HB ASP 57 2HB ASP 57 19.008 -4.713 -19.497 710 2HB ASP 57 1HB ASP 57 18.783 -4.519 -21.235 711 HA PRO 58 HA PRO 58 14.125 -3.449 -21.509 712 1HB PRO 58 2HB PRO 58 14.299 -4.223 -24.127 713 2HB PRO 58 1HB PRO 58 14.299 -2.530 -23.611 714 1HG PRO 58 2HG PRO 58 16.558 -4.224 -24.532 715 2HG PRO 58 1HG PRO 58 16.301 -2.483 -24.721 716 1HD PRO 58 2HD PRO 58 18.010 -3.654 -22.853 717 2HD PRO 58 1HD PRO 58 17.369 -2.001 -22.752 718 H GLU 59 H GLU 59 16.773 -5.625 -22.281 719 HA GLU 59 HA GLU 59 15.143 -8.015 -22.500 720 1HB GLU 59 2HB GLU 59 18.094 -7.732 -21.851 721 2HB GLU 59 1HB GLU 59 17.283 -9.213 -22.361 722 1HG GLU 59 2HG GLU 59 17.037 -8.493 -24.545 723 2HG GLU 59 1HG GLU 59 16.994 -6.790 -24.089 724 H MET 60 H MET 60 15.969 -6.031 -19.854 725 HA MET 60 HA MET 60 16.048 -8.219 -17.884 726 1HB MET 60 2HB MET 60 16.318 -5.216 -17.774 727 2HB MET 60 1HB MET 60 16.058 -6.145 -16.303 728 1HG MET 60 2HG MET 60 18.152 -7.208 -18.111 729 2HG MET 60 1HG MET 60 18.521 -5.653 -17.366 730 1HE MET 60 1HE MET 60 17.880 -5.136 -15.053 731 2HE MET 60 2HE MET 60 19.579 -5.550 -14.838 732 3HE MET 60 3HE MET 60 18.383 -6.139 -13.685 733 H VAL 61 H VAL 61 13.729 -6.089 -19.360 734 HA VAL 61 HA VAL 61 11.754 -6.594 -17.198 735 HB VAL 61 HB VAL 61 11.483 -4.865 -19.675 736 1HG1 VAL 61 1HG1 VAL 61 9.948 -4.570 -17.108 737 2HG1 VAL 61 2HG1 VAL 61 9.440 -5.768 -18.297 738 3HG1 VAL 61 3HG1 VAL 61 9.499 -4.061 -18.735 739 1HG2 VAL 61 1HG2 VAL 61 13.107 -3.675 -18.553 740 2HG2 VAL 61 2HG2 VAL 61 12.700 -4.390 -16.993 741 3HG2 VAL 61 3HG2 VAL 61 11.701 -3.098 -17.659 742 H THR 62 H THR 62 10.124 -8.069 -17.495 743 HA THR 62 HA THR 62 10.025 -9.484 -20.083 744 HB THR 62 HB THR 62 8.527 -10.297 -17.602 745 HG1 THR 62 HG1 THR 62 10.339 -11.320 -16.892 746 1HG2 THR 62 1HG2 THR 62 8.952 -12.561 -18.586 747 2HG2 THR 62 2HG2 THR 62 9.702 -11.770 -19.972 748 3HG2 THR 62 3HG2 THR 62 7.991 -11.513 -19.629 749 H VAL 63 H VAL 63 7.908 -10.004 -21.012 750 HA VAL 63 HA VAL 63 5.649 -8.287 -20.141 751 HB VAL 63 HB VAL 63 6.675 -8.373 -22.991 752 1HG1 VAL 63 1HG1 VAL 63 4.173 -8.068 -22.551 753 2HG1 VAL 63 2HG1 VAL 63 4.951 -6.782 -23.473 754 3HG1 VAL 63 3HG1 VAL 63 4.596 -6.548 -21.762 755 1HG2 VAL 63 1HG2 VAL 63 8.225 -7.060 -21.747 756 2HG2 VAL 63 2HG2 VAL 63 6.942 -6.324 -20.787 757 3HG2 VAL 63 3HG2 VAL 63 7.123 -5.903 -22.490 758 H GLN 64 H GLN 64 4.020 -9.733 -19.896 759 HA GLN 64 HA GLN 64 3.730 -11.865 -21.958 760 1HB GLN 64 2HB GLN 64 2.897 -13.353 -20.109 761 2HB GLN 64 1HB GLN 64 4.598 -12.918 -19.955 762 1HG GLN 64 2HG GLN 64 2.986 -10.915 -18.640 763 2HG GLN 64 1HG GLN 64 2.525 -12.508 -18.051 764 1HE2 GLN 64 1HE2 GLN 64 5.536 -10.624 -18.742 765 2HE2 GLN 64 2HE2 GLN 64 6.401 -11.260 -17.428 766 H LEU 65 H LEU 65 1.844 -11.567 -23.018 767 HA LEU 65 HA LEU 65 -0.314 -10.028 -21.740 768 1HB LEU 65 2HB LEU 65 -1.312 -10.045 -23.998 769 2HB LEU 65 1HB LEU 65 0.325 -9.408 -24.007 770 HG LEU 65 HG LEU 65 0.547 -12.226 -24.361 771 1HD1 LEU 65 1HD1 LEU 65 -1.966 -11.754 -25.068 772 2HD1 LEU 65 2HD1 LEU 65 -0.946 -12.828 -26.025 773 3HD1 LEU 65 3HD1 LEU 65 -1.203 -11.162 -26.544 774 1HD2 LEU 65 1HD2 LEU 65 1.334 -11.476 -26.663 775 2HD2 LEU 65 2HD2 LEU 65 2.128 -10.679 -25.305 776 3HD2 LEU 65 3HD2 LEU 65 0.863 -9.839 -26.203 777 H GLU 66 H GLU 66 -2.166 -10.933 -20.995 778 HA GLU 66 HA GLU 66 -2.710 -13.796 -21.692 779 1HB GLU 66 2HB GLU 66 -3.495 -12.578 -19.052 780 2HB GLU 66 1HB GLU 66 -3.340 -14.280 -19.465 781 1HG GLU 66 2HG GLU 66 -1.048 -12.305 -19.216 782 2HG GLU 66 1HG GLU 66 -1.464 -13.548 -18.039 783 H GLN 67 H GLN 67 -5.153 -14.252 -20.962 784 HA GLN 67 HA GLN 67 -6.888 -11.909 -21.374 785 1HB GLN 67 2HB GLN 67 -6.888 -14.269 -23.282 786 2HB GLN 67 1HB GLN 67 -8.089 -12.976 -23.271 787 1HG GLN 67 2HG GLN 67 -6.195 -11.335 -23.599 788 2HG GLN 67 1HG GLN 67 -5.127 -12.718 -23.845 789 1HE2 GLN 67 1HE2 GLN 67 -4.787 -12.949 -26.060 790 2HE2 GLN 67 2HE2 GLN 67 -5.994 -12.830 -27.247 791 H LYS 68 H LYS 68 -9.087 -12.320 -20.772 792 HA LYS 68 HA LYS 68 -9.404 -14.783 -19.121 793 1HB LYS 68 2HB LYS 68 -10.391 -11.989 -18.871 794 2HB LYS 68 1HB LYS 68 -11.447 -13.270 -18.289 795 1HG LYS 68 2HG LYS 68 -10.232 -13.324 -16.393 796 2HG LYS 68 1HG LYS 68 -8.876 -13.940 -17.337 797 1HD LYS 68 2HD LYS 68 -7.971 -12.018 -16.346 798 2HD LYS 68 1HD LYS 68 -8.472 -11.427 -17.931 799 1HE LYS 68 2HE LYS 68 -9.424 -9.807 -16.573 800 2HE LYS 68 1HE LYS 68 -10.756 -10.959 -16.666 801 1HZ LYS 68 1HZ LYS 68 -10.015 -11.942 -14.596 802 2HZ LYS 68 2HZ LYS 68 -10.313 -10.282 -14.387 803 3HZ LYS 68 3HZ LYS 68 -8.717 -10.853 -14.509 804 H ASP 69 H ASP 69 -11.946 -15.267 -18.928 805 HA ASP 69 HA ASP 69 -12.804 -15.950 -21.623 806 1HB ASP 69 2HB ASP 69 -14.724 -17.031 -20.439 807 2HB ASP 69 1HB ASP 69 -13.153 -17.565 -19.842 808 H GLY 70 H GLY 70 -13.304 -13.257 -19.559 809 1HA GLY 70 2HA GLY 70 -15.934 -12.609 -20.770 810 2HA GLY 70 1HA GLY 70 -15.178 -11.747 -19.431 811 H ASP 71 H ASP 71 -13.432 -12.579 -22.364 812 HA ASP 71 HA ASP 71 -12.414 -11.232 -23.985 813 1HB ASP 71 2HB ASP 71 -14.984 -9.756 -23.441 814 2HB ASP 71 1HB ASP 71 -13.785 -9.090 -24.547 815 H ILE 72 H ILE 72 -11.282 -11.031 -21.529 816 HA ILE 72 HA ILE 72 -10.636 -8.120 -21.316 817 HB ILE 72 HB ILE 72 -10.593 -10.081 -19.018 818 1HG1 ILE 72 2HG1 ILE 72 -12.794 -8.217 -19.956 819 2HG1 ILE 72 1HG1 ILE 72 -12.892 -9.960 -19.755 820 1HG2 ILE 72 1HG2 ILE 72 -10.295 -8.159 -17.663 821 2HG2 ILE 72 2HG2 ILE 72 -10.771 -7.072 -18.968 822 3HG2 ILE 72 3HG2 ILE 72 -9.222 -7.911 -19.042 823 1HD1 ILE 72 1HD1 ILE 72 -13.811 -9.435 -17.738 824 2HD1 ILE 72 2HD1 ILE 72 -13.096 -7.824 -17.717 825 3HD1 ILE 72 3HD1 ILE 72 -12.132 -9.223 -17.244 826 H SER 73 H SER 73 -8.472 -7.677 -21.497 827 HA SER 73 HA SER 73 -6.626 -9.993 -21.729 828 1HB SER 73 2HB SER 73 -6.267 -7.087 -22.513 829 2HB SER 73 1HB SER 73 -5.086 -8.364 -22.790 830 HG SER 73 HG SER 73 -7.756 -8.317 -23.764 831 H ILE 74 H ILE 74 -4.774 -10.172 -20.465 832 HA ILE 74 HA ILE 74 -4.517 -8.216 -18.212 833 HB ILE 74 HB ILE 74 -3.736 -11.108 -17.971 834 1HG1 ILE 74 2HG1 ILE 74 -6.108 -11.107 -18.677 835 2HG1 ILE 74 1HG1 ILE 74 -5.945 -11.614 -16.999 836 1HG2 ILE 74 1HG2 ILE 74 -3.017 -9.374 -16.310 837 2HG2 ILE 74 2HG2 ILE 74 -3.950 -10.701 -15.618 838 3HG2 ILE 74 3HG2 ILE 74 -4.718 -9.140 -15.909 839 1HD1 ILE 74 1HD1 ILE 74 -7.485 -9.457 -18.043 840 2HD1 ILE 74 2HD1 ILE 74 -6.200 -8.763 -17.054 841 3HD1 ILE 74 3HD1 ILE 74 -7.305 -9.946 -16.358 842 H LEU 75 H LEU 75 -2.919 -7.173 -19.680 843 HA LEU 75 HA LEU 75 -0.556 -8.672 -20.437 844 1HB LEU 75 2HB LEU 75 -1.504 -6.686 -21.703 845 2HB LEU 75 1HB LEU 75 -0.865 -5.669 -20.418 846 HG LEU 75 HG LEU 75 1.066 -7.628 -21.498 847 1HD1 LEU 75 1HD1 LEU 75 1.367 -5.692 -23.391 848 2HD1 LEU 75 2HD1 LEU 75 -0.390 -5.742 -23.256 849 3HD1 LEU 75 3HD1 LEU 75 0.505 -7.204 -23.667 850 1HD2 LEU 75 1HD2 LEU 75 2.584 -5.973 -20.953 851 2HD2 LEU 75 2HD2 LEU 75 1.263 -5.502 -19.884 852 3HD2 LEU 75 3HD2 LEU 75 1.491 -4.670 -21.422 853 H GLU 76 H GLU 76 0.751 -9.343 -18.839 854 HA GLU 76 HA GLU 76 1.354 -7.481 -16.589 855 1HB GLU 76 2HB GLU 76 2.055 -10.424 -16.821 856 2HB GLU 76 1HB GLU 76 2.109 -9.427 -15.369 857 1HG GLU 76 2HG GLU 76 -0.239 -9.345 -15.190 858 2HG GLU 76 1HG GLU 76 -0.477 -9.792 -16.878 859 H LEU 77 H LEU 77 3.515 -6.855 -16.210 860 HA LEU 77 HA LEU 77 5.554 -7.910 -18.114 861 1HB LEU 77 2HB LEU 77 6.492 -5.559 -18.251 862 2HB LEU 77 1HB LEU 77 4.948 -5.788 -19.068 863 HG LEU 77 HG LEU 77 4.938 -4.905 -16.207 864 1HD1 LEU 77 1HD1 LEU 77 5.151 -2.913 -18.457 865 2HD1 LEU 77 2HD1 LEU 77 6.594 -3.509 -17.635 866 3HD1 LEU 77 3HD1 LEU 77 5.354 -2.645 -16.726 867 1HD2 LEU 77 1HD2 LEU 77 3.042 -3.485 -17.511 868 2HD2 LEU 77 2HD2 LEU 77 2.754 -5.112 -16.897 869 3HD2 LEU 77 3HD2 LEU 77 3.160 -4.872 -18.595 870 H ASN 78 H ASN 78 7.381 -8.529 -17.065 871 HA ASN 78 HA ASN 78 7.589 -7.986 -14.178 872 1HB ASN 78 2HB ASN 78 9.476 -9.585 -15.906 873 2HB ASN 78 1HB ASN 78 9.259 -9.691 -14.171 874 1HD2 ASN 78 1HD2 ASN 78 6.209 -9.554 -14.494 875 2HD2 ASN 78 2HD2 ASN 78 5.775 -11.100 -15.035 876 H VAL 79 H VAL 79 9.252 -6.775 -13.263 877 HA VAL 79 HA VAL 79 11.088 -5.412 -15.192 878 HB VAL 79 HB VAL 79 10.049 -4.254 -12.593 879 1HG1 VAL 79 1HG1 VAL 79 11.127 -2.697 -14.910 880 2HG1 VAL 79 2HG1 VAL 79 12.268 -3.550 -13.869 881 3HG1 VAL 79 3HG1 VAL 79 11.194 -2.328 -13.187 882 1HG2 VAL 79 1HG2 VAL 79 8.263 -4.674 -14.362 883 2HG2 VAL 79 2HG2 VAL 79 9.154 -3.571 -15.409 884 3HG2 VAL 79 3HG2 VAL 79 8.467 -2.985 -13.894 885 H THR 80 H THR 80 12.843 -6.789 -14.875 886 HA THR 80 HA THR 80 13.726 -7.428 -12.142 887 HB THR 80 HB THR 80 15.040 -8.071 -14.799 888 HG1 THR 80 HG1 THR 80 13.689 -9.667 -14.930 889 1HG2 THR 80 1HG2 THR 80 16.720 -8.584 -13.337 890 2HG2 THR 80 2HG2 THR 80 15.760 -10.041 -13.086 891 3HG2 THR 80 3HG2 THR 80 15.626 -8.692 -11.958 892 H LEU 81 H LEU 81 14.423 -5.449 -11.257 893 HA LEU 81 HA LEU 81 16.339 -3.774 -12.708 894 1HB LEU 81 2HB LEU 81 15.315 -3.669 -9.851 895 2HB LEU 81 1HB LEU 81 16.311 -2.438 -10.616 896 HG LEU 81 HG LEU 81 13.792 -3.274 -11.991 897 1HD1 LEU 81 1HD1 LEU 81 13.315 -2.849 -9.509 898 2HD1 LEU 81 2HD1 LEU 81 12.418 -1.856 -10.657 899 3HD1 LEU 81 3HD1 LEU 81 13.810 -1.183 -9.808 900 1HD2 LEU 81 1HD2 LEU 81 13.963 -0.585 -12.181 901 2HD2 LEU 81 2HD2 LEU 81 14.819 -1.668 -13.277 902 3HD2 LEU 81 3HD2 LEU 81 15.663 -0.959 -11.900 903 HA PRO 82 HA PRO 82 19.799 -6.054 -10.987 904 1HB PRO 82 2HB PRO 82 21.790 -4.411 -11.876 905 2HB PRO 82 1HB PRO 82 20.904 -5.523 -12.930 906 1HG PRO 82 2HG PRO 82 20.761 -2.588 -12.766 907 2HG PRO 82 1HG PRO 82 20.323 -3.666 -14.098 908 1HD PRO 82 2HD PRO 82 18.553 -2.395 -12.245 909 2HD PRO 82 1HD PRO 82 18.133 -3.564 -13.514 910 H GLU 83 H GLU 83 21.874 -5.484 -9.671 911 HA GLU 83 HA GLU 83 21.134 -4.216 -7.240 912 1HB GLU 83 2HB GLU 83 23.561 -5.411 -8.403 913 2HB GLU 83 1HB GLU 83 23.890 -4.148 -7.219 914 1HG GLU 83 2HG GLU 83 22.354 -5.295 -5.623 915 2HG GLU 83 1HG GLU 83 22.159 -6.598 -6.797 916 H ALA 84 H ALA 84 22.681 -2.389 -6.323 917 HA ALA 84 HA ALA 84 23.754 -0.404 -8.039 918 1HB ALA 84 1HB ALA 84 21.077 -0.394 -8.385 919 2HB ALA 84 2HB ALA 84 22.048 1.075 -8.473 920 3HB ALA 84 3HB ALA 84 21.187 0.675 -6.987 921 H GLU 85 H GLU 85 24.879 1.065 -6.781 922 HA GLU 85 HA GLU 85 24.096 1.989 -4.208 923 1HB GLU 85 2HB GLU 85 25.826 0.718 -2.854 924 2HB GLU 85 1HB GLU 85 24.435 -0.236 -3.367 925 1HG GLU 85 2HG GLU 85 25.714 -1.608 -4.633 926 2HG GLU 85 1HG GLU 85 26.581 -0.257 -5.360 927 H GLU 86 H GLU 86 25.063 3.942 -4.336 928 HA GLU 86 HA GLU 86 26.708 5.582 -4.642 929 1HB GLU 86 2HB GLU 86 27.860 3.760 -3.081 930 2HB GLU 86 1HB GLU 86 28.868 3.514 -4.509 931 1HG GLU 86 2HG GLU 86 29.336 5.963 -4.560 932 2HG GLU 86 1HG GLU 86 28.410 6.144 -3.069 933 H LEU 87 H LEU 87 25.720 5.253 -6.968 934 HA LEU 87 HA LEU 87 28.021 4.774 -8.816 935 1HB LEU 87 2HB LEU 87 26.375 3.903 -10.483 936 2HB LEU 87 1HB LEU 87 26.494 2.884 -9.049 937 HG LEU 87 HG LEU 87 24.473 5.066 -8.962 938 1HD1 LEU 87 1HD1 LEU 87 22.839 3.645 -10.204 939 2HD1 LEU 87 2HD1 LEU 87 24.164 2.574 -10.663 940 3HD1 LEU 87 3HD1 LEU 87 24.140 4.242 -11.236 941 1HD2 LEU 87 1HD2 LEU 87 23.343 3.559 -7.558 942 2HD2 LEU 87 2HD2 LEU 87 25.035 3.192 -7.224 943 3HD2 LEU 87 3HD2 LEU 87 24.102 2.151 -8.300 944 H LYS 88 HN LYS 88 27.475 5.841 -11.040 945 HA LYS 88 HA LYS 88 25.865 8.321 -10.685 946 1HB LYS 88 2HB LYS 88 28.738 8.225 -11.661 947 2HB LYS 88 1HB LYS 88 27.706 9.654 -11.697 948 1HG LYS 88 2HG LYS 88 27.397 9.008 -9.113 949 2HG LYS 88 1HG LYS 88 28.995 8.306 -9.372 950 1HD LYS 88 2HD LYS 88 29.942 10.383 -9.973 951 2HD LYS 88 1HD LYS 88 28.365 11.113 -10.277 952 1HE LYS 88 2HE LYS 88 29.164 11.969 -8.166 953 2HE LYS 88 1HE LYS 88 27.857 10.836 -7.820 954 1HZ LYS 88 1HZ LYS 88 30.774 10.346 -7.611 955 2HZ LYS 88 2HZ LYS 88 29.612 9.109 -7.526 956 3HZ LYS 88 3HZ LYS 88 29.633 10.341 -6.357 Start of MODEL 12 1 1H ARG 31 1H ARG 31 4.987 0.935 3.772 2 2H ARG 31 2H ARG 31 3.926 -0.145 3.001 3 3H ARG 31 3H ARG 31 3.387 1.401 3.454 4 HA ARG 31 HA ARG 31 3.923 1.052 1.017 5 1HB ARG 31 2HB ARG 31 3.852 3.260 2.503 6 2HB ARG 31 1HB ARG 31 5.582 3.269 2.156 7 1HG ARG 31 2HG ARG 31 5.273 3.635 -0.095 8 2HG ARG 31 1HG ARG 31 3.738 2.767 -0.132 9 1HD ARG 31 2HD ARG 31 3.768 5.240 1.505 10 2HD ARG 31 1HD ARG 31 3.921 5.475 -0.237 11 HE ARG 31 HE ARG 31 1.523 4.662 1.146 12 1HH1 ARG 31 1HH2 ARG 31 3.342 4.188 -1.804 13 2HH1 ARG 31 2HH2 ARG 31 1.937 3.772 -2.721 14 1HH2 ARG 31 1HH1 ARG 31 -0.267 4.115 -0.079 15 2HH2 ARG 31 2HH1 ARG 31 -0.084 3.729 -1.757 16 H SER 32 H SER 32 5.371 -0.991 1.254 17 HA SER 32 HA SER 32 8.171 -0.790 1.690 18 1HB SER 32 2HB SER 32 6.979 -2.688 -0.317 19 2HB SER 32 1HB SER 32 8.331 -2.950 0.781 20 HG SER 32 HG SER 32 6.963 -3.256 2.416 21 H ASP 33 H ASP 33 6.234 0.241 -1.006 22 HA ASP 33 HA ASP 33 8.505 0.313 -2.846 23 1HB ASP 33 2HB ASP 33 6.869 1.382 -4.401 24 2HB ASP 33 1HB ASP 33 6.337 -0.185 -3.794 25 H ALA 34 H ALA 34 8.073 2.103 -0.247 26 HA ALA 34 HA ALA 34 8.319 4.758 -1.472 27 1HB ALA 34 1HB ALA 34 7.969 3.718 1.318 28 2HB ALA 34 2HB ALA 34 7.018 4.926 0.454 29 3HB ALA 34 3HB ALA 34 8.614 5.342 1.079 30 H GLU 35 H GLU 35 10.344 2.202 -0.377 31 HA GLU 35 HA GLU 35 12.594 3.581 0.608 32 1HB GLU 35 2HB GLU 35 12.656 1.065 -1.080 33 2HB GLU 35 1HB GLU 35 13.883 1.603 0.058 34 1HG GLU 35 2HG GLU 35 11.186 1.426 1.231 35 2HG GLU 35 1HG GLU 35 11.818 -0.119 0.664 36 HA PRO 36 HA PRO 36 14.189 4.123 -3.868 37 1HB PRO 36 2HB PRO 36 12.541 3.517 -5.958 38 2HB PRO 36 1HB PRO 36 13.598 2.331 -5.179 39 1HG PRO 36 2HG PRO 36 10.676 2.575 -5.076 40 2HG PRO 36 1HG PRO 36 11.703 1.181 -4.721 41 1HD PRO 36 2HD PRO 36 10.450 2.963 -2.851 42 2HD PRO 36 1HD PRO 36 11.492 1.578 -2.499 43 H HIS 37 H HIS 37 10.650 4.665 -3.970 44 HA HIS 37 HA HIS 37 9.428 6.660 -4.076 45 1HB HIS 37 2HB HIS 37 11.666 7.632 -2.978 46 2HB HIS 37 1HB HIS 37 11.809 8.389 -4.565 47 HD1 HIS 37 HD1 HIS 37 8.742 7.758 -2.378 48 HD2 HIS 37 HD2 HIS 37 10.719 10.910 -4.257 49 HE1 HIS 37 HE1 HIS 37 7.334 9.826 -1.980 50 H TYR 38 H TYR 38 11.512 5.470 -6.474 51 HA TYR 38 HA TYR 38 10.211 7.213 -8.517 52 1HB TYR 38 2HB TYR 38 12.154 6.484 -9.998 53 2HB TYR 38 1HB TYR 38 12.576 7.559 -8.668 54 HD1 TYR 38 HD1 TYR 38 13.761 6.716 -6.687 55 HD2 TYR 38 HD2 TYR 38 12.834 4.145 -9.999 56 HE1 TYR 38 HE1 TYR 38 15.359 5.028 -5.823 57 HE2 TYR 38 HE2 TYR 38 14.432 2.457 -9.135 58 HH TYR 38 HH TYR 38 16.591 2.592 -7.590 59 H LEU 39 H LEU 39 10.936 3.933 -7.497 60 HA LEU 39 HA LEU 39 10.223 2.466 -9.788 61 1HB LEU 39 2HB LEU 39 10.734 1.926 -7.059 62 2HB LEU 39 1HB LEU 39 9.173 1.190 -7.406 63 HG LEU 39 HG LEU 39 10.960 -0.417 -7.874 64 1HD1 LEU 39 1HD1 LEU 39 10.221 0.444 -10.639 65 2HD1 LEU 39 2HD1 LEU 39 8.909 0.052 -9.528 66 3HD1 LEU 39 3HD1 LEU 39 10.139 -1.156 -9.900 67 1HD2 LEU 39 1HD2 LEU 39 12.579 1.586 -8.394 68 2HD2 LEU 39 2HD2 LEU 39 12.021 1.360 -10.052 69 3HD2 LEU 39 3HD2 LEU 39 12.824 0.039 -9.203 70 HA PRO 40 HA PRO 40 5.609 2.606 -8.388 71 1HB PRO 40 2HB PRO 40 4.907 4.410 -6.451 72 2HB PRO 40 1HB PRO 40 5.367 2.733 -6.118 73 1HG PRO 40 2HG PRO 40 6.916 5.230 -5.719 74 2HG PRO 40 1HG PRO 40 6.969 3.709 -4.821 75 1HD PRO 40 2HD PRO 40 8.836 4.525 -6.724 76 2HD PRO 40 1HD PRO 40 8.623 2.858 -6.148 77 H GLN 41 H GLN 41 7.556 5.457 -8.725 78 HA GLN 41 HA GLN 41 5.440 7.230 -9.638 79 1HB GLN 41 2HB GLN 41 7.551 8.136 -8.747 80 2HB GLN 41 1HB GLN 41 8.457 7.314 -10.016 81 1HG GLN 41 2HG GLN 41 8.159 9.659 -10.623 82 2HG GLN 41 1HG GLN 41 7.217 8.648 -11.719 83 1HE2 GLN 41 1HE2 GLN 41 5.460 10.057 -12.170 84 2HE2 GLN 41 2HE2 GLN 41 4.422 10.672 -10.977 85 H LEU 42 H LEU 42 7.725 4.974 -11.098 86 HA LEU 42 HA LEU 42 7.103 5.675 -13.813 87 1HB LEU 42 2HB LEU 42 8.330 3.164 -12.649 88 2HB LEU 42 1HB LEU 42 8.232 3.513 -14.353 89 HG LEU 42 HG LEU 42 10.141 4.697 -14.282 90 1HD1 LEU 42 1HD1 LEU 42 8.773 6.681 -13.495 91 2HD1 LEU 42 2HD1 LEU 42 10.470 6.714 -13.030 92 3HD1 LEU 42 3HD1 LEU 42 9.246 6.261 -11.849 93 1HD2 LEU 42 1HD2 LEU 42 11.117 3.218 -12.795 94 2HD2 LEU 42 2HD2 LEU 42 10.017 3.644 -11.484 95 3HD2 LEU 42 3HD2 LEU 42 11.327 4.740 -11.928 96 H ARG 43 H ARG 43 6.196 2.837 -11.802 97 HA ARG 43 HA ARG 43 4.463 1.583 -13.596 98 1HB ARG 43 2HB ARG 43 3.397 0.546 -11.698 99 2HB ARG 43 1HB ARG 43 5.100 0.724 -11.333 100 1HG ARG 43 2HG ARG 43 4.595 2.783 -10.055 101 2HG ARG 43 1HG ARG 43 2.878 2.531 -10.360 102 1HD ARG 43 2HD ARG 43 3.090 0.270 -9.277 103 2HD ARG 43 1HD ARG 43 4.738 0.701 -8.823 104 HE ARG 43 HE ARG 43 2.813 2.700 -7.968 105 1HH1 ARG 43 1HH2 ARG 43 4.246 -0.392 -7.175 106 2HH1 ARG 43 2HH2 ARG 43 3.938 -0.213 -5.483 107 1HH2 ARG 43 2HH1 ARG 43 2.434 2.888 -5.772 108 2HH2 ARG 43 1HH1 ARG 43 2.923 1.622 -4.695 109 H LYS 44 H LYS 44 3.641 4.291 -11.391 110 HA LYS 44 HA LYS 44 0.905 4.372 -12.190 111 1HB LYS 44 2HB LYS 44 0.871 6.612 -11.179 112 2HB LYS 44 1HB LYS 44 1.707 5.477 -10.130 113 1HG LYS 44 2HG LYS 44 3.848 6.309 -10.810 114 2HG LYS 44 1HG LYS 44 3.139 7.269 -12.104 115 1HD LYS 44 2HD LYS 44 3.587 8.790 -10.308 116 2HD LYS 44 1HD LYS 44 1.845 8.515 -10.302 117 1HE LYS 44 2HE LYS 44 1.985 7.018 -8.452 118 2HE LYS 44 1HE LYS 44 3.738 6.886 -8.599 119 1HZ LYS 44 1HZ LYS 44 3.384 8.365 -6.846 120 2HZ LYS 44 2HZ LYS 44 2.143 9.192 -7.659 121 3HZ LYS 44 3HZ LYS 44 3.756 9.368 -8.162 122 H ASP 45 H ASP 45 3.882 5.625 -13.589 123 HA ASP 45 HA ASP 45 2.673 7.510 -15.368 124 1HB ASP 45 2HB ASP 45 5.255 5.944 -15.636 125 2HB ASP 45 1HB ASP 45 4.777 7.264 -16.682 126 H ILE 46 H ILE 46 3.585 4.050 -15.826 127 HA ILE 46 HA ILE 46 2.682 3.850 -18.518 128 HB ILE 46 HB ILE 46 3.964 2.108 -17.048 129 1HG1 ILE 46 2HG1 ILE 46 3.142 0.314 -18.601 130 2HG1 ILE 46 1HG1 ILE 46 1.883 1.427 -19.127 131 1HG2 ILE 46 1HG2 ILE 46 1.409 0.631 -16.840 132 2HG2 ILE 46 2HG2 ILE 46 1.653 1.901 -15.646 133 3HG2 ILE 46 3HG2 ILE 46 2.823 0.594 -15.787 134 1HD1 ILE 46 1HD1 ILE 46 4.623 1.293 -19.961 135 2HD1 ILE 46 2HD1 ILE 46 4.333 2.861 -19.211 136 3HD1 ILE 46 3HD1 ILE 46 3.342 2.336 -20.571 137 H LEU 47 H LEU 47 0.887 3.768 -15.477 138 HA LEU 47 HA LEU 47 -1.613 2.873 -16.539 139 1HB LEU 47 2HB LEU 47 -0.820 4.556 -14.165 140 2HB LEU 47 1HB LEU 47 -2.517 4.301 -14.558 141 HG LEU 47 HG LEU 47 -0.546 2.029 -14.240 142 1HD1 LEU 47 1HD1 LEU 47 -1.090 1.838 -11.984 143 2HD1 LEU 47 2HD1 LEU 47 -2.595 2.740 -12.166 144 3HD1 LEU 47 3HD1 LEU 47 -1.052 3.592 -12.172 145 1HD2 LEU 47 1HD2 LEU 47 -2.392 1.192 -15.398 146 2HD2 LEU 47 2HD2 LEU 47 -3.512 2.313 -14.625 147 3HD2 LEU 47 3HD2 LEU 47 -2.892 0.928 -13.728 148 H GLU 48 H GLU 48 -0.157 6.083 -16.180 149 HA GLU 48 HA GLU 48 -2.387 7.496 -17.373 150 1HB GLU 48 2HB GLU 48 0.373 8.650 -17.501 151 2HB GLU 48 1HB GLU 48 -1.149 9.447 -17.119 152 1HG GLU 48 2HG GLU 48 -0.875 7.667 -15.022 153 2HG GLU 48 1HG GLU 48 0.785 8.140 -15.339 154 H VAL 49 H VAL 49 0.652 6.109 -18.477 155 HA VAL 49 HA VAL 49 0.644 7.135 -21.135 156 HB VAL 49 HB VAL 49 1.697 4.457 -20.165 157 1HG1 VAL 49 1HG1 VAL 49 3.074 4.461 -22.113 158 2HG1 VAL 49 2HG1 VAL 49 2.672 6.137 -22.482 159 3HG1 VAL 49 3HG1 VAL 49 1.455 4.876 -22.679 160 1HG2 VAL 49 1HG2 VAL 49 2.442 6.972 -19.275 161 2HG2 VAL 49 2HG2 VAL 49 3.590 6.673 -20.578 162 3HG2 VAL 49 3HG2 VAL 49 3.466 5.538 -19.235 163 H ILE 50 H ILE 50 -0.414 3.893 -19.984 164 HA ILE 50 HA ILE 50 -1.711 3.095 -22.378 165 HB ILE 50 HB ILE 50 -2.554 2.435 -19.538 166 1HG1 ILE 50 2HG1 ILE 50 -0.892 0.590 -21.182 167 2HG1 ILE 50 1HG1 ILE 50 -0.079 2.011 -20.526 168 1HG2 ILE 50 1HG2 ILE 50 -2.931 0.900 -22.125 169 2HG2 ILE 50 2HG2 ILE 50 -4.190 1.850 -21.336 170 3HG2 ILE 50 3HG2 ILE 50 -3.521 0.431 -20.530 171 1HD1 ILE 50 1HD1 ILE 50 0.160 0.341 -18.850 172 2HD1 ILE 50 2HD1 ILE 50 -1.518 -0.175 -19.015 173 3HD1 ILE 50 3HD1 ILE 50 -1.142 1.381 -18.274 174 H CYS 51 H CYS 51 -2.646 5.407 -19.940 175 HA CYS 51 HA CYS 51 -5.441 5.524 -20.646 176 1HB CYS 51 2HB CYS 51 -4.276 6.333 -18.467 177 2HB CYS 51 1HB CYS 51 -3.881 7.781 -19.394 178 HG CYS 51 HG CYS 51 -6.391 8.314 -19.634 179 H LYS 52 H LYS 52 -2.574 7.485 -21.468 180 HA LYS 52 HA LYS 52 -3.869 9.409 -23.105 181 1HB LYS 52 2HB LYS 52 -1.103 8.258 -23.554 182 2HB LYS 52 1HB LYS 52 -1.698 9.811 -24.131 183 1HG LYS 52 2HG LYS 52 -1.516 10.804 -22.070 184 2HG LYS 52 1HG LYS 52 -1.876 9.313 -21.201 185 1HD LYS 52 2HD LYS 52 0.363 9.287 -20.769 186 2HD LYS 52 1HD LYS 52 0.495 8.657 -22.409 187 1HE LYS 52 2HE LYS 52 1.843 10.439 -22.785 188 2HE LYS 52 1HE LYS 52 0.350 11.375 -22.848 189 1HZ LYS 52 1HZ LYS 52 0.567 11.968 -20.595 190 2HZ LYS 52 2HZ LYS 52 2.106 12.203 -21.275 191 3HZ LYS 52 3HZ LYS 52 1.796 10.834 -20.319 192 H TYR 53 H TYR 53 -2.817 6.129 -23.817 193 HA TYR 53 HA TYR 53 -3.625 6.439 -26.653 194 1HB TYR 53 2HB TYR 53 -2.192 4.187 -25.207 195 2HB TYR 53 1HB TYR 53 -2.531 4.232 -26.926 196 HD1 TYR 53 HD1 TYR 53 -0.958 6.424 -24.304 197 HD2 TYR 53 HD2 TYR 53 -0.823 4.965 -28.335 198 HE1 TYR 53 HE1 TYR 53 1.156 7.642 -24.657 199 HE2 TYR 53 HE2 TYR 53 1.303 6.193 -28.693 200 HH TYR 53 HH TYR 53 2.423 8.585 -26.608 201 H VAL 54 H VAL 54 -4.819 5.220 -23.652 202 HA VAL 54 HA VAL 54 -7.149 4.043 -25.029 203 HB VAL 54 HB VAL 54 -5.837 2.323 -22.925 204 1HG1 VAL 54 1HG1 VAL 54 -8.214 2.060 -23.953 205 2HG1 VAL 54 2HG1 VAL 54 -7.193 0.628 -23.825 206 3HG1 VAL 54 3HG1 VAL 54 -7.361 1.454 -25.374 207 1HG2 VAL 54 1HG2 VAL 54 -4.086 2.715 -24.660 208 2HG2 VAL 54 2HG2 VAL 54 -5.222 2.181 -25.899 209 3HG2 VAL 54 3HG2 VAL 54 -4.663 1.047 -24.670 210 H GLN 55 H GLN 55 -7.647 2.730 -22.147 211 HA GLN 55 HA GLN 55 -7.777 4.934 -20.323 212 1HB GLN 55 2HB GLN 55 -9.772 4.943 -22.333 213 2HB GLN 55 1HB GLN 55 -10.568 4.413 -20.852 214 1HG GLN 55 2HG GLN 55 -9.383 6.393 -19.712 215 2HG GLN 55 1HG GLN 55 -9.052 6.978 -21.343 216 1HE2 GLN 55 1HE2 GLN 55 -11.327 7.142 -18.856 217 2HE2 GLN 55 2HE2 GLN 55 -12.670 7.636 -19.769 218 H ILE 56 H ILE 56 -7.358 3.667 -18.599 219 HA ILE 56 HA ILE 56 -9.298 1.508 -17.940 220 HB ILE 56 HB ILE 56 -7.232 0.194 -17.071 221 1HG1 ILE 56 2HG1 ILE 56 -5.691 1.316 -19.333 222 2HG1 ILE 56 1HG1 ILE 56 -5.868 2.412 -17.964 223 1HG2 ILE 56 1HG2 ILE 56 -8.783 -0.053 -19.249 224 2HG2 ILE 56 2HG2 ILE 56 -7.419 -1.125 -18.932 225 3HG2 ILE 56 3HG2 ILE 56 -7.234 0.229 -20.045 226 1HD1 ILE 56 1HD1 ILE 56 -5.266 0.142 -16.631 227 2HD1 ILE 56 2HD1 ILE 56 -4.033 1.264 -17.201 228 3HD1 ILE 56 3HD1 ILE 56 -4.415 -0.177 -18.141 229 H ASP 57 H ASP 57 -8.952 0.810 -15.589 230 HA ASP 57 HA ASP 57 -8.419 3.251 -13.968 231 1HB ASP 57 2HB ASP 57 -10.137 0.818 -13.627 232 2HB ASP 57 1HB ASP 57 -9.564 1.653 -12.184 233 HA PRO 58 HA PRO 58 -4.867 1.404 -12.077 234 1HB PRO 58 2HB PRO 58 -5.086 2.206 -9.469 235 2HB PRO 58 1HB PRO 58 -4.625 3.295 -10.787 236 1HG PRO 58 2HG PRO 58 -7.217 3.052 -9.357 237 2HG PRO 58 1HG PRO 58 -6.449 4.478 -10.071 238 1HD PRO 58 2HD PRO 58 -8.541 3.049 -11.228 239 2HD PRO 58 1HD PRO 58 -7.443 4.135 -12.106 240 H GLU 59 H GLU 59 -7.968 0.795 -10.546 241 HA GLU 59 HA GLU 59 -7.107 -1.430 -8.917 242 1HB GLU 59 2HB GLU 59 -9.803 -0.564 -9.987 243 2HB GLU 59 1HB GLU 59 -9.601 -2.001 -8.983 244 1HG GLU 59 2HG GLU 59 -8.424 -0.504 -7.291 245 2HG GLU 59 1HG GLU 59 -8.989 0.869 -8.244 246 H MET 60 H MET 60 -7.485 -1.046 -12.311 247 HA MET 60 HA MET 60 -8.099 -3.889 -12.801 248 1HB MET 60 2HB MET 60 -7.732 -1.441 -14.521 249 2HB MET 60 1HB MET 60 -7.718 -3.047 -15.240 250 1HG MET 60 2HG MET 60 -9.936 -2.558 -13.342 251 2HG MET 60 1HG MET 60 -9.988 -1.580 -14.807 252 1HE MET 60 1HE MET 60 -9.346 -2.428 -16.962 253 2HE MET 60 2HE MET 60 -11.078 -2.680 -17.167 254 3HE MET 60 3HE MET 60 -9.946 -3.930 -17.679 255 H VAL 61 H VAL 61 -5.345 -1.755 -12.599 256 HA VAL 61 HA VAL 61 -3.595 -3.766 -13.912 257 HB VAL 61 HB VAL 61 -2.892 -1.008 -12.866 258 1HG1 VAL 61 1HG1 VAL 61 -1.470 -2.684 -14.943 259 2HG1 VAL 61 2HG1 VAL 61 -1.065 -2.764 -13.229 260 3HG1 VAL 61 3HG1 VAL 61 -0.870 -1.249 -14.111 261 1HG2 VAL 61 1HG2 VAL 61 -4.294 -0.399 -14.586 262 2HG2 VAL 61 2HG2 VAL 61 -4.135 -1.954 -15.403 263 3HG2 VAL 61 3HG2 VAL 61 -2.860 -0.745 -15.552 264 H THR 62 H THR 62 -2.525 -5.202 -12.644 265 HA THR 62 HA THR 62 -2.473 -4.809 -9.737 266 HB THR 62 HB THR 62 -1.287 -7.155 -11.210 267 HG1 THR 62 HG1 THR 62 -3.996 -6.788 -10.452 268 1HG2 THR 62 1HG2 THR 62 -2.282 -8.255 -9.077 269 2HG2 THR 62 2HG2 THR 62 -2.378 -6.607 -8.459 270 3HG2 THR 62 3HG2 THR 62 -0.816 -7.288 -8.914 271 H VAL 63 H VAL 63 -0.464 -5.049 -8.526 272 HA VAL 63 HA VAL 63 2.041 -4.606 -10.061 273 HB VAL 63 HB VAL 63 1.178 -2.880 -7.724 274 1HG1 VAL 63 1HG1 VAL 63 3.598 -3.157 -7.864 275 2HG1 VAL 63 2HG1 VAL 63 3.175 -1.538 -8.421 276 3HG1 VAL 63 3HG1 VAL 63 3.570 -2.798 -9.591 277 1HG2 VAL 63 1HG2 VAL 63 -0.164 -2.307 -9.657 278 2HG2 VAL 63 2HG2 VAL 63 1.256 -2.334 -10.704 279 3HG2 VAL 63 3HG2 VAL 63 1.086 -1.076 -9.480 280 H GLN 64 H GLN 64 3.495 -6.056 -9.287 281 HA GLN 64 HA GLN 64 3.503 -6.656 -6.384 282 1HB GLN 64 2HB GLN 64 3.686 -9.094 -6.885 283 2HB GLN 64 1HB GLN 64 2.138 -8.417 -7.393 284 1HG GLN 64 2HG GLN 64 3.665 -8.015 -9.638 285 2HG GLN 64 1HG GLN 64 4.332 -9.529 -9.028 286 1HE2 GLN 64 1HE2 GLN 64 1.523 -8.058 -10.511 287 2HE2 GLN 64 2HE2 GLN 64 0.607 -9.480 -10.647 288 H LEU 65 H LEU 65 5.538 -6.481 -5.629 289 HA LEU 65 HA LEU 65 7.764 -6.498 -7.568 290 1HB LEU 65 2HB LEU 65 9.062 -5.563 -5.649 291 2HB LEU 65 1HB LEU 65 7.688 -4.570 -6.116 292 HG LEU 65 HG LEU 65 6.951 -6.593 -4.133 293 1HD1 LEU 65 1HD1 LEU 65 8.942 -4.478 -3.268 294 2HD1 LEU 65 2HD1 LEU 65 9.347 -6.181 -3.481 295 3HD1 LEU 65 3HD1 LEU 65 8.179 -5.700 -2.249 296 1HD2 LEU 65 1HD2 LEU 65 6.751 -3.597 -4.450 297 2HD2 LEU 65 2HD2 LEU 65 6.236 -4.393 -2.963 298 3HD2 LEU 65 3HD2 LEU 65 5.457 -4.795 -4.493 299 H GLU 66 H GLU 66 9.548 -7.832 -7.354 300 HA GLU 66 HA GLU 66 9.420 -9.974 -5.285 301 1HB GLU 66 2HB GLU 66 9.677 -10.260 -8.278 302 2HB GLU 66 1HB GLU 66 10.327 -11.495 -7.199 303 1HG GLU 66 2HG GLU 66 7.455 -10.523 -7.261 304 2HG GLU 66 1HG GLU 66 8.033 -12.045 -7.935 305 H GLN 67 H GLN 67 11.700 -11.249 -5.546 306 HA GLN 67 HA GLN 67 13.885 -9.379 -6.229 307 1HB GLN 67 2HB GLN 67 13.600 -10.526 -3.435 308 2HB GLN 67 1HB GLN 67 14.898 -9.478 -4.012 309 1HG GLN 67 2HG GLN 67 13.174 -7.722 -4.513 310 2HG GLN 67 1HG GLN 67 11.966 -8.756 -3.750 311 1HE2 GLN 67 1HE2 GLN 67 11.553 -7.582 -1.827 312 2HE2 GLN 67 2HE2 GLN 67 12.747 -7.203 -0.682 313 H LYS 68 H LYS 68 16.006 -10.448 -6.167 314 HA LYS 68 HA LYS 68 15.772 -13.421 -6.442 315 1HB LYS 68 2HB LYS 68 17.653 -11.510 -7.865 316 2HB LYS 68 1HB LYS 68 17.640 -13.263 -8.062 317 1HG LYS 68 2HG LYS 68 15.870 -13.196 -9.470 318 2HG LYS 68 1HG LYS 68 14.982 -12.087 -8.425 319 1HD LYS 68 2HD LYS 68 15.431 -10.986 -10.553 320 2HD LYS 68 1HD LYS 68 16.389 -10.212 -9.293 321 1HE LYS 68 2HE LYS 68 17.777 -10.595 -11.275 322 2HE LYS 68 1HE LYS 68 18.336 -11.610 -9.945 323 1HZ LYS 68 1HZ LYS 68 17.989 -12.645 -12.267 324 2HZ LYS 68 2HZ LYS 68 16.343 -12.645 -11.849 325 3HZ LYS 68 3HZ LYS 68 17.464 -13.497 -10.898 326 H ASP 69 H ASP 69 17.892 -14.558 -5.967 327 HA ASP 69 HA ASP 69 18.945 -13.598 -3.432 328 1HB ASP 69 2HB ASP 69 19.520 -16.048 -5.110 329 2HB ASP 69 1HB ASP 69 20.325 -15.724 -3.575 330 H GLY 70 H GLY 70 19.704 -11.612 -4.929 331 1HA GLY 70 2HA GLY 70 22.599 -11.759 -5.004 332 2HA GLY 70 1HA GLY 70 21.912 -11.700 -6.626 333 H ASP 71 H ASP 71 20.438 -10.114 -3.858 334 HA ASP 71 HA ASP 71 19.991 -7.857 -3.430 335 1HB ASP 71 2HB ASP 71 22.716 -7.724 -4.717 336 2HB ASP 71 1HB ASP 71 21.857 -6.250 -4.274 337 H ILE 72 H ILE 72 18.677 -8.972 -5.587 338 HA ILE 72 HA ILE 72 18.567 -6.678 -7.497 339 HB ILE 72 HB ILE 72 17.948 -9.543 -8.240 340 1HG1 ILE 72 2HG1 ILE 72 20.576 -8.030 -8.427 341 2HG1 ILE 72 1HG1 ILE 72 20.277 -9.527 -7.560 342 1HG2 ILE 72 1HG2 ILE 72 17.002 -7.785 -9.679 343 2HG2 ILE 72 2HG2 ILE 72 18.294 -8.627 -10.533 344 3HG2 ILE 72 3HG2 ILE 72 18.592 -7.037 -9.834 345 1HD1 ILE 72 1HD1 ILE 72 21.093 -9.210 -10.281 346 2HD1 ILE 72 2HD1 ILE 72 19.486 -9.934 -10.278 347 3HD1 ILE 72 3HD1 ILE 72 20.802 -10.709 -9.398 348 H SER 73 H SER 73 16.386 -6.359 -8.444 349 HA SER 73 HA SER 73 14.216 -7.468 -6.705 350 1HB SER 73 2HB SER 73 14.280 -4.679 -7.886 351 2HB SER 73 1HB SER 73 13.112 -5.322 -6.735 352 HG SER 73 HG SER 73 15.754 -4.501 -6.366 353 H ILE 74 H ILE 74 12.026 -7.226 -7.807 354 HA ILE 74 HA ILE 74 12.132 -7.252 -10.764 355 HB ILE 74 HB ILE 74 11.275 -9.602 -9.053 356 1HG1 ILE 74 2HG1 ILE 74 13.357 -9.269 -11.229 357 2HG1 ILE 74 1HG1 ILE 74 13.667 -9.499 -9.514 358 1HG2 ILE 74 1HG2 ILE 74 9.602 -9.304 -10.809 359 2HG2 ILE 74 2HG2 ILE 74 10.621 -10.686 -11.212 360 3HG2 ILE 74 3HG2 ILE 74 10.868 -9.141 -12.026 361 1HD1 ILE 74 1HD1 ILE 74 13.698 -11.721 -9.886 362 2HD1 ILE 74 2HD1 ILE 74 13.157 -11.500 -11.549 363 3HD1 ILE 74 3HD1 ILE 74 11.975 -11.631 -10.247 364 H LEU 75 H LEU 75 10.800 -5.353 -10.562 365 HA LEU 75 HA LEU 75 8.272 -5.497 -9.117 366 1HB LEU 75 2HB LEU 75 9.676 -3.394 -9.417 367 2HB LEU 75 1HB LEU 75 9.130 -3.378 -11.089 368 HG LEU 75 HG LEU 75 6.831 -3.768 -9.413 369 1HD1 LEU 75 1HD1 LEU 75 7.540 -2.689 -7.531 370 2HD1 LEU 75 2HD1 LEU 75 7.208 -1.243 -8.483 371 3HD1 LEU 75 3HD1 LEU 75 8.853 -1.868 -8.372 372 1HD2 LEU 75 1HD2 LEU 75 7.360 -2.543 -11.743 373 2HD2 LEU 75 2HD2 LEU 75 7.415 -1.131 -10.687 374 3HD2 LEU 75 3HD2 LEU 75 5.955 -2.118 -10.766 375 H GLU 76 H GLU 76 6.814 -6.872 -10.002 376 HA GLU 76 HA GLU 76 6.400 -6.839 -12.949 377 1HB GLU 76 2HB GLU 76 5.133 -8.690 -10.908 378 2HB GLU 76 1HB GLU 76 5.198 -8.911 -12.656 379 1HG GLU 76 2HG GLU 76 7.548 -9.325 -12.616 380 2HG GLU 76 1HG GLU 76 7.698 -8.735 -10.961 381 H LEU 77 H LEU 77 4.217 -6.508 -13.767 382 HA LEU 77 HA LEU 77 2.180 -5.578 -11.846 383 1HB LEU 77 2HB LEU 77 1.845 -3.443 -13.155 384 2HB LEU 77 1HB LEU 77 3.338 -3.502 -12.221 385 HG LEU 77 HG LEU 77 3.392 -4.453 -15.062 386 1HD1 LEU 77 1HD1 LEU 77 2.369 -2.411 -15.529 387 2HD1 LEU 77 2HD1 LEU 77 4.074 -1.960 -15.531 388 3HD1 LEU 77 3HD1 LEU 77 3.074 -1.621 -14.119 389 1HD2 LEU 77 1HD2 LEU 77 5.456 -4.738 -13.977 390 2HD2 LEU 77 2HD2 LEU 77 5.277 -3.253 -13.045 391 3HD2 LEU 77 3HD2 LEU 77 5.660 -3.174 -14.764 392 H ASN 78 H ASN 78 0.232 -6.302 -12.520 393 HA ASN 78 HA ASN 78 -0.010 -7.433 -15.234 394 1HB ASN 78 2HB ASN 78 -2.106 -7.354 -13.060 395 2HB ASN 78 1HB ASN 78 -2.013 -8.450 -14.423 396 1HD2 ASN 78 1HD2 ASN 78 0.935 -8.919 -14.091 397 2HD2 ASN 78 2HD2 ASN 78 1.089 -9.901 -12.718 398 H VAL 79 H VAL 79 -1.445 -6.607 -16.779 399 HA VAL 79 HA VAL 79 -2.796 -4.041 -16.041 400 HB VAL 79 HB VAL 79 -1.633 -4.727 -18.751 401 1HG1 VAL 79 1HG1 VAL 79 -2.146 -2.485 -19.322 402 2HG1 VAL 79 2HG1 VAL 79 -2.401 -2.029 -17.638 403 3HG1 VAL 79 3HG1 VAL 79 -3.574 -3.056 -18.461 404 1HG2 VAL 79 1HG2 VAL 79 -0.505 -2.819 -16.685 405 2HG2 VAL 79 2HG2 VAL 79 0.246 -3.333 -18.195 406 3HG2 VAL 79 3HG2 VAL 79 0.068 -4.477 -16.864 407 H THR 80 H THR 80 -4.778 -5.155 -15.652 408 HA THR 80 HA THR 80 -5.953 -6.854 -17.716 409 HB THR 80 HB THR 80 -7.283 -5.613 -15.291 410 HG1 THR 80 HG1 THR 80 -6.630 -7.392 -14.205 411 1HG2 THR 80 1HG2 THR 80 -8.680 -6.621 -17.198 412 2HG2 THR 80 2HG2 THR 80 -8.967 -7.260 -15.579 413 3HG2 THR 80 3HG2 THR 80 -7.987 -8.173 -16.726 414 H LEU 81 H LEU 81 -6.259 -5.636 -19.594 415 HA LEU 81 HA LEU 81 -7.620 -3.030 -19.430 416 1HB LEU 81 2HB LEU 81 -6.641 -4.625 -21.816 417 2HB LEU 81 1HB LEU 81 -7.208 -2.961 -21.853 418 HG LEU 81 HG LEU 81 -5.057 -3.583 -19.900 419 1HD1 LEU 81 1HD1 LEU 81 -3.832 -4.636 -21.517 420 2HD1 LEU 81 2HD1 LEU 81 -3.544 -2.991 -22.081 421 3HD1 LEU 81 3HD1 LEU 81 -4.804 -3.971 -22.830 422 1HD2 LEU 81 1HD2 LEU 81 -4.279 -1.342 -21.015 423 2HD2 LEU 81 2HD2 LEU 81 -5.677 -1.322 -19.941 424 3HD2 LEU 81 3HD2 LEU 81 -5.909 -1.317 -21.689 425 HA PRO 82 HA PRO 82 -11.560 -5.024 -20.289 426 1HB PRO 82 2HB PRO 82 -13.046 -2.751 -20.549 427 2HB PRO 82 1HB PRO 82 -12.484 -3.368 -18.988 428 1HG PRO 82 2HG PRO 82 -11.585 -1.011 -20.496 429 2HG PRO 82 1HG PRO 82 -11.426 -1.375 -18.772 430 1HD PRO 82 2HD PRO 82 -9.413 -1.618 -20.800 431 2HD PRO 82 1HD PRO 82 -9.283 -2.047 -19.080 432 H GLU 83 H GLU 83 -13.476 -4.491 -21.981 433 HA GLU 83 HA GLU 83 -12.427 -4.899 -24.597 434 1HB GLU 83 2HB GLU 83 -15.067 -4.592 -23.354 435 2HB GLU 83 1HB GLU 83 -15.010 -3.946 -24.992 436 1HG GLU 83 2HG GLU 83 -14.120 -6.069 -25.829 437 2HG GLU 83 1HG GLU 83 -14.090 -6.721 -24.191 438 H ALA 84 H ALA 84 -13.728 -3.226 -26.338 439 HA ALA 84 HA ALA 84 -13.575 -0.444 -25.743 440 1HB ALA 84 1HB ALA 84 -11.248 -1.251 -27.457 441 2HB ALA 84 2HB ALA 84 -11.082 -1.307 -25.703 442 3HB ALA 84 3HB ALA 84 -11.472 0.215 -26.502 443 H GLU 85 H GLU 85 -14.815 0.504 -27.281 444 HA GLU 85 HA GLU 85 -15.827 -0.929 -29.527 445 1HB GLU 85 2HB GLU 85 -16.683 1.248 -28.262 446 2HB GLU 85 1HB GLU 85 -15.789 2.061 -29.546 447 1HG GLU 85 2HG GLU 85 -17.173 1.251 -31.219 448 2HG GLU 85 1HG GLU 85 -17.623 -0.183 -30.294 449 H GLU 86 H GLU 86 -15.244 -0.864 -31.711 450 HA GLU 86 HA GLU 86 -12.493 -0.063 -32.274 451 1HB GLU 86 2HB GLU 86 -13.610 -2.206 -33.114 452 2HB GLU 86 1HB GLU 86 -14.497 -1.180 -34.242 453 1HG GLU 86 2HG GLU 86 -12.651 -1.724 -35.539 454 2HG GLU 86 1HG GLU 86 -12.078 -0.239 -34.779 455 H LEU 87 H LEU 87 -13.614 2.254 -31.720 456 HA LEU 87 HA LEU 87 -14.205 3.498 -34.376 457 1HB LEU 87 2HB LEU 87 -15.559 3.792 -31.736 458 2HB LEU 87 1HB LEU 87 -15.366 5.255 -32.703 459 HG LEU 87 HG LEU 87 -16.395 2.755 -34.009 460 1HD1 LEU 87 1HD1 LEU 87 -18.715 3.570 -33.457 461 2HD1 LEU 87 2HD1 LEU 87 -17.989 4.690 -32.305 462 3HD1 LEU 87 3HD1 LEU 87 -17.826 2.950 -32.066 463 1HD2 LEU 87 1HD2 LEU 87 -17.704 4.623 -35.232 464 2HD2 LEU 87 2HD2 LEU 87 -15.967 4.524 -35.529 465 3HD2 LEU 87 3HD2 LEU 87 -16.607 5.740 -34.422 466 H LYS 88 HN LYS 88 -11.593 3.209 -33.401 467 HA LYS 88 HA LYS 88 -10.904 6.054 -32.807 468 1HB LYS 88 2HB LYS 88 -10.660 4.167 -30.900 469 2HB LYS 88 1HB LYS 88 -9.121 3.926 -31.728 470 1HG LYS 88 2HG LYS 88 -8.340 6.036 -31.188 471 2HG LYS 88 1HG LYS 88 -9.960 6.728 -31.100 472 1HD LYS 88 2HD LYS 88 -10.153 4.978 -29.071 473 2HD LYS 88 1HD LYS 88 -8.412 5.258 -29.022 474 1HE LYS 88 2HE LYS 88 -8.711 7.619 -28.735 475 2HE LYS 88 1HE LYS 88 -10.434 7.509 -29.098 476 1HZ LYS 88 1HZ LYS 88 -9.149 6.160 -26.789 477 2HZ LYS 88 2HZ LYS 88 -10.812 6.312 -27.098 478 3HZ LYS 88 3HZ LYS 88 -9.891 7.681 -26.691 479 1H ARG 31 1H ARG 31 3.210 -11.516 -34.637 480 2H ARG 31 2H ARG 31 4.069 -12.132 -33.307 481 3H ARG 31 3H ARG 31 4.890 -11.305 -34.543 482 HA ARG 31 HA ARG 31 4.465 -10.033 -32.410 483 1HB ARG 31 2HB ARG 31 4.897 -9.196 -34.899 484 2HB ARG 31 1HB ARG 31 3.236 -8.619 -34.746 485 1HG ARG 31 2HG ARG 31 3.773 -7.076 -33.124 486 2HG ARG 31 1HG ARG 31 5.089 -8.057 -32.477 487 1HD ARG 31 2HD ARG 31 5.468 -7.080 -35.252 488 2HD ARG 31 1HD ARG 31 5.491 -5.842 -33.996 489 HE ARG 31 HE ARG 31 7.560 -7.798 -34.466 490 1HH1 ARG 31 1HH2 ARG 31 5.892 -6.049 -31.936 491 2HH1 ARG 31 2HH2 ARG 31 7.237 -6.134 -30.853 492 1HH2 ARG 31 1HH1 ARG 31 9.274 -7.884 -33.032 493 2HH2 ARG 31 2HH1 ARG 31 9.132 -7.161 -31.464 494 H SER 32 H SER 32 2.603 -11.461 -31.502 495 HA SER 32 HA SER 32 -0.114 -10.966 -32.167 496 1HB SER 32 2HB SER 32 0.786 -11.524 -29.351 497 2HB SER 32 1HB SER 32 -0.665 -12.086 -30.177 498 HG SER 32 HG SER 32 0.490 -13.575 -31.221 499 H ASP 33 H ASP 33 2.181 -8.988 -30.463 500 HA ASP 33 HA ASP 33 0.110 -7.370 -29.181 501 1HB ASP 33 2HB ASP 33 2.041 -5.968 -28.440 502 2HB ASP 33 1HB ASP 33 2.186 -7.662 -27.972 503 H ALA 34 H ALA 34 0.730 -7.589 -32.298 504 HA ALA 34 HA ALA 34 1.138 -4.744 -32.886 505 1HB ALA 34 1HB ALA 34 1.064 -7.270 -34.501 506 2HB ALA 34 2HB ALA 34 2.308 -6.020 -34.448 507 3HB ALA 34 3HB ALA 34 0.796 -5.723 -35.307 508 H GLU 35 H GLU 35 -1.455 -6.956 -32.409 509 HA GLU 35 HA GLU 35 -3.424 -5.979 -34.171 510 1HB GLU 35 2HB GLU 35 -3.900 -6.940 -31.336 511 2HB GLU 35 1HB GLU 35 -5.062 -6.928 -32.656 512 1HG GLU 35 2HG GLU 35 -2.552 -8.327 -33.309 513 2HG GLU 35 1HG GLU 35 -3.455 -9.067 -31.989 514 HA PRO 36 HA PRO 36 -4.550 -2.590 -30.991 515 1HB PRO 36 2HB PRO 36 -2.927 -2.184 -28.834 516 2HB PRO 36 1HB PRO 36 -4.263 -3.345 -28.841 517 1HG PRO 36 2HG PRO 36 -1.370 -3.834 -28.863 518 2HG PRO 36 1HG PRO 36 -2.692 -4.913 -28.401 519 1HD PRO 36 2HD PRO 36 -1.223 -4.885 -30.869 520 2HD PRO 36 1HD PRO 36 -2.557 -5.952 -30.412 521 H HIS 37 H HIS 37 -0.979 -2.857 -30.980 522 HA HIS 37 HA HIS 37 0.642 -1.494 -31.980 523 1HB HIS 37 2HB HIS 37 -1.410 -0.905 -33.593 524 2HB HIS 37 1HB HIS 37 -1.279 0.649 -32.769 525 HD1 HIS 37 HD1 HIS 37 1.425 -1.780 -33.947 526 HD2 HIS 37 HD2 HIS 37 0.297 2.206 -34.421 527 HE1 HIS 37 HE1 HIS 37 3.208 -0.696 -35.383 528 H TYR 38 H TYR 38 -1.474 -0.574 -29.494 529 HA TYR 38 HA TYR 38 0.306 1.712 -28.779 530 1HB TYR 38 2HB TYR 38 -1.639 2.424 -27.292 531 2HB TYR 38 1HB TYR 38 -1.915 2.572 -29.026 532 HD1 TYR 38 HD1 TYR 38 -3.387 1.000 -30.211 533 HD2 TYR 38 HD2 TYR 38 -2.797 0.741 -25.965 534 HE1 TYR 38 HE1 TYR 38 -5.363 -0.486 -30.028 535 HE2 TYR 38 HE2 TYR 38 -4.773 -0.746 -25.782 536 HH TYR 38 HH TYR 38 -6.957 -1.090 -27.259 537 H LEU 39 H LEU 39 -1.167 -1.296 -27.725 538 HA LEU 39 HA LEU 39 -0.622 -1.248 -24.968 539 1HB LEU 39 2HB LEU 39 -1.426 -3.164 -26.886 540 2HB LEU 39 1HB LEU 39 -0.036 -3.866 -26.066 541 HG LEU 39 HG LEU 39 -2.086 -4.468 -24.869 542 1HD1 LEU 39 1HD1 LEU 39 -0.991 -2.328 -23.094 543 2HD1 LEU 39 2HD1 LEU 39 0.129 -3.565 -23.667 544 3HD1 LEU 39 3HD1 LEU 39 -1.300 -4.028 -22.743 545 1HD2 LEU 39 1HD2 LEU 39 -3.202 -2.254 -25.739 546 2HD2 LEU 39 2HD2 LEU 39 -2.592 -1.576 -24.231 547 3HD2 LEU 39 3HD2 LEU 39 -3.713 -2.937 -24.196 548 HA PRO 40 HA PRO 40 3.806 -2.939 -25.856 549 1HB PRO 40 2HB PRO 40 4.739 -2.815 -28.428 550 2HB PRO 40 1HB PRO 40 3.911 -4.223 -27.745 551 1HG PRO 40 2HG PRO 40 2.902 -2.178 -29.640 552 2HG PRO 40 1HG PRO 40 2.465 -3.884 -29.475 553 1HD PRO 40 2HD PRO 40 0.951 -1.732 -28.550 554 2HD PRO 40 1HD PRO 40 0.766 -3.418 -28.021 555 H GLN 41 H GLN 41 2.537 -0.100 -27.394 556 HA GLN 41 HA GLN 41 5.039 1.373 -27.551 557 1HB GLN 41 2HB GLN 41 3.111 2.004 -28.949 558 2HB GLN 41 1HB GLN 41 2.141 2.299 -27.507 559 1HG GLN 41 2HG GLN 41 2.972 4.426 -28.373 560 2HG GLN 41 1HG GLN 41 3.753 4.079 -26.830 561 1HE2 GLN 41 1HE2 GLN 41 5.796 5.071 -27.171 562 2HE2 GLN 41 2HE2 GLN 41 6.855 4.632 -28.422 563 H LEU 42 H LEU 42 2.436 0.951 -25.208 564 HA LEU 42 HA LEU 42 3.380 2.962 -23.388 565 1HB LEU 42 2HB LEU 42 1.570 0.576 -22.938 566 2HB LEU 42 1HB LEU 42 1.859 1.828 -21.762 567 HG LEU 42 HG LEU 42 0.244 3.116 -22.648 568 1HD1 LEU 42 1HD1 LEU 42 1.943 3.914 -24.352 569 2HD1 LEU 42 2HD1 LEU 42 0.263 4.028 -24.865 570 3HD1 LEU 42 3HD1 LEU 42 1.278 2.721 -25.465 571 1HD2 LEU 42 1HD2 LEU 42 -1.125 1.295 -23.047 572 2HD2 LEU 42 2HD2 LEU 42 -0.054 0.626 -24.277 573 3HD2 LEU 42 3HD2 LEU 42 -1.068 2.019 -24.654 574 H ARG 43 H ARG 43 3.522 -0.629 -23.279 575 HA ARG 43 HA ARG 43 5.071 -0.922 -20.976 576 1HB ARG 43 2HB ARG 43 5.757 -3.073 -21.822 577 2HB ARG 43 1HB ARG 43 4.110 -2.786 -22.340 578 1HG ARG 43 2HG ARG 43 4.949 -2.037 -24.545 579 2HG ARG 43 1HG ARG 43 6.591 -2.416 -24.031 580 1HD ARG 43 2HD ARG 43 5.829 -4.775 -23.591 581 2HD ARG 43 1HD ARG 43 4.281 -4.355 -24.326 582 HE ARG 43 HE ARG 43 6.522 -3.705 -26.054 583 1HH1 ARG 43 1HH2 ARG 43 4.416 -6.281 -24.978 584 2HH1 ARG 43 2HH2 ARG 43 4.636 -7.200 -26.426 585 1HH2 ARG 43 2HH1 ARG 43 6.779 -4.928 -27.909 586 2HH2 ARG 43 1HH1 ARG 43 5.958 -6.444 -28.068 587 H LYS 44 H LYS 44 6.291 -0.276 -24.286 588 HA LYS 44 HA LYS 44 9.032 -0.322 -23.499 589 1HB LYS 44 2HB LYS 44 9.469 0.826 -25.627 590 2HB LYS 44 1HB LYS 44 8.340 -0.500 -25.865 591 1HG LYS 44 2HG LYS 44 6.477 1.003 -25.953 592 2HG LYS 44 1HG LYS 44 7.462 2.363 -25.425 593 1HD LYS 44 2HD LYS 44 7.222 2.591 -27.798 594 2HD LYS 44 1HD LYS 44 8.862 2.004 -27.520 595 1HE LYS 44 2HE LYS 44 8.279 -0.222 -28.142 596 2HE LYS 44 1HE LYS 44 6.552 0.133 -28.069 597 1HZ LYS 44 1HZ LYS 44 7.088 0.183 -30.326 598 2HZ LYS 44 2HZ LYS 44 8.531 1.044 -30.068 599 3HZ LYS 44 3HZ LYS 44 7.031 1.819 -29.879 600 H ASP 45 H ASP 45 6.494 2.108 -23.314 601 HA ASP 45 HA ASP 45 8.195 4.369 -22.902 602 1HB ASP 45 2HB ASP 45 5.366 3.850 -21.947 603 2HB ASP 45 1HB ASP 45 6.185 5.395 -21.844 604 H ILE 46 H ILE 46 6.605 2.128 -20.564 605 HA ILE 46 HA ILE 46 7.631 3.361 -18.212 606 HB ILE 46 HB ILE 46 5.910 1.410 -18.464 607 1HG1 ILE 46 2HG1 ILE 46 6.440 0.745 -16.102 608 2HG1 ILE 46 1HG1 ILE 46 7.939 1.658 -16.244 609 1HG2 ILE 46 1HG2 ILE 46 8.072 -0.408 -17.587 610 2HG2 ILE 46 2HG2 ILE 46 8.021 -0.064 -19.313 611 3HG2 ILE 46 3HG2 ILE 46 6.612 -0.755 -18.513 612 1HD1 ILE 46 1HD1 ILE 46 5.298 2.624 -15.683 613 2HD1 ILE 46 2HD1 ILE 46 5.861 3.347 -17.189 614 3HD1 ILE 46 3HD1 ILE 46 6.810 3.524 -15.714 615 H LEU 47 H LEU 47 9.151 1.132 -20.491 616 HA LEU 47 HA LEU 47 11.472 0.525 -18.935 617 1HB LEU 47 2HB LEU 47 10.891 0.615 -21.893 618 2HB LEU 47 1HB LEU 47 12.518 0.286 -21.308 619 HG LEU 47 HG LEU 47 10.094 -1.257 -20.367 620 1HD1 LEU 47 1HD1 LEU 47 10.426 -2.846 -22.038 621 2HD1 LEU 47 2HD1 LEU 47 12.097 -2.354 -22.315 622 3HD1 LEU 47 3HD1 LEU 47 10.772 -1.357 -22.918 623 1HD2 LEU 47 1HD2 LEU 47 11.795 -1.622 -18.813 624 2HD2 LEU 47 2HD2 LEU 47 13.071 -1.438 -20.016 625 3HD2 LEU 47 3HD2 LEU 47 12.110 -2.915 -19.970 626 H GLU 48 H GLU 48 10.708 3.132 -21.211 627 HA GLU 48 HA GLU 48 13.265 4.464 -20.922 628 1HB GLU 48 2HB GLU 48 10.828 6.025 -21.691 629 2HB GLU 48 1HB GLU 48 12.454 6.100 -22.359 630 1HG GLU 48 2HG GLU 48 11.663 3.537 -23.024 631 2HG GLU 48 1HG GLU 48 10.167 4.445 -23.163 632 H VAL 49 H VAL 49 10.086 4.672 -19.431 633 HA VAL 49 HA VAL 49 10.496 7.033 -17.889 634 HB VAL 49 HB VAL 49 8.835 4.594 -17.171 635 1HG1 VAL 49 1HG1 VAL 49 7.630 6.033 -15.699 636 2HG1 VAL 49 2HG1 VAL 49 8.403 7.475 -16.358 637 3HG1 VAL 49 3HG1 VAL 49 9.335 6.347 -15.374 638 1HG2 VAL 49 1HG2 VAL 49 8.579 6.195 -19.420 639 2HG2 VAL 49 2HG2 VAL 49 7.488 6.969 -18.273 640 3HG2 VAL 49 3HG2 VAL 49 7.275 5.267 -18.682 641 H ILE 50 H ILE 50 10.760 3.601 -16.840 642 HA ILE 50 HA ILE 50 12.023 4.108 -14.350 643 HB ILE 50 HB ILE 50 12.507 1.746 -16.193 644 1HG1 ILE 50 2HG1 ILE 50 10.610 1.621 -13.901 645 2HG1 ILE 50 1HG1 ILE 50 10.073 2.519 -15.320 646 1HG2 ILE 50 1HG2 ILE 50 12.729 1.986 -13.179 647 2HG2 ILE 50 2HG2 ILE 50 14.103 1.999 -14.286 648 3HG2 ILE 50 3HG2 ILE 50 13.095 0.558 -14.149 649 1HD1 ILE 50 1HD1 ILE 50 9.369 0.282 -15.708 650 2HD1 ILE 50 2HD1 ILE 50 10.907 -0.380 -15.155 651 3HD1 ILE 50 3HD1 ILE 50 10.819 0.480 -16.693 652 H CYS 51 H CYS 51 13.255 4.284 -17.609 653 HA CYS 51 HA CYS 51 16.053 4.198 -16.913 654 1HB CYS 51 2HB CYS 51 14.937 3.797 -19.226 655 2HB CYS 51 1HB CYS 51 14.922 5.556 -19.356 656 HG CYS 51 HG CYS 51 17.499 5.582 -19.300 657 H LYS 52 H LYS 52 13.731 6.821 -17.601 658 HA LYS 52 HA LYS 52 15.516 9.010 -17.320 659 1HB LYS 52 2HB LYS 52 12.607 8.961 -16.476 660 2HB LYS 52 1HB LYS 52 13.556 10.386 -16.882 661 1HG LYS 52 2HG LYS 52 13.446 9.990 -19.138 662 2HG LYS 52 1HG LYS 52 13.420 8.239 -18.939 663 1HD LYS 52 2HD LYS 52 11.201 8.439 -19.429 664 2HD LYS 52 1HD LYS 52 11.053 8.938 -17.745 665 1HE LYS 52 2HE LYS 52 10.143 10.837 -18.583 666 2HE LYS 52 1HE LYS 52 11.801 11.289 -18.978 667 1HZ LYS 52 1HZ LYS 52 11.559 10.474 -21.158 668 2HZ LYS 52 2HZ LYS 52 10.157 11.384 -20.855 669 3HZ LYS 52 3HZ LYS 52 10.100 9.687 -20.799 670 H TYR 53 H TYR 53 13.844 7.088 -14.894 671 HA TYR 53 HA TYR 53 14.896 8.824 -12.732 672 1HB TYR 53 2HB TYR 53 12.921 6.521 -12.677 673 2HB TYR 53 1HB TYR 53 13.382 7.493 -11.293 674 HD1 TYR 53 HD1 TYR 53 12.129 7.999 -14.804 675 HD2 TYR 53 HD2 TYR 53 11.970 9.255 -10.707 676 HE1 TYR 53 HE1 TYR 53 10.352 9.606 -15.383 677 HE2 TYR 53 HE2 TYR 53 10.183 10.876 -11.287 678 HH TYR 53 HH TYR 53 9.451 11.757 -14.451 679 H VAL 54 H VAL 54 15.593 5.857 -14.353 680 HA VAL 54 HA VAL 54 17.710 5.252 -12.389 681 HB VAL 54 HB VAL 54 15.919 2.952 -13.167 682 1HG1 VAL 54 1HG1 VAL 54 18.252 2.847 -12.017 683 2HG1 VAL 54 2HG1 VAL 54 16.945 1.869 -11.352 684 3HG1 VAL 54 3HG1 VAL 54 17.391 3.388 -10.576 685 1HG2 VAL 54 1HG2 VAL 54 14.418 4.647 -12.120 686 2HG2 VAL 54 2HG2 VAL 54 15.498 4.718 -10.728 687 3HG2 VAL 54 3HG2 VAL 54 14.627 3.229 -11.093 688 H GLN 55 H GLN 55 17.716 2.428 -13.907 689 HA GLN 55 HA GLN 55 18.183 3.051 -16.663 690 1HB GLN 55 2HB GLN 55 20.269 3.816 -14.908 691 2HB GLN 55 1HB GLN 55 20.830 2.365 -15.734 692 1HG GLN 55 2HG GLN 55 20.014 3.493 -17.900 693 2HG GLN 55 1HG GLN 55 19.930 4.978 -16.952 694 1HE2 GLN 55 1HE2 GLN 55 22.008 3.164 -18.893 695 2HE2 GLN 55 2HE2 GLN 55 23.486 3.800 -18.355 696 H ILE 56 H ILE 56 17.385 1.138 -17.338 697 HA ILE 56 HA ILE 56 18.771 -1.346 -16.466 698 HB ILE 56 HB ILE 56 16.420 -2.445 -16.539 699 1HG1 ILE 56 2HG1 ILE 56 15.313 0.087 -15.482 700 2HG1 ILE 56 1HG1 ILE 56 15.623 0.101 -17.217 701 1HG2 ILE 56 1HG2 ILE 56 18.031 -1.688 -14.529 702 2HG2 ILE 56 2HG2 ILE 56 16.452 -2.423 -14.251 703 3HG2 ILE 56 3HG2 ILE 56 16.637 -0.671 -14.162 704 1HD1 ILE 56 1HD1 ILE 56 14.462 -2.328 -17.001 705 2HD1 ILE 56 2HD1 ILE 56 13.536 -0.854 -17.288 706 3HD1 ILE 56 3HD1 ILE 56 13.669 -1.509 -15.656 707 H ASP 57 H ASP 57 18.122 -3.199 -17.978 708 HA ASP 57 HA ASP 57 18.008 -2.132 -20.755 709 1HB ASP 57 2HB ASP 57 19.143 -4.596 -19.480 710 2HB ASP 57 1HB ASP 57 18.661 -4.669 -21.174 711 HA PRO 58 HA PRO 58 14.021 -3.932 -21.442 712 1HB PRO 58 2HB PRO 58 14.222 -4.882 -24.002 713 2HB PRO 58 1HB PRO 58 14.096 -3.160 -23.611 714 1HG PRO 58 2HG PRO 58 16.471 -4.739 -24.440 715 2HG PRO 58 1HG PRO 58 16.075 -3.042 -24.756 716 1HD PRO 58 2HD PRO 58 17.892 -3.923 -22.837 717 2HD PRO 58 1HD PRO 58 17.112 -2.327 -22.843 718 H GLU 59 H GLU 59 16.809 -5.963 -22.103 719 HA GLU 59 HA GLU 59 15.384 -8.476 -22.170 720 1HB GLU 59 2HB GLU 59 18.270 -7.742 -21.628 721 2HB GLU 59 1HB GLU 59 17.698 -9.411 -21.609 722 1HG GLU 59 2HG GLU 59 16.751 -8.985 -23.933 723 2HG GLU 59 1HG GLU 59 17.658 -7.474 -23.931 724 H MET 60 H MET 60 16.071 -6.264 -19.632 725 HA MET 60 HA MET 60 16.101 -8.326 -17.525 726 1HB MET 60 2HB MET 60 16.382 -5.326 -17.601 727 2HB MET 60 1HB MET 60 16.079 -6.155 -16.079 728 1HG MET 60 2HG MET 60 18.212 -7.357 -17.742 729 2HG MET 60 1HG MET 60 18.572 -5.744 -17.132 730 1HE MET 60 1HE MET 60 17.917 -5.005 -14.940 731 2HE MET 60 2HE MET 60 19.566 -5.448 -14.506 732 3HE MET 60 3HE MET 60 18.233 -5.884 -13.438 733 H VAL 61 H VAL 61 13.854 -6.194 -19.133 734 HA VAL 61 HA VAL 61 11.814 -6.622 -17.016 735 HB VAL 61 HB VAL 61 11.640 -4.933 -19.529 736 1HG1 VAL 61 1HG1 VAL 61 10.044 -4.721 -16.969 737 2HG1 VAL 61 2HG1 VAL 61 9.511 -5.704 -18.332 738 3HG1 VAL 61 3HG1 VAL 61 9.706 -3.962 -18.524 739 1HG2 VAL 61 1HG2 VAL 61 13.255 -3.745 -18.402 740 2HG2 VAL 61 2HG2 VAL 61 12.829 -4.447 -16.841 741 3HG2 VAL 61 3HG2 VAL 61 11.852 -3.144 -17.519 742 H THR 62 H THR 62 10.378 -8.262 -17.270 743 HA THR 62 HA THR 62 10.207 -9.652 -19.849 744 HB THR 62 HB THR 62 8.658 -10.368 -17.367 745 HG1 THR 62 HG1 THR 62 11.323 -11.100 -18.004 746 1HG2 THR 62 1HG2 THR 62 9.245 -12.690 -18.370 747 2HG2 THR 62 2HG2 THR 62 9.646 -11.786 -19.830 748 3HG2 THR 62 3HG2 THR 62 8.010 -11.719 -19.173 749 H VAL 63 H VAL 63 8.114 -10.125 -20.825 750 HA VAL 63 HA VAL 63 5.873 -8.347 -20.022 751 HB VAL 63 HB VAL 63 6.917 -8.552 -22.859 752 1HG1 VAL 63 1HG1 VAL 63 4.510 -8.174 -22.754 753 2HG1 VAL 63 2HG1 VAL 63 5.304 -6.672 -23.225 754 3HG1 VAL 63 3HG1 VAL 63 4.733 -6.886 -21.570 755 1HG2 VAL 63 1HG2 VAL 63 8.481 -7.255 -21.544 756 2HG2 VAL 63 2HG2 VAL 63 7.165 -6.360 -20.783 757 3HG2 VAL 63 3HG2 VAL 63 7.511 -6.132 -22.498 758 H GLN 64 H GLN 64 4.094 -9.625 -19.896 759 HA GLN 64 HA GLN 64 3.757 -11.798 -21.886 760 1HB GLN 64 2HB GLN 64 3.097 -13.369 -20.064 761 2HB GLN 64 1HB GLN 64 4.784 -12.870 -19.943 762 1HG GLN 64 2HG GLN 64 3.538 -10.914 -18.474 763 2HG GLN 64 1HG GLN 64 2.525 -12.313 -18.125 764 1HE2 GLN 64 1HE2 GLN 64 5.678 -10.888 -17.596 765 2HE2 GLN 64 2HE2 GLN 64 6.279 -12.113 -16.587 766 H LEU 65 H LEU 65 1.758 -11.672 -22.739 767 HA LEU 65 HA LEU 65 -0.281 -10.074 -21.321 768 1HB LEU 65 2HB LEU 65 -1.481 -10.197 -23.508 769 2HB LEU 65 1HB LEU 65 0.100 -9.437 -23.620 770 HG LEU 65 HG LEU 65 0.252 -12.339 -23.978 771 1HD1 LEU 65 1HD1 LEU 65 -1.301 -10.774 -26.059 772 2HD1 LEU 65 2HD1 LEU 65 -2.042 -11.892 -24.915 773 3HD1 LEU 65 3HD1 LEU 65 -0.888 -12.487 -26.108 774 1HD2 LEU 65 1HD2 LEU 65 1.104 -9.855 -25.468 775 2HD2 LEU 65 2HD2 LEU 65 1.333 -11.459 -26.165 776 3HD2 LEU 65 3HD2 LEU 65 2.115 -11.040 -24.641 777 H GLU 66 H GLU 66 -2.318 -10.864 -20.835 778 HA GLU 66 HA GLU 66 -2.793 -13.778 -21.237 779 1HB GLU 66 2HB GLU 66 -2.893 -12.192 -18.674 780 2HB GLU 66 1HB GLU 66 -3.863 -13.651 -18.863 781 1HG GLU 66 2HG GLU 66 -0.854 -13.466 -19.183 782 2HG GLU 66 1HG GLU 66 -1.693 -14.136 -17.787 783 H GLN 67 H GLN 67 -5.265 -14.140 -20.437 784 HA GLN 67 HA GLN 67 -6.951 -11.814 -21.138 785 1HB GLN 67 2HB GLN 67 -7.112 -14.411 -22.697 786 2HB GLN 67 1HB GLN 67 -8.114 -12.981 -22.938 787 1HG GLN 67 2HG GLN 67 -6.027 -11.678 -23.444 788 2HG GLN 67 1HG GLN 67 -5.121 -13.190 -23.368 789 1HE2 GLN 67 1HE2 GLN 67 -4.605 -13.490 -25.579 790 2HE2 GLN 67 2HE2 GLN 67 -5.768 -13.614 -26.808 791 H LYS 68 H LYS 68 -9.250 -12.237 -20.708 792 HA LYS 68 HA LYS 68 -9.632 -14.448 -18.725 793 1HB LYS 68 2HB LYS 68 -10.962 -11.721 -18.830 794 2HB LYS 68 1HB LYS 68 -11.306 -12.977 -17.642 795 1HG LYS 68 2HG LYS 68 -9.468 -12.474 -16.422 796 2HG LYS 68 1HG LYS 68 -8.441 -12.408 -17.853 797 1HD LYS 68 2HD LYS 68 -8.496 -10.203 -16.814 798 2HD LYS 68 1HD LYS 68 -9.355 -10.136 -18.353 799 1HE LYS 68 2HE LYS 68 -10.650 -8.977 -16.625 800 2HE LYS 68 1HE LYS 68 -11.504 -10.432 -17.142 801 1HZ LYS 68 1HZ LYS 68 -11.222 -9.951 -14.637 802 2HZ LYS 68 2HZ LYS 68 -9.647 -10.545 -14.860 803 3HZ LYS 68 3HZ LYS 68 -10.987 -11.531 -15.204 804 H ASP 69 H ASP 69 -11.973 -15.166 -18.587 805 HA ASP 69 HA ASP 69 -12.973 -15.681 -21.270 806 1HB ASP 69 2HB ASP 69 -13.936 -16.486 -18.517 807 2HB ASP 69 1HB ASP 69 -14.760 -16.966 -20.002 808 H GLY 70 H GLY 70 -13.188 -13.088 -21.281 809 1HA GLY 70 2HA GLY 70 -16.036 -12.547 -21.338 810 2HA GLY 70 1HA GLY 70 -15.240 -11.695 -20.015 811 H ASP 71 H ASP 71 -13.659 -12.393 -23.076 812 HA ASP 71 HA ASP 71 -12.776 -10.975 -24.714 813 1HB ASP 71 2HB ASP 71 -15.314 -9.538 -23.945 814 2HB ASP 71 1HB ASP 71 -14.196 -8.829 -25.108 815 H ILE 72 H ILE 72 -11.582 -10.858 -22.228 816 HA ILE 72 HA ILE 72 -10.855 -7.968 -22.028 817 HB ILE 72 HB ILE 72 -10.806 -9.901 -19.704 818 1HG1 ILE 72 2HG1 ILE 72 -13.034 -8.052 -20.624 819 2HG1 ILE 72 1HG1 ILE 72 -13.120 -9.794 -20.424 820 1HG2 ILE 72 1HG2 ILE 72 -9.411 -7.884 -19.509 821 2HG2 ILE 72 2HG2 ILE 72 -10.790 -7.765 -18.416 822 3HG2 ILE 72 3HG2 ILE 72 -10.792 -6.871 -19.935 823 1HD1 ILE 72 1HD1 ILE 72 -13.660 -7.777 -18.473 824 2HD1 ILE 72 2HD1 ILE 72 -12.246 -8.683 -17.937 825 3HD1 ILE 72 3HD1 ILE 72 -13.754 -9.527 -18.284 826 H SER 73 H SER 73 -8.595 -7.626 -21.299 827 HA SER 73 HA SER 73 -6.834 -9.974 -21.899 828 1HB SER 73 2HB SER 73 -6.224 -7.087 -22.590 829 2HB SER 73 1HB SER 73 -5.303 -8.513 -23.057 830 HG SER 73 HG SER 73 -7.730 -7.527 -24.022 831 H ILE 74 H ILE 74 -4.573 -9.600 -20.999 832 HA ILE 74 HA ILE 74 -4.476 -7.862 -18.607 833 HB ILE 74 HB ILE 74 -4.256 -10.883 -18.547 834 1HG1 ILE 74 2HG1 ILE 74 -6.064 -8.905 -17.132 835 2HG1 ILE 74 1HG1 ILE 74 -6.534 -10.026 -18.403 836 1HG2 ILE 74 1HG2 ILE 74 -2.440 -9.974 -17.189 837 2HG2 ILE 74 2HG2 ILE 74 -3.698 -10.601 -16.124 838 3HG2 ILE 74 3HG2 ILE 74 -3.555 -8.864 -16.391 839 1HD1 ILE 74 1HD1 ILE 74 -7.010 -11.536 -16.800 840 2HD1 ILE 74 2HD1 ILE 74 -6.320 -10.502 -15.551 841 3HD1 ILE 74 3HD1 ILE 74 -5.287 -11.620 -16.441 842 H LEU 75 H LEU 75 -2.789 -6.778 -19.791 843 HA LEU 75 HA LEU 75 -0.455 -8.275 -20.695 844 1HB LEU 75 2HB LEU 75 -1.358 -6.159 -21.787 845 2HB LEU 75 1HB LEU 75 -0.705 -5.280 -20.409 846 HG LEU 75 HG LEU 75 1.336 -7.058 -21.372 847 1HD1 LEU 75 1HD1 LEU 75 0.743 -7.168 -23.573 848 2HD1 LEU 75 2HD1 LEU 75 1.439 -5.550 -23.631 849 3HD1 LEU 75 3HD1 LEU 75 -0.304 -5.755 -23.469 850 1HD2 LEU 75 1HD2 LEU 75 1.243 -4.620 -20.250 851 2HD2 LEU 75 2HD2 LEU 75 1.415 -4.125 -21.934 852 3HD2 LEU 75 3HD2 LEU 75 2.635 -5.159 -21.188 853 H GLU 76 H GLU 76 0.736 -9.139 -19.074 854 HA GLU 76 HA GLU 76 1.353 -7.470 -16.686 855 1HB GLU 76 2HB GLU 76 2.053 -10.384 -17.157 856 2HB GLU 76 1HB GLU 76 2.065 -9.516 -15.623 857 1HG GLU 76 2HG GLU 76 -0.317 -9.365 -15.576 858 2HG GLU 76 1HG GLU 76 -0.453 -9.844 -17.268 859 H LEU 77 H LEU 77 3.609 -7.194 -16.069 860 HA LEU 77 HA LEU 77 5.657 -8.028 -18.021 861 1HB LEU 77 2HB LEU 77 6.526 -5.662 -18.196 862 2HB LEU 77 1HB LEU 77 4.994 -5.941 -19.020 863 HG LEU 77 HG LEU 77 4.939 -5.004 -16.174 864 1HD1 LEU 77 1HD1 LEU 77 6.401 -3.349 -16.925 865 2HD1 LEU 77 2HD1 LEU 77 4.834 -2.635 -17.307 866 3HD1 LEU 77 3HD1 LEU 77 5.782 -3.412 -18.575 867 1HD2 LEU 77 1HD2 LEU 77 2.790 -5.426 -17.025 868 2HD2 LEU 77 2HD2 LEU 77 3.214 -4.851 -18.636 869 3HD2 LEU 77 3HD2 LEU 77 2.977 -3.698 -17.323 870 H ASN 78 H ASN 78 7.449 -8.610 -16.916 871 HA ASN 78 HA ASN 78 7.635 -7.952 -14.047 872 1HB ASN 78 2HB ASN 78 9.542 -9.610 -15.700 873 2HB ASN 78 1HB ASN 78 9.315 -9.646 -13.964 874 1HD2 ASN 78 1HD2 ASN 78 6.319 -9.583 -14.163 875 2HD2 ASN 78 2HD2 ASN 78 5.865 -11.125 -14.704 876 H VAL 79 H VAL 79 9.317 -6.703 -13.187 877 HA VAL 79 HA VAL 79 11.125 -5.418 -15.194 878 HB VAL 79 HB VAL 79 10.036 -4.116 -12.686 879 1HG1 VAL 79 1HG1 VAL 79 11.051 -2.138 -13.507 880 2HG1 VAL 79 2HG1 VAL 79 11.278 -2.825 -15.115 881 3HG1 VAL 79 3HG1 VAL 79 12.263 -3.393 -13.766 882 1HG2 VAL 79 1HG2 VAL 79 9.195 -3.600 -15.553 883 2HG2 VAL 79 2HG2 VAL 79 8.460 -2.956 -14.085 884 3HG2 VAL 79 3HG2 VAL 79 8.299 -4.668 -14.474 885 H THR 80 H THR 80 12.793 -6.937 -14.715 886 HA THR 80 HA THR 80 13.723 -7.301 -11.971 887 HB THR 80 HB THR 80 15.113 -8.038 -14.562 888 HG1 THR 80 HG1 THR 80 14.025 -9.926 -14.438 889 1HG2 THR 80 1HG2 THR 80 16.394 -8.001 -12.334 890 2HG2 THR 80 2HG2 THR 80 16.427 -9.512 -13.244 891 3HG2 THR 80 3HG2 THR 80 15.358 -9.344 -11.851 892 H LEU 81 H LEU 81 14.412 -5.311 -11.150 893 HA LEU 81 HA LEU 81 16.279 -3.661 -12.718 894 1HB LEU 81 2HB LEU 81 15.153 -3.298 -9.924 895 2HB LEU 81 1HB LEU 81 16.061 -2.096 -10.832 896 HG LEU 81 HG LEU 81 13.696 -3.273 -12.193 897 1HD1 LEU 81 1HD1 LEU 81 12.392 -2.887 -10.356 898 2HD1 LEU 81 2HD1 LEU 81 12.499 -1.209 -10.888 899 3HD1 LEU 81 3HD1 LEU 81 13.572 -1.802 -9.619 900 1HD2 LEU 81 1HD2 LEU 81 13.491 -0.702 -12.663 901 2HD2 LEU 81 2HD2 LEU 81 14.783 -1.614 -13.444 902 3HD2 LEU 81 3HD2 LEU 81 15.132 -0.632 -12.021 903 HA PRO 82 HA PRO 82 19.757 -5.548 -10.578 904 1HB PRO 82 2HB PRO 82 21.705 -3.935 -11.599 905 2HB PRO 82 1HB PRO 82 20.918 -5.214 -12.535 906 1HG PRO 82 2HG PRO 82 20.646 -2.297 -12.766 907 2HG PRO 82 1HG PRO 82 20.295 -3.559 -13.954 908 1HD PRO 82 2HD PRO 82 18.422 -2.132 -12.316 909 2HD PRO 82 1HD PRO 82 18.084 -3.449 -13.459 910 H GLU 83 H GLU 83 21.855 -4.544 -9.393 911 HA GLU 83 HA GLU 83 20.930 -3.105 -7.117 912 1HB GLU 83 2HB GLU 83 23.481 -4.154 -8.116 913 2HB GLU 83 1HB GLU 83 23.676 -2.676 -7.178 914 1HG GLU 83 2HG GLU 83 22.419 -3.654 -5.318 915 2HG GLU 83 1HG GLU 83 22.137 -5.119 -6.258 916 H ALA 84 H ALA 84 22.674 -1.051 -6.604 917 HA ALA 84 HA ALA 84 23.072 0.805 -8.729 918 1HB ALA 84 1HB ALA 84 20.752 1.675 -7.036 919 2HB ALA 84 2HB ALA 84 20.457 0.636 -8.429 920 3HB ALA 84 3HB ALA 84 21.216 2.212 -8.650 921 H GLU 85 H GLU 85 24.590 2.187 -7.959 922 HA GLU 85 HA GLU 85 25.430 2.171 -5.235 923 1HB GLU 85 2HB GLU 85 26.637 2.948 -7.473 924 2HB GLU 85 1HB GLU 85 26.027 4.526 -6.978 925 1HG GLU 85 2HG GLU 85 27.322 4.582 -5.057 926 2HG GLU 85 1HG GLU 85 27.392 2.824 -4.930 927 H GLU 86 H GLU 86 25.028 3.628 -3.553 928 HA GLU 86 HA GLU 86 22.555 5.167 -3.761 929 1HB GLU 86 2HB GLU 86 23.248 3.750 -1.747 930 2HB GLU 86 1HB GLU 86 24.409 5.026 -1.378 931 1HG GLU 86 2HG GLU 86 22.585 5.753 -0.142 932 2HG GLU 86 1HG GLU 86 22.288 6.589 -1.667 933 H LEU 87 H LEU 87 24.101 6.415 -5.492 934 HA LEU 87 HA LEU 87 25.125 8.820 -4.037 935 1HB LEU 87 2HB LEU 87 26.324 7.213 -6.244 936 2HB LEU 87 1HB LEU 87 26.513 8.964 -6.338 937 HG LEU 87 HG LEU 87 27.077 7.560 -3.744 938 1HD1 LEU 87 1HD1 LEU 87 29.473 7.381 -4.506 939 2HD1 LEU 87 2HD1 LEU 87 28.922 7.733 -6.144 940 3HD1 LEU 87 3HD1 LEU 87 28.377 6.269 -5.326 941 1HD2 LEU 87 1HD2 LEU 87 28.834 9.460 -3.763 942 2HD2 LEU 87 2HD2 LEU 87 27.141 9.926 -3.588 943 3HD2 LEU 87 3HD2 LEU 87 27.944 10.090 -5.150 944 H LYS 88 HN LYS 88 22.450 8.575 -4.837 945 HA LYS 88 HA LYS 88 22.340 10.595 -7.035 946 1HB LYS 88 2HB LYS 88 21.569 8.053 -7.481 947 2HB LYS 88 1HB LYS 88 20.075 8.677 -6.780 948 1HG LYS 88 2HG LYS 88 19.723 10.174 -8.509 949 2HG LYS 88 1HG LYS 88 21.443 10.319 -8.873 950 1HD LYS 88 2HD LYS 88 21.118 7.719 -9.468 951 2HD LYS 88 1HD LYS 88 19.478 8.279 -9.794 952 1HE LYS 88 2HE LYS 88 20.250 9.892 -11.392 953 2HE LYS 88 1HE LYS 88 21.930 9.653 -10.914 954 1HZ LYS 88 1HZ LYS 88 20.231 7.516 -12.073 955 2HZ LYS 88 2HZ LYS 88 21.906 7.464 -11.796 956 3HZ LYS 88 3HZ LYS 88 21.271 8.490 -12.993 Start of MODEL 13 1 1H ARG 31 1H ARG 31 4.825 0.720 3.507 2 2H ARG 31 2H ARG 31 3.888 2.134 3.389 3 3H ARG 31 3H ARG 31 5.562 2.240 3.656 4 HA ARG 31 HA ARG 31 4.351 1.067 1.215 5 1HB ARG 31 2HB ARG 31 3.994 3.609 1.697 6 2HB ARG 31 1HB ARG 31 5.720 3.745 1.360 7 1HG ARG 31 2HG ARG 31 5.476 3.075 -0.863 8 2HG ARG 31 1HG ARG 31 3.954 2.241 -0.549 9 1HD ARG 31 2HD ARG 31 3.209 4.740 0.119 10 2HD ARG 31 1HD ARG 31 4.461 5.129 -1.062 11 HE ARG 31 HE ARG 31 2.624 3.093 -2.030 12 1HH1 ARG 31 1HH2 ARG 31 3.114 6.533 -1.626 13 2HH1 ARG 31 2HH2 ARG 31 2.045 6.939 -2.922 14 1HH2 ARG 31 1HH1 ARG 31 1.250 3.663 -3.700 15 2HH2 ARG 31 2HH1 ARG 31 1.000 5.334 -4.085 16 H SER 32 H SER 32 5.944 -0.617 1.303 17 HA SER 32 HA SER 32 8.725 -0.210 1.741 18 1HB SER 32 2HB SER 32 7.669 -2.297 -0.152 19 2HB SER 32 1HB SER 32 9.035 -2.403 0.955 20 HG SER 32 HG SER 32 7.696 -3.091 2.409 21 H ASP 33 H ASP 33 6.733 0.504 -1.025 22 HA ASP 33 HA ASP 33 9.015 0.639 -2.850 23 1HB ASP 33 2HB ASP 33 6.188 1.589 -3.336 24 2HB ASP 33 1HB ASP 33 7.421 1.246 -4.550 25 H ALA 34 H ALA 34 8.405 2.551 -0.378 26 HA ALA 34 HA ALA 34 8.448 5.135 -1.767 27 1HB ALA 34 1HB ALA 34 8.692 5.892 0.748 28 2HB ALA 34 2HB ALA 34 8.164 4.243 1.080 29 3HB ALA 34 3HB ALA 34 7.133 5.326 0.146 30 H GLU 35 H GLU 35 10.662 2.820 -0.514 31 HA GLU 35 HA GLU 35 12.795 4.435 0.373 32 1HB GLU 35 2HB GLU 35 13.071 1.823 -1.136 33 2HB GLU 35 1HB GLU 35 14.224 2.525 -0.012 34 1HG GLU 35 2HG GLU 35 11.550 2.249 1.161 35 2HG GLU 35 1HG GLU 35 12.224 0.706 0.640 36 HA PRO 36 HA PRO 36 14.362 4.765 -4.135 37 1HB PRO 36 2HB PRO 36 12.766 3.890 -6.171 38 2HB PRO 36 1HB PRO 36 13.910 2.847 -5.315 39 1HG PRO 36 2HG PRO 36 10.979 2.873 -5.219 40 2HG PRO 36 1HG PRO 36 12.110 1.590 -4.767 41 1HD PRO 36 2HD PRO 36 10.721 3.403 -3.032 42 2HD PRO 36 1HD PRO 36 11.862 2.131 -2.579 43 H HIS 37 H HIS 37 10.803 5.099 -4.120 44 HA HIS 37 HA HIS 37 9.451 6.972 -4.458 45 1HB HIS 37 2HB HIS 37 11.465 8.141 -3.261 46 2HB HIS 37 1HB HIS 37 11.856 8.728 -4.878 47 HD1 HIS 37 HD1 HIS 37 8.560 8.382 -2.964 48 HD2 HIS 37 HD2 HIS 37 10.696 11.208 -5.163 49 HE1 HIS 37 HE1 HIS 37 7.121 10.464 -3.042 50 H TYR 38 H TYR 38 11.363 5.565 -6.715 51 HA TYR 38 HA TYR 38 10.234 7.269 -8.889 52 1HB TYR 38 2HB TYR 38 12.194 6.415 -10.281 53 2HB TYR 38 1HB TYR 38 12.603 7.575 -9.020 54 HD1 TYR 38 HD1 TYR 38 13.968 6.960 -7.146 55 HD2 TYR 38 HD2 TYR 38 12.628 3.977 -9.932 56 HE1 TYR 38 HE1 TYR 38 15.541 5.323 -6.150 57 HE2 TYR 38 HE2 TYR 38 14.202 2.340 -8.935 58 HH TYR 38 HH TYR 38 16.717 2.968 -7.305 59 H LEU 39 H LEU 39 11.096 4.018 -7.796 60 HA LEU 39 HA LEU 39 10.298 2.448 -9.959 61 1HB LEU 39 2HB LEU 39 10.922 2.050 -7.247 62 2HB LEU 39 1HB LEU 39 9.332 1.321 -7.452 63 HG LEU 39 HG LEU 39 11.041 -0.356 -7.927 64 1HD1 LEU 39 1HD1 LEU 39 10.040 -1.188 -9.809 65 2HD1 LEU 39 2HD1 LEU 39 10.301 0.296 -10.727 66 3HD1 LEU 39 3HD1 LEU 39 8.957 0.187 -9.591 67 1HD2 LEU 39 1HD2 LEU 39 12.208 1.903 -9.472 68 2HD2 LEU 39 2HD2 LEU 39 12.412 0.292 -10.157 69 3HD2 LEU 39 3HD2 LEU 39 13.014 0.644 -8.537 70 HA PRO 40 HA PRO 40 5.716 2.607 -8.453 71 1HB PRO 40 2HB PRO 40 5.052 4.451 -6.545 72 2HB PRO 40 1HB PRO 40 5.544 2.791 -6.178 73 1HG PRO 40 2HG PRO 40 7.072 5.317 -5.901 74 2HG PRO 40 1HG PRO 40 7.165 3.826 -4.957 75 1HD PRO 40 2HD PRO 40 8.973 4.599 -6.935 76 2HD PRO 40 1HD PRO 40 8.792 2.948 -6.303 77 H GLN 41 H GLN 41 7.656 5.426 -8.957 78 HA GLN 41 HA GLN 41 5.494 7.171 -9.848 79 1HB GLN 41 2HB GLN 41 7.606 8.108 -8.977 80 2HB GLN 41 1HB GLN 41 8.503 7.310 -10.266 81 1HG GLN 41 2HG GLN 41 8.138 9.649 -10.863 82 2HG GLN 41 1HG GLN 41 7.196 8.618 -11.939 83 1HE2 GLN 41 1HE2 GLN 41 5.346 9.892 -12.345 84 2HE2 GLN 41 2HE2 GLN 41 4.341 10.521 -11.130 85 H LEU 42 H LEU 42 7.719 4.842 -11.264 86 HA LEU 42 HA LEU 42 7.110 5.528 -14.001 87 1HB LEU 42 2HB LEU 42 8.384 3.061 -12.793 88 2HB LEU 42 1HB LEU 42 8.295 3.392 -14.505 89 HG LEU 42 HG LEU 42 10.195 4.584 -14.413 90 1HD1 LEU 42 1HD1 LEU 42 9.227 6.221 -12.061 91 2HD1 LEU 42 2HD1 LEU 42 8.768 6.568 -13.727 92 3HD1 LEU 42 3HD1 LEU 42 10.459 6.652 -13.242 93 1HD2 LEU 42 1HD2 LEU 42 10.014 3.616 -11.591 94 2HD2 LEU 42 2HD2 LEU 42 11.309 4.735 -12.020 95 3HD2 LEU 42 3HD2 LEU 42 11.168 3.186 -12.853 96 H ARG 43 H ARG 43 6.089 2.947 -11.747 97 HA ARG 43 HA ARG 43 4.459 1.534 -13.610 98 1HB ARG 43 2HB ARG 43 3.431 0.489 -11.684 99 2HB ARG 43 1HB ARG 43 5.140 0.678 -11.356 100 1HG ARG 43 2HG ARG 43 4.634 2.756 -10.084 101 2HG ARG 43 1HG ARG 43 2.914 2.453 -10.330 102 1HD ARG 43 2HD ARG 43 3.297 0.166 -9.269 103 2HD ARG 43 1HD ARG 43 4.888 0.757 -8.788 104 HE ARG 43 HE ARG 43 3.842 2.053 -7.127 105 1HH1 ARG 43 1HH2 ARG 43 1.496 1.059 -9.523 106 2HH1 ARG 43 2HH2 ARG 43 0.160 1.687 -8.622 107 1HH2 ARG 43 2HH1 ARG 43 2.085 2.852 -5.996 108 2HH2 ARG 43 1HH1 ARG 43 0.488 2.691 -6.646 109 H LYS 44 H LYS 44 3.668 4.210 -11.370 110 HA LYS 44 HA LYS 44 0.919 4.311 -12.110 111 1HB LYS 44 2HB LYS 44 0.863 6.462 -11.003 112 2HB LYS 44 1HB LYS 44 1.891 5.398 -10.059 113 1HG LYS 44 2HG LYS 44 3.887 6.406 -11.036 114 2HG LYS 44 1HG LYS 44 2.900 7.411 -12.091 115 1HD LYS 44 2HD LYS 44 3.616 8.731 -10.165 116 2HD LYS 44 1HD LYS 44 1.876 8.462 -10.075 117 1HE LYS 44 2HE LYS 44 2.228 6.604 -8.502 118 2HE LYS 44 1HE LYS 44 3.973 6.835 -8.608 119 1HZ LYS 44 1HZ LYS 44 3.039 7.921 -6.657 120 2HZ LYS 44 2HZ LYS 44 2.025 8.859 -7.646 121 3HZ LYS 44 3HZ LYS 44 3.711 9.057 -7.723 122 H ASP 45 H ASP 45 3.867 5.603 -13.517 123 HA ASP 45 HA ASP 45 2.644 7.464 -15.310 124 1HB ASP 45 2HB ASP 45 5.265 5.977 -15.348 125 2HB ASP 45 1HB ASP 45 4.795 7.053 -16.653 126 H ILE 46 H ILE 46 3.623 4.027 -15.701 127 HA ILE 46 HA ILE 46 2.767 3.782 -18.406 128 HB ILE 46 HB ILE 46 4.164 2.100 -17.134 129 1HG1 ILE 46 2HG1 ILE 46 1.722 0.984 -18.544 130 2HG1 ILE 46 1HG1 ILE 46 3.117 1.685 -19.363 131 1HG2 ILE 46 1HG2 ILE 46 2.416 0.246 -16.192 132 2HG2 ILE 46 2HG2 ILE 46 1.599 1.721 -15.700 133 3HG2 ILE 46 3HG2 ILE 46 3.247 1.415 -15.175 134 1HD1 ILE 46 1HD1 ILE 46 4.530 -0.066 -18.746 135 2HD1 ILE 46 2HD1 ILE 46 3.006 -0.915 -19.000 136 3HD1 ILE 46 3HD1 ILE 46 3.534 -0.521 -17.364 137 H LEU 47 H LEU 47 0.954 3.785 -15.403 138 HA LEU 47 HA LEU 47 -1.498 2.714 -16.448 139 1HB LEU 47 2HB LEU 47 -0.792 4.452 -14.089 140 2HB LEU 47 1HB LEU 47 -2.474 4.136 -14.494 141 HG LEU 47 HG LEU 47 -0.434 1.935 -14.127 142 1HD1 LEU 47 1HD1 LEU 47 -2.136 3.412 -12.152 143 2HD1 LEU 47 2HD1 LEU 47 -0.501 2.779 -11.964 144 3HD1 LEU 47 3HD1 LEU 47 -1.882 1.682 -11.926 145 1HD2 LEU 47 1HD2 LEU 47 -2.723 0.747 -13.638 146 2HD2 LEU 47 2HD2 LEU 47 -2.253 1.055 -15.309 147 3HD2 LEU 47 3HD2 LEU 47 -3.412 2.115 -14.509 148 H GLU 48 H GLU 48 -0.321 6.041 -15.960 149 HA GLU 48 HA GLU 48 -2.564 7.316 -17.228 150 1HB GLU 48 2HB GLU 48 0.249 8.424 -17.145 151 2HB GLU 48 1HB GLU 48 -1.263 9.324 -17.218 152 1HG GLU 48 2HG GLU 48 -0.357 7.615 -14.891 153 2HG GLU 48 1HG GLU 48 -0.281 9.365 -14.964 154 H VAL 49 H VAL 49 0.561 6.103 -18.307 155 HA VAL 49 HA VAL 49 0.528 7.146 -20.933 156 HB VAL 49 HB VAL 49 1.677 4.514 -19.942 157 1HG1 VAL 49 1HG1 VAL 49 2.107 4.113 -22.121 158 2HG1 VAL 49 2HG1 VAL 49 3.231 5.467 -22.064 159 3HG1 VAL 49 3HG1 VAL 49 1.571 5.721 -22.601 160 1HG2 VAL 49 1HG2 VAL 49 3.463 5.695 -19.162 161 2HG2 VAL 49 2HG2 VAL 49 2.357 7.067 -19.174 162 3HG2 VAL 49 3HG2 VAL 49 3.448 6.804 -20.533 163 H ILE 50 H ILE 50 -0.544 3.885 -19.831 164 HA ILE 50 HA ILE 50 -1.755 3.087 -22.277 165 HB ILE 50 HB ILE 50 -2.689 2.402 -19.473 166 1HG1 ILE 50 2HG1 ILE 50 -0.955 0.583 -21.070 167 2HG1 ILE 50 1HG1 ILE 50 -0.178 2.004 -20.373 168 1HG2 ILE 50 1HG2 ILE 50 -4.207 1.847 -21.439 169 2HG2 ILE 50 2HG2 ILE 50 -3.693 0.465 -20.470 170 3HG2 ILE 50 3HG2 ILE 50 -2.921 0.789 -22.022 171 1HD1 ILE 50 1HD1 ILE 50 -1.818 -0.042 -18.849 172 2HD1 ILE 50 2HD1 ILE 50 -1.074 1.396 -18.147 173 3HD1 ILE 50 3HD1 ILE 50 -0.061 0.111 -18.806 174 H CYS 51 H CYS 51 -2.782 5.388 -19.872 175 HA CYS 51 HA CYS 51 -5.552 5.483 -20.702 176 1HB CYS 51 2HB CYS 51 -4.496 6.273 -18.453 177 2HB CYS 51 1HB CYS 51 -4.099 7.744 -19.341 178 HG CYS 51 HG CYS 51 -6.486 8.424 -19.290 179 H LYS 52 H LYS 52 -2.662 7.468 -21.335 180 HA LYS 52 HA LYS 52 -3.855 9.440 -22.979 181 1HB LYS 52 2HB LYS 52 -1.094 8.234 -23.320 182 2HB LYS 52 1HB LYS 52 -1.630 9.792 -23.941 183 1HG LYS 52 2HG LYS 52 -1.667 10.771 -21.827 184 2HG LYS 52 1HG LYS 52 -1.842 9.224 -20.999 185 1HD LYS 52 2HD LYS 52 0.398 9.506 -20.601 186 2HD LYS 52 1HD LYS 52 0.546 8.823 -22.221 187 1HE LYS 52 2HE LYS 52 1.809 10.750 -22.475 188 2HE LYS 52 1HE LYS 52 0.223 11.352 -22.954 189 1HZ LYS 52 1HZ LYS 52 1.396 11.552 -20.233 190 2HZ LYS 52 2HZ LYS 52 -0.128 12.140 -20.702 191 3HZ LYS 52 3HZ LYS 52 1.287 12.820 -21.354 192 H TYR 53 H TYR 53 -2.875 6.149 -23.722 193 HA TYR 53 HA TYR 53 -3.581 6.545 -26.577 194 1HB TYR 53 2HB TYR 53 -2.213 4.244 -25.150 195 2HB TYR 53 1HB TYR 53 -2.507 4.335 -26.875 196 HD1 TYR 53 HD1 TYR 53 -0.737 5.056 -28.211 197 HD2 TYR 53 HD2 TYR 53 -0.992 6.462 -24.171 198 HE1 TYR 53 HE1 TYR 53 1.413 6.265 -28.483 199 HE2 TYR 53 HE2 TYR 53 1.141 7.668 -24.437 200 HH TYR 53 HH TYR 53 2.514 8.587 -26.233 201 H VAL 54 H VAL 54 -4.821 5.191 -23.632 202 HA VAL 54 HA VAL 54 -7.155 4.126 -25.096 203 HB VAL 54 HB VAL 54 -5.896 2.273 -23.077 204 1HG1 VAL 54 1HG1 VAL 54 -8.260 2.148 -24.257 205 2HG1 VAL 54 2HG1 VAL 54 -7.306 0.685 -24.015 206 3HG1 VAL 54 3HG1 VAL 54 -7.320 1.477 -25.591 207 1HG2 VAL 54 1HG2 VAL 54 -4.120 2.771 -24.777 208 2HG2 VAL 54 2HG2 VAL 54 -5.235 2.258 -26.043 209 3HG2 VAL 54 3HG2 VAL 54 -4.675 1.099 -24.838 210 H GLN 55 H GLN 55 -7.726 2.658 -22.313 211 HA GLN 55 HA GLN 55 -7.871 4.806 -20.398 212 1HB GLN 55 2HB GLN 55 -9.983 4.617 -22.369 213 2HB GLN 55 1HB GLN 55 -10.630 4.321 -20.756 214 1HG GLN 55 2HG GLN 55 -9.570 6.404 -19.952 215 2HG GLN 55 1HG GLN 55 -8.946 6.707 -21.573 216 1HE2 GLN 55 1HE2 GLN 55 -10.877 6.508 -23.328 217 2HE2 GLN 55 2HE2 GLN 55 -12.291 7.347 -22.905 218 H ILE 56 H ILE 56 -7.422 3.550 -18.692 219 HA ILE 56 HA ILE 56 -9.243 1.280 -18.072 220 HB ILE 56 HB ILE 56 -7.112 0.086 -17.181 221 1HG1 ILE 56 2HG1 ILE 56 -5.625 1.314 -19.427 222 2HG1 ILE 56 1HG1 ILE 56 -5.868 2.375 -18.040 223 1HG2 ILE 56 1HG2 ILE 56 -8.618 -0.231 -19.400 224 2HG2 ILE 56 2HG2 ILE 56 -7.232 -1.255 -19.024 225 3HG2 ILE 56 3HG2 ILE 56 -7.054 0.093 -20.148 226 1HD1 ILE 56 1HD1 ILE 56 -3.803 1.167 -17.685 227 2HD1 ILE 56 2HD1 ILE 56 -4.587 -0.372 -18.038 228 3HD1 ILE 56 3HD1 ILE 56 -5.003 0.513 -16.570 229 H ASP 57 H ASP 57 -8.925 0.616 -15.718 230 HA ASP 57 HA ASP 57 -8.447 3.072 -14.096 231 1HB ASP 57 2HB ASP 57 -10.192 0.654 -13.783 232 2HB ASP 57 1HB ASP 57 -9.646 1.492 -12.331 233 HA PRO 58 HA PRO 58 -4.957 1.195 -12.123 234 1HB PRO 58 2HB PRO 58 -5.211 2.029 -9.529 235 2HB PRO 58 1HB PRO 58 -4.713 3.097 -10.851 236 1HG PRO 58 2HG PRO 58 -7.333 2.908 -9.462 237 2HG PRO 58 1HG PRO 58 -6.534 4.314 -10.182 238 1HD PRO 58 2HD PRO 58 -8.626 2.889 -11.354 239 2HD PRO 58 1HD PRO 58 -7.506 3.958 -12.227 240 H GLU 59 H GLU 59 -8.106 0.640 -10.668 241 HA GLU 59 HA GLU 59 -7.333 -1.570 -8.983 242 1HB GLU 59 2HB GLU 59 -10.006 -0.899 -10.259 243 2HB GLU 59 1HB GLU 59 -9.764 -2.108 -8.998 244 1HG GLU 59 2HG GLU 59 -8.736 0.661 -8.518 245 2HG GLU 59 1HG GLU 59 -10.472 0.379 -8.382 246 H MET 60 H MET 60 -7.598 -1.218 -12.403 247 HA MET 60 HA MET 60 -8.127 -4.077 -12.887 248 1HB MET 60 2HB MET 60 -7.745 -1.637 -14.622 249 2HB MET 60 1HB MET 60 -7.680 -3.252 -15.320 250 1HG MET 60 2HG MET 60 -9.974 -2.870 -13.519 251 2HG MET 60 1HG MET 60 -9.990 -1.777 -14.900 252 1HE MET 60 1HE MET 60 -9.202 -2.485 -17.100 253 2HE MET 60 2HE MET 60 -10.932 -2.667 -17.377 254 3HE MET 60 3HE MET 60 -9.820 -3.908 -17.950 255 H VAL 61 H VAL 61 -5.443 -1.848 -12.665 256 HA VAL 61 HA VAL 61 -3.586 -3.811 -13.875 257 HB VAL 61 HB VAL 61 -3.053 -1.027 -12.797 258 1HG1 VAL 61 1HG1 VAL 61 -1.164 -2.837 -13.102 259 2HG1 VAL 61 2HG1 VAL 61 -0.908 -1.197 -13.700 260 3HG1 VAL 61 3HG1 VAL 61 -1.371 -2.481 -14.817 261 1HG2 VAL 61 1HG2 VAL 61 -2.826 -0.842 -15.504 262 2HG2 VAL 61 2HG2 VAL 61 -4.307 -0.463 -14.626 263 3HG2 VAL 61 3HG2 VAL 61 -4.109 -2.045 -15.378 264 H THR 62 H THR 62 -2.325 -5.119 -12.610 265 HA THR 62 HA THR 62 -2.434 -4.727 -9.682 266 HB THR 62 HB THR 62 -1.278 -7.149 -11.047 267 HG1 THR 62 HG1 THR 62 -4.009 -6.618 -10.479 268 1HG2 THR 62 1HG2 THR 62 -2.350 -8.179 -8.950 269 2HG2 THR 62 2HG2 THR 62 -2.552 -6.522 -8.383 270 3HG2 THR 62 3HG2 THR 62 -0.937 -7.153 -8.701 271 H VAL 63 H VAL 63 -0.413 -5.046 -8.447 272 HA VAL 63 HA VAL 63 2.091 -4.645 -9.996 273 HB VAL 63 HB VAL 63 1.275 -2.891 -7.664 274 1HG1 VAL 63 1HG1 VAL 63 3.329 -1.827 -7.905 275 2HG1 VAL 63 2HG1 VAL 63 3.494 -2.306 -9.594 276 3HG1 VAL 63 3HG1 VAL 63 3.777 -3.484 -8.312 277 1HG2 VAL 63 1HG2 VAL 63 -0.074 -2.406 -9.666 278 2HG2 VAL 63 2HG2 VAL 63 1.397 -2.282 -10.632 279 3HG2 VAL 63 3HG2 VAL 63 1.075 -1.104 -9.360 280 H GLN 64 H GLN 64 3.319 -6.332 -9.292 281 HA GLN 64 HA GLN 64 3.360 -6.858 -6.355 282 1HB GLN 64 2HB GLN 64 3.779 -9.274 -6.947 283 2HB GLN 64 1HB GLN 64 2.173 -8.697 -7.386 284 1HG GLN 64 2HG GLN 64 4.144 -8.263 -9.512 285 2HG GLN 64 1HG GLN 64 3.967 -9.962 -9.098 286 1HE2 GLN 64 1HE2 GLN 64 2.744 -10.553 -10.989 287 2HE2 GLN 64 2HE2 GLN 64 1.176 -9.970 -11.280 288 H LEU 65 H LEU 65 5.368 -6.636 -5.491 289 HA LEU 65 HA LEU 65 7.670 -6.509 -7.349 290 1HB LEU 65 2HB LEU 65 8.829 -5.468 -5.398 291 2HB LEU 65 1HB LEU 65 7.433 -4.557 -5.951 292 HG LEU 65 HG LEU 65 6.639 -6.536 -3.973 293 1HD1 LEU 65 1HD1 LEU 65 8.697 -6.427 -2.872 294 2HD1 LEU 65 2HD1 LEU 65 7.796 -5.131 -2.085 295 3HD1 LEU 65 3HD1 LEU 65 8.972 -4.749 -3.342 296 1HD2 LEU 65 1HD2 LEU 65 5.691 -4.183 -4.836 297 2HD2 LEU 65 2HD2 LEU 65 6.608 -3.596 -3.449 298 3HD2 LEU 65 3HD2 LEU 65 5.330 -4.791 -3.221 299 H GLU 66 H GLU 66 9.083 -8.149 -7.417 300 HA GLU 66 HA GLU 66 9.111 -10.086 -5.140 301 1HB GLU 66 2HB GLU 66 9.523 -10.489 -8.108 302 2HB GLU 66 1HB GLU 66 10.005 -11.701 -6.930 303 1HG GLU 66 2HG GLU 66 7.216 -10.597 -7.364 304 2HG GLU 66 1HG GLU 66 7.777 -12.204 -7.812 305 H GLN 67 H GLN 67 11.359 -11.302 -5.166 306 HA GLN 67 HA GLN 67 13.525 -9.324 -5.730 307 1HB GLN 67 2HB GLN 67 13.010 -10.868 -3.181 308 2HB GLN 67 1HB GLN 67 14.593 -10.190 -3.563 309 1HG GLN 67 2HG GLN 67 13.891 -8.027 -3.270 310 2HG GLN 67 1HG GLN 67 12.263 -8.365 -3.863 311 1HE2 GLN 67 1HE2 GLN 67 11.160 -7.452 -2.020 312 2HE2 GLN 67 2HE2 GLN 67 11.243 -8.154 -0.476 313 H LYS 68 H LYS 68 15.746 -10.496 -5.482 314 HA LYS 68 HA LYS 68 15.532 -13.303 -6.491 315 1HB LYS 68 2HB LYS 68 17.673 -11.521 -7.598 316 2HB LYS 68 1HB LYS 68 16.893 -12.916 -8.334 317 1HG LYS 68 2HG LYS 68 14.759 -11.286 -8.177 318 2HG LYS 68 1HG LYS 68 16.010 -10.062 -8.284 319 1HD LYS 68 2HD LYS 68 15.397 -12.260 -10.271 320 2HD LYS 68 1HD LYS 68 15.311 -10.522 -10.528 321 1HE LYS 68 2HE LYS 68 17.429 -10.548 -11.274 322 2HE LYS 68 1HE LYS 68 17.970 -11.112 -9.695 323 1HZ LYS 68 1HZ LYS 68 17.117 -12.761 -12.004 324 2HZ LYS 68 2HZ LYS 68 17.352 -13.392 -10.444 325 3HZ LYS 68 3HZ LYS 68 18.655 -12.701 -11.288 326 H ASP 69 H ASP 69 17.613 -14.500 -6.224 327 HA ASP 69 HA ASP 69 18.786 -13.897 -3.630 328 1HB ASP 69 2HB ASP 69 20.093 -16.013 -4.055 329 2HB ASP 69 1HB ASP 69 18.343 -16.215 -4.124 330 H GLY 70 H GLY 70 19.535 -11.749 -4.940 331 1HA GLY 70 2HA GLY 70 22.405 -11.857 -5.006 332 2HA GLY 70 1HA GLY 70 21.775 -11.794 -6.651 333 H ASP 71 H ASP 71 20.221 -10.237 -3.901 334 HA ASP 71 HA ASP 71 19.745 -7.989 -3.467 335 1HB ASP 71 2HB ASP 71 22.470 -7.789 -4.756 336 2HB ASP 71 1HB ASP 71 21.586 -6.349 -4.257 337 H ILE 72 H ILE 72 18.517 -9.154 -5.677 338 HA ILE 72 HA ILE 72 18.326 -6.836 -7.550 339 HB ILE 72 HB ILE 72 17.874 -9.701 -8.355 340 1HG1 ILE 72 2HG1 ILE 72 20.422 -8.066 -8.450 341 2HG1 ILE 72 1HG1 ILE 72 20.173 -9.602 -7.637 342 1HG2 ILE 72 1HG2 ILE 72 18.531 -7.218 -9.967 343 2HG2 ILE 72 2HG2 ILE 72 16.892 -7.814 -9.706 344 3HG2 ILE 72 3HG2 ILE 72 18.053 -8.790 -10.605 345 1HD1 ILE 72 1HD1 ILE 72 19.459 -9.975 -10.373 346 2HD1 ILE 72 2HD1 ILE 72 20.808 -10.693 -9.496 347 3HD1 ILE 72 3HD1 ILE 72 21.022 -9.157 -10.335 348 H SER 73 H SER 73 16.212 -6.271 -8.174 349 HA SER 73 HA SER 73 14.056 -7.614 -6.600 350 1HB SER 73 2HB SER 73 14.429 -4.773 -7.540 351 2HB SER 73 1HB SER 73 12.837 -5.380 -7.094 352 HG SER 73 HG SER 73 15.167 -5.121 -5.519 353 H ILE 74 H ILE 74 11.850 -7.396 -7.706 354 HA ILE 74 HA ILE 74 11.972 -7.485 -10.665 355 HB ILE 74 HB ILE 74 10.973 -9.762 -8.939 356 1HG1 ILE 74 2HG1 ILE 74 13.359 -9.514 -10.781 357 2HG1 ILE 74 1HG1 ILE 74 13.393 -9.739 -9.040 358 1HG2 ILE 74 1HG2 ILE 74 11.060 -9.521 -11.960 359 2HG2 ILE 74 2HG2 ILE 74 9.600 -9.374 -10.980 360 3HG2 ILE 74 3HG2 ILE 74 10.469 -10.907 -11.041 361 1HD1 ILE 74 1HD1 ILE 74 13.280 -11.973 -9.285 362 2HD1 ILE 74 2HD1 ILE 74 13.357 -11.759 -11.032 363 3HD1 ILE 74 3HD1 ILE 74 11.794 -11.828 -10.221 364 H LEU 75 H LEU 75 10.612 -5.574 -10.494 365 HA LEU 75 HA LEU 75 8.057 -5.785 -9.091 366 1HB LEU 75 2HB LEU 75 9.373 -3.645 -9.220 367 2HB LEU 75 1HB LEU 75 8.996 -3.587 -10.940 368 HG LEU 75 HG LEU 75 6.704 -4.009 -9.093 369 1HD1 LEU 75 1HD1 LEU 75 8.442 -2.084 -8.316 370 2HD1 LEU 75 2HD1 LEU 75 6.696 -1.934 -8.124 371 3HD1 LEU 75 3HD1 LEU 75 7.501 -1.175 -9.498 372 1HD2 LEU 75 1HD2 LEU 75 6.162 -3.866 -11.394 373 2HD2 LEU 75 2HD2 LEU 75 7.281 -2.529 -11.661 374 3HD2 LEU 75 3HD2 LEU 75 5.785 -2.261 -10.768 375 H GLU 76 H GLU 76 6.582 -7.092 -10.048 376 HA GLU 76 HA GLU 76 6.266 -6.977 -13.016 377 1HB GLU 76 2HB GLU 76 4.964 -8.968 -11.147 378 2HB GLU 76 1HB GLU 76 5.192 -9.105 -12.887 379 1HG GLU 76 2HG GLU 76 7.533 -9.457 -12.659 380 2HG GLU 76 1HG GLU 76 7.532 -8.918 -10.981 381 H LEU 77 H LEU 77 4.508 -5.870 -13.806 382 HA LEU 77 HA LEU 77 2.257 -5.373 -11.898 383 1HB LEU 77 2HB LEU 77 1.847 -3.257 -13.202 384 2HB LEU 77 1HB LEU 77 3.360 -3.268 -12.299 385 HG LEU 77 HG LEU 77 3.447 -4.280 -15.099 386 1HD1 LEU 77 1HD1 LEU 77 3.850 -1.787 -15.747 387 2HD1 LEU 77 2HD1 LEU 77 2.904 -1.430 -14.302 388 3HD1 LEU 77 3HD1 LEU 77 2.189 -2.366 -15.615 389 1HD2 LEU 77 1HD2 LEU 77 5.373 -4.050 -13.361 390 2HD2 LEU 77 2HD2 LEU 77 5.286 -2.326 -13.720 391 3HD2 LEU 77 3HD2 LEU 77 5.668 -3.476 -15.002 392 H ASN 78 H ASN 78 0.325 -6.121 -12.538 393 HA ASN 78 HA ASN 78 0.069 -7.355 -15.201 394 1HB ASN 78 2HB ASN 78 -1.917 -7.211 -12.926 395 2HB ASN 78 1HB ASN 78 -1.976 -8.293 -14.308 396 1HD2 ASN 78 1HD2 ASN 78 -1.152 -10.341 -13.896 397 2HD2 ASN 78 2HD2 ASN 78 0.046 -10.697 -12.755 398 H VAL 79 H VAL 79 -1.338 -6.572 -16.780 399 HA VAL 79 HA VAL 79 -2.769 -4.032 -16.115 400 HB VAL 79 HB VAL 79 -1.561 -4.702 -18.808 401 1HG1 VAL 79 1HG1 VAL 79 -2.859 -2.294 -17.539 402 2HG1 VAL 79 2HG1 VAL 79 -3.262 -3.083 -19.064 403 3HG1 VAL 79 3HG1 VAL 79 -1.786 -2.125 -18.928 404 1HG2 VAL 79 1HG2 VAL 79 -0.448 -2.894 -16.635 405 2HG2 VAL 79 2HG2 VAL 79 0.277 -3.204 -18.212 406 3HG2 VAL 79 3HG2 VAL 79 0.183 -4.496 -17.016 407 H THR 80 H THR 80 -4.756 -5.088 -15.784 408 HA THR 80 HA THR 80 -5.841 -6.899 -17.811 409 HB THR 80 HB THR 80 -7.235 -5.597 -15.453 410 HG1 THR 80 HG1 THR 80 -6.313 -7.055 -14.267 411 1HG2 THR 80 1HG2 THR 80 -8.511 -7.908 -15.781 412 2HG2 THR 80 2HG2 THR 80 -7.947 -7.713 -17.441 413 3HG2 THR 80 3HG2 THR 80 -8.967 -6.478 -16.706 414 H LEU 81 H LEU 81 -6.252 -5.851 -19.741 415 HA LEU 81 HA LEU 81 -7.521 -3.191 -19.731 416 1HB LEU 81 2HB LEU 81 -6.643 -5.010 -21.997 417 2HB LEU 81 1HB LEU 81 -7.242 -3.368 -22.190 418 HG LEU 81 HG LEU 81 -5.006 -3.757 -20.268 419 1HD1 LEU 81 1HD1 LEU 81 -4.356 -5.171 -22.204 420 2HD1 LEU 81 2HD1 LEU 81 -3.333 -3.742 -22.063 421 3HD1 LEU 81 3HD1 LEU 81 -4.613 -3.795 -23.277 422 1HD2 LEU 81 1HD2 LEU 81 -4.308 -1.596 -21.365 423 2HD2 LEU 81 2HD2 LEU 81 -5.905 -1.532 -20.623 424 3HD2 LEU 81 3HD2 LEU 81 -5.752 -1.702 -22.372 425 HA PRO 82 HA PRO 82 -11.549 -5.118 -20.269 426 1HB PRO 82 2HB PRO 82 -12.978 -2.825 -20.656 427 2HB PRO 82 1HB PRO 82 -12.377 -3.340 -19.072 428 1HG PRO 82 2HG PRO 82 -11.457 -1.138 -20.794 429 2HG PRO 82 1HG PRO 82 -11.260 -1.366 -19.052 430 1HD PRO 82 2HD PRO 82 -9.309 -1.828 -21.092 431 2HD PRO 82 1HD PRO 82 -9.155 -2.150 -19.352 432 H GLU 83 H GLU 83 -13.475 -4.811 -21.927 433 HA GLU 83 HA GLU 83 -12.514 -5.382 -24.541 434 1HB GLU 83 2HB GLU 83 -15.124 -5.029 -23.235 435 2HB GLU 83 1HB GLU 83 -15.129 -4.555 -24.933 436 1HG GLU 83 2HG GLU 83 -14.077 -6.750 -25.502 437 2HG GLU 83 1HG GLU 83 -14.235 -7.224 -23.811 438 H ALA 84 H ALA 84 -13.747 -3.976 -26.426 439 HA ALA 84 HA ALA 84 -13.857 -1.152 -26.146 440 1HB ALA 84 1HB ALA 84 -11.654 -0.840 -27.603 441 2HB ALA 84 2HB ALA 84 -11.179 -2.330 -26.786 442 3HB ALA 84 3HB ALA 84 -11.570 -0.893 -25.841 443 H GLU 85 H GLU 85 -14.653 -0.245 -28.053 444 HA GLU 85 HA GLU 85 -14.266 -1.301 -30.671 445 1HB GLU 85 2HB GLU 85 -16.328 -2.607 -29.049 446 2HB GLU 85 1HB GLU 85 -16.976 -1.948 -30.549 447 1HG GLU 85 2HG GLU 85 -14.394 -3.376 -30.816 448 2HG GLU 85 1HG GLU 85 -15.766 -4.386 -30.362 449 H GLU 86 H GLU 86 -16.576 0.316 -28.505 450 HA GLU 86 HA GLU 86 -16.481 2.782 -29.931 451 1HB GLU 86 2HB GLU 86 -18.809 2.742 -30.874 452 2HB GLU 86 1HB GLU 86 -17.707 1.629 -31.686 453 1HG GLU 86 2HG GLU 86 -18.672 -0.258 -30.702 454 2HG GLU 86 1HG GLU 86 -19.340 0.665 -29.355 455 H LEU 87 H LEU 87 -16.439 1.831 -27.212 456 HA LEU 87 HA LEU 87 -18.664 3.478 -26.135 457 1HB LEU 87 2HB LEU 87 -19.049 1.764 -24.343 458 2HB LEU 87 1HB LEU 87 -19.511 1.208 -25.951 459 HG LEU 87 HG LEU 87 -16.703 0.685 -25.107 460 1HD1 LEU 87 1HD1 LEU 87 -19.070 -0.887 -24.042 461 2HD1 LEU 87 2HD1 LEU 87 -18.001 0.128 -23.075 462 3HD1 LEU 87 3HD1 LEU 87 -17.373 -1.326 -23.851 463 1HD2 LEU 87 1HD2 LEU 87 -18.136 0.022 -27.279 464 2HD2 LEU 87 2HD2 LEU 87 -18.562 -1.348 -26.256 465 3HD2 LEU 87 3HD2 LEU 87 -16.872 -1.029 -26.642 466 H LYS 88 HN LYS 88 -18.126 4.509 -24.168 467 HA LYS 88 HA LYS 88 -15.348 4.053 -23.164 468 1HB LYS 88 2HB LYS 88 -15.179 6.535 -22.839 469 2HB LYS 88 1HB LYS 88 -15.281 6.061 -24.536 470 1HG LYS 88 2HG LYS 88 -17.638 6.609 -24.614 471 2HG LYS 88 1HG LYS 88 -17.672 6.902 -22.875 472 1HD LYS 88 2HD LYS 88 -15.718 8.614 -23.507 473 2HD LYS 88 1HD LYS 88 -16.552 8.598 -25.061 474 1HE LYS 88 2HE LYS 88 -18.223 8.872 -22.603 475 2HE LYS 88 1HE LYS 88 -17.277 10.272 -23.109 476 1HZ LYS 88 1HZ LYS 88 -18.251 9.934 -25.370 477 2HZ LYS 88 2HZ LYS 88 -19.363 10.418 -24.179 478 3HZ LYS 88 3HZ LYS 88 -19.308 8.798 -24.685 479 1H ARG 31 1H ARG 31 3.341 -11.564 -34.286 480 2H ARG 31 2H ARG 31 4.562 -10.588 -34.954 481 3H ARG 31 3H ARG 31 2.934 -10.307 -35.350 482 HA ARG 31 HA ARG 31 4.037 -10.047 -32.607 483 1HB ARG 31 2HB ARG 31 4.890 -8.420 -34.465 484 2HB ARG 31 1HB ARG 31 3.260 -7.750 -34.393 485 1HG ARG 31 2HG ARG 31 3.511 -7.019 -32.190 486 2HG ARG 31 1HG ARG 31 4.796 -8.178 -31.847 487 1HD ARG 31 2HD ARG 31 6.005 -6.776 -33.800 488 2HD ARG 31 1HD ARG 31 4.951 -5.513 -33.164 489 HE ARG 31 HE ARG 31 6.376 -6.925 -31.060 490 1HH1 ARG 31 1HH2 ARG 31 6.599 -4.372 -33.441 491 2HH1 ARG 31 2HH2 ARG 31 7.818 -3.520 -32.558 492 1HH2 ARG 31 1HH1 ARG 31 7.954 -5.789 -29.953 493 2HH2 ARG 31 2HH1 ARG 31 8.578 -4.310 -30.605 494 H SER 32 H SER 32 2.120 -11.077 -31.801 495 HA SER 32 HA SER 32 -0.533 -10.426 -32.588 496 1HB SER 32 2HB SER 32 0.184 -11.169 -29.762 497 2HB SER 32 1HB SER 32 -1.246 -11.613 -30.688 498 HG SER 32 HG SER 32 -0.188 -13.287 -31.363 499 H ASP 33 H ASP 33 1.753 -8.666 -30.638 500 HA ASP 33 HA ASP 33 -0.317 -7.005 -29.405 501 1HB ASP 33 2HB ASP 33 2.674 -6.576 -29.373 502 2HB ASP 33 1HB ASP 33 1.485 -5.871 -28.279 503 H ALA 34 H ALA 34 0.511 -7.093 -32.479 504 HA ALA 34 HA ALA 34 1.113 -4.250 -32.878 505 1HB ALA 34 1HB ALA 34 0.861 -5.084 -35.368 506 2HB ALA 34 2HB ALA 34 1.002 -6.679 -34.631 507 3HB ALA 34 3HB ALA 34 2.302 -5.502 -34.442 508 H GLU 35 H GLU 35 -1.624 -6.324 -32.685 509 HA GLU 35 HA GLU 35 -3.421 -5.131 -34.497 510 1HB GLU 35 2HB GLU 35 -4.139 -6.227 -31.766 511 2HB GLU 35 1HB GLU 35 -5.193 -6.095 -33.167 512 1HG GLU 35 2HG GLU 35 -2.727 -7.566 -33.762 513 2HG GLU 35 1HG GLU 35 -3.674 -8.322 -32.483 514 HA PRO 36 HA PRO 36 -4.565 -1.895 -31.165 515 1HB PRO 36 2HB PRO 36 -3.051 -1.721 -28.898 516 2HB PRO 36 1HB PRO 36 -4.448 -2.797 -29.057 517 1HG PRO 36 2HG PRO 36 -1.592 -3.454 -28.944 518 2HG PRO 36 1HG PRO 36 -2.999 -4.481 -28.635 519 1HD PRO 36 2HD PRO 36 -1.381 -4.379 -31.002 520 2HD PRO 36 1HD PRO 36 -2.794 -5.396 -30.699 521 H HIS 37 H HIS 37 -1.025 -2.396 -31.124 522 HA HIS 37 HA HIS 37 0.714 -1.022 -31.858 523 1HB HIS 37 2HB HIS 37 -1.086 -0.385 -33.651 524 2HB HIS 37 1HB HIS 37 -1.230 1.106 -32.718 525 HD1 HIS 37 HD1 HIS 37 1.775 -0.987 -33.829 526 HD2 HIS 37 HD2 HIS 37 0.447 2.965 -33.863 527 HE1 HIS 37 HE1 HIS 37 3.625 0.381 -34.886 528 H TYR 38 H TYR 38 -1.292 -0.390 -29.345 529 HA TYR 38 HA TYR 38 0.322 1.978 -28.515 530 1HB TYR 38 2HB TYR 38 -1.673 2.545 -27.028 531 2HB TYR 38 1HB TYR 38 -1.913 2.798 -28.754 532 HD1 TYR 38 HD1 TYR 38 -3.505 1.504 -29.999 533 HD2 TYR 38 HD2 TYR 38 -2.637 0.527 -25.907 534 HE1 TYR 38 HE1 TYR 38 -5.456 -0.027 -29.951 535 HE2 TYR 38 HE2 TYR 38 -4.588 -1.004 -25.860 536 HH TYR 38 HH TYR 38 -7.020 -0.938 -27.720 537 H LEU 39 H LEU 39 -1.284 -1.020 -27.546 538 HA LEU 39 HA LEU 39 -0.688 -1.145 -24.824 539 1HB LEU 39 2HB LEU 39 -1.569 -2.918 -26.821 540 2HB LEU 39 1HB LEU 39 -0.160 -3.703 -26.117 541 HG LEU 39 HG LEU 39 -2.148 -4.372 -24.868 542 1HD1 LEU 39 1HD1 LEU 39 -1.217 -4.128 -22.792 543 2HD1 LEU 39 2HD1 LEU 39 -1.093 -2.375 -22.941 544 3HD1 LEU 39 3HD1 LEU 39 0.115 -3.411 -23.700 545 1HD2 LEU 39 1HD2 LEU 39 -2.699 -1.453 -25.031 546 2HD2 LEU 39 2HD2 LEU 39 -3.193 -2.266 -23.547 547 3HD2 LEU 39 3HD2 LEU 39 -3.817 -2.815 -25.102 548 HA PRO 40 HA PRO 40 3.706 -2.876 -25.811 549 1HB PRO 40 2HB PRO 40 4.613 -2.697 -28.386 550 2HB PRO 40 1HB PRO 40 3.755 -4.105 -27.743 551 1HG PRO 40 2HG PRO 40 2.782 -1.971 -29.555 552 2HG PRO 40 1HG PRO 40 2.309 -3.671 -29.447 553 1HD PRO 40 2HD PRO 40 0.850 -1.523 -28.433 554 2HD PRO 40 1HD PRO 40 0.632 -3.221 -27.962 555 H GLN 41 H GLN 41 2.450 0.031 -27.198 556 HA GLN 41 HA GLN 41 4.988 1.461 -27.350 557 1HB GLN 41 2HB GLN 41 3.068 2.129 -28.753 558 2HB GLN 41 1HB GLN 41 2.115 2.452 -27.306 559 1HG GLN 41 2HG GLN 41 3.008 4.553 -28.174 560 2HG GLN 41 1HG GLN 41 3.783 4.180 -26.633 561 1HE2 GLN 41 1HE2 GLN 41 5.884 5.021 -26.925 562 2HE2 GLN 41 2HE2 GLN 41 6.912 4.586 -28.204 563 H LEU 42 H LEU 42 2.425 0.945 -24.997 564 HA LEU 42 HA LEU 42 3.355 2.958 -23.150 565 1HB LEU 42 2HB LEU 42 1.506 0.592 -22.765 566 2HB LEU 42 1HB LEU 42 1.783 1.837 -21.572 567 HG LEU 42 HG LEU 42 0.177 3.117 -22.480 568 1HD1 LEU 42 1HD1 LEU 42 1.303 2.810 -25.271 569 2HD1 LEU 42 2HD1 LEU 42 1.940 3.962 -24.098 570 3HD1 LEU 42 3HD1 LEU 42 0.276 4.100 -24.657 571 1HD2 LEU 42 1HD2 LEU 42 -0.050 0.665 -24.175 572 2HD2 LEU 42 2HD2 LEU 42 -1.044 2.065 -24.575 573 3HD2 LEU 42 3HD2 LEU 42 -1.178 1.315 -22.985 574 H ARG 43 H ARG 43 3.645 -0.598 -23.381 575 HA ARG 43 HA ARG 43 5.065 -0.953 -20.935 576 1HB ARG 43 2HB ARG 43 5.712 -3.118 -21.803 577 2HB ARG 43 1HB ARG 43 4.063 -2.801 -22.298 578 1HG ARG 43 2HG ARG 43 4.908 -2.032 -24.508 579 2HG ARG 43 1HG ARG 43 6.536 -2.488 -24.012 580 1HD ARG 43 2HD ARG 43 5.604 -4.817 -23.551 581 2HD ARG 43 1HD ARG 43 4.146 -4.300 -24.397 582 HE ARG 43 HE ARG 43 5.325 -4.485 -26.424 583 1HH1 ARG 43 1HH2 ARG 43 7.568 -4.351 -23.744 584 2HH1 ARG 43 2HH2 ARG 43 8.940 -4.673 -24.747 585 1HH2 ARG 43 2HH1 ARG 43 7.127 -4.898 -27.683 586 2HH2 ARG 43 1HH1 ARG 43 8.696 -4.979 -26.953 587 H LYS 44 H LYS 44 6.248 -0.345 -24.259 588 HA LYS 44 HA LYS 44 9.000 -0.414 -23.528 589 1HB LYS 44 2HB LYS 44 9.434 0.604 -25.680 590 2HB LYS 44 1HB LYS 44 8.140 -0.565 -25.888 591 1HG LYS 44 2HG LYS 44 6.477 1.220 -25.831 592 2HG LYS 44 1HG LYS 44 7.725 2.416 -25.503 593 1HD LYS 44 2HD LYS 44 7.172 2.468 -27.881 594 2HD LYS 44 1HD LYS 44 8.806 1.835 -27.674 595 1HE LYS 44 2HE LYS 44 7.958 -0.464 -27.876 596 2HE LYS 44 1HE LYS 44 6.313 0.147 -28.048 597 1HZ LYS 44 1HZ LYS 44 7.318 -0.348 -30.194 598 2HZ LYS 44 2HZ LYS 44 8.574 0.751 -29.876 599 3HZ LYS 44 3HZ LYS 44 6.978 1.308 -30.048 600 H ASP 45 H ASP 45 6.498 2.045 -23.358 601 HA ASP 45 HA ASP 45 8.210 4.292 -22.920 602 1HB ASP 45 2HB ASP 45 5.342 3.709 -22.198 603 2HB ASP 45 1HB ASP 45 6.120 5.216 -21.746 604 H ILE 46 H ILE 46 6.555 2.045 -20.655 605 HA ILE 46 HA ILE 46 7.526 3.261 -18.270 606 HB ILE 46 HB ILE 46 5.719 1.496 -18.405 607 1HG1 ILE 46 2HG1 ILE 46 7.961 0.935 -16.442 608 2HG1 ILE 46 1HG1 ILE 46 6.807 2.259 -16.291 609 1HG2 ILE 46 1HG2 ILE 46 6.964 -0.876 -17.953 610 2HG2 ILE 46 2HG2 ILE 46 8.039 -0.185 -19.160 611 3HG2 ILE 46 3HG2 ILE 46 6.331 -0.384 -19.518 612 1HD1 ILE 46 1HD1 ILE 46 5.015 0.828 -15.858 613 2HD1 ILE 46 2HD1 ILE 46 6.339 -0.009 -15.049 614 3HD1 ILE 46 3HD1 ILE 46 5.792 -0.549 -16.637 615 H LEU 47 H LEU 47 9.085 1.116 -20.567 616 HA LEU 47 HA LEU 47 11.320 0.374 -18.923 617 1HB LEU 47 2HB LEU 47 10.836 0.495 -21.895 618 2HB LEU 47 1HB LEU 47 12.437 0.130 -21.265 619 HG LEU 47 HG LEU 47 9.957 -1.373 -20.411 620 1HD1 LEU 47 1HD1 LEU 47 11.790 -1.739 -22.753 621 2HD1 LEU 47 2HD1 LEU 47 10.049 -1.999 -22.647 622 3HD1 LEU 47 3HD1 LEU 47 11.160 -3.170 -21.937 623 1HD2 LEU 47 1HD2 LEU 47 11.901 -3.074 -19.948 624 2HD2 LEU 47 2HD2 LEU 47 11.625 -1.752 -18.813 625 3HD2 LEU 47 3HD2 LEU 47 12.923 -1.639 -20.002 626 H GLU 48 H GLU 48 10.844 2.935 -21.353 627 HA GLU 48 HA GLU 48 13.389 4.200 -20.921 628 1HB GLU 48 2HB GLU 48 10.876 5.613 -21.835 629 2HB GLU 48 1HB GLU 48 12.545 6.039 -22.201 630 1HG GLU 48 2HG GLU 48 11.138 3.528 -23.136 631 2HG GLU 48 1HG GLU 48 11.441 4.955 -24.111 632 H VAL 49 H VAL 49 10.162 4.550 -19.558 633 HA VAL 49 HA VAL 49 10.598 6.898 -18.051 634 HB VAL 49 HB VAL 49 8.850 4.504 -17.384 635 1HG1 VAL 49 1HG1 VAL 49 8.499 5.562 -15.422 636 2HG1 VAL 49 2HG1 VAL 49 7.685 6.824 -16.342 637 3HG1 VAL 49 3HG1 VAL 49 9.396 6.986 -15.941 638 1HG2 VAL 49 1HG2 VAL 49 7.306 5.347 -18.832 639 2HG2 VAL 49 2HG2 VAL 49 8.676 6.191 -19.551 640 3HG2 VAL 49 3HG2 VAL 49 7.651 7.015 -18.377 641 H ILE 50 H ILE 50 10.874 3.477 -16.949 642 HA ILE 50 HA ILE 50 12.057 4.033 -14.424 643 HB ILE 50 HB ILE 50 12.626 1.653 -16.217 644 1HG1 ILE 50 2HG1 ILE 50 10.662 1.538 -13.982 645 2HG1 ILE 50 1HG1 ILE 50 10.157 2.404 -15.434 646 1HG2 ILE 50 1HG2 ILE 50 14.125 2.053 -14.199 647 2HG2 ILE 50 2HG2 ILE 50 13.264 0.513 -14.206 648 3HG2 ILE 50 3HG2 ILE 50 12.689 1.841 -13.197 649 1HD1 ILE 50 1HD1 ILE 50 11.215 -0.437 -15.346 650 2HD1 ILE 50 2HD1 ILE 50 10.746 0.431 -16.808 651 3HD1 ILE 50 3HD1 ILE 50 9.533 0.031 -15.593 652 H CYS 51 H CYS 51 13.378 4.202 -17.643 653 HA CYS 51 HA CYS 51 16.156 4.175 -16.835 654 1HB CYS 51 2HB CYS 51 15.137 3.695 -19.187 655 2HB CYS 51 1HB CYS 51 15.123 5.451 -19.362 656 HG CYS 51 HG CYS 51 17.591 5.445 -19.634 657 H LYS 52 H LYS 52 13.804 6.711 -17.692 658 HA LYS 52 HA LYS 52 15.499 8.964 -17.441 659 1HB LYS 52 2HB LYS 52 12.577 8.806 -16.651 660 2HB LYS 52 1HB LYS 52 13.472 10.275 -17.028 661 1HG LYS 52 2HG LYS 52 13.569 9.791 -19.305 662 2HG LYS 52 1HG LYS 52 13.353 8.059 -19.052 663 1HD LYS 52 2HD LYS 52 11.201 8.520 -19.694 664 2HD LYS 52 1HD LYS 52 11.025 8.969 -17.998 665 1HE LYS 52 2HE LYS 52 10.220 10.890 -19.014 666 2HE LYS 52 1HE LYS 52 11.928 11.307 -18.870 667 1HZ LYS 52 1HZ LYS 52 10.637 10.113 -21.264 668 2HZ LYS 52 2HZ LYS 52 12.279 10.526 -21.123 669 3HZ LYS 52 3HZ LYS 52 11.090 11.738 -21.096 670 H TYR 53 H TYR 53 13.899 7.036 -14.978 671 HA TYR 53 HA TYR 53 14.870 8.873 -12.859 672 1HB TYR 53 2HB TYR 53 12.949 6.527 -12.755 673 2HB TYR 53 1HB TYR 53 13.375 7.549 -11.396 674 HD1 TYR 53 HD1 TYR 53 11.897 9.273 -10.865 675 HD2 TYR 53 HD2 TYR 53 12.160 7.944 -14.932 676 HE1 TYR 53 HE1 TYR 53 10.075 10.831 -11.507 677 HE2 TYR 53 HE2 TYR 53 10.356 9.494 -15.575 678 HH TYR 53 HH TYR 53 9.337 11.557 -14.762 679 H VAL 54 H VAL 54 15.586 5.822 -14.353 680 HA VAL 54 HA VAL 54 17.738 5.357 -12.383 681 HB VAL 54 HB VAL 54 15.977 2.989 -13.011 682 1HG1 VAL 54 1HG1 VAL 54 18.336 3.085 -11.820 683 2HG1 VAL 54 2HG1 VAL 54 17.080 2.001 -11.223 684 3HG1 VAL 54 3HG1 VAL 54 17.372 3.542 -10.416 685 1HG2 VAL 54 1HG2 VAL 54 14.469 4.754 -12.057 686 2HG2 VAL 54 2HG2 VAL 54 15.537 4.860 -10.657 687 3HG2 VAL 54 3HG2 VAL 54 14.661 3.365 -10.988 688 H GLN 55 H GLN 55 17.789 2.454 -13.724 689 HA GLN 55 HA GLN 55 18.251 2.976 -16.520 690 1HB GLN 55 2HB GLN 55 20.408 3.539 -14.673 691 2HB GLN 55 1HB GLN 55 20.863 2.223 -15.753 692 1HG GLN 55 2HG GLN 55 20.215 3.603 -17.700 693 2HG GLN 55 1HG GLN 55 19.785 4.925 -16.614 694 1HE2 GLN 55 1HE2 GLN 55 21.747 5.389 -14.947 695 2HE2 GLN 55 2HE2 GLN 55 23.274 5.497 -15.681 696 H ILE 56 H ILE 56 17.429 1.090 -17.189 697 HA ILE 56 HA ILE 56 18.680 -1.435 -16.229 698 HB ILE 56 HB ILE 56 16.288 -2.439 -16.395 699 1HG1 ILE 56 2HG1 ILE 56 15.255 0.154 -15.410 700 2HG1 ILE 56 1HG1 ILE 56 15.619 0.117 -17.134 701 1HG2 ILE 56 1HG2 ILE 56 17.842 -1.703 -14.315 702 2HG2 ILE 56 2HG2 ILE 56 16.249 -2.429 -14.114 703 3HG2 ILE 56 3HG2 ILE 56 16.438 -0.679 -14.011 704 1HD1 ILE 56 1HD1 ILE 56 13.325 -0.598 -16.856 705 2HD1 ILE 56 2HD1 ILE 56 13.788 -1.758 -15.612 706 3HD1 ILE 56 3HD1 ILE 56 14.278 -2.018 -17.285 707 H ASP 57 H ASP 57 18.064 -3.268 -17.761 708 HA ASP 57 HA ASP 57 18.007 -2.201 -20.544 709 1HB ASP 57 2HB ASP 57 19.173 -4.643 -19.254 710 2HB ASP 57 1HB ASP 57 18.716 -4.725 -20.954 711 HA PRO 58 HA PRO 58 14.069 -4.087 -21.277 712 1HB PRO 58 2HB PRO 58 14.312 -5.011 -23.839 713 2HB PRO 58 1HB PRO 58 14.145 -3.296 -23.436 714 1HG PRO 58 2HG PRO 58 16.561 -4.815 -24.261 715 2HG PRO 58 1HG PRO 58 16.132 -3.124 -24.562 716 1HD PRO 58 2HD PRO 58 17.951 -3.992 -22.635 717 2HD PRO 58 1HD PRO 58 17.145 -2.408 -22.637 718 H GLU 59 H GLU 59 16.919 -6.041 -21.904 719 HA GLU 59 HA GLU 59 15.580 -8.593 -22.019 720 1HB GLU 59 2HB GLU 59 18.415 -7.887 -21.196 721 2HB GLU 59 1HB GLU 59 17.836 -9.521 -21.521 722 1HG GLU 59 2HG GLU 59 17.386 -7.422 -23.605 723 2HG GLU 59 1HG GLU 59 19.009 -8.090 -23.428 724 H MET 60 H MET 60 16.151 -6.366 -19.449 725 HA MET 60 HA MET 60 16.094 -8.428 -17.342 726 1HB MET 60 2HB MET 60 16.361 -5.422 -17.402 727 2HB MET 60 1HB MET 60 16.004 -6.260 -15.897 728 1HG MET 60 2HG MET 60 18.194 -7.504 -17.413 729 2HG MET 60 1HG MET 60 18.538 -5.843 -16.939 730 1HE MET 60 1HE MET 60 17.774 -4.938 -14.805 731 2HE MET 60 2HE MET 60 19.441 -5.284 -14.353 732 3HE MET 60 3HE MET 60 18.134 -5.680 -13.241 733 H VAL 61 H VAL 61 13.935 -6.248 -19.019 734 HA VAL 61 HA VAL 61 11.793 -6.679 -17.019 735 HB VAL 61 HB VAL 61 11.788 -5.023 -19.561 736 1HG1 VAL 61 1HG1 VAL 61 9.585 -5.857 -18.385 737 2HG1 VAL 61 2HG1 VAL 61 9.725 -4.172 -18.883 738 3HG1 VAL 61 3HG1 VAL 61 9.981 -4.615 -17.196 739 1HG2 VAL 61 1HG2 VAL 61 11.795 -3.241 -17.504 740 2HG2 VAL 61 2HG2 VAL 61 13.258 -3.773 -18.330 741 3HG2 VAL 61 3HG2 VAL 61 12.782 -4.526 -16.808 742 H THR 62 H THR 62 10.198 -8.175 -17.359 743 HA THR 62 HA THR 62 10.183 -9.611 -19.944 744 HB THR 62 HB THR 62 8.639 -10.457 -17.502 745 HG1 THR 62 HG1 THR 62 11.373 -10.954 -18.080 746 1HG2 THR 62 1HG2 THR 62 9.318 -12.720 -18.512 747 2HG2 THR 62 2HG2 THR 62 9.828 -11.801 -19.929 748 3HG2 THR 62 3HG2 THR 62 8.142 -11.764 -19.415 749 H VAL 63 H VAL 63 8.058 -10.158 -20.894 750 HA VAL 63 HA VAL 63 5.811 -8.404 -20.055 751 HB VAL 63 HB VAL 63 6.816 -8.576 -22.908 752 1HG1 VAL 63 1HG1 VAL 63 5.056 -7.168 -23.483 753 2HG1 VAL 63 2HG1 VAL 63 4.911 -6.515 -21.851 754 3HG1 VAL 63 3HG1 VAL 63 4.296 -8.129 -22.212 755 1HG2 VAL 63 1HG2 VAL 63 8.373 -7.307 -21.485 756 2HG2 VAL 63 2HG2 VAL 63 7.033 -6.331 -20.881 757 3HG2 VAL 63 3HG2 VAL 63 7.508 -6.226 -22.576 758 H GLN 64 H GLN 64 4.208 -9.875 -19.718 759 HA GLN 64 HA GLN 64 3.852 -12.002 -21.781 760 1HB GLN 64 2HB GLN 64 2.972 -13.454 -19.913 761 2HB GLN 64 1HB GLN 64 4.690 -13.085 -19.786 762 1HG GLN 64 2HG GLN 64 3.010 -11.080 -18.465 763 2HG GLN 64 1HG GLN 64 2.793 -12.687 -17.788 764 1HE2 GLN 64 1HE2 GLN 64 3.992 -12.297 -15.830 765 2HE2 GLN 64 2HE2 GLN 64 5.665 -12.004 -15.829 766 H LEU 65 H LEU 65 1.881 -11.911 -22.748 767 HA LEU 65 HA LEU 65 -0.206 -10.232 -21.485 768 1HB LEU 65 2HB LEU 65 -1.252 -10.319 -23.751 769 2HB LEU 65 1HB LEU 65 0.341 -9.578 -23.741 770 HG LEU 65 HG LEU 65 0.557 -12.455 -24.120 771 1HD1 LEU 65 1HD1 LEU 65 -1.502 -12.580 -25.216 772 2HD1 LEU 65 2HD1 LEU 65 -0.404 -12.221 -26.548 773 3HD1 LEU 65 3HD1 LEU 65 -1.383 -10.935 -25.840 774 1HD2 LEU 65 1HD2 LEU 65 2.041 -10.310 -24.739 775 2HD2 LEU 65 2HD2 LEU 65 1.174 -10.473 -26.267 776 3HD2 LEU 65 3HD2 LEU 65 2.150 -11.810 -25.659 777 H GLU 66 H GLU 66 -1.928 -11.170 -20.568 778 HA GLU 66 HA GLU 66 -2.537 -14.008 -21.269 779 1HB GLU 66 2HB GLU 66 -2.806 -12.503 -18.663 780 2HB GLU 66 1HB GLU 66 -3.614 -14.039 -18.939 781 1HG GLU 66 2HG GLU 66 -0.631 -13.512 -19.043 782 2HG GLU 66 1HG GLU 66 -1.486 -14.386 -17.777 783 H GLN 67 H GLN 67 -4.971 -14.474 -20.691 784 HA GLN 67 HA GLN 67 -6.626 -12.141 -21.546 785 1HB GLN 67 2HB GLN 67 -6.627 -14.953 -22.659 786 2HB GLN 67 1HB GLN 67 -8.000 -13.864 -22.862 787 1HG GLN 67 2HG GLN 67 -6.876 -12.494 -24.318 788 2HG GLN 67 1HG GLN 67 -5.321 -12.756 -23.527 789 1HE2 GLN 67 1HE2 GLN 67 -4.180 -13.360 -25.473 790 2HE2 GLN 67 2HE2 GLN 67 -4.518 -14.797 -26.311 791 H LYS 68 H LYS 68 -9.054 -12.731 -21.214 792 HA LYS 68 HA LYS 68 -9.370 -14.377 -18.737 793 1HB LYS 68 2HB LYS 68 -11.003 -11.881 -19.040 794 2HB LYS 68 1HB LYS 68 -10.486 -12.704 -17.572 795 1HG LYS 68 2HG LYS 68 -8.071 -11.975 -18.508 796 2HG LYS 68 1HG LYS 68 -9.025 -10.692 -19.227 797 1HD LYS 68 2HD LYS 68 -8.754 -11.371 -16.293 798 2HD LYS 68 1HD LYS 68 -8.283 -9.882 -17.100 799 1HE LYS 68 2HE LYS 68 -10.302 -9.014 -16.631 800 2HE LYS 68 1HE LYS 68 -11.059 -10.268 -17.610 801 1HZ LYS 68 1HZ LYS 68 -10.416 -10.380 -14.721 802 2HZ LYS 68 2HZ LYS 68 -10.888 -11.739 -15.625 803 3HZ LYS 68 3HZ LYS 68 -11.951 -10.428 -15.441 804 H ASP 69 H ASP 69 -11.671 -15.028 -18.395 805 HA ASP 69 HA ASP 69 -12.867 -15.831 -20.922 806 1HB ASP 69 2HB ASP 69 -14.559 -16.958 -19.429 807 2HB ASP 69 1HB ASP 69 -12.893 -17.446 -19.132 808 H GLY 70 H GLY 70 -13.050 -13.226 -21.182 809 1HA GLY 70 2HA GLY 70 -15.868 -12.663 -21.265 810 2HA GLY 70 1HA GLY 70 -15.124 -11.782 -19.932 811 H ASP 71 H ASP 71 -13.471 -12.509 -22.955 812 HA ASP 71 HA ASP 71 -12.562 -11.108 -24.590 813 1HB ASP 71 2HB ASP 71 -15.086 -9.619 -23.860 814 2HB ASP 71 1HB ASP 71 -13.953 -8.974 -25.047 815 H ILE 72 H ILE 72 -11.457 -10.983 -22.039 816 HA ILE 72 HA ILE 72 -10.646 -8.112 -21.877 817 HB ILE 72 HB ILE 72 -10.759 -9.973 -19.513 818 1HG1 ILE 72 2HG1 ILE 72 -12.890 -8.099 -20.576 819 2HG1 ILE 72 1HG1 ILE 72 -13.030 -9.829 -20.312 820 1HG2 ILE 72 1HG2 ILE 72 -10.761 -6.948 -19.718 821 2HG2 ILE 72 2HG2 ILE 72 -9.308 -7.914 -19.463 822 3HG2 ILE 72 3HG2 ILE 72 -10.584 -7.902 -18.247 823 1HD1 ILE 72 1HD1 ILE 72 -12.222 -8.665 -17.835 824 2HD1 ILE 72 2HD1 ILE 72 -13.750 -9.456 -18.217 825 3HD1 ILE 72 3HD1 ILE 72 -13.574 -7.718 -18.455 826 H SER 73 H SER 73 -8.421 -7.757 -21.559 827 HA SER 73 HA SER 73 -6.701 -10.192 -21.885 828 1HB SER 73 2HB SER 73 -6.414 -7.335 -22.821 829 2HB SER 73 1HB SER 73 -5.019 -8.406 -22.717 830 HG SER 73 HG SER 73 -7.347 -8.634 -24.300 831 H ILE 74 H ILE 74 -4.443 -9.832 -20.966 832 HA ILE 74 HA ILE 74 -4.375 -8.135 -18.539 833 HB ILE 74 HB ILE 74 -4.004 -11.138 -18.522 834 1HG1 ILE 74 2HG1 ILE 74 -6.150 -9.359 -17.352 835 2HG1 ILE 74 1HG1 ILE 74 -6.351 -10.549 -18.625 836 1HG2 ILE 74 1HG2 ILE 74 -3.827 -9.159 -16.236 837 2HG2 ILE 74 2HG2 ILE 74 -2.442 -9.929 -17.010 838 3HG2 ILE 74 3HG2 ILE 74 -3.610 -10.906 -16.121 839 1HD1 ILE 74 1HD1 ILE 74 -6.698 -12.174 -17.108 840 2HD1 ILE 74 2HD1 ILE 74 -6.606 -10.965 -15.830 841 3HD1 ILE 74 3HD1 ILE 74 -5.154 -11.826 -16.335 842 H LEU 75 H LEU 75 -2.656 -7.031 -19.704 843 HA LEU 75 HA LEU 75 -0.310 -8.562 -20.533 844 1HB LEU 75 2HB LEU 75 -1.130 -6.535 -21.778 845 2HB LEU 75 1HB LEU 75 -0.629 -5.559 -20.398 846 HG LEU 75 HG LEU 75 1.386 -7.460 -21.479 847 1HD1 LEU 75 1HD1 LEU 75 0.045 -6.045 -23.358 848 2HD1 LEU 75 2HD1 LEU 75 1.767 -6.409 -23.479 849 3HD1 LEU 75 3HD1 LEU 75 1.239 -4.839 -22.873 850 1HD2 LEU 75 1HD2 LEU 75 2.107 -6.111 -19.669 851 2HD2 LEU 75 2HD2 LEU 75 1.317 -4.674 -20.318 852 3HD2 LEU 75 3HD2 LEU 75 2.770 -5.306 -21.092 853 H GLU 76 H GLU 76 0.919 -9.333 -18.890 854 HA GLU 76 HA GLU 76 1.459 -7.568 -16.543 855 1HB GLU 76 2HB GLU 76 2.175 -10.496 -16.790 856 2HB GLU 76 1HB GLU 76 2.046 -9.533 -15.323 857 1HG GLU 76 2HG GLU 76 -0.327 -9.447 -15.462 858 2HG GLU 76 1HG GLU 76 -0.329 -10.010 -17.132 859 H LEU 77 H LEU 77 3.461 -6.612 -16.433 860 HA LEU 77 HA LEU 77 5.628 -7.821 -18.105 861 1HB LEU 77 2HB LEU 77 6.568 -5.488 -18.267 862 2HB LEU 77 1HB LEU 77 5.028 -5.707 -19.094 863 HG LEU 77 HG LEU 77 4.924 -4.835 -16.249 864 1HD1 LEU 77 1HD1 LEU 77 5.104 -2.422 -17.218 865 2HD1 LEU 77 2HD1 LEU 77 6.001 -3.191 -18.528 866 3HD1 LEU 77 3HD1 LEU 77 6.592 -3.303 -16.869 867 1HD2 LEU 77 1HD2 LEU 77 2.973 -5.268 -17.920 868 2HD2 LEU 77 2HD2 LEU 77 3.448 -3.729 -18.637 869 3HD2 LEU 77 3HD2 LEU 77 2.922 -3.793 -16.956 870 H ASN 78 H ASN 78 7.398 -8.438 -17.015 871 HA ASN 78 HA ASN 78 7.571 -7.893 -14.125 872 1HB ASN 78 2HB ASN 78 9.379 -9.537 -15.906 873 2HB ASN 78 1HB ASN 78 9.303 -9.583 -14.152 874 1HD2 ASN 78 1HD2 ASN 78 8.038 -11.250 -13.338 875 2HD2 ASN 78 2HD2 ASN 78 6.715 -11.945 -14.133 876 H VAL 79 H VAL 79 9.219 -6.652 -13.213 877 HA VAL 79 HA VAL 79 11.106 -5.361 -15.141 878 HB VAL 79 HB VAL 79 9.975 -4.047 -12.660 879 1HG1 VAL 79 1HG1 VAL 79 11.662 -3.188 -15.007 880 2HG1 VAL 79 2HG1 VAL 79 11.993 -2.991 -13.286 881 3HG1 VAL 79 3HG1 VAL 79 10.749 -2.012 -14.061 882 1HG2 VAL 79 1HG2 VAL 79 9.122 -3.674 -15.552 883 2HG2 VAL 79 2HG2 VAL 79 8.459 -2.837 -14.149 884 3HG2 VAL 79 3HG2 VAL 79 8.193 -4.569 -14.350 885 H THR 80 H THR 80 12.797 -6.802 -14.649 886 HA THR 80 HA THR 80 13.611 -7.256 -11.875 887 HB THR 80 HB THR 80 15.082 -7.919 -14.443 888 HG1 THR 80 HG1 THR 80 13.791 -9.559 -14.609 889 1HG2 THR 80 1HG2 THR 80 15.858 -9.803 -12.732 890 2HG2 THR 80 2HG2 THR 80 15.466 -8.556 -11.547 891 3HG2 THR 80 3HG2 THR 80 16.671 -8.239 -12.796 892 H LEU 81 H LEU 81 14.369 -5.390 -10.905 893 HA LEU 81 HA LEU 81 16.169 -3.588 -12.387 894 1HB LEU 81 2HB LEU 81 15.086 -3.492 -9.553 895 2HB LEU 81 1HB LEU 81 16.031 -2.222 -10.320 896 HG LEU 81 HG LEU 81 13.635 -3.181 -11.797 897 1HD1 LEU 81 1HD1 LEU 81 12.837 -3.013 -9.451 898 2HD1 LEU 81 2HD1 LEU 81 12.132 -1.761 -10.475 899 3HD1 LEU 81 3HD1 LEU 81 13.453 -1.361 -9.376 900 1HD2 LEU 81 1HD2 LEU 81 13.488 -0.701 -12.230 901 2HD2 LEU 81 2HD2 LEU 81 15.008 -1.426 -12.754 902 3HD2 LEU 81 3HD2 LEU 81 14.944 -0.499 -11.255 903 HA PRO 82 HA PRO 82 19.724 -5.631 -10.539 904 1HB PRO 82 2HB PRO 82 21.630 -3.915 -11.473 905 2HB PRO 82 1HB PRO 82 20.825 -5.120 -12.490 906 1HG PRO 82 2HG PRO 82 20.515 -2.194 -12.459 907 2HG PRO 82 1HG PRO 82 20.153 -3.353 -13.745 908 1HD PRO 82 2HD PRO 82 18.296 -2.103 -11.964 909 2HD PRO 82 1HD PRO 82 17.956 -3.345 -13.189 910 H GLU 83 H GLU 83 21.783 -4.825 -9.248 911 HA GLU 83 HA GLU 83 20.908 -3.534 -6.871 912 1HB GLU 83 2HB GLU 83 23.435 -4.577 -7.949 913 2HB GLU 83 1HB GLU 83 23.659 -3.211 -6.859 914 1HG GLU 83 2HG GLU 83 22.208 -4.368 -5.184 915 2HG GLU 83 1HG GLU 83 22.143 -5.765 -6.259 916 H ALA 84 H ALA 84 22.538 -1.589 -6.091 917 HA ALA 84 HA ALA 84 23.225 0.429 -7.968 918 1HB ALA 84 1HB ALA 84 21.246 1.995 -7.131 919 2HB ALA 84 2HB ALA 84 20.410 0.453 -6.947 920 3HB ALA 84 3HB ALA 84 21.029 0.938 -8.526 921 H GLU 85 H GLU 85 24.327 2.089 -6.906 922 HA GLU 85 HA GLU 85 23.907 2.883 -4.202 923 1HB GLU 85 2HB GLU 85 25.528 0.474 -4.600 924 2HB GLU 85 1HB GLU 85 26.404 1.732 -3.731 925 1HG GLU 85 2HG GLU 85 23.603 1.321 -2.858 926 2HG GLU 85 1HG GLU 85 24.694 -0.026 -2.535 927 H GLU 86 H GLU 86 26.352 2.386 -6.738 928 HA GLU 86 HA GLU 86 26.882 5.169 -7.042 929 1HB GLU 86 2HB GLU 86 29.207 5.198 -6.095 930 2HB GLU 86 1HB GLU 86 27.954 5.039 -4.864 931 1HG GLU 86 2HG GLU 86 28.427 2.783 -4.482 932 2HG GLU 86 1HG GLU 86 29.179 2.571 -6.063 933 H LEU 87 H LEU 87 26.449 2.840 -8.679 934 HA LEU 87 HA LEU 87 28.891 3.022 -10.360 935 1HB LEU 87 2HB LEU 87 28.778 0.548 -10.772 936 2HB LEU 87 1HB LEU 87 29.223 0.960 -9.115 937 HG LEU 87 HG LEU 87 26.316 0.652 -9.685 938 1HD1 LEU 87 1HD1 LEU 87 28.216 -1.704 -9.455 939 2HD1 LEU 87 2HD1 LEU 87 27.321 -1.252 -10.906 940 3HD1 LEU 87 3HD1 LEU 87 26.455 -1.799 -9.470 941 1HD2 LEU 87 1HD2 LEU 87 27.724 1.106 -7.445 942 2HD2 LEU 87 2HD2 LEU 87 27.778 -0.657 -7.434 943 3HD2 LEU 87 3HD2 LEU 87 26.224 0.178 -7.429 944 H LYS 88 HN LYS 88 28.448 2.785 -12.589 945 HA LYS 88 HA LYS 88 25.574 2.428 -13.324 946 1HB LYS 88 2HB LYS 88 25.914 4.212 -15.056 947 2HB LYS 88 1HB LYS 88 26.030 4.816 -13.402 948 1HG LYS 88 2HG LYS 88 28.449 4.791 -13.496 949 2HG LYS 88 1HG LYS 88 28.423 3.992 -15.069 950 1HD LYS 88 2HD LYS 88 26.925 6.114 -15.700 951 2HD LYS 88 1HD LYS 88 27.842 6.838 -14.379 952 1HE LYS 88 2HE LYS 88 29.358 5.254 -16.406 953 2HE LYS 88 1HE LYS 88 28.768 6.845 -16.887 954 1HZ LYS 88 1HZ LYS 88 29.805 7.702 -14.796 955 2HZ LYS 88 2HZ LYS 88 30.907 7.146 -15.963 956 3HZ LYS 88 3HZ LYS 88 30.546 6.189 -14.607 Start of MODEL 14 1 1H ARG 31 1H ARG 31 4.536 -0.597 2.796 2 2H ARG 31 2H ARG 31 3.299 0.567 2.829 3 3H ARG 31 3H ARG 31 4.842 0.947 3.428 4 HA ARG 31 HA ARG 31 4.102 0.425 0.603 5 1HB ARG 31 2HB ARG 31 3.801 2.726 1.963 6 2HB ARG 31 1HB ARG 31 5.505 2.882 1.537 7 1HG ARG 31 2HG ARG 31 5.070 3.064 -0.708 8 2HG ARG 31 1HG ARG 31 3.672 1.991 -0.629 9 1HD ARG 31 2HD ARG 31 2.539 3.969 -0.910 10 2HD ARG 31 1HD ARG 31 2.721 4.035 0.843 11 HE ARG 31 HE ARG 31 4.972 5.226 -0.573 12 1HH1 ARG 31 1HH2 ARG 31 1.756 5.776 0.688 13 2HH1 ARG 31 2HH2 ARG 31 1.996 7.482 0.833 14 1HH2 ARG 31 1HH1 ARG 31 5.239 7.437 -0.371 15 2HH2 ARG 31 2HH1 ARG 31 3.945 8.415 0.241 16 H SER 32 H SER 32 5.717 -1.409 0.859 17 HA SER 32 HA SER 32 8.461 -0.958 1.458 18 1HB SER 32 2HB SER 32 7.553 -2.955 -0.601 19 2HB SER 32 1HB SER 32 8.866 -3.093 0.564 20 HG SER 32 HG SER 32 7.316 -4.197 1.552 21 H ASP 33 H ASP 33 6.585 -0.138 -1.360 22 HA ASP 33 HA ASP 33 8.952 0.168 -3.054 23 1HB ASP 33 2HB ASP 33 6.114 1.036 -3.629 24 2HB ASP 33 1HB ASP 33 7.419 0.826 -4.797 25 H ALA 34 H ALA 34 8.161 1.917 -0.520 26 HA ALA 34 HA ALA 34 8.181 4.576 -1.765 27 1HB ALA 34 1HB ALA 34 6.740 4.553 0.087 28 2HB ALA 34 2HB ALA 34 8.218 5.239 0.762 29 3HB ALA 34 3HB ALA 34 7.829 3.541 1.035 30 H GLU 35 H GLU 35 10.391 2.271 -0.484 31 HA GLU 35 HA GLU 35 12.427 3.880 0.601 32 1HB GLU 35 2HB GLU 35 12.843 1.379 -1.057 33 2HB GLU 35 1HB GLU 35 13.929 2.033 0.163 34 1HG GLU 35 2HG GLU 35 11.209 1.620 1.185 35 2HG GLU 35 1HG GLU 35 11.953 0.130 0.608 36 HA PRO 36 HA PRO 36 14.239 4.505 -3.792 37 1HB PRO 36 2HB PRO 36 12.748 3.776 -5.959 38 2HB PRO 36 1HB PRO 36 13.843 2.671 -5.115 39 1HG PRO 36 2HG PRO 36 10.909 2.713 -5.163 40 2HG PRO 36 1HG PRO 36 12.011 1.393 -4.749 41 1HD PRO 36 2HD PRO 36 10.548 3.087 -2.955 42 2HD PRO 36 1HD PRO 36 11.668 1.785 -2.541 43 H HIS 37 H HIS 37 10.685 4.858 -3.931 44 HA HIS 37 HA HIS 37 9.360 6.766 -4.185 45 1HB HIS 37 2HB HIS 37 11.343 7.870 -2.890 46 2HB HIS 37 1HB HIS 37 11.792 8.514 -4.470 47 HD1 HIS 37 HD1 HIS 37 10.901 10.826 -4.684 48 HD2 HIS 37 HD2 HIS 37 8.213 8.336 -2.696 49 HE1 HIS 37 HE1 HIS 37 8.845 12.226 -4.209 50 H TYR 38 H TYR 38 11.408 5.508 -6.470 51 HA TYR 38 HA TYR 38 10.291 7.300 -8.580 52 1HB TYR 38 2HB TYR 38 12.274 6.499 -9.974 53 2HB TYR 38 1HB TYR 38 12.667 7.587 -8.646 54 HD1 TYR 38 HD1 TYR 38 12.712 4.056 -9.773 55 HD2 TYR 38 HD2 TYR 38 13.945 6.845 -6.747 56 HE1 TYR 38 HE1 TYR 38 14.247 2.353 -8.826 57 HE2 TYR 38 HE2 TYR 38 15.476 5.141 -5.800 58 HH TYR 38 HH TYR 38 16.630 3.129 -6.477 59 H LEU 39 H LEU 39 11.050 3.995 -7.596 60 HA LEU 39 HA LEU 39 10.290 2.545 -9.866 61 1HB LEU 39 2HB LEU 39 10.826 1.999 -7.144 62 2HB LEU 39 1HB LEU 39 9.258 1.271 -7.475 63 HG LEU 39 HG LEU 39 11.030 -0.345 -7.964 64 1HD1 LEU 39 1HD1 LEU 39 10.268 0.517 -10.720 65 2HD1 LEU 39 2HD1 LEU 39 8.961 0.148 -9.594 66 3HD1 LEU 39 3HD1 LEU 39 10.169 -1.079 -9.974 67 1HD2 LEU 39 1HD2 LEU 39 12.435 0.442 -10.128 68 2HD2 LEU 39 2HD2 LEU 39 12.996 0.721 -8.480 69 3HD2 LEU 39 3HD2 LEU 39 12.187 2.012 -9.366 70 HA PRO 40 HA PRO 40 5.685 2.701 -8.418 71 1HB PRO 40 2HB PRO 40 5.007 4.531 -6.499 72 2HB PRO 40 1HB PRO 40 5.467 2.858 -6.147 73 1HG PRO 40 2HG PRO 40 7.026 5.357 -5.799 74 2HG PRO 40 1HG PRO 40 7.085 3.848 -4.880 75 1HD PRO 40 2HD PRO 40 8.932 4.636 -6.813 76 2HD PRO 40 1HD PRO 40 8.725 2.978 -6.212 77 H GLN 41 H GLN 41 7.626 5.560 -8.784 78 HA GLN 41 HA GLN 41 5.502 7.313 -9.715 79 1HB GLN 41 2HB GLN 41 7.643 8.205 -8.840 80 2HB GLN 41 1HB GLN 41 8.509 7.418 -10.158 81 1HG GLN 41 2HG GLN 41 8.159 9.769 -10.714 82 2HG GLN 41 1HG GLN 41 7.180 8.767 -11.786 83 1HE2 GLN 41 1HE2 GLN 41 5.387 10.155 -12.135 84 2HE2 GLN 41 2HE2 GLN 41 4.397 10.742 -10.888 85 H LEU 42 H LEU 42 7.751 5.012 -11.143 86 HA LEU 42 HA LEU 42 7.139 5.679 -13.873 87 1HB LEU 42 2HB LEU 42 8.347 3.183 -12.657 88 2HB LEU 42 1HB LEU 42 8.251 3.496 -14.368 89 HG LEU 42 HG LEU 42 10.167 4.673 -14.324 90 1HD1 LEU 42 1HD1 LEU 42 9.292 6.274 -11.908 91 2HD1 LEU 42 2HD1 LEU 42 8.819 6.678 -13.557 92 3HD1 LEU 42 3HD1 LEU 42 10.520 6.702 -13.096 93 1HD2 LEU 42 1HD2 LEU 42 10.046 3.654 -11.515 94 2HD2 LEU 42 2HD2 LEU 42 11.359 4.739 -11.971 95 3HD2 LEU 42 3HD2 LEU 42 11.141 3.210 -12.824 96 H ARG 43 H ARG 43 6.243 2.856 -11.836 97 HA ARG 43 HA ARG 43 4.496 1.585 -13.592 98 1HB ARG 43 2HB ARG 43 3.443 0.574 -11.674 99 2HB ARG 43 1HB ARG 43 5.149 0.759 -11.323 100 1HG ARG 43 2HG ARG 43 4.641 2.843 -10.077 101 2HG ARG 43 1HG ARG 43 2.924 2.565 -10.354 102 1HD ARG 43 2HD ARG 43 3.175 0.329 -9.234 103 2HD ARG 43 1HD ARG 43 4.827 0.782 -8.815 104 HE ARG 43 HE ARG 43 2.887 2.773 -7.964 105 1HH1 ARG 43 1HH2 ARG 43 4.403 -0.268 -7.137 106 2HH1 ARG 43 2HH2 ARG 43 4.132 -0.058 -5.442 107 1HH2 ARG 43 2HH1 ARG 43 2.556 3.004 -5.764 108 2HH2 ARG 43 1HH1 ARG 43 3.098 1.774 -4.671 109 H LYS 44 H LYS 44 3.667 4.311 -11.406 110 HA LYS 44 HA LYS 44 0.934 4.366 -12.212 111 1HB LYS 44 2HB LYS 44 0.838 6.563 -11.169 112 2HB LYS 44 1HB LYS 44 1.774 5.483 -10.148 113 1HG LYS 44 2HG LYS 44 3.845 6.416 -11.007 114 2HG LYS 44 1HG LYS 44 2.964 7.437 -12.135 115 1HD LYS 44 2HD LYS 44 3.519 8.825 -10.259 116 2HD LYS 44 1HD LYS 44 1.801 8.457 -10.118 117 1HE LYS 44 2HE LYS 44 2.894 6.356 -8.753 118 2HE LYS 44 1HE LYS 44 4.050 7.636 -8.387 119 1HZ LYS 44 1HZ LYS 44 2.236 9.035 -7.656 120 2HZ LYS 44 2HZ LYS 44 2.232 7.575 -6.789 121 3HZ LYS 44 3HZ LYS 44 1.108 7.828 -8.038 122 H ASP 45 H ASP 45 3.903 5.662 -13.603 123 HA ASP 45 HA ASP 45 2.692 7.523 -15.396 124 1HB ASP 45 2HB ASP 45 5.260 5.941 -15.672 125 2HB ASP 45 1HB ASP 45 4.772 7.239 -16.744 126 H ILE 46 H ILE 46 3.585 4.059 -15.846 127 HA ILE 46 HA ILE 46 2.664 3.846 -18.524 128 HB ILE 46 HB ILE 46 3.952 2.116 -17.041 129 1HG1 ILE 46 2HG1 ILE 46 3.148 0.314 -18.594 130 2HG1 ILE 46 1HG1 ILE 46 1.884 1.417 -19.129 131 1HG2 ILE 46 1HG2 ILE 46 1.391 0.641 -16.843 132 2HG2 ILE 46 2HG2 ILE 46 1.648 1.900 -15.641 133 3HG2 ILE 46 3HG2 ILE 46 2.809 0.586 -15.796 134 1HD1 ILE 46 1HD1 ILE 46 4.328 2.864 -19.205 135 2HD1 ILE 46 2HD1 ILE 46 3.339 2.339 -20.566 136 3HD1 ILE 46 3HD1 ILE 46 4.623 1.298 -19.958 137 H LEU 47 H LEU 47 0.873 3.745 -15.469 138 HA LEU 47 HA LEU 47 -1.627 2.841 -16.502 139 1HB LEU 47 2HB LEU 47 -0.835 4.574 -14.167 140 2HB LEU 47 1HB LEU 47 -2.532 4.314 -14.553 141 HG LEU 47 HG LEU 47 -0.594 2.021 -14.237 142 1HD1 LEU 47 1HD1 LEU 47 -1.020 3.690 -12.189 143 2HD1 LEU 47 2HD1 LEU 47 -0.933 1.944 -11.958 144 3HD1 LEU 47 3HD1 LEU 47 -2.502 2.743 -12.059 145 1HD2 LEU 47 1HD2 LEU 47 -2.601 1.374 -15.357 146 2HD2 LEU 47 2HD2 LEU 47 -3.602 2.342 -14.275 147 3HD2 LEU 47 3HD2 LEU 47 -2.820 0.879 -13.679 148 H GLU 48 H GLU 48 -0.319 6.130 -16.097 149 HA GLU 48 HA GLU 48 -2.552 7.443 -17.363 150 1HB GLU 48 2HB GLU 48 0.254 8.552 -17.322 151 2HB GLU 48 1HB GLU 48 -1.268 9.437 -17.295 152 1HG GLU 48 2HG GLU 48 -0.175 7.715 -15.056 153 2HG GLU 48 1HG GLU 48 -0.215 9.466 -15.094 154 H VAL 49 H VAL 49 0.548 6.159 -18.424 155 HA VAL 49 HA VAL 49 0.539 7.200 -21.059 156 HB VAL 49 HB VAL 49 1.653 4.540 -20.103 157 1HG1 VAL 49 1HG1 VAL 49 3.037 4.573 -22.057 158 2HG1 VAL 49 2HG1 VAL 49 2.546 6.218 -22.458 159 3HG1 VAL 49 3HG1 VAL 49 1.395 4.893 -22.615 160 1HG2 VAL 49 1HG2 VAL 49 3.497 6.787 -20.559 161 2HG2 VAL 49 2HG2 VAL 49 3.398 5.675 -19.195 162 3HG2 VAL 49 3HG2 VAL 49 2.348 7.089 -19.255 163 H ILE 50 H ILE 50 -0.535 3.958 -19.927 164 HA ILE 50 HA ILE 50 -1.742 3.114 -22.354 165 HB ILE 50 HB ILE 50 -2.684 2.514 -19.529 166 1HG1 ILE 50 2HG1 ILE 50 -0.968 0.665 -21.135 167 2HG1 ILE 50 1HG1 ILE 50 -0.191 2.055 -20.376 168 1HG2 ILE 50 1HG2 ILE 50 -4.237 1.931 -21.452 169 2HG2 ILE 50 2HG2 ILE 50 -3.718 0.559 -20.472 170 3HG2 ILE 50 3HG2 ILE 50 -2.974 0.852 -22.044 171 1HD1 ILE 50 1HD1 ILE 50 -1.996 0.144 -18.874 172 2HD1 ILE 50 2HD1 ILE 50 -0.948 1.388 -18.192 173 3HD1 ILE 50 3HD1 ILE 50 -0.244 -0.041 -18.949 174 H CYS 51 H CYS 51 -2.780 5.452 -19.978 175 HA CYS 51 HA CYS 51 -5.540 5.568 -20.819 176 1HB CYS 51 2HB CYS 51 -4.486 6.397 -18.592 177 2HB CYS 51 1HB CYS 51 -4.041 7.834 -19.511 178 HG CYS 51 HG CYS 51 -7.009 6.907 -19.131 179 H LYS 52 H LYS 52 -2.645 7.535 -21.495 180 HA LYS 52 HA LYS 52 -3.829 9.465 -23.189 181 1HB LYS 52 2HB LYS 52 -1.070 8.245 -23.471 182 2HB LYS 52 1HB LYS 52 -1.596 9.778 -24.159 183 1HG LYS 52 2HG LYS 52 -1.709 10.824 -22.062 184 2HG LYS 52 1HG LYS 52 -1.800 9.290 -21.195 185 1HD LYS 52 2HD LYS 52 0.427 9.695 -20.831 186 2HD LYS 52 1HD LYS 52 0.589 8.969 -22.429 187 1HE LYS 52 2HE LYS 52 1.792 10.970 -22.654 188 2HE LYS 52 1HE LYS 52 0.210 11.393 -23.310 189 1HZ LYS 52 1HZ LYS 52 0.707 13.107 -21.839 190 2HZ LYS 52 2HZ LYS 52 1.344 12.058 -20.664 191 3HZ LYS 52 3HZ LYS 52 -0.331 12.107 -20.944 192 H TYR 53 H TYR 53 -2.829 6.163 -23.876 193 HA TYR 53 HA TYR 53 -3.524 6.512 -26.738 194 1HB TYR 53 2HB TYR 53 -2.149 4.251 -25.256 195 2HB TYR 53 1HB TYR 53 -2.439 4.294 -26.986 196 HD1 TYR 53 HD1 TYR 53 -0.709 5.065 -28.357 197 HD2 TYR 53 HD2 TYR 53 -0.936 6.456 -24.307 198 HE1 TYR 53 HE1 TYR 53 1.418 6.310 -28.651 199 HE2 TYR 53 HE2 TYR 53 1.175 7.699 -24.598 200 HH TYR 53 HH TYR 53 3.230 7.480 -26.130 201 H VAL 54 H VAL 54 -4.792 5.207 -23.787 202 HA VAL 54 HA VAL 54 -7.119 4.131 -25.245 203 HB VAL 54 HB VAL 54 -5.862 2.274 -23.227 204 1HG1 VAL 54 1HG1 VAL 54 -8.228 2.164 -24.410 205 2HG1 VAL 54 2HG1 VAL 54 -7.287 0.695 -24.155 206 3HG1 VAL 54 3HG1 VAL 54 -7.292 1.475 -25.736 207 1HG2 VAL 54 1HG2 VAL 54 -4.079 2.742 -24.917 208 2HG2 VAL 54 2HG2 VAL 54 -5.202 2.275 -26.194 209 3HG2 VAL 54 3HG2 VAL 54 -4.669 1.083 -25.010 210 H GLN 55 H GLN 55 -7.674 2.666 -22.454 211 HA GLN 55 HA GLN 55 -7.805 4.817 -20.543 212 1HB GLN 55 2HB GLN 55 -9.976 4.550 -22.472 213 2HB GLN 55 1HB GLN 55 -10.551 4.382 -20.813 214 1HG GLN 55 2HG GLN 55 -10.005 6.542 -20.257 215 2HG GLN 55 1HG GLN 55 -8.623 6.586 -21.352 216 1HE2 GLN 55 1HE2 GLN 55 -12.040 7.274 -21.067 217 2HE2 GLN 55 2HE2 GLN 55 -12.252 7.873 -22.641 218 H ILE 56 H ILE 56 -7.399 3.606 -18.799 219 HA ILE 56 HA ILE 56 -9.163 1.277 -18.223 220 HB ILE 56 HB ILE 56 -7.024 0.159 -17.266 221 1HG1 ILE 56 2HG1 ILE 56 -5.507 1.460 -19.454 222 2HG1 ILE 56 1HG1 ILE 56 -5.827 2.490 -18.058 223 1HG2 ILE 56 1HG2 ILE 56 -8.421 -0.142 -19.598 224 2HG2 ILE 56 2HG2 ILE 56 -7.108 -1.197 -19.079 225 3HG2 ILE 56 3HG2 ILE 56 -6.787 0.121 -20.206 226 1HD1 ILE 56 1HD1 ILE 56 -5.073 0.226 -16.783 227 2HD1 ILE 56 2HD1 ILE 56 -3.931 1.484 -17.254 228 3HD1 ILE 56 3HD1 ILE 56 -4.134 0.055 -18.267 229 H ASP 57 H ASP 57 -8.849 0.611 -15.854 230 HA ASP 57 HA ASP 57 -8.523 3.086 -14.219 231 1HB ASP 57 2HB ASP 57 -10.155 0.579 -13.928 232 2HB ASP 57 1HB ASP 57 -9.704 1.483 -12.481 233 HA PRO 58 HA PRO 58 -4.986 1.352 -12.196 234 1HB PRO 58 2HB PRO 58 -5.311 2.185 -9.610 235 2HB PRO 58 1HB PRO 58 -4.836 3.267 -10.929 236 1HG PRO 58 2HG PRO 58 -7.467 2.978 -9.578 237 2HG PRO 58 1HG PRO 58 -6.714 4.413 -10.289 238 1HD PRO 58 2HD PRO 58 -8.731 2.907 -11.490 239 2HD PRO 58 1HD PRO 58 -7.636 4.014 -12.348 240 H GLU 59 H GLU 59 -8.122 0.711 -10.742 241 HA GLU 59 HA GLU 59 -7.281 -1.486 -9.069 242 1HB GLU 59 2HB GLU 59 -9.933 -0.610 -10.217 243 2HB GLU 59 1HB GLU 59 -9.785 -2.111 -9.303 244 1HG GLU 59 2HG GLU 59 -8.596 -0.646 -7.515 245 2HG GLU 59 1HG GLU 59 -9.331 0.715 -8.364 246 H MET 60 H MET 60 -7.566 -1.138 -12.484 247 HA MET 60 HA MET 60 -8.082 -4.000 -12.965 248 1HB MET 60 2HB MET 60 -7.672 -1.580 -14.731 249 2HB MET 60 1HB MET 60 -7.692 -3.210 -15.392 250 1HG MET 60 2HG MET 60 -9.925 -2.714 -13.552 251 2HG MET 60 1HG MET 60 -9.927 -1.619 -14.932 252 1HE MET 60 1HE MET 60 -9.076 -2.435 -17.124 253 2HE MET 60 2HE MET 60 -10.800 -2.502 -17.478 254 3HE MET 60 3HE MET 60 -9.755 -3.835 -17.964 255 H VAL 61 H VAL 61 -5.404 -1.759 -12.754 256 HA VAL 61 HA VAL 61 -3.549 -3.733 -13.961 257 HB VAL 61 HB VAL 61 -2.959 -0.953 -12.904 258 1HG1 VAL 61 1HG1 VAL 61 -1.424 -2.605 -14.921 259 2HG1 VAL 61 2HG1 VAL 61 -1.070 -2.651 -13.193 260 3HG1 VAL 61 3HG1 VAL 61 -0.893 -1.143 -14.090 261 1HG2 VAL 61 1HG2 VAL 61 -3.994 -1.950 -15.535 262 2HG2 VAL 61 2HG2 VAL 61 -2.859 -0.600 -15.534 263 3HG2 VAL 61 3HG2 VAL 61 -4.389 -0.465 -14.669 264 H THR 62 H THR 62 -2.484 -5.132 -12.639 265 HA THR 62 HA THR 62 -2.509 -4.649 -9.736 266 HB THR 62 HB THR 62 -1.346 -7.089 -11.059 267 HG1 THR 62 HG1 THR 62 -3.367 -7.925 -11.247 268 1HG2 THR 62 1HG2 THR 62 -2.687 -6.458 -8.424 269 2HG2 THR 62 2HG2 THR 62 -1.031 -7.004 -8.694 270 3HG2 THR 62 3HG2 THR 62 -2.379 -8.108 -8.965 271 H VAL 63 H VAL 63 -0.499 -4.955 -8.494 272 HA VAL 63 HA VAL 63 2.011 -4.573 -10.040 273 HB VAL 63 HB VAL 63 1.195 -2.829 -7.701 274 1HG1 VAL 63 1HG1 VAL 63 3.214 -1.528 -8.398 275 2HG1 VAL 63 2HG1 VAL 63 3.574 -2.785 -9.583 276 3HG1 VAL 63 3HG1 VAL 63 3.610 -3.160 -7.860 277 1HG2 VAL 63 1HG2 VAL 63 1.349 -1.070 -9.654 278 2HG2 VAL 63 2HG2 VAL 63 -0.131 -2.005 -9.436 279 3HG2 VAL 63 3HG2 VAL 63 1.032 -2.472 -10.677 280 H GLN 64 H GLN 64 3.574 -5.880 -9.214 281 HA GLN 64 HA GLN 64 3.489 -6.600 -6.342 282 1HB GLN 64 2HB GLN 64 3.836 -9.018 -6.964 283 2HB GLN 64 1HB GLN 64 2.240 -8.398 -7.380 284 1HG GLN 64 2HG GLN 64 4.229 -8.003 -9.513 285 2HG GLN 64 1HG GLN 64 3.949 -9.699 -9.127 286 1HE2 GLN 64 1HE2 GLN 64 1.948 -10.627 -9.775 287 2HE2 GLN 64 2HE2 GLN 64 0.728 -9.757 -10.572 288 H LEU 65 H LEU 65 5.534 -6.740 -5.472 289 HA LEU 65 HA LEU 65 7.794 -6.488 -7.381 290 1HB LEU 65 2HB LEU 65 9.006 -5.541 -5.419 291 2HB LEU 65 1HB LEU 65 7.607 -4.589 -5.895 292 HG LEU 65 HG LEU 65 7.026 -6.721 -3.932 293 1HD1 LEU 65 1HD1 LEU 65 8.956 -4.477 -3.343 294 2HD1 LEU 65 2HD1 LEU 65 9.092 -6.184 -2.920 295 3HD1 LEU 65 3HD1 LEU 65 7.934 -5.157 -2.077 296 1HD2 LEU 65 1HD2 LEU 65 6.108 -4.400 -2.885 297 2HD2 LEU 65 2HD2 LEU 65 5.236 -5.298 -4.128 298 3HD2 LEU 65 3HD2 LEU 65 6.246 -3.923 -4.577 299 H GLU 66 H GLU 66 9.632 -7.767 -7.116 300 HA GLU 66 HA GLU 66 9.551 -9.897 -5.044 301 1HB GLU 66 2HB GLU 66 9.773 -10.285 -8.032 302 2HB GLU 66 1HB GLU 66 10.367 -11.495 -6.902 303 1HG GLU 66 2HG GLU 66 7.531 -10.437 -7.073 304 2HG GLU 66 1HG GLU 66 8.075 -12.017 -7.627 305 H GLN 67 H GLN 67 11.802 -11.126 -5.215 306 HA GLN 67 HA GLN 67 13.979 -9.302 -6.069 307 1HB GLN 67 2HB GLN 67 13.286 -9.994 -3.241 308 2HB GLN 67 1HB GLN 67 14.992 -9.887 -3.673 309 1HG GLN 67 2HG GLN 67 14.797 -7.618 -4.335 310 2HG GLN 67 1HG GLN 67 13.037 -7.706 -4.404 311 1HE2 GLN 67 1HE2 GLN 67 11.879 -7.243 -2.487 312 2HE2 GLN 67 2HE2 GLN 67 12.617 -6.938 -0.990 313 H LYS 68 H LYS 68 16.077 -10.401 -6.115 314 HA LYS 68 HA LYS 68 15.778 -13.370 -6.281 315 1HB LYS 68 2HB LYS 68 17.457 -11.404 -7.805 316 2HB LYS 68 1HB LYS 68 17.952 -13.090 -7.698 317 1HG LYS 68 2HG LYS 68 16.331 -13.775 -9.125 318 2HG LYS 68 1HG LYS 68 15.107 -12.763 -8.362 319 1HD LYS 68 2HD LYS 68 15.460 -12.009 -10.656 320 2HD LYS 68 1HD LYS 68 16.060 -10.782 -9.540 321 1HE LYS 68 2HE LYS 68 17.778 -10.994 -11.156 322 2HE LYS 68 1HE LYS 68 18.351 -11.943 -9.784 323 1HZ LYS 68 1HZ LYS 68 18.660 -13.306 -11.637 324 2HZ LYS 68 2HZ LYS 68 17.153 -12.906 -12.310 325 3HZ LYS 68 3HZ LYS 68 17.235 -13.890 -10.928 326 H ASP 69 H ASP 69 18.055 -14.458 -5.934 327 HA ASP 69 HA ASP 69 18.930 -13.704 -3.266 328 1HB ASP 69 2HB ASP 69 19.996 -15.851 -5.116 329 2HB ASP 69 1HB ASP 69 20.321 -15.714 -3.388 330 H GLY 70 H GLY 70 19.865 -12.709 -6.375 331 1HA GLY 70 2HA GLY 70 22.695 -12.275 -5.593 332 2HA GLY 70 1HA GLY 70 22.029 -12.042 -7.209 333 H ASP 71 H ASP 71 20.488 -10.784 -4.311 334 HA ASP 71 HA ASP 71 20.014 -8.589 -3.649 335 1HB ASP 71 2HB ASP 71 22.774 -8.318 -4.831 336 2HB ASP 71 1HB ASP 71 21.902 -6.899 -4.256 337 H ILE 72 H ILE 72 18.654 -9.360 -5.848 338 HA ILE 72 HA ILE 72 18.683 -6.917 -7.567 339 HB ILE 72 HB ILE 72 17.914 -9.682 -8.516 340 1HG1 ILE 72 2HG1 ILE 72 20.588 -8.256 -8.644 341 2HG1 ILE 72 1HG1 ILE 72 20.250 -9.802 -7.884 342 1HG2 ILE 72 1HG2 ILE 72 18.287 -8.597 -10.742 343 2HG2 ILE 72 2HG2 ILE 72 18.562 -7.071 -9.904 344 3HG2 ILE 72 3HG2 ILE 72 16.984 -7.855 -9.816 345 1HD1 ILE 72 1HD1 ILE 72 19.400 -9.975 -10.609 346 2HD1 ILE 72 2HD1 ILE 72 20.701 -10.860 -9.815 347 3HD1 ILE 72 3HD1 ILE 72 21.034 -9.311 -10.589 348 H SER 73 H SER 73 16.513 -6.437 -8.504 349 HA SER 73 HA SER 73 14.319 -7.428 -6.723 350 1HB SER 73 2HB SER 73 14.892 -4.698 -7.861 351 2HB SER 73 1HB SER 73 13.257 -5.150 -7.390 352 HG SER 73 HG SER 73 15.593 -5.194 -5.770 353 H ILE 74 H ILE 74 12.145 -7.314 -7.781 354 HA ILE 74 HA ILE 74 12.161 -7.482 -10.736 355 HB ILE 74 HB ILE 74 11.343 -9.749 -8.895 356 1HG1 ILE 74 2HG1 ILE 74 13.457 -9.539 -11.054 357 2HG1 ILE 74 1HG1 ILE 74 13.749 -9.630 -9.323 358 1HG2 ILE 74 1HG2 ILE 74 11.115 -9.637 -11.916 359 2HG2 ILE 74 2HG2 ILE 74 9.756 -9.387 -10.822 360 3HG2 ILE 74 3HG2 ILE 74 10.580 -10.944 -10.859 361 1HD1 ILE 74 1HD1 ILE 74 12.050 -11.823 -10.146 362 2HD1 ILE 74 2HD1 ILE 74 13.626 -11.874 -9.357 363 3HD1 ILE 74 3HD1 ILE 74 13.524 -11.795 -11.115 364 H LEU 75 H LEU 75 10.805 -5.591 -10.579 365 HA LEU 75 HA LEU 75 8.287 -5.793 -9.092 366 1HB LEU 75 2HB LEU 75 9.693 -3.678 -9.246 367 2HB LEU 75 1HB LEU 75 9.150 -3.552 -10.915 368 HG LEU 75 HG LEU 75 6.964 -4.048 -9.002 369 1HD1 LEU 75 1HD1 LEU 75 7.212 -1.357 -8.600 370 2HD1 LEU 75 2HD1 LEU 75 8.901 -1.861 -8.547 371 3HD1 LEU 75 3HD1 LEU 75 7.732 -2.580 -7.441 372 1HD2 LEU 75 1HD2 LEU 75 6.291 -1.819 -10.345 373 2HD2 LEU 75 2HD2 LEU 75 6.164 -3.421 -11.071 374 3HD2 LEU 75 3HD2 LEU 75 7.562 -2.403 -11.419 375 H GLU 76 H GLU 76 6.784 -7.051 -10.048 376 HA GLU 76 HA GLU 76 6.408 -6.858 -13.000 377 1HB GLU 76 2HB GLU 76 5.145 -8.840 -11.083 378 2HB GLU 76 1HB GLU 76 5.206 -8.945 -12.841 379 1HG GLU 76 2HG GLU 76 7.047 -10.235 -12.509 380 2HG GLU 76 1HG GLU 76 7.875 -8.709 -12.198 381 H LEU 77 H LEU 77 4.344 -6.278 -13.824 382 HA LEU 77 HA LEU 77 2.271 -5.511 -11.832 383 1HB LEU 77 2HB LEU 77 1.880 -3.386 -13.157 384 2HB LEU 77 1HB LEU 77 3.382 -3.417 -12.236 385 HG LEU 77 HG LEU 77 3.408 -4.380 -15.076 386 1HD1 LEU 77 1HD1 LEU 77 4.137 -1.828 -15.441 387 2HD1 LEU 77 2HD1 LEU 77 2.980 -1.586 -14.133 388 3HD1 LEU 77 3HD1 LEU 77 2.465 -2.357 -15.633 389 1HD2 LEU 77 1HD2 LEU 77 5.315 -3.241 -13.057 390 2HD2 LEU 77 2HD2 LEU 77 5.678 -3.057 -14.773 391 3HD2 LEU 77 3HD2 LEU 77 5.497 -4.667 -14.077 392 H ASN 78 H ASN 78 0.288 -6.198 -12.477 393 HA ASN 78 HA ASN 78 0.016 -7.411 -15.151 394 1HB ASN 78 2HB ASN 78 -2.068 -7.217 -12.970 395 2HB ASN 78 1HB ASN 78 -2.009 -8.356 -14.299 396 1HD2 ASN 78 1HD2 ASN 78 0.962 -8.829 -13.931 397 2HD2 ASN 78 2HD2 ASN 78 1.087 -9.794 -12.543 398 H VAL 79 H VAL 79 -1.394 -6.599 -16.729 399 HA VAL 79 HA VAL 79 -2.731 -4.005 -16.067 400 HB VAL 79 HB VAL 79 -1.537 -4.707 -18.760 401 1HG1 VAL 79 1HG1 VAL 79 -3.427 -2.931 -18.319 402 2HG1 VAL 79 2HG1 VAL 79 -2.064 -2.515 -19.358 403 3HG1 VAL 79 3HG1 VAL 79 -2.098 -1.962 -17.684 404 1HG2 VAL 79 1HG2 VAL 79 0.181 -4.546 -16.889 405 2HG2 VAL 79 2HG2 VAL 79 -0.353 -2.883 -16.643 406 3HG2 VAL 79 3HG2 VAL 79 0.379 -3.357 -18.176 407 H THR 80 H THR 80 -4.771 -4.936 -15.775 408 HA THR 80 HA THR 80 -5.893 -6.785 -17.740 409 HB THR 80 HB THR 80 -7.308 -5.276 -15.525 410 HG1 THR 80 HG1 THR 80 -6.890 -7.143 -14.315 411 1HG2 THR 80 1HG2 THR 80 -9.021 -6.908 -15.742 412 2HG2 THR 80 2HG2 THR 80 -8.013 -7.943 -16.752 413 3HG2 THR 80 3HG2 THR 80 -8.637 -6.424 -17.393 414 H LEU 81 H LEU 81 -6.235 -5.871 -19.735 415 HA LEU 81 HA LEU 81 -7.358 -3.148 -19.948 416 1HB LEU 81 2HB LEU 81 -6.297 -5.191 -21.908 417 2HB LEU 81 1HB LEU 81 -7.207 -3.795 -22.468 418 HG LEU 81 HG LEU 81 -4.786 -3.345 -22.527 419 1HD1 LEU 81 1HD1 LEU 81 -6.723 -1.689 -21.534 420 2HD1 LEU 81 2HD1 LEU 81 -5.062 -1.193 -21.851 421 3HD1 LEU 81 3HD1 LEU 81 -5.545 -1.661 -20.222 422 1HD2 LEU 81 1HD2 LEU 81 -3.436 -3.361 -20.533 423 2HD2 LEU 81 2HD2 LEU 81 -4.266 -4.915 -20.607 424 3HD2 LEU 81 3HD2 LEU 81 -4.844 -3.659 -19.515 425 HA PRO 82 HA PRO 82 -11.471 -4.937 -20.340 426 1HB PRO 82 2HB PRO 82 -12.804 -2.622 -20.893 427 2HB PRO 82 1HB PRO 82 -12.232 -3.048 -19.274 428 1HG PRO 82 2HG PRO 82 -11.194 -1.031 -21.159 429 2HG PRO 82 1HG PRO 82 -11.060 -1.105 -19.397 430 1HD PRO 82 2HD PRO 82 -9.050 -1.792 -21.287 431 2HD PRO 82 1HD PRO 82 -8.999 -2.050 -19.531 432 H GLU 83 H GLU 83 -13.407 -4.522 -22.031 433 HA GLU 83 HA GLU 83 -12.513 -5.415 -24.575 434 1HB GLU 83 2HB GLU 83 -15.065 -4.651 -23.334 435 2HB GLU 83 1HB GLU 83 -15.011 -4.327 -25.065 436 1HG GLU 83 2HG GLU 83 -14.319 -6.646 -25.495 437 2HG GLU 83 1HG GLU 83 -14.333 -6.979 -23.763 438 H ALA 84 H ALA 84 -13.633 -4.001 -26.566 439 HA ALA 84 HA ALA 84 -13.346 -1.173 -26.498 440 1HB ALA 84 1HB ALA 84 -11.172 -1.297 -28.035 441 2HB ALA 84 2HB ALA 84 -10.879 -2.759 -27.091 442 3HB ALA 84 3HB ALA 84 -11.040 -1.202 -26.279 443 H GLU 85 H GLU 85 -13.894 -0.264 -28.535 444 HA GLU 85 HA GLU 85 -13.843 -1.672 -31.013 445 1HB GLU 85 2HB GLU 85 -15.676 -2.880 -29.522 446 2HB GLU 85 1HB GLU 85 -16.667 -1.510 -30.022 447 1HG GLU 85 2HG GLU 85 -15.757 -2.089 -32.420 448 2HG GLU 85 1HG GLU 85 -15.442 -3.672 -31.708 449 H GLU 86 H GLU 86 -13.121 0.869 -30.436 450 HA GLU 86 HA GLU 86 -14.613 2.448 -32.277 451 1HB GLU 86 2HB GLU 86 -15.543 4.126 -30.658 452 2HB GLU 86 1HB GLU 86 -16.331 2.550 -30.555 453 1HG GLU 86 2HG GLU 86 -14.634 2.004 -28.705 454 2HG GLU 86 1HG GLU 86 -14.274 3.730 -28.683 455 H LEU 87 H LEU 87 -11.882 1.826 -31.739 456 HA LEU 87 HA LEU 87 -10.754 4.370 -30.689 457 1HB LEU 87 2HB LEU 87 -9.959 1.698 -30.427 458 2HB LEU 87 1HB LEU 87 -8.809 2.374 -31.578 459 HG LEU 87 HG LEU 87 -7.993 2.650 -29.272 460 1HD1 LEU 87 1HD1 LEU 87 -7.331 4.374 -30.830 461 2HD1 LEU 87 2HD1 LEU 87 -7.731 5.158 -29.301 462 3HD1 LEU 87 3HD1 LEU 87 -8.876 5.205 -30.643 463 1HD2 LEU 87 1HD2 LEU 87 -10.564 2.915 -28.528 464 2HD2 LEU 87 2HD2 LEU 87 -10.138 4.623 -28.635 465 3HD2 LEU 87 3HD2 LEU 87 -9.237 3.555 -27.559 466 H LYS 88 HN LYS 88 -10.782 5.886 -32.305 467 HA LYS 88 HA LYS 88 -9.757 5.060 -34.992 468 1HB LYS 88 2HB LYS 88 -11.749 7.156 -34.135 469 2HB LYS 88 1HB LYS 88 -10.925 7.272 -35.690 470 1HG LYS 88 2HG LYS 88 -12.719 6.012 -36.373 471 2HG LYS 88 1HG LYS 88 -11.689 4.695 -35.812 472 1HD LYS 88 2HD LYS 88 -12.931 4.351 -33.898 473 2HD LYS 88 1HD LYS 88 -13.439 6.037 -33.798 474 1HE LYS 88 2HE LYS 88 -14.653 5.373 -36.105 475 2HE LYS 88 1HE LYS 88 -14.635 3.785 -35.336 476 1HZ LYS 88 1HZ LYS 88 -15.752 6.291 -34.202 477 2HZ LYS 88 2HZ LYS 88 -15.634 4.822 -33.358 478 3HZ LYS 88 3HZ LYS 88 -16.629 4.938 -34.729 479 1H ARG 31 1H ARG 31 3.392 -12.236 -32.919 480 2H ARG 31 2H ARG 31 4.843 -11.607 -33.541 481 3H ARG 31 3H ARG 31 3.378 -11.337 -34.357 482 HA ARG 31 HA ARG 31 4.186 -10.241 -31.720 483 1HB ARG 31 2HB ARG 31 4.871 -9.307 -34.147 484 2HB ARG 31 1HB ARG 31 3.274 -8.572 -34.015 485 1HG ARG 31 2HG ARG 31 3.892 -7.205 -32.280 486 2HG ARG 31 1HG ARG 31 5.022 -8.385 -31.616 487 1HD ARG 31 2HD ARG 31 6.566 -6.915 -32.472 488 2HD ARG 31 1HD ARG 31 6.280 -7.855 -33.937 489 HE ARG 31 HE ARG 31 4.437 -5.616 -33.652 490 1HH1 ARG 31 1HH2 ARG 31 7.600 -6.609 -34.768 491 2HH1 ARG 31 2HH2 ARG 31 7.717 -5.309 -35.902 492 1HH2 ARG 31 1HH1 ARG 31 4.632 -3.951 -35.133 493 2HH2 ARG 31 2HH1 ARG 31 6.057 -3.820 -36.109 494 H SER 32 H SER 32 2.204 -11.482 -30.962 495 HA SER 32 HA SER 32 -0.416 -10.900 -31.902 496 1HB SER 32 2HB SER 32 0.189 -11.443 -29.006 497 2HB SER 32 1HB SER 32 -1.202 -11.957 -29.955 498 HG SER 32 HG SER 32 0.006 -13.728 -29.996 499 H ASP 33 H ASP 33 1.783 -9.003 -29.980 500 HA ASP 33 HA ASP 33 -0.341 -7.268 -28.959 501 1HB ASP 33 2HB ASP 33 2.649 -6.852 -28.807 502 2HB ASP 33 1HB ASP 33 1.414 -6.054 -27.833 503 H ALA 34 H ALA 34 0.624 -7.556 -31.974 504 HA ALA 34 HA ALA 34 1.255 -4.744 -32.532 505 1HB ALA 34 1HB ALA 34 2.524 -6.154 -33.913 506 2HB ALA 34 2HB ALA 34 1.182 -5.701 -34.962 507 3HB ALA 34 3HB ALA 34 1.182 -7.271 -34.159 508 H GLU 35 H GLU 35 -1.478 -6.828 -32.367 509 HA GLU 35 HA GLU 35 -3.197 -5.777 -34.330 510 1HB GLU 35 2HB GLU 35 -4.016 -6.669 -31.553 511 2HB GLU 35 1HB GLU 35 -5.023 -6.645 -32.996 512 1HG GLU 35 2HG GLU 35 -2.530 -8.144 -33.388 513 2HG GLU 35 1HG GLU 35 -3.531 -8.810 -32.100 514 HA PRO 36 HA PRO 36 -4.525 -2.325 -31.281 515 1HB PRO 36 2HB PRO 36 -3.073 -1.938 -29.000 516 2HB PRO 36 1HB PRO 36 -4.434 -3.064 -29.109 517 1HG PRO 36 2HG PRO 36 -1.562 -3.626 -28.890 518 2HG PRO 36 1HG PRO 36 -2.945 -4.666 -28.526 519 1HD PRO 36 2HD PRO 36 -1.285 -4.706 -30.865 520 2HD PRO 36 1HD PRO 36 -2.682 -5.729 -30.512 521 H HIS 37 H HIS 37 -0.975 -2.720 -31.127 522 HA HIS 37 HA HIS 37 0.738 -1.362 -31.951 523 1HB HIS 37 2HB HIS 37 -1.052 -0.840 -33.781 524 2HB HIS 37 1HB HIS 37 -1.243 0.686 -32.916 525 HD1 HIS 37 HD1 HIS 37 0.132 2.429 -34.040 526 HD2 HIS 37 HD2 HIS 37 2.086 -1.253 -33.993 527 HE1 HIS 37 HE1 HIS 37 2.399 2.808 -35.101 528 H TYR 38 H TYR 38 -1.365 -0.569 -29.512 529 HA TYR 38 HA TYR 38 0.251 1.833 -28.784 530 1HB TYR 38 2HB TYR 38 -1.754 2.447 -27.328 531 2HB TYR 38 1HB TYR 38 -1.999 2.600 -29.066 532 HD1 TYR 38 HD1 TYR 38 -2.713 0.513 -26.087 533 HD2 TYR 38 HD2 TYR 38 -3.535 1.176 -30.250 534 HE1 TYR 38 HE1 TYR 38 -4.636 -1.048 -25.958 535 HE2 TYR 38 HE2 TYR 38 -5.455 -0.387 -30.121 536 HH TYR 38 HH TYR 38 -6.958 -1.316 -28.475 537 H LEU 39 H LEU 39 -1.258 -1.164 -27.691 538 HA LEU 39 HA LEU 39 -0.666 -1.126 -24.955 539 1HB LEU 39 2HB LEU 39 -1.495 -3.037 -26.867 540 2HB LEU 39 1HB LEU 39 -0.098 -3.744 -26.064 541 HG LEU 39 HG LEU 39 -2.133 -4.344 -24.843 542 1HD1 LEU 39 1HD1 LEU 39 -1.015 -2.214 -23.073 543 2HD1 LEU 39 2HD1 LEU 39 0.102 -3.440 -23.674 544 3HD1 LEU 39 3HD1 LEU 39 -1.309 -3.920 -22.731 545 1HD2 LEU 39 1HD2 LEU 39 -3.185 -2.161 -23.659 546 2HD2 LEU 39 2HD2 LEU 39 -3.787 -2.791 -25.192 547 3HD2 LEU 39 3HD2 LEU 39 -2.662 -1.434 -25.178 548 HA PRO 40 HA PRO 40 3.754 -2.830 -25.892 549 1HB PRO 40 2HB PRO 40 4.669 -2.671 -28.467 550 2HB PRO 40 1HB PRO 40 3.842 -4.087 -27.801 551 1HG PRO 40 2HG PRO 40 2.827 -2.010 -29.658 552 2HG PRO 40 1HG PRO 40 2.386 -3.716 -29.517 553 1HD PRO 40 2HD PRO 40 0.887 -1.573 -28.551 554 2HD PRO 40 1HD PRO 40 0.697 -3.266 -28.046 555 H GLN 41 H GLN 41 2.495 0.029 -27.412 556 HA GLN 41 HA GLN 41 5.001 1.494 -27.543 557 1HB GLN 41 2HB GLN 41 3.042 2.131 -28.921 558 2HB GLN 41 1HB GLN 41 2.124 2.475 -27.456 559 1HG GLN 41 2HG GLN 41 3.001 4.563 -28.365 560 2HG GLN 41 1HG GLN 41 3.818 4.202 -26.844 561 1HE2 GLN 41 1HE2 GLN 41 5.885 5.113 -27.252 562 2HE2 GLN 41 2HE2 GLN 41 6.887 4.628 -28.533 563 H LEU 42 H LEU 42 2.421 1.014 -25.196 564 HA LEU 42 HA LEU 42 3.351 3.008 -23.344 565 1HB LEU 42 2HB LEU 42 1.559 0.600 -22.944 566 2HB LEU 42 1HB LEU 42 1.837 1.829 -21.740 567 HG LEU 42 HG LEU 42 0.217 3.128 -22.602 568 1HD1 LEU 42 1HD1 LEU 42 1.240 2.775 -25.429 569 2HD1 LEU 42 2HD1 LEU 42 1.901 3.959 -24.302 570 3HD1 LEU 42 3HD1 LEU 42 0.216 4.066 -24.808 571 1HD2 LEU 42 1HD2 LEU 42 -0.078 0.656 -24.259 572 2HD2 LEU 42 2HD2 LEU 42 -1.096 2.050 -24.620 573 3HD2 LEU 42 3HD2 LEU 42 -1.148 1.310 -23.020 574 H ARG 43 H ARG 43 3.482 -0.584 -23.266 575 HA ARG 43 HA ARG 43 5.039 -0.916 -20.983 576 1HB ARG 43 2HB ARG 43 5.717 -3.055 -21.862 577 2HB ARG 43 1HB ARG 43 4.069 -2.755 -22.372 578 1HG ARG 43 2HG ARG 43 4.918 -1.966 -24.566 579 2HG ARG 43 1HG ARG 43 6.553 -2.384 -24.058 580 1HD ARG 43 2HD ARG 43 5.756 -4.737 -23.667 581 2HD ARG 43 1HD ARG 43 4.212 -4.279 -24.386 582 HE ARG 43 HE ARG 43 6.466 -3.634 -26.106 583 1HH1 ARG 43 1HH2 ARG 43 4.285 -6.174 -25.093 584 2HH1 ARG 43 2HH2 ARG 43 4.476 -7.062 -26.564 585 1HH2 ARG 43 2HH1 ARG 43 6.684 -4.815 -27.992 586 2HH2 ARG 43 1HH1 ARG 43 5.819 -6.303 -28.190 587 H LYS 44 H LYS 44 6.272 -0.246 -24.288 588 HA LYS 44 HA LYS 44 9.004 -0.308 -23.478 589 1HB LYS 44 2HB LYS 44 9.491 0.775 -25.604 590 2HB LYS 44 1HB LYS 44 8.278 -0.471 -25.857 591 1HG LYS 44 2HG LYS 44 6.516 1.202 -25.859 592 2HG LYS 44 1HG LYS 44 7.671 2.475 -25.486 593 1HD LYS 44 2HD LYS 44 7.293 2.576 -27.853 594 2HD LYS 44 1HD LYS 44 8.880 1.841 -27.630 595 1HE LYS 44 2HE LYS 44 7.273 -0.370 -27.573 596 2HE LYS 44 1HE LYS 44 6.393 0.660 -28.701 597 1HZ LYS 44 1HZ LYS 44 8.406 0.939 -29.986 598 2HZ LYS 44 2HZ LYS 44 8.040 -0.712 -29.826 599 3HZ LYS 44 3HZ LYS 44 9.277 -0.018 -28.890 600 H ASP 45 H ASP 45 6.481 2.150 -23.325 601 HA ASP 45 HA ASP 45 8.182 4.400 -22.888 602 1HB ASP 45 2HB ASP 45 5.363 3.871 -21.917 603 2HB ASP 45 1HB ASP 45 6.188 5.410 -21.780 604 H ILE 46 H ILE 46 6.608 2.147 -20.553 605 HA ILE 46 HA ILE 46 7.649 3.359 -18.204 606 HB ILE 46 HB ILE 46 5.923 1.409 -18.474 607 1HG1 ILE 46 2HG1 ILE 46 6.433 0.743 -16.108 608 2HG1 ILE 46 1HG1 ILE 46 7.937 1.650 -16.237 609 1HG2 ILE 46 1HG2 ILE 46 8.092 -0.403 -17.589 610 2HG2 ILE 46 2HG2 ILE 46 8.024 -0.070 -19.317 611 3HG2 ILE 46 3HG2 ILE 46 6.626 -0.759 -18.500 612 1HD1 ILE 46 1HD1 ILE 46 5.865 3.343 -17.195 613 2HD1 ILE 46 2HD1 ILE 46 6.814 3.523 -15.720 614 3HD1 ILE 46 3HD1 ILE 46 5.299 2.625 -15.688 615 H LEU 47 H LEU 47 9.159 1.106 -20.483 616 HA LEU 47 HA LEU 47 11.477 0.477 -18.944 617 1HB LEU 47 2HB LEU 47 10.910 0.627 -21.900 618 2HB LEU 47 1HB LEU 47 12.535 0.291 -21.319 619 HG LEU 47 HG LEU 47 10.137 -1.275 -20.362 620 1HD1 LEU 47 1HD1 LEU 47 10.764 -1.264 -22.964 621 2HD1 LEU 47 2HD1 LEU 47 10.293 -2.745 -22.131 622 3HD1 LEU 47 3HD1 LEU 47 11.999 -2.395 -22.410 623 1HD2 LEU 47 1HD2 LEU 47 12.036 -1.549 -18.938 624 2HD2 LEU 47 2HD2 LEU 47 13.141 -1.638 -20.310 625 3HD2 LEU 47 3HD2 LEU 47 12.027 -2.966 -19.987 626 H GLU 48 H GLU 48 10.870 3.085 -21.294 627 HA GLU 48 HA GLU 48 13.414 4.380 -20.889 628 1HB GLU 48 2HB GLU 48 10.910 5.819 -21.769 629 2HB GLU 48 1HB GLU 48 12.580 6.171 -22.204 630 1HG GLU 48 2HG GLU 48 10.993 3.743 -23.074 631 2HG GLU 48 1HG GLU 48 11.407 5.124 -24.069 632 H VAL 49 H VAL 49 10.194 4.658 -19.496 633 HA VAL 49 HA VAL 49 10.608 7.016 -17.982 634 HB VAL 49 HB VAL 49 8.892 4.613 -17.268 635 1HG1 VAL 49 1HG1 VAL 49 7.686 6.080 -15.807 636 2HG1 VAL 49 2HG1 VAL 49 8.540 7.498 -16.417 637 3HG1 VAL 49 3HG1 VAL 49 9.394 6.310 -15.432 638 1HG2 VAL 49 1HG2 VAL 49 7.602 7.027 -18.349 639 2HG2 VAL 49 2HG2 VAL 49 7.367 5.336 -18.789 640 3HG2 VAL 49 3HG2 VAL 49 8.695 6.255 -19.496 641 H ILE 50 H ILE 50 10.889 3.592 -16.915 642 HA ILE 50 HA ILE 50 12.056 4.102 -14.379 643 HB ILE 50 HB ILE 50 12.650 1.775 -16.238 644 1HG1 ILE 50 2HG1 ILE 50 10.697 1.637 -13.978 645 2HG1 ILE 50 1HG1 ILE 50 10.181 2.441 -15.460 646 1HG2 ILE 50 1HG2 ILE 50 14.174 2.119 -14.237 647 2HG2 ILE 50 2HG2 ILE 50 13.309 0.583 -14.257 648 3HG2 ILE 50 3HG2 ILE 50 12.755 1.892 -13.214 649 1HD1 ILE 50 1HD1 ILE 50 11.431 -0.315 -15.422 650 2HD1 ILE 50 2HD1 ILE 50 10.625 0.478 -16.776 651 3HD1 ILE 50 3HD1 ILE 50 9.689 -0.044 -15.375 652 H CYS 51 H CYS 51 13.397 4.312 -17.595 653 HA CYS 51 HA CYS 51 16.171 4.312 -16.792 654 1HB CYS 51 2HB CYS 51 15.163 3.875 -19.149 655 2HB CYS 51 1HB CYS 51 15.098 5.633 -19.283 656 HG CYS 51 HG CYS 51 17.769 4.056 -18.837 657 H LYS 52 H LYS 52 13.813 6.859 -17.604 658 HA LYS 52 HA LYS 52 15.494 9.111 -17.289 659 1HB LYS 52 2HB LYS 52 12.565 8.908 -16.537 660 2HB LYS 52 1HB LYS 52 13.451 10.398 -16.846 661 1HG LYS 52 2HG LYS 52 13.637 9.961 -19.143 662 2HG LYS 52 1HG LYS 52 13.340 8.234 -18.935 663 1HD LYS 52 2HD LYS 52 11.229 8.809 -19.623 664 2HD LYS 52 1HD LYS 52 11.030 9.213 -17.918 665 1HE LYS 52 2HE LYS 52 10.297 11.165 -18.997 666 2HE LYS 52 1HE LYS 52 11.974 11.545 -18.606 667 1HZ LYS 52 1HZ LYS 52 11.750 12.125 -20.833 668 2HZ LYS 52 2HZ LYS 52 10.824 10.751 -21.209 669 3HZ LYS 52 3HZ LYS 52 12.488 10.599 -20.896 670 H TYR 53 H TYR 53 13.867 7.148 -14.866 671 HA TYR 53 HA TYR 53 14.820 8.953 -12.713 672 1HB TYR 53 2HB TYR 53 12.896 6.608 -12.677 673 2HB TYR 53 1HB TYR 53 13.308 7.596 -11.287 674 HD1 TYR 53 HD1 TYR 53 11.881 9.370 -10.756 675 HD2 TYR 53 HD2 TYR 53 12.115 8.031 -14.822 676 HE1 TYR 53 HE1 TYR 53 10.093 10.965 -11.397 677 HE2 TYR 53 HE2 TYR 53 10.341 9.619 -15.464 678 HH TYR 53 HH TYR 53 8.399 10.783 -14.245 679 H VAL 54 H VAL 54 15.572 5.932 -14.238 680 HA VAL 54 HA VAL 54 17.715 5.454 -12.268 681 HB VAL 54 HB VAL 54 15.954 3.085 -12.893 682 1HG1 VAL 54 1HG1 VAL 54 18.321 3.193 -11.710 683 2HG1 VAL 54 2HG1 VAL 54 17.073 2.095 -11.118 684 3HG1 VAL 54 3HG1 VAL 54 17.356 3.632 -10.301 685 1HG2 VAL 54 1HG2 VAL 54 14.434 4.821 -11.930 686 2HG2 VAL 54 2HG2 VAL 54 15.518 4.969 -10.547 687 3HG2 VAL 54 3HG2 VAL 54 14.664 3.454 -10.839 688 H GLN 55 H GLN 55 17.750 2.554 -13.619 689 HA GLN 55 HA GLN 55 18.200 3.084 -16.415 690 1HB GLN 55 2HB GLN 55 20.395 3.548 -14.551 691 2HB GLN 55 1HB GLN 55 20.804 2.321 -15.750 692 1HG GLN 55 2HG GLN 55 20.690 3.796 -17.505 693 2HG GLN 55 1HG GLN 55 19.429 4.768 -16.745 694 1HE2 GLN 55 1HE2 GLN 55 22.886 4.414 -17.139 695 2HE2 GLN 55 2HE2 GLN 55 23.329 5.760 -16.207 696 H ILE 56 H ILE 56 17.427 1.199 -17.139 697 HA ILE 56 HA ILE 56 18.612 -1.332 -16.113 698 HB ILE 56 HB ILE 56 16.223 -2.314 -16.376 699 1HG1 ILE 56 2HG1 ILE 56 15.173 0.310 -15.483 700 2HG1 ILE 56 1HG1 ILE 56 15.606 0.226 -17.190 701 1HG2 ILE 56 1HG2 ILE 56 17.684 -1.475 -14.221 702 2HG2 ILE 56 2HG2 ILE 56 16.144 -2.326 -14.112 703 3HG2 ILE 56 3HG2 ILE 56 16.188 -0.567 -14.000 704 1HD1 ILE 56 1HD1 ILE 56 14.301 -2.131 -16.942 705 2HD1 ILE 56 2HD1 ILE 56 13.487 -0.630 -17.382 706 3HD1 ILE 56 3HD1 ILE 56 13.454 -1.194 -15.711 707 H ASP 57 H ASP 57 17.998 -3.176 -17.654 708 HA ASP 57 HA ASP 57 18.093 -2.135 -20.447 709 1HB ASP 57 2HB ASP 57 19.132 -4.609 -19.097 710 2HB ASP 57 1HB ASP 57 18.781 -4.657 -20.825 711 HA PRO 58 HA PRO 58 14.134 -3.927 -21.308 712 1HB PRO 58 2HB PRO 58 14.448 -4.864 -23.860 713 2HB PRO 58 1HB PRO 58 14.306 -3.143 -23.466 714 1HG PRO 58 2HG PRO 58 16.714 -4.721 -24.201 715 2HG PRO 58 1HG PRO 58 16.334 -3.022 -24.523 716 1HD PRO 58 2HD PRO 58 18.065 -3.920 -22.530 717 2HD PRO 58 1HD PRO 58 17.294 -2.320 -22.564 718 H GLU 59 H GLU 59 16.954 -5.947 -21.885 719 HA GLU 59 HA GLU 59 15.552 -8.467 -22.003 720 1HB GLU 59 2HB GLU 59 18.403 -7.671 -21.406 721 2HB GLU 59 1HB GLU 59 17.877 -9.349 -21.272 722 1HG GLU 59 2HG GLU 59 16.904 -9.002 -23.657 723 2HG GLU 59 1HG GLU 59 17.967 -7.597 -23.721 724 H MET 60 H MET 60 16.142 -6.249 -19.434 725 HA MET 60 HA MET 60 16.071 -8.312 -17.330 726 1HB MET 60 2HB MET 60 16.308 -5.298 -17.355 727 2HB MET 60 1HB MET 60 16.029 -6.188 -15.863 728 1HG MET 60 2HG MET 60 18.183 -7.353 -17.482 729 2HG MET 60 1HG MET 60 18.512 -5.688 -17.012 730 1HE MET 60 1HE MET 60 17.662 -4.858 -14.825 731 2HE MET 60 2HE MET 60 19.354 -5.068 -14.380 732 3HE MET 60 3HE MET 60 18.088 -5.602 -13.278 733 H VAL 61 H VAL 61 13.921 -6.118 -19.003 734 HA VAL 61 HA VAL 61 11.779 -6.558 -16.998 735 HB VAL 61 HB VAL 61 11.720 -4.883 -19.525 736 1HG1 VAL 61 1HG1 VAL 61 10.014 -4.663 -17.036 737 2HG1 VAL 61 2HG1 VAL 61 9.539 -5.639 -18.427 738 3HG1 VAL 61 3HG1 VAL 61 9.748 -3.897 -18.603 739 1HG2 VAL 61 1HG2 VAL 61 12.701 -4.335 -16.746 740 2HG2 VAL 61 2HG2 VAL 61 11.880 -3.041 -17.619 741 3HG2 VAL 61 3HG2 VAL 61 13.341 -3.769 -18.289 742 H THR 62 H THR 62 10.352 -8.202 -17.319 743 HA THR 62 HA THR 62 10.277 -9.535 -19.941 744 HB THR 62 HB THR 62 8.719 -10.418 -17.523 745 HG1 THR 62 HG1 THR 62 10.525 -11.388 -16.739 746 1HG2 THR 62 1HG2 THR 62 9.974 -11.756 -19.924 747 2HG2 THR 62 2HG2 THR 62 8.265 -11.673 -19.502 748 3HG2 THR 62 3HG2 THR 62 9.362 -12.663 -18.541 749 H VAL 63 H VAL 63 8.166 -10.077 -20.903 750 HA VAL 63 HA VAL 63 5.909 -8.339 -20.057 751 HB VAL 63 HB VAL 63 6.910 -8.522 -22.910 752 1HG1 VAL 63 1HG1 VAL 63 5.266 -6.669 -23.252 753 2HG1 VAL 63 2HG1 VAL 63 4.731 -6.880 -21.584 754 3HG1 VAL 63 3HG1 VAL 63 4.497 -8.177 -22.755 755 1HG2 VAL 63 1HG2 VAL 63 7.269 -5.969 -22.378 756 2HG2 VAL 63 2HG2 VAL 63 8.498 -7.142 -21.902 757 3HG2 VAL 63 3HG2 VAL 63 7.352 -6.530 -20.708 758 H GLN 64 H GLN 64 4.050 -9.514 -20.065 759 HA GLN 64 HA GLN 64 3.780 -11.781 -21.952 760 1HB GLN 64 2HB GLN 64 2.972 -13.232 -20.055 761 2HB GLN 64 1HB GLN 64 4.688 -12.839 -19.972 762 1HG GLN 64 2HG GLN 64 2.982 -10.858 -18.623 763 2HG GLN 64 1HG GLN 64 2.869 -12.468 -17.918 764 1HE2 GLN 64 1HE2 GLN 64 4.667 -13.237 -16.710 765 2HE2 GLN 64 2HE2 GLN 64 6.097 -12.349 -16.494 766 H LEU 65 H LEU 65 1.695 -11.967 -22.714 767 HA LEU 65 HA LEU 65 -0.320 -10.170 -21.481 768 1HB LEU 65 2HB LEU 65 -1.439 -10.327 -23.703 769 2HB LEU 65 1HB LEU 65 0.160 -9.600 -23.781 770 HG LEU 65 HG LEU 65 0.136 -12.541 -24.071 771 1HD1 LEU 65 1HD1 LEU 65 -1.309 -10.725 -25.999 772 2HD1 LEU 65 2HD1 LEU 65 -1.834 -12.278 -25.347 773 3HD1 LEU 65 3HD1 LEU 65 -0.545 -12.216 -26.550 774 1HD2 LEU 65 1HD2 LEU 65 1.450 -11.538 -26.213 775 2HD2 LEU 65 2HD2 LEU 65 2.198 -11.693 -24.624 776 3HD2 LEU 65 3HD2 LEU 65 1.536 -10.142 -25.139 777 H GLU 66 H GLU 66 -2.402 -10.936 -21.072 778 HA GLU 66 HA GLU 66 -2.922 -13.831 -21.487 779 1HB GLU 66 2HB GLU 66 -3.008 -12.335 -18.863 780 2HB GLU 66 1HB GLU 66 -3.923 -13.819 -19.107 781 1HG GLU 66 2HG GLU 66 -0.923 -13.493 -19.391 782 2HG GLU 66 1HG GLU 66 -1.750 -14.286 -18.055 783 H GLN 67 H GLN 67 -5.362 -14.217 -20.783 784 HA GLN 67 HA GLN 67 -7.039 -11.828 -21.318 785 1HB GLN 67 2HB GLN 67 -6.706 -14.178 -23.144 786 2HB GLN 67 1HB GLN 67 -8.317 -13.478 -22.979 787 1HG GLN 67 2HG GLN 67 -7.600 -11.358 -23.762 788 2HG GLN 67 1HG GLN 67 -5.898 -11.759 -23.532 789 1HE2 GLN 67 1HE2 GLN 67 -4.805 -12.768 -25.268 790 2HE2 GLN 67 2HE2 GLN 67 -5.564 -13.254 -26.707 791 H LYS 68 H LYS 68 -9.313 -12.217 -20.782 792 HA LYS 68 HA LYS 68 -9.639 -14.501 -18.885 793 1HB LYS 68 2HB LYS 68 -10.752 -11.714 -18.927 794 2HB LYS 68 1HB LYS 68 -11.599 -12.989 -18.057 795 1HG LYS 68 2HG LYS 68 -10.065 -13.031 -16.390 796 2HG LYS 68 1HG LYS 68 -8.710 -12.948 -17.515 797 1HD LYS 68 2HD LYS 68 -8.735 -10.935 -16.134 798 2HD LYS 68 1HD LYS 68 -9.137 -10.505 -17.796 799 1HE LYS 68 2HE LYS 68 -10.745 -9.358 -16.488 800 2HE LYS 68 1HE LYS 68 -11.599 -10.784 -17.077 801 1HZ LYS 68 1HZ LYS 68 -12.060 -10.695 -14.805 802 2HZ LYS 68 2HZ LYS 68 -10.460 -10.306 -14.391 803 3HZ LYS 68 3HZ LYS 68 -10.844 -11.870 -14.932 804 H ASP 69 H ASP 69 -12.113 -15.073 -18.684 805 HA ASP 69 HA ASP 69 -12.993 -15.865 -21.339 806 1HB ASP 69 2HB ASP 69 -14.357 -16.229 -18.660 807 2HB ASP 69 1HB ASP 69 -14.766 -17.068 -20.157 808 H GLY 70 H GLY 70 -13.476 -13.063 -19.482 809 1HA GLY 70 2HA GLY 70 -16.197 -12.584 -20.565 810 2HA GLY 70 1HA GLY 70 -15.387 -11.594 -19.352 811 H ASP 71 H ASP 71 -13.820 -12.639 -22.321 812 HA ASP 71 HA ASP 71 -12.940 -11.414 -24.110 813 1HB ASP 71 2HB ASP 71 -15.490 -9.924 -23.508 814 2HB ASP 71 1HB ASP 71 -14.378 -9.338 -24.744 815 H ILE 72 H ILE 72 -11.623 -11.014 -21.789 816 HA ILE 72 HA ILE 72 -11.013 -8.089 -21.839 817 HB ILE 72 HB ILE 72 -10.783 -9.854 -19.396 818 1HG1 ILE 72 2HG1 ILE 72 -13.078 -8.100 -20.318 819 2HG1 ILE 72 1HG1 ILE 72 -13.130 -9.824 -19.998 820 1HG2 ILE 72 1HG2 ILE 72 -10.762 -7.621 -18.264 821 2HG2 ILE 72 2HG2 ILE 72 -10.763 -6.862 -19.855 822 3HG2 ILE 72 3HG2 ILE 72 -9.398 -7.861 -19.357 823 1HD1 ILE 72 1HD1 ILE 72 -12.147 -8.539 -17.640 824 2HD1 ILE 72 2HD1 ILE 72 -13.659 -9.422 -17.852 825 3HD1 ILE 72 3HD1 ILE 72 -13.601 -7.687 -18.161 826 H SER 73 H SER 73 -8.730 -7.624 -21.214 827 HA SER 73 HA SER 73 -6.924 -9.911 -21.915 828 1HB SER 73 2HB SER 73 -6.828 -6.987 -22.640 829 2HB SER 73 1HB SER 73 -5.361 -7.962 -22.641 830 HG SER 73 HG SER 73 -7.760 -8.453 -24.084 831 H ILE 74 H ILE 74 -4.710 -9.660 -20.977 832 HA ILE 74 HA ILE 74 -4.555 -8.052 -18.497 833 HB ILE 74 HB ILE 74 -4.365 -11.077 -18.593 834 1HG1 ILE 74 2HG1 ILE 74 -6.231 -9.196 -17.123 835 2HG1 ILE 74 1HG1 ILE 74 -6.656 -10.223 -18.485 836 1HG2 ILE 74 1HG2 ILE 74 -3.909 -9.265 -16.207 837 2HG2 ILE 74 2HG2 ILE 74 -2.607 -9.999 -17.141 838 3HG2 ILE 74 3HG2 ILE 74 -3.739 -11.019 -16.254 839 1HD1 ILE 74 1HD1 ILE 74 -5.407 -11.813 -16.415 840 2HD1 ILE 74 2HD1 ILE 74 -7.009 -11.981 -17.132 841 3HD1 ILE 74 3HD1 ILE 74 -6.770 -10.909 -15.753 842 H LEU 75 H LEU 75 -2.843 -6.954 -19.639 843 HA LEU 75 HA LEU 75 -0.535 -8.518 -20.543 844 1HB LEU 75 2HB LEU 75 -1.446 -6.478 -21.759 845 2HB LEU 75 1HB LEU 75 -0.773 -5.514 -20.449 846 HG LEU 75 HG LEU 75 1.119 -7.489 -21.547 847 1HD1 LEU 75 1HD1 LEU 75 1.419 -5.569 -23.470 848 2HD1 LEU 75 2HD1 LEU 75 -0.339 -5.637 -23.335 849 3HD1 LEU 75 3HD1 LEU 75 0.572 -7.096 -23.723 850 1HD2 LEU 75 1HD2 LEU 75 2.341 -5.102 -21.727 851 2HD2 LEU 75 2HD2 LEU 75 2.176 -5.953 -20.192 852 3HD2 LEU 75 3HD2 LEU 75 1.054 -4.657 -20.607 853 H GLU 76 H GLU 76 0.731 -9.259 -18.929 854 HA GLU 76 HA GLU 76 1.345 -7.454 -16.635 855 1HB GLU 76 2HB GLU 76 2.021 -10.395 -16.928 856 2HB GLU 76 1HB GLU 76 2.063 -9.433 -15.454 857 1HG GLU 76 2HG GLU 76 -0.028 -10.245 -15.093 858 2HG GLU 76 1HG GLU 76 -0.534 -9.060 -16.297 859 H LEU 77 H LEU 77 3.537 -6.954 -16.166 860 HA LEU 77 HA LEU 77 5.580 -7.964 -18.080 861 1HB LEU 77 2HB LEU 77 6.505 -5.608 -18.230 862 2HB LEU 77 1HB LEU 77 4.971 -5.856 -19.060 863 HG LEU 77 HG LEU 77 4.939 -4.935 -16.206 864 1HD1 LEU 77 1HD1 LEU 77 4.794 -2.573 -17.461 865 2HD1 LEU 77 2HD1 LEU 77 5.882 -3.397 -18.578 866 3HD1 LEU 77 3HD1 LEU 77 6.326 -3.227 -16.880 867 1HD2 LEU 77 1HD2 LEU 77 3.181 -4.827 -18.637 868 2HD2 LEU 77 2HD2 LEU 77 2.986 -3.599 -17.386 869 3HD2 LEU 77 3HD2 LEU 77 2.772 -5.303 -16.989 870 H ASN 78 H ASN 78 7.413 -8.543 -17.017 871 HA ASN 78 HA ASN 78 7.609 -7.976 -14.129 872 1HB ASN 78 2HB ASN 78 9.528 -9.549 -15.856 873 2HB ASN 78 1HB ASN 78 9.322 -9.645 -14.119 874 1HD2 ASN 78 1HD2 ASN 78 6.300 -9.601 -14.346 875 2HD2 ASN 78 2HD2 ASN 78 5.878 -11.144 -14.907 876 H VAL 79 H VAL 79 9.266 -6.715 -13.235 877 HA VAL 79 HA VAL 79 11.071 -5.361 -15.198 878 HB VAL 79 HB VAL 79 9.946 -4.075 -12.698 879 1HG1 VAL 79 1HG1 VAL 79 12.136 -3.346 -13.965 880 2HG1 VAL 79 2HG1 VAL 79 10.967 -2.123 -13.466 881 3HG1 VAL 79 3HG1 VAL 79 11.002 -2.681 -15.139 882 1HG2 VAL 79 1HG2 VAL 79 8.177 -4.684 -14.422 883 2HG2 VAL 79 2HG2 VAL 79 9.031 -3.643 -15.558 884 3HG2 VAL 79 3HG2 VAL 79 8.325 -2.957 -14.095 885 H THR 80 H THR 80 12.842 -6.693 -14.745 886 HA THR 80 HA THR 80 13.682 -7.220 -11.997 887 HB THR 80 HB THR 80 15.227 -7.642 -14.571 888 HG1 THR 80 HG1 THR 80 14.339 -9.723 -14.479 889 1HG2 THR 80 1HG2 THR 80 16.565 -9.153 -13.317 890 2HG2 THR 80 2HG2 THR 80 15.433 -9.154 -11.965 891 3HG2 THR 80 3HG2 THR 80 16.410 -7.723 -12.296 892 H LEU 81 H LEU 81 14.349 -5.408 -10.901 893 HA LEU 81 HA LEU 81 16.035 -3.392 -12.248 894 1HB LEU 81 2HB LEU 81 14.705 -3.613 -9.542 895 2HB LEU 81 1HB LEU 81 15.926 -2.386 -9.848 896 HG LEU 81 HG LEU 81 13.666 -1.488 -10.233 897 1HD1 LEU 81 1HD1 LEU 81 15.836 -1.188 -11.871 898 2HD1 LEU 81 2HD1 LEU 81 14.344 -0.261 -12.023 899 3HD1 LEU 81 3HD1 LEU 81 14.601 -1.686 -13.028 900 1HD2 LEU 81 1HD2 LEU 81 12.207 -2.384 -11.926 901 2HD2 LEU 81 2HD2 LEU 81 12.693 -3.731 -10.895 902 3HD2 LEU 81 3HD2 LEU 81 13.446 -3.514 -12.475 903 HA PRO 82 HA PRO 82 19.692 -5.433 -10.595 904 1HB PRO 82 2HB PRO 82 21.521 -3.581 -11.415 905 2HB PRO 82 1HB PRO 82 20.759 -4.744 -12.511 906 1HG PRO 82 2HG PRO 82 20.307 -1.841 -12.248 907 2HG PRO 82 1HG PRO 82 20.039 -2.905 -13.635 908 1HD PRO 82 2HD PRO 82 18.065 -1.905 -11.847 909 2HD PRO 82 1HD PRO 82 17.838 -3.128 -13.116 910 H GLU 83 H GLU 83 21.786 -4.525 -9.340 911 HA GLU 83 HA GLU 83 20.902 -3.539 -6.826 912 1HB GLU 83 2HB GLU 83 23.465 -4.213 -8.098 913 2HB GLU 83 1HB GLU 83 23.603 -2.930 -6.895 914 1HG GLU 83 2HG GLU 83 22.466 -4.344 -5.236 915 2HG GLU 83 1HG GLU 83 22.288 -5.624 -6.436 916 H ALA 84 H ALA 84 22.433 -1.503 -5.973 917 HA ALA 84 HA ALA 84 22.748 0.727 -7.708 918 1HB ALA 84 1HB ALA 84 20.710 1.994 -6.548 919 2HB ALA 84 2HB ALA 84 20.049 0.359 -6.471 920 3HB ALA 84 3HB ALA 84 20.478 1.065 -8.030 921 H GLU 85 H GLU 85 23.617 2.517 -6.561 922 HA GLU 85 HA GLU 85 23.442 2.883 -3.740 923 1HB GLU 85 2HB GLU 85 24.868 0.675 -4.104 924 2HB GLU 85 1HB GLU 85 26.161 1.829 -4.437 925 1HG GLU 85 2HG GLU 85 25.318 2.978 -2.225 926 2HG GLU 85 1HG GLU 85 24.626 1.390 -1.893 927 H GLU 86 H GLU 86 23.237 4.682 -5.748 928 HA GLU 86 HA GLU 86 25.155 6.681 -5.085 929 1HB GLU 86 2HB GLU 86 26.304 6.844 -7.311 930 2HB GLU 86 1HB GLU 86 26.729 5.385 -6.415 931 1HG GLU 86 2HG GLU 86 24.831 4.232 -7.704 932 2HG GLU 86 1HG GLU 86 24.844 5.645 -8.761 933 H LEU 87 H LEU 87 22.323 6.459 -5.345 934 HA LEU 87 HA LEU 87 21.689 8.069 -7.765 935 1HB LEU 87 2HB LEU 87 20.329 5.995 -6.463 936 2HB LEU 87 1HB LEU 87 19.432 7.442 -6.012 937 HG LEU 87 HG LEU 87 18.534 6.477 -8.090 938 1HD1 LEU 87 1HD1 LEU 87 18.363 8.879 -7.893 939 2HD1 LEU 87 2HD1 LEU 87 18.813 8.509 -9.558 940 3HD1 LEU 87 3HD1 LEU 87 20.031 9.091 -8.424 941 1HD2 LEU 87 1HD2 LEU 87 21.045 5.703 -8.666 942 2HD2 LEU 87 2HD2 LEU 87 20.998 7.190 -9.612 943 3HD2 LEU 87 3HD2 LEU 87 19.819 5.914 -9.916 944 H LYS 88 HN LYS 88 22.150 10.195 -7.350 945 HA LYS 88 HA LYS 88 21.163 11.345 -4.769 946 1HB LYS 88 2HB LYS 88 23.490 12.057 -6.552 947 2HB LYS 88 1HB LYS 88 22.820 13.236 -5.424 948 1HG LYS 88 2HG LYS 88 24.349 12.271 -4.008 949 2HG LYS 88 1HG LYS 88 23.027 11.131 -3.759 950 1HD LYS 88 2HD LYS 88 24.032 9.476 -5.013 951 2HD LYS 88 1HD LYS 88 24.877 10.627 -6.048 952 1HE LYS 88 2HE LYS 88 26.080 11.206 -3.714 953 2HE LYS 88 1HE LYS 88 25.672 9.518 -3.403 954 1HZ LYS 88 1HZ LYS 88 27.214 10.572 -5.710 955 2HZ LYS 88 2HZ LYS 88 26.728 8.953 -5.537 956 3HZ LYS 88 3HZ LYS 88 27.818 9.639 -4.429 Start of MODEL 15 1 1H ARG 31 1H ARG 31 5.257 1.050 3.708 2 2H ARG 31 2H ARG 31 4.642 -0.304 2.888 3 3H ARG 31 3H ARG 31 3.638 1.029 3.205 4 HA ARG 31 HA ARG 31 4.354 0.969 0.881 5 1HB ARG 31 2HB ARG 31 4.075 3.117 2.440 6 2HB ARG 31 1HB ARG 31 5.799 3.286 2.102 7 1HG ARG 31 2HG ARG 31 5.463 3.628 -0.166 8 2HG ARG 31 1HG ARG 31 3.953 2.716 -0.185 9 1HD ARG 31 2HD ARG 31 3.991 5.187 1.471 10 2HD ARG 31 1HD ARG 31 4.016 5.409 -0.279 11 HE ARG 31 HE ARG 31 1.992 3.509 0.338 12 1HH1 ARG 31 1HH2 ARG 31 2.698 6.905 0.784 13 2HH1 ARG 31 2HH2 ARG 31 1.028 7.350 0.817 14 1HH2 ARG 31 1HH1 ARG 31 -0.156 4.131 0.386 15 2HH2 ARG 31 2HH1 ARG 31 -0.572 5.799 0.594 16 H SER 32 H SER 32 5.976 -0.957 1.139 17 HA SER 32 HA SER 32 8.740 -0.507 1.613 18 1HB SER 32 2HB SER 32 7.746 -2.488 -0.421 19 2HB SER 32 1HB SER 32 9.109 -2.635 0.685 20 HG SER 32 HG SER 32 7.786 -3.198 2.250 21 H ASP 33 H ASP 33 6.745 0.304 -1.127 22 HA ASP 33 HA ASP 33 9.022 0.628 -2.928 23 1HB ASP 33 2HB ASP 33 7.302 1.535 -4.501 24 2HB ASP 33 1HB ASP 33 6.929 -0.084 -3.908 25 H ALA 34 H ALA 34 8.312 2.378 -0.334 26 HA ALA 34 HA ALA 34 8.348 5.036 -1.573 27 1HB ALA 34 1HB ALA 34 8.444 5.699 0.947 28 2HB ALA 34 2HB ALA 34 8.055 4.003 1.234 29 3HB ALA 34 3HB ALA 34 6.948 5.017 0.309 30 H GLU 35 H GLU 35 10.615 2.701 -0.569 31 HA GLU 35 HA GLU 35 12.657 4.350 0.544 32 1HB GLU 35 2HB GLU 35 13.049 1.792 -1.030 33 2HB GLU 35 1HB GLU 35 14.154 2.493 0.145 34 1HG GLU 35 2HG GLU 35 11.403 2.033 1.140 35 2HG GLU 35 1HG GLU 35 12.312 0.575 0.751 36 HA PRO 36 HA PRO 36 14.385 4.841 -3.891 37 1HB PRO 36 2HB PRO 36 12.880 4.005 -6.010 38 2HB PRO 36 1HB PRO 36 14.005 2.952 -5.140 39 1HG PRO 36 2HG PRO 36 11.071 2.941 -5.152 40 2HG PRO 36 1HG PRO 36 12.201 1.658 -4.702 41 1HD PRO 36 2HD PRO 36 10.726 3.394 -2.958 42 2HD PRO 36 1HD PRO 36 11.874 2.126 -2.508 43 H HIS 37 H HIS 37 10.824 5.132 -3.983 44 HA HIS 37 HA HIS 37 9.462 7.000 -4.301 45 1HB HIS 37 2HB HIS 37 11.578 8.147 -3.126 46 2HB HIS 37 1HB HIS 37 11.750 8.870 -4.725 47 HD1 HIS 37 HD1 HIS 37 10.638 11.092 -4.752 48 HD2 HIS 37 HD2 HIS 37 8.491 8.346 -2.464 49 HE1 HIS 37 HE1 HIS 37 8.566 12.302 -3.938 50 H TYR 38 H TYR 38 11.473 5.676 -6.553 51 HA TYR 38 HA TYR 38 10.342 7.394 -8.715 52 1HB TYR 38 2HB TYR 38 12.324 6.569 -10.093 53 2HB TYR 38 1HB TYR 38 12.710 7.713 -8.810 54 HD1 TYR 38 HD1 TYR 38 14.047 7.074 -6.924 55 HD2 TYR 38 HD2 TYR 38 12.769 4.129 -9.777 56 HE1 TYR 38 HE1 TYR 38 15.619 5.433 -5.931 57 HE2 TYR 38 HE2 TYR 38 14.341 2.486 -8.782 58 HH TYR 38 HH TYR 38 15.908 3.024 -5.785 59 H LEU 39 H LEU 39 11.172 4.132 -7.644 60 HA LEU 39 HA LEU 39 10.406 2.599 -9.854 61 1HB LEU 39 2HB LEU 39 10.981 2.148 -7.128 62 2HB LEU 39 1HB LEU 39 9.412 1.399 -7.405 63 HG LEU 39 HG LEU 39 11.186 -0.224 -7.870 64 1HD1 LEU 39 1HD1 LEU 39 10.365 0.545 -10.640 65 2HD1 LEU 39 2HD1 LEU 39 9.086 0.193 -9.478 66 3HD1 LEU 39 3HD1 LEU 39 10.304 -1.029 -9.848 67 1HD2 LEU 39 1HD2 LEU 39 12.532 0.535 -10.106 68 2HD2 LEU 39 2HD2 LEU 39 13.143 0.796 -8.474 69 3HD2 LEU 39 3HD2 LEU 39 12.320 2.102 -9.326 70 HA PRO 40 HA PRO 40 5.815 2.752 -8.388 71 1HB PRO 40 2HB PRO 40 5.127 4.609 -6.498 72 2HB PRO 40 1HB PRO 40 5.608 2.948 -6.119 73 1HG PRO 40 2HG PRO 40 7.138 5.467 -5.819 74 2HG PRO 40 1HG PRO 40 7.224 3.972 -4.881 75 1HD PRO 40 2HD PRO 40 9.044 4.761 -6.845 76 2HD PRO 40 1HD PRO 40 8.872 3.112 -6.207 77 H GLN 41 H GLN 41 7.731 5.621 -8.805 78 HA GLN 41 HA GLN 41 5.595 7.344 -9.760 79 1HB GLN 41 2HB GLN 41 7.732 8.270 -8.922 80 2HB GLN 41 1HB GLN 41 8.601 7.447 -10.216 81 1HG GLN 41 2HG GLN 41 8.259 9.766 -10.862 82 2HG GLN 41 1HG GLN 41 7.246 8.741 -11.879 83 1HE2 GLN 41 1HE2 GLN 41 5.446 10.112 -12.239 84 2HE2 GLN 41 2HE2 GLN 41 4.497 10.766 -10.993 85 H LEU 42 H LEU 42 7.850 5.024 -11.156 86 HA LEU 42 HA LEU 42 7.220 5.627 -13.894 87 1HB LEU 42 2HB LEU 42 8.434 3.159 -12.625 88 2HB LEU 42 1HB LEU 42 8.320 3.422 -14.345 89 HG LEU 42 HG LEU 42 10.239 4.592 -14.354 90 1HD1 LEU 42 1HD1 LEU 42 8.911 6.625 -13.656 91 2HD1 LEU 42 2HD1 LEU 42 10.608 6.657 -13.183 92 3HD1 LEU 42 3HD1 LEU 42 9.372 6.274 -11.991 93 1HD2 LEU 42 1HD2 LEU 42 10.143 3.683 -11.504 94 2HD2 LEU 42 2HD2 LEU 42 11.462 4.731 -12.028 95 3HD2 LEU 42 3HD2 LEU 42 11.213 3.169 -12.807 96 H ARG 43 H ARG 43 6.330 2.845 -11.796 97 HA ARG 43 HA ARG 43 4.573 1.545 -13.522 98 1HB ARG 43 2HB ARG 43 3.529 0.565 -11.583 99 2HB ARG 43 1HB ARG 43 5.234 0.761 -11.235 100 1HG ARG 43 2HG ARG 43 4.731 2.853 -10.014 101 2HG ARG 43 1HG ARG 43 3.013 2.597 -10.310 102 1HD ARG 43 2HD ARG 43 4.564 0.365 -9.069 103 2HD ARG 43 1HD ARG 43 4.156 1.751 -8.058 104 HE ARG 43 HE ARG 43 1.876 0.733 -9.560 105 1HH1 ARG 43 1HH2 ARG 43 3.789 0.391 -6.650 106 2HH1 ARG 43 2HH2 ARG 43 2.489 -0.323 -5.761 107 1HH2 ARG 43 2HH1 ARG 43 0.225 -0.198 -8.371 108 2HH2 ARG 43 1HH1 ARG 43 0.494 -0.654 -6.722 109 H LYS 44 H LYS 44 3.770 4.326 -11.402 110 HA LYS 44 HA LYS 44 1.027 4.365 -12.184 111 1HB LYS 44 2HB LYS 44 0.955 6.599 -11.205 112 2HB LYS 44 1HB LYS 44 1.870 5.529 -10.154 113 1HG LYS 44 2HG LYS 44 3.956 6.421 -10.970 114 2HG LYS 44 1HG LYS 44 3.135 7.367 -12.204 115 1HD LYS 44 2HD LYS 44 3.701 8.828 -10.339 116 2HD LYS 44 1HD LYS 44 1.952 8.617 -10.391 117 1HE LYS 44 2HE LYS 44 1.901 7.429 -8.436 118 2HE LYS 44 1HE LYS 44 3.444 6.638 -8.758 119 1HZ LYS 44 1HZ LYS 44 3.113 9.471 -7.933 120 2HZ LYS 44 2HZ LYS 44 4.588 8.670 -8.194 121 3HZ LYS 44 3HZ LYS 44 3.581 8.204 -6.908 122 H ASP 45 H ASP 45 3.990 5.623 -13.621 123 HA ASP 45 HA ASP 45 2.785 7.454 -15.444 124 1HB ASP 45 2HB ASP 45 5.327 5.830 -15.713 125 2HB ASP 45 1HB ASP 45 4.852 7.117 -16.801 126 H ILE 46 H ILE 46 3.612 3.969 -15.822 127 HA ILE 46 HA ILE 46 2.649 3.725 -18.489 128 HB ILE 46 HB ILE 46 3.958 2.009 -16.990 129 1HG1 ILE 46 2HG1 ILE 46 3.162 0.194 -18.518 130 2HG1 ILE 46 1HG1 ILE 46 1.866 1.264 -19.041 131 1HG2 ILE 46 1HG2 ILE 46 1.699 1.815 -15.547 132 2HG2 ILE 46 2HG2 ILE 46 2.810 0.465 -15.750 133 3HG2 ILE 46 3HG2 ILE 46 1.365 0.579 -16.755 134 1HD1 ILE 46 1HD1 ILE 46 4.291 2.746 -19.188 135 2HD1 ILE 46 2HD1 ILE 46 3.269 2.202 -20.517 136 3HD1 ILE 46 3HD1 ILE 46 4.582 1.178 -19.939 137 H LEU 47 H LEU 47 0.927 3.652 -15.394 138 HA LEU 47 HA LEU 47 -1.600 2.754 -16.359 139 1HB LEU 47 2HB LEU 47 -0.742 4.503 -14.059 140 2HB LEU 47 1HB LEU 47 -2.449 4.241 -14.396 141 HG LEU 47 HG LEU 47 -0.613 1.875 -14.246 142 1HD1 LEU 47 1HD1 LEU 47 -1.550 1.897 -11.738 143 2HD1 LEU 47 2HD1 LEU 47 -1.479 3.640 -11.999 144 3HD1 LEU 47 3HD1 LEU 47 -0.019 2.664 -12.161 145 1HD2 LEU 47 1HD2 LEU 47 -2.712 0.829 -13.395 146 2HD2 LEU 47 2HD2 LEU 47 -2.925 1.553 -14.989 147 3HD2 LEU 47 3HD2 LEU 47 -3.523 2.387 -13.555 148 H GLU 48 H GLU 48 -0.272 6.039 -16.002 149 HA GLU 48 HA GLU 48 -2.527 7.364 -17.211 150 1HB GLU 48 2HB GLU 48 0.313 8.401 -17.201 151 2HB GLU 48 1HB GLU 48 -1.177 9.338 -17.242 152 1HG GLU 48 2HG GLU 48 -0.274 7.612 -14.927 153 2HG GLU 48 1HG GLU 48 -0.131 9.358 -15.012 154 H VAL 49 H VAL 49 0.565 6.119 -18.358 155 HA VAL 49 HA VAL 49 0.465 7.130 -20.990 156 HB VAL 49 HB VAL 49 1.643 4.504 -20.022 157 1HG1 VAL 49 1HG1 VAL 49 2.029 4.116 -22.214 158 2HG1 VAL 49 2HG1 VAL 49 3.151 5.474 -22.170 159 3HG1 VAL 49 3HG1 VAL 49 1.479 5.726 -22.672 160 1HG2 VAL 49 1HG2 VAL 49 2.331 7.059 -19.258 161 2HG2 VAL 49 2HG2 VAL 49 3.401 6.796 -20.635 162 3HG2 VAL 49 3HG2 VAL 49 3.437 5.685 -19.266 163 H ILE 50 H ILE 50 -0.555 3.872 -19.838 164 HA ILE 50 HA ILE 50 -1.821 3.040 -22.240 165 HB ILE 50 HB ILE 50 -2.667 2.403 -19.394 166 1HG1 ILE 50 2HG1 ILE 50 -0.988 0.615 -21.117 167 2HG1 ILE 50 1HG1 ILE 50 -0.210 1.964 -20.289 168 1HG2 ILE 50 1HG2 ILE 50 -4.350 1.802 -21.106 169 2HG2 ILE 50 2HG2 ILE 50 -3.614 0.365 -20.396 170 3HG2 ILE 50 3HG2 ILE 50 -3.115 0.911 -21.997 171 1HD1 ILE 50 1HD1 ILE 50 -0.312 -0.290 -19.033 172 2HD1 ILE 50 2HD1 ILE 50 -2.028 0.058 -18.817 173 3HD1 ILE 50 3HD1 ILE 50 -0.816 1.151 -18.150 174 H CYS 51 H CYS 51 -2.802 5.358 -19.825 175 HA CYS 51 HA CYS 51 -5.583 5.468 -20.607 176 1HB CYS 51 2HB CYS 51 -4.428 6.270 -18.387 177 2HB CYS 51 1HB CYS 51 -4.130 7.751 -19.297 178 HG CYS 51 HG CYS 51 -7.040 6.927 -19.524 179 H LYS 52 H LYS 52 -2.704 7.458 -21.288 180 HA LYS 52 HA LYS 52 -3.925 9.424 -22.915 181 1HB LYS 52 2HB LYS 52 -1.164 8.225 -23.258 182 2HB LYS 52 1HB LYS 52 -1.707 9.764 -23.918 183 1HG LYS 52 2HG LYS 52 -1.810 10.778 -21.803 184 2HG LYS 52 1HG LYS 52 -1.863 9.229 -20.960 185 1HD LYS 52 2HD LYS 52 0.364 9.664 -20.626 186 2HD LYS 52 1HD LYS 52 0.509 8.964 -22.239 187 1HE LYS 52 2HE LYS 52 1.712 11.054 -22.252 188 2HE LYS 52 1HE LYS 52 0.231 11.291 -23.179 189 1HZ LYS 52 1HZ LYS 52 0.886 13.011 -21.396 190 2HZ LYS 52 2HZ LYS 52 0.275 11.872 -20.293 191 3HZ LYS 52 3HZ LYS 52 -0.732 12.514 -21.502 192 H TYR 53 H TYR 53 -2.892 6.153 -23.696 193 HA TYR 53 HA TYR 53 -3.663 6.551 -26.532 194 1HB TYR 53 2HB TYR 53 -2.222 4.273 -25.143 195 2HB TYR 53 1HB TYR 53 -2.542 4.370 -26.864 196 HD1 TYR 53 HD1 TYR 53 -1.016 6.471 -24.148 197 HD2 TYR 53 HD2 TYR 53 -0.835 5.188 -28.234 198 HE1 TYR 53 HE1 TYR 53 1.086 7.729 -24.432 199 HE2 TYR 53 HE2 TYR 53 1.279 6.454 -28.525 200 HH TYR 53 HH TYR 53 2.366 8.758 -26.301 201 H VAL 54 H VAL 54 -4.855 5.195 -23.581 202 HA VAL 54 HA VAL 54 -7.172 4.065 -25.017 203 HB VAL 54 HB VAL 54 -5.852 2.254 -22.997 204 1HG1 VAL 54 1HG1 VAL 54 -7.299 1.404 -25.479 205 2HG1 VAL 54 2HG1 VAL 54 -8.232 2.077 -24.141 206 3HG1 VAL 54 3HG1 VAL 54 -7.249 0.633 -23.894 207 1HG2 VAL 54 1HG2 VAL 54 -4.656 1.078 -24.788 208 2HG2 VAL 54 2HG2 VAL 54 -4.105 2.752 -24.714 209 3HG2 VAL 54 3HG2 VAL 54 -5.233 2.250 -25.973 210 H GLN 55 H GLN 55 -7.680 2.611 -22.209 211 HA GLN 55 HA GLN 55 -7.846 4.767 -20.309 212 1HB GLN 55 2HB GLN 55 -9.965 4.555 -22.266 213 2HB GLN 55 1HB GLN 55 -10.603 4.249 -20.652 214 1HG GLN 55 2HG GLN 55 -9.716 6.346 -19.834 215 2HG GLN 55 1HG GLN 55 -8.868 6.632 -21.354 216 1HE2 GLN 55 1HE2 GLN 55 -12.259 5.677 -20.526 217 2HE2 GLN 55 2HE2 GLN 55 -12.981 6.866 -21.498 218 H ILE 56 H ILE 56 -7.386 3.530 -18.592 219 HA ILE 56 HA ILE 56 -9.179 1.240 -17.963 220 HB ILE 56 HB ILE 56 -7.038 0.071 -17.069 221 1HG1 ILE 56 2HG1 ILE 56 -5.563 1.325 -19.312 222 2HG1 ILE 56 1HG1 ILE 56 -5.813 2.370 -17.914 223 1HG2 ILE 56 1HG2 ILE 56 -6.945 0.060 -20.029 224 2HG2 ILE 56 2HG2 ILE 56 -8.528 -0.241 -19.313 225 3HG2 ILE 56 3HG2 ILE 56 -7.161 -1.276 -18.900 226 1HD1 ILE 56 1HD1 ILE 56 -4.780 -0.457 -17.628 227 2HD1 ILE 56 2HD1 ILE 56 -4.706 0.854 -16.450 228 3HD1 ILE 56 3HD1 ILE 56 -3.695 0.907 -17.895 229 H ASP 57 H ASP 57 -8.848 0.585 -15.606 230 HA ASP 57 HA ASP 57 -8.406 3.052 -13.991 231 1HB ASP 57 2HB ASP 57 -10.116 0.610 -13.669 232 2HB ASP 57 1HB ASP 57 -9.588 1.468 -12.223 233 HA PRO 58 HA PRO 58 -4.889 1.235 -12.013 234 1HB PRO 58 2HB PRO 58 -5.154 2.077 -9.423 235 2HB PRO 58 1HB PRO 58 -4.672 3.145 -10.750 236 1HG PRO 58 2HG PRO 58 -7.288 2.923 -9.359 237 2HG PRO 58 1HG PRO 58 -6.511 4.338 -10.086 238 1HD PRO 58 2HD PRO 58 -8.582 2.879 -11.251 239 2HD PRO 58 1HD PRO 58 -7.477 3.959 -12.128 240 H GLU 59 H GLU 59 -8.026 0.638 -10.547 241 HA GLU 59 HA GLU 59 -7.206 -1.557 -8.860 242 1HB GLU 59 2HB GLU 59 -9.845 -0.649 -10.010 243 2HB GLU 59 1HB GLU 59 -9.720 -2.165 -9.114 244 1HG GLU 59 2HG GLU 59 -8.684 0.448 -8.003 245 2HG GLU 59 1HG GLU 59 -10.343 -0.093 -7.743 246 H MET 60 H MET 60 -7.499 -1.217 -12.276 247 HA MET 60 HA MET 60 -8.021 -4.081 -12.747 248 1HB MET 60 2HB MET 60 -7.649 -1.655 -14.509 249 2HB MET 60 1HB MET 60 -7.636 -3.280 -15.183 250 1HG MET 60 2HG MET 60 -9.875 -2.836 -13.334 251 2HG MET 60 1HG MET 60 -9.902 -1.744 -14.716 252 1HE MET 60 1HE MET 60 -10.820 -2.505 -17.119 253 2HE MET 60 2HE MET 60 -9.967 -3.898 -17.780 254 3HE MET 60 3HE MET 60 -9.059 -2.613 -16.986 255 H VAL 61 H VAL 61 -5.337 -1.859 -12.518 256 HA VAL 61 HA VAL 61 -3.496 -3.815 -13.772 257 HB VAL 61 HB VAL 61 -2.931 -1.033 -12.705 258 1HG1 VAL 61 1HG1 VAL 61 -1.027 -2.749 -12.987 259 2HG1 VAL 61 2HG1 VAL 61 -0.835 -1.198 -13.802 260 3HG1 VAL 61 3HG1 VAL 61 -1.334 -2.619 -14.719 261 1HG2 VAL 61 1HG2 VAL 61 -3.820 -2.064 -15.392 262 2HG2 VAL 61 2HG2 VAL 61 -2.830 -0.607 -15.282 263 3HG2 VAL 61 3HG2 VAL 61 -4.407 -0.663 -14.494 264 H THR 62 H THR 62 -2.447 -5.249 -12.469 265 HA THR 62 HA THR 62 -2.413 -4.798 -9.561 266 HB THR 62 HB THR 62 -1.244 -7.210 -10.932 267 HG1 THR 62 HG1 THR 62 -3.371 -8.091 -10.816 268 1HG2 THR 62 1HG2 THR 62 -2.550 -6.621 -8.271 269 2HG2 THR 62 2HG2 THR 62 -0.897 -7.155 -8.572 270 3HG2 THR 62 3HG2 THR 62 -2.243 -8.264 -8.835 271 H VAL 63 H VAL 63 -0.354 -5.132 -8.366 272 HA VAL 63 HA VAL 63 2.111 -4.708 -9.961 273 HB VAL 63 HB VAL 63 1.297 -2.922 -7.652 274 1HG1 VAL 63 1HG1 VAL 63 3.374 -1.955 -7.800 275 2HG1 VAL 63 2HG1 VAL 63 3.487 -2.221 -9.539 276 3HG1 VAL 63 3HG1 VAL 63 3.820 -3.542 -8.422 277 1HG2 VAL 63 1HG2 VAL 63 1.121 -2.641 -10.636 278 2HG2 VAL 63 2HG2 VAL 63 1.403 -1.212 -9.644 279 3HG2 VAL 63 3HG2 VAL 63 -0.052 -2.176 -9.404 280 H GLN 64 H GLN 64 3.302 -6.428 -9.271 281 HA GLN 64 HA GLN 64 3.419 -6.905 -6.326 282 1HB GLN 64 2HB GLN 64 3.902 -9.309 -6.904 283 2HB GLN 64 1HB GLN 64 2.282 -8.782 -7.358 284 1HG GLN 64 2HG GLN 64 4.353 -8.376 -9.431 285 2HG GLN 64 1HG GLN 64 3.997 -10.056 -9.060 286 1HE2 GLN 64 1HE2 GLN 64 2.536 -10.769 -10.624 287 2HE2 GLN 64 2HE2 GLN 64 1.152 -9.917 -11.116 288 H LEU 65 H LEU 65 5.464 -6.866 -5.441 289 HA LEU 65 HA LEU 65 7.725 -6.576 -7.350 290 1HB LEU 65 2HB LEU 65 8.858 -5.451 -5.428 291 2HB LEU 65 1HB LEU 65 7.430 -4.602 -5.997 292 HG LEU 65 HG LEU 65 6.765 -6.583 -3.950 293 1HD1 LEU 65 1HD1 LEU 65 8.715 -4.372 -3.234 294 2HD1 LEU 65 2HD1 LEU 65 9.005 -6.106 -3.099 295 3HD1 LEU 65 3HD1 LEU 65 7.807 -5.330 -2.063 296 1HD2 LEU 65 1HD2 LEU 65 5.598 -4.657 -2.983 297 2HD2 LEU 65 2HD2 LEU 65 5.322 -4.707 -4.724 298 3HD2 LEU 65 3HD2 LEU 65 6.480 -3.562 -4.047 299 H GLU 66 H GLU 66 9.388 -7.996 -7.256 300 HA GLU 66 HA GLU 66 9.476 -9.906 -4.958 301 1HB GLU 66 2HB GLU 66 9.743 -10.424 -7.922 302 2HB GLU 66 1HB GLU 66 10.418 -11.540 -6.740 303 1HG GLU 66 2HG GLU 66 7.518 -10.677 -6.937 304 2HG GLU 66 1HG GLU 66 8.161 -12.239 -7.435 305 H GLN 67 H GLN 67 11.779 -11.034 -5.034 306 HA GLN 67 HA GLN 67 13.897 -9.203 -5.987 307 1HB GLN 67 2HB GLN 67 13.361 -9.803 -3.069 308 2HB GLN 67 1HB GLN 67 14.934 -9.252 -3.646 309 1HG GLN 67 2HG GLN 67 13.858 -7.248 -4.633 310 2HG GLN 67 1HG GLN 67 12.302 -7.789 -4.002 311 1HE2 GLN 67 1HE2 GLN 67 11.928 -6.232 -2.365 312 2HE2 GLN 67 2HE2 GLN 67 12.984 -5.959 -1.065 313 H LYS 68 H LYS 68 15.943 -10.245 -6.132 314 HA LYS 68 HA LYS 68 15.790 -13.213 -5.908 315 1HB LYS 68 2HB LYS 68 17.618 -11.397 -7.496 316 2HB LYS 68 1HB LYS 68 17.825 -13.143 -7.400 317 1HG LYS 68 2HG LYS 68 16.161 -13.522 -8.881 318 2HG LYS 68 1HG LYS 68 15.069 -12.415 -8.051 319 1HD LYS 68 2HD LYS 68 15.484 -11.579 -10.301 320 2HD LYS 68 1HD LYS 68 16.254 -10.501 -9.138 321 1HE LYS 68 2HE LYS 68 17.792 -10.960 -10.986 322 2HE LYS 68 1HE LYS 68 18.409 -11.686 -9.502 323 1HZ LYS 68 1HZ LYS 68 18.389 -13.104 -11.605 324 2HZ LYS 68 2HZ LYS 68 16.710 -13.222 -11.366 325 3HZ LYS 68 3HZ LYS 68 17.782 -13.801 -10.182 326 H ASP 69 H ASP 69 17.949 -14.261 -5.293 327 HA ASP 69 HA ASP 69 18.801 -13.206 -2.745 328 1HB ASP 69 2HB ASP 69 19.422 -15.611 -4.396 329 2HB ASP 69 1HB ASP 69 20.570 -15.161 -3.134 330 H GLY 70 H GLY 70 19.763 -12.411 -5.892 331 1HA GLY 70 2HA GLY 70 22.571 -11.858 -5.111 332 2HA GLY 70 1HA GLY 70 21.918 -11.742 -6.744 333 H ASP 71 H ASP 71 20.308 -10.349 -3.947 334 HA ASP 71 HA ASP 71 19.767 -8.132 -3.431 335 1HB ASP 71 2HB ASP 71 22.537 -7.864 -4.588 336 2HB ASP 71 1HB ASP 71 21.621 -6.435 -4.112 337 H ILE 72 H ILE 72 18.484 -9.094 -5.620 338 HA ILE 72 HA ILE 72 18.477 -6.756 -7.480 339 HB ILE 72 HB ILE 72 17.810 -9.599 -8.269 340 1HG1 ILE 72 2HG1 ILE 72 20.435 -8.083 -8.420 341 2HG1 ILE 72 1HG1 ILE 72 20.136 -9.611 -7.607 342 1HG2 ILE 72 1HG2 ILE 72 18.092 -8.679 -10.544 343 2HG2 ILE 72 2HG2 ILE 72 18.476 -7.102 -9.857 344 3HG2 ILE 72 3HG2 ILE 72 16.862 -7.782 -9.653 345 1HD1 ILE 72 1HD1 ILE 72 20.689 -10.717 -9.485 346 2HD1 ILE 72 2HD1 ILE 72 20.955 -9.186 -10.318 347 3HD1 ILE 72 3HD1 ILE 72 19.359 -9.934 -10.336 348 H SER 73 H SER 73 16.331 -6.314 -8.428 349 HA SER 73 HA SER 73 14.119 -7.293 -6.666 350 1HB SER 73 2HB SER 73 14.054 -4.682 -8.166 351 2HB SER 73 1HB SER 73 13.115 -5.165 -6.757 352 HG SER 73 HG SER 73 14.790 -3.787 -6.136 353 H ILE 74 H ILE 74 11.954 -7.227 -7.764 354 HA ILE 74 HA ILE 74 12.007 -7.488 -10.709 355 HB ILE 74 HB ILE 74 11.239 -9.725 -8.812 356 1HG1 ILE 74 2HG1 ILE 74 13.352 -9.499 -10.970 357 2HG1 ILE 74 1HG1 ILE 74 13.635 -9.580 -9.239 358 1HG2 ILE 74 1HG2 ILE 74 10.933 -9.601 -11.828 359 2HG2 ILE 74 2HG2 ILE 74 9.607 -9.539 -10.667 360 3HG2 ILE 74 3HG2 ILE 74 10.582 -11.000 -10.814 361 1HD1 ILE 74 1HD1 ILE 74 11.995 -11.815 -10.007 362 2HD1 ILE 74 2HD1 ILE 74 13.611 -11.826 -9.300 363 3HD1 ILE 74 3HD1 ILE 74 13.416 -11.753 -11.051 364 H LEU 75 H LEU 75 10.585 -5.635 -10.623 365 HA LEU 75 HA LEU 75 8.068 -5.871 -9.139 366 1HB LEU 75 2HB LEU 75 9.342 -3.705 -9.311 367 2HB LEU 75 1HB LEU 75 8.930 -3.671 -11.022 368 HG LEU 75 HG LEU 75 6.682 -4.125 -9.130 369 1HD1 LEU 75 1HD1 LEU 75 7.537 -1.292 -9.579 370 2HD1 LEU 75 2HD1 LEU 75 8.338 -2.212 -8.305 371 3HD1 LEU 75 3HD1 LEU 75 6.590 -1.981 -8.260 372 1HD2 LEU 75 1HD2 LEU 75 7.213 -2.906 -11.798 373 2HD2 LEU 75 2HD2 LEU 75 5.886 -2.222 -10.861 374 3HD2 LEU 75 3HD2 LEU 75 5.879 -3.935 -11.279 375 H GLU 76 H GLU 76 6.607 -7.219 -10.071 376 HA GLU 76 HA GLU 76 6.250 -7.130 -13.032 377 1HB GLU 76 2HB GLU 76 5.048 -9.133 -11.108 378 2HB GLU 76 1HB GLU 76 5.191 -9.273 -12.857 379 1HG GLU 76 2HG GLU 76 7.541 -9.587 -12.751 380 2HG GLU 76 1HG GLU 76 7.626 -9.014 -11.087 381 H LEU 77 H LEU 77 4.618 -5.791 -13.689 382 HA LEU 77 HA LEU 77 2.321 -5.421 -11.815 383 1HB LEU 77 2HB LEU 77 1.880 -3.315 -13.132 384 2HB LEU 77 1HB LEU 77 3.400 -3.308 -12.241 385 HG LEU 77 HG LEU 77 3.465 -4.337 -15.038 386 1HD1 LEU 77 1HD1 LEU 77 2.224 -2.429 -15.576 387 2HD1 LEU 77 2HD1 LEU 77 3.879 -1.829 -15.670 388 3HD1 LEU 77 3HD1 LEU 77 2.900 -1.495 -14.242 389 1HD2 LEU 77 1HD2 LEU 77 5.345 -2.346 -13.818 390 2HD2 LEU 77 2HD2 LEU 77 5.692 -3.676 -14.924 391 3HD2 LEU 77 3HD2 LEU 77 5.375 -4.006 -13.221 392 H ASN 78 H ASN 78 0.367 -6.146 -12.444 393 HA ASN 78 HA ASN 78 0.099 -7.412 -15.092 394 1HB ASN 78 2HB ASN 78 -1.884 -7.236 -12.818 395 2HB ASN 78 1HB ASN 78 -1.946 -8.332 -14.188 396 1HD2 ASN 78 1HD2 ASN 78 -1.153 -10.384 -13.729 397 2HD2 ASN 78 2HD2 ASN 78 0.052 -10.730 -12.590 398 H VAL 79 H VAL 79 -1.330 -6.646 -16.669 399 HA VAL 79 HA VAL 79 -2.722 -4.077 -16.028 400 HB VAL 79 HB VAL 79 -1.526 -4.788 -18.716 401 1HG1 VAL 79 1HG1 VAL 79 -1.708 -2.168 -18.777 402 2HG1 VAL 79 2HG1 VAL 79 -2.882 -2.407 -17.484 403 3HG1 VAL 79 3HG1 VAL 79 -3.148 -3.143 -19.064 404 1HG2 VAL 79 1HG2 VAL 79 0.344 -3.350 -18.150 405 2HG2 VAL 79 2HG2 VAL 79 0.199 -4.566 -16.881 406 3HG2 VAL 79 3HG2 VAL 79 -0.390 -2.927 -16.603 407 H THR 80 H THR 80 -4.703 -5.159 -15.663 408 HA THR 80 HA THR 80 -5.822 -6.960 -17.673 409 HB THR 80 HB THR 80 -7.153 -5.606 -15.304 410 HG1 THR 80 HG1 THR 80 -6.760 -7.641 -14.322 411 1HG2 THR 80 1HG2 THR 80 -7.971 -8.070 -16.869 412 2HG2 THR 80 2HG2 THR 80 -8.700 -6.476 -17.069 413 3HG2 THR 80 3HG2 THR 80 -8.855 -7.330 -15.534 414 H LEU 81 H LEU 81 -6.044 -5.807 -19.615 415 HA LEU 81 HA LEU 81 -7.371 -3.187 -19.627 416 1HB LEU 81 2HB LEU 81 -6.341 -5.006 -21.825 417 2HB LEU 81 1HB LEU 81 -7.090 -3.441 -22.122 418 HG LEU 81 HG LEU 81 -4.850 -3.577 -20.147 419 1HD1 LEU 81 1HD1 LEU 81 -3.246 -3.220 -22.054 420 2HD1 LEU 81 2HD1 LEU 81 -4.542 -3.675 -23.161 421 3HD1 LEU 81 3HD1 LEU 81 -3.928 -4.845 -21.994 422 1HD2 LEU 81 1HD2 LEU 81 -5.094 -1.494 -22.258 423 2HD2 LEU 81 2HD2 LEU 81 -4.730 -1.318 -20.541 424 3HD2 LEU 81 3HD2 LEU 81 -6.396 -1.554 -21.070 425 HA PRO 82 HA PRO 82 -11.387 -5.106 -20.190 426 1HB PRO 82 2HB PRO 82 -12.795 -2.837 -20.756 427 2HB PRO 82 1HB PRO 82 -12.256 -3.269 -19.127 428 1HG PRO 82 2HG PRO 82 -11.236 -1.187 -20.951 429 2HG PRO 82 1HG PRO 82 -11.162 -1.279 -19.186 430 1HD PRO 82 2HD PRO 82 -9.058 -1.851 -21.002 431 2HD PRO 82 1HD PRO 82 -9.070 -2.157 -19.252 432 H GLU 83 H GLU 83 -13.319 -4.632 -21.937 433 HA GLU 83 HA GLU 83 -12.412 -5.612 -24.428 434 1HB GLU 83 2HB GLU 83 -14.943 -4.397 -23.428 435 2HB GLU 83 1HB GLU 83 -14.734 -4.521 -25.173 436 1HG GLU 83 2HG GLU 83 -14.586 -6.859 -25.123 437 2HG GLU 83 1HG GLU 83 -14.163 -6.889 -23.412 438 H ALA 84 H ALA 84 -12.092 -4.604 -26.450 439 HA ALA 84 HA ALA 84 -12.454 -1.845 -26.993 440 1HB ALA 84 1HB ALA 84 -10.451 -2.034 -25.209 441 2HB ALA 84 2HB ALA 84 -10.454 -0.820 -26.488 442 3HB ALA 84 3HB ALA 84 -9.525 -2.306 -26.686 443 H GLU 85 H GLU 85 -12.487 -1.758 -29.191 444 HA GLU 85 HA GLU 85 -10.472 -2.840 -30.892 445 1HB GLU 85 2HB GLU 85 -11.828 -4.675 -31.939 446 2HB GLU 85 1HB GLU 85 -11.357 -5.021 -30.275 447 1HG GLU 85 2HG GLU 85 -13.586 -4.149 -29.523 448 2HG GLU 85 1HG GLU 85 -14.049 -3.997 -31.218 449 H GLU 86 H GLU 86 -11.532 -0.384 -30.915 450 HA GLU 86 HA GLU 86 -12.542 1.212 -32.304 451 1HB GLU 86 2HB GLU 86 -11.353 -0.477 -33.991 452 2HB GLU 86 1HB GLU 86 -13.023 -0.839 -34.427 453 1HG GLU 86 2HG GLU 86 -13.438 1.327 -35.185 454 2HG GLU 86 1HG GLU 86 -12.145 2.025 -34.208 455 H LEU 87 H LEU 87 -14.197 -0.372 -30.496 456 HA LEU 87 HA LEU 87 -16.802 0.006 -31.888 457 1HB LEU 87 2HB LEU 87 -15.737 -2.502 -30.676 458 2HB LEU 87 1HB LEU 87 -17.435 -2.126 -30.376 459 HG LEU 87 HG LEU 87 -16.290 -1.969 -33.160 460 1HD1 LEU 87 1HD1 LEU 87 -16.949 -4.377 -31.539 461 2HD1 LEU 87 2HD1 LEU 87 -15.824 -4.201 -32.884 462 3HD1 LEU 87 3HD1 LEU 87 -17.553 -4.351 -33.196 463 1HD2 LEU 87 1HD2 LEU 87 -18.541 -2.024 -33.832 464 2HD2 LEU 87 2HD2 LEU 87 -18.605 -1.061 -32.356 465 3HD2 LEU 87 3HD2 LEU 87 -19.073 -2.761 -32.320 466 H LYS 88 HN LYS 88 -18.259 1.071 -30.611 467 HA LYS 88 HA LYS 88 -17.648 1.280 -27.689 468 1HB LYS 88 2HB LYS 88 -18.346 3.401 -29.700 469 2HB LYS 88 1HB LYS 88 -18.832 3.609 -28.016 470 1HG LYS 88 2HG LYS 88 -16.657 3.787 -27.264 471 2HG LYS 88 1HG LYS 88 -16.017 2.768 -28.554 472 1HD LYS 88 2HD LYS 88 -15.269 4.947 -29.106 473 2HD LYS 88 1HD LYS 88 -16.670 4.689 -30.146 474 1HE LYS 88 2HE LYS 88 -17.959 5.736 -28.062 475 2HE LYS 88 1HE LYS 88 -16.382 6.467 -27.761 476 1HZ LYS 88 1HZ LYS 88 -17.605 6.557 -30.444 477 2HZ LYS 88 2HZ LYS 88 -16.413 7.570 -29.780 478 3HZ LYS 88 3HZ LYS 88 -18.027 7.699 -29.262 479 1H ARG 31 1H ARG 31 2.975 -11.331 -34.672 480 2H ARG 31 2H ARG 31 3.345 -12.038 -33.172 481 3H ARG 31 3H ARG 31 4.585 -11.396 -34.140 482 HA ARG 31 HA ARG 31 4.036 -9.927 -32.281 483 1HB ARG 31 2HB ARG 31 4.653 -9.222 -34.780 484 2HB ARG 31 1HB ARG 31 3.033 -8.526 -34.728 485 1HG ARG 31 2HG ARG 31 3.591 -7.000 -33.076 486 2HG ARG 31 1HG ARG 31 4.871 -8.020 -32.419 487 1HD ARG 31 2HD ARG 31 5.242 -7.054 -35.209 488 2HD ARG 31 1HD ARG 31 5.387 -5.848 -33.929 489 HE ARG 31 HE ARG 31 6.914 -8.123 -33.170 490 1HH1 ARG 31 1HH2 ARG 31 6.914 -5.583 -35.573 491 2HH1 ARG 31 2HH2 ARG 31 8.634 -5.608 -35.746 492 1HH2 ARG 31 1HH1 ARG 31 9.137 -8.121 -33.423 493 2HH2 ARG 31 2HH1 ARG 31 9.881 -7.028 -34.543 494 H SER 32 H SER 32 2.028 -11.238 -31.472 495 HA SER 32 HA SER 32 -0.604 -10.580 -32.312 496 1HB SER 32 2HB SER 32 0.088 -11.143 -29.438 497 2HB SER 32 1HB SER 32 -1.349 -11.619 -30.339 498 HG SER 32 HG SER 32 -0.288 -13.258 -31.178 499 H ASP 33 H ASP 33 1.703 -8.760 -30.438 500 HA ASP 33 HA ASP 33 -0.321 -6.966 -29.335 501 1HB ASP 33 2HB ASP 33 1.658 -5.699 -28.480 502 2HB ASP 33 1HB ASP 33 1.636 -7.390 -27.981 503 H ALA 34 H ALA 34 0.561 -7.273 -32.406 504 HA ALA 34 HA ALA 34 1.175 -4.461 -32.970 505 1HB ALA 34 1HB ALA 34 1.046 -5.403 -35.397 506 2HB ALA 34 2HB ALA 34 1.047 -6.979 -34.607 507 3HB ALA 34 3HB ALA 34 2.405 -5.877 -34.379 508 H GLU 35 H GLU 35 -1.599 -6.394 -32.566 509 HA GLU 35 HA GLU 35 -3.318 -5.328 -34.575 510 1HB GLU 35 2HB GLU 35 -4.133 -6.318 -31.831 511 2HB GLU 35 1HB GLU 35 -5.143 -6.227 -33.267 512 1HG GLU 35 2HG GLU 35 -2.629 -7.753 -33.607 513 2HG GLU 35 1HG GLU 35 -3.796 -8.472 -32.501 514 HA PRO 36 HA PRO 36 -4.589 -1.973 -31.408 515 1HB PRO 36 2HB PRO 36 -3.151 -1.700 -29.103 516 2HB PRO 36 1HB PRO 36 -4.531 -2.796 -29.265 517 1HG PRO 36 2HG PRO 36 -1.672 -3.419 -29.043 518 2HG PRO 36 1HG PRO 36 -3.078 -4.447 -28.732 519 1HD PRO 36 2HD PRO 36 -1.395 -4.427 -31.056 520 2HD PRO 36 1HD PRO 36 -2.812 -5.439 -30.754 521 H HIS 37 H HIS 37 -1.050 -2.447 -31.256 522 HA HIS 37 HA HIS 37 0.696 -1.089 -32.002 523 1HB HIS 37 2HB HIS 37 -1.204 -0.436 -33.770 524 2HB HIS 37 1HB HIS 37 -1.107 1.105 -32.917 525 HD1 HIS 37 HD1 HIS 37 0.449 2.622 -34.123 526 HD2 HIS 37 HD2 HIS 37 1.801 -1.321 -34.204 527 HE1 HIS 37 HE1 HIS 37 2.669 2.650 -35.344 528 H TYR 38 H TYR 38 -1.388 -0.375 -29.547 529 HA TYR 38 HA TYR 38 0.231 1.997 -28.735 530 1HB TYR 38 2HB TYR 38 -1.781 2.582 -27.277 531 2HB TYR 38 1HB TYR 38 -2.003 2.803 -29.011 532 HD1 TYR 38 HD1 TYR 38 -3.574 1.481 -30.250 533 HD2 TYR 38 HD2 TYR 38 -2.753 0.584 -26.130 534 HE1 TYR 38 HE1 TYR 38 -5.523 -0.051 -30.196 535 HE2 TYR 38 HE2 TYR 38 -4.703 -0.950 -26.077 536 HH TYR 38 HH TYR 38 -6.326 -1.958 -28.919 537 H LEU 39 H LEU 39 -1.345 -1.005 -27.740 538 HA LEU 39 HA LEU 39 -0.768 -1.066 -25.005 539 1HB LEU 39 2HB LEU 39 -1.615 -2.897 -26.978 540 2HB LEU 39 1HB LEU 39 -0.225 -3.653 -26.206 541 HG LEU 39 HG LEU 39 -2.265 -4.271 -25.002 542 1HD1 LEU 39 1HD1 LEU 39 -1.109 -2.217 -23.162 543 2HD1 LEU 39 2HD1 LEU 39 -0.019 -3.446 -23.803 544 3HD1 LEU 39 3HD1 LEU 39 -1.438 -3.926 -22.872 545 1HD2 LEU 39 1HD2 LEU 39 -3.260 -2.081 -23.737 546 2HD2 LEU 39 2HD2 LEU 39 -3.914 -2.706 -25.250 547 3HD2 LEU 39 3HD2 LEU 39 -2.776 -1.359 -25.272 548 HA PRO 40 HA PRO 40 3.637 -2.780 -25.955 549 1HB PRO 40 2HB PRO 40 4.569 -2.586 -28.523 550 2HB PRO 40 1HB PRO 40 3.722 -4.004 -27.886 551 1HG PRO 40 2HG PRO 40 2.743 -1.888 -29.715 552 2HG PRO 40 1HG PRO 40 2.277 -3.589 -29.599 553 1HD PRO 40 2HD PRO 40 0.807 -1.433 -28.606 554 2HD PRO 40 1HD PRO 40 0.581 -3.132 -28.140 555 H GLN 41 H GLN 41 2.407 0.112 -27.438 556 HA GLN 41 HA GLN 41 4.919 1.566 -27.530 557 1HB GLN 41 2HB GLN 41 2.975 2.251 -28.899 558 2HB GLN 41 1HB GLN 41 2.044 2.551 -27.434 559 1HG GLN 41 2HG GLN 41 2.914 4.669 -28.250 560 2HG GLN 41 1HG GLN 41 3.755 4.251 -26.757 561 1HE2 GLN 41 1HE2 GLN 41 5.825 5.152 -27.147 562 2HE2 GLN 41 2HE2 GLN 41 6.803 4.730 -28.469 563 H LEU 42 H LEU 42 2.328 1.051 -25.200 564 HA LEU 42 HA LEU 42 3.260 2.996 -23.302 565 1HB LEU 42 2HB LEU 42 1.466 0.580 -22.961 566 2HB LEU 42 1HB LEU 42 1.754 1.772 -21.721 567 HG LEU 42 HG LEU 42 0.130 3.098 -22.534 568 1HD1 LEU 42 1HD1 LEU 42 1.807 3.995 -24.199 569 2HD1 LEU 42 2HD1 LEU 42 0.128 4.102 -24.717 570 3HD1 LEU 42 3HD1 LEU 42 1.168 2.840 -25.368 571 1HD2 LEU 42 1HD2 LEU 42 -0.167 0.694 -24.293 572 2HD2 LEU 42 2HD2 LEU 42 -1.194 2.099 -24.578 573 3HD2 LEU 42 3HD2 LEU 42 -1.228 1.285 -23.014 574 H ARG 43 H ARG 43 3.393 -0.598 -23.299 575 HA ARG 43 HA ARG 43 4.951 -0.972 -21.020 576 1HB ARG 43 2HB ARG 43 5.625 -3.098 -21.936 577 2HB ARG 43 1HB ARG 43 3.980 -2.787 -22.450 578 1HG ARG 43 2HG ARG 43 4.829 -1.977 -24.628 579 2HG ARG 43 1HG ARG 43 6.470 -2.366 -24.120 580 1HD ARG 43 2HD ARG 43 4.398 -4.511 -23.918 581 2HD ARG 43 1HD ARG 43 5.018 -4.108 -25.519 582 HE ARG 43 HE ARG 43 7.130 -4.504 -23.551 583 1HH1 ARG 43 1HH2 ARG 43 4.990 -6.076 -25.829 584 2HH1 ARG 43 2HH2 ARG 43 6.043 -7.430 -26.037 585 1HH2 ARG 43 2HH1 ARG 43 8.459 -6.279 -23.847 586 2HH2 ARG 43 1HH1 ARG 43 7.985 -7.547 -24.928 587 H LYS 44 H LYS 44 6.174 -0.214 -24.306 588 HA LYS 44 HA LYS 44 8.911 -0.306 -23.507 589 1HB LYS 44 2HB LYS 44 9.386 0.849 -25.605 590 2HB LYS 44 1HB LYS 44 8.194 -0.410 -25.887 591 1HG LYS 44 2HG LYS 44 6.407 1.207 -25.899 592 2HG LYS 44 1HG LYS 44 7.494 2.497 -25.401 593 1HD LYS 44 2HD LYS 44 7.122 2.663 -27.803 594 2HD LYS 44 1HD LYS 44 8.786 2.158 -27.515 595 1HE LYS 44 2HE LYS 44 8.447 0.072 -28.390 596 2HE LYS 44 1HE LYS 44 6.798 -0.030 -27.774 597 1HZ LYS 44 1HZ LYS 44 7.664 1.628 -30.080 598 2HZ LYS 44 2HZ LYS 44 6.074 1.469 -29.501 599 3HZ LYS 44 3HZ LYS 44 6.867 0.136 -30.195 600 H ASP 45 H ASP 45 6.391 2.148 -23.294 601 HA ASP 45 HA ASP 45 8.080 4.394 -22.815 602 1HB ASP 45 2HB ASP 45 5.276 3.821 -21.823 603 2HB ASP 45 1HB ASP 45 6.088 5.364 -21.668 604 H ILE 46 H ILE 46 6.561 2.069 -20.521 605 HA ILE 46 HA ILE 46 7.633 3.239 -18.161 606 HB ILE 46 HB ILE 46 5.891 1.296 -18.454 607 1HG1 ILE 46 2HG1 ILE 46 6.389 0.607 -16.100 608 2HG1 ILE 46 1HG1 ILE 46 7.915 1.476 -16.215 609 1HG2 ILE 46 1HG2 ILE 46 7.951 -0.181 -19.345 610 2HG2 ILE 46 2HG2 ILE 46 6.596 -0.880 -18.466 611 3HG2 ILE 46 3HG2 ILE 46 8.099 -0.508 -17.622 612 1HD1 ILE 46 1HD1 ILE 46 5.875 3.234 -17.137 613 2HD1 ILE 46 2HD1 ILE 46 6.850 3.373 -15.674 614 3HD1 ILE 46 3HD1 ILE 46 5.313 2.512 -15.630 615 H LEU 47 H LEU 47 9.082 1.000 -20.493 616 HA LEU 47 HA LEU 47 11.422 0.331 -19.011 617 1HB LEU 47 2HB LEU 47 10.795 0.527 -21.953 618 2HB LEU 47 1HB LEU 47 12.428 0.159 -21.408 619 HG LEU 47 HG LEU 47 10.127 -1.389 -20.269 620 1HD1 LEU 47 1HD1 LEU 47 10.869 -3.042 -22.238 621 2HD1 LEU 47 2HD1 LEU 47 11.186 -1.512 -23.056 622 3HD1 LEU 47 3HD1 LEU 47 9.569 -1.870 -22.453 623 1HD2 LEU 47 1HD2 LEU 47 11.891 -3.149 -20.193 624 2HD2 LEU 47 2HD2 LEU 47 12.363 -1.693 -19.319 625 3HD2 LEU 47 3HD2 LEU 47 13.024 -2.011 -20.923 626 H GLU 48 H GLU 48 10.799 2.969 -21.321 627 HA GLU 48 HA GLU 48 13.362 4.235 -20.966 628 1HB GLU 48 2HB GLU 48 10.813 5.641 -21.781 629 2HB GLU 48 1HB GLU 48 12.467 6.082 -22.195 630 1HG GLU 48 2HG GLU 48 11.059 3.566 -23.111 631 2HG GLU 48 1HG GLU 48 11.296 5.010 -24.079 632 H VAL 49 H VAL 49 10.164 4.591 -19.526 633 HA VAL 49 HA VAL 49 10.660 6.906 -17.990 634 HB VAL 49 HB VAL 49 8.888 4.535 -17.311 635 1HG1 VAL 49 1HG1 VAL 49 8.582 5.602 -15.343 636 2HG1 VAL 49 2HG1 VAL 49 7.773 6.875 -16.254 637 3HG1 VAL 49 3HG1 VAL 49 9.492 7.012 -15.882 638 1HG2 VAL 49 1HG2 VAL 49 8.704 6.228 -19.475 639 2HG2 VAL 49 2HG2 VAL 49 7.703 7.058 -18.286 640 3HG2 VAL 49 3HG2 VAL 49 7.336 5.394 -18.740 641 H ILE 50 H ILE 50 10.884 3.468 -16.936 642 HA ILE 50 HA ILE 50 12.108 3.960 -14.420 643 HB ILE 50 HB ILE 50 12.600 1.613 -16.284 644 1HG1 ILE 50 2HG1 ILE 50 10.705 1.582 -13.961 645 2HG1 ILE 50 1HG1 ILE 50 10.174 2.316 -15.476 646 1HG2 ILE 50 1HG2 ILE 50 14.232 1.791 -14.431 647 2HG2 ILE 50 2HG2 ILE 50 13.162 0.408 -14.211 648 3HG2 ILE 50 3HG2 ILE 50 12.902 1.881 -13.277 649 1HD1 ILE 50 1HD1 ILE 50 9.709 -0.204 -15.157 650 2HD1 ILE 50 2HD1 ILE 50 11.440 -0.424 -15.416 651 3HD1 ILE 50 3HD1 ILE 50 10.443 0.296 -16.681 652 H CYS 51 H CYS 51 13.389 4.145 -17.662 653 HA CYS 51 HA CYS 51 16.178 4.101 -16.902 654 1HB CYS 51 2HB CYS 51 15.066 3.668 -19.243 655 2HB CYS 51 1HB CYS 51 15.154 5.423 -19.399 656 HG CYS 51 HG CYS 51 17.830 4.297 -18.529 657 H LYS 52 H LYS 52 13.839 6.665 -17.721 658 HA LYS 52 HA LYS 52 15.561 8.898 -17.479 659 1HB LYS 52 2HB LYS 52 12.638 8.748 -16.691 660 2HB LYS 52 1HB LYS 52 13.540 10.223 -17.024 661 1HG LYS 52 2HG LYS 52 13.707 9.751 -19.318 662 2HG LYS 52 1HG LYS 52 13.372 8.035 -19.085 663 1HD LYS 52 2HD LYS 52 11.271 8.650 -19.765 664 2HD LYS 52 1HD LYS 52 11.093 9.081 -18.063 665 1HE LYS 52 2HE LYS 52 10.365 10.977 -19.365 666 2HE LYS 52 1HE LYS 52 11.923 11.393 -18.652 667 1HZ LYS 52 1HZ LYS 52 11.525 11.827 -21.146 668 2HZ LYS 52 2HZ LYS 52 11.801 10.161 -21.325 669 3HZ LYS 52 3HZ LYS 52 13.004 11.158 -20.656 670 H TYR 53 H TYR 53 13.914 7.020 -15.000 671 HA TYR 53 HA TYR 53 14.948 8.833 -12.893 672 1HB TYR 53 2HB TYR 53 12.964 6.543 -12.776 673 2HB TYR 53 1HB TYR 53 13.417 7.562 -11.424 674 HD1 TYR 53 HD1 TYR 53 12.186 7.932 -14.953 675 HD2 TYR 53 HD2 TYR 53 12.022 9.367 -10.917 676 HE1 TYR 53 HE1 TYR 53 10.423 9.525 -15.611 677 HE2 TYR 53 HE2 TYR 53 10.250 10.975 -11.574 678 HH TYR 53 HH TYR 53 9.524 11.699 -14.795 679 H VAL 54 H VAL 54 15.617 5.788 -14.394 680 HA VAL 54 HA VAL 54 17.737 5.258 -12.410 681 HB VAL 54 HB VAL 54 15.924 2.935 -13.067 682 1HG1 VAL 54 1HG1 VAL 54 17.329 3.424 -10.466 683 2HG1 VAL 54 2HG1 VAL 54 18.287 2.966 -11.874 684 3HG1 VAL 54 3HG1 VAL 54 17.006 1.901 -11.295 685 1HG2 VAL 54 1HG2 VAL 54 14.634 3.323 -11.017 686 2HG2 VAL 54 2HG2 VAL 54 14.447 4.704 -12.097 687 3HG2 VAL 54 3HG2 VAL 54 15.528 4.811 -10.708 688 H GLN 55 H GLN 55 17.728 2.364 -13.785 689 HA GLN 55 HA GLN 55 18.214 2.899 -16.571 690 1HB GLN 55 2HB GLN 55 20.371 3.434 -14.721 691 2HB GLN 55 1HB GLN 55 20.814 2.111 -15.798 692 1HG GLN 55 2HG GLN 55 20.337 3.457 -17.752 693 2HG GLN 55 1HG GLN 55 19.677 4.752 -16.753 694 1HE2 GLN 55 1HE2 GLN 55 22.723 2.801 -16.623 695 2HE2 GLN 55 2HE2 GLN 55 23.747 4.149 -16.487 696 H ILE 56 H ILE 56 17.382 1.021 -17.262 697 HA ILE 56 HA ILE 56 18.601 -1.517 -16.299 698 HB ILE 56 HB ILE 56 16.204 -2.501 -16.483 699 1HG1 ILE 56 2HG1 ILE 56 15.188 0.107 -15.513 700 2HG1 ILE 56 1HG1 ILE 56 15.555 0.050 -17.238 701 1HG2 ILE 56 1HG2 ILE 56 16.318 -0.752 -14.097 702 2HG2 ILE 56 2HG2 ILE 56 17.747 -1.743 -14.386 703 3HG2 ILE 56 3HG2 ILE 56 16.166 -2.504 -14.207 704 1HD1 ILE 56 1HD1 ILE 56 13.930 -2.106 -15.880 705 2HD1 ILE 56 2HD1 ILE 56 14.053 -1.758 -17.604 706 3HD1 ILE 56 3HD1 ILE 56 13.181 -0.654 -16.541 707 H ASP 57 H ASP 57 17.975 -3.343 -17.838 708 HA ASP 57 HA ASP 57 17.954 -2.269 -20.620 709 1HB ASP 57 2HB ASP 57 19.081 -4.729 -19.326 710 2HB ASP 57 1HB ASP 57 18.647 -4.795 -21.033 711 HA PRO 58 HA PRO 58 14.002 -4.106 -21.394 712 1HB PRO 58 2HB PRO 58 14.259 -5.025 -23.958 713 2HB PRO 58 1HB PRO 58 14.108 -3.309 -23.549 714 1HG PRO 58 2HG PRO 58 16.514 -4.853 -24.358 715 2HG PRO 58 1HG PRO 58 16.107 -3.156 -24.656 716 1HD PRO 58 2HD PRO 58 17.897 -4.052 -22.715 717 2HD PRO 58 1HD PRO 58 17.111 -2.458 -22.720 718 H GLU 59 H GLU 59 16.831 -6.098 -22.007 719 HA GLU 59 HA GLU 59 15.449 -8.628 -22.135 720 1HB GLU 59 2HB GLU 59 18.295 -7.804 -21.557 721 2HB GLU 59 1HB GLU 59 17.789 -9.487 -21.397 722 1HG GLU 59 2HG GLU 59 17.255 -7.879 -23.901 723 2HG GLU 59 1HG GLU 59 18.739 -8.806 -23.676 724 H MET 60 H MET 60 16.046 -6.420 -19.559 725 HA MET 60 HA MET 60 15.980 -8.491 -17.462 726 1HB MET 60 2HB MET 60 16.255 -5.482 -17.491 727 2HB MET 60 1HB MET 60 15.944 -6.353 -15.995 728 1HG MET 60 2HG MET 60 18.093 -7.567 -17.590 729 2HG MET 60 1HG MET 60 18.447 -5.908 -17.115 730 1HE MET 60 1HE MET 60 19.348 -5.286 -14.667 731 2HE MET 60 2HE MET 60 18.268 -5.805 -13.375 732 3HE MET 60 3HE MET 60 17.599 -5.075 -14.832 733 H VAL 61 H VAL 61 13.819 -6.321 -19.139 734 HA VAL 61 HA VAL 61 11.698 -6.723 -17.107 735 HB VAL 61 HB VAL 61 11.662 -5.057 -19.640 736 1HG1 VAL 61 1HG1 VAL 61 9.462 -5.828 -18.539 737 2HG1 VAL 61 2HG1 VAL 61 9.661 -4.096 -18.806 738 3HG1 VAL 61 3HG1 VAL 61 9.909 -4.774 -17.197 739 1HG2 VAL 61 1HG2 VAL 61 12.498 -4.471 -16.807 740 2HG2 VAL 61 2HG2 VAL 61 11.834 -3.188 -17.819 741 3HG2 VAL 61 3HG2 VAL 61 13.304 -4.028 -18.312 742 H THR 62 H THR 62 10.281 -8.386 -17.390 743 HA THR 62 HA THR 62 10.140 -9.733 -20.001 744 HB THR 62 HB THR 62 8.585 -10.566 -17.561 745 HG1 THR 62 HG1 THR 62 10.463 -11.772 -16.990 746 1HG2 THR 62 1HG2 THR 62 9.797 -11.944 -19.961 747 2HG2 THR 62 2HG2 THR 62 8.093 -11.834 -19.521 748 3HG2 THR 62 3HG2 THR 62 9.188 -12.832 -18.564 749 H VAL 63 H VAL 63 7.978 -10.261 -20.913 750 HA VAL 63 HA VAL 63 5.776 -8.469 -20.048 751 HB VAL 63 HB VAL 63 6.787 -8.603 -22.902 752 1HG1 VAL 63 1HG1 VAL 63 4.978 -7.320 -23.496 753 2HG1 VAL 63 2HG1 VAL 63 4.933 -6.483 -21.944 754 3HG1 VAL 63 3HG1 VAL 63 4.250 -8.101 -22.093 755 1HG2 VAL 63 1HG2 VAL 63 7.226 -6.668 -20.649 756 2HG2 VAL 63 2HG2 VAL 63 7.184 -6.075 -22.307 757 3HG2 VAL 63 3HG2 VAL 63 8.383 -7.278 -21.832 758 H GLN 64 H GLN 64 4.203 -9.967 -19.677 759 HA GLN 64 HA GLN 64 3.783 -12.043 -21.780 760 1HB GLN 64 2HB GLN 64 2.843 -13.479 -19.937 761 2HB GLN 64 1HB GLN 64 4.565 -13.144 -19.767 762 1HG GLN 64 2HG GLN 64 2.777 -11.170 -18.478 763 2HG GLN 64 1HG GLN 64 2.742 -12.777 -17.766 764 1HE2 GLN 64 1HE2 GLN 64 4.124 -12.725 -15.985 765 2HE2 GLN 64 2HE2 GLN 64 5.688 -12.065 -15.990 766 H LEU 65 H LEU 65 1.735 -12.099 -22.660 767 HA LEU 65 HA LEU 65 -0.275 -10.273 -21.449 768 1HB LEU 65 2HB LEU 65 -1.275 -10.282 -23.739 769 2HB LEU 65 1HB LEU 65 0.338 -9.588 -23.678 770 HG LEU 65 HG LEU 65 0.422 -12.477 -24.120 771 1HD1 LEU 65 1HD1 LEU 65 -1.060 -10.758 -26.131 772 2HD1 LEU 65 2HD1 LEU 65 -1.719 -12.131 -25.241 773 3HD1 LEU 65 3HD1 LEU 65 -0.459 -12.385 -26.450 774 1HD2 LEU 65 1HD2 LEU 65 1.902 -11.788 -25.949 775 2HD2 LEU 65 2HD2 LEU 65 2.281 -10.863 -24.496 776 3HD2 LEU 65 3HD2 LEU 65 1.347 -10.121 -25.795 777 H GLU 66 H GLU 66 -2.203 -11.085 -20.807 778 HA GLU 66 HA GLU 66 -2.857 -13.904 -21.545 779 1HB GLU 66 2HB GLU 66 -3.018 -12.515 -18.868 780 2HB GLU 66 1HB GLU 66 -3.995 -13.938 -19.215 781 1HG GLU 66 2HG GLU 66 -0.970 -13.762 -19.359 782 2HG GLU 66 1HG GLU 66 -1.894 -14.554 -18.086 783 H GLN 67 H GLN 67 -5.333 -14.255 -20.981 784 HA GLN 67 HA GLN 67 -6.943 -11.817 -21.437 785 1HB GLN 67 2HB GLN 67 -6.751 -14.113 -23.399 786 2HB GLN 67 1HB GLN 67 -8.127 -13.011 -23.368 787 1HG GLN 67 2HG GLN 67 -6.585 -11.094 -23.673 788 2HG GLN 67 1HG GLN 67 -5.226 -12.215 -23.756 789 1HE2 GLN 67 1HE2 GLN 67 -4.646 -12.040 -25.964 790 2HE2 GLN 67 2HE2 GLN 67 -5.709 -12.367 -27.246 791 H LYS 68 H LYS 68 -9.147 -12.113 -20.851 792 HA LYS 68 HA LYS 68 -9.643 -14.594 -19.278 793 1HB LYS 68 2HB LYS 68 -10.929 -11.857 -19.191 794 2HB LYS 68 1HB LYS 68 -11.507 -13.234 -18.258 795 1HG LYS 68 2HG LYS 68 -9.863 -13.012 -16.725 796 2HG LYS 68 1HG LYS 68 -8.622 -12.866 -17.967 797 1HD LYS 68 2HD LYS 68 -8.692 -10.804 -16.673 798 2HD LYS 68 1HD LYS 68 -9.296 -10.481 -18.298 799 1HE LYS 68 2HE LYS 68 -10.763 -9.429 -16.645 800 2HE LYS 68 1HE LYS 68 -11.622 -10.737 -17.459 801 1HZ LYS 68 1HZ LYS 68 -11.755 -10.614 -14.930 802 2HZ LYS 68 2HZ LYS 68 -10.161 -11.202 -14.935 803 3HZ LYS 68 3HZ LYS 68 -11.412 -12.123 -15.625 804 H ASP 69 H ASP 69 -12.012 -15.317 -19.310 805 HA ASP 69 HA ASP 69 -12.798 -15.809 -22.043 806 1HB ASP 69 2HB ASP 69 -13.798 -16.587 -19.342 807 2HB ASP 69 1HB ASP 69 -14.909 -16.734 -20.705 808 H GLY 70 H GLY 70 -13.347 -13.136 -20.040 809 1HA GLY 70 2HA GLY 70 -16.022 -12.568 -21.189 810 2HA GLY 70 1HA GLY 70 -15.246 -11.657 -19.895 811 H ASP 71 H ASP 71 -13.577 -12.552 -22.856 812 HA ASP 71 HA ASP 71 -12.615 -11.238 -24.537 813 1HB ASP 71 2HB ASP 71 -15.179 -9.762 -23.955 814 2HB ASP 71 1HB ASP 71 -14.016 -9.119 -25.113 815 H ILE 72 H ILE 72 -11.417 -10.975 -22.117 816 HA ILE 72 HA ILE 72 -10.784 -8.058 -21.990 817 HB ILE 72 HB ILE 72 -10.681 -9.957 -19.636 818 1HG1 ILE 72 2HG1 ILE 72 -12.909 -8.128 -20.590 819 2HG1 ILE 72 1HG1 ILE 72 -12.998 -9.862 -20.326 820 1HG2 ILE 72 1HG2 ILE 72 -10.602 -7.842 -18.363 821 2HG2 ILE 72 2HG2 ILE 72 -10.691 -6.933 -19.870 822 3HG2 ILE 72 3HG2 ILE 72 -9.277 -7.926 -19.521 823 1HD1 ILE 72 1HD1 ILE 72 -13.639 -9.507 -18.201 824 2HD1 ILE 72 2HD1 ILE 72 -13.516 -7.765 -18.447 825 3HD1 ILE 72 3HD1 ILE 72 -12.118 -8.676 -17.883 826 H SER 73 H SER 73 -8.532 -7.612 -21.334 827 HA SER 73 HA SER 73 -6.703 -9.882 -22.025 828 1HB SER 73 2HB SER 73 -5.984 -6.973 -22.345 829 2HB SER 73 1HB SER 73 -5.270 -8.375 -23.133 830 HG SER 73 HG SER 73 -6.655 -7.310 -24.559 831 H ILE 74 H ILE 74 -4.506 -9.642 -21.028 832 HA ILE 74 HA ILE 74 -4.407 -8.106 -18.503 833 HB ILE 74 HB ILE 74 -4.265 -11.130 -18.666 834 1HG1 ILE 74 2HG1 ILE 74 -6.126 -9.237 -17.206 835 2HG1 ILE 74 1HG1 ILE 74 -6.541 -10.258 -18.575 836 1HG2 ILE 74 1HG2 ILE 74 -3.729 -9.326 -16.285 837 2HG2 ILE 74 2HG2 ILE 74 -2.505 -10.240 -17.165 838 3HG2 ILE 74 3HG2 ILE 74 -3.756 -11.089 -16.257 839 1HD1 ILE 74 1HD1 ILE 74 -5.362 -11.900 -16.528 840 2HD1 ILE 74 2HD1 ILE 74 -6.988 -11.981 -17.205 841 3HD1 ILE 74 3HD1 ILE 74 -6.660 -10.938 -15.822 842 H LEU 75 H LEU 75 -2.634 -7.009 -19.562 843 HA LEU 75 HA LEU 75 -0.335 -8.598 -20.445 844 1HB LEU 75 2HB LEU 75 -1.105 -6.536 -21.667 845 2HB LEU 75 1HB LEU 75 -0.577 -5.591 -20.277 846 HG LEU 75 HG LEU 75 1.386 -7.534 -21.379 847 1HD1 LEU 75 1HD1 LEU 75 1.185 -4.875 -22.741 848 2HD1 LEU 75 2HD1 LEU 75 0.120 -6.173 -23.284 849 3HD1 LEU 75 3HD1 LEU 75 1.869 -6.389 -23.334 850 1HD2 LEU 75 1HD2 LEU 75 1.313 -4.901 -19.981 851 2HD2 LEU 75 2HD2 LEU 75 2.686 -5.199 -21.047 852 3HD2 LEU 75 3HD2 LEU 75 2.360 -6.293 -19.703 853 H GLU 76 H GLU 76 0.869 -9.413 -18.800 854 HA GLU 76 HA GLU 76 1.443 -7.681 -16.439 855 1HB GLU 76 2HB GLU 76 2.056 -10.630 -16.729 856 2HB GLU 76 1HB GLU 76 2.009 -9.683 -15.247 857 1HG GLU 76 2HG GLU 76 -0.355 -9.491 -15.312 858 2HG GLU 76 1HG GLU 76 -0.433 -10.003 -16.997 859 H LEU 77 H LEU 77 3.363 -6.595 -16.581 860 HA LEU 77 HA LEU 77 5.551 -7.893 -18.148 861 1HB LEU 77 2HB LEU 77 6.518 -5.569 -18.293 862 2HB LEU 77 1HB LEU 77 4.975 -5.764 -19.121 863 HG LEU 77 HG LEU 77 4.891 -4.911 -16.267 864 1HD1 LEU 77 1HD1 LEU 77 6.542 -3.369 -16.866 865 2HD1 LEU 77 2HD1 LEU 77 5.062 -2.492 -17.259 866 3HD1 LEU 77 3HD1 LEU 77 5.987 -3.279 -18.538 867 1HD2 LEU 77 1HD2 LEU 77 3.394 -3.675 -18.549 868 2HD2 LEU 77 2HD2 LEU 77 2.852 -3.990 -16.902 869 3HD2 LEU 77 3HD2 LEU 77 2.971 -5.315 -18.059 870 H ASN 78 H ASN 78 7.346 -8.505 -17.079 871 HA ASN 78 HA ASN 78 7.523 -7.996 -14.182 872 1HB ASN 78 2HB ASN 78 9.335 -9.613 -15.981 873 2HB ASN 78 1HB ASN 78 9.259 -9.679 -14.228 874 1HD2 ASN 78 1HD2 ASN 78 8.018 -11.383 -13.448 875 2HD2 ASN 78 2HD2 ASN 78 6.691 -12.066 -14.248 876 H VAL 79 H VAL 79 9.189 -6.773 -13.260 877 HA VAL 79 HA VAL 79 11.045 -5.440 -15.189 878 HB VAL 79 HB VAL 79 9.917 -4.162 -12.686 879 1HG1 VAL 79 1HG1 VAL 79 10.653 -2.117 -14.163 880 2HG1 VAL 79 2HG1 VAL 79 11.657 -3.313 -14.983 881 3HG1 VAL 79 3HG1 VAL 79 11.871 -3.016 -13.259 882 1HG2 VAL 79 1HG2 VAL 79 8.359 -2.975 -14.118 883 2HG2 VAL 79 2HG2 VAL 79 8.153 -4.701 -14.418 884 3HG2 VAL 79 3HG2 VAL 79 9.057 -3.709 -15.562 885 H THR 80 H THR 80 12.721 -6.918 -14.709 886 HA THR 80 HA THR 80 13.570 -7.381 -11.952 887 HB THR 80 HB THR 80 14.990 -7.996 -14.565 888 HG1 THR 80 HG1 THR 80 14.107 -10.079 -14.188 889 1HG2 THR 80 1HG2 THR 80 15.375 -9.176 -11.799 890 2HG2 THR 80 2HG2 THR 80 16.436 -7.968 -12.522 891 3HG2 THR 80 3HG2 THR 80 16.299 -9.569 -13.249 892 H LEU 81 H LEU 81 14.167 -5.387 -11.048 893 HA LEU 81 HA LEU 81 16.016 -3.615 -12.484 894 1HB LEU 81 2HB LEU 81 14.781 -3.526 -9.716 895 2HB LEU 81 1HB LEU 81 15.863 -2.289 -10.343 896 HG LEU 81 HG LEU 81 13.513 -3.080 -12.012 897 1HD1 LEU 81 1HD1 LEU 81 12.159 -1.341 -10.795 898 2HD1 LEU 81 2HD1 LEU 81 13.403 -1.320 -9.546 899 3HD1 LEU 81 3HD1 LEU 81 12.475 -2.791 -9.842 900 1HD2 LEU 81 1HD2 LEU 81 14.340 -0.264 -11.515 901 2HD2 LEU 81 2HD2 LEU 81 13.903 -1.058 -13.029 902 3HD2 LEU 81 3HD2 LEU 81 15.513 -1.286 -12.347 903 HA PRO 82 HA PRO 82 19.564 -5.635 -10.623 904 1HB PRO 82 2HB PRO 82 21.458 -3.829 -11.399 905 2HB PRO 82 1HB PRO 82 20.726 -5.008 -12.498 906 1HG PRO 82 2HG PRO 82 20.301 -2.094 -12.321 907 2HG PRO 82 1HG PRO 82 20.086 -3.186 -13.695 908 1HD PRO 82 2HD PRO 82 18.041 -2.122 -12.042 909 2HD PRO 82 1HD PRO 82 17.865 -3.391 -13.273 910 H GLU 83 H GLU 83 21.670 -4.648 -9.357 911 HA GLU 83 HA GLU 83 20.752 -3.759 -6.836 912 1HB GLU 83 2HB GLU 83 23.408 -3.932 -8.179 913 2HB GLU 83 1HB GLU 83 23.299 -2.961 -6.713 914 1HG GLU 83 2HG GLU 83 22.656 -4.785 -5.391 915 2HG GLU 83 1HG GLU 83 22.117 -5.724 -6.783 916 H ALA 84 H ALA 84 20.795 -1.716 -5.819 917 HA ALA 84 HA ALA 84 21.771 0.681 -6.976 918 1HB ALA 84 1HB ALA 84 19.653 -0.089 -8.445 919 2HB ALA 84 2HB ALA 84 20.003 1.610 -8.125 920 3HB ALA 84 3HB ALA 84 18.797 0.762 -7.158 921 H GLU 85 H GLU 85 21.975 2.034 -5.253 922 HA GLU 85 HA GLU 85 19.900 2.614 -3.386 923 1HB GLU 85 2HB GLU 85 20.907 1.508 -1.370 924 2HB GLU 85 1HB GLU 85 20.257 0.361 -2.542 925 1HG GLU 85 2HG GLU 85 22.562 0.128 -3.504 926 2HG GLU 85 1HG GLU 85 23.165 1.143 -2.195 927 H GLU 86 H GLU 86 21.456 4.321 -4.736 928 HA GLU 86 HA GLU 86 22.876 6.170 -4.483 929 1HB GLU 86 2HB GLU 86 21.476 6.093 -2.214 930 2HB GLU 86 1HB GLU 86 23.059 5.713 -1.533 931 1HG GLU 86 2HG GLU 86 23.975 7.762 -2.164 932 2HG GLU 86 1HG GLU 86 22.795 8.006 -3.453 933 H LEU 87 H LEU 87 24.027 3.520 -4.895 934 HA LEU 87 HA LEU 87 26.743 4.081 -3.813 935 1HB LEU 87 2HB LEU 87 25.089 1.636 -3.392 936 2HB LEU 87 1HB LEU 87 26.803 1.394 -3.736 937 HG LEU 87 HG LEU 87 25.914 3.393 -1.663 938 1HD1 LEU 87 1HD1 LEU 87 25.934 0.420 -1.511 939 2HD1 LEU 87 2HD1 LEU 87 24.967 1.587 -0.607 940 3HD1 LEU 87 3HD1 LEU 87 26.644 1.286 -0.147 941 1HD2 LEU 87 1HD2 LEU 87 28.145 3.268 -0.932 942 2HD2 LEU 87 2HD2 LEU 87 28.308 3.140 -2.683 943 3HD2 LEU 87 3HD2 LEU 87 28.401 1.692 -1.681 944 H LYS 88 HN LYS 88 28.301 3.854 -5.366 945 HA LYS 88 HA LYS 88 27.544 2.431 -7.888 946 1HB LYS 88 2HB LYS 88 28.815 5.120 -7.463 947 2HB LYS 88 1HB LYS 88 29.215 4.192 -8.908 948 1HG LYS 88 2HG LYS 88 27.081 4.349 -9.773 949 2HG LYS 88 1HG LYS 88 26.331 4.447 -8.179 950 1HD LYS 88 2HD LYS 88 26.102 6.632 -9.065 951 2HD LYS 88 1HD LYS 88 27.486 6.744 -7.976 952 1HE LYS 88 2HE LYS 88 28.818 6.065 -10.182 953 2HE LYS 88 1HE LYS 88 27.415 6.794 -10.964 954 1HZ LYS 88 1HZ LYS 88 28.814 8.180 -8.768 955 2HZ LYS 88 2HZ LYS 88 27.820 8.835 -9.982 956 3HZ LYS 88 3HZ LYS 88 29.384 8.289 -10.362 Start of MODEL 16 1 1H ARG 31 1H ARG 31 3.150 1.139 2.442 2 2H ARG 31 2H ARG 31 4.812 1.368 2.710 3 3H ARG 31 3H ARG 31 4.115 -0.164 2.941 4 HA ARG 31 HA ARG 31 3.834 -0.540 0.679 5 1HB ARG 31 2HB ARG 31 4.304 1.355 -0.964 6 2HB ARG 31 1HB ARG 31 2.828 1.514 -0.016 7 1HG ARG 31 2HG ARG 31 5.227 2.686 1.252 8 2HG ARG 31 1HG ARG 31 4.734 3.472 -0.246 9 1HD ARG 31 2HD ARG 31 2.332 3.066 1.129 10 2HD ARG 31 1HD ARG 31 3.473 3.555 2.381 11 HE ARG 31 HE ARG 31 3.535 5.701 1.414 12 1HH1 ARG 31 1HH2 ARG 31 2.164 3.402 -0.838 13 2HH1 ARG 31 2HH2 ARG 31 1.723 4.628 -1.975 14 1HH2 ARG 31 1HH1 ARG 31 2.946 7.253 -0.085 15 2HH2 ARG 31 2HH1 ARG 31 2.160 6.785 -1.556 16 H SER 32 H SER 32 5.581 -1.794 0.333 17 HA SER 32 HA SER 32 8.237 -1.177 1.135 18 1HB SER 32 2HB SER 32 7.524 -3.059 -1.115 19 2HB SER 32 1HB SER 32 8.892 -3.159 -0.010 20 HG SER 32 HG SER 32 7.632 -3.999 1.473 21 H ASP 33 H ASP 33 6.448 -0.160 -1.654 22 HA ASP 33 HA ASP 33 8.828 0.393 -3.253 23 1HB ASP 33 2HB ASP 33 5.981 1.284 -3.728 24 2HB ASP 33 1HB ASP 33 7.293 1.269 -4.905 25 H ALA 34 H ALA 34 7.916 1.844 -0.532 26 HA ALA 34 HA ALA 34 7.966 4.618 -1.484 27 1HB ALA 34 1HB ALA 34 6.469 4.420 0.291 28 2HB ALA 34 2HB ALA 34 7.923 4.989 1.112 29 3HB ALA 34 3HB ALA 34 7.497 3.277 1.156 30 H GLU 35 H GLU 35 10.296 2.320 -0.938 31 HA GLU 35 HA GLU 35 12.206 3.948 0.541 32 1HB GLU 35 2HB GLU 35 12.728 1.418 -1.041 33 2HB GLU 35 1HB GLU 35 13.749 2.115 0.211 34 1HG GLU 35 2HG GLU 35 10.967 1.645 1.072 35 2HG GLU 35 1HG GLU 35 11.841 0.177 0.641 36 HA PRO 36 HA PRO 36 14.172 4.499 -3.801 37 1HB PRO 36 2HB PRO 36 12.751 3.733 -6.000 38 2HB PRO 36 1HB PRO 36 13.828 2.646 -5.113 39 1HG PRO 36 2HG PRO 36 10.892 2.680 -5.232 40 2HG PRO 36 1HG PRO 36 11.990 1.361 -4.805 41 1HD PRO 36 2HD PRO 36 10.481 3.011 -3.028 42 2HD PRO 36 1HD PRO 36 11.639 1.748 -2.600 43 H HIS 37 H HIS 37 10.628 4.829 -3.968 44 HA HIS 37 HA HIS 37 9.291 6.717 -4.285 45 1HB HIS 37 2HB HIS 37 11.224 7.861 -2.972 46 2HB HIS 37 1HB HIS 37 11.738 8.455 -4.552 47 HD1 HIS 37 HD1 HIS 37 10.844 10.741 -4.941 48 HD2 HIS 37 HD2 HIS 37 8.125 8.387 -2.834 49 HE1 HIS 37 HE1 HIS 37 8.793 12.180 -4.564 50 H TYR 38 H TYR 38 11.338 5.410 -6.524 51 HA TYR 38 HA TYR 38 10.261 7.178 -8.673 52 1HB TYR 38 2HB TYR 38 12.250 6.342 -10.035 53 2HB TYR 38 1HB TYR 38 12.631 7.462 -8.730 54 HD1 TYR 38 HD1 TYR 38 12.644 3.887 -9.737 55 HD2 TYR 38 HD2 TYR 38 13.954 6.785 -6.850 56 HE1 TYR 38 HE1 TYR 38 14.187 2.212 -8.756 57 HE2 TYR 38 HE2 TYR 38 15.496 5.109 -5.866 58 HH TYR 38 HH TYR 38 15.748 2.693 -5.746 59 H LEU 39 H LEU 39 10.947 3.886 -7.608 60 HA LEU 39 HA LEU 39 10.203 2.431 -9.896 61 1HB LEU 39 2HB LEU 39 10.720 1.884 -7.164 62 2HB LEU 39 1HB LEU 39 9.158 1.152 -7.519 63 HG LEU 39 HG LEU 39 10.942 -0.457 -7.995 64 1HD1 LEU 39 1HD1 LEU 39 10.237 0.394 -10.763 65 2HD1 LEU 39 2HD1 LEU 39 8.896 0.070 -9.665 66 3HD1 LEU 39 3HD1 LEU 39 10.084 -1.189 -9.999 67 1HD2 LEU 39 1HD2 LEU 39 12.343 0.405 -10.172 68 2HD2 LEU 39 2HD2 LEU 39 12.922 0.554 -8.514 69 3HD2 LEU 39 3HD2 LEU 39 12.134 1.922 -9.298 70 HA PRO 40 HA PRO 40 5.601 2.627 -8.445 71 1HB PRO 40 2HB PRO 40 4.941 4.479 -6.540 72 2HB PRO 40 1HB PRO 40 5.373 2.801 -6.179 73 1HG PRO 40 2HG PRO 40 6.975 5.275 -5.846 74 2HG PRO 40 1HG PRO 40 6.994 3.778 -4.907 75 1HD PRO 40 2HD PRO 40 8.882 4.491 -6.817 76 2HD PRO 40 1HD PRO 40 8.609 2.839 -6.224 77 H GLN 41 H GLN 41 7.604 5.401 -8.920 78 HA GLN 41 HA GLN 41 5.490 7.193 -9.837 79 1HB GLN 41 2HB GLN 41 7.625 8.068 -8.932 80 2HB GLN 41 1HB GLN 41 8.502 7.280 -10.243 81 1HG GLN 41 2HG GLN 41 8.182 9.622 -10.816 82 2HG GLN 41 1HG GLN 41 7.174 8.637 -11.877 83 1HE2 GLN 41 1HE2 GLN 41 5.447 10.132 -12.213 84 2HE2 GLN 41 2HE2 GLN 41 4.463 10.709 -10.956 85 H LEU 42 H LEU 42 7.683 4.821 -11.228 86 HA LEU 42 HA LEU 42 7.117 5.534 -13.971 87 1HB LEU 42 2HB LEU 42 8.365 3.058 -12.754 88 2HB LEU 42 1HB LEU 42 8.280 3.379 -14.469 89 HG LEU 42 HG LEU 42 10.170 4.594 -14.392 90 1HD1 LEU 42 1HD1 LEU 42 8.769 6.567 -13.634 91 2HD1 LEU 42 2HD1 LEU 42 10.463 6.626 -13.156 92 3HD1 LEU 42 3HD1 LEU 42 9.237 6.167 -11.982 93 1HD2 LEU 42 1HD2 LEU 42 11.360 4.664 -12.059 94 2HD2 LEU 42 2HD2 LEU 42 11.120 3.116 -12.870 95 3HD2 LEU 42 3HD2 LEU 42 10.039 3.604 -11.566 96 H ARG 43 H ARG 43 6.017 2.984 -11.721 97 HA ARG 43 HA ARG 43 4.408 1.575 -13.605 98 1HB ARG 43 2HB ARG 43 3.311 0.574 -11.690 99 2HB ARG 43 1HB ARG 43 5.019 0.718 -11.336 100 1HG ARG 43 2HG ARG 43 4.558 2.809 -10.083 101 2HG ARG 43 1HG ARG 43 2.836 2.577 -10.369 102 1HD ARG 43 2HD ARG 43 3.025 0.330 -9.254 103 2HD ARG 43 1HD ARG 43 4.684 0.745 -8.819 104 HE ARG 43 HE ARG 43 2.864 2.814 -7.971 105 1HH1 ARG 43 1HH2 ARG 43 3.990 -0.400 -7.177 106 2HH1 ARG 43 2HH2 ARG 43 3.634 -0.217 -5.495 107 1HH2 ARG 43 2HH1 ARG 43 2.418 3.006 -5.787 108 2HH2 ARG 43 1HH1 ARG 43 2.753 1.689 -4.714 109 H LYS 44 H LYS 44 3.628 4.304 -11.424 110 HA LYS 44 HA LYS 44 0.889 4.430 -12.208 111 1HB LYS 44 2HB LYS 44 0.870 6.633 -11.172 112 2HB LYS 44 1HB LYS 44 1.803 5.541 -10.162 113 1HG LYS 44 2HG LYS 44 3.883 6.424 -11.077 114 2HG LYS 44 1HG LYS 44 2.994 7.455 -12.189 115 1HD LYS 44 2HD LYS 44 3.698 8.780 -10.266 116 2HD LYS 44 1HD LYS 44 1.945 8.596 -10.233 117 1HE LYS 44 2HE LYS 44 2.155 6.752 -8.614 118 2HE LYS 44 1HE LYS 44 3.911 6.904 -8.660 119 1HZ LYS 44 1HZ LYS 44 3.516 9.302 -7.992 120 2HZ LYS 44 2HZ LYS 44 3.248 8.120 -6.801 121 3HZ LYS 44 3HZ LYS 44 1.932 8.831 -7.608 122 H ASP 45 H ASP 45 3.881 5.681 -13.568 123 HA ASP 45 HA ASP 45 2.726 7.521 -15.421 124 1HB ASP 45 2HB ASP 45 5.307 5.957 -15.433 125 2HB ASP 45 1HB ASP 45 4.882 7.080 -16.714 126 H ILE 46 H ILE 46 3.626 4.059 -15.734 127 HA ILE 46 HA ILE 46 2.790 3.791 -18.450 128 HB ILE 46 HB ILE 46 4.170 2.116 -17.140 129 1HG1 ILE 46 2HG1 ILE 46 1.741 0.990 -18.559 130 2HG1 ILE 46 1HG1 ILE 46 3.135 1.693 -19.378 131 1HG2 ILE 46 1HG2 ILE 46 1.588 1.766 -15.731 132 2HG2 ILE 46 2HG2 ILE 46 3.226 1.454 -15.187 133 3HG2 ILE 46 3HG2 ILE 46 2.401 0.281 -16.204 134 1HD1 ILE 46 1HD1 ILE 46 4.538 -0.057 -18.791 135 2HD1 ILE 46 2HD1 ILE 46 3.007 -0.919 -18.949 136 3HD1 ILE 46 3HD1 ILE 46 3.605 -0.464 -17.352 137 H LEU 47 H LEU 47 0.973 3.857 -15.451 138 HA LEU 47 HA LEU 47 -1.486 2.794 -16.492 139 1HB LEU 47 2HB LEU 47 -0.766 4.528 -14.133 140 2HB LEU 47 1HB LEU 47 -2.450 4.222 -14.538 141 HG LEU 47 HG LEU 47 -0.539 1.917 -14.338 142 1HD1 LEU 47 1HD1 LEU 47 -0.094 2.653 -12.207 143 2HD1 LEU 47 2HD1 LEU 47 -1.648 1.884 -11.885 144 3HD1 LEU 47 3HD1 LEU 47 -1.561 3.629 -12.126 145 1HD2 LEU 47 1HD2 LEU 47 -2.654 1.265 -15.141 146 2HD2 LEU 47 2HD2 LEU 47 -3.504 2.401 -14.095 147 3HD2 LEU 47 3HD2 LEU 47 -2.777 0.946 -13.411 148 H GLU 48 H GLU 48 -0.253 6.105 -16.039 149 HA GLU 48 HA GLU 48 -2.495 7.403 -17.292 150 1HB GLU 48 2HB GLU 48 0.342 8.453 -17.210 151 2HB GLU 48 1HB GLU 48 -1.145 9.390 -17.325 152 1HG GLU 48 2HG GLU 48 -0.359 7.681 -14.959 153 2HG GLU 48 1HG GLU 48 -0.180 9.425 -15.052 154 H VAL 49 H VAL 49 0.611 6.154 -18.384 155 HA VAL 49 HA VAL 49 0.539 7.172 -21.023 156 HB VAL 49 HB VAL 49 1.743 4.574 -20.004 157 1HG1 VAL 49 1HG1 VAL 49 3.269 5.460 -22.146 158 2HG1 VAL 49 2HG1 VAL 49 1.620 5.780 -22.680 159 3HG1 VAL 49 3HG1 VAL 49 2.090 4.151 -22.202 160 1HG2 VAL 49 1HG2 VAL 49 3.537 5.793 -19.295 161 2HG2 VAL 49 2HG2 VAL 49 2.393 7.134 -19.271 162 3HG2 VAL 49 3HG2 VAL 49 3.450 6.902 -20.663 163 H ILE 50 H ILE 50 -0.517 3.947 -19.815 164 HA ILE 50 HA ILE 50 -1.734 3.073 -22.240 165 HB ILE 50 HB ILE 50 -2.625 2.449 -19.408 166 1HG1 ILE 50 2HG1 ILE 50 -0.878 0.650 -21.040 167 2HG1 ILE 50 1HG1 ILE 50 -0.131 2.045 -20.260 168 1HG2 ILE 50 1HG2 ILE 50 -4.215 1.824 -21.242 169 2HG2 ILE 50 2HG2 ILE 50 -3.566 0.428 -20.383 170 3HG2 ILE 50 3HG2 ILE 50 -2.931 0.859 -21.971 171 1HD1 ILE 50 1HD1 ILE 50 -0.039 0.072 -18.787 172 2HD1 ILE 50 2HD1 ILE 50 -1.795 -0.076 -18.869 173 3HD1 ILE 50 3HD1 ILE 50 -1.064 1.325 -18.087 174 H CYS 51 H CYS 51 -2.737 5.445 -19.901 175 HA CYS 51 HA CYS 51 -5.524 5.487 -20.669 176 1HB CYS 51 2HB CYS 51 -4.456 6.357 -18.473 177 2HB CYS 51 1HB CYS 51 -4.033 7.788 -19.412 178 HG CYS 51 HG CYS 51 -6.518 7.841 -18.205 179 H LYS 52 H LYS 52 -2.672 7.480 -21.432 180 HA LYS 52 HA LYS 52 -3.925 9.370 -23.128 181 1HB LYS 52 2HB LYS 52 -1.146 8.207 -23.458 182 2HB LYS 52 1HB LYS 52 -1.720 9.729 -24.130 183 1HG LYS 52 2HG LYS 52 -1.792 10.775 -22.035 184 2HG LYS 52 1HG LYS 52 -1.845 9.242 -21.163 185 1HD LYS 52 2HD LYS 52 0.384 9.693 -20.850 186 2HD LYS 52 1HD LYS 52 0.517 8.936 -22.438 187 1HE LYS 52 2HE LYS 52 1.705 10.961 -22.680 188 2HE LYS 52 1HE LYS 52 0.126 11.309 -23.386 189 1HZ LYS 52 1HZ LYS 52 0.627 13.092 -21.953 190 2HZ LYS 52 2HZ LYS 52 1.121 12.060 -20.697 191 3HZ LYS 52 3HZ LYS 52 -0.519 12.154 -21.129 192 H TYR 53 H TYR 53 -2.877 6.076 -23.764 193 HA TYR 53 HA TYR 53 -3.627 6.350 -26.621 194 1HB TYR 53 2HB TYR 53 -2.197 4.131 -25.127 195 2HB TYR 53 1HB TYR 53 -2.511 4.155 -26.851 196 HD1 TYR 53 HD1 TYR 53 -1.011 6.414 -24.246 197 HD2 TYR 53 HD2 TYR 53 -0.765 4.850 -28.230 198 HE1 TYR 53 HE1 TYR 53 1.100 7.642 -24.579 199 HE2 TYR 53 HE2 TYR 53 1.359 6.086 -28.570 200 HH TYR 53 HH TYR 53 2.399 8.301 -27.451 201 H VAL 54 H VAL 54 -4.825 5.107 -23.618 202 HA VAL 54 HA VAL 54 -7.135 3.916 -25.021 203 HB VAL 54 HB VAL 54 -5.823 2.203 -22.911 204 1HG1 VAL 54 1HG1 VAL 54 -7.311 1.325 -25.378 205 2HG1 VAL 54 2HG1 VAL 54 -8.187 1.916 -23.965 206 3HG1 VAL 54 3HG1 VAL 54 -7.150 0.496 -23.830 207 1HG2 VAL 54 1HG2 VAL 54 -5.171 2.102 -25.879 208 2HG2 VAL 54 2HG2 VAL 54 -4.628 0.945 -24.663 209 3HG2 VAL 54 3HG2 VAL 54 -4.056 2.612 -24.612 210 H GLN 55 H GLN 55 -7.665 2.588 -22.155 211 HA GLN 55 HA GLN 55 -7.836 4.801 -20.338 212 1HB GLN 55 2HB GLN 55 -9.926 4.578 -22.330 213 2HB GLN 55 1HB GLN 55 -10.596 4.360 -20.715 214 1HG GLN 55 2HG GLN 55 -9.894 6.479 -19.996 215 2HG GLN 55 1HG GLN 55 -8.673 6.608 -21.264 216 1HE2 GLN 55 1HE2 GLN 55 -12.260 6.137 -21.097 217 2HE2 GLN 55 2HE2 GLN 55 -12.603 7.232 -22.347 218 H ILE 56 H ILE 56 -7.392 3.564 -18.610 219 HA ILE 56 HA ILE 56 -9.297 1.391 -17.904 220 HB ILE 56 HB ILE 56 -7.213 0.127 -17.007 221 1HG1 ILE 56 2HG1 ILE 56 -5.688 1.222 -19.293 222 2HG1 ILE 56 1HG1 ILE 56 -5.879 2.341 -17.943 223 1HG2 ILE 56 1HG2 ILE 56 -8.751 -0.188 -19.193 224 2HG2 ILE 56 2HG2 ILE 56 -7.392 -1.247 -18.822 225 3HG2 ILE 56 3HG2 ILE 56 -7.192 0.072 -19.976 226 1HD1 ILE 56 1HD1 ILE 56 -3.888 1.104 -17.476 227 2HD1 ILE 56 2HD1 ILE 56 -4.655 -0.426 -17.902 228 3HD1 ILE 56 3HD1 ILE 56 -5.130 0.419 -16.429 229 H ASP 57 H ASP 57 -8.966 0.773 -15.536 230 HA ASP 57 HA ASP 57 -8.441 3.261 -13.989 231 1HB ASP 57 2HB ASP 57 -10.118 0.815 -13.554 232 2HB ASP 57 1HB ASP 57 -9.541 1.703 -12.145 233 HA PRO 58 HA PRO 58 -4.843 1.515 -12.092 234 1HB PRO 58 2HB PRO 58 -5.020 2.426 -9.519 235 2HB PRO 58 1HB PRO 58 -4.595 3.460 -10.891 236 1HG PRO 58 2HG PRO 58 -7.154 3.265 -9.396 237 2HG PRO 58 1HG PRO 58 -6.417 4.661 -10.197 238 1HD PRO 58 2HD PRO 58 -8.520 3.142 -11.231 239 2HD PRO 58 1HD PRO 58 -7.468 4.215 -12.181 240 H GLU 59 H GLU 59 -7.925 0.937 -10.509 241 HA GLU 59 HA GLU 59 -7.028 -1.210 -8.796 242 1HB GLU 59 2HB GLU 59 -9.728 -0.386 -9.878 243 2HB GLU 59 1HB GLU 59 -9.529 -1.822 -8.871 244 1HG GLU 59 2HG GLU 59 -9.991 -0.207 -7.259 245 2HG GLU 59 1HG GLU 59 -8.227 -0.165 -7.286 246 H MET 60 H MET 60 -7.439 -0.957 -12.202 247 HA MET 60 HA MET 60 -8.003 -3.824 -12.587 248 1HB MET 60 2HB MET 60 -7.694 -1.433 -14.396 249 2HB MET 60 1HB MET 60 -7.653 -3.062 -15.059 250 1HG MET 60 2HG MET 60 -9.866 -2.542 -13.159 251 2HG MET 60 1HG MET 60 -9.949 -1.632 -14.667 252 1HE MET 60 1HE MET 60 -9.929 -4.135 -17.433 253 2HE MET 60 2HE MET 60 -9.208 -2.654 -16.807 254 3HE MET 60 3HE MET 60 -10.959 -2.781 -16.947 255 H VAL 61 H VAL 61 -5.262 -1.720 -12.323 256 HA VAL 61 HA VAL 61 -3.510 -3.696 -13.681 257 HB VAL 61 HB VAL 61 -2.847 -0.932 -12.621 258 1HG1 VAL 61 1HG1 VAL 61 -0.740 -1.190 -13.534 259 2HG1 VAL 61 2HG1 VAL 61 -1.293 -2.342 -14.750 260 3HG1 VAL 61 3HG1 VAL 61 -1.063 -2.863 -13.081 261 1HG2 VAL 61 1HG2 VAL 61 -2.739 -0.719 -15.322 262 2HG2 VAL 61 2HG2 VAL 61 -4.185 -0.339 -14.387 263 3HG2 VAL 61 3HG2 VAL 61 -4.029 -1.913 -15.168 264 H THR 62 H THR 62 -2.308 -5.084 -12.458 265 HA THR 62 HA THR 62 -2.283 -4.722 -9.532 266 HB THR 62 HB THR 62 -1.133 -7.091 -10.989 267 HG1 THR 62 HG1 THR 62 -3.165 -7.963 -11.079 268 1HG2 THR 62 1HG2 THR 62 -2.386 -6.599 -8.283 269 2HG2 THR 62 2HG2 THR 62 -0.729 -7.087 -8.633 270 3HG2 THR 62 3HG2 THR 62 -2.056 -8.216 -8.905 271 H VAL 63 H VAL 63 -0.208 -5.109 -8.367 272 HA VAL 63 HA VAL 63 2.247 -4.630 -9.962 273 HB VAL 63 HB VAL 63 1.464 -2.914 -7.592 274 1HG1 VAL 63 1HG1 VAL 63 3.768 -2.790 -7.596 275 2HG1 VAL 63 2HG1 VAL 63 3.438 -1.576 -8.831 276 3HG1 VAL 63 3HG1 VAL 63 3.890 -3.213 -9.304 277 1HG2 VAL 63 1HG2 VAL 63 0.052 -2.322 -9.457 278 2HG2 VAL 63 2HG2 VAL 63 1.419 -2.368 -10.570 279 3HG2 VAL 63 3HG2 VAL 63 1.322 -1.103 -9.344 280 H GLN 64 H GLN 64 3.405 -6.407 -9.311 281 HA GLN 64 HA GLN 64 3.564 -6.910 -6.371 282 1HB GLN 64 2HB GLN 64 3.945 -9.319 -6.951 283 2HB GLN 64 1HB GLN 64 2.346 -8.739 -7.416 284 1HG GLN 64 2HG GLN 64 4.322 -8.317 -9.534 285 2HG GLN 64 1HG GLN 64 4.181 -10.014 -9.091 286 1HE2 GLN 64 1HE2 GLN 64 3.150 -10.247 -11.309 287 2HE2 GLN 64 2HE2 GLN 64 1.501 -9.884 -11.477 288 H LEU 65 H LEU 65 5.644 -7.069 -5.528 289 HA LEU 65 HA LEU 65 7.870 -6.763 -7.483 290 1HB LEU 65 2HB LEU 65 9.093 -5.799 -5.500 291 2HB LEU 65 1HB LEU 65 7.730 -4.838 -6.056 292 HG LEU 65 HG LEU 65 7.107 -6.891 -4.006 293 1HD1 LEU 65 1HD1 LEU 65 8.711 -4.397 -3.357 294 2HD1 LEU 65 2HD1 LEU 65 9.263 -6.061 -3.167 295 3HD1 LEU 65 3HD1 LEU 65 7.944 -5.450 -2.168 296 1HD2 LEU 65 1HD2 LEU 65 6.459 -3.934 -4.117 297 2HD2 LEU 65 2HD2 LEU 65 5.587 -5.197 -3.247 298 3HD2 LEU 65 3HD2 LEU 65 5.537 -5.145 -5.009 299 H GLU 66 H GLU 66 9.921 -7.780 -6.875 300 HA GLU 66 HA GLU 66 9.817 -9.978 -4.906 301 1HB GLU 66 2HB GLU 66 10.062 -10.365 -7.892 302 2HB GLU 66 1HB GLU 66 10.725 -11.546 -6.763 303 1HG GLU 66 2HG GLU 66 7.843 -10.606 -6.848 304 2HG GLU 66 1HG GLU 66 8.430 -12.136 -7.496 305 H GLN 67 H GLN 67 12.136 -11.072 -4.912 306 HA GLN 67 HA GLN 67 14.243 -9.249 -5.906 307 1HB GLN 67 2HB GLN 67 13.748 -9.777 -2.961 308 2HB GLN 67 1HB GLN 67 15.269 -9.138 -3.584 309 1HG GLN 67 2HG GLN 67 14.059 -7.229 -4.582 310 2HG GLN 67 1HG GLN 67 12.541 -7.863 -3.948 311 1HE2 GLN 67 1HE2 GLN 67 11.964 -6.608 -2.172 312 2HE2 GLN 67 2HE2 GLN 67 13.026 -6.114 -0.944 313 H LYS 68 H LYS 68 16.360 -10.218 -5.871 314 HA LYS 68 HA LYS 68 16.292 -13.195 -5.618 315 1HB LYS 68 2HB LYS 68 17.858 -11.289 -7.323 316 2HB LYS 68 1HB LYS 68 18.554 -12.854 -6.938 317 1HG LYS 68 2HG LYS 68 17.344 -13.760 -8.598 318 2HG LYS 68 1HG LYS 68 15.879 -13.365 -7.705 319 1HD LYS 68 2HD LYS 68 17.291 -11.365 -9.492 320 2HD LYS 68 1HD LYS 68 16.003 -12.419 -10.074 321 1HE LYS 68 2HE LYS 68 15.784 -10.433 -7.806 322 2HE LYS 68 1HE LYS 68 15.110 -10.255 -9.420 323 1HZ LYS 68 1HZ LYS 68 13.367 -11.068 -8.095 324 2HZ LYS 68 2HZ LYS 68 14.353 -12.222 -7.343 325 3HZ LYS 68 3HZ LYS 68 13.914 -12.415 -8.967 326 H ASP 69 H ASP 69 18.602 -14.068 -5.065 327 HA ASP 69 HA ASP 69 19.379 -12.903 -2.511 328 1HB ASP 69 2HB ASP 69 19.257 -15.403 -3.054 329 2HB ASP 69 1HB ASP 69 20.759 -15.171 -3.949 330 H GLY 70 H GLY 70 20.276 -12.282 -5.719 331 1HA GLY 70 2HA GLY 70 23.087 -11.630 -5.032 332 2HA GLY 70 1HA GLY 70 22.399 -11.631 -6.655 333 H ASP 71 H ASP 71 20.842 -10.080 -3.913 334 HA ASP 71 HA ASP 71 20.299 -7.843 -3.509 335 1HB ASP 71 2HB ASP 71 23.013 -7.610 -4.799 336 2HB ASP 71 1HB ASP 71 22.092 -6.167 -4.384 337 H ILE 72 H ILE 72 18.911 -8.933 -5.553 338 HA ILE 72 HA ILE 72 18.778 -6.710 -7.545 339 HB ILE 72 HB ILE 72 18.091 -9.586 -8.150 340 1HG1 ILE 72 2HG1 ILE 72 20.707 -8.100 -8.520 341 2HG1 ILE 72 1HG1 ILE 72 20.445 -9.569 -7.596 342 1HG2 ILE 72 1HG2 ILE 72 17.115 -7.722 -9.533 343 2HG2 ILE 72 2HG2 ILE 72 18.135 -8.831 -10.450 344 3HG2 ILE 72 3HG2 ILE 72 18.760 -7.256 -9.964 345 1HD1 ILE 72 1HD1 ILE 72 20.754 -9.223 -10.526 346 2HD1 ILE 72 2HD1 ILE 72 19.536 -10.389 -10.013 347 3HD1 ILE 72 3HD1 ILE 72 21.212 -10.579 -9.497 348 H SER 73 H SER 73 16.613 -6.211 -8.267 349 HA SER 73 HA SER 73 14.466 -7.361 -6.527 350 1HB SER 73 2HB SER 73 15.048 -4.504 -7.277 351 2HB SER 73 1HB SER 73 13.413 -5.002 -6.850 352 HG SER 73 HG SER 73 15.393 -4.411 -5.227 353 H ILE 74 H ILE 74 12.259 -7.018 -7.492 354 HA ILE 74 HA ILE 74 12.254 -6.898 -10.454 355 HB ILE 74 HB ILE 74 11.150 -9.156 -8.781 356 1HG1 ILE 74 2HG1 ILE 74 13.320 -8.915 -10.865 357 2HG1 ILE 74 1HG1 ILE 74 13.476 -9.410 -9.188 358 1HG2 ILE 74 1HG2 ILE 74 9.506 -8.645 -10.499 359 2HG2 ILE 74 2HG2 ILE 74 10.371 -10.100 -10.984 360 3HG2 ILE 74 3HG2 ILE 74 10.765 -8.551 -11.730 361 1HD1 ILE 74 1HD1 ILE 74 13.598 -11.376 -10.654 362 2HD1 ILE 74 2HD1 ILE 74 12.040 -10.958 -11.366 363 3HD1 ILE 74 3HD1 ILE 74 12.133 -11.445 -9.674 364 H LEU 75 H LEU 75 9.971 -6.628 -11.262 365 HA LEU 75 HA LEU 75 7.924 -5.973 -9.301 366 1HB LEU 75 2HB LEU 75 9.349 -3.882 -9.508 367 2HB LEU 75 1HB LEU 75 8.824 -3.786 -11.188 368 HG LEU 75 HG LEU 75 6.618 -4.181 -9.268 369 1HD1 LEU 75 1HD1 LEU 75 6.894 -1.490 -8.959 370 2HD1 LEU 75 2HD1 LEU 75 8.584 -1.992 -8.922 371 3HD1 LEU 75 3HD1 LEU 75 7.438 -2.670 -7.767 372 1HD2 LEU 75 1HD2 LEU 75 6.968 -1.942 -11.259 373 2HD2 LEU 75 2HD2 LEU 75 5.482 -2.741 -10.747 374 3HD2 LEU 75 3HD2 LEU 75 6.614 -3.580 -11.806 375 H GLU 76 H GLU 76 6.556 -7.425 -10.278 376 HA GLU 76 HA GLU 76 6.088 -7.228 -13.203 377 1HB GLU 76 2HB GLU 76 4.853 -9.204 -11.273 378 2HB GLU 76 1HB GLU 76 4.980 -9.346 -13.025 379 1HG GLU 76 2HG GLU 76 7.381 -9.593 -12.900 380 2HG GLU 76 1HG GLU 76 7.378 -9.220 -11.177 381 H LEU 77 H LEU 77 4.643 -5.595 -13.655 382 HA LEU 77 HA LEU 77 2.308 -5.279 -11.846 383 1HB LEU 77 2HB LEU 77 1.897 -3.167 -13.141 384 2HB LEU 77 1HB LEU 77 3.447 -3.194 -12.305 385 HG LEU 77 HG LEU 77 3.464 -4.257 -15.075 386 1HD1 LEU 77 1HD1 LEU 77 2.690 -1.453 -14.379 387 2HD1 LEU 77 2HD1 LEU 77 2.163 -2.457 -15.730 388 3HD1 LEU 77 3HD1 LEU 77 3.761 -1.712 -15.757 389 1HD2 LEU 77 1HD2 LEU 77 5.449 -2.354 -14.783 390 2HD2 LEU 77 2HD2 LEU 77 5.640 -4.072 -14.441 391 3HD2 LEU 77 3HD2 LEU 77 5.254 -2.952 -13.135 392 H ASN 78 H ASN 78 0.365 -6.072 -12.441 393 HA ASN 78 HA ASN 78 0.075 -7.296 -15.105 394 1HB ASN 78 2HB ASN 78 -1.909 -7.176 -12.828 395 2HB ASN 78 1HB ASN 78 -1.937 -8.268 -14.202 396 1HD2 ASN 78 1HD2 ASN 78 -1.288 -10.323 -13.567 397 2HD2 ASN 78 2HD2 ASN 78 -0.034 -10.653 -12.475 398 H VAL 79 H VAL 79 -1.353 -6.522 -16.663 399 HA VAL 79 HA VAL 79 -2.815 -4.004 -15.977 400 HB VAL 79 HB VAL 79 -1.556 -4.604 -18.665 401 1HG1 VAL 79 1HG1 VAL 79 -2.589 -2.045 -17.406 402 2HG1 VAL 79 2HG1 VAL 79 -3.470 -3.014 -18.588 403 3HG1 VAL 79 3HG1 VAL 79 -1.962 -2.221 -19.046 404 1HG2 VAL 79 1HG2 VAL 79 -0.069 -2.574 -17.651 405 2HG2 VAL 79 2HG2 VAL 79 0.395 -4.268 -17.496 406 3HG2 VAL 79 3HG2 VAL 79 -0.423 -3.452 -16.164 407 H THR 80 H THR 80 -4.808 -5.065 -15.718 408 HA THR 80 HA THR 80 -5.809 -6.835 -17.847 409 HB THR 80 HB THR 80 -7.225 -5.767 -15.385 410 HG1 THR 80 HG1 THR 80 -5.499 -6.987 -14.740 411 1HG2 THR 80 1HG2 THR 80 -8.845 -6.571 -16.948 412 2HG2 THR 80 2HG2 THR 80 -8.606 -7.875 -15.784 413 3HG2 THR 80 3HG2 THR 80 -7.845 -7.961 -17.373 414 H LEU 81 H LEU 81 -6.354 -5.730 -19.695 415 HA LEU 81 HA LEU 81 -7.675 -3.105 -19.515 416 1HB LEU 81 2HB LEU 81 -6.915 -4.784 -21.926 417 2HB LEU 81 1HB LEU 81 -7.440 -3.105 -21.955 418 HG LEU 81 HG LEU 81 -5.092 -3.878 -20.255 419 1HD1 LEU 81 1HD1 LEU 81 -4.969 -3.237 -23.218 420 2HD1 LEU 81 2HD1 LEU 81 -4.683 -4.830 -22.520 421 3HD1 LEU 81 3HD1 LEU 81 -3.590 -3.498 -22.150 422 1HD2 LEU 81 1HD2 LEU 81 -5.741 -1.637 -19.933 423 2HD2 LEU 81 2HD2 LEU 81 -6.146 -1.413 -21.634 424 3HD2 LEU 81 3HD2 LEU 81 -4.457 -1.505 -21.135 425 HA PRO 82 HA PRO 82 -11.683 -5.090 -19.996 426 1HB PRO 82 2HB PRO 82 -13.167 -2.815 -20.250 427 2HB PRO 82 1HB PRO 82 -12.504 -3.374 -18.708 428 1HG PRO 82 2HG PRO 82 -11.684 -1.095 -20.377 429 2HG PRO 82 1HG PRO 82 -11.426 -1.379 -18.651 430 1HD PRO 82 2HD PRO 82 -9.534 -1.728 -20.769 431 2HD PRO 82 1HD PRO 82 -9.318 -2.111 -19.047 432 H GLU 83 H GLU 83 -13.730 -4.523 -21.567 433 HA GLU 83 HA GLU 83 -12.915 -5.159 -24.213 434 1HB GLU 83 2HB GLU 83 -15.443 -4.456 -22.851 435 2HB GLU 83 1HB GLU 83 -15.411 -4.088 -24.576 436 1HG GLU 83 2HG GLU 83 -14.798 -6.380 -25.107 437 2HG GLU 83 1HG GLU 83 -14.658 -6.775 -23.393 438 H ALA 84 H ALA 84 -13.625 -3.724 -26.152 439 HA ALA 84 HA ALA 84 -13.718 -0.891 -25.929 440 1HB ALA 84 1HB ALA 84 -11.286 -0.693 -27.029 441 2HB ALA 84 2HB ALA 84 -11.007 -2.134 -26.052 442 3HB ALA 84 3HB ALA 84 -11.517 -0.632 -25.282 443 H GLU 85 H GLU 85 -14.440 -0.143 -27.879 444 HA GLU 85 HA GLU 85 -13.624 -1.427 -30.377 445 1HB GLU 85 2HB GLU 85 -16.533 -1.399 -29.521 446 2HB GLU 85 1HB GLU 85 -15.927 -1.936 -31.088 447 1HG GLU 85 2HG GLU 85 -14.510 -3.631 -29.847 448 2HG GLU 85 1HG GLU 85 -15.396 -3.194 -28.386 449 H GLU 86 H GLU 86 -13.394 1.229 -29.157 450 HA GLU 86 HA GLU 86 -13.611 3.476 -29.786 451 1HB GLU 86 2HB GLU 86 -12.951 2.372 -32.011 452 2HB GLU 86 1HB GLU 86 -14.663 2.453 -32.429 453 1HG GLU 86 2HG GLU 86 -13.574 4.435 -33.306 454 2HG GLU 86 1HG GLU 86 -14.597 4.919 -31.952 455 H LEU 87 H LEU 87 -15.487 3.297 -28.179 456 HA LEU 87 HA LEU 87 -18.150 3.525 -29.485 457 1HB LEU 87 2HB LEU 87 -17.476 2.162 -27.265 458 2HB LEU 87 1HB LEU 87 -17.854 3.719 -26.526 459 HG LEU 87 HG LEU 87 -19.994 3.593 -28.058 460 1HD1 LEU 87 1HD1 LEU 87 -20.701 1.097 -28.089 461 2HD1 LEU 87 2HD1 LEU 87 -18.977 0.755 -27.941 462 3HD1 LEU 87 3HD1 LEU 87 -19.582 1.650 -29.335 463 1HD2 LEU 87 1HD2 LEU 87 -20.258 3.654 -25.698 464 2HD2 LEU 87 2HD2 LEU 87 -19.479 2.085 -25.489 465 3HD2 LEU 87 3HD2 LEU 87 -21.092 2.182 -26.196 466 H LYS 88 HN LYS 88 -19.467 5.389 -29.129 467 HA LYS 88 HA LYS 88 -18.082 7.756 -27.951 468 1HB LYS 88 2HB LYS 88 -19.013 9.130 -29.835 469 2HB LYS 88 1HB LYS 88 -17.802 7.959 -30.357 470 1HG LYS 88 2HG LYS 88 -19.671 6.377 -30.923 471 2HG LYS 88 1HG LYS 88 -20.812 7.673 -30.565 472 1HD LYS 88 2HD LYS 88 -20.068 8.993 -32.372 473 2HD LYS 88 1HD LYS 88 -18.557 8.095 -32.521 474 1HE LYS 88 2HE LYS 88 -19.783 7.209 -34.293 475 2HE LYS 88 1HE LYS 88 -20.157 6.059 -33.009 476 1HZ LYS 88 1HZ LYS 88 -22.110 7.590 -32.514 477 2HZ LYS 88 2HZ LYS 88 -22.212 6.620 -33.905 478 3HZ LYS 88 3HZ LYS 88 -21.824 8.269 -34.041 479 1H ARG 31 1H ARG 31 5.133 -10.964 -33.556 480 2H ARG 31 2H ARG 31 3.543 -10.590 -34.023 481 3H ARG 31 3H ARG 31 3.882 -12.070 -33.262 482 HA ARG 31 HA ARG 31 4.234 -11.095 -31.197 483 1HB ARG 31 2HB ARG 31 4.292 -8.551 -31.017 484 2HB ARG 31 1HB ARG 31 5.700 -9.295 -31.772 485 1HG ARG 31 2HG ARG 31 3.520 -8.616 -33.649 486 2HG ARG 31 1HG ARG 31 4.271 -7.226 -32.869 487 1HD ARG 31 2HD ARG 31 6.431 -8.861 -33.572 488 2HD ARG 31 1HD ARG 31 5.334 -8.972 -34.948 489 HE ARG 31 HE ARG 31 5.796 -6.714 -35.433 490 1HH1 ARG 31 1HH2 ARG 31 6.803 -7.479 -32.172 491 2HH1 ARG 31 2HH2 ARG 31 7.573 -5.947 -31.944 492 1HH2 ARG 31 1HH1 ARG 31 6.805 -4.746 -35.094 493 2HH2 ARG 31 2HH1 ARG 31 7.575 -4.415 -33.579 494 H SER 32 H SER 32 2.290 -11.501 -30.303 495 HA SER 32 HA SER 32 -0.224 -10.927 -31.497 496 1HB SER 32 2HB SER 32 0.230 -11.228 -28.527 497 2HB SER 32 1HB SER 32 -1.202 -11.666 -29.456 498 HG SER 32 HG SER 32 -0.255 -13.459 -30.070 499 H ASP 33 H ASP 33 1.930 -8.875 -29.720 500 HA ASP 33 HA ASP 33 -0.161 -6.999 -28.922 501 1HB ASP 33 2HB ASP 33 2.838 -6.628 -28.864 502 2HB ASP 33 1HB ASP 33 1.637 -5.670 -27.996 503 H ALA 34 H ALA 34 0.845 -7.656 -31.904 504 HA ALA 34 HA ALA 34 1.451 -4.920 -32.769 505 1HB ALA 34 1HB ALA 34 2.744 -6.435 -33.980 506 2HB ALA 34 2HB ALA 34 1.389 -6.164 -35.077 507 3HB ALA 34 3HB ALA 34 1.439 -7.617 -34.078 508 H GLU 35 H GLU 35 -1.347 -6.542 -32.022 509 HA GLU 35 HA GLU 35 -2.966 -5.734 -34.304 510 1HB GLU 35 2HB GLU 35 -3.900 -6.670 -31.579 511 2HB GLU 35 1HB GLU 35 -4.835 -6.645 -33.069 512 1HG GLU 35 2HG GLU 35 -2.283 -8.107 -33.293 513 2HG GLU 35 1HG GLU 35 -3.416 -8.816 -32.145 514 HA PRO 36 HA PRO 36 -4.462 -2.337 -31.263 515 1HB PRO 36 2HB PRO 36 -3.084 -1.945 -28.941 516 2HB PRO 36 1HB PRO 36 -4.427 -3.087 -29.093 517 1HG PRO 36 2HG PRO 36 -1.550 -3.613 -28.812 518 2HG PRO 36 1HG PRO 36 -2.928 -4.662 -28.458 519 1HD PRO 36 2HD PRO 36 -1.233 -4.737 -30.756 520 2HD PRO 36 1HD PRO 36 -2.660 -5.728 -30.440 521 H HIS 37 H HIS 37 -0.925 -2.732 -31.076 522 HA HIS 37 HA HIS 37 0.799 -1.354 -31.834 523 1HB HIS 37 2HB HIS 37 -0.933 -0.822 -33.699 524 2HB HIS 37 1HB HIS 37 -1.198 0.679 -32.811 525 HD1 HIS 37 HD1 HIS 37 0.184 2.504 -33.778 526 HD2 HIS 37 HD2 HIS 37 2.189 -1.149 -33.905 527 HE1 HIS 37 HE1 HIS 37 2.462 2.971 -34.783 528 H TYR 38 H TYR 38 -1.316 -0.627 -29.403 529 HA TYR 38 HA TYR 38 0.259 1.787 -28.635 530 1HB TYR 38 2HB TYR 38 -1.762 2.356 -27.184 531 2HB TYR 38 1HB TYR 38 -1.986 2.546 -28.920 532 HD1 TYR 38 HD1 TYR 38 -2.686 0.347 -26.009 533 HD2 TYR 38 HD2 TYR 38 -3.552 1.193 -30.132 534 HE1 TYR 38 HE1 TYR 38 -4.614 -1.212 -25.925 535 HE2 TYR 38 HE2 TYR 38 -5.478 -0.367 -30.047 536 HH TYR 38 HH TYR 38 -6.244 -2.272 -28.743 537 H LEU 39 H LEU 39 -1.182 -1.265 -27.608 538 HA LEU 39 HA LEU 39 -0.603 -1.215 -24.857 539 1HB LEU 39 2HB LEU 39 -1.415 -3.136 -26.775 540 2HB LEU 39 1HB LEU 39 -0.023 -3.831 -25.950 541 HG LEU 39 HG LEU 39 -2.070 -4.431 -24.745 542 1HD1 LEU 39 1HD1 LEU 39 -1.008 -2.290 -22.963 543 2HD1 LEU 39 2HD1 LEU 39 0.154 -3.473 -23.567 544 3HD1 LEU 39 3HD1 LEU 39 -1.247 -4.007 -22.640 545 1HD2 LEU 39 1HD2 LEU 39 -3.100 -2.182 -23.593 546 2HD2 LEU 39 2HD2 LEU 39 -3.749 -2.917 -25.059 547 3HD2 LEU 39 3HD2 LEU 39 -2.636 -1.555 -25.175 548 HA PRO 40 HA PRO 40 3.822 -2.889 -25.821 549 1HB PRO 40 2HB PRO 40 4.725 -2.701 -28.399 550 2HB PRO 40 1HB PRO 40 3.923 -4.132 -27.734 551 1HG PRO 40 2HG PRO 40 2.861 -2.056 -29.568 552 2HG PRO 40 1HG PRO 40 2.460 -3.773 -29.447 553 1HD PRO 40 2HD PRO 40 0.905 -1.694 -28.458 554 2HD PRO 40 1HD PRO 40 0.779 -3.390 -27.946 555 H GLN 41 H GLN 41 2.489 -0.019 -27.206 556 HA GLN 41 HA GLN 41 4.995 1.472 -27.372 557 1HB GLN 41 2HB GLN 41 3.035 2.076 -28.765 558 2HB GLN 41 1HB GLN 41 2.106 2.416 -27.306 559 1HG GLN 41 2HG GLN 41 2.954 4.514 -28.197 560 2HG GLN 41 1HG GLN 41 3.802 4.155 -26.692 561 1HE2 GLN 41 1HE2 GLN 41 5.825 5.153 -27.179 562 2HE2 GLN 41 2HE2 GLN 41 6.819 4.658 -28.462 563 H LEU 42 H LEU 42 2.453 0.900 -25.010 564 HA LEU 42 HA LEU 42 3.347 2.947 -23.178 565 1HB LEU 42 2HB LEU 42 1.521 0.563 -22.791 566 2HB LEU 42 1HB LEU 42 1.791 1.802 -21.592 567 HG LEU 42 HG LEU 42 0.201 3.108 -22.499 568 1HD1 LEU 42 1HD1 LEU 42 1.931 3.907 -24.171 569 2HD1 LEU 42 2HD1 LEU 42 0.260 4.032 -24.708 570 3HD1 LEU 42 3HD1 LEU 42 1.275 2.724 -25.302 571 1HD2 LEU 42 1HD2 LEU 42 -1.107 2.044 -24.504 572 2HD2 LEU 42 2HD2 LEU 42 -1.145 1.261 -22.924 573 3HD2 LEU 42 3HD2 LEU 42 -0.079 0.647 -24.188 574 H ARG 43 H ARG 43 3.721 -0.599 -23.419 575 HA ARG 43 HA ARG 43 5.124 -0.934 -20.959 576 1HB ARG 43 2HB ARG 43 5.847 -3.074 -21.839 577 2HB ARG 43 1HB ARG 43 4.187 -2.806 -22.328 578 1HG ARG 43 2HG ARG 43 4.992 -2.007 -24.535 579 2HG ARG 43 1HG ARG 43 6.641 -2.386 -24.047 580 1HD ARG 43 2HD ARG 43 5.903 -4.756 -23.641 581 2HD ARG 43 1HD ARG 43 4.344 -4.335 -24.351 582 HE ARG 43 HE ARG 43 6.497 -3.601 -26.122 583 1HH1 ARG 43 1HH2 ARG 43 4.662 -6.340 -24.955 584 2HH1 ARG 43 2HH2 ARG 43 4.931 -7.261 -26.393 585 1HH2 ARG 43 2HH1 ARG 43 6.819 -4.828 -27.966 586 2HH2 ARG 43 1HH1 ARG 43 6.137 -6.416 -28.080 587 H LYS 44 H LYS 44 6.310 -0.249 -24.266 588 HA LYS 44 HA LYS 44 9.061 -0.270 -23.518 589 1HB LYS 44 2HB LYS 44 9.473 0.839 -25.645 590 2HB LYS 44 1HB LYS 44 8.261 -0.410 -25.884 591 1HG LYS 44 2HG LYS 44 6.484 1.258 -25.808 592 2HG LYS 44 1HG LYS 44 7.649 2.528 -25.455 593 1HD LYS 44 2HD LYS 44 7.108 2.584 -27.834 594 2HD LYS 44 1HD LYS 44 8.776 2.048 -27.629 595 1HE LYS 44 2HE LYS 44 8.067 -0.297 -27.867 596 2HE LYS 44 1HE LYS 44 6.390 0.220 -28.041 597 1HZ LYS 44 1HZ LYS 44 7.237 1.617 -29.960 598 2HZ LYS 44 2HZ LYS 44 7.164 -0.062 -30.208 599 3HZ LYS 44 3HZ LYS 44 8.654 0.689 -29.883 600 H ASP 45 H ASP 45 6.504 2.141 -23.362 601 HA ASP 45 HA ASP 45 8.149 4.420 -22.870 602 1HB ASP 45 2HB ASP 45 5.303 3.753 -22.121 603 2HB ASP 45 1HB ASP 45 6.046 5.293 -21.717 604 H ILE 46 H ILE 46 6.561 2.091 -20.646 605 HA ILE 46 HA ILE 46 7.510 3.299 -18.241 606 HB ILE 46 HB ILE 46 5.718 1.514 -18.410 607 1HG1 ILE 46 2HG1 ILE 46 7.946 0.952 -16.434 608 2HG1 ILE 46 1HG1 ILE 46 6.794 2.277 -16.284 609 1HG2 ILE 46 1HG2 ILE 46 8.062 -0.135 -19.161 610 2HG2 ILE 46 2HG2 ILE 46 6.360 -0.351 -19.530 611 3HG2 ILE 46 3HG2 ILE 46 6.988 -0.844 -17.963 612 1HD1 ILE 46 1HD1 ILE 46 5.014 0.863 -15.827 613 2HD1 ILE 46 2HD1 ILE 46 6.335 -0.041 -15.089 614 3HD1 ILE 46 3HD1 ILE 46 5.736 -0.497 -16.683 615 H LEU 47 H LEU 47 9.084 1.204 -20.571 616 HA LEU 47 HA LEU 47 11.328 0.464 -18.936 617 1HB LEU 47 2HB LEU 47 10.829 0.586 -21.906 618 2HB LEU 47 1HB LEU 47 12.435 0.228 -21.283 619 HG LEU 47 HG LEU 47 10.070 -1.285 -20.225 620 1HD1 LEU 47 1HD1 LEU 47 9.643 -1.867 -22.406 621 2HD1 LEU 47 2HD1 LEU 47 10.973 -2.986 -22.105 622 3HD1 LEU 47 3HD1 LEU 47 11.273 -1.463 -22.942 623 1HD2 LEU 47 1HD2 LEU 47 12.049 -1.771 -19.046 624 2HD2 LEU 47 2HD2 LEU 47 13.045 -1.678 -20.499 625 3HD2 LEU 47 3HD2 LEU 47 11.980 -3.062 -20.247 626 H GLU 48 H GLU 48 10.797 3.046 -21.333 627 HA GLU 48 HA GLU 48 13.345 4.320 -20.927 628 1HB GLU 48 2HB GLU 48 10.797 5.694 -21.807 629 2HB GLU 48 1HB GLU 48 12.453 6.179 -22.161 630 1HG GLU 48 2HG GLU 48 11.159 3.621 -23.121 631 2HG GLU 48 1HG GLU 48 11.360 5.076 -24.082 632 H VAL 49 H VAL 49 10.129 4.644 -19.530 633 HA VAL 49 HA VAL 49 10.599 6.973 -17.994 634 HB VAL 49 HB VAL 49 8.805 4.601 -17.374 635 1HG1 VAL 49 1HG1 VAL 49 7.654 6.875 -16.273 636 2HG1 VAL 49 2HG1 VAL 49 9.368 7.088 -15.916 637 3HG1 VAL 49 3HG1 VAL 49 8.530 5.635 -15.378 638 1HG2 VAL 49 1HG2 VAL 49 7.264 5.517 -18.787 639 2HG2 VAL 49 2HG2 VAL 49 8.662 6.309 -19.514 640 3HG2 VAL 49 3HG2 VAL 49 7.680 7.168 -18.329 641 H ILE 50 H ILE 50 10.862 3.522 -17.001 642 HA ILE 50 HA ILE 50 12.032 4.004 -14.447 643 HB ILE 50 HB ILE 50 12.571 1.665 -16.303 644 1HG1 ILE 50 2HG1 ILE 50 10.601 1.589 -14.052 645 2HG1 ILE 50 1HG1 ILE 50 10.114 2.378 -15.553 646 1HG2 ILE 50 1HG2 ILE 50 14.116 1.917 -14.345 647 2HG2 ILE 50 2HG2 ILE 50 13.128 0.459 -14.264 648 3HG2 ILE 50 3HG2 ILE 50 12.712 1.862 -13.281 649 1HD1 ILE 50 1HD1 ILE 50 9.503 -0.008 -15.588 650 2HD1 ILE 50 2HD1 ILE 50 11.189 -0.448 -15.312 651 3HD1 ILE 50 3HD1 ILE 50 10.719 0.343 -16.817 652 H CYS 51 H CYS 51 13.349 4.272 -17.657 653 HA CYS 51 HA CYS 51 16.129 4.165 -16.867 654 1HB CYS 51 2HB CYS 51 15.117 3.782 -19.225 655 2HB CYS 51 1HB CYS 51 15.075 5.541 -19.336 656 HG CYS 51 HG CYS 51 17.424 4.345 -20.168 657 H LYS 52 H LYS 52 13.825 6.773 -17.621 658 HA LYS 52 HA LYS 52 15.565 8.981 -17.277 659 1HB LYS 52 2HB LYS 52 12.633 8.855 -16.521 660 2HB LYS 52 1HB LYS 52 13.562 10.316 -16.832 661 1HG LYS 52 2HG LYS 52 13.707 9.888 -19.131 662 2HG LYS 52 1HG LYS 52 13.372 8.168 -18.931 663 1HD LYS 52 2HD LYS 52 11.273 8.809 -19.604 664 2HD LYS 52 1HD LYS 52 11.094 9.177 -17.887 665 1HE LYS 52 2HE LYS 52 10.382 11.154 -18.964 666 2HE LYS 52 1HE LYS 52 12.045 11.505 -18.490 667 1HZ LYS 52 1HZ LYS 52 11.833 12.164 -20.726 668 2HZ LYS 52 2HZ LYS 52 11.046 10.725 -21.167 669 3HZ LYS 52 3HZ LYS 52 12.695 10.704 -20.760 670 H TYR 53 H TYR 53 13.890 7.003 -14.903 671 HA TYR 53 HA TYR 53 14.879 8.736 -12.707 672 1HB TYR 53 2HB TYR 53 12.911 6.427 -12.708 673 2HB TYR 53 1HB TYR 53 13.342 7.392 -11.310 674 HD1 TYR 53 HD1 TYR 53 12.177 7.946 -14.841 675 HD2 TYR 53 HD2 TYR 53 11.885 9.115 -10.728 676 HE1 TYR 53 HE1 TYR 53 10.402 9.548 -15.442 677 HE2 TYR 53 HE2 TYR 53 10.099 10.730 -11.327 678 HH TYR 53 HH TYR 53 9.476 12.024 -13.604 679 H VAL 54 H VAL 54 15.573 5.748 -14.316 680 HA VAL 54 HA VAL 54 17.671 5.151 -12.323 681 HB VAL 54 HB VAL 54 15.881 2.851 -13.111 682 1HG1 VAL 54 1HG1 VAL 54 17.319 3.299 -10.503 683 2HG1 VAL 54 2HG1 VAL 54 18.199 2.745 -11.927 684 3HG1 VAL 54 3HG1 VAL 54 16.877 1.777 -11.275 685 1HG2 VAL 54 1HG2 VAL 54 15.433 4.653 -10.704 686 2HG2 VAL 54 2HG2 VAL 54 14.573 3.151 -11.043 687 3HG2 VAL 54 3HG2 VAL 54 14.364 4.545 -12.102 688 H GLN 55 H GLN 55 17.705 2.318 -13.818 689 HA GLN 55 HA GLN 55 18.214 2.945 -16.572 690 1HB GLN 55 2HB GLN 55 20.342 3.497 -14.687 691 2HB GLN 55 1HB GLN 55 20.837 2.236 -15.816 692 1HG GLN 55 2HG GLN 55 20.551 3.618 -17.688 693 2HG GLN 55 1HG GLN 55 19.478 4.722 -16.827 694 1HE2 GLN 55 1HE2 GLN 55 22.862 3.496 -16.435 695 2HE2 GLN 55 2HE2 GLN 55 23.517 5.013 -16.046 696 H ILE 56 H ILE 56 17.397 1.057 -17.270 697 HA ILE 56 HA ILE 56 18.745 -1.459 -16.429 698 HB ILE 56 HB ILE 56 16.383 -2.531 -16.556 699 1HG1 ILE 56 2HG1 ILE 56 15.289 -0.009 -15.462 700 2HG1 ILE 56 1HG1 ILE 56 15.618 0.031 -17.194 701 1HG2 ILE 56 1HG2 ILE 56 17.969 -1.819 -14.501 702 2HG2 ILE 56 2HG2 ILE 56 16.393 -2.577 -14.272 703 3HG2 ILE 56 3HG2 ILE 56 16.560 -0.827 -14.131 704 1HD1 ILE 56 1HD1 ILE 56 13.382 -0.788 -16.982 705 2HD1 ILE 56 2HD1 ILE 56 13.836 -1.896 -15.687 706 3HD1 ILE 56 3HD1 ILE 56 14.374 -2.202 -17.339 707 H ASP 57 H ASP 57 18.125 -3.261 -18.000 708 HA ASP 57 HA ASP 57 18.032 -2.115 -20.745 709 1HB ASP 57 2HB ASP 57 19.119 -4.637 -19.543 710 2HB ASP 57 1HB ASP 57 18.646 -4.648 -21.241 711 HA PRO 58 HA PRO 58 14.022 -3.830 -21.500 712 1HB PRO 58 2HB PRO 58 14.208 -4.668 -24.097 713 2HB PRO 58 1HB PRO 58 14.109 -2.964 -23.629 714 1HG PRO 58 2HG PRO 58 16.457 -4.536 -24.541 715 2HG PRO 58 1HG PRO 58 16.090 -2.819 -24.765 716 1HD PRO 58 2HD PRO 58 17.891 -3.843 -22.894 717 2HD PRO 58 1HD PRO 58 17.160 -2.226 -22.830 718 H GLU 59 H GLU 59 16.794 -5.865 -22.222 719 HA GLU 59 HA GLU 59 15.344 -8.357 -22.405 720 1HB GLU 59 2HB GLU 59 18.227 -7.652 -21.829 721 2HB GLU 59 1HB GLU 59 17.658 -9.321 -21.811 722 1HG GLU 59 2HG GLU 59 18.337 -9.105 -24.028 723 2HG GLU 59 1HG GLU 59 16.629 -8.682 -24.153 724 H MET 60 H MET 60 16.037 -6.247 -19.778 725 HA MET 60 HA MET 60 16.006 -8.380 -17.745 726 1HB MET 60 2HB MET 60 16.339 -5.385 -17.713 727 2HB MET 60 1HB MET 60 16.001 -6.260 -16.224 728 1HG MET 60 2HG MET 60 18.134 -7.437 -17.907 729 2HG MET 60 1HG MET 60 18.514 -5.859 -17.219 730 1HE MET 60 1HE MET 60 18.158 -6.186 -13.521 731 2HE MET 60 2HE MET 60 17.725 -5.244 -14.945 732 3HE MET 60 3HE MET 60 19.415 -5.633 -14.637 733 H VAL 61 H VAL 61 13.762 -6.311 -19.385 734 HA VAL 61 HA VAL 61 11.731 -6.686 -17.251 735 HB VAL 61 HB VAL 61 11.596 -5.008 -19.775 736 1HG1 VAL 61 1HG1 VAL 61 9.552 -4.228 -19.034 737 2HG1 VAL 61 2HG1 VAL 61 9.931 -4.530 -17.339 738 3HG1 VAL 61 3HG1 VAL 61 9.479 -5.868 -18.394 739 1HG2 VAL 61 1HG2 VAL 61 11.725 -3.233 -17.729 740 2HG2 VAL 61 2HG2 VAL 61 13.149 -3.792 -18.606 741 3HG2 VAL 61 3HG2 VAL 61 12.718 -4.529 -17.064 742 H THR 62 H THR 62 10.179 -8.233 -17.507 743 HA THR 62 HA THR 62 10.027 -9.664 -20.080 744 HB THR 62 HB THR 62 8.505 -10.415 -17.593 745 HG1 THR 62 HG1 THR 62 10.308 -11.474 -16.869 746 1HG2 THR 62 1HG2 THR 62 9.643 -11.885 -19.978 747 2HG2 THR 62 2HG2 THR 62 7.947 -11.709 -19.525 748 3HG2 THR 62 3HG2 THR 62 9.021 -12.712 -18.551 749 H VAL 63 H VAL 63 7.840 -10.210 -20.936 750 HA VAL 63 HA VAL 63 5.660 -8.380 -20.103 751 HB VAL 63 HB VAL 63 6.622 -8.595 -22.968 752 1HG1 VAL 63 1HG1 VAL 63 4.401 -8.008 -23.198 753 2HG1 VAL 63 2HG1 VAL 63 5.067 -6.404 -22.891 754 3HG1 VAL 63 3HG1 VAL 63 4.312 -7.310 -21.581 755 1HG2 VAL 63 1HG2 VAL 63 8.254 -7.337 -21.713 756 2HG2 VAL 63 2HG2 VAL 63 6.989 -6.430 -20.884 757 3HG2 VAL 63 3HG2 VAL 63 7.265 -6.182 -22.608 758 H GLN 64 H GLN 64 4.109 -9.904 -19.665 759 HA GLN 64 HA GLN 64 3.642 -11.990 -21.752 760 1HB GLN 64 2HB GLN 64 2.801 -13.450 -19.896 761 2HB GLN 64 1HB GLN 64 4.516 -13.063 -19.751 762 1HG GLN 64 2HG GLN 64 2.827 -11.071 -18.429 763 2HG GLN 64 1HG GLN 64 2.574 -12.686 -17.778 764 1HE2 GLN 64 1HE2 GLN 64 3.685 -11.784 -15.782 765 2HE2 GLN 64 2HE2 GLN 64 5.382 -11.753 -15.745 766 H LEU 65 H LEU 65 1.522 -12.168 -22.484 767 HA LEU 65 HA LEU 65 -0.445 -10.309 -21.242 768 1HB LEU 65 2HB LEU 65 -1.573 -10.461 -23.492 769 2HB LEU 65 1HB LEU 65 -0.003 -9.673 -23.513 770 HG LEU 65 HG LEU 65 0.028 -12.611 -23.917 771 1HD1 LEU 65 1HD1 LEU 65 -1.053 -10.705 -26.016 772 2HD1 LEU 65 2HD1 LEU 65 -1.958 -12.000 -25.232 773 3HD1 LEU 65 3HD1 LEU 65 -0.613 -12.388 -26.304 774 1HD2 LEU 65 1HD2 LEU 65 1.293 -10.374 -25.519 775 2HD2 LEU 65 2HD2 LEU 65 1.814 -12.056 -25.418 776 3HD2 LEU 65 3HD2 LEU 65 1.997 -10.991 -24.025 777 H GLU 66 H GLU 66 -2.704 -11.026 -21.277 778 HA GLU 66 HA GLU 66 -3.208 -13.920 -21.567 779 1HB GLU 66 2HB GLU 66 -3.318 -12.419 -18.949 780 2HB GLU 66 1HB GLU 66 -4.293 -13.863 -19.213 781 1HG GLU 66 2HG GLU 66 -1.280 -13.690 -19.495 782 2HG GLU 66 1HG GLU 66 -2.131 -14.380 -18.115 783 H GLN 67 H GLN 67 -5.698 -14.281 -21.082 784 HA GLN 67 HA GLN 67 -7.295 -11.827 -21.498 785 1HB GLN 67 2HB GLN 67 -7.131 -14.073 -23.527 786 2HB GLN 67 1HB GLN 67 -8.435 -12.885 -23.506 787 1HG GLN 67 2HG GLN 67 -6.781 -11.065 -23.738 788 2HG GLN 67 1HG GLN 67 -5.479 -12.254 -23.771 789 1HE2 GLN 67 1HE2 GLN 67 -4.777 -12.438 -25.900 790 2HE2 GLN 67 2HE2 GLN 67 -5.793 -12.549 -27.254 791 H LYS 68 H LYS 68 -9.567 -12.154 -21.104 792 HA LYS 68 HA LYS 68 -10.149 -14.644 -19.555 793 1HB LYS 68 2HB LYS 68 -11.153 -11.822 -19.409 794 2HB LYS 68 1HB LYS 68 -12.190 -13.124 -18.849 795 1HG LYS 68 2HG LYS 68 -11.086 -13.112 -16.894 796 2HG LYS 68 1HG LYS 68 -9.636 -13.640 -17.743 797 1HD LYS 68 2HD LYS 68 -10.463 -10.728 -17.576 798 2HD LYS 68 1HD LYS 68 -9.391 -11.482 -16.398 799 1HE LYS 68 2HE LYS 68 -8.916 -11.310 -19.378 800 2HE LYS 68 1HE LYS 68 -8.108 -10.365 -18.134 801 1HZ LYS 68 1HZ LYS 68 -6.673 -12.148 -18.603 802 2HZ LYS 68 2HZ LYS 68 -7.932 -13.282 -18.600 803 3HZ LYS 68 3HZ LYS 68 -7.431 -12.572 -17.147 804 H ASP 69 H ASP 69 -12.624 -15.160 -19.649 805 HA ASP 69 HA ASP 69 -13.314 -15.586 -22.446 806 1HB ASP 69 2HB ASP 69 -13.686 -17.246 -20.533 807 2HB ASP 69 1HB ASP 69 -15.039 -16.222 -20.052 808 H GLY 70 H GLY 70 -13.832 -13.026 -20.288 809 1HA GLY 70 2HA GLY 70 -16.482 -12.325 -21.420 810 2HA GLY 70 1HA GLY 70 -15.699 -11.519 -20.063 811 H ASP 71 H ASP 71 -14.044 -12.247 -23.077 812 HA ASP 71 HA ASP 71 -13.069 -10.851 -24.678 813 1HB ASP 71 2HB ASP 71 -15.575 -9.338 -23.963 814 2HB ASP 71 1HB ASP 71 -14.400 -8.649 -25.081 815 H ILE 72 H ILE 72 -11.804 -10.798 -22.293 816 HA ILE 72 HA ILE 72 -11.064 -7.919 -21.983 817 HB ILE 72 HB ILE 72 -10.960 -9.956 -19.759 818 1HG1 ILE 72 2HG1 ILE 72 -13.170 -8.023 -20.514 819 2HG1 ILE 72 1HG1 ILE 72 -13.291 -9.770 -20.379 820 1HG2 ILE 72 1HG2 ILE 72 -9.518 -7.895 -19.669 821 2HG2 ILE 72 2HG2 ILE 72 -10.683 -8.006 -18.350 822 3HG2 ILE 72 3HG2 ILE 72 -10.992 -6.929 -19.709 823 1HD1 ILE 72 1HD1 ILE 72 -13.313 -7.713 -18.241 824 2HD1 ILE 72 2HD1 ILE 72 -12.409 -9.184 -17.883 825 3HD1 ILE 72 3HD1 ILE 72 -14.118 -9.280 -18.306 826 H SER 73 H SER 73 -8.797 -7.564 -21.542 827 HA SER 73 HA SER 73 -7.068 -9.941 -22.121 828 1HB SER 73 2HB SER 73 -6.979 -7.145 -23.234 829 2HB SER 73 1HB SER 73 -5.520 -8.130 -23.172 830 HG SER 73 HG SER 73 -7.440 -8.202 -24.966 831 H ILE 74 H ILE 74 -4.779 -9.573 -21.390 832 HA ILE 74 HA ILE 74 -4.540 -7.741 -19.071 833 HB ILE 74 HB ILE 74 -4.060 -10.721 -19.018 834 1HG1 ILE 74 2HG1 ILE 74 -5.977 -8.850 -17.630 835 2HG1 ILE 74 1HG1 ILE 74 -6.352 -10.187 -18.703 836 1HG2 ILE 74 1HG2 ILE 74 -2.228 -9.662 -17.818 837 2HG2 ILE 74 2HG2 ILE 74 -3.346 -10.330 -16.633 838 3HG2 ILE 74 3HG2 ILE 74 -3.350 -8.599 -16.968 839 1HD1 ILE 74 1HD1 ILE 74 -6.785 -10.837 -16.375 840 2HD1 ILE 74 2HD1 ILE 74 -5.128 -10.422 -15.937 841 3HD1 ILE 74 3HD1 ILE 74 -5.440 -11.776 -17.023 842 H LEU 75 H LEU 75 -2.202 -7.539 -18.420 843 HA LEU 75 HA LEU 75 -0.204 -8.613 -20.243 844 1HB LEU 75 2HB LEU 75 -1.135 -6.555 -21.403 845 2HB LEU 75 1HB LEU 75 -0.487 -5.606 -20.068 846 HG LEU 75 HG LEU 75 1.446 -7.509 -21.231 847 1HD1 LEU 75 1HD1 LEU 75 1.725 -5.530 -23.079 848 2HD1 LEU 75 2HD1 LEU 75 -0.032 -5.586 -22.933 849 3HD1 LEU 75 3HD1 LEU 75 0.861 -7.036 -23.385 850 1HD2 LEU 75 1HD2 LEU 75 1.718 -4.517 -20.965 851 2HD2 LEU 75 2HD2 LEU 75 2.963 -5.757 -20.806 852 3HD2 LEU 75 3HD2 LEU 75 1.755 -5.551 -19.537 853 H GLU 76 H GLU 76 0.890 -9.464 -18.507 854 HA GLU 76 HA GLU 76 1.593 -7.692 -16.231 855 1HB GLU 76 2HB GLU 76 2.242 -10.630 -16.542 856 2HB GLU 76 1HB GLU 76 2.212 -9.684 -15.055 857 1HG GLU 76 2HG GLU 76 -0.190 -9.443 -15.177 858 2HG GLU 76 1HG GLU 76 -0.229 -10.164 -16.786 859 H LEU 77 H LEU 77 3.379 -6.457 -16.725 860 HA LEU 77 HA LEU 77 5.596 -7.766 -18.208 861 1HB LEU 77 2HB LEU 77 6.533 -5.444 -18.374 862 2HB LEU 77 1HB LEU 77 4.959 -5.627 -19.141 863 HG LEU 77 HG LEU 77 4.911 -4.827 -16.283 864 1HD1 LEU 77 1HD1 LEU 77 6.211 -3.209 -18.437 865 2HD1 LEU 77 2HD1 LEU 77 6.607 -3.313 -16.721 866 3HD1 LEU 77 3HD1 LEU 77 5.208 -2.376 -17.249 867 1HD2 LEU 77 1HD2 LEU 77 3.358 -3.092 -17.775 868 2HD2 LEU 77 2HD2 LEU 77 2.784 -4.593 -17.055 869 3HD2 LEU 77 3HD2 LEU 77 3.307 -4.568 -18.739 870 H ASN 78 H ASN 78 7.364 -8.450 -17.125 871 HA ASN 78 HA ASN 78 7.573 -7.902 -14.238 872 1HB ASN 78 2HB ASN 78 9.373 -9.566 -16.008 873 2HB ASN 78 1HB ASN 78 9.266 -9.618 -14.256 874 1HD2 ASN 78 1HD2 ASN 78 8.152 -11.460 -13.607 875 2HD2 ASN 78 2HD2 ASN 78 6.784 -12.093 -14.381 876 H VAL 79 H VAL 79 9.238 -6.685 -13.338 877 HA VAL 79 HA VAL 79 11.149 -5.431 -15.267 878 HB VAL 79 HB VAL 79 9.982 -4.055 -12.836 879 1HG1 VAL 79 1HG1 VAL 79 11.443 -3.013 -15.280 880 2HG1 VAL 79 2HG1 VAL 79 12.180 -3.263 -13.697 881 3HG1 VAL 79 3HG1 VAL 79 10.910 -2.055 -13.899 882 1HG2 VAL 79 1HG2 VAL 79 8.892 -2.748 -14.949 883 2HG2 VAL 79 2HG2 VAL 79 8.069 -4.064 -14.111 884 3HG2 VAL 79 3HG2 VAL 79 8.947 -4.384 -15.607 885 H THR 80 H THR 80 12.849 -6.834 -14.715 886 HA THR 80 HA THR 80 13.599 -7.179 -11.888 887 HB THR 80 HB THR 80 15.033 -8.091 -14.402 888 HG1 THR 80 HG1 THR 80 13.047 -9.056 -14.326 889 1HG2 THR 80 1HG2 THR 80 16.550 -8.145 -12.556 890 2HG2 THR 80 2HG2 THR 80 15.961 -9.796 -12.745 891 3HG2 THR 80 3HG2 THR 80 15.311 -8.768 -11.468 892 H LEU 81 H LEU 81 14.493 -5.347 -11.009 893 HA LEU 81 HA LEU 81 16.324 -3.682 -12.603 894 1HB LEU 81 2HB LEU 81 15.397 -3.416 -9.727 895 2HB LEU 81 1HB LEU 81 16.266 -2.200 -10.652 896 HG LEU 81 HG LEU 81 13.695 -3.303 -11.732 897 1HD1 LEU 81 1HD1 LEU 81 13.918 -1.036 -9.728 898 2HD1 LEU 81 2HD1 LEU 81 13.253 -2.631 -9.376 899 3HD1 LEU 81 3HD1 LEU 81 12.444 -1.574 -10.533 900 1HD2 LEU 81 1HD2 LEU 81 14.780 -1.879 -13.264 901 2HD2 LEU 81 2HD2 LEU 81 15.341 -0.790 -11.994 902 3HD2 LEU 81 3HD2 LEU 81 13.640 -0.798 -12.461 903 HA PRO 82 HA PRO 82 19.845 -5.799 -10.771 904 1HB PRO 82 2HB PRO 82 21.791 -4.186 -11.799 905 2HB PRO 82 1HB PRO 82 20.919 -5.388 -12.760 906 1HG PRO 82 2HG PRO 82 20.719 -2.454 -12.810 907 2HG PRO 82 1HG PRO 82 20.285 -3.635 -14.053 908 1HD PRO 82 2HD PRO 82 18.516 -2.263 -12.271 909 2HD PRO 82 1HD PRO 82 18.104 -3.527 -13.449 910 H GLU 83 H GLU 83 22.070 -4.867 -9.694 911 HA GLU 83 HA GLU 83 21.326 -3.638 -7.243 912 1HB GLU 83 2HB GLU 83 23.844 -4.424 -8.578 913 2HB GLU 83 1HB GLU 83 24.012 -3.118 -7.406 914 1HG GLU 83 2HG GLU 83 22.966 -4.467 -5.675 915 2HG GLU 83 1HG GLU 83 22.626 -5.751 -6.835 916 H ALA 84 H ALA 84 22.458 -1.529 -6.473 917 HA ALA 84 HA ALA 84 23.134 0.534 -8.310 918 1HB ALA 84 1HB ALA 84 20.881 1.850 -7.709 919 2HB ALA 84 2HB ALA 84 20.236 0.209 -7.670 920 3HB ALA 84 3HB ALA 84 20.997 0.822 -9.138 921 H GLU 85 H GLU 85 24.133 2.110 -7.126 922 HA GLU 85 HA GLU 85 23.240 2.747 -4.415 923 1HB GLU 85 2HB GLU 85 26.021 1.649 -4.919 924 2HB GLU 85 1HB GLU 85 25.428 2.278 -3.382 925 1HG GLU 85 2HG GLU 85 23.600 0.525 -3.485 926 2HG GLU 85 1HG GLU 85 24.453 -0.178 -4.860 927 H GLU 86 H GLU 86 23.493 4.153 -6.975 928 HA GLU 86 HA GLU 86 24.224 6.232 -7.771 929 1HB GLU 86 2HB GLU 86 23.503 6.816 -5.374 930 2HB GLU 86 1HB GLU 86 25.218 6.762 -4.965 931 1HG GLU 86 2HG GLU 86 24.638 9.057 -5.499 932 2HG GLU 86 1HG GLU 86 25.643 8.423 -6.803 933 H LEU 87 H LEU 87 25.903 4.752 -8.831 934 HA LEU 87 HA LEU 87 28.638 5.132 -7.727 935 1HB LEU 87 2HB LEU 87 27.537 2.906 -8.764 936 2HB LEU 87 1HB LEU 87 28.183 3.609 -10.246 937 HG LEU 87 HG LEU 87 30.350 3.956 -8.789 938 1HD1 LEU 87 1HD1 LEU 87 30.513 1.874 -7.248 939 2HD1 LEU 87 2HD1 LEU 87 28.750 1.887 -7.289 940 3HD1 LEU 87 3HD1 LEU 87 29.626 3.276 -6.647 941 1HD2 LEU 87 1HD2 LEU 87 30.455 2.563 -10.709 942 2HD2 LEU 87 2HD2 LEU 87 29.349 1.380 -10.011 943 3HD2 LEU 87 3HD2 LEU 87 30.991 1.528 -9.386 944 H LYS 88 HN LYS 88 30.292 6.100 -9.017 945 HA LYS 88 HA LYS 88 29.360 7.551 -11.452 946 1HB LYS 88 2HB LYS 88 30.692 9.533 -10.676 947 2HB LYS 88 1HB LYS 88 29.299 9.183 -9.651 948 1HG LYS 88 2HG LYS 88 30.825 7.881 -8.135 949 2HG LYS 88 1HG LYS 88 32.188 8.443 -9.106 950 1HD LYS 88 2HD LYS 88 31.868 10.692 -8.476 951 2HD LYS 88 1HD LYS 88 30.216 10.398 -7.933 952 1HE LYS 88 2HE LYS 88 31.347 10.487 -5.898 953 2HE LYS 88 1HE LYS 88 31.378 8.756 -6.232 954 1HZ LYS 88 1HZ LYS 88 33.572 9.247 -7.395 955 2HZ LYS 88 2HZ LYS 88 33.564 9.284 -5.697 956 3HZ LYS 88 3HZ LYS 88 33.542 10.735 -6.582 Start of MODEL 17 1 1H ARG 31 1H ARG 31 3.403 0.480 3.139 2 2H ARG 31 2H ARG 31 4.824 1.026 3.894 3 3H ARG 31 3H ARG 31 4.813 -0.460 3.071 4 HA ARG 31 HA ARG 31 4.145 0.951 1.033 5 1HB ARG 31 2HB ARG 31 4.156 2.950 2.868 6 2HB ARG 31 1HB ARG 31 5.818 3.061 2.289 7 1HG ARG 31 2HG ARG 31 4.877 4.353 0.654 8 2HG ARG 31 1HG ARG 31 4.506 2.790 -0.076 9 1HD ARG 31 2HD ARG 31 2.611 4.022 1.912 10 2HD ARG 31 1HD ARG 31 2.575 4.520 0.220 11 HE ARG 31 HE ARG 31 2.520 1.724 0.165 12 1HH1 ARG 31 1HH2 ARG 31 0.560 4.279 1.532 13 2HH1 ARG 31 2HH2 ARG 31 -0.897 3.354 1.427 14 1HH2 ARG 31 1HH1 ARG 31 0.612 0.563 0.049 15 2HH2 ARG 31 2HH1 ARG 31 -0.870 1.273 0.597 16 H SER 32 H SER 32 5.635 -1.109 1.103 17 HA SER 32 HA SER 32 8.443 -0.858 1.488 18 1HB SER 32 2HB SER 32 7.166 -2.671 -0.555 19 2HB SER 32 1HB SER 32 8.643 -2.941 0.366 20 HG SER 32 HG SER 32 7.485 -3.447 2.098 21 H ASP 33 H ASP 33 6.381 0.135 -1.156 22 HA ASP 33 HA ASP 33 8.617 0.455 -3.008 23 1HB ASP 33 2HB ASP 33 6.883 1.474 -4.500 24 2HB ASP 33 1HB ASP 33 6.482 -0.157 -3.959 25 H ALA 34 H ALA 34 8.011 2.141 -0.339 26 HA ALA 34 HA ALA 34 8.129 4.835 -1.498 27 1HB ALA 34 1HB ALA 34 6.779 4.900 0.390 28 2HB ALA 34 2HB ALA 34 8.335 5.354 1.086 29 3HB ALA 34 3HB ALA 34 7.747 3.698 1.244 30 H GLU 35 H GLU 35 10.295 2.380 -0.493 31 HA GLU 35 HA GLU 35 12.422 3.907 0.601 32 1HB GLU 35 2HB GLU 35 12.709 1.396 -1.069 33 2HB GLU 35 1HB GLU 35 13.835 2.005 0.137 34 1HG GLU 35 2HG GLU 35 11.103 1.661 1.176 35 2HG GLU 35 1HG GLU 35 11.830 0.158 0.614 36 HA PRO 36 HA PRO 36 14.111 4.487 -3.836 37 1HB PRO 36 2HB PRO 36 12.568 3.743 -5.963 38 2HB PRO 36 1HB PRO 36 13.671 2.641 -5.128 39 1HG PRO 36 2HG PRO 36 10.741 2.695 -5.126 40 2HG PRO 36 1HG PRO 36 11.843 1.382 -4.693 41 1HD PRO 36 2HD PRO 36 10.415 3.146 -2.928 42 2HD PRO 36 1HD PRO 36 11.504 1.822 -2.495 43 H HIS 37 H HIS 37 10.555 4.874 -3.913 44 HA HIS 37 HA HIS 37 9.244 6.788 -4.175 45 1HB HIS 37 2HB HIS 37 11.280 7.875 -2.920 46 2HB HIS 37 1HB HIS 37 11.665 8.532 -4.510 47 HD1 HIS 37 HD1 HIS 37 9.387 8.962 -1.643 48 HD2 HIS 37 HD2 HIS 37 9.511 10.187 -5.627 49 HE1 HIS 37 HE1 HIS 37 7.694 10.831 -1.871 50 H TYR 38 H TYR 38 11.221 5.471 -6.463 51 HA TYR 38 HA TYR 38 10.119 7.261 -8.581 52 1HB TYR 38 2HB TYR 38 12.090 6.452 -9.979 53 2HB TYR 38 1HB TYR 38 12.497 7.539 -8.655 54 HD1 TYR 38 HD1 TYR 38 12.496 3.998 -9.761 55 HD2 TYR 38 HD2 TYR 38 13.802 6.800 -6.779 56 HE1 TYR 38 HE1 TYR 38 14.026 2.287 -8.822 57 HE2 TYR 38 HE2 TYR 38 15.330 5.088 -5.839 58 HH TYR 38 HH TYR 38 16.515 2.817 -7.060 59 H LEU 39 H LEU 39 10.883 3.960 -7.579 60 HA LEU 39 HA LEU 39 10.108 2.492 -9.827 61 1HB LEU 39 2HB LEU 39 10.655 1.966 -7.112 62 2HB LEU 39 1HB LEU 39 9.070 1.261 -7.410 63 HG LEU 39 HG LEU 39 10.800 -0.396 -7.906 64 1HD1 LEU 39 1HD1 LEU 39 8.743 -0.138 -9.427 65 2HD1 LEU 39 2HD1 LEU 39 10.104 -1.042 -10.089 66 3HD1 LEU 39 3HD1 LEU 39 9.834 0.629 -10.582 67 1HD2 LEU 39 1HD2 LEU 39 11.990 1.924 -9.343 68 2HD2 LEU 39 2HD2 LEU 39 12.208 0.339 -10.083 69 3HD2 LEU 39 3HD2 LEU 39 12.782 0.632 -8.441 70 HA PRO 40 HA PRO 40 5.504 2.690 -8.396 71 1HB PRO 40 2HB PRO 40 4.833 4.519 -6.473 72 2HB PRO 40 1HB PRO 40 5.286 2.844 -6.124 73 1HG PRO 40 2HG PRO 40 6.852 5.333 -5.762 74 2HG PRO 40 1HG PRO 40 6.908 3.817 -4.855 75 1HD PRO 40 2HD PRO 40 8.754 4.619 -6.788 76 2HD PRO 40 1HD PRO 40 8.552 2.961 -6.185 77 H GLN 41 H GLN 41 7.462 5.542 -8.743 78 HA GLN 41 HA GLN 41 5.350 7.306 -9.683 79 1HB GLN 41 2HB GLN 41 7.462 8.213 -8.782 80 2HB GLN 41 1HB GLN 41 8.367 7.400 -10.057 81 1HG GLN 41 2HG GLN 41 8.073 9.722 -10.695 82 2HG GLN 41 1HG GLN 41 7.063 8.727 -11.745 83 1HE2 GLN 41 1HE2 GLN 41 5.359 10.238 -12.130 84 2HE2 GLN 41 2HE2 GLN 41 4.369 10.853 -10.895 85 H LEU 42 H LEU 42 7.628 5.023 -11.100 86 HA LEU 42 HA LEU 42 7.046 5.704 -13.829 87 1HB LEU 42 2HB LEU 42 8.239 3.199 -12.616 88 2HB LEU 42 1HB LEU 42 8.168 3.526 -14.326 89 HG LEU 42 HG LEU 42 10.084 4.697 -14.241 90 1HD1 LEU 42 1HD1 LEU 42 8.720 6.702 -13.503 91 2HD1 LEU 42 2HD1 LEU 42 10.411 6.729 -13.014 92 3HD1 LEU 42 3HD1 LEU 42 9.167 6.302 -11.845 93 1HD2 LEU 42 1HD2 LEU 42 11.024 3.229 -12.720 94 2HD2 LEU 42 2HD2 LEU 42 9.913 3.689 -11.430 95 3HD2 LEU 42 3HD2 LEU 42 11.239 4.763 -11.876 96 H ARG 43 H ARG 43 6.095 2.892 -11.802 97 HA ARG 43 HA ARG 43 4.376 1.629 -13.600 98 1HB ARG 43 2HB ARG 43 3.276 0.628 -11.696 99 2HB ARG 43 1HB ARG 43 4.980 0.783 -11.328 100 1HG ARG 43 2HG ARG 43 4.509 2.859 -10.073 101 2HG ARG 43 1HG ARG 43 2.789 2.644 -10.385 102 1HD ARG 43 2HD ARG 43 2.822 0.492 -9.206 103 2HD ARG 43 1HD ARG 43 4.553 0.665 -8.916 104 HE ARG 43 HE ARG 43 3.503 2.965 -7.819 105 1HH1 ARG 43 1HH2 ARG 43 2.801 -0.440 -7.443 106 2HH1 ARG 43 2HH2 ARG 43 2.274 -0.253 -5.808 107 1HH2 ARG 43 2HH1 ARG 43 2.812 3.159 -5.700 108 2HH2 ARG 43 1HH1 ARG 43 2.280 1.761 -4.829 109 H LYS 44 H LYS 44 3.558 4.369 -11.439 110 HA LYS 44 HA LYS 44 0.828 4.460 -12.262 111 1HB LYS 44 2HB LYS 44 0.800 6.706 -11.267 112 2HB LYS 44 1HB LYS 44 1.621 5.574 -10.203 113 1HG LYS 44 2HG LYS 44 3.770 6.392 -10.863 114 2HG LYS 44 1HG LYS 44 3.084 7.335 -12.181 115 1HD LYS 44 2HD LYS 44 3.539 8.862 -10.372 116 2HD LYS 44 1HD LYS 44 1.791 8.644 -10.448 117 1HE LYS 44 2HE LYS 44 1.966 6.906 -8.666 118 2HE LYS 44 1HE LYS 44 3.692 7.245 -8.544 119 1HZ LYS 44 1HZ LYS 44 2.991 9.635 -8.167 120 2HZ LYS 44 2HZ LYS 44 2.698 8.544 -6.898 121 3HZ LYS 44 3HZ LYS 44 1.425 9.035 -7.911 122 H ASP 45 H ASP 45 3.827 5.680 -13.641 123 HA ASP 45 HA ASP 45 2.647 7.557 -15.449 124 1HB ASP 45 2HB ASP 45 5.225 5.978 -15.667 125 2HB ASP 45 1HB ASP 45 4.765 7.285 -16.739 126 H ILE 46 H ILE 46 3.554 4.090 -15.865 127 HA ILE 46 HA ILE 46 2.680 3.873 -18.566 128 HB ILE 46 HB ILE 46 3.950 2.145 -17.066 129 1HG1 ILE 46 2HG1 ILE 46 3.156 0.339 -18.620 130 2HG1 ILE 46 1HG1 ILE 46 1.902 1.447 -19.172 131 1HG2 ILE 46 1HG2 ILE 46 2.798 0.635 -15.813 132 2HG2 ILE 46 2HG2 ILE 46 1.398 0.662 -16.884 133 3HG2 ILE 46 3HG2 ILE 46 1.622 1.940 -15.695 134 1HD1 ILE 46 1HD1 ILE 46 3.379 2.361 -20.593 135 2HD1 ILE 46 2HD1 ILE 46 4.649 1.311 -19.972 136 3HD1 ILE 46 3HD1 ILE 46 4.358 2.878 -19.222 137 H LEU 47 H LEU 47 0.857 3.822 -15.544 138 HA LEU 47 HA LEU 47 -1.634 2.910 -16.614 139 1HB LEU 47 2HB LEU 47 -0.860 4.624 -14.255 140 2HB LEU 47 1HB LEU 47 -2.555 4.362 -14.658 141 HG LEU 47 HG LEU 47 -0.576 2.105 -14.277 142 1HD1 LEU 47 1HD1 LEU 47 -2.651 3.065 -12.294 143 2HD1 LEU 47 2HD1 LEU 47 -0.954 3.537 -12.208 144 3HD1 LEU 47 3HD1 LEU 47 -1.408 1.840 -12.042 145 1HD2 LEU 47 1HD2 LEU 47 -2.940 1.005 -13.803 146 2HD2 LEU 47 2HD2 LEU 47 -2.368 1.212 -15.458 147 3HD2 LEU 47 3HD2 LEU 47 -3.522 2.357 -14.774 148 H GLU 48 H GLU 48 -0.187 6.128 -16.278 149 HA GLU 48 HA GLU 48 -2.411 7.519 -17.510 150 1HB GLU 48 2HB GLU 48 0.337 8.695 -17.632 151 2HB GLU 48 1HB GLU 48 -1.193 9.476 -17.251 152 1HG GLU 48 2HG GLU 48 -0.905 7.723 -15.141 153 2HG GLU 48 1HG GLU 48 0.755 8.184 -15.468 154 H VAL 49 H VAL 49 0.656 6.155 -18.564 155 HA VAL 49 HA VAL 49 0.672 7.137 -21.238 156 HB VAL 49 HB VAL 49 1.720 4.481 -20.204 157 1HG1 VAL 49 1HG1 VAL 49 3.396 5.409 -22.214 158 2HG1 VAL 49 2HG1 VAL 49 1.789 5.813 -22.815 159 3HG1 VAL 49 3HG1 VAL 49 2.179 4.148 -22.389 160 1HG2 VAL 49 1HG2 VAL 49 3.477 5.585 -19.277 161 2HG2 VAL 49 2HG2 VAL 49 2.444 7.012 -19.350 162 3HG2 VAL 49 3HG2 VAL 49 3.607 6.700 -20.637 163 H ILE 50 H ILE 50 -0.377 3.899 -20.066 164 HA ILE 50 HA ILE 50 -1.649 3.065 -22.461 165 HB ILE 50 HB ILE 50 -2.518 2.438 -19.621 166 1HG1 ILE 50 2HG1 ILE 50 -0.838 0.566 -21.209 167 2HG1 ILE 50 1HG1 ILE 50 -0.030 2.011 -20.601 168 1HG2 ILE 50 1HG2 ILE 50 -2.976 1.074 -22.286 169 2HG2 ILE 50 2HG2 ILE 50 -4.198 1.734 -21.200 170 3HG2 ILE 50 3HG2 ILE 50 -3.285 0.300 -20.732 171 1HD1 ILE 50 1HD1 ILE 50 -1.038 1.466 -18.325 172 2HD1 ILE 50 2HD1 ILE 50 0.210 0.355 -18.892 173 3HD1 ILE 50 3HD1 ILE 50 -1.491 -0.100 -19.002 174 H CYS 51 H CYS 51 -2.631 5.394 -20.057 175 HA CYS 51 HA CYS 51 -5.416 5.487 -20.803 176 1HB CYS 51 2HB CYS 51 -4.274 6.334 -18.620 177 2HB CYS 51 1HB CYS 51 -3.893 7.775 -19.564 178 HG CYS 51 HG CYS 51 -6.543 7.268 -18.335 179 H LYS 52 H LYS 52 -2.560 7.482 -21.585 180 HA LYS 52 HA LYS 52 -3.834 9.372 -23.269 181 1HB LYS 52 2HB LYS 52 -1.050 8.225 -23.613 182 2HB LYS 52 1HB LYS 52 -1.636 9.745 -24.282 183 1HG LYS 52 2HG LYS 52 -1.630 10.812 -22.224 184 2HG LYS 52 1HG LYS 52 -1.828 9.308 -21.326 185 1HD LYS 52 2HD LYS 52 0.411 9.550 -20.927 186 2HD LYS 52 1HD LYS 52 0.571 8.844 -22.535 187 1HE LYS 52 2HE LYS 52 1.867 10.766 -22.756 188 2HE LYS 52 1HE LYS 52 0.304 11.336 -23.340 189 1HZ LYS 52 1HZ LYS 52 -0.066 11.910 -20.858 190 2HZ LYS 52 2HZ LYS 52 0.869 12.948 -21.827 191 3HZ LYS 52 3HZ LYS 52 1.627 11.858 -20.766 192 H TYR 53 H TYR 53 -2.757 6.090 -23.938 193 HA TYR 53 HA TYR 53 -3.506 6.383 -26.793 194 1HB TYR 53 2HB TYR 53 -2.086 4.155 -25.301 195 2HB TYR 53 1HB TYR 53 -2.393 4.180 -27.027 196 HD1 TYR 53 HD1 TYR 53 -0.892 6.412 -24.399 197 HD2 TYR 53 HD2 TYR 53 -0.663 4.914 -28.410 198 HE1 TYR 53 HE1 TYR 53 1.214 7.651 -24.722 199 HE2 TYR 53 HE2 TYR 53 1.456 6.163 -28.741 200 HH TYR 53 HH TYR 53 3.375 7.111 -26.657 201 H VAL 54 H VAL 54 -4.726 5.123 -23.810 202 HA VAL 54 HA VAL 54 -7.046 3.967 -25.218 203 HB VAL 54 HB VAL 54 -5.716 2.196 -23.164 204 1HG1 VAL 54 1HG1 VAL 54 -7.125 0.555 -24.017 205 2HG1 VAL 54 2HG1 VAL 54 -7.212 1.308 -25.609 206 3HG1 VAL 54 3HG1 VAL 54 -8.111 1.996 -24.257 207 1HG2 VAL 54 1HG2 VAL 54 -5.133 2.128 -26.147 208 2HG2 VAL 54 2HG2 VAL 54 -4.558 0.967 -24.951 209 3HG2 VAL 54 3HG2 VAL 54 -3.986 2.635 -24.907 210 H GLN 55 H GLN 55 -7.540 2.579 -22.368 211 HA GLN 55 HA GLN 55 -7.680 4.758 -20.505 212 1HB GLN 55 2HB GLN 55 -9.794 4.588 -22.467 213 2HB GLN 55 1HB GLN 55 -10.449 4.299 -20.857 214 1HG GLN 55 2HG GLN 55 -9.392 6.375 -20.048 215 2HG GLN 55 1HG GLN 55 -8.730 6.667 -21.656 216 1HE2 GLN 55 1HE2 GLN 55 -11.802 6.446 -19.841 217 2HE2 GLN 55 2HE2 GLN 55 -12.718 7.321 -20.970 218 H ILE 56 H ILE 56 -7.295 3.558 -18.749 219 HA ILE 56 HA ILE 56 -9.110 1.277 -18.138 220 HB ILE 56 HB ILE 56 -6.994 0.122 -17.173 221 1HG1 ILE 56 2HG1 ILE 56 -5.467 1.364 -19.391 222 2HG1 ILE 56 1HG1 ILE 56 -5.740 2.406 -17.995 223 1HG2 ILE 56 1HG2 ILE 56 -8.418 -0.192 -19.470 224 2HG2 ILE 56 2HG2 ILE 56 -7.097 -1.250 -18.977 225 3HG2 ILE 56 3HG2 ILE 56 -6.799 0.059 -20.120 226 1HD1 ILE 56 1HD1 ILE 56 -5.014 0.220 -16.662 227 2HD1 ILE 56 2HD1 ILE 56 -3.804 1.326 -17.314 228 3HD1 ILE 56 3HD1 ILE 56 -4.202 -0.155 -18.182 229 H ASP 57 H ASP 57 -8.845 0.648 -15.770 230 HA ASP 57 HA ASP 57 -8.473 3.131 -14.168 231 1HB ASP 57 2HB ASP 57 -10.091 0.621 -13.817 232 2HB ASP 57 1HB ASP 57 -9.637 1.562 -12.397 233 HA PRO 58 HA PRO 58 -4.909 1.440 -12.154 234 1HB PRO 58 2HB PRO 58 -5.211 2.325 -9.582 235 2HB PRO 58 1HB PRO 58 -4.749 3.381 -10.927 236 1HG PRO 58 2HG PRO 58 -7.367 3.117 -9.546 237 2HG PRO 58 1HG PRO 58 -6.621 4.538 -10.292 238 1HD PRO 58 2HD PRO 58 -8.648 3.009 -11.446 239 2HD PRO 58 1HD PRO 58 -7.561 4.097 -12.335 240 H GLU 59 H GLU 59 -8.031 0.818 -10.665 241 HA GLU 59 HA GLU 59 -7.161 -1.339 -8.954 242 1HB GLU 59 2HB GLU 59 -9.840 -0.515 -10.083 243 2HB GLU 59 1HB GLU 59 -9.657 -1.963 -9.092 244 1HG GLU 59 2HG GLU 59 -8.842 -0.681 -7.226 245 2HG GLU 59 1HG GLU 59 -8.714 0.777 -8.213 246 H MET 60 H MET 60 -7.477 -1.069 -12.368 247 HA MET 60 HA MET 60 -8.004 -3.949 -12.752 248 1HB MET 60 2HB MET 60 -7.751 -1.561 -14.583 249 2HB MET 60 1HB MET 60 -7.680 -3.200 -15.223 250 1HG MET 60 2HG MET 60 -9.872 -3.706 -14.527 251 2HG MET 60 1HG MET 60 -9.910 -2.370 -13.377 252 1HE MET 60 1HE MET 60 -9.874 -3.718 -16.690 253 2HE MET 60 2HE MET 60 -9.063 -2.393 -17.520 254 3HE MET 60 3HE MET 60 -10.796 -2.627 -17.733 255 H VAL 61 H VAL 61 -5.330 -1.714 -12.618 256 HA VAL 61 HA VAL 61 -3.515 -3.699 -13.878 257 HB VAL 61 HB VAL 61 -2.904 -0.897 -12.893 258 1HG1 VAL 61 1HG1 VAL 61 -0.999 -2.553 -13.162 259 2HG1 VAL 61 2HG1 VAL 61 -0.874 -1.111 -14.170 260 3HG1 VAL 61 3HG1 VAL 61 -1.412 -2.635 -14.874 261 1HG2 VAL 61 1HG2 VAL 61 -4.098 -1.947 -15.410 262 2HG2 VAL 61 2HG2 VAL 61 -2.846 -0.718 -15.590 263 3HG2 VAL 61 3HG2 VAL 61 -4.293 -0.369 -14.646 264 H THR 62 H THR 62 -2.517 -5.125 -12.538 265 HA THR 62 HA THR 62 -2.419 -4.589 -9.653 266 HB THR 62 HB THR 62 -1.311 -7.054 -10.978 267 HG1 THR 62 HG1 THR 62 -3.470 -7.880 -10.781 268 1HG2 THR 62 1HG2 THR 62 -2.401 -7.998 -8.827 269 2HG2 THR 62 2HG2 THR 62 -2.489 -6.316 -8.306 270 3HG2 THR 62 3HG2 THR 62 -0.923 -7.050 -8.656 271 H VAL 63 H VAL 63 -0.387 -4.926 -8.458 272 HA VAL 63 HA VAL 63 2.096 -4.571 -10.052 273 HB VAL 63 HB VAL 63 1.350 -2.824 -7.691 274 1HG1 VAL 63 1HG1 VAL 63 3.638 -2.714 -7.642 275 2HG1 VAL 63 2HG1 VAL 63 3.396 -1.580 -8.970 276 3HG1 VAL 63 3HG1 VAL 63 3.800 -3.262 -9.310 277 1HG2 VAL 63 1HG2 VAL 63 1.115 -2.461 -10.658 278 2HG2 VAL 63 2HG2 VAL 63 1.510 -1.064 -9.657 279 3HG2 VAL 63 3HG2 VAL 63 0.010 -1.952 -9.382 280 H GLN 64 H GLN 64 3.719 -5.824 -9.213 281 HA GLN 64 HA GLN 64 3.639 -6.578 -6.356 282 1HB GLN 64 2HB GLN 64 3.950 -9.005 -6.991 283 2HB GLN 64 1HB GLN 64 2.350 -8.360 -7.350 284 1HG GLN 64 2HG GLN 64 4.230 -7.959 -9.561 285 2HG GLN 64 1HG GLN 64 4.024 -9.662 -9.157 286 1HE2 GLN 64 1HE2 GLN 64 2.113 -10.663 -9.874 287 2HE2 GLN 64 2HE2 GLN 64 0.794 -9.835 -10.547 288 H LEU 65 H LEU 65 5.664 -6.438 -5.546 289 HA LEU 65 HA LEU 65 7.923 -6.397 -7.458 290 1HB LEU 65 2HB LEU 65 9.148 -5.305 -5.608 291 2HB LEU 65 1HB LEU 65 7.706 -4.415 -6.070 292 HG LEU 65 HG LEU 65 6.971 -6.338 -4.062 293 1HD1 LEU 65 1HD1 LEU 65 9.453 -4.718 -3.484 294 2HD1 LEU 65 2HD1 LEU 65 9.179 -6.440 -3.208 295 3HD1 LEU 65 3HD1 LEU 65 8.367 -5.244 -2.196 296 1HD2 LEU 65 1HD2 LEU 65 7.217 -3.312 -4.027 297 2HD2 LEU 65 2HD2 LEU 65 6.348 -4.265 -2.824 298 3HD2 LEU 65 3HD2 LEU 65 5.790 -4.237 -4.496 299 H GLU 66 H GLU 66 9.351 -8.031 -7.498 300 HA GLU 66 HA GLU 66 9.390 -9.927 -5.186 301 1HB GLU 66 2HB GLU 66 9.675 -10.410 -8.155 302 2HB GLU 66 1HB GLU 66 10.258 -11.581 -6.977 303 1HG GLU 66 2HG GLU 66 7.420 -10.538 -7.200 304 2HG GLU 66 1HG GLU 66 7.973 -12.124 -7.729 305 H GLN 67 H GLN 67 11.657 -11.209 -5.340 306 HA GLN 67 HA GLN 67 13.813 -9.286 -6.037 307 1HB GLN 67 2HB GLN 67 13.626 -10.653 -3.339 308 2HB GLN 67 1HB GLN 67 14.859 -9.502 -3.856 309 1HG GLN 67 2HG GLN 67 12.962 -7.839 -4.240 310 2HG GLN 67 1HG GLN 67 11.918 -8.973 -3.383 311 1HE2 GLN 67 1HE2 GLN 67 12.473 -6.349 -2.353 312 2HE2 GLN 67 2HE2 GLN 67 13.375 -6.520 -0.926 313 H LYS 68 H LYS 68 16.024 -10.407 -5.666 314 HA LYS 68 HA LYS 68 15.801 -13.297 -6.415 315 1HB LYS 68 2HB LYS 68 17.908 -11.414 -7.496 316 2HB LYS 68 1HB LYS 68 17.505 -13.031 -8.068 317 1HG LYS 68 2HG LYS 68 15.130 -11.997 -8.493 318 2HG LYS 68 1HG LYS 68 15.996 -10.460 -8.457 319 1HD LYS 68 2HD LYS 68 17.648 -11.801 -10.078 320 2HD LYS 68 1HD LYS 68 16.166 -12.685 -10.433 321 1HE LYS 68 2HE LYS 68 15.487 -9.931 -10.423 322 2HE LYS 68 1HE LYS 68 16.971 -10.087 -11.357 323 1HZ LYS 68 1HZ LYS 68 14.860 -12.055 -11.835 324 2HZ LYS 68 2HZ LYS 68 15.979 -11.376 -12.915 325 3HZ LYS 68 3HZ LYS 68 14.617 -10.486 -12.430 326 H ASP 69 H ASP 69 17.915 -14.467 -6.030 327 HA ASP 69 HA ASP 69 18.881 -13.875 -3.361 328 1HB ASP 69 2HB ASP 69 19.305 -16.040 -5.376 329 2HB ASP 69 1HB ASP 69 20.497 -15.856 -4.089 330 H GLY 70 H GLY 70 19.832 -12.856 -6.491 331 1HA GLY 70 2HA GLY 70 22.657 -12.453 -5.684 332 2HA GLY 70 1HA GLY 70 22.009 -12.214 -7.305 333 H ASP 71 H ASP 71 20.454 -10.938 -4.424 334 HA ASP 71 HA ASP 71 20.008 -8.745 -3.754 335 1HB ASP 71 2HB ASP 71 22.765 -8.487 -4.943 336 2HB ASP 71 1HB ASP 71 21.899 -7.064 -4.367 337 H ILE 72 H ILE 72 18.665 -9.538 -5.983 338 HA ILE 72 HA ILE 72 18.677 -7.071 -7.664 339 HB ILE 72 HB ILE 72 17.905 -9.811 -8.673 340 1HG1 ILE 72 2HG1 ILE 72 20.598 -8.408 -8.748 341 2HG1 ILE 72 1HG1 ILE 72 20.238 -9.967 -8.023 342 1HG2 ILE 72 1HG2 ILE 72 18.301 -8.671 -10.871 343 2HG2 ILE 72 2HG2 ILE 72 18.628 -7.173 -9.998 344 3HG2 ILE 72 3HG2 ILE 72 17.024 -7.902 -9.929 345 1HD1 ILE 72 1HD1 ILE 72 19.626 -10.833 -10.297 346 2HD1 ILE 72 2HD1 ILE 72 21.319 -10.355 -10.162 347 3HD1 ILE 72 3HD1 ILE 72 20.167 -9.299 -10.980 348 H SER 73 H SER 73 16.530 -6.538 -8.552 349 HA SER 73 HA SER 73 14.330 -7.548 -6.793 350 1HB SER 73 2HB SER 73 14.908 -4.832 -7.957 351 2HB SER 73 1HB SER 73 13.267 -5.277 -7.494 352 HG SER 73 HG SER 73 14.105 -5.771 -5.409 353 H ILE 74 H ILE 74 12.142 -7.379 -7.872 354 HA ILE 74 HA ILE 74 12.201 -7.625 -10.818 355 HB ILE 74 HB ILE 74 11.275 -9.816 -8.945 356 1HG1 ILE 74 2HG1 ILE 74 13.449 -9.643 -11.044 357 2HG1 ILE 74 1HG1 ILE 74 13.672 -9.813 -9.308 358 1HG2 ILE 74 1HG2 ILE 74 9.725 -9.437 -10.906 359 2HG2 ILE 74 2HG2 ILE 74 10.496 -11.020 -10.903 360 3HG2 ILE 74 3HG2 ILE 74 11.092 -9.752 -11.973 361 1HD1 ILE 74 1HD1 ILE 74 13.944 -12.013 -10.074 362 2HD1 ILE 74 2HD1 ILE 74 12.671 -11.852 -11.283 363 3HD1 ILE 74 3HD1 ILE 74 12.254 -11.986 -9.575 364 H LEU 75 H LEU 75 10.942 -5.619 -10.589 365 HA LEU 75 HA LEU 75 8.396 -5.719 -9.169 366 1HB LEU 75 2HB LEU 75 9.912 -3.660 -9.440 367 2HB LEU 75 1HB LEU 75 9.261 -3.555 -11.071 368 HG LEU 75 HG LEU 75 7.090 -3.959 -9.204 369 1HD1 LEU 75 1HD1 LEU 75 7.580 -1.417 -8.355 370 2HD1 LEU 75 2HD1 LEU 75 9.217 -2.073 -8.375 371 3HD1 LEU 75 3HD1 LEU 75 7.965 -2.856 -7.410 372 1HD2 LEU 75 1HD2 LEU 75 6.492 -2.948 -11.209 373 2HD2 LEU 75 2HD2 LEU 75 7.947 -1.953 -11.262 374 3HD2 LEU 75 3HD2 LEU 75 6.628 -1.529 -10.172 375 H GLU 76 H GLU 76 6.898 -7.009 -10.086 376 HA GLU 76 HA GLU 76 6.478 -6.849 -13.033 377 1HB GLU 76 2HB GLU 76 5.200 -8.792 -11.089 378 2HB GLU 76 1HB GLU 76 5.274 -8.924 -12.842 379 1HG GLU 76 2HG GLU 76 7.126 -10.188 -12.537 380 2HG GLU 76 1HG GLU 76 7.950 -8.689 -12.109 381 H LEU 77 H LEU 77 4.305 -6.427 -13.811 382 HA LEU 77 HA LEU 77 2.313 -5.563 -11.797 383 1HB LEU 77 2HB LEU 77 1.927 -3.424 -13.092 384 2HB LEU 77 1HB LEU 77 3.446 -3.481 -12.199 385 HG LEU 77 HG LEU 77 3.409 -4.416 -15.049 386 1HD1 LEU 77 1HD1 LEU 77 3.412 -2.285 -15.955 387 2HD1 LEU 77 2HD1 LEU 77 3.954 -1.536 -14.455 388 3HD1 LEU 77 3HD1 LEU 77 2.276 -2.051 -14.627 389 1HD2 LEU 77 1HD2 LEU 77 5.361 -3.290 -13.061 390 2HD2 LEU 77 2HD2 LEU 77 5.696 -3.130 -14.784 391 3HD2 LEU 77 3HD2 LEU 77 5.510 -4.729 -14.067 392 H ASN 78 H ASN 78 0.318 -6.215 -12.416 393 HA ASN 78 HA ASN 78 -0.018 -7.412 -15.092 394 1HB ASN 78 2HB ASN 78 -2.056 -7.200 -12.869 395 2HB ASN 78 1HB ASN 78 -2.036 -8.338 -14.201 396 1HD2 ASN 78 1HD2 ASN 78 0.909 -8.879 -13.916 397 2HD2 ASN 78 2HD2 ASN 78 1.063 -9.833 -12.523 398 H VAL 79 H VAL 79 -1.465 -6.591 -16.627 399 HA VAL 79 HA VAL 79 -2.769 -3.989 -15.939 400 HB VAL 79 HB VAL 79 -1.609 -4.673 -18.649 401 1HG1 VAL 79 1HG1 VAL 79 -2.143 -2.478 -19.230 402 2HG1 VAL 79 2HG1 VAL 79 -2.160 -1.933 -17.553 403 3HG1 VAL 79 3HG1 VAL 79 -3.496 -2.901 -18.180 404 1HG2 VAL 79 1HG2 VAL 79 -0.394 -2.836 -16.569 405 2HG2 VAL 79 2HG2 VAL 79 0.322 -3.359 -18.091 406 3HG2 VAL 79 3HG2 VAL 79 0.119 -4.510 -16.773 407 H THR 80 H THR 80 -4.802 -4.938 -15.625 408 HA THR 80 HA THR 80 -5.959 -6.784 -17.557 409 HB THR 80 HB THR 80 -7.191 -5.223 -15.263 410 HG1 THR 80 HG1 THR 80 -6.293 -6.735 -14.158 411 1HG2 THR 80 1HG2 THR 80 -9.067 -5.745 -16.535 412 2HG2 THR 80 2HG2 THR 80 -8.916 -7.195 -15.546 413 3HG2 THR 80 3HG2 THR 80 -8.331 -7.196 -17.210 414 H LEU 81 H LEU 81 -6.270 -5.906 -19.585 415 HA LEU 81 HA LEU 81 -7.373 -3.178 -19.860 416 1HB LEU 81 2HB LEU 81 -6.299 -5.256 -21.774 417 2HB LEU 81 1HB LEU 81 -7.212 -3.876 -22.368 418 HG LEU 81 HG LEU 81 -4.797 -3.412 -22.426 419 1HD1 LEU 81 1HD1 LEU 81 -6.747 -1.753 -21.439 420 2HD1 LEU 81 2HD1 LEU 81 -5.097 -1.250 -21.803 421 3HD1 LEU 81 3HD1 LEU 81 -5.542 -1.686 -20.154 422 1HD2 LEU 81 1HD2 LEU 81 -4.277 -4.951 -20.481 423 2HD2 LEU 81 2HD2 LEU 81 -4.860 -3.678 -19.409 424 3HD2 LEU 81 3HD2 LEU 81 -3.450 -3.394 -20.430 425 HA PRO 82 HA PRO 82 -11.486 -4.971 -20.239 426 1HB PRO 82 2HB PRO 82 -12.813 -2.659 -20.826 427 2HB PRO 82 1HB PRO 82 -12.245 -3.066 -19.200 428 1HG PRO 82 2HG PRO 82 -11.201 -1.073 -21.107 429 2HG PRO 82 1HG PRO 82 -11.063 -1.129 -19.345 430 1HD PRO 82 2HD PRO 82 -9.061 -1.846 -21.237 431 2HD PRO 82 1HD PRO 82 -9.006 -2.076 -19.478 432 H GLU 83 H GLU 83 -13.416 -4.592 -21.940 433 HA GLU 83 HA GLU 83 -12.517 -5.519 -24.468 434 1HB GLU 83 2HB GLU 83 -15.088 -4.613 -23.304 435 2HB GLU 83 1HB GLU 83 -14.975 -4.519 -25.061 436 1HG GLU 83 2HG GLU 83 -14.364 -6.869 -25.198 437 2HG GLU 83 1HG GLU 83 -14.318 -6.991 -23.439 438 H ALA 84 H ALA 84 -12.852 -4.387 -26.576 439 HA ALA 84 HA ALA 84 -13.146 -1.574 -26.807 440 1HB ALA 84 1HB ALA 84 -10.783 -2.028 -25.598 441 2HB ALA 84 2HB ALA 84 -11.019 -0.698 -26.731 442 3HB ALA 84 3HB ALA 84 -10.272 -2.198 -27.277 443 H GLU 85 H GLU 85 -13.672 -1.263 -28.919 444 HA GLU 85 HA GLU 85 -12.227 -2.508 -31.092 445 1HB GLU 85 2HB GLU 85 -14.795 -3.682 -30.131 446 2HB GLU 85 1HB GLU 85 -14.573 -3.548 -31.876 447 1HG GLU 85 2HG GLU 85 -12.177 -4.564 -31.273 448 2HG GLU 85 1HG GLU 85 -13.073 -5.205 -29.895 449 H GLU 86 H GLU 86 -12.949 0.162 -30.320 450 HA GLU 86 HA GLU 86 -13.773 2.132 -31.288 451 1HB GLU 86 2HB GLU 86 -12.721 0.842 -33.327 452 2HB GLU 86 1HB GLU 86 -14.404 0.614 -33.803 453 1HG GLU 86 2HG GLU 86 -14.773 3.048 -33.701 454 2HG GLU 86 1HG GLU 86 -13.096 3.286 -33.210 455 H LEU 87 H LEU 87 -15.602 0.236 -29.924 456 HA LEU 87 HA LEU 87 -18.146 0.680 -31.405 457 1HB LEU 87 2HB LEU 87 -17.226 -1.213 -29.297 458 2HB LEU 87 1HB LEU 87 -18.917 -0.713 -29.234 459 HG LEU 87 HG LEU 87 -17.628 -1.694 -31.785 460 1HD1 LEU 87 1HD1 LEU 87 -18.473 -3.903 -31.316 461 2HD1 LEU 87 2HD1 LEU 87 -19.264 -3.345 -29.841 462 3HD1 LEU 87 3HD1 LEU 87 -17.504 -3.410 -29.928 463 1HD2 LEU 87 1HD2 LEU 87 -20.227 -2.323 -31.968 464 2HD2 LEU 87 2HD2 LEU 87 -19.629 -0.723 -32.408 465 3HD2 LEU 87 3HD2 LEU 87 -20.367 -0.986 -30.828 466 H LYS 88 HN LYS 88 -20.024 1.449 -30.063 467 HA LYS 88 HA LYS 88 -19.165 3.282 -27.864 468 1HB LYS 88 2HB LYS 88 -20.821 4.945 -28.754 469 2HB LYS 88 1HB LYS 88 -19.466 4.658 -29.847 470 1HG LYS 88 2HG LYS 88 -20.813 3.125 -31.182 471 2HG LYS 88 1HG LYS 88 -22.157 3.276 -30.050 472 1HD LYS 88 2HD LYS 88 -22.021 5.816 -30.541 473 2HD LYS 88 1HD LYS 88 -21.060 5.350 -31.945 474 1HE LYS 88 2HE LYS 88 -23.200 5.336 -32.857 475 2HE LYS 88 1HE LYS 88 -23.042 3.652 -32.354 476 1HZ LYS 88 1HZ LYS 88 -25.085 4.324 -31.505 477 2HZ LYS 88 2HZ LYS 88 -24.504 5.844 -31.018 478 3HZ LYS 88 3HZ LYS 88 -24.045 4.444 -30.172 479 1H ARG 31 1H ARG 31 4.701 -11.837 -33.748 480 2H ARG 31 2H ARG 31 3.379 -11.551 -34.777 481 3H ARG 31 3H ARG 31 3.132 -12.231 -33.240 482 HA ARG 31 HA ARG 31 4.224 -10.074 -32.378 483 1HB ARG 31 2HB ARG 31 4.509 -9.588 -35.033 484 2HB ARG 31 1HB ARG 31 2.955 -8.809 -34.747 485 1HG ARG 31 2HG ARG 31 4.259 -7.039 -34.122 486 2HG ARG 31 1HG ARG 31 4.340 -7.910 -32.590 487 1HD ARG 31 2HD ARG 31 6.310 -8.516 -34.784 488 2HD ARG 31 1HD ARG 31 6.569 -7.142 -33.709 489 HE ARG 31 HE ARG 31 6.033 -9.304 -32.020 490 1HH1 ARG 31 1HH2 ARG 31 8.390 -8.527 -34.485 491 2HH1 ARG 31 2HH2 ARG 31 9.622 -9.497 -33.755 492 1HH2 ARG 31 1HH1 ARG 31 7.655 -10.547 -31.110 493 2HH2 ARG 31 2HH1 ARG 31 9.212 -10.630 -31.866 494 H SER 32 H SER 32 2.331 -11.408 -31.330 495 HA SER 32 HA SER 32 -0.380 -10.843 -31.984 496 1HB SER 32 2HB SER 32 0.623 -11.331 -29.181 497 2HB SER 32 1HB SER 32 -0.937 -11.770 -29.870 498 HG SER 32 HG SER 32 -0.037 -13.427 -30.888 499 H ASP 33 H ASP 33 2.026 -8.953 -30.291 500 HA ASP 33 HA ASP 33 0.043 -7.141 -29.142 501 1HB ASP 33 2HB ASP 33 2.053 -5.836 -28.416 502 2HB ASP 33 1HB ASP 33 2.061 -7.512 -27.866 503 H ALA 34 H ALA 34 0.805 -7.519 -32.241 504 HA ALA 34 HA ALA 34 1.342 -4.710 -32.896 505 1HB ALA 34 1HB ALA 34 2.539 -6.054 -34.363 506 2HB ALA 34 2HB ALA 34 1.070 -5.778 -35.300 507 3HB ALA 34 3HB ALA 34 1.282 -7.288 -34.414 508 H GLU 35 H GLU 35 -1.361 -6.757 -32.418 509 HA GLU 35 HA GLU 35 -3.188 -5.757 -34.345 510 1HB GLU 35 2HB GLU 35 -3.881 -6.677 -31.544 511 2HB GLU 35 1HB GLU 35 -4.934 -6.671 -32.952 512 1HG GLU 35 2HG GLU 35 -2.417 -8.128 -33.397 513 2HG GLU 35 1HG GLU 35 -3.405 -8.818 -32.113 514 HA PRO 36 HA PRO 36 -4.400 -2.341 -31.224 515 1HB PRO 36 2HB PRO 36 -2.905 -2.000 -28.966 516 2HB PRO 36 1HB PRO 36 -4.272 -3.117 -29.069 517 1HG PRO 36 2HG PRO 36 -1.405 -3.698 -28.897 518 2HG PRO 36 1HG PRO 36 -2.788 -4.744 -28.552 519 1HD PRO 36 2HD PRO 36 -1.144 -4.706 -30.912 520 2HD PRO 36 1HD PRO 36 -2.517 -5.762 -30.560 521 H HIS 37 H HIS 37 -0.847 -2.745 -31.142 522 HA HIS 37 HA HIS 37 0.856 -1.376 -31.963 523 1HB HIS 37 2HB HIS 37 -0.986 -0.831 -33.756 524 2HB HIS 37 1HB HIS 37 -1.112 0.698 -32.886 525 HD1 HIS 37 HD1 HIS 37 1.000 -1.134 -35.291 526 HD2 HIS 37 HD2 HIS 37 1.417 2.189 -32.808 527 HE1 HIS 37 HE1 HIS 37 3.062 0.102 -36.087 528 H TYR 38 H TYR 38 -1.191 -0.641 -29.483 529 HA TYR 38 HA TYR 38 0.411 1.766 -28.748 530 1HB TYR 38 2HB TYR 38 -1.584 2.374 -27.284 531 2HB TYR 38 1HB TYR 38 -1.843 2.531 -29.019 532 HD1 TYR 38 HD1 TYR 38 -2.515 0.415 -26.048 533 HD2 TYR 38 HD2 TYR 38 -3.404 1.130 -30.189 534 HE1 TYR 38 HE1 TYR 38 -4.435 -1.150 -25.907 535 HE2 TYR 38 HE2 TYR 38 -5.321 -0.436 -30.048 536 HH TYR 38 HH TYR 38 -6.872 -1.243 -27.813 537 H LEU 39 H LEU 39 -1.103 -1.239 -27.672 538 HA LEU 39 HA LEU 39 -0.502 -1.228 -24.943 539 1HB LEU 39 2HB LEU 39 -1.338 -3.118 -26.861 540 2HB LEU 39 1HB LEU 39 0.079 -3.831 -26.097 541 HG LEU 39 HG LEU 39 -1.923 -4.467 -24.845 542 1HD1 LEU 39 1HD1 LEU 39 0.243 -3.808 -23.626 543 2HD1 LEU 39 2HD1 LEU 39 -1.229 -3.837 -22.656 544 3HD1 LEU 39 3HD1 LEU 39 -0.576 -2.300 -23.221 545 1HD2 LEU 39 1HD2 LEU 39 -2.491 -1.558 -25.131 546 2HD2 LEU 39 2HD2 LEU 39 -2.989 -2.316 -23.620 547 3HD2 LEU 39 3HD2 LEU 39 -3.600 -2.929 -25.156 548 HA PRO 40 HA PRO 40 3.927 -2.891 -25.892 549 1HB PRO 40 2HB PRO 40 4.835 -2.733 -28.469 550 2HB PRO 40 1HB PRO 40 4.015 -4.151 -27.798 551 1HG PRO 40 2HG PRO 40 2.990 -2.088 -29.662 552 2HG PRO 40 1HG PRO 40 2.551 -3.792 -29.507 553 1HD PRO 40 2HD PRO 40 1.057 -1.639 -28.547 554 2HD PRO 40 1HD PRO 40 0.859 -3.332 -28.046 555 H GLN 41 H GLN 41 2.646 -0.044 -27.423 556 HA GLN 41 HA GLN 41 5.146 1.439 -27.554 557 1HB GLN 41 2HB GLN 41 3.216 2.065 -28.960 558 2HB GLN 41 1HB GLN 41 2.251 2.372 -27.517 559 1HG GLN 41 2HG GLN 41 3.074 4.496 -28.347 560 2HG GLN 41 1HG GLN 41 3.921 4.123 -26.845 561 1HE2 GLN 41 1HE2 GLN 41 5.929 5.168 -27.303 562 2HE2 GLN 41 2HE2 GLN 41 6.938 4.714 -28.590 563 H LEU 42 H LEU 42 2.541 0.970 -25.230 564 HA LEU 42 HA LEU 42 3.442 2.981 -23.387 565 1HB LEU 42 2HB LEU 42 1.664 0.565 -22.978 566 2HB LEU 42 1HB LEU 42 1.921 1.810 -21.787 567 HG LEU 42 HG LEU 42 0.297 3.080 -22.676 568 1HD1 LEU 42 1HD1 LEU 42 1.999 3.923 -24.353 569 2HD1 LEU 42 2HD1 LEU 42 0.323 4.016 -24.882 570 3HD1 LEU 42 3HD1 LEU 42 1.363 2.733 -25.487 571 1HD2 LEU 42 1HD2 LEU 42 -1.037 1.239 -23.108 572 2HD2 LEU 42 2HD2 LEU 42 0.053 0.605 -24.340 573 3HD2 LEU 42 3HD2 LEU 42 -0.980 1.987 -24.704 574 H ARG 43 H ARG 43 3.633 -0.607 -23.305 575 HA ARG 43 HA ARG 43 5.166 -0.902 -20.993 576 1HB ARG 43 2HB ARG 43 5.894 -3.036 -21.864 577 2HB ARG 43 1HB ARG 43 4.239 -2.769 -22.371 578 1HG ARG 43 2HG ARG 43 5.050 -1.985 -24.569 579 2HG ARG 43 1HG ARG 43 6.703 -2.333 -24.071 580 1HD ARG 43 2HD ARG 43 6.133 -4.700 -23.760 581 2HD ARG 43 1HD ARG 43 4.461 -4.369 -24.216 582 HE ARG 43 HE ARG 43 5.897 -3.439 -26.378 583 1HH1 ARG 43 1HH2 ARG 43 5.832 -6.468 -24.632 584 2HH1 ARG 43 2HH2 ARG 43 6.272 -7.395 -26.024 585 1HH2 ARG 43 2HH1 ARG 43 6.462 -4.677 -28.153 586 2HH2 ARG 43 1HH1 ARG 43 6.624 -6.395 -27.997 587 H LYS 44 H LYS 44 6.393 -0.204 -24.288 588 HA LYS 44 HA LYS 44 9.132 -0.229 -23.486 589 1HB LYS 44 2HB LYS 44 9.566 0.935 -25.606 590 2HB LYS 44 1HB LYS 44 8.449 -0.399 -25.857 591 1HG LYS 44 2HG LYS 44 6.574 1.083 -25.954 592 2HG LYS 44 1HG LYS 44 7.535 2.448 -25.398 593 1HD LYS 44 2HD LYS 44 7.289 2.674 -27.784 594 2HD LYS 44 1HD LYS 44 8.952 2.178 -27.472 595 1HE LYS 44 2HE LYS 44 8.289 -0.189 -27.903 596 2HE LYS 44 1HE LYS 44 6.669 0.371 -28.320 597 1HZ LYS 44 1HZ LYS 44 7.834 1.868 -29.978 598 2HZ LYS 44 2HZ LYS 44 7.799 0.208 -30.341 599 3HZ LYS 44 3HZ LYS 44 9.214 0.917 -29.724 600 H ASP 45 H ASP 45 6.562 2.170 -23.300 601 HA ASP 45 HA ASP 45 8.237 4.448 -22.862 602 1HB ASP 45 2HB ASP 45 5.404 3.888 -21.939 603 2HB ASP 45 1HB ASP 45 6.204 5.442 -21.811 604 H ILE 46 H ILE 46 6.647 2.177 -20.553 605 HA ILE 46 HA ILE 46 7.641 3.407 -18.188 606 HB ILE 46 HB ILE 46 5.932 1.447 -18.471 607 1HG1 ILE 46 2HG1 ILE 46 6.433 0.779 -16.102 608 2HG1 ILE 46 1HG1 ILE 46 7.927 1.702 -16.220 609 1HG2 ILE 46 1HG2 ILE 46 6.648 -0.713 -18.514 610 2HG2 ILE 46 2HG2 ILE 46 8.093 -0.360 -17.568 611 3HG2 ILE 46 3HG2 ILE 46 8.063 -0.012 -19.293 612 1HD1 ILE 46 1HD1 ILE 46 6.781 3.565 -15.715 613 2HD1 ILE 46 2HD1 ILE 46 5.277 2.649 -15.687 614 3HD1 ILE 46 3HD1 ILE 46 5.841 3.371 -17.192 615 H LEU 47 H LEU 47 9.197 1.206 -20.467 616 HA LEU 47 HA LEU 47 11.506 0.594 -18.895 617 1HB LEU 47 2HB LEU 47 10.951 0.712 -21.858 618 2HB LEU 47 1HB LEU 47 12.575 0.385 -21.260 619 HG LEU 47 HG LEU 47 10.140 -1.182 -20.381 620 1HD1 LEU 47 1HD1 LEU 47 12.229 -2.037 -22.398 621 2HD1 LEU 47 2HD1 LEU 47 10.669 -1.359 -22.863 622 3HD1 LEU 47 3HD1 LEU 47 10.740 -2.878 -21.969 623 1HD2 LEU 47 1HD2 LEU 47 12.179 -2.821 -19.951 624 2HD2 LEU 47 2HD2 LEU 47 11.782 -1.566 -18.779 625 3HD2 LEU 47 3HD2 LEU 47 13.101 -1.318 -19.922 626 H GLU 48 H GLU 48 10.754 3.218 -21.156 627 HA GLU 48 HA GLU 48 13.302 4.557 -20.826 628 1HB GLU 48 2HB GLU 48 10.882 6.130 -21.609 629 2HB GLU 48 1HB GLU 48 12.512 6.192 -22.269 630 1HG GLU 48 2HG GLU 48 11.713 3.644 -22.960 631 2HG GLU 48 1HG GLU 48 10.215 4.548 -23.082 632 H VAL 49 H VAL 49 10.098 4.760 -19.388 633 HA VAL 49 HA VAL 49 10.476 7.101 -17.810 634 HB VAL 49 HB VAL 49 8.821 4.641 -17.157 635 1HG1 VAL 49 1HG1 VAL 49 7.523 6.901 -16.198 636 2HG1 VAL 49 2HG1 VAL 49 9.217 7.229 -15.838 637 3HG1 VAL 49 3HG1 VAL 49 8.455 5.762 -15.231 638 1HG2 VAL 49 1HG2 VAL 49 7.277 5.331 -18.675 639 2HG2 VAL 49 2HG2 VAL 49 8.591 6.270 -19.382 640 3HG2 VAL 49 3HG2 VAL 49 7.481 7.028 -18.242 641 H ILE 50 H ILE 50 10.732 3.661 -16.779 642 HA ILE 50 HA ILE 50 11.962 4.146 -14.270 643 HB ILE 50 HB ILE 50 12.477 1.805 -16.132 644 1HG1 ILE 50 2HG1 ILE 50 10.555 1.631 -13.869 645 2HG1 ILE 50 1HG1 ILE 50 10.031 2.574 -15.263 646 1HG2 ILE 50 1HG2 ILE 50 12.821 2.208 -13.149 647 2HG2 ILE 50 2HG2 ILE 50 14.077 1.826 -14.327 648 3HG2 ILE 50 3HG2 ILE 50 12.850 0.624 -13.926 649 1HD1 ILE 50 1HD1 ILE 50 10.738 0.597 -16.709 650 2HD1 ILE 50 2HD1 ILE 50 9.327 0.328 -15.686 651 3HD1 ILE 50 3HD1 ILE 50 10.896 -0.323 -15.212 652 H CYS 51 H CYS 51 13.245 4.345 -17.508 653 HA CYS 51 HA CYS 51 16.031 4.267 -16.766 654 1HB CYS 51 2HB CYS 51 14.945 3.889 -19.103 655 2HB CYS 51 1HB CYS 51 14.945 5.648 -19.215 656 HG CYS 51 HG CYS 51 17.335 3.969 -19.723 657 H LYS 52 H LYS 52 13.725 6.889 -17.506 658 HA LYS 52 HA LYS 52 15.485 9.084 -17.169 659 1HB LYS 52 2HB LYS 52 12.552 8.981 -16.412 660 2HB LYS 52 1HB LYS 52 13.492 10.437 -16.724 661 1HG LYS 52 2HG LYS 52 13.569 10.063 -19.011 662 2HG LYS 52 1HG LYS 52 13.380 8.319 -18.839 663 1HD LYS 52 2HD LYS 52 11.221 8.749 -19.459 664 2HD LYS 52 1HD LYS 52 11.028 9.174 -17.758 665 1HE LYS 52 2HE LYS 52 10.188 11.081 -18.799 666 2HE LYS 52 1HE LYS 52 11.874 11.537 -18.554 667 1HZ LYS 52 1HZ LYS 52 12.182 10.451 -20.867 668 2HZ LYS 52 2HZ LYS 52 11.558 12.028 -20.761 669 3HZ LYS 52 3HZ LYS 52 10.514 10.715 -21.029 670 H TYR 53 H TYR 53 13.787 7.142 -14.777 671 HA TYR 53 HA TYR 53 14.778 8.889 -12.596 672 1HB TYR 53 2HB TYR 53 12.817 6.573 -12.589 673 2HB TYR 53 1HB TYR 53 13.243 7.541 -11.190 674 HD1 TYR 53 HD1 TYR 53 12.068 8.060 -14.726 675 HD2 TYR 53 HD2 TYR 53 11.808 9.294 -10.627 676 HE1 TYR 53 HE1 TYR 53 10.301 9.663 -15.340 677 HE2 TYR 53 HE2 TYR 53 10.030 10.912 -11.242 678 HH TYR 53 HH TYR 53 8.215 10.835 -13.612 679 H VAL 54 H VAL 54 15.493 5.894 -14.176 680 HA VAL 54 HA VAL 54 17.607 5.326 -12.200 681 HB VAL 54 HB VAL 54 15.792 3.019 -12.909 682 1HG1 VAL 54 1HG1 VAL 54 16.876 1.938 -11.158 683 2HG1 VAL 54 2HG1 VAL 54 17.231 3.443 -10.311 684 3HG1 VAL 54 3HG1 VAL 54 18.160 2.996 -11.741 685 1HG2 VAL 54 1HG2 VAL 54 15.417 4.841 -10.504 686 2HG2 VAL 54 2HG2 VAL 54 14.527 3.353 -10.827 687 3HG2 VAL 54 3HG2 VAL 54 14.320 4.751 -11.882 688 H GLN 55 H GLN 55 17.595 2.464 -13.648 689 HA GLN 55 HA GLN 55 18.063 3.043 -16.419 690 1HB GLN 55 2HB GLN 55 20.225 3.613 -14.589 691 2HB GLN 55 1HB GLN 55 20.689 2.303 -15.673 692 1HG GLN 55 2HG GLN 55 20.043 3.674 -17.618 693 2HG GLN 55 1HG GLN 55 19.572 4.987 -16.539 694 1HE2 GLN 55 1HE2 GLN 55 22.392 3.098 -17.658 695 2HE2 GLN 55 2HE2 GLN 55 23.551 4.249 -17.198 696 H ILE 56 H ILE 56 17.311 1.155 -17.158 697 HA ILE 56 HA ILE 56 18.554 -1.369 -16.185 698 HB ILE 56 HB ILE 56 16.180 -2.391 -16.432 699 1HG1 ILE 56 2HG1 ILE 56 15.109 0.206 -15.480 700 2HG1 ILE 56 1HG1 ILE 56 15.498 0.142 -17.198 701 1HG2 ILE 56 1HG2 ILE 56 17.661 -1.589 -14.296 702 2HG2 ILE 56 2HG2 ILE 56 16.115 -2.426 -14.164 703 3HG2 ILE 56 3HG2 ILE 56 16.182 -0.668 -14.033 704 1HD1 ILE 56 1HD1 ILE 56 14.234 -2.195 -17.040 705 2HD1 ILE 56 2HD1 ILE 56 13.335 -0.691 -17.250 706 3HD1 ILE 56 3HD1 ILE 56 13.469 -1.423 -15.651 707 H ASP 57 H ASP 57 17.998 -3.196 -17.744 708 HA ASP 57 HA ASP 57 18.048 -2.119 -20.520 709 1HB ASP 57 2HB ASP 57 19.069 -4.627 -19.215 710 2HB ASP 57 1HB ASP 57 18.727 -4.630 -20.946 711 HA PRO 58 HA PRO 58 14.076 -3.867 -21.398 712 1HB PRO 58 2HB PRO 58 14.379 -4.750 -23.971 713 2HB PRO 58 1HB PRO 58 14.245 -3.039 -23.540 714 1HG PRO 58 2HG PRO 58 16.645 -4.609 -24.315 715 2HG PRO 58 1HG PRO 58 16.271 -2.903 -24.599 716 1HD PRO 58 2HD PRO 58 18.003 -3.849 -22.631 717 2HD PRO 58 1HD PRO 58 17.236 -2.246 -22.628 718 H GLU 59 H GLU 59 16.883 -5.888 -22.018 719 HA GLU 59 HA GLU 59 15.458 -8.394 -22.191 720 1HB GLU 59 2HB GLU 59 18.324 -7.655 -21.577 721 2HB GLU 59 1HB GLU 59 17.769 -9.330 -21.538 722 1HG GLU 59 2HG GLU 59 17.116 -9.250 -23.853 723 2HG GLU 59 1HG GLU 59 17.369 -7.505 -23.922 724 H MET 60 H MET 60 16.062 -6.245 -19.574 725 HA MET 60 HA MET 60 15.992 -8.381 -17.536 726 1HB MET 60 2HB MET 60 16.379 -5.388 -17.480 727 2HB MET 60 1HB MET 60 16.007 -6.276 -16.005 728 1HG MET 60 2HG MET 60 17.989 -7.546 -16.116 729 2HG MET 60 1HG MET 60 18.228 -7.184 -17.826 730 1HE MET 60 1HE MET 60 18.139 -6.285 -14.365 731 2HE MET 60 2HE MET 60 17.688 -4.590 -14.530 732 3HE MET 60 3HE MET 60 19.342 -5.015 -14.101 733 H VAL 61 H VAL 61 13.850 -6.148 -19.143 734 HA VAL 61 HA VAL 61 11.749 -6.573 -17.089 735 HB VAL 61 HB VAL 61 11.676 -4.833 -19.571 736 1HG1 VAL 61 1HG1 VAL 61 9.489 -5.566 -18.515 737 2HG1 VAL 61 2HG1 VAL 61 9.743 -3.820 -18.558 738 3HG1 VAL 61 3HG1 VAL 61 9.993 -4.712 -17.057 739 1HG2 VAL 61 1HG2 VAL 61 12.795 -4.428 -16.841 740 2HG2 VAL 61 2HG2 VAL 61 11.848 -3.097 -17.504 741 3HG2 VAL 61 3HG2 VAL 61 13.266 -3.686 -18.370 742 H THR 62 H THR 62 10.379 -8.262 -17.401 743 HA THR 62 HA THR 62 10.196 -9.517 -20.050 744 HB THR 62 HB THR 62 8.686 -10.429 -17.611 745 HG1 THR 62 HG1 THR 62 10.601 -11.649 -17.134 746 1HG2 THR 62 1HG2 THR 62 9.397 -12.662 -18.715 747 2HG2 THR 62 2HG2 THR 62 9.804 -11.673 -20.117 748 3HG2 THR 62 3HG2 THR 62 8.147 -11.708 -19.513 749 H VAL 63 H VAL 63 8.060 -10.051 -20.957 750 HA VAL 63 HA VAL 63 5.827 -8.312 -20.054 751 HB VAL 63 HB VAL 63 6.759 -8.492 -22.932 752 1HG1 VAL 63 1HG1 VAL 63 4.549 -7.951 -23.196 753 2HG1 VAL 63 2HG1 VAL 63 5.118 -6.336 -22.774 754 3HG1 VAL 63 3HG1 VAL 63 4.391 -7.364 -21.540 755 1HG2 VAL 63 1HG2 VAL 63 7.272 -6.516 -20.735 756 2HG2 VAL 63 2HG2 VAL 63 7.113 -5.930 -22.391 757 3HG2 VAL 63 3HG2 VAL 63 8.368 -7.102 -21.987 758 H GLN 64 H GLN 64 3.921 -9.440 -20.108 759 HA GLN 64 HA GLN 64 3.640 -11.724 -21.963 760 1HB GLN 64 2HB GLN 64 2.866 -13.181 -20.048 761 2HB GLN 64 1HB GLN 64 4.587 -12.805 -20.026 762 1HG GLN 64 2HG GLN 64 2.994 -10.794 -18.609 763 2HG GLN 64 1HG GLN 64 2.806 -12.406 -17.921 764 1HE2 GLN 64 1HE2 GLN 64 4.506 -13.173 -16.621 765 2HE2 GLN 64 2HE2 GLN 64 6.015 -12.409 -16.473 766 H LEU 65 H LEU 65 1.638 -11.660 -22.841 767 HA LEU 65 HA LEU 65 -0.422 -10.027 -21.480 768 1HB LEU 65 2HB LEU 65 -1.513 -10.001 -23.700 769 2HB LEU 65 1HB LEU 65 0.113 -9.340 -23.749 770 HG LEU 65 HG LEU 65 0.282 -12.176 -24.187 771 1HD1 LEU 65 1HD1 LEU 65 -1.835 -10.726 -25.778 772 2HD1 LEU 65 2HD1 LEU 65 -1.953 -12.289 -24.971 773 3HD1 LEU 65 3HD1 LEU 65 -0.979 -12.123 -26.431 774 1HD2 LEU 65 1HD2 LEU 65 0.681 -9.781 -26.009 775 2HD2 LEU 65 2HD2 LEU 65 1.242 -11.417 -26.359 776 3HD2 LEU 65 3HD2 LEU 65 1.909 -10.531 -24.988 777 H GLU 66 H GLU 66 -2.158 -10.977 -20.588 778 HA GLU 66 HA GLU 66 -2.764 -13.804 -21.343 779 1HB GLU 66 2HB GLU 66 -2.932 -12.381 -18.685 780 2HB GLU 66 1HB GLU 66 -3.830 -13.865 -18.987 781 1HG GLU 66 2HG GLU 66 -0.828 -13.520 -19.222 782 2HG GLU 66 1HG GLU 66 -1.665 -14.331 -17.902 783 H GLN 67 H GLN 67 -5.229 -14.239 -20.623 784 HA GLN 67 HA GLN 67 -6.875 -11.870 -21.342 785 1HB GLN 67 2HB GLN 67 -7.171 -14.563 -22.702 786 2HB GLN 67 1HB GLN 67 -8.093 -13.098 -23.046 787 1HG GLN 67 2HG GLN 67 -5.864 -11.976 -23.581 788 2HG GLN 67 1HG GLN 67 -5.147 -13.585 -23.533 789 1HE2 GLN 67 1HE2 GLN 67 -5.204 -12.024 -25.943 790 2HE2 GLN 67 2HE2 GLN 67 -6.219 -12.804 -27.057 791 H LYS 68 H LYS 68 -9.293 -12.495 -21.137 792 HA LYS 68 HA LYS 68 -9.636 -14.360 -18.821 793 1HB LYS 68 2HB LYS 68 -11.216 -11.808 -19.201 794 2HB LYS 68 1HB LYS 68 -11.125 -12.820 -17.762 795 1HG LYS 68 2HG LYS 68 -8.562 -12.267 -17.862 796 2HG LYS 68 1HG LYS 68 -9.082 -10.903 -18.853 797 1HD LYS 68 2HD LYS 68 -10.864 -10.649 -16.873 798 2HD LYS 68 1HD LYS 68 -9.582 -11.445 -15.966 799 1HE LYS 68 2HE LYS 68 -8.338 -9.443 -17.544 800 2HE LYS 68 1HE LYS 68 -9.752 -8.703 -16.801 801 1HZ LYS 68 1HZ LYS 68 -8.078 -10.406 -15.113 802 2HZ LYS 68 2HZ LYS 68 -8.949 -9.005 -14.719 803 3HZ LYS 68 3HZ LYS 68 -7.466 -8.884 -15.538 804 H ASP 69 H ASP 69 -11.972 -15.052 -18.591 805 HA ASP 69 HA ASP 69 -12.975 -15.951 -21.159 806 1HB ASP 69 2HB ASP 69 -13.706 -16.371 -18.292 807 2HB ASP 69 1HB ASP 69 -14.919 -16.730 -19.522 808 H GLY 70 H GLY 70 -13.467 -13.117 -19.300 809 1HA GLY 70 2HA GLY 70 -16.192 -12.678 -20.385 810 2HA GLY 70 1HA GLY 70 -15.395 -11.676 -19.172 811 H ASP 71 H ASP 71 -13.810 -12.701 -22.135 812 HA ASP 71 HA ASP 71 -12.958 -11.475 -23.933 813 1HB ASP 71 2HB ASP 71 -15.509 -9.992 -23.319 814 2HB ASP 71 1HB ASP 71 -14.403 -9.401 -24.557 815 H ILE 72 H ILE 72 -11.662 -11.071 -21.577 816 HA ILE 72 HA ILE 72 -11.033 -8.154 -21.671 817 HB ILE 72 HB ILE 72 -10.791 -9.865 -19.193 818 1HG1 ILE 72 2HG1 ILE 72 -13.113 -8.154 -20.144 819 2HG1 ILE 72 1HG1 ILE 72 -13.144 -9.875 -19.789 820 1HG2 ILE 72 1HG2 ILE 72 -10.782 -7.601 -18.119 821 2HG2 ILE 72 2HG2 ILE 72 -10.845 -6.873 -19.724 822 3HG2 ILE 72 3HG2 ILE 72 -9.439 -7.823 -19.241 823 1HD1 ILE 72 1HD1 ILE 72 -12.572 -9.345 -17.405 824 2HD1 ILE 72 2HD1 ILE 72 -14.129 -8.692 -17.911 825 3HD1 ILE 72 3HD1 ILE 72 -12.727 -7.632 -17.792 826 H SER 73 H SER 73 -8.765 -7.671 -21.118 827 HA SER 73 HA SER 73 -6.952 -9.963 -21.788 828 1HB SER 73 2HB SER 73 -6.863 -7.032 -22.486 829 2HB SER 73 1HB SER 73 -5.391 -7.998 -22.483 830 HG SER 73 HG SER 73 -6.459 -9.432 -23.932 831 H ILE 74 H ILE 74 -4.713 -9.657 -20.865 832 HA ILE 74 HA ILE 74 -4.617 -8.106 -18.349 833 HB ILE 74 HB ILE 74 -4.310 -11.114 -18.508 834 1HG1 ILE 74 2HG1 ILE 74 -6.246 -9.286 -17.068 835 2HG1 ILE 74 1HG1 ILE 74 -6.620 -10.390 -18.384 836 1HG2 ILE 74 1HG2 ILE 74 -2.582 -9.994 -17.042 837 2HG2 ILE 74 2HG2 ILE 74 -3.670 -11.070 -16.167 838 3HG2 ILE 74 3HG2 ILE 74 -3.907 -9.325 -16.091 839 1HD1 ILE 74 1HD1 ILE 74 -7.299 -11.602 -16.494 840 2HD1 ILE 74 2HD1 ILE 74 -5.940 -11.036 -15.524 841 3HD1 ILE 74 3HD1 ILE 74 -5.679 -12.233 -16.794 842 H LEU 75 H LEU 75 -2.980 -6.941 -19.624 843 HA LEU 75 HA LEU 75 -0.619 -8.393 -20.532 844 1HB LEU 75 2HB LEU 75 -1.642 -6.304 -21.629 845 2HB LEU 75 1HB LEU 75 -0.871 -5.402 -20.329 846 HG LEU 75 HG LEU 75 1.029 -7.274 -21.446 847 1HD1 LEU 75 1HD1 LEU 75 1.031 -5.683 -23.657 848 2HD1 LEU 75 2HD1 LEU 75 -0.703 -5.836 -23.371 849 3HD1 LEU 75 3HD1 LEU 75 0.284 -7.279 -23.601 850 1HD2 LEU 75 1HD2 LEU 75 1.966 -5.434 -20.381 851 2HD2 LEU 75 2HD2 LEU 75 0.762 -4.317 -21.024 852 3HD2 LEU 75 3HD2 LEU 75 2.062 -4.905 -22.061 853 H GLU 76 H GLU 76 0.631 -9.179 -18.929 854 HA GLU 76 HA GLU 76 1.280 -7.413 -16.618 855 1HB GLU 76 2HB GLU 76 1.978 -10.343 -16.956 856 2HB GLU 76 1HB GLU 76 2.002 -9.401 -15.470 857 1HG GLU 76 2HG GLU 76 -0.093 -10.175 -15.103 858 2HG GLU 76 1HG GLU 76 -0.609 -9.081 -16.385 859 H LEU 77 H LEU 77 3.543 -7.087 -16.087 860 HA LEU 77 HA LEU 77 5.527 -8.017 -18.079 861 1HB LEU 77 2HB LEU 77 6.447 -5.666 -18.265 862 2HB LEU 77 1HB LEU 77 4.891 -5.913 -19.056 863 HG LEU 77 HG LEU 77 4.928 -4.979 -16.207 864 1HD1 LEU 77 1HD1 LEU 77 5.440 -2.781 -16.728 865 2HD1 LEU 77 2HD1 LEU 77 4.967 -2.961 -18.416 866 3HD1 LEU 77 3HD1 LEU 77 6.504 -3.619 -17.857 867 1HD2 LEU 77 1HD2 LEU 77 3.125 -4.852 -18.608 868 2HD2 LEU 77 2HD2 LEU 77 2.953 -3.645 -17.336 869 3HD2 LEU 77 3HD2 LEU 77 2.746 -5.354 -16.962 870 H ASN 78 H ASN 78 7.377 -8.585 -17.058 871 HA ASN 78 HA ASN 78 7.636 -8.020 -14.175 872 1HB ASN 78 2HB ASN 78 9.514 -9.592 -15.948 873 2HB ASN 78 1HB ASN 78 9.346 -9.694 -14.207 874 1HD2 ASN 78 1HD2 ASN 78 6.340 -9.660 -14.325 875 2HD2 ASN 78 2HD2 ASN 78 5.891 -11.190 -14.899 876 H VAL 79 H VAL 79 9.329 -6.784 -13.317 877 HA VAL 79 HA VAL 79 11.104 -5.431 -15.309 878 HB VAL 79 HB VAL 79 10.017 -4.129 -12.802 879 1HG1 VAL 79 1HG1 VAL 79 11.043 -2.186 -13.584 880 2HG1 VAL 79 2HG1 VAL 79 11.058 -2.749 -15.256 881 3HG1 VAL 79 3HG1 VAL 79 12.199 -3.419 -14.090 882 1HG2 VAL 79 1HG2 VAL 79 9.077 -3.658 -15.644 883 2HG2 VAL 79 2HG2 VAL 79 8.374 -3.020 -14.158 884 3HG2 VAL 79 3HG2 VAL 79 8.236 -4.737 -14.532 885 H THR 80 H THR 80 12.862 -6.789 -14.862 886 HA THR 80 HA THR 80 13.734 -7.341 -12.140 887 HB THR 80 HB THR 80 15.105 -7.729 -14.821 888 HG1 THR 80 HG1 THR 80 13.832 -9.369 -14.886 889 1HG2 THR 80 1HG2 THR 80 16.912 -7.788 -13.357 890 2HG2 THR 80 2HG2 THR 80 16.389 -9.469 -13.313 891 3HG2 THR 80 3HG2 THR 80 15.934 -8.369 -12.011 892 H LEU 81 H LEU 81 14.365 -5.530 -10.998 893 HA LEU 81 HA LEU 81 16.037 -3.472 -12.301 894 1HB LEU 81 2HB LEU 81 14.683 -3.742 -9.612 895 2HB LEU 81 1HB LEU 81 15.907 -2.509 -9.880 896 HG LEU 81 HG LEU 81 13.656 -1.600 -10.275 897 1HD1 LEU 81 1HD1 LEU 81 15.839 -1.297 -11.908 898 2HD1 LEU 81 2HD1 LEU 81 14.362 -0.342 -12.025 899 3HD1 LEU 81 3HD1 LEU 81 14.589 -1.745 -13.068 900 1HD2 LEU 81 1HD2 LEU 81 12.687 -3.834 -10.975 901 2HD2 LEU 81 2HD2 LEU 81 13.450 -3.594 -12.547 902 3HD2 LEU 81 3HD2 LEU 81 12.208 -2.473 -11.990 903 HA PRO 82 HA PRO 82 19.692 -5.521 -10.656 904 1HB PRO 82 2HB PRO 82 21.517 -3.651 -11.446 905 2HB PRO 82 1HB PRO 82 20.764 -4.803 -12.558 906 1HG PRO 82 2HG PRO 82 20.301 -1.905 -12.264 907 2HG PRO 82 1HG PRO 82 20.032 -2.956 -13.662 908 1HD PRO 82 2HD PRO 82 18.061 -1.981 -11.855 909 2HD PRO 82 1HD PRO 82 17.835 -3.181 -13.143 910 H GLU 83 H GLU 83 21.772 -4.634 -9.372 911 HA GLU 83 HA GLU 83 20.877 -3.684 -6.851 912 1HB GLU 83 2HB GLU 83 23.494 -4.204 -8.141 913 2HB GLU 83 1HB GLU 83 23.527 -3.075 -6.788 914 1HG GLU 83 2HG GLU 83 22.442 -4.701 -5.341 915 2HG GLU 83 1HG GLU 83 22.250 -5.819 -6.691 916 H ALA 84 H ALA 84 21.591 -1.633 -5.792 917 HA ALA 84 HA ALA 84 22.490 0.638 -7.237 918 1HB ALA 84 1HB ALA 84 20.005 0.074 -8.110 919 2HB ALA 84 2HB ALA 84 20.597 1.729 -7.962 920 3HB ALA 84 3HB ALA 84 19.589 1.036 -6.692 921 H GLU 85 H GLU 85 23.216 2.010 -5.680 922 HA GLU 85 HA GLU 85 21.695 2.618 -3.298 923 1HB GLU 85 2HB GLU 85 23.883 0.595 -3.204 924 2HB GLU 85 1HB GLU 85 23.817 1.771 -1.892 925 1HG GLU 85 2HG GLU 85 21.224 1.130 -1.948 926 2HG GLU 85 1HG GLU 85 21.866 -0.369 -2.620 927 H GLU 86 H GLU 86 22.911 4.099 -5.437 928 HA GLU 86 HA GLU 86 24.200 6.031 -5.756 929 1HB GLU 86 2HB GLU 86 23.043 6.445 -3.428 930 2HB GLU 86 1HB GLU 86 24.668 6.189 -2.793 931 1HG GLU 86 2HG GLU 86 25.537 7.952 -4.278 932 2HG GLU 86 1HG GLU 86 23.919 8.205 -4.931 933 H LEU 87 H LEU 87 25.485 3.362 -5.615 934 HA LEU 87 HA LEU 87 28.163 4.040 -4.504 935 1HB LEU 87 2HB LEU 87 26.718 1.518 -5.158 936 2HB LEU 87 1HB LEU 87 28.467 1.513 -5.382 937 HG LEU 87 HG LEU 87 27.180 2.518 -2.840 938 1HD1 LEU 87 1HD1 LEU 87 27.504 0.337 -1.862 939 2HD1 LEU 87 2HD1 LEU 87 28.290 -0.261 -3.323 940 3HD1 LEU 87 3HD1 LEU 87 26.567 0.114 -3.339 941 1HD2 LEU 87 1HD2 LEU 87 29.594 1.583 -2.141 942 2HD2 LEU 87 2HD2 LEU 87 29.380 3.218 -2.767 943 3HD2 LEU 87 3HD2 LEU 87 29.935 1.929 -3.837 944 H LYS 88 HN LYS 88 30.063 3.453 -5.907 945 HA LYS 88 HA LYS 88 29.459 3.777 -8.816 946 1HB LYS 88 2HB LYS 88 31.488 5.247 -8.960 947 2HB LYS 88 1HB LYS 88 30.184 5.953 -8.004 948 1HG LYS 88 2HG LYS 88 31.265 5.253 -5.933 949 2HG LYS 88 1HG LYS 88 32.529 4.422 -6.841 950 1HD LYS 88 2HD LYS 88 32.968 6.723 -7.946 951 2HD LYS 88 1HD LYS 88 32.031 7.386 -6.607 952 1HE LYS 88 2HE LYS 88 34.177 7.458 -5.712 953 2HE LYS 88 1HE LYS 88 33.631 5.882 -5.142 954 1HZ LYS 88 1HZ LYS 88 35.706 5.474 -6.077 955 2HZ LYS 88 2HZ LYS 88 35.428 6.499 -7.404 956 3HZ LYS 88 3HZ LYS 88 34.625 5.005 -7.297 Start of MODEL 18 1 1H ARG 31 1H ARG 31 3.194 2.152 2.715 2 2H ARG 31 2H ARG 31 4.866 2.108 3.010 3 3H ARG 31 3H ARG 31 3.898 0.764 3.387 4 HA ARG 31 HA ARG 31 3.715 0.078 1.235 5 1HB ARG 31 2HB ARG 31 4.017 1.633 -0.687 6 2HB ARG 31 1HB ARG 31 2.723 2.145 0.396 7 1HG ARG 31 2HG ARG 31 4.977 3.368 1.477 8 2HG ARG 31 1HG ARG 31 5.243 3.489 -0.261 9 1HD ARG 31 2HD ARG 31 2.670 4.210 -0.225 10 2HD ARG 31 1HD ARG 31 3.091 4.699 1.416 11 HE ARG 31 HE ARG 31 5.124 5.748 -0.171 12 1HH1 ARG 31 1HH2 ARG 31 1.636 5.995 -0.076 13 2HH1 ARG 31 2HH2 ARG 31 1.631 7.597 -0.728 14 1HH2 ARG 31 1HH1 ARG 31 5.072 7.820 -1.012 15 2HH2 ARG 31 2HH1 ARG 31 3.554 8.620 -1.253 16 H SER 32 H SER 32 5.422 -1.227 0.909 17 HA SER 32 HA SER 32 8.111 -0.573 1.584 18 1HB SER 32 2HB SER 32 7.288 -2.700 -0.397 19 2HB SER 32 1HB SER 32 8.701 -2.691 0.654 20 HG SER 32 HG SER 32 7.386 -3.817 1.879 21 H ASP 33 H ASP 33 6.262 0.225 -1.223 22 HA ASP 33 HA ASP 33 8.603 0.487 -2.955 23 1HB ASP 33 2HB ASP 33 5.781 1.454 -3.452 24 2HB ASP 33 1HB ASP 33 7.052 1.222 -4.654 25 H ALA 34 H ALA 34 7.942 2.236 -0.381 26 HA ALA 34 HA ALA 34 8.006 4.905 -1.600 27 1HB ALA 34 1HB ALA 34 6.909 3.949 0.738 28 2HB ALA 34 2HB ALA 34 7.215 5.651 0.394 29 3HB ALA 34 3HB ALA 34 8.392 4.710 1.310 30 H GLU 35 H GLU 35 10.204 2.520 -0.460 31 HA GLU 35 HA GLU 35 12.314 4.094 0.563 32 1HB GLU 35 2HB GLU 35 12.647 1.568 -1.072 33 2HB GLU 35 1HB GLU 35 13.751 2.209 0.138 34 1HG GLU 35 2HG GLU 35 11.047 1.862 1.205 35 2HG GLU 35 1HG GLU 35 11.716 0.352 0.593 36 HA PRO 36 HA PRO 36 13.990 4.622 -3.882 37 1HB PRO 36 2HB PRO 36 12.441 3.855 -5.996 38 2HB PRO 36 1HB PRO 36 13.556 2.766 -5.160 39 1HG PRO 36 2HG PRO 36 10.624 2.806 -5.138 40 2HG PRO 36 1HG PRO 36 11.737 1.498 -4.713 41 1HD PRO 36 2HD PRO 36 10.312 3.246 -2.935 42 2HD PRO 36 1HD PRO 36 11.429 1.944 -2.511 43 H HIS 37 H HIS 37 10.430 4.968 -4.005 44 HA HIS 37 HA HIS 37 9.104 6.855 -4.242 45 1HB HIS 37 2HB HIS 37 9.891 8.867 -3.536 46 2HB HIS 37 1HB HIS 37 11.304 7.936 -3.076 47 HD1 HIS 37 HD1 HIS 37 13.453 8.879 -3.908 48 HD2 HIS 37 HD2 HIS 37 10.270 9.999 -6.356 49 HE1 HIS 37 HE1 HIS 37 14.412 10.424 -5.670 50 H TYR 38 H TYR 38 11.220 5.663 -6.551 51 HA TYR 38 HA TYR 38 9.952 7.338 -8.670 52 1HB TYR 38 2HB TYR 38 11.904 6.573 -10.100 53 2HB TYR 38 1HB TYR 38 12.333 7.657 -8.777 54 HD1 TYR 38 HD1 TYR 38 12.462 4.182 -10.008 55 HD2 TYR 38 HD2 TYR 38 13.561 6.857 -6.831 56 HE1 TYR 38 HE1 TYR 38 14.023 2.476 -9.109 57 HE2 TYR 38 HE2 TYR 38 15.120 5.150 -5.933 58 HH TYR 38 HH TYR 38 16.390 2.873 -7.393 59 H LEU 39 H LEU 39 10.795 4.073 -7.621 60 HA LEU 39 HA LEU 39 10.049 2.544 -9.839 61 1HB LEU 39 2HB LEU 39 10.563 2.081 -7.095 62 2HB LEU 39 1HB LEU 39 9.013 1.317 -7.428 63 HG LEU 39 HG LEU 39 10.814 -0.280 -7.851 64 1HD1 LEU 39 1HD1 LEU 39 9.984 -1.079 -9.843 65 2HD1 LEU 39 2HD1 LEU 39 10.117 0.484 -10.647 66 3HD1 LEU 39 3HD1 LEU 39 8.774 0.169 -9.548 67 1HD2 LEU 39 1HD2 LEU 39 11.928 2.032 -9.398 68 2HD2 LEU 39 2HD2 LEU 39 12.305 0.396 -9.936 69 3HD2 LEU 39 3HD2 LEU 39 12.751 0.915 -8.310 70 HA PRO 40 HA PRO 40 5.433 2.686 -8.453 71 1HB PRO 40 2HB PRO 40 4.725 4.498 -6.528 72 2HB PRO 40 1HB PRO 40 5.196 2.827 -6.180 73 1HG PRO 40 2HG PRO 40 6.732 5.335 -5.809 74 2HG PRO 40 1HG PRO 40 6.791 3.825 -4.894 75 1HD PRO 40 2HD PRO 40 8.656 4.627 -6.805 76 2HD PRO 40 1HD PRO 40 8.447 2.965 -6.213 77 H GLN 41 H GLN 41 7.396 5.502 -8.851 78 HA GLN 41 HA GLN 41 5.274 7.282 -9.760 79 1HB GLN 41 2HB GLN 41 7.348 8.207 -8.827 80 2HB GLN 41 1HB GLN 41 8.299 7.383 -10.059 81 1HG GLN 41 2HG GLN 41 8.017 9.720 -10.695 82 2HG GLN 41 1HG GLN 41 7.104 8.703 -11.809 83 1HE2 GLN 41 1HE2 GLN 41 5.385 10.154 -12.316 84 2HE2 GLN 41 2HE2 GLN 41 4.305 10.760 -11.154 85 H LEU 42 H LEU 42 7.563 5.013 -11.188 86 HA LEU 42 HA LEU 42 6.991 5.753 -13.914 87 1HB LEU 42 2HB LEU 42 8.254 3.254 -12.763 88 2HB LEU 42 1HB LEU 42 8.195 3.645 -14.463 89 HG LEU 42 HG LEU 42 10.082 4.850 -14.298 90 1HD1 LEU 42 1HD1 LEU 42 8.626 6.791 -13.537 91 2HD1 LEU 42 2HD1 LEU 42 10.313 6.869 -13.043 92 3HD1 LEU 42 3HD1 LEU 42 9.084 6.378 -11.886 93 1HD2 LEU 42 1HD2 LEU 42 11.012 3.365 -12.777 94 2HD2 LEU 42 2HD2 LEU 42 9.875 3.799 -11.502 95 3HD2 LEU 42 3HD2 LEU 42 11.192 4.895 -11.918 96 H ARG 43 H ARG 43 5.931 3.108 -11.752 97 HA ARG 43 HA ARG 43 4.361 1.727 -13.679 98 1HB ARG 43 2HB ARG 43 3.256 0.663 -11.804 99 2HB ARG 43 1HB ARG 43 4.955 0.839 -11.416 100 1HG ARG 43 2HG ARG 43 4.428 2.888 -10.126 101 2HG ARG 43 1HG ARG 43 2.716 2.634 -10.454 102 1HD ARG 43 2HD ARG 43 2.997 0.319 -9.416 103 2HD ARG 43 1HD ARG 43 4.575 0.870 -8.850 104 HE ARG 43 HE ARG 43 2.402 2.684 -8.141 105 1HH1 ARG 43 1HH2 ARG 43 4.193 -0.173 -7.205 106 2HH1 ARG 43 2HH2 ARG 43 3.805 0.011 -5.531 107 1HH2 ARG 43 2HH1 ARG 43 1.925 2.880 -5.966 108 2HH2 ARG 43 1HH1 ARG 43 2.535 1.719 -4.834 109 H LYS 44 H LYS 44 3.509 4.400 -11.464 110 HA LYS 44 HA LYS 44 0.776 4.510 -12.272 111 1HB LYS 44 2HB LYS 44 0.765 6.741 -11.245 112 2HB LYS 44 1HB LYS 44 1.608 5.600 -10.208 113 1HG LYS 44 2HG LYS 44 3.747 6.436 -10.887 114 2HG LYS 44 1HG LYS 44 3.038 7.387 -12.189 115 1HD LYS 44 2HD LYS 44 3.483 8.920 -10.401 116 2HD LYS 44 1HD LYS 44 1.740 8.650 -10.407 117 1HE LYS 44 2HE LYS 44 1.865 7.162 -8.545 118 2HE LYS 44 1HE LYS 44 3.618 7.036 -8.672 119 1HZ LYS 44 1HZ LYS 44 2.131 9.519 -8.010 120 2HZ LYS 44 2HZ LYS 44 3.820 9.345 -8.068 121 3HZ LYS 44 3HZ LYS 44 2.919 8.527 -6.882 122 H ASP 45 H ASP 45 3.768 5.778 -13.608 123 HA ASP 45 HA ASP 45 2.585 7.640 -15.433 124 1HB ASP 45 2HB ASP 45 5.229 6.171 -15.437 125 2HB ASP 45 1HB ASP 45 4.789 7.346 -16.666 126 H ILE 46 H ILE 46 3.583 4.202 -15.772 127 HA ILE 46 HA ILE 46 2.848 3.962 -18.523 128 HB ILE 46 HB ILE 46 4.196 2.269 -17.218 129 1HG1 ILE 46 2HG1 ILE 46 1.778 1.154 -18.667 130 2HG1 ILE 46 1HG1 ILE 46 3.183 1.854 -19.469 131 1HG2 ILE 46 1HG2 ILE 46 3.215 1.631 -15.270 132 2HG2 ILE 46 2HG2 ILE 46 2.449 0.426 -16.296 133 3HG2 ILE 46 3HG2 ILE 46 1.581 1.890 -15.862 134 1HD1 ILE 46 1HD1 ILE 46 3.060 -0.748 -19.081 135 2HD1 ILE 46 2HD1 ILE 46 3.590 -0.333 -17.452 136 3HD1 ILE 46 3HD1 ILE 46 4.583 0.103 -18.841 137 H LEU 47 H LEU 47 0.940 3.952 -15.582 138 HA LEU 47 HA LEU 47 -1.481 2.904 -16.718 139 1HB LEU 47 2HB LEU 47 -0.834 4.596 -14.307 140 2HB LEU 47 1HB LEU 47 -2.506 4.286 -14.762 141 HG LEU 47 HG LEU 47 -0.495 2.059 -14.423 142 1HD1 LEU 47 1HD1 LEU 47 -1.948 1.826 -12.200 143 2HD1 LEU 47 2HD1 LEU 47 -2.081 3.574 -12.393 144 3HD1 LEU 47 3HD1 LEU 47 -0.492 2.822 -12.241 145 1HD2 LEU 47 1HD2 LEU 47 -2.303 1.109 -15.490 146 2HD2 LEU 47 2HD2 LEU 47 -3.429 2.326 -14.890 147 3HD2 LEU 47 3HD2 LEU 47 -2.900 1.016 -13.834 148 H GLU 48 H GLU 48 -0.164 6.166 -16.267 149 HA GLU 48 HA GLU 48 -2.400 7.516 -17.505 150 1HB GLU 48 2HB GLU 48 0.341 8.729 -17.586 151 2HB GLU 48 1HB GLU 48 -1.206 9.500 -17.258 152 1HG GLU 48 2HG GLU 48 -0.959 7.737 -15.143 153 2HG GLU 48 1HG GLU 48 0.697 8.252 -15.410 154 H VAL 49 H VAL 49 0.688 6.212 -18.574 155 HA VAL 49 HA VAL 49 0.659 7.237 -21.237 156 HB VAL 49 HB VAL 49 1.805 4.599 -20.262 157 1HG1 VAL 49 1HG1 VAL 49 1.556 5.055 -22.781 158 2HG1 VAL 49 2HG1 VAL 49 3.170 4.642 -22.204 159 3HG1 VAL 49 3HG1 VAL 49 2.761 6.321 -22.553 160 1HG2 VAL 49 1HG2 VAL 49 2.455 7.158 -19.379 161 2HG2 VAL 49 2HG2 VAL 49 3.640 6.858 -20.649 162 3HG2 VAL 49 3HG2 VAL 49 3.505 5.745 -19.289 163 H ILE 50 H ILE 50 -0.361 4.010 -20.015 164 HA ILE 50 HA ILE 50 -1.593 3.136 -22.434 165 HB ILE 50 HB ILE 50 -2.438 2.473 -19.595 166 1HG1 ILE 50 2HG1 ILE 50 -0.670 0.734 -21.276 167 2HG1 ILE 50 1HG1 ILE 50 0.051 2.117 -20.453 168 1HG2 ILE 50 1HG2 ILE 50 -3.102 1.403 -22.303 169 2HG2 ILE 50 2HG2 ILE 50 -4.119 1.533 -20.868 170 3HG2 ILE 50 3HG2 ILE 50 -2.922 0.244 -20.986 171 1HD1 ILE 50 1HD1 ILE 50 -0.136 -0.242 -19.244 172 2HD1 ILE 50 2HD1 ILE 50 -1.766 0.329 -18.888 173 3HD1 ILE 50 3HD1 ILE 50 -0.368 1.258 -18.344 174 H CYS 51 H CYS 51 -2.592 5.481 -20.073 175 HA CYS 51 HA CYS 51 -5.393 5.484 -20.779 176 1HB CYS 51 2HB CYS 51 -4.309 6.354 -18.602 177 2HB CYS 51 1HB CYS 51 -3.878 7.785 -19.539 178 HG CYS 51 HG CYS 51 -6.799 6.907 -18.885 179 H LYS 52 H LYS 52 -2.585 7.513 -21.618 180 HA LYS 52 HA LYS 52 -3.931 9.370 -23.292 181 1HB LYS 52 2HB LYS 52 -1.125 8.312 -23.713 182 2HB LYS 52 1HB LYS 52 -1.770 9.841 -24.298 183 1HG LYS 52 2HG LYS 52 -1.643 10.843 -22.233 184 2HG LYS 52 1HG LYS 52 -1.923 9.335 -21.363 185 1HD LYS 52 2HD LYS 52 0.321 9.446 -20.944 186 2HD LYS 52 1HD LYS 52 0.462 8.778 -22.570 187 1HE LYS 52 2HE LYS 52 1.879 10.662 -22.622 188 2HE LYS 52 1HE LYS 52 0.391 11.242 -23.368 189 1HZ LYS 52 1HZ LYS 52 1.195 12.804 -21.724 190 2HZ LYS 52 2HZ LYS 52 1.170 11.602 -20.524 191 3HZ LYS 52 3HZ LYS 52 -0.282 12.139 -21.221 192 H TYR 53 H TYR 53 -2.785 6.109 -23.928 193 HA TYR 53 HA TYR 53 -3.570 6.343 -26.778 194 1HB TYR 53 2HB TYR 53 -2.098 4.155 -25.276 195 2HB TYR 53 1HB TYR 53 -2.428 4.158 -26.996 196 HD1 TYR 53 HD1 TYR 53 -0.690 4.834 -28.387 197 HD2 TYR 53 HD2 TYR 53 -0.941 6.485 -24.436 198 HE1 TYR 53 HE1 TYR 53 1.424 6.080 -28.758 199 HE2 TYR 53 HE2 TYR 53 1.154 7.728 -24.804 200 HH TYR 53 HH TYR 53 2.377 8.592 -27.191 201 H VAL 54 H VAL 54 -4.744 5.130 -23.760 202 HA VAL 54 HA VAL 54 -7.032 3.870 -25.139 203 HB VAL 54 HB VAL 54 -5.692 2.229 -22.989 204 1HG1 VAL 54 1HG1 VAL 54 -7.059 0.531 -23.767 205 2HG1 VAL 54 2HG1 VAL 54 -7.084 1.161 -25.414 206 3HG1 VAL 54 3HG1 VAL 54 -8.058 1.931 -24.161 207 1HG2 VAL 54 1HG2 VAL 54 -5.052 2.018 -25.953 208 2HG2 VAL 54 2HG2 VAL 54 -4.441 0.971 -24.673 209 3HG2 VAL 54 3HG2 VAL 54 -3.948 2.663 -24.738 210 H GLN 55 H GLN 55 -7.535 2.599 -22.243 211 HA GLN 55 HA GLN 55 -7.730 4.817 -20.451 212 1HB GLN 55 2HB GLN 55 -9.773 4.652 -22.482 213 2HB GLN 55 1HB GLN 55 -10.496 4.393 -20.895 214 1HG GLN 55 2HG GLN 55 -9.709 6.478 -20.076 215 2HG GLN 55 1HG GLN 55 -8.580 6.669 -21.419 216 1HE2 GLN 55 1HE2 GLN 55 -9.579 8.729 -22.054 217 2HE2 GLN 55 2HE2 GLN 55 -11.099 8.767 -22.807 218 H ILE 56 H ILE 56 -7.311 3.559 -18.729 219 HA ILE 56 HA ILE 56 -9.267 1.427 -18.042 220 HB ILE 56 HB ILE 56 -7.213 0.117 -17.135 221 1HG1 ILE 56 2HG1 ILE 56 -5.655 1.178 -19.414 222 2HG1 ILE 56 1HG1 ILE 56 -5.832 2.305 -18.070 223 1HG2 ILE 56 1HG2 ILE 56 -8.757 -0.188 -19.301 224 2HG2 ILE 56 2HG2 ILE 56 -7.385 -1.245 -18.971 225 3HG2 ILE 56 3HG2 ILE 56 -7.216 0.090 -20.111 226 1HD1 ILE 56 1HD1 ILE 56 -4.703 -0.506 -17.976 227 2HD1 ILE 56 2HD1 ILE 56 -5.097 0.427 -16.532 228 3HD1 ILE 56 3HD1 ILE 56 -3.850 1.001 -17.639 229 H ASP 57 H ASP 57 -8.949 0.789 -15.669 230 HA ASP 57 HA ASP 57 -8.410 3.269 -14.116 231 1HB ASP 57 2HB ASP 57 -10.096 0.827 -13.691 232 2HB ASP 57 1HB ASP 57 -9.521 1.710 -12.279 233 HA PRO 58 HA PRO 58 -4.824 1.508 -12.204 234 1HB PRO 58 2HB PRO 58 -5.021 2.407 -9.627 235 2HB PRO 58 1HB PRO 58 -4.581 3.449 -10.990 236 1HG PRO 58 2HG PRO 58 -7.155 3.247 -9.520 237 2HG PRO 58 1HG PRO 58 -6.406 4.648 -10.300 238 1HD PRO 58 2HD PRO 58 -8.503 3.154 -11.371 239 2HD PRO 58 1HD PRO 58 -7.430 4.219 -12.303 240 H GLU 59 H GLU 59 -7.914 0.948 -10.631 241 HA GLU 59 HA GLU 59 -7.038 -1.221 -8.933 242 1HB GLU 59 2HB GLU 59 -9.798 -0.654 -10.063 243 2HB GLU 59 1HB GLU 59 -9.431 -1.718 -8.705 244 1HG GLU 59 2HG GLU 59 -8.489 1.130 -8.622 245 2HG GLU 59 1HG GLU 59 -10.178 0.772 -8.258 246 H MET 60 H MET 60 -7.439 -0.944 -12.333 247 HA MET 60 HA MET 60 -8.071 -3.794 -12.736 248 1HB MET 60 2HB MET 60 -7.675 -1.403 -14.532 249 2HB MET 60 1HB MET 60 -7.676 -3.032 -15.198 250 1HG MET 60 2HG MET 60 -9.894 -2.476 -13.325 251 2HG MET 60 1HG MET 60 -9.931 -1.520 -14.805 252 1HE MET 60 1HE MET 60 -10.217 -3.870 -17.658 253 2HE MET 60 2HE MET 60 -9.314 -2.495 -17.027 254 3HE MET 60 3HE MET 60 -11.075 -2.469 -17.003 255 H VAL 61 H VAL 61 -5.304 -1.661 -12.614 256 HA VAL 61 HA VAL 61 -3.560 -3.724 -13.842 257 HB VAL 61 HB VAL 61 -2.849 -0.944 -12.861 258 1HG1 VAL 61 1HG1 VAL 61 -1.041 -2.756 -13.161 259 2HG1 VAL 61 2HG1 VAL 61 -0.799 -1.235 -14.022 260 3HG1 VAL 61 3HG1 VAL 61 -1.396 -2.652 -14.886 261 1HG2 VAL 61 1HG2 VAL 61 -4.160 -0.322 -14.628 262 2HG2 VAL 61 2HG2 VAL 61 -4.124 -1.931 -15.351 263 3HG2 VAL 61 3HG2 VAL 61 -2.770 -0.827 -15.589 264 H THR 62 H THR 62 -2.358 -5.062 -12.564 265 HA THR 62 HA THR 62 -2.371 -4.591 -9.653 266 HB THR 62 HB THR 62 -1.246 -7.041 -10.995 267 HG1 THR 62 HG1 THR 62 -3.967 -6.559 -10.347 268 1HG2 THR 62 1HG2 THR 62 -2.460 -7.946 -8.829 269 2HG2 THR 62 2HG2 THR 62 -2.324 -6.267 -8.309 270 3HG2 THR 62 3HG2 THR 62 -0.873 -7.185 -8.710 271 H VAL 63 H VAL 63 -0.351 -4.851 -8.438 272 HA VAL 63 HA VAL 63 2.143 -4.524 -10.021 273 HB VAL 63 HB VAL 63 1.365 -2.703 -7.730 274 1HG1 VAL 63 1HG1 VAL 63 3.774 -3.032 -7.911 275 2HG1 VAL 63 2HG1 VAL 63 3.373 -1.427 -8.523 276 3HG1 VAL 63 3HG1 VAL 63 3.714 -2.741 -9.649 277 1HG2 VAL 63 1HG2 VAL 63 1.314 -2.321 -10.728 278 2HG2 VAL 63 2HG2 VAL 63 1.343 -0.966 -9.601 279 3HG2 VAL 63 3HG2 VAL 63 -0.011 -2.096 -9.587 280 H GLN 64 H GLN 64 3.474 -6.086 -9.263 281 HA GLN 64 HA GLN 64 3.475 -6.614 -6.331 282 1HB GLN 64 2HB GLN 64 3.912 -9.033 -6.905 283 2HB GLN 64 1HB GLN 64 2.304 -8.468 -7.351 284 1HG GLN 64 2HG GLN 64 4.361 -8.097 -9.443 285 2HG GLN 64 1HG GLN 64 4.000 -9.777 -9.059 286 1HE2 GLN 64 1HE2 GLN 64 1.833 -10.569 -9.507 287 2HE2 GLN 64 2HE2 GLN 64 0.736 -9.679 -10.448 288 H LEU 65 H LEU 65 5.498 -6.628 -5.418 289 HA LEU 65 HA LEU 65 7.794 -6.303 -7.264 290 1HB LEU 65 2HB LEU 65 8.953 -5.439 -5.228 291 2HB LEU 65 1HB LEU 65 7.556 -4.483 -5.701 292 HG LEU 65 HG LEU 65 6.852 -6.671 -3.879 293 1HD1 LEU 65 1HD1 LEU 65 8.791 -4.532 -2.949 294 2HD1 LEU 65 2HD1 LEU 65 9.075 -6.273 -2.960 295 3HD1 LEU 65 3HD1 LEU 65 7.869 -5.583 -1.873 296 1HD2 LEU 65 1HD2 LEU 65 6.372 -3.735 -4.214 297 2HD2 LEU 65 2HD2 LEU 65 6.038 -4.459 -2.641 298 3HD2 LEU 65 3HD2 LEU 65 5.206 -5.051 -4.078 299 H GLU 66 H GLU 66 9.483 -7.734 -7.246 300 HA GLU 66 HA GLU 66 9.453 -9.891 -5.183 301 1HB GLU 66 2HB GLU 66 9.699 -10.165 -8.185 302 2HB GLU 66 1HB GLU 66 10.233 -11.431 -7.085 303 1HG GLU 66 2HG GLU 66 7.433 -10.284 -7.269 304 2HG GLU 66 1HG GLU 66 7.942 -11.858 -7.871 305 H GLN 67 H GLN 67 11.672 -11.121 -5.346 306 HA GLN 67 HA GLN 67 13.898 -9.377 -6.212 307 1HB GLN 67 2HB GLN 67 13.359 -10.124 -3.326 308 2HB GLN 67 1HB GLN 67 14.946 -9.605 -3.896 309 1HG GLN 67 2HG GLN 67 13.996 -7.484 -4.684 310 2HG GLN 67 1HG GLN 67 12.386 -8.002 -4.180 311 1HE2 GLN 67 1HE2 GLN 67 11.792 -7.485 -2.064 312 2HE2 GLN 67 2HE2 GLN 67 12.869 -6.988 -0.851 313 H LYS 68 H LYS 68 15.989 -10.526 -6.088 314 HA LYS 68 HA LYS 68 15.618 -13.493 -6.146 315 1HB LYS 68 2HB LYS 68 17.289 -11.627 -7.779 316 2HB LYS 68 1HB LYS 68 17.849 -13.275 -7.532 317 1HG LYS 68 2HG LYS 68 16.252 -14.153 -8.890 318 2HG LYS 68 1HG LYS 68 15.001 -13.073 -8.272 319 1HD LYS 68 2HD LYS 68 15.427 -12.573 -10.631 320 2HD LYS 68 1HD LYS 68 15.964 -11.222 -9.633 321 1HE LYS 68 2HE LYS 68 17.757 -11.551 -11.129 322 2HE LYS 68 1HE LYS 68 18.280 -12.389 -9.669 323 1HZ LYS 68 1HZ LYS 68 17.649 -14.463 -10.582 324 2HZ LYS 68 2HZ LYS 68 18.554 -13.667 -11.779 325 3HZ LYS 68 3HZ LYS 68 16.861 -13.736 -11.897 326 H ASP 69 H ASP 69 17.854 -14.614 -5.716 327 HA ASP 69 HA ASP 69 18.759 -13.717 -3.102 328 1HB ASP 69 2HB ASP 69 20.186 -15.766 -3.198 329 2HB ASP 69 1HB ASP 69 18.478 -16.099 -3.490 330 H GLY 70 H GLY 70 19.695 -12.940 -6.267 331 1HA GLY 70 2HA GLY 70 22.546 -12.552 -5.538 332 2HA GLY 70 1HA GLY 70 21.872 -12.403 -7.161 333 H ASP 71 H ASP 71 20.390 -10.920 -4.344 334 HA ASP 71 HA ASP 71 19.989 -8.677 -3.813 335 1HB ASP 71 2HB ASP 71 22.742 -8.558 -5.033 336 2HB ASP 71 1HB ASP 71 21.915 -7.082 -4.539 337 H ILE 72 H ILE 72 18.619 -9.580 -5.989 338 HA ILE 72 HA ILE 72 18.673 -7.221 -7.823 339 HB ILE 72 HB ILE 72 17.867 -10.021 -8.626 340 1HG1 ILE 72 2HG1 ILE 72 20.545 -8.613 -8.813 341 2HG1 ILE 72 1HG1 ILE 72 20.201 -10.156 -8.048 342 1HG2 ILE 72 1HG2 ILE 72 16.958 -8.110 -9.934 343 2HG2 ILE 72 2HG2 ILE 72 18.052 -9.112 -10.887 344 3HG2 ILE 72 3HG2 ILE 72 18.608 -7.569 -10.242 345 1HD1 ILE 72 1HD1 ILE 72 19.335 -10.409 -10.732 346 2HD1 ILE 72 2HD1 ILE 72 20.725 -11.187 -9.978 347 3HD1 ILE 72 3HD1 ILE 72 20.918 -9.635 -10.793 348 H SER 73 H SER 73 16.544 -6.627 -8.666 349 HA SER 73 HA SER 73 14.327 -7.543 -6.879 350 1HB SER 73 2HB SER 73 14.967 -4.866 -8.102 351 2HB SER 73 1HB SER 73 13.318 -5.260 -7.627 352 HG SER 73 HG SER 73 14.544 -4.250 -5.949 353 H ILE 74 H ILE 74 12.170 -7.526 -7.907 354 HA ILE 74 HA ILE 74 12.133 -7.687 -10.862 355 HB ILE 74 HB ILE 74 11.386 -9.979 -9.021 356 1HG1 ILE 74 2HG1 ILE 74 13.465 -9.709 -11.210 357 2HG1 ILE 74 1HG1 ILE 74 13.785 -9.806 -9.485 358 1HG2 ILE 74 1HG2 ILE 74 9.717 -9.844 -10.777 359 2HG2 ILE 74 2HG2 ILE 74 10.815 -11.167 -11.168 360 3HG2 ILE 74 3HG2 ILE 74 10.964 -9.621 -12.002 361 1HD1 ILE 74 1HD1 ILE 74 13.687 -12.054 -9.519 362 2HD1 ILE 74 2HD1 ILE 74 13.594 -11.965 -11.277 363 3HD1 ILE 74 3HD1 ILE 74 12.116 -12.027 -10.318 364 H LEU 75 H LEU 75 10.777 -5.774 -10.559 365 HA LEU 75 HA LEU 75 8.264 -6.099 -9.091 366 1HB LEU 75 2HB LEU 75 9.597 -3.952 -9.096 367 2HB LEU 75 1HB LEU 75 9.122 -3.749 -10.777 368 HG LEU 75 HG LEU 75 6.927 -4.357 -8.874 369 1HD1 LEU 75 1HD1 LEU 75 6.909 -2.332 -7.754 370 2HD1 LEU 75 2HD1 LEU 75 7.829 -1.508 -9.013 371 3HD1 LEU 75 3HD1 LEU 75 8.649 -2.585 -7.883 372 1HD2 LEU 75 1HD2 LEU 75 6.228 -3.949 -11.081 373 2HD2 LEU 75 2HD2 LEU 75 7.404 -2.656 -11.315 374 3HD2 LEU 75 3HD2 LEU 75 5.983 -2.384 -10.307 375 H GLU 76 H GLU 76 6.692 -7.220 -10.076 376 HA GLU 76 HA GLU 76 6.361 -6.943 -13.028 377 1HB GLU 76 2HB GLU 76 5.061 -8.976 -11.190 378 2HB GLU 76 1HB GLU 76 5.131 -9.022 -12.950 379 1HG GLU 76 2HG GLU 76 7.422 -9.566 -12.967 380 2HG GLU 76 1HG GLU 76 7.671 -8.982 -11.323 381 H LEU 77 H LEU 77 4.408 -6.134 -13.847 382 HA LEU 77 HA LEU 77 2.307 -5.448 -11.838 383 1HB LEU 77 2HB LEU 77 1.899 -3.335 -13.174 384 2HB LEU 77 1HB LEU 77 3.416 -3.360 -12.279 385 HG LEU 77 HG LEU 77 3.412 -4.364 -15.097 386 1HD1 LEU 77 1HD1 LEU 77 2.938 -1.557 -14.215 387 2HD1 LEU 77 2HD1 LEU 77 2.412 -2.376 -15.685 388 3HD1 LEU 77 3HD1 LEU 77 4.075 -1.809 -15.539 389 1HD2 LEU 77 1HD2 LEU 77 5.310 -3.272 -13.080 390 2HD2 LEU 77 2HD2 LEU 77 5.638 -2.869 -14.765 391 3HD2 LEU 77 3HD2 LEU 77 5.549 -4.557 -14.263 392 H ASN 78 H ASN 78 0.334 -6.187 -12.439 393 HA ASN 78 HA ASN 78 0.038 -7.417 -15.098 394 1HB ASN 78 2HB ASN 78 -2.030 -7.256 -12.908 395 2HB ASN 78 1HB ASN 78 -1.927 -8.422 -14.208 396 1HD2 ASN 78 1HD2 ASN 78 1.088 -8.734 -13.788 397 2HD2 ASN 78 2HD2 ASN 78 1.226 -9.681 -12.390 398 H VAL 79 H VAL 79 -1.401 -6.658 -16.665 399 HA VAL 79 HA VAL 79 -2.768 -4.074 -16.025 400 HB VAL 79 HB VAL 79 -1.711 -4.922 -18.734 401 1HG1 VAL 79 1HG1 VAL 79 -2.978 -2.450 -17.572 402 2HG1 VAL 79 2HG1 VAL 79 -3.398 -3.315 -19.051 403 3HG1 VAL 79 3HG1 VAL 79 -1.929 -2.340 -18.985 404 1HG2 VAL 79 1HG2 VAL 79 -0.495 -2.920 -16.806 405 2HG2 VAL 79 2HG2 VAL 79 0.185 -3.483 -18.333 406 3HG2 VAL 79 3HG2 VAL 79 0.076 -4.581 -16.958 407 H THR 80 H THR 80 -4.796 -4.955 -15.580 408 HA THR 80 HA THR 80 -6.010 -6.881 -17.437 409 HB THR 80 HB THR 80 -7.250 -5.453 -15.068 410 HG1 THR 80 HG1 THR 80 -6.573 -7.153 -13.881 411 1HG2 THR 80 1HG2 THR 80 -8.924 -7.174 -15.149 412 2HG2 THR 80 2HG2 THR 80 -8.030 -8.065 -16.379 413 3HG2 THR 80 3HG2 THR 80 -8.780 -6.522 -16.781 414 H LEU 81 H LEU 81 -6.321 -5.767 -19.400 415 HA LEU 81 HA LEU 81 -7.676 -3.167 -19.420 416 1HB LEU 81 2HB LEU 81 -6.938 -5.021 -21.707 417 2HB LEU 81 1HB LEU 81 -7.426 -3.338 -21.849 418 HG LEU 81 HG LEU 81 -5.142 -3.910 -20.033 419 1HD1 LEU 81 1HD1 LEU 81 -4.812 -3.861 -23.046 420 2HD1 LEU 81 2HD1 LEU 81 -4.759 -5.335 -22.081 421 3HD1 LEU 81 3HD1 LEU 81 -3.544 -4.080 -21.840 422 1HD2 LEU 81 1HD2 LEU 81 -4.453 -1.747 -20.711 423 2HD2 LEU 81 2HD2 LEU 81 -6.212 -1.632 -20.642 424 3HD2 LEU 81 3HD2 LEU 81 -5.399 -1.819 -22.197 425 HA PRO 82 HA PRO 82 -11.689 -5.163 -19.760 426 1HB PRO 82 2HB PRO 82 -13.169 -2.909 -20.182 427 2HB PRO 82 1HB PRO 82 -12.502 -3.352 -18.603 428 1HG PRO 82 2HG PRO 82 -11.685 -1.206 -20.440 429 2HG PRO 82 1HG PRO 82 -11.417 -1.363 -18.699 430 1HD PRO 82 2HD PRO 82 -9.539 -1.876 -20.801 431 2HD PRO 82 1HD PRO 82 -9.309 -2.119 -19.056 432 H GLU 83 H GLU 83 -13.716 -4.819 -21.352 433 HA GLU 83 HA GLU 83 -12.880 -5.568 -23.964 434 1HB GLU 83 2HB GLU 83 -15.412 -5.059 -22.575 435 2HB GLU 83 1HB GLU 83 -15.476 -4.619 -24.280 436 1HG GLU 83 2HG GLU 83 -14.557 -6.868 -24.855 437 2HG GLU 83 1HG GLU 83 -14.642 -7.301 -23.148 438 H ALA 84 H ALA 84 -14.284 -4.138 -25.806 439 HA ALA 84 HA ALA 84 -14.103 -1.306 -25.632 440 1HB ALA 84 1HB ALA 84 -11.724 -1.482 -25.548 441 2HB ALA 84 2HB ALA 84 -12.103 -1.063 -27.219 442 3HB ALA 84 3HB ALA 84 -11.702 -2.728 -26.797 443 H GLU 85 H GLU 85 -13.834 -0.459 -28.132 444 HA GLU 85 HA GLU 85 -14.679 -2.192 -30.232 445 1HB GLU 85 2HB GLU 85 -16.730 -1.929 -28.507 446 2HB GLU 85 1HB GLU 85 -16.999 -0.482 -29.481 447 1HG GLU 85 2HG GLU 85 -16.524 -3.179 -30.754 448 2HG GLU 85 1HG GLU 85 -18.138 -2.653 -30.278 449 H GLU 86 H GLU 86 -15.288 1.102 -28.980 450 HA GLU 86 HA GLU 86 -14.969 2.243 -31.647 451 1HB GLU 86 2HB GLU 86 -15.333 4.414 -30.478 452 2HB GLU 86 1HB GLU 86 -16.607 3.244 -30.134 453 1HG GLU 86 2HG GLU 86 -14.323 3.101 -28.273 454 2HG GLU 86 1HG GLU 86 -15.194 4.633 -28.219 455 H LEU 87 H LEU 87 -12.666 1.002 -31.322 456 HA LEU 87 HA LEU 87 -10.727 3.041 -30.311 457 1HB LEU 87 2HB LEU 87 -10.804 0.087 -30.217 458 2HB LEU 87 1HB LEU 87 -9.243 0.759 -30.679 459 HG LEU 87 HG LEU 87 -9.396 0.470 -28.233 460 1HD1 LEU 87 1HD1 LEU 87 -8.304 2.432 -27.783 461 2HD1 LEU 87 2HD1 LEU 87 -9.572 3.425 -28.503 462 3HD1 LEU 87 3HD1 LEU 87 -8.395 2.612 -29.535 463 1HD2 LEU 87 1HD2 LEU 87 -11.997 1.024 -28.411 464 2HD2 LEU 87 2HD2 LEU 87 -11.431 2.656 -28.054 465 3HD2 LEU 87 3HD2 LEU 87 -11.097 1.341 -26.927 466 H LYS 88 HN LYS 88 -8.999 3.641 -31.679 467 HA LYS 88 HA LYS 88 -9.317 2.805 -34.536 468 1HB LYS 88 2HB LYS 88 -8.649 5.443 -33.259 469 2HB LYS 88 1HB LYS 88 -8.066 5.089 -34.886 470 1HG LYS 88 2HG LYS 88 -10.181 5.095 -35.796 471 2HG LYS 88 1HG LYS 88 -10.936 4.511 -34.311 472 1HD LYS 88 2HD LYS 88 -11.654 6.731 -34.351 473 2HD LYS 88 1HD LYS 88 -10.203 6.849 -33.354 474 1HE LYS 88 2HE LYS 88 -9.845 8.567 -34.890 475 2HE LYS 88 1HE LYS 88 -8.995 7.229 -35.661 476 1HZ LYS 88 1HZ LYS 88 -10.998 6.774 -36.958 477 2HZ LYS 88 2HZ LYS 88 -10.416 8.344 -37.240 478 3HZ LYS 88 3HZ LYS 88 -11.772 8.104 -36.246 479 1H ARG 31 1H ARG 31 5.280 -10.319 -34.376 480 2H ARG 31 2H ARG 31 3.619 -10.173 -34.705 481 3H ARG 31 3H ARG 31 4.252 -11.649 -34.152 482 HA ARG 31 HA ARG 31 4.437 -10.962 -32.002 483 1HB ARG 31 2HB ARG 31 4.607 -8.555 -31.385 484 2HB ARG 31 1HB ARG 31 5.900 -9.064 -32.469 485 1HG ARG 31 2HG ARG 31 3.887 -8.264 -34.215 486 2HG ARG 31 1HG ARG 31 3.775 -7.093 -32.902 487 1HD ARG 31 2HD ARG 31 6.433 -7.097 -33.177 488 2HD ARG 31 1HD ARG 31 6.011 -7.589 -34.817 489 HE ARG 31 HE ARG 31 4.363 -5.406 -34.293 490 1HH1 ARG 31 1HH2 ARG 31 7.808 -6.009 -34.273 491 2HH1 ARG 31 2HH2 ARG 31 8.197 -4.376 -34.687 492 1HH2 ARG 31 1HH1 ARG 31 4.911 -3.305 -34.828 493 2HH2 ARG 31 2HH1 ARG 31 6.576 -2.860 -34.999 494 H SER 32 H SER 32 2.520 -11.428 -31.090 495 HA SER 32 HA SER 32 -0.010 -10.742 -32.204 496 1HB SER 32 2HB SER 32 0.481 -11.416 -29.301 497 2HB SER 32 1HB SER 32 -0.968 -11.726 -30.252 498 HG SER 32 HG SER 32 -0.011 -13.605 -30.488 499 H ASP 33 H ASP 33 2.159 -8.864 -30.281 500 HA ASP 33 HA ASP 33 0.055 -7.147 -29.200 501 1HB ASP 33 2HB ASP 33 3.044 -6.696 -29.171 502 2HB ASP 33 1HB ASP 33 1.841 -5.904 -28.153 503 H ALA 34 H ALA 34 0.888 -7.429 -32.257 504 HA ALA 34 HA ALA 34 1.474 -4.615 -32.845 505 1HB ALA 34 1HB ALA 34 2.178 -6.966 -34.093 506 2HB ALA 34 2HB ALA 34 2.264 -5.370 -34.835 507 3HB ALA 34 3HB ALA 34 0.853 -6.394 -35.104 508 H GLU 35 H GLU 35 -1.252 -6.683 -32.516 509 HA GLU 35 HA GLU 35 -3.048 -5.606 -34.411 510 1HB GLU 35 2HB GLU 35 -3.793 -6.551 -31.632 511 2HB GLU 35 1HB GLU 35 -4.819 -6.525 -33.062 512 1HG GLU 35 2HG GLU 35 -2.330 -7.994 -33.532 513 2HG GLU 35 1HG GLU 35 -3.260 -8.674 -32.198 514 HA PRO 36 HA PRO 36 -4.256 -2.229 -31.251 515 1HB PRO 36 2HB PRO 36 -2.761 -1.916 -28.988 516 2HB PRO 36 1HB PRO 36 -4.137 -3.022 -29.101 517 1HG PRO 36 2HG PRO 36 -1.272 -3.625 -28.940 518 2HG PRO 36 1HG PRO 36 -2.663 -4.660 -28.592 519 1HD PRO 36 2HD PRO 36 -1.029 -4.639 -30.954 520 2HD PRO 36 1HD PRO 36 -2.424 -5.669 -30.608 521 H HIS 37 H HIS 37 -0.706 -2.642 -31.109 522 HA HIS 37 HA HIS 37 1.004 -1.309 -31.934 523 1HB HIS 37 2HB HIS 37 0.612 0.017 -33.739 524 2HB HIS 37 1HB HIS 37 -0.994 -0.681 -33.661 525 HD1 HIS 37 HD1 HIS 37 -2.832 1.001 -33.692 526 HD2 HIS 37 HD2 HIS 37 0.681 2.637 -32.155 527 HE1 HIS 37 HE1 HIS 37 -3.315 3.444 -33.244 528 H TYR 38 H TYR 38 -1.149 -0.436 -29.517 529 HA TYR 38 HA TYR 38 0.591 1.848 -28.705 530 1HB TYR 38 2HB TYR 38 -1.373 2.501 -27.238 531 2HB TYR 38 1HB TYR 38 -1.655 2.665 -28.970 532 HD1 TYR 38 HD1 TYR 38 -2.430 0.698 -25.948 533 HD2 TYR 38 HD2 TYR 38 -3.159 1.158 -30.155 534 HE1 TYR 38 HE1 TYR 38 -4.375 -0.832 -25.779 535 HE2 TYR 38 HE2 TYR 38 -5.103 -0.372 -29.986 536 HH TYR 38 HH TYR 38 -6.719 -1.027 -27.559 537 H LEU 39 H LEU 39 -0.995 -1.142 -27.693 538 HA LEU 39 HA LEU 39 -0.436 -1.192 -24.955 539 1HB LEU 39 2HB LEU 39 -1.228 -3.056 -26.931 540 2HB LEU 39 1HB LEU 39 0.145 -3.785 -26.108 541 HG LEU 39 HG LEU 39 -1.919 -4.404 -24.952 542 1HD1 LEU 39 1HD1 LEU 39 -1.138 -4.036 -22.819 543 2HD1 LEU 39 2HD1 LEU 39 -0.881 -2.314 -23.098 544 3HD1 LEU 39 3HD1 LEU 39 0.284 -3.490 -23.707 545 1HD2 LEU 39 1HD2 LEU 39 -2.408 -1.453 -25.139 546 2HD2 LEU 39 2HD2 LEU 39 -3.084 -2.336 -23.771 547 3HD2 LEU 39 3HD2 LEU 39 -3.522 -2.790 -25.417 548 HA PRO 40 HA PRO 40 3.997 -2.874 -25.836 549 1HB PRO 40 2HB PRO 40 4.934 -2.737 -28.404 550 2HB PRO 40 1HB PRO 40 4.097 -4.146 -27.736 551 1HG PRO 40 2HG PRO 40 3.104 -2.079 -29.614 552 2HG PRO 40 1HG PRO 40 2.663 -3.784 -29.470 553 1HD PRO 40 2HD PRO 40 1.149 -1.641 -28.528 554 2HD PRO 40 1HD PRO 40 0.960 -3.331 -28.016 555 H GLN 41 H GLN 41 2.706 -0.023 -27.304 556 HA GLN 41 HA GLN 41 5.215 1.452 -27.468 557 1HB GLN 41 2HB GLN 41 3.323 2.067 -28.909 558 2HB GLN 41 1HB GLN 41 2.310 2.346 -27.496 559 1HG GLN 41 2HG GLN 41 3.124 4.487 -28.335 560 2HG GLN 41 1HG GLN 41 3.879 4.152 -26.776 561 1HE2 GLN 41 1HE2 GLN 41 5.895 5.219 -27.100 562 2HE2 GLN 41 2HE2 GLN 41 6.994 4.783 -28.318 563 H LEU 42 H LEU 42 2.605 1.002 -25.144 564 HA LEU 42 HA LEU 42 3.511 3.058 -23.339 565 1HB LEU 42 2HB LEU 42 1.670 0.698 -22.888 566 2HB LEU 42 1HB LEU 42 1.930 1.989 -21.743 567 HG LEU 42 HG LEU 42 0.333 3.234 -22.714 568 1HD1 LEU 42 1HD1 LEU 42 2.110 3.995 -24.367 569 2HD1 LEU 42 2HD1 LEU 42 0.447 4.124 -24.927 570 3HD1 LEU 42 3HD1 LEU 42 1.460 2.800 -25.488 571 1HD2 LEU 42 1HD2 LEU 42 -0.994 1.376 -23.135 572 2HD2 LEU 42 2HD2 LEU 42 0.117 0.727 -24.339 573 3HD2 LEU 42 3HD2 LEU 42 -0.906 2.107 -24.738 574 H ARG 43 H ARG 43 3.834 -0.502 -23.458 575 HA ARG 43 HA ARG 43 5.207 -0.783 -20.983 576 1HB ARG 43 2HB ARG 43 5.926 -2.950 -21.796 577 2HB ARG 43 1HB ARG 43 4.280 -2.679 -22.330 578 1HG ARG 43 2HG ARG 43 5.137 -1.946 -24.536 579 2HG ARG 43 1HG ARG 43 6.775 -2.316 -24.003 580 1HD ARG 43 2HD ARG 43 5.937 -4.674 -23.503 581 2HD ARG 43 1HD ARG 43 4.477 -4.241 -24.390 582 HE ARG 43 HE ARG 43 6.928 -3.701 -25.878 583 1HH1 ARG 43 1HH2 ARG 43 4.513 -6.103 -25.079 584 2HH1 ARG 43 2HH2 ARG 43 4.812 -7.023 -26.510 585 1HH2 ARG 43 2HH1 ARG 43 7.282 -4.926 -27.715 586 2HH2 ARG 43 1HH1 ARG 43 6.362 -6.367 -27.988 587 H LYS 44 H LYS 44 6.447 -0.175 -24.280 588 HA LYS 44 HA LYS 44 9.191 -0.193 -23.505 589 1HB LYS 44 2HB LYS 44 9.601 0.945 -25.642 590 2HB LYS 44 1HB LYS 44 8.466 -0.378 -25.867 591 1HG LYS 44 2HG LYS 44 6.605 1.129 -25.957 592 2HG LYS 44 1HG LYS 44 7.589 2.484 -25.417 593 1HD LYS 44 2HD LYS 44 7.354 2.728 -27.789 594 2HD LYS 44 1HD LYS 44 8.996 2.150 -27.505 595 1HE LYS 44 2HE LYS 44 8.429 -0.078 -28.142 596 2HE LYS 44 1HE LYS 44 6.701 0.270 -28.087 597 1HZ LYS 44 1HZ LYS 44 8.631 1.506 -29.976 598 2HZ LYS 44 2HZ LYS 44 6.951 1.763 -29.945 599 3HZ LYS 44 3HZ LYS 44 7.572 0.237 -30.358 600 H ASP 45 H ASP 45 6.638 2.214 -23.379 601 HA ASP 45 HA ASP 45 8.312 4.491 -22.918 602 1HB ASP 45 2HB ASP 45 5.425 3.905 -22.235 603 2HB ASP 45 1HB ASP 45 6.189 5.452 -21.902 604 H ILE 46 H ILE 46 6.636 2.214 -20.696 605 HA ILE 46 HA ILE 46 7.496 3.486 -18.283 606 HB ILE 46 HB ILE 46 5.732 1.683 -18.436 607 1HG1 ILE 46 2HG1 ILE 46 7.954 1.148 -16.445 608 2HG1 ILE 46 1HG1 ILE 46 6.789 2.465 -16.307 609 1HG2 ILE 46 1HG2 ILE 46 6.416 -0.167 -19.565 610 2HG2 ILE 46 2HG2 ILE 46 6.978 -0.668 -17.976 611 3HG2 ILE 46 3HG2 ILE 46 8.105 0.036 -19.125 612 1HD1 ILE 46 1HD1 ILE 46 6.332 0.178 -15.083 613 2HD1 ILE 46 2HD1 ILE 46 5.788 -0.342 -16.678 614 3HD1 ILE 46 3HD1 ILE 46 5.009 1.026 -15.883 615 H LEU 47 H LEU 47 9.146 1.346 -20.519 616 HA LEU 47 HA LEU 47 11.365 0.681 -18.819 617 1HB LEU 47 2HB LEU 47 10.922 0.727 -21.803 618 2HB LEU 47 1HB LEU 47 12.517 0.397 -21.137 619 HG LEU 47 HG LEU 47 10.063 -1.117 -20.242 620 1HD1 LEU 47 1HD1 LEU 47 11.274 -2.911 -21.799 621 2HD1 LEU 47 2HD1 LEU 47 11.786 -1.460 -22.660 622 3HD1 LEU 47 3HD1 LEU 47 10.069 -1.801 -22.451 623 1HD2 LEU 47 1HD2 LEU 47 11.700 -1.616 -18.699 624 2HD2 LEU 47 2HD2 LEU 47 13.013 -1.256 -19.819 625 3HD2 LEU 47 3HD2 LEU 47 12.146 -2.788 -19.939 626 H GLU 48 H GLU 48 10.739 3.245 -21.190 627 HA GLU 48 HA GLU 48 13.292 4.553 -20.829 628 1HB GLU 48 2HB GLU 48 10.882 6.129 -21.664 629 2HB GLU 48 1HB GLU 48 12.530 6.211 -22.276 630 1HG GLU 48 2HG GLU 48 11.767 3.644 -22.963 631 2HG GLU 48 1HG GLU 48 10.280 4.555 -23.164 632 H VAL 49 H VAL 49 10.080 4.815 -19.414 633 HA VAL 49 HA VAL 49 10.512 7.173 -17.867 634 HB VAL 49 HB VAL 49 8.770 4.782 -17.183 635 1HG1 VAL 49 1HG1 VAL 49 9.286 6.564 -15.401 636 2HG1 VAL 49 2HG1 VAL 49 7.584 6.245 -15.736 637 3HG1 VAL 49 3HG1 VAL 49 8.362 7.675 -16.412 638 1HG2 VAL 49 1HG2 VAL 49 8.615 6.402 -19.442 639 2HG2 VAL 49 2HG2 VAL 49 7.486 7.164 -18.325 640 3HG2 VAL 49 3HG2 VAL 49 7.286 5.467 -18.758 641 H ILE 50 H ILE 50 10.739 3.718 -16.886 642 HA ILE 50 HA ILE 50 11.924 4.193 -14.337 643 HB ILE 50 HB ILE 50 12.408 1.830 -16.179 644 1HG1 ILE 50 2HG1 ILE 50 10.435 1.834 -13.924 645 2HG1 ILE 50 1HG1 ILE 50 9.967 2.584 -15.450 646 1HG2 ILE 50 1HG2 ILE 50 13.020 2.442 -13.321 647 2HG2 ILE 50 2HG2 ILE 50 13.938 1.487 -14.485 648 3HG2 ILE 50 3HG2 ILE 50 12.506 0.801 -13.715 649 1HD1 ILE 50 1HD1 ILE 50 9.565 -0.010 -15.029 650 2HD1 ILE 50 2HD1 ILE 50 11.250 -0.118 -15.539 651 3HD1 ILE 50 3HD1 ILE 50 10.047 0.585 -16.618 652 H CYS 51 H CYS 51 13.229 4.429 -17.549 653 HA CYS 51 HA CYS 51 16.009 4.251 -16.788 654 1HB CYS 51 2HB CYS 51 14.983 3.884 -19.129 655 2HB CYS 51 1HB CYS 51 14.932 5.643 -19.243 656 HG CYS 51 HG CYS 51 17.548 3.953 -19.053 657 H LYS 52 H LYS 52 13.761 6.926 -17.496 658 HA LYS 52 HA LYS 52 15.584 9.073 -17.143 659 1HB LYS 52 2HB LYS 52 12.653 9.088 -16.376 660 2HB LYS 52 1HB LYS 52 13.647 10.489 -16.758 661 1HG LYS 52 2HG LYS 52 13.590 10.087 -19.020 662 2HG LYS 52 1HG LYS 52 13.483 8.339 -18.817 663 1HD LYS 52 2HD LYS 52 11.289 8.655 -19.374 664 2HD LYS 52 1HD LYS 52 11.125 9.118 -17.681 665 1HE LYS 52 2HE LYS 52 10.145 10.920 -18.843 666 2HE LYS 52 1HE LYS 52 11.772 11.496 -18.480 667 1HZ LYS 52 1HZ LYS 52 11.202 11.923 -20.778 668 2HZ LYS 52 2HZ LYS 52 10.888 10.273 -21.038 669 3HZ LYS 52 3HZ LYS 52 12.467 10.797 -20.691 670 H TYR 53 H TYR 53 13.821 7.140 -14.795 671 HA TYR 53 HA TYR 53 14.836 8.829 -12.578 672 1HB TYR 53 2HB TYR 53 12.832 6.550 -12.608 673 2HB TYR 53 1HB TYR 53 13.276 7.492 -11.199 674 HD1 TYR 53 HD1 TYR 53 11.823 9.205 -10.595 675 HD2 TYR 53 HD2 TYR 53 12.140 8.124 -14.732 676 HE1 TYR 53 HE1 TYR 53 10.052 10.844 -11.174 677 HE2 TYR 53 HE2 TYR 53 10.385 9.755 -15.310 678 HH TYR 53 HH TYR 53 9.545 12.090 -13.977 679 H VAL 54 H VAL 54 15.511 5.862 -14.220 680 HA VAL 54 HA VAL 54 17.572 5.202 -12.210 681 HB VAL 54 HB VAL 54 15.766 2.942 -13.072 682 1HG1 VAL 54 1HG1 VAL 54 16.797 1.781 -11.355 683 2HG1 VAL 54 2HG1 VAL 54 17.069 3.235 -10.394 684 3HG1 VAL 54 3HG1 VAL 54 18.093 2.895 -11.790 685 1HG2 VAL 54 1HG2 VAL 54 15.309 4.653 -10.603 686 2HG2 VAL 54 2HG2 VAL 54 14.402 3.212 -11.061 687 3HG2 VAL 54 3HG2 VAL 54 14.283 4.677 -12.037 688 H GLN 55 H GLN 55 17.589 2.402 -13.766 689 HA GLN 55 HA GLN 55 18.124 3.043 -16.500 690 1HB GLN 55 2HB GLN 55 20.223 3.672 -14.622 691 2HB GLN 55 1HB GLN 55 20.761 2.386 -15.700 692 1HG GLN 55 2HG GLN 55 20.378 3.701 -17.640 693 2HG GLN 55 1HG GLN 55 19.412 4.877 -16.746 694 1HE2 GLN 55 1HE2 GLN 55 20.866 6.647 -17.375 695 2HE2 GLN 55 2HE2 GLN 55 22.409 6.798 -16.685 696 H ILE 56 H ILE 56 17.328 1.138 -17.179 697 HA ILE 56 HA ILE 56 18.735 -1.347 -16.347 698 HB ILE 56 HB ILE 56 16.392 -2.466 -16.450 699 1HG1 ILE 56 2HG1 ILE 56 15.258 0.030 -15.343 700 2HG1 ILE 56 1HG1 ILE 56 15.574 0.085 -17.077 701 1HG2 ILE 56 1HG2 ILE 56 17.986 -1.761 -14.417 702 2HG2 ILE 56 2HG2 ILE 56 16.401 -2.489 -14.158 703 3HG2 ILE 56 3HG2 ILE 56 16.599 -0.742 -14.033 704 1HD1 ILE 56 1HD1 ILE 56 13.872 -1.928 -15.580 705 2HD1 ILE 56 2HD1 ILE 56 14.352 -2.130 -17.266 706 3HD1 ILE 56 3HD1 ILE 56 13.337 -0.766 -16.795 707 H ASP 57 H ASP 57 18.123 -3.169 -17.908 708 HA ASP 57 HA ASP 57 18.013 -2.029 -20.653 709 1HB ASP 57 2HB ASP 57 19.110 -4.544 -19.446 710 2HB ASP 57 1HB ASP 57 18.637 -4.561 -21.143 711 HA PRO 58 HA PRO 58 14.010 -3.767 -21.411 712 1HB PRO 58 2HB PRO 58 14.211 -4.619 -24.003 713 2HB PRO 58 1HB PRO 58 14.099 -2.911 -23.546 714 1HG PRO 58 2HG PRO 58 16.462 -4.477 -24.435 715 2HG PRO 58 1HG PRO 58 16.083 -2.766 -24.680 716 1HD PRO 58 2HD PRO 58 17.886 -3.750 -22.793 717 2HD PRO 58 1HD PRO 58 17.131 -2.142 -22.741 718 H GLU 59 H GLU 59 16.793 -5.782 -22.136 719 HA GLU 59 HA GLU 59 15.361 -8.288 -22.293 720 1HB GLU 59 2HB GLU 59 18.251 -7.767 -21.523 721 2HB GLU 59 1HB GLU 59 17.573 -9.318 -22.021 722 1HG GLU 59 2HG GLU 59 17.251 -6.942 -23.823 723 2HG GLU 59 1HG GLU 59 18.795 -7.792 -23.791 724 H MET 60 H MET 60 16.050 -6.162 -19.686 725 HA MET 60 HA MET 60 16.091 -8.286 -17.644 726 1HB MET 60 2HB MET 60 16.337 -5.281 -17.626 727 2HB MET 60 1HB MET 60 16.040 -6.162 -16.132 728 1HG MET 60 2HG MET 60 18.190 -7.297 -17.816 729 2HG MET 60 1HG MET 60 18.531 -5.688 -17.181 730 1HE MET 60 1HE MET 60 18.513 -5.914 -13.481 731 2HE MET 60 2HE MET 60 17.879 -5.017 -14.859 732 3HE MET 60 3HE MET 60 19.600 -5.385 -14.773 733 H VAL 61 H VAL 61 13.836 -6.105 -19.185 734 HA VAL 61 HA VAL 61 11.786 -6.626 -17.104 735 HB VAL 61 HB VAL 61 11.611 -4.878 -19.576 736 1HG1 VAL 61 1HG1 VAL 61 9.488 -5.736 -18.397 737 2HG1 VAL 61 2HG1 VAL 61 9.634 -3.990 -18.611 738 3HG1 VAL 61 3HG1 VAL 61 9.977 -4.718 -17.041 739 1HG2 VAL 61 1HG2 VAL 61 13.146 -3.635 -18.425 740 2HG2 VAL 61 2HG2 VAL 61 12.821 -4.459 -16.901 741 3HG2 VAL 61 3HG2 VAL 61 11.752 -3.170 -17.451 742 H THR 62 H THR 62 10.240 -8.167 -17.434 743 HA THR 62 HA THR 62 10.148 -9.509 -20.057 744 HB THR 62 HB THR 62 8.629 -10.399 -17.615 745 HG1 THR 62 HG1 THR 62 11.337 -10.979 -18.232 746 1HG2 THR 62 1HG2 THR 62 9.468 -12.635 -18.746 747 2HG2 THR 62 2HG2 THR 62 9.654 -11.598 -20.162 748 3HG2 THR 62 3HG2 THR 62 8.074 -11.774 -19.398 749 H VAL 63 H VAL 63 8.039 -9.998 -21.024 750 HA VAL 63 HA VAL 63 5.788 -8.285 -20.112 751 HB VAL 63 HB VAL 63 6.771 -8.371 -22.976 752 1HG1 VAL 63 1HG1 VAL 63 4.366 -8.012 -22.803 753 2HG1 VAL 63 2HG1 VAL 63 5.140 -6.483 -23.222 754 3HG1 VAL 63 3HG1 VAL 63 4.608 -6.777 -21.567 755 1HG2 VAL 63 1HG2 VAL 63 7.112 -6.325 -20.777 756 2HG2 VAL 63 2HG2 VAL 63 7.291 -5.921 -22.484 757 3HG2 VAL 63 3HG2 VAL 63 8.371 -7.099 -21.738 758 H GLN 64 H GLN 64 4.107 -9.668 -19.899 759 HA GLN 64 HA GLN 64 3.789 -11.802 -21.954 760 1HB GLN 64 2HB GLN 64 2.890 -13.262 -20.101 761 2HB GLN 64 1HB GLN 64 4.609 -12.900 -19.961 762 1HG GLN 64 2HG GLN 64 2.830 -10.947 -18.634 763 2HG GLN 64 1HG GLN 64 2.798 -12.560 -17.933 764 1HE2 GLN 64 1HE2 GLN 64 4.776 -13.376 -16.957 765 2HE2 GLN 64 2HE2 GLN 64 6.100 -12.361 -16.644 766 H LEU 65 H LEU 65 1.749 -11.919 -22.821 767 HA LEU 65 HA LEU 65 -0.290 -10.095 -21.684 768 1HB LEU 65 2HB LEU 65 -1.381 -10.369 -23.912 769 2HB LEU 65 1HB LEU 65 0.217 -9.640 -23.995 770 HG LEU 65 HG LEU 65 0.311 -12.569 -24.131 771 1HD1 LEU 65 1HD1 LEU 65 -1.192 -11.033 -26.271 772 2HD1 LEU 65 2HD1 LEU 65 -1.835 -12.326 -25.261 773 3HD1 LEU 65 3HD1 LEU 65 -0.591 -12.680 -26.458 774 1HD2 LEU 65 1HD2 LEU 65 1.425 -10.180 -25.551 775 2HD2 LEU 65 2HD2 LEU 65 1.486 -11.739 -26.372 776 3HD2 LEU 65 3HD2 LEU 65 2.273 -11.534 -24.808 777 H GLU 66 H GLU 66 -2.241 -10.863 -20.975 778 HA GLU 66 HA GLU 66 -2.825 -13.761 -21.370 779 1HB GLU 66 2HB GLU 66 -2.901 -12.169 -18.803 780 2HB GLU 66 1HB GLU 66 -3.767 -13.691 -18.986 781 1HG GLU 66 2HG GLU 66 -0.782 -13.279 -19.318 782 2HG GLU 66 1HG GLU 66 -1.567 -14.050 -17.944 783 H GLN 67 H GLN 67 -5.225 -14.162 -20.669 784 HA GLN 67 HA GLN 67 -6.967 -11.822 -21.147 785 1HB GLN 67 2HB GLN 67 -6.801 -14.212 -23.000 786 2HB GLN 67 1HB GLN 67 -8.198 -13.137 -22.956 787 1HG GLN 67 2HG GLN 67 -6.768 -11.218 -23.498 788 2HG GLN 67 1HG GLN 67 -5.344 -12.259 -23.490 789 1HE2 GLN 67 1HE2 GLN 67 -4.804 -13.223 -25.459 790 2HE2 GLN 67 2HE2 GLN 67 -5.834 -13.318 -26.803 791 H LYS 68 H LYS 68 -9.255 -12.348 -20.719 792 HA LYS 68 HA LYS 68 -9.518 -14.711 -18.904 793 1HB LYS 68 2HB LYS 68 -10.637 -11.940 -18.799 794 2HB LYS 68 1HB LYS 68 -11.549 -13.255 -18.068 795 1HG LYS 68 2HG LYS 68 -10.082 -13.483 -16.349 796 2HG LYS 68 1HG LYS 68 -8.678 -13.266 -17.394 797 1HD LYS 68 2HD LYS 68 -8.821 -11.401 -15.814 798 2HD LYS 68 1HD LYS 68 -9.129 -10.818 -17.450 799 1HE LYS 68 2HE LYS 68 -10.840 -9.816 -16.173 800 2HE LYS 68 1HE LYS 68 -11.631 -11.217 -16.895 801 1HZ LYS 68 1HZ LYS 68 -11.390 -12.436 -14.896 802 2HZ LYS 68 2HZ LYS 68 -12.020 -10.918 -14.462 803 3HZ LYS 68 3HZ LYS 68 -10.376 -11.263 -14.210 804 H ASP 69 H ASP 69 -11.965 -15.366 -18.748 805 HA ASP 69 HA ASP 69 -12.840 -16.006 -21.446 806 1HB ASP 69 2HB ASP 69 -14.659 -17.250 -20.264 807 2HB ASP 69 1HB ASP 69 -13.044 -17.701 -19.716 808 H GLY 70 H GLY 70 -13.366 -13.344 -19.413 809 1HA GLY 70 2HA GLY 70 -16.115 -12.864 -20.426 810 2HA GLY 70 1HA GLY 70 -15.312 -11.938 -19.158 811 H ASP 71 H ASP 71 -13.753 -12.746 -22.198 812 HA ASP 71 HA ASP 71 -12.924 -11.392 -23.916 813 1HB ASP 71 2HB ASP 71 -15.496 -9.998 -23.192 814 2HB ASP 71 1HB ASP 71 -14.413 -9.309 -24.399 815 H ILE 72 H ILE 72 -11.626 -11.110 -21.536 816 HA ILE 72 HA ILE 72 -11.047 -8.180 -21.447 817 HB ILE 72 HB ILE 72 -10.799 -10.065 -19.097 818 1HG1 ILE 72 2HG1 ILE 72 -13.099 -8.289 -19.959 819 2HG1 ILE 72 1HG1 ILE 72 -13.145 -10.016 -19.646 820 1HG2 ILE 72 1HG2 ILE 72 -9.418 -7.998 -19.101 821 2HG2 ILE 72 2HG2 ILE 72 -10.630 -7.988 -17.822 822 3HG2 ILE 72 3HG2 ILE 72 -10.889 -7.043 -19.287 823 1HD1 ILE 72 1HD1 ILE 72 -12.164 -8.822 -17.272 824 2HD1 ILE 72 2HD1 ILE 72 -13.736 -9.579 -17.521 825 3HD1 ILE 72 3HD1 ILE 72 -13.540 -7.846 -17.787 826 H SER 73 H SER 73 -8.788 -7.676 -20.967 827 HA SER 73 HA SER 73 -6.935 -9.914 -21.717 828 1HB SER 73 2HB SER 73 -6.919 -6.963 -22.344 829 2HB SER 73 1HB SER 73 -5.427 -7.898 -22.385 830 HG SER 73 HG SER 73 -6.529 -7.831 -24.415 831 H ILE 74 H ILE 74 -4.767 -9.746 -20.746 832 HA ILE 74 HA ILE 74 -4.559 -8.144 -18.268 833 HB ILE 74 HB ILE 74 -4.446 -11.175 -18.355 834 1HG1 ILE 74 2HG1 ILE 74 -6.263 -9.239 -16.891 835 2HG1 ILE 74 1HG1 ILE 74 -6.715 -10.260 -18.249 836 1HG2 ILE 74 1HG2 ILE 74 -2.667 -10.393 -16.903 837 2HG2 ILE 74 2HG2 ILE 74 -3.990 -10.965 -15.886 838 3HG2 ILE 74 3HG2 ILE 74 -3.749 -9.235 -16.131 839 1HD1 ILE 74 1HD1 ILE 74 -7.094 -12.016 -16.896 840 2HD1 ILE 74 2HD1 ILE 74 -6.860 -10.936 -15.522 841 3HD1 ILE 74 3HD1 ILE 74 -5.500 -11.860 -16.158 842 H LEU 75 H LEU 75 -2.853 -7.116 -19.541 843 HA LEU 75 HA LEU 75 -0.577 -8.764 -20.362 844 1HB LEU 75 2HB LEU 75 -1.421 -6.802 -21.710 845 2HB LEU 75 1HB LEU 75 -0.798 -5.758 -20.440 846 HG LEU 75 HG LEU 75 1.080 -7.813 -21.466 847 1HD1 LEU 75 1HD1 LEU 75 1.448 -6.892 -23.558 848 2HD1 LEU 75 2HD1 LEU 75 0.814 -5.314 -23.089 849 3HD1 LEU 75 3HD1 LEU 75 -0.294 -6.645 -23.424 850 1HD2 LEU 75 1HD2 LEU 75 2.003 -6.348 -19.877 851 2HD2 LEU 75 2HD2 LEU 75 1.147 -4.951 -20.528 852 3HD2 LEU 75 3HD2 LEU 75 2.519 -5.630 -21.403 853 H GLU 76 H GLU 76 0.788 -9.394 -18.799 854 HA GLU 76 HA GLU 76 1.377 -7.517 -16.558 855 1HB GLU 76 2HB GLU 76 2.084 -10.459 -16.758 856 2HB GLU 76 1HB GLU 76 2.130 -9.449 -15.316 857 1HG GLU 76 2HG GLU 76 -0.217 -9.376 -15.140 858 2HG GLU 76 1HG GLU 76 -0.451 -9.833 -16.827 859 H LEU 77 H LEU 77 3.509 -6.817 -16.238 860 HA LEU 77 HA LEU 77 5.562 -7.906 -18.115 861 1HB LEU 77 2HB LEU 77 6.501 -5.556 -18.249 862 2HB LEU 77 1HB LEU 77 4.953 -5.780 -19.061 863 HG LEU 77 HG LEU 77 4.942 -4.913 -16.199 864 1HD1 LEU 77 1HD1 LEU 77 5.936 -3.337 -18.526 865 2HD1 LEU 77 2HD1 LEU 77 6.380 -3.225 -16.823 866 3HD1 LEU 77 3HD1 LEU 77 4.867 -2.515 -17.389 867 1HD2 LEU 77 1HD2 LEU 77 3.183 -4.840 -18.600 868 2HD2 LEU 77 2HD2 LEU 77 3.066 -3.467 -17.499 869 3HD2 LEU 77 3HD2 LEU 77 2.760 -5.099 -16.907 870 H ASN 78 H ASN 78 7.370 -8.549 -17.059 871 HA ASN 78 HA ASN 78 7.586 -8.012 -14.172 872 1HB ASN 78 2HB ASN 78 9.482 -9.610 -15.891 873 2HB ASN 78 1HB ASN 78 9.225 -9.736 -14.164 874 1HD2 ASN 78 1HD2 ASN 78 6.191 -9.587 -14.529 875 2HD2 ASN 78 2HD2 ASN 78 5.758 -11.119 -15.111 876 H VAL 79 H VAL 79 9.258 -6.803 -13.253 877 HA VAL 79 HA VAL 79 11.093 -5.450 -15.194 878 HB VAL 79 HB VAL 79 10.075 -4.300 -12.584 879 1HG1 VAL 79 1HG1 VAL 79 11.752 -3.319 -14.885 880 2HG1 VAL 79 2HG1 VAL 79 12.081 -3.215 -13.155 881 3HG1 VAL 79 3HG1 VAL 79 10.852 -2.181 -13.882 882 1HG2 VAL 79 1HG2 VAL 79 9.177 -3.609 -15.398 883 2HG2 VAL 79 2HG2 VAL 79 8.503 -3.009 -13.883 884 3HG2 VAL 79 3HG2 VAL 79 8.279 -4.697 -14.340 885 H THR 80 H THR 80 12.853 -6.831 -14.895 886 HA THR 80 HA THR 80 13.761 -7.504 -12.182 887 HB THR 80 HB THR 80 15.105 -8.041 -14.846 888 HG1 THR 80 HG1 THR 80 14.001 -9.922 -14.852 889 1HG2 THR 80 1HG2 THR 80 16.378 -9.692 -13.655 890 2HG2 THR 80 2HG2 THR 80 15.404 -9.478 -12.200 891 3HG2 THR 80 3HG2 THR 80 16.491 -8.194 -12.731 892 H LEU 81 H LEU 81 14.436 -5.547 -11.232 893 HA LEU 81 HA LEU 81 16.309 -3.789 -12.649 894 1HB LEU 81 2HB LEU 81 15.358 -3.741 -9.766 895 2HB LEU 81 1HB LEU 81 16.200 -2.445 -10.606 896 HG LEU 81 HG LEU 81 13.724 -3.474 -11.892 897 1HD1 LEU 81 1HD1 LEU 81 13.626 -1.597 -9.515 898 2HD1 LEU 81 2HD1 LEU 81 13.194 -3.305 -9.431 899 3HD1 LEU 81 3HD1 LEU 81 12.258 -2.208 -10.446 900 1HD2 LEU 81 1HD2 LEU 81 13.559 -1.241 -12.664 901 2HD2 LEU 81 2HD2 LEU 81 15.292 -1.564 -12.664 902 3HD2 LEU 81 3HD2 LEU 81 14.570 -0.625 -11.357 903 HA PRO 82 HA PRO 82 19.823 -6.001 -10.924 904 1HB PRO 82 2HB PRO 82 21.771 -4.307 -11.805 905 2HB PRO 82 1HB PRO 82 20.917 -5.438 -12.864 906 1HG PRO 82 2HG PRO 82 20.704 -2.508 -12.699 907 2HG PRO 82 1HG PRO 82 20.287 -3.597 -14.029 908 1HD PRO 82 2HD PRO 82 18.496 -2.366 -12.163 909 2HD PRO 82 1HD PRO 82 18.097 -3.532 -13.444 910 H GLU 83 H GLU 83 21.983 -5.228 -9.702 911 HA GLU 83 HA GLU 83 21.194 -4.103 -7.212 912 1HB GLU 83 2HB GLU 83 23.672 -5.056 -8.457 913 2HB GLU 83 1HB GLU 83 23.950 -3.726 -7.336 914 1HG GLU 83 2HG GLU 83 22.616 -4.951 -5.616 915 2HG GLU 83 1HG GLU 83 22.487 -6.311 -6.732 916 H ALA 84 H ALA 84 22.994 -2.202 -6.470 917 HA ALA 84 HA ALA 84 23.406 -0.052 -8.285 918 1HB ALA 84 1HB ALA 84 21.043 0.264 -8.415 919 2HB ALA 84 2HB ALA 84 21.619 1.492 -7.286 920 3HB ALA 84 3HB ALA 84 20.845 0.028 -6.677 921 H GLU 85 H GLU 85 23.499 2.134 -6.784 922 HA GLU 85 HA GLU 85 24.104 1.831 -4.015 923 1HB GLU 85 2HB GLU 85 26.037 0.590 -5.418 924 2HB GLU 85 1HB GLU 85 26.673 2.235 -5.463 925 1HG GLU 85 2HG GLU 85 25.729 0.976 -2.886 926 2HG GLU 85 1HG GLU 85 27.381 0.766 -3.469 927 H GLU 86 H GLU 86 25.306 3.543 -6.916 928 HA GLU 86 HA GLU 86 25.424 6.068 -5.457 929 1HB GLU 86 2HB GLU 86 26.156 7.000 -7.649 930 2HB GLU 86 1HB GLU 86 27.126 5.614 -7.151 931 1HG GLU 86 2HG GLU 86 24.738 4.894 -8.727 932 2HG GLU 86 1HG GLU 86 25.908 5.876 -9.608 933 H LEU 87 H LEU 87 22.894 5.395 -5.150 934 HA LEU 87 HA LEU 87 21.364 6.805 -7.296 935 1HB LEU 87 2HB LEU 87 20.808 4.425 -5.632 936 2HB LEU 87 1HB LEU 87 19.460 5.553 -5.761 937 HG LEU 87 HG LEU 87 19.375 3.859 -7.555 938 1HD1 LEU 87 1HD1 LEU 87 18.695 5.359 -9.146 939 2HD1 LEU 87 2HD1 LEU 87 20.191 6.289 -9.060 940 3HD1 LEU 87 3HD1 LEU 87 18.944 6.509 -7.831 941 1HD2 LEU 87 1HD2 LEU 87 22.041 3.846 -7.557 942 2HD2 LEU 87 2HD2 LEU 87 21.810 5.032 -8.842 943 3HD2 LEU 87 3HD2 LEU 87 21.127 3.413 -9.002 944 H LYS 88 HN LYS 88 19.902 8.444 -6.664 945 HA LYS 88 HA LYS 88 20.237 9.398 -3.847 946 1HB LYS 88 2HB LYS 88 20.053 10.853 -6.472 947 2HB LYS 88 1HB LYS 88 19.526 11.654 -4.992 948 1HG LYS 88 2HG LYS 88 21.652 11.745 -4.116 949 2HG LYS 88 1HG LYS 88 22.158 10.257 -4.918 950 1HD LYS 88 2HD LYS 88 23.332 11.864 -6.139 951 2HD LYS 88 1HD LYS 88 21.872 11.678 -7.112 952 1HE LYS 88 2HE LYS 88 21.996 13.999 -6.907 953 2HE LYS 88 1HE LYS 88 20.938 13.585 -5.558 954 1HZ LYS 88 1HZ LYS 88 22.885 13.566 -4.107 955 2HZ LYS 88 2HZ LYS 88 22.670 15.082 -4.841 956 3HZ LYS 88 3HZ LYS 88 23.871 14.023 -5.409 Start of MODEL 19 1 1H ARG 31 1H ARG 31 3.291 -0.976 2.395 2 2H ARG 31 2H ARG 31 3.479 0.343 3.449 3 3H ARG 31 3H ARG 31 4.800 -0.668 3.104 4 HA ARG 31 HA ARG 31 3.448 0.770 0.921 5 1HB ARG 31 2HB ARG 31 4.017 2.410 2.741 6 2HB ARG 31 1HB ARG 31 5.698 1.898 2.609 7 1HG ARG 31 2HG ARG 31 5.445 3.861 1.242 8 2HG ARG 31 1HG ARG 31 5.585 2.483 0.149 9 1HD ARG 31 2HD ARG 31 3.740 4.061 -0.478 10 2HD ARG 31 1HD ARG 31 3.175 2.421 -0.160 11 HE ARG 31 HE ARG 31 1.993 3.245 1.704 12 1HH1 ARG 31 1HH2 ARG 31 4.385 5.577 0.666 13 2HH1 ARG 31 2HH2 ARG 31 3.819 6.793 1.755 14 1HH2 ARG 31 1HH1 ARG 31 1.293 4.849 3.098 15 2HH2 ARG 31 2HH1 ARG 31 2.086 6.389 3.118 16 H SER 32 H SER 32 6.771 0.324 2.151 17 HA SER 32 HA SER 32 8.620 -0.721 1.214 18 1HB SER 32 2HB SER 32 6.583 -2.115 -0.525 19 2HB SER 32 1HB SER 32 8.275 -2.564 -0.374 20 HG SER 32 HG SER 32 6.282 -2.543 1.650 21 H ASP 33 H ASP 33 6.293 0.345 -1.345 22 HA ASP 33 HA ASP 33 8.436 0.860 -3.209 23 1HB ASP 33 2HB ASP 33 6.643 1.993 -4.544 24 2HB ASP 33 1HB ASP 33 6.261 0.332 -4.091 25 H ALA 34 H ALA 34 7.721 2.509 -0.425 26 HA ALA 34 HA ALA 34 8.059 5.195 -1.553 27 1HB ALA 34 1HB ALA 34 8.116 5.712 1.034 28 2HB ALA 34 2HB ALA 34 7.444 4.086 1.156 29 3HB ALA 34 3HB ALA 34 6.590 5.326 0.238 30 H GLU 35 H GLU 35 10.147 2.709 -0.954 31 HA GLU 35 HA GLU 35 12.235 4.181 0.452 32 1HB GLU 35 2HB GLU 35 12.490 1.570 -1.068 33 2HB GLU 35 1HB GLU 35 13.597 2.205 0.141 34 1HG GLU 35 2HG GLU 35 10.794 1.997 1.052 35 2HG GLU 35 1HG GLU 35 11.557 0.453 0.679 36 HA PRO 36 HA PRO 36 14.115 4.480 -3.954 37 1HB PRO 36 2HB PRO 36 12.580 3.760 -6.095 38 2HB PRO 36 1HB PRO 36 13.607 2.620 -5.215 39 1HG PRO 36 2HG PRO 36 10.676 2.867 -5.239 40 2HG PRO 36 1HG PRO 36 11.689 1.473 -4.841 41 1HD PRO 36 2HD PRO 36 10.367 3.218 -3.019 42 2HD PRO 36 1HD PRO 36 11.479 1.907 -2.627 43 H HIS 37 H HIS 37 10.588 4.993 -4.066 44 HA HIS 37 HA HIS 37 9.344 6.947 -4.335 45 1HB HIS 37 2HB HIS 37 11.565 7.981 -3.249 46 2HB HIS 37 1HB HIS 37 11.717 8.676 -4.863 47 HD1 HIS 37 HD1 HIS 37 9.157 8.425 -2.052 48 HD2 HIS 37 HD2 HIS 37 10.089 10.884 -5.287 49 HE1 HIS 37 HE1 HIS 37 7.598 10.415 -1.912 50 H TYR 38 H TYR 38 11.288 5.534 -6.635 51 HA TYR 38 HA TYR 38 10.108 7.247 -8.775 52 1HB TYR 38 2HB TYR 38 12.042 6.298 -10.201 53 2HB TYR 38 1HB TYR 38 12.440 7.550 -9.030 54 HD1 TYR 38 HD1 TYR 38 13.764 7.063 -7.063 55 HD2 TYR 38 HD2 TYR 38 12.629 3.932 -9.774 56 HE1 TYR 38 HE1 TYR 38 15.395 5.538 -5.984 57 HE2 TYR 38 HE2 TYR 38 14.259 2.406 -8.693 58 HH TYR 38 HH TYR 38 16.650 3.047 -7.182 59 H LEU 39 H LEU 39 10.828 3.981 -7.656 60 HA LEU 39 HA LEU 39 10.032 2.444 -9.854 61 1HB LEU 39 2HB LEU 39 10.518 2.019 -7.086 62 2HB LEU 39 1HB LEU 39 8.966 1.268 -7.444 63 HG LEU 39 HG LEU 39 10.755 -0.355 -7.822 64 1HD1 LEU 39 1HD1 LEU 39 8.789 0.262 -9.657 65 2HD1 LEU 39 2HD1 LEU 39 9.812 -1.173 -9.720 66 3HD1 LEU 39 3HD1 LEU 39 10.240 0.256 -10.659 67 1HD2 LEU 39 1HD2 LEU 39 12.711 0.106 -8.927 68 2HD2 LEU 39 2HD2 LEU 39 12.313 1.758 -8.458 69 3HD2 LEU 39 3HD2 LEU 39 11.925 1.186 -10.079 70 HA PRO 40 HA PRO 40 5.435 2.741 -8.431 71 1HB PRO 40 2HB PRO 40 4.790 4.623 -6.553 72 2HB PRO 40 1HB PRO 40 5.215 2.950 -6.165 73 1HG PRO 40 2HG PRO 40 6.827 5.424 -5.872 74 2HG PRO 40 1HG PRO 40 6.845 3.940 -4.913 75 1HD PRO 40 2HD PRO 40 8.727 4.625 -6.846 76 2HD PRO 40 1HD PRO 40 8.461 2.985 -6.215 77 H GLN 41 H GLN 41 7.455 5.510 -8.908 78 HA GLN 41 HA GLN 41 5.354 7.295 -9.865 79 1HB GLN 41 2HB GLN 41 7.456 8.195 -8.937 80 2HB GLN 41 1HB GLN 41 8.375 7.372 -10.195 81 1HG GLN 41 2HG GLN 41 8.080 9.713 -10.816 82 2HG GLN 41 1HG GLN 41 7.142 8.697 -11.913 83 1HE2 GLN 41 1HE2 GLN 41 5.389 10.108 -12.377 84 2HE2 GLN 41 2HE2 GLN 41 4.344 10.726 -11.190 85 H LEU 42 H LEU 42 7.582 4.935 -11.224 86 HA LEU 42 HA LEU 42 7.042 5.636 -13.975 87 1HB LEU 42 2HB LEU 42 8.284 3.166 -12.741 88 2HB LEU 42 1HB LEU 42 8.225 3.490 -14.457 89 HG LEU 42 HG LEU 42 10.112 4.704 -14.345 90 1HD1 LEU 42 1HD1 LEU 42 9.133 6.291 -11.963 91 2HD1 LEU 42 2HD1 LEU 42 8.684 6.675 -13.623 92 3HD1 LEU 42 3HD1 LEU 42 10.372 6.748 -13.127 93 1HD2 LEU 42 1HD2 LEU 42 11.200 4.810 -11.927 94 2HD2 LEU 42 2HD2 LEU 42 11.097 3.290 -12.814 95 3HD2 LEU 42 3HD2 LEU 42 9.919 3.658 -11.556 96 H ARG 43 H ARG 43 5.944 3.076 -11.742 97 HA ARG 43 HA ARG 43 4.367 1.656 -13.641 98 1HB ARG 43 2HB ARG 43 3.288 0.619 -11.743 99 2HB ARG 43 1HB ARG 43 4.983 0.822 -11.354 100 1HG ARG 43 2HG ARG 43 4.425 2.896 -10.108 101 2HG ARG 43 1HG ARG 43 2.719 2.603 -10.431 102 1HD ARG 43 2HD ARG 43 2.993 0.342 -9.329 103 2HD ARG 43 1HD ARG 43 4.602 0.861 -8.825 104 HE ARG 43 HE ARG 43 3.581 2.167 -7.162 105 1HH1 ARG 43 1HH2 ARG 43 1.264 1.436 -9.677 106 2HH1 ARG 43 2HH2 ARG 43 -0.045 2.175 -8.824 107 1HH2 ARG 43 2HH1 ARG 43 1.858 3.111 -6.093 108 2HH2 ARG 43 1HH1 ARG 43 0.284 3.114 -6.817 109 H LYS 44 H LYS 44 3.536 4.362 -11.452 110 HA LYS 44 HA LYS 44 0.805 4.471 -12.256 111 1HB LYS 44 2HB LYS 44 0.752 6.658 -11.204 112 2HB LYS 44 1HB LYS 44 1.716 5.585 -10.202 113 1HG LYS 44 2HG LYS 44 3.769 6.525 -11.106 114 2HG LYS 44 1HG LYS 44 2.861 7.519 -12.238 115 1HD LYS 44 2HD LYS 44 3.481 8.915 -10.360 116 2HD LYS 44 1HD LYS 44 1.746 8.619 -10.270 117 1HE LYS 44 2HE LYS 44 2.874 6.483 -8.857 118 2HE LYS 44 1HE LYS 44 3.840 7.880 -8.384 119 1HZ LYS 44 1HZ LYS 44 1.713 9.065 -7.973 120 2HZ LYS 44 2HZ LYS 44 1.984 7.750 -6.934 121 3HZ LYS 44 3HZ LYS 44 0.892 7.603 -8.228 122 H ASP 45 H ASP 45 3.794 5.752 -13.598 123 HA ASP 45 HA ASP 45 2.627 7.582 -15.452 124 1HB ASP 45 2HB ASP 45 5.228 6.052 -15.453 125 2HB ASP 45 1HB ASP 45 4.796 7.174 -16.733 126 H ILE 46 H ILE 46 3.606 4.141 -15.791 127 HA ILE 46 HA ILE 46 2.785 3.857 -18.501 128 HB ILE 46 HB ILE 46 4.165 2.199 -17.171 129 1HG1 ILE 46 2HG1 ILE 46 1.764 1.067 -18.638 130 2HG1 ILE 46 1HG1 ILE 46 3.188 1.752 -19.420 131 1HG2 ILE 46 1HG2 ILE 46 1.579 1.844 -15.780 132 2HG2 ILE 46 2HG2 ILE 46 3.214 1.514 -15.234 133 3HG2 ILE 46 3HG2 ILE 46 2.379 0.353 -16.258 134 1HD1 ILE 46 1HD1 ILE 46 2.928 -0.889 -18.830 135 2HD1 ILE 46 2HD1 ILE 46 3.738 -0.318 -17.373 136 3HD1 ILE 46 3HD1 ILE 46 4.483 -0.067 -18.950 137 H LEU 47 H LEU 47 0.923 3.911 -15.527 138 HA LEU 47 HA LEU 47 -1.509 2.821 -16.604 139 1HB LEU 47 2HB LEU 47 -0.846 4.565 -14.238 140 2HB LEU 47 1HB LEU 47 -2.520 4.250 -14.673 141 HG LEU 47 HG LEU 47 -0.677 1.912 -14.508 142 1HD1 LEU 47 1HD1 LEU 47 -1.565 1.942 -11.973 143 2HD1 LEU 47 2HD1 LEU 47 -1.437 3.681 -12.236 144 3HD1 LEU 47 3HD1 LEU 47 -0.018 2.653 -12.433 145 1HD2 LEU 47 1HD2 LEU 47 -2.916 1.430 -15.153 146 2HD2 LEU 47 2HD2 LEU 47 -3.581 2.519 -13.936 147 3HD2 LEU 47 3HD2 LEU 47 -2.836 0.999 -13.446 148 H GLU 48 H GLU 48 -0.330 6.150 -16.132 149 HA GLU 48 HA GLU 48 -2.569 7.414 -17.423 150 1HB GLU 48 2HB GLU 48 0.240 8.532 -17.329 151 2HB GLU 48 1HB GLU 48 -1.275 9.426 -17.412 152 1HG GLU 48 2HG GLU 48 -0.374 7.733 -15.073 153 2HG GLU 48 1HG GLU 48 -0.306 9.483 -15.155 154 H VAL 49 H VAL 49 0.574 6.216 -18.471 155 HA VAL 49 HA VAL 49 0.530 7.238 -21.108 156 HB VAL 49 HB VAL 49 1.727 4.620 -20.135 157 1HG1 VAL 49 1HG1 VAL 49 1.435 5.049 -22.680 158 2HG1 VAL 49 2HG1 VAL 49 3.038 4.599 -22.099 159 3HG1 VAL 49 3HG1 VAL 49 2.674 6.285 -22.468 160 1HG2 VAL 49 1HG2 VAL 49 3.475 6.947 -20.616 161 2HG2 VAL 49 2HG2 VAL 49 3.456 5.816 -19.264 162 3HG2 VAL 49 3HG2 VAL 49 2.338 7.178 -19.289 163 H ILE 50 H ILE 50 -0.486 3.980 -19.954 164 HA ILE 50 HA ILE 50 -1.665 3.134 -22.407 165 HB ILE 50 HB ILE 50 -2.584 2.416 -19.606 166 1HG1 ILE 50 2HG1 ILE 50 -0.762 0.687 -21.219 167 2HG1 ILE 50 1HG1 ILE 50 -0.057 2.103 -20.441 168 1HG2 ILE 50 1HG2 ILE 50 -3.068 1.305 -22.353 169 2HG2 ILE 50 2HG2 ILE 50 -4.211 1.542 -21.031 170 3HG2 ILE 50 3HG2 ILE 50 -3.053 0.214 -20.969 171 1HD1 ILE 50 1HD1 ILE 50 -1.709 -0.011 -19.027 172 2HD1 ILE 50 2HD1 ILE 50 -0.931 1.378 -18.268 173 3HD1 ILE 50 3HD1 ILE 50 0.050 0.098 -18.980 174 H CYS 51 H CYS 51 -2.736 5.445 -20.041 175 HA CYS 51 HA CYS 51 -5.518 5.433 -20.834 176 1HB CYS 51 2HB CYS 51 -4.508 6.299 -18.613 177 2HB CYS 51 1HB CYS 51 -4.079 7.744 -19.529 178 HG CYS 51 HG CYS 51 -6.496 8.049 -18.489 179 H LYS 52 H LYS 52 -2.691 7.476 -21.560 180 HA LYS 52 HA LYS 52 -3.975 9.357 -23.253 181 1HB LYS 52 2HB LYS 52 -1.168 8.267 -23.596 182 2HB LYS 52 1HB LYS 52 -1.778 9.797 -24.215 183 1HG LYS 52 2HG LYS 52 -1.785 10.795 -22.121 184 2HG LYS 52 1HG LYS 52 -1.952 9.260 -21.270 185 1HD LYS 52 2HD LYS 52 0.285 9.564 -20.873 186 2HD LYS 52 1HD LYS 52 0.438 8.849 -22.478 187 1HE LYS 52 2HE LYS 52 1.747 10.830 -22.566 188 2HE LYS 52 1HE LYS 52 0.241 11.242 -23.387 189 1HZ LYS 52 1HZ LYS 52 0.777 12.978 -21.861 190 2HZ LYS 52 2HZ LYS 52 0.978 11.878 -20.582 191 3HZ LYS 52 3HZ LYS 52 -0.564 12.143 -21.245 192 H TYR 53 H TYR 53 -2.863 6.084 -23.882 193 HA TYR 53 HA TYR 53 -3.567 6.349 -26.752 194 1HB TYR 53 2HB TYR 53 -2.150 4.141 -25.226 195 2HB TYR 53 1HB TYR 53 -2.441 4.150 -26.954 196 HD1 TYR 53 HD1 TYR 53 -0.665 4.820 -28.302 197 HD2 TYR 53 HD2 TYR 53 -1.001 6.461 -24.357 198 HE1 TYR 53 HE1 TYR 53 1.459 6.061 -28.625 199 HE2 TYR 53 HE2 TYR 53 1.105 7.701 -24.674 200 HH TYR 53 HH TYR 53 3.314 7.113 -26.500 201 H VAL 54 H VAL 54 -4.809 5.093 -23.767 202 HA VAL 54 HA VAL 54 -7.100 3.908 -25.205 203 HB VAL 54 HB VAL 54 -5.806 2.170 -23.103 204 1HG1 VAL 54 1HG1 VAL 54 -7.205 1.235 -25.584 205 2HG1 VAL 54 2HG1 VAL 54 -8.164 1.943 -24.285 206 3HG1 VAL 54 3HG1 VAL 54 -7.179 0.514 -23.975 207 1HG2 VAL 54 1HG2 VAL 54 -4.591 0.935 -24.856 208 2HG2 VAL 54 2HG2 VAL 54 -4.022 2.603 -24.782 209 3HG2 VAL 54 3HG2 VAL 54 -5.124 2.104 -26.066 210 H GLN 55 H GLN 55 -7.650 2.540 -22.360 211 HA GLN 55 HA GLN 55 -7.857 4.747 -20.529 212 1HB GLN 55 2HB GLN 55 -9.927 4.495 -22.528 213 2HB GLN 55 1HB GLN 55 -10.607 4.222 -20.925 214 1HG GLN 55 2HG GLN 55 -9.735 6.335 -20.127 215 2HG GLN 55 1HG GLN 55 -8.854 6.589 -21.634 216 1HE2 GLN 55 1HE2 GLN 55 -10.397 6.517 -23.678 217 2HE2 GLN 55 2HE2 GLN 55 -11.882 7.320 -23.506 218 H ILE 56 H ILE 56 -7.404 3.531 -18.789 219 HA ILE 56 HA ILE 56 -9.242 1.293 -18.107 220 HB ILE 56 HB ILE 56 -7.122 0.110 -17.174 221 1HG1 ILE 56 2HG1 ILE 56 -5.618 1.252 -19.453 222 2HG1 ILE 56 1HG1 ILE 56 -5.859 2.363 -18.105 223 1HG2 ILE 56 1HG2 ILE 56 -7.071 0.033 -20.142 224 2HG2 ILE 56 2HG2 ILE 56 -8.628 -0.273 -19.375 225 3HG2 ILE 56 3HG2 ILE 56 -7.237 -1.284 -18.981 226 1HD1 ILE 56 1HD1 ILE 56 -4.806 -0.459 -17.769 227 2HD1 ILE 56 2HD1 ILE 56 -4.841 0.819 -16.556 228 3HD1 ILE 56 3HD1 ILE 56 -3.762 0.952 -17.943 229 H ASP 57 H ASP 57 -8.929 0.691 -15.735 230 HA ASP 57 HA ASP 57 -8.489 3.193 -14.181 231 1HB ASP 57 2HB ASP 57 -10.131 0.713 -13.767 232 2HB ASP 57 1HB ASP 57 -9.615 1.642 -12.359 233 HA PRO 58 HA PRO 58 -4.905 1.494 -12.209 234 1HB PRO 58 2HB PRO 58 -5.145 2.414 -9.645 235 2HB PRO 58 1HB PRO 58 -4.702 3.448 -11.013 236 1HG PRO 58 2HG PRO 58 -7.293 3.228 -9.573 237 2HG PRO 58 1HG PRO 58 -6.552 4.631 -10.356 238 1HD PRO 58 2HD PRO 58 -8.615 3.099 -11.441 239 2HD PRO 58 1HD PRO 58 -7.543 4.172 -12.368 240 H GLU 59 H GLU 59 -8.013 0.900 -10.677 241 HA GLU 59 HA GLU 59 -7.133 -1.235 -8.942 242 1HB GLU 59 2HB GLU 59 -9.802 -0.376 -10.051 243 2HB GLU 59 1HB GLU 59 -9.649 -1.875 -9.134 244 1HG GLU 59 2HG GLU 59 -10.026 -0.492 -7.352 245 2HG GLU 59 1HG GLU 59 -8.294 -0.194 -7.497 246 H MET 60 H MET 60 -7.476 -0.999 -12.357 247 HA MET 60 HA MET 60 -8.006 -3.872 -12.745 248 1HB MET 60 2HB MET 60 -7.655 -1.483 -14.557 249 2HB MET 60 1HB MET 60 -7.588 -3.117 -15.208 250 1HG MET 60 2HG MET 60 -9.862 -2.666 -13.388 251 2HG MET 60 1HG MET 60 -9.902 -1.658 -14.832 252 1HE MET 60 1HE MET 60 -9.984 -3.945 -17.771 253 2HE MET 60 2HE MET 60 -9.112 -2.585 -17.065 254 3HE MET 60 3HE MET 60 -10.873 -2.557 -17.128 255 H VAL 61 H VAL 61 -5.314 -1.650 -12.595 256 HA VAL 61 HA VAL 61 -3.477 -3.628 -13.807 257 HB VAL 61 HB VAL 61 -2.910 -0.851 -12.728 258 1HG1 VAL 61 1HG1 VAL 61 -0.790 -1.025 -13.764 259 2HG1 VAL 61 2HG1 VAL 61 -1.276 -2.428 -14.716 260 3HG1 VAL 61 3HG1 VAL 61 -1.012 -2.589 -12.980 261 1HG2 VAL 61 1HG2 VAL 61 -2.714 -0.545 -15.372 262 2HG2 VAL 61 2HG2 VAL 61 -4.261 -0.366 -14.544 263 3HG2 VAL 61 3HG2 VAL 61 -3.871 -1.875 -15.369 264 H THR 62 H THR 62 -2.241 -4.960 -12.545 265 HA THR 62 HA THR 62 -2.310 -4.551 -9.618 266 HB THR 62 HB THR 62 -1.208 -6.994 -10.987 267 HG1 THR 62 HG1 THR 62 -3.204 -7.758 -11.261 268 1HG2 THR 62 1HG2 THR 62 -2.201 -8.025 -8.883 269 2HG2 THR 62 2HG2 THR 62 -2.484 -6.379 -8.316 270 3HG2 THR 62 3HG2 THR 62 -0.839 -6.934 -8.627 271 H VAL 63 H VAL 63 -0.274 -4.907 -8.406 272 HA VAL 63 HA VAL 63 2.211 -4.541 -9.994 273 HB VAL 63 HB VAL 63 1.461 -2.778 -7.647 274 1HG1 VAL 63 1HG1 VAL 63 3.738 -2.578 -9.642 275 2HG1 VAL 63 2HG1 VAL 63 3.901 -3.246 -8.017 276 3HG1 VAL 63 3HG1 VAL 63 3.478 -1.547 -8.234 277 1HG2 VAL 63 1HG2 VAL 63 1.217 -2.433 -10.618 278 2HG2 VAL 63 2HG2 VAL 63 1.562 -1.030 -9.607 279 3HG2 VAL 63 3HG2 VAL 63 0.089 -1.962 -9.347 280 H GLN 64 H GLN 64 3.381 -6.279 -9.320 281 HA GLN 64 HA GLN 64 3.464 -6.814 -6.384 282 1HB GLN 64 2HB GLN 64 3.897 -9.216 -7.003 283 2HB GLN 64 1HB GLN 64 2.291 -8.646 -7.456 284 1HG GLN 64 2HG GLN 64 4.372 -8.230 -9.516 285 2HG GLN 64 1HG GLN 64 4.008 -9.916 -9.172 286 1HE2 GLN 64 1HE2 GLN 64 2.473 -10.651 -10.638 287 2HE2 GLN 64 2HE2 GLN 64 1.124 -9.766 -11.167 288 H LEU 65 H LEU 65 5.515 -6.969 -5.484 289 HA LEU 65 HA LEU 65 7.787 -6.633 -7.373 290 1HB LEU 65 2HB LEU 65 8.956 -5.653 -5.395 291 2HB LEU 65 1HB LEU 65 7.554 -4.726 -5.909 292 HG LEU 65 HG LEU 65 6.972 -6.843 -3.928 293 1HD1 LEU 65 1HD1 LEU 65 8.306 -4.363 -2.879 294 2HD1 LEU 65 2HD1 LEU 65 9.290 -5.752 -3.343 295 3HD1 LEU 65 3HD1 LEU 65 8.065 -5.919 -2.084 296 1HD2 LEU 65 1HD2 LEU 65 5.573 -4.807 -4.912 297 2HD2 LEU 65 2HD2 LEU 65 6.367 -3.927 -3.605 298 3HD2 LEU 65 3HD2 LEU 65 5.358 -5.327 -3.241 299 H GLU 66 H GLU 66 9.566 -7.959 -7.178 300 HA GLU 66 HA GLU 66 9.544 -10.025 -5.033 301 1HB GLU 66 2HB GLU 66 9.712 -10.466 -8.017 302 2HB GLU 66 1HB GLU 66 10.363 -11.644 -6.883 303 1HG GLU 66 2HG GLU 66 7.502 -10.644 -6.973 304 2HG GLU 66 1HG GLU 66 8.057 -12.214 -7.544 305 H GLN 67 H GLN 67 11.793 -11.215 -5.147 306 HA GLN 67 HA GLN 67 13.962 -9.472 -6.152 307 1HB GLN 67 2HB GLN 67 13.777 -10.212 -3.215 308 2HB GLN 67 1HB GLN 67 15.025 -9.227 -3.980 309 1HG GLN 67 2HG GLN 67 13.245 -7.589 -4.646 310 2HG GLN 67 1HG GLN 67 12.084 -8.538 -3.715 311 1HE2 GLN 67 1HE2 GLN 67 11.711 -6.975 -2.044 312 2HE2 GLN 67 2HE2 GLN 67 12.922 -6.485 -0.959 313 H LYS 68 H LYS 68 15.944 -10.602 -6.379 314 HA LYS 68 HA LYS 68 15.688 -13.556 -6.119 315 1HB LYS 68 2HB LYS 68 17.485 -11.797 -7.791 316 2HB LYS 68 1HB LYS 68 17.734 -13.534 -7.638 317 1HG LYS 68 2HG LYS 68 16.020 -14.011 -9.038 318 2HG LYS 68 1HG LYS 68 14.949 -12.850 -8.255 319 1HD LYS 68 2HD LYS 68 15.342 -12.178 -10.576 320 2HD LYS 68 1HD LYS 68 16.086 -11.010 -9.485 321 1HE LYS 68 2HE LYS 68 17.730 -11.444 -11.153 322 2HE LYS 68 1HE LYS 68 18.240 -12.373 -9.743 323 1HZ LYS 68 1HZ LYS 68 17.080 -14.307 -10.716 324 2HZ LYS 68 2HZ LYS 68 18.375 -13.757 -11.668 325 3HZ LYS 68 3HZ LYS 68 16.776 -13.395 -12.113 326 H ASP 69 H ASP 69 17.845 -14.674 -5.587 327 HA ASP 69 HA ASP 69 18.803 -13.656 -3.060 328 1HB ASP 69 2HB ASP 69 18.547 -16.128 -3.911 329 2HB ASP 69 1HB ASP 69 20.174 -15.873 -4.543 330 H GLY 70 H GLY 70 19.696 -12.905 -6.239 331 1HA GLY 70 2HA GLY 70 22.547 -12.455 -5.551 332 2HA GLY 70 1HA GLY 70 21.844 -12.313 -7.161 333 H ASP 71 H ASP 71 20.387 -10.859 -4.311 334 HA ASP 71 HA ASP 71 19.948 -8.624 -3.779 335 1HB ASP 71 2HB ASP 71 22.688 -8.466 -5.026 336 2HB ASP 71 1HB ASP 71 21.846 -7.001 -4.522 337 H ILE 72 H ILE 72 18.601 -9.571 -5.966 338 HA ILE 72 HA ILE 72 18.600 -7.212 -7.802 339 HB ILE 72 HB ILE 72 17.840 -10.037 -8.579 340 1HG1 ILE 72 2HG1 ILE 72 20.485 -8.566 -8.787 341 2HG1 ILE 72 1HG1 ILE 72 20.181 -10.119 -8.026 342 1HG2 ILE 72 1HG2 ILE 72 16.882 -8.140 -9.890 343 2HG2 ILE 72 2HG2 ILE 72 17.972 -9.141 -10.848 344 3HG2 ILE 72 3HG2 ILE 72 18.522 -7.584 -10.228 345 1HD1 ILE 72 1HD1 ILE 72 19.897 -9.587 -11.001 346 2HD1 ILE 72 2HD1 ILE 72 19.720 -11.145 -10.195 347 3HD1 ILE 72 3HD1 ILE 72 21.293 -10.353 -10.244 348 H SER 73 H SER 73 16.458 -6.647 -8.631 349 HA SER 73 HA SER 73 14.265 -7.596 -6.832 350 1HB SER 73 2HB SER 73 14.870 -4.903 -8.028 351 2HB SER 73 1HB SER 73 13.225 -5.318 -7.552 352 HG SER 73 HG SER 73 13.802 -5.033 -5.558 353 H ILE 74 H ILE 74 12.068 -7.427 -7.875 354 HA ILE 74 HA ILE 74 12.038 -7.669 -10.821 355 HB ILE 74 HB ILE 74 11.254 -9.901 -8.923 356 1HG1 ILE 74 2HG1 ILE 74 13.315 -9.702 -11.134 357 2HG1 ILE 74 1HG1 ILE 74 13.635 -9.842 -9.412 358 1HG2 ILE 74 1HG2 ILE 74 10.850 -9.723 -11.927 359 2HG2 ILE 74 2HG2 ILE 74 9.568 -9.654 -10.717 360 3HG2 ILE 74 3HG2 ILE 74 10.505 -11.134 -10.926 361 1HD1 ILE 74 1HD1 ILE 74 11.914 -12.002 -10.143 362 2HD1 ILE 74 2HD1 ILE 74 13.582 -12.080 -9.575 363 3HD1 ILE 74 3HD1 ILE 74 13.244 -11.951 -11.301 364 H LEU 75 H LEU 75 10.676 -5.779 -10.696 365 HA LEU 75 HA LEU 75 8.178 -5.979 -9.163 366 1HB LEU 75 2HB LEU 75 9.547 -3.852 -9.271 367 2HB LEU 75 1HB LEU 75 9.064 -3.720 -10.960 368 HG LEU 75 HG LEU 75 6.873 -4.207 -9.018 369 1HD1 LEU 75 1HD1 LEU 75 6.947 -2.199 -7.919 370 2HD1 LEU 75 2HD1 LEU 75 7.705 -1.366 -9.275 371 3HD1 LEU 75 3HD1 LEU 75 8.680 -2.368 -8.200 372 1HD2 LEU 75 1HD2 LEU 75 5.832 -2.429 -10.512 373 2HD2 LEU 75 2HD2 LEU 75 6.316 -3.910 -11.338 374 3HD2 LEU 75 3HD2 LEU 75 7.321 -2.466 -11.457 375 H GLU 76 H GLU 76 6.648 -7.209 -10.131 376 HA GLU 76 HA GLU 76 6.284 -7.006 -13.085 377 1HB GLU 76 2HB GLU 76 4.943 -8.997 -11.247 378 2HB GLU 76 1HB GLU 76 5.153 -9.102 -12.992 379 1HG GLU 76 2HG GLU 76 7.512 -9.474 -12.774 380 2HG GLU 76 1HG GLU 76 7.483 -9.065 -11.059 381 H LEU 77 H LEU 77 4.557 -5.841 -13.830 382 HA LEU 77 HA LEU 77 2.351 -5.296 -11.887 383 1HB LEU 77 2HB LEU 77 1.967 -3.168 -13.167 384 2HB LEU 77 1HB LEU 77 3.514 -3.221 -12.327 385 HG LEU 77 HG LEU 77 3.442 -4.209 -15.141 386 1HD1 LEU 77 1HD1 LEU 77 2.108 -2.064 -15.084 387 2HD1 LEU 77 2HD1 LEU 77 3.568 -1.990 -16.069 388 3HD1 LEU 77 3HD1 LEU 77 3.551 -1.262 -14.463 389 1HD2 LEU 77 1HD2 LEU 77 5.360 -3.095 -13.174 390 2HD2 LEU 77 2HD2 LEU 77 5.611 -2.578 -14.840 391 3HD2 LEU 77 3HD2 LEU 77 5.622 -4.293 -14.439 392 H ASN 78 H ASN 78 0.386 -6.001 -12.493 393 HA ASN 78 HA ASN 78 0.071 -7.244 -15.145 394 1HB ASN 78 2HB ASN 78 -1.893 -7.055 -12.855 395 2HB ASN 78 1HB ASN 78 -1.971 -8.150 -14.225 396 1HD2 ASN 78 1HD2 ASN 78 -1.197 -10.208 -13.771 397 2HD2 ASN 78 2HD2 ASN 78 0.008 -10.568 -12.635 398 H VAL 79 H VAL 79 -1.390 -6.480 -16.691 399 HA VAL 79 HA VAL 79 -2.745 -3.894 -16.045 400 HB VAL 79 HB VAL 79 -1.583 -4.644 -18.739 401 1HG1 VAL 79 1HG1 VAL 79 -1.777 -1.995 -18.784 402 2HG1 VAL 79 2HG1 VAL 79 -3.009 -2.292 -17.558 403 3HG1 VAL 79 3HG1 VAL 79 -3.170 -3.008 -19.162 404 1HG2 VAL 79 1HG2 VAL 79 0.244 -3.087 -18.196 405 2HG2 VAL 79 2HG2 VAL 79 0.195 -4.394 -17.011 406 3HG2 VAL 79 3HG2 VAL 79 -0.452 -2.806 -16.599 407 H THR 80 H THR 80 -4.664 -5.126 -15.583 408 HA THR 80 HA THR 80 -5.833 -6.891 -17.569 409 HB THR 80 HB THR 80 -7.169 -5.529 -15.212 410 HG1 THR 80 HG1 THR 80 -5.957 -8.084 -15.384 411 1HG2 THR 80 1HG2 THR 80 -7.940 -7.660 -17.149 412 2HG2 THR 80 2HG2 THR 80 -8.944 -6.444 -16.358 413 3HG2 THR 80 3HG2 THR 80 -8.428 -7.876 -15.468 414 H LEU 81 H LEU 81 -6.319 -5.915 -19.511 415 HA LEU 81 HA LEU 81 -7.573 -3.247 -19.559 416 1HB LEU 81 2HB LEU 81 -6.676 -5.185 -21.710 417 2HB LEU 81 1HB LEU 81 -7.493 -3.668 -22.065 418 HG LEU 81 HG LEU 81 -5.110 -3.618 -20.254 419 1HD1 LEU 81 1HD1 LEU 81 -4.201 -4.906 -22.043 420 2HD1 LEU 81 2HD1 LEU 81 -3.731 -3.240 -22.381 421 3HD1 LEU 81 3HD1 LEU 81 -5.075 -3.972 -23.257 422 1HD2 LEU 81 1HD2 LEU 81 -5.099 -1.379 -20.771 423 2HD2 LEU 81 2HD2 LEU 81 -6.795 -1.694 -21.145 424 3HD2 LEU 81 3HD2 LEU 81 -5.598 -1.656 -22.440 425 HA PRO 82 HA PRO 82 -11.626 -5.173 -19.788 426 1HB PRO 82 2HB PRO 82 -13.071 -2.900 -20.228 427 2HB PRO 82 1HB PRO 82 -12.390 -3.328 -18.653 428 1HG PRO 82 2HG PRO 82 -11.556 -1.233 -20.542 429 2HG PRO 82 1HG PRO 82 -11.275 -1.357 -18.800 430 1HD PRO 82 2HD PRO 82 -9.421 -1.941 -20.898 431 2HD PRO 82 1HD PRO 82 -9.189 -2.175 -19.152 432 H GLU 83 H GLU 83 -13.660 -4.871 -21.350 433 HA GLU 83 HA GLU 83 -12.879 -5.662 -23.965 434 1HB GLU 83 2HB GLU 83 -15.383 -5.100 -22.541 435 2HB GLU 83 1HB GLU 83 -15.472 -4.712 -24.258 436 1HG GLU 83 2HG GLU 83 -14.596 -6.979 -24.788 437 2HG GLU 83 1HG GLU 83 -14.613 -7.362 -23.067 438 H ALA 84 H ALA 84 -14.281 -4.266 -25.819 439 HA ALA 84 HA ALA 84 -14.103 -1.430 -25.702 440 1HB ALA 84 1HB ALA 84 -11.760 -2.799 -27.061 441 2HB ALA 84 2HB ALA 84 -11.674 -1.826 -25.592 442 3HB ALA 84 3HB ALA 84 -12.106 -1.071 -27.126 443 H GLU 85 H GLU 85 -16.177 -2.101 -26.709 444 HA GLU 85 HA GLU 85 -16.341 -3.431 -29.221 445 1HB GLU 85 2HB GLU 85 -18.182 -2.585 -27.447 446 2HB GLU 85 1HB GLU 85 -18.312 -1.282 -28.629 447 1HG GLU 85 2HG GLU 85 -18.489 -3.096 -30.415 448 2HG GLU 85 1HG GLU 85 -18.696 -4.245 -29.092 449 H GLU 86 H GLU 86 -16.242 -2.665 -31.327 450 HA GLU 86 HA GLU 86 -15.649 -1.240 -33.091 451 1HB GLU 86 2HB GLU 86 -17.628 0.040 -31.842 452 2HB GLU 86 1HB GLU 86 -16.331 1.175 -31.464 453 1HG GLU 86 2HG GLU 86 -16.016 1.771 -33.672 454 2HG GLU 86 1HG GLU 86 -16.546 0.202 -34.280 455 H LEU 87 H LEU 87 -13.600 -1.997 -31.260 456 HA LEU 87 HA LEU 87 -11.796 0.360 -31.546 457 1HB LEU 87 2HB LEU 87 -12.749 -0.260 -29.113 458 2HB LEU 87 1HB LEU 87 -11.409 -1.407 -29.175 459 HG LEU 87 HG LEU 87 -10.969 1.467 -29.950 460 1HD1 LEU 87 1HD1 LEU 87 -12.089 1.138 -27.605 461 2HD1 LEU 87 2HD1 LEU 87 -10.649 2.150 -27.730 462 3HD1 LEU 87 3HD1 LEU 87 -10.514 0.494 -27.139 463 1HD2 LEU 87 1HD2 LEU 87 -9.209 -0.185 -30.420 464 2HD2 LEU 87 2HD2 LEU 87 -9.230 -0.705 -28.735 465 3HD2 LEU 87 3HD2 LEU 87 -8.683 0.919 -29.150 466 H LYS 88 HN LYS 88 -10.416 -0.390 -33.097 467 HA LYS 88 HA LYS 88 -8.887 -2.851 -32.508 468 1HB LYS 88 2HB LYS 88 -9.218 -3.694 -34.835 469 2HB LYS 88 1HB LYS 88 -10.712 -3.688 -33.898 470 1HG LYS 88 2HG LYS 88 -10.876 -1.218 -34.952 471 2HG LYS 88 1HG LYS 88 -9.923 -1.993 -36.217 472 1HD LYS 88 2HD LYS 88 -12.183 -2.348 -36.856 473 2HD LYS 88 1HD LYS 88 -11.667 -3.879 -36.149 474 1HE LYS 88 2HE LYS 88 -12.567 -2.781 -33.914 475 2HE LYS 88 1HE LYS 88 -13.520 -1.807 -35.034 476 1HZ LYS 88 1HZ LYS 88 -13.474 -4.764 -34.813 477 2HZ LYS 88 2HZ LYS 88 -14.231 -3.929 -36.084 478 3HZ LYS 88 3HZ LYS 88 -14.777 -3.729 -34.488 479 1H ARG 31 1H ARG 31 4.555 -12.561 -32.285 480 2H ARG 31 2H ARG 31 4.577 -12.109 -33.923 481 3H ARG 31 3H ARG 31 3.099 -12.417 -33.144 482 HA ARG 31 HA ARG 31 4.874 -10.298 -32.134 483 1HB ARG 31 2HB ARG 31 4.540 -9.965 -34.604 484 2HB ARG 31 1HB ARG 31 2.802 -9.931 -34.315 485 1HG ARG 31 2HG ARG 31 3.560 -7.647 -34.348 486 2HG ARG 31 1HG ARG 31 3.208 -8.053 -32.667 487 1HD ARG 31 2HD ARG 31 5.385 -6.842 -32.958 488 2HD ARG 31 1HD ARG 31 5.567 -8.431 -32.212 489 HE ARG 31 HE ARG 31 6.763 -9.132 -34.116 490 1HH1 ARG 31 1HH2 ARG 31 4.997 -6.194 -34.816 491 2HH1 ARG 31 2HH2 ARG 31 5.732 -6.004 -36.369 492 1HH2 ARG 31 1HH1 ARG 31 7.687 -8.845 -36.134 493 2HH2 ARG 31 2HH1 ARG 31 7.239 -7.486 -37.109 494 H SER 32 H SER 32 1.455 -10.664 -33.095 495 HA SER 32 HA SER 32 -0.504 -10.539 -31.856 496 1HB SER 32 2HB SER 32 1.308 -11.038 -29.492 497 2HB SER 32 1HB SER 32 -0.447 -11.118 -29.469 498 HG SER 32 HG SER 32 1.358 -12.713 -30.974 499 H ASP 33 H ASP 33 2.170 -8.697 -30.255 500 HA ASP 33 HA ASP 33 0.319 -6.745 -29.204 501 1HB ASP 33 2HB ASP 33 2.400 -5.456 -28.668 502 2HB ASP 33 1HB ASP 33 2.389 -7.100 -28.031 503 H ALA 34 H ALA 34 1.172 -7.243 -32.368 504 HA ALA 34 HA ALA 34 1.490 -4.411 -33.059 505 1HB ALA 34 1HB ALA 34 1.363 -5.515 -35.452 506 2HB ALA 34 2HB ALA 34 1.666 -6.999 -34.549 507 3HB ALA 34 3HB ALA 34 2.824 -5.671 -34.478 508 H GLU 35 H GLU 35 -1.114 -6.261 -32.229 509 HA GLU 35 HA GLU 35 -2.935 -5.494 -34.372 510 1HB GLU 35 2HB GLU 35 -3.631 -6.587 -31.631 511 2HB GLU 35 1HB GLU 35 -4.660 -6.568 -33.056 512 1HG GLU 35 2HG GLU 35 -2.036 -7.859 -33.474 513 2HG GLU 35 1HG GLU 35 -3.081 -8.684 -32.320 514 HA PRO 36 HA PRO 36 -4.397 -2.276 -31.126 515 1HB PRO 36 2HB PRO 36 -2.904 -1.907 -28.869 516 2HB PRO 36 1HB PRO 36 -4.208 -3.097 -28.982 517 1HG PRO 36 2HG PRO 36 -1.297 -3.511 -28.902 518 2HG PRO 36 1HG PRO 36 -2.608 -4.619 -28.476 519 1HD PRO 36 2HD PRO 36 -1.076 -4.604 -30.877 520 2HD PRO 36 1HD PRO 36 -2.467 -5.624 -30.500 521 H HIS 37 H HIS 37 -0.843 -2.557 -31.091 522 HA HIS 37 HA HIS 37 0.803 -1.136 -31.934 523 1HB HIS 37 2HB HIS 37 -1.219 -0.495 -33.572 524 2HB HIS 37 1HB HIS 37 -1.106 1.028 -32.689 525 HD1 HIS 37 HD1 HIS 37 1.140 -1.361 -34.629 526 HD2 HIS 37 HD2 HIS 37 0.977 2.656 -33.531 527 HE1 HIS 37 HE1 HIS 37 3.072 -0.220 -35.803 528 H TYR 38 H TYR 38 -1.231 -0.476 -29.385 529 HA TYR 38 HA TYR 38 0.432 1.868 -28.583 530 1HB TYR 38 2HB TYR 38 -1.555 2.374 -27.010 531 2HB TYR 38 1HB TYR 38 -1.759 2.748 -28.719 532 HD1 TYR 38 HD1 TYR 38 -3.290 1.493 -30.110 533 HD2 TYR 38 HD2 TYR 38 -2.658 0.398 -26.006 534 HE1 TYR 38 HE1 TYR 38 -5.278 0.014 -30.200 535 HE2 TYR 38 HE2 TYR 38 -4.646 -1.082 -26.096 536 HH TYR 38 HH TYR 38 -6.947 -0.964 -27.859 537 H LEU 39 H LEU 39 -1.040 -1.188 -27.619 538 HA LEU 39 HA LEU 39 -0.437 -1.268 -24.888 539 1HB LEU 39 2HB LEU 39 -1.194 -3.121 -26.904 540 2HB LEU 39 1HB LEU 39 0.184 -3.827 -26.067 541 HG LEU 39 HG LEU 39 -1.877 -4.494 -24.933 542 1HD1 LEU 39 1HD1 LEU 39 0.299 -3.350 -23.678 543 2HD1 LEU 39 2HD1 LEU 39 -0.997 -4.218 -22.856 544 3HD1 LEU 39 3HD1 LEU 39 -1.047 -2.459 -22.969 545 1HD2 LEU 39 1HD2 LEU 39 -3.608 -3.071 -24.450 546 2HD2 LEU 39 2HD2 LEU 39 -2.903 -2.140 -25.770 547 3HD2 LEU 39 3HD2 LEU 39 -2.533 -1.716 -24.099 548 HA PRO 40 HA PRO 40 4.008 -2.845 -25.887 549 1HB PRO 40 2HB PRO 40 4.906 -2.614 -28.463 550 2HB PRO 40 1HB PRO 40 4.108 -4.059 -27.824 551 1HG PRO 40 2HG PRO 40 3.041 -1.957 -29.625 552 2HG PRO 40 1HG PRO 40 2.642 -3.675 -29.528 553 1HD PRO 40 2HD PRO 40 1.088 -1.606 -28.503 554 2HD PRO 40 1HD PRO 40 0.956 -3.313 -28.030 555 H GLN 41 H GLN 41 2.659 0.027 -27.270 556 HA GLN 41 HA GLN 41 5.153 1.537 -27.400 557 1HB GLN 41 2HB GLN 41 3.229 2.141 -28.824 558 2HB GLN 41 1HB GLN 41 2.246 2.431 -27.391 559 1HG GLN 41 2HG GLN 41 3.074 4.562 -28.243 560 2HG GLN 41 1HG GLN 41 3.849 4.215 -26.698 561 1HE2 GLN 41 1HE2 GLN 41 5.889 5.218 -27.029 562 2HE2 GLN 41 2HE2 GLN 41 6.956 4.783 -28.275 563 H LEU 42 H LEU 42 2.575 0.964 -25.074 564 HA LEU 42 HA LEU 42 3.443 3.012 -23.229 565 1HB LEU 42 2HB LEU 42 1.622 0.622 -22.861 566 2HB LEU 42 1HB LEU 42 1.868 1.869 -21.664 567 HG LEU 42 HG LEU 42 0.277 3.153 -22.598 568 1HD1 LEU 42 1HD1 LEU 42 1.401 2.786 -25.384 569 2HD1 LEU 42 2HD1 LEU 42 2.037 3.965 -24.238 570 3HD1 LEU 42 3HD1 LEU 42 0.373 4.089 -24.799 571 1HD2 LEU 42 1HD2 LEU 42 -0.929 2.046 -24.686 572 2HD2 LEU 42 2HD2 LEU 42 -1.090 1.358 -23.071 573 3HD2 LEU 42 3HD2 LEU 42 0.049 0.656 -24.218 574 H ARG 43 H ARG 43 3.815 -0.531 -23.450 575 HA ARG 43 HA ARG 43 5.183 -0.861 -20.974 576 1HB ARG 43 2HB ARG 43 5.882 -3.013 -21.821 577 2HB ARG 43 1HB ARG 43 4.245 -2.724 -22.372 578 1HG ARG 43 2HG ARG 43 5.142 -1.954 -24.556 579 2HG ARG 43 1HG ARG 43 6.767 -2.354 -24.004 580 1HD ARG 43 2HD ARG 43 5.943 -4.709 -23.585 581 2HD ARG 43 1HD ARG 43 4.449 -4.259 -24.408 582 HE ARG 43 HE ARG 43 5.604 -4.431 -26.446 583 1HH1 ARG 43 1HH2 ARG 43 7.885 -4.016 -23.826 584 2HH1 ARG 43 2HH2 ARG 43 9.258 -4.217 -24.856 585 1HH2 ARG 43 2HH1 ARG 43 7.410 -4.686 -27.741 586 2HH2 ARG 43 1HH1 ARG 43 8.996 -4.593 -27.049 587 H LYS 44 H LYS 44 6.414 -0.206 -24.271 588 HA LYS 44 HA LYS 44 9.155 -0.229 -23.496 589 1HB LYS 44 2HB LYS 44 9.597 0.850 -25.625 590 2HB LYS 44 1HB LYS 44 8.359 -0.371 -25.870 591 1HG LYS 44 2HG LYS 44 6.621 1.329 -25.836 592 2HG LYS 44 1HG LYS 44 7.795 2.578 -25.444 593 1HD LYS 44 2HD LYS 44 7.356 2.696 -27.820 594 2HD LYS 44 1HD LYS 44 8.978 2.045 -27.598 595 1HE LYS 44 2HE LYS 44 7.327 -0.214 -27.563 596 2HE LYS 44 1HE LYS 44 6.648 0.805 -28.833 597 1HZ LYS 44 1HZ LYS 44 8.945 1.039 -29.710 598 2HZ LYS 44 2HZ LYS 44 8.328 -0.543 -29.795 599 3HZ LYS 44 3HZ LYS 44 9.452 -0.129 -28.589 600 H ASP 45 H ASP 45 6.608 2.193 -23.375 601 HA ASP 45 HA ASP 45 8.262 4.465 -22.873 602 1HB ASP 45 2HB ASP 45 5.401 3.820 -22.155 603 2HB ASP 45 1HB ASP 45 6.150 5.357 -21.751 604 H ILE 46 H ILE 46 6.601 2.183 -20.648 605 HA ILE 46 HA ILE 46 7.530 3.379 -18.238 606 HB ILE 46 HB ILE 46 5.742 1.594 -18.434 607 1HG1 ILE 46 2HG1 ILE 46 7.944 1.064 -16.418 608 2HG1 ILE 46 1HG1 ILE 46 6.757 2.359 -16.289 609 1HG2 ILE 46 1HG2 ILE 46 8.090 -0.047 -19.165 610 2HG2 ILE 46 2HG2 ILE 46 6.388 -0.279 -19.527 611 3HG2 ILE 46 3HG2 ILE 46 7.027 -0.763 -17.961 612 1HD1 ILE 46 1HD1 ILE 46 6.408 -0.105 -15.195 613 2HD1 ILE 46 2HD1 ILE 46 5.638 -0.344 -16.762 614 3HD1 ILE 46 3HD1 ILE 46 5.075 0.937 -15.690 615 H LEU 47 H LEU 47 9.149 1.281 -20.538 616 HA LEU 47 HA LEU 47 11.365 0.546 -18.858 617 1HB LEU 47 2HB LEU 47 10.922 0.660 -21.837 618 2HB LEU 47 1HB LEU 47 12.518 0.314 -21.185 619 HG LEU 47 HG LEU 47 10.214 -1.219 -20.073 620 1HD1 LEU 47 1HD1 LEU 47 10.910 -2.872 -22.074 621 2HD1 LEU 47 2HD1 LEU 47 11.172 -1.332 -22.892 622 3HD1 LEU 47 3HD1 LEU 47 9.584 -1.720 -22.228 623 1HD2 LEU 47 1HD2 LEU 47 12.340 -1.691 -19.113 624 2HD2 LEU 47 2HD2 LEU 47 13.135 -1.696 -20.688 625 3HD2 LEU 47 3HD2 LEU 47 12.051 -3.013 -20.242 626 H GLU 48 H GLU 48 10.887 3.119 -21.277 627 HA GLU 48 HA GLU 48 13.428 4.390 -20.821 628 1HB GLU 48 2HB GLU 48 10.920 5.802 -21.750 629 2HB GLU 48 1HB GLU 48 12.593 6.230 -22.102 630 1HG GLU 48 2HG GLU 48 11.192 3.724 -23.057 631 2HG GLU 48 1HG GLU 48 11.503 5.153 -24.023 632 H VAL 49 H VAL 49 10.183 4.735 -19.492 633 HA VAL 49 HA VAL 49 10.627 7.073 -17.963 634 HB VAL 49 HB VAL 49 8.839 4.710 -17.294 635 1HG1 VAL 49 1HG1 VAL 49 9.391 6.478 -15.474 636 2HG1 VAL 49 2HG1 VAL 49 7.694 6.125 -15.789 637 3HG1 VAL 49 3HG1 VAL 49 8.430 7.581 -16.457 638 1HG2 VAL 49 1HG2 VAL 49 7.660 7.181 -18.395 639 2HG2 VAL 49 2HG2 VAL 49 7.346 5.499 -18.819 640 3HG2 VAL 49 3HG2 VAL 49 8.725 6.341 -19.521 641 H ILE 50 H ILE 50 10.847 3.634 -16.910 642 HA ILE 50 HA ILE 50 11.987 4.164 -14.353 643 HB ILE 50 HB ILE 50 12.536 1.764 -16.124 644 1HG1 ILE 50 2HG1 ILE 50 10.506 1.746 -13.936 645 2HG1 ILE 50 1HG1 ILE 50 10.065 2.545 -15.444 646 1HG2 ILE 50 1HG2 ILE 50 12.964 2.408 -13.224 647 2HG2 ILE 50 2HG2 ILE 50 14.036 1.573 -14.349 648 3HG2 ILE 50 3HG2 ILE 50 12.621 0.745 -13.700 649 1HD1 ILE 50 1HD1 ILE 50 11.129 -0.286 -15.227 650 2HD1 ILE 50 2HD1 ILE 50 10.612 0.518 -16.710 651 3HD1 ILE 50 3HD1 ILE 50 9.433 0.142 -15.453 652 H CYS 51 H CYS 51 13.357 4.353 -17.542 653 HA CYS 51 HA CYS 51 16.121 4.220 -16.701 654 1HB CYS 51 2HB CYS 51 15.165 3.807 -19.071 655 2HB CYS 51 1HB CYS 51 15.117 5.564 -19.211 656 HG CYS 51 HG CYS 51 17.465 4.679 -20.060 657 H LYS 52 H LYS 52 13.850 6.842 -17.512 658 HA LYS 52 HA LYS 52 15.617 9.033 -17.162 659 1HB LYS 52 2HB LYS 52 12.675 8.978 -16.441 660 2HB LYS 52 1HB LYS 52 13.637 10.406 -16.799 661 1HG LYS 52 2HG LYS 52 13.708 9.955 -19.073 662 2HG LYS 52 1HG LYS 52 13.487 8.221 -18.845 663 1HD LYS 52 2HD LYS 52 11.343 8.700 -19.501 664 2HD LYS 52 1HD LYS 52 11.154 9.116 -17.798 665 1HE LYS 52 2HE LYS 52 10.305 10.993 -18.982 666 2HE LYS 52 1HE LYS 52 11.917 11.478 -18.456 667 1HZ LYS 52 1HZ LYS 52 11.656 12.052 -20.743 668 2HZ LYS 52 2HZ LYS 52 11.138 10.484 -21.143 669 3HZ LYS 52 3HZ LYS 52 12.744 10.753 -20.656 670 H TYR 53 H TYR 53 13.884 7.081 -14.811 671 HA TYR 53 HA TYR 53 14.827 8.824 -12.603 672 1HB TYR 53 2HB TYR 53 12.871 6.503 -12.636 673 2HB TYR 53 1HB TYR 53 13.278 7.465 -11.228 674 HD1 TYR 53 HD1 TYR 53 11.783 9.155 -10.657 675 HD2 TYR 53 HD2 TYR 53 12.182 8.050 -14.780 676 HE1 TYR 53 HE1 TYR 53 9.998 10.763 -11.275 677 HE2 TYR 53 HE2 TYR 53 10.414 9.651 -15.399 678 HH TYR 53 HH TYR 53 8.263 10.731 -13.735 679 H VAL 54 H VAL 54 15.563 5.828 -14.186 680 HA VAL 54 HA VAL 54 17.646 5.261 -12.171 681 HB VAL 54 HB VAL 54 15.870 2.942 -12.934 682 1HG1 VAL 54 1HG1 VAL 54 17.207 3.372 -10.287 683 2HG1 VAL 54 2HG1 VAL 54 18.202 2.960 -11.684 684 3HG1 VAL 54 3HG1 VAL 54 16.917 1.869 -11.163 685 1HG2 VAL 54 1HG2 VAL 54 14.546 3.265 -10.882 686 2HG2 VAL 54 2HG2 VAL 54 14.339 4.645 -11.961 687 3HG2 VAL 54 3HG2 VAL 54 15.397 4.775 -10.556 688 H GLN 55 H GLN 55 17.693 2.405 -13.623 689 HA GLN 55 HA GLN 55 18.235 3.009 -16.382 690 1HB GLN 55 2HB GLN 55 20.338 3.547 -14.476 691 2HB GLN 55 1HB GLN 55 20.832 2.249 -15.560 692 1HG GLN 55 2HG GLN 55 20.374 3.616 -17.506 693 2HG GLN 55 1HG GLN 55 19.674 4.886 -16.502 694 1HE2 GLN 55 1HE2 GLN 55 21.305 5.704 -14.704 695 2HE2 GLN 55 2HE2 GLN 55 22.912 5.914 -15.210 696 H ILE 56 H ILE 56 17.414 1.134 -17.102 697 HA ILE 56 HA ILE 56 18.684 -1.405 -16.209 698 HB ILE 56 HB ILE 56 16.301 -2.427 -16.414 699 1HG1 ILE 56 2HG1 ILE 56 15.237 0.122 -15.353 700 2HG1 ILE 56 1HG1 ILE 56 15.613 0.147 -17.074 701 1HG2 ILE 56 1HG2 ILE 56 16.442 -0.733 -13.980 702 2HG2 ILE 56 2HG2 ILE 56 17.843 -1.754 -14.310 703 3HG2 ILE 56 3HG2 ILE 56 16.246 -2.480 -14.131 704 1HD1 ILE 56 1HD1 ILE 56 13.965 -2.031 -15.762 705 2HD1 ILE 56 2HD1 ILE 56 14.185 -1.753 -17.489 706 3HD1 ILE 56 3HD1 ILE 56 13.258 -0.606 -16.523 707 H ASP 57 H ASP 57 18.084 -3.202 -17.790 708 HA ASP 57 HA ASP 57 18.078 -2.066 -20.543 709 1HB ASP 57 2HB ASP 57 19.125 -4.594 -19.306 710 2HB ASP 57 1HB ASP 57 18.721 -4.587 -21.023 711 HA PRO 58 HA PRO 58 14.087 -3.791 -21.387 712 1HB PRO 58 2HB PRO 58 14.336 -4.629 -23.978 713 2HB PRO 58 1HB PRO 58 14.220 -2.924 -23.514 714 1HG PRO 58 2HG PRO 58 16.597 -4.491 -24.364 715 2HG PRO 58 1HG PRO 58 16.227 -2.777 -24.608 716 1HD PRO 58 2HD PRO 58 17.990 -3.774 -22.689 717 2HD PRO 58 1HD PRO 58 17.238 -2.165 -22.645 718 H GLU 59 H GLU 59 16.884 -5.814 -22.056 719 HA GLU 59 HA GLU 59 15.452 -8.314 -22.264 720 1HB GLU 59 2HB GLU 59 18.314 -7.558 -21.686 721 2HB GLU 59 1HB GLU 59 17.782 -9.234 -21.556 722 1HG GLU 59 2HG GLU 59 18.319 -9.280 -23.780 723 2HG GLU 59 1HG GLU 59 16.704 -8.596 -23.959 724 H MET 60 H MET 60 16.075 -6.197 -19.624 725 HA MET 60 HA MET 60 16.009 -8.325 -17.586 726 1HB MET 60 2HB MET 60 16.302 -5.323 -17.552 727 2HB MET 60 1HB MET 60 15.935 -6.201 -16.073 728 1HG MET 60 2HG MET 60 18.119 -7.400 -17.647 729 2HG MET 60 1HG MET 60 18.473 -5.772 -17.072 730 1HE MET 60 1HE MET 60 18.273 -5.850 -13.353 731 2HE MET 60 2HE MET 60 17.663 -5.019 -14.780 732 3HE MET 60 3HE MET 60 19.389 -5.333 -14.624 733 H VAL 61 H VAL 61 13.846 -6.107 -19.200 734 HA VAL 61 HA VAL 61 11.721 -6.552 -17.190 735 HB VAL 61 HB VAL 61 11.682 -4.896 -19.730 736 1HG1 VAL 61 1HG1 VAL 61 9.650 -3.974 -18.941 737 2HG1 VAL 61 2HG1 VAL 61 9.893 -4.614 -17.316 738 3HG1 VAL 61 3HG1 VAL 61 9.481 -5.704 -18.640 739 1HG2 VAL 61 1HG2 VAL 61 11.740 -3.063 -17.792 740 2HG2 VAL 61 2HG2 VAL 61 13.228 -3.737 -18.456 741 3HG2 VAL 61 3HG2 VAL 61 12.586 -4.350 -16.932 742 H THR 62 H THR 62 10.146 -8.072 -17.512 743 HA THR 62 HA THR 62 10.095 -9.486 -20.108 744 HB THR 62 HB THR 62 8.599 -10.358 -17.645 745 HG1 THR 62 HG1 THR 62 10.403 -11.215 -16.836 746 1HG2 THR 62 1HG2 THR 62 9.201 -12.608 -18.668 747 2HG2 THR 62 2HG2 THR 62 9.787 -11.716 -20.071 748 3HG2 THR 62 3HG2 THR 62 8.088 -11.618 -19.611 749 H VAL 63 H VAL 63 7.951 -10.045 -21.017 750 HA VAL 63 HA VAL 63 5.717 -8.299 -20.127 751 HB VAL 63 HB VAL 63 6.658 -8.459 -23.002 752 1HG1 VAL 63 1HG1 VAL 63 4.619 -6.649 -21.671 753 2HG1 VAL 63 2HG1 VAL 63 4.206 -8.090 -22.598 754 3HG1 VAL 63 3HG1 VAL 63 4.993 -6.726 -23.392 755 1HG2 VAL 63 1HG2 VAL 63 7.177 -6.497 -20.792 756 2HG2 VAL 63 2HG2 VAL 63 7.066 -5.920 -22.455 757 3HG2 VAL 63 3HG2 VAL 63 8.287 -7.114 -22.014 758 H GLN 64 H GLN 64 4.161 -9.805 -19.731 759 HA GLN 64 HA GLN 64 3.763 -11.929 -21.791 760 1HB GLN 64 2HB GLN 64 2.874 -13.350 -19.911 761 2HB GLN 64 1HB GLN 64 4.591 -12.979 -19.768 762 1HG GLN 64 2HG GLN 64 2.795 -11.004 -18.497 763 2HG GLN 64 1HG GLN 64 2.768 -12.601 -17.759 764 1HE2 GLN 64 1HE2 GLN 64 4.211 -12.640 -16.037 765 2HE2 GLN 64 2HE2 GLN 64 5.751 -11.923 -16.036 766 H LEU 65 H LEU 65 1.666 -12.144 -22.569 767 HA LEU 65 HA LEU 65 -0.345 -10.290 -21.402 768 1HB LEU 65 2HB LEU 65 -1.415 -10.439 -23.653 769 2HB LEU 65 1HB LEU 65 0.184 -9.710 -23.685 770 HG LEU 65 HG LEU 65 0.164 -12.650 -23.998 771 1HD1 LEU 65 1HD1 LEU 65 -0.684 -11.046 -26.394 772 2HD1 LEU 65 2HD1 LEU 65 -1.904 -11.651 -25.274 773 3HD1 LEU 65 3HD1 LEU 65 -0.834 -12.779 -26.105 774 1HD2 LEU 65 1HD2 LEU 65 2.028 -10.778 -24.304 775 2HD2 LEU 65 2HD2 LEU 65 1.349 -10.690 -25.928 776 3HD2 LEU 65 3HD2 LEU 65 2.012 -12.212 -25.331 777 H GLU 66 H GLU 66 -2.375 -11.062 -20.905 778 HA GLU 66 HA GLU 66 -2.946 -13.937 -21.420 779 1HB GLU 66 2HB GLU 66 -2.990 -12.499 -18.765 780 2HB GLU 66 1HB GLU 66 -3.953 -13.948 -19.035 781 1HG GLU 66 2HG GLU 66 -0.946 -13.719 -19.350 782 2HG GLU 66 1HG GLU 66 -1.780 -14.493 -18.006 783 H GLN 67 H GLN 67 -5.377 -14.327 -20.786 784 HA GLN 67 HA GLN 67 -7.053 -11.916 -21.150 785 1HB GLN 67 2HB GLN 67 -7.233 -14.259 -23.071 786 2HB GLN 67 1HB GLN 67 -8.187 -12.777 -23.121 787 1HG GLN 67 2HG GLN 67 -6.059 -11.483 -23.420 788 2HG GLN 67 1HG GLN 67 -5.194 -13.016 -23.533 789 1HE2 GLN 67 1HE2 GLN 67 -4.616 -12.856 -25.772 790 2HE2 GLN 67 2HE2 GLN 67 -5.767 -12.854 -27.019 791 H LYS 68 H LYS 68 -9.207 -12.247 -20.442 792 HA LYS 68 HA LYS 68 -9.601 -14.762 -18.900 793 1HB LYS 68 2HB LYS 68 -10.864 -12.025 -18.709 794 2HB LYS 68 1HB LYS 68 -11.484 -13.418 -17.830 795 1HG LYS 68 2HG LYS 68 -9.817 -13.333 -16.302 796 2HG LYS 68 1HG LYS 68 -8.582 -13.112 -17.540 797 1HD LYS 68 2HD LYS 68 -8.661 -11.140 -16.090 798 2HD LYS 68 1HD LYS 68 -9.215 -10.711 -17.708 799 1HE LYS 68 2HE LYS 68 -10.793 -9.723 -16.223 800 2HE LYS 68 1HE LYS 68 -11.585 -11.169 -16.849 801 1HZ LYS 68 1HZ LYS 68 -10.797 -12.354 -14.848 802 2HZ LYS 68 2HZ LYS 68 -11.876 -11.090 -14.494 803 3HZ LYS 68 3HZ LYS 68 -10.209 -10.885 -14.235 804 H ASP 69 H ASP 69 -11.979 -15.490 -18.823 805 HA ASP 69 HA ASP 69 -12.874 -15.976 -21.525 806 1HB ASP 69 2HB ASP 69 -13.088 -17.462 -19.370 807 2HB ASP 69 1HB ASP 69 -14.576 -16.547 -19.125 808 H GLY 70 H GLY 70 -13.362 -13.333 -19.465 809 1HA GLY 70 2HA GLY 70 -16.094 -12.782 -20.483 810 2HA GLY 70 1HA GLY 70 -15.266 -11.874 -19.219 811 H ASP 71 H ASP 71 -13.737 -12.721 -22.270 812 HA ASP 71 HA ASP 71 -12.872 -11.379 -23.980 813 1HB ASP 71 2HB ASP 71 -15.423 -9.943 -23.259 814 2HB ASP 71 1HB ASP 71 -14.327 -9.273 -24.467 815 H ILE 72 H ILE 72 -11.608 -11.121 -21.567 816 HA ILE 72 HA ILE 72 -10.978 -8.201 -21.471 817 HB ILE 72 HB ILE 72 -10.781 -10.113 -19.133 818 1HG1 ILE 72 2HG1 ILE 72 -13.033 -8.280 -20.014 819 2HG1 ILE 72 1HG1 ILE 72 -13.120 -10.004 -19.695 820 1HG2 ILE 72 1HG2 ILE 72 -9.355 -8.063 -19.123 821 2HG2 ILE 72 2HG2 ILE 72 -10.562 -8.051 -17.839 822 3HG2 ILE 72 3HG2 ILE 72 -10.812 -7.084 -19.291 823 1HD1 ILE 72 1HD1 ILE 72 -12.522 -7.902 -17.588 824 2HD1 ILE 72 2HD1 ILE 72 -12.736 -9.629 -17.310 825 3HD1 ILE 72 3HD1 ILE 72 -14.098 -8.648 -17.846 826 H SER 73 H SER 73 -8.711 -7.729 -20.985 827 HA SER 73 HA SER 73 -6.893 -9.994 -21.723 828 1HB SER 73 2HB SER 73 -6.836 -7.056 -22.384 829 2HB SER 73 1HB SER 73 -5.355 -8.006 -22.410 830 HG SER 73 HG SER 73 -5.995 -8.833 -24.225 831 H ILE 74 H ILE 74 -4.650 -9.709 -20.828 832 HA ILE 74 HA ILE 74 -4.467 -8.175 -18.309 833 HB ILE 74 HB ILE 74 -4.309 -11.199 -18.474 834 1HG1 ILE 74 2HG1 ILE 74 -6.123 -9.308 -16.953 835 2HG1 ILE 74 1HG1 ILE 74 -6.583 -10.361 -18.281 836 1HG2 ILE 74 1HG2 ILE 74 -3.668 -9.382 -16.129 837 2HG2 ILE 74 2HG2 ILE 74 -2.488 -10.310 -17.055 838 3HG2 ILE 74 3HG2 ILE 74 -3.699 -11.144 -16.082 839 1HD1 ILE 74 1HD1 ILE 74 -5.312 -11.985 -16.303 840 2HD1 ILE 74 2HD1 ILE 74 -6.995 -12.026 -16.832 841 3HD1 ILE 74 3HD1 ILE 74 -6.516 -10.983 -15.492 842 H LEU 75 H LEU 75 -2.748 -7.060 -19.424 843 HA LEU 75 HA LEU 75 -0.462 -8.645 -20.370 844 1HB LEU 75 2HB LEU 75 -1.339 -6.631 -21.626 845 2HB LEU 75 1HB LEU 75 -0.722 -5.638 -20.308 846 HG LEU 75 HG LEU 75 1.176 -7.623 -21.435 847 1HD1 LEU 75 1HD1 LEU 75 1.452 -6.685 -23.506 848 2HD1 LEU 75 2HD1 LEU 75 0.984 -5.077 -22.955 849 3HD1 LEU 75 3HD1 LEU 75 -0.254 -6.285 -23.301 850 1HD2 LEU 75 1HD2 LEU 75 2.670 -5.578 -21.202 851 2HD2 LEU 75 2HD2 LEU 75 1.942 -6.147 -19.699 852 3HD2 LEU 75 3HD2 LEU 75 1.277 -4.737 -20.522 853 H GLU 76 H GLU 76 0.836 -9.363 -18.759 854 HA GLU 76 HA GLU 76 1.440 -7.547 -16.471 855 1HB GLU 76 2HB GLU 76 2.197 -10.465 -16.690 856 2HB GLU 76 1HB GLU 76 2.093 -9.479 -15.237 857 1HG GLU 76 2HG GLU 76 -0.302 -9.397 -15.358 858 2HG GLU 76 1HG GLU 76 -0.307 -10.090 -16.979 859 H LEU 77 H LEU 77 3.422 -6.565 -16.433 860 HA LEU 77 HA LEU 77 5.552 -7.747 -18.167 861 1HB LEU 77 2HB LEU 77 6.467 -5.415 -18.356 862 2HB LEU 77 1HB LEU 77 4.889 -5.622 -19.111 863 HG LEU 77 HG LEU 77 4.946 -4.757 -16.256 864 1HD1 LEU 77 1HD1 LEU 77 6.697 -3.398 -17.469 865 2HD1 LEU 77 2HD1 LEU 77 5.358 -2.452 -16.820 866 3HD1 LEU 77 3HD1 LEU 77 5.418 -2.830 -18.542 867 1HD2 LEU 77 1HD2 LEU 77 3.175 -4.635 -18.632 868 2HD2 LEU 77 2HD2 LEU 77 3.156 -3.199 -17.609 869 3HD2 LEU 77 3HD2 LEU 77 2.755 -4.772 -16.925 870 H ASN 78 H ASN 78 7.361 -8.359 -17.127 871 HA ASN 78 HA ASN 78 7.590 -7.840 -14.236 872 1HB ASN 78 2HB ASN 78 9.384 -9.453 -16.057 873 2HB ASN 78 1HB ASN 78 9.323 -9.521 -14.303 874 1HD2 ASN 78 1HD2 ASN 78 8.101 -11.231 -13.514 875 2HD2 ASN 78 2HD2 ASN 78 6.772 -11.924 -14.304 876 H VAL 79 H VAL 79 9.284 -6.645 -13.335 877 HA VAL 79 HA VAL 79 11.107 -5.291 -15.281 878 HB VAL 79 HB VAL 79 10.004 -4.047 -12.748 879 1HG1 VAL 79 1HG1 VAL 79 10.758 -1.993 -14.254 880 2HG1 VAL 79 2HG1 VAL 79 11.809 -3.207 -14.982 881 3HG1 VAL 79 3HG1 VAL 79 11.927 -2.858 -13.257 882 1HG2 VAL 79 1HG2 VAL 79 8.514 -2.765 -14.228 883 2HG2 VAL 79 2HG2 VAL 79 8.203 -4.492 -14.413 884 3HG2 VAL 79 3HG2 VAL 79 9.141 -3.630 -15.632 885 H THR 80 H THR 80 12.685 -6.932 -14.795 886 HA THR 80 HA THR 80 13.590 -7.391 -12.076 887 HB THR 80 HB THR 80 15.016 -7.995 -14.684 888 HG1 THR 80 HG1 THR 80 13.304 -9.633 -13.128 889 1HG2 THR 80 1HG2 THR 80 15.451 -8.686 -11.816 890 2HG2 THR 80 2HG2 THR 80 16.631 -8.412 -13.097 891 3HG2 THR 80 3HG2 THR 80 15.763 -9.945 -13.010 892 H LEU 81 H LEU 81 14.406 -5.591 -11.048 893 HA LEU 81 HA LEU 81 16.196 -3.745 -12.489 894 1HB LEU 81 2HB LEU 81 15.061 -3.806 -9.680 895 2HB LEU 81 1HB LEU 81 16.204 -2.584 -10.226 896 HG LEU 81 HG LEU 81 13.765 -3.104 -11.882 897 1HD1 LEU 81 1HD1 LEU 81 12.732 -2.868 -9.748 898 2HD1 LEU 81 2HD1 LEU 81 12.649 -1.268 -10.486 899 3HD1 LEU 81 3HD1 LEU 81 13.866 -1.610 -9.256 900 1HD2 LEU 81 1HD2 LEU 81 14.266 -1.050 -12.781 901 2HD2 LEU 81 2HD2 LEU 81 15.877 -1.435 -12.176 902 3HD2 LEU 81 3HD2 LEU 81 14.809 -0.392 -11.237 903 HA PRO 82 HA PRO 82 19.755 -5.974 -10.889 904 1HB PRO 82 2HB PRO 82 21.676 -4.245 -11.769 905 2HB PRO 82 1HB PRO 82 20.811 -5.361 -12.836 906 1HG PRO 82 2HG PRO 82 20.574 -2.438 -12.600 907 2HG PRO 82 1HG PRO 82 20.153 -3.499 -13.951 908 1HD PRO 82 2HD PRO 82 18.368 -2.329 -12.047 909 2HD PRO 82 1HD PRO 82 17.969 -3.488 -13.334 910 H GLU 83 H GLU 83 21.911 -5.252 -9.665 911 HA GLU 83 HA GLU 83 21.164 -4.169 -7.148 912 1HB GLU 83 2HB GLU 83 23.625 -5.096 -8.451 913 2HB GLU 83 1HB GLU 83 23.914 -3.804 -7.287 914 1HG GLU 83 2HG GLU 83 22.616 -5.079 -5.590 915 2HG GLU 83 1HG GLU 83 22.431 -6.392 -6.752 916 H ALA 84 H ALA 84 22.956 -2.286 -6.372 917 HA ALA 84 HA ALA 84 23.376 -0.102 -8.145 918 1HB ALA 84 1HB ALA 84 20.897 0.123 -6.410 919 2HB ALA 84 2HB ALA 84 20.916 0.039 -8.172 920 3HB ALA 84 3HB ALA 84 21.605 1.438 -7.348 921 H GLU 85 H GLU 85 25.325 -0.475 -6.794 922 HA GLU 85 HA GLU 85 25.378 -0.074 -3.977 923 1HB GLU 85 2HB GLU 85 27.228 -0.843 -5.775 924 2HB GLU 85 1HB GLU 85 27.714 0.841 -5.578 925 1HG GLU 85 2HG GLU 85 27.627 0.435 -3.060 926 2HG GLU 85 1HG GLU 85 27.493 -1.283 -3.437 927 H GLU 86 H GLU 86 25.592 1.783 -2.734 928 HA GLU 86 HA GLU 86 25.438 4.057 -2.191 929 1HB GLU 86 2HB GLU 86 27.551 3.906 -3.811 930 2HB GLU 86 1HB GLU 86 26.501 4.844 -4.873 931 1HG GLU 86 2HG GLU 86 26.474 6.673 -3.463 932 2HG GLU 86 1HG GLU 86 26.702 5.691 -2.015 933 H LEU 87 H LEU 87 23.153 2.826 -3.365 934 HA LEU 87 HA LEU 87 21.914 5.217 -4.645 935 1HB LEU 87 2HB LEU 87 22.542 3.102 -6.176 936 2HB LEU 87 1HB LEU 87 20.997 2.527 -5.547 937 HG LEU 87 HG LEU 87 21.231 5.319 -6.641 938 1HD1 LEU 87 1HD1 LEU 87 22.089 3.449 -8.260 939 2HD1 LEU 87 2HD1 LEU 87 20.909 4.617 -8.853 940 3HD1 LEU 87 3HD1 LEU 87 20.385 3.005 -8.367 941 1HD2 LEU 87 1HD2 LEU 87 19.198 4.678 -5.414 942 2HD2 LEU 87 2HD2 LEU 87 18.990 3.278 -6.466 943 3HD2 LEU 87 3HD2 LEU 87 18.830 4.907 -7.123 944 H LYS 88 HN LYS 88 20.518 5.835 -3.051 945 HA LYS 88 HA LYS 88 18.465 3.889 -2.187 946 1HB LYS 88 2HB LYS 88 18.772 4.527 0.207 947 2HB LYS 88 1HB LYS 88 20.164 3.666 -0.447 948 1HG LYS 88 2HG LYS 88 20.921 6.179 -1.036 949 2HG LYS 88 1HG LYS 88 19.915 6.518 0.372 950 1HD LYS 88 2HD LYS 88 22.088 6.138 1.254 951 2HD LYS 88 1HD LYS 88 21.211 4.636 1.547 952 1HE LYS 88 2HE LYS 88 22.165 3.991 -0.837 953 2HE LYS 88 1HE LYS 88 23.380 5.207 -0.440 954 1HZ LYS 88 1HZ LYS 88 22.692 2.777 1.115 955 2HZ LYS 88 2HZ LYS 88 23.696 4.014 1.703 956 3HZ LYS 88 3HZ LYS 88 24.159 3.119 0.336 Start of MODEL 20 1 1H ARG 31 1H ARG 31 3.468 1.619 2.691 2 2H ARG 31 2H ARG 31 5.146 1.671 2.954 3 3H ARG 31 3H ARG 31 4.277 0.244 3.264 4 HA ARG 31 HA ARG 31 4.040 -0.285 1.058 5 1HB ARG 31 2HB ARG 31 4.460 1.468 -0.732 6 2HB ARG 31 1HB ARG 31 3.033 1.743 0.264 7 1HG ARG 31 2HG ARG 31 5.448 2.947 1.413 8 2HG ARG 31 1HG ARG 31 5.074 3.578 -0.191 9 1HD ARG 31 2HD ARG 31 2.857 3.302 1.809 10 2HD ARG 31 1HD ARG 31 3.971 4.662 1.952 11 HE ARG 31 HE ARG 31 3.242 4.717 -0.709 12 1HH1 ARG 31 1HH2 ARG 31 1.462 4.647 2.302 13 2HH1 ARG 31 2HH2 ARG 31 0.122 5.520 1.646 14 1HH2 ARG 31 1HH1 ARG 31 1.486 5.845 -1.516 15 2HH2 ARG 31 2HH1 ARG 31 0.132 6.191 -0.491 16 H SER 32 H SER 32 5.765 -1.570 0.722 17 HA SER 32 HA SER 32 8.445 -0.914 1.423 18 1HB SER 32 2HB SER 32 7.577 -2.976 -0.614 19 2HB SER 32 1HB SER 32 9.070 -2.967 0.320 20 HG SER 32 HG SER 32 7.997 -3.968 1.810 21 H ASP 33 H ASP 33 6.591 -0.052 -1.367 22 HA ASP 33 HA ASP 33 8.937 0.335 -3.067 23 1HB ASP 33 2HB ASP 33 6.096 1.246 -3.558 24 2HB ASP 33 1HB ASP 33 7.381 1.084 -4.755 25 H ALA 34 H ALA 34 8.178 1.976 -0.439 26 HA ALA 34 HA ALA 34 8.189 4.684 -1.565 27 1HB ALA 34 1HB ALA 34 6.776 4.493 0.328 28 2HB ALA 34 2HB ALA 34 8.226 5.290 0.939 29 3HB ALA 34 3HB ALA 34 7.978 3.567 1.228 30 H GLU 35 H GLU 35 10.456 2.331 -0.525 31 HA GLU 35 HA GLU 35 12.495 3.951 0.597 32 1HB GLU 35 2HB GLU 35 12.935 1.468 -1.081 33 2HB GLU 35 1HB GLU 35 13.995 2.116 0.164 34 1HG GLU 35 2HG GLU 35 11.278 1.663 1.163 35 2HG GLU 35 1HG GLU 35 12.013 0.188 0.539 36 HA PRO 36 HA PRO 36 14.236 4.599 -3.817 37 1HB PRO 36 2HB PRO 36 12.741 3.823 -5.966 38 2HB PRO 36 1HB PRO 36 13.867 2.749 -5.125 39 1HG PRO 36 2HG PRO 36 10.935 2.721 -5.151 40 2HG PRO 36 1HG PRO 36 12.070 1.433 -4.727 41 1HD PRO 36 2HD PRO 36 10.578 3.124 -2.948 42 2HD PRO 36 1HD PRO 36 11.717 1.841 -2.524 43 H HIS 37 H HIS 37 10.672 4.871 -3.960 44 HA HIS 37 HA HIS 37 9.307 6.755 -4.202 45 1HB HIS 37 2HB HIS 37 11.275 7.923 -2.949 46 2HB HIS 37 1HB HIS 37 11.699 8.547 -4.543 47 HD1 HIS 37 HD1 HIS 37 8.789 8.492 -2.102 48 HD2 HIS 37 HD2 HIS 37 10.094 10.655 -5.418 49 HE1 HIS 37 HE1 HIS 37 7.215 10.461 -2.337 50 H TYR 38 H TYR 38 11.409 5.549 -6.500 51 HA TYR 38 HA TYR 38 10.194 7.271 -8.612 52 1HB TYR 38 2HB TYR 38 12.179 6.540 -10.026 53 2HB TYR 38 1HB TYR 38 12.564 7.625 -8.693 54 HD1 TYR 38 HD1 TYR 38 12.746 4.140 -9.906 55 HD2 TYR 38 HD2 TYR 38 13.819 6.864 -6.764 56 HE1 TYR 38 HE1 TYR 38 14.335 2.467 -8.997 57 HE2 TYR 38 HE2 TYR 38 15.407 5.191 -5.855 58 HH TYR 38 HH TYR 38 16.662 2.830 -7.383 59 H LEU 39 H LEU 39 10.998 4.001 -7.571 60 HA LEU 39 HA LEU 39 10.279 2.506 -9.837 61 1HB LEU 39 2HB LEU 39 10.815 1.998 -7.106 62 2HB LEU 39 1HB LEU 39 9.259 1.243 -7.434 63 HG LEU 39 HG LEU 39 11.056 -0.351 -7.894 64 1HD1 LEU 39 1HD1 LEU 39 8.998 0.192 -9.589 65 2HD1 LEU 39 2HD1 LEU 39 10.125 -1.143 -9.824 66 3HD1 LEU 39 3HD1 LEU 39 10.367 0.377 -10.685 67 1HD2 LEU 39 1HD2 LEU 39 12.807 1.378 -8.332 68 2HD2 LEU 39 2HD2 LEU 39 12.071 1.683 -9.904 69 3HD2 LEU 39 3HD2 LEU 39 12.781 0.109 -9.554 70 HA PRO 40 HA PRO 40 5.673 2.618 -8.412 71 1HB PRO 40 2HB PRO 40 4.971 4.414 -6.471 72 2HB PRO 40 1HB PRO 40 5.450 2.744 -6.138 73 1HG PRO 40 2HG PRO 40 6.977 5.255 -5.756 74 2HG PRO 40 1HG PRO 40 7.050 3.735 -4.857 75 1HD PRO 40 2HD PRO 40 8.894 4.570 -6.777 76 2HD PRO 40 1HD PRO 40 8.706 2.903 -6.193 77 H GLN 41 H GLN 41 7.604 5.478 -8.760 78 HA GLN 41 HA GLN 41 5.474 7.243 -9.657 79 1HB GLN 41 2HB GLN 41 7.585 8.159 -8.778 80 2HB GLN 41 1HB GLN 41 8.488 7.343 -10.051 81 1HG GLN 41 2HG GLN 41 8.178 9.682 -10.665 82 2HG GLN 41 1HG GLN 41 7.220 8.670 -11.746 83 1HE2 GLN 41 1HE2 GLN 41 5.471 10.103 -12.172 84 2HE2 GLN 41 2HE2 GLN 41 4.444 10.710 -10.965 85 H LEU 42 H LEU 42 7.755 4.993 -11.124 86 HA LEU 42 HA LEU 42 7.126 5.686 -13.838 87 1HB LEU 42 2HB LEU 42 8.355 3.180 -12.664 88 2HB LEU 42 1HB LEU 42 8.252 3.517 -14.369 89 HG LEU 42 HG LEU 42 10.164 4.697 -14.311 90 1HD1 LEU 42 1HD1 LEU 42 8.795 6.687 -13.545 91 2HD1 LEU 42 2HD1 LEU 42 10.492 6.726 -13.082 92 3HD1 LEU 42 3HD1 LEU 42 9.269 6.286 -11.896 93 1HD2 LEU 42 1HD2 LEU 42 11.359 4.762 -11.968 94 2HD2 LEU 42 2HD2 LEU 42 11.130 3.227 -12.804 95 3HD2 LEU 42 3HD2 LEU 42 10.043 3.688 -11.495 96 H ARG 43 H ARG 43 6.231 2.850 -11.819 97 HA ARG 43 HA ARG 43 4.491 1.593 -13.603 98 1HB ARG 43 2HB ARG 43 3.439 0.553 -11.699 99 2HB ARG 43 1HB ARG 43 5.144 0.732 -11.346 100 1HG ARG 43 2HG ARG 43 4.644 2.793 -10.066 101 2HG ARG 43 1HG ARG 43 2.925 2.535 -10.357 102 1HD ARG 43 2HD ARG 43 3.266 0.211 -9.317 103 2HD ARG 43 1HD ARG 43 4.819 0.820 -8.747 104 HE ARG 43 HE ARG 43 2.598 2.580 -8.068 105 1HH1 ARG 43 1HH2 ARG 43 4.412 -0.253 -7.109 106 2HH1 ARG 43 2HH2 ARG 43 3.992 -0.081 -5.442 107 1HH2 ARG 43 2HH1 ARG 43 2.079 2.763 -5.901 108 2HH2 ARG 43 1HH1 ARG 43 2.685 1.608 -4.762 109 H LYS 44 H LYS 44 3.683 4.298 -11.393 110 HA LYS 44 HA LYS 44 0.940 4.376 -12.169 111 1HB LYS 44 2HB LYS 44 0.905 6.606 -11.147 112 2HB LYS 44 1HB LYS 44 1.768 5.478 -10.112 113 1HG LYS 44 2HG LYS 44 3.889 6.336 -10.808 114 2HG LYS 44 1HG LYS 44 3.161 7.279 -12.104 115 1HD LYS 44 2HD LYS 44 3.639 8.789 -10.278 116 2HD LYS 44 1HD LYS 44 1.891 8.564 -10.347 117 1HE LYS 44 2HE LYS 44 2.062 6.831 -8.577 118 2HE LYS 44 1HE LYS 44 3.798 7.124 -8.479 119 1HZ LYS 44 1HZ LYS 44 3.057 9.563 -8.137 120 2HZ LYS 44 2HZ LYS 44 2.985 8.478 -6.832 121 3HZ LYS 44 3HZ LYS 44 1.573 8.877 -7.688 122 H ASP 45 H ASP 45 3.903 5.629 -13.594 123 HA ASP 45 HA ASP 45 2.676 7.515 -15.360 124 1HB ASP 45 2HB ASP 45 5.259 5.956 -15.647 125 2HB ASP 45 1HB ASP 45 4.769 7.272 -16.693 126 H ILE 46 H ILE 46 3.591 4.056 -15.820 127 HA ILE 46 HA ILE 46 2.670 3.850 -18.505 128 HB ILE 46 HB ILE 46 3.967 2.117 -17.042 129 1HG1 ILE 46 2HG1 ILE 46 3.146 0.315 -18.583 130 2HG1 ILE 46 1HG1 ILE 46 1.877 1.420 -19.104 131 1HG2 ILE 46 1HG2 ILE 46 2.845 0.610 -15.761 132 2HG2 ILE 46 2HG2 ILE 46 1.430 0.620 -16.813 133 3HG2 ILE 46 3HG2 ILE 46 1.657 1.903 -15.631 134 1HD1 ILE 46 1HD1 ILE 46 3.319 2.339 -20.556 135 2HD1 ILE 46 2HD1 ILE 46 4.608 1.297 -19.962 136 3HD1 ILE 46 3HD1 ILE 46 4.323 2.863 -19.206 137 H LEU 47 H LEU 47 0.895 3.778 -15.451 138 HA LEU 47 HA LEU 47 -1.612 2.872 -16.492 139 1HB LEU 47 2HB LEU 47 -0.803 4.560 -14.126 140 2HB LEU 47 1HB LEU 47 -2.504 4.310 -14.510 141 HG LEU 47 HG LEU 47 -0.736 1.906 -14.436 142 1HD1 LEU 47 1HD1 LEU 47 -1.539 1.916 -11.878 143 2HD1 LEU 47 2HD1 LEU 47 -1.387 3.658 -12.112 144 3HD1 LEU 47 3HD1 LEU 47 0.006 2.608 -12.373 145 1HD2 LEU 47 1HD2 LEU 47 -3.086 1.673 -15.052 146 2HD2 LEU 47 2HD2 LEU 47 -3.583 2.532 -13.594 147 3HD2 LEU 47 3HD2 LEU 47 -2.834 0.941 -13.467 148 H GLU 48 H GLU 48 -0.166 6.090 -16.146 149 HA GLU 48 HA GLU 48 -2.410 7.492 -17.325 150 1HB GLU 48 2HB GLU 48 0.338 8.668 -17.485 151 2HB GLU 48 1HB GLU 48 -1.185 9.447 -17.071 152 1HG GLU 48 2HG GLU 48 -0.876 7.680 -14.984 153 2HG GLU 48 1HG GLU 48 0.786 8.120 -15.336 154 H VAL 49 H VAL 49 0.634 6.135 -18.450 155 HA VAL 49 HA VAL 49 0.600 7.146 -21.114 156 HB VAL 49 HB VAL 49 1.670 4.476 -20.140 157 1HG1 VAL 49 1HG1 VAL 49 3.016 4.462 -22.094 158 2HG1 VAL 49 2HG1 VAL 49 2.669 6.155 -22.444 159 3HG1 VAL 49 3HG1 VAL 49 1.415 4.934 -22.661 160 1HG2 VAL 49 1HG2 VAL 49 2.405 7.005 -19.259 161 2HG2 VAL 49 2HG2 VAL 49 3.561 6.690 -20.551 162 3HG2 VAL 49 3HG2 VAL 49 3.423 5.568 -19.198 163 H ILE 50 H ILE 50 -0.420 3.900 -19.945 164 HA ILE 50 HA ILE 50 -1.728 3.075 -22.323 165 HB ILE 50 HB ILE 50 -2.537 2.433 -19.468 166 1HG1 ILE 50 2HG1 ILE 50 -0.889 0.589 -21.133 167 2HG1 ILE 50 1HG1 ILE 50 -0.076 2.013 -20.482 168 1HG2 ILE 50 1HG2 ILE 50 -4.170 1.845 -21.308 169 2HG2 ILE 50 2HG2 ILE 50 -3.567 0.461 -20.398 170 3HG2 ILE 50 3HG2 ILE 50 -2.918 0.813 -21.999 171 1HD1 ILE 50 1HD1 ILE 50 -1.626 -0.049 -18.887 172 2HD1 ILE 50 2HD1 ILE 50 -0.910 1.415 -18.213 173 3HD1 ILE 50 3HD1 ILE 50 0.126 0.162 -18.897 174 H CYS 51 H CYS 51 -2.672 5.392 -19.893 175 HA CYS 51 HA CYS 51 -5.470 5.483 -20.591 176 1HB CYS 51 2HB CYS 51 -4.284 6.312 -18.422 177 2HB CYS 51 1HB CYS 51 -3.937 7.765 -19.359 178 HG CYS 51 HG CYS 51 -6.673 7.763 -19.795 179 H LYS 52 H LYS 52 -2.629 7.480 -21.411 180 HA LYS 52 HA LYS 52 -3.943 9.385 -23.051 181 1HB LYS 52 2HB LYS 52 -1.158 8.269 -23.469 182 2HB LYS 52 1HB LYS 52 -1.768 9.806 -24.074 183 1HG LYS 52 2HG LYS 52 -1.658 10.821 -22.013 184 2HG LYS 52 1HG LYS 52 -1.955 9.319 -21.138 185 1HD LYS 52 2HD LYS 52 0.283 9.384 -20.707 186 2HD LYS 52 1HD LYS 52 0.442 8.759 -22.348 187 1HE LYS 52 2HE LYS 52 1.869 10.643 -22.317 188 2HE LYS 52 1HE LYS 52 0.398 11.237 -23.086 189 1HZ LYS 52 1HZ LYS 52 -0.306 12.219 -21.062 190 2HZ LYS 52 2HZ LYS 52 1.306 12.696 -21.306 191 3HZ LYS 52 3HZ LYS 52 0.938 11.477 -20.180 192 H TYR 53 H TYR 53 -2.846 6.121 -23.771 193 HA TYR 53 HA TYR 53 -3.655 6.434 -26.606 194 1HB TYR 53 2HB TYR 53 -2.183 4.201 -25.172 195 2HB TYR 53 1HB TYR 53 -2.520 4.251 -26.891 196 HD1 TYR 53 HD1 TYR 53 -0.817 5.022 -28.291 197 HD2 TYR 53 HD2 TYR 53 -0.992 6.453 -24.252 198 HE1 TYR 53 HE1 TYR 53 1.294 6.280 -28.632 199 HE2 TYR 53 HE2 TYR 53 1.101 7.710 -24.590 200 HH TYR 53 HH TYR 53 3.186 7.372 -26.274 201 H VAL 54 H VAL 54 -4.822 5.170 -23.613 202 HA VAL 54 HA VAL 54 -7.136 3.965 -24.992 203 HB VAL 54 HB VAL 54 -5.795 2.240 -22.911 204 1HG1 VAL 54 1HG1 VAL 54 -7.705 1.120 -23.396 205 2HG1 VAL 54 2HG1 VAL 54 -6.908 0.657 -24.896 206 3HG1 VAL 54 3HG1 VAL 54 -7.983 2.054 -24.865 207 1HG2 VAL 54 1HG2 VAL 54 -4.610 1.000 -24.696 208 2HG2 VAL 54 2HG2 VAL 54 -4.029 2.662 -24.598 209 3HG2 VAL 54 3HG2 VAL 54 -5.143 2.192 -25.882 210 H GLN 55 H GLN 55 -7.597 2.616 -22.117 211 HA GLN 55 HA GLN 55 -7.750 4.812 -20.282 212 1HB GLN 55 2HB GLN 55 -9.779 4.760 -22.269 213 2HB GLN 55 1HB GLN 55 -10.533 4.259 -20.759 214 1HG GLN 55 2HG GLN 55 -9.303 6.284 -19.710 215 2HG GLN 55 1HG GLN 55 -9.091 6.836 -21.371 216 1HE2 GLN 55 1HE2 GLN 55 -11.333 6.666 -18.747 217 2HE2 GLN 55 2HE2 GLN 55 -12.690 7.251 -19.583 218 H ILE 56 H ILE 56 -7.325 3.593 -18.543 219 HA ILE 56 HA ILE 56 -9.188 1.374 -17.866 220 HB ILE 56 HB ILE 56 -7.079 0.161 -16.949 221 1HG1 ILE 56 2HG1 ILE 56 -5.581 1.309 -19.232 222 2HG1 ILE 56 1HG1 ILE 56 -5.790 2.398 -17.863 223 1HG2 ILE 56 1HG2 ILE 56 -8.596 -0.179 -19.159 224 2HG2 ILE 56 2HG2 ILE 56 -7.239 -1.226 -18.750 225 3HG2 ILE 56 3HG2 ILE 56 -7.023 0.083 -19.911 226 1HD1 ILE 56 1HD1 ILE 56 -4.629 0.989 -16.397 227 2HD1 ILE 56 2HD1 ILE 56 -3.732 0.771 -17.899 228 3HD1 ILE 56 3HD1 ILE 56 -4.911 -0.439 -17.392 229 H ASP 57 H ASP 57 -8.877 0.752 -15.501 230 HA ASP 57 HA ASP 57 -8.393 3.236 -13.931 231 1HB ASP 57 2HB ASP 57 -10.068 0.778 -13.522 232 2HB ASP 57 1HB ASP 57 -9.537 1.696 -12.114 233 HA PRO 58 HA PRO 58 -4.821 1.474 -11.998 234 1HB PRO 58 2HB PRO 58 -5.028 2.389 -9.428 235 2HB PRO 58 1HB PRO 58 -4.580 3.421 -10.796 236 1HG PRO 58 2HG PRO 58 -7.161 3.236 -9.335 237 2HG PRO 58 1HG PRO 58 -6.405 4.629 -10.123 238 1HD PRO 58 2HD PRO 58 -8.501 3.129 -11.193 239 2HD PRO 58 1HD PRO 58 -7.423 4.189 -12.127 240 H GLU 59 H GLU 59 -7.918 0.931 -10.425 241 HA GLU 59 HA GLU 59 -7.039 -1.232 -8.719 242 1HB GLU 59 2HB GLU 59 -9.750 -0.409 -9.788 243 2HB GLU 59 1HB GLU 59 -9.530 -1.791 -8.714 244 1HG GLU 59 2HG GLU 59 -8.556 -0.358 -6.998 245 2HG GLU 59 1HG GLU 59 -8.630 1.034 -8.078 246 H MET 60 H MET 60 -7.446 -0.976 -12.122 247 HA MET 60 HA MET 60 -8.053 -3.846 -12.466 248 1HB MET 60 2HB MET 60 -7.821 -1.477 -14.324 249 2HB MET 60 1HB MET 60 -7.834 -3.123 -14.950 250 1HG MET 60 2HG MET 60 -9.996 -3.565 -14.037 251 2HG MET 60 1HG MET 60 -9.948 -2.107 -13.045 252 1HE MET 60 1HE MET 60 -9.850 -3.738 -16.251 253 2HE MET 60 2HE MET 60 -9.125 -2.424 -17.174 254 3HE MET 60 3HE MET 60 -10.836 -2.791 -17.373 255 H VAL 61 H VAL 61 -5.322 -1.699 -12.379 256 HA VAL 61 HA VAL 61 -3.604 -3.699 -13.748 257 HB VAL 61 HB VAL 61 -2.905 -0.924 -12.740 258 1HG1 VAL 61 1HG1 VAL 61 -1.468 -2.606 -14.801 259 2HG1 VAL 61 2HG1 VAL 61 -1.059 -2.673 -13.087 260 3HG1 VAL 61 3HG1 VAL 61 -0.882 -1.161 -13.977 261 1HG2 VAL 61 1HG2 VAL 61 -3.853 -1.944 -15.425 262 2HG2 VAL 61 2HG2 VAL 61 -2.967 -0.430 -15.258 263 3HG2 VAL 61 3HG2 VAL 61 -4.528 -0.629 -14.463 264 H THR 62 H THR 62 -2.463 -5.120 -12.508 265 HA THR 62 HA THR 62 -2.367 -4.724 -9.600 266 HB THR 62 HB THR 62 -1.228 -7.056 -11.144 267 HG1 THR 62 HG1 THR 62 -3.271 -8.003 -10.854 268 1HG2 THR 62 1HG2 THR 62 -0.543 -7.253 -8.928 269 2HG2 THR 62 2HG2 THR 62 -2.065 -8.144 -8.908 270 3HG2 THR 62 3HG2 THR 62 -2.005 -6.488 -8.303 271 H VAL 63 H VAL 63 -0.320 -5.027 -8.431 272 HA VAL 63 HA VAL 63 2.156 -4.526 -9.984 273 HB VAL 63 HB VAL 63 1.278 -2.797 -7.654 274 1HG1 VAL 63 1HG1 VAL 63 3.734 -3.143 -7.888 275 2HG1 VAL 63 2HG1 VAL 63 3.266 -1.473 -8.215 276 3HG1 VAL 63 3HG1 VAL 63 3.636 -2.563 -9.552 277 1HG2 VAL 63 1HG2 VAL 63 -0.060 -2.286 -9.621 278 2HG2 VAL 63 2HG2 VAL 63 1.386 -2.241 -10.630 279 3HG2 VAL 63 3HG2 VAL 63 1.133 -1.007 -9.395 280 H GLN 64 H GLN 64 3.214 -6.367 -9.297 281 HA GLN 64 HA GLN 64 3.327 -6.820 -6.351 282 1HB GLN 64 2HB GLN 64 3.640 -9.222 -6.823 283 2HB GLN 64 1HB GLN 64 2.126 -8.636 -7.508 284 1HG GLN 64 2HG GLN 64 3.800 -8.202 -9.607 285 2HG GLN 64 1HG GLN 64 4.572 -9.603 -8.882 286 1HE2 GLN 64 1HE2 GLN 64 2.507 -8.976 -11.291 287 2HE2 GLN 64 2HE2 GLN 64 1.451 -10.300 -11.175 288 H LEU 65 H LEU 65 5.279 -6.383 -5.518 289 HA LEU 65 HA LEU 65 7.629 -6.322 -7.294 290 1HB LEU 65 2HB LEU 65 8.721 -5.208 -5.376 291 2HB LEU 65 1HB LEU 65 7.258 -4.375 -5.881 292 HG LEU 65 HG LEU 65 6.507 -6.357 -3.953 293 1HD1 LEU 65 1HD1 LEU 65 8.537 -6.493 -2.855 294 2HD1 LEU 65 2HD1 LEU 65 7.856 -5.081 -2.046 295 3HD1 LEU 65 3HD1 LEU 65 9.031 -4.872 -3.345 296 1HD2 LEU 65 1HD2 LEU 65 5.952 -4.223 -2.635 297 2HD2 LEU 65 2HD2 LEU 65 5.215 -4.372 -4.230 298 3HD2 LEU 65 3HD2 LEU 65 6.622 -3.335 -4.004 299 H GLU 66 H GLU 66 9.311 -7.740 -7.127 300 HA GLU 66 HA GLU 66 9.258 -9.709 -4.876 301 1HB GLU 66 2HB GLU 66 10.151 -10.459 -7.653 302 2HB GLU 66 1HB GLU 66 9.685 -11.524 -6.334 303 1HG GLU 66 2HG GLU 66 7.818 -9.698 -7.882 304 2HG GLU 66 1HG GLU 66 7.928 -11.447 -8.063 305 H GLN 67 H GLN 67 11.538 -10.958 -5.017 306 HA GLN 67 HA GLN 67 13.713 -9.159 -5.874 307 1HB GLN 67 2HB GLN 67 12.896 -9.568 -3.050 308 2HB GLN 67 1HB GLN 67 14.626 -9.700 -3.367 309 1HG GLN 67 2HG GLN 67 14.828 -7.487 -3.955 310 2HG GLN 67 1HG GLN 67 13.198 -7.405 -4.620 311 1HE2 GLN 67 1HE2 GLN 67 11.462 -7.909 -2.687 312 2HE2 GLN 67 2HE2 GLN 67 11.722 -6.980 -1.289 313 H LYS 68 H LYS 68 15.771 -10.244 -5.948 314 HA LYS 68 HA LYS 68 15.519 -13.217 -5.900 315 1HB LYS 68 2HB LYS 68 17.118 -11.311 -7.557 316 2HB LYS 68 1HB LYS 68 17.726 -12.943 -7.309 317 1HG LYS 68 2HG LYS 68 16.124 -13.877 -8.628 318 2HG LYS 68 1HG LYS 68 14.863 -12.801 -8.024 319 1HD LYS 68 2HD LYS 68 15.262 -12.327 -10.386 320 2HD LYS 68 1HD LYS 68 15.814 -10.963 -9.415 321 1HE LYS 68 2HE LYS 68 17.585 -11.325 -10.936 322 2HE LYS 68 1HE LYS 68 18.126 -12.121 -9.459 323 1HZ LYS 68 1HZ LYS 68 18.499 -13.681 -11.124 324 2HZ LYS 68 2HZ LYS 68 17.036 -13.342 -11.917 325 3HZ LYS 68 3HZ LYS 68 17.029 -14.183 -10.441 326 H ASP 69 H ASP 69 17.865 -14.216 -5.552 327 HA ASP 69 HA ASP 69 18.715 -13.349 -2.910 328 1HB ASP 69 2HB ASP 69 19.278 -15.655 -4.710 329 2HB ASP 69 1HB ASP 69 20.491 -15.265 -3.490 330 H GLY 70 H GLY 70 19.628 -12.500 -6.091 331 1HA GLY 70 2HA GLY 70 22.415 -11.858 -5.303 332 2HA GLY 70 1HA GLY 70 21.768 -11.779 -6.941 333 H ASP 71 H ASP 71 20.089 -10.401 -4.181 334 HA ASP 71 HA ASP 71 19.488 -8.195 -3.688 335 1HB ASP 71 2HB ASP 71 22.262 -7.864 -4.815 336 2HB ASP 71 1HB ASP 71 21.303 -6.455 -4.367 337 H ILE 72 H ILE 72 18.244 -9.201 -5.872 338 HA ILE 72 HA ILE 72 18.185 -6.876 -7.750 339 HB ILE 72 HB ILE 72 17.603 -9.737 -8.529 340 1HG1 ILE 72 2HG1 ILE 72 20.191 -8.164 -8.677 341 2HG1 ILE 72 1HG1 ILE 72 19.923 -9.687 -7.845 342 1HG2 ILE 72 1HG2 ILE 72 17.611 -8.909 -10.750 343 2HG2 ILE 72 2HG2 ILE 72 18.382 -7.398 -10.266 344 3HG2 ILE 72 3HG2 ILE 72 16.703 -7.711 -9.825 345 1HD1 ILE 72 1HD1 ILE 72 19.559 -10.838 -9.970 346 2HD1 ILE 72 2HD1 ILE 72 21.110 -10.001 -10.012 347 3HD1 ILE 72 3HD1 ILE 72 19.716 -9.317 -10.849 348 H SER 73 H SER 73 16.121 -6.125 -8.258 349 HA SER 73 HA SER 73 13.883 -7.401 -6.752 350 1HB SER 73 2HB SER 73 14.380 -4.585 -7.711 351 2HB SER 73 1HB SER 73 12.766 -5.123 -7.254 352 HG SER 73 HG SER 73 15.027 -4.681 -5.705 353 H ILE 74 H ILE 74 11.962 -7.931 -7.812 354 HA ILE 74 HA ILE 74 11.998 -7.695 -10.799 355 HB ILE 74 HB ILE 74 10.633 -9.948 -9.356 356 1HG1 ILE 74 2HG1 ILE 74 12.969 -10.008 -8.562 357 2HG1 ILE 74 1HG1 ILE 74 12.651 -11.348 -9.656 358 1HG2 ILE 74 1HG2 ILE 74 11.515 -9.309 -12.123 359 2HG2 ILE 74 2HG2 ILE 74 10.006 -10.028 -11.561 360 3HG2 ILE 74 3HG2 ILE 74 11.475 -11.003 -11.636 361 1HD1 ILE 74 1HD1 ILE 74 14.337 -10.660 -10.970 362 2HD1 ILE 74 2HD1 ILE 74 14.628 -9.296 -9.892 363 3HD1 ILE 74 3HD1 ILE 74 13.501 -9.134 -11.238 364 H LEU 75 H LEU 75 10.686 -5.714 -10.407 365 HA LEU 75 HA LEU 75 8.117 -6.005 -9.086 366 1HB LEU 75 2HB LEU 75 9.422 -3.858 -9.115 367 2HB LEU 75 1HB LEU 75 9.068 -3.727 -10.835 368 HG LEU 75 HG LEU 75 6.729 -4.235 -9.080 369 1HD1 LEU 75 1HD1 LEU 75 6.570 -1.905 -8.360 370 2HD1 LEU 75 2HD1 LEU 75 8.104 -1.533 -9.143 371 3HD1 LEU 75 3HD1 LEU 75 8.065 -2.610 -7.748 372 1HD2 LEU 75 1HD2 LEU 75 6.995 -3.666 -11.678 373 2HD2 LEU 75 2HD2 LEU 75 6.957 -2.012 -11.067 374 3HD2 LEU 75 3HD2 LEU 75 5.604 -3.100 -10.753 375 H GLU 76 H GLU 76 6.494 -7.064 -10.036 376 HA GLU 76 HA GLU 76 6.236 -6.955 -13.013 377 1HB GLU 76 2HB GLU 76 4.850 -8.894 -11.148 378 2HB GLU 76 1HB GLU 76 5.052 -9.030 -12.893 379 1HG GLU 76 2HG GLU 76 7.388 -9.472 -12.690 380 2HG GLU 76 1HG GLU 76 7.414 -8.968 -11.002 381 H LEU 77 H LEU 77 4.447 -5.904 -13.847 382 HA LEU 77 HA LEU 77 2.249 -5.264 -11.923 383 1HB LEU 77 2HB LEU 77 1.905 -3.142 -13.224 384 2HB LEU 77 1HB LEU 77 3.432 -3.202 -12.348 385 HG LEU 77 HG LEU 77 3.422 -4.201 -15.160 386 1HD1 LEU 77 1HD1 LEU 77 4.012 -1.633 -15.633 387 2HD1 LEU 77 2HD1 LEU 77 2.864 -1.399 -14.315 388 3HD1 LEU 77 3HD1 LEU 77 2.367 -2.252 -15.776 389 1HD2 LEU 77 1HD2 LEU 77 5.563 -4.325 -14.321 390 2HD2 LEU 77 2HD2 LEU 77 5.292 -3.022 -13.164 391 3HD2 LEU 77 3HD2 LEU 77 5.605 -2.645 -14.858 392 H ASN 78 H ASN 78 0.351 -6.109 -12.535 393 HA ASN 78 HA ASN 78 0.069 -7.241 -15.242 394 1HB ASN 78 2HB ASN 78 -1.932 -7.272 -12.979 395 2HB ASN 78 1HB ASN 78 -1.857 -8.351 -14.362 396 1HD2 ASN 78 1HD2 ASN 78 -0.977 -10.357 -13.826 397 2HD2 ASN 78 2HD2 ASN 78 0.233 -10.611 -12.675 398 H VAL 79 H VAL 79 -1.409 -6.473 -16.745 399 HA VAL 79 HA VAL 79 -2.906 -3.999 -15.978 400 HB VAL 79 HB VAL 79 -1.779 -4.598 -18.724 401 1HG1 VAL 79 1HG1 VAL 79 -2.592 -1.946 -17.538 402 2HG1 VAL 79 2HG1 VAL 79 -3.771 -3.001 -18.316 403 3HG1 VAL 79 3HG1 VAL 79 -2.404 -2.374 -19.238 404 1HG2 VAL 79 1HG2 VAL 79 -0.004 -4.330 -16.934 405 2HG2 VAL 79 2HG2 VAL 79 -0.652 -2.720 -16.622 406 3HG2 VAL 79 3HG2 VAL 79 0.049 -3.100 -18.196 407 H THR 80 H THR 80 -4.927 -4.894 -15.688 408 HA THR 80 HA THR 80 -5.985 -6.846 -17.615 409 HB THR 80 HB THR 80 -7.393 -5.482 -15.306 410 HG1 THR 80 HG1 THR 80 -6.138 -8.019 -15.370 411 1HG2 THR 80 1HG2 THR 80 -8.112 -7.564 -17.273 412 2HG2 THR 80 2HG2 THR 80 -9.152 -6.504 -16.323 413 3HG2 THR 80 3HG2 THR 80 -8.485 -7.967 -15.598 414 H LEU 81 H LEU 81 -6.077 -5.580 -19.552 415 HA LEU 81 HA LEU 81 -7.513 -3.059 -19.637 416 1HB LEU 81 2HB LEU 81 -6.739 -4.926 -21.901 417 2HB LEU 81 1HB LEU 81 -7.189 -3.231 -22.052 418 HG LEU 81 HG LEU 81 -4.976 -3.818 -20.162 419 1HD1 LEU 81 1HD1 LEU 81 -4.785 -4.220 -23.150 420 2HD1 LEU 81 2HD1 LEU 81 -4.238 -5.300 -21.869 421 3HD1 LEU 81 3HD1 LEU 81 -3.380 -3.790 -22.175 422 1HD2 LEU 81 1HD2 LEU 81 -5.037 -1.806 -22.404 423 2HD2 LEU 81 2HD2 LEU 81 -4.233 -1.691 -20.839 424 3HD2 LEU 81 3HD2 LEU 81 -5.988 -1.540 -20.943 425 HA PRO 82 HA PRO 82 -11.524 -5.080 -20.080 426 1HB PRO 82 2HB PRO 82 -13.007 -2.801 -20.308 427 2HB PRO 82 1HB PRO 82 -12.338 -3.369 -18.771 428 1HG PRO 82 2HG PRO 82 -11.527 -1.075 -20.426 429 2HG PRO 82 1HG PRO 82 -11.255 -1.375 -18.705 430 1HD PRO 82 2HD PRO 82 -9.384 -1.715 -20.848 431 2HD PRO 82 1HD PRO 82 -9.149 -2.092 -19.129 432 H GLU 83 H GLU 83 -13.432 -4.916 -21.680 433 HA GLU 83 HA GLU 83 -12.502 -5.143 -24.364 434 1HB GLU 83 2HB GLU 83 -15.038 -5.357 -22.941 435 2HB GLU 83 1HB GLU 83 -15.254 -4.613 -24.522 436 1HG GLU 83 2HG GLU 83 -13.825 -6.527 -25.450 437 2HG GLU 83 1HG GLU 83 -14.055 -7.311 -23.888 438 H ALA 84 H ALA 84 -14.221 -3.722 -25.976 439 HA ALA 84 HA ALA 84 -14.502 -0.962 -25.359 440 1HB ALA 84 1HB ALA 84 -12.592 -0.357 -27.147 441 2HB ALA 84 2HB ALA 84 -11.877 -1.824 -26.478 442 3HB ALA 84 3HB ALA 84 -12.252 -0.464 -25.420 443 H GLU 85 H GLU 85 -15.829 -0.065 -26.895 444 HA GLU 85 HA GLU 85 -15.763 -0.639 -29.682 445 1HB GLU 85 2HB GLU 85 -17.870 -1.985 -29.847 446 2HB GLU 85 1HB GLU 85 -16.548 -2.864 -29.080 447 1HG GLU 85 2HG GLU 85 -17.636 -1.754 -26.883 448 2HG GLU 85 1HG GLU 85 -19.078 -1.833 -27.895 449 H GLU 86 H GLU 86 -16.170 1.546 -29.963 450 HA GLU 86 HA GLU 86 -17.436 3.513 -30.124 451 1HB GLU 86 2HB GLU 86 -19.098 1.618 -30.938 452 2HB GLU 86 1HB GLU 86 -19.927 1.997 -29.429 453 1HG GLU 86 2HG GLU 86 -20.526 4.105 -30.122 454 2HG GLU 86 1HG GLU 86 -19.081 4.301 -31.116 455 H LEU 87 H LEU 87 -16.350 2.670 -27.526 456 HA LEU 87 HA LEU 87 -18.348 3.962 -25.709 457 1HB LEU 87 2HB LEU 87 -17.699 1.559 -25.200 458 2HB LEU 87 1HB LEU 87 -16.067 2.148 -24.882 459 HG LEU 87 HG LEU 87 -17.120 3.791 -23.240 460 1HD1 LEU 87 1HD1 LEU 87 -19.390 3.890 -23.635 461 2HD1 LEU 87 2HD1 LEU 87 -19.383 2.638 -22.393 462 3HD1 LEU 87 3HD1 LEU 87 -19.490 2.191 -24.095 463 1HD2 LEU 87 1HD2 LEU 87 -17.310 2.083 -21.467 464 2HD2 LEU 87 2HD2 LEU 87 -15.944 1.734 -22.525 465 3HD2 LEU 87 3HD2 LEU 87 -17.444 0.823 -22.693 466 H LYS 88 HN LYS 88 -17.758 5.937 -24.973 467 HA LYS 88 HA LYS 88 -14.849 6.578 -24.772 468 1HB LYS 88 2HB LYS 88 -16.345 7.555 -26.814 469 2HB LYS 88 1HB LYS 88 -16.658 8.787 -25.592 470 1HG LYS 88 2HG LYS 88 -13.864 7.839 -26.260 471 2HG LYS 88 1HG LYS 88 -14.628 9.194 -27.090 472 1HD LYS 88 2HD LYS 88 -13.709 10.425 -25.404 473 2HD LYS 88 1HD LYS 88 -15.111 9.867 -24.491 474 1HE LYS 88 2HE LYS 88 -13.772 7.907 -23.712 475 2HE LYS 88 1HE LYS 88 -12.367 8.576 -24.542 476 1HZ LYS 88 1HZ LYS 88 -12.788 10.649 -23.191 477 2HZ LYS 88 2HZ LYS 88 -12.203 9.301 -22.337 478 3HZ LYS 88 3HZ LYS 88 -13.848 9.717 -22.249 479 1H ARG 31 1H ARG 31 4.913 -10.670 -34.059 480 2H ARG 31 2H ARG 31 3.271 -10.429 -34.421 481 3H ARG 31 3H ARG 31 3.792 -11.910 -33.771 482 HA ARG 31 HA ARG 31 4.066 -11.078 -31.665 483 1HB ARG 31 2HB ARG 31 4.153 -8.568 -31.281 484 2HB ARG 31 1HB ARG 31 5.533 -9.241 -32.145 485 1HG ARG 31 2HG ARG 31 3.353 -8.462 -33.948 486 2HG ARG 31 1HG ARG 31 3.964 -7.108 -33.000 487 1HD ARG 31 2HD ARG 31 5.928 -8.968 -34.295 488 2HD ARG 31 1HD ARG 31 5.119 -7.753 -35.287 489 HE ARG 31 HE ARG 31 6.028 -6.302 -33.122 490 1HH1 ARG 31 1HH2 ARG 31 7.537 -8.502 -35.385 491 2HH1 ARG 31 2HH2 ARG 31 9.075 -7.719 -35.274 492 1HH2 ARG 31 1HH1 ARG 31 8.034 -5.319 -33.011 493 2HH2 ARG 31 2HH1 ARG 31 9.355 -5.937 -33.946 494 H SER 32 H SER 32 2.135 -11.518 -30.760 495 HA SER 32 HA SER 32 -0.387 -10.850 -31.898 496 1HB SER 32 2HB SER 32 0.164 -11.448 -28.984 497 2HB SER 32 1HB SER 32 -1.355 -11.673 -29.847 498 HG SER 32 HG SER 32 -0.625 -13.558 -30.385 499 H ASP 33 H ASP 33 1.798 -8.931 -30.024 500 HA ASP 33 HA ASP 33 -0.289 -7.133 -29.046 501 1HB ASP 33 2HB ASP 33 2.707 -6.734 -28.986 502 2HB ASP 33 1HB ASP 33 1.504 -5.886 -28.016 503 H ALA 34 H ALA 34 0.616 -7.555 -32.075 504 HA ALA 34 HA ALA 34 1.258 -4.776 -32.759 505 1HB ALA 34 1HB ALA 34 2.462 -6.337 -34.073 506 2HB ALA 34 2HB ALA 34 1.175 -5.766 -35.136 507 3HB ALA 34 3HB ALA 34 1.032 -7.333 -34.341 508 H GLU 35 H GLU 35 -1.523 -6.746 -32.375 509 HA GLU 35 HA GLU 35 -3.246 -5.707 -34.373 510 1HB GLU 35 2HB GLU 35 -4.084 -6.568 -31.594 511 2HB GLU 35 1HB GLU 35 -5.066 -6.568 -33.052 512 1HG GLU 35 2HG GLU 35 -2.585 -8.084 -33.402 513 2HG GLU 35 1HG GLU 35 -3.570 -8.714 -32.084 514 HA PRO 36 HA PRO 36 -4.498 -2.239 -31.317 515 1HB PRO 36 2HB PRO 36 -3.056 -1.900 -29.024 516 2HB PRO 36 1HB PRO 36 -4.440 -2.995 -29.150 517 1HG PRO 36 2HG PRO 36 -1.584 -3.622 -28.907 518 2HG PRO 36 1HG PRO 36 -2.994 -4.637 -28.573 519 1HD PRO 36 2HD PRO 36 -1.305 -4.677 -30.895 520 2HD PRO 36 1HD PRO 36 -2.717 -5.687 -30.563 521 H HIS 37 H HIS 37 -0.956 -2.698 -31.112 522 HA HIS 37 HA HIS 37 0.791 -1.374 -31.927 523 1HB HIS 37 2HB HIS 37 -0.968 -0.780 -33.762 524 2HB HIS 37 1HB HIS 37 -1.137 0.734 -32.872 525 HD1 HIS 37 HD1 HIS 37 1.519 -1.359 -34.604 526 HD2 HIS 37 HD2 HIS 37 0.936 2.555 -33.292 527 HE1 HIS 37 HE1 HIS 37 3.486 -0.017 -35.462 528 H TYR 38 H TYR 38 -1.354 -0.521 -29.513 529 HA TYR 38 HA TYR 38 0.343 1.808 -28.737 530 1HB TYR 38 2HB TYR 38 -1.649 2.488 -27.306 531 2HB TYR 38 1HB TYR 38 -1.886 2.634 -29.045 532 HD1 TYR 38 HD1 TYR 38 -2.718 0.663 -26.033 533 HD2 TYR 38 HD2 TYR 38 -3.406 1.173 -30.242 534 HE1 TYR 38 HE1 TYR 38 -4.686 -0.840 -25.894 535 HE2 TYR 38 HE2 TYR 38 -5.372 -0.331 -30.104 536 HH TYR 38 HH TYR 38 -6.989 -1.013 -27.573 537 H LEU 39 H LEU 39 -1.206 -1.187 -27.711 538 HA LEU 39 HA LEU 39 -0.664 -1.176 -24.956 539 1HB LEU 39 2HB LEU 39 -1.485 -3.064 -26.899 540 2HB LEU 39 1HB LEU 39 -0.106 -3.790 -26.081 541 HG LEU 39 HG LEU 39 -2.163 -4.385 -24.899 542 1HD1 LEU 39 1HD1 LEU 39 0.077 -3.401 -23.708 543 2HD1 LEU 39 2HD1 LEU 39 -1.290 -4.067 -22.813 544 3HD1 LEU 39 3HD1 LEU 39 -1.143 -2.322 -23.029 545 1HD2 LEU 39 1HD2 LEU 39 -3.473 -2.406 -25.685 546 2HD2 LEU 39 2HD2 LEU 39 -2.581 -1.400 -24.543 547 3HD2 LEU 39 3HD2 LEU 39 -3.631 -2.685 -23.952 548 HA PRO 40 HA PRO 40 3.749 -2.902 -25.848 549 1HB PRO 40 2HB PRO 40 4.679 -2.788 -28.419 550 2HB PRO 40 1HB PRO 40 3.835 -4.186 -27.739 551 1HG PRO 40 2HG PRO 40 2.852 -2.126 -29.630 552 2HG PRO 40 1HG PRO 40 2.396 -3.825 -29.467 553 1HD PRO 40 2HD PRO 40 0.910 -1.654 -28.539 554 2HD PRO 40 1HD PRO 40 0.699 -3.340 -28.018 555 H GLN 41 H GLN 41 2.498 -0.054 -27.383 556 HA GLN 41 HA GLN 41 5.012 1.400 -27.547 557 1HB GLN 41 2HB GLN 41 3.086 2.046 -28.941 558 2HB GLN 41 1HB GLN 41 2.122 2.348 -27.498 559 1HG GLN 41 2HG GLN 41 2.962 4.470 -28.355 560 2HG GLN 41 1HG GLN 41 3.758 4.111 -26.822 561 1HE2 GLN 41 1HE2 GLN 41 5.795 5.111 -27.198 562 2HE2 GLN 41 2HE2 GLN 41 6.841 4.657 -28.455 563 H LEU 42 H LEU 42 2.412 0.987 -25.202 564 HA LEU 42 HA LEU 42 3.361 2.990 -23.377 565 1HB LEU 42 2HB LEU 42 1.550 0.603 -22.938 566 2HB LEU 42 1HB LEU 42 1.842 1.846 -21.753 567 HG LEU 42 HG LEU 42 0.224 3.138 -22.627 568 1HD1 LEU 42 1HD1 LEU 42 1.927 3.953 -24.318 569 2HD1 LEU 42 2HD1 LEU 42 0.249 4.071 -24.833 570 3HD1 LEU 42 3HD1 LEU 42 1.264 2.773 -25.446 571 1HD2 LEU 42 1HD2 LEU 42 -1.090 2.067 -24.639 572 2HD2 LEU 42 2HD2 LEU 42 -1.135 1.309 -23.047 573 3HD2 LEU 42 3HD2 LEU 42 -0.068 0.670 -24.297 574 H ARG 43 H ARG 43 3.493 -0.601 -23.277 575 HA ARG 43 HA ARG 43 5.046 -0.905 -20.978 576 1HB ARG 43 2HB ARG 43 5.719 -3.058 -21.829 577 2HB ARG 43 1HB ARG 43 4.069 -2.763 -22.338 578 1HG ARG 43 2HG ARG 43 4.906 -2.011 -24.545 579 2HG ARG 43 1HG ARG 43 6.546 -2.407 -24.039 580 1HD ARG 43 2HD ARG 43 5.649 -4.761 -23.536 581 2HD ARG 43 1HD ARG 43 4.224 -4.290 -24.462 582 HE ARG 43 HE ARG 43 6.714 -3.786 -25.888 583 1HH1 ARG 43 1HH2 ARG 43 4.279 -6.177 -25.125 584 2HH1 ARG 43 2HH2 ARG 43 4.609 -7.111 -26.541 585 1HH2 ARG 43 2HH1 ARG 43 7.109 -5.025 -27.706 586 2HH2 ARG 43 1HH1 ARG 43 6.193 -6.468 -27.990 587 H LYS 44 H LYS 44 6.253 -0.261 -24.292 588 HA LYS 44 HA LYS 44 8.997 -0.325 -23.520 589 1HB LYS 44 2HB LYS 44 9.433 0.808 -25.652 590 2HB LYS 44 1HB LYS 44 8.281 -0.497 -25.882 591 1HG LYS 44 2HG LYS 44 6.444 1.031 -25.975 592 2HG LYS 44 1HG LYS 44 7.444 2.376 -25.433 593 1HD LYS 44 2HD LYS 44 7.171 2.583 -27.826 594 2HD LYS 44 1HD LYS 44 8.832 2.077 -27.515 595 1HE LYS 44 2HE LYS 44 8.174 -0.279 -27.936 596 2HE LYS 44 1HE LYS 44 6.537 0.261 -28.309 597 1HZ LYS 44 1HZ LYS 44 7.752 1.807 -29.966 598 2HZ LYS 44 2HZ LYS 44 7.502 0.178 -30.376 599 3HZ LYS 44 3HZ LYS 44 9.022 0.693 -29.821 600 H ASP 45 H ASP 45 6.474 2.118 -23.314 601 HA ASP 45 HA ASP 45 8.193 4.369 -22.912 602 1HB ASP 45 2HB ASP 45 5.364 3.867 -21.946 603 2HB ASP 45 1HB ASP 45 6.194 5.406 -21.840 604 H ILE 46 H ILE 46 6.600 2.131 -20.573 605 HA ILE 46 HA ILE 46 7.642 3.353 -18.224 606 HB ILE 46 HB ILE 46 5.907 1.413 -18.476 607 1HG1 ILE 46 2HG1 ILE 46 6.434 0.738 -16.118 608 2HG1 ILE 46 1HG1 ILE 46 7.941 1.638 -16.257 609 1HG2 ILE 46 1HG2 ILE 46 6.593 -0.753 -18.545 610 2HG2 ILE 46 2HG2 ILE 46 8.048 -0.428 -17.604 611 3HG2 ILE 46 3HG2 ILE 46 8.016 -0.072 -19.327 612 1HD1 ILE 46 1HD1 ILE 46 6.831 3.514 -15.727 613 2HD1 ILE 46 2HD1 ILE 46 5.313 2.624 -15.685 614 3HD1 ILE 46 3HD1 ILE 46 5.870 3.343 -17.194 615 H LEU 47 H LEU 47 9.143 1.126 -20.518 616 HA LEU 47 HA LEU 47 11.467 0.498 -18.973 617 1HB LEU 47 2HB LEU 47 10.873 0.599 -21.927 618 2HB LEU 47 1HB LEU 47 12.504 0.268 -21.352 619 HG LEU 47 HG LEU 47 10.266 -1.278 -20.123 620 1HD1 LEU 47 1HD1 LEU 47 10.872 -2.943 -22.136 621 2HD1 LEU 47 2HD1 LEU 47 11.109 -1.413 -22.981 622 3HD1 LEU 47 3HD1 LEU 47 9.548 -1.784 -22.252 623 1HD2 LEU 47 1HD2 LEU 47 12.550 -1.597 -19.325 624 2HD2 LEU 47 2HD2 LEU 47 13.116 -1.886 -20.971 625 3HD2 LEU 47 3HD2 LEU 47 12.039 -3.045 -20.191 626 H GLU 48 H GLU 48 10.716 3.115 -21.242 627 HA GLU 48 HA GLU 48 13.283 4.428 -20.958 628 1HB GLU 48 2HB GLU 48 10.866 6.023 -21.712 629 2HB GLU 48 1HB GLU 48 12.486 6.065 -22.397 630 1HG GLU 48 2HG GLU 48 11.664 3.524 -23.063 631 2HG GLU 48 1HG GLU 48 10.163 4.427 -23.154 632 H VAL 49 H VAL 49 10.108 4.673 -19.466 633 HA VAL 49 HA VAL 49 10.540 7.021 -17.910 634 HB VAL 49 HB VAL 49 8.864 4.589 -17.202 635 1HG1 VAL 49 1HG1 VAL 49 7.684 6.011 -15.714 636 2HG1 VAL 49 2HG1 VAL 49 8.406 7.466 -16.400 637 3HG1 VAL 49 3HG1 VAL 49 9.384 6.374 -15.420 638 1HG2 VAL 49 1HG2 VAL 49 8.621 6.203 -19.450 639 2HG2 VAL 49 2HG2 VAL 49 7.517 6.961 -18.304 640 3HG2 VAL 49 3HG2 VAL 49 7.319 5.261 -18.726 641 H ILE 50 H ILE 50 10.764 3.583 -16.874 642 HA ILE 50 HA ILE 50 12.030 4.057 -14.381 643 HB ILE 50 HB ILE 50 12.483 1.707 -16.249 644 1HG1 ILE 50 2HG1 ILE 50 10.603 1.594 -13.940 645 2HG1 ILE 50 1HG1 ILE 50 10.067 2.496 -15.358 646 1HG2 ILE 50 1HG2 ILE 50 14.080 1.982 -14.306 647 2HG2 ILE 50 2HG2 ILE 50 13.134 0.494 -14.269 648 3HG2 ILE 50 3HG2 ILE 50 12.689 1.849 -13.230 649 1HD1 ILE 50 1HD1 ILE 50 11.029 -0.379 -15.325 650 2HD1 ILE 50 2HD1 ILE 50 10.595 0.520 -16.778 651 3HD1 ILE 50 3HD1 ILE 50 9.368 0.162 -15.562 652 H CYS 51 H CYS 51 13.273 4.240 -17.635 653 HA CYS 51 HA CYS 51 16.068 4.128 -16.929 654 1HB CYS 51 2HB CYS 51 14.937 3.752 -19.249 655 2HB CYS 51 1HB CYS 51 14.970 5.512 -19.371 656 HG CYS 51 HG CYS 51 17.669 5.186 -18.826 657 H LYS 52 H LYS 52 13.779 6.772 -17.640 658 HA LYS 52 HA LYS 52 15.578 8.943 -17.346 659 1HB LYS 52 2HB LYS 52 12.655 8.909 -16.547 660 2HB LYS 52 1HB LYS 52 13.619 10.335 -16.919 661 1HG LYS 52 2HG LYS 52 13.582 9.940 -19.186 662 2HG LYS 52 1HG LYS 52 13.493 8.191 -18.988 663 1HD LYS 52 2HD LYS 52 11.295 8.462 -19.531 664 2HD LYS 52 1HD LYS 52 11.122 8.972 -17.851 665 1HE LYS 52 2HE LYS 52 10.128 10.726 -19.082 666 2HE LYS 52 1HE LYS 52 11.742 11.332 -18.707 667 1HZ LYS 52 1HZ LYS 52 12.495 10.761 -20.868 668 2HZ LYS 52 2HZ LYS 52 11.041 11.617 -21.064 669 3HZ LYS 52 3HZ LYS 52 11.064 9.926 -21.229 670 H TYR 53 H TYR 53 13.867 7.049 -14.925 671 HA TYR 53 HA TYR 53 14.920 8.788 -12.765 672 1HB TYR 53 2HB TYR 53 12.912 6.513 -12.713 673 2HB TYR 53 1HB TYR 53 13.370 7.492 -11.333 674 HD1 TYR 53 HD1 TYR 53 11.971 9.275 -10.776 675 HD2 TYR 53 HD2 TYR 53 12.163 7.985 -14.862 676 HE1 TYR 53 HE1 TYR 53 10.204 10.906 -11.388 677 HE2 TYR 53 HE2 TYR 53 10.413 9.608 -15.474 678 HH TYR 53 HH TYR 53 8.427 10.775 -14.063 679 H VAL 54 H VAL 54 15.581 5.794 -14.355 680 HA VAL 54 HA VAL 54 17.677 5.173 -12.374 681 HB VAL 54 HB VAL 54 15.858 2.888 -13.130 682 1HG1 VAL 54 1HG1 VAL 54 17.517 1.893 -11.948 683 2HG1 VAL 54 2HG1 VAL 54 16.746 2.582 -10.523 684 3HG1 VAL 54 3HG1 VAL 54 18.088 3.427 -11.294 685 1HG2 VAL 54 1HG2 VAL 54 14.566 3.219 -11.046 686 2HG2 VAL 54 2HG2 VAL 54 14.344 4.583 -12.143 687 3HG2 VAL 54 3HG2 VAL 54 15.420 4.734 -10.754 688 H GLN 55 H GLN 55 17.640 2.334 -13.867 689 HA GLN 55 HA GLN 55 18.127 2.939 -16.625 690 1HB GLN 55 2HB GLN 55 20.232 3.637 -14.849 691 2HB GLN 55 1HB GLN 55 20.756 2.198 -15.721 692 1HG GLN 55 2HG GLN 55 19.912 3.424 -17.842 693 2HG GLN 55 1HG GLN 55 19.939 4.875 -16.841 694 1HE2 GLN 55 1HE2 GLN 55 21.905 2.726 -18.700 695 2HE2 GLN 55 2HE2 GLN 55 23.410 3.387 -18.276 696 H ILE 56 H ILE 56 17.332 1.055 -17.341 697 HA ILE 56 HA ILE 56 18.631 -1.470 -16.452 698 HB ILE 56 HB ILE 56 16.253 -2.510 -16.628 699 1HG1 ILE 56 2HG1 ILE 56 15.197 0.045 -15.566 700 2HG1 ILE 56 1HG1 ILE 56 15.536 0.049 -17.296 701 1HG2 ILE 56 1HG2 ILE 56 17.815 -1.798 -14.541 702 2HG2 ILE 56 2HG2 ILE 56 16.241 -2.569 -14.350 703 3HG2 ILE 56 3HG2 ILE 56 16.389 -0.818 -14.197 704 1HD1 ILE 56 1HD1 ILE 56 14.003 -1.668 -17.731 705 2HD1 ILE 56 2HD1 ILE 56 13.187 -0.765 -16.455 706 3HD1 ILE 56 3HD1 ILE 56 14.044 -2.258 -16.069 707 H ASP 57 H ASP 57 18.032 -3.279 -18.017 708 HA ASP 57 HA ASP 57 17.977 -2.158 -20.775 709 1HB ASP 57 2HB ASP 57 19.060 -4.674 -19.545 710 2HB ASP 57 1HB ASP 57 18.638 -4.671 -21.257 711 HA PRO 58 HA PRO 58 13.986 -3.913 -21.550 712 1HB PRO 58 2HB PRO 58 14.203 -4.752 -24.145 713 2HB PRO 58 1HB PRO 58 14.080 -3.047 -23.679 714 1HG PRO 58 2HG PRO 58 16.455 -4.596 -24.567 715 2HG PRO 58 1HG PRO 58 16.070 -2.885 -24.803 716 1HD PRO 58 2HD PRO 58 17.868 -3.873 -22.913 717 2HD PRO 58 1HD PRO 58 17.108 -2.267 -22.858 718 H GLU 59 H GLU 59 16.780 -5.916 -22.282 719 HA GLU 59 HA GLU 59 15.346 -8.422 -22.449 720 1HB GLU 59 2HB GLU 59 18.237 -7.726 -21.880 721 2HB GLU 59 1HB GLU 59 17.656 -9.390 -21.950 722 1HG GLU 59 2HG GLU 59 16.890 -9.072 -24.243 723 2HG GLU 59 1HG GLU 59 17.332 -7.366 -24.185 724 H MET 60 H MET 60 16.033 -6.310 -19.827 725 HA MET 60 HA MET 60 16.041 -8.478 -17.821 726 1HB MET 60 2HB MET 60 16.447 -5.488 -17.730 727 2HB MET 60 1HB MET 60 16.155 -6.410 -16.259 728 1HG MET 60 2HG MET 60 18.105 -7.748 -16.584 729 2HG MET 60 1HG MET 60 18.298 -7.182 -18.244 730 1HE MET 60 1HE MET 60 18.079 -6.552 -14.706 731 2HE MET 60 2HE MET 60 17.716 -4.830 -14.785 732 3HE MET 60 3HE MET 60 19.319 -5.363 -14.288 733 H VAL 61 H VAL 61 13.828 -6.274 -19.344 734 HA VAL 61 HA VAL 61 11.826 -6.668 -17.186 735 HB VAL 61 HB VAL 61 11.662 -4.944 -19.677 736 1HG1 VAL 61 1HG1 VAL 61 10.048 -4.743 -17.128 737 2HG1 VAL 61 2HG1 VAL 61 9.516 -5.716 -18.499 738 3HG1 VAL 61 3HG1 VAL 61 9.726 -3.974 -18.683 739 1HG2 VAL 61 1HG2 VAL 61 12.557 -4.366 -16.846 740 2HG2 VAL 61 2HG2 VAL 61 12.002 -3.092 -17.933 741 3HG2 VAL 61 3HG2 VAL 61 13.426 -4.047 -18.347 742 H THR 62 H THR 62 10.325 -8.264 -17.432 743 HA THR 62 HA THR 62 10.113 -9.643 -20.015 744 HB THR 62 HB THR 62 8.615 -10.315 -17.480 745 HG1 THR 62 HG1 THR 62 10.386 -11.659 -17.015 746 1HG2 THR 62 1HG2 THR 62 7.752 -11.626 -19.200 747 2HG2 THR 62 2HG2 THR 62 9.046 -12.656 -18.586 748 3HG2 THR 62 3HG2 THR 62 9.295 -11.705 -20.051 749 H VAL 63 H VAL 63 7.972 -10.133 -20.924 750 HA VAL 63 HA VAL 63 5.773 -8.304 -20.139 751 HB VAL 63 HB VAL 63 6.832 -8.508 -22.971 752 1HG1 VAL 63 1HG1 VAL 63 4.382 -8.120 -22.752 753 2HG1 VAL 63 2HG1 VAL 63 5.214 -6.723 -23.436 754 3HG1 VAL 63 3HG1 VAL 63 4.716 -6.712 -21.744 755 1HG2 VAL 63 1HG2 VAL 63 8.382 -7.237 -21.592 756 2HG2 VAL 63 2HG2 VAL 63 7.053 -6.303 -20.906 757 3HG2 VAL 63 3HG2 VAL 63 7.474 -6.119 -22.609 758 H GLN 64 H GLN 64 4.303 -9.921 -19.685 759 HA GLN 64 HA GLN 64 3.892 -11.982 -21.803 760 1HB GLN 64 2HB GLN 64 3.110 -13.514 -20.034 761 2HB GLN 64 1HB GLN 64 4.757 -12.974 -19.719 762 1HG GLN 64 2HG GLN 64 3.364 -11.048 -18.399 763 2HG GLN 64 1HG GLN 64 2.264 -12.405 -18.215 764 1HE2 GLN 64 1HE2 GLN 64 4.578 -10.938 -16.496 765 2HE2 GLN 64 2HE2 GLN 64 5.319 -12.265 -15.739 766 H LEU 65 H LEU 65 2.023 -11.717 -22.868 767 HA LEU 65 HA LEU 65 -0.130 -10.127 -21.637 768 1HB LEU 65 2HB LEU 65 -1.093 -10.152 -23.914 769 2HB LEU 65 1HB LEU 65 0.545 -9.515 -23.893 770 HG LEU 65 HG LEU 65 0.723 -12.355 -24.231 771 1HD1 LEU 65 1HD1 LEU 65 -1.361 -12.675 -25.179 772 2HD1 LEU 65 2HD1 LEU 65 -0.455 -12.192 -26.613 773 3HD1 LEU 65 3HD1 LEU 65 -1.465 -11.017 -25.770 774 1HD2 LEU 65 1HD2 LEU 65 1.624 -11.579 -26.508 775 2HD2 LEU 65 2HD2 LEU 65 2.423 -10.915 -25.082 776 3HD2 LEU 65 3HD2 LEU 65 1.255 -9.939 -25.973 777 H GLU 66 H GLU 66 -2.083 -10.976 -21.056 778 HA GLU 66 HA GLU 66 -2.605 -13.848 -21.711 779 1HB GLU 66 2HB GLU 66 -3.441 -12.614 -19.094 780 2HB GLU 66 1HB GLU 66 -3.305 -14.319 -19.499 781 1HG GLU 66 2HG GLU 66 -0.989 -12.379 -19.194 782 2HG GLU 66 1HG GLU 66 -1.455 -13.616 -18.028 783 H GLN 67 H GLN 67 -5.082 -14.257 -21.024 784 HA GLN 67 HA GLN 67 -6.762 -11.888 -21.542 785 1HB GLN 67 2HB GLN 67 -6.248 -14.039 -23.521 786 2HB GLN 67 1HB GLN 67 -7.941 -13.590 -23.309 787 1HG GLN 67 2HG GLN 67 -7.629 -11.473 -24.149 788 2HG GLN 67 1HG GLN 67 -5.976 -11.363 -23.546 789 1HE2 GLN 67 1HE2 GLN 67 -4.525 -13.261 -24.689 790 2HE2 GLN 67 2HE2 GLN 67 -4.678 -13.301 -26.378 791 H LYS 68 H LYS 68 -8.993 -12.256 -20.989 792 HA LYS 68 HA LYS 68 -9.380 -14.660 -19.266 793 1HB LYS 68 2HB LYS 68 -10.420 -11.859 -19.160 794 2HB LYS 68 1HB LYS 68 -11.375 -13.151 -18.443 795 1HG LYS 68 2HG LYS 68 -9.920 -13.445 -16.720 796 2HG LYS 68 1HG LYS 68 -8.505 -13.226 -17.750 797 1HD LYS 68 2HD LYS 68 -8.628 -11.385 -16.152 798 2HD LYS 68 1HD LYS 68 -8.946 -10.771 -17.775 799 1HE LYS 68 2HE LYS 68 -10.642 -9.786 -16.459 800 2HE LYS 68 1HE LYS 68 -11.442 -11.161 -17.221 801 1HZ LYS 68 1HZ LYS 68 -12.019 -11.322 -14.989 802 2HZ LYS 68 2HZ LYS 68 -10.466 -10.903 -14.445 803 3HZ LYS 68 3HZ LYS 68 -10.742 -12.427 -15.141 804 H ASP 69 H ASP 69 -11.903 -15.146 -19.123 805 HA ASP 69 HA ASP 69 -12.732 -15.842 -21.822 806 1HB ASP 69 2HB ASP 69 -13.644 -16.466 -19.056 807 2HB ASP 69 1HB ASP 69 -14.829 -16.622 -20.353 808 H GLY 70 H GLY 70 -13.220 -13.117 -19.819 809 1HA GLY 70 2HA GLY 70 -15.856 -12.487 -21.027 810 2HA GLY 70 1HA GLY 70 -15.094 -11.602 -19.707 811 H ASP 71 H ASP 71 -13.359 -12.501 -22.625 812 HA ASP 71 HA ASP 71 -12.338 -11.196 -24.275 813 1HB ASP 71 2HB ASP 71 -14.895 -9.687 -23.756 814 2HB ASP 71 1HB ASP 71 -13.693 -9.052 -24.877 815 H ILE 72 H ILE 72 -11.187 -10.961 -21.837 816 HA ILE 72 HA ILE 72 -10.507 -8.056 -21.684 817 HB ILE 72 HB ILE 72 -10.491 -9.956 -19.335 818 1HG1 ILE 72 2HG1 ILE 72 -12.671 -8.092 -20.320 819 2HG1 ILE 72 1HG1 ILE 72 -12.790 -9.827 -20.078 820 1HG2 ILE 72 1HG2 ILE 72 -10.168 -8.003 -18.030 821 2HG2 ILE 72 2HG2 ILE 72 -10.633 -6.943 -19.361 822 3HG2 ILE 72 3HG2 ILE 72 -9.095 -7.803 -19.415 823 1HD1 ILE 72 1HD1 ILE 72 -12.530 -9.555 -17.662 824 2HD1 ILE 72 2HD1 ILE 72 -13.862 -8.547 -18.230 825 3HD1 ILE 72 3HD1 ILE 72 -12.300 -7.817 -17.858 826 H SER 73 H SER 73 -8.300 -7.608 -21.571 827 HA SER 73 HA SER 73 -6.493 -9.963 -21.878 828 1HB SER 73 2HB SER 73 -6.314 -7.095 -22.793 829 2HB SER 73 1HB SER 73 -4.887 -8.125 -22.733 830 HG SER 73 HG SER 73 -7.106 -8.210 -24.400 831 H ILE 74 H ILE 74 -4.658 -10.162 -20.578 832 HA ILE 74 HA ILE 74 -4.436 -8.215 -18.310 833 HB ILE 74 HB ILE 74 -3.684 -11.112 -18.054 834 1HG1 ILE 74 2HG1 ILE 74 -6.029 -11.130 -18.825 835 2HG1 ILE 74 1HG1 ILE 74 -5.927 -11.601 -17.132 836 1HG2 ILE 74 1HG2 ILE 74 -4.215 -8.800 -16.261 837 2HG2 ILE 74 2HG2 ILE 74 -2.937 -10.012 -16.187 838 3HG2 ILE 74 3HG2 ILE 74 -4.569 -10.418 -15.655 839 1HD1 ILE 74 1HD1 ILE 74 -7.334 -9.937 -16.594 840 2HD1 ILE 74 2HD1 ILE 74 -7.402 -9.441 -18.285 841 3HD1 ILE 74 3HD1 ILE 74 -6.175 -8.764 -17.217 842 H LEU 75 H LEU 75 -2.765 -7.176 -19.697 843 HA LEU 75 HA LEU 75 -0.414 -8.723 -20.412 844 1HB LEU 75 2HB LEU 75 -1.229 -6.754 -21.741 845 2HB LEU 75 1HB LEU 75 -0.736 -5.716 -20.406 846 HG LEU 75 HG LEU 75 1.313 -7.639 -21.359 847 1HD1 LEU 75 1HD1 LEU 75 1.913 -6.275 -23.298 848 2HD1 LEU 75 2HD1 LEU 75 0.550 -5.200 -22.992 849 3HD1 LEU 75 3HD1 LEU 75 0.262 -6.869 -23.481 850 1HD2 LEU 75 1HD2 LEU 75 1.356 -5.611 -19.616 851 2HD2 LEU 75 2HD2 LEU 75 1.701 -4.687 -21.077 852 3HD2 LEU 75 3HD2 LEU 75 2.767 -6.008 -20.598 853 H GLU 76 H GLU 76 1.010 -9.337 -18.910 854 HA GLU 76 HA GLU 76 1.491 -7.558 -16.556 855 1HB GLU 76 2HB GLU 76 2.301 -10.461 -16.823 856 2HB GLU 76 1HB GLU 76 2.198 -9.500 -15.352 857 1HG GLU 76 2HG GLU 76 -0.187 -9.469 -15.419 858 2HG GLU 76 1HG GLU 76 -0.223 -10.062 -17.078 859 H LEU 77 H LEU 77 3.516 -6.626 -16.375 860 HA LEU 77 HA LEU 77 5.660 -7.722 -18.148 861 1HB LEU 77 2HB LEU 77 6.536 -5.373 -18.323 862 2HB LEU 77 1HB LEU 77 4.975 -5.612 -19.100 863 HG LEU 77 HG LEU 77 4.968 -4.742 -16.245 864 1HD1 LEU 77 1HD1 LEU 77 4.971 -2.334 -17.413 865 2HD1 LEU 77 2HD1 LEU 77 6.048 -3.168 -18.533 866 3HD1 LEU 77 3HD1 LEU 77 6.452 -3.081 -16.819 867 1HD2 LEU 77 1HD2 LEU 77 2.797 -4.878 -16.999 868 2HD2 LEU 77 2HD2 LEU 77 3.257 -4.598 -18.678 869 3HD2 LEU 77 3HD2 LEU 77 3.149 -3.242 -17.555 870 H ASN 78 H ASN 78 7.373 -8.425 -17.025 871 HA ASN 78 HA ASN 78 7.598 -7.779 -14.159 872 1HB ASN 78 2HB ASN 78 9.385 -9.555 -15.825 873 2HB ASN 78 1HB ASN 78 9.178 -9.571 -14.082 874 1HD2 ASN 78 1HD2 ASN 78 7.857 -11.267 -13.398 875 2HD2 ASN 78 2HD2 ASN 78 6.545 -11.885 -14.260 876 H VAL 79 H VAL 79 9.306 -6.610 -13.294 877 HA VAL 79 HA VAL 79 11.236 -5.445 -15.260 878 HB VAL 79 HB VAL 79 10.202 -4.060 -12.773 879 1HG1 VAL 79 1HG1 VAL 79 11.475 -2.859 -15.231 880 2HG1 VAL 79 2HG1 VAL 79 12.454 -3.476 -13.900 881 3HG1 VAL 79 3HG1 VAL 79 11.319 -2.155 -13.621 882 1HG2 VAL 79 1HG2 VAL 79 8.405 -4.528 -14.499 883 2HG2 VAL 79 2HG2 VAL 79 9.356 -3.589 -15.650 884 3HG2 VAL 79 3HG2 VAL 79 8.702 -2.814 -14.207 885 H THR 80 H THR 80 12.997 -6.742 -14.826 886 HA THR 80 HA THR 80 13.749 -7.360 -12.052 887 HB THR 80 HB THR 80 15.249 -7.950 -14.617 888 HG1 THR 80 HG1 THR 80 13.493 -9.627 -13.163 889 1HG2 THR 80 1HG2 THR 80 15.646 -8.572 -11.757 890 2HG2 THR 80 2HG2 THR 80 16.818 -8.523 -13.074 891 3HG2 THR 80 3HG2 THR 80 15.807 -9.949 -12.846 892 H LEU 81 H LEU 81 14.241 -5.252 -11.227 893 HA LEU 81 HA LEU 81 16.182 -3.538 -12.539 894 1HB LEU 81 2HB LEU 81 15.190 -3.502 -9.672 895 2HB LEU 81 1HB LEU 81 15.998 -2.186 -10.513 896 HG LEU 81 HG LEU 81 13.584 -3.285 -11.847 897 1HD1 LEU 81 1HD1 LEU 81 13.521 -1.803 -9.216 898 2HD1 LEU 81 2HD1 LEU 81 12.670 -3.284 -9.653 899 3HD1 LEU 81 3HD1 LEU 81 12.175 -1.742 -10.354 900 1HD2 LEU 81 1HD2 LEU 81 14.227 -0.409 -11.217 901 2HD2 LEU 81 2HD2 LEU 81 13.359 -1.069 -12.603 902 3HD2 LEU 81 3HD2 LEU 81 15.108 -1.261 -12.486 903 HA PRO 82 HA PRO 82 19.694 -5.706 -10.714 904 1HB PRO 82 2HB PRO 82 21.638 -4.106 -11.765 905 2HB PRO 82 1HB PRO 82 20.759 -5.311 -12.717 906 1HG PRO 82 2HG PRO 82 20.570 -2.375 -12.786 907 2HG PRO 82 1HG PRO 82 20.122 -3.562 -14.018 908 1HD PRO 82 2HD PRO 82 18.375 -2.174 -12.221 909 2HD PRO 82 1HD PRO 82 17.946 -3.427 -13.403 910 H GLU 83 H GLU 83 21.700 -5.043 -9.386 911 HA GLU 83 HA GLU 83 20.932 -3.447 -7.154 912 1HB GLU 83 2HB GLU 83 23.260 -4.986 -7.998 913 2HB GLU 83 1HB GLU 83 23.738 -3.523 -7.145 914 1HG GLU 83 2HG GLU 83 22.004 -4.170 -5.372 915 2HG GLU 83 1HG GLU 83 21.953 -5.750 -6.156 916 H ALA 84 H ALA 84 23.022 -1.755 -6.569 917 HA ALA 84 HA ALA 84 23.838 -0.020 -8.667 918 1HB ALA 84 1HB ALA 84 22.229 1.908 -7.714 919 2HB ALA 84 2HB ALA 84 21.174 0.520 -7.443 920 3HB ALA 84 3HB ALA 84 21.756 0.881 -9.068 921 H GLU 85 H GLU 85 25.430 1.302 -7.862 922 HA GLU 85 HA GLU 85 25.437 2.504 -5.282 923 1HB GLU 85 2HB GLU 85 27.217 1.103 -4.212 924 2HB GLU 85 1HB GLU 85 25.688 0.246 -4.406 925 1HG GLU 85 2HG GLU 85 26.832 -0.409 -6.754 926 2HG GLU 85 1HG GLU 85 28.290 -0.181 -5.791 927 H GLU 86 H GLU 86 26.317 4.289 -6.310 928 HA GLU 86 HA GLU 86 27.978 5.653 -7.248 929 1HB GLU 86 2HB GLU 86 29.253 4.298 -5.361 930 2HB GLU 86 1HB GLU 86 30.037 3.532 -6.744 931 1HG GLU 86 2HG GLU 86 31.116 5.459 -7.380 932 2HG GLU 86 1HG GLU 86 29.819 6.503 -6.795 933 H LEU 87 H LEU 87 26.560 3.698 -8.923 934 HA LEU 87 HA LEU 87 28.655 3.217 -11.008 935 1HB LEU 87 2HB LEU 87 27.477 1.178 -10.052 936 2HB LEU 87 1HB LEU 87 25.990 1.798 -10.770 937 HG LEU 87 HG LEU 87 27.250 1.893 -12.984 938 1HD1 LEU 87 1HD1 LEU 87 29.511 1.721 -12.564 939 2HD1 LEU 87 2HD1 LEU 87 29.152 0.015 -12.831 940 3HD1 LEU 87 3HD1 LEU 87 29.280 0.643 -11.187 941 1HD2 LEU 87 1HD2 LEU 87 26.950 -0.522 -13.397 942 2HD2 LEU 87 2HD2 LEU 87 25.617 0.116 -12.435 943 3HD2 LEU 87 3HD2 LEU 87 26.898 -0.816 -11.658 944 H LYS 88 HN LYS 88 28.447 4.453 -12.801 945 HA LYS 88 HA LYS 88 25.733 5.451 -13.544 946 1HB LYS 88 2HB LYS 88 27.542 7.096 -12.366 947 2HB LYS 88 1HB LYS 88 28.023 7.274 -14.053 948 1HG LYS 88 2HG LYS 88 25.145 7.519 -13.153 949 2HG LYS 88 1HG LYS 88 26.235 8.903 -13.227 950 1HD LYS 88 2HD LYS 88 25.483 9.069 -15.373 951 2HD LYS 88 1HD LYS 88 26.666 7.800 -15.683 952 1HE LYS 88 2HE LYS 88 24.892 6.096 -15.255 953 2HE LYS 88 1HE LYS 88 23.722 7.403 -15.076 954 1HZ LYS 88 1HZ LYS 88 24.478 8.139 -17.355 955 2HZ LYS 88 2HZ LYS 88 23.562 6.710 -17.292 956 3HZ LYS 88 3HZ LYS 88 25.248 6.634 -17.492
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