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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 | in_recoord | in_dress | stage | position | program | type |
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4557 |
1faf ![]() ![]() |
4403 | cing | recoord | dress | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 -17.691 3.856 -4.415 2 2H MET 1 2H MET 1 -16.362 2.788 -4.223 3 3H MET 1 3H MET 1 -17.955 2.165 -4.357 4 HA MET 1 HA MET 1 -18.461 3.510 -2.316 5 1HB MET 1 1HB MET 1 -17.743 0.915 -2.779 6 2HB MET 1 2HB MET 1 -16.563 1.383 -1.563 7 1HG MET 1 1HG MET 1 -18.409 0.430 -0.432 8 2HG MET 1 2HG MET 1 -18.457 2.167 -0.141 9 1HE MET 1 1HE MET 1 -21.436 3.183 -0.379 10 2HE MET 1 2HE MET 1 -21.986 1.584 0.119 11 3HE MET 1 3HE MET 1 -20.458 2.220 0.727 12 H ASP 2 H ASP 2 -17.315 3.810 -0.139 13 HA ASP 2 HA ASP 2 -15.171 5.680 -0.546 14 1HB ASP 2 1HB ASP 2 -17.126 5.788 1.171 15 2HB ASP 2 2HB ASP 2 -16.099 4.749 2.155 16 H ARG 3 H ARG 3 -13.225 4.842 -0.996 17 HA ARG 3 HA ARG 3 -12.256 2.565 0.583 18 1HB ARG 3 1HB ARG 3 -11.563 3.647 -2.125 19 2HB ARG 3 2HB ARG 3 -10.390 2.674 -1.248 20 1HG ARG 3 1HG ARG 3 -11.400 0.810 -1.875 21 2HG ARG 3 2HG ARG 3 -12.932 1.366 -1.197 22 1HD ARG 3 1HD ARG 3 -13.084 2.784 -3.360 23 2HD ARG 3 2HD ARG 3 -11.873 1.667 -3.981 24 HE ARG 3 HE ARG 3 -14.612 0.976 -3.174 25 1HH1 ARG 3 1HH1 ARG 3 -12.279 -1.317 -5.486 26 2HH1 ARG 3 2HH1 ARG 3 -11.611 0.094 -4.743 27 1HH2 ARG 3 1HH2 ARG 3 -14.466 -1.872 -5.153 28 2HH2 ARG 3 2HH2 ARG 3 -15.475 -0.882 -4.153 29 H VAL 4 H VAL 4 -11.546 3.576 2.442 30 HA VAL 4 HA VAL 4 -9.149 5.224 2.091 31 HB VAL 4 HB VAL 4 -9.813 6.668 3.990 32 1HG1 VAL 4 1HG1 VAL 4 -10.562 8.140 2.499 33 2HG1 VAL 4 2HG1 VAL 4 -10.594 6.820 1.331 34 3HG1 VAL 4 3HG1 VAL 4 -12.048 7.229 2.240 35 1HG2 VAL 4 1HG2 VAL 4 -11.810 6.544 5.073 36 2HG2 VAL 4 2HG2 VAL 4 -12.655 5.876 3.678 37 3HG2 VAL 4 3HG2 VAL 4 -11.619 4.843 4.657 38 H LEU 5 H LEU 5 -7.500 4.455 3.183 39 HA LEU 5 HA LEU 5 -7.945 2.426 5.209 40 1HB LEU 5 1HB LEU 5 -5.346 2.357 5.073 41 2HB LEU 5 2HB LEU 5 -6.334 1.622 3.842 42 HG LEU 5 HG LEU 5 -5.950 3.495 2.369 43 1HD1 LEU 5 1HD1 LEU 5 -5.160 4.808 4.741 44 2HD1 LEU 5 2HD1 LEU 5 -3.829 4.840 3.593 45 3HD1 LEU 5 3HD1 LEU 5 -5.409 5.469 3.129 46 1HD2 LEU 5 1HD2 LEU 5 -4.090 2.537 1.640 47 2HD2 LEU 5 2HD2 LEU 5 -3.183 3.058 3.063 48 3HD2 LEU 5 3HD2 LEU 5 -4.125 1.567 3.115 49 H SER 6 H SER 6 -7.176 2.451 7.272 50 HA SER 6 HA SER 6 -6.923 5.104 8.437 51 1HB SER 6 1HB SER 6 -7.001 3.692 10.611 52 2HB SER 6 2HB SER 6 -8.461 3.782 9.629 53 HG SER 6 HG SER 6 -6.583 1.706 9.280 54 H ARG 7 H ARG 7 -5.426 4.768 10.644 55 HA ARG 7 HA ARG 7 -2.794 4.979 9.721 56 1HB ARG 7 1HB ARG 7 -3.616 4.259 12.537 57 2HB ARG 7 2HB ARG 7 -2.123 5.038 12.035 58 1HG ARG 7 1HG ARG 7 -3.149 7.072 11.670 59 2HG ARG 7 2HG ARG 7 -4.748 6.350 11.480 60 1HD ARG 7 1HD ARG 7 -4.433 5.639 13.958 61 2HD ARG 7 2HD ARG 7 -3.205 6.900 13.983 62 HE ARG 7 HE ARG 7 -6.084 7.286 13.566 63 1HH1 ARG 7 1HH1 ARG 7 -3.517 10.224 14.472 64 2HH1 ARG 7 2HH1 ARG 7 -2.906 8.653 14.084 65 1HH2 ARG 7 1HH2 ARG 7 -5.765 10.623 14.468 66 2HH2 ARG 7 2HH2 ARG 7 -6.874 9.353 14.076 67 H ALA 8 H ALA 8 -4.534 2.267 11.160 68 HA ALA 8 HA ALA 8 -2.354 0.517 11.425 69 1HB ALA 8 1HB ALA 8 -4.956 0.432 12.156 70 2HB ALA 8 2HB ALA 8 -4.946 -0.725 10.824 71 3HB ALA 8 3HB ALA 8 -3.865 -0.952 12.199 72 H ASP 9 H ASP 9 -4.569 1.097 8.719 73 HA ASP 9 HA ASP 9 -3.512 -1.054 7.154 74 1HB ASP 9 1HB ASP 9 -5.161 1.310 6.265 75 2HB ASP 9 2HB ASP 9 -4.910 -0.179 5.363 76 H LYS 10 H LYS 10 -3.235 2.508 6.912 77 HA LYS 10 HA LYS 10 -1.411 2.500 4.778 78 1HB LYS 10 1HB LYS 10 -0.937 4.805 5.344 79 2HB LYS 10 2HB LYS 10 -2.661 4.504 5.495 80 1HG LYS 10 1HG LYS 10 -2.673 4.909 7.706 81 2HG LYS 10 2HG LYS 10 -1.097 4.161 7.960 82 1HD LYS 10 1HD LYS 10 -0.013 6.116 7.770 83 2HD LYS 10 2HD LYS 10 -0.989 6.625 6.390 84 1HE LYS 10 1HE LYS 10 -1.932 6.691 9.252 85 2HE LYS 10 2HE LYS 10 -1.224 8.069 8.413 86 1HZ LYS 10 1HZ LYS 10 -3.883 7.083 8.307 87 2HZ LYS 10 2HZ LYS 10 -3.258 8.534 7.705 88 3HZ LYS 10 3HZ LYS 10 -3.214 7.137 6.754 89 H GLU 11 H GLU 11 -0.960 2.183 8.238 90 HA GLU 11 HA GLU 11 1.862 2.499 8.241 91 1HB GLU 11 1HB GLU 11 0.484 2.704 10.281 92 2HB GLU 11 2HB GLU 11 0.110 0.988 10.191 93 1HG GLU 11 1HG GLU 11 1.830 1.384 11.832 94 2HG GLU 11 2HG GLU 11 2.485 0.466 10.476 95 H ARG 12 H ARG 12 -0.314 -0.193 7.728 96 HA ARG 12 HA ARG 12 1.597 -2.273 7.876 97 1HB ARG 12 1HB ARG 12 -0.763 -2.779 8.010 98 2HB ARG 12 2HB ARG 12 -1.048 -2.080 6.422 99 1HG ARG 12 1HG ARG 12 -1.059 -4.532 6.395 100 2HG ARG 12 2HG ARG 12 0.206 -3.853 5.371 101 1HD ARG 12 1HD ARG 12 1.835 -4.233 7.186 102 2HD ARG 12 2HD ARG 12 0.559 -4.984 8.144 103 HE ARG 12 HE ARG 12 0.782 -6.239 5.615 104 1HH1 ARG 12 1HH1 ARG 12 3.076 -7.589 8.607 105 2HH1 ARG 12 2HH1 ARG 12 2.368 -6.012 8.715 106 1HH2 ARG 12 1HH2 ARG 12 2.705 -8.894 6.766 107 2HH2 ARG 12 2HH2 ARG 12 1.712 -8.312 5.471 108 H LEU 13 H LEU 13 0.600 -0.064 5.364 109 HA LEU 13 HA LEU 13 1.811 -1.369 3.169 110 1HB LEU 13 1HB LEU 13 0.157 0.309 2.768 111 2HB LEU 13 2HB LEU 13 1.046 1.497 3.699 112 HG LEU 13 HG LEU 13 2.863 0.990 1.774 113 1HD1 LEU 13 1HD1 LEU 13 2.015 0.353 -0.227 114 2HD1 LEU 13 2HD1 LEU 13 0.882 -0.515 0.810 115 3HD1 LEU 13 3HD1 LEU 13 0.424 1.037 0.104 116 1HD2 LEU 13 1HD2 LEU 13 2.415 3.114 1.052 117 2HD2 LEU 13 2HD2 LEU 13 0.665 2.878 1.093 118 3HD2 LEU 13 3HD2 LEU 13 1.562 3.122 2.596 119 H LEU 14 H LEU 14 2.954 0.846 5.622 120 HA LEU 14 HA LEU 14 5.441 1.464 4.393 121 1HB LEU 14 1HB LEU 14 4.241 1.801 7.092 122 2HB LEU 14 2HB LEU 14 5.982 1.940 6.954 123 HG LEU 14 HG LEU 14 3.903 3.638 5.587 124 1HD1 LEU 14 1HD1 LEU 14 5.434 5.385 6.815 125 2HD1 LEU 14 2HD1 LEU 14 4.133 4.556 7.667 126 3HD1 LEU 14 3HD1 LEU 14 5.798 4.004 7.850 127 1HD2 LEU 14 1HD2 LEU 14 6.596 3.011 4.763 128 2HD2 LEU 14 2HD2 LEU 14 5.365 3.969 3.945 129 3HD2 LEU 14 3HD2 LEU 14 6.428 4.727 5.129 130 H GLU 15 H GLU 15 4.431 -0.961 6.767 131 HA GLU 15 HA GLU 15 6.940 -1.950 7.462 132 1HB GLU 15 1HB GLU 15 4.169 -2.846 7.667 133 2HB GLU 15 2HB GLU 15 5.299 -4.181 7.494 134 1HG GLU 15 1HG GLU 15 5.665 -4.043 9.669 135 2HG GLU 15 2HG GLU 15 6.476 -2.507 9.371 136 H LEU 16 H LEU 16 4.834 -2.804 4.752 137 HA LEU 16 HA LEU 16 6.603 -4.864 3.806 138 1HB LEU 16 1HB LEU 16 4.031 -3.672 2.928 139 2HB LEU 16 2HB LEU 16 5.008 -4.454 1.701 140 HG LEU 16 HG LEU 16 4.115 -5.794 4.253 141 1HD1 LEU 16 1HD1 LEU 16 2.138 -5.396 3.038 142 2HD1 LEU 16 2HD1 LEU 16 2.913 -5.771 1.499 143 3HD1 LEU 16 3HD1 LEU 16 2.600 -7.056 2.665 144 1HD2 LEU 16 1HD2 LEU 16 6.085 -6.831 3.422 145 2HD2 LEU 16 2HD2 LEU 16 4.726 -7.849 2.942 146 3HD2 LEU 16 3HD2 LEU 16 5.487 -6.781 1.763 147 H LEU 17 H LEU 17 6.416 -1.464 3.461 148 HA LEU 17 HA LEU 17 7.864 -1.404 0.950 149 1HB LEU 17 1HB LEU 17 6.511 0.583 2.662 150 2HB LEU 17 2HB LEU 17 7.885 1.161 1.743 151 HG LEU 17 HG LEU 17 6.832 0.580 -0.336 152 1HD1 LEU 17 1HD1 LEU 17 5.270 -1.179 1.312 153 2HD1 LEU 17 2HD1 LEU 17 4.222 -0.158 0.327 154 3HD1 LEU 17 3HD1 LEU 17 5.460 -1.151 -0.440 155 1HD2 LEU 17 1HD2 LEU 17 4.964 2.087 -0.316 156 2HD2 LEU 17 2HD2 LEU 17 4.786 1.911 1.430 157 3HD2 LEU 17 3HD2 LEU 17 6.209 2.712 0.764 158 H LYS 18 H LYS 18 8.748 -1.869 4.120 159 HA LYS 18 HA LYS 18 10.715 -1.652 5.265 160 1HB LYS 18 1HB LYS 18 11.398 -2.170 2.484 161 2HB LYS 18 2HB LYS 18 12.652 -1.264 3.313 162 1HG LYS 18 1HG LYS 18 13.388 -3.128 4.256 163 2HG LYS 18 2HG LYS 18 11.818 -3.369 5.025 164 1HD LYS 18 1HD LYS 18 11.042 -4.413 2.869 165 2HD LYS 18 2HD LYS 18 12.718 -4.354 2.321 166 1HE LYS 18 1HE LYS 18 13.016 -6.329 3.301 167 2HE LYS 18 2HE LYS 18 12.838 -5.511 4.851 168 1HZ LYS 18 1HZ LYS 18 11.335 -7.502 4.335 169 2HZ LYS 18 2HZ LYS 18 10.625 -6.124 5.012 170 3HZ LYS 18 3HZ LYS 18 10.466 -6.430 3.355 171 H LEU 19 H LEU 19 9.195 0.740 4.206 172 HA LEU 19 HA LEU 19 11.286 2.787 4.371 173 1HB LEU 19 1HB LEU 19 9.907 2.758 2.330 174 2HB LEU 19 2HB LEU 19 8.463 2.928 3.305 175 HG LEU 19 HG LEU 19 10.398 5.057 3.787 176 1HD1 LEU 19 1HD1 LEU 19 10.030 4.247 1.077 177 2HD1 LEU 19 2HD1 LEU 19 9.217 5.792 1.323 178 3HD1 LEU 19 3HD1 LEU 19 10.929 5.625 1.709 179 1HD2 LEU 19 1HD2 LEU 19 7.482 4.733 3.265 180 2HD2 LEU 19 2HD2 LEU 19 8.303 5.481 4.633 181 3HD2 LEU 19 3HD2 LEU 19 8.213 6.325 3.088 182 HA PRO 20 HA PRO 20 9.852 3.180 8.645 183 1HB PRO 20 1HB PRO 20 11.279 5.772 8.233 184 2HB PRO 20 2HB PRO 20 11.376 4.635 9.583 185 1HG PRO 20 1HG PRO 20 13.295 4.741 7.730 186 2HG PRO 20 2HG PRO 20 12.791 3.201 8.449 187 1HD PRO 20 1HD PRO 20 12.258 4.292 5.743 188 2HD PRO 20 2HD PRO 20 12.393 2.606 6.276 189 H ARG 21 H ARG 21 8.653 4.794 9.890 190 HA ARG 21 HA ARG 21 6.639 6.083 8.236 191 1HB ARG 21 1HB ARG 21 5.465 6.411 10.433 192 2HB ARG 21 2HB ARG 21 5.758 4.734 9.994 193 1HG ARG 21 1HG ARG 21 7.963 5.725 11.526 194 2HG ARG 21 2HG ARG 21 6.451 6.045 12.376 195 1HD ARG 21 1HD ARG 21 5.829 3.674 12.099 196 2HD ARG 21 2HD ARG 21 7.380 3.377 11.316 197 HE ARG 21 HE ARG 21 7.650 4.552 13.913 198 1HH1 ARG 21 1HH1 ARG 21 7.879 0.579 13.461 199 2HH1 ARG 21 2HH1 ARG 21 7.196 1.546 12.198 200 1HH2 ARG 21 1HH2 ARG 21 8.646 1.561 15.378 201 2HH2 ARG 21 2HH2 ARG 21 8.547 3.280 15.575 202 H GLN 22 H GLN 22 9.530 6.980 9.545 203 HA GLN 22 HA GLN 22 8.817 9.576 10.548 204 1HB GLN 22 1HB GLN 22 10.760 8.325 11.401 205 2HB GLN 22 2HB GLN 22 11.517 8.436 9.820 206 1HG GLN 22 1HG GLN 22 12.474 10.316 10.483 207 2HG GLN 22 2HG GLN 22 10.877 11.061 10.506 208 1HE2 GLN 22 1HE2 GLN 22 12.811 10.124 13.945 209 2HE2 GLN 22 2HE2 GLN 22 13.408 9.638 12.399 210 H LEU 23 H LEU 23 9.892 8.232 7.523 211 HA LEU 23 HA LEU 23 10.090 10.918 6.378 212 1HB LEU 23 1HB LEU 23 11.340 10.006 4.583 213 2HB LEU 23 2HB LEU 23 11.997 9.348 6.062 214 HG LEU 23 HG LEU 23 11.994 7.622 4.413 215 1HD1 LEU 23 1HD1 LEU 23 10.803 5.885 5.484 216 2HD1 LEU 23 2HD1 LEU 23 11.272 7.027 6.747 217 3HD1 LEU 23 3HD1 LEU 23 9.619 7.017 6.138 218 1HD2 LEU 23 1HD2 LEU 23 9.046 7.700 4.081 219 2HD2 LEU 23 2HD2 LEU 23 10.052 8.813 3.152 220 3HD2 LEU 23 3HD2 LEU 23 10.290 7.077 3.002 221 H TRP 24 H TRP 24 7.673 8.999 6.960 222 HA TRP 24 HA TRP 24 6.392 8.346 4.582 223 1HB TRP 24 1HB TRP 24 5.540 7.537 6.667 224 2HB TRP 24 2HB TRP 24 5.304 9.167 7.276 225 HD1 TRP 24 HD1 TRP 24 3.120 10.482 6.453 226 HE1 TRP 24 HE1 TRP 24 0.909 9.655 5.424 227 HE3 TRP 24 HE3 TRP 24 4.573 5.786 5.072 228 HZ2 TRP 24 HZ2 TRP 24 -0.087 7.311 4.194 229 HZ3 TRP 24 HZ3 TRP 24 2.935 4.311 3.974 230 HH2 TRP 24 HH2 TRP 24 0.654 5.063 3.545 231 H GLY 25 H GLY 25 6.118 9.701 2.914 232 1HA GLY 25 1HA GLY 25 4.290 11.577 2.557 233 2HA GLY 25 2HA GLY 25 5.504 12.515 3.412 234 H ASP 26 H ASP 26 7.716 11.012 2.152 235 HA ASP 26 HA ASP 26 7.950 12.642 -0.206 236 1HB ASP 26 1HB ASP 26 9.799 11.963 1.492 237 2HB ASP 26 2HB ASP 26 9.894 10.480 0.548 238 H PHE 27 H PHE 27 6.459 11.909 -1.708 239 HA PHE 27 HA PHE 27 5.741 9.394 -2.430 240 1HB PHE 27 1HB PHE 27 4.930 11.595 -3.410 241 2HB PHE 27 2HB PHE 27 6.305 11.504 -4.504 242 HD1 PHE 27 HD1 PHE 27 5.428 11.089 -6.605 243 HD2 PHE 27 HD2 PHE 27 4.022 8.833 -3.282 244 HE1 PHE 27 HE1 PHE 27 4.120 9.664 -8.129 245 HE2 PHE 27 HE2 PHE 27 2.714 7.405 -4.797 246 HZ PHE 27 HZ PHE 27 2.762 7.820 -7.225 247 H GLY 28 H GLY 28 8.639 11.100 -3.542 248 1HA GLY 28 1HA GLY 28 9.524 9.231 -5.413 249 2HA GLY 28 2HA GLY 28 10.564 10.327 -4.519 250 H ARG 29 H ARG 29 10.139 9.369 -1.922 251 HA ARG 29 HA ARG 29 11.918 7.150 -1.921 252 1HB ARG 29 1HB ARG 29 10.380 8.501 0.294 253 2HB ARG 29 2HB ARG 29 11.530 7.200 0.567 254 1HG ARG 29 1HG ARG 29 12.422 9.583 -0.970 255 2HG ARG 29 2HG ARG 29 12.236 9.719 0.780 256 1HD ARG 29 1HD ARG 29 13.908 8.194 1.210 257 2HD ARG 29 2HD ARG 29 13.739 7.405 -0.357 258 HE ARG 29 HE ARG 29 14.659 9.748 -1.133 259 1HH1 ARG 29 1HH1 ARG 29 17.326 8.375 1.521 260 2HH1 ARG 29 2HH1 ARG 29 15.700 7.783 1.563 261 1HH2 ARG 29 1HH2 ARG 29 17.947 9.926 -0.037 262 2HH2 ARG 29 2HH2 ARG 29 16.795 10.519 -1.185 263 H MET 30 H MET 30 8.525 7.477 -0.850 264 HA MET 30 HA MET 30 8.143 4.822 -0.125 265 1HB MET 30 1HB MET 30 5.687 5.296 -0.630 266 2HB MET 30 2HB MET 30 6.477 6.313 0.563 267 1HG MET 30 1HG MET 30 6.700 8.094 -1.032 268 2HG MET 30 2HG MET 30 6.064 7.073 -2.317 269 1HE MET 30 1HE MET 30 4.348 7.544 1.509 270 2HE MET 30 2HE MET 30 5.608 8.662 0.982 271 3HE MET 30 3HE MET 30 3.927 9.194 1.047 272 H GLN 31 H GLN 31 7.546 6.360 -3.292 273 HA GLN 31 HA GLN 31 6.566 4.031 -4.540 274 1HB GLN 31 1HB GLN 31 6.606 6.549 -5.334 275 2HB GLN 31 2HB GLN 31 8.105 6.056 -6.112 276 1HG GLN 31 1HG GLN 31 6.984 4.413 -7.413 277 2HG GLN 31 2HG GLN 31 5.492 4.621 -6.498 278 1HE2 GLN 31 1HE2 GLN 31 4.270 7.003 -8.655 279 2HE2 GLN 31 2HE2 GLN 31 4.003 5.757 -7.487 280 H GLN 32 H GLN 32 9.804 5.283 -4.040 281 HA GLN 32 HA GLN 32 11.177 3.506 -5.752 282 1HB GLN 32 1HB GLN 32 11.957 5.644 -4.354 283 2HB GLN 32 2HB GLN 32 12.459 4.403 -3.216 284 1HG GLN 32 1HG GLN 32 14.357 4.387 -4.377 285 2HG GLN 32 2HG GLN 32 13.452 3.439 -5.557 286 1HE2 GLN 32 1HE2 GLN 32 14.479 5.774 -7.914 287 2HE2 GLN 32 2HE2 GLN 32 14.575 4.154 -7.323 288 H ALA 33 H ALA 33 10.086 3.310 -2.429 289 HA ALA 33 HA ALA 33 11.365 0.788 -1.914 290 1HB ALA 33 1HB ALA 33 10.673 1.033 0.242 291 2HB ALA 33 2HB ALA 33 10.630 2.718 -0.272 292 3HB ALA 33 3HB ALA 33 9.141 1.776 -0.213 293 H TYR 34 H TYR 34 8.256 1.885 -3.052 294 HA TYR 34 HA TYR 34 6.833 -0.530 -2.588 295 1HB TYR 34 1HB TYR 34 5.664 1.593 -2.945 296 2HB TYR 34 2HB TYR 34 6.301 1.684 -4.585 297 HD1 TYR 34 HD1 TYR 34 3.576 0.617 -2.575 298 HD2 TYR 34 HD2 TYR 34 5.690 -0.293 -6.158 299 HE1 TYR 34 HE1 TYR 34 1.641 -0.658 -3.400 300 HE2 TYR 34 HE2 TYR 34 3.752 -1.554 -6.992 301 HH TYR 34 HH TYR 34 1.340 -2.647 -5.143 302 H LYS 35 H LYS 35 8.640 0.750 -5.343 303 HA LYS 35 HA LYS 35 7.977 -1.316 -7.151 304 1HB LYS 35 1HB LYS 35 10.300 0.607 -7.050 305 2HB LYS 35 2HB LYS 35 10.053 -0.529 -8.369 306 1HG LYS 35 1HG LYS 35 7.638 0.940 -7.871 307 2HG LYS 35 2HG LYS 35 8.993 2.046 -8.103 308 1HD LYS 35 1HD LYS 35 8.527 -0.252 -9.975 309 2HD LYS 35 2HD LYS 35 7.663 1.274 -10.173 310 1HE LYS 35 1HE LYS 35 10.443 1.808 -9.767 311 2HE LYS 35 2HE LYS 35 10.264 0.610 -11.048 312 1HZ LYS 35 1HZ LYS 35 9.189 2.070 -12.394 313 2HZ LYS 35 2HZ LYS 35 8.523 2.958 -11.118 314 3HZ LYS 35 3HZ LYS 35 10.146 3.172 -11.539 315 H GLN 36 H GLN 36 10.903 -0.797 -5.175 316 HA GLN 36 HA GLN 36 12.201 -3.169 -5.896 317 1HB GLN 36 1HB GLN 36 13.524 -2.863 -3.835 318 2HB GLN 36 2HB GLN 36 13.380 -1.376 -4.761 319 1HG GLN 36 1HG GLN 36 12.178 -0.336 -3.168 320 2HG GLN 36 2HG GLN 36 11.356 -1.810 -2.662 321 1HE2 GLN 36 1HE2 GLN 36 14.894 -0.699 -0.962 322 2HE2 GLN 36 2HE2 GLN 36 14.372 -0.017 -2.461 323 H GLN 37 H GLN 37 9.648 -2.551 -3.600 324 HA GLN 37 HA GLN 37 9.881 -5.175 -2.389 325 1HB GLN 37 1HB GLN 37 7.968 -2.880 -1.989 326 2HB GLN 37 2HB GLN 37 7.779 -4.428 -1.174 327 1HG GLN 37 1HG GLN 37 10.189 -2.638 -0.966 328 2HG GLN 37 2HG GLN 37 8.898 -2.755 0.223 329 1HE2 GLN 37 1HE2 GLN 37 11.984 -5.114 0.604 330 2HE2 GLN 37 2HE2 GLN 37 11.928 -3.593 -0.211 331 H SER 38 H SER 38 8.154 -3.645 -4.950 332 HA SER 38 HA SER 38 6.030 -5.574 -5.086 333 1HB SER 38 1HB SER 38 6.910 -3.226 -6.691 334 2HB SER 38 2HB SER 38 5.934 -4.444 -7.511 335 HG SER 38 HG SER 38 4.306 -3.498 -6.596 336 H LEU 39 H LEU 39 9.213 -5.187 -6.462 337 HA LEU 39 HA LEU 39 8.867 -7.205 -8.469 338 1HB LEU 39 1HB LEU 39 10.980 -5.370 -7.611 339 2HB LEU 39 2HB LEU 39 11.582 -6.927 -8.152 340 HG LEU 39 HG LEU 39 9.787 -5.114 -9.769 341 1HD1 LEU 39 1HD1 LEU 39 11.649 -4.407 -10.967 342 2HD1 LEU 39 2HD1 LEU 39 12.203 -4.376 -9.292 343 3HD1 LEU 39 3HD1 LEU 39 12.663 -5.711 -10.348 344 1HD2 LEU 39 1HD2 LEU 39 9.805 -6.666 -11.437 345 2HD2 LEU 39 2HD2 LEU 39 11.354 -7.350 -10.937 346 3HD2 LEU 39 3HD2 LEU 39 9.884 -7.748 -10.047 347 H LEU 40 H LEU 40 9.814 -7.181 -5.124 348 HA LEU 40 HA LEU 40 10.963 -9.849 -5.329 349 1HB LEU 40 1HB LEU 40 11.370 -9.638 -2.897 350 2HB LEU 40 2HB LEU 40 12.119 -8.372 -3.846 351 HG LEU 40 HG LEU 40 9.957 -7.018 -3.204 352 1HD1 LEU 40 1HD1 LEU 40 8.737 -7.700 -1.429 353 2HD1 LEU 40 2HD1 LEU 40 9.239 -9.297 -1.980 354 3HD1 LEU 40 3HD1 LEU 40 10.101 -8.509 -0.660 355 1HD2 LEU 40 1HD2 LEU 40 12.573 -7.343 -2.059 356 2HD2 LEU 40 2HD2 LEU 40 11.600 -5.885 -2.222 357 3HD2 LEU 40 3HD2 LEU 40 11.409 -6.918 -0.806 358 H LEU 41 H LEU 41 7.944 -8.388 -4.675 359 HA LEU 41 HA LEU 41 6.927 -10.749 -3.287 360 1HB LEU 41 1HB LEU 41 5.884 -7.989 -3.785 361 2HB LEU 41 2HB LEU 41 4.758 -9.280 -3.408 362 HG LEU 41 HG LEU 41 7.105 -8.769 -1.619 363 1HD1 LEU 41 1HD1 LEU 41 5.892 -6.618 -2.011 364 2HD1 LEU 41 2HD1 LEU 41 4.445 -7.386 -1.355 365 3HD1 LEU 41 3HD1 LEU 41 5.874 -7.182 -0.340 366 1HD2 LEU 41 1HD2 LEU 41 4.611 -10.317 -1.567 367 2HD2 LEU 41 2HD2 LEU 41 6.143 -10.598 -0.738 368 3HD2 LEU 41 3HD2 LEU 41 4.980 -9.449 -0.078 369 H HIS 42 H HIS 42 7.420 -9.804 -6.412 370 HA HIS 42 HA HIS 42 5.003 -10.512 -7.677 371 1HB HIS 42 1HB HIS 42 6.921 -9.183 -8.667 372 2HB HIS 42 2HB HIS 42 7.766 -10.713 -8.876 373 HD1 HIS 42 HD1 HIS 42 7.068 -12.181 -10.814 374 HD2 HIS 42 HD2 HIS 42 4.651 -8.839 -10.350 375 HE1 HIS 42 HE1 HIS 42 5.652 -12.087 -12.890 376 HE2 HIS 42 HE2 HIS 42 4.275 -9.993 -12.635 377 HA PRO 43 HA PRO 43 4.715 -14.902 -7.177 378 1HB PRO 43 1HB PRO 43 4.011 -14.738 -10.083 379 2HB PRO 43 2HB PRO 43 3.206 -15.622 -8.780 380 1HG PRO 43 1HG PRO 43 2.216 -13.315 -9.673 381 2HG PRO 43 2HG PRO 43 2.174 -13.723 -7.947 382 1HD PRO 43 1HD PRO 43 3.881 -11.766 -9.385 383 2HD PRO 43 2HD PRO 43 3.319 -11.759 -7.702 384 H ASP 44 H ASP 44 6.119 -13.845 -10.300 385 HA ASP 44 HA ASP 44 7.603 -16.210 -10.708 386 1HB ASP 44 1HB ASP 44 7.659 -13.469 -11.898 387 2HB ASP 44 2HB ASP 44 8.981 -14.576 -12.245 388 H LYS 45 H LYS 45 8.121 -13.670 -8.522 389 HA LYS 45 HA LYS 45 10.974 -14.364 -8.306 390 1HB LYS 45 1HB LYS 45 9.712 -11.910 -7.106 391 2HB LYS 45 2HB LYS 45 11.413 -12.219 -7.426 392 1HG LYS 45 1HG LYS 45 9.355 -11.956 -9.597 393 2HG LYS 45 2HG LYS 45 10.286 -10.598 -8.976 394 1HD LYS 45 1HD LYS 45 12.357 -11.679 -9.629 395 2HD LYS 45 2HD LYS 45 11.464 -13.096 -10.183 396 1HE LYS 45 1HE LYS 45 11.219 -12.162 -12.180 397 2HE LYS 45 2HE LYS 45 10.340 -10.822 -11.446 398 1HZ LYS 45 1HZ LYS 45 12.140 -9.866 -12.575 399 2HZ LYS 45 2HZ LYS 45 12.602 -9.854 -10.947 400 3HZ LYS 45 3HZ LYS 45 13.242 -11.015 -11.999 401 H GLY 46 H GLY 46 8.769 -15.903 -7.193 402 1HA GLY 46 1HA GLY 46 8.293 -17.027 -5.251 403 2HA GLY 46 2HA GLY 46 9.818 -16.410 -4.635 404 H GLY 47 H GLY 47 6.371 -15.905 -4.823 405 1HA GLY 47 1HA GLY 47 6.350 -14.531 -2.323 406 2HA GLY 47 2HA GLY 47 6.073 -13.422 -3.659 407 H SER 48 H SER 48 4.160 -13.765 -1.720 408 HA SER 48 HA SER 48 2.186 -15.644 -2.734 409 1HB SER 48 1HB SER 48 2.625 -14.191 -0.239 410 2HB SER 48 2HB SER 48 0.945 -14.127 -0.767 411 HG SER 48 HG SER 48 1.077 -15.981 0.361 412 H HIS 49 H HIS 49 0.060 -14.998 -3.374 413 HA HIS 49 HA HIS 49 0.087 -12.594 -4.977 414 1HB HIS 49 1HB HIS 49 -0.921 -14.926 -5.576 415 2HB HIS 49 2HB HIS 49 -2.312 -14.371 -4.650 416 HD1 HIS 49 HD1 HIS 49 -2.068 -11.353 -5.687 417 HD2 HIS 49 HD2 HIS 49 -2.215 -14.784 -8.027 418 HE1 HIS 49 HE1 HIS 49 -2.909 -10.599 -7.935 419 HE2 HIS 49 HE2 HIS 49 -2.949 -12.685 -9.348 420 H ALA 50 H ALA 50 -1.641 -13.830 -2.157 421 HA ALA 50 HA ALA 50 -3.528 -11.793 -1.876 422 1HB ALA 50 1HB ALA 50 -4.092 -12.817 0.050 423 2HB ALA 50 2HB ALA 50 -3.010 -14.079 -0.546 424 3HB ALA 50 3HB ALA 50 -2.424 -12.894 0.620 425 H LEU 51 H LEU 51 -0.130 -11.758 -1.335 426 HA LEU 51 HA LEU 51 -0.173 -9.488 0.452 427 1HB LEU 51 1HB LEU 51 1.893 -11.258 -0.725 428 2HB LEU 51 2HB LEU 51 2.399 -9.635 -0.292 429 HG LEU 51 HG LEU 51 1.211 -10.261 1.999 430 1HD1 LEU 51 1HD1 LEU 51 2.349 -12.914 1.695 431 2HD1 LEU 51 2HD1 LEU 51 0.804 -12.414 2.387 432 3HD1 LEU 51 3HD1 LEU 51 0.952 -12.657 0.647 433 1HD2 LEU 51 1HD2 LEU 51 3.333 -10.621 2.898 434 2HD2 LEU 51 2HD2 LEU 51 3.916 -11.431 1.443 435 3HD2 LEU 51 3HD2 LEU 51 3.648 -9.688 1.435 436 H MET 52 H MET 52 0.939 -10.091 -2.876 437 HA MET 52 HA MET 52 1.670 -7.460 -3.469 438 1HB MET 52 1HB MET 52 1.492 -9.933 -4.855 439 2HB MET 52 2HB MET 52 0.682 -8.719 -5.834 440 1HG MET 52 1HG MET 52 3.326 -8.026 -4.694 441 2HG MET 52 2HG MET 52 3.278 -9.192 -6.014 442 1HE MET 52 1HE MET 52 2.745 -4.698 -6.237 443 2HE MET 52 2HE MET 52 2.038 -5.606 -4.901 444 3HE MET 52 3HE MET 52 3.778 -5.654 -5.176 445 H GLN 53 H GLN 53 -1.465 -9.023 -3.516 446 HA GLN 53 HA GLN 53 -2.745 -6.917 -4.987 447 1HB GLN 53 1HB GLN 53 -4.838 -8.066 -4.421 448 2HB GLN 53 2HB GLN 53 -3.643 -9.177 -5.073 449 1HG GLN 53 1HG GLN 53 -3.588 -10.395 -3.211 450 2HG GLN 53 2HG GLN 53 -3.578 -8.977 -2.166 451 1HE2 GLN 53 1HE2 GLN 53 -6.681 -10.566 -1.310 452 2HE2 GLN 53 2HE2 GLN 53 -4.980 -10.704 -1.035 453 H GLU 54 H GLU 54 -2.210 -7.670 -1.609 454 HA GLU 54 HA GLU 54 -4.064 -5.749 -0.590 455 1HB GLU 54 1HB GLU 54 -2.193 -7.683 0.488 456 2HB GLU 54 2HB GLU 54 -2.097 -6.161 1.362 457 1HG GLU 54 1HG GLU 54 -4.837 -6.762 0.990 458 2HG GLU 54 2HG GLU 54 -4.038 -8.223 1.570 459 H LEU 55 H LEU 55 -0.647 -5.749 -1.396 460 HA LEU 55 HA LEU 55 -0.071 -3.190 -0.293 461 1HB LEU 55 1HB LEU 55 1.722 -4.726 -0.611 462 2HB LEU 55 2HB LEU 55 1.327 -4.937 -2.305 463 HG LEU 55 HG LEU 55 1.877 -2.344 -2.394 464 1HD1 LEU 55 1HD1 LEU 55 2.769 -3.159 0.235 465 2HD1 LEU 55 2HD1 LEU 55 4.092 -2.525 -0.741 466 3HD1 LEU 55 3HD1 LEU 55 2.652 -1.546 -0.469 467 1HD2 LEU 55 1HD2 LEU 55 3.476 -3.134 -3.711 468 2HD2 LEU 55 2HD2 LEU 55 4.408 -3.676 -2.315 469 3HD2 LEU 55 3HD2 LEU 55 3.200 -4.739 -3.035 470 H ASN 56 H ASN 56 -0.892 -4.359 -3.534 471 HA ASN 56 HA ASN 56 -0.591 -1.929 -4.901 472 1HB ASN 56 1HB ASN 56 -1.753 -4.550 -5.434 473 2HB ASN 56 2HB ASN 56 -2.649 -3.252 -6.219 474 1HD2 ASN 56 1HD2 ASN 56 1.074 -4.282 -7.456 475 2HD2 ASN 56 2HD2 ASN 56 0.395 -4.912 -5.999 476 H SER 57 H SER 57 -3.178 -3.189 -2.928 477 HA SER 57 HA SER 57 -5.071 -1.164 -3.727 478 1HB SER 57 1HB SER 57 -6.547 -2.162 -2.076 479 2HB SER 57 2HB SER 57 -5.783 -3.445 -3.015 480 HG SER 57 HG SER 57 -5.227 -2.615 -0.373 481 H LEU 58 H LEU 58 -3.086 -1.856 -0.873 482 HA LEU 58 HA LEU 58 -3.955 0.351 0.657 483 1HB LEU 58 1HB LEU 58 -1.546 -1.428 0.734 484 2HB LEU 58 2HB LEU 58 -1.634 -0.024 1.779 485 HG LEU 58 HG LEU 58 -3.979 -1.826 1.836 486 1HD1 LEU 58 1HD1 LEU 58 -2.708 -3.668 2.032 487 2HD1 LEU 58 2HD1 LEU 58 -1.247 -2.749 2.391 488 3HD1 LEU 58 3HD1 LEU 58 -2.422 -3.066 3.666 489 1HD2 LEU 58 1HD2 LEU 58 -2.617 0.118 3.528 490 2HD2 LEU 58 2HD2 LEU 58 -4.304 -0.395 3.521 491 3HD2 LEU 58 3HD2 LEU 58 -3.099 -1.339 4.396 492 H TRP 59 H TRP 59 -1.621 0.021 -1.897 493 HA TRP 59 HA TRP 59 -0.451 2.629 -1.380 494 1HB TRP 59 1HB TRP 59 1.090 0.923 -2.037 495 2HB TRP 59 2HB TRP 59 0.087 0.457 -3.402 496 HD1 TRP 59 HD1 TRP 59 0.622 1.539 -5.665 497 HE1 TRP 59 HE1 TRP 59 2.249 3.359 -6.470 498 HE3 TRP 59 HE3 TRP 59 2.210 3.288 -1.125 499 HZ2 TRP 59 HZ2 TRP 59 3.979 5.272 -5.340 500 HZ3 TRP 59 HZ3 TRP 59 3.859 5.101 -1.082 501 HH2 TRP 59 HH2 TRP 59 4.722 6.079 -3.145 502 H GLY 60 H GLY 60 -2.810 1.091 -3.419 503 1HA GLY 60 1HA GLY 60 -2.932 3.078 -5.448 504 2HA GLY 60 2HA GLY 60 -4.172 1.891 -5.096 505 H THR 61 H THR 61 -5.328 2.394 -2.869 506 HA THR 61 HA THR 61 -6.821 4.721 -3.169 507 HB THR 61 HB THR 61 -6.952 2.596 -1.481 508 HG1 THR 61 HG1 THR 61 -8.705 3.695 -0.540 509 1HG2 THR 61 1HG2 THR 61 -6.098 4.877 0.253 510 2HG2 THR 61 2HG2 THR 61 -6.969 3.452 0.816 511 3HG2 THR 61 3HG2 THR 61 -5.355 3.280 0.125 512 H PHE 62 H PHE 62 -4.101 3.987 -1.123 513 HA PHE 62 HA PHE 62 -3.562 6.315 0.212 514 1HB PHE 62 1HB PHE 62 -2.216 4.300 0.447 515 2HB PHE 62 2HB PHE 62 -1.669 4.437 -1.223 516 HD1 PHE 62 HD1 PHE 62 0.638 4.289 -0.550 517 HD2 PHE 62 HD2 PHE 62 -1.880 7.407 0.895 518 HE1 PHE 62 HE1 PHE 62 2.615 5.534 0.212 519 HE2 PHE 62 HE2 PHE 62 0.100 8.656 1.654 520 HZ PHE 62 HZ PHE 62 2.346 7.712 1.309 521 H LYS 63 H LYS 63 -2.496 5.401 -3.004 522 HA LYS 63 HA LYS 63 -1.215 7.761 -3.755 523 1HB LYS 63 1HB LYS 63 -1.981 5.260 -4.912 524 2HB LYS 63 2HB LYS 63 -2.420 6.530 -6.024 525 1HG LYS 63 1HG LYS 63 -0.109 7.368 -5.957 526 2HG LYS 63 2HG LYS 63 0.313 6.046 -4.867 527 1HD LYS 63 1HD LYS 63 -0.638 5.827 -7.719 528 2HD LYS 63 2HD LYS 63 0.966 5.440 -7.099 529 1HE LYS 63 1HE LYS 63 0.249 3.338 -6.914 530 2HE LYS 63 2HE LYS 63 -0.731 3.884 -5.550 531 1HZ LYS 63 1HZ LYS 63 -2.550 4.306 -7.103 532 2HZ LYS 63 2HZ LYS 63 -1.601 3.760 -8.393 533 3HZ LYS 63 3HZ LYS 63 -2.060 2.688 -7.168 534 H THR 64 H THR 64 -4.618 6.794 -3.980 535 HA THR 64 HA THR 64 -5.618 8.749 -5.649 536 HB THR 64 HB THR 64 -6.919 7.772 -3.096 537 HG1 THR 64 HG1 THR 64 -6.214 6.359 -5.162 538 1HG2 THR 64 1HG2 THR 64 -8.048 9.708 -4.128 539 2HG2 THR 64 2HG2 THR 64 -8.231 8.765 -5.608 540 3HG2 THR 64 3HG2 THR 64 -9.022 8.237 -4.123 541 H GLU 65 H GLU 65 -4.681 8.950 -2.285 542 HA GLU 65 HA GLU 65 -5.454 11.735 -2.061 543 1HB GLU 65 1HB GLU 65 -3.780 10.220 -0.071 544 2HB GLU 65 2HB GLU 65 -4.845 11.587 0.213 545 1HG GLU 65 1HG GLU 65 -6.095 9.116 -0.816 546 2HG GLU 65 2HG GLU 65 -5.487 9.079 0.836 547 H VAL 66 H VAL 66 -2.624 9.775 -2.641 548 HA VAL 66 HA VAL 66 -0.602 11.560 -2.107 549 HB VAL 66 HB VAL 66 -0.728 9.455 -4.243 550 1HG1 VAL 66 1HG1 VAL 66 1.021 11.458 -4.441 551 2HG1 VAL 66 2HG1 VAL 66 1.883 10.473 -3.262 552 3HG1 VAL 66 3HG1 VAL 66 1.448 9.796 -4.830 553 1HG2 VAL 66 1HG2 VAL 66 0.750 9.459 -1.620 554 2HG2 VAL 66 2HG2 VAL 66 -0.878 8.814 -1.812 555 3HG2 VAL 66 3HG2 VAL 66 0.466 8.093 -2.700 556 H TYR 67 H TYR 67 -2.461 11.181 -5.099 557 HA TYR 67 HA TYR 67 -1.132 13.113 -6.618 558 1HB TYR 67 1HB TYR 67 -3.368 11.465 -6.953 559 2HB TYR 67 2HB TYR 67 -3.991 13.101 -7.136 560 HD1 TYR 67 HD1 TYR 67 -3.032 10.479 -9.006 561 HD2 TYR 67 HD2 TYR 67 -2.009 14.579 -8.516 562 HE1 TYR 67 HE1 TYR 67 -2.180 10.535 -11.311 563 HE2 TYR 67 HE2 TYR 67 -1.155 14.647 -10.822 564 HH TYR 67 HH TYR 67 -1.790 12.250 -13.089 565 H ASN 68 H ASN 68 -3.421 13.403 -4.032 566 HA ASN 68 HA ASN 68 -3.882 16.230 -4.537 567 1HB ASN 68 1HB ASN 68 -5.065 14.173 -2.736 568 2HB ASN 68 2HB ASN 68 -5.159 15.859 -2.234 569 1HD2 ASN 68 1HD2 ASN 68 -7.470 14.427 -5.226 570 2HD2 ASN 68 2HD2 ASN 68 -6.247 13.469 -4.468 571 H LEU 69 H LEU 69 -1.948 14.176 -2.478 572 HA LEU 69 HA LEU 69 -1.405 16.032 -0.432 573 1HB LEU 69 1HB LEU 69 0.118 14.527 0.374 574 2HB LEU 69 2HB LEU 69 -0.835 13.472 -0.644 575 HG LEU 69 HG LEU 69 0.949 13.867 -2.447 576 1HD1 LEU 69 1HD1 LEU 69 1.964 15.552 -0.372 577 2HD1 LEU 69 2HD1 LEU 69 3.118 14.260 -0.696 578 3HD1 LEU 69 3HD1 LEU 69 2.575 15.309 -2.005 579 1HD2 LEU 69 1HD2 LEU 69 1.857 12.446 0.048 580 2HD2 LEU 69 2HD2 LEU 69 0.654 11.797 -1.060 581 3HD2 LEU 69 3HD2 LEU 69 2.299 12.083 -1.619 582 H ARG 70 H ARG 70 -0.336 15.854 -3.688 583 HA ARG 70 HA ARG 70 2.056 17.359 -3.346 584 1HB ARG 70 1HB ARG 70 0.460 16.870 -5.856 585 2HB ARG 70 2HB ARG 70 2.108 17.477 -5.789 586 1HG ARG 70 1HG ARG 70 1.501 14.866 -4.500 587 2HG ARG 70 2HG ARG 70 1.598 14.945 -6.259 588 1HD ARG 70 1HD ARG 70 3.790 16.330 -4.922 589 2HD ARG 70 2HD ARG 70 3.714 14.613 -4.530 590 HE ARG 70 HE ARG 70 4.147 14.094 -6.761 591 1HH1 ARG 70 1HH1 ARG 70 4.648 17.922 -7.832 592 2HH1 ARG 70 2HH1 ARG 70 3.938 17.553 -6.298 593 1HH2 ARG 70 1HH2 ARG 70 5.297 16.242 -9.235 594 2HH2 ARG 70 2HH2 ARG 70 5.080 14.587 -8.774 595 H MET 71 H MET 71 -0.966 18.274 -2.882 596 HA MET 71 HA MET 71 -0.593 20.978 -3.965 597 1HB MET 71 1HB MET 71 -3.118 19.593 -3.040 598 2HB MET 71 2HB MET 71 -3.034 21.250 -3.623 599 1HG MET 71 1HG MET 71 -2.876 20.629 -5.783 600 2HG MET 71 2HG MET 71 -1.927 19.189 -5.415 601 1HE MET 71 1HE MET 71 -4.973 18.548 -7.578 602 2HE MET 71 2HE MET 71 -5.883 19.792 -6.720 603 3HE MET 71 3HE MET 71 -4.238 20.120 -7.264 604 H ASN 72 H ASN 72 -1.094 19.104 -1.068 605 HA ASN 72 HA ASN 72 -1.483 21.417 0.615 606 1HB ASN 72 1HB ASN 72 -0.925 18.573 1.468 607 2HB ASN 72 2HB ASN 72 -1.639 19.856 2.439 608 1HD2 ASN 72 1HD2 ASN 72 -4.667 19.746 0.317 609 2HD2 ASN 72 2HD2 ASN 72 -3.443 20.917 0.658 610 H LEU 73 H LEU 73 0.141 22.681 1.199 611 HA LEU 73 HA LEU 73 2.708 21.451 1.912 612 1HB LEU 73 1HB LEU 73 2.201 23.557 -0.123 613 2HB LEU 73 2HB LEU 73 3.625 23.738 0.885 614 HG LEU 73 HG LEU 73 3.977 21.189 0.128 615 1HD1 LEU 73 1HD1 LEU 73 2.690 20.548 -1.556 616 2HD1 LEU 73 2HD1 LEU 73 1.862 22.104 -1.540 617 3HD1 LEU 73 3HD1 LEU 73 3.302 21.882 -2.533 618 1HD2 LEU 73 1HD2 LEU 73 4.731 23.398 -1.755 619 2HD2 LEU 73 2HD2 LEU 73 5.431 23.284 -0.141 620 3HD2 LEU 73 3HD2 LEU 73 5.655 21.969 -1.295 621 H GLY 74 H GLY 74 0.410 22.520 3.444 622 1HA GLY 74 1HA GLY 74 1.963 24.332 5.139 623 2HA GLY 74 2HA GLY 74 0.400 24.893 4.567 624 H GLY 75 H GLY 75 -1.411 24.285 5.629 625 1HA GLY 75 1HA GLY 75 -1.798 21.936 7.075 626 2HA GLY 75 2HA GLY 75 -1.168 23.129 8.201 627 H THR 76 H THR 76 -2.346 25.399 7.751 628 HA THR 76 HA THR 76 -4.984 25.054 8.663 629 HB THR 76 HB THR 76 -5.122 27.580 8.003 630 HG1 THR 76 HG1 THR 76 -3.027 28.485 7.794 631 1HG2 THR 76 1HG2 THR 76 -3.051 26.706 10.000 632 2HG2 THR 76 2HG2 THR 76 -3.877 28.263 9.946 633 3HG2 THR 76 3HG2 THR 76 -4.785 26.794 10.303 634 H GLY 77 H GLY 77 -6.982 25.465 7.669 635 1HA GLY 77 1HA GLY 77 -7.474 26.303 5.090 636 2HA GLY 77 2HA GLY 77 -7.161 24.578 4.961 637 H PHE 78 H PHE 78 -8.995 26.733 7.135 638 HA PHE 78 HA PHE 78 -11.083 24.725 7.354 639 1HB PHE 78 1HB PHE 78 -10.198 27.021 8.910 640 2HB PHE 78 2HB PHE 78 -11.947 26.992 8.714 641 HD1 PHE 78 HD1 PHE 78 -13.128 25.932 10.359 642 HD2 PHE 78 HD2 PHE 78 -9.198 24.577 9.459 643 HE1 PHE 78 HE1 PHE 78 -13.303 24.254 12.149 644 HE2 PHE 78 HE2 PHE 78 -9.363 22.895 11.247 645 HZ PHE 78 HZ PHE 78 -11.418 22.733 12.595 646 H GLN 79 H GLN 79 -12.542 24.624 5.786 647 HA GLN 79 HA GLN 79 -13.986 27.025 5.033 648 1HB GLN 79 1HB GLN 79 -12.247 25.477 3.159 649 2HB GLN 79 2HB GLN 79 -13.750 26.153 2.550 650 1HG GLN 79 1HG GLN 79 -12.312 28.124 4.064 651 2HG GLN 79 2HG GLN 79 -11.286 27.434 2.807 652 1HE2 GLN 79 1HE2 GLN 79 -14.781 29.193 1.583 653 2HE2 GLN 79 2HE2 GLN 79 -14.746 28.208 3.003 Start of MODEL 2 1 1H MET 1 1H MET 1 -15.136 12.294 3.229 2 2H MET 1 2H MET 1 -16.250 11.800 2.020 3 3H MET 1 3H MET 1 -16.123 10.915 3.486 4 HA MET 1 HA MET 1 -13.978 11.227 1.494 5 1HB MET 1 1HB MET 1 -14.268 9.489 3.954 6 2HB MET 1 2HB MET 1 -12.913 9.449 2.836 7 1HG MET 1 1HG MET 1 -13.719 11.779 4.557 8 2HG MET 1 2HG MET 1 -12.359 10.695 4.839 9 1HE MET 1 1HE MET 1 -12.148 14.301 4.185 10 2HE MET 1 2HE MET 1 -11.475 13.059 5.241 11 3HE MET 1 3HE MET 1 -10.458 13.826 4.021 12 H ASP 2 H ASP 2 -13.379 8.841 0.829 13 HA ASP 2 HA ASP 2 -15.849 7.377 0.191 14 1HB ASP 2 1HB ASP 2 -14.918 8.793 -1.734 15 2HB ASP 2 2HB ASP 2 -13.571 7.659 -1.765 16 H ARG 3 H ARG 3 -12.333 7.036 -0.289 17 HA ARG 3 HA ARG 3 -12.336 4.615 1.328 18 1HB ARG 3 1HB ARG 3 -11.497 4.662 -1.572 19 2HB ARG 3 2HB ARG 3 -11.110 3.361 -0.457 20 1HG ARG 3 1HG ARG 3 -13.508 2.953 -0.121 21 2HG ARG 3 2HG ARG 3 -13.870 4.230 -1.286 22 1HD ARG 3 1HD ARG 3 -12.685 2.989 -3.021 23 2HD ARG 3 2HD ARG 3 -12.305 1.717 -1.861 24 HE ARG 3 HE ARG 3 -14.926 1.679 -1.697 25 1HH1 ARG 3 1HH1 ARG 3 -14.110 1.236 -5.595 26 2HH1 ARG 3 2HH1 ARG 3 -12.947 1.994 -4.562 27 1HH2 ARG 3 1HH2 ARG 3 -16.091 0.483 -4.745 28 2HH2 ARG 3 2HH2 ARG 3 -16.447 0.676 -3.061 29 H VAL 4 H VAL 4 -10.966 5.487 2.804 30 HA VAL 4 HA VAL 4 -8.231 5.952 1.874 31 HB VAL 4 HB VAL 4 -8.003 7.844 3.502 32 1HG1 VAL 4 1HG1 VAL 4 -9.831 8.114 1.129 33 2HG1 VAL 4 2HG1 VAL 4 -9.197 9.498 2.017 34 3HG1 VAL 4 3HG1 VAL 4 -8.091 8.391 1.200 35 1HG2 VAL 4 1HG2 VAL 4 -11.002 7.984 3.416 36 2HG2 VAL 4 2HG2 VAL 4 -10.126 7.202 4.730 37 3HG2 VAL 4 3HG2 VAL 4 -9.888 8.919 4.412 38 H LEU 5 H LEU 5 -6.925 4.688 2.923 39 HA LEU 5 HA LEU 5 -7.681 3.209 5.219 40 1HB LEU 5 1HB LEU 5 -5.149 2.631 5.177 41 2HB LEU 5 2HB LEU 5 -6.226 2.019 3.951 42 HG LEU 5 HG LEU 5 -5.449 3.650 2.379 43 1HD1 LEU 5 1HD1 LEU 5 -4.938 5.600 3.320 44 2HD1 LEU 5 2HD1 LEU 5 -4.266 4.846 4.765 45 3HD1 LEU 5 3HD1 LEU 5 -3.310 4.925 3.286 46 1HD2 LEU 5 1HD2 LEU 5 -2.808 3.001 2.962 47 2HD2 LEU 5 2HD2 LEU 5 -3.782 1.685 3.618 48 3HD2 LEU 5 3HD2 LEU 5 -3.928 2.126 1.915 49 H SER 6 H SER 6 -6.931 3.276 7.316 50 HA SER 6 HA SER 6 -6.257 5.952 8.235 51 1HB SER 6 1HB SER 6 -6.944 5.225 10.398 52 2HB SER 6 2HB SER 6 -8.093 4.531 9.255 53 HG SER 6 HG SER 6 -7.079 3.132 10.981 54 H ARG 7 H ARG 7 -4.976 5.555 10.567 55 HA ARG 7 HA ARG 7 -2.283 5.300 9.809 56 1HB ARG 7 1HB ARG 7 -1.771 5.525 12.171 57 2HB ARG 7 2HB ARG 7 -3.042 6.651 11.723 58 1HG ARG 7 1HG ARG 7 -3.947 4.041 12.741 59 2HG ARG 7 2HG ARG 7 -3.125 5.085 13.901 60 1HD ARG 7 1HD ARG 7 -4.744 6.899 12.848 61 2HD ARG 7 2HD ARG 7 -5.711 5.470 12.485 62 HE ARG 7 HE ARG 7 -5.371 6.692 15.025 63 1HH1 ARG 7 1HH1 ARG 7 -6.489 2.849 14.873 64 2HH1 ARG 7 2HH1 ARG 7 -5.756 3.583 13.487 65 1HH2 ARG 7 1HH2 ARG 7 -6.824 4.069 16.779 66 2HH2 ARG 7 2HH2 ARG 7 -6.337 5.730 16.847 67 H ALA 8 H ALA 8 -4.596 3.014 11.044 68 HA ALA 8 HA ALA 8 -2.668 1.022 11.770 69 1HB ALA 8 1HB ALA 8 -5.656 0.966 11.438 70 2HB ALA 8 2HB ALA 8 -4.715 -0.460 11.876 71 3HB ALA 8 3HB ALA 8 -4.720 0.952 12.933 72 H ASP 9 H ASP 9 -4.536 1.787 8.902 73 HA ASP 9 HA ASP 9 -3.725 -0.678 7.586 74 1HB ASP 9 1HB ASP 9 -5.211 1.622 6.338 75 2HB ASP 9 2HB ASP 9 -5.204 -0.056 5.831 76 H LYS 10 H LYS 10 -3.248 2.835 7.195 77 HA LYS 10 HA LYS 10 -1.561 2.698 4.963 78 1HB LYS 10 1HB LYS 10 -0.921 4.954 5.454 79 2HB LYS 10 2HB LYS 10 -2.629 4.782 5.827 80 1HG LYS 10 1HG LYS 10 -2.291 5.465 7.901 81 2HG LYS 10 2HG LYS 10 -1.070 4.218 8.159 82 1HD LYS 10 1HD LYS 10 0.656 5.629 7.748 83 2HD LYS 10 2HD LYS 10 -0.249 6.554 6.551 84 1HE LYS 10 1HE LYS 10 -0.688 8.120 8.058 85 2HE LYS 10 2HE LYS 10 -1.470 6.929 9.096 86 1HZ LYS 10 1HZ LYS 10 1.469 7.215 9.056 87 2HZ LYS 10 2HZ LYS 10 0.511 8.219 10.022 88 3HZ LYS 10 3HZ LYS 10 0.485 6.544 10.259 89 H GLU 11 H GLU 11 -0.960 2.142 8.339 90 HA GLU 11 HA GLU 11 1.879 2.362 8.214 91 1HB GLU 11 1HB GLU 11 1.908 1.336 10.394 92 2HB GLU 11 2HB GLU 11 0.589 2.492 10.342 93 1HG GLU 11 1HG GLU 11 -1.006 0.890 10.525 94 2HG GLU 11 2HG GLU 11 -0.054 -0.318 9.669 95 H ARG 12 H ARG 12 -0.458 -0.121 7.578 96 HA ARG 12 HA ARG 12 1.206 -2.378 7.552 97 1HB ARG 12 1HB ARG 12 -1.414 -2.057 7.305 98 2HB ARG 12 2HB ARG 12 -1.032 -2.091 5.592 99 1HG ARG 12 1HG ARG 12 -0.185 -4.245 7.506 100 2HG ARG 12 2HG ARG 12 -1.705 -4.283 6.616 101 1HD ARG 12 1HD ARG 12 -0.701 -4.922 4.730 102 2HD ARG 12 2HD ARG 12 0.574 -3.723 4.901 103 HE ARG 12 HE ARG 12 1.558 -5.388 6.551 104 1HH1 ARG 12 1HH1 ARG 12 0.412 -7.891 3.641 105 2HH1 ARG 12 2HH1 ARG 12 -0.354 -6.347 3.782 106 1HH2 ARG 12 1HH2 ARG 12 2.059 -8.500 5.094 107 2HH2 ARG 12 2HH2 ARG 12 2.558 -7.421 6.352 108 H LEU 13 H LEU 13 0.434 0.056 5.140 109 HA LEU 13 HA LEU 13 1.750 -1.139 2.951 110 1HB LEU 13 1HB LEU 13 0.153 0.584 2.555 111 2HB LEU 13 2HB LEU 13 0.992 1.699 3.610 112 HG LEU 13 HG LEU 13 2.925 1.356 1.807 113 1HD1 LEU 13 1HD1 LEU 13 1.144 -0.223 0.630 114 2HD1 LEU 13 2HD1 LEU 13 0.613 1.316 -0.048 115 3HD1 LEU 13 3HD1 LEU 13 2.273 0.772 -0.290 116 1HD2 LEU 13 1HD2 LEU 13 1.518 3.402 2.580 117 2HD2 LEU 13 2HD2 LEU 13 2.393 3.469 1.050 118 3HD2 LEU 13 3HD2 LEU 13 0.657 3.151 1.059 119 H LEU 14 H LEU 14 2.787 0.966 5.549 120 HA LEU 14 HA LEU 14 5.335 1.613 4.512 121 1HB LEU 14 1HB LEU 14 3.962 1.800 7.129 122 2HB LEU 14 2HB LEU 14 5.716 1.842 7.163 123 HG LEU 14 HG LEU 14 3.895 3.746 5.697 124 1HD1 LEU 14 1HD1 LEU 14 5.865 4.390 7.863 125 2HD1 LEU 14 2HD1 LEU 14 4.523 5.363 7.262 126 3HD1 LEU 14 3HD1 LEU 14 4.204 3.920 8.225 127 1HD2 LEU 14 1HD2 LEU 14 5.585 4.303 4.377 128 2HD2 LEU 14 2HD2 LEU 14 6.608 4.612 5.780 129 3HD2 LEU 14 3HD2 LEU 14 6.548 2.999 5.069 130 H GLU 15 H GLU 15 4.178 -0.981 6.619 131 HA GLU 15 HA GLU 15 6.621 -2.068 7.382 132 1HB GLU 15 1HB GLU 15 3.931 -3.344 6.911 133 2HB GLU 15 2HB GLU 15 5.310 -4.254 7.514 134 1HG GLU 15 1HG GLU 15 5.459 -2.724 9.429 135 2HG GLU 15 2HG GLU 15 4.035 -1.872 8.836 136 H LEU 16 H LEU 16 4.584 -2.967 4.605 137 HA LEU 16 HA LEU 16 6.510 -4.772 3.525 138 1HB LEU 16 1HB LEU 16 3.939 -3.582 2.575 139 2HB LEU 16 2HB LEU 16 4.978 -4.400 1.424 140 HG LEU 16 HG LEU 16 4.056 -5.730 3.960 141 1HD1 LEU 16 1HD1 LEU 16 2.125 -4.944 2.566 142 2HD1 LEU 16 2HD1 LEU 16 2.731 -5.974 1.271 143 3HD1 LEU 16 3HD1 LEU 16 2.220 -6.690 2.799 144 1HD2 LEU 16 1HD2 LEU 16 5.476 -6.540 1.481 145 2HD2 LEU 16 2HD2 LEU 16 5.734 -7.046 3.151 146 3HD2 LEU 16 3HD2 LEU 16 4.380 -7.702 2.230 147 H LEU 17 H LEU 17 6.289 -1.404 3.557 148 HA LEU 17 HA LEU 17 7.657 -1.014 1.028 149 1HB LEU 17 1HB LEU 17 6.305 0.713 3.008 150 2HB LEU 17 2HB LEU 17 7.633 1.437 2.124 151 HG LEU 17 HG LEU 17 5.239 1.732 1.222 152 1HD1 LEU 17 1HD1 LEU 17 6.846 0.701 -0.993 153 2HD1 LEU 17 2HD1 LEU 17 6.187 2.312 -0.713 154 3HD1 LEU 17 3HD1 LEU 17 7.694 1.829 0.067 155 1HD2 LEU 17 1HD2 LEU 17 4.096 -0.002 0.411 156 2HD2 LEU 17 2HD2 LEU 17 5.510 -0.657 -0.412 157 3HD2 LEU 17 3HD2 LEU 17 5.230 -1.026 1.287 158 H LYS 18 H LYS 18 8.565 -1.662 4.216 159 HA LYS 18 HA LYS 18 10.538 -1.478 5.357 160 1HB LYS 18 1HB LYS 18 11.190 -2.034 2.582 161 2HB LYS 18 2HB LYS 18 12.470 -1.142 3.387 162 1HG LYS 18 1HG LYS 18 13.190 -3.091 4.169 163 2HG LYS 18 2HG LYS 18 11.766 -3.102 5.211 164 1HD LYS 18 1HD LYS 18 10.519 -4.366 3.601 165 2HD LYS 18 2HD LYS 18 11.810 -4.208 2.407 166 1HE LYS 18 1HE LYS 18 13.098 -5.804 3.385 167 2HE LYS 18 2HE LYS 18 12.536 -5.415 5.010 168 1HZ LYS 18 1HZ LYS 18 10.781 -6.744 3.034 169 2HZ LYS 18 2HZ LYS 18 11.820 -7.626 4.036 170 3HZ LYS 18 3HZ LYS 18 10.603 -6.668 4.715 171 H LEU 19 H LEU 19 9.082 0.954 4.341 172 HA LEU 19 HA LEU 19 11.245 2.928 4.463 173 1HB LEU 19 1HB LEU 19 9.798 2.927 2.458 174 2HB LEU 19 2HB LEU 19 8.403 3.193 3.482 175 HG LEU 19 HG LEU 19 10.506 5.201 3.827 176 1HD1 LEU 19 1HD1 LEU 19 10.971 5.403 1.638 177 2HD1 LEU 19 2HD1 LEU 19 9.542 4.495 1.144 178 3HD1 LEU 19 3HD1 LEU 19 9.401 6.202 1.564 179 1HD2 LEU 19 1HD2 LEU 19 7.590 4.952 3.816 180 2HD2 LEU 19 2HD2 LEU 19 8.635 6.002 4.772 181 3HD2 LEU 19 3HD2 LEU 19 8.188 6.458 3.126 182 HA PRO 20 HA PRO 20 9.958 3.400 8.770 183 1HB PRO 20 1HB PRO 20 11.360 5.988 8.274 184 2HB PRO 20 2HB PRO 20 11.506 4.873 9.636 185 1HG PRO 20 1HG PRO 20 13.360 4.958 7.713 186 2HG PRO 20 2HG PRO 20 12.892 3.430 8.478 187 1HD PRO 20 1HD PRO 20 12.266 4.460 5.770 188 2HD PRO 20 2HD PRO 20 12.411 2.786 6.338 189 H ARG 21 H ARG 21 8.799 5.016 10.037 190 HA ARG 21 HA ARG 21 6.728 6.290 8.455 191 1HB ARG 21 1HB ARG 21 6.828 6.199 11.455 192 2HB ARG 21 2HB ARG 21 5.418 6.355 10.418 193 1HG ARG 21 1HG ARG 21 5.358 4.109 9.931 194 2HG ARG 21 2HG ARG 21 7.074 3.879 10.272 195 1HD ARG 21 1HD ARG 21 6.746 3.723 12.531 196 2HD ARG 21 2HD ARG 21 5.297 4.728 12.497 197 HE ARG 21 HE ARG 21 5.038 2.147 11.217 198 1HH1 ARG 21 1HH1 ARG 21 3.509 2.881 14.847 199 2HH1 ARG 21 2HH1 ARG 21 4.659 3.982 14.165 200 1HH2 ARG 21 1HH2 ARG 21 2.867 1.022 13.685 201 2HH2 ARG 21 2HH2 ARG 21 3.528 0.702 12.116 202 H GLN 22 H GLN 22 9.646 7.201 9.584 203 HA GLN 22 HA GLN 22 8.941 9.807 10.587 204 1HB GLN 22 1HB GLN 22 11.197 10.028 11.134 205 2HB GLN 22 2HB GLN 22 10.872 8.312 11.322 206 1HG GLN 22 1HG GLN 22 12.581 7.877 10.001 207 2HG GLN 22 2HG GLN 22 11.720 8.648 8.671 208 1HE2 GLN 22 1HE2 GLN 22 14.461 10.853 10.775 209 2HE2 GLN 22 2HE2 GLN 22 13.527 9.633 11.564 210 H LEU 23 H LEU 23 9.802 8.411 7.560 211 HA LEU 23 HA LEU 23 10.095 11.091 6.399 212 1HB LEU 23 1HB LEU 23 11.359 10.177 4.621 213 2HB LEU 23 2HB LEU 23 12.014 9.518 6.103 214 HG LEU 23 HG LEU 23 12.015 7.776 4.489 215 1HD1 LEU 23 1HD1 LEU 23 10.763 6.069 5.526 216 2HD1 LEU 23 2HD1 LEU 23 11.182 7.216 6.803 217 3HD1 LEU 23 3HD1 LEU 23 9.558 7.216 6.115 218 1HD2 LEU 23 1HD2 LEU 23 10.151 9.019 3.166 219 2HD2 LEU 23 2HD2 LEU 23 10.347 7.275 3.015 220 3HD2 LEU 23 3HD2 LEU 23 9.084 7.933 4.054 221 H TRP 24 H TRP 24 7.705 9.169 7.022 222 HA TRP 24 HA TRP 24 6.405 8.462 4.669 223 1HB TRP 24 1HB TRP 24 5.593 7.680 6.786 224 2HB TRP 24 2HB TRP 24 5.345 9.320 7.365 225 HD1 TRP 24 HD1 TRP 24 3.110 10.558 6.635 226 HE1 TRP 24 HE1 TRP 24 0.906 9.699 5.623 227 HE3 TRP 24 HE3 TRP 24 4.656 5.925 5.119 228 HZ2 TRP 24 HZ2 TRP 24 -0.055 7.365 4.360 229 HZ3 TRP 24 HZ3 TRP 24 3.028 4.439 4.018 230 HH2 TRP 24 HH2 TRP 24 0.724 5.150 3.645 231 H GLY 25 H GLY 25 6.445 9.946 3.029 232 1HA GLY 25 1HA GLY 25 4.489 11.780 2.646 233 2HA GLY 25 2HA GLY 25 5.732 12.710 3.470 234 H ASP 26 H ASP 26 7.882 11.107 2.231 235 HA ASP 26 HA ASP 26 8.192 12.688 -0.140 236 1HB ASP 26 1HB ASP 26 10.037 12.010 1.486 237 2HB ASP 26 2HB ASP 26 9.973 10.417 0.740 238 H PHE 27 H PHE 27 6.678 12.072 -1.637 239 HA PHE 27 HA PHE 27 5.784 9.597 -2.337 240 1HB PHE 27 1HB PHE 27 4.931 11.718 -3.268 241 2HB PHE 27 2HB PHE 27 6.374 11.838 -4.270 242 HD1 PHE 27 HD1 PHE 27 4.220 8.897 -3.508 243 HD2 PHE 27 HD2 PHE 27 5.651 11.619 -6.451 244 HE1 PHE 27 HE1 PHE 27 3.113 7.575 -5.264 245 HE2 PHE 27 HE2 PHE 27 4.546 10.302 -8.212 246 HZ PHE 27 HZ PHE 27 3.274 8.278 -7.619 247 H GLY 28 H GLY 28 8.775 11.128 -3.435 248 1HA GLY 28 1HA GLY 28 9.465 9.210 -5.375 249 2HA GLY 28 2HA GLY 28 10.586 10.294 -4.569 250 H ARG 29 H ARG 29 10.017 9.261 -1.895 251 HA ARG 29 HA ARG 29 11.816 7.011 -2.001 252 1HB ARG 29 1HB ARG 29 10.911 8.917 0.005 253 2HB ARG 29 2HB ARG 29 11.010 7.282 0.640 254 1HG ARG 29 1HG ARG 29 13.362 7.334 -0.556 255 2HG ARG 29 2HG ARG 29 13.161 9.074 -0.348 256 1HD ARG 29 1HD ARG 29 13.623 8.946 1.826 257 2HD ARG 29 2HD ARG 29 12.456 7.647 2.062 258 HE ARG 29 HE ARG 29 14.170 6.129 1.974 259 1HH1 ARG 29 1HH1 ARG 29 16.974 8.708 0.734 260 2HH1 ARG 29 2HH1 ARG 29 15.317 9.208 0.795 261 1HH2 ARG 29 1HH2 ARG 29 17.560 6.584 1.357 262 2HH2 ARG 29 2HH2 ARG 29 16.348 5.470 1.893 263 H MET 30 H MET 30 8.450 7.551 -0.995 264 HA MET 30 HA MET 30 7.972 4.954 -0.048 265 1HB MET 30 1HB MET 30 5.548 5.485 -0.477 266 2HB MET 30 2HB MET 30 6.405 6.643 0.527 267 1HG MET 30 1HG MET 30 6.631 8.143 -1.371 268 2HG MET 30 2HG MET 30 5.803 6.979 -2.401 269 1HE MET 30 1HE MET 30 3.990 9.286 1.103 270 2HE MET 30 2HE MET 30 4.359 7.589 1.406 271 3HE MET 30 3HE MET 30 5.646 8.700 0.936 272 H GLN 31 H GLN 31 7.400 6.349 -3.281 273 HA GLN 31 HA GLN 31 6.369 3.959 -4.397 274 1HB GLN 31 1HB GLN 31 6.181 6.339 -5.324 275 2HB GLN 31 2HB GLN 31 7.801 6.097 -5.963 276 1HG GLN 31 1HG GLN 31 6.912 4.052 -7.130 277 2HG GLN 31 2HG GLN 31 5.300 4.590 -6.664 278 1HE2 GLN 31 1HE2 GLN 31 6.809 5.920 -10.016 279 2HE2 GLN 31 2HE2 GLN 31 7.236 4.466 -9.186 280 H GLN 32 H GLN 32 9.610 5.260 -4.057 281 HA GLN 32 HA GLN 32 10.980 3.547 -5.792 282 1HB GLN 32 1HB GLN 32 11.638 5.417 -3.697 283 2HB GLN 32 2HB GLN 32 12.650 3.985 -3.561 284 1HG GLN 32 1HG GLN 32 13.130 4.289 -6.042 285 2HG GLN 32 2HG GLN 32 12.416 5.892 -5.860 286 1HE2 GLN 32 1HE2 GLN 32 15.693 6.935 -5.236 287 2HE2 GLN 32 2HE2 GLN 32 14.388 6.880 -6.365 288 H ALA 33 H ALA 33 10.107 3.189 -2.387 289 HA ALA 33 HA ALA 33 11.351 0.658 -2.036 290 1HB ALA 33 1HB ALA 33 9.451 0.732 -0.094 291 2HB ALA 33 2HB ALA 33 11.041 1.486 0.028 292 3HB ALA 33 3HB ALA 33 9.644 2.447 -0.459 293 H TYR 34 H TYR 34 8.067 1.695 -2.843 294 HA TYR 34 HA TYR 34 6.725 -0.717 -2.642 295 1HB TYR 34 1HB TYR 34 5.642 1.469 -3.115 296 2HB TYR 34 2HB TYR 34 6.282 1.409 -4.753 297 HD1 TYR 34 HD1 TYR 34 3.474 0.704 -2.746 298 HD2 TYR 34 HD2 TYR 34 5.668 -0.792 -6.088 299 HE1 TYR 34 HE1 TYR 34 1.518 -0.596 -3.472 300 HE2 TYR 34 HE2 TYR 34 3.703 -2.072 -6.814 301 HH TYR 34 HH TYR 34 0.625 -1.545 -5.629 302 H LYS 35 H LYS 35 8.482 0.598 -5.438 303 HA LYS 35 HA LYS 35 8.014 -1.626 -7.122 304 1HB LYS 35 1HB LYS 35 9.371 0.887 -7.288 305 2HB LYS 35 2HB LYS 35 10.441 -0.375 -7.883 306 1HG LYS 35 1HG LYS 35 8.688 -1.119 -9.427 307 2HG LYS 35 2HG LYS 35 7.642 0.178 -8.846 308 1HD LYS 35 1HD LYS 35 9.152 1.846 -9.675 309 2HD LYS 35 2HD LYS 35 10.355 0.622 -10.085 310 1HE LYS 35 1HE LYS 35 9.369 1.060 -12.133 311 2HE LYS 35 2HE LYS 35 8.487 -0.364 -11.580 312 1HZ LYS 35 1HZ LYS 35 6.657 0.822 -11.917 313 2HZ LYS 35 2HZ LYS 35 7.080 1.755 -10.571 314 3HZ LYS 35 3HZ LYS 35 7.517 2.263 -12.124 315 H GLN 36 H GLN 36 10.452 -0.894 -4.731 316 HA GLN 36 HA GLN 36 12.292 -2.922 -5.498 317 1HB GLN 36 1HB GLN 36 12.007 -0.990 -3.312 318 2HB GLN 36 2HB GLN 36 12.754 -2.502 -2.814 319 1HG GLN 36 1HG GLN 36 13.696 -0.938 -5.195 320 2HG GLN 36 2HG GLN 36 14.305 -0.658 -3.565 321 1HE2 GLN 36 1HE2 GLN 36 16.802 -2.957 -4.241 322 2HE2 GLN 36 2HE2 GLN 36 16.359 -1.336 -3.843 323 H GLN 37 H GLN 37 9.577 -2.803 -3.241 324 HA GLN 37 HA GLN 37 10.082 -5.539 -2.389 325 1HB GLN 37 1HB GLN 37 8.535 -3.274 -1.388 326 2HB GLN 37 2HB GLN 37 7.668 -4.800 -1.280 327 1HG GLN 37 1HG GLN 37 10.462 -4.867 -0.366 328 2HG GLN 37 2HG GLN 37 9.364 -3.883 0.601 329 1HE2 GLN 37 1HE2 GLN 37 8.590 -6.764 2.366 330 2HE2 GLN 37 2HE2 GLN 37 9.262 -5.173 2.366 331 H SER 38 H SER 38 8.100 -3.827 -4.636 332 HA SER 38 HA SER 38 6.070 -5.822 -4.897 333 1HB SER 38 1HB SER 38 5.337 -4.587 -6.841 334 2HB SER 38 2HB SER 38 5.777 -3.430 -5.585 335 HG SER 38 HG SER 38 7.945 -3.547 -6.753 336 H LEU 39 H LEU 39 9.204 -5.264 -6.322 337 HA LEU 39 HA LEU 39 8.887 -7.089 -8.491 338 1HB LEU 39 1HB LEU 39 10.972 -5.359 -7.432 339 2HB LEU 39 2HB LEU 39 11.611 -6.890 -8.003 340 HG LEU 39 HG LEU 39 9.773 -5.279 -9.739 341 1HD1 LEU 39 1HD1 LEU 39 12.640 -4.755 -9.114 342 2HD1 LEU 39 2HD1 LEU 39 12.051 -4.498 -10.756 343 3HD1 LEU 39 3HD1 LEU 39 11.324 -3.619 -9.411 344 1HD2 LEU 39 1HD2 LEU 39 11.750 -7.488 -10.083 345 2HD2 LEU 39 2HD2 LEU 39 10.110 -7.340 -10.711 346 3HD2 LEU 39 3HD2 LEU 39 11.417 -6.401 -11.431 347 H LEU 40 H LEU 40 9.944 -7.392 -5.158 348 HA LEU 40 HA LEU 40 10.996 -10.057 -5.579 349 1HB LEU 40 1HB LEU 40 11.356 -10.081 -3.145 350 2HB LEU 40 2HB LEU 40 12.083 -8.686 -3.919 351 HG LEU 40 HG LEU 40 9.865 -7.490 -3.206 352 1HD1 LEU 40 1HD1 LEU 40 9.869 -9.108 -0.789 353 2HD1 LEU 40 2HD1 LEU 40 8.517 -8.485 -1.734 354 3HD1 LEU 40 3HD1 LEU 40 9.305 -9.991 -2.206 355 1HD2 LEU 40 1HD2 LEU 40 11.953 -6.745 -2.386 356 2HD2 LEU 40 2HD2 LEU 40 10.926 -6.998 -0.975 357 3HD2 LEU 40 3HD2 LEU 40 12.157 -8.189 -1.392 358 H LEU 41 H LEU 41 7.974 -8.624 -4.801 359 HA LEU 41 HA LEU 41 6.910 -11.130 -3.740 360 1HB LEU 41 1HB LEU 41 5.992 -8.301 -3.774 361 2HB LEU 41 2HB LEU 41 4.766 -9.554 -3.727 362 HG LEU 41 HG LEU 41 6.982 -9.735 -1.754 363 1HD1 LEU 41 1HD1 LEU 41 5.262 -8.260 -0.333 364 2HD1 LEU 41 2HD1 LEU 41 6.651 -7.579 -1.177 365 3HD1 LEU 41 3HD1 LEU 41 5.051 -7.508 -1.916 366 1HD2 LEU 41 1HD2 LEU 41 4.522 -10.114 -0.541 367 2HD2 LEU 41 2HD2 LEU 41 4.313 -10.789 -2.157 368 3HD2 LEU 41 3HD2 LEU 41 5.614 -11.372 -1.119 369 H HIS 42 H HIS 42 7.692 -10.430 -6.640 370 HA HIS 42 HA HIS 42 5.173 -10.697 -8.034 371 1HB HIS 42 1HB HIS 42 7.216 -9.340 -8.818 372 2HB HIS 42 2HB HIS 42 7.912 -10.891 -9.271 373 HD1 HIS 42 HD1 HIS 42 7.094 -11.955 -11.414 374 HD2 HIS 42 HD2 HIS 42 4.920 -8.582 -10.340 375 HE1 HIS 42 HE1 HIS 42 5.633 -11.442 -13.392 376 HE2 HIS 42 HE2 HIS 42 4.427 -9.319 -12.770 377 HA PRO 43 HA PRO 43 4.826 -15.117 -7.962 378 1HB PRO 43 1HB PRO 43 4.196 -14.687 -10.855 379 2HB PRO 43 2HB PRO 43 3.341 -15.659 -9.653 380 1HG PRO 43 1HG PRO 43 2.432 -13.253 -10.395 381 2HG PRO 43 2HG PRO 43 2.281 -13.829 -8.726 382 1HD PRO 43 1HD PRO 43 4.062 -11.751 -9.849 383 2HD PRO 43 2HD PRO 43 3.452 -11.945 -8.195 384 H ASP 44 H ASP 44 6.494 -13.553 -10.667 385 HA ASP 44 HA ASP 44 7.880 -15.822 -11.588 386 1HB ASP 44 1HB ASP 44 7.531 -13.571 -12.763 387 2HB ASP 44 2HB ASP 44 8.906 -13.000 -11.822 388 H LYS 45 H LYS 45 8.344 -13.925 -8.791 389 HA LYS 45 HA LYS 45 11.089 -14.945 -8.486 390 1HB LYS 45 1HB LYS 45 9.841 -12.702 -6.906 391 2HB LYS 45 2HB LYS 45 11.543 -13.130 -7.009 392 1HG LYS 45 1HG LYS 45 9.914 -12.115 -9.326 393 2HG LYS 45 2HG LYS 45 10.918 -11.100 -8.290 394 1HD LYS 45 1HD LYS 45 12.901 -12.273 -8.959 395 2HD LYS 45 2HD LYS 45 11.951 -13.466 -9.847 396 1HE LYS 45 1HE LYS 45 11.078 -11.284 -11.082 397 2HE LYS 45 2HE LYS 45 12.644 -10.667 -10.558 398 1HZ LYS 45 1HZ LYS 45 12.274 -12.005 -12.823 399 2HZ LYS 45 2HZ LYS 45 13.742 -11.997 -11.981 400 3HZ LYS 45 3HZ LYS 45 12.669 -13.292 -11.797 401 H GLY 46 H GLY 46 8.651 -16.469 -7.973 402 1HA GLY 46 1HA GLY 46 7.823 -17.909 -6.387 403 2HA GLY 46 2HA GLY 46 9.360 -17.696 -5.563 404 H GLY 47 H GLY 47 6.300 -15.944 -6.104 405 1HA GLY 47 1HA GLY 47 6.267 -15.332 -3.226 406 2HA GLY 47 2HA GLY 47 6.053 -14.033 -4.390 407 H SER 48 H SER 48 4.103 -14.347 -2.582 408 HA SER 48 HA SER 48 2.019 -16.035 -3.710 409 1HB SER 48 1HB SER 48 2.521 -14.742 -1.135 410 2HB SER 48 2HB SER 48 0.848 -14.578 -1.671 411 HG SER 48 HG SER 48 1.861 -16.639 -0.505 412 H HIS 49 H HIS 49 -0.016 -15.234 -4.397 413 HA HIS 49 HA HIS 49 0.175 -12.754 -5.841 414 1HB HIS 49 1HB HIS 49 -1.154 -15.107 -6.277 415 2HB HIS 49 2HB HIS 49 -2.456 -14.061 -5.722 416 HD1 HIS 49 HD1 HIS 49 -1.227 -11.447 -7.096 417 HD2 HIS 49 HD2 HIS 49 -1.974 -15.101 -8.924 418 HE1 HIS 49 HE1 HIS 49 -1.485 -10.932 -9.544 419 HE2 HIS 49 HE2 HIS 49 -1.843 -13.172 -10.642 420 H ALA 50 H ALA 50 -1.790 -14.010 -3.173 421 HA ALA 50 HA ALA 50 -3.430 -11.784 -2.800 422 1HB ALA 50 1HB ALA 50 -2.447 -13.612 -0.619 423 2HB ALA 50 2HB ALA 50 -3.942 -12.678 -0.648 424 3HB ALA 50 3HB ALA 50 -3.727 -14.034 -1.755 425 H LEU 51 H LEU 51 -0.096 -12.269 -1.999 426 HA LEU 51 HA LEU 51 0.068 -10.240 0.007 427 1HB LEU 51 1HB LEU 51 1.953 -11.981 -1.458 428 2HB LEU 51 2HB LEU 51 2.612 -10.468 -0.868 429 HG LEU 51 HG LEU 51 1.561 -11.180 1.405 430 1HD1 LEU 51 1HD1 LEU 51 0.632 -13.275 -0.062 431 2HD1 LEU 51 2HD1 LEU 51 2.093 -13.959 0.648 432 3HD1 LEU 51 3HD1 LEU 51 0.841 -13.282 1.689 433 1HD2 LEU 51 1HD2 LEU 51 3.633 -12.627 1.823 434 2HD2 LEU 51 2HD2 LEU 51 4.040 -12.301 0.138 435 3HD2 LEU 51 3HD2 LEU 51 3.886 -10.968 1.282 436 H MET 52 H MET 52 1.345 -10.369 -3.323 437 HA MET 52 HA MET 52 2.142 -7.720 -3.510 438 1HB MET 52 1HB MET 52 2.723 -9.487 -5.138 439 2HB MET 52 2HB MET 52 1.072 -9.452 -5.739 440 1HG MET 52 1HG MET 52 2.526 -8.207 -7.205 441 2HG MET 52 2HG MET 52 1.372 -7.126 -6.427 442 1HE MET 52 1HE MET 52 2.683 -4.994 -7.011 443 2HE MET 52 2HE MET 52 2.062 -4.941 -5.361 444 3HE MET 52 3HE MET 52 3.689 -4.358 -5.711 445 H GLN 53 H GLN 53 -1.005 -9.154 -4.308 446 HA GLN 53 HA GLN 53 -2.160 -6.768 -5.294 447 1HB GLN 53 1HB GLN 53 -4.308 -7.940 -5.041 448 2HB GLN 53 2HB GLN 53 -3.101 -8.945 -5.832 449 1HG GLN 53 1HG GLN 53 -3.718 -10.516 -4.385 450 2HG GLN 53 2HG GLN 53 -2.771 -9.613 -3.205 451 1HE2 GLN 53 1HE2 GLN 53 -5.481 -8.927 -1.201 452 2HE2 GLN 53 2HE2 GLN 53 -3.773 -9.074 -1.412 453 H GLU 54 H GLU 54 -1.771 -8.083 -2.089 454 HA GLU 54 HA GLU 54 -3.709 -6.524 -0.761 455 1HB GLU 54 1HB GLU 54 -1.441 -8.229 -0.007 456 2HB GLU 54 2HB GLU 54 -1.763 -6.927 1.132 457 1HG GLU 54 1HG GLU 54 -4.252 -8.073 0.488 458 2HG GLU 54 2HG GLU 54 -3.134 -9.404 0.785 459 H LEU 55 H LEU 55 -0.320 -5.954 -1.554 460 HA LEU 55 HA LEU 55 -0.062 -3.541 -0.088 461 1HB LEU 55 1HB LEU 55 1.906 -4.738 -0.650 462 2HB LEU 55 2HB LEU 55 1.486 -4.775 -2.349 463 HG LEU 55 HG LEU 55 1.749 -2.218 -2.278 464 1HD1 LEU 55 1HD1 LEU 55 2.845 -1.210 -0.534 465 2HD1 LEU 55 2HD1 LEU 55 1.866 -2.395 0.332 466 3HD1 LEU 55 3HD1 LEU 55 3.573 -2.717 0.024 467 1HD2 LEU 55 1HD2 LEU 55 4.397 -3.387 -1.790 468 2HD2 LEU 55 2HD2 LEU 55 3.405 -4.243 -2.972 469 3HD2 LEU 55 3HD2 LEU 55 3.773 -2.532 -3.202 470 H ASN 56 H ASN 56 -1.092 -4.316 -3.351 471 HA ASN 56 HA ASN 56 -1.023 -1.696 -4.401 472 1HB ASN 56 1HB ASN 56 -1.755 -4.277 -5.314 473 2HB ASN 56 2HB ASN 56 -3.136 -3.222 -5.604 474 1HD2 ASN 56 1HD2 ASN 56 0.017 -3.107 -8.016 475 2HD2 ASN 56 2HD2 ASN 56 -0.267 -4.326 -6.825 476 H SER 57 H SER 57 -3.350 -3.408 -2.446 477 HA SER 57 HA SER 57 -5.533 -1.637 -2.899 478 1HB SER 57 1HB SER 57 -5.545 -3.009 -0.312 479 2HB SER 57 2HB SER 57 -6.693 -3.110 -1.646 480 HG SER 57 HG SER 57 -4.651 -4.779 -0.984 481 H LEU 58 H LEU 58 -2.828 -1.671 -0.687 482 HA LEU 58 HA LEU 58 -3.940 0.498 0.895 483 1HB LEU 58 1HB LEU 58 -1.367 -1.054 1.079 484 2HB LEU 58 2HB LEU 58 -1.718 0.325 2.102 485 HG LEU 58 HG LEU 58 -3.829 -1.711 2.109 486 1HD1 LEU 58 1HD1 LEU 58 -2.417 -3.461 2.180 487 2HD1 LEU 58 2HD1 LEU 58 -1.026 -2.460 2.596 488 3HD1 LEU 58 3HD1 LEU 58 -2.172 -2.941 3.847 489 1HD2 LEU 58 1HD2 LEU 58 -4.200 -0.311 3.831 490 2HD2 LEU 58 2HD2 LEU 58 -3.028 -1.325 4.674 491 3HD2 LEU 58 3HD2 LEU 58 -2.511 0.184 3.924 492 H TRP 59 H TRP 59 -1.623 -0.010 -1.651 493 HA TRP 59 HA TRP 59 -0.554 2.683 -1.432 494 1HB TRP 59 1HB TRP 59 1.030 0.966 -1.993 495 2HB TRP 59 2HB TRP 59 0.004 0.369 -3.287 496 HD1 TRP 59 HD1 TRP 59 0.511 1.231 -5.638 497 HE1 TRP 59 HE1 TRP 59 2.004 3.070 -6.638 498 HE3 TRP 59 HE3 TRP 59 2.026 3.514 -1.312 499 HZ2 TRP 59 HZ2 TRP 59 3.612 5.194 -5.729 500 HZ3 TRP 59 HZ3 TRP 59 3.552 5.436 -1.476 501 HH2 TRP 59 HH2 TRP 59 4.326 6.258 -3.635 502 H GLY 60 H GLY 60 -3.019 0.946 -3.082 503 1HA GLY 60 1HA GLY 60 -3.267 2.688 -5.339 504 2HA GLY 60 2HA GLY 60 -4.440 1.492 -4.812 505 H THR 61 H THR 61 -5.413 2.194 -2.506 506 HA THR 61 HA THR 61 -7.054 4.411 -2.974 507 HB THR 61 HB THR 61 -6.976 2.461 -1.057 508 HG1 THR 61 HG1 THR 61 -8.805 3.751 -1.675 509 1HG2 THR 61 1HG2 THR 61 -6.941 3.599 1.121 510 2HG2 THR 61 2HG2 THR 61 -5.355 3.406 0.367 511 3HG2 THR 61 3HG2 THR 61 -6.164 4.975 0.339 512 H PHE 62 H PHE 62 -4.193 3.972 -1.048 513 HA PHE 62 HA PHE 62 -3.677 6.454 0.008 514 1HB PHE 62 1HB PHE 62 -2.313 4.470 0.427 515 2HB PHE 62 2HB PHE 62 -1.776 4.463 -1.251 516 HD1 PHE 62 HD1 PHE 62 0.539 4.454 -0.702 517 HD2 PHE 62 HD2 PHE 62 -2.019 7.560 0.716 518 HE1 PHE 62 HE1 PHE 62 2.502 5.784 -0.054 519 HE2 PHE 62 HE2 PHE 62 -0.050 8.891 1.355 520 HZ PHE 62 HZ PHE 62 2.212 7.999 0.967 521 H LYS 63 H LYS 63 -2.572 5.202 -3.105 522 HA LYS 63 HA LYS 63 -1.310 7.407 -4.126 523 1HB LYS 63 1HB LYS 63 -2.183 4.912 -5.054 524 2HB LYS 63 2HB LYS 63 -2.858 6.070 -6.169 525 1HG LYS 63 1HG LYS 63 -0.649 6.968 -6.617 526 2HG LYS 63 2HG LYS 63 0.051 5.863 -5.432 527 1HD LYS 63 1HD LYS 63 -1.222 5.202 -8.077 528 2HD LYS 63 2HD LYS 63 0.427 4.871 -7.546 529 1HE LYS 63 1HE LYS 63 -0.658 3.400 -5.738 530 2HE LYS 63 2HE LYS 63 -2.125 3.526 -6.705 531 1HZ LYS 63 1HZ LYS 63 0.432 2.242 -7.414 532 2HZ LYS 63 2HZ LYS 63 -1.131 1.605 -7.485 533 3HZ LYS 63 3HZ LYS 63 -0.633 2.754 -8.621 534 H THR 64 H THR 64 -4.784 6.726 -4.077 535 HA THR 64 HA THR 64 -5.657 8.737 -5.794 536 HB THR 64 HB THR 64 -6.991 7.781 -3.248 537 HG1 THR 64 HG1 THR 64 -6.498 6.168 -4.890 538 1HG2 THR 64 1HG2 THR 64 -8.585 8.662 -5.565 539 2HG2 THR 64 2HG2 THR 64 -8.924 8.769 -3.838 540 3HG2 THR 64 3HG2 THR 64 -7.821 9.920 -4.593 541 H GLU 65 H GLU 65 -4.844 8.837 -2.358 542 HA GLU 65 HA GLU 65 -5.314 11.688 -2.227 543 1HB GLU 65 1HB GLU 65 -4.972 11.544 0.088 544 2HB GLU 65 2HB GLU 65 -5.769 10.033 -0.321 545 1HG GLU 65 1HG GLU 65 -4.151 9.057 0.846 546 2HG GLU 65 2HG GLU 65 -3.123 9.384 -0.544 547 H VAL 66 H VAL 66 -2.732 9.546 -2.915 548 HA VAL 66 HA VAL 66 -0.530 11.006 -2.104 549 HB VAL 66 HB VAL 66 -0.900 9.099 -4.368 550 1HG1 VAL 66 1HG1 VAL 66 0.878 10.019 -5.380 551 2HG1 VAL 66 2HG1 VAL 66 1.329 10.949 -3.953 552 3HG1 VAL 66 3HG1 VAL 66 1.807 9.258 -4.089 553 1HG2 VAL 66 1HG2 VAL 66 0.557 7.694 -2.962 554 2HG2 VAL 66 2HG2 VAL 66 0.620 8.989 -1.765 555 3HG2 VAL 66 3HG2 VAL 66 -0.909 8.188 -2.116 556 H TYR 67 H TYR 67 -2.463 11.253 -5.030 557 HA TYR 67 HA TYR 67 -0.851 13.170 -6.348 558 1HB TYR 67 1HB TYR 67 -3.292 11.764 -6.844 559 2HB TYR 67 2HB TYR 67 -3.563 13.475 -7.153 560 HD1 TYR 67 HD1 TYR 67 -2.561 14.565 -9.033 561 HD2 TYR 67 HD2 TYR 67 -1.579 10.528 -8.124 562 HE1 TYR 67 HE1 TYR 67 -1.487 14.338 -11.234 563 HE2 TYR 67 HE2 TYR 67 -0.500 10.289 -10.322 564 HH TYR 67 HH TYR 67 -0.458 11.280 -12.475 565 H ASN 68 H ASN 68 -3.592 13.428 -4.130 566 HA ASN 68 HA ASN 68 -3.629 16.315 -4.371 567 1HB ASN 68 1HB ASN 68 -5.530 16.270 -2.876 568 2HB ASN 68 2HB ASN 68 -5.747 15.058 -4.133 569 1HD2 ASN 68 1HD2 ASN 68 -6.671 12.876 -1.614 570 2HD2 ASN 68 2HD2 ASN 68 -7.113 13.765 -3.027 571 H LEU 69 H LEU 69 -1.900 14.065 -2.530 572 HA LEU 69 HA LEU 69 -1.747 15.444 -0.064 573 1HB LEU 69 1HB LEU 69 -0.215 13.865 0.578 574 2HB LEU 69 2HB LEU 69 -1.001 13.018 -0.734 575 HG LEU 69 HG LEU 69 0.953 14.007 -2.178 576 1HD1 LEU 69 1HD1 LEU 69 2.487 13.758 0.360 577 2HD1 LEU 69 2HD1 LEU 69 2.888 14.625 -1.122 578 3HD1 LEU 69 3HD1 LEU 69 1.698 15.290 -0.005 579 1HD2 LEU 69 1HD2 LEU 69 2.296 11.975 -0.787 580 2HD2 LEU 69 2HD2 LEU 69 0.578 11.592 -0.673 581 3HD2 LEU 69 3HD2 LEU 69 1.327 11.822 -2.252 582 H ARG 70 H ARG 70 0.170 15.606 -3.026 583 HA ARG 70 HA ARG 70 2.030 17.482 -1.929 584 1HB ARG 70 1HB ARG 70 1.568 16.531 -4.751 585 2HB ARG 70 2HB ARG 70 2.834 17.668 -4.309 586 1HG ARG 70 1HG ARG 70 3.820 15.988 -2.826 587 2HG ARG 70 2HG ARG 70 2.561 14.846 -3.296 588 1HD ARG 70 1HD ARG 70 4.059 16.096 -5.506 589 2HD ARG 70 2HD ARG 70 4.977 14.998 -4.480 590 HE ARG 70 HE ARG 70 3.544 13.235 -5.125 591 1HH1 ARG 70 1HH1 ARG 70 1.946 15.446 -8.059 592 2HH1 ARG 70 2HH1 ARG 70 2.835 16.225 -6.797 593 1HH2 ARG 70 1HH2 ARG 70 1.675 13.180 -8.052 594 2HH2 ARG 70 2HH2 ARG 70 2.367 12.222 -6.785 595 H MET 71 H MET 71 -1.053 17.856 -2.657 596 HA MET 71 HA MET 71 -0.719 20.635 -3.565 597 1HB MET 71 1HB MET 71 -2.826 18.593 -4.183 598 2HB MET 71 2HB MET 71 -3.206 20.308 -4.276 599 1HG MET 71 1HG MET 71 -1.911 20.642 -6.110 600 2HG MET 71 2HG MET 71 -0.771 19.370 -5.675 601 1HE MET 71 1HE MET 71 -2.124 18.318 -9.200 602 2HE MET 71 2HE MET 71 -2.424 19.993 -8.733 603 3HE MET 71 3HE MET 71 -0.887 19.226 -8.332 604 H ASN 72 H ASN 72 -0.950 19.202 -0.811 605 HA ASN 72 HA ASN 72 -3.253 20.682 0.243 606 1HB ASN 72 1HB ASN 72 -1.617 18.392 1.319 607 2HB ASN 72 2HB ASN 72 -2.687 19.329 2.357 608 1HD2 ASN 72 1HD2 ASN 72 -5.622 18.268 0.472 609 2HD2 ASN 72 2HD2 ASN 72 -4.879 19.748 0.964 610 H LEU 73 H LEU 73 -0.096 19.833 1.642 611 HA LEU 73 HA LEU 73 0.024 22.400 2.964 612 1HB LEU 73 1HB LEU 73 1.381 19.806 3.196 613 2HB LEU 73 2HB LEU 73 2.421 21.189 3.483 614 HG LEU 73 HG LEU 73 -0.210 20.940 4.903 615 1HD1 LEU 73 1HD1 LEU 73 1.688 18.977 5.091 616 2HD1 LEU 73 2HD1 LEU 73 2.129 20.061 6.410 617 3HD1 LEU 73 3HD1 LEU 73 0.505 19.381 6.334 618 1HD2 LEU 73 1HD2 LEU 73 0.677 23.054 5.242 619 2HD2 LEU 73 2HD2 LEU 73 1.272 22.159 6.640 620 3HD2 LEU 73 3HD2 LEU 73 2.339 22.464 5.269 621 H GLY 74 H GLY 74 0.249 23.825 1.227 622 1HA GLY 74 1HA GLY 74 2.972 23.882 0.111 623 2HA GLY 74 2HA GLY 74 1.589 24.087 -0.952 624 H GLY 75 H GLY 75 2.849 26.128 -1.391 625 1HA GLY 75 1HA GLY 75 1.611 28.389 -0.778 626 2HA GLY 75 2HA GLY 75 2.567 28.167 0.678 627 H THR 76 H THR 76 3.394 27.524 -2.715 628 HA THR 76 HA THR 76 5.944 28.782 -2.410 629 HB THR 76 HB THR 76 6.186 28.311 -4.841 630 HG1 THR 76 HG1 THR 76 4.484 27.157 -5.843 631 1HG2 THR 76 1HG2 THR 76 6.042 26.440 -2.798 632 2HG2 THR 76 2HG2 THR 76 5.100 25.746 -4.118 633 3HG2 THR 76 3HG2 THR 76 6.776 26.230 -4.387 634 H GLY 77 H GLY 77 6.537 30.817 -2.850 635 1HA GLY 77 1HA GLY 77 6.443 32.842 -4.102 636 2HA GLY 77 2HA GLY 77 4.764 32.489 -4.487 637 H PHE 78 H PHE 78 3.520 32.124 -2.189 638 HA PHE 78 HA PHE 78 3.703 34.742 -0.929 639 1HB PHE 78 1HB PHE 78 1.656 32.548 -0.526 640 2HB PHE 78 2HB PHE 78 1.540 34.202 0.067 641 HD1 PHE 78 HD1 PHE 78 0.636 35.894 -1.263 642 HD2 PHE 78 HD2 PHE 78 1.682 32.165 -3.025 643 HE1 PHE 78 HE1 PHE 78 -0.483 36.570 -3.348 644 HE2 PHE 78 HE2 PHE 78 0.566 32.834 -5.113 645 HZ PHE 78 HZ PHE 78 -0.518 35.039 -5.277 646 H GLN 79 H GLN 79 4.745 35.057 0.918 647 HA GLN 79 HA GLN 79 5.595 32.760 2.494 648 1HB GLN 79 1HB GLN 79 6.309 35.693 2.645 649 2HB GLN 79 2HB GLN 79 6.950 34.469 3.733 650 1HG GLN 79 1HG GLN 79 7.915 33.294 1.792 651 2HG GLN 79 2HG GLN 79 7.340 34.597 0.751 652 1HE2 GLN 79 1HE2 GLN 79 10.884 34.901 2.429 653 2HE2 GLN 79 2HE2 GLN 79 9.987 33.444 2.190 Start of MODEL 3 1 1H MET 1 1H MET 1 -19.437 1.879 -1.403 2 2H MET 1 2H MET 1 -18.046 1.133 -2.075 3 3H MET 1 3H MET 1 -18.039 1.642 -0.439 4 HA MET 1 HA MET 1 -17.503 3.085 -2.827 5 1HB MET 1 1HB MET 1 -19.429 4.232 -0.794 6 2HB MET 1 2HB MET 1 -18.641 5.153 -2.067 7 1HG MET 1 1HG MET 1 -19.752 3.278 -3.581 8 2HG MET 1 2HG MET 1 -20.875 3.223 -2.223 9 1HE MET 1 1HE MET 1 -23.187 4.730 -2.649 10 2HE MET 1 2HE MET 1 -23.180 5.237 -4.339 11 3HE MET 1 3HE MET 1 -22.615 3.625 -3.901 12 H ASP 2 H ASP 2 -17.817 3.196 0.716 13 HA ASP 2 HA ASP 2 -15.728 5.013 1.171 14 1HB ASP 2 1HB ASP 2 -17.531 3.490 2.740 15 2HB ASP 2 2HB ASP 2 -15.914 3.149 3.346 16 H ARG 3 H ARG 3 -13.659 4.779 0.673 17 HA ARG 3 HA ARG 3 -12.322 2.252 1.284 18 1HB ARG 3 1HB ARG 3 -12.948 3.085 -1.360 19 2HB ARG 3 2HB ARG 3 -11.211 3.259 -1.155 20 1HG ARG 3 1HG ARG 3 -11.120 0.912 -0.360 21 2HG ARG 3 2HG ARG 3 -12.839 0.764 -0.729 22 1HD ARG 3 1HD ARG 3 -12.233 1.508 -3.087 23 2HD ARG 3 2HD ARG 3 -10.555 1.226 -2.629 24 HE ARG 3 HE ARG 3 -11.781 -1.099 -1.976 25 1HH1 ARG 3 1HH1 ARG 3 -11.834 -0.549 -5.944 26 2HH1 ARG 3 2HH1 ARG 3 -11.654 0.814 -4.892 27 1HH2 ARG 3 1HH2 ARG 3 -12.044 -2.655 -5.072 28 2HH2 ARG 3 2HH2 ARG 3 -12.020 -2.894 -3.356 29 H VAL 4 H VAL 4 -11.694 3.726 3.071 30 HA VAL 4 HA VAL 4 -9.282 5.213 2.300 31 HB VAL 4 HB VAL 4 -9.776 6.904 4.045 32 1HG1 VAL 4 1HG1 VAL 4 -10.692 8.211 2.479 33 2HG1 VAL 4 2HG1 VAL 4 -10.701 6.772 1.459 34 3HG1 VAL 4 3HG1 VAL 4 -12.142 7.215 2.373 35 1HG2 VAL 4 1HG2 VAL 4 -12.599 5.878 4.046 36 2HG2 VAL 4 2HG2 VAL 4 -11.418 5.364 5.249 37 3HG2 VAL 4 3HG2 VAL 4 -11.858 7.065 5.120 38 H LEU 5 H LEU 5 -7.555 4.575 3.370 39 HA LEU 5 HA LEU 5 -7.859 2.785 5.628 40 1HB LEU 5 1HB LEU 5 -5.272 2.733 5.375 41 2HB LEU 5 2HB LEU 5 -6.299 1.876 4.260 42 HG LEU 5 HG LEU 5 -6.029 3.670 2.631 43 1HD1 LEU 5 1HD1 LEU 5 -5.393 5.670 3.261 44 2HD1 LEU 5 2HD1 LEU 5 -4.980 5.072 4.868 45 3HD1 LEU 5 3HD1 LEU 5 -3.786 5.020 3.577 46 1HD2 LEU 5 1HD2 LEU 5 -3.232 3.179 3.138 47 2HD2 LEU 5 2HD2 LEU 5 -4.208 1.729 3.367 48 3HD2 LEU 5 3HD2 LEU 5 -4.262 2.593 1.832 49 H SER 6 H SER 6 -7.007 3.043 7.643 50 HA SER 6 HA SER 6 -6.708 5.813 8.487 51 1HB SER 6 1HB SER 6 -7.056 5.012 10.725 52 2HB SER 6 2HB SER 6 -8.230 4.198 9.688 53 HG SER 6 HG SER 6 -6.480 2.498 9.589 54 H ARG 7 H ARG 7 -5.157 5.574 10.733 55 HA ARG 7 HA ARG 7 -2.553 5.751 9.696 56 1HB ARG 7 1HB ARG 7 -1.860 5.780 12.116 57 2HB ARG 7 2HB ARG 7 -3.072 6.974 11.674 58 1HG ARG 7 1HG ARG 7 -4.245 6.252 13.410 59 2HG ARG 7 2HG ARG 7 -4.564 4.790 12.477 60 1HD ARG 7 1HD ARG 7 -2.131 4.200 13.474 61 2HD ARG 7 2HD ARG 7 -2.748 5.236 14.760 62 HE ARG 7 HE ARG 7 -4.780 3.490 14.296 63 1HH1 ARG 7 1HH1 ARG 7 -1.608 1.628 15.883 64 2HH1 ARG 7 2HH1 ARG 7 -1.393 3.129 15.048 65 1HH2 ARG 7 1HH2 ARG 7 -3.695 0.709 16.080 66 2HH2 ARG 7 2HH2 ARG 7 -5.068 1.514 15.394 67 H ALA 8 H ALA 8 -4.251 3.153 11.358 68 HA ALA 8 HA ALA 8 -2.031 1.457 11.734 69 1HB ALA 8 1HB ALA 8 -4.153 -0.258 11.526 70 2HB ALA 8 2HB ALA 8 -3.658 0.584 12.993 71 3HB ALA 8 3HB ALA 8 -4.933 1.258 11.978 72 H ASP 9 H ASP 9 -4.495 1.557 9.164 73 HA ASP 9 HA ASP 9 -3.453 -0.606 7.688 74 1HB ASP 9 1HB ASP 9 -4.971 1.724 6.535 75 2HB ASP 9 2HB ASP 9 -4.920 0.076 5.931 76 H LYS 10 H LYS 10 -3.131 2.916 7.133 77 HA LYS 10 HA LYS 10 -1.337 2.732 4.998 78 1HB LYS 10 1HB LYS 10 -0.755 5.059 5.475 79 2HB LYS 10 2HB LYS 10 -2.490 4.812 5.565 80 1HG LYS 10 1HG LYS 10 -2.518 5.671 7.596 81 2HG LYS 10 2HG LYS 10 -1.417 4.415 8.152 82 1HD LYS 10 1HD LYS 10 0.451 5.744 7.886 83 2HD LYS 10 2HD LYS 10 -0.327 6.771 6.681 84 1HE LYS 10 1HE LYS 10 -1.808 7.640 8.495 85 2HE LYS 10 2HE LYS 10 -0.842 6.726 9.650 86 1HZ LYS 10 1HZ LYS 10 1.082 8.012 9.063 87 2HZ LYS 10 2HZ LYS 10 0.233 8.830 7.850 88 3HZ LYS 10 3HZ LYS 10 -0.172 9.068 9.474 89 H GLU 11 H GLU 11 -0.851 2.539 8.445 90 HA GLU 11 HA GLU 11 1.985 2.807 8.413 91 1HB GLU 11 1HB GLU 11 0.680 3.154 10.459 92 2HB GLU 11 2HB GLU 11 0.170 1.472 10.433 93 1HG GLU 11 1HG GLU 11 2.764 1.039 10.460 94 2HG GLU 11 2HG GLU 11 2.791 2.653 11.163 95 H ARG 12 H ARG 12 -0.266 0.138 8.089 96 HA ARG 12 HA ARG 12 1.613 -1.968 8.293 97 1HB ARG 12 1HB ARG 12 -0.748 -2.427 8.536 98 2HB ARG 12 2HB ARG 12 -1.079 -1.808 6.924 99 1HG ARG 12 1HG ARG 12 -1.119 -4.269 7.052 100 2HG ARG 12 2HG ARG 12 0.085 -3.653 5.918 101 1HD ARG 12 1HD ARG 12 1.840 -4.347 7.189 102 2HD ARG 12 2HD ARG 12 0.963 -4.132 8.705 103 HE ARG 12 HE ARG 12 -0.179 -6.251 7.248 104 1HH1 ARG 12 1HH1 ARG 12 2.996 -7.110 9.529 105 2HH1 ARG 12 2HH1 ARG 12 2.697 -5.471 9.065 106 1HH2 ARG 12 1HH2 ARG 12 1.585 -8.779 8.844 107 2HH2 ARG 12 2HH2 ARG 12 0.213 -8.404 7.856 108 H LEU 13 H LEU 13 0.478 0.048 5.657 109 HA LEU 13 HA LEU 13 1.640 -1.372 3.516 110 1HB LEU 13 1HB LEU 13 -0.056 0.293 3.126 111 2HB LEU 13 2HB LEU 13 0.923 1.534 3.876 112 HG LEU 13 HG LEU 13 2.560 0.728 1.849 113 1HD1 LEU 13 1HD1 LEU 13 0.371 -0.621 1.165 114 2HD1 LEU 13 2HD1 LEU 13 -0.027 0.931 0.429 115 3HD1 LEU 13 3HD1 LEU 13 1.457 0.095 -0.027 116 1HD2 LEU 13 1HD2 LEU 13 1.451 3.016 2.668 117 2HD2 LEU 13 2HD2 LEU 13 2.308 2.861 1.133 118 3HD2 LEU 13 3HD2 LEU 13 0.543 2.784 1.171 119 H LEU 14 H LEU 14 2.853 0.926 5.823 120 HA LEU 14 HA LEU 14 5.265 1.588 4.486 121 1HB LEU 14 1HB LEU 14 4.164 1.917 7.228 122 2HB LEU 14 2HB LEU 14 5.892 2.129 7.005 123 HG LEU 14 HG LEU 14 3.694 3.693 5.657 124 1HD1 LEU 14 1HD1 LEU 14 5.318 5.475 6.900 125 2HD1 LEU 14 2HD1 LEU 14 3.830 4.827 7.588 126 3HD1 LEU 14 3HD1 LEU 14 5.384 4.113 8.018 127 1HD2 LEU 14 1HD2 LEU 14 6.172 4.900 5.208 128 2HD2 LEU 14 2HD2 LEU 14 6.401 3.193 4.831 129 3HD2 LEU 14 3HD2 LEU 14 5.133 4.114 4.022 130 H GLU 15 H GLU 15 4.430 -0.804 6.963 131 HA GLU 15 HA GLU 15 6.974 -1.729 7.574 132 1HB GLU 15 1HB GLU 15 4.448 -2.404 8.331 133 2HB GLU 15 2HB GLU 15 4.901 -3.815 7.384 134 1HG GLU 15 1HG GLU 15 5.601 -4.444 9.463 135 2HG GLU 15 2HG GLU 15 7.076 -3.717 8.824 136 H LEU 16 H LEU 16 4.768 -2.802 5.009 137 HA LEU 16 HA LEU 16 6.614 -4.731 3.965 138 1HB LEU 16 1HB LEU 16 3.940 -3.681 3.215 139 2HB LEU 16 2HB LEU 16 4.897 -4.408 1.939 140 HG LEU 16 HG LEU 16 4.721 -6.011 4.399 141 1HD1 LEU 16 1HD1 LEU 16 2.286 -5.859 2.651 142 2HD1 LEU 16 2HD1 LEU 16 2.482 -6.672 4.203 143 3HD1 LEU 16 3HD1 LEU 16 2.437 -4.912 4.131 144 1HD2 LEU 16 1HD2 LEU 16 4.620 -6.432 1.441 145 2HD2 LEU 16 2HD2 LEU 16 5.744 -7.093 2.628 146 3HD2 LEU 16 3HD2 LEU 16 4.093 -7.706 2.541 147 H LEU 17 H LEU 17 6.337 -1.371 3.736 148 HA LEU 17 HA LEU 17 7.538 -1.151 1.102 149 1HB LEU 17 1HB LEU 17 6.319 0.700 3.067 150 2HB LEU 17 2HB LEU 17 7.559 1.365 2.028 151 HG LEU 17 HG LEU 17 5.021 1.501 1.378 152 1HD1 LEU 17 1HD1 LEU 17 6.219 0.846 -1.079 153 2HD1 LEU 17 2HD1 LEU 17 6.005 2.438 -0.361 154 3HD1 LEU 17 3HD1 LEU 17 7.482 1.526 -0.060 155 1HD2 LEU 17 1HD2 LEU 17 5.435 -0.819 -0.332 156 2HD2 LEU 17 2HD2 LEU 17 5.269 -1.237 1.372 157 3HD2 LEU 17 3HD2 LEU 17 4.006 -0.311 0.566 158 H LYS 18 H LYS 18 8.669 -1.637 4.228 159 HA LYS 18 HA LYS 18 10.716 -1.402 5.216 160 1HB LYS 18 1HB LYS 18 11.204 -1.869 2.386 161 2HB LYS 18 2HB LYS 18 12.493 -0.938 3.133 162 1HG LYS 18 1HG LYS 18 13.252 -3.068 3.466 163 2HG LYS 18 2HG LYS 18 12.362 -2.803 4.967 164 1HD LYS 18 1HD LYS 18 10.436 -3.768 3.237 165 2HD LYS 18 2HD LYS 18 11.872 -4.703 2.815 166 1HE LYS 18 1HE LYS 18 11.105 -4.345 5.682 167 2HE LYS 18 2HE LYS 18 10.278 -5.546 4.691 168 1HZ LYS 18 1HZ LYS 18 13.113 -5.444 5.491 169 2HZ LYS 18 2HZ LYS 18 12.015 -6.725 5.620 170 3HZ LYS 18 3HZ LYS 18 12.649 -6.304 4.109 171 H LEU 19 H LEU 19 9.052 0.944 4.298 172 HA LEU 19 HA LEU 19 11.080 3.060 4.382 173 1HB LEU 19 1HB LEU 19 9.679 2.987 2.367 174 2HB LEU 19 2HB LEU 19 8.239 3.081 3.357 175 HG LEU 19 HG LEU 19 10.125 5.302 3.754 176 1HD1 LEU 19 1HD1 LEU 19 9.623 4.466 1.110 177 2HD1 LEU 19 2HD1 LEU 19 8.631 5.897 1.394 178 3HD1 LEU 19 3HD1 LEU 19 10.366 5.961 1.655 179 1HD2 LEU 19 1HD2 LEU 19 7.170 4.980 3.312 180 2HD2 LEU 19 2HD2 LEU 19 8.006 5.411 4.801 181 3HD2 LEU 19 3HD2 LEU 19 7.950 6.550 3.460 182 HA PRO 20 HA PRO 20 9.653 3.409 8.662 183 1HB PRO 20 1HB PRO 20 11.097 5.997 8.308 184 2HB PRO 20 2HB PRO 20 11.197 4.824 9.626 185 1HG PRO 20 1HG PRO 20 13.118 4.962 7.792 186 2HG PRO 20 2HG PRO 20 12.578 3.395 8.423 187 1HD PRO 20 1HD PRO 20 12.016 4.679 5.793 188 2HD PRO 20 2HD PRO 20 12.221 2.962 6.189 189 H ARG 21 H ARG 21 8.462 5.005 9.926 190 HA ARG 21 HA ARG 21 6.450 6.318 8.296 191 1HB ARG 21 1HB ARG 21 5.322 6.678 10.527 192 2HB ARG 21 2HB ARG 21 5.557 5.000 10.055 193 1HG ARG 21 1HG ARG 21 6.652 4.599 11.930 194 2HG ARG 21 2HG ARG 21 7.833 5.850 11.537 195 1HD ARG 21 1HD ARG 21 6.273 7.536 12.487 196 2HD ARG 21 2HD ARG 21 5.219 6.214 12.992 197 HE ARG 21 HE ARG 21 7.946 6.033 13.931 198 1HH1 ARG 21 1HH1 ARG 21 4.965 7.230 16.322 199 2HH1 ARG 21 2HH1 ARG 21 4.719 7.184 14.609 200 1HH2 ARG 21 1HH2 ARG 21 6.978 6.612 17.217 201 2HH2 ARG 21 2HH2 ARG 21 8.266 6.091 16.181 202 H GLN 22 H GLN 22 9.360 7.214 9.547 203 HA GLN 22 HA GLN 22 8.672 9.815 10.556 204 1HB GLN 22 1HB GLN 22 10.802 8.189 10.916 205 2HB GLN 22 2HB GLN 22 11.451 9.277 9.698 206 1HG GLN 22 1HG GLN 22 11.513 11.039 11.103 207 2HG GLN 22 2HG GLN 22 10.068 10.536 11.979 208 1HE2 GLN 22 1HE2 GLN 22 13.586 9.964 13.624 209 2HE2 GLN 22 2HE2 GLN 22 13.213 11.086 12.364 210 H LEU 23 H LEU 23 9.729 8.458 7.531 211 HA LEU 23 HA LEU 23 9.857 11.133 6.353 212 1HB LEU 23 1HB LEU 23 11.153 10.236 4.586 213 2HB LEU 23 2HB LEU 23 11.813 9.606 6.077 214 HG LEU 23 HG LEU 23 11.870 7.856 4.463 215 1HD1 LEU 23 1HD1 LEU 23 9.469 7.270 6.169 216 2HD1 LEU 23 2HD1 LEU 23 10.610 6.109 5.490 217 3HD1 LEU 23 3HD1 LEU 23 11.129 7.225 6.758 218 1HD2 LEU 23 1HD2 LEU 23 9.953 9.008 3.135 219 2HD2 LEU 23 2HD2 LEU 23 10.207 7.270 3.011 220 3HD2 LEU 23 3HD2 LEU 23 8.933 7.901 4.049 221 H TRP 24 H TRP 24 7.488 9.166 6.959 222 HA TRP 24 HA TRP 24 6.242 8.409 4.597 223 1HB TRP 24 1HB TRP 24 5.360 7.631 6.659 224 2HB TRP 24 2HB TRP 24 5.154 9.263 7.277 225 HD1 TRP 24 HD1 TRP 24 2.980 10.615 6.464 226 HE1 TRP 24 HE1 TRP 24 0.742 9.812 5.478 227 HE3 TRP 24 HE3 TRP 24 4.344 5.888 5.096 228 HZ2 TRP 24 HZ2 TRP 24 -0.307 7.471 4.288 229 HZ3 TRP 24 HZ3 TRP 24 2.665 4.427 4.040 230 HH2 TRP 24 HH2 TRP 24 0.391 5.210 3.642 231 H GLY 25 H GLY 25 6.045 9.729 2.888 232 1HA GLY 25 1HA GLY 25 4.165 11.558 2.440 233 2HA GLY 25 2HA GLY 25 5.364 12.537 3.269 234 H ASP 26 H ASP 26 7.564 10.916 2.078 235 HA ASP 26 HA ASP 26 7.847 12.465 -0.334 236 1HB ASP 26 1HB ASP 26 9.675 11.831 1.411 237 2HB ASP 26 2HB ASP 26 9.760 10.316 0.518 238 H PHE 27 H PHE 27 6.396 11.690 -1.856 239 HA PHE 27 HA PHE 27 5.701 9.110 -2.442 240 1HB PHE 27 1HB PHE 27 4.759 11.179 -3.504 241 2HB PHE 27 2HB PHE 27 6.171 11.209 -4.557 242 HD1 PHE 27 HD1 PHE 27 5.620 10.546 -6.687 243 HD2 PHE 27 HD2 PHE 27 3.881 8.509 -3.378 244 HE1 PHE 27 HE1 PHE 27 4.496 8.997 -8.236 245 HE2 PHE 27 HE2 PHE 27 2.752 6.962 -4.922 246 HZ PHE 27 HZ PHE 27 3.061 7.202 -7.352 247 H GLY 28 H GLY 28 8.559 10.855 -3.584 248 1HA GLY 28 1HA GLY 28 9.491 8.942 -5.402 249 2HA GLY 28 2HA GLY 28 10.497 10.116 -4.565 250 H ARG 29 H ARG 29 9.822 9.117 -1.909 251 HA ARG 29 HA ARG 29 11.764 6.989 -1.827 252 1HB ARG 29 1HB ARG 29 11.503 8.945 -0.164 253 2HB ARG 29 2HB ARG 29 10.203 7.991 0.539 254 1HG ARG 29 1HG ARG 29 11.758 7.021 1.789 255 2HG ARG 29 2HG ARG 29 12.286 6.192 0.325 256 1HD ARG 29 1HD ARG 29 14.119 7.502 0.092 257 2HD ARG 29 2HD ARG 29 13.313 8.929 0.744 258 HE ARG 29 HE ARG 29 14.250 8.419 2.752 259 1HH1 ARG 29 1HH1 ARG 29 14.669 4.477 2.159 260 2HH1 ARG 29 2HH1 ARG 29 13.959 5.459 0.923 261 1HH2 ARG 29 1HH2 ARG 29 15.362 5.420 4.121 262 2HH2 ARG 29 2HH2 ARG 29 15.180 7.122 4.382 263 H MET 30 H MET 30 8.346 7.332 -0.880 264 HA MET 30 HA MET 30 7.988 4.676 -0.038 265 1HB MET 30 1HB MET 30 5.541 5.131 -0.435 266 2HB MET 30 2HB MET 30 6.362 6.256 0.636 267 1HG MET 30 1HG MET 30 6.544 7.861 -1.193 268 2HG MET 30 2HG MET 30 5.715 6.733 -2.262 269 1HE MET 30 1HE MET 30 3.890 8.863 1.367 270 2HE MET 30 2HE MET 30 4.547 7.245 1.609 271 3HE MET 30 3HE MET 30 5.600 8.550 1.062 272 H GLN 31 H GLN 31 7.283 6.175 -3.203 273 HA GLN 31 HA GLN 31 6.319 3.809 -4.397 274 1HB GLN 31 1HB GLN 31 6.136 6.226 -5.260 275 2HB GLN 31 2HB GLN 31 7.746 5.977 -5.924 276 1HG GLN 31 1HG GLN 31 6.818 3.962 -7.114 277 2HG GLN 31 2HG GLN 31 5.220 4.502 -6.612 278 1HE2 GLN 31 1HE2 GLN 31 7.301 6.595 -9.440 279 2HE2 GLN 31 2HE2 GLN 31 8.125 5.582 -8.308 280 H GLN 32 H GLN 32 9.548 5.202 -4.135 281 HA GLN 32 HA GLN 32 10.887 3.408 -5.837 282 1HB GLN 32 1HB GLN 32 11.839 5.534 -4.924 283 2HB GLN 32 2HB GLN 32 11.999 4.746 -3.362 284 1HG GLN 32 1HG GLN 32 14.015 4.089 -3.985 285 2HG GLN 32 2HG GLN 32 13.247 3.034 -5.172 286 1HE2 GLN 32 1HE2 GLN 32 15.322 6.294 -6.310 287 2HE2 GLN 32 2HE2 GLN 32 15.122 5.841 -4.656 288 H ALA 33 H ALA 33 9.831 3.195 -2.520 289 HA ALA 33 HA ALA 33 11.266 0.750 -1.975 290 1HB ALA 33 1HB ALA 33 9.355 0.978 -0.017 291 2HB ALA 33 2HB ALA 33 10.986 1.643 0.059 292 3HB ALA 33 3HB ALA 33 9.643 2.656 -0.475 293 H TYR 34 H TYR 34 7.934 1.726 -2.661 294 HA TYR 34 HA TYR 34 6.634 -0.695 -2.343 295 1HB TYR 34 1HB TYR 34 5.476 1.439 -2.771 296 2HB TYR 34 2HB TYR 34 6.077 1.432 -4.425 297 HD1 TYR 34 HD1 TYR 34 5.399 -0.560 -5.905 298 HD2 TYR 34 HD2 TYR 34 3.421 0.430 -2.263 299 HE1 TYR 34 HE1 TYR 34 3.439 -1.860 -6.623 300 HE2 TYR 34 HE2 TYR 34 1.469 -0.885 -2.973 301 HH TYR 34 HH TYR 34 0.986 -2.787 -4.541 302 H LYS 35 H LYS 35 8.203 0.596 -5.259 303 HA LYS 35 HA LYS 35 7.685 -1.716 -6.838 304 1HB LYS 35 1HB LYS 35 9.244 0.787 -7.136 305 2HB LYS 35 2HB LYS 35 9.766 -0.574 -8.120 306 1HG LYS 35 1HG LYS 35 8.184 -0.077 -9.581 307 2HG LYS 35 2HG LYS 35 6.972 -0.464 -8.359 308 1HD LYS 35 1HD LYS 35 6.377 1.694 -8.853 309 2HD LYS 35 2HD LYS 35 7.510 1.975 -7.529 310 1HE LYS 35 1HE LYS 35 8.278 3.479 -9.082 311 2HE LYS 35 2HE LYS 35 9.273 2.072 -9.455 312 1HZ LYS 35 1HZ LYS 35 8.545 2.492 -11.529 313 2HZ LYS 35 2HZ LYS 35 7.184 1.622 -11.032 314 3HZ LYS 35 3HZ LYS 35 7.158 3.313 -11.013 315 H GLN 36 H GLN 36 10.283 -0.720 -4.718 316 HA GLN 36 HA GLN 36 12.234 -2.567 -5.538 317 1HB GLN 36 1HB GLN 36 11.977 -0.608 -3.531 318 2HB GLN 36 2HB GLN 36 12.357 -2.106 -2.695 319 1HG GLN 36 1HG GLN 36 14.403 -2.334 -3.755 320 2HG GLN 36 2HG GLN 36 13.952 -1.251 -5.072 321 1HE2 GLN 36 1HE2 GLN 36 15.003 0.377 -1.458 322 2HE2 GLN 36 2HE2 GLN 36 14.209 -1.156 -1.527 323 H GLN 37 H GLN 37 9.625 -2.800 -3.157 324 HA GLN 37 HA GLN 37 10.347 -5.529 -2.482 325 1HB GLN 37 1HB GLN 37 8.016 -3.806 -1.628 326 2HB GLN 37 2HB GLN 37 8.370 -5.407 -0.991 327 1HG GLN 37 1HG GLN 37 10.329 -3.141 -0.833 328 2HG GLN 37 2HG GLN 37 9.111 -3.433 0.405 329 1HE2 GLN 37 1HE2 GLN 37 12.547 -5.390 0.519 330 2HE2 GLN 37 2HE2 GLN 37 12.231 -3.980 -0.427 331 H SER 38 H SER 38 8.349 -3.920 -4.744 332 HA SER 38 HA SER 38 6.383 -5.959 -5.082 333 1HB SER 38 1HB SER 38 7.267 -3.666 -6.842 334 2HB SER 38 2HB SER 38 5.961 -4.766 -7.280 335 HG SER 38 HG SER 38 5.346 -2.772 -6.168 336 H LEU 39 H LEU 39 9.476 -5.202 -6.577 337 HA LEU 39 HA LEU 39 9.343 -7.044 -8.692 338 1HB LEU 39 1HB LEU 39 11.353 -5.346 -7.457 339 2HB LEU 39 2HB LEU 39 12.032 -6.863 -8.017 340 HG LEU 39 HG LEU 39 10.496 -4.883 -9.699 341 1HD1 LEU 39 1HD1 LEU 39 12.764 -4.158 -9.083 342 2HD1 LEU 39 2HD1 LEU 39 13.409 -5.657 -9.754 343 3HD1 LEU 39 3HD1 LEU 39 12.610 -4.489 -10.808 344 1HD2 LEU 39 1HD2 LEU 39 11.661 -7.583 -10.327 345 2HD2 LEU 39 2HD2 LEU 39 10.008 -7.019 -10.572 346 3HD2 LEU 39 3HD2 LEU 39 11.314 -6.380 -11.571 347 H LEU 40 H LEU 40 10.250 -7.424 -5.316 348 HA LEU 40 HA LEU 40 11.166 -10.140 -5.796 349 1HB LEU 40 1HB LEU 40 11.637 -10.211 -3.389 350 2HB LEU 40 2HB LEU 40 12.408 -8.852 -4.181 351 HG LEU 40 HG LEU 40 10.219 -7.598 -3.333 352 1HD1 LEU 40 1HD1 LEU 40 9.069 -8.568 -1.689 353 2HD1 LEU 40 2HD1 LEU 40 9.823 -10.076 -2.204 354 3HD1 LEU 40 3HD1 LEU 40 10.529 -9.138 -0.889 355 1HD2 LEU 40 1HD2 LEU 40 12.883 -8.089 -2.180 356 2HD2 LEU 40 2HD2 LEU 40 12.077 -6.572 -2.580 357 3HD2 LEU 40 3HD2 LEU 40 11.684 -7.409 -1.079 358 H LEU 41 H LEU 41 8.244 -8.552 -5.094 359 HA LEU 41 HA LEU 41 7.034 -10.925 -3.888 360 1HB LEU 41 1HB LEU 41 6.097 -8.096 -4.286 361 2HB LEU 41 2HB LEU 41 4.975 -9.373 -3.859 362 HG LEU 41 HG LEU 41 7.401 -8.712 -2.207 363 1HD1 LEU 41 1HD1 LEU 41 6.212 -7.230 -0.925 364 2HD1 LEU 41 2HD1 LEU 41 5.589 -6.865 -2.533 365 3HD1 LEU 41 3HD1 LEU 41 4.651 -7.876 -1.432 366 1HD2 LEU 41 1HD2 LEU 41 5.988 -9.857 -0.452 367 2HD2 LEU 41 2HD2 LEU 41 4.947 -10.390 -1.773 368 3HD2 LEU 41 3HD2 LEU 41 6.638 -10.891 -1.724 369 H HIS 42 H HIS 42 7.818 -10.184 -6.890 370 HA HIS 42 HA HIS 42 5.285 -10.645 -8.201 371 1HB HIS 42 1HB HIS 42 7.197 -9.106 -9.017 372 2HB HIS 42 2HB HIS 42 7.967 -10.591 -9.561 373 HD1 HIS 42 HD1 HIS 42 4.321 -9.545 -9.859 374 HD2 HIS 42 HD2 HIS 42 7.577 -10.553 -12.239 375 HE1 HIS 42 HE1 HIS 42 3.444 -9.592 -12.215 376 HE2 HIS 42 HE2 HIS 42 5.417 -10.265 -13.631 377 HA PRO 43 HA PRO 43 5.367 -15.088 -8.205 378 1HB PRO 43 1HB PRO 43 4.405 -14.641 -11.004 379 2HB PRO 43 2HB PRO 43 3.770 -15.723 -9.758 380 1HG PRO 43 1HG PRO 43 2.554 -13.424 -10.294 381 2HG PRO 43 2HG PRO 43 2.705 -14.006 -8.626 382 1HD PRO 43 1HD PRO 43 4.164 -11.808 -9.996 383 2HD PRO 43 2HD PRO 43 3.711 -11.974 -8.291 384 H ASP 44 H ASP 44 6.753 -13.210 -10.845 385 HA ASP 44 HA ASP 44 8.178 -15.364 -12.034 386 1HB ASP 44 1HB ASP 44 7.570 -13.088 -13.067 387 2HB ASP 44 2HB ASP 44 8.986 -12.469 -12.224 388 H LYS 45 H LYS 45 8.647 -13.690 -9.148 389 HA LYS 45 HA LYS 45 11.454 -14.566 -9.039 390 1HB LYS 45 1HB LYS 45 10.203 -12.129 -7.759 391 2HB LYS 45 2HB LYS 45 11.841 -12.686 -7.450 392 1HG LYS 45 1HG LYS 45 12.183 -11.042 -9.016 393 2HG LYS 45 2HG LYS 45 12.118 -12.487 -10.025 394 1HD LYS 45 1HD LYS 45 9.666 -11.996 -10.369 395 2HD LYS 45 2HD LYS 45 9.950 -10.444 -9.584 396 1HE LYS 45 1HE LYS 45 10.076 -10.082 -11.928 397 2HE LYS 45 2HE LYS 45 11.719 -10.000 -11.298 398 1HZ LYS 45 1HZ LYS 45 10.746 -11.642 -13.323 399 2HZ LYS 45 2HZ LYS 45 12.307 -11.614 -12.673 400 3HZ LYS 45 3HZ LYS 45 11.141 -12.656 -12.029 401 H GLY 46 H GLY 46 9.008 -16.008 -8.287 402 1HA GLY 46 1HA GLY 46 8.342 -17.414 -6.598 403 2HA GLY 46 2HA GLY 46 9.878 -17.067 -5.819 404 H GLY 47 H GLY 47 6.727 -15.512 -6.438 405 1HA GLY 47 1HA GLY 47 6.713 -14.673 -3.615 406 2HA GLY 47 2HA GLY 47 6.401 -13.490 -4.877 407 H SER 48 H SER 48 4.530 -13.804 -2.966 408 HA SER 48 HA SER 48 2.505 -15.659 -3.928 409 1HB SER 48 1HB SER 48 2.999 -14.168 -1.449 410 2HB SER 48 2HB SER 48 1.305 -14.190 -1.935 411 HG SER 48 HG SER 48 1.563 -16.016 -0.775 412 H HIS 49 H HIS 49 0.517 -15.059 -4.768 413 HA HIS 49 HA HIS 49 0.498 -12.586 -6.223 414 1HB HIS 49 1HB HIS 49 -0.673 -15.066 -6.578 415 2HB HIS 49 2HB HIS 49 -2.038 -14.041 -6.146 416 HD1 HIS 49 HD1 HIS 49 0.860 -13.987 -8.608 417 HD2 HIS 49 HD2 HIS 49 -3.078 -12.714 -8.267 418 HE1 HIS 49 HE1 HIS 49 0.285 -12.987 -10.840 419 HE2 HIS 49 HE2 HIS 49 -2.133 -12.304 -10.641 420 H ALA 50 H ALA 50 -1.422 -13.964 -3.573 421 HA ALA 50 HA ALA 50 -3.235 -11.882 -3.245 422 1HB ALA 50 1HB ALA 50 -2.291 -14.133 -1.632 423 2HB ALA 50 2HB ALA 50 -2.897 -12.771 -0.689 424 3HB ALA 50 3HB ALA 50 -3.928 -13.534 -1.901 425 H LEU 51 H LEU 51 0.087 -12.171 -2.166 426 HA LEU 51 HA LEU 51 0.054 -10.021 -0.326 427 1HB LEU 51 1HB LEU 51 2.099 -11.680 -1.648 428 2HB LEU 51 2HB LEU 51 2.634 -10.079 -1.177 429 HG LEU 51 HG LEU 51 1.444 -10.838 1.115 430 1HD1 LEU 51 1HD1 LEU 51 1.119 -13.117 -0.182 431 2HD1 LEU 51 2HD1 LEU 51 2.768 -13.387 0.380 432 3HD1 LEU 51 3HD1 LEU 51 1.481 -13.072 1.542 433 1HD2 LEU 51 1HD2 LEU 51 4.046 -11.946 1.213 434 2HD2 LEU 51 2HD2 LEU 51 4.098 -10.565 0.117 435 3HD2 LEU 51 3HD2 LEU 51 3.510 -10.361 1.767 436 H MET 52 H MET 52 1.079 -10.214 -3.730 437 HA MET 52 HA MET 52 1.763 -7.488 -3.950 438 1HB MET 52 1HB MET 52 1.896 -9.740 -5.598 439 2HB MET 52 2HB MET 52 0.854 -8.615 -6.458 440 1HG MET 52 1HG MET 52 3.526 -7.823 -5.348 441 2HG MET 52 2HG MET 52 3.318 -8.482 -6.970 442 1HE MET 52 1HE MET 52 2.284 -4.290 -5.493 443 2HE MET 52 2HE MET 52 2.089 -5.729 -4.497 444 3HE MET 52 3HE MET 52 3.691 -5.254 -5.054 445 H GLN 53 H GLN 53 -1.274 -9.163 -4.146 446 HA GLN 53 HA GLN 53 -2.666 -7.013 -5.454 447 1HB GLN 53 1HB GLN 53 -3.786 -9.379 -3.941 448 2HB GLN 53 2HB GLN 53 -4.687 -8.311 -5.009 449 1HG GLN 53 1HG GLN 53 -2.321 -9.801 -6.045 450 2HG GLN 53 2HG GLN 53 -3.872 -10.616 -5.863 451 1HE2 GLN 53 1HE2 GLN 53 -3.446 -7.643 -8.642 452 2HE2 GLN 53 2HE2 GLN 53 -2.421 -7.701 -7.253 453 H GLU 54 H GLU 54 -2.306 -8.186 -2.144 454 HA GLU 54 HA GLU 54 -4.161 -6.440 -0.941 455 1HB GLU 54 1HB GLU 54 -3.209 -8.464 0.142 456 2HB GLU 54 2HB GLU 54 -1.666 -7.634 0.278 457 1HG GLU 54 1HG GLU 54 -3.355 -5.850 1.451 458 2HG GLU 54 2HG GLU 54 -4.086 -7.392 1.898 459 H LEU 55 H LEU 55 -0.665 -6.176 -1.482 460 HA LEU 55 HA LEU 55 -0.238 -3.757 -0.170 461 1HB LEU 55 1HB LEU 55 1.469 -5.381 -1.057 462 2HB LEU 55 2HB LEU 55 1.177 -4.712 -2.649 463 HG LEU 55 HG LEU 55 2.084 -2.598 -2.025 464 1HD1 LEU 55 1HD1 LEU 55 1.117 -2.493 0.241 465 2HD1 LEU 55 2HD1 LEU 55 2.333 -3.645 0.787 466 3HD1 LEU 55 3HD1 LEU 55 2.824 -2.055 0.207 467 1HD2 LEU 55 1HD2 LEU 55 3.546 -5.061 -1.692 468 2HD2 LEU 55 2HD2 LEU 55 4.035 -3.558 -2.476 469 3HD2 LEU 55 3HD2 LEU 55 4.257 -3.758 -0.737 470 H ASN 56 H ASN 56 -1.038 -4.386 -3.577 471 HA ASN 56 HA ASN 56 -0.964 -1.759 -4.499 472 1HB ASN 56 1HB ASN 56 -2.102 -4.306 -5.415 473 2HB ASN 56 2HB ASN 56 -2.970 -2.891 -5.998 474 1HD2 ASN 56 1HD2 ASN 56 0.683 -3.844 -7.431 475 2HD2 ASN 56 2HD2 ASN 56 -0.060 -4.724 -6.143 476 H SER 57 H SER 57 -3.361 -3.413 -2.598 477 HA SER 57 HA SER 57 -5.511 -1.607 -3.073 478 1HB SER 57 1HB SER 57 -5.029 -3.495 -0.754 479 2HB SER 57 2HB SER 57 -6.555 -2.683 -1.108 480 HG SER 57 HG SER 57 -5.405 -4.883 -2.294 481 H LEU 58 H LEU 58 -3.062 -1.890 -0.527 482 HA LEU 58 HA LEU 58 -4.043 0.360 0.950 483 1HB LEU 58 1HB LEU 58 -1.556 -1.318 1.089 484 2HB LEU 58 2HB LEU 58 -1.721 0.127 2.065 485 HG LEU 58 HG LEU 58 -3.878 -1.929 2.204 486 1HD1 LEU 58 1HD1 LEU 58 -2.144 -2.578 4.263 487 2HD1 LEU 58 2HD1 LEU 58 -2.466 -3.534 2.818 488 3HD1 LEU 58 3HD1 LEU 58 -1.098 -2.422 2.851 489 1HD2 LEU 58 1HD2 LEU 58 -2.864 0.333 3.793 490 2HD2 LEU 58 2HD2 LEU 58 -4.503 -0.292 3.623 491 3HD2 LEU 58 3HD2 LEU 58 -3.370 -1.079 4.720 492 H TRP 59 H TRP 59 -1.742 -0.139 -1.615 493 HA TRP 59 HA TRP 59 -0.616 2.520 -1.349 494 1HB TRP 59 1HB TRP 59 0.922 0.760 -1.904 495 2HB TRP 59 2HB TRP 59 -0.091 0.223 -3.236 496 HD1 TRP 59 HD1 TRP 59 0.528 1.097 -5.551 497 HE1 TRP 59 HE1 TRP 59 2.105 2.912 -6.467 498 HE3 TRP 59 HE3 TRP 59 1.932 3.300 -1.132 499 HZ2 TRP 59 HZ2 TRP 59 3.719 4.982 -5.470 500 HZ3 TRP 59 HZ3 TRP 59 3.504 5.187 -1.222 501 HH2 TRP 59 HH2 TRP 59 4.375 6.007 -3.344 502 H GLY 60 H GLY 60 -3.177 0.939 -2.980 503 1HA GLY 60 1HA GLY 60 -3.303 2.698 -5.247 504 2HA GLY 60 2HA GLY 60 -4.545 1.566 -4.738 505 H THR 61 H THR 61 -5.562 2.286 -2.492 506 HA THR 61 HA THR 61 -7.004 4.640 -2.941 507 HB THR 61 HB THR 61 -7.215 2.631 -1.150 508 HG1 THR 61 HG1 THR 61 -8.280 5.213 -0.675 509 1HG2 THR 61 1HG2 THR 61 -6.184 4.929 0.463 510 2HG2 THR 61 2HG2 THR 61 -7.135 3.596 1.114 511 3HG2 THR 61 3HG2 THR 61 -5.554 3.280 0.401 512 H PHE 62 H PHE 62 -4.288 3.938 -0.873 513 HA PHE 62 HA PHE 62 -3.697 6.325 0.327 514 1HB PHE 62 1HB PHE 62 -2.388 4.321 0.706 515 2HB PHE 62 2HB PHE 62 -1.840 4.320 -0.968 516 HD1 PHE 62 HD1 PHE 62 0.477 4.211 -0.375 517 HD2 PHE 62 HD2 PHE 62 -1.984 7.403 1.021 518 HE1 PHE 62 HE1 PHE 62 2.479 5.465 0.304 519 HE2 PHE 62 HE2 PHE 62 0.024 8.657 1.692 520 HZ PHE 62 HZ PHE 62 2.255 7.684 1.328 521 H LYS 63 H LYS 63 -2.726 5.237 -2.866 522 HA LYS 63 HA LYS 63 -1.323 7.474 -3.732 523 1HB LYS 63 1HB LYS 63 -2.129 5.005 -4.749 524 2HB LYS 63 2HB LYS 63 -2.825 6.170 -5.844 525 1HG LYS 63 1HG LYS 63 -0.631 7.138 -6.245 526 2HG LYS 63 2HG LYS 63 0.081 6.010 -5.087 527 1HD LYS 63 1HD LYS 63 -1.175 5.395 -7.751 528 2HD LYS 63 2HD LYS 63 0.491 5.112 -7.243 529 1HE LYS 63 1HE LYS 63 -0.443 3.526 -5.506 530 2HE LYS 63 2HE LYS 63 -1.994 3.680 -6.324 531 1HZ LYS 63 1HZ LYS 63 0.521 2.599 -7.462 532 2HZ LYS 63 2HZ LYS 63 -0.914 1.756 -7.168 533 3HZ LYS 63 3HZ LYS 63 -0.856 2.928 -8.385 534 H THR 64 H THR 64 -4.799 6.762 -3.892 535 HA THR 64 HA THR 64 -5.647 8.776 -5.573 536 HB THR 64 HB THR 64 -6.994 7.841 -3.028 537 HG1 THR 64 HG1 THR 64 -6.487 6.299 -4.815 538 1HG2 THR 64 1HG2 THR 64 -7.853 10.003 -4.116 539 2HG2 THR 64 2HG2 THR 64 -8.424 8.944 -5.405 540 3HG2 THR 64 3HG2 THR 64 -9.005 8.718 -3.756 541 H GLU 65 H GLU 65 -4.703 8.932 -2.204 542 HA GLU 65 HA GLU 65 -5.264 11.768 -2.006 543 1HB GLU 65 1HB GLU 65 -3.660 10.199 -0.004 544 2HB GLU 65 2HB GLU 65 -4.689 11.598 0.265 545 1HG GLU 65 1HG GLU 65 -6.024 9.172 -0.744 546 2HG GLU 65 2HG GLU 65 -5.383 9.096 0.896 547 H VAL 66 H VAL 66 -2.597 9.609 -2.611 548 HA VAL 66 HA VAL 66 -0.427 11.212 -2.096 549 HB VAL 66 HB VAL 66 -0.794 9.130 -4.226 550 1HG1 VAL 66 1HG1 VAL 66 1.052 9.890 -5.222 551 2HG1 VAL 66 2HG1 VAL 66 1.354 11.056 -3.933 552 3HG1 VAL 66 3HG1 VAL 66 1.929 9.398 -3.775 553 1HG2 VAL 66 1HG2 VAL 66 0.718 9.119 -1.613 554 2HG2 VAL 66 2HG2 VAL 66 -0.866 8.397 -1.877 555 3HG2 VAL 66 3HG2 VAL 66 0.543 7.759 -2.723 556 H TYR 67 H TYR 67 -2.353 11.034 -5.074 557 HA TYR 67 HA TYR 67 -0.891 12.845 -6.608 558 1HB TYR 67 1HB TYR 67 -3.859 12.267 -6.589 559 2HB TYR 67 2HB TYR 67 -3.057 13.238 -7.821 560 HD1 TYR 67 HD1 TYR 67 -4.323 10.106 -7.210 561 HD2 TYR 67 HD2 TYR 67 -0.819 11.961 -8.751 562 HE1 TYR 67 HE1 TYR 67 -3.799 8.060 -8.470 563 HE2 TYR 67 HE2 TYR 67 -0.284 9.922 -10.016 564 HH TYR 67 HH TYR 67 -2.027 7.818 -10.929 565 H ASN 68 H ASN 68 -3.043 13.345 -3.947 566 HA ASN 68 HA ASN 68 -3.250 16.207 -4.417 567 1HB ASN 68 1HB ASN 68 -4.593 14.231 -2.666 568 2HB ASN 68 2HB ASN 68 -4.430 15.860 -2.016 569 1HD2 ASN 68 1HD2 ASN 68 -7.377 15.065 -4.493 570 2HD2 ASN 68 2HD2 ASN 68 -6.466 13.909 -3.591 571 H LEU 69 H LEU 69 -1.366 13.974 -2.528 572 HA LEU 69 HA LEU 69 -0.572 15.810 -0.505 573 1HB LEU 69 1HB LEU 69 0.799 14.159 0.316 574 2HB LEU 69 2HB LEU 69 -0.399 13.214 -0.542 575 HG LEU 69 HG LEU 69 1.296 13.225 -2.497 576 1HD1 LEU 69 1HD1 LEU 69 3.278 14.174 -2.229 577 2HD1 LEU 69 2HD1 LEU 69 2.724 14.819 -0.683 578 3HD1 LEU 69 3HD1 LEU 69 3.559 13.268 -0.743 579 1HD2 LEU 69 1HD2 LEU 69 1.509 11.109 -1.871 580 2HD2 LEU 69 2HD2 LEU 69 2.625 11.574 -0.588 581 3HD2 LEU 69 3HD2 LEU 69 0.890 11.534 -0.275 582 H ARG 70 H ARG 70 0.394 15.341 -3.775 583 HA ARG 70 HA ARG 70 2.954 16.590 -3.462 584 1HB ARG 70 1HB ARG 70 1.458 16.172 -6.043 585 2HB ARG 70 2HB ARG 70 3.189 16.404 -5.840 586 1HG ARG 70 1HG ARG 70 3.118 14.231 -4.476 587 2HG ARG 70 2HG ARG 70 1.529 13.991 -5.207 588 1HD ARG 70 1HD ARG 70 3.204 14.711 -7.316 589 2HD ARG 70 2HD ARG 70 4.158 13.600 -6.337 590 HE ARG 70 HE ARG 70 2.095 12.109 -6.520 591 1HH1 ARG 70 1HH1 ARG 70 2.387 13.399 -10.303 592 2HH1 ARG 70 2HH1 ARG 70 3.109 14.324 -9.033 593 1HH2 ARG 70 1HH2 ARG 70 1.286 11.458 -9.834 594 2HH2 ARG 70 2HH2 ARG 70 1.158 10.898 -8.199 595 H MET 71 H MET 71 0.011 17.784 -3.194 596 HA MET 71 HA MET 71 0.659 20.366 -4.440 597 1HB MET 71 1HB MET 71 -1.872 18.881 -4.042 598 2HB MET 71 2HB MET 71 -1.955 20.623 -3.811 599 1HG MET 71 1HG MET 71 -0.835 19.309 -6.273 600 2HG MET 71 2HG MET 71 -2.510 19.836 -6.108 601 1HE MET 71 1HE MET 71 -2.112 22.651 -4.425 602 2HE MET 71 2HE MET 71 -2.247 23.670 -5.857 603 3HE MET 71 3HE MET 71 -3.255 22.230 -5.701 604 H ASN 72 H ASN 72 -1.073 19.064 -1.599 605 HA ASN 72 HA ASN 72 -1.053 21.435 -0.114 606 1HB ASN 72 1HB ASN 72 -1.087 18.580 0.886 607 2HB ASN 72 2HB ASN 72 -1.522 19.999 1.835 608 1HD2 ASN 72 1HD2 ASN 72 -4.584 20.549 0.072 609 2HD2 ASN 72 2HD2 ASN 72 -3.243 21.393 0.760 610 H LEU 73 H LEU 73 0.857 22.493 0.083 611 HA LEU 73 HA LEU 73 3.255 21.066 0.879 612 1HB LEU 73 1HB LEU 73 2.730 23.973 0.264 613 2HB LEU 73 2HB LEU 73 4.294 23.355 0.760 614 HG LEU 73 HG LEU 73 3.057 22.013 -1.568 615 1HD1 LEU 73 1HD1 LEU 73 3.771 24.905 -1.535 616 2HD1 LEU 73 2HD1 LEU 73 4.144 23.940 -2.965 617 3HD1 LEU 73 3HD1 LEU 73 2.479 24.069 -2.399 618 1HD2 LEU 73 1HD2 LEU 73 5.828 23.032 -0.954 619 2HD2 LEU 73 2HD2 LEU 73 5.257 21.376 -0.754 620 3HD2 LEU 73 3HD2 LEU 73 5.375 22.080 -2.366 621 H GLY 74 H GLY 74 2.692 20.363 2.957 622 1HA GLY 74 1HA GLY 74 3.319 20.812 5.229 623 2HA GLY 74 2HA GLY 74 2.855 22.489 4.985 624 H GLY 75 H GLY 75 1.712 22.076 7.056 625 1HA GLY 75 1HA GLY 75 -1.061 21.460 6.487 626 2HA GLY 75 2HA GLY 75 -0.290 20.369 7.627 627 H THR 76 H THR 76 -2.006 21.197 9.059 628 HA THR 76 HA THR 76 -1.844 23.918 9.964 629 HB THR 76 HB THR 76 -3.266 21.589 11.261 630 HG1 THR 76 HG1 THR 76 -4.460 21.650 9.549 631 1HG2 THR 76 1HG2 THR 76 -3.288 23.386 12.777 632 2HG2 THR 76 2HG2 THR 76 -3.601 24.559 11.498 633 3HG2 THR 76 3HG2 THR 76 -4.852 23.409 11.966 634 H GLY 77 H GLY 77 -0.678 24.734 11.597 635 1HA GLY 77 1HA GLY 77 0.160 24.364 13.901 636 2HA GLY 77 2HA GLY 77 0.767 22.819 13.328 637 H PHE 78 H PHE 78 1.027 25.550 11.225 638 HA PHE 78 HA PHE 78 3.865 25.332 11.137 639 1HB PHE 78 1HB PHE 78 3.702 27.293 9.595 640 2HB PHE 78 2HB PHE 78 2.677 25.940 9.134 641 HD1 PHE 78 HD1 PHE 78 2.689 29.283 10.667 642 HD2 PHE 78 HD2 PHE 78 0.326 26.168 9.005 643 HE1 PHE 78 HE1 PHE 78 0.747 30.788 10.635 644 HE2 PHE 78 HE2 PHE 78 -1.627 27.666 8.965 645 HZ PHE 78 HZ PHE 78 -1.417 29.981 9.783 646 H GLN 79 H GLN 79 5.380 27.074 11.549 647 HA GLN 79 HA GLN 79 5.121 28.157 14.138 648 1HB GLN 79 1HB GLN 79 7.130 28.078 12.047 649 2HB GLN 79 2HB GLN 79 7.111 29.641 12.853 650 1HG GLN 79 1HG GLN 79 7.063 27.221 14.561 651 2HG GLN 79 2HG GLN 79 8.566 27.606 13.722 652 1HE2 GLN 79 1HE2 GLN 79 7.189 29.986 16.735 653 2HE2 GLN 79 2HE2 GLN 79 6.145 28.860 15.942 Start of MODEL 4 1 1H MET 1 1H MET 1 -17.068 2.969 6.864 2 2H MET 1 2H MET 1 -15.730 3.111 5.796 3 3H MET 1 3H MET 1 -16.850 4.402 5.947 4 HA MET 1 HA MET 1 -17.692 1.741 5.071 5 1HB MET 1 1HB MET 1 -18.727 4.563 4.739 6 2HB MET 1 2HB MET 1 -19.452 3.150 3.984 7 1HG MET 1 1HG MET 1 -20.776 3.328 5.817 8 2HG MET 1 2HG MET 1 -19.518 2.276 6.463 9 1HE MET 1 1HE MET 1 -20.504 6.552 7.691 10 2HE MET 1 2HE MET 1 -20.283 6.173 5.983 11 3HE MET 1 3HE MET 1 -21.547 5.365 6.908 12 H ASP 2 H ASP 2 -16.494 4.876 3.883 13 HA ASP 2 HA ASP 2 -16.308 4.092 1.172 14 1HB ASP 2 1HB ASP 2 -15.154 6.340 2.795 15 2HB ASP 2 2HB ASP 2 -14.636 6.097 1.130 16 H ARG 3 H ARG 3 -13.870 4.599 0.209 17 HA ARG 3 HA ARG 3 -12.287 2.379 1.272 18 1HB ARG 3 1HB ARG 3 -12.988 2.800 -1.249 19 2HB ARG 3 2HB ARG 3 -11.551 3.813 -1.238 20 1HG ARG 3 1HG ARG 3 -10.595 1.553 -0.088 21 2HG ARG 3 2HG ARG 3 -11.808 0.891 -1.187 22 1HD ARG 3 1HD ARG 3 -10.548 2.762 -2.742 23 2HD ARG 3 2HD ARG 3 -9.226 2.135 -1.761 24 HE ARG 3 HE ARG 3 -10.084 -0.132 -2.549 25 1HH1 ARG 3 1HH1 ARG 3 -10.259 1.925 -5.982 26 2HH1 ARG 3 2HH1 ARG 3 -10.280 2.779 -4.479 27 1HH2 ARG 3 1HH2 ARG 3 -10.130 -0.352 -6.015 28 2HH2 ARG 3 2HH2 ARG 3 -10.053 -1.243 -4.530 29 H VAL 4 H VAL 4 -11.561 3.615 3.101 30 HA VAL 4 HA VAL 4 -9.200 5.207 2.431 31 HB VAL 4 HB VAL 4 -9.706 6.794 4.278 32 1HG1 VAL 4 1HG1 VAL 4 -11.709 6.679 2.025 33 2HG1 VAL 4 2HG1 VAL 4 -11.392 8.094 3.028 34 3HG1 VAL 4 3HG1 VAL 4 -10.123 7.450 1.989 35 1HG2 VAL 4 1HG2 VAL 4 -12.575 6.056 4.194 36 2HG2 VAL 4 2HG2 VAL 4 -11.505 5.039 5.155 37 3HG2 VAL 4 3HG2 VAL 4 -11.623 6.763 5.498 38 H LEU 5 H LEU 5 -7.528 4.285 3.335 39 HA LEU 5 HA LEU 5 -7.809 2.402 5.483 40 1HB LEU 5 1HB LEU 5 -5.220 2.408 5.267 41 2HB LEU 5 2HB LEU 5 -6.210 1.661 4.043 42 HG LEU 5 HG LEU 5 -5.953 3.633 2.633 43 1HD1 LEU 5 1HD1 LEU 5 -5.563 5.512 3.750 44 2HD1 LEU 5 2HD1 LEU 5 -4.719 4.681 5.057 45 3HD1 LEU 5 3HD1 LEU 5 -3.874 5.050 3.552 46 1HD2 LEU 5 1HD2 LEU 5 -4.002 2.911 1.773 47 2HD2 LEU 5 2HD2 LEU 5 -3.168 2.987 3.328 48 3HD2 LEU 5 3HD2 LEU 5 -4.229 1.626 2.961 49 H SER 6 H SER 6 -7.157 2.542 7.552 50 HA SER 6 HA SER 6 -6.896 5.217 8.628 51 1HB SER 6 1HB SER 6 -6.927 3.915 10.845 52 2HB SER 6 2HB SER 6 -8.388 3.862 9.859 53 HG SER 6 HG SER 6 -6.764 1.841 10.633 54 H ARG 7 H ARG 7 -5.371 5.236 10.701 55 HA ARG 7 HA ARG 7 -2.771 5.470 9.829 56 1HB ARG 7 1HB ARG 7 -3.635 6.455 11.917 57 2HB ARG 7 2HB ARG 7 -3.683 4.856 12.646 58 1HG ARG 7 1HG ARG 7 -1.308 4.674 12.584 59 2HG ARG 7 2HG ARG 7 -1.167 6.143 11.619 60 1HD ARG 7 1HD ARG 7 -2.449 6.174 14.330 61 2HD ARG 7 2HD ARG 7 -0.699 6.285 14.147 62 HE ARG 7 HE ARG 7 -2.587 8.355 13.696 63 1HH1 ARG 7 1HH1 ARG 7 0.994 8.598 11.920 64 2HH1 ARG 7 2HH1 ARG 7 0.443 7.075 12.530 65 1HH2 ARG 7 1HH2 ARG 7 -0.313 10.462 12.127 66 2HH2 ARG 7 2HH2 ARG 7 -1.862 10.359 12.894 67 H ALA 8 H ALA 8 -4.338 2.671 11.297 68 HA ALA 8 HA ALA 8 -2.010 1.101 11.602 69 1HB ALA 8 1HB ALA 8 -3.746 0.308 12.874 70 2HB ALA 8 2HB ALA 8 -4.937 0.545 11.594 71 3HB ALA 8 3HB ALA 8 -3.806 -0.805 11.506 72 H ASP 9 H ASP 9 -4.493 1.150 9.043 73 HA ASP 9 HA ASP 9 -3.329 -0.875 7.475 74 1HB ASP 9 1HB ASP 9 -5.034 1.422 6.513 75 2HB ASP 9 2HB ASP 9 -4.796 -0.118 5.702 76 H LYS 10 H LYS 10 -3.209 2.684 6.996 77 HA LYS 10 HA LYS 10 -1.406 2.643 4.870 78 1HB LYS 10 1HB LYS 10 -0.903 4.975 5.413 79 2HB LYS 10 2HB LYS 10 -2.630 4.666 5.517 80 1HG LYS 10 1HG LYS 10 -2.692 4.975 7.766 81 2HG LYS 10 2HG LYS 10 -1.031 4.437 8.003 82 1HD LYS 10 1HD LYS 10 -0.432 6.579 8.136 83 2HD LYS 10 2HD LYS 10 -0.858 6.749 6.432 84 1HE LYS 10 1HE LYS 10 -3.244 6.837 8.003 85 2HE LYS 10 2HE LYS 10 -2.072 7.970 8.676 86 1HZ LYS 10 1HZ LYS 10 -2.021 9.199 6.750 87 2HZ LYS 10 2HZ LYS 10 -2.559 7.927 5.775 88 3HZ LYS 10 3HZ LYS 10 -3.645 8.729 6.793 89 H GLU 11 H GLU 11 -0.891 2.394 8.314 90 HA GLU 11 HA GLU 11 1.942 2.705 8.257 91 1HB GLU 11 1HB GLU 11 0.687 3.031 10.324 92 2HB GLU 11 2HB GLU 11 0.124 1.367 10.276 93 1HG GLU 11 1HG GLU 11 2.723 0.876 10.273 94 2HG GLU 11 2HG GLU 11 2.767 2.461 11.041 95 H ARG 12 H ARG 12 -0.304 0.066 7.883 96 HA ARG 12 HA ARG 12 1.536 -2.081 8.043 97 1HB ARG 12 1HB ARG 12 -1.003 -2.197 8.177 98 2HB ARG 12 2HB ARG 12 -1.019 -2.014 6.430 99 1HG ARG 12 1HG ARG 12 0.333 -4.072 6.242 100 2HG ARG 12 2HG ARG 12 0.215 -4.272 7.993 101 1HD ARG 12 1HD ARG 12 -2.158 -4.517 7.871 102 2HD ARG 12 2HD ARG 12 -2.174 -4.057 6.172 103 HE ARG 12 HE ARG 12 -1.271 -6.165 5.615 104 1HH1 ARG 12 1HH1 ARG 12 -1.922 -7.569 9.311 105 2HH1 ARG 12 2HH1 ARG 12 -1.933 -5.862 9.036 106 1HH2 ARG 12 1HH2 ARG 12 -1.538 -9.013 7.586 107 2HH2 ARG 12 2HH2 ARG 12 -1.259 -8.408 5.986 108 H LEU 13 H LEU 13 0.404 -0.004 5.449 109 HA LEU 13 HA LEU 13 1.498 -1.370 3.260 110 1HB LEU 13 1HB LEU 13 -0.088 0.374 2.899 111 2HB LEU 13 2HB LEU 13 0.895 1.539 3.757 112 HG LEU 13 HG LEU 13 2.583 0.859 1.737 113 1HD1 LEU 13 1HD1 LEU 13 1.543 0.344 -0.215 114 2HD1 LEU 13 2HD1 LEU 13 0.441 -0.466 0.898 115 3HD1 LEU 13 3HD1 LEU 13 0.031 1.123 0.253 116 1HD2 LEU 13 1HD2 LEU 13 0.561 2.942 1.131 117 2HD2 LEU 13 2HD2 LEU 13 1.467 3.097 2.639 118 3HD2 LEU 13 3HD2 LEU 13 2.325 3.023 1.099 119 H LEU 14 H LEU 14 2.855 0.926 5.541 120 HA LEU 14 HA LEU 14 5.313 1.335 4.192 121 1HB LEU 14 1HB LEU 14 4.372 1.763 7.004 122 2HB LEU 14 2HB LEU 14 6.060 1.988 6.592 123 HG LEU 14 HG LEU 14 3.682 3.575 5.669 124 1HD1 LEU 14 1HD1 LEU 14 4.427 4.792 7.389 125 2HD1 LEU 14 2HD1 LEU 14 5.988 3.967 7.426 126 3HD1 LEU 14 3HD1 LEU 14 5.712 5.287 6.287 127 1HD2 LEU 14 1HD2 LEU 14 5.617 4.788 4.333 128 2HD2 LEU 14 2HD2 LEU 14 6.269 3.150 4.278 129 3HD2 LEU 14 3HD2 LEU 14 4.668 3.484 3.619 130 H GLU 15 H GLU 15 4.207 -0.996 6.588 131 HA GLU 15 HA GLU 15 6.642 -2.112 7.339 132 1HB GLU 15 1HB GLU 15 3.836 -3.118 7.205 133 2HB GLU 15 2HB GLU 15 5.121 -4.289 7.461 134 1HG GLU 15 1HG GLU 15 5.445 -2.013 9.196 135 2HG GLU 15 2HG GLU 15 3.845 -2.730 9.378 136 H LEU 16 H LEU 16 4.635 -2.711 4.512 137 HA LEU 16 HA LEU 16 6.383 -4.799 3.524 138 1HB LEU 16 1HB LEU 16 4.032 -3.413 2.238 139 2HB LEU 16 2HB LEU 16 4.877 -4.793 1.565 140 HG LEU 16 HG LEU 16 4.094 -5.539 4.173 141 1HD1 LEU 16 1HD1 LEU 16 1.956 -4.898 4.512 142 2HD1 LEU 16 2HD1 LEU 16 2.469 -3.496 3.573 143 3HD1 LEU 16 3HD1 LEU 16 1.593 -4.810 2.788 144 1HD2 LEU 16 1HD2 LEU 16 4.273 -7.152 2.472 145 2HD2 LEU 16 2HD2 LEU 16 2.551 -7.060 2.844 146 3HD2 LEU 16 3HD2 LEU 16 3.186 -6.264 1.404 147 H LEU 17 H LEU 17 6.141 -1.396 3.324 148 HA LEU 17 HA LEU 17 7.617 -1.173 0.835 149 1HB LEU 17 1HB LEU 17 6.182 0.664 2.649 150 2HB LEU 17 2HB LEU 17 7.534 1.345 1.771 151 HG LEU 17 HG LEU 17 5.163 1.561 0.785 152 1HD1 LEU 17 1HD1 LEU 17 7.307 0.469 -1.011 153 2HD1 LEU 17 2HD1 LEU 17 6.048 1.638 -1.409 154 3HD1 LEU 17 3HD1 LEU 17 7.352 2.087 -0.309 155 1HD2 LEU 17 1HD2 LEU 17 5.231 -0.663 -0.888 156 2HD2 LEU 17 2HD2 LEU 17 5.490 -1.312 0.729 157 3HD2 LEU 17 3HD2 LEU 17 4.066 -0.333 0.393 158 H LYS 18 H LYS 18 8.444 -1.700 4.035 159 HA LYS 18 HA LYS 18 10.386 -1.481 5.214 160 1HB LYS 18 1HB LYS 18 11.145 -1.865 2.430 161 2HB LYS 18 2HB LYS 18 12.348 -0.947 3.321 162 1HG LYS 18 1HG LYS 18 13.153 -2.883 4.050 163 2HG LYS 18 2HG LYS 18 11.682 -3.058 5.008 164 1HD LYS 18 1HD LYS 18 10.681 -4.453 3.448 165 2HD LYS 18 2HD LYS 18 11.706 -3.881 2.131 166 1HE LYS 18 1HE LYS 18 13.434 -5.262 2.690 167 2HE LYS 18 2HE LYS 18 13.030 -5.251 4.404 168 1HZ LYS 18 1HZ LYS 18 12.420 -7.205 2.525 169 2HZ LYS 18 2HZ LYS 18 11.958 -7.154 4.150 170 3HZ LYS 18 3HZ LYS 18 10.951 -6.490 2.965 171 H LEU 19 H LEU 19 8.796 0.882 4.211 172 HA LEU 19 HA LEU 19 10.788 3.009 4.538 173 1HB LEU 19 1HB LEU 19 9.482 2.937 2.421 174 2HB LEU 19 2HB LEU 19 8.014 3.126 3.354 175 HG LEU 19 HG LEU 19 9.994 5.222 3.864 176 1HD1 LEU 19 1HD1 LEU 19 8.676 5.765 1.333 177 2HD1 LEU 19 2HD1 LEU 19 10.357 6.000 1.806 178 3HD1 LEU 19 3HD1 LEU 19 9.820 4.428 1.222 179 1HD2 LEU 19 1HD2 LEU 19 7.817 5.478 4.745 180 2HD2 LEU 19 2HD2 LEU 19 7.920 6.599 3.387 181 3HD2 LEU 19 3HD2 LEU 19 7.067 5.071 3.201 182 HA PRO 20 HA PRO 20 8.968 3.141 8.695 183 1HB PRO 20 1HB PRO 20 10.619 5.622 8.687 184 2HB PRO 20 2HB PRO 20 10.518 4.341 9.898 185 1HG PRO 20 1HG PRO 20 12.604 4.491 8.255 186 2HG PRO 20 2HG PRO 20 11.909 2.921 8.704 187 1HD PRO 20 1HD PRO 20 11.668 4.445 6.156 188 2HD PRO 20 2HD PRO 20 11.745 2.693 6.419 189 H ARG 21 H ARG 21 7.826 4.764 9.981 190 HA ARG 21 HA ARG 21 5.991 6.283 8.338 191 1HB ARG 21 1HB ARG 21 6.082 5.820 11.325 192 2HB ARG 21 2HB ARG 21 4.793 6.668 10.482 193 1HG ARG 21 1HG ARG 21 3.753 4.728 10.263 194 2HG ARG 21 2HG ARG 21 5.039 4.217 9.171 195 1HD ARG 21 1HD ARG 21 4.727 2.593 10.951 196 2HD ARG 21 2HD ARG 21 6.310 3.353 11.069 197 HE ARG 21 HE ARG 21 4.011 4.065 12.774 198 1HH1 ARG 21 1HH1 ARG 21 7.837 3.990 13.957 199 2HH1 ARG 21 2HH1 ARG 21 7.449 3.598 12.319 200 1HH2 ARG 21 1HH2 ARG 21 6.191 4.545 15.434 201 2HH2 ARG 21 2HH2 ARG 21 4.536 4.577 14.926 202 H GLN 22 H GLN 22 8.924 6.913 9.756 203 HA GLN 22 HA GLN 22 8.427 9.536 10.782 204 1HB GLN 22 1HB GLN 22 10.282 7.930 11.466 205 2HB GLN 22 2HB GLN 22 11.097 8.399 9.981 206 1HG GLN 22 1HG GLN 22 10.207 10.647 11.628 207 2HG GLN 22 2HG GLN 22 11.409 9.609 12.394 208 1HE2 GLN 22 1HE2 GLN 22 13.544 11.945 10.779 209 2HE2 GLN 22 2HE2 GLN 22 12.634 11.673 12.222 210 H LEU 23 H LEU 23 9.434 8.198 7.731 211 HA LEU 23 HA LEU 23 9.742 10.913 6.664 212 1HB LEU 23 1HB LEU 23 11.132 10.060 4.944 213 2HB LEU 23 2HB LEU 23 11.703 9.401 6.459 214 HG LEU 23 HG LEU 23 11.868 7.696 4.802 215 1HD1 LEU 23 1HD1 LEU 23 10.561 5.916 5.713 216 2HD1 LEU 23 2HD1 LEU 23 11.033 6.990 7.035 217 3HD1 LEU 23 3HD1 LEU 23 9.397 7.056 6.382 218 1HD2 LEU 23 1HD2 LEU 23 10.026 8.844 3.391 219 2HD2 LEU 23 2HD2 LEU 23 10.270 7.105 3.278 220 3HD2 LEU 23 3HD2 LEU 23 8.951 7.745 4.253 221 H TRP 24 H TRP 24 7.319 9.029 7.081 222 HA TRP 24 HA TRP 24 6.179 8.315 4.654 223 1HB TRP 24 1HB TRP 24 5.194 7.566 6.689 224 2HB TRP 24 2HB TRP 24 4.979 9.207 7.272 225 HD1 TRP 24 HD1 TRP 24 2.855 10.566 6.360 226 HE1 TRP 24 HE1 TRP 24 0.657 9.772 5.275 227 HE3 TRP 24 HE3 TRP 24 4.253 5.831 5.073 228 HZ2 TRP 24 HZ2 TRP 24 -0.350 7.430 4.044 229 HZ3 TRP 24 HZ3 TRP 24 2.625 4.374 3.947 230 HH2 TRP 24 HH2 TRP 24 0.371 5.161 3.439 231 H GLY 25 H GLY 25 6.090 9.647 2.938 232 1HA GLY 25 1HA GLY 25 4.288 11.513 2.394 233 2HA GLY 25 2HA GLY 25 5.441 12.468 3.313 234 H ASP 26 H ASP 26 7.663 10.754 2.196 235 HA ASP 26 HA ASP 26 8.177 12.396 -0.108 236 1HB ASP 26 1HB ASP 26 9.845 11.495 1.704 237 2HB ASP 26 2HB ASP 26 9.898 10.069 0.671 238 H PHE 27 H PHE 27 6.529 11.722 -1.551 239 HA PHE 27 HA PHE 27 5.811 9.235 -2.367 240 1HB PHE 27 1HB PHE 27 4.873 11.401 -3.205 241 2HB PHE 27 2HB PHE 27 6.263 11.526 -4.280 242 HD1 PHE 27 HD1 PHE 27 5.507 11.221 -6.435 243 HD2 PHE 27 HD2 PHE 27 4.116 8.626 -3.364 244 HE1 PHE 27 HE1 PHE 27 4.330 9.865 -8.119 245 HE2 PHE 27 HE2 PHE 27 2.936 7.267 -5.040 246 HZ PHE 27 HZ PHE 27 3.044 7.885 -7.421 247 H GLY 28 H GLY 28 8.691 10.998 -3.407 248 1HA GLY 28 1HA GLY 28 9.509 9.272 -5.450 249 2HA GLY 28 2HA GLY 28 10.574 10.312 -4.519 250 H ARG 29 H ARG 29 10.179 9.134 -1.973 251 HA ARG 29 HA ARG 29 11.958 6.902 -2.244 252 1HB ARG 29 1HB ARG 29 11.032 8.645 -0.102 253 2HB ARG 29 2HB ARG 29 11.172 6.971 0.411 254 1HG ARG 29 1HG ARG 29 13.479 7.722 -1.122 255 2HG ARG 29 2HG ARG 29 13.212 8.872 0.190 256 1HD ARG 29 1HD ARG 29 12.812 6.214 1.169 257 2HD ARG 29 2HD ARG 29 14.361 6.297 0.333 258 HE ARG 29 HE ARG 29 14.349 8.503 1.927 259 1HH1 ARG 29 1HH1 ARG 29 14.551 5.140 4.094 260 2HH1 ARG 29 2HH1 ARG 29 13.905 5.087 2.489 261 1HH2 ARG 29 1HH2 ARG 29 15.286 7.118 4.974 262 2HH2 ARG 29 2HH2 ARG 29 15.202 8.573 4.037 263 H MET 30 H MET 30 8.648 7.271 -0.947 264 HA MET 30 HA MET 30 8.241 4.589 -0.304 265 1HB MET 30 1HB MET 30 5.793 5.118 -0.553 266 2HB MET 30 2HB MET 30 6.686 6.188 0.516 267 1HG MET 30 1HG MET 30 6.776 7.882 -1.199 268 2HG MET 30 2HG MET 30 5.976 6.804 -2.339 269 1HE MET 30 1HE MET 30 4.400 8.960 1.270 270 2HE MET 30 2HE MET 30 4.376 7.229 1.608 271 3HE MET 30 3HE MET 30 5.884 8.016 1.141 272 H GLN 31 H GLN 31 7.571 6.304 -3.352 273 HA GLN 31 HA GLN 31 6.427 4.102 -4.688 274 1HB GLN 31 1HB GLN 31 6.228 6.412 -5.519 275 2HB GLN 31 2HB GLN 31 7.955 6.437 -5.859 276 1HG GLN 31 1HG GLN 31 7.452 4.383 -7.344 277 2HG GLN 31 2HG GLN 31 5.781 4.935 -7.253 278 1HE2 GLN 31 1HE2 GLN 31 8.433 6.727 -9.682 279 2HE2 GLN 31 2HE2 GLN 31 8.820 5.354 -8.707 280 H GLN 32 H GLN 32 9.742 5.218 -4.318 281 HA GLN 32 HA GLN 32 10.953 3.422 -6.122 282 1HB GLN 32 1HB GLN 32 11.914 5.002 -3.761 283 2HB GLN 32 2HB GLN 32 12.971 3.801 -4.488 284 1HG GLN 32 1HG GLN 32 11.778 5.527 -6.479 285 2HG GLN 32 2HG GLN 32 12.669 6.439 -5.263 286 1HE2 GLN 32 1HE2 GLN 32 14.702 4.932 -8.201 287 2HE2 GLN 32 2HE2 GLN 32 13.052 5.446 -8.195 288 H ALA 33 H ALA 33 9.911 3.162 -2.801 289 HA ALA 33 HA ALA 33 11.169 0.607 -2.361 290 1HB ALA 33 1HB ALA 33 9.800 2.584 -0.762 291 2HB ALA 33 2HB ALA 33 9.210 0.961 -0.409 292 3HB ALA 33 3HB ALA 33 10.929 1.325 -0.266 293 H TYR 34 H TYR 34 7.918 1.818 -3.074 294 HA TYR 34 HA TYR 34 6.476 -0.533 -2.791 295 1HB TYR 34 1HB TYR 34 5.369 1.605 -3.192 296 2HB TYR 34 2HB TYR 34 6.067 1.690 -4.808 297 HD1 TYR 34 HD1 TYR 34 5.444 -0.181 -6.448 298 HD2 TYR 34 HD2 TYR 34 3.263 0.610 -2.872 299 HE1 TYR 34 HE1 TYR 34 3.518 -1.402 -7.363 300 HE2 TYR 34 HE2 TYR 34 1.341 -0.630 -3.784 301 HH TYR 34 HH TYR 34 0.613 -1.151 -6.525 302 H LYS 35 H LYS 35 8.326 0.654 -5.562 303 HA LYS 35 HA LYS 35 7.669 -1.596 -7.214 304 1HB LYS 35 1HB LYS 35 9.196 0.886 -7.478 305 2HB LYS 35 2HB LYS 35 9.930 -0.470 -8.323 306 1HG LYS 35 1HG LYS 35 8.409 -0.401 -9.940 307 2HG LYS 35 2HG LYS 35 7.078 -0.340 -8.784 308 1HD LYS 35 1HD LYS 35 8.040 2.159 -8.517 309 2HD LYS 35 2HD LYS 35 8.466 1.847 -10.202 310 1HE LYS 35 1HE LYS 35 6.308 2.842 -10.201 311 2HE LYS 35 2HE LYS 35 6.090 1.133 -10.571 312 1HZ LYS 35 1HZ LYS 35 5.768 0.987 -7.996 313 2HZ LYS 35 2HZ LYS 35 5.356 2.619 -8.152 314 3HZ LYS 35 3HZ LYS 35 4.484 1.444 -9.000 315 H GLN 36 H GLN 36 10.353 -0.666 -5.135 316 HA GLN 36 HA GLN 36 12.164 -2.672 -5.880 317 1HB GLN 36 1HB GLN 36 11.849 -0.798 -3.642 318 2HB GLN 36 2HB GLN 36 12.680 -2.287 -3.207 319 1HG GLN 36 1HG GLN 36 14.147 -1.843 -5.254 320 2HG GLN 36 2HG GLN 36 13.473 -0.215 -5.220 321 1HE2 GLN 36 1HE2 GLN 36 15.993 0.756 -3.072 322 2HE2 GLN 36 2HE2 GLN 36 15.102 1.007 -4.531 323 H GLN 37 H GLN 37 9.487 -2.652 -3.594 324 HA GLN 37 HA GLN 37 10.059 -5.359 -2.725 325 1HB GLN 37 1HB GLN 37 7.669 -3.635 -2.058 326 2HB GLN 37 2HB GLN 37 8.207 -5.078 -1.207 327 1HG GLN 37 1HG GLN 37 9.899 -2.607 -1.432 328 2HG GLN 37 2HG GLN 37 8.738 -2.853 -0.129 329 1HE2 GLN 37 1HE2 GLN 37 10.611 -5.732 1.121 330 2HE2 GLN 37 2HE2 GLN 37 9.002 -5.378 0.601 331 H SER 38 H SER 38 8.153 -3.765 -5.110 332 HA SER 38 HA SER 38 6.120 -5.710 -5.412 333 1HB SER 38 1HB SER 38 7.154 -3.437 -7.023 334 2HB SER 38 2HB SER 38 6.232 -4.668 -7.883 335 HG SER 38 HG SER 38 5.289 -3.484 -5.495 336 H LEU 39 H LEU 39 9.419 -5.523 -6.468 337 HA LEU 39 HA LEU 39 9.219 -7.499 -8.522 338 1HB LEU 39 1HB LEU 39 11.325 -5.888 -7.280 339 2HB LEU 39 2HB LEU 39 11.861 -7.488 -7.755 340 HG LEU 39 HG LEU 39 10.322 -5.981 -9.784 341 1HD1 LEU 39 1HD1 LEU 39 11.668 -4.231 -10.020 342 2HD1 LEU 39 2HD1 LEU 39 12.342 -4.630 -8.440 343 3HD1 LEU 39 3HD1 LEU 39 13.113 -5.237 -9.905 344 1HD2 LEU 39 1HD2 LEU 39 11.621 -8.306 -9.826 345 2HD2 LEU 39 2HD2 LEU 39 11.477 -7.274 -11.249 346 3HD2 LEU 39 3HD2 LEU 39 12.953 -7.246 -10.284 347 H LEU 40 H LEU 40 9.838 -7.563 -5.071 348 HA LEU 40 HA LEU 40 10.584 -10.373 -5.160 349 1HB LEU 40 1HB LEU 40 10.910 -10.184 -2.749 350 2HB LEU 40 2HB LEU 40 11.794 -8.945 -3.617 351 HG LEU 40 HG LEU 40 9.634 -7.513 -3.063 352 1HD1 LEU 40 1HD1 LEU 40 8.548 -8.056 -1.062 353 2HD1 LEU 40 2HD1 LEU 40 8.599 -9.571 -1.958 354 3HD1 LEU 40 3HD1 LEU 40 9.741 -9.286 -0.647 355 1HD2 LEU 40 1HD2 LEU 40 11.731 -8.080 -0.980 356 2HD2 LEU 40 2HD2 LEU 40 11.991 -7.074 -2.405 357 3HD2 LEU 40 3HD2 LEU 40 10.808 -6.593 -1.189 358 H LEU 41 H LEU 41 7.746 -8.528 -4.875 359 HA LEU 41 HA LEU 41 6.310 -10.592 -3.404 360 1HB LEU 41 1HB LEU 41 5.397 -7.935 -4.503 361 2HB LEU 41 2HB LEU 41 4.385 -9.037 -3.588 362 HG LEU 41 HG LEU 41 6.907 -7.782 -2.511 363 1HD1 LEU 41 1HD1 LEU 41 4.028 -6.964 -2.177 364 2HD1 LEU 41 2HD1 LEU 41 5.359 -6.365 -1.188 365 3HD1 LEU 41 3HD1 LEU 41 5.325 -6.026 -2.918 366 1HD2 LEU 41 1HD2 LEU 41 4.848 -9.628 -1.422 367 2HD2 LEU 41 2HD2 LEU 41 6.597 -9.625 -1.196 368 3HD2 LEU 41 3HD2 LEU 41 5.596 -8.450 -0.343 369 H HIS 42 H HIS 42 7.318 -10.397 -6.446 370 HA HIS 42 HA HIS 42 4.850 -11.091 -7.800 371 1HB HIS 42 1HB HIS 42 6.816 -9.711 -8.780 372 2HB HIS 42 2HB HIS 42 7.606 -11.269 -8.997 373 HD1 HIS 42 HD1 HIS 42 5.516 -8.945 -10.730 374 HD2 HIS 42 HD2 HIS 42 5.834 -13.088 -10.634 375 HE1 HIS 42 HE1 HIS 42 4.407 -9.757 -12.835 376 HE2 HIS 42 HE2 HIS 42 4.666 -12.262 -12.784 377 HA PRO 43 HA PRO 43 5.159 -15.432 -6.971 378 1HB PRO 43 1HB PRO 43 3.912 -16.321 -9.284 379 2HB PRO 43 2HB PRO 43 3.086 -15.813 -7.807 380 1HG PRO 43 1HG PRO 43 3.593 -14.281 -10.320 381 2HG PRO 43 2HG PRO 43 2.156 -14.293 -9.281 382 1HD PRO 43 1HD PRO 43 3.915 -12.274 -9.208 383 2HD PRO 43 2HD PRO 43 3.109 -12.847 -7.736 384 H ASP 44 H ASP 44 6.843 -13.868 -9.429 385 HA ASP 44 HA ASP 44 7.937 -16.288 -10.601 386 1HB ASP 44 1HB ASP 44 7.557 -13.674 -11.527 387 2HB ASP 44 2HB ASP 44 9.301 -13.849 -11.367 388 H LYS 45 H LYS 45 8.724 -13.931 -8.186 389 HA LYS 45 HA LYS 45 11.457 -14.994 -7.980 390 1HB LYS 45 1HB LYS 45 10.206 -12.454 -6.934 391 2HB LYS 45 2HB LYS 45 11.803 -13.006 -6.445 392 1HG LYS 45 1HG LYS 45 12.021 -11.362 -8.178 393 2HG LYS 45 2HG LYS 45 12.513 -12.937 -8.807 394 1HD LYS 45 1HD LYS 45 10.706 -13.096 -10.199 395 2HD LYS 45 2HD LYS 45 9.675 -12.118 -9.152 396 1HE LYS 45 1HE LYS 45 10.263 -10.995 -11.281 397 2HE LYS 45 2HE LYS 45 10.786 -10.105 -9.851 398 1HZ LYS 45 1HZ LYS 45 13.015 -11.041 -10.164 399 2HZ LYS 45 2HZ LYS 45 12.497 -11.808 -11.579 400 3HZ LYS 45 3HZ LYS 45 12.523 -10.119 -11.496 401 H GLY 46 H GLY 46 9.079 -16.416 -7.068 402 1HA GLY 46 1HA GLY 46 8.476 -17.712 -5.273 403 2HA GLY 46 2HA GLY 46 10.020 -17.282 -4.554 404 H GLY 47 H GLY 47 7.557 -14.946 -5.453 405 1HA GLY 47 1HA GLY 47 7.419 -14.116 -2.647 406 2HA GLY 47 2HA GLY 47 6.889 -13.173 -4.031 407 H SER 48 H SER 48 5.197 -13.153 -2.027 408 HA SER 48 HA SER 48 3.270 -15.314 -2.309 409 1HB SER 48 1HB SER 48 3.682 -13.067 -0.397 410 2HB SER 48 2HB SER 48 2.035 -13.662 -0.609 411 HG SER 48 HG SER 48 4.227 -15.372 -0.077 412 H HIS 49 H HIS 49 1.124 -15.021 -2.979 413 HA HIS 49 HA HIS 49 0.800 -12.993 -5.011 414 1HB HIS 49 1HB HIS 49 0.072 -15.352 -5.358 415 2HB HIS 49 2HB HIS 49 -1.153 -15.120 -4.114 416 HD1 HIS 49 HD1 HIS 49 -3.374 -14.501 -4.989 417 HD2 HIS 49 HD2 HIS 49 -0.326 -13.349 -7.569 418 HE1 HIS 49 HE1 HIS 49 -4.527 -13.511 -6.994 419 HE2 HIS 49 HE2 HIS 49 -2.665 -12.901 -8.578 420 H ALA 50 H ALA 50 -0.614 -13.807 -1.887 421 HA ALA 50 HA ALA 50 -2.685 -11.887 -1.939 422 1HB ALA 50 1HB ALA 50 -1.945 -13.929 -0.256 423 2HB ALA 50 2HB ALA 50 -1.660 -12.488 0.720 424 3HB ALA 50 3HB ALA 50 -3.254 -12.781 0.023 425 H LEU 51 H LEU 51 0.707 -11.674 -1.178 426 HA LEU 51 HA LEU 51 0.557 -9.205 0.252 427 1HB LEU 51 1HB LEU 51 2.690 -10.963 -0.789 428 2HB LEU 51 2HB LEU 51 3.110 -9.268 -0.642 429 HG LEU 51 HG LEU 51 1.981 -9.724 1.792 430 1HD1 LEU 51 1HD1 LEU 51 2.043 -12.233 0.880 431 2HD1 LEU 51 2HD1 LEU 51 3.675 -12.132 1.543 432 3HD1 LEU 51 3HD1 LEU 51 2.282 -11.823 2.579 433 1HD2 LEU 51 1HD2 LEU 51 4.249 -8.737 1.031 434 2HD2 LEU 51 2HD2 LEU 51 4.117 -9.439 2.643 435 3HD2 LEU 51 3HD2 LEU 51 4.871 -10.359 1.341 436 H MET 52 H MET 52 1.575 -10.044 -3.057 437 HA MET 52 HA MET 52 2.186 -7.511 -3.975 438 1HB MET 52 1HB MET 52 1.878 -10.067 -5.098 439 2HB MET 52 2HB MET 52 0.839 -9.010 -6.042 440 1HG MET 52 1HG MET 52 3.636 -8.170 -5.451 441 2HG MET 52 2HG MET 52 3.330 -9.363 -6.710 442 1HE MET 52 1HE MET 52 4.247 -5.862 -6.429 443 2HE MET 52 2HE MET 52 2.871 -4.891 -6.955 444 3HE MET 52 3HE MET 52 2.794 -5.780 -5.433 445 H GLN 53 H GLN 53 -0.975 -9.144 -4.067 446 HA GLN 53 HA GLN 53 -2.328 -6.970 -5.290 447 1HB GLN 53 1HB GLN 53 -4.384 -8.164 -4.672 448 2HB GLN 53 2HB GLN 53 -3.205 -9.238 -5.412 449 1HG GLN 53 1HG GLN 53 -3.535 -10.596 -3.697 450 2HG GLN 53 2HG GLN 53 -2.657 -9.424 -2.714 451 1HE2 GLN 53 1HE2 GLN 53 -5.756 -10.020 -0.928 452 2HE2 GLN 53 2HE2 GLN 53 -4.289 -10.847 -1.311 453 H GLU 54 H GLU 54 -1.614 -7.808 -1.968 454 HA GLU 54 HA GLU 54 -3.480 -6.112 -0.708 455 1HB GLU 54 1HB GLU 54 -1.911 -7.970 0.269 456 2HB GLU 54 2HB GLU 54 -0.783 -6.640 0.484 457 1HG GLU 54 1HG GLU 54 -2.445 -5.462 1.838 458 2HG GLU 54 2HG GLU 54 -3.560 -6.812 1.633 459 H LEU 55 H LEU 55 -0.051 -5.606 -1.514 460 HA LEU 55 HA LEU 55 0.210 -3.011 -0.562 461 1HB LEU 55 1HB LEU 55 1.905 -4.739 -1.615 462 2HB LEU 55 2HB LEU 55 1.589 -3.826 -3.077 463 HG LEU 55 HG LEU 55 2.436 -1.805 -2.077 464 1HD1 LEU 55 1HD1 LEU 55 1.909 -3.201 0.381 465 2HD1 LEU 55 2HD1 LEU 55 3.574 -2.623 0.348 466 3HD1 LEU 55 3HD1 LEU 55 2.243 -1.492 0.113 467 1HD2 LEU 55 1HD2 LEU 55 3.999 -4.255 -2.241 468 2HD2 LEU 55 2HD2 LEU 55 4.351 -2.641 -2.861 469 3HD2 LEU 55 3HD2 LEU 55 4.724 -3.043 -1.185 470 H ASN 56 H ASN 56 -1.022 -4.181 -3.650 471 HA ASN 56 HA ASN 56 -1.173 -1.672 -4.942 472 1HB ASN 56 1HB ASN 56 -2.424 -4.355 -5.386 473 2HB ASN 56 2HB ASN 56 -3.027 -2.966 -6.286 474 1HD2 ASN 56 1HD2 ASN 56 0.774 -4.327 -6.959 475 2HD2 ASN 56 2HD2 ASN 56 0.003 -4.597 -5.436 476 H SER 57 H SER 57 -3.264 -3.316 -2.690 477 HA SER 57 HA SER 57 -5.535 -1.615 -3.162 478 1HB SER 57 1HB SER 57 -5.851 -3.910 -2.362 479 2HB SER 57 2HB SER 57 -4.950 -3.535 -0.893 480 HG SER 57 HG SER 57 -7.192 -3.392 -0.537 481 H LEU 58 H LEU 58 -2.868 -1.736 -0.875 482 HA LEU 58 HA LEU 58 -3.937 0.414 0.738 483 1HB LEU 58 1HB LEU 58 -1.454 -1.251 0.790 484 2HB LEU 58 2HB LEU 58 -1.517 0.241 1.708 485 HG LEU 58 HG LEU 58 -3.802 -1.565 2.137 486 1HD1 LEU 58 1HD1 LEU 58 -1.054 -2.317 3.122 487 2HD1 LEU 58 2HD1 LEU 58 -2.572 -3.097 3.566 488 3HD1 LEU 58 3HD1 LEU 58 -1.984 -3.193 1.906 489 1HD2 LEU 58 1HD2 LEU 58 -2.447 0.565 3.455 490 2HD2 LEU 58 2HD2 LEU 58 -3.955 -0.231 3.909 491 3HD2 LEU 58 3HD2 LEU 58 -2.414 -0.852 4.503 492 H TRP 59 H TRP 59 -1.636 0.007 -1.853 493 HA TRP 59 HA TRP 59 -0.569 2.677 -1.582 494 1HB TRP 59 1HB TRP 59 0.912 0.883 -2.273 495 2HB TRP 59 2HB TRP 59 -0.146 0.483 -3.618 496 HD1 TRP 59 HD1 TRP 59 0.474 1.505 -5.870 497 HE1 TRP 59 HE1 TRP 59 2.076 3.346 -6.677 498 HE3 TRP 59 HE3 TRP 59 1.970 3.352 -1.326 499 HZ2 TRP 59 HZ2 TRP 59 3.753 5.307 -5.553 500 HZ3 TRP 59 HZ3 TRP 59 3.586 5.205 -1.295 501 HH2 TRP 59 HH2 TRP 59 4.455 6.160 -3.363 502 H GLY 60 H GLY 60 -3.235 1.180 -3.087 503 1HA GLY 60 1HA GLY 60 -3.458 2.977 -5.317 504 2HA GLY 60 2HA GLY 60 -4.685 1.853 -4.759 505 H THR 61 H THR 61 -5.635 2.540 -2.498 506 HA THR 61 HA THR 61 -7.035 4.934 -2.847 507 HB THR 61 HB THR 61 -7.220 2.876 -1.085 508 HG1 THR 61 HG1 THR 61 -8.933 4.007 -0.240 509 1HG2 THR 61 1HG2 THR 61 -6.175 5.156 0.537 510 2HG2 THR 61 2HG2 THR 61 -7.112 3.809 1.181 511 3HG2 THR 61 3HG2 THR 61 -5.537 3.513 0.443 512 H PHE 62 H PHE 62 -4.274 4.118 -0.875 513 HA PHE 62 HA PHE 62 -3.597 6.455 0.372 514 1HB PHE 62 1HB PHE 62 -2.327 4.408 0.653 515 2HB PHE 62 2HB PHE 62 -1.824 4.445 -1.034 516 HD1 PHE 62 HD1 PHE 62 0.506 4.229 -0.427 517 HD2 PHE 62 HD2 PHE 62 -1.849 7.508 0.955 518 HE1 PHE 62 HE1 PHE 62 2.548 5.428 0.233 519 HE2 PHE 62 HE2 PHE 62 0.199 8.709 1.603 520 HZ PHE 62 HZ PHE 62 2.398 7.664 1.240 521 H LYS 63 H LYS 63 -2.625 5.428 -2.848 522 HA LYS 63 HA LYS 63 -1.237 7.662 -3.705 523 1HB LYS 63 1HB LYS 63 -2.124 5.238 -4.763 524 2HB LYS 63 2HB LYS 63 -2.847 6.439 -5.800 525 1HG LYS 63 1HG LYS 63 -0.636 7.392 -6.236 526 2HG LYS 63 2HG LYS 63 0.086 6.178 -5.179 527 1HD LYS 63 1HD LYS 63 -1.259 5.788 -7.839 528 2HD LYS 63 2HD LYS 63 0.380 5.346 -7.362 529 1HE LYS 63 1HE LYS 63 -0.674 3.719 -5.726 530 2HE LYS 63 2HE LYS 63 -2.208 4.044 -6.532 531 1HZ LYS 63 1HZ LYS 63 -1.403 2.172 -7.604 532 2HZ LYS 63 2HZ LYS 63 -0.947 3.419 -8.652 533 3HZ LYS 63 3HZ LYS 63 0.197 2.722 -7.618 534 H THR 64 H THR 64 -4.732 7.002 -3.847 535 HA THR 64 HA THR 64 -5.582 9.106 -5.410 536 HB THR 64 HB THR 64 -6.930 8.195 -2.857 537 HG1 THR 64 HG1 THR 64 -7.681 6.514 -3.946 538 1HG2 THR 64 1HG2 THR 64 -9.009 8.743 -3.997 539 2HG2 THR 64 2HG2 THR 64 -7.981 10.165 -3.808 540 3HG2 THR 64 3HG2 THR 64 -8.096 9.359 -5.374 541 H GLU 65 H GLU 65 -4.536 9.078 -2.076 542 HA GLU 65 HA GLU 65 -5.035 11.912 -1.715 543 1HB GLU 65 1HB GLU 65 -3.467 10.160 0.164 544 2HB GLU 65 2HB GLU 65 -4.390 11.609 0.534 545 1HG GLU 65 1HG GLU 65 -5.963 9.401 -0.580 546 2HG GLU 65 2HG GLU 65 -5.229 9.077 0.989 547 H VAL 66 H VAL 66 -2.415 9.722 -2.447 548 HA VAL 66 HA VAL 66 -0.232 11.327 -1.906 549 HB VAL 66 HB VAL 66 -0.522 9.268 -4.073 550 1HG1 VAL 66 1HG1 VAL 66 1.470 11.151 -3.952 551 2HG1 VAL 66 2HG1 VAL 66 2.161 9.808 -3.047 552 3HG1 VAL 66 3HG1 VAL 66 1.609 9.563 -4.702 553 1HG2 VAL 66 1HG2 VAL 66 0.856 9.050 -1.405 554 2HG2 VAL 66 2HG2 VAL 66 -0.820 8.576 -1.667 555 3HG2 VAL 66 3HG2 VAL 66 0.474 7.753 -2.535 556 H TYR 67 H TYR 67 -1.832 10.910 -5.066 557 HA TYR 67 HA TYR 67 -0.422 12.765 -6.521 558 1HB TYR 67 1HB TYR 67 -2.364 11.175 -7.224 559 2HB TYR 67 2HB TYR 67 -3.397 12.557 -6.871 560 HD1 TYR 67 HD1 TYR 67 -3.461 14.460 -8.329 561 HD2 TYR 67 HD2 TYR 67 -0.706 11.299 -9.048 562 HE1 TYR 67 HE1 TYR 67 -2.994 15.382 -10.559 563 HE2 TYR 67 HE2 TYR 67 -0.233 12.211 -11.282 564 HH TYR 67 HH TYR 67 -2.046 14.930 -12.584 565 H ASN 68 H ASN 68 -2.983 13.315 -4.199 566 HA ASN 68 HA ASN 68 -3.075 16.160 -4.801 567 1HB ASN 68 1HB ASN 68 -4.733 14.261 -3.243 568 2HB ASN 68 2HB ASN 68 -4.680 15.918 -2.649 569 1HD2 ASN 68 1HD2 ASN 68 -7.126 15.014 -5.586 570 2HD2 ASN 68 2HD2 ASN 68 -6.410 13.899 -4.477 571 H LEU 69 H LEU 69 -1.507 14.029 -2.574 572 HA LEU 69 HA LEU 69 -1.188 15.718 -0.374 573 1HB LEU 69 1HB LEU 69 0.311 14.196 0.442 574 2HB LEU 69 2HB LEU 69 -0.513 13.207 -0.743 575 HG LEU 69 HG LEU 69 1.417 13.856 -2.334 576 1HD1 LEU 69 1HD1 LEU 69 3.501 14.064 -0.617 577 2HD1 LEU 69 2HD1 LEU 69 2.759 15.427 -1.456 578 3HD1 LEU 69 3HD1 LEU 69 2.288 15.049 0.202 579 1HD2 LEU 69 1HD2 LEU 69 1.073 11.785 -0.428 580 2HD2 LEU 69 2HD2 LEU 69 1.958 11.736 -1.954 581 3HD2 LEU 69 3HD2 LEU 69 2.787 12.204 -0.469 582 H ARG 70 H ARG 70 0.488 15.621 -3.438 583 HA ARG 70 HA ARG 70 2.551 17.420 -2.609 584 1HB ARG 70 1HB ARG 70 1.761 16.542 -5.384 585 2HB ARG 70 2HB ARG 70 3.225 17.428 -4.976 586 1HG ARG 70 1HG ARG 70 3.700 15.427 -3.400 587 2HG ARG 70 2HG ARG 70 2.516 14.583 -4.402 588 1HD ARG 70 1HD ARG 70 4.788 16.080 -5.651 589 2HD ARG 70 2HD ARG 70 5.027 14.451 -5.024 590 HE ARG 70 HE ARG 70 3.762 15.155 -7.454 591 1HH1 ARG 70 1HH1 ARG 70 2.783 11.660 -5.760 592 2HH1 ARG 70 2HH1 ARG 70 3.546 12.889 -4.809 593 1HH2 ARG 70 1HH2 ARG 70 2.334 12.030 -7.970 594 2HH2 ARG 70 2HH2 ARG 70 2.753 13.540 -8.704 595 H MET 71 H MET 71 -0.569 17.934 -3.034 596 HA MET 71 HA MET 71 -0.174 20.678 -4.021 597 1HB MET 71 1HB MET 71 -2.780 19.178 -4.198 598 2HB MET 71 2HB MET 71 -2.321 20.659 -5.027 599 1HG MET 71 1HG MET 71 -0.910 19.519 -6.514 600 2HG MET 71 2HG MET 71 -0.918 18.057 -5.528 601 1HE MET 71 1HE MET 71 -2.062 17.771 -9.019 602 2HE MET 71 2HE MET 71 -3.192 19.125 -9.033 603 3HE MET 71 3HE MET 71 -1.542 19.358 -8.454 604 H ASN 72 H ASN 72 -2.222 18.636 -1.956 605 HA ASN 72 HA ASN 72 -3.430 20.742 -0.530 606 1HB ASN 72 1HB ASN 72 -2.919 17.921 0.438 607 2HB ASN 72 2HB ASN 72 -4.125 19.040 1.063 608 1HD2 ASN 72 1HD2 ASN 72 -5.816 16.692 -1.202 609 2HD2 ASN 72 2HD2 ASN 72 -4.911 16.590 0.267 610 H LEU 73 H LEU 73 -3.009 21.574 1.539 611 HA LEU 73 HA LEU 73 -0.210 21.273 2.408 612 1HB LEU 73 1HB LEU 73 -1.818 23.587 1.866 613 2HB LEU 73 2HB LEU 73 -1.343 23.600 3.553 614 HG LEU 73 HG LEU 73 1.049 23.128 2.593 615 1HD1 LEU 73 1HD1 LEU 73 0.403 22.784 0.293 616 2HD1 LEU 73 2HD1 LEU 73 -0.360 24.374 0.237 617 3HD1 LEU 73 3HD1 LEU 73 1.390 24.242 0.419 618 1HD2 LEU 73 1HD2 LEU 73 -0.420 25.747 2.612 619 2HD2 LEU 73 2HD2 LEU 73 0.679 25.089 3.825 620 3HD2 LEU 73 3HD2 LEU 73 1.308 25.646 2.274 621 H GLY 74 H GLY 74 -3.269 22.382 3.882 622 1HA GLY 74 1HA GLY 74 -4.384 21.423 5.710 623 2HA GLY 74 2HA GLY 74 -3.019 20.340 5.947 624 H GLY 75 H GLY 75 -4.083 21.449 8.150 625 1HA GLY 75 1HA GLY 75 -2.100 22.435 9.641 626 2HA GLY 75 2HA GLY 75 -2.639 23.886 8.808 627 H THR 76 H THR 76 -5.457 22.753 8.832 628 HA THR 76 HA THR 76 -6.355 24.103 11.126 629 HB THR 76 HB THR 76 -8.554 23.296 10.569 630 HG1 THR 76 HG1 THR 76 -7.474 21.547 8.644 631 1HG2 THR 76 1HG2 THR 76 -8.293 24.863 8.977 632 2HG2 THR 76 2HG2 THR 76 -6.801 24.152 8.362 633 3HG2 THR 76 3HG2 THR 76 -8.359 23.458 7.913 634 H GLY 77 H GLY 77 -7.143 23.394 13.092 635 1HA GLY 77 1HA GLY 77 -7.541 20.768 13.911 636 2HA GLY 77 2HA GLY 77 -5.850 21.132 14.221 637 H PHE 78 H PHE 78 -5.877 23.695 15.070 638 HA PHE 78 HA PHE 78 -7.009 23.429 17.705 639 1HB PHE 78 1HB PHE 78 -5.074 25.212 16.364 640 2HB PHE 78 2HB PHE 78 -6.011 25.958 17.654 641 HD1 PHE 78 HD1 PHE 78 -5.340 25.716 19.851 642 HD2 PHE 78 HD2 PHE 78 -3.908 22.979 16.925 643 HE1 PHE 78 HE1 PHE 78 -3.827 24.728 21.522 644 HE2 PHE 78 HE2 PHE 78 -2.392 21.985 18.590 645 HZ PHE 78 HZ PHE 78 -2.351 22.859 20.892 646 H GLN 79 H GLN 79 -8.719 24.511 18.564 647 HA GLN 79 HA GLN 79 -10.522 25.794 16.692 648 1HB GLN 79 1HB GLN 79 -11.200 24.105 18.490 649 2HB GLN 79 2HB GLN 79 -10.985 25.414 19.645 650 1HG GLN 79 1HG GLN 79 -12.664 26.736 18.456 651 2HG GLN 79 2HG GLN 79 -12.885 25.415 17.310 652 1HE2 GLN 79 1HE2 GLN 79 -14.632 25.346 20.960 653 2HE2 GLN 79 2HE2 GLN 79 -13.515 26.580 20.499 Start of MODEL 5 1 1H MET 1 1H MET 1 -17.786 6.539 -3.245 2 2H MET 1 2H MET 1 -16.176 6.849 -3.750 3 3H MET 1 3H MET 1 -16.923 5.351 -4.130 4 HA MET 1 HA MET 1 -15.771 6.303 -1.647 5 1HB MET 1 1HB MET 1 -18.315 4.756 -1.939 6 2HB MET 1 2HB MET 1 -17.216 4.335 -0.634 7 1HG MET 1 1HG MET 1 -17.424 6.447 0.367 8 2HG MET 1 2HG MET 1 -18.172 7.142 -1.069 9 1HE MET 1 1HE MET 1 -21.265 7.452 1.112 10 2HE MET 1 2HE MET 1 -19.627 7.719 1.710 11 3HE MET 1 3HE MET 1 -20.063 8.226 0.078 12 H ASP 2 H ASP 2 -13.954 5.542 -3.031 13 HA ASP 2 HA ASP 2 -13.747 2.827 -3.817 14 1HB ASP 2 1HB ASP 2 -12.316 5.055 -4.374 15 2HB ASP 2 2HB ASP 2 -11.251 4.294 -3.196 16 H ARG 3 H ARG 3 -11.355 1.893 -2.871 17 HA ARG 3 HA ARG 3 -12.082 1.171 -0.144 18 1HB ARG 3 1HB ARG 3 -11.554 -0.615 -1.749 19 2HB ARG 3 2HB ARG 3 -9.944 0.056 -1.965 20 1HG ARG 3 1HG ARG 3 -9.417 -1.521 -0.446 21 2HG ARG 3 2HG ARG 3 -9.918 -0.265 0.688 22 1HD ARG 3 1HD ARG 3 -11.457 -1.646 1.488 23 2HD ARG 3 2HD ARG 3 -12.255 -1.629 -0.083 24 HE ARG 3 HE ARG 3 -10.196 -3.584 0.712 25 1HH1 ARG 3 1HH1 ARG 3 -13.296 -4.341 -1.711 26 2HH1 ARG 3 2HH1 ARG 3 -13.081 -2.744 -1.084 27 1HH2 ARG 3 1HH2 ARG 3 -11.826 -6.002 -1.167 28 2HH2 ARG 3 2HH2 ARG 3 -10.487 -5.672 -0.121 29 H VAL 4 H VAL 4 -11.507 3.029 0.978 30 HA VAL 4 HA VAL 4 -8.823 4.067 0.812 31 HB VAL 4 HB VAL 4 -9.557 5.477 2.781 32 1HG1 VAL 4 1HG1 VAL 4 -9.844 6.848 1.050 33 2HG1 VAL 4 2HG1 VAL 4 -10.450 5.550 0.024 34 3HG1 VAL 4 3HG1 VAL 4 -11.551 6.407 1.101 35 1HG2 VAL 4 1HG2 VAL 4 -11.451 3.643 3.197 36 2HG2 VAL 4 2HG2 VAL 4 -11.628 5.325 3.696 37 3HG2 VAL 4 3HG2 VAL 4 -12.371 4.768 2.196 38 H LEU 5 H LEU 5 -7.178 3.742 2.182 39 HA LEU 5 HA LEU 5 -7.407 1.491 4.006 40 1HB LEU 5 1HB LEU 5 -5.158 1.200 3.731 41 2HB LEU 5 2HB LEU 5 -5.595 1.890 2.201 42 HG LEU 5 HG LEU 5 -4.342 3.424 4.474 43 1HD1 LEU 5 1HD1 LEU 5 -3.138 2.458 1.882 44 2HD1 LEU 5 2HD1 LEU 5 -2.323 3.392 3.140 45 3HD1 LEU 5 3HD1 LEU 5 -2.836 1.736 3.463 46 1HD2 LEU 5 1HD2 LEU 5 -3.934 4.940 2.374 47 2HD2 LEU 5 2HD2 LEU 5 -5.359 4.096 1.775 48 3HD2 LEU 5 3HD2 LEU 5 -5.450 5.019 3.271 49 H SER 6 H SER 6 -7.587 1.671 6.110 50 HA SER 6 HA SER 6 -7.859 4.156 7.396 51 1HB SER 6 1HB SER 6 -7.830 2.758 9.512 52 2HB SER 6 2HB SER 6 -9.031 2.294 8.305 53 HG SER 6 HG SER 6 -7.883 0.522 7.813 54 H ARG 7 H ARG 7 -6.642 4.405 9.640 55 HA ARG 7 HA ARG 7 -4.064 5.295 9.042 56 1HB ARG 7 1HB ARG 7 -5.539 6.065 10.936 57 2HB ARG 7 2HB ARG 7 -5.084 4.600 11.794 58 1HG ARG 7 1HG ARG 7 -3.211 5.535 12.506 59 2HG ARG 7 2HG ARG 7 -2.733 5.935 10.855 60 1HD ARG 7 1HD ARG 7 -4.488 7.862 11.150 61 2HD ARG 7 2HD ARG 7 -4.192 7.585 12.866 62 HE ARG 7 HE ARG 7 -1.703 7.806 11.764 63 1HH1 ARG 7 1HH1 ARG 7 -3.665 11.299 11.745 64 2HH1 ARG 7 2HH1 ARG 7 -4.554 9.817 11.843 65 1HH2 ARG 7 1HH2 ARG 7 -1.380 11.264 11.624 66 2HH2 ARG 7 2HH2 ARG 7 -0.530 9.755 11.632 67 H ALA 8 H ALA 8 -5.214 2.242 10.318 68 HA ALA 8 HA ALA 8 -2.645 1.270 11.099 69 1HB ALA 8 1HB ALA 8 -4.753 0.396 12.041 70 2HB ALA 8 2HB ALA 8 -5.147 -0.299 10.469 71 3HB ALA 8 3HB ALA 8 -3.740 -0.877 11.361 72 H ASP 9 H ASP 9 -4.491 1.292 8.133 73 HA ASP 9 HA ASP 9 -3.009 -0.722 6.783 74 1HB ASP 9 1HB ASP 9 -4.924 1.421 5.972 75 2HB ASP 9 2HB ASP 9 -3.945 0.653 4.739 76 H LYS 10 H LYS 10 -2.947 2.846 6.455 77 HA LYS 10 HA LYS 10 -0.795 3.055 4.748 78 1HB LYS 10 1HB LYS 10 -0.363 5.294 5.899 79 2HB LYS 10 2HB LYS 10 -1.957 5.047 5.206 80 1HG LYS 10 1HG LYS 10 -2.704 5.792 7.166 81 2HG LYS 10 2HG LYS 10 -2.324 4.174 7.749 82 1HD LYS 10 1HD LYS 10 -1.293 5.609 9.291 83 2HD LYS 10 2HD LYS 10 0.016 5.088 8.228 84 1HE LYS 10 1HE LYS 10 -0.251 7.171 6.932 85 2HE LYS 10 2HE LYS 10 -1.496 7.692 8.066 86 1HZ LYS 10 1HZ LYS 10 1.351 7.787 8.325 87 2HZ LYS 10 2HZ LYS 10 0.163 8.610 9.203 88 3HZ LYS 10 3HZ LYS 10 0.618 7.046 9.658 89 H GLU 11 H GLU 11 -0.774 2.716 8.262 90 HA GLU 11 HA GLU 11 2.041 2.942 8.566 91 1HB GLU 11 1HB GLU 11 -0.051 1.652 10.328 92 2HB GLU 11 2HB GLU 11 1.630 1.874 10.794 93 1HG GLU 11 1HG GLU 11 1.342 4.310 10.499 94 2HG GLU 11 2HG GLU 11 -0.366 4.038 10.178 95 H ARG 12 H ARG 12 -0.159 0.285 7.942 96 HA ARG 12 HA ARG 12 1.781 -1.785 8.290 97 1HB ARG 12 1HB ARG 12 -0.614 -2.246 8.496 98 2HB ARG 12 2HB ARG 12 -0.865 -1.782 6.818 99 1HG ARG 12 1HG ARG 12 1.003 -3.702 6.517 100 2HG ARG 12 2HG ARG 12 0.170 -4.285 7.960 101 1HD ARG 12 1HD ARG 12 -1.925 -3.592 6.378 102 2HD ARG 12 2HD ARG 12 -0.752 -4.114 5.173 103 HE ARG 12 HE ARG 12 -0.770 -6.275 6.129 104 1HH1 ARG 12 1HH1 ARG 12 -3.974 -5.386 8.367 105 2HH1 ARG 12 2HH1 ARG 12 -3.056 -4.109 7.646 106 1HH2 ARG 12 1HH2 ARG 12 -3.364 -7.563 8.050 107 2HH2 ARG 12 2HH2 ARG 12 -1.979 -7.951 7.084 108 H LEU 13 H LEU 13 0.544 0.086 5.586 109 HA LEU 13 HA LEU 13 1.780 -1.301 3.484 110 1HB LEU 13 1HB LEU 13 0.050 0.290 3.031 111 2HB LEU 13 2HB LEU 13 0.938 1.573 3.823 112 HG LEU 13 HG LEU 13 2.675 0.890 1.838 113 1HD1 LEU 13 1HD1 LEU 13 1.658 0.223 -0.083 114 2HD1 LEU 13 2HD1 LEU 13 0.611 -0.597 1.076 115 3HD1 LEU 13 3HD1 LEU 13 0.106 0.934 0.360 116 1HD2 LEU 13 1HD2 LEU 13 2.172 2.974 0.947 117 2HD2 LEU 13 2HD2 LEU 13 0.456 2.833 1.330 118 3HD2 LEU 13 3HD2 LEU 13 1.628 3.115 2.620 119 H LEU 14 H LEU 14 2.947 0.964 5.829 120 HA LEU 14 HA LEU 14 5.363 1.664 4.470 121 1HB LEU 14 1HB LEU 14 4.228 2.074 7.196 122 2HB LEU 14 2HB LEU 14 5.946 2.330 6.960 123 HG LEU 14 HG LEU 14 3.682 3.802 5.622 124 1HD1 LEU 14 1HD1 LEU 14 4.556 4.310 8.025 125 2HD1 LEU 14 2HD1 LEU 14 5.919 5.029 7.168 126 3HD1 LEU 14 3HD1 LEU 14 4.285 5.630 6.886 127 1HD2 LEU 14 1HD2 LEU 14 5.053 4.054 3.878 128 2HD2 LEU 14 2HD2 LEU 14 6.023 5.076 4.938 129 3HD2 LEU 14 3HD2 LEU 14 6.424 3.369 4.749 130 H GLU 15 H GLU 15 4.614 -0.429 7.248 131 HA GLU 15 HA GLU 15 7.149 -1.375 7.796 132 1HB GLU 15 1HB GLU 15 5.127 -1.819 9.163 133 2HB GLU 15 2HB GLU 15 4.580 -2.962 7.943 134 1HG GLU 15 1HG GLU 15 6.476 -4.386 8.361 135 2HG GLU 15 2HG GLU 15 7.149 -3.211 9.488 136 H LEU 16 H LEU 16 5.096 -2.118 5.106 137 HA LEU 16 HA LEU 16 6.627 -4.478 4.378 138 1HB LEU 16 1HB LEU 16 4.275 -3.078 3.130 139 2HB LEU 16 2HB LEU 16 5.089 -4.424 2.355 140 HG LEU 16 HG LEU 16 4.237 -4.917 5.134 141 1HD1 LEU 16 1HD1 LEU 16 2.119 -4.299 4.934 142 2HD1 LEU 16 2HD1 LEU 16 2.394 -3.755 3.279 143 3HD1 LEU 16 3HD1 LEU 16 1.939 -5.429 3.594 144 1HD2 LEU 16 1HD2 LEU 16 3.485 -6.622 2.828 145 2HD2 LEU 16 2HD2 LEU 16 5.202 -6.466 3.200 146 3HD2 LEU 16 3HD2 LEU 16 4.087 -7.070 4.425 147 H LEU 17 H LEU 17 6.367 -1.103 3.483 148 HA LEU 17 HA LEU 17 7.965 -1.395 1.106 149 1HB LEU 17 1HB LEU 17 6.571 0.816 2.472 150 2HB LEU 17 2HB LEU 17 7.973 1.255 1.518 151 HG LEU 17 HG LEU 17 6.981 0.347 -0.480 152 1HD1 LEU 17 1HD1 LEU 17 5.149 -0.911 1.441 153 2HD1 LEU 17 2HD1 LEU 17 4.402 -0.296 -0.032 154 3HD1 LEU 17 3HD1 LEU 17 5.712 -1.472 -0.132 155 1HD2 LEU 17 1HD2 LEU 17 5.392 1.985 -0.843 156 2HD2 LEU 17 2HD2 LEU 17 4.742 1.867 0.791 157 3HD2 LEU 17 3HD2 LEU 17 6.304 2.641 0.516 158 H LYS 18 H LYS 18 8.841 -1.586 4.244 159 HA LYS 18 HA LYS 18 10.787 -1.225 5.392 160 1HB LYS 18 1HB LYS 18 11.519 -1.850 2.645 161 2HB LYS 18 2HB LYS 18 12.724 -0.849 3.439 162 1HG LYS 18 1HG LYS 18 13.523 -2.612 4.516 163 2HG LYS 18 2HG LYS 18 11.940 -2.925 5.230 164 1HD LYS 18 1HD LYS 18 11.407 -3.976 2.905 165 2HD LYS 18 2HD LYS 18 13.162 -4.060 2.747 166 1HE LYS 18 1HE LYS 18 13.318 -5.371 4.771 167 2HE LYS 18 2HE LYS 18 11.584 -5.209 5.044 168 1HZ LYS 18 1HZ LYS 18 11.600 -6.261 2.603 169 2HZ LYS 18 2HZ LYS 18 13.017 -6.951 3.216 170 3HZ LYS 18 3HZ LYS 18 11.546 -7.194 4.015 171 H LEU 19 H LEU 19 9.174 1.042 4.216 172 HA LEU 19 HA LEU 19 11.170 3.183 4.271 173 1HB LEU 19 1HB LEU 19 9.838 3.053 2.242 174 2HB LEU 19 2HB LEU 19 8.357 3.075 3.179 175 HG LEU 19 HG LEU 19 10.100 5.403 3.610 176 1HD1 LEU 19 1HD1 LEU 19 8.746 6.056 1.256 177 2HD1 LEU 19 2HD1 LEU 19 10.487 5.888 1.475 178 3HD1 LEU 19 3HD1 LEU 19 9.532 4.512 0.932 179 1HD2 LEU 19 1HD2 LEU 19 7.862 5.199 4.560 180 2HD2 LEU 19 2HD2 LEU 19 7.949 6.556 3.441 181 3HD2 LEU 19 3HD2 LEU 19 7.180 5.053 2.941 182 HA PRO 20 HA PRO 20 9.739 3.746 8.517 183 1HB PRO 20 1HB PRO 20 11.117 6.342 8.002 184 2HB PRO 20 2HB PRO 20 11.252 5.250 9.385 185 1HG PRO 20 1HG PRO 20 13.152 5.330 7.521 186 2HG PRO 20 2HG PRO 20 12.668 3.796 8.267 187 1HD PRO 20 1HD PRO 20 12.066 4.861 5.556 188 2HD PRO 20 2HD PRO 20 12.292 3.184 6.088 189 H ARG 21 H ARG 21 8.584 5.419 9.718 190 HA ARG 21 HA ARG 21 6.491 6.607 8.091 191 1HB ARG 21 1HB ARG 21 6.626 6.651 11.093 192 2HB ARG 21 2HB ARG 21 5.206 6.740 10.061 193 1HG ARG 21 1HG ARG 21 4.928 4.558 10.268 194 2HG ARG 21 2HG ARG 21 6.492 4.288 9.497 195 1HD ARG 21 1HD ARG 21 6.382 5.002 12.394 196 2HD ARG 21 2HD ARG 21 6.008 3.355 11.896 197 HE ARG 21 HE ARG 21 8.586 4.722 11.532 198 1HH1 ARG 21 1HH1 ARG 21 8.086 0.746 11.472 199 2HH1 ARG 21 2HH1 ARG 21 6.699 1.775 11.570 200 1HH2 ARG 21 1HH2 ARG 21 10.181 1.641 11.370 201 2HH2 ARG 21 2HH2 ARG 21 10.399 3.359 11.395 202 H GLN 22 H GLN 22 9.430 7.594 9.203 203 HA GLN 22 HA GLN 22 8.739 10.231 10.121 204 1HB GLN 22 1HB GLN 22 10.755 8.959 10.885 205 2HB GLN 22 2HB GLN 22 11.434 9.158 9.276 206 1HG GLN 22 1HG GLN 22 11.274 11.629 9.599 207 2HG GLN 22 2HG GLN 22 10.806 11.318 11.271 208 1HE2 GLN 22 1HE2 GLN 22 14.487 11.933 10.973 209 2HE2 GLN 22 2HE2 GLN 22 13.086 12.778 10.416 210 H LEU 23 H LEU 23 9.611 8.726 7.125 211 HA LEU 23 HA LEU 23 9.681 11.350 5.817 212 1HB LEU 23 1HB LEU 23 10.977 10.412 4.070 213 2HB LEU 23 2HB LEU 23 11.694 9.895 5.578 214 HG LEU 23 HG LEU 23 11.810 8.052 4.096 215 1HD1 LEU 23 1HD1 LEU 23 11.016 7.543 6.425 216 2HD1 LEU 23 2HD1 LEU 23 9.384 7.453 5.760 217 3HD1 LEU 23 3HD1 LEU 23 10.621 6.323 5.207 218 1HD2 LEU 23 1HD2 LEU 23 10.169 7.318 2.677 219 2HD2 LEU 23 2HD2 LEU 23 8.874 8.030 3.632 220 3HD2 LEU 23 3HD2 LEU 23 9.917 9.061 2.654 221 H TRP 24 H TRP 24 7.387 9.459 6.619 222 HA TRP 24 HA TRP 24 6.100 8.468 4.349 223 1HB TRP 24 1HB TRP 24 5.320 7.798 6.487 224 2HB TRP 24 2HB TRP 24 5.097 9.460 7.013 225 HD1 TRP 24 HD1 TRP 24 2.808 10.632 6.431 226 HE1 TRP 24 HE1 TRP 24 0.559 9.740 5.546 227 HE3 TRP 24 HE3 TRP 24 4.333 6.032 4.818 228 HZ2 TRP 24 HZ2 TRP 24 -0.437 7.386 4.335 229 HZ3 TRP 24 HZ3 TRP 24 2.673 4.514 3.809 230 HH2 TRP 24 HH2 TRP 24 0.340 5.186 3.571 231 H GLY 25 H GLY 25 6.305 9.948 2.647 232 1HA GLY 25 1HA GLY 25 4.180 11.580 2.076 233 2HA GLY 25 2HA GLY 25 5.340 12.639 2.861 234 H ASP 26 H ASP 26 7.635 11.122 1.756 235 HA ASP 26 HA ASP 26 7.844 12.572 -0.710 236 1HB ASP 26 1HB ASP 26 9.732 12.171 0.937 237 2HB ASP 26 2HB ASP 26 9.791 10.518 0.334 238 H PHE 27 H PHE 27 6.283 11.684 -2.069 239 HA PHE 27 HA PHE 27 5.706 9.085 -2.637 240 1HB PHE 27 1HB PHE 27 4.701 11.237 -3.613 241 2HB PHE 27 2HB PHE 27 5.955 11.114 -4.842 242 HD1 PHE 27 HD1 PHE 27 3.920 8.452 -3.227 243 HD2 PHE 27 HD2 PHE 27 4.857 10.563 -6.800 244 HE1 PHE 27 HE1 PHE 27 2.509 6.901 -4.511 245 HE2 PHE 27 HE2 PHE 27 3.447 9.017 -8.089 246 HZ PHE 27 HZ PHE 27 2.271 7.185 -6.944 247 H GLY 28 H GLY 28 8.448 10.937 -3.869 248 1HA GLY 28 1HA GLY 28 9.318 9.098 -5.807 249 2HA GLY 28 2HA GLY 28 10.329 10.297 -5.018 250 H ARG 29 H ARG 29 9.940 9.253 -2.341 251 HA ARG 29 HA ARG 29 11.957 7.205 -2.441 252 1HB ARG 29 1HB ARG 29 10.730 8.906 -0.368 253 2HB ARG 29 2HB ARG 29 11.284 7.332 0.181 254 1HG ARG 29 1HG ARG 29 13.155 8.886 -1.497 255 2HG ARG 29 2HG ARG 29 12.843 9.496 0.129 256 1HD ARG 29 1HD ARG 29 13.672 7.565 1.143 257 2HD ARG 29 2HD ARG 29 13.522 6.614 -0.334 258 HE ARG 29 HE ARG 29 15.353 8.660 -0.820 259 1HH1 ARG 29 1HH1 ARG 29 16.777 5.521 1.223 260 2HH1 ARG 29 2HH1 ARG 29 15.070 5.813 1.179 261 1HH2 ARG 29 1HH2 ARG 29 18.211 6.918 0.121 262 2HH2 ARG 29 2HH2 ARG 29 17.600 8.276 -0.762 263 H MET 30 H MET 30 8.550 7.363 -1.457 264 HA MET 30 HA MET 30 8.439 4.659 -0.593 265 1HB MET 30 1HB MET 30 5.912 5.016 -0.870 266 2HB MET 30 2HB MET 30 6.764 5.985 0.322 267 1HG MET 30 1HG MET 30 6.754 7.888 -1.127 268 2HG MET 30 2HG MET 30 6.087 6.931 -2.449 269 1HE MET 30 1HE MET 30 5.782 7.922 1.093 270 2HE MET 30 2HE MET 30 4.133 8.521 1.290 271 3HE MET 30 3HE MET 30 4.474 6.799 1.467 272 H GLN 31 H GLN 31 7.723 6.254 -3.663 273 HA GLN 31 HA GLN 31 6.591 3.999 -4.933 274 1HB GLN 31 1HB GLN 31 6.453 6.366 -5.769 275 2HB GLN 31 2HB GLN 31 8.136 6.234 -6.260 276 1HG GLN 31 1HG GLN 31 7.469 4.285 -7.686 277 2HG GLN 31 2HG GLN 31 5.792 4.684 -7.321 278 1HE2 GLN 31 1HE2 GLN 31 7.987 7.299 -9.592 279 2HE2 GLN 31 2HE2 GLN 31 8.749 6.356 -8.360 280 H GLN 32 H GLN 32 9.890 5.155 -4.555 281 HA GLN 32 HA GLN 32 11.136 3.340 -6.319 282 1HB GLN 32 1HB GLN 32 11.981 5.460 -4.829 283 2HB GLN 32 2HB GLN 32 12.649 4.120 -3.908 284 1HG GLN 32 1HG GLN 32 13.981 3.408 -5.687 285 2HG GLN 32 2HG GLN 32 13.056 4.337 -6.867 286 1HE2 GLN 32 1HE2 GLN 32 14.734 7.364 -6.289 287 2HE2 GLN 32 2HE2 GLN 32 13.292 6.624 -6.885 288 H ALA 33 H ALA 33 10.298 3.187 -2.901 289 HA ALA 33 HA ALA 33 11.515 0.632 -2.460 290 1HB ALA 33 1HB ALA 33 9.828 2.498 -0.883 291 2HB ALA 33 2HB ALA 33 9.862 0.805 -0.388 292 3HB ALA 33 3HB ALA 33 11.361 1.732 -0.469 293 H TYR 34 H TYR 34 8.348 1.796 -3.405 294 HA TYR 34 HA TYR 34 6.928 -0.610 -2.976 295 1HB TYR 34 1HB TYR 34 5.756 1.515 -3.263 296 2HB TYR 34 2HB TYR 34 6.362 1.649 -4.911 297 HD1 TYR 34 HD1 TYR 34 3.690 0.478 -2.858 298 HD2 TYR 34 HD2 TYR 34 5.701 -0.229 -6.548 299 HE1 TYR 34 HE1 TYR 34 1.744 -0.782 -3.683 300 HE2 TYR 34 HE2 TYR 34 3.752 -1.471 -7.382 301 HH TYR 34 HH TYR 34 0.890 -1.278 -6.405 302 H LYS 35 H LYS 35 8.685 0.691 -5.749 303 HA LYS 35 HA LYS 35 7.962 -1.315 -7.595 304 1HB LYS 35 1HB LYS 35 9.915 0.867 -7.453 305 2HB LYS 35 2HB LYS 35 10.461 -0.502 -8.412 306 1HG LYS 35 1HG LYS 35 7.772 0.062 -9.130 307 2HG LYS 35 2HG LYS 35 8.680 1.575 -9.142 308 1HD LYS 35 1HD LYS 35 9.818 -0.872 -10.438 309 2HD LYS 35 2HD LYS 35 8.612 0.101 -11.284 310 1HE LYS 35 1HE LYS 35 10.518 1.124 -12.016 311 2HE LYS 35 2HE LYS 35 10.208 2.074 -10.564 312 1HZ LYS 35 1HZ LYS 35 11.860 -0.325 -10.306 313 2HZ LYS 35 2HZ LYS 35 12.552 1.028 -11.044 314 3HZ LYS 35 3HZ LYS 35 11.949 1.141 -9.467 315 H GLN 36 H GLN 36 10.588 -1.058 -5.260 316 HA GLN 36 HA GLN 36 11.923 -3.434 -6.130 317 1HB GLN 36 1HB GLN 36 13.006 -1.520 -4.896 318 2HB GLN 36 2HB GLN 36 12.169 -2.065 -3.448 319 1HG GLN 36 1HG GLN 36 13.342 -4.163 -3.497 320 2HG GLN 36 2HG GLN 36 14.092 -3.746 -5.038 321 1HE2 GLN 36 1HE2 GLN 36 16.793 -2.207 -3.562 322 2HE2 GLN 36 2HE2 GLN 36 16.072 -2.982 -4.927 323 H GLN 37 H GLN 37 9.825 -2.634 -3.375 324 HA GLN 37 HA GLN 37 9.816 -5.168 -2.185 325 1HB GLN 37 1HB GLN 37 8.229 -2.706 -2.001 326 2HB GLN 37 2HB GLN 37 7.333 -4.162 -1.591 327 1HG GLN 37 1HG GLN 37 8.379 -3.054 0.344 328 2HG GLN 37 2HG GLN 37 8.894 -4.724 0.122 329 1HE2 GLN 37 1HE2 GLN 37 12.169 -3.683 0.497 330 2HE2 GLN 37 2HE2 GLN 37 10.867 -4.698 1.007 331 H SER 38 H SER 38 8.121 -3.919 -4.948 332 HA SER 38 HA SER 38 6.089 -5.910 -5.041 333 1HB SER 38 1HB SER 38 7.196 -4.028 -7.133 334 2HB SER 38 2HB SER 38 5.862 -5.137 -7.448 335 HG SER 38 HG SER 38 4.652 -3.638 -6.629 336 H LEU 39 H LEU 39 9.378 -5.693 -6.172 337 HA LEU 39 HA LEU 39 9.276 -7.876 -7.990 338 1HB LEU 39 1HB LEU 39 11.394 -6.225 -6.735 339 2HB LEU 39 2HB LEU 39 11.877 -7.800 -7.333 340 HG LEU 39 HG LEU 39 10.454 -5.757 -9.031 341 1HD1 LEU 39 1HD1 LEU 39 12.967 -5.799 -9.996 342 2HD1 LEU 39 2HD1 LEU 39 12.378 -4.602 -8.843 343 3HD1 LEU 39 3HD1 LEU 39 13.289 -6.001 -8.275 344 1HD2 LEU 39 1HD2 LEU 39 11.460 -7.160 -10.857 345 2HD2 LEU 39 2HD2 LEU 39 11.890 -8.336 -9.615 346 3HD2 LEU 39 3HD2 LEU 39 10.196 -7.948 -9.915 347 H LEU 40 H LEU 40 9.824 -7.594 -4.549 348 HA LEU 40 HA LEU 40 10.631 -10.378 -4.335 349 1HB LEU 40 1HB LEU 40 10.764 -9.893 -1.893 350 2HB LEU 40 2HB LEU 40 11.805 -8.899 -2.892 351 HG LEU 40 HG LEU 40 9.895 -7.149 -2.746 352 1HD1 LEU 40 1HD1 LEU 40 8.161 -8.436 -1.785 353 2HD1 LEU 40 2HD1 LEU 40 9.208 -9.016 -0.492 354 3HD1 LEU 40 3HD1 LEU 40 8.708 -7.324 -0.533 355 1HD2 LEU 40 1HD2 LEU 40 12.110 -7.804 -1.005 356 2HD2 LEU 40 2HD2 LEU 40 11.575 -6.238 -1.611 357 3HD2 LEU 40 3HD2 LEU 40 10.848 -6.915 -0.153 358 H LEU 41 H LEU 41 7.757 -8.544 -4.240 359 HA LEU 41 HA LEU 41 6.318 -10.575 -2.708 360 1HB LEU 41 1HB LEU 41 5.744 -7.785 -3.571 361 2HB LEU 41 2HB LEU 41 4.384 -8.862 -3.315 362 HG LEU 41 HG LEU 41 6.428 -8.676 -1.159 363 1HD1 LEU 41 1HD1 LEU 41 6.239 -6.396 -1.373 364 2HD1 LEU 41 2HD1 LEU 41 4.588 -6.482 -1.988 365 3HD1 LEU 41 3HD1 LEU 41 4.906 -6.754 -0.275 366 1HD2 LEU 41 1HD2 LEU 41 4.516 -10.232 -1.052 367 2HD2 LEU 41 2HD2 LEU 41 4.511 -9.043 0.251 368 3HD2 LEU 41 3HD2 LEU 41 3.423 -8.848 -1.123 369 H HIS 42 H HIS 42 7.247 -10.186 -5.836 370 HA HIS 42 HA HIS 42 4.819 -10.833 -7.204 371 1HB HIS 42 1HB HIS 42 6.949 -9.667 -8.116 372 2HB HIS 42 2HB HIS 42 7.575 -11.298 -8.313 373 HD1 HIS 42 HD1 HIS 42 4.874 -12.578 -9.320 374 HD2 HIS 42 HD2 HIS 42 6.597 -9.095 -10.780 375 HE1 HIS 42 HE1 HIS 42 3.978 -12.318 -11.652 376 HE2 HIS 42 HE2 HIS 42 5.051 -10.214 -12.527 377 HA PRO 43 HA PRO 43 4.549 -15.161 -6.049 378 1HB PRO 43 1HB PRO 43 3.371 -15.202 -8.801 379 2HB PRO 43 2HB PRO 43 2.789 -15.971 -7.320 380 1HG PRO 43 1HG PRO 43 1.687 -13.712 -8.217 381 2HG PRO 43 2HG PRO 43 1.910 -14.000 -6.482 382 1HD PRO 43 1HD PRO 43 3.364 -12.164 -8.293 383 2HD PRO 43 2HD PRO 43 3.111 -12.059 -6.542 384 H ASP 44 H ASP 44 5.952 -13.957 -9.036 385 HA ASP 44 HA ASP 44 7.006 -16.397 -9.984 386 1HB ASP 44 1HB ASP 44 6.765 -13.970 -11.075 387 2HB ASP 44 2HB ASP 44 8.443 -13.857 -10.560 388 H LYS 45 H LYS 45 7.868 -14.536 -7.295 389 HA LYS 45 HA LYS 45 10.544 -15.765 -7.237 390 1HB LYS 45 1HB LYS 45 9.748 -13.321 -5.666 391 2HB LYS 45 2HB LYS 45 11.367 -13.918 -6.002 392 1HG LYS 45 1HG LYS 45 9.657 -13.130 -8.299 393 2HG LYS 45 2HG LYS 45 10.357 -11.864 -7.294 394 1HD LYS 45 1HD LYS 45 12.557 -12.553 -7.774 395 2HD LYS 45 2HD LYS 45 12.012 -14.095 -8.434 396 1HE LYS 45 1HE LYS 45 11.085 -13.028 -10.357 397 2HE LYS 45 2HE LYS 45 11.331 -11.429 -9.657 398 1HZ LYS 45 1HZ LYS 45 13.227 -11.429 -10.801 399 2HZ LYS 45 2HZ LYS 45 13.821 -12.511 -9.644 400 3HZ LYS 45 3HZ LYS 45 13.173 -13.096 -11.094 401 H GLY 46 H GLY 46 8.034 -16.973 -6.375 402 1HA GLY 46 1HA GLY 46 7.418 -18.379 -4.655 403 2HA GLY 46 2HA GLY 46 8.899 -17.928 -3.826 404 H GLY 47 H GLY 47 6.770 -15.398 -4.823 405 1HA GLY 47 1HA GLY 47 6.243 -14.785 -2.016 406 2HA GLY 47 2HA GLY 47 5.975 -13.713 -3.384 407 H SER 48 H SER 48 4.043 -13.823 -1.526 408 HA SER 48 HA SER 48 2.035 -15.759 -2.358 409 1HB SER 48 1HB SER 48 2.462 -14.020 -0.030 410 2HB SER 48 2HB SER 48 0.783 -14.095 -0.562 411 HG SER 48 HG SER 48 1.815 -15.793 0.967 412 H HIS 49 H HIS 49 -0.093 -15.118 -3.030 413 HA HIS 49 HA HIS 49 -0.016 -12.901 -4.884 414 1HB HIS 49 1HB HIS 49 -1.112 -15.276 -5.181 415 2HB HIS 49 2HB HIS 49 -2.482 -14.520 -4.372 416 HD1 HIS 49 HD1 HIS 49 -1.538 -11.723 -6.002 417 HD2 HIS 49 HD2 HIS 49 -2.874 -15.377 -7.466 418 HE1 HIS 49 HE1 HIS 49 -2.435 -11.240 -8.301 419 HE2 HIS 49 HE2 HIS 49 -3.313 -13.450 -9.133 420 H ALA 50 H ALA 50 -2.052 -13.867 -2.130 421 HA ALA 50 HA ALA 50 -3.712 -11.644 -2.048 422 1HB ALA 50 1HB ALA 50 -3.530 -13.909 -0.602 423 2HB ALA 50 2HB ALA 50 -2.914 -12.742 0.566 424 3HB ALA 50 3HB ALA 50 -4.517 -12.525 -0.135 425 H LEU 51 H LEU 51 -0.395 -11.959 -1.118 426 HA LEU 51 HA LEU 51 -0.333 -9.644 0.576 427 1HB LEU 51 1HB LEU 51 1.612 -11.615 -0.462 428 2HB LEU 51 2HB LEU 51 2.254 -10.029 -0.088 429 HG LEU 51 HG LEU 51 0.853 -10.519 2.176 430 1HD1 LEU 51 1HD1 LEU 51 0.733 -12.710 2.765 431 2HD1 LEU 51 2HD1 LEU 51 0.523 -12.886 1.022 432 3HD1 LEU 51 3HD1 LEU 51 2.101 -13.174 1.753 433 1HD2 LEU 51 1HD2 LEU 51 3.338 -11.701 2.647 434 2HD2 LEU 51 2HD2 LEU 51 3.609 -10.559 1.331 435 3HD2 LEU 51 3HD2 LEU 51 2.906 -10.001 2.849 436 H MET 52 H MET 52 0.826 -10.360 -2.712 437 HA MET 52 HA MET 52 1.821 -7.803 -3.276 438 1HB MET 52 1HB MET 52 2.358 -9.795 -4.610 439 2HB MET 52 2HB MET 52 0.703 -9.846 -5.195 440 1HG MET 52 1HG MET 52 1.827 -8.835 -6.933 441 2HG MET 52 2HG MET 52 1.166 -7.462 -6.048 442 1HE MET 52 1HE MET 52 2.771 -5.346 -6.055 443 2HE MET 52 2HE MET 52 2.421 -6.000 -4.455 444 3HE MET 52 3HE MET 52 4.059 -5.484 -4.858 445 H GLN 53 H GLN 53 -1.330 -9.240 -4.141 446 HA GLN 53 HA GLN 53 -2.365 -6.945 -5.379 447 1HB GLN 53 1HB GLN 53 -4.586 -7.987 -5.032 448 2HB GLN 53 2HB GLN 53 -3.408 -9.094 -5.725 449 1HG GLN 53 1HG GLN 53 -3.047 -9.747 -3.199 450 2HG GLN 53 2HG GLN 53 -4.683 -9.108 -3.045 451 1HE2 GLN 53 1HE2 GLN 53 -5.874 -12.256 -3.855 452 2HE2 GLN 53 2HE2 GLN 53 -5.790 -10.956 -2.721 453 H GLU 54 H GLU 54 -2.190 -7.896 -2.022 454 HA GLU 54 HA GLU 54 -4.079 -6.088 -0.970 455 1HB GLU 54 1HB GLU 54 -1.988 -7.834 0.059 456 2HB GLU 54 2HB GLU 54 -2.108 -6.342 0.980 457 1HG GLU 54 1HG GLU 54 -4.738 -7.288 0.552 458 2HG GLU 54 2HG GLU 54 -3.759 -8.651 1.090 459 H LEU 55 H LEU 55 -0.569 -5.831 -1.392 460 HA LEU 55 HA LEU 55 -0.335 -3.201 -0.400 461 1HB LEU 55 1HB LEU 55 1.560 -4.672 -0.475 462 2HB LEU 55 2HB LEU 55 1.416 -4.847 -2.213 463 HG LEU 55 HG LEU 55 1.763 -2.167 -2.031 464 1HD1 LEU 55 1HD1 LEU 55 3.916 -2.439 -0.330 465 2HD1 LEU 55 2HD1 LEU 55 2.402 -1.609 0.031 466 3HD1 LEU 55 3HD1 LEU 55 2.622 -3.293 0.506 467 1HD2 LEU 55 1HD2 LEU 55 4.253 -3.743 -1.951 468 2HD2 LEU 55 2HD2 LEU 55 3.056 -4.243 -3.145 469 3HD2 LEU 55 3HD2 LEU 55 3.674 -2.591 -3.155 470 H ASN 56 H ASN 56 -0.878 -4.523 -3.623 471 HA ASN 56 HA ASN 56 -0.478 -2.157 -5.085 472 1HB ASN 56 1HB ASN 56 -0.950 -4.710 -5.790 473 2HB ASN 56 2HB ASN 56 -2.563 -4.047 -6.032 474 1HD2 ASN 56 1HD2 ASN 56 -0.725 -3.756 -9.199 475 2HD2 ASN 56 2HD2 ASN 56 -1.226 -5.034 -8.150 476 H SER 57 H SER 57 -3.381 -3.528 -3.584 477 HA SER 57 HA SER 57 -5.095 -1.429 -4.495 478 1HB SER 57 1HB SER 57 -5.453 -3.540 -2.357 479 2HB SER 57 2HB SER 57 -6.714 -2.406 -2.839 480 HG SER 57 HG SER 57 -6.305 -3.266 -5.041 481 H LEU 58 H LEU 58 -3.106 -1.979 -1.683 482 HA LEU 58 HA LEU 58 -4.259 0.166 -0.146 483 1HB LEU 58 1HB LEU 58 -2.010 -1.755 0.206 484 2HB LEU 58 2HB LEU 58 -1.985 -0.279 1.152 485 HG LEU 58 HG LEU 58 -4.516 -1.820 1.197 486 1HD1 LEU 58 1HD1 LEU 58 -1.919 -2.858 2.243 487 2HD1 LEU 58 2HD1 LEU 58 -3.414 -3.177 3.119 488 3HD1 LEU 58 3HD1 LEU 58 -3.237 -3.721 1.451 489 1HD2 LEU 58 1HD2 LEU 58 -4.739 -0.911 3.306 490 2HD2 LEU 58 2HD2 LEU 58 -2.999 -0.775 3.552 491 3HD2 LEU 58 3HD2 LEU 58 -3.829 0.345 2.474 492 H TRP 59 H TRP 59 -1.795 -0.155 -2.537 493 HA TRP 59 HA TRP 59 -0.513 2.354 -1.846 494 1HB TRP 59 1HB TRP 59 0.950 0.605 -2.564 495 2HB TRP 59 2HB TRP 59 -0.028 0.282 -3.986 496 HD1 TRP 59 HD1 TRP 59 0.765 1.353 -6.159 497 HE1 TRP 59 HE1 TRP 59 2.482 3.158 -6.799 498 HE3 TRP 59 HE3 TRP 59 2.025 3.005 -1.470 499 HZ2 TRP 59 HZ2 TRP 59 4.144 5.024 -5.505 500 HZ3 TRP 59 HZ3 TRP 59 3.698 4.796 -1.274 501 HH2 TRP 59 HH2 TRP 59 4.731 5.784 -3.247 502 H GLY 60 H GLY 60 -3.087 1.202 -3.772 503 1HA GLY 60 1HA GLY 60 -2.993 3.328 -5.726 504 2HA GLY 60 2HA GLY 60 -4.274 2.142 -5.535 505 H THR 61 H THR 61 -5.326 2.443 -3.159 506 HA THR 61 HA THR 61 -6.819 4.817 -3.266 507 HB THR 61 HB THR 61 -7.032 2.512 -1.871 508 HG1 THR 61 HG1 THR 61 -8.185 4.975 -1.067 509 1HG2 THR 61 1HG2 THR 61 -6.243 4.505 0.201 510 2HG2 THR 61 2HG2 THR 61 -7.015 2.944 0.495 511 3HG2 THR 61 3HG2 THR 61 -5.396 3.008 -0.196 512 H PHE 62 H PHE 62 -4.134 3.798 -1.293 513 HA PHE 62 HA PHE 62 -3.619 5.965 0.318 514 1HB PHE 62 1HB PHE 62 -2.294 3.969 0.481 515 2HB PHE 62 2HB PHE 62 -1.761 4.121 -1.190 516 HD1 PHE 62 HD1 PHE 62 -1.822 6.986 1.109 517 HD2 PHE 62 HD2 PHE 62 0.561 3.923 -0.660 518 HE1 PHE 62 HE1 PHE 62 0.218 8.129 1.876 519 HE2 PHE 62 HE2 PHE 62 2.595 5.068 0.111 520 HZ PHE 62 HZ PHE 62 2.425 7.162 1.376 521 H LYS 63 H LYS 63 -2.267 5.367 -2.878 522 HA LYS 63 HA LYS 63 -0.897 7.685 -3.361 523 1HB LYS 63 1HB LYS 63 -1.759 5.438 -4.793 524 2HB LYS 63 2HB LYS 63 -2.351 6.799 -5.709 525 1HG LYS 63 1HG LYS 63 -0.100 7.699 -5.873 526 2HG LYS 63 2HG LYS 63 0.508 6.371 -4.881 527 1HD LYS 63 1HD LYS 63 -0.692 6.210 -7.641 528 2HD LYS 63 2HD LYS 63 0.960 5.830 -7.163 529 1HE LYS 63 1HE LYS 63 0.053 3.984 -5.750 530 2HE LYS 63 2HE LYS 63 -1.540 4.318 -6.423 531 1HZ LYS 63 1HZ LYS 63 0.838 3.226 -7.777 532 2HZ LYS 63 2HZ LYS 63 -0.746 2.637 -7.770 533 3HZ LYS 63 3HZ LYS 63 -0.361 4.016 -8.670 534 H THR 64 H THR 64 -4.366 7.087 -3.972 535 HA THR 64 HA THR 64 -5.013 9.482 -5.197 536 HB THR 64 HB THR 64 -6.670 7.950 -3.178 537 HG1 THR 64 HG1 THR 64 -7.629 7.262 -5.317 538 1HG2 THR 64 1HG2 THR 64 -8.023 9.737 -3.356 539 2HG2 THR 64 2HG2 THR 64 -7.287 10.283 -4.863 540 3HG2 THR 64 3HG2 THR 64 -8.469 8.976 -4.882 541 H GLU 65 H GLU 65 -4.419 8.743 -1.844 542 HA GLU 65 HA GLU 65 -5.077 11.419 -0.948 543 1HB GLU 65 1HB GLU 65 -3.637 9.352 0.694 544 2HB GLU 65 2HB GLU 65 -4.702 10.639 1.241 545 1HG GLU 65 1HG GLU 65 -5.974 8.665 -0.510 546 2HG GLU 65 2HG GLU 65 -5.391 8.028 1.026 547 H VAL 66 H VAL 66 -2.325 9.480 -1.829 548 HA VAL 66 HA VAL 66 -0.254 10.909 -0.722 549 HB VAL 66 HB VAL 66 -0.320 9.401 -3.315 550 1HG1 VAL 66 1HG1 VAL 66 2.297 9.675 -2.107 551 2HG1 VAL 66 2HG1 VAL 66 1.791 9.961 -3.770 552 3HG1 VAL 66 3HG1 VAL 66 1.630 11.239 -2.569 553 1HG2 VAL 66 1HG2 VAL 66 0.862 8.663 -0.641 554 2HG2 VAL 66 2HG2 VAL 66 -0.734 8.159 -1.191 555 3HG2 VAL 66 3HG2 VAL 66 0.703 7.627 -2.061 556 H TYR 67 H TYR 67 -1.956 11.481 -3.772 557 HA TYR 67 HA TYR 67 -0.290 13.567 -4.674 558 1HB TYR 67 1HB TYR 67 -2.295 12.191 -5.820 559 2HB TYR 67 2HB TYR 67 -3.161 13.668 -5.406 560 HD1 TYR 67 HD1 TYR 67 -0.354 12.280 -7.352 561 HD2 TYR 67 HD2 TYR 67 -2.752 15.710 -6.579 562 HE1 TYR 67 HE1 TYR 67 0.582 13.379 -9.344 563 HE2 TYR 67 HE2 TYR 67 -1.823 16.816 -8.571 564 HH TYR 67 HH TYR 67 -0.651 15.686 -10.923 565 H ASN 68 H ASN 68 -3.128 13.537 -2.594 566 HA ASN 68 HA ASN 68 -3.131 16.435 -2.442 567 1HB ASN 68 1HB ASN 68 -5.152 16.233 -1.161 568 2HB ASN 68 2HB ASN 68 -5.264 15.152 -2.544 569 1HD2 ASN 68 1HD2 ASN 68 -6.355 12.699 -0.365 570 2HD2 ASN 68 2HD2 ASN 68 -6.665 13.699 -1.739 571 H LEU 69 H LEU 69 -1.589 13.887 -0.824 572 HA LEU 69 HA LEU 69 -1.583 14.884 1.820 573 1HB LEU 69 1HB LEU 69 -0.102 13.206 2.313 574 2HB LEU 69 2HB LEU 69 -0.785 12.578 0.830 575 HG LEU 69 HG LEU 69 1.251 13.714 -0.321 576 1HD1 LEU 69 1HD1 LEU 69 1.903 13.955 2.551 577 2HD1 LEU 69 2HD1 LEU 69 3.197 13.407 1.486 578 3HD1 LEU 69 3HD1 LEU 69 2.402 14.951 1.185 579 1HD2 LEU 69 1HD2 LEU 69 0.889 11.153 0.978 580 2HD2 LEU 69 2HD2 LEU 69 1.607 11.534 -0.588 581 3HD2 LEU 69 3HD2 LEU 69 2.592 11.599 0.873 582 H ARG 70 H ARG 70 0.467 15.478 -0.976 583 HA ARG 70 HA ARG 70 2.334 17.096 0.441 584 1HB ARG 70 1HB ARG 70 1.844 16.795 -2.518 585 2HB ARG 70 2HB ARG 70 3.194 17.678 -1.817 586 1HG ARG 70 1HG ARG 70 3.261 15.153 -0.622 587 2HG ARG 70 2HG ARG 70 2.915 14.864 -2.328 588 1HD ARG 70 1HD ARG 70 5.175 14.955 -2.476 589 2HD ARG 70 2HD ARG 70 4.850 16.682 -2.594 590 HE ARG 70 HE ARG 70 5.515 15.394 -0.030 591 1HH1 ARG 70 1HH1 ARG 70 7.187 18.763 -1.415 592 2HH1 ARG 70 2HH1 ARG 70 6.061 17.903 -2.408 593 1HH2 ARG 70 1HH2 ARG 70 7.720 17.986 0.663 594 2HH2 ARG 70 2HH2 ARG 70 6.996 16.530 1.264 595 H MET 71 H MET 71 -0.740 17.670 -0.193 596 HA MET 71 HA MET 71 -0.344 20.557 -0.588 597 1HB MET 71 1HB MET 71 -2.798 18.914 -1.239 598 2HB MET 71 2HB MET 71 -2.603 20.639 -1.522 599 1HG MET 71 1HG MET 71 -1.088 20.310 -3.255 600 2HG MET 71 2HG MET 71 -0.729 18.660 -2.752 601 1HE MET 71 1HE MET 71 -2.644 20.464 -5.689 602 2HE MET 71 2HE MET 71 -4.288 20.228 -5.097 603 3HE MET 71 3HE MET 71 -3.122 21.125 -4.125 604 H ASN 72 H ASN 72 -2.654 18.264 0.867 605 HA ASN 72 HA ASN 72 -3.781 20.114 2.662 606 1HB ASN 72 1HB ASN 72 -3.626 17.096 2.831 607 2HB ASN 72 2HB ASN 72 -4.651 18.107 3.845 608 1HD2 ASN 72 1HD2 ASN 72 -6.726 16.837 1.105 609 2HD2 ASN 72 2HD2 ASN 72 -5.834 16.179 2.429 610 H LEU 73 H LEU 73 -3.288 20.694 4.723 611 HA LEU 73 HA LEU 73 -0.897 19.479 5.938 612 1HB LEU 73 1HB LEU 73 -0.610 21.811 4.865 613 2HB LEU 73 2HB LEU 73 -1.543 22.395 6.230 614 HG LEU 73 HG LEU 73 0.816 20.698 6.841 615 1HD1 LEU 73 1HD1 LEU 73 0.952 23.247 5.378 616 2HD1 LEU 73 2HD1 LEU 73 1.980 23.132 6.806 617 3HD1 LEU 73 3HD1 LEU 73 2.134 21.946 5.511 618 1HD2 LEU 73 1HD2 LEU 73 -0.914 21.922 8.411 619 2HD2 LEU 73 2HD2 LEU 73 0.793 21.803 8.839 620 3HD2 LEU 73 3HD2 LEU 73 0.163 23.293 8.137 621 H GLY 74 H GLY 74 -3.447 21.840 6.771 622 1HA GLY 74 1HA GLY 74 -4.246 20.138 9.009 623 2HA GLY 74 2HA GLY 74 -3.646 21.743 9.403 624 H GLY 75 H GLY 75 -5.488 22.661 10.177 625 1HA GLY 75 1HA GLY 75 -7.491 23.373 8.206 626 2HA GLY 75 2HA GLY 75 -8.080 22.373 9.525 627 H THR 76 H THR 76 -8.061 23.213 11.660 628 HA THR 76 HA THR 76 -8.630 26.015 11.765 629 HB THR 76 HB THR 76 -9.913 24.526 13.154 630 HG1 THR 76 HG1 THR 76 -9.825 26.309 14.301 631 1HG2 THR 76 1HG2 THR 76 -9.048 22.745 14.124 632 2HG2 THR 76 2HG2 THR 76 -7.421 23.273 13.692 633 3HG2 THR 76 3HG2 THR 76 -8.141 23.795 15.214 634 H GLY 77 H GLY 77 -7.465 27.664 12.661 635 1HA GLY 77 1HA GLY 77 -5.573 28.087 14.333 636 2HA GLY 77 2HA GLY 77 -4.650 27.033 13.272 637 H PHE 78 H PHE 78 -6.024 28.155 10.881 638 HA PHE 78 HA PHE 78 -4.152 30.221 10.331 639 1HB PHE 78 1HB PHE 78 -6.245 28.766 8.860 640 2HB PHE 78 2HB PHE 78 -5.983 30.417 8.310 641 HD1 PHE 78 HD1 PHE 78 -3.250 30.938 8.358 642 HD2 PHE 78 HD2 PHE 78 -5.166 27.222 7.567 643 HE1 PHE 78 HE1 PHE 78 -1.282 30.201 7.076 644 HE2 PHE 78 HE2 PHE 78 -3.201 26.478 6.284 645 HZ PHE 78 HZ PHE 78 -1.255 27.968 6.040 646 H GLN 79 H GLN 79 -4.885 32.352 9.363 647 HA GLN 79 HA GLN 79 -7.299 33.442 10.579 648 1HB GLN 79 1HB GLN 79 -4.527 34.134 11.378 649 2HB GLN 79 2HB GLN 79 -5.647 35.476 11.184 650 1HG GLN 79 1HG GLN 79 -6.846 33.335 12.696 651 2HG GLN 79 2HG GLN 79 -5.325 33.854 13.419 652 1HE2 GLN 79 1HE2 GLN 79 -6.574 37.283 13.749 653 2HE2 GLN 79 2HE2 GLN 79 -5.241 36.484 12.997 Start of MODEL 6 1 1H MET 1 1H MET 1 -12.654 -0.243 -8.095 2 2H MET 1 2H MET 1 -11.745 1.112 -7.563 3 3H MET 1 3H MET 1 -10.947 -0.244 -8.247 4 HA MET 1 HA MET 1 -12.587 -0.985 -6.070 5 1HB MET 1 1HB MET 1 -9.727 -1.265 -6.945 6 2HB MET 1 2HB MET 1 -10.229 -1.824 -5.357 7 1HG MET 1 1HG MET 1 -11.611 -3.472 -6.235 8 2HG MET 1 2HG MET 1 -11.672 -2.708 -7.823 9 1HE MET 1 1HE MET 1 -9.238 -5.985 -6.330 10 2HE MET 1 2HE MET 1 -10.853 -5.364 -5.992 11 3HE MET 1 3HE MET 1 -10.529 -6.200 -7.511 12 H ASP 2 H ASP 2 -13.151 1.238 -5.330 13 HA ASP 2 HA ASP 2 -11.087 2.804 -4.078 14 1HB ASP 2 1HB ASP 2 -14.087 3.082 -3.821 15 2HB ASP 2 2HB ASP 2 -12.879 4.298 -3.415 16 H ARG 3 H ARG 3 -10.229 2.352 -2.179 17 HA ARG 3 HA ARG 3 -11.919 1.448 0.013 18 1HB ARG 3 1HB ARG 3 -10.098 -0.282 0.585 19 2HB ARG 3 2HB ARG 3 -11.248 -0.683 -0.683 20 1HG ARG 3 1HG ARG 3 -9.671 -0.715 -2.282 21 2HG ARG 3 2HG ARG 3 -8.804 0.660 -1.600 22 1HD ARG 3 1HD ARG 3 -7.348 -1.169 -1.378 23 2HD ARG 3 2HD ARG 3 -8.028 -0.920 0.226 24 HE ARG 3 HE ARG 3 -8.736 -3.087 -1.631 25 1HH1 ARG 3 1HH1 ARG 3 -9.410 -3.156 2.318 26 2HH1 ARG 3 2HH1 ARG 3 -8.815 -1.708 1.583 27 1HH2 ARG 3 1HH2 ARG 3 -9.814 -5.010 1.047 28 2HH2 ARG 3 2HH2 ARG 3 -9.522 -4.980 -0.660 29 H VAL 4 H VAL 4 -11.564 3.072 1.405 30 HA VAL 4 HA VAL 4 -8.977 4.338 1.582 31 HB VAL 4 HB VAL 4 -10.031 5.730 3.359 32 1HG1 VAL 4 1HG1 VAL 4 -11.788 6.727 1.748 33 2HG1 VAL 4 2HG1 VAL 4 -10.096 6.698 1.250 34 3HG1 VAL 4 3HG1 VAL 4 -11.221 5.492 0.622 35 1HG2 VAL 4 1HG2 VAL 4 -11.737 3.729 3.772 36 2HG2 VAL 4 2HG2 VAL 4 -12.138 5.405 4.148 37 3HG2 VAL 4 3HG2 VAL 4 -12.707 4.676 2.646 38 H LEU 5 H LEU 5 -7.413 3.796 2.871 39 HA LEU 5 HA LEU 5 -7.816 1.772 4.916 40 1HB LEU 5 1HB LEU 5 -5.233 2.021 5.038 41 2HB LEU 5 2HB LEU 5 -5.972 1.190 3.694 42 HG LEU 5 HG LEU 5 -5.766 3.272 2.365 43 1HD1 LEU 5 1HD1 LEU 5 -3.781 4.663 3.594 44 2HD1 LEU 5 2HD1 LEU 5 -5.481 5.127 3.531 45 3HD1 LEU 5 3HD1 LEU 5 -4.855 4.257 4.931 46 1HD2 LEU 5 1HD2 LEU 5 -3.010 2.993 2.873 47 2HD2 LEU 5 2HD2 LEU 5 -3.759 1.418 3.135 48 3HD2 LEU 5 3HD2 LEU 5 -3.974 2.249 1.592 49 H SER 6 H SER 6 -7.367 2.002 7.069 50 HA SER 6 HA SER 6 -7.516 4.702 8.099 51 1HB SER 6 1HB SER 6 -7.771 3.616 10.294 52 2HB SER 6 2HB SER 6 -8.883 2.925 9.115 53 HG SER 6 HG SER 6 -6.419 1.675 9.316 54 H ARG 7 H ARG 7 -6.107 4.657 10.420 55 HA ARG 7 HA ARG 7 -3.508 5.276 9.591 56 1HB ARG 7 1HB ARG 7 -2.969 5.505 11.949 57 2HB ARG 7 2HB ARG 7 -4.546 6.207 11.615 58 1HG ARG 7 1HG ARG 7 -5.231 3.677 12.320 59 2HG ARG 7 2HG ARG 7 -3.806 3.947 13.324 60 1HD ARG 7 1HD ARG 7 -6.134 5.851 13.156 61 2HD ARG 7 2HD ARG 7 -5.979 4.597 14.385 62 HE ARG 7 HE ARG 7 -4.649 7.116 14.333 63 1HH1 ARG 7 1HH1 ARG 7 -3.154 4.158 16.583 64 2HH1 ARG 7 2HH1 ARG 7 -4.278 3.788 15.319 65 1HH2 ARG 7 1HH2 ARG 7 -2.525 6.324 16.967 66 2HH2 ARG 7 2HH2 ARG 7 -3.171 7.604 15.996 67 H ALA 8 H ALA 8 -4.852 2.320 10.956 68 HA ALA 8 HA ALA 8 -2.367 1.025 11.404 69 1HB ALA 8 1HB ALA 8 -5.191 0.345 11.577 70 2HB ALA 8 2HB ALA 8 -4.184 -1.007 11.057 71 3HB ALA 8 3HB ALA 8 -3.835 -0.178 12.575 72 H ASP 9 H ASP 9 -4.736 0.787 8.750 73 HA ASP 9 HA ASP 9 -3.318 -1.131 7.258 74 1HB ASP 9 1HB ASP 9 -5.254 0.959 6.262 75 2HB ASP 9 2HB ASP 9 -4.777 -0.496 5.403 76 H LYS 10 H LYS 10 -3.356 2.443 6.993 77 HA LYS 10 HA LYS 10 -1.575 2.599 4.822 78 1HB LYS 10 1HB LYS 10 -1.213 4.916 5.462 79 2HB LYS 10 2HB LYS 10 -2.919 4.514 5.584 80 1HG LYS 10 1HG LYS 10 -2.975 4.888 7.790 81 2HG LYS 10 2HG LYS 10 -1.396 4.153 8.059 82 1HD LYS 10 1HD LYS 10 -0.260 6.129 7.513 83 2HD LYS 10 2HD LYS 10 -1.674 6.826 6.723 84 1HE LYS 10 1HE LYS 10 -1.276 7.899 8.869 85 2HE LYS 10 2HE LYS 10 -2.796 7.007 8.889 86 1HZ LYS 10 1HZ LYS 10 -1.587 5.173 10.002 87 2HZ LYS 10 2HZ LYS 10 -0.223 6.164 10.107 88 3HZ LYS 10 3HZ LYS 10 -1.641 6.593 10.917 89 H GLU 11 H GLU 11 -1.079 2.188 8.255 90 HA GLU 11 HA GLU 11 1.732 2.638 8.269 91 1HB GLU 11 1HB GLU 11 -0.237 1.380 10.143 92 2HB GLU 11 2HB GLU 11 1.480 1.098 10.403 93 1HG GLU 11 1HG GLU 11 1.190 3.856 9.989 94 2HG GLU 11 2HG GLU 11 -0.109 3.377 11.080 95 H ARG 12 H ARG 12 -0.356 -0.122 7.754 96 HA ARG 12 HA ARG 12 1.614 -2.142 7.801 97 1HB ARG 12 1HB ARG 12 -0.746 -2.674 7.991 98 2HB ARG 12 2HB ARG 12 -1.062 -2.003 6.398 99 1HG ARG 12 1HG ARG 12 0.562 -3.792 5.541 100 2HG ARG 12 2HG ARG 12 0.336 -4.548 7.119 101 1HD ARG 12 1HD ARG 12 -2.191 -4.262 6.601 102 2HD ARG 12 2HD ARG 12 -1.653 -4.090 4.932 103 HE ARG 12 HE ARG 12 -0.433 -6.357 5.695 104 1HH1 ARG 12 1HH1 ARG 12 -4.402 -6.882 5.866 105 2HH1 ARG 12 2HH1 ARG 12 -3.744 -5.283 5.965 106 1HH2 ARG 12 1HH2 ARG 12 -3.015 -8.685 5.639 107 2HH2 ARG 12 2HH2 ARG 12 -1.299 -8.461 5.563 108 H LEU 13 H LEU 13 0.543 0.111 5.358 109 HA LEU 13 HA LEU 13 1.668 -1.142 3.098 110 1HB LEU 13 1HB LEU 13 0.060 0.629 2.839 111 2HB LEU 13 2HB LEU 13 1.068 1.742 3.735 112 HG LEU 13 HG LEU 13 2.749 1.170 1.716 113 1HD1 LEU 13 1HD1 LEU 13 1.806 0.379 -0.140 114 2HD1 LEU 13 2HD1 LEU 13 0.435 -0.085 0.870 115 3HD1 LEU 13 3HD1 LEU 13 0.420 1.458 0.013 116 1HD2 LEU 13 1HD2 LEU 13 2.362 3.322 1.021 117 2HD2 LEU 13 2HD2 LEU 13 0.611 3.175 1.196 118 3HD2 LEU 13 3HD2 LEU 13 1.628 3.351 2.627 119 H LEU 14 H LEU 14 2.899 1.171 5.452 120 HA LEU 14 HA LEU 14 5.380 1.673 4.235 121 1HB LEU 14 1HB LEU 14 4.348 1.899 7.033 122 2HB LEU 14 2HB LEU 14 6.049 2.174 6.702 123 HG LEU 14 HG LEU 14 3.704 3.731 5.633 124 1HD1 LEU 14 1HD1 LEU 14 4.156 5.219 7.216 125 2HD1 LEU 14 2HD1 LEU 14 5.197 4.002 7.953 126 3HD1 LEU 14 3HD1 LEU 14 5.879 5.193 6.848 127 1HD2 LEU 14 1HD2 LEU 14 6.029 5.025 4.866 128 2HD2 LEU 14 2HD2 LEU 14 6.340 3.329 4.495 129 3HD2 LEU 14 3HD2 LEU 14 4.925 4.136 3.815 130 H GLU 15 H GLU 15 4.368 -0.790 6.558 131 HA GLU 15 HA GLU 15 6.816 -1.858 7.258 132 1HB GLU 15 1HB GLU 15 4.266 -3.398 6.749 133 2HB GLU 15 2HB GLU 15 5.632 -3.953 7.705 134 1HG GLU 15 1HG GLU 15 4.164 -1.438 8.399 135 2HG GLU 15 2HG GLU 15 3.593 -3.019 8.930 136 H LEU 16 H LEU 16 4.747 -2.865 4.538 137 HA LEU 16 HA LEU 16 6.735 -4.629 3.471 138 1HB LEU 16 1HB LEU 16 4.091 -3.605 2.494 139 2HB LEU 16 2HB LEU 16 5.137 -4.533 1.438 140 HG LEU 16 HG LEU 16 4.930 -5.997 3.848 141 1HD1 LEU 16 1HD1 LEU 16 2.947 -5.444 4.694 142 2HD1 LEU 16 2HD1 LEU 16 2.527 -4.470 3.285 143 3HD1 LEU 16 3HD1 LEU 16 2.234 -6.208 3.274 144 1HD2 LEU 16 1HD2 LEU 16 4.957 -7.536 2.248 145 2HD2 LEU 16 2HD2 LEU 16 3.268 -7.163 1.907 146 3HD2 LEU 16 3HD2 LEU 16 4.547 -6.335 1.023 147 H LEU 17 H LEU 17 6.343 -1.287 3.400 148 HA LEU 17 HA LEU 17 7.568 -0.901 0.794 149 1HB LEU 17 1HB LEU 17 6.234 0.809 2.801 150 2HB LEU 17 2HB LEU 17 7.478 1.574 1.836 151 HG LEU 17 HG LEU 17 5.028 1.742 1.061 152 1HD1 LEU 17 1HD1 LEU 17 6.423 0.789 -1.282 153 2HD1 LEU 17 2HD1 LEU 17 5.914 2.422 -0.853 154 3HD1 LEU 17 3HD1 LEU 17 7.457 1.797 -0.267 155 1HD2 LEU 17 1HD2 LEU 17 5.206 -0.592 -0.599 156 2HD2 LEU 17 2HD2 LEU 17 5.249 -1.055 1.102 157 3HD2 LEU 17 3HD2 LEU 17 3.914 -0.088 0.489 158 H LYS 18 H LYS 18 8.657 -1.466 3.926 159 HA LYS 18 HA LYS 18 10.672 -1.192 4.964 160 1HB LYS 18 1HB LYS 18 11.227 -1.657 2.149 161 2HB LYS 18 2HB LYS 18 12.486 -0.705 2.919 162 1HG LYS 18 1HG LYS 18 13.350 -2.555 3.773 163 2HG LYS 18 2HG LYS 18 11.856 -2.829 4.671 164 1HD LYS 18 1HD LYS 18 11.034 -3.759 2.342 165 2HD LYS 18 2HD LYS 18 12.765 -3.990 2.085 166 1HE LYS 18 1HE LYS 18 12.812 -5.762 3.435 167 2HE LYS 18 2HE LYS 18 11.954 -4.897 4.709 168 1HZ LYS 18 1HZ LYS 18 9.927 -5.627 3.965 169 2HZ LYS 18 2HZ LYS 18 10.458 -5.886 2.380 170 3HZ LYS 18 3HZ LYS 18 10.891 -6.970 3.604 171 H LEU 19 H LEU 19 9.013 1.153 4.054 172 HA LEU 19 HA LEU 19 11.041 3.268 4.124 173 1HB LEU 19 1HB LEU 19 9.471 3.160 2.186 174 2HB LEU 19 2HB LEU 19 8.142 3.417 3.296 175 HG LEU 19 HG LEU 19 10.222 5.464 3.497 176 1HD1 LEU 19 1HD1 LEU 19 10.345 6.207 1.397 177 2HD1 LEU 19 2HD1 LEU 19 9.746 4.622 0.917 178 3HD1 LEU 19 3HD1 LEU 19 8.622 5.966 1.118 179 1HD2 LEU 19 1HD2 LEU 19 7.273 5.226 3.454 180 2HD2 LEU 19 2HD2 LEU 19 8.322 6.091 4.577 181 3HD2 LEU 19 3HD2 LEU 19 7.968 6.775 2.989 182 HA PRO 20 HA PRO 20 9.864 3.537 8.479 183 1HB PRO 20 1HB PRO 20 11.302 6.120 8.074 184 2HB PRO 20 2HB PRO 20 11.464 4.930 9.369 185 1HG PRO 20 1HG PRO 20 13.274 5.067 7.428 186 2HG PRO 20 2HG PRO 20 12.755 3.501 8.077 187 1HD PRO 20 1HD PRO 20 12.068 4.806 5.491 188 2HD PRO 20 2HD PRO 20 12.258 3.082 5.874 189 H ARG 21 H ARG 21 8.885 5.188 9.881 190 HA ARG 21 HA ARG 21 6.683 6.503 8.515 191 1HB ARG 21 1HB ARG 21 7.197 5.437 11.202 192 2HB ARG 21 2HB ARG 21 6.309 6.953 11.198 193 1HG ARG 21 1HG ARG 21 5.044 5.482 9.252 194 2HG ARG 21 2HG ARG 21 5.440 4.278 10.479 195 1HD ARG 21 1HD ARG 21 3.891 5.067 11.881 196 2HD ARG 21 2HD ARG 21 4.398 6.737 11.625 197 HE ARG 21 HE ARG 21 2.187 5.422 10.414 198 1HH1 ARG 21 1HH1 ARG 21 3.699 8.692 8.669 199 2HH1 ARG 21 2HH1 ARG 21 4.613 7.870 9.888 200 1HH2 ARG 21 1HH2 ARG 21 1.640 7.914 8.057 201 2HH2 ARG 21 2HH2 ARG 21 0.990 6.496 8.804 202 H GLN 22 H GLN 22 9.734 7.387 9.409 203 HA GLN 22 HA GLN 22 9.129 9.993 10.488 204 1HB GLN 22 1HB GLN 22 11.117 8.781 11.227 205 2HB GLN 22 2HB GLN 22 11.735 8.764 9.583 206 1HG GLN 22 1HG GLN 22 11.225 11.453 10.182 207 2HG GLN 22 2HG GLN 22 12.004 10.772 11.609 208 1HE2 GLN 22 1HE2 GLN 22 14.470 12.033 9.035 209 2HE2 GLN 22 2HE2 GLN 22 13.019 12.713 9.681 210 H LEU 23 H LEU 23 9.786 8.599 7.396 211 HA LEU 23 HA LEU 23 9.921 11.285 6.224 212 1HB LEU 23 1HB LEU 23 11.139 10.413 4.399 213 2HB LEU 23 2HB LEU 23 11.871 9.771 5.851 214 HG LEU 23 HG LEU 23 11.865 8.034 4.234 215 1HD1 LEU 23 1HD1 LEU 23 10.667 6.282 5.293 216 2HD1 LEU 23 2HD1 LEU 23 11.161 7.409 6.562 217 3HD1 LEU 23 3HD1 LEU 23 9.499 7.414 5.975 218 1HD2 LEU 23 1HD2 LEU 23 10.144 7.451 2.843 219 2HD2 LEU 23 2HD2 LEU 23 8.913 8.113 3.918 220 3HD2 LEU 23 3HD2 LEU 23 9.927 9.196 2.963 221 H TRP 24 H TRP 24 7.592 9.337 6.961 222 HA TRP 24 HA TRP 24 6.219 8.520 4.705 223 1HB TRP 24 1HB TRP 24 5.434 7.907 6.887 224 2HB TRP 24 2HB TRP 24 5.208 9.589 7.344 225 HD1 TRP 24 HD1 TRP 24 2.924 10.729 6.701 226 HE1 TRP 24 HE1 TRP 24 0.711 9.831 5.737 227 HE3 TRP 24 HE3 TRP 24 4.511 6.124 5.171 228 HZ2 TRP 24 HZ2 TRP 24 -0.239 7.467 4.497 229 HZ3 TRP 24 HZ3 TRP 24 2.890 4.600 4.102 230 HH2 TRP 24 HH2 TRP 24 0.569 5.268 3.776 231 H GLY 25 H GLY 25 6.125 9.813 2.938 232 1HA GLY 25 1HA GLY 25 4.225 11.604 2.412 233 2HA GLY 25 2HA GLY 25 5.408 12.621 3.217 234 H ASP 26 H ASP 26 7.628 10.965 2.071 235 HA ASP 26 HA ASP 26 7.960 12.491 -0.337 236 1HB ASP 26 1HB ASP 26 9.796 11.876 1.300 237 2HB ASP 26 2HB ASP 26 9.721 10.244 0.643 238 H PHE 27 H PHE 27 6.409 11.802 -1.809 239 HA PHE 27 HA PHE 27 5.639 9.250 -2.449 240 1HB PHE 27 1HB PHE 27 4.613 11.312 -3.363 241 2HB PHE 27 2HB PHE 27 5.999 11.494 -4.434 242 HD1 PHE 27 HD1 PHE 27 5.320 11.082 -6.599 243 HD2 PHE 27 HD2 PHE 27 3.951 8.533 -3.472 244 HE1 PHE 27 HE1 PHE 27 4.220 9.640 -8.260 245 HE2 PHE 27 HE2 PHE 27 2.849 7.087 -5.131 246 HZ PHE 27 HZ PHE 27 2.984 7.639 -7.528 247 H GLY 28 H GLY 28 8.539 10.933 -3.471 248 1HA GLY 28 1HA GLY 28 9.297 9.136 -5.518 249 2HA GLY 28 2HA GLY 28 10.363 10.253 -4.684 250 H ARG 29 H ARG 29 9.978 9.150 -2.048 251 HA ARG 29 HA ARG 29 11.838 6.961 -2.284 252 1HB ARG 29 1HB ARG 29 10.714 8.526 0.014 253 2HB ARG 29 2HB ARG 29 11.595 7.032 0.302 254 1HG ARG 29 1HG ARG 29 13.593 7.902 -0.467 255 2HG ARG 29 2HG ARG 29 12.798 9.183 -1.385 256 1HD ARG 29 1HD ARG 29 12.784 10.573 0.365 257 2HD ARG 29 2HD ARG 29 12.231 9.312 1.465 258 HE ARG 29 HE ARG 29 15.055 9.439 0.661 259 1HH1 ARG 29 1HH1 ARG 29 13.762 9.496 4.454 260 2HH1 ARG 29 2HH1 ARG 29 12.613 9.579 3.164 261 1HH2 ARG 29 1HH2 ARG 29 15.996 9.367 4.003 262 2HH2 ARG 29 2HH2 ARG 29 16.557 9.343 2.364 263 H MET 30 H MET 30 8.447 7.344 -1.396 264 HA MET 30 HA MET 30 8.155 4.697 -0.371 265 1HB MET 30 1HB MET 30 5.688 5.147 -0.646 266 2HB MET 30 2HB MET 30 6.559 6.289 0.367 267 1HG MET 30 1HG MET 30 6.578 7.916 -1.385 268 2HG MET 30 2HG MET 30 5.887 6.765 -2.523 269 1HE MET 30 1HE MET 30 3.808 8.954 0.894 270 2HE MET 30 2HE MET 30 4.569 7.428 1.341 271 3HE MET 30 3HE MET 30 5.540 8.725 0.645 272 H GLN 31 H GLN 31 7.411 6.194 -3.513 273 HA GLN 31 HA GLN 31 6.350 3.847 -4.680 274 1HB GLN 31 1HB GLN 31 6.184 6.277 -5.523 275 2HB GLN 31 2HB GLN 31 7.764 5.996 -6.241 276 1HG GLN 31 1HG GLN 31 6.900 4.217 -7.595 277 2HG GLN 31 2HG GLN 31 5.339 4.302 -6.782 278 1HE2 GLN 31 1HE2 GLN 31 6.372 7.151 -9.533 279 2HE2 GLN 31 2HE2 GLN 31 7.588 6.244 -8.703 280 H GLN 32 H GLN 32 9.592 5.179 -4.437 281 HA GLN 32 HA GLN 32 10.884 3.398 -6.191 282 1HB GLN 32 1HB GLN 32 11.714 5.216 -3.997 283 2HB GLN 32 2HB GLN 32 12.836 3.926 -4.406 284 1HG GLN 32 1HG GLN 32 12.225 4.882 -6.865 285 2HG GLN 32 2HG GLN 32 12.118 6.347 -5.888 286 1HE2 GLN 32 1HE2 GLN 32 15.682 4.679 -6.773 287 2HE2 GLN 32 2HE2 GLN 32 14.180 3.986 -7.275 288 H ALA 33 H ALA 33 9.748 3.095 -2.925 289 HA ALA 33 HA ALA 33 11.187 0.629 -2.429 290 1HB ALA 33 1HB ALA 33 9.288 0.883 -0.439 291 2HB ALA 33 2HB ALA 33 10.961 1.434 -0.359 292 3HB ALA 33 3HB ALA 33 9.687 2.551 -0.847 293 H TYR 34 H TYR 34 7.850 1.680 -3.011 294 HA TYR 34 HA TYR 34 6.517 -0.717 -2.697 295 1HB TYR 34 1HB TYR 34 5.335 1.380 -3.098 296 2HB TYR 34 2HB TYR 34 5.985 1.462 -4.733 297 HD1 TYR 34 HD1 TYR 34 3.256 0.371 -2.721 298 HD2 TYR 34 HD2 TYR 34 5.386 -0.498 -6.309 299 HE1 TYR 34 HE1 TYR 34 1.341 -0.935 -3.552 300 HE2 TYR 34 HE2 TYR 34 3.467 -1.785 -7.145 301 HH TYR 34 HH TYR 34 1.438 -3.091 -5.875 302 H LYS 35 H LYS 35 8.266 0.483 -5.525 303 HA LYS 35 HA LYS 35 7.646 -1.824 -7.119 304 1HB LYS 35 1HB LYS 35 8.957 0.736 -7.497 305 2HB LYS 35 2HB LYS 35 9.870 -0.565 -8.252 306 1HG LYS 35 1HG LYS 35 8.428 -0.700 -9.928 307 2HG LYS 35 2HG LYS 35 7.065 -0.846 -8.820 308 1HD LYS 35 1HD LYS 35 6.414 1.191 -9.435 309 2HD LYS 35 2HD LYS 35 7.878 1.841 -8.697 310 1HE LYS 35 1HE LYS 35 7.834 2.626 -10.933 311 2HE LYS 35 2HE LYS 35 9.057 1.357 -10.864 312 1HZ LYS 35 1HZ LYS 35 6.271 0.926 -11.790 313 2HZ LYS 35 2HZ LYS 35 7.574 1.227 -12.823 314 3HZ LYS 35 3HZ LYS 35 7.555 -0.173 -11.876 315 H GLN 36 H GLN 36 10.389 -0.717 -5.192 316 HA GLN 36 HA GLN 36 12.224 -2.704 -5.950 317 1HB GLN 36 1HB GLN 36 12.409 -0.523 -4.405 318 2HB GLN 36 2HB GLN 36 12.268 -1.735 -3.141 319 1HG GLN 36 1HG GLN 36 14.291 -1.895 -5.356 320 2HG GLN 36 2HG GLN 36 14.602 -1.104 -3.811 321 1HE2 GLN 36 1HE2 GLN 36 14.685 -5.129 -4.157 322 2HE2 GLN 36 2HE2 GLN 36 14.236 -4.098 -5.469 323 H GLN 37 H GLN 37 9.799 -2.601 -3.373 324 HA GLN 37 HA GLN 37 10.490 -5.235 -2.438 325 1HB GLN 37 1HB GLN 37 8.512 -3.147 -1.677 326 2HB GLN 37 2HB GLN 37 8.192 -4.803 -1.185 327 1HG GLN 37 1HG GLN 37 9.323 -3.900 0.627 328 2HG GLN 37 2HG GLN 37 10.570 -4.785 -0.243 329 1HE2 GLN 37 1HE2 GLN 37 12.516 -2.004 -0.959 330 2HE2 GLN 37 2HE2 GLN 37 12.240 -3.694 -1.180 331 H SER 38 H SER 38 8.396 -3.881 -4.796 332 HA SER 38 HA SER 38 6.415 -5.879 -4.912 333 1HB SER 38 1HB SER 38 7.421 -3.766 -6.751 334 2HB SER 38 2HB SER 38 6.487 -5.076 -7.471 335 HG SER 38 HG SER 38 4.874 -3.856 -6.849 336 H LEU 39 H LEU 39 9.705 -5.768 -5.993 337 HA LEU 39 HA LEU 39 9.553 -7.868 -7.897 338 1HB LEU 39 1HB LEU 39 11.785 -6.511 -6.433 339 2HB LEU 39 2HB LEU 39 12.102 -7.942 -7.395 340 HG LEU 39 HG LEU 39 10.933 -5.351 -8.410 341 1HD1 LEU 39 1HD1 LEU 39 12.989 -4.889 -9.370 342 2HD1 LEU 39 2HD1 LEU 39 13.433 -5.542 -7.794 343 3HD1 LEU 39 3HD1 LEU 39 13.544 -6.557 -9.233 344 1HD2 LEU 39 1HD2 LEU 39 9.982 -6.821 -9.866 345 2HD2 LEU 39 2HD2 LEU 39 11.561 -6.648 -10.632 346 3HD2 LEU 39 3HD2 LEU 39 11.223 -8.049 -9.615 347 H LEU 40 H LEU 40 10.562 -7.787 -4.469 348 HA LEU 40 HA LEU 40 11.146 -10.565 -4.379 349 1HB LEU 40 1HB LEU 40 11.429 -10.318 -2.044 350 2HB LEU 40 2HB LEU 40 12.038 -8.853 -2.786 351 HG LEU 40 HG LEU 40 9.548 -8.031 -2.232 352 1HD1 LEU 40 1HD1 LEU 40 10.126 -9.751 0.142 353 2HD1 LEU 40 2HD1 LEU 40 8.627 -8.942 -0.312 354 3HD1 LEU 40 3HD1 LEU 40 9.165 -10.364 -1.203 355 1HD2 LEU 40 1HD2 LEU 40 12.150 -7.847 -0.947 356 2HD2 LEU 40 2HD2 LEU 40 10.955 -6.591 -1.266 357 3HD2 LEU 40 3HD2 LEU 40 10.815 -7.594 0.177 358 H LEU 41 H LEU 41 8.215 -8.793 -4.281 359 HA LEU 41 HA LEU 41 6.761 -11.018 -3.072 360 1HB LEU 41 1HB LEU 41 5.951 -8.219 -3.822 361 2HB LEU 41 2HB LEU 41 4.789 -9.433 -3.324 362 HG LEU 41 HG LEU 41 7.081 -8.394 -1.653 363 1HD1 LEU 41 1HD1 LEU 41 4.409 -8.044 -0.605 364 2HD1 LEU 41 2HD1 LEU 41 5.700 -6.864 -0.824 365 3HD1 LEU 41 3HD1 LEU 41 4.612 -7.235 -2.160 366 1HD2 LEU 41 1HD2 LEU 41 6.778 -10.618 -0.986 367 2HD2 LEU 41 2HD2 LEU 41 5.812 -9.681 0.153 368 3HD2 LEU 41 3HD2 LEU 41 5.027 -10.531 -1.176 369 H HIS 42 H HIS 42 7.936 -10.542 -6.005 370 HA HIS 42 HA HIS 42 5.552 -11.116 -7.559 371 1HB HIS 42 1HB HIS 42 7.465 -9.580 -8.314 372 2HB HIS 42 2HB HIS 42 8.390 -11.051 -8.582 373 HD1 HIS 42 HD1 HIS 42 7.011 -12.823 -10.268 374 HD2 HIS 42 HD2 HIS 42 6.137 -8.773 -10.516 375 HE1 HIS 42 HE1 HIS 42 5.957 -12.509 -12.520 376 HE2 HIS 42 HE2 HIS 42 5.563 -10.028 -12.705 377 HA PRO 43 HA PRO 43 5.725 -15.534 -7.249 378 1HB PRO 43 1HB PRO 43 5.153 -15.390 -10.175 379 2HB PRO 43 2HB PRO 43 4.346 -16.329 -8.914 380 1HG PRO 43 1HG PRO 43 3.246 -14.101 -9.894 381 2HG PRO 43 2HG PRO 43 3.102 -14.526 -8.179 382 1HD PRO 43 1HD PRO 43 4.767 -12.432 -9.473 383 2HD PRO 43 2HD PRO 43 4.055 -12.473 -7.850 384 H ASP 44 H ASP 44 7.775 -13.722 -9.343 385 HA ASP 44 HA ASP 44 9.245 -16.040 -10.274 386 1HB ASP 44 1HB ASP 44 8.802 -13.528 -11.328 387 2HB ASP 44 2HB ASP 44 10.461 -13.421 -10.751 388 H LYS 45 H LYS 45 9.387 -13.710 -7.735 389 HA LYS 45 HA LYS 45 12.074 -14.667 -7.003 390 1HB LYS 45 1HB LYS 45 10.726 -12.037 -6.379 391 2HB LYS 45 2HB LYS 45 12.257 -12.549 -5.683 392 1HG LYS 45 1HG LYS 45 12.992 -11.251 -7.409 393 2HG LYS 45 2HG LYS 45 12.949 -12.829 -8.196 394 1HD LYS 45 1HD LYS 45 10.590 -12.218 -8.939 395 2HD LYS 45 2HD LYS 45 10.973 -10.573 -8.428 396 1HE LYS 45 1HE LYS 45 13.110 -10.985 -9.924 397 2HE LYS 45 2HE LYS 45 12.051 -12.161 -10.701 398 1HZ LYS 45 1HZ LYS 45 11.240 -10.469 -11.859 399 2HZ LYS 45 2HZ LYS 45 10.533 -9.886 -10.437 400 3HZ LYS 45 3HZ LYS 45 12.055 -9.324 -10.916 401 H GLY 46 H GLY 46 9.485 -15.931 -6.411 402 1HA GLY 46 1HA GLY 46 8.576 -17.072 -4.634 403 2HA GLY 46 2HA GLY 46 9.940 -16.522 -3.671 404 H GLY 47 H GLY 47 7.015 -15.134 -5.182 405 1HA GLY 47 1HA GLY 47 6.551 -13.706 -2.637 406 2HA GLY 47 2HA GLY 47 6.273 -12.959 -4.200 407 H SER 48 H SER 48 4.391 -13.288 -2.047 408 HA SER 48 HA SER 48 2.549 -15.344 -2.968 409 1HB SER 48 1HB SER 48 2.909 -13.770 -0.523 410 2HB SER 48 2HB SER 48 1.221 -13.922 -1.011 411 HG SER 48 HG SER 48 1.411 -15.778 -0.022 412 H HIS 49 H HIS 49 0.323 -14.844 -3.478 413 HA HIS 49 HA HIS 49 0.117 -12.569 -5.231 414 1HB HIS 49 1HB HIS 49 -0.995 -15.067 -5.242 415 2HB HIS 49 2HB HIS 49 -2.337 -14.094 -4.652 416 HD1 HIS 49 HD1 HIS 49 -2.761 -11.850 -6.274 417 HD2 HIS 49 HD2 HIS 49 -0.892 -15.171 -7.932 418 HE1 HIS 49 HE1 HIS 49 -3.026 -11.600 -8.763 419 HE2 HIS 49 HE2 HIS 49 -1.828 -13.586 -9.748 420 H ALA 50 H ALA 50 -1.619 -13.689 -2.333 421 HA ALA 50 HA ALA 50 -3.384 -11.597 -2.009 422 1HB ALA 50 1HB ALA 50 -2.178 -12.599 0.482 423 2HB ALA 50 2HB ALA 50 -3.868 -12.532 -0.019 424 3HB ALA 50 3HB ALA 50 -2.825 -13.828 -0.604 425 H LEU 51 H LEU 51 0.047 -11.625 -1.486 426 HA LEU 51 HA LEU 51 0.090 -9.266 0.158 427 1HB LEU 51 1HB LEU 51 2.096 -11.085 -1.046 428 2HB LEU 51 2HB LEU 51 2.623 -9.446 -0.715 429 HG LEU 51 HG LEU 51 1.552 -9.963 1.659 430 1HD1 LEU 51 1HD1 LEU 51 1.037 -12.341 0.565 431 2HD1 LEU 51 2HD1 LEU 51 2.661 -12.659 1.177 432 3HD1 LEU 51 3HD1 LEU 51 1.390 -12.133 2.281 433 1HD2 LEU 51 1HD2 LEU 51 3.750 -10.456 2.460 434 2HD2 LEU 51 2HD2 LEU 51 4.250 -11.045 0.876 435 3HD2 LEU 51 3HD2 LEU 51 3.901 -9.334 1.109 436 H MET 52 H MET 52 1.035 -9.996 -3.199 437 HA MET 52 HA MET 52 1.714 -7.379 -3.930 438 1HB MET 52 1HB MET 52 1.744 -9.837 -5.169 439 2HB MET 52 2HB MET 52 0.518 -8.968 -6.082 440 1HG MET 52 1HG MET 52 3.335 -8.027 -5.592 441 2HG MET 52 2HG MET 52 2.732 -8.751 -7.082 442 1HE MET 52 1HE MET 52 1.789 -4.890 -5.078 443 2HE MET 52 2HE MET 52 3.037 -6.088 -4.732 444 3HE MET 52 3HE MET 52 3.344 -4.809 -5.905 445 H GLN 53 H GLN 53 -1.377 -8.978 -3.699 446 HA GLN 53 HA GLN 53 -2.813 -6.978 -5.178 447 1HB GLN 53 1HB GLN 53 -3.844 -9.100 -3.285 448 2HB GLN 53 2HB GLN 53 -4.829 -8.132 -4.372 449 1HG GLN 53 1HG GLN 53 -2.690 -10.070 -5.223 450 2HG GLN 53 2HG GLN 53 -4.423 -10.389 -5.228 451 1HE2 GLN 53 1HE2 GLN 53 -4.745 -9.224 -8.449 452 2HE2 GLN 53 2HE2 GLN 53 -5.185 -10.344 -7.207 453 H GLU 54 H GLU 54 -2.384 -7.761 -1.744 454 HA GLU 54 HA GLU 54 -4.054 -5.760 -0.709 455 1HB GLU 54 1HB GLU 54 -2.641 -7.779 0.395 456 2HB GLU 54 2HB GLU 54 -1.612 -6.422 0.832 457 1HG GLU 54 1HG GLU 54 -2.943 -6.291 2.620 458 2HG GLU 54 2HG GLU 54 -4.040 -5.456 1.523 459 H LEU 55 H LEU 55 -0.622 -5.725 -1.566 460 HA LEU 55 HA LEU 55 -0.012 -3.172 -0.586 461 1HB LEU 55 1HB LEU 55 1.472 -5.108 -1.606 462 2HB LEU 55 2HB LEU 55 1.268 -4.187 -3.082 463 HG LEU 55 HG LEU 55 2.406 -2.307 -2.193 464 1HD1 LEU 55 1HD1 LEU 55 1.909 -1.823 -0.059 465 2HD1 LEU 55 2HD1 LEU 55 1.706 -3.516 0.386 466 3HD1 LEU 55 3HD1 LEU 55 3.321 -2.811 0.311 467 1HD2 LEU 55 1HD2 LEU 55 4.459 -3.683 -1.073 468 2HD2 LEU 55 2HD2 LEU 55 3.609 -4.967 -1.933 469 3HD2 LEU 55 3HD2 LEU 55 4.174 -3.543 -2.808 470 H ASN 56 H ASN 56 -0.967 -4.209 -3.857 471 HA ASN 56 HA ASN 56 -1.014 -1.690 -5.060 472 1HB ASN 56 1HB ASN 56 -2.053 -4.361 -5.654 473 2HB ASN 56 2HB ASN 56 -3.077 -3.077 -6.290 474 1HD2 ASN 56 1HD2 ASN 56 0.458 -3.966 -7.992 475 2HD2 ASN 56 2HD2 ASN 56 -0.140 -4.788 -6.595 476 H SER 57 H SER 57 -3.292 -3.297 -2.972 477 HA SER 57 HA SER 57 -5.477 -1.518 -3.448 478 1HB SER 57 1HB SER 57 -4.890 -3.785 -1.627 479 2HB SER 57 2HB SER 57 -6.092 -2.625 -1.062 480 HG SER 57 HG SER 57 -6.182 -4.391 -3.214 481 H LEU 58 H LEU 58 -3.139 -1.895 -0.786 482 HA LEU 58 HA LEU 58 -4.099 0.390 0.630 483 1HB LEU 58 1HB LEU 58 -1.506 -1.128 0.908 484 2HB LEU 58 2HB LEU 58 -2.095 0.078 2.035 485 HG LEU 58 HG LEU 58 -3.900 -2.207 1.480 486 1HD1 LEU 58 1HD1 LEU 58 -2.004 -3.535 1.678 487 2HD1 LEU 58 2HD1 LEU 58 -1.251 -2.457 2.854 488 3HD1 LEU 58 3HD1 LEU 58 -2.622 -3.460 3.327 489 1HD2 LEU 58 1HD2 LEU 58 -4.740 -0.696 3.039 490 2HD2 LEU 58 2HD2 LEU 58 -4.047 -1.967 4.045 491 3HD2 LEU 58 3HD2 LEU 58 -3.170 -0.457 3.802 492 H TRP 59 H TRP 59 -1.759 -0.102 -1.884 493 HA TRP 59 HA TRP 59 -0.533 2.498 -1.473 494 1HB TRP 59 1HB TRP 59 0.980 0.755 -2.077 495 2HB TRP 59 2HB TRP 59 -0.050 0.232 -3.402 496 HD1 TRP 59 HD1 TRP 59 0.526 1.123 -5.723 497 HE1 TRP 59 HE1 TRP 59 2.135 2.897 -6.661 498 HE3 TRP 59 HE3 TRP 59 2.092 3.252 -1.319 499 HZ2 TRP 59 HZ2 TRP 59 3.829 4.912 -5.688 500 HZ3 TRP 59 HZ3 TRP 59 3.718 5.084 -1.434 501 HH2 TRP 59 HH2 TRP 59 4.564 5.901 -3.570 502 H GLY 60 H GLY 60 -3.123 1.087 -3.199 503 1HA GLY 60 1HA GLY 60 -3.166 2.957 -5.386 504 2HA GLY 60 2HA GLY 60 -4.430 1.815 -4.965 505 H THR 61 H THR 61 -5.459 2.425 -2.680 506 HA THR 61 HA THR 61 -6.906 4.794 -3.027 507 HB THR 61 HB THR 61 -7.087 2.687 -1.309 508 HG1 THR 61 HG1 THR 61 -8.258 5.249 -1.252 509 1HG2 THR 61 1HG2 THR 61 -5.464 3.344 0.278 510 2HG2 THR 61 2HG2 THR 61 -6.154 4.966 0.386 511 3HG2 THR 61 3HG2 THR 61 -7.067 3.579 0.976 512 H PHE 62 H PHE 62 -4.203 3.988 -0.979 513 HA PHE 62 HA PHE 62 -3.585 6.302 0.333 514 1HB PHE 62 1HB PHE 62 -2.292 4.279 0.628 515 2HB PHE 62 2HB PHE 62 -1.772 4.317 -1.055 516 HD1 PHE 62 HD1 PHE 62 -1.844 7.203 1.248 517 HD2 PHE 62 HD2 PHE 62 0.556 4.297 -0.747 518 HE1 PHE 62 HE1 PHE 62 0.184 8.430 1.906 519 HE2 PHE 62 HE2 PHE 62 2.582 5.528 -0.085 520 HZ PHE 62 HZ PHE 62 2.394 7.587 1.234 521 H LYS 63 H LYS 63 -2.460 5.346 -2.862 522 HA LYS 63 HA LYS 63 -1.066 7.591 -3.630 523 1HB LYS 63 1HB LYS 63 -1.942 5.209 -4.779 524 2HB LYS 63 2HB LYS 63 -2.625 6.448 -5.803 525 1HG LYS 63 1HG LYS 63 -0.420 7.374 -6.200 526 2HG LYS 63 2HG LYS 63 0.288 6.206 -5.083 527 1HD LYS 63 1HD LYS 63 -0.970 5.696 -7.770 528 2HD LYS 63 2HD LYS 63 0.680 5.347 -7.251 529 1HE LYS 63 1HE LYS 63 -0.268 3.694 -5.622 530 2HE LYS 63 2HE LYS 63 -1.848 3.972 -6.344 531 1HZ LYS 63 1HZ LYS 63 0.537 2.760 -7.610 532 2HZ LYS 63 2HZ LYS 63 -0.993 2.076 -7.393 533 3HZ LYS 63 3HZ LYS 63 -0.777 3.321 -8.517 534 H THR 64 H THR 64 -4.568 6.975 -3.909 535 HA THR 64 HA THR 64 -5.309 9.198 -5.386 536 HB THR 64 HB THR 64 -6.792 8.052 -3.005 537 HG1 THR 64 HG1 THR 64 -6.675 7.294 -5.719 538 1HG2 THR 64 1HG2 THR 64 -8.202 9.732 -3.404 539 2HG2 THR 64 2HG2 THR 64 -7.507 10.075 -4.988 540 3HG2 THR 64 3HG2 THR 64 -8.684 8.774 -4.804 541 H GLU 65 H GLU 65 -4.422 8.879 -2.032 542 HA GLU 65 HA GLU 65 -4.940 11.664 -1.434 543 1HB GLU 65 1HB GLU 65 -3.444 9.732 0.323 544 2HB GLU 65 2HB GLU 65 -4.360 11.155 0.801 545 1HG GLU 65 1HG GLU 65 -5.854 8.989 -0.548 546 2HG GLU 65 2HG GLU 65 -5.272 8.672 1.085 547 H VAL 66 H VAL 66 -2.310 9.575 -2.339 548 HA VAL 66 HA VAL 66 -0.154 11.118 -1.547 549 HB VAL 66 HB VAL 66 -0.364 9.256 -3.888 550 1HG1 VAL 66 1HG1 VAL 66 2.305 9.537 -2.947 551 2HG1 VAL 66 2HG1 VAL 66 1.664 9.876 -4.553 552 3HG1 VAL 66 3HG1 VAL 66 1.679 11.140 -3.323 553 1HG2 VAL 66 1HG2 VAL 66 -0.703 8.275 -1.646 554 2HG2 VAL 66 2HG2 VAL 66 0.760 7.680 -2.430 555 3HG2 VAL 66 3HG2 VAL 66 0.873 8.900 -1.160 556 H TYR 67 H TYR 67 -2.027 11.225 -4.547 557 HA TYR 67 HA TYR 67 -0.455 13.130 -5.876 558 1HB TYR 67 1HB TYR 67 -2.347 11.709 -6.842 559 2HB TYR 67 2HB TYR 67 -3.448 12.912 -6.176 560 HD1 TYR 67 HD1 TYR 67 -0.143 13.368 -7.838 561 HD2 TYR 67 HD2 TYR 67 -4.342 14.026 -8.019 562 HE1 TYR 67 HE1 TYR 67 0.168 14.759 -9.841 563 HE2 TYR 67 HE2 TYR 67 -4.043 15.417 -10.024 564 HH TYR 67 HH TYR 67 -1.543 16.851 -10.916 565 H ASN 68 H ASN 68 -3.095 13.478 -3.568 566 HA ASN 68 HA ASN 68 -2.996 16.371 -3.801 567 1HB ASN 68 1HB ASN 68 -4.930 16.418 -2.366 568 2HB ASN 68 2HB ASN 68 -5.177 15.207 -3.616 569 1HD2 ASN 68 1HD2 ASN 68 -6.229 13.043 -1.139 570 2HD2 ASN 68 2HD2 ASN 68 -6.576 13.905 -2.595 571 H LEU 69 H LEU 69 -1.442 13.991 -1.926 572 HA LEU 69 HA LEU 69 -1.252 15.379 0.532 573 1HB LEU 69 1HB LEU 69 0.179 13.741 1.230 574 2HB LEU 69 2HB LEU 69 -0.600 12.908 -0.096 575 HG LEU 69 HG LEU 69 1.407 13.640 -1.519 576 1HD1 LEU 69 1HD1 LEU 69 2.062 14.985 0.867 577 2HD1 LEU 69 2HD1 LEU 69 3.222 13.670 0.700 578 3HD1 LEU 69 3HD1 LEU 69 3.032 14.846 -0.598 579 1HD2 LEU 69 1HD2 LEU 69 2.321 11.603 -1.158 580 2HD2 LEU 69 2HD2 LEU 69 2.408 11.834 0.589 581 3HD2 LEU 69 3HD2 LEU 69 0.882 11.378 -0.163 582 H ARG 70 H ARG 70 0.405 15.690 -2.501 583 HA ARG 70 HA ARG 70 2.598 17.198 -1.503 584 1HB ARG 70 1HB ARG 70 1.547 16.519 -4.200 585 2HB ARG 70 2HB ARG 70 2.649 17.884 -4.069 586 1HG ARG 70 1HG ARG 70 4.396 16.529 -3.258 587 2HG ARG 70 2HG ARG 70 3.305 15.179 -2.946 588 1HD ARG 70 1HD ARG 70 3.069 14.697 -5.230 589 2HD ARG 70 2HD ARG 70 3.716 16.262 -5.714 590 HE ARG 70 HE ARG 70 5.225 13.911 -4.914 591 1HH1 ARG 70 1HH1 ARG 70 6.984 17.364 -5.929 592 2HH1 ARG 70 2HH1 ARG 70 5.280 17.329 -5.632 593 1HH2 ARG 70 1HH2 ARG 70 8.226 15.455 -5.741 594 2HH2 ARG 70 2HH2 ARG 70 7.467 13.961 -5.304 595 H MET 71 H MET 71 -0.502 17.962 -1.520 596 HA MET 71 HA MET 71 -0.057 20.811 -2.074 597 1HB MET 71 1HB MET 71 -2.419 19.029 -2.373 598 2HB MET 71 2HB MET 71 -2.725 20.691 -1.889 599 1HG MET 71 1HG MET 71 -2.465 21.398 -3.964 600 2HG MET 71 2HG MET 71 -0.868 20.659 -4.061 601 1HE MET 71 1HE MET 71 -4.047 19.854 -6.753 602 2HE MET 71 2HE MET 71 -4.814 19.965 -5.169 603 3HE MET 71 3HE MET 71 -3.696 21.223 -5.697 604 H ASN 72 H ASN 72 -0.889 18.477 0.340 605 HA ASN 72 HA ASN 72 -1.741 20.517 2.243 606 1HB ASN 72 1HB ASN 72 -1.619 17.501 2.382 607 2HB ASN 72 2HB ASN 72 -2.039 18.506 3.764 608 1HD2 ASN 72 1HD2 ASN 72 -4.635 18.131 0.630 609 2HD2 ASN 72 2HD2 ASN 72 -2.948 17.825 0.420 610 H LEU 73 H LEU 73 0.941 20.690 1.337 611 HA LEU 73 HA LEU 73 2.589 19.631 3.486 612 1HB LEU 73 1HB LEU 73 3.037 20.703 0.795 613 2HB LEU 73 2HB LEU 73 4.228 21.227 1.970 614 HG LEU 73 HG LEU 73 4.070 18.518 2.447 615 1HD1 LEU 73 1HD1 LEU 73 4.429 18.525 -0.469 616 2HD1 LEU 73 2HD1 LEU 73 3.688 17.320 0.586 617 3HD1 LEU 73 3HD1 LEU 73 2.768 18.739 0.085 618 1HD2 LEU 73 1HD2 LEU 73 5.949 20.431 1.411 619 2HD2 LEU 73 2HD2 LEU 73 6.241 18.971 2.353 620 3HD2 LEU 73 3HD2 LEU 73 6.141 18.879 0.596 621 H GLY 74 H GLY 74 0.527 21.970 3.623 622 1HA GLY 74 1HA GLY 74 2.310 23.716 5.181 623 2HA GLY 74 2HA GLY 74 1.197 24.424 4.020 624 H GLY 75 H GLY 75 -0.274 25.466 5.223 625 1HA GLY 75 1HA GLY 75 -1.707 23.869 7.251 626 2HA GLY 75 2HA GLY 75 -1.217 25.523 7.583 627 H THR 76 H THR 76 -2.398 24.480 4.451 628 HA THR 76 HA THR 76 -4.343 26.520 4.345 629 HB THR 76 HB THR 76 -3.320 25.530 2.337 630 HG1 THR 76 HG1 THR 76 -5.195 25.504 1.131 631 1HG2 THR 76 1HG2 THR 76 -3.645 23.109 3.348 632 2HG2 THR 76 2HG2 THR 76 -5.138 23.198 2.413 633 3HG2 THR 76 3HG2 THR 76 -3.582 23.404 1.611 634 H GLY 77 H GLY 77 -6.604 26.432 4.460 635 1HA GLY 77 1HA GLY 77 -7.592 24.236 6.144 636 2HA GLY 77 2HA GLY 77 -8.324 25.828 6.005 637 H PHE 78 H PHE 78 -9.086 26.326 3.666 638 HA PHE 78 HA PHE 78 -10.664 24.010 2.813 639 1HB PHE 78 1HB PHE 78 -12.118 25.656 1.678 640 2HB PHE 78 2HB PHE 78 -11.982 25.954 3.404 641 HD1 PHE 78 HD1 PHE 78 -10.379 27.771 4.176 642 HD2 PHE 78 HD2 PHE 78 -11.623 27.324 0.132 643 HE1 PHE 78 HE1 PHE 78 -9.740 30.104 3.724 644 HE2 PHE 78 HE2 PHE 78 -10.982 29.653 -0.329 645 HZ PHE 78 HZ PHE 78 -10.040 31.047 1.470 646 H GLN 79 H GLN 79 -9.914 22.897 1.172 647 HA GLN 79 HA GLN 79 -8.145 24.142 -0.778 648 1HB GLN 79 1HB GLN 79 -7.824 21.811 -1.597 649 2HB GLN 79 2HB GLN 79 -7.400 22.027 0.093 650 1HG GLN 79 1HG GLN 79 -8.616 20.187 0.418 651 2HG GLN 79 2HG GLN 79 -10.001 21.270 0.290 652 1HE2 GLN 79 1HE2 GLN 79 -9.034 18.837 -2.857 653 2HE2 GLN 79 2HE2 GLN 79 -7.821 19.348 -1.738 Start of MODEL 7 1 1H MET 1 1H MET 1 -18.817 2.310 1.686 2 2H MET 1 2H MET 1 -17.139 2.667 1.655 3 3H MET 1 3H MET 1 -18.224 3.709 2.480 4 HA MET 1 HA MET 1 -18.565 3.171 -0.369 5 1HB MET 1 1HB MET 1 -19.493 5.074 1.701 6 2HB MET 1 2HB MET 1 -19.194 5.762 0.111 7 1HG MET 1 1HG MET 1 -20.731 4.164 -0.887 8 2HG MET 1 2HG MET 1 -21.005 3.427 0.691 9 1HE MET 1 1HE MET 1 -23.505 3.669 -0.010 10 2HE MET 1 2HE MET 1 -23.382 3.943 1.727 11 3HE MET 1 3HE MET 1 -24.407 4.985 0.742 12 H ASP 2 H ASP 2 -17.137 5.743 1.655 13 HA ASP 2 HA ASP 2 -15.497 6.777 -0.372 14 1HB ASP 2 1HB ASP 2 -15.719 7.101 2.563 15 2HB ASP 2 2HB ASP 2 -14.166 7.538 1.857 16 H ARG 3 H ARG 3 -13.305 6.536 -0.825 17 HA ARG 3 HA ARG 3 -12.177 3.976 0.048 18 1HB ARG 3 1HB ARG 3 -11.831 5.692 -2.373 19 2HB ARG 3 2HB ARG 3 -10.518 4.623 -1.901 20 1HG ARG 3 1HG ARG 3 -11.627 2.766 -2.521 21 2HG ARG 3 2HG ARG 3 -13.190 3.391 -1.991 22 1HD ARG 3 1HD ARG 3 -13.574 3.485 -4.217 23 2HD ARG 3 2HD ARG 3 -12.735 5.029 -4.064 24 HE ARG 3 HE ARG 3 -11.113 4.173 -5.403 25 1HH1 ARG 3 1HH1 ARG 3 -11.767 0.300 -4.618 26 2HH1 ARG 3 2HH1 ARG 3 -12.696 1.510 -3.798 27 1HH2 ARG 3 1HH2 ARG 3 -10.177 0.909 -6.143 28 2HH2 ARG 3 2HH2 ARG 3 -9.892 2.583 -6.485 29 H VAL 4 H VAL 4 -11.587 4.907 2.126 30 HA VAL 4 HA VAL 4 -9.014 6.320 1.951 31 HB VAL 4 HB VAL 4 -9.577 7.499 4.075 32 1HG1 VAL 4 1HG1 VAL 4 -10.987 9.211 3.024 33 2HG1 VAL 4 2HG1 VAL 4 -9.712 8.654 1.940 34 3HG1 VAL 4 3HG1 VAL 4 -11.367 8.086 1.720 35 1HG2 VAL 4 1HG2 VAL 4 -12.432 6.766 3.492 36 2HG2 VAL 4 2HG2 VAL 4 -11.439 5.877 4.647 37 3HG2 VAL 4 3HG2 VAL 4 -11.782 7.586 4.911 38 H LEU 5 H LEU 5 -7.426 5.359 3.001 39 HA LEU 5 HA LEU 5 -7.990 3.002 4.610 40 1HB LEU 5 1HB LEU 5 -5.774 2.404 4.263 41 2HB LEU 5 2HB LEU 5 -6.253 3.139 2.770 42 HG LEU 5 HG LEU 5 -4.821 4.761 4.837 43 1HD1 LEU 5 1HD1 LEU 5 -2.719 4.189 3.625 44 2HD1 LEU 5 2HD1 LEU 5 -3.391 2.863 4.565 45 3HD1 LEU 5 3HD1 LEU 5 -3.597 2.889 2.818 46 1HD2 LEU 5 1HD2 LEU 5 -5.333 6.233 3.237 47 2HD2 LEU 5 2HD2 LEU 5 -3.994 5.493 2.361 48 3HD2 LEU 5 3HD2 LEU 5 -5.649 4.972 2.049 49 H SER 6 H SER 6 -7.346 2.684 6.715 50 HA SER 6 HA SER 6 -7.174 5.113 8.297 51 1HB SER 6 1HB SER 6 -7.737 3.769 10.171 52 2HB SER 6 2HB SER 6 -8.699 3.136 8.836 53 HG SER 6 HG SER 6 -6.663 1.695 8.630 54 H ARG 7 H ARG 7 -5.809 4.407 10.501 55 HA ARG 7 HA ARG 7 -3.131 4.839 9.777 56 1HB ARG 7 1HB ARG 7 -2.615 4.596 12.135 57 2HB ARG 7 2HB ARG 7 -4.096 5.524 11.946 58 1HG ARG 7 1HG ARG 7 -4.295 2.585 12.375 59 2HG ARG 7 2HG ARG 7 -3.898 3.626 13.742 60 1HD ARG 7 1HD ARG 7 -6.037 4.851 12.368 61 2HD ARG 7 2HD ARG 7 -6.438 3.141 12.514 62 HE ARG 7 HE ARG 7 -5.499 4.239 14.974 63 1HH1 ARG 7 1HH1 ARG 7 -9.427 4.197 14.187 64 2HH1 ARG 7 2HH1 ARG 7 -8.292 3.979 12.899 65 1HH2 ARG 7 1HH2 ARG 7 -8.690 4.510 16.331 66 2HH2 ARG 7 2HH2 ARG 7 -6.993 4.529 16.675 67 H ALA 8 H ALA 8 -4.934 1.924 10.475 68 HA ALA 8 HA ALA 8 -2.705 0.193 10.763 69 1HB ALA 8 1HB ALA 8 -4.389 -1.614 10.348 70 2HB ALA 8 2HB ALA 8 -4.800 -0.502 11.655 71 3HB ALA 8 3HB ALA 8 -5.588 -0.347 10.085 72 H ASP 9 H ASP 9 -4.578 1.308 7.998 73 HA ASP 9 HA ASP 9 -3.557 -0.590 6.154 74 1HB ASP 9 1HB ASP 9 -4.875 2.098 5.840 75 2HB ASP 9 2HB ASP 9 -4.386 1.141 4.462 76 H LYS 10 H LYS 10 -2.791 2.873 6.598 77 HA LYS 10 HA LYS 10 -0.652 2.936 4.798 78 1HB LYS 10 1HB LYS 10 0.090 4.966 6.203 79 2HB LYS 10 2HB LYS 10 -1.461 5.034 5.384 80 1HG LYS 10 1HG LYS 10 -2.151 5.794 7.380 81 2HG LYS 10 2HG LYS 10 -2.264 4.079 7.748 82 1HD LYS 10 1HD LYS 10 -1.091 4.923 9.567 83 2HD LYS 10 2HD LYS 10 0.193 4.319 8.521 84 1HE LYS 10 1HE LYS 10 1.063 6.355 8.251 85 2HE LYS 10 2HE LYS 10 -0.515 7.068 7.916 86 1HZ LYS 10 1HZ LYS 10 0.187 8.103 9.858 87 2HZ LYS 10 2HZ LYS 10 -0.858 6.902 10.426 88 3HZ LYS 10 3HZ LYS 10 0.815 6.680 10.525 89 H GLU 11 H GLU 11 -0.647 2.389 8.308 90 HA GLU 11 HA GLU 11 2.154 2.235 8.574 91 1HB GLU 11 1HB GLU 11 1.765 1.289 10.745 92 2HB GLU 11 2HB GLU 11 0.555 2.533 10.463 93 1HG GLU 11 1HG GLU 11 -0.932 1.025 11.120 94 2HG GLU 11 2HG GLU 11 -0.683 0.260 9.552 95 H ARG 12 H ARG 12 -0.234 -0.092 7.556 96 HA ARG 12 HA ARG 12 1.533 -2.356 7.781 97 1HB ARG 12 1HB ARG 12 -0.845 -2.739 7.987 98 2HB ARG 12 2HB ARG 12 -1.145 -1.999 6.421 99 1HG ARG 12 1HG ARG 12 -1.307 -4.391 6.234 100 2HG ARG 12 2HG ARG 12 0.109 -3.827 5.344 101 1HD ARG 12 1HD ARG 12 1.330 -4.317 7.617 102 2HD ARG 12 2HD ARG 12 -0.052 -5.378 7.882 103 HE ARG 12 HE ARG 12 1.456 -5.645 5.391 104 1HH1 ARG 12 1HH1 ARG 12 1.196 -8.529 8.160 105 2HH1 ARG 12 2HH1 ARG 12 0.613 -6.942 8.527 106 1HH2 ARG 12 1HH2 ARG 12 2.109 -8.979 6.119 107 2HH2 ARG 12 2HH2 ARG 12 2.222 -7.734 4.920 108 H LEU 13 H LEU 13 0.537 -0.081 5.316 109 HA LEU 13 HA LEU 13 1.652 -1.419 3.086 110 1HB LEU 13 1HB LEU 13 0.035 0.298 2.721 111 2HB LEU 13 2HB LEU 13 0.970 1.464 3.630 112 HG LEU 13 HG LEU 13 2.726 0.864 1.647 113 1HD1 LEU 13 1HD1 LEU 13 1.081 -0.603 0.545 114 2HD1 LEU 13 2HD1 LEU 13 -0.006 0.776 0.383 115 3HD1 LEU 13 3HD1 LEU 13 1.545 0.775 -0.455 116 1HD2 LEU 13 1HD2 LEU 13 2.368 3.025 0.937 117 2HD2 LEU 13 2HD2 LEU 13 0.617 2.912 1.131 118 3HD2 LEU 13 3HD2 LEU 13 1.656 3.066 2.551 119 H LEU 14 H LEU 14 2.924 0.729 5.527 120 HA LEU 14 HA LEU 14 5.386 1.308 4.235 121 1HB LEU 14 1HB LEU 14 4.307 1.598 6.999 122 2HB LEU 14 2HB LEU 14 6.040 1.729 6.765 123 HG LEU 14 HG LEU 14 3.911 3.467 5.522 124 1HD1 LEU 14 1HD1 LEU 14 5.193 5.243 6.766 125 2HD1 LEU 14 2HD1 LEU 14 4.274 4.116 7.763 126 3HD1 LEU 14 3HD1 LEU 14 6.021 3.935 7.610 127 1HD2 LEU 14 1HD2 LEU 14 6.540 2.843 4.575 128 2HD2 LEU 14 2HD2 LEU 14 5.330 3.921 3.881 129 3HD2 LEU 14 3HD2 LEU 14 6.474 4.534 5.074 130 H GLU 15 H GLU 15 4.275 -1.226 6.393 131 HA GLU 15 HA GLU 15 6.737 -2.336 7.106 132 1HB GLU 15 1HB GLU 15 3.955 -3.423 6.865 133 2HB GLU 15 2HB GLU 15 5.289 -4.526 7.175 134 1HG GLU 15 1HG GLU 15 4.804 -2.102 8.871 135 2HG GLU 15 2HG GLU 15 4.002 -3.640 9.179 136 H LEU 16 H LEU 16 4.624 -3.019 4.339 137 HA LEU 16 HA LEU 16 6.418 -4.950 3.202 138 1HB LEU 16 1HB LEU 16 4.218 -3.496 1.755 139 2HB LEU 16 2HB LEU 16 4.888 -5.073 1.390 140 HG LEU 16 HG LEU 16 3.209 -4.397 3.805 141 1HD1 LEU 16 1HD1 LEU 16 2.059 -4.448 1.559 142 2HD1 LEU 16 2HD1 LEU 16 2.491 -6.157 1.475 143 3HD1 LEU 16 3HD1 LEU 16 1.442 -5.574 2.770 144 1HD2 LEU 16 1HD2 LEU 16 5.076 -6.445 3.475 145 2HD2 LEU 16 2HD2 LEU 16 3.812 -6.341 4.700 146 3HD2 LEU 16 3HD2 LEU 16 3.506 -7.199 3.189 147 H LEU 17 H LEU 17 6.245 -1.554 3.236 148 HA LEU 17 HA LEU 17 7.656 -1.195 0.729 149 1HB LEU 17 1HB LEU 17 6.321 0.562 2.701 150 2HB LEU 17 2HB LEU 17 7.636 1.259 1.782 151 HG LEU 17 HG LEU 17 5.205 1.544 0.939 152 1HD1 LEU 17 1HD1 LEU 17 6.020 1.342 -1.440 153 2HD1 LEU 17 2HD1 LEU 17 6.978 2.358 -0.365 154 3HD1 LEU 17 3HD1 LEU 17 7.530 0.734 -0.770 155 1HD2 LEU 17 1HD2 LEU 17 4.082 -0.318 0.491 156 2HD2 LEU 17 2HD2 LEU 17 5.186 -0.587 -0.855 157 3HD2 LEU 17 3HD2 LEU 17 5.514 -1.317 0.711 158 H LYS 18 H LYS 18 8.495 -1.852 3.928 159 HA LYS 18 HA LYS 18 10.438 -1.675 5.124 160 1HB LYS 18 1HB LYS 18 11.144 -2.288 2.371 161 2HB LYS 18 2HB LYS 18 12.426 -1.425 3.204 162 1HG LYS 18 1HG LYS 18 12.996 -3.571 3.714 163 2HG LYS 18 2HG LYS 18 11.943 -3.208 5.082 164 1HD LYS 18 1HD LYS 18 10.271 -4.126 3.010 165 2HD LYS 18 2HD LYS 18 11.658 -5.215 3.050 166 1HE LYS 18 1HE LYS 18 10.270 -4.450 5.586 167 2HE LYS 18 2HE LYS 18 9.589 -5.703 4.549 168 1HZ LYS 18 1HZ LYS 18 11.932 -5.778 6.240 169 2HZ LYS 18 2HZ LYS 18 10.929 -7.037 5.725 170 3HZ LYS 18 3HZ LYS 18 12.154 -6.463 4.709 171 H LEU 19 H LEU 19 9.048 0.750 4.089 172 HA LEU 19 HA LEU 19 11.223 2.709 4.200 173 1HB LEU 19 1HB LEU 19 9.922 2.718 2.144 174 2HB LEU 19 2HB LEU 19 8.434 2.854 3.055 175 HG LEU 19 HG LEU 19 10.319 5.026 3.589 176 1HD1 LEU 19 1HD1 LEU 19 9.287 5.892 1.197 177 2HD1 LEU 19 2HD1 LEU 19 10.948 5.367 1.470 178 3HD1 LEU 19 3HD1 LEU 19 9.758 4.230 0.838 179 1HD2 LEU 19 1HD2 LEU 19 7.421 4.598 3.101 180 2HD2 LEU 19 2HD2 LEU 19 8.230 5.465 4.405 181 3HD2 LEU 19 3HD2 LEU 19 8.078 6.206 2.814 182 HA PRO 20 HA PRO 20 9.804 3.265 8.455 183 1HB PRO 20 1HB PRO 20 11.240 5.834 7.922 184 2HB PRO 20 2HB PRO 20 11.324 4.770 9.331 185 1HG PRO 20 1HG PRO 20 13.251 4.752 7.494 186 2HG PRO 20 2HG PRO 20 12.712 3.252 8.270 187 1HD PRO 20 1HD PRO 20 12.218 4.239 5.516 188 2HD PRO 20 2HD PRO 20 12.317 2.574 6.120 189 H ARG 21 H ARG 21 8.603 4.895 9.650 190 HA ARG 21 HA ARG 21 6.562 6.125 7.987 191 1HB ARG 21 1HB ARG 21 6.683 6.021 11.000 192 2HB ARG 21 2HB ARG 21 5.276 6.352 10.003 193 1HG ARG 21 1HG ARG 21 4.864 4.176 9.638 194 2HG ARG 21 2HG ARG 21 6.575 3.769 9.488 195 1HD ARG 21 1HD ARG 21 5.729 4.558 12.183 196 2HD ARG 21 2HD ARG 21 4.985 3.077 11.586 197 HE ARG 21 HE ARG 21 7.277 2.245 11.204 198 1HH1 ARG 21 1HH1 ARG 21 8.246 4.509 14.365 199 2HH1 ARG 21 2HH1 ARG 21 6.798 4.857 13.484 200 1HH2 ARG 21 1HH2 ARG 21 9.592 2.781 13.735 201 2HH2 ARG 21 2HH2 ARG 21 9.174 1.799 12.370 202 H GLN 22 H GLN 22 9.476 7.085 9.175 203 HA GLN 22 HA GLN 22 8.788 9.711 10.117 204 1HB GLN 22 1HB GLN 22 10.780 8.443 10.899 205 2HB GLN 22 2HB GLN 22 11.479 8.615 9.296 206 1HG GLN 22 1HG GLN 22 12.493 10.374 10.274 207 2HG GLN 22 2HG GLN 22 10.999 11.182 9.800 208 1HE2 GLN 22 1HE2 GLN 22 9.706 11.342 13.109 209 2HE2 GLN 22 2HE2 GLN 22 9.246 11.133 11.457 210 H LEU 23 H LEU 23 9.754 8.262 7.117 211 HA LEU 23 HA LEU 23 9.799 10.901 5.845 212 1HB LEU 23 1HB LEU 23 11.143 10.006 4.107 213 2HB LEU 23 2HB LEU 23 11.841 9.491 5.625 214 HG LEU 23 HG LEU 23 12.021 7.660 4.140 215 1HD1 LEU 23 1HD1 LEU 23 11.209 7.110 6.436 216 2HD1 LEU 23 2HD1 LEU 23 9.578 7.036 5.774 217 3HD1 LEU 23 3HD1 LEU 23 10.808 5.906 5.208 218 1HD2 LEU 23 1HD2 LEU 23 10.469 6.954 2.643 219 2HD2 LEU 23 2HD2 LEU 23 9.112 7.521 3.613 220 3HD2 LEU 23 3HD2 LEU 23 10.093 8.671 2.703 221 H TRP 24 H TRP 24 7.485 9.120 6.602 222 HA TRP 24 HA TRP 24 6.216 7.993 4.405 223 1HB TRP 24 1HB TRP 24 5.388 7.640 6.630 224 2HB TRP 24 2HB TRP 24 5.117 9.360 6.865 225 HD1 TRP 24 HD1 TRP 24 2.781 10.290 6.239 226 HE1 TRP 24 HE1 TRP 24 0.634 9.257 5.268 227 HE3 TRP 24 HE3 TRP 24 4.627 5.735 4.837 228 HZ2 TRP 24 HZ2 TRP 24 -0.176 6.828 4.075 229 HZ3 TRP 24 HZ3 TRP 24 3.100 4.113 3.786 230 HH2 TRP 24 HH2 TRP 24 0.751 4.653 3.411 231 H GLY 25 H GLY 25 6.860 11.309 5.027 232 1HA GLY 25 1HA GLY 25 4.661 12.349 3.484 233 2HA GLY 25 2HA GLY 25 6.018 13.266 4.116 234 H ASP 26 H ASP 26 7.816 11.171 2.738 235 HA ASP 26 HA ASP 26 8.033 12.656 0.264 236 1HB ASP 26 1HB ASP 26 9.971 11.819 1.779 237 2HB ASP 26 2HB ASP 26 9.727 10.274 0.971 238 H PHE 27 H PHE 27 7.241 12.065 -1.639 239 HA PHE 27 HA PHE 27 5.818 9.566 -1.896 240 1HB PHE 27 1HB PHE 27 4.848 11.621 -2.806 241 2HB PHE 27 2HB PHE 27 6.235 11.820 -3.871 242 HD1 PHE 27 HD1 PHE 27 5.583 11.513 -6.044 243 HD2 PHE 27 HD2 PHE 27 4.067 8.893 -3.058 244 HE1 PHE 27 HE1 PHE 27 4.435 10.202 -7.783 245 HE2 PHE 27 HE2 PHE 27 2.918 7.575 -4.788 246 HZ PHE 27 HZ PHE 27 3.100 8.229 -7.156 247 H GLY 28 H GLY 28 8.696 11.070 -3.286 248 1HA GLY 28 1HA GLY 28 9.234 9.099 -5.225 249 2HA GLY 28 2HA GLY 28 10.410 10.215 -4.549 250 H ARG 29 H ARG 29 9.902 9.213 -1.801 251 HA ARG 29 HA ARG 29 11.851 7.116 -1.835 252 1HB ARG 29 1HB ARG 29 10.275 8.469 0.343 253 2HB ARG 29 2HB ARG 29 11.307 7.087 0.683 254 1HG ARG 29 1HG ARG 29 12.331 9.542 -0.700 255 2HG ARG 29 2HG ARG 29 12.297 9.386 1.058 256 1HD ARG 29 1HD ARG 29 13.720 7.448 0.963 257 2HD ARG 29 2HD ARG 29 13.651 7.437 -0.800 258 HE ARG 29 HE ARG 29 14.667 9.904 0.173 259 1HH1 ARG 29 1HH1 ARG 29 17.233 6.920 -0.563 260 2HH1 ARG 29 2HH1 ARG 29 15.548 6.573 -0.375 261 1HH2 ARG 29 1HH2 ARG 29 17.993 9.072 -0.392 262 2HH2 ARG 29 2HH2 ARG 29 16.881 10.362 -0.075 263 H MET 30 H MET 30 8.433 7.295 -0.870 264 HA MET 30 HA MET 30 8.121 4.604 -0.185 265 1HB MET 30 1HB MET 30 5.660 5.034 -0.726 266 2HB MET 30 2HB MET 30 6.400 6.040 0.509 267 1HG MET 30 1HG MET 30 6.706 7.816 -1.184 268 2HG MET 30 2HG MET 30 5.855 6.807 -2.348 269 1HE MET 30 1HE MET 30 4.331 8.962 1.306 270 2HE MET 30 2HE MET 30 4.355 7.226 1.617 271 3HE MET 30 3HE MET 30 5.835 8.057 1.135 272 H GLN 31 H GLN 31 7.500 6.238 -3.286 273 HA GLN 31 HA GLN 31 6.584 3.988 -4.680 274 1HB GLN 31 1HB GLN 31 6.504 6.437 -5.402 275 2HB GLN 31 2HB GLN 31 8.164 6.223 -5.940 276 1HG GLN 31 1HG GLN 31 7.405 4.386 -7.411 277 2HG GLN 31 2HG GLN 31 5.745 4.736 -6.932 278 1HE2 GLN 31 1HE2 GLN 31 7.494 6.809 -9.860 279 2HE2 GLN 31 2HE2 GLN 31 8.189 5.414 -9.115 280 H GLN 32 H GLN 32 9.830 5.169 -4.050 281 HA GLN 32 HA GLN 32 11.232 3.538 -5.849 282 1HB GLN 32 1HB GLN 32 11.854 5.278 -3.629 283 2HB GLN 32 2HB GLN 32 12.847 3.829 -3.560 284 1HG GLN 32 1HG GLN 32 13.336 4.295 -6.036 285 2HG GLN 32 2HG GLN 32 12.705 5.908 -5.706 286 1HE2 GLN 32 1HE2 GLN 32 16.431 4.895 -4.638 287 2HE2 GLN 32 2HE2 GLN 32 15.380 3.858 -5.537 288 H ALA 33 H ALA 33 10.190 2.987 -2.517 289 HA ALA 33 HA ALA 33 11.379 0.380 -2.387 290 1HB ALA 33 1HB ALA 33 10.361 2.211 -0.536 291 2HB ALA 33 2HB ALA 33 9.329 0.788 -0.414 292 3HB ALA 33 3HB ALA 33 11.071 0.632 -0.204 293 H TYR 34 H TYR 34 8.130 1.677 -2.952 294 HA TYR 34 HA TYR 34 6.616 -0.620 -2.842 295 1HB TYR 34 1HB TYR 34 5.620 1.584 -3.251 296 2HB TYR 34 2HB TYR 34 6.363 1.638 -4.845 297 HD1 TYR 34 HD1 TYR 34 5.713 -0.269 -6.481 298 HD2 TYR 34 HD2 TYR 34 3.442 0.745 -3.017 299 HE1 TYR 34 HE1 TYR 34 3.749 -1.386 -7.449 300 HE2 TYR 34 HE2 TYR 34 1.484 -0.389 -3.983 301 HH TYR 34 HH TYR 34 1.640 -2.047 -7.109 302 H LYS 35 H LYS 35 8.510 0.599 -5.590 303 HA LYS 35 HA LYS 35 7.857 -1.638 -7.255 304 1HB LYS 35 1HB LYS 35 9.162 0.889 -7.559 305 2HB LYS 35 2HB LYS 35 10.219 -0.366 -8.190 306 1HG LYS 35 1HG LYS 35 7.900 -1.129 -9.297 307 2HG LYS 35 2HG LYS 35 7.624 0.610 -9.186 308 1HD LYS 35 1HD LYS 35 10.029 0.754 -10.208 309 2HD LYS 35 2HD LYS 35 9.686 -0.895 -10.737 310 1HE LYS 35 1HE LYS 35 7.865 -0.210 -12.050 311 2HE LYS 35 2HE LYS 35 7.771 1.360 -11.253 312 1HZ LYS 35 1HZ LYS 35 9.503 2.183 -12.462 313 2HZ LYS 35 2HZ LYS 35 10.220 0.670 -12.705 314 3HZ LYS 35 3HZ LYS 35 8.854 1.110 -13.599 315 H GLN 36 H GLN 36 10.394 -0.844 -5.003 316 HA GLN 36 HA GLN 36 12.209 -2.887 -5.834 317 1HB GLN 36 1HB GLN 36 12.316 -0.701 -4.124 318 2HB GLN 36 2HB GLN 36 12.446 -2.080 -3.042 319 1HG GLN 36 1HG GLN 36 14.247 -2.904 -4.705 320 2HG GLN 36 2HG GLN 36 14.275 -1.225 -5.241 321 1HE2 GLN 36 1HE2 GLN 36 16.792 -0.873 -2.835 322 2HE2 GLN 36 2HE2 GLN 36 16.427 -1.054 -4.514 323 H GLN 37 H GLN 37 9.519 -2.702 -3.617 324 HA GLN 37 HA GLN 37 10.092 -5.318 -2.480 325 1HB GLN 37 1HB GLN 37 7.710 -3.531 -1.991 326 2HB GLN 37 2HB GLN 37 8.211 -4.909 -1.020 327 1HG GLN 37 1HG GLN 37 10.053 -2.590 -1.403 328 2HG GLN 37 2HG GLN 37 8.750 -2.508 -0.220 329 1HE2 GLN 37 1HE2 GLN 37 12.079 -3.947 1.037 330 2HE2 GLN 37 2HE2 GLN 37 11.786 -2.695 -0.114 331 H SER 38 H SER 38 8.263 -3.950 -5.033 332 HA SER 38 HA SER 38 6.213 -5.912 -5.186 333 1HB SER 38 1HB SER 38 5.925 -5.050 -7.531 334 2HB SER 38 2HB SER 38 5.877 -3.796 -6.291 335 HG SER 38 HG SER 38 7.229 -3.389 -8.212 336 H LEU 39 H LEU 39 9.512 -5.761 -6.260 337 HA LEU 39 HA LEU 39 9.319 -7.894 -8.158 338 1HB LEU 39 1HB LEU 39 11.515 -6.294 -6.950 339 2HB LEU 39 2HB LEU 39 11.933 -7.834 -7.677 340 HG LEU 39 HG LEU 39 10.243 -6.094 -9.351 341 1HD1 LEU 39 1HD1 LEU 39 12.139 -4.678 -10.028 342 2HD1 LEU 39 2HD1 LEU 39 11.636 -4.385 -8.363 343 3HD1 LEU 39 3HD1 LEU 39 13.085 -5.336 -8.692 344 1HD2 LEU 39 1HD2 LEU 39 11.605 -8.353 -9.782 345 2HD2 LEU 39 2HD2 LEU 39 11.289 -7.169 -11.050 346 3HD2 LEU 39 3HD2 LEU 39 12.849 -7.185 -10.228 347 H LEU 40 H LEU 40 9.955 -7.676 -4.723 348 HA LEU 40 HA LEU 40 10.805 -10.458 -4.614 349 1HB LEU 40 1HB LEU 40 11.236 -10.097 -2.282 350 2HB LEU 40 2HB LEU 40 11.926 -8.776 -3.203 351 HG LEU 40 HG LEU 40 9.568 -7.667 -2.588 352 1HD1 LEU 40 1HD1 LEU 40 8.680 -8.307 -0.558 353 2HD1 LEU 40 2HD1 LEU 40 9.077 -9.861 -1.291 354 3HD1 LEU 40 3HD1 LEU 40 10.142 -9.164 -0.070 355 1HD2 LEU 40 1HD2 LEU 40 11.799 -6.740 -2.165 356 2HD2 LEU 40 2HD2 LEU 40 10.715 -6.507 -0.793 357 3HD2 LEU 40 3HD2 LEU 40 11.945 -7.768 -0.740 358 H LEU 41 H LEU 41 7.928 -8.630 -4.338 359 HA LEU 41 HA LEU 41 6.555 -10.724 -2.835 360 1HB LEU 41 1HB LEU 41 5.627 -8.027 -3.826 361 2HB LEU 41 2HB LEU 41 4.602 -9.165 -2.971 362 HG LEU 41 HG LEU 41 7.106 -7.920 -1.832 363 1HD1 LEU 41 1HD1 LEU 41 5.307 -6.822 -0.331 364 2HD1 LEU 41 2HD1 LEU 41 5.625 -6.144 -1.928 365 3HD1 LEU 41 3HD1 LEU 41 4.216 -7.172 -1.670 366 1HD2 LEU 41 1HD2 LEU 41 6.405 -8.875 0.262 367 2HD2 LEU 41 2HD2 LEU 41 4.943 -9.525 -0.478 368 3HD2 LEU 41 3HD2 LEU 41 6.523 -10.157 -0.943 369 H HIS 42 H HIS 42 7.544 -10.653 -5.800 370 HA HIS 42 HA HIS 42 5.099 -11.097 -7.267 371 1HB HIS 42 1HB HIS 42 7.249 -10.042 -8.183 372 2HB HIS 42 2HB HIS 42 7.907 -11.674 -8.212 373 HD1 HIS 42 HD1 HIS 42 7.702 -12.739 -10.412 374 HD2 HIS 42 HD2 HIS 42 4.638 -10.015 -9.753 375 HE1 HIS 42 HE1 HIS 42 6.336 -12.745 -12.523 376 HE2 HIS 42 HE2 HIS 42 4.422 -11.173 -12.056 377 HA PRO 43 HA PRO 43 4.722 -15.401 -6.275 378 1HB PRO 43 1HB PRO 43 3.466 -16.206 -8.607 379 2HB PRO 43 2HB PRO 43 2.654 -15.498 -7.208 380 1HG PRO 43 1HG PRO 43 3.520 -14.203 -9.755 381 2HG PRO 43 2HG PRO 43 2.044 -13.942 -8.807 382 1HD PRO 43 1HD PRO 43 4.095 -12.214 -8.727 383 2HD PRO 43 2HD PRO 43 3.121 -12.558 -7.286 384 H ASP 44 H ASP 44 6.457 -14.223 -9.010 385 HA ASP 44 HA ASP 44 7.418 -16.842 -9.802 386 1HB ASP 44 1HB ASP 44 7.040 -14.608 -11.241 387 2HB ASP 44 2HB ASP 44 8.735 -14.382 -10.818 388 H LYS 45 H LYS 45 8.341 -14.297 -7.675 389 HA LYS 45 HA LYS 45 11.064 -15.370 -7.436 390 1HB LYS 45 1HB LYS 45 9.805 -12.749 -6.671 391 2HB LYS 45 2HB LYS 45 11.327 -13.261 -5.956 392 1HG LYS 45 1HG LYS 45 11.816 -11.826 -7.788 393 2HG LYS 45 2HG LYS 45 12.265 -13.468 -8.251 394 1HD LYS 45 1HD LYS 45 10.955 -13.316 -10.042 395 2HD LYS 45 2HD LYS 45 9.555 -13.070 -8.997 396 1HE LYS 45 1HE LYS 45 9.531 -11.191 -10.355 397 2HE LYS 45 2HE LYS 45 10.337 -10.619 -8.898 398 1HZ LYS 45 1HZ LYS 45 11.354 -10.052 -11.161 399 2HZ LYS 45 2HZ LYS 45 12.387 -10.599 -9.939 400 3HZ LYS 45 3HZ LYS 45 11.903 -11.652 -11.171 401 H GLY 46 H GLY 46 8.698 -16.725 -6.387 402 1HA GLY 46 1HA GLY 46 8.110 -17.893 -4.504 403 2HA GLY 46 2HA GLY 46 9.686 -17.458 -3.856 404 H GLY 47 H GLY 47 6.864 -15.465 -4.735 405 1HA GLY 47 1HA GLY 47 6.896 -14.440 -1.963 406 2HA GLY 47 2HA GLY 47 6.481 -13.461 -3.361 407 H SER 48 H SER 48 4.771 -13.496 -1.261 408 HA SER 48 HA SER 48 2.684 -15.452 -1.802 409 1HB SER 48 1HB SER 48 3.312 -13.559 0.385 410 2HB SER 48 2HB SER 48 1.596 -13.806 0.063 411 HG SER 48 HG SER 48 2.981 -15.315 1.536 412 H HIS 49 H HIS 49 0.697 -14.991 -2.671 413 HA HIS 49 HA HIS 49 0.554 -12.706 -4.386 414 1HB HIS 49 1HB HIS 49 -1.606 -13.610 -5.084 415 2HB HIS 49 2HB HIS 49 -0.392 -14.884 -5.037 416 HD1 HIS 49 HD1 HIS 49 -3.426 -13.648 -3.188 417 HD2 HIS 49 HD2 HIS 49 -0.920 -16.959 -3.293 418 HE1 HIS 49 HE1 HIS 49 -4.558 -15.391 -1.774 419 HE2 HIS 49 HE2 HIS 49 -3.082 -17.426 -1.952 420 H ALA 50 H ALA 50 -0.975 -13.670 -1.358 421 HA ALA 50 HA ALA 50 -2.925 -11.693 -1.170 422 1HB ALA 50 1HB ALA 50 -3.304 -12.528 0.877 423 2HB ALA 50 2HB ALA 50 -2.134 -13.760 0.400 424 3HB ALA 50 3HB ALA 50 -1.615 -12.377 1.363 425 H LEU 51 H LEU 51 0.516 -11.464 -0.775 426 HA LEU 51 HA LEU 51 0.446 -8.983 0.681 427 1HB LEU 51 1HB LEU 51 2.520 -10.802 -0.369 428 2HB LEU 51 2HB LEU 51 2.975 -9.110 -0.283 429 HG LEU 51 HG LEU 51 1.988 -9.370 2.183 430 1HD1 LEU 51 1HD1 LEU 51 2.094 -12.055 1.219 431 2HD1 LEU 51 2HD1 LEU 51 3.275 -11.856 2.513 432 3HD1 LEU 51 3HD1 LEU 51 1.581 -11.458 2.796 433 1HD2 LEU 51 1HD2 LEU 51 4.745 -10.333 1.439 434 2HD2 LEU 51 2HD2 LEU 51 4.262 -8.637 1.484 435 3HD2 LEU 51 3HD2 LEU 51 4.242 -9.600 2.962 436 H MET 52 H MET 52 1.313 -9.918 -2.646 437 HA MET 52 HA MET 52 1.859 -7.337 -3.581 438 1HB MET 52 1HB MET 52 2.467 -9.435 -4.762 439 2HB MET 52 2HB MET 52 0.773 -9.664 -5.169 440 1HG MET 52 1HG MET 52 1.541 -8.709 -7.087 441 2HG MET 52 2HG MET 52 1.010 -7.277 -6.206 442 1HE MET 52 1HE MET 52 2.223 -5.882 -4.926 443 2HE MET 52 2HE MET 52 3.965 -5.842 -4.645 444 3HE MET 52 3HE MET 52 3.281 -5.036 -6.055 445 H GLN 53 H GLN 53 -1.160 -9.200 -3.607 446 HA GLN 53 HA GLN 53 -2.694 -7.303 -5.015 447 1HB GLN 53 1HB GLN 53 -4.640 -8.520 -4.190 448 2HB GLN 53 2HB GLN 53 -3.393 -9.638 -4.726 449 1HG GLN 53 1HG GLN 53 -2.949 -10.375 -2.609 450 2HG GLN 53 2HG GLN 53 -3.491 -8.880 -1.851 451 1HE2 GLN 53 1HE2 GLN 53 -6.197 -11.777 -2.853 452 2HE2 GLN 53 2HE2 GLN 53 -4.671 -11.683 -3.657 453 H GLU 54 H GLU 54 -1.663 -7.466 -1.714 454 HA GLU 54 HA GLU 54 -3.639 -5.625 -0.718 455 1HB GLU 54 1HB GLU 54 -1.237 -6.997 0.409 456 2HB GLU 54 2HB GLU 54 -1.870 -5.585 1.244 457 1HG GLU 54 1HG GLU 54 -3.593 -7.934 0.519 458 2HG GLU 54 2HG GLU 54 -2.684 -7.846 2.029 459 H LEU 55 H LEU 55 -0.214 -5.466 -1.616 460 HA LEU 55 HA LEU 55 0.326 -2.856 -0.833 461 1HB LEU 55 1HB LEU 55 1.823 -4.760 -1.835 462 2HB LEU 55 2HB LEU 55 1.470 -3.972 -3.359 463 HG LEU 55 HG LEU 55 2.540 -1.946 -2.646 464 1HD1 LEU 55 1HD1 LEU 55 2.021 -2.955 -0.023 465 2HD1 LEU 55 2HD1 LEU 55 3.743 -2.621 -0.190 466 3HD1 LEU 55 3HD1 LEU 55 2.564 -1.350 -0.512 467 1HD2 LEU 55 1HD2 LEU 55 4.794 -3.194 -1.772 468 2HD2 LEU 55 2HD2 LEU 55 3.916 -4.527 -2.524 469 3HD2 LEU 55 3HD2 LEU 55 4.294 -3.079 -3.460 470 H ASN 56 H ASN 56 -0.831 -4.025 -3.997 471 HA ASN 56 HA ASN 56 -0.990 -1.500 -5.219 472 1HB ASN 56 1HB ASN 56 -1.808 -4.218 -5.836 473 2HB ASN 56 2HB ASN 56 -3.007 -3.051 -6.384 474 1HD2 ASN 56 1HD2 ASN 56 0.491 -3.497 -8.312 475 2HD2 ASN 56 2HD2 ASN 56 0.055 -4.433 -6.927 476 H SER 57 H SER 57 -3.186 -3.217 -3.106 477 HA SER 57 HA SER 57 -5.396 -1.433 -3.579 478 1HB SER 57 1HB SER 57 -5.532 -3.897 -2.840 479 2HB SER 57 2HB SER 57 -5.145 -3.298 -1.226 480 HG SER 57 HG SER 57 -7.449 -3.484 -1.804 481 H LEU 58 H LEU 58 -2.833 -1.777 -1.202 482 HA LEU 58 HA LEU 58 -3.918 0.288 0.508 483 1HB LEU 58 1HB LEU 58 -1.519 -1.485 0.567 484 2HB LEU 58 2HB LEU 58 -1.508 -0.026 1.537 485 HG LEU 58 HG LEU 58 -3.669 -2.119 1.730 486 1HD1 LEU 58 1HD1 LEU 58 -1.314 -2.905 2.310 487 2HD1 LEU 58 2HD1 LEU 58 -1.402 -1.779 3.664 488 3HD1 LEU 58 3HD1 LEU 58 -2.561 -3.103 3.542 489 1HD2 LEU 58 1HD2 LEU 58 -4.102 0.261 2.494 490 2HD2 LEU 58 2HD2 LEU 58 -4.347 -1.006 3.693 491 3HD2 LEU 58 3HD2 LEU 58 -2.886 -0.021 3.738 492 H TRP 59 H TRP 59 -1.714 0.064 -2.148 493 HA TRP 59 HA TRP 59 -0.522 2.658 -1.621 494 1HB TRP 59 1HB TRP 59 0.948 0.951 -2.466 495 2HB TRP 59 2HB TRP 59 -0.146 0.595 -3.794 496 HD1 TRP 59 HD1 TRP 59 0.419 1.691 -6.020 497 HE1 TRP 59 HE1 TRP 59 1.969 3.587 -6.804 498 HE3 TRP 59 HE3 TRP 59 1.976 3.418 -1.458 499 HZ2 TRP 59 HZ2 TRP 59 3.631 5.544 -5.652 500 HZ3 TRP 59 HZ3 TRP 59 3.555 5.298 -1.397 501 HH2 TRP 59 HH2 TRP 59 4.361 6.339 -3.451 502 H GLY 60 H GLY 60 -3.060 1.207 -3.483 503 1HA GLY 60 1HA GLY 60 -3.322 3.289 -5.419 504 2HA GLY 60 2HA GLY 60 -4.513 2.054 -5.063 505 H THR 61 H THR 61 -5.479 2.413 -2.688 506 HA THR 61 HA THR 61 -7.059 4.710 -2.767 507 HB THR 61 HB THR 61 -7.046 2.494 -1.246 508 HG1 THR 61 HG1 THR 61 -8.356 4.921 -1.041 509 1HG2 THR 61 1HG2 THR 61 -5.802 2.600 0.557 510 2HG2 THR 61 2HG2 THR 61 -5.502 4.320 0.358 511 3HG2 THR 61 3HG2 THR 61 -6.970 3.777 1.151 512 H PHE 62 H PHE 62 -4.157 3.944 -1.048 513 HA PHE 62 HA PHE 62 -3.586 6.232 0.385 514 1HB PHE 62 1HB PHE 62 -2.224 4.210 0.464 515 2HB PHE 62 2HB PHE 62 -1.750 4.438 -1.217 516 HD1 PHE 62 HD1 PHE 62 0.575 4.197 -0.505 517 HD2 PHE 62 HD2 PHE 62 -1.886 7.373 0.917 518 HE1 PHE 62 HE1 PHE 62 2.577 5.417 0.237 519 HE2 PHE 62 HE2 PHE 62 0.119 8.599 1.653 520 HZ PHE 62 HZ PHE 62 2.352 7.613 1.313 521 H LYS 63 H LYS 63 -2.674 5.440 -2.917 522 HA LYS 63 HA LYS 63 -1.415 7.797 -3.643 523 1HB LYS 63 1HB LYS 63 -2.328 5.398 -4.880 524 2HB LYS 63 2HB LYS 63 -2.821 6.737 -5.881 525 1HG LYS 63 1HG LYS 63 -0.484 7.534 -5.918 526 2HG LYS 63 2HG LYS 63 -0.022 6.117 -4.975 527 1HD LYS 63 1HD LYS 63 -1.233 6.127 -7.739 528 2HD LYS 63 2HD LYS 63 0.434 5.731 -7.322 529 1HE LYS 63 1HE LYS 63 -0.149 3.608 -7.025 530 2HE LYS 63 2HE LYS 63 -1.269 4.079 -5.749 531 1HZ LYS 63 1HZ LYS 63 -2.147 4.447 -8.509 532 2HZ LYS 63 2HZ LYS 63 -2.045 2.855 -7.948 533 3HZ LYS 63 3HZ LYS 63 -3.032 3.972 -7.148 534 H THR 64 H THR 64 -4.853 6.961 -3.677 535 HA THR 64 HA THR 64 -5.911 9.000 -5.181 536 HB THR 64 HB THR 64 -7.057 8.099 -2.532 537 HG1 THR 64 HG1 THR 64 -7.038 6.856 -5.064 538 1HG2 THR 64 1HG2 THR 64 -8.524 8.890 -5.027 539 2HG2 THR 64 2HG2 THR 64 -9.191 8.573 -3.425 540 3HG2 THR 64 3HG2 THR 64 -8.189 10.000 -3.699 541 H GLU 65 H GLU 65 -4.726 9.094 -1.884 542 HA GLU 65 HA GLU 65 -5.337 11.913 -1.582 543 1HB GLU 65 1HB GLU 65 -3.637 10.297 0.299 544 2HB GLU 65 2HB GLU 65 -4.640 11.695 0.654 545 1HG GLU 65 1HG GLU 65 -6.032 9.295 -0.355 546 2HG GLU 65 2HG GLU 65 -5.338 9.191 1.260 547 H VAL 66 H VAL 66 -2.655 9.826 -2.363 548 HA VAL 66 HA VAL 66 -0.504 11.477 -1.906 549 HB VAL 66 HB VAL 66 -0.881 9.447 -4.083 550 1HG1 VAL 66 1HG1 VAL 66 1.872 9.916 -3.441 551 2HG1 VAL 66 2HG1 VAL 66 1.067 10.005 -5.005 552 3HG1 VAL 66 3HG1 VAL 66 1.125 11.422 -3.962 553 1HG2 VAL 66 1HG2 VAL 66 -0.928 8.691 -1.705 554 2HG2 VAL 66 2HG2 VAL 66 0.389 7.998 -2.649 555 3HG2 VAL 66 3HG2 VAL 66 0.708 9.320 -1.524 556 H TYR 67 H TYR 67 -2.662 11.382 -4.693 557 HA TYR 67 HA TYR 67 -1.250 13.232 -6.282 558 1HB TYR 67 1HB TYR 67 -3.984 12.081 -6.264 559 2HB TYR 67 2HB TYR 67 -3.772 13.591 -7.145 560 HD1 TYR 67 HD1 TYR 67 -2.108 13.688 -9.018 561 HD2 TYR 67 HD2 TYR 67 -3.205 10.028 -7.149 562 HE1 TYR 67 HE1 TYR 67 -1.214 12.443 -10.942 563 HE2 TYR 67 HE2 TYR 67 -2.314 8.773 -9.065 564 HH TYR 67 HH TYR 67 -1.624 8.968 -11.243 565 H ASN 68 H ASN 68 -3.517 13.593 -3.664 566 HA ASN 68 HA ASN 68 -3.782 16.455 -4.106 567 1HB ASN 68 1HB ASN 68 -5.133 14.428 -2.403 568 2HB ASN 68 2HB ASN 68 -5.084 16.078 -1.790 569 1HD2 ASN 68 1HD2 ASN 68 -7.694 15.035 -4.623 570 2HD2 ASN 68 2HD2 ASN 68 -6.681 13.915 -3.785 571 H LEU 69 H LEU 69 -1.880 14.273 -2.202 572 HA LEU 69 HA LEU 69 -1.292 15.901 -0.003 573 1HB LEU 69 1HB LEU 69 0.319 14.373 0.565 574 2HB LEU 69 2HB LEU 69 -0.659 13.410 -0.520 575 HG LEU 69 HG LEU 69 1.064 14.177 -2.335 576 1HD1 LEU 69 1HD1 LEU 69 2.193 15.795 -0.785 577 2HD1 LEU 69 2HD1 LEU 69 2.772 14.411 0.135 578 3HD1 LEU 69 3HD1 LEU 69 3.269 14.625 -1.542 579 1HD2 LEU 69 1HD2 LEU 69 2.539 12.313 -0.734 580 2HD2 LEU 69 2HD2 LEU 69 0.817 11.946 -0.636 581 3HD2 LEU 69 3HD2 LEU 69 1.614 12.027 -2.207 582 H ARG 70 H ARG 70 -0.030 15.915 -3.268 583 HA ARG 70 HA ARG 70 2.164 17.624 -2.694 584 1HB ARG 70 1HB ARG 70 0.849 16.687 -5.209 585 2HB ARG 70 2HB ARG 70 2.031 17.987 -5.275 586 1HG ARG 70 1HG ARG 70 3.702 16.534 -4.254 587 2HG ARG 70 2HG ARG 70 2.517 15.228 -4.165 588 1HD ARG 70 1HD ARG 70 4.095 15.081 -6.101 589 2HD ARG 70 2HD ARG 70 2.388 15.082 -6.539 590 HE ARG 70 HE ARG 70 2.708 17.057 -7.643 591 1HH1 ARG 70 1HH1 ARG 70 6.342 17.836 -6.147 592 2HH1 ARG 70 2HH1 ARG 70 5.427 16.503 -5.526 593 1HH2 ARG 70 1HH2 ARG 70 5.482 19.145 -7.812 594 2HH2 ARG 70 2HH2 ARG 70 3.910 18.809 -8.460 595 H MET 71 H MET 71 -0.956 18.265 -2.461 596 HA MET 71 HA MET 71 -0.605 21.098 -3.162 597 1HB MET 71 1HB MET 71 -3.260 19.669 -3.207 598 2HB MET 71 2HB MET 71 -2.879 21.263 -3.843 599 1HG MET 71 1HG MET 71 -1.564 20.310 -5.605 600 2HG MET 71 2HG MET 71 -1.752 18.695 -4.923 601 1HE MET 71 1HE MET 71 -3.626 19.154 -8.396 602 2HE MET 71 2HE MET 71 -2.018 19.152 -7.670 603 3HE MET 71 3HE MET 71 -3.043 17.721 -7.552 604 H ASN 72 H ASN 72 -2.816 19.018 -1.282 605 HA ASN 72 HA ASN 72 -3.315 21.034 0.669 606 1HB ASN 72 1HB ASN 72 -3.861 18.059 0.700 607 2HB ASN 72 2HB ASN 72 -4.445 19.189 1.916 608 1HD2 ASN 72 1HD2 ASN 72 -6.178 18.981 -1.756 609 2HD2 ASN 72 2HD2 ASN 72 -4.662 18.218 -1.431 610 H LEU 73 H LEU 73 -2.430 21.366 2.649 611 HA LEU 73 HA LEU 73 -0.085 19.719 3.327 612 1HB LEU 73 1HB LEU 73 -0.229 22.447 2.908 613 2HB LEU 73 2HB LEU 73 -0.265 22.312 4.655 614 HG LEU 73 HG LEU 73 1.807 20.667 3.386 615 1HD1 LEU 73 1HD1 LEU 73 2.260 22.309 1.857 616 2HD1 LEU 73 2HD1 LEU 73 1.653 23.600 2.894 617 3HD1 LEU 73 3HD1 LEU 73 3.224 22.870 3.221 618 1HD2 LEU 73 1HD2 LEU 73 1.698 20.934 5.776 619 2HD2 LEU 73 2HD2 LEU 73 3.163 21.709 5.173 620 3HD2 LEU 73 3HD2 LEU 73 1.768 22.690 5.621 621 H GLY 74 H GLY 74 -2.980 21.281 4.581 622 1HA GLY 74 1HA GLY 74 -4.289 20.261 6.298 623 2HA GLY 74 2HA GLY 74 -2.830 19.497 6.911 624 H GLY 75 H GLY 75 -3.211 22.904 6.060 625 1HA GLY 75 1HA GLY 75 -2.628 23.555 8.878 626 2HA GLY 75 2HA GLY 75 -2.191 24.561 7.506 627 H THR 76 H THR 76 -3.560 26.122 6.855 628 HA THR 76 HA THR 76 -5.971 26.513 8.439 629 HB THR 76 HB THR 76 -6.012 28.755 7.463 630 HG1 THR 76 HG1 THR 76 -3.770 27.876 5.968 631 1HG2 THR 76 1HG2 THR 76 -3.170 28.773 7.953 632 2HG2 THR 76 2HG2 THR 76 -4.483 29.516 8.867 633 3HG2 THR 76 3HG2 THR 76 -4.039 27.835 9.167 634 H GLY 77 H GLY 77 -5.569 24.581 6.021 635 1HA GLY 77 1HA GLY 77 -7.136 23.647 4.592 636 2HA GLY 77 2HA GLY 77 -8.234 24.961 4.992 637 H PHE 78 H PHE 78 -7.282 27.186 4.152 638 HA PHE 78 HA PHE 78 -7.116 26.879 1.286 639 1HB PHE 78 1HB PHE 78 -8.002 28.894 3.103 640 2HB PHE 78 2HB PHE 78 -6.777 29.603 2.056 641 HD1 PHE 78 HD1 PHE 78 -7.791 30.850 0.421 642 HD2 PHE 78 HD2 PHE 78 -9.459 27.078 1.466 643 HE1 PHE 78 HE1 PHE 78 -9.463 31.099 -1.369 644 HE2 PHE 78 HE2 PHE 78 -11.132 27.318 -0.322 645 HZ PHE 78 HZ PHE 78 -11.137 29.331 -1.741 646 H GLN 79 H GLN 79 -5.476 27.767 -0.046 647 HA GLN 79 HA GLN 79 -2.926 28.358 1.283 648 1HB GLN 79 1HB GLN 79 -3.170 25.928 0.424 649 2HB GLN 79 2HB GLN 79 -3.021 26.636 -1.178 650 1HG GLN 79 1HG GLN 79 -0.848 26.125 -0.781 651 2HG GLN 79 2HG GLN 79 -0.890 27.758 -0.117 652 1HE2 GLN 79 1HE2 GLN 79 -0.584 26.723 3.248 653 2HE2 GLN 79 2HE2 GLN 79 -1.223 27.948 2.209 Start of MODEL 8 1 1H MET 1 1H MET 1 -13.221 8.214 -3.461 2 2H MET 1 2H MET 1 -12.986 9.730 -4.229 3 3H MET 1 3H MET 1 -12.017 9.289 -2.883 4 HA MET 1 HA MET 1 -13.585 10.804 -2.122 5 1HB MET 1 1HB MET 1 -15.075 10.408 -4.133 6 2HB MET 1 2HB MET 1 -15.713 9.003 -3.287 7 1HG MET 1 1HG MET 1 -15.808 11.272 -1.554 8 2HG MET 1 2HG MET 1 -16.548 11.682 -3.100 9 1HE MET 1 1HE MET 1 -18.580 10.064 0.279 10 2HE MET 1 2HE MET 1 -17.232 11.172 0.036 11 3HE MET 1 3HE MET 1 -18.836 11.594 -0.559 12 H ASP 2 H ASP 2 -14.687 7.410 -2.274 13 HA ASP 2 HA ASP 2 -14.786 7.394 0.664 14 1HB ASP 2 1HB ASP 2 -16.808 6.773 -0.899 15 2HB ASP 2 2HB ASP 2 -15.984 5.222 -1.014 16 H ARG 3 H ARG 3 -12.474 6.849 -1.351 17 HA ARG 3 HA ARG 3 -11.720 4.203 -0.309 18 1HB ARG 3 1HB ARG 3 -10.747 5.692 -2.752 19 2HB ARG 3 2HB ARG 3 -10.074 4.169 -2.189 20 1HG ARG 3 1HG ARG 3 -11.946 2.965 -2.794 21 2HG ARG 3 2HG ARG 3 -12.998 4.381 -2.752 22 1HD ARG 3 1HD ARG 3 -10.896 3.727 -4.807 23 2HD ARG 3 2HD ARG 3 -12.643 3.743 -5.043 24 HE ARG 3 HE ARG 3 -12.387 6.227 -4.443 25 1HH1 ARG 3 1HH1 ARG 3 -9.396 5.739 -7.064 26 2HH1 ARG 3 2HH1 ARG 3 -10.023 4.363 -6.225 27 1HH2 ARG 3 1HH2 ARG 3 -10.265 7.817 -6.684 28 2HH2 ARG 3 2HH2 ARG 3 -11.558 8.027 -5.552 29 H VAL 4 H VAL 4 -11.030 5.144 1.717 30 HA VAL 4 HA VAL 4 -8.335 6.285 1.497 31 HB VAL 4 HB VAL 4 -8.790 7.740 3.468 32 1HG1 VAL 4 1HG1 VAL 4 -8.756 8.724 1.278 33 2HG1 VAL 4 2HG1 VAL 4 -10.423 8.227 0.980 34 3HG1 VAL 4 3HG1 VAL 4 -10.071 9.451 2.202 35 1HG2 VAL 4 1HG2 VAL 4 -11.678 7.067 2.920 36 2HG2 VAL 4 2HG2 VAL 4 -10.749 6.525 4.317 37 3HG2 VAL 4 3HG2 VAL 4 -11.081 8.242 4.090 38 H LEU 5 H LEU 5 -6.892 5.235 2.658 39 HA LEU 5 HA LEU 5 -7.716 3.101 4.432 40 1HB LEU 5 1HB LEU 5 -5.519 2.330 4.317 41 2HB LEU 5 2HB LEU 5 -5.862 2.924 2.727 42 HG LEU 5 HG LEU 5 -4.334 4.531 4.764 43 1HD1 LEU 5 1HD1 LEU 5 -3.280 2.721 2.588 44 2HD1 LEU 5 2HD1 LEU 5 -2.313 3.848 3.540 45 3HD1 LEU 5 3HD1 LEU 5 -3.096 2.481 4.320 46 1HD2 LEU 5 1HD2 LEU 5 -4.828 6.068 3.222 47 2HD2 LEU 5 2HD2 LEU 5 -3.552 5.281 2.291 48 3HD2 LEU 5 3HD2 LEU 5 -5.236 4.856 2.012 49 H SER 6 H SER 6 -7.124 2.865 6.583 50 HA SER 6 HA SER 6 -6.930 5.391 8.015 51 1HB SER 6 1HB SER 6 -7.257 3.796 10.028 52 2HB SER 6 2HB SER 6 -8.607 4.026 8.918 53 HG SER 6 HG SER 6 -6.753 1.913 8.605 54 H ARG 7 H ARG 7 -5.679 5.038 10.252 55 HA ARG 7 HA ARG 7 -2.972 5.210 9.709 56 1HB ARG 7 1HB ARG 7 -4.117 5.991 11.799 57 2HB ARG 7 2HB ARG 7 -4.173 4.318 12.337 58 1HG ARG 7 1HG ARG 7 -1.785 4.198 12.430 59 2HG ARG 7 2HG ARG 7 -1.631 5.790 11.683 60 1HD ARG 7 1HD ARG 7 -1.277 5.905 14.096 61 2HD ARG 7 2HD ARG 7 -2.707 6.814 13.613 62 HE ARG 7 HE ARG 7 -4.064 5.200 14.633 63 1HH1 ARG 7 1HH1 ARG 7 -0.936 3.285 16.244 64 2HH1 ARG 7 2HH1 ARG 7 -0.670 4.428 14.972 65 1HH2 ARG 7 1HH2 ARG 7 -3.047 2.864 16.992 66 2HH2 ARG 7 2HH2 ARG 7 -4.401 3.692 16.297 67 H ALA 8 H ALA 8 -4.914 2.412 10.542 68 HA ALA 8 HA ALA 8 -2.813 0.610 11.040 69 1HB ALA 8 1HB ALA 8 -4.421 -0.985 11.235 70 2HB ALA 8 2HB ALA 8 -5.442 0.446 11.366 71 3HB ALA 8 3HB ALA 8 -5.320 -0.410 9.830 72 H ASP 9 H ASP 9 -4.580 1.409 8.064 73 HA ASP 9 HA ASP 9 -3.255 -0.519 6.458 74 1HB ASP 9 1HB ASP 9 -4.880 1.939 5.868 75 2HB ASP 9 2HB ASP 9 -4.145 1.018 4.581 76 H LYS 10 H LYS 10 -2.857 3.042 6.642 77 HA LYS 10 HA LYS 10 -0.730 3.224 4.873 78 1HB LYS 10 1HB LYS 10 -0.088 5.313 6.178 79 2HB LYS 10 2HB LYS 10 -1.708 5.257 5.508 80 1HG LYS 10 1HG LYS 10 -2.255 6.003 7.552 81 2HG LYS 10 2HG LYS 10 -2.218 4.284 7.937 82 1HD LYS 10 1HD LYS 10 -0.921 5.188 9.626 83 2HD LYS 10 2HD LYS 10 0.291 4.710 8.438 84 1HE LYS 10 1HE LYS 10 0.245 7.038 7.555 85 2HE LYS 10 2HE LYS 10 -0.824 7.473 8.889 86 1HZ LYS 10 1HZ LYS 10 1.962 7.359 8.891 87 2HZ LYS 10 2HZ LYS 10 0.937 7.730 10.185 88 3HZ LYS 10 3HZ LYS 10 1.420 6.131 9.919 89 H GLU 11 H GLU 11 -0.675 2.583 8.348 90 HA GLU 11 HA GLU 11 2.160 2.511 8.566 91 1HB GLU 11 1HB GLU 11 -0.044 1.359 10.280 92 2HB GLU 11 2HB GLU 11 1.658 1.187 10.685 93 1HG GLU 11 1HG GLU 11 0.804 3.932 10.118 94 2HG GLU 11 2HG GLU 11 0.058 3.197 11.535 95 H ARG 12 H ARG 12 -0.281 0.261 7.567 96 HA ARG 12 HA ARG 12 1.290 -2.111 7.764 97 1HB ARG 12 1HB ARG 12 -1.225 -2.007 7.700 98 2HB ARG 12 2HB ARG 12 -1.106 -1.606 5.994 99 1HG ARG 12 1HG ARG 12 -0.808 -3.730 5.417 100 2HG ARG 12 2HG ARG 12 0.408 -3.978 6.669 101 1HD ARG 12 1HD ARG 12 -1.536 -4.067 8.309 102 2HD ARG 12 2HD ARG 12 -2.577 -4.211 6.895 103 HE ARG 12 HE ARG 12 -1.096 -6.221 6.362 104 1HH1 ARG 12 1HH1 ARG 12 -1.718 -6.792 10.279 105 2HH1 ARG 12 2HH1 ARG 12 -1.883 -5.202 9.616 106 1HH2 ARG 12 1HH2 ARG 12 -1.158 -8.547 8.939 107 2HH2 ARG 12 2HH2 ARG 12 -0.889 -8.303 7.245 108 H LEU 13 H LEU 13 0.384 0.042 5.086 109 HA LEU 13 HA LEU 13 1.712 -1.298 3.024 110 1HB LEU 13 1HB LEU 13 0.141 0.410 2.501 111 2HB LEU 13 2HB LEU 13 1.000 1.595 3.458 112 HG LEU 13 HG LEU 13 2.894 0.967 1.607 113 1HD1 LEU 13 1HD1 LEU 13 2.047 0.004 -0.198 114 2HD1 LEU 13 2HD1 LEU 13 0.461 -0.070 0.567 115 3HD1 LEU 13 3HD1 LEU 13 0.916 1.343 -0.384 116 1HD2 LEU 13 1HD2 LEU 13 0.780 3.029 1.082 117 2HD2 LEU 13 2HD2 LEU 13 1.922 3.181 2.419 118 3HD2 LEU 13 3HD2 LEU 13 2.513 3.114 0.758 119 H LEU 14 H LEU 14 2.844 0.910 5.469 120 HA LEU 14 HA LEU 14 5.355 1.528 4.344 121 1HB LEU 14 1HB LEU 14 4.146 1.664 7.067 122 2HB LEU 14 2HB LEU 14 5.875 1.902 6.897 123 HG LEU 14 HG LEU 14 3.680 3.564 5.664 124 1HD1 LEU 14 1HD1 LEU 14 4.211 3.924 8.067 125 2HD1 LEU 14 2HD1 LEU 14 5.861 4.317 7.593 126 3HD1 LEU 14 3HD1 LEU 14 4.523 5.326 7.045 127 1HD2 LEU 14 1HD2 LEU 14 6.115 4.829 5.237 128 2HD2 LEU 14 2HD2 LEU 14 6.413 3.145 4.808 129 3HD2 LEU 14 3HD2 LEU 14 5.108 4.036 4.025 130 H GLU 15 H GLU 15 4.295 -1.011 6.575 131 HA GLU 15 HA GLU 15 6.802 -2.079 7.195 132 1HB GLU 15 1HB GLU 15 4.006 -2.968 7.348 133 2HB GLU 15 2HB GLU 15 5.166 -4.280 7.189 134 1HG GLU 15 1HG GLU 15 6.406 -3.297 9.127 135 2HG GLU 15 2HG GLU 15 5.057 -2.182 9.337 136 H LEU 16 H LEU 16 4.653 -2.629 4.471 137 HA LEU 16 HA LEU 16 6.302 -4.713 3.349 138 1HB LEU 16 1HB LEU 16 3.801 -3.295 2.524 139 2HB LEU 16 2HB LEU 16 4.692 -4.232 1.342 140 HG LEU 16 HG LEU 16 4.491 -6.201 2.931 141 1HD1 LEU 16 1HD1 LEU 16 2.190 -4.755 4.159 142 2HD1 LEU 16 2HD1 LEU 16 3.086 -6.155 4.748 143 3HD1 LEU 16 3HD1 LEU 16 3.807 -4.549 4.830 144 1HD2 LEU 16 1HD2 LEU 16 2.973 -6.741 1.403 145 2HD2 LEU 16 2HD2 LEU 16 1.753 -5.942 2.393 146 3HD2 LEU 16 3HD2 LEU 16 2.583 -5.046 1.121 147 H LEU 17 H LEU 17 6.231 -1.298 3.274 148 HA LEU 17 HA LEU 17 7.593 -1.086 0.720 149 1HB LEU 17 1HB LEU 17 6.330 0.792 2.620 150 2HB LEU 17 2HB LEU 17 7.674 1.413 1.686 151 HG LEU 17 HG LEU 17 5.260 1.738 0.811 152 1HD1 LEU 17 1HD1 LEU 17 6.110 2.072 -1.285 153 2HD1 LEU 17 2HD1 LEU 17 7.596 1.999 -0.337 154 3HD1 LEU 17 3HD1 LEU 17 7.065 0.589 -1.253 155 1HD2 LEU 17 1HD2 LEU 17 5.429 -0.637 -0.812 156 2HD2 LEU 17 2HD2 LEU 17 5.277 -1.053 0.894 157 3HD2 LEU 17 3HD2 LEU 17 4.076 -0.014 0.133 158 H LYS 18 H LYS 18 8.550 -1.739 3.849 159 HA LYS 18 HA LYS 18 10.554 -1.626 4.942 160 1HB LYS 18 1HB LYS 18 11.158 -1.987 2.117 161 2HB LYS 18 2HB LYS 18 12.442 -1.141 2.964 162 1HG LYS 18 1HG LYS 18 13.002 -3.416 3.087 163 2HG LYS 18 2HG LYS 18 12.353 -3.009 4.677 164 1HD LYS 18 1HD LYS 18 10.377 -4.165 4.307 165 2HD LYS 18 2HD LYS 18 10.545 -4.091 2.551 166 1HE LYS 18 1HE LYS 18 11.075 -6.292 2.956 167 2HE LYS 18 2HE LYS 18 12.671 -5.547 2.993 168 1HZ LYS 18 1HZ LYS 18 12.504 -5.452 5.419 169 2HZ LYS 18 2HZ LYS 18 11.004 -6.233 5.352 170 3HZ LYS 18 3HZ LYS 18 12.401 -7.042 4.847 171 H LEU 19 H LEU 19 9.023 0.821 4.080 172 HA LEU 19 HA LEU 19 11.121 2.851 4.328 173 1HB LEU 19 1HB LEU 19 9.679 2.904 2.303 174 2HB LEU 19 2HB LEU 19 8.279 3.104 3.335 175 HG LEU 19 HG LEU 19 10.347 5.126 3.788 176 1HD1 LEU 19 1HD1 LEU 19 10.837 5.210 1.548 177 2HD1 LEU 19 2HD1 LEU 19 9.240 4.642 1.064 178 3HD1 LEU 19 3HD1 LEU 19 9.452 6.302 1.620 179 1HD2 LEU 19 1HD2 LEU 19 8.117 6.464 3.212 180 2HD2 LEU 19 2HD2 LEU 19 7.403 4.892 3.559 181 3HD2 LEU 19 3HD2 LEU 19 8.384 5.702 4.781 182 HA PRO 20 HA PRO 20 9.754 2.968 8.634 183 1HB PRO 20 1HB PRO 20 11.143 5.598 8.329 184 2HB PRO 20 2HB PRO 20 11.260 4.410 9.632 185 1HG PRO 20 1HG PRO 20 13.168 4.583 7.789 186 2HG PRO 20 2HG PRO 20 12.642 3.006 8.405 187 1HD PRO 20 1HD PRO 20 12.097 4.295 5.784 188 2HD PRO 20 2HD PRO 20 12.251 2.573 6.187 189 H ARG 21 H ARG 21 8.578 4.478 10.010 190 HA ARG 21 HA ARG 21 6.468 5.810 8.517 191 1HB ARG 21 1HB ARG 21 6.698 5.324 11.491 192 2HB ARG 21 2HB ARG 21 5.261 5.852 10.629 193 1HG ARG 21 1HG ARG 21 4.667 3.730 10.441 194 2HG ARG 21 2HG ARG 21 6.046 3.486 9.370 195 1HD ARG 21 1HD ARG 21 7.055 2.209 10.883 196 2HD ARG 21 2HD ARG 21 6.922 3.474 12.102 197 HE ARG 21 HE ARG 21 5.122 2.377 13.002 198 1HH1 ARG 21 1HH1 ARG 21 4.662 -0.251 10.012 199 2HH1 ARG 21 2HH1 ARG 21 5.768 1.069 9.829 200 1HH2 ARG 21 1HH2 ARG 21 3.467 -0.494 11.947 201 2HH2 ARG 21 2HH2 ARG 21 3.667 0.638 13.242 202 H GLN 22 H GLN 22 9.385 6.735 9.727 203 HA GLN 22 HA GLN 22 8.602 9.255 10.894 204 1HB GLN 22 1HB GLN 22 10.692 7.746 11.387 205 2HB GLN 22 2HB GLN 22 11.399 8.632 10.042 206 1HG GLN 22 1HG GLN 22 11.477 10.597 11.190 207 2HG GLN 22 2HG GLN 22 10.091 10.191 12.201 208 1HE2 GLN 22 1HE2 GLN 22 13.644 8.422 13.215 209 2HE2 GLN 22 2HE2 GLN 22 13.151 8.515 11.562 210 H LEU 23 H LEU 23 9.651 8.084 7.795 211 HA LEU 23 HA LEU 23 9.783 10.835 6.795 212 1HB LEU 23 1HB LEU 23 11.098 10.073 4.983 213 2HB LEU 23 2HB LEU 23 11.757 9.355 6.436 214 HG LEU 23 HG LEU 23 11.855 7.709 4.725 215 1HD1 LEU 23 1HD1 LEU 23 10.647 5.888 5.625 216 2HD1 LEU 23 2HD1 LEU 23 11.012 6.962 6.980 217 3HD1 LEU 23 3HD1 LEU 23 9.397 6.952 6.273 218 1HD2 LEU 23 1HD2 LEU 23 9.999 8.929 3.407 219 2HD2 LEU 23 2HD2 LEU 23 10.209 7.188 3.217 220 3HD2 LEU 23 3HD2 LEU 23 8.923 7.815 4.249 221 H TRP 24 H TRP 24 7.398 8.929 7.291 222 HA TRP 24 HA TRP 24 6.148 8.208 4.930 223 1HB TRP 24 1HB TRP 24 5.236 7.532 7.037 224 2HB TRP 24 2HB TRP 24 5.029 9.198 7.556 225 HD1 TRP 24 HD1 TRP 24 2.804 10.415 6.874 226 HE1 TRP 24 HE1 TRP 24 0.620 9.617 5.774 227 HE3 TRP 24 HE3 TRP 24 4.365 5.859 5.173 228 HZ2 TRP 24 HZ2 TRP 24 -0.323 7.349 4.378 229 HZ3 TRP 24 HZ3 TRP 24 2.765 4.436 3.957 230 HH2 TRP 24 HH2 TRP 24 0.471 5.171 3.566 231 H GLY 25 H GLY 25 6.271 9.621 3.225 232 1HA GLY 25 1HA GLY 25 4.384 11.461 2.684 233 2HA GLY 25 2HA GLY 25 5.563 12.411 3.571 234 H ASP 26 H ASP 26 7.760 10.692 2.413 235 HA ASP 26 HA ASP 26 8.263 12.335 0.123 236 1HB ASP 26 1HB ASP 26 9.966 11.361 1.818 237 2HB ASP 26 2HB ASP 26 9.871 9.897 0.841 238 H PHE 27 H PHE 27 6.719 11.873 -1.439 239 HA PHE 27 HA PHE 27 5.820 9.410 -2.285 240 1HB PHE 27 1HB PHE 27 4.934 11.625 -3.033 241 2HB PHE 27 2HB PHE 27 6.323 11.764 -4.108 242 HD1 PHE 27 HD1 PHE 27 3.862 9.081 -3.276 243 HD2 PHE 27 HD2 PHE 27 5.797 11.362 -6.301 244 HE1 PHE 27 HE1 PHE 27 2.638 7.823 -5.001 245 HE2 PHE 27 HE2 PHE 27 4.576 10.109 -8.032 246 HZ PHE 27 HZ PHE 27 2.994 8.338 -7.383 247 H GLY 28 H GLY 28 8.822 11.028 -3.080 248 1HA GLY 28 1HA GLY 28 9.540 9.385 -5.267 249 2HA GLY 28 2HA GLY 28 10.641 10.361 -4.312 250 H ARG 29 H ARG 29 10.065 9.064 -1.796 251 HA ARG 29 HA ARG 29 11.844 6.827 -2.100 252 1HB ARG 29 1HB ARG 29 10.510 8.088 0.288 253 2HB ARG 29 2HB ARG 29 11.514 6.651 0.417 254 1HG ARG 29 1HG ARG 29 13.324 8.024 -0.745 255 2HG ARG 29 2HG ARG 29 12.316 9.425 -0.375 256 1HD ARG 29 1HD ARG 29 13.072 9.463 1.713 257 2HD ARG 29 2HD ARG 29 12.565 7.793 1.961 258 HE ARG 29 HE ARG 29 15.023 7.990 0.516 259 1HH1 ARG 29 1HH1 ARG 29 15.077 7.526 4.493 260 2HH1 ARG 29 2HH1 ARG 29 13.622 8.045 3.711 261 1HH2 ARG 29 1HH2 ARG 29 16.960 7.108 3.262 262 2HH2 ARG 29 2HH2 ARG 29 16.937 7.307 1.541 263 H MET 30 H MET 30 8.461 7.229 -1.059 264 HA MET 30 HA MET 30 7.978 4.538 -0.455 265 1HB MET 30 1HB MET 30 5.554 5.116 -0.857 266 2HB MET 30 2HB MET 30 6.394 6.132 0.306 267 1HG MET 30 1HG MET 30 6.659 7.861 -1.385 268 2HG MET 30 2HG MET 30 5.846 6.840 -2.567 269 1HE MET 30 1HE MET 30 5.681 8.643 0.746 270 2HE MET 30 2HE MET 30 3.969 8.951 1.037 271 3HE MET 30 3HE MET 30 4.638 7.346 1.331 272 H GLN 31 H GLN 31 7.455 6.310 -3.506 273 HA GLN 31 HA GLN 31 6.406 4.089 -4.902 274 1HB GLN 31 1HB GLN 31 6.477 6.665 -5.505 275 2HB GLN 31 2HB GLN 31 7.946 6.200 -6.355 276 1HG GLN 31 1HG GLN 31 6.649 4.510 -7.601 277 2HG GLN 31 2HG GLN 31 5.187 5.082 -6.802 278 1HE2 GLN 31 1HE2 GLN 31 4.954 6.868 -9.864 279 2HE2 GLN 31 2HE2 GLN 31 4.570 5.362 -9.107 280 H GLN 32 H GLN 32 9.680 5.235 -4.338 281 HA GLN 32 HA GLN 32 10.969 3.551 -6.215 282 1HB GLN 32 1HB GLN 32 11.783 5.555 -4.522 283 2HB GLN 32 2HB GLN 32 12.481 4.134 -3.763 284 1HG GLN 32 1HG GLN 32 14.128 4.961 -5.210 285 2HG GLN 32 2HG GLN 32 13.441 3.556 -6.026 286 1HE2 GLN 32 1HE2 GLN 32 12.996 7.298 -7.562 287 2HE2 GLN 32 2HE2 GLN 32 13.556 7.050 -5.947 288 H ALA 33 H ALA 33 10.112 3.188 -2.812 289 HA ALA 33 HA ALA 33 11.321 0.617 -2.512 290 1HB ALA 33 1HB ALA 33 11.108 1.475 -0.438 291 2HB ALA 33 2HB ALA 33 9.682 2.422 -0.860 292 3HB ALA 33 3HB ALA 33 9.524 0.703 -0.498 293 H TYR 34 H TYR 34 8.045 1.784 -3.160 294 HA TYR 34 HA TYR 34 6.588 -0.532 -2.952 295 1HB TYR 34 1HB TYR 34 5.545 1.619 -3.427 296 2HB TYR 34 2HB TYR 34 6.295 1.657 -5.021 297 HD1 TYR 34 HD1 TYR 34 3.395 0.735 -3.178 298 HD2 TYR 34 HD2 TYR 34 5.691 -0.286 -6.621 299 HE1 TYR 34 HE1 TYR 34 1.462 -0.456 -4.127 300 HE2 TYR 34 HE2 TYR 34 3.755 -1.465 -7.572 301 HH TYR 34 HH TYR 34 0.907 -2.107 -5.732 302 H LYS 35 H LYS 35 8.529 0.569 -5.705 303 HA LYS 35 HA LYS 35 7.877 -1.694 -7.333 304 1HB LYS 35 1HB LYS 35 9.467 0.743 -7.584 305 2HB LYS 35 2HB LYS 35 10.220 -0.642 -8.365 306 1HG LYS 35 1HG LYS 35 8.764 -0.612 -10.044 307 2HG LYS 35 2HG LYS 35 7.385 -0.454 -8.955 308 1HD LYS 35 1HD LYS 35 7.548 1.471 -10.449 309 2HD LYS 35 2HD LYS 35 7.807 1.951 -8.771 310 1HE LYS 35 1HE LYS 35 9.813 2.771 -9.265 311 2HE LYS 35 2HE LYS 35 10.310 1.234 -9.973 312 1HZ LYS 35 1HZ LYS 35 10.366 2.343 -11.887 313 2HZ LYS 35 2HZ LYS 35 8.676 2.312 -11.860 314 3HZ LYS 35 3HZ LYS 35 9.505 3.662 -11.266 315 H GLN 36 H GLN 36 10.496 -0.837 -5.150 316 HA GLN 36 HA GLN 36 12.240 -2.954 -5.840 317 1HB GLN 36 1HB GLN 36 12.771 -0.845 -4.492 318 2HB GLN 36 2HB GLN 36 12.062 -1.678 -3.115 319 1HG GLN 36 1HG GLN 36 13.852 -3.510 -4.163 320 2HG GLN 36 2HG GLN 36 14.680 -1.961 -4.308 321 1HE2 GLN 36 1HE2 GLN 36 15.790 -2.520 -1.058 322 2HE2 GLN 36 2HE2 GLN 36 16.185 -2.423 -2.737 323 H GLN 37 H GLN 37 9.556 -2.675 -3.600 324 HA GLN 37 HA GLN 37 10.027 -5.331 -2.517 325 1HB GLN 37 1HB GLN 37 7.808 -3.353 -1.971 326 2HB GLN 37 2HB GLN 37 8.090 -4.846 -1.086 327 1HG GLN 37 1HG GLN 37 10.057 -2.578 -1.262 328 2HG GLN 37 2HG GLN 37 8.920 -2.809 0.062 329 1HE2 GLN 37 1HE2 GLN 37 10.600 -5.925 1.033 330 2HE2 GLN 37 2HE2 GLN 37 9.013 -5.443 0.551 331 H SER 38 H SER 38 8.194 -3.838 -5.007 332 HA SER 38 HA SER 38 6.086 -5.737 -5.170 333 1HB SER 38 1HB SER 38 7.091 -3.488 -6.803 334 2HB SER 38 2HB SER 38 6.251 -4.753 -7.701 335 HG SER 38 HG SER 38 5.250 -2.864 -6.024 336 H LEU 39 H LEU 39 9.333 -5.557 -6.431 337 HA LEU 39 HA LEU 39 9.069 -7.634 -8.358 338 1HB LEU 39 1HB LEU 39 11.232 -6.000 -7.227 339 2HB LEU 39 2HB LEU 39 11.729 -7.612 -7.706 340 HG LEU 39 HG LEU 39 10.289 -5.701 -9.542 341 1HD1 LEU 39 1HD1 LEU 39 12.393 -4.702 -8.976 342 2HD1 LEU 39 2HD1 LEU 39 13.237 -6.231 -9.225 343 3HD1 LEU 39 3HD1 LEU 39 12.513 -5.389 -10.595 344 1HD2 LEU 39 1HD2 LEU 39 11.966 -8.053 -10.330 345 2HD2 LEU 39 2HD2 LEU 39 10.268 -8.256 -9.894 346 3HD2 LEU 39 3HD2 LEU 39 10.713 -7.218 -11.248 347 H LEU 40 H LEU 40 10.092 -7.529 -4.977 348 HA LEU 40 HA LEU 40 10.694 -10.361 -4.951 349 1HB LEU 40 1HB LEU 40 11.272 -10.038 -2.621 350 2HB LEU 40 2HB LEU 40 12.038 -8.817 -3.618 351 HG LEU 40 HG LEU 40 9.848 -7.448 -2.894 352 1HD1 LEU 40 1HD1 LEU 40 9.247 -7.888 -0.615 353 2HD1 LEU 40 2HD1 LEU 40 9.012 -9.367 -1.548 354 3HD1 LEU 40 3HD1 LEU 40 10.426 -9.194 -0.509 355 1HD2 LEU 40 1HD2 LEU 40 11.801 -6.356 -2.482 356 2HD2 LEU 40 2HD2 LEU 40 11.375 -6.793 -0.827 357 3HD2 LEU 40 3HD2 LEU 40 12.553 -7.758 -1.717 358 H LEU 41 H LEU 41 7.913 -8.477 -4.624 359 HA LEU 41 HA LEU 41 6.570 -10.362 -2.850 360 1HB LEU 41 1HB LEU 41 5.791 -7.714 -4.041 361 2HB LEU 41 2HB LEU 41 4.616 -8.744 -3.246 362 HG LEU 41 HG LEU 41 7.126 -7.888 -1.838 363 1HD1 LEU 41 1HD1 LEU 41 5.529 -5.999 -2.811 364 2HD1 LEU 41 2HD1 LEU 41 4.607 -6.404 -1.363 365 3HD1 LEU 41 3HD1 LEU 41 6.283 -5.873 -1.222 366 1HD2 LEU 41 1HD2 LEU 41 5.115 -8.059 -0.015 367 2HD2 LEU 41 2HD2 LEU 41 4.651 -9.307 -1.172 368 3HD2 LEU 41 3HD2 LEU 41 6.237 -9.365 -0.402 369 H HIS 42 H HIS 42 7.226 -10.179 -6.087 370 HA HIS 42 HA HIS 42 4.679 -11.076 -7.090 371 1HB HIS 42 1HB HIS 42 6.384 -9.676 -8.369 372 2HB HIS 42 2HB HIS 42 7.325 -11.154 -8.528 373 HD1 HIS 42 HD1 HIS 42 7.030 -12.053 -10.793 374 HD2 HIS 42 HD2 HIS 42 3.493 -10.450 -9.316 375 HE1 HIS 42 HE1 HIS 42 5.314 -12.451 -12.585 376 HE2 HIS 42 HE2 HIS 42 3.210 -11.371 -11.718 377 HA PRO 43 HA PRO 43 5.027 -15.375 -6.023 378 1HB PRO 43 1HB PRO 43 3.796 -15.657 -8.732 379 2HB PRO 43 2HB PRO 43 3.340 -16.422 -7.207 380 1HG PRO 43 1HG PRO 43 1.959 -14.356 -8.175 381 2HG PRO 43 2HG PRO 43 2.243 -14.537 -6.433 382 1HD PRO 43 1HD PRO 43 3.460 -12.636 -8.360 383 2HD PRO 43 2HD PRO 43 3.187 -12.460 -6.620 384 H ASP 44 H ASP 44 6.126 -14.125 -9.132 385 HA ASP 44 HA ASP 44 7.530 -16.496 -9.879 386 1HB ASP 44 1HB ASP 44 6.838 -14.063 -11.116 387 2HB ASP 44 2HB ASP 44 8.597 -14.152 -11.160 388 H LYS 45 H LYS 45 8.222 -14.107 -7.598 389 HA LYS 45 HA LYS 45 11.085 -14.792 -7.702 390 1HB LYS 45 1HB LYS 45 9.714 -12.212 -7.029 391 2HB LYS 45 2HB LYS 45 11.306 -12.569 -6.374 392 1HG LYS 45 1HG LYS 45 11.703 -11.310 -8.306 393 2HG LYS 45 2HG LYS 45 12.039 -12.978 -8.769 394 1HD LYS 45 1HD LYS 45 10.692 -12.553 -10.514 395 2HD LYS 45 2HD LYS 45 9.379 -12.758 -9.354 396 1HE LYS 45 1HE LYS 45 8.943 -10.532 -9.243 397 2HE LYS 45 2HE LYS 45 10.624 -10.080 -9.511 398 1HZ LYS 45 1HZ LYS 45 9.883 -11.225 -11.863 399 2HZ LYS 45 2HZ LYS 45 8.493 -10.381 -11.403 400 3HZ LYS 45 3HZ LYS 45 9.965 -9.564 -11.559 401 H GLY 46 H GLY 46 8.964 -16.247 -6.353 402 1HA GLY 46 1HA GLY 46 8.701 -17.349 -4.355 403 2HA GLY 46 2HA GLY 46 10.233 -16.646 -3.856 404 H GLY 47 H GLY 47 6.960 -15.399 -4.555 405 1HA GLY 47 1HA GLY 47 6.988 -14.168 -1.876 406 2HA GLY 47 2HA GLY 47 6.543 -13.221 -3.287 407 H SER 48 H SER 48 4.744 -13.250 -1.348 408 HA SER 48 HA SER 48 2.837 -15.400 -1.796 409 1HB SER 48 1HB SER 48 3.234 -13.302 0.245 410 2HB SER 48 2HB SER 48 1.550 -13.683 -0.123 411 HG SER 48 HG SER 48 2.270 -15.958 0.168 412 H HIS 49 H HIS 49 0.695 -15.060 -2.503 413 HA HIS 49 HA HIS 49 0.470 -13.011 -4.527 414 1HB HIS 49 1HB HIS 49 -0.286 -15.352 -4.918 415 2HB HIS 49 2HB HIS 49 -1.543 -15.117 -3.710 416 HD1 HIS 49 HD1 HIS 49 -0.472 -13.045 -6.728 417 HD2 HIS 49 HD2 HIS 49 -3.863 -14.747 -5.029 418 HE1 HIS 49 HE1 HIS 49 -2.380 -12.385 -8.228 419 HE2 HIS 49 HE2 HIS 49 -4.422 -13.428 -7.182 420 H ALA 50 H ALA 50 -0.709 -13.594 -1.313 421 HA ALA 50 HA ALA 50 -2.878 -11.722 -1.448 422 1HB ALA 50 1HB ALA 50 -2.257 -13.764 0.234 423 2HB ALA 50 2HB ALA 50 -1.816 -12.361 1.209 424 3HB ALA 50 3HB ALA 50 -3.454 -12.512 0.570 425 H LEU 51 H LEU 51 0.514 -11.554 -0.709 426 HA LEU 51 HA LEU 51 0.373 -9.041 0.667 427 1HB LEU 51 1HB LEU 51 2.485 -10.913 -0.184 428 2HB LEU 51 2HB LEU 51 2.963 -9.226 -0.131 429 HG LEU 51 HG LEU 51 1.641 -9.613 2.284 430 1HD1 LEU 51 1HD1 LEU 51 2.694 -11.568 3.273 431 2HD1 LEU 51 2HD1 LEU 51 1.675 -12.032 1.912 432 3HD1 LEU 51 3HD1 LEU 51 3.428 -11.976 1.724 433 1HD2 LEU 51 1HD2 LEU 51 4.593 -9.958 2.129 434 2HD2 LEU 51 2HD2 LEU 51 3.886 -8.460 1.525 435 3HD2 LEU 51 3HD2 LEU 51 3.627 -8.943 3.200 436 H MET 52 H MET 52 1.428 -10.063 -2.571 437 HA MET 52 HA MET 52 2.121 -7.547 -3.558 438 1HB MET 52 1HB MET 52 2.344 -9.984 -4.566 439 2HB MET 52 2HB MET 52 0.848 -9.543 -5.377 440 1HG MET 52 1HG MET 52 3.380 -7.926 -5.504 441 2HG MET 52 2HG MET 52 2.903 -9.125 -6.705 442 1HE MET 52 1HE MET 52 3.365 -5.891 -5.945 443 2HE MET 52 2HE MET 52 2.396 -4.948 -7.078 444 3HE MET 52 3HE MET 52 1.801 -5.246 -5.445 445 H GLN 53 H GLN 53 -0.986 -9.263 -3.708 446 HA GLN 53 HA GLN 53 -2.360 -7.274 -5.164 447 1HB GLN 53 1HB GLN 53 -4.396 -8.422 -4.459 448 2HB GLN 53 2HB GLN 53 -3.174 -9.582 -4.961 449 1HG GLN 53 1HG GLN 53 -4.003 -10.556 -3.057 450 2HG GLN 53 2HG GLN 53 -2.598 -9.688 -2.437 451 1HE2 GLN 53 1HE2 GLN 53 -6.292 -8.064 -1.714 452 2HE2 GLN 53 2HE2 GLN 53 -5.954 -8.826 -3.227 453 H GLU 54 H GLU 54 -1.736 -7.722 -1.749 454 HA GLU 54 HA GLU 54 -3.595 -5.793 -0.801 455 1HB GLU 54 1HB GLU 54 -2.561 -7.602 0.588 456 2HB GLU 54 2HB GLU 54 -1.043 -6.718 0.528 457 1HG GLU 54 1HG GLU 54 -1.668 -5.332 2.146 458 2HG GLU 54 2HG GLU 54 -3.246 -5.054 1.412 459 H LEU 55 H LEU 55 -0.250 -5.675 -1.844 460 HA LEU 55 HA LEU 55 0.457 -3.143 -0.927 461 1HB LEU 55 1HB LEU 55 1.861 -4.999 -2.021 462 2HB LEU 55 2HB LEU 55 1.369 -4.291 -3.545 463 HG LEU 55 HG LEU 55 2.485 -2.220 -3.010 464 1HD1 LEU 55 1HD1 LEU 55 2.925 -1.562 -0.937 465 2HD1 LEU 55 2HD1 LEU 55 2.189 -3.050 -0.343 466 3HD1 LEU 55 3HD1 LEU 55 3.922 -2.986 -0.651 467 1HD2 LEU 55 1HD2 LEU 55 4.148 -3.347 -3.990 468 2HD2 LEU 55 2HD2 LEU 55 4.820 -3.491 -2.365 469 3HD2 LEU 55 3HD2 LEU 55 3.845 -4.800 -3.037 470 H ASN 56 H ASN 56 -0.876 -4.084 -4.095 471 HA ASN 56 HA ASN 56 -1.000 -1.497 -5.169 472 1HB ASN 56 1HB ASN 56 -2.239 -4.123 -5.812 473 2HB ASN 56 2HB ASN 56 -2.980 -2.690 -6.519 474 1HD2 ASN 56 1HD2 ASN 56 0.746 -3.889 -7.674 475 2HD2 ASN 56 2HD2 ASN 56 0.056 -4.441 -6.189 476 H SER 57 H SER 57 -3.261 -3.298 -3.169 477 HA SER 57 HA SER 57 -5.414 -1.444 -3.459 478 1HB SER 57 1HB SER 57 -6.580 -2.780 -1.919 479 2HB SER 57 2HB SER 57 -5.514 -3.923 -2.735 480 HG SER 57 HG SER 57 -5.130 -4.369 -0.670 481 H LEU 58 H LEU 58 -2.801 -1.882 -1.144 482 HA LEU 58 HA LEU 58 -3.777 0.173 0.627 483 1HB LEU 58 1HB LEU 58 -1.424 -1.647 0.549 484 2HB LEU 58 2HB LEU 58 -1.292 -0.181 1.499 485 HG LEU 58 HG LEU 58 -3.475 -2.229 1.868 486 1HD1 LEU 58 1HD1 LEU 58 -1.582 -3.388 2.528 487 2HD1 LEU 58 2HD1 LEU 58 -0.777 -1.939 3.125 488 3HD1 LEU 58 3HD1 LEU 58 -2.119 -2.637 4.030 489 1HD2 LEU 58 1HD2 LEU 58 -2.741 0.334 3.208 490 2HD2 LEU 58 2HD2 LEU 58 -4.329 -0.302 2.786 491 3HD2 LEU 58 3HD2 LEU 58 -3.454 -0.963 4.165 492 H TRP 59 H TRP 59 -1.631 -0.019 -2.096 493 HA TRP 59 HA TRP 59 -0.466 2.590 -1.571 494 1HB TRP 59 1HB TRP 59 1.045 0.953 -2.437 495 2HB TRP 59 2HB TRP 59 -0.071 0.514 -3.722 496 HD1 TRP 59 HD1 TRP 59 0.343 1.610 -5.996 497 HE1 TRP 59 HE1 TRP 59 1.810 3.533 -6.868 498 HE3 TRP 59 HE3 TRP 59 2.054 3.432 -1.531 499 HZ2 TRP 59 HZ2 TRP 59 3.478 5.544 -5.813 500 HZ3 TRP 59 HZ3 TRP 59 3.591 5.343 -1.558 501 HH2 TRP 59 HH2 TRP 59 4.287 6.382 -3.654 502 H GLY 60 H GLY 60 -2.974 1.087 -3.433 503 1HA GLY 60 1HA GLY 60 -3.314 3.127 -5.377 504 2HA GLY 60 2HA GLY 60 -4.503 1.913 -4.939 505 H THR 61 H THR 61 -5.511 2.317 -2.682 506 HA THR 61 HA THR 61 -7.016 4.639 -2.728 507 HB THR 61 HB THR 61 -7.002 2.428 -1.176 508 HG1 THR 61 HG1 THR 61 -8.651 3.484 0.030 509 1HG2 THR 61 1HG2 THR 61 -5.316 2.935 0.353 510 2HG2 THR 61 2HG2 THR 61 -5.940 4.571 0.590 511 3HG2 THR 61 3HG2 THR 61 -6.855 3.186 1.180 512 H PHE 62 H PHE 62 -4.141 3.854 -0.913 513 HA PHE 62 HA PHE 62 -3.556 6.150 0.472 514 1HB PHE 62 1HB PHE 62 -2.178 4.146 0.572 515 2HB PHE 62 2HB PHE 62 -1.727 4.343 -1.122 516 HD1 PHE 62 HD1 PHE 62 -1.865 7.215 1.145 517 HD2 PHE 62 HD2 PHE 62 0.620 4.244 -0.633 518 HE1 PHE 62 HE1 PHE 62 0.131 8.483 1.826 519 HE2 PHE 62 HE2 PHE 62 2.614 5.507 0.051 520 HZ PHE 62 HZ PHE 62 2.375 7.621 1.277 521 H LYS 63 H LYS 63 -2.699 5.339 -2.833 522 HA LYS 63 HA LYS 63 -1.427 7.683 -3.605 523 1HB LYS 63 1HB LYS 63 -2.376 5.271 -4.794 524 2HB LYS 63 2HB LYS 63 -2.894 6.597 -5.798 525 1HG LYS 63 1HG LYS 63 -0.541 7.395 -5.870 526 2HG LYS 63 2HG LYS 63 -0.079 5.938 -4.987 527 1HD LYS 63 1HD LYS 63 -1.421 6.031 -7.689 528 2HD LYS 63 2HD LYS 63 0.273 5.653 -7.385 529 1HE LYS 63 1HE LYS 63 -0.237 3.515 -7.055 530 2HE LYS 63 2HE LYS 63 -1.362 3.941 -5.768 531 1HZ LYS 63 1HZ LYS 63 -2.904 3.129 -7.148 532 2HZ LYS 63 2HZ LYS 63 -2.721 4.554 -8.040 533 3HZ LYS 63 3HZ LYS 63 -1.874 3.161 -8.489 534 H THR 64 H THR 64 -4.861 6.873 -3.487 535 HA THR 64 HA THR 64 -5.974 8.883 -5.002 536 HB THR 64 HB THR 64 -7.025 8.070 -2.289 537 HG1 THR 64 HG1 THR 64 -7.058 6.697 -4.751 538 1HG2 THR 64 1HG2 THR 64 -8.151 9.911 -3.689 539 2HG2 THR 64 2HG2 THR 64 -8.669 8.582 -4.725 540 3HG2 THR 64 3HG2 THR 64 -9.141 8.612 -3.026 541 H GLU 65 H GLU 65 -4.660 9.019 -1.758 542 HA GLU 65 HA GLU 65 -5.254 11.839 -1.457 543 1HB GLU 65 1HB GLU 65 -3.451 10.254 0.352 544 2HB GLU 65 2HB GLU 65 -4.456 11.642 0.744 545 1HG GLU 65 1HG GLU 65 -5.940 9.296 -0.191 546 2HG GLU 65 2HG GLU 65 -5.059 9.059 1.317 547 H VAL 66 H VAL 66 -2.605 9.744 -2.326 548 HA VAL 66 HA VAL 66 -0.444 11.419 -2.000 549 HB VAL 66 HB VAL 66 -0.906 9.324 -4.098 550 1HG1 VAL 66 1HG1 VAL 66 1.866 9.907 -3.489 551 2HG1 VAL 66 2HG1 VAL 66 1.067 9.746 -5.054 552 3HG1 VAL 66 3HG1 VAL 66 1.049 11.292 -4.206 553 1HG2 VAL 66 1HG2 VAL 66 0.704 9.301 -1.546 554 2HG2 VAL 66 2HG2 VAL 66 -0.891 8.574 -1.752 555 3HG2 VAL 66 3HG2 VAL 66 0.487 7.947 -2.656 556 H TYR 67 H TYR 67 -2.733 11.245 -4.684 557 HA TYR 67 HA TYR 67 -1.389 13.060 -6.377 558 1HB TYR 67 1HB TYR 67 -3.466 11.444 -6.777 559 2HB TYR 67 2HB TYR 67 -4.366 12.919 -6.432 560 HD1 TYR 67 HD1 TYR 67 -4.307 14.800 -7.962 561 HD2 TYR 67 HD2 TYR 67 -2.076 11.267 -8.766 562 HE1 TYR 67 HE1 TYR 67 -3.974 15.544 -10.282 563 HE2 TYR 67 HE2 TYR 67 -1.735 12.001 -11.085 564 HH TYR 67 HH TYR 67 -2.898 13.526 -12.725 565 H ASN 68 H ASN 68 -3.527 13.472 -3.665 566 HA ASN 68 HA ASN 68 -3.853 16.316 -4.175 567 1HB ASN 68 1HB ASN 68 -5.077 14.330 -2.328 568 2HB ASN 68 2HB ASN 68 -5.040 16.010 -1.802 569 1HD2 ASN 68 1HD2 ASN 68 -7.903 14.824 -4.215 570 2HD2 ASN 68 2HD2 ASN 68 -6.924 13.810 -3.215 571 H LEU 69 H LEU 69 -1.855 14.202 -2.280 572 HA LEU 69 HA LEU 69 -1.165 15.910 -0.176 573 1HB LEU 69 1HB LEU 69 0.467 14.398 0.365 574 2HB LEU 69 2HB LEU 69 -0.547 13.402 -0.654 575 HG LEU 69 HG LEU 69 1.089 14.110 -2.558 576 1HD1 LEU 69 1HD1 LEU 69 3.440 14.270 -1.422 577 2HD1 LEU 69 2HD1 LEU 69 2.472 15.721 -1.671 578 3HD1 LEU 69 3HD1 LEU 69 2.522 14.956 -0.082 579 1HD2 LEU 69 1HD2 LEU 69 1.036 11.970 -0.672 580 2HD2 LEU 69 2HD2 LEU 69 1.575 11.953 -2.351 581 3HD2 LEU 69 3HD2 LEU 69 2.715 12.343 -1.063 582 H ARG 70 H ARG 70 0.090 15.680 -3.460 583 HA ARG 70 HA ARG 70 2.092 17.693 -2.974 584 1HB ARG 70 1HB ARG 70 1.229 16.282 -5.493 585 2HB ARG 70 2HB ARG 70 2.492 17.504 -5.455 586 1HG ARG 70 1HG ARG 70 3.914 16.147 -4.170 587 2HG ARG 70 2HG ARG 70 2.609 15.033 -3.755 588 1HD ARG 70 1HD ARG 70 3.653 13.833 -5.397 589 2HD ARG 70 2HD ARG 70 2.488 14.729 -6.364 590 HE ARG 70 HE ARG 70 4.279 16.246 -6.971 591 1HH1 ARG 70 1HH1 ARG 70 6.843 13.271 -6.180 592 2HH1 ARG 70 2HH1 ARG 70 5.248 13.215 -5.515 593 1HH2 ARG 70 1HH2 ARG 70 7.486 15.021 -7.497 594 2HH2 ARG 70 2HH2 ARG 70 6.377 16.305 -7.841 595 H MET 71 H MET 71 -1.077 17.886 -3.243 596 HA MET 71 HA MET 71 -1.067 20.400 -4.767 597 1HB MET 71 1HB MET 71 -3.132 18.292 -4.322 598 2HB MET 71 2HB MET 71 -3.670 19.949 -4.553 599 1HG MET 71 1HG MET 71 -2.667 20.056 -6.708 600 2HG MET 71 2HG MET 71 -1.851 18.511 -6.466 601 1HE MET 71 1HE MET 71 -4.072 19.972 -8.585 602 2HE MET 71 2HE MET 71 -3.313 18.497 -9.182 603 3HE MET 71 3HE MET 71 -5.071 18.626 -9.135 604 H ASN 72 H ASN 72 -1.819 18.920 -1.692 605 HA ASN 72 HA ASN 72 -2.946 21.404 -0.657 606 1HB ASN 72 1HB ASN 72 -2.689 18.619 0.466 607 2HB ASN 72 2HB ASN 72 -3.187 19.983 1.462 608 1HD2 ASN 72 1HD2 ASN 72 -6.445 19.154 0.610 609 2HD2 ASN 72 2HD2 ASN 72 -5.233 19.255 1.837 610 H LEU 73 H LEU 73 -0.630 19.095 0.758 611 HA LEU 73 HA LEU 73 0.792 21.348 1.948 612 1HB LEU 73 1HB LEU 73 0.071 19.364 3.309 613 2HB LEU 73 2HB LEU 73 1.235 18.403 2.418 614 HG LEU 73 HG LEU 73 3.033 19.938 3.254 615 1HD1 LEU 73 1HD1 LEU 73 2.652 21.607 4.759 616 2HD1 LEU 73 2HD1 LEU 73 1.151 21.697 3.837 617 3HD1 LEU 73 3HD1 LEU 73 1.183 20.859 5.388 618 1HD2 LEU 73 1HD2 LEU 73 1.564 17.906 4.664 619 2HD2 LEU 73 2HD2 LEU 73 3.299 18.223 4.639 620 3HD2 LEU 73 3HD2 LEU 73 2.266 19.061 5.796 621 H GLY 74 H GLY 74 1.930 18.243 0.606 622 1HA GLY 74 1HA GLY 74 3.268 18.390 -1.493 623 2HA GLY 74 2HA GLY 74 4.065 19.769 -0.753 624 H GLY 75 H GLY 75 6.104 19.181 -0.367 625 1HA GLY 75 1HA GLY 75 6.566 16.523 0.834 626 2HA GLY 75 2HA GLY 75 7.737 17.382 -0.155 627 H THR 76 H THR 76 5.785 18.124 2.738 628 HA THR 76 HA THR 76 8.253 19.126 4.003 629 HB THR 76 HB THR 76 6.488 20.443 5.434 630 HG1 THR 76 HG1 THR 76 5.074 20.117 3.003 631 1HG2 THR 76 1HG2 THR 76 8.146 21.248 3.516 632 2HG2 THR 76 2HG2 THR 76 6.610 21.584 2.717 633 3HG2 THR 76 3HG2 THR 76 6.968 22.318 4.280 634 H GLY 77 H GLY 77 5.247 17.347 4.468 635 1HA GLY 77 1HA GLY 77 4.642 15.779 6.028 636 2HA GLY 77 2HA GLY 77 6.359 15.566 6.334 637 H PHE 78 H PHE 78 4.888 18.682 6.759 638 HA PHE 78 HA PHE 78 5.541 18.597 9.585 639 1HB PHE 78 1HB PHE 78 5.273 20.640 7.566 640 2HB PHE 78 2HB PHE 78 4.312 21.056 8.981 641 HD1 PHE 78 HD1 PHE 78 5.358 21.523 11.102 642 HD2 PHE 78 HD2 PHE 78 7.686 20.476 7.698 643 HE1 PHE 78 HE1 PHE 78 7.386 22.311 12.252 644 HE2 PHE 78 HE2 PHE 78 9.718 21.259 8.843 645 HZ PHE 78 HZ PHE 78 9.569 22.179 11.122 646 H GLN 79 H GLN 79 4.130 18.290 11.185 647 HA GLN 79 HA GLN 79 1.294 18.059 10.502 648 1HB GLN 79 1HB GLN 79 2.964 17.055 12.794 649 2HB GLN 79 2HB GLN 79 1.208 17.079 12.891 650 1HG GLN 79 1HG GLN 79 1.060 15.639 10.941 651 2HG GLN 79 2HG GLN 79 2.818 15.641 10.795 652 1HE2 GLN 79 1HE2 GLN 79 3.197 13.702 13.854 653 2HE2 GLN 79 2HE2 GLN 79 3.783 15.182 13.177 Start of MODEL 9 1 1H MET 1 1H MET 1 -19.113 1.424 -0.774 2 2H MET 1 2H MET 1 -18.535 1.495 -2.388 3 3H MET 1 3H MET 1 -17.427 1.426 -1.081 4 HA MET 1 HA MET 1 -18.265 3.639 -2.347 5 1HB MET 1 1HB MET 1 -20.330 2.908 -0.620 6 2HB MET 1 2HB MET 1 -19.452 4.147 0.264 7 1HG MET 1 1HG MET 1 -19.808 5.747 -1.428 8 2HG MET 1 2HG MET 1 -20.351 4.522 -2.574 9 1HE MET 1 1HE MET 1 -22.467 7.369 -0.450 10 2HE MET 1 2HE MET 1 -22.226 6.371 0.985 11 3HE MET 1 3HE MET 1 -20.841 6.863 0.008 12 H ASP 2 H ASP 2 -17.726 2.683 1.052 13 HA ASP 2 HA ASP 2 -15.786 4.775 1.431 14 1HB ASP 2 1HB ASP 2 -15.518 3.786 3.688 15 2HB ASP 2 2HB ASP 2 -17.203 4.117 3.295 16 H ARG 3 H ARG 3 -13.813 4.622 0.603 17 HA ARG 3 HA ARG 3 -12.342 2.109 0.933 18 1HB ARG 3 1HB ARG 3 -13.367 2.609 -1.468 19 2HB ARG 3 2HB ARG 3 -11.937 3.621 -1.604 20 1HG ARG 3 1HG ARG 3 -10.490 1.762 -1.293 21 2HG ARG 3 2HG ARG 3 -11.838 0.715 -0.840 22 1HD ARG 3 1HD ARG 3 -12.670 1.539 -3.264 23 2HD ARG 3 2HD ARG 3 -10.926 1.599 -3.505 24 HE ARG 3 HE ARG 3 -11.217 -0.828 -2.448 25 1HH1 ARG 3 1HH1 ARG 3 -13.391 -0.707 -5.812 26 2HH1 ARG 3 2HH1 ARG 3 -13.002 0.767 -4.993 27 1HH2 ARG 3 1HH2 ARG 3 -12.666 -2.711 -4.983 28 2HH2 ARG 3 2HH2 ARG 3 -11.726 -2.765 -3.531 29 H VAL 4 H VAL 4 -11.663 3.640 2.739 30 HA VAL 4 HA VAL 4 -9.254 5.042 1.839 31 HB VAL 4 HB VAL 4 -9.661 6.842 3.513 32 1HG1 VAL 4 1HG1 VAL 4 -11.674 7.824 2.117 33 2HG1 VAL 4 2HG1 VAL 4 -10.072 7.624 1.407 34 3HG1 VAL 4 3HG1 VAL 4 -11.333 6.433 1.089 35 1HG2 VAL 4 1HG2 VAL 4 -11.408 5.393 4.739 36 2HG2 VAL 4 2HG2 VAL 4 -11.693 7.127 4.608 37 3HG2 VAL 4 3HG2 VAL 4 -12.539 6.011 3.537 38 H LEU 5 H LEU 5 -7.526 4.447 2.935 39 HA LEU 5 HA LEU 5 -7.830 2.739 5.243 40 1HB LEU 5 1HB LEU 5 -5.238 2.715 5.028 41 2HB LEU 5 2HB LEU 5 -6.233 1.829 3.905 42 HG LEU 5 HG LEU 5 -5.979 3.631 2.272 43 1HD1 LEU 5 1HD1 LEU 5 -4.772 4.952 4.551 44 2HD1 LEU 5 2HD1 LEU 5 -3.835 5.082 3.063 45 3HD1 LEU 5 3HD1 LEU 5 -5.511 5.626 3.100 46 1HD2 LEU 5 1HD2 LEU 5 -3.182 3.178 2.787 47 2HD2 LEU 5 2HD2 LEU 5 -4.133 1.714 3.027 48 3HD2 LEU 5 3HD2 LEU 5 -4.204 2.568 1.486 49 H SER 6 H SER 6 -7.160 3.110 7.284 50 HA SER 6 HA SER 6 -6.850 5.899 8.031 51 1HB SER 6 1HB SER 6 -7.282 5.155 10.295 52 2HB SER 6 2HB SER 6 -8.452 4.392 9.219 53 HG SER 6 HG SER 6 -7.323 2.490 9.356 54 H ARG 7 H ARG 7 -5.429 5.722 10.378 55 HA ARG 7 HA ARG 7 -2.779 5.911 9.499 56 1HB ARG 7 1HB ARG 7 -3.666 5.436 12.345 57 2HB ARG 7 2HB ARG 7 -2.170 6.189 11.810 58 1HG ARG 7 1HG ARG 7 -3.172 8.177 11.338 59 2HG ARG 7 2HG ARG 7 -4.730 7.433 10.970 60 1HD ARG 7 1HD ARG 7 -4.679 6.827 13.524 61 2HD ARG 7 2HD ARG 7 -3.551 8.180 13.605 62 HE ARG 7 HE ARG 7 -6.385 8.314 13.202 63 1HH1 ARG 7 1HH1 ARG 7 -4.075 11.499 12.457 64 2HH1 ARG 7 2HH1 ARG 7 -3.354 9.933 12.598 65 1HH2 ARG 7 1HH2 ARG 7 -6.336 11.751 12.695 66 2HH2 ARG 7 2HH2 ARG 7 -7.336 10.375 13.017 67 H ALA 8 H ALA 8 -4.529 3.265 11.037 68 HA ALA 8 HA ALA 8 -2.267 1.622 11.507 69 1HB ALA 8 1HB ALA 8 -5.037 0.558 11.070 70 2HB ALA 8 2HB ALA 8 -3.773 -0.043 12.144 71 3HB ALA 8 3HB ALA 8 -4.616 1.457 12.527 72 H ASP 9 H ASP 9 -4.754 1.526 8.946 73 HA ASP 9 HA ASP 9 -3.636 -0.591 7.497 74 1HB ASP 9 1HB ASP 9 -5.214 1.720 6.362 75 2HB ASP 9 2HB ASP 9 -5.037 0.121 5.655 76 H LYS 10 H LYS 10 -3.231 2.933 7.045 77 HA LYS 10 HA LYS 10 -1.448 2.741 4.880 78 1HB LYS 10 1HB LYS 10 -0.781 5.055 5.455 79 2HB LYS 10 2HB LYS 10 -2.525 4.844 5.399 80 1HG LYS 10 1HG LYS 10 -2.524 5.914 7.350 81 2HG LYS 10 2HG LYS 10 -2.000 4.373 8.024 82 1HD LYS 10 1HD LYS 10 -0.043 5.246 8.625 83 2HD LYS 10 2HD LYS 10 0.262 5.797 6.978 84 1HE LYS 10 1HE LYS 10 -0.868 7.856 7.372 85 2HE LYS 10 2HE LYS 10 -1.497 7.286 8.916 86 1HZ LYS 10 1HZ LYS 10 0.994 8.532 8.340 87 2HZ LYS 10 2HZ LYS 10 0.264 8.239 9.836 88 3HZ LYS 10 3HZ LYS 10 1.230 7.050 9.123 89 H GLU 11 H GLU 11 -0.982 2.580 8.349 90 HA GLU 11 HA GLU 11 1.850 2.753 8.349 91 1HB GLU 11 1HB GLU 11 -0.220 2.288 10.280 92 2HB GLU 11 2HB GLU 11 1.014 1.057 10.473 93 1HG GLU 11 1HG GLU 11 2.639 2.573 11.045 94 2HG GLU 11 2HG GLU 11 1.819 3.916 10.253 95 H ARG 12 H ARG 12 -0.456 0.140 8.006 96 HA ARG 12 HA ARG 12 1.357 -2.017 8.110 97 1HB ARG 12 1HB ARG 12 -1.045 -2.338 8.369 98 2HB ARG 12 2HB ARG 12 -1.325 -1.762 6.731 99 1HG ARG 12 1HG ARG 12 -1.490 -4.153 6.775 100 2HG ARG 12 2HG ARG 12 -0.048 -3.688 5.871 101 1HD ARG 12 1HD ARG 12 1.283 -4.065 7.948 102 2HD ARG 12 2HD ARG 12 -0.179 -4.694 8.708 103 HE ARG 12 HE ARG 12 0.615 -5.965 6.224 104 1HH1 ARG 12 1HH1 ARG 12 1.062 -7.736 9.790 105 2HH1 ARG 12 2HH1 ARG 12 0.710 -6.043 9.715 106 1HH2 ARG 12 1HH2 ARG 12 1.272 -8.953 7.867 107 2HH2 ARG 12 2HH2 ARG 12 1.078 -8.189 6.325 108 H LEU 13 H LEU 13 0.317 0.138 5.557 109 HA LEU 13 HA LEU 13 1.298 -1.283 3.343 110 1HB LEU 13 1HB LEU 13 -0.209 0.546 3.026 111 2HB LEU 13 2HB LEU 13 0.866 1.655 3.850 112 HG LEU 13 HG LEU 13 2.469 0.918 1.814 113 1HD1 LEU 13 1HD1 LEU 13 -0.087 1.163 0.345 114 2HD1 LEU 13 2HD1 LEU 13 1.404 0.336 -0.102 115 3HD1 LEU 13 3HD1 LEU 13 0.293 -0.409 1.048 116 1HD2 LEU 13 1HD2 LEU 13 2.282 3.079 1.227 117 2HD2 LEU 13 2HD2 LEU 13 0.528 2.986 1.052 118 3HD2 LEU 13 3HD2 LEU 13 1.247 3.188 2.650 119 H LEU 14 H LEU 14 2.805 1.110 5.472 120 HA LEU 14 HA LEU 14 5.263 1.293 4.105 121 1HB LEU 14 1HB LEU 14 4.360 1.906 6.892 122 2HB LEU 14 2HB LEU 14 6.067 1.972 6.498 123 HG LEU 14 HG LEU 14 3.867 3.633 5.271 124 1HD1 LEU 14 1HD1 LEU 14 5.767 5.327 6.235 125 2HD1 LEU 14 2HD1 LEU 14 4.297 4.863 7.093 126 3HD1 LEU 14 3HD1 LEU 14 5.814 4.025 7.424 127 1HD2 LEU 14 1HD2 LEU 14 6.463 2.891 4.235 128 2HD2 LEU 14 2HD2 LEU 14 5.157 3.791 3.464 129 3HD2 LEU 14 3HD2 LEU 14 6.336 4.634 4.470 130 H GLU 15 H GLU 15 4.136 -0.804 6.712 131 HA GLU 15 HA GLU 15 6.533 -2.023 7.403 132 1HB GLU 15 1HB GLU 15 3.835 -3.377 7.296 133 2HB GLU 15 2HB GLU 15 5.205 -3.831 8.301 134 1HG GLU 15 1HG GLU 15 4.868 -1.288 9.100 135 2HG GLU 15 2HG GLU 15 3.209 -1.698 8.663 136 H LEU 16 H LEU 16 4.422 -2.594 4.669 137 HA LEU 16 HA LEU 16 5.862 -4.971 3.853 138 1HB LEU 16 1HB LEU 16 3.479 -3.475 2.881 139 2HB LEU 16 2HB LEU 16 4.345 -4.472 1.726 140 HG LEU 16 HG LEU 16 2.462 -5.681 2.700 141 1HD1 LEU 16 1HD1 LEU 16 3.789 -7.410 2.263 142 2HD1 LEU 16 2HD1 LEU 16 5.222 -6.549 2.824 143 3HD1 LEU 16 3HD1 LEU 16 4.204 -7.412 3.976 144 1HD2 LEU 16 1HD2 LEU 16 2.660 -4.394 4.909 145 2HD2 LEU 16 2HD2 LEU 16 2.198 -6.095 4.981 146 3HD2 LEU 16 3HD2 LEU 16 3.853 -5.613 5.355 147 H LEU 17 H LEU 17 6.052 -1.580 3.346 148 HA LEU 17 HA LEU 17 7.509 -1.785 0.859 149 1HB LEU 17 1HB LEU 17 6.448 0.406 2.525 150 2HB LEU 17 2HB LEU 17 7.873 0.772 1.571 151 HG LEU 17 HG LEU 17 6.693 0.142 -0.473 152 1HD1 LEU 17 1HD1 LEU 17 4.489 -0.601 -0.548 153 2HD1 LEU 17 2HD1 LEU 17 5.192 -1.513 0.787 154 3HD1 LEU 17 3HD1 LEU 17 4.168 -0.116 1.116 155 1HD2 LEU 17 1HD2 LEU 17 6.573 2.461 0.536 156 2HD2 LEU 17 2HD2 LEU 17 5.320 2.048 -0.635 157 3HD2 LEU 17 3HD2 LEU 17 4.956 2.030 1.090 158 H LYS 18 H LYS 18 8.324 -2.264 4.044 159 HA LYS 18 HA LYS 18 10.296 -2.281 5.195 160 1HB LYS 18 1HB LYS 18 10.880 -3.049 2.452 161 2HB LYS 18 2HB LYS 18 12.264 -2.304 3.235 162 1HG LYS 18 1HG LYS 18 12.586 -4.515 3.753 163 2HG LYS 18 2HG LYS 18 11.698 -3.958 5.173 164 1HD LYS 18 1HD LYS 18 9.987 -5.326 4.743 165 2HD LYS 18 2HD LYS 18 9.911 -4.815 3.055 166 1HE LYS 18 1HE LYS 18 11.952 -6.318 2.704 167 2HE LYS 18 2HE LYS 18 11.566 -6.999 4.283 168 1HZ LYS 18 1HZ LYS 18 10.614 -8.212 2.337 169 2HZ LYS 18 2HZ LYS 18 9.478 -7.741 3.497 170 3HZ LYS 18 3HZ LYS 18 9.618 -6.874 2.052 171 H LEU 19 H LEU 19 9.179 0.274 4.024 172 HA LEU 19 HA LEU 19 11.590 1.932 4.102 173 1HB LEU 19 1HB LEU 19 10.481 2.209 2.048 174 2HB LEU 19 2HB LEU 19 8.902 2.223 2.797 175 HG LEU 19 HG LEU 19 10.574 4.435 3.679 176 1HD1 LEU 19 1HD1 LEU 19 11.560 4.409 1.533 177 2HD1 LEU 19 2HD1 LEU 19 10.021 4.064 0.749 178 3HD1 LEU 19 3HD1 LEU 19 10.306 5.644 1.469 179 1HD2 LEU 19 1HD2 LEU 19 7.810 3.828 2.972 180 2HD2 LEU 19 2HD2 LEU 19 8.450 4.981 4.142 181 3HD2 LEU 19 3HD2 LEU 19 8.328 5.426 2.441 182 HA PRO 20 HA PRO 20 10.498 3.091 8.260 183 1HB PRO 20 1HB PRO 20 11.648 5.689 7.373 184 2HB PRO 20 2HB PRO 20 11.997 4.738 8.816 185 1HG PRO 20 1HG PRO 20 13.643 4.787 6.682 186 2HG PRO 20 2HG PRO 20 13.468 3.364 7.722 187 1HD PRO 20 1HD PRO 20 12.535 3.805 4.964 188 2HD PRO 20 2HD PRO 20 12.822 2.284 5.830 189 H ARG 21 H ARG 21 9.274 4.705 9.398 190 HA ARG 21 HA ARG 21 7.054 5.705 7.811 191 1HB ARG 21 1HB ARG 21 6.041 6.180 10.079 192 2HB ARG 21 2HB ARG 21 6.362 4.487 9.732 193 1HG ARG 21 1HG ARG 21 8.400 4.591 11.072 194 2HG ARG 21 2HG ARG 21 8.093 6.295 11.409 195 1HD ARG 21 1HD ARG 21 5.735 5.171 12.154 196 2HD ARG 21 2HD ARG 21 6.867 3.881 12.554 197 HE ARG 21 HE ARG 21 7.747 5.194 14.228 198 1HH1 ARG 21 1HH1 ARG 21 5.589 8.449 13.344 199 2HH1 ARG 21 2HH1 ARG 21 5.605 7.111 12.246 200 1HH2 ARG 21 1HH2 ARG 21 6.793 8.364 15.282 201 2HH2 ARG 21 2HH2 ARG 21 7.726 6.957 15.669 202 H GLN 22 H GLN 22 9.912 6.846 9.194 203 HA GLN 22 HA GLN 22 9.191 9.462 9.937 204 1HB GLN 22 1HB GLN 22 11.354 8.067 10.362 205 2HB GLN 22 2HB GLN 22 11.896 8.777 8.849 206 1HG GLN 22 1HG GLN 22 11.253 11.026 9.947 207 2HG GLN 22 2HG GLN 22 11.304 10.112 11.454 208 1HE2 GLN 22 1HE2 GLN 22 14.769 10.609 9.319 209 2HE2 GLN 22 2HE2 GLN 22 13.245 10.531 8.509 210 H LEU 23 H LEU 23 10.175 8.068 6.864 211 HA LEU 23 HA LEU 23 10.181 10.690 5.609 212 1HB LEU 23 1HB LEU 23 11.111 9.666 3.677 213 2HB LEU 23 2HB LEU 23 11.950 9.033 5.075 214 HG LEU 23 HG LEU 23 11.584 7.310 3.388 215 1HD1 LEU 23 1HD1 LEU 23 10.716 5.583 4.786 216 2HD1 LEU 23 2HD1 LEU 23 11.594 6.726 5.804 217 3HD1 LEU 23 3HD1 LEU 23 9.833 6.754 5.763 218 1HD2 LEU 23 1HD2 LEU 23 8.659 7.298 3.882 219 2HD2 LEU 23 2HD2 LEU 23 9.324 8.449 2.720 220 3HD2 LEU 23 3HD2 LEU 23 9.580 6.727 2.496 221 H TRP 24 H TRP 24 7.788 8.751 6.490 222 HA TRP 24 HA TRP 24 6.194 8.196 4.311 223 1HB TRP 24 1HB TRP 24 5.586 7.450 6.517 224 2HB TRP 24 2HB TRP 24 5.427 9.106 7.090 225 HD1 TRP 24 HD1 TRP 24 3.126 10.299 6.720 226 HE1 TRP 24 HE1 TRP 24 0.850 9.527 5.801 227 HE3 TRP 24 HE3 TRP 24 4.547 5.835 4.679 228 HZ2 TRP 24 HZ2 TRP 24 -0.205 7.316 4.398 229 HZ3 TRP 24 HZ3 TRP 24 2.843 4.450 3.568 230 HH2 TRP 24 HH2 TRP 24 0.517 5.177 3.431 231 H GLY 25 H GLY 25 6.017 9.654 2.662 232 1HA GLY 25 1HA GLY 25 4.138 11.546 2.481 233 2HA GLY 25 2HA GLY 25 5.439 12.447 3.242 234 H ASP 26 H ASP 26 7.586 11.137 1.831 235 HA ASP 26 HA ASP 26 7.435 12.665 -0.617 236 1HB ASP 26 1HB ASP 26 9.462 12.445 0.980 237 2HB ASP 26 2HB ASP 26 9.747 10.913 0.161 238 H PHE 27 H PHE 27 6.093 11.654 -2.056 239 HA PHE 27 HA PHE 27 5.667 9.033 -2.593 240 1HB PHE 27 1HB PHE 27 4.766 11.201 -3.758 241 2HB PHE 27 2HB PHE 27 6.034 10.862 -4.931 242 HD1 PHE 27 HD1 PHE 27 3.640 8.699 -3.057 243 HD2 PHE 27 HD2 PHE 27 5.126 9.963 -6.840 244 HE1 PHE 27 HE1 PHE 27 2.162 7.081 -4.173 245 HE2 PHE 27 HE2 PHE 27 3.648 8.347 -7.963 246 HZ PHE 27 HZ PHE 27 2.163 6.904 -6.629 247 H GLY 28 H GLY 28 8.349 10.969 -3.877 248 1HA GLY 28 1HA GLY 28 9.460 9.075 -5.589 249 2HA GLY 28 2HA GLY 28 10.361 10.350 -4.786 250 H ARG 29 H ARG 29 10.020 9.536 -2.117 251 HA ARG 29 HA ARG 29 12.002 7.462 -2.006 252 1HB ARG 29 1HB ARG 29 10.610 9.160 0.037 253 2HB ARG 29 2HB ARG 29 11.570 7.776 0.541 254 1HG ARG 29 1HG ARG 29 13.504 8.741 -0.676 255 2HG ARG 29 2HG ARG 29 12.526 10.172 -1.009 256 1HD ARG 29 1HD ARG 29 12.455 9.475 1.796 257 2HD ARG 29 2HD ARG 29 14.112 9.700 1.234 258 HE ARG 29 HE ARG 29 12.125 11.725 1.588 259 1HH1 ARG 29 1HH1 ARG 29 15.376 12.477 -0.629 260 2HH1 ARG 29 2HH1 ARG 29 14.948 10.840 -0.264 261 1HH2 ARG 29 1HH2 ARG 29 14.092 14.203 0.148 262 2HH2 ARG 29 2HH2 ARG 29 12.685 13.880 1.105 263 H MET 30 H MET 30 8.656 7.760 -0.788 264 HA MET 30 HA MET 30 8.460 5.164 0.234 265 1HB MET 30 1HB MET 30 5.998 5.477 0.033 266 2HB MET 30 2HB MET 30 6.818 6.809 0.834 267 1HG MET 30 1HG MET 30 6.616 8.194 -1.064 268 2HG MET 30 2HG MET 30 6.106 6.851 -2.078 269 1HE MET 30 1HE MET 30 5.521 8.501 1.170 270 2HE MET 30 2HE MET 30 3.884 9.150 1.080 271 3HE MET 30 3HE MET 30 4.150 7.508 1.665 272 H GLN 31 H GLN 31 7.788 6.414 -3.015 273 HA GLN 31 HA GLN 31 6.744 3.980 -4.036 274 1HB GLN 31 1HB GLN 31 6.543 6.343 -5.038 275 2HB GLN 31 2HB GLN 31 8.145 6.059 -5.707 276 1HG GLN 31 1HG GLN 31 7.223 3.993 -6.785 277 2HG GLN 31 2HG GLN 31 5.623 4.522 -6.268 278 1HE2 GLN 31 1HE2 GLN 31 7.585 6.846 -9.018 279 2HE2 GLN 31 2HE2 GLN 31 8.452 6.104 -7.720 280 H GLN 32 H GLN 32 9.964 5.300 -3.688 281 HA GLN 32 HA GLN 32 11.367 3.580 -5.396 282 1HB GLN 32 1HB GLN 32 12.087 5.648 -3.827 283 2HB GLN 32 2HB GLN 32 12.645 4.319 -2.821 284 1HG GLN 32 1HG GLN 32 14.498 4.283 -4.026 285 2HG GLN 32 2HG GLN 32 13.536 3.699 -5.384 286 1HE2 GLN 32 1HE2 GLN 32 13.478 6.778 -7.085 287 2HE2 GLN 32 2HE2 GLN 32 12.660 5.274 -6.850 288 H ALA 33 H ALA 33 10.138 3.173 -2.149 289 HA ALA 33 HA ALA 33 11.463 0.660 -1.702 290 1HB ALA 33 1HB ALA 33 9.657 2.424 -0.197 291 2HB ALA 33 2HB ALA 33 9.495 0.706 0.151 292 3HB ALA 33 3HB ALA 33 11.057 1.499 0.346 293 H TYR 34 H TYR 34 8.153 1.709 -2.465 294 HA TYR 34 HA TYR 34 6.915 -0.776 -2.466 295 1HB TYR 34 1HB TYR 34 5.761 1.443 -2.708 296 2HB TYR 34 2HB TYR 34 6.296 1.480 -4.387 297 HD1 TYR 34 HD1 TYR 34 3.610 0.667 -2.300 298 HD2 TYR 34 HD2 TYR 34 5.700 -0.757 -5.733 299 HE1 TYR 34 HE1 TYR 34 1.648 -0.665 -2.958 300 HE2 TYR 34 HE2 TYR 34 3.735 -2.072 -6.394 301 HH TYR 34 HH TYR 34 1.214 -2.758 -4.356 302 H LYS 35 H LYS 35 8.551 0.907 -5.130 303 HA LYS 35 HA LYS 35 8.130 -1.054 -7.093 304 1HB LYS 35 1HB LYS 35 9.954 1.256 -6.740 305 2HB LYS 35 2HB LYS 35 10.451 0.041 -7.910 306 1HG LYS 35 1HG LYS 35 7.757 0.505 -8.450 307 2HG LYS 35 2HG LYS 35 8.446 2.097 -8.129 308 1HD LYS 35 1HD LYS 35 9.609 2.095 -10.045 309 2HD LYS 35 2HD LYS 35 10.144 0.429 -9.817 310 1HE LYS 35 1HE LYS 35 8.771 0.698 -11.837 311 2HE LYS 35 2HE LYS 35 8.035 -0.399 -10.670 312 1HZ LYS 35 1HZ LYS 35 6.222 0.845 -10.827 313 2HZ LYS 35 2HZ LYS 35 7.054 2.097 -10.052 314 3HZ LYS 35 3HZ LYS 35 7.017 2.027 -11.742 315 H GLN 36 H GLN 36 10.719 -0.612 -4.731 316 HA GLN 36 HA GLN 36 12.262 -2.832 -5.691 317 1HB GLN 36 1HB GLN 36 13.271 -0.892 -4.519 318 2HB GLN 36 2HB GLN 36 12.441 -1.377 -3.046 319 1HG GLN 36 1HG GLN 36 13.790 -3.218 -2.731 320 2HG GLN 36 2HG GLN 36 14.241 -3.309 -4.432 321 1HE2 GLN 36 1HE2 GLN 36 16.328 -1.006 -1.825 322 2HE2 GLN 36 2HE2 GLN 36 14.836 -1.758 -1.383 323 H GLN 37 H GLN 37 9.627 -2.422 -3.499 324 HA GLN 37 HA GLN 37 10.072 -4.989 -2.206 325 1HB GLN 37 1HB GLN 37 8.446 -2.615 -1.689 326 2HB GLN 37 2HB GLN 37 7.577 -4.115 -1.411 327 1HG GLN 37 1HG GLN 37 8.752 -3.149 0.583 328 2HG GLN 37 2HG GLN 37 9.127 -4.831 0.216 329 1HE2 GLN 37 1HE2 GLN 37 12.483 -4.060 0.524 330 2HE2 GLN 37 2HE2 GLN 37 11.128 -5.006 1.026 331 H SER 38 H SER 38 8.291 -3.651 -4.832 332 HA SER 38 HA SER 38 6.262 -5.651 -4.964 333 1HB SER 38 1HB SER 38 5.734 -4.731 -7.133 334 2HB SER 38 2HB SER 38 6.107 -3.392 -6.050 335 HG SER 38 HG SER 38 7.945 -3.024 -7.102 336 H LEU 39 H LEU 39 9.541 -5.379 -6.094 337 HA LEU 39 HA LEU 39 9.484 -7.420 -8.043 338 1HB LEU 39 1HB LEU 39 11.633 -6.065 -6.469 339 2HB LEU 39 2HB LEU 39 12.027 -7.492 -7.410 340 HG LEU 39 HG LEU 39 10.525 -5.460 -8.905 341 1HD1 LEU 39 1HD1 LEU 39 13.167 -4.826 -7.646 342 2HD1 LEU 39 2HD1 LEU 39 12.719 -4.147 -9.211 343 3HD1 LEU 39 3HD1 LEU 39 11.728 -3.817 -7.789 344 1HD2 LEU 39 1HD2 LEU 39 11.882 -7.642 -9.590 345 2HD2 LEU 39 2HD2 LEU 39 11.732 -6.249 -10.662 346 3HD2 LEU 39 3HD2 LEU 39 13.196 -6.469 -9.703 347 H LEU 40 H LEU 40 9.887 -7.469 -4.552 348 HA LEU 40 HA LEU 40 10.573 -10.296 -4.595 349 1HB LEU 40 1HB LEU 40 10.908 -10.136 -2.236 350 2HB LEU 40 2HB LEU 40 11.679 -8.759 -2.995 351 HG LEU 40 HG LEU 40 9.367 -7.597 -2.388 352 1HD1 LEU 40 1HD1 LEU 40 8.549 -9.813 -1.426 353 2HD1 LEU 40 2HD1 LEU 40 9.662 -9.509 -0.095 354 3HD1 LEU 40 3HD1 LEU 40 8.353 -8.375 -0.426 355 1HD2 LEU 40 1HD2 LEU 40 10.915 -7.703 0.036 356 2HD2 LEU 40 2HD2 LEU 40 11.970 -7.602 -1.372 357 3HD2 LEU 40 3HD2 LEU 40 10.724 -6.382 -1.116 358 H LEU 41 H LEU 41 7.780 -8.356 -4.421 359 HA LEU 41 HA LEU 41 6.199 -10.438 -3.117 360 1HB LEU 41 1HB LEU 41 5.598 -7.621 -3.981 361 2HB LEU 41 2HB LEU 41 4.329 -8.725 -3.486 362 HG LEU 41 HG LEU 41 6.640 -7.800 -1.777 363 1HD1 LEU 41 1HD1 LEU 41 4.162 -7.168 -0.625 364 2HD1 LEU 41 2HD1 LEU 41 5.356 -6.059 -1.300 365 3HD1 LEU 41 3HD1 LEU 41 4.056 -6.681 -2.317 366 1HD2 LEU 41 1HD2 LEU 41 4.899 -8.947 -0.070 367 2HD2 LEU 41 2HD2 LEU 41 4.678 -9.978 -1.485 368 3HD2 LEU 41 3HD2 LEU 41 6.282 -9.786 -0.775 369 H HIS 42 H HIS 42 7.331 -9.938 -6.131 370 HA HIS 42 HA HIS 42 4.909 -10.557 -7.602 371 1HB HIS 42 1HB HIS 42 6.848 -9.006 -8.367 372 2HB HIS 42 2HB HIS 42 7.684 -10.503 -8.765 373 HD1 HIS 42 HD1 HIS 42 6.926 -11.754 -10.841 374 HD2 HIS 42 HD2 HIS 42 4.597 -8.424 -10.000 375 HE1 HIS 42 HE1 HIS 42 5.485 -11.421 -12.871 376 HE2 HIS 42 HE2 HIS 42 4.071 -9.404 -12.337 377 HA PRO 43 HA PRO 43 5.414 -14.941 -7.381 378 1HB PRO 43 1HB PRO 43 4.220 -15.654 -9.741 379 2HB PRO 43 2HB PRO 43 3.338 -15.207 -8.277 380 1HG PRO 43 1HG PRO 43 3.978 -13.558 -10.687 381 2HG PRO 43 2HG PRO 43 2.478 -13.630 -9.743 382 1HD PRO 43 1HD PRO 43 4.251 -11.624 -9.460 383 2HD PRO 43 2HD PRO 43 3.302 -12.233 -8.094 384 H ASP 44 H ASP 44 7.017 -13.063 -9.696 385 HA ASP 44 HA ASP 44 8.241 -15.323 -11.052 386 1HB ASP 44 1HB ASP 44 7.629 -12.907 -12.007 387 2HB ASP 44 2HB ASP 44 9.264 -12.554 -11.452 388 H LYS 45 H LYS 45 8.856 -13.249 -8.381 389 HA LYS 45 HA LYS 45 11.650 -14.168 -8.254 390 1HB LYS 45 1HB LYS 45 10.264 -11.749 -7.127 391 2HB LYS 45 2HB LYS 45 11.800 -12.303 -6.476 392 1HG LYS 45 1HG LYS 45 12.086 -10.515 -8.117 393 2HG LYS 45 2HG LYS 45 12.852 -12.017 -8.640 394 1HD LYS 45 1HD LYS 45 11.400 -12.317 -10.363 395 2HD LYS 45 2HD LYS 45 10.053 -11.572 -9.497 396 1HE LYS 45 1HE LYS 45 10.610 -9.461 -10.167 397 2HE LYS 45 2HE LYS 45 12.330 -9.835 -10.280 398 1HZ LYS 45 1HZ LYS 45 10.243 -10.089 -12.277 399 2HZ LYS 45 2HZ LYS 45 11.899 -9.800 -12.471 400 3HZ LYS 45 3HZ LYS 45 11.341 -11.376 -12.219 401 H GLY 46 H GLY 46 9.278 -15.727 -7.490 402 1HA GLY 46 1HA GLY 46 8.794 -17.248 -5.833 403 2HA GLY 46 2HA GLY 46 10.236 -16.702 -4.991 404 H GLY 47 H GLY 47 7.384 -14.814 -5.929 405 1HA GLY 47 1HA GLY 47 6.942 -14.277 -3.055 406 2HA GLY 47 2HA GLY 47 6.663 -13.095 -4.325 407 H SER 48 H SER 48 4.713 -13.701 -2.457 408 HA SER 48 HA SER 48 2.852 -15.550 -3.716 409 1HB SER 48 1HB SER 48 3.195 -14.411 -1.062 410 2HB SER 48 2HB SER 48 1.523 -14.296 -1.608 411 HG SER 48 HG SER 48 2.954 -16.705 -1.887 412 H HIS 49 H HIS 49 0.851 -14.978 -4.554 413 HA HIS 49 HA HIS 49 0.754 -12.373 -5.753 414 1HB HIS 49 1HB HIS 49 -1.437 -13.232 -6.717 415 2HB HIS 49 2HB HIS 49 0.021 -14.105 -7.165 416 HD1 HIS 49 HD1 HIS 49 -0.875 -15.125 -3.826 417 HD2 HIS 49 HD2 HIS 49 -2.142 -16.096 -7.657 418 HE1 HIS 49 HE1 HIS 49 -2.073 -17.316 -3.596 419 HE2 HIS 49 HE2 HIS 49 -2.743 -17.935 -5.942 420 H ALA 50 H ALA 50 -0.618 -13.783 -2.916 421 HA ALA 50 HA ALA 50 -2.866 -12.027 -2.727 422 1HB ALA 50 1HB ALA 50 -2.378 -12.882 -0.161 423 2HB ALA 50 2HB ALA 50 -3.392 -13.701 -1.347 424 3HB ALA 50 3HB ALA 50 -1.707 -14.181 -1.146 425 H LEU 51 H LEU 51 0.482 -11.865 -1.830 426 HA LEU 51 HA LEU 51 0.173 -9.683 0.013 427 1HB LEU 51 1HB LEU 51 2.423 -11.227 -1.151 428 2HB LEU 51 2HB LEU 51 2.784 -9.609 -0.582 429 HG LEU 51 HG LEU 51 1.476 -10.521 1.573 430 1HD1 LEU 51 1HD1 LEU 51 2.453 -12.924 0.100 431 2HD1 LEU 51 2HD1 LEU 51 2.506 -12.897 1.863 432 3HD1 LEU 51 3HD1 LEU 51 0.968 -12.697 1.023 433 1HD2 LEU 51 1HD2 LEU 51 3.589 -9.582 1.857 434 2HD2 LEU 51 2HD2 LEU 51 3.796 -11.248 2.400 435 3HD2 LEU 51 3HD2 LEU 51 4.361 -10.765 0.800 436 H MET 52 H MET 52 1.485 -10.014 -3.274 437 HA MET 52 HA MET 52 2.115 -7.352 -3.736 438 1HB MET 52 1HB MET 52 2.357 -9.607 -5.179 439 2HB MET 52 2HB MET 52 0.994 -8.879 -6.017 440 1HG MET 52 1HG MET 52 3.589 -7.450 -5.506 441 2HG MET 52 2HG MET 52 3.246 -8.365 -6.974 442 1HE MET 52 1HE MET 52 3.470 -5.441 -5.247 443 2HE MET 52 2HE MET 52 3.418 -4.445 -6.701 444 3HE MET 52 3HE MET 52 2.092 -4.380 -5.538 445 H GLN 53 H GLN 53 -0.971 -9.031 -4.159 446 HA GLN 53 HA GLN 53 -2.284 -6.780 -5.335 447 1HB GLN 53 1HB GLN 53 -4.309 -8.076 -5.164 448 2HB GLN 53 2HB GLN 53 -3.008 -9.126 -5.707 449 1HG GLN 53 1HG GLN 53 -2.866 -10.206 -3.632 450 2HG GLN 53 2HG GLN 53 -3.804 -8.957 -2.821 451 1HE2 GLN 53 1HE2 GLN 53 -5.608 -12.073 -4.638 452 2HE2 GLN 53 2HE2 GLN 53 -3.896 -11.848 -4.666 453 H GLU 54 H GLU 54 -1.973 -8.053 -2.069 454 HA GLU 54 HA GLU 54 -3.955 -6.475 -0.847 455 1HB GLU 54 1HB GLU 54 -2.536 -8.484 0.063 456 2HB GLU 54 2HB GLU 54 -1.442 -7.220 0.603 457 1HG GLU 54 1HG GLU 54 -2.693 -7.284 2.456 458 2HG GLU 54 2HG GLU 54 -3.778 -6.252 1.524 459 H LEU 55 H LEU 55 -0.447 -5.957 -1.148 460 HA LEU 55 HA LEU 55 -0.382 -3.463 0.133 461 1HB LEU 55 1HB LEU 55 1.619 -4.727 -0.162 462 2HB LEU 55 2HB LEU 55 1.417 -4.752 -1.903 463 HG LEU 55 HG LEU 55 1.682 -2.196 -1.776 464 1HD1 LEU 55 1HD1 LEU 55 1.481 -2.396 0.821 465 2HD1 LEU 55 2HD1 LEU 55 3.207 -2.748 0.726 466 3HD1 LEU 55 3HD1 LEU 55 2.581 -1.222 0.101 467 1HD2 LEU 55 1HD2 LEU 55 4.299 -3.093 -1.069 468 2HD2 LEU 55 2HD2 LEU 55 3.493 -4.343 -2.017 469 3HD2 LEU 55 3HD2 LEU 55 3.649 -2.709 -2.663 470 H ASN 56 H ASN 56 -0.916 -4.369 -3.233 471 HA ASN 56 HA ASN 56 -0.727 -1.827 -4.387 472 1HB ASN 56 1HB ASN 56 -1.550 -4.447 -5.202 473 2HB ASN 56 2HB ASN 56 -2.740 -3.279 -5.768 474 1HD2 ASN 56 1HD2 ASN 56 0.462 -3.787 -7.911 475 2HD2 ASN 56 2HD2 ASN 56 -0.294 -4.923 -6.852 476 H SER 57 H SER 57 -3.400 -3.454 -2.779 477 HA SER 57 HA SER 57 -5.382 -1.538 -3.456 478 1HB SER 57 1HB SER 57 -5.206 -3.952 -1.849 479 2HB SER 57 2HB SER 57 -6.180 -2.718 -1.050 480 HG SER 57 HG SER 57 -7.680 -3.415 -2.350 481 H LEU 58 H LEU 58 -2.993 -1.761 -0.926 482 HA LEU 58 HA LEU 58 -4.163 0.398 0.615 483 1HB LEU 58 1HB LEU 58 -1.757 -1.356 0.918 484 2HB LEU 58 2HB LEU 58 -1.881 0.121 1.854 485 HG LEU 58 HG LEU 58 -4.286 -1.540 2.006 486 1HD1 LEU 58 1HD1 LEU 58 -2.733 -2.924 3.778 487 2HD1 LEU 58 2HD1 LEU 58 -3.251 -3.512 2.197 488 3HD1 LEU 58 3HD1 LEU 58 -1.662 -2.770 2.384 489 1HD2 LEU 58 1HD2 LEU 58 -2.762 0.310 3.609 490 2HD2 LEU 58 2HD2 LEU 58 -4.439 -0.209 3.784 491 3HD2 LEU 58 3HD2 LEU 58 -3.144 -1.146 4.528 492 H TRP 59 H TRP 59 -1.732 -0.035 -1.825 493 HA TRP 59 HA TRP 59 -0.588 2.598 -1.388 494 1HB TRP 59 1HB TRP 59 0.955 0.839 -1.922 495 2HB TRP 59 2HB TRP 59 0.018 0.368 -3.329 496 HD1 TRP 59 HD1 TRP 59 0.747 1.357 -5.571 497 HE1 TRP 59 HE1 TRP 59 2.432 3.151 -6.317 498 HE3 TRP 59 HE3 TRP 59 2.010 3.275 -0.984 499 HZ2 TRP 59 HZ2 TRP 59 4.077 5.103 -5.139 500 HZ3 TRP 59 HZ3 TRP 59 3.661 5.092 -0.899 501 HH2 TRP 59 HH2 TRP 59 4.665 5.989 -2.930 502 H GLY 60 H GLY 60 -3.050 1.091 -3.237 503 1HA GLY 60 1HA GLY 60 -3.062 2.960 -5.419 504 2HA GLY 60 2HA GLY 60 -4.319 1.795 -5.038 505 H THR 61 H THR 61 -5.460 2.389 -2.813 506 HA THR 61 HA THR 61 -6.926 4.735 -3.211 507 HB THR 61 HB THR 61 -7.148 2.637 -1.514 508 HG1 THR 61 HG1 THR 61 -8.895 3.774 -0.616 509 1HG2 THR 61 1HG2 THR 61 -6.270 4.897 0.234 510 2HG2 THR 61 2HG2 THR 61 -7.185 3.495 0.786 511 3HG2 THR 61 3HG2 THR 61 -5.566 3.282 0.122 512 H PHE 62 H PHE 62 -4.277 3.984 -1.078 513 HA PHE 62 HA PHE 62 -3.747 6.330 0.232 514 1HB PHE 62 1HB PHE 62 -2.448 4.303 0.570 515 2HB PHE 62 2HB PHE 62 -1.830 4.387 -1.079 516 HD1 PHE 62 HD1 PHE 62 0.467 4.342 -0.537 517 HD2 PHE 62 HD2 PHE 62 -2.089 7.287 1.188 518 HE1 PHE 62 HE1 PHE 62 2.428 5.573 0.283 519 HE2 PHE 62 HE2 PHE 62 -0.120 8.520 2.002 520 HZ PHE 62 HZ PHE 62 2.142 7.655 1.544 521 H LYS 63 H LYS 63 -2.510 5.340 -2.913 522 HA LYS 63 HA LYS 63 -1.173 7.649 -3.666 523 1HB LYS 63 1HB LYS 63 -1.908 5.179 -4.807 524 2HB LYS 63 2HB LYS 63 -2.487 6.398 -5.912 525 1HG LYS 63 1HG LYS 63 -0.242 7.345 -6.058 526 2HG LYS 63 2HG LYS 63 0.340 6.131 -4.916 527 1HD LYS 63 1HD LYS 63 -0.702 5.705 -7.709 528 2HD LYS 63 2HD LYS 63 0.909 5.353 -7.087 529 1HE LYS 63 1HE LYS 63 -0.243 3.708 -5.507 530 2HE LYS 63 2HE LYS 63 -1.671 3.913 -6.516 531 1HZ LYS 63 1HZ LYS 63 -0.327 1.989 -7.166 532 2HZ LYS 63 2HZ LYS 63 -0.442 3.124 -8.414 533 3HZ LYS 63 3HZ LYS 63 0.979 3.009 -7.506 534 H THR 64 H THR 64 -4.589 6.755 -4.168 535 HA THR 64 HA THR 64 -5.395 8.883 -5.741 536 HB THR 64 HB THR 64 -6.946 7.629 -3.460 537 HG1 THR 64 HG1 THR 64 -6.149 6.220 -5.192 538 1HG2 THR 64 1HG2 THR 64 -8.840 8.602 -4.160 539 2HG2 THR 64 2HG2 THR 64 -7.733 9.834 -4.766 540 3HG2 THR 64 3HG2 THR 64 -8.349 8.591 -5.854 541 H GLU 65 H GLU 65 -4.712 8.712 -2.329 542 HA GLU 65 HA GLU 65 -5.497 11.459 -1.836 543 1HB GLU 65 1HB GLU 65 -3.954 9.718 0.073 544 2HB GLU 65 2HB GLU 65 -5.046 11.045 0.440 545 1HG GLU 65 1HG GLU 65 -6.206 8.705 -0.944 546 2HG GLU 65 2HG GLU 65 -5.713 8.486 0.733 547 H VAL 66 H VAL 66 -2.647 9.566 -2.484 548 HA VAL 66 HA VAL 66 -0.656 11.255 -1.606 549 HB VAL 66 HB VAL 66 -0.655 9.373 -3.944 550 1HG1 VAL 66 1HG1 VAL 66 1.139 11.408 -3.727 551 2HG1 VAL 66 2HG1 VAL 66 1.934 10.146 -2.791 552 3HG1 VAL 66 3HG1 VAL 66 1.484 9.847 -4.469 553 1HG2 VAL 66 1HG2 VAL 66 0.492 7.882 -2.467 554 2HG2 VAL 66 2HG2 VAL 66 0.647 9.136 -1.237 555 3HG2 VAL 66 3HG2 VAL 66 -0.938 8.476 -1.625 556 H TYR 67 H TYR 67 -2.431 11.308 -4.665 557 HA TYR 67 HA TYR 67 -0.895 13.340 -5.880 558 1HB TYR 67 1HB TYR 67 -2.467 11.803 -7.083 559 2HB TYR 67 2HB TYR 67 -3.808 12.726 -6.408 560 HD1 TYR 67 HD1 TYR 67 -0.695 13.196 -8.415 561 HD2 TYR 67 HD2 TYR 67 -4.655 14.526 -7.607 562 HE1 TYR 67 HE1 TYR 67 -0.537 14.785 -10.285 563 HE2 TYR 67 HE2 TYR 67 -4.508 16.117 -9.477 564 HH TYR 67 HH TYR 67 -3.138 16.271 -11.662 565 H ASN 68 H ASN 68 -3.795 13.447 -3.853 566 HA ASN 68 HA ASN 68 -3.919 16.334 -4.085 567 1HB ASN 68 1HB ASN 68 -5.918 16.182 -2.683 568 2HB ASN 68 2HB ASN 68 -6.012 15.075 -4.047 569 1HD2 ASN 68 1HD2 ASN 68 -6.980 12.586 -1.869 570 2HD2 ASN 68 2HD2 ASN 68 -7.291 13.527 -3.283 571 H LEU 69 H LEU 69 -2.268 14.127 -2.131 572 HA LEU 69 HA LEU 69 -2.351 15.393 0.371 573 1HB LEU 69 1HB LEU 69 -0.678 13.966 1.011 574 2HB LEU 69 2HB LEU 69 -1.296 13.113 -0.387 575 HG LEU 69 HG LEU 69 0.589 14.365 -1.681 576 1HD1 LEU 69 1HD1 LEU 69 2.265 14.237 0.688 577 2HD1 LEU 69 2HD1 LEU 69 2.140 15.491 -0.544 578 3HD1 LEU 69 3HD1 LEU 69 1.013 15.473 0.811 579 1HD2 LEU 69 1HD2 LEU 69 0.526 11.901 -0.154 580 2HD2 LEU 69 2HD2 LEU 69 1.169 12.215 -1.766 581 3HD2 LEU 69 3HD2 LEU 69 2.167 12.518 -0.344 582 H ARG 70 H ARG 70 -0.376 15.976 -2.482 583 HA ARG 70 HA ARG 70 1.209 17.985 -1.184 584 1HB ARG 70 1HB ARG 70 1.051 16.967 -4.002 585 2HB ARG 70 2HB ARG 70 2.011 18.384 -3.598 586 1HG ARG 70 1HG ARG 70 3.143 16.894 -1.856 587 2HG ARG 70 2HG ARG 70 2.396 15.547 -2.718 588 1HD ARG 70 1HD ARG 70 3.598 15.985 -4.678 589 2HD ARG 70 2HD ARG 70 4.021 17.616 -4.158 590 HE ARG 70 HE ARG 70 5.856 16.746 -3.134 591 1HH1 ARG 70 1HH1 ARG 70 4.585 12.953 -2.938 592 2HH1 ARG 70 2HH1 ARG 70 3.528 14.179 -3.551 593 1HH2 ARG 70 1HH2 ARG 70 6.698 13.496 -2.249 594 2HH2 ARG 70 2HH2 ARG 70 7.247 15.135 -2.333 595 H MET 71 H MET 71 -1.845 18.014 -2.104 596 HA MET 71 HA MET 71 -1.798 20.830 -2.957 597 1HB MET 71 1HB MET 71 -3.462 18.522 -3.768 598 2HB MET 71 2HB MET 71 -4.316 20.045 -3.568 599 1HG MET 71 1HG MET 71 -1.981 20.615 -5.032 600 2HG MET 71 2HG MET 71 -2.682 19.157 -5.733 601 1HE MET 71 1HE MET 71 -3.597 23.120 -7.045 602 2HE MET 71 2HE MET 71 -2.189 22.424 -6.244 603 3HE MET 71 3HE MET 71 -2.728 21.781 -7.795 604 H ASN 72 H ASN 72 -3.389 18.461 -0.878 605 HA ASN 72 HA ASN 72 -5.244 20.180 0.332 606 1HB ASN 72 1HB ASN 72 -3.886 17.738 1.493 607 2HB ASN 72 2HB ASN 72 -5.334 18.503 2.138 608 1HD2 ASN 72 1HD2 ASN 72 -6.430 15.647 0.137 609 2HD2 ASN 72 2HD2 ASN 72 -5.505 15.917 1.570 610 H LEU 73 H LEU 73 -5.135 21.588 1.999 611 HA LEU 73 HA LEU 73 -2.476 22.043 3.183 612 1HB LEU 73 1HB LEU 73 -3.730 23.818 1.695 613 2HB LEU 73 2HB LEU 73 -4.608 24.135 3.179 614 HG LEU 73 HG LEU 73 -2.723 25.681 2.855 615 1HD1 LEU 73 1HD1 LEU 73 -3.480 25.168 5.111 616 2HD1 LEU 73 2HD1 LEU 73 -2.379 23.792 5.179 617 3HD1 LEU 73 3HD1 LEU 73 -1.738 25.431 5.077 618 1HD2 LEU 73 1HD2 LEU 73 -0.759 23.540 3.450 619 2HD2 LEU 73 2HD2 LEU 73 -1.358 23.664 1.796 620 3HD2 LEU 73 3HD2 LEU 73 -0.561 25.044 2.550 621 H GLY 74 H GLY 74 -5.856 22.842 4.014 622 1HA GLY 74 1HA GLY 74 -5.355 21.694 6.687 623 2HA GLY 74 2HA GLY 74 -6.124 23.264 6.503 624 H GLY 75 H GLY 75 -7.922 22.903 4.528 625 1HA GLY 75 1HA GLY 75 -9.716 21.463 3.827 626 2HA GLY 75 2HA GLY 75 -9.534 20.572 5.330 627 H THR 76 H THR 76 -10.021 24.003 4.473 628 HA THR 76 HA THR 76 -11.864 24.304 6.689 629 HB THR 76 HB THR 76 -11.193 26.384 4.613 630 HG1 THR 76 HG1 THR 76 -9.769 25.870 7.007 631 1HG2 THR 76 1HG2 THR 76 -11.344 27.806 6.783 632 2HG2 THR 76 2HG2 THR 76 -12.813 27.328 5.931 633 3HG2 THR 76 3HG2 THR 76 -12.304 26.449 7.373 634 H GLY 77 H GLY 77 -13.847 23.494 6.380 635 1HA GLY 77 1HA GLY 77 -15.955 24.415 5.233 636 2HA GLY 77 2HA GLY 77 -15.137 23.904 3.763 637 H PHE 78 H PHE 78 -14.450 21.554 3.749 638 HA PHE 78 HA PHE 78 -16.759 19.955 4.320 639 1HB PHE 78 1HB PHE 78 -14.321 19.706 2.746 640 2HB PHE 78 2HB PHE 78 -14.723 18.209 3.582 641 HD1 PHE 78 HD1 PHE 78 -17.332 17.609 3.432 642 HD2 PHE 78 HD2 PHE 78 -15.167 19.982 0.641 643 HE1 PHE 78 HE1 PHE 78 -19.003 17.092 1.703 644 HE2 PHE 78 HE2 PHE 78 -16.835 19.471 -1.094 645 HZ PHE 78 HZ PHE 78 -18.756 18.024 -0.564 646 H GLN 79 H GLN 79 -16.970 18.268 5.768 647 HA GLN 79 HA GLN 79 -15.432 18.497 8.176 648 1HB GLN 79 1HB GLN 79 -17.976 17.521 7.471 649 2HB GLN 79 2HB GLN 79 -17.095 16.140 8.109 650 1HG GLN 79 1HG GLN 79 -16.815 17.123 10.196 651 2HG GLN 79 2HG GLN 79 -17.142 18.742 9.582 652 1HE2 GLN 79 1HE2 GLN 79 -20.068 17.462 11.494 653 2HE2 GLN 79 2HE2 GLN 79 -18.385 17.649 11.832 Start of MODEL 10 1 1H MET 1 1H MET 1 -19.113 1.424 -0.774 2 2H MET 1 2H MET 1 -18.535 1.495 -2.388 3 3H MET 1 3H MET 1 -17.427 1.426 -1.081 4 HA MET 1 HA MET 1 -18.265 3.639 -2.347 5 1HB MET 1 1HB MET 1 -20.330 2.908 -0.620 6 2HB MET 1 2HB MET 1 -19.452 4.147 0.264 7 1HG MET 1 1HG MET 1 -19.808 5.747 -1.428 8 2HG MET 1 2HG MET 1 -20.351 4.522 -2.574 9 1HE MET 1 1HE MET 1 -22.467 7.369 -0.450 10 2HE MET 1 2HE MET 1 -22.226 6.371 0.985 11 3HE MET 1 3HE MET 1 -20.841 6.863 0.008 12 H ASP 2 H ASP 2 -17.726 2.683 1.052 13 HA ASP 2 HA ASP 2 -15.786 4.775 1.431 14 1HB ASP 2 1HB ASP 2 -15.518 3.786 3.688 15 2HB ASP 2 2HB ASP 2 -17.203 4.117 3.295 16 H ARG 3 H ARG 3 -13.813 4.622 0.603 17 HA ARG 3 HA ARG 3 -12.342 2.109 0.933 18 1HB ARG 3 1HB ARG 3 -13.367 2.609 -1.468 19 2HB ARG 3 2HB ARG 3 -11.937 3.621 -1.604 20 1HG ARG 3 1HG ARG 3 -10.490 1.762 -1.293 21 2HG ARG 3 2HG ARG 3 -11.838 0.715 -0.840 22 1HD ARG 3 1HD ARG 3 -12.670 1.539 -3.264 23 2HD ARG 3 2HD ARG 3 -10.926 1.599 -3.505 24 HE ARG 3 HE ARG 3 -11.217 -0.828 -2.448 25 1HH1 ARG 3 1HH1 ARG 3 -13.391 -0.707 -5.812 26 2HH1 ARG 3 2HH1 ARG 3 -13.002 0.767 -4.993 27 1HH2 ARG 3 1HH2 ARG 3 -12.666 -2.711 -4.983 28 2HH2 ARG 3 2HH2 ARG 3 -11.726 -2.765 -3.531 29 H VAL 4 H VAL 4 -11.663 3.640 2.739 30 HA VAL 4 HA VAL 4 -9.254 5.042 1.839 31 HB VAL 4 HB VAL 4 -9.661 6.842 3.513 32 1HG1 VAL 4 1HG1 VAL 4 -11.674 7.824 2.117 33 2HG1 VAL 4 2HG1 VAL 4 -10.072 7.624 1.407 34 3HG1 VAL 4 3HG1 VAL 4 -11.333 6.433 1.089 35 1HG2 VAL 4 1HG2 VAL 4 -11.408 5.393 4.739 36 2HG2 VAL 4 2HG2 VAL 4 -11.693 7.127 4.608 37 3HG2 VAL 4 3HG2 VAL 4 -12.539 6.011 3.537 38 H LEU 5 H LEU 5 -7.526 4.447 2.935 39 HA LEU 5 HA LEU 5 -7.830 2.739 5.243 40 1HB LEU 5 1HB LEU 5 -5.238 2.715 5.028 41 2HB LEU 5 2HB LEU 5 -6.233 1.829 3.905 42 HG LEU 5 HG LEU 5 -5.979 3.631 2.272 43 1HD1 LEU 5 1HD1 LEU 5 -4.772 4.952 4.551 44 2HD1 LEU 5 2HD1 LEU 5 -3.835 5.082 3.063 45 3HD1 LEU 5 3HD1 LEU 5 -5.511 5.626 3.100 46 1HD2 LEU 5 1HD2 LEU 5 -3.182 3.178 2.787 47 2HD2 LEU 5 2HD2 LEU 5 -4.133 1.714 3.027 48 3HD2 LEU 5 3HD2 LEU 5 -4.204 2.568 1.486 49 H SER 6 H SER 6 -7.160 3.110 7.284 50 HA SER 6 HA SER 6 -6.850 5.899 8.031 51 1HB SER 6 1HB SER 6 -7.282 5.155 10.295 52 2HB SER 6 2HB SER 6 -8.452 4.392 9.219 53 HG SER 6 HG SER 6 -7.323 2.490 9.356 54 H ARG 7 H ARG 7 -5.429 5.722 10.378 55 HA ARG 7 HA ARG 7 -2.779 5.911 9.499 56 1HB ARG 7 1HB ARG 7 -3.666 5.436 12.345 57 2HB ARG 7 2HB ARG 7 -2.170 6.189 11.810 58 1HG ARG 7 1HG ARG 7 -3.172 8.177 11.338 59 2HG ARG 7 2HG ARG 7 -4.730 7.433 10.970 60 1HD ARG 7 1HD ARG 7 -4.679 6.827 13.524 61 2HD ARG 7 2HD ARG 7 -3.551 8.180 13.605 62 HE ARG 7 HE ARG 7 -6.385 8.314 13.202 63 1HH1 ARG 7 1HH1 ARG 7 -4.075 11.499 12.457 64 2HH1 ARG 7 2HH1 ARG 7 -3.354 9.933 12.598 65 1HH2 ARG 7 1HH2 ARG 7 -6.336 11.751 12.695 66 2HH2 ARG 7 2HH2 ARG 7 -7.336 10.375 13.017 67 H ALA 8 H ALA 8 -4.529 3.265 11.037 68 HA ALA 8 HA ALA 8 -2.267 1.622 11.507 69 1HB ALA 8 1HB ALA 8 -5.037 0.558 11.070 70 2HB ALA 8 2HB ALA 8 -3.773 -0.043 12.144 71 3HB ALA 8 3HB ALA 8 -4.616 1.457 12.527 72 H ASP 9 H ASP 9 -4.754 1.526 8.946 73 HA ASP 9 HA ASP 9 -3.636 -0.591 7.497 74 1HB ASP 9 1HB ASP 9 -5.214 1.720 6.362 75 2HB ASP 9 2HB ASP 9 -5.037 0.121 5.655 76 H LYS 10 H LYS 10 -3.231 2.933 7.045 77 HA LYS 10 HA LYS 10 -1.448 2.741 4.880 78 1HB LYS 10 1HB LYS 10 -0.781 5.055 5.455 79 2HB LYS 10 2HB LYS 10 -2.525 4.844 5.399 80 1HG LYS 10 1HG LYS 10 -2.524 5.914 7.350 81 2HG LYS 10 2HG LYS 10 -2.000 4.373 8.024 82 1HD LYS 10 1HD LYS 10 -0.043 5.246 8.625 83 2HD LYS 10 2HD LYS 10 0.262 5.797 6.978 84 1HE LYS 10 1HE LYS 10 -0.868 7.856 7.372 85 2HE LYS 10 2HE LYS 10 -1.497 7.286 8.916 86 1HZ LYS 10 1HZ LYS 10 0.994 8.532 8.340 87 2HZ LYS 10 2HZ LYS 10 0.264 8.239 9.836 88 3HZ LYS 10 3HZ LYS 10 1.230 7.050 9.123 89 H GLU 11 H GLU 11 -0.982 2.580 8.349 90 HA GLU 11 HA GLU 11 1.850 2.753 8.349 91 1HB GLU 11 1HB GLU 11 -0.220 2.288 10.280 92 2HB GLU 11 2HB GLU 11 1.014 1.057 10.473 93 1HG GLU 11 1HG GLU 11 2.639 2.573 11.045 94 2HG GLU 11 2HG GLU 11 1.819 3.916 10.253 95 H ARG 12 H ARG 12 -0.456 0.140 8.006 96 HA ARG 12 HA ARG 12 1.357 -2.017 8.110 97 1HB ARG 12 1HB ARG 12 -1.045 -2.338 8.369 98 2HB ARG 12 2HB ARG 12 -1.325 -1.762 6.731 99 1HG ARG 12 1HG ARG 12 -1.490 -4.153 6.775 100 2HG ARG 12 2HG ARG 12 -0.048 -3.688 5.871 101 1HD ARG 12 1HD ARG 12 1.283 -4.065 7.948 102 2HD ARG 12 2HD ARG 12 -0.179 -4.694 8.708 103 HE ARG 12 HE ARG 12 0.615 -5.965 6.224 104 1HH1 ARG 12 1HH1 ARG 12 1.062 -7.736 9.790 105 2HH1 ARG 12 2HH1 ARG 12 0.710 -6.043 9.715 106 1HH2 ARG 12 1HH2 ARG 12 1.272 -8.953 7.867 107 2HH2 ARG 12 2HH2 ARG 12 1.078 -8.189 6.325 108 H LEU 13 H LEU 13 0.317 0.138 5.557 109 HA LEU 13 HA LEU 13 1.298 -1.283 3.343 110 1HB LEU 13 1HB LEU 13 -0.209 0.546 3.026 111 2HB LEU 13 2HB LEU 13 0.866 1.655 3.850 112 HG LEU 13 HG LEU 13 2.469 0.918 1.814 113 1HD1 LEU 13 1HD1 LEU 13 -0.087 1.163 0.345 114 2HD1 LEU 13 2HD1 LEU 13 1.404 0.336 -0.102 115 3HD1 LEU 13 3HD1 LEU 13 0.293 -0.409 1.048 116 1HD2 LEU 13 1HD2 LEU 13 2.282 3.079 1.227 117 2HD2 LEU 13 2HD2 LEU 13 0.528 2.986 1.052 118 3HD2 LEU 13 3HD2 LEU 13 1.247 3.188 2.650 119 H LEU 14 H LEU 14 2.805 1.110 5.472 120 HA LEU 14 HA LEU 14 5.263 1.293 4.105 121 1HB LEU 14 1HB LEU 14 4.360 1.906 6.892 122 2HB LEU 14 2HB LEU 14 6.067 1.972 6.498 123 HG LEU 14 HG LEU 14 3.867 3.633 5.271 124 1HD1 LEU 14 1HD1 LEU 14 5.767 5.327 6.235 125 2HD1 LEU 14 2HD1 LEU 14 4.297 4.863 7.093 126 3HD1 LEU 14 3HD1 LEU 14 5.814 4.025 7.424 127 1HD2 LEU 14 1HD2 LEU 14 6.463 2.891 4.235 128 2HD2 LEU 14 2HD2 LEU 14 5.157 3.791 3.464 129 3HD2 LEU 14 3HD2 LEU 14 6.336 4.634 4.470 130 H GLU 15 H GLU 15 4.136 -0.804 6.712 131 HA GLU 15 HA GLU 15 6.533 -2.023 7.403 132 1HB GLU 15 1HB GLU 15 3.835 -3.377 7.296 133 2HB GLU 15 2HB GLU 15 5.205 -3.831 8.301 134 1HG GLU 15 1HG GLU 15 4.868 -1.288 9.100 135 2HG GLU 15 2HG GLU 15 3.209 -1.698 8.663 136 H LEU 16 H LEU 16 4.422 -2.594 4.669 137 HA LEU 16 HA LEU 16 5.862 -4.971 3.853 138 1HB LEU 16 1HB LEU 16 3.479 -3.475 2.881 139 2HB LEU 16 2HB LEU 16 4.345 -4.472 1.726 140 HG LEU 16 HG LEU 16 2.462 -5.681 2.700 141 1HD1 LEU 16 1HD1 LEU 16 3.789 -7.410 2.263 142 2HD1 LEU 16 2HD1 LEU 16 5.222 -6.549 2.824 143 3HD1 LEU 16 3HD1 LEU 16 4.204 -7.412 3.976 144 1HD2 LEU 16 1HD2 LEU 16 2.660 -4.394 4.909 145 2HD2 LEU 16 2HD2 LEU 16 2.198 -6.095 4.981 146 3HD2 LEU 16 3HD2 LEU 16 3.853 -5.613 5.355 147 H LEU 17 H LEU 17 6.052 -1.580 3.346 148 HA LEU 17 HA LEU 17 7.509 -1.785 0.859 149 1HB LEU 17 1HB LEU 17 6.448 0.406 2.525 150 2HB LEU 17 2HB LEU 17 7.873 0.772 1.571 151 HG LEU 17 HG LEU 17 6.693 0.142 -0.473 152 1HD1 LEU 17 1HD1 LEU 17 4.489 -0.601 -0.548 153 2HD1 LEU 17 2HD1 LEU 17 5.192 -1.513 0.787 154 3HD1 LEU 17 3HD1 LEU 17 4.168 -0.116 1.116 155 1HD2 LEU 17 1HD2 LEU 17 6.573 2.461 0.536 156 2HD2 LEU 17 2HD2 LEU 17 5.320 2.048 -0.635 157 3HD2 LEU 17 3HD2 LEU 17 4.956 2.030 1.090 158 H LYS 18 H LYS 18 8.324 -2.264 4.044 159 HA LYS 18 HA LYS 18 10.296 -2.281 5.195 160 1HB LYS 18 1HB LYS 18 10.880 -3.049 2.452 161 2HB LYS 18 2HB LYS 18 12.264 -2.304 3.235 162 1HG LYS 18 1HG LYS 18 12.586 -4.515 3.753 163 2HG LYS 18 2HG LYS 18 11.698 -3.958 5.173 164 1HD LYS 18 1HD LYS 18 9.987 -5.326 4.743 165 2HD LYS 18 2HD LYS 18 9.911 -4.815 3.055 166 1HE LYS 18 1HE LYS 18 11.952 -6.318 2.704 167 2HE LYS 18 2HE LYS 18 11.566 -6.999 4.283 168 1HZ LYS 18 1HZ LYS 18 10.614 -8.212 2.337 169 2HZ LYS 18 2HZ LYS 18 9.478 -7.741 3.497 170 3HZ LYS 18 3HZ LYS 18 9.618 -6.874 2.052 171 H LEU 19 H LEU 19 9.179 0.274 4.024 172 HA LEU 19 HA LEU 19 11.590 1.932 4.102 173 1HB LEU 19 1HB LEU 19 10.481 2.209 2.048 174 2HB LEU 19 2HB LEU 19 8.902 2.223 2.797 175 HG LEU 19 HG LEU 19 10.574 4.435 3.679 176 1HD1 LEU 19 1HD1 LEU 19 11.560 4.409 1.533 177 2HD1 LEU 19 2HD1 LEU 19 10.021 4.064 0.749 178 3HD1 LEU 19 3HD1 LEU 19 10.306 5.644 1.469 179 1HD2 LEU 19 1HD2 LEU 19 7.810 3.828 2.972 180 2HD2 LEU 19 2HD2 LEU 19 8.450 4.981 4.142 181 3HD2 LEU 19 3HD2 LEU 19 8.328 5.426 2.441 182 HA PRO 20 HA PRO 20 10.498 3.091 8.260 183 1HB PRO 20 1HB PRO 20 11.648 5.689 7.373 184 2HB PRO 20 2HB PRO 20 11.997 4.738 8.816 185 1HG PRO 20 1HG PRO 20 13.643 4.787 6.682 186 2HG PRO 20 2HG PRO 20 13.468 3.364 7.722 187 1HD PRO 20 1HD PRO 20 12.535 3.805 4.964 188 2HD PRO 20 2HD PRO 20 12.822 2.284 5.830 189 H ARG 21 H ARG 21 9.274 4.705 9.398 190 HA ARG 21 HA ARG 21 7.054 5.705 7.811 191 1HB ARG 21 1HB ARG 21 6.041 6.180 10.079 192 2HB ARG 21 2HB ARG 21 6.362 4.487 9.732 193 1HG ARG 21 1HG ARG 21 8.400 4.591 11.072 194 2HG ARG 21 2HG ARG 21 8.093 6.295 11.409 195 1HD ARG 21 1HD ARG 21 5.735 5.171 12.154 196 2HD ARG 21 2HD ARG 21 6.867 3.881 12.554 197 HE ARG 21 HE ARG 21 7.747 5.194 14.228 198 1HH1 ARG 21 1HH1 ARG 21 5.589 8.449 13.344 199 2HH1 ARG 21 2HH1 ARG 21 5.605 7.111 12.246 200 1HH2 ARG 21 1HH2 ARG 21 6.793 8.364 15.282 201 2HH2 ARG 21 2HH2 ARG 21 7.726 6.957 15.669 202 H GLN 22 H GLN 22 9.912 6.846 9.194 203 HA GLN 22 HA GLN 22 9.191 9.462 9.937 204 1HB GLN 22 1HB GLN 22 11.354 8.067 10.362 205 2HB GLN 22 2HB GLN 22 11.896 8.777 8.849 206 1HG GLN 22 1HG GLN 22 11.253 11.026 9.947 207 2HG GLN 22 2HG GLN 22 11.304 10.112 11.454 208 1HE2 GLN 22 1HE2 GLN 22 14.769 10.609 9.319 209 2HE2 GLN 22 2HE2 GLN 22 13.245 10.531 8.509 210 H LEU 23 H LEU 23 10.175 8.068 6.864 211 HA LEU 23 HA LEU 23 10.181 10.690 5.609 212 1HB LEU 23 1HB LEU 23 11.111 9.666 3.677 213 2HB LEU 23 2HB LEU 23 11.950 9.033 5.075 214 HG LEU 23 HG LEU 23 11.584 7.310 3.388 215 1HD1 LEU 23 1HD1 LEU 23 10.716 5.583 4.786 216 2HD1 LEU 23 2HD1 LEU 23 11.594 6.726 5.804 217 3HD1 LEU 23 3HD1 LEU 23 9.833 6.754 5.763 218 1HD2 LEU 23 1HD2 LEU 23 8.659 7.298 3.882 219 2HD2 LEU 23 2HD2 LEU 23 9.324 8.449 2.720 220 3HD2 LEU 23 3HD2 LEU 23 9.580 6.727 2.496 221 H TRP 24 H TRP 24 7.788 8.751 6.490 222 HA TRP 24 HA TRP 24 6.194 8.196 4.311 223 1HB TRP 24 1HB TRP 24 5.586 7.450 6.517 224 2HB TRP 24 2HB TRP 24 5.427 9.106 7.090 225 HD1 TRP 24 HD1 TRP 24 3.126 10.299 6.720 226 HE1 TRP 24 HE1 TRP 24 0.850 9.527 5.801 227 HE3 TRP 24 HE3 TRP 24 4.547 5.835 4.679 228 HZ2 TRP 24 HZ2 TRP 24 -0.205 7.316 4.398 229 HZ3 TRP 24 HZ3 TRP 24 2.843 4.450 3.568 230 HH2 TRP 24 HH2 TRP 24 0.517 5.177 3.431 231 H GLY 25 H GLY 25 6.017 9.654 2.662 232 1HA GLY 25 1HA GLY 25 4.138 11.546 2.481 233 2HA GLY 25 2HA GLY 25 5.439 12.447 3.242 234 H ASP 26 H ASP 26 7.586 11.137 1.831 235 HA ASP 26 HA ASP 26 7.435 12.665 -0.617 236 1HB ASP 26 1HB ASP 26 9.462 12.445 0.980 237 2HB ASP 26 2HB ASP 26 9.747 10.913 0.161 238 H PHE 27 H PHE 27 6.093 11.654 -2.056 239 HA PHE 27 HA PHE 27 5.667 9.033 -2.593 240 1HB PHE 27 1HB PHE 27 4.766 11.201 -3.758 241 2HB PHE 27 2HB PHE 27 6.034 10.862 -4.931 242 HD1 PHE 27 HD1 PHE 27 3.640 8.699 -3.057 243 HD2 PHE 27 HD2 PHE 27 5.126 9.963 -6.840 244 HE1 PHE 27 HE1 PHE 27 2.162 7.081 -4.173 245 HE2 PHE 27 HE2 PHE 27 3.648 8.347 -7.963 246 HZ PHE 27 HZ PHE 27 2.163 6.904 -6.629 247 H GLY 28 H GLY 28 8.349 10.969 -3.877 248 1HA GLY 28 1HA GLY 28 9.460 9.075 -5.589 249 2HA GLY 28 2HA GLY 28 10.361 10.350 -4.786 250 H ARG 29 H ARG 29 10.020 9.536 -2.117 251 HA ARG 29 HA ARG 29 12.002 7.462 -2.006 252 1HB ARG 29 1HB ARG 29 10.610 9.160 0.037 253 2HB ARG 29 2HB ARG 29 11.570 7.776 0.541 254 1HG ARG 29 1HG ARG 29 13.504 8.741 -0.676 255 2HG ARG 29 2HG ARG 29 12.526 10.172 -1.009 256 1HD ARG 29 1HD ARG 29 12.455 9.475 1.796 257 2HD ARG 29 2HD ARG 29 14.112 9.700 1.234 258 HE ARG 29 HE ARG 29 12.125 11.725 1.588 259 1HH1 ARG 29 1HH1 ARG 29 15.376 12.477 -0.629 260 2HH1 ARG 29 2HH1 ARG 29 14.948 10.840 -0.264 261 1HH2 ARG 29 1HH2 ARG 29 14.092 14.203 0.148 262 2HH2 ARG 29 2HH2 ARG 29 12.685 13.880 1.105 263 H MET 30 H MET 30 8.656 7.760 -0.788 264 HA MET 30 HA MET 30 8.460 5.164 0.234 265 1HB MET 30 1HB MET 30 5.998 5.477 0.033 266 2HB MET 30 2HB MET 30 6.818 6.809 0.834 267 1HG MET 30 1HG MET 30 6.616 8.194 -1.064 268 2HG MET 30 2HG MET 30 6.106 6.851 -2.078 269 1HE MET 30 1HE MET 30 5.521 8.501 1.170 270 2HE MET 30 2HE MET 30 3.884 9.150 1.080 271 3HE MET 30 3HE MET 30 4.150 7.508 1.665 272 H GLN 31 H GLN 31 7.788 6.414 -3.015 273 HA GLN 31 HA GLN 31 6.744 3.980 -4.036 274 1HB GLN 31 1HB GLN 31 6.543 6.343 -5.038 275 2HB GLN 31 2HB GLN 31 8.145 6.059 -5.707 276 1HG GLN 31 1HG GLN 31 7.223 3.993 -6.785 277 2HG GLN 31 2HG GLN 31 5.623 4.522 -6.268 278 1HE2 GLN 31 1HE2 GLN 31 7.585 6.846 -9.018 279 2HE2 GLN 31 2HE2 GLN 31 8.452 6.104 -7.720 280 H GLN 32 H GLN 32 9.964 5.300 -3.688 281 HA GLN 32 HA GLN 32 11.367 3.580 -5.396 282 1HB GLN 32 1HB GLN 32 12.087 5.648 -3.827 283 2HB GLN 32 2HB GLN 32 12.645 4.319 -2.821 284 1HG GLN 32 1HG GLN 32 14.498 4.283 -4.026 285 2HG GLN 32 2HG GLN 32 13.536 3.699 -5.384 286 1HE2 GLN 32 1HE2 GLN 32 13.478 6.778 -7.085 287 2HE2 GLN 32 2HE2 GLN 32 12.660 5.274 -6.850 288 H ALA 33 H ALA 33 10.138 3.173 -2.149 289 HA ALA 33 HA ALA 33 11.463 0.660 -1.702 290 1HB ALA 33 1HB ALA 33 9.657 2.424 -0.197 291 2HB ALA 33 2HB ALA 33 9.495 0.706 0.151 292 3HB ALA 33 3HB ALA 33 11.057 1.499 0.346 293 H TYR 34 H TYR 34 8.153 1.709 -2.465 294 HA TYR 34 HA TYR 34 6.915 -0.776 -2.466 295 1HB TYR 34 1HB TYR 34 5.761 1.443 -2.708 296 2HB TYR 34 2HB TYR 34 6.296 1.480 -4.387 297 HD1 TYR 34 HD1 TYR 34 3.610 0.667 -2.300 298 HD2 TYR 34 HD2 TYR 34 5.700 -0.757 -5.733 299 HE1 TYR 34 HE1 TYR 34 1.648 -0.665 -2.958 300 HE2 TYR 34 HE2 TYR 34 3.735 -2.072 -6.394 301 HH TYR 34 HH TYR 34 1.214 -2.758 -4.356 302 H LYS 35 H LYS 35 8.551 0.907 -5.130 303 HA LYS 35 HA LYS 35 8.130 -1.054 -7.093 304 1HB LYS 35 1HB LYS 35 9.954 1.256 -6.740 305 2HB LYS 35 2HB LYS 35 10.451 0.041 -7.910 306 1HG LYS 35 1HG LYS 35 7.757 0.505 -8.450 307 2HG LYS 35 2HG LYS 35 8.446 2.097 -8.129 308 1HD LYS 35 1HD LYS 35 9.609 2.095 -10.045 309 2HD LYS 35 2HD LYS 35 10.144 0.429 -9.817 310 1HE LYS 35 1HE LYS 35 8.771 0.698 -11.837 311 2HE LYS 35 2HE LYS 35 8.035 -0.399 -10.670 312 1HZ LYS 35 1HZ LYS 35 6.222 0.845 -10.827 313 2HZ LYS 35 2HZ LYS 35 7.054 2.097 -10.052 314 3HZ LYS 35 3HZ LYS 35 7.017 2.027 -11.742 315 H GLN 36 H GLN 36 10.719 -0.612 -4.731 316 HA GLN 36 HA GLN 36 12.262 -2.832 -5.691 317 1HB GLN 36 1HB GLN 36 13.271 -0.892 -4.519 318 2HB GLN 36 2HB GLN 36 12.441 -1.377 -3.046 319 1HG GLN 36 1HG GLN 36 13.790 -3.218 -2.731 320 2HG GLN 36 2HG GLN 36 14.241 -3.309 -4.432 321 1HE2 GLN 36 1HE2 GLN 36 16.328 -1.006 -1.825 322 2HE2 GLN 36 2HE2 GLN 36 14.836 -1.758 -1.383 323 H GLN 37 H GLN 37 9.627 -2.422 -3.499 324 HA GLN 37 HA GLN 37 10.072 -4.989 -2.206 325 1HB GLN 37 1HB GLN 37 8.446 -2.615 -1.689 326 2HB GLN 37 2HB GLN 37 7.577 -4.115 -1.411 327 1HG GLN 37 1HG GLN 37 8.752 -3.149 0.583 328 2HG GLN 37 2HG GLN 37 9.127 -4.831 0.216 329 1HE2 GLN 37 1HE2 GLN 37 12.483 -4.060 0.524 330 2HE2 GLN 37 2HE2 GLN 37 11.128 -5.006 1.026 331 H SER 38 H SER 38 8.291 -3.651 -4.832 332 HA SER 38 HA SER 38 6.262 -5.651 -4.964 333 1HB SER 38 1HB SER 38 5.734 -4.731 -7.133 334 2HB SER 38 2HB SER 38 6.107 -3.392 -6.050 335 HG SER 38 HG SER 38 7.945 -3.024 -7.102 336 H LEU 39 H LEU 39 9.541 -5.379 -6.094 337 HA LEU 39 HA LEU 39 9.484 -7.420 -8.043 338 1HB LEU 39 1HB LEU 39 11.633 -6.065 -6.469 339 2HB LEU 39 2HB LEU 39 12.027 -7.492 -7.410 340 HG LEU 39 HG LEU 39 10.525 -5.460 -8.905 341 1HD1 LEU 39 1HD1 LEU 39 13.167 -4.826 -7.646 342 2HD1 LEU 39 2HD1 LEU 39 12.719 -4.147 -9.211 343 3HD1 LEU 39 3HD1 LEU 39 11.728 -3.817 -7.789 344 1HD2 LEU 39 1HD2 LEU 39 11.882 -7.642 -9.590 345 2HD2 LEU 39 2HD2 LEU 39 11.732 -6.249 -10.662 346 3HD2 LEU 39 3HD2 LEU 39 13.196 -6.469 -9.703 347 H LEU 40 H LEU 40 9.887 -7.469 -4.552 348 HA LEU 40 HA LEU 40 10.573 -10.296 -4.595 349 1HB LEU 40 1HB LEU 40 10.908 -10.136 -2.236 350 2HB LEU 40 2HB LEU 40 11.679 -8.759 -2.995 351 HG LEU 40 HG LEU 40 9.367 -7.597 -2.388 352 1HD1 LEU 40 1HD1 LEU 40 8.549 -9.813 -1.426 353 2HD1 LEU 40 2HD1 LEU 40 9.662 -9.509 -0.095 354 3HD1 LEU 40 3HD1 LEU 40 8.353 -8.375 -0.426 355 1HD2 LEU 40 1HD2 LEU 40 10.915 -7.703 0.036 356 2HD2 LEU 40 2HD2 LEU 40 11.970 -7.602 -1.372 357 3HD2 LEU 40 3HD2 LEU 40 10.724 -6.382 -1.116 358 H LEU 41 H LEU 41 7.780 -8.356 -4.421 359 HA LEU 41 HA LEU 41 6.199 -10.438 -3.117 360 1HB LEU 41 1HB LEU 41 5.598 -7.621 -3.981 361 2HB LEU 41 2HB LEU 41 4.329 -8.725 -3.486 362 HG LEU 41 HG LEU 41 6.640 -7.800 -1.777 363 1HD1 LEU 41 1HD1 LEU 41 4.162 -7.168 -0.625 364 2HD1 LEU 41 2HD1 LEU 41 5.356 -6.059 -1.300 365 3HD1 LEU 41 3HD1 LEU 41 4.056 -6.681 -2.317 366 1HD2 LEU 41 1HD2 LEU 41 4.899 -8.947 -0.070 367 2HD2 LEU 41 2HD2 LEU 41 4.678 -9.978 -1.485 368 3HD2 LEU 41 3HD2 LEU 41 6.282 -9.786 -0.775 369 H HIS 42 H HIS 42 7.331 -9.938 -6.131 370 HA HIS 42 HA HIS 42 4.909 -10.557 -7.602 371 1HB HIS 42 1HB HIS 42 6.848 -9.006 -8.367 372 2HB HIS 42 2HB HIS 42 7.684 -10.503 -8.765 373 HD1 HIS 42 HD1 HIS 42 6.926 -11.754 -10.841 374 HD2 HIS 42 HD2 HIS 42 4.597 -8.424 -10.000 375 HE1 HIS 42 HE1 HIS 42 5.485 -11.421 -12.871 376 HE2 HIS 42 HE2 HIS 42 4.071 -9.404 -12.337 377 HA PRO 43 HA PRO 43 5.414 -14.941 -7.381 378 1HB PRO 43 1HB PRO 43 4.220 -15.654 -9.741 379 2HB PRO 43 2HB PRO 43 3.338 -15.207 -8.277 380 1HG PRO 43 1HG PRO 43 3.978 -13.558 -10.687 381 2HG PRO 43 2HG PRO 43 2.478 -13.630 -9.743 382 1HD PRO 43 1HD PRO 43 4.251 -11.624 -9.460 383 2HD PRO 43 2HD PRO 43 3.302 -12.233 -8.094 384 H ASP 44 H ASP 44 7.017 -13.063 -9.696 385 HA ASP 44 HA ASP 44 8.241 -15.323 -11.052 386 1HB ASP 44 1HB ASP 44 7.629 -12.907 -12.007 387 2HB ASP 44 2HB ASP 44 9.264 -12.554 -11.452 388 H LYS 45 H LYS 45 8.856 -13.249 -8.381 389 HA LYS 45 HA LYS 45 11.650 -14.168 -8.254 390 1HB LYS 45 1HB LYS 45 10.264 -11.749 -7.127 391 2HB LYS 45 2HB LYS 45 11.800 -12.303 -6.476 392 1HG LYS 45 1HG LYS 45 12.086 -10.515 -8.117 393 2HG LYS 45 2HG LYS 45 12.852 -12.017 -8.640 394 1HD LYS 45 1HD LYS 45 11.400 -12.317 -10.363 395 2HD LYS 45 2HD LYS 45 10.053 -11.572 -9.497 396 1HE LYS 45 1HE LYS 45 10.610 -9.461 -10.167 397 2HE LYS 45 2HE LYS 45 12.330 -9.835 -10.280 398 1HZ LYS 45 1HZ LYS 45 10.243 -10.089 -12.277 399 2HZ LYS 45 2HZ LYS 45 11.899 -9.800 -12.471 400 3HZ LYS 45 3HZ LYS 45 11.341 -11.376 -12.219 401 H GLY 46 H GLY 46 9.278 -15.727 -7.490 402 1HA GLY 46 1HA GLY 46 8.794 -17.248 -5.833 403 2HA GLY 46 2HA GLY 46 10.236 -16.702 -4.991 404 H GLY 47 H GLY 47 7.384 -14.814 -5.929 405 1HA GLY 47 1HA GLY 47 6.942 -14.277 -3.055 406 2HA GLY 47 2HA GLY 47 6.663 -13.095 -4.325 407 H SER 48 H SER 48 4.713 -13.701 -2.457 408 HA SER 48 HA SER 48 2.852 -15.550 -3.716 409 1HB SER 48 1HB SER 48 3.195 -14.411 -1.062 410 2HB SER 48 2HB SER 48 1.523 -14.296 -1.608 411 HG SER 48 HG SER 48 2.954 -16.705 -1.887 412 H HIS 49 H HIS 49 0.851 -14.978 -4.554 413 HA HIS 49 HA HIS 49 0.754 -12.373 -5.753 414 1HB HIS 49 1HB HIS 49 -1.437 -13.232 -6.717 415 2HB HIS 49 2HB HIS 49 0.021 -14.105 -7.165 416 HD1 HIS 49 HD1 HIS 49 -0.875 -15.125 -3.826 417 HD2 HIS 49 HD2 HIS 49 -2.142 -16.096 -7.657 418 HE1 HIS 49 HE1 HIS 49 -2.073 -17.316 -3.596 419 HE2 HIS 49 HE2 HIS 49 -2.743 -17.935 -5.942 420 H ALA 50 H ALA 50 -0.618 -13.783 -2.916 421 HA ALA 50 HA ALA 50 -2.866 -12.027 -2.727 422 1HB ALA 50 1HB ALA 50 -2.378 -12.882 -0.161 423 2HB ALA 50 2HB ALA 50 -3.392 -13.701 -1.347 424 3HB ALA 50 3HB ALA 50 -1.707 -14.181 -1.146 425 H LEU 51 H LEU 51 0.482 -11.865 -1.830 426 HA LEU 51 HA LEU 51 0.173 -9.683 0.013 427 1HB LEU 51 1HB LEU 51 2.423 -11.227 -1.151 428 2HB LEU 51 2HB LEU 51 2.784 -9.609 -0.582 429 HG LEU 51 HG LEU 51 1.476 -10.521 1.573 430 1HD1 LEU 51 1HD1 LEU 51 2.453 -12.924 0.100 431 2HD1 LEU 51 2HD1 LEU 51 2.506 -12.897 1.863 432 3HD1 LEU 51 3HD1 LEU 51 0.968 -12.697 1.023 433 1HD2 LEU 51 1HD2 LEU 51 3.589 -9.582 1.857 434 2HD2 LEU 51 2HD2 LEU 51 3.796 -11.248 2.400 435 3HD2 LEU 51 3HD2 LEU 51 4.361 -10.765 0.800 436 H MET 52 H MET 52 1.485 -10.014 -3.274 437 HA MET 52 HA MET 52 2.115 -7.352 -3.736 438 1HB MET 52 1HB MET 52 2.357 -9.607 -5.179 439 2HB MET 52 2HB MET 52 0.994 -8.879 -6.017 440 1HG MET 52 1HG MET 52 3.589 -7.450 -5.506 441 2HG MET 52 2HG MET 52 3.246 -8.365 -6.974 442 1HE MET 52 1HE MET 52 3.470 -5.441 -5.247 443 2HE MET 52 2HE MET 52 3.418 -4.445 -6.701 444 3HE MET 52 3HE MET 52 2.092 -4.380 -5.538 445 H GLN 53 H GLN 53 -0.971 -9.031 -4.159 446 HA GLN 53 HA GLN 53 -2.284 -6.780 -5.335 447 1HB GLN 53 1HB GLN 53 -4.309 -8.076 -5.164 448 2HB GLN 53 2HB GLN 53 -3.008 -9.126 -5.707 449 1HG GLN 53 1HG GLN 53 -2.866 -10.206 -3.632 450 2HG GLN 53 2HG GLN 53 -3.804 -8.957 -2.821 451 1HE2 GLN 53 1HE2 GLN 53 -5.608 -12.073 -4.638 452 2HE2 GLN 53 2HE2 GLN 53 -3.896 -11.848 -4.666 453 H GLU 54 H GLU 54 -1.973 -8.053 -2.069 454 HA GLU 54 HA GLU 54 -3.955 -6.475 -0.847 455 1HB GLU 54 1HB GLU 54 -2.536 -8.484 0.063 456 2HB GLU 54 2HB GLU 54 -1.442 -7.220 0.603 457 1HG GLU 54 1HG GLU 54 -2.693 -7.284 2.456 458 2HG GLU 54 2HG GLU 54 -3.778 -6.252 1.524 459 H LEU 55 H LEU 55 -0.447 -5.957 -1.148 460 HA LEU 55 HA LEU 55 -0.382 -3.463 0.133 461 1HB LEU 55 1HB LEU 55 1.619 -4.727 -0.162 462 2HB LEU 55 2HB LEU 55 1.417 -4.752 -1.903 463 HG LEU 55 HG LEU 55 1.682 -2.196 -1.776 464 1HD1 LEU 55 1HD1 LEU 55 1.481 -2.396 0.821 465 2HD1 LEU 55 2HD1 LEU 55 3.207 -2.748 0.726 466 3HD1 LEU 55 3HD1 LEU 55 2.581 -1.222 0.101 467 1HD2 LEU 55 1HD2 LEU 55 4.299 -3.093 -1.069 468 2HD2 LEU 55 2HD2 LEU 55 3.493 -4.343 -2.017 469 3HD2 LEU 55 3HD2 LEU 55 3.649 -2.709 -2.663 470 H ASN 56 H ASN 56 -0.916 -4.369 -3.233 471 HA ASN 56 HA ASN 56 -0.727 -1.827 -4.387 472 1HB ASN 56 1HB ASN 56 -1.550 -4.447 -5.202 473 2HB ASN 56 2HB ASN 56 -2.740 -3.279 -5.768 474 1HD2 ASN 56 1HD2 ASN 56 0.462 -3.787 -7.911 475 2HD2 ASN 56 2HD2 ASN 56 -0.294 -4.923 -6.852 476 H SER 57 H SER 57 -3.400 -3.454 -2.779 477 HA SER 57 HA SER 57 -5.382 -1.538 -3.456 478 1HB SER 57 1HB SER 57 -5.206 -3.952 -1.849 479 2HB SER 57 2HB SER 57 -6.180 -2.718 -1.050 480 HG SER 57 HG SER 57 -7.680 -3.415 -2.350 481 H LEU 58 H LEU 58 -2.993 -1.761 -0.926 482 HA LEU 58 HA LEU 58 -4.163 0.398 0.615 483 1HB LEU 58 1HB LEU 58 -1.757 -1.356 0.918 484 2HB LEU 58 2HB LEU 58 -1.881 0.121 1.854 485 HG LEU 58 HG LEU 58 -4.286 -1.540 2.006 486 1HD1 LEU 58 1HD1 LEU 58 -2.733 -2.924 3.778 487 2HD1 LEU 58 2HD1 LEU 58 -3.251 -3.512 2.197 488 3HD1 LEU 58 3HD1 LEU 58 -1.662 -2.770 2.384 489 1HD2 LEU 58 1HD2 LEU 58 -2.762 0.310 3.609 490 2HD2 LEU 58 2HD2 LEU 58 -4.439 -0.209 3.784 491 3HD2 LEU 58 3HD2 LEU 58 -3.144 -1.146 4.528 492 H TRP 59 H TRP 59 -1.732 -0.035 -1.825 493 HA TRP 59 HA TRP 59 -0.588 2.598 -1.388 494 1HB TRP 59 1HB TRP 59 0.955 0.839 -1.922 495 2HB TRP 59 2HB TRP 59 0.018 0.368 -3.329 496 HD1 TRP 59 HD1 TRP 59 0.747 1.357 -5.571 497 HE1 TRP 59 HE1 TRP 59 2.432 3.151 -6.317 498 HE3 TRP 59 HE3 TRP 59 2.010 3.275 -0.984 499 HZ2 TRP 59 HZ2 TRP 59 4.077 5.103 -5.139 500 HZ3 TRP 59 HZ3 TRP 59 3.661 5.092 -0.899 501 HH2 TRP 59 HH2 TRP 59 4.665 5.989 -2.930 502 H GLY 60 H GLY 60 -3.050 1.091 -3.237 503 1HA GLY 60 1HA GLY 60 -3.062 2.960 -5.419 504 2HA GLY 60 2HA GLY 60 -4.319 1.795 -5.038 505 H THR 61 H THR 61 -5.460 2.389 -2.813 506 HA THR 61 HA THR 61 -6.926 4.735 -3.211 507 HB THR 61 HB THR 61 -7.148 2.637 -1.514 508 HG1 THR 61 HG1 THR 61 -8.895 3.774 -0.616 509 1HG2 THR 61 1HG2 THR 61 -6.270 4.897 0.234 510 2HG2 THR 61 2HG2 THR 61 -7.185 3.495 0.786 511 3HG2 THR 61 3HG2 THR 61 -5.566 3.282 0.122 512 H PHE 62 H PHE 62 -4.277 3.984 -1.078 513 HA PHE 62 HA PHE 62 -3.747 6.330 0.232 514 1HB PHE 62 1HB PHE 62 -2.448 4.303 0.570 515 2HB PHE 62 2HB PHE 62 -1.830 4.387 -1.079 516 HD1 PHE 62 HD1 PHE 62 0.467 4.342 -0.537 517 HD2 PHE 62 HD2 PHE 62 -2.089 7.287 1.188 518 HE1 PHE 62 HE1 PHE 62 2.428 5.573 0.283 519 HE2 PHE 62 HE2 PHE 62 -0.120 8.520 2.002 520 HZ PHE 62 HZ PHE 62 2.142 7.655 1.544 521 H LYS 63 H LYS 63 -2.510 5.340 -2.913 522 HA LYS 63 HA LYS 63 -1.173 7.649 -3.666 523 1HB LYS 63 1HB LYS 63 -1.908 5.179 -4.807 524 2HB LYS 63 2HB LYS 63 -2.487 6.398 -5.912 525 1HG LYS 63 1HG LYS 63 -0.242 7.345 -6.058 526 2HG LYS 63 2HG LYS 63 0.340 6.131 -4.916 527 1HD LYS 63 1HD LYS 63 -0.702 5.705 -7.709 528 2HD LYS 63 2HD LYS 63 0.909 5.353 -7.087 529 1HE LYS 63 1HE LYS 63 -0.243 3.708 -5.507 530 2HE LYS 63 2HE LYS 63 -1.671 3.913 -6.516 531 1HZ LYS 63 1HZ LYS 63 -0.327 1.989 -7.166 532 2HZ LYS 63 2HZ LYS 63 -0.442 3.124 -8.414 533 3HZ LYS 63 3HZ LYS 63 0.979 3.009 -7.506 534 H THR 64 H THR 64 -4.589 6.755 -4.168 535 HA THR 64 HA THR 64 -5.395 8.883 -5.741 536 HB THR 64 HB THR 64 -6.946 7.629 -3.460 537 HG1 THR 64 HG1 THR 64 -6.149 6.220 -5.192 538 1HG2 THR 64 1HG2 THR 64 -8.840 8.602 -4.160 539 2HG2 THR 64 2HG2 THR 64 -7.733 9.834 -4.766 540 3HG2 THR 64 3HG2 THR 64 -8.349 8.591 -5.854 541 H GLU 65 H GLU 65 -4.712 8.712 -2.329 542 HA GLU 65 HA GLU 65 -5.497 11.459 -1.836 543 1HB GLU 65 1HB GLU 65 -3.954 9.718 0.073 544 2HB GLU 65 2HB GLU 65 -5.046 11.045 0.440 545 1HG GLU 65 1HG GLU 65 -6.206 8.705 -0.944 546 2HG GLU 65 2HG GLU 65 -5.713 8.486 0.733 547 H VAL 66 H VAL 66 -2.647 9.566 -2.484 548 HA VAL 66 HA VAL 66 -0.656 11.255 -1.606 549 HB VAL 66 HB VAL 66 -0.655 9.373 -3.944 550 1HG1 VAL 66 1HG1 VAL 66 1.139 11.408 -3.727 551 2HG1 VAL 66 2HG1 VAL 66 1.934 10.146 -2.791 552 3HG1 VAL 66 3HG1 VAL 66 1.484 9.847 -4.469 553 1HG2 VAL 66 1HG2 VAL 66 0.492 7.882 -2.467 554 2HG2 VAL 66 2HG2 VAL 66 0.647 9.136 -1.237 555 3HG2 VAL 66 3HG2 VAL 66 -0.938 8.476 -1.625 556 H TYR 67 H TYR 67 -2.431 11.308 -4.665 557 HA TYR 67 HA TYR 67 -0.895 13.340 -5.880 558 1HB TYR 67 1HB TYR 67 -2.467 11.803 -7.083 559 2HB TYR 67 2HB TYR 67 -3.808 12.726 -6.408 560 HD1 TYR 67 HD1 TYR 67 -0.695 13.196 -8.415 561 HD2 TYR 67 HD2 TYR 67 -4.655 14.526 -7.607 562 HE1 TYR 67 HE1 TYR 67 -0.537 14.785 -10.285 563 HE2 TYR 67 HE2 TYR 67 -4.508 16.117 -9.477 564 HH TYR 67 HH TYR 67 -3.138 16.271 -11.662 565 H ASN 68 H ASN 68 -3.795 13.447 -3.853 566 HA ASN 68 HA ASN 68 -3.919 16.334 -4.085 567 1HB ASN 68 1HB ASN 68 -5.918 16.182 -2.683 568 2HB ASN 68 2HB ASN 68 -6.012 15.075 -4.047 569 1HD2 ASN 68 1HD2 ASN 68 -6.980 12.586 -1.869 570 2HD2 ASN 68 2HD2 ASN 68 -7.291 13.527 -3.283 571 H LEU 69 H LEU 69 -2.268 14.127 -2.131 572 HA LEU 69 HA LEU 69 -2.351 15.393 0.371 573 1HB LEU 69 1HB LEU 69 -0.678 13.966 1.011 574 2HB LEU 69 2HB LEU 69 -1.296 13.113 -0.387 575 HG LEU 69 HG LEU 69 0.589 14.365 -1.681 576 1HD1 LEU 69 1HD1 LEU 69 2.265 14.237 0.688 577 2HD1 LEU 69 2HD1 LEU 69 2.140 15.491 -0.544 578 3HD1 LEU 69 3HD1 LEU 69 1.013 15.473 0.811 579 1HD2 LEU 69 1HD2 LEU 69 0.526 11.901 -0.154 580 2HD2 LEU 69 2HD2 LEU 69 1.169 12.215 -1.766 581 3HD2 LEU 69 3HD2 LEU 69 2.167 12.518 -0.344 582 H ARG 70 H ARG 70 -0.376 15.976 -2.482 583 HA ARG 70 HA ARG 70 1.209 17.985 -1.184 584 1HB ARG 70 1HB ARG 70 1.051 16.967 -4.002 585 2HB ARG 70 2HB ARG 70 2.011 18.384 -3.598 586 1HG ARG 70 1HG ARG 70 3.143 16.894 -1.856 587 2HG ARG 70 2HG ARG 70 2.396 15.547 -2.718 588 1HD ARG 70 1HD ARG 70 3.598 15.985 -4.678 589 2HD ARG 70 2HD ARG 70 4.021 17.616 -4.158 590 HE ARG 70 HE ARG 70 5.856 16.746 -3.134 591 1HH1 ARG 70 1HH1 ARG 70 4.585 12.953 -2.938 592 2HH1 ARG 70 2HH1 ARG 70 3.528 14.179 -3.551 593 1HH2 ARG 70 1HH2 ARG 70 6.698 13.496 -2.249 594 2HH2 ARG 70 2HH2 ARG 70 7.247 15.135 -2.333 595 H MET 71 H MET 71 -1.845 18.014 -2.104 596 HA MET 71 HA MET 71 -1.798 20.830 -2.957 597 1HB MET 71 1HB MET 71 -3.462 18.522 -3.768 598 2HB MET 71 2HB MET 71 -4.316 20.045 -3.568 599 1HG MET 71 1HG MET 71 -1.981 20.615 -5.032 600 2HG MET 71 2HG MET 71 -2.682 19.157 -5.733 601 1HE MET 71 1HE MET 71 -3.597 23.120 -7.045 602 2HE MET 71 2HE MET 71 -2.189 22.424 -6.244 603 3HE MET 71 3HE MET 71 -2.728 21.781 -7.795 604 H ASN 72 H ASN 72 -3.389 18.461 -0.878 605 HA ASN 72 HA ASN 72 -5.244 20.180 0.332 606 1HB ASN 72 1HB ASN 72 -3.886 17.738 1.493 607 2HB ASN 72 2HB ASN 72 -5.334 18.503 2.138 608 1HD2 ASN 72 1HD2 ASN 72 -6.430 15.647 0.137 609 2HD2 ASN 72 2HD2 ASN 72 -5.505 15.917 1.570 610 H LEU 73 H LEU 73 -5.135 21.588 1.999 611 HA LEU 73 HA LEU 73 -2.476 22.043 3.183 612 1HB LEU 73 1HB LEU 73 -3.730 23.818 1.695 613 2HB LEU 73 2HB LEU 73 -4.608 24.135 3.179 614 HG LEU 73 HG LEU 73 -2.723 25.681 2.855 615 1HD1 LEU 73 1HD1 LEU 73 -3.480 25.168 5.111 616 2HD1 LEU 73 2HD1 LEU 73 -2.379 23.792 5.179 617 3HD1 LEU 73 3HD1 LEU 73 -1.738 25.431 5.077 618 1HD2 LEU 73 1HD2 LEU 73 -0.759 23.540 3.450 619 2HD2 LEU 73 2HD2 LEU 73 -1.358 23.664 1.796 620 3HD2 LEU 73 3HD2 LEU 73 -0.561 25.044 2.550 621 H GLY 74 H GLY 74 -5.856 22.842 4.014 622 1HA GLY 74 1HA GLY 74 -5.355 21.694 6.687 623 2HA GLY 74 2HA GLY 74 -6.124 23.264 6.503 624 H GLY 75 H GLY 75 -7.922 22.903 4.528 625 1HA GLY 75 1HA GLY 75 -9.716 21.463 3.827 626 2HA GLY 75 2HA GLY 75 -9.534 20.572 5.330 627 H THR 76 H THR 76 -10.021 24.003 4.473 628 HA THR 76 HA THR 76 -11.864 24.304 6.689 629 HB THR 76 HB THR 76 -11.193 26.384 4.613 630 HG1 THR 76 HG1 THR 76 -9.769 25.870 7.007 631 1HG2 THR 76 1HG2 THR 76 -11.344 27.806 6.783 632 2HG2 THR 76 2HG2 THR 76 -12.813 27.328 5.931 633 3HG2 THR 76 3HG2 THR 76 -12.304 26.449 7.373 634 H GLY 77 H GLY 77 -13.847 23.494 6.380 635 1HA GLY 77 1HA GLY 77 -15.955 24.415 5.233 636 2HA GLY 77 2HA GLY 77 -15.137 23.904 3.763 637 H PHE 78 H PHE 78 -14.450 21.554 3.749 638 HA PHE 78 HA PHE 78 -16.759 19.955 4.320 639 1HB PHE 78 1HB PHE 78 -14.321 19.706 2.746 640 2HB PHE 78 2HB PHE 78 -14.723 18.209 3.582 641 HD1 PHE 78 HD1 PHE 78 -17.332 17.609 3.432 642 HD2 PHE 78 HD2 PHE 78 -15.167 19.982 0.641 643 HE1 PHE 78 HE1 PHE 78 -19.003 17.092 1.703 644 HE2 PHE 78 HE2 PHE 78 -16.835 19.471 -1.094 645 HZ PHE 78 HZ PHE 78 -18.756 18.024 -0.564 646 H GLN 79 H GLN 79 -16.970 18.268 5.768 647 HA GLN 79 HA GLN 79 -15.432 18.497 8.176 648 1HB GLN 79 1HB GLN 79 -17.976 17.521 7.471 649 2HB GLN 79 2HB GLN 79 -17.095 16.140 8.109 650 1HG GLN 79 1HG GLN 79 -16.815 17.123 10.196 651 2HG GLN 79 2HG GLN 79 -17.142 18.742 9.582 652 1HE2 GLN 79 1HE2 GLN 79 -20.068 17.462 11.494 653 2HE2 GLN 79 2HE2 GLN 79 -18.385 17.649 11.832 Start of MODEL 11 1 1H MET 1 1H MET 1 -16.537 6.388 -4.550 2 2H MET 1 2H MET 1 -18.156 5.856 -4.738 3 3H MET 1 3H MET 1 -17.831 7.384 -4.032 4 HA MET 1 HA MET 1 -18.317 6.074 -2.248 5 1HB MET 1 1HB MET 1 -16.560 3.964 -3.521 6 2HB MET 1 2HB MET 1 -17.388 3.803 -1.982 7 1HG MET 1 1HG MET 1 -19.302 3.222 -2.947 8 2HG MET 1 2HG MET 1 -19.195 4.508 -4.145 9 1HE MET 1 1HE MET 1 -16.859 4.337 -5.473 10 2HE MET 1 2HE MET 1 -15.987 2.811 -5.619 11 3HE MET 1 3HE MET 1 -17.124 3.298 -6.874 12 H ASP 2 H ASP 2 -17.241 6.441 -0.361 13 HA ASP 2 HA ASP 2 -14.785 7.812 -0.412 14 1HB ASP 2 1HB ASP 2 -16.599 7.934 1.376 15 2HB ASP 2 2HB ASP 2 -15.939 6.431 2.012 16 H ARG 3 H ARG 3 -12.775 7.071 -0.571 17 HA ARG 3 HA ARG 3 -12.207 4.327 0.329 18 1HB ARG 3 1HB ARG 3 -11.517 5.639 -2.278 19 2HB ARG 3 2HB ARG 3 -10.488 4.367 -1.631 20 1HG ARG 3 1HG ARG 3 -13.326 3.685 -1.632 21 2HG ARG 3 2HG ARG 3 -12.665 3.993 -3.239 22 1HD ARG 3 1HD ARG 3 -10.852 2.388 -2.768 23 2HD ARG 3 2HD ARG 3 -11.581 2.052 -1.199 24 HE ARG 3 HE ARG 3 -13.219 0.808 -2.244 25 1HH1 ARG 3 1HH1 ARG 3 -11.970 1.600 -5.968 26 2HH1 ARG 3 2HH1 ARG 3 -11.314 2.494 -4.637 27 1HH2 ARG 3 1HH2 ARG 3 -13.539 -0.021 -5.602 28 2HH2 ARG 3 2HH2 ARG 3 -14.080 -0.364 -3.992 29 H VAL 4 H VAL 4 -11.526 5.548 2.274 30 HA VAL 4 HA VAL 4 -8.801 6.617 1.932 31 HB VAL 4 HB VAL 4 -9.155 7.931 3.998 32 1HG1 VAL 4 1HG1 VAL 4 -11.131 9.356 2.829 33 2HG1 VAL 4 2HG1 VAL 4 -9.445 9.395 2.312 34 3HG1 VAL 4 3HG1 VAL 4 -10.602 8.360 1.472 35 1HG2 VAL 4 1HG2 VAL 4 -11.111 6.345 4.687 36 2HG2 VAL 4 2HG2 VAL 4 -11.150 8.048 5.142 37 3HG2 VAL 4 3HG2 VAL 4 -12.097 7.480 3.767 38 H LEU 5 H LEU 5 -7.210 5.701 3.062 39 HA LEU 5 HA LEU 5 -7.856 3.361 4.667 40 1HB LEU 5 1HB LEU 5 -5.626 2.711 4.372 41 2HB LEU 5 2HB LEU 5 -6.136 3.350 2.847 42 HG LEU 5 HG LEU 5 -4.642 5.098 4.760 43 1HD1 LEU 5 1HD1 LEU 5 -3.351 3.286 2.728 44 2HD1 LEU 5 2HD1 LEU 5 -2.550 4.398 3.839 45 3HD1 LEU 5 3HD1 LEU 5 -3.367 2.969 4.457 46 1HD2 LEU 5 1HD2 LEU 5 -3.834 5.717 2.300 47 2HD2 LEU 5 2HD2 LEU 5 -5.420 5.047 1.925 48 3HD2 LEU 5 3HD2 LEU 5 -5.278 6.405 3.041 49 H SER 6 H SER 6 -7.172 3.016 6.770 50 HA SER 6 HA SER 6 -6.923 5.451 8.340 51 1HB SER 6 1HB SER 6 -7.424 4.053 10.260 52 2HB SER 6 2HB SER 6 -8.569 3.700 8.968 53 HG SER 6 HG SER 6 -7.653 1.822 10.020 54 H ARG 7 H ARG 7 -5.602 4.758 10.551 55 HA ARG 7 HA ARG 7 -2.911 5.076 9.877 56 1HB ARG 7 1HB ARG 7 -2.440 4.753 12.242 57 2HB ARG 7 2HB ARG 7 -3.869 5.757 12.039 58 1HG ARG 7 1HG ARG 7 -4.563 2.958 12.249 59 2HG ARG 7 2HG ARG 7 -3.626 3.506 13.637 60 1HD ARG 7 1HD ARG 7 -5.267 4.883 14.366 61 2HD ARG 7 2HD ARG 7 -5.777 5.310 12.737 62 HE ARG 7 HE ARG 7 -7.141 3.390 12.677 63 1HH1 ARG 7 1HH1 ARG 7 -6.619 2.710 16.592 64 2HH1 ARG 7 2HH1 ARG 7 -5.540 3.779 15.764 65 1HH2 ARG 7 1HH2 ARG 7 -8.323 1.692 15.465 66 2HH2 ARG 7 2HH2 ARG 7 -8.550 1.984 13.774 67 H ALA 8 H ALA 8 -4.805 2.198 10.449 68 HA ALA 8 HA ALA 8 -2.604 0.422 10.754 69 1HB ALA 8 1HB ALA 8 -4.547 -1.239 9.984 70 2HB ALA 8 2HB ALA 8 -4.449 -0.573 11.614 71 3HB ALA 8 3HB ALA 8 -5.530 0.155 10.428 72 H ASP 9 H ASP 9 -4.536 1.492 8.003 73 HA ASP 9 HA ASP 9 -3.509 -0.370 6.143 74 1HB ASP 9 1HB ASP 9 -4.758 2.348 5.796 75 2HB ASP 9 2HB ASP 9 -4.360 1.303 4.450 76 H LYS 10 H LYS 10 -2.753 3.110 6.519 77 HA LYS 10 HA LYS 10 -0.591 3.107 4.737 78 1HB LYS 10 1HB LYS 10 0.139 5.189 5.996 79 2HB LYS 10 2HB LYS 10 -1.476 5.216 5.312 80 1HG LYS 10 1HG LYS 10 -1.870 6.103 7.369 81 2HG LYS 10 2HG LYS 10 -2.171 4.399 7.693 82 1HD LYS 10 1HD LYS 10 -0.396 4.228 9.066 83 2HD LYS 10 2HD LYS 10 0.627 5.210 8.015 84 1HE LYS 10 1HE LYS 10 -0.010 7.180 9.009 85 2HE LYS 10 2HE LYS 10 -1.562 6.536 9.541 86 1HZ LYS 10 1HZ LYS 10 -0.637 6.256 11.521 87 2HZ LYS 10 2HZ LYS 10 0.351 5.054 10.857 88 3HZ LYS 10 3HZ LYS 10 0.903 6.650 10.941 89 H GLU 11 H GLU 11 -0.769 2.454 8.179 90 HA GLU 11 HA GLU 11 2.010 2.329 8.671 91 1HB GLU 11 1HB GLU 11 0.373 2.493 10.486 92 2HB GLU 11 2HB GLU 11 -0.262 0.906 10.074 93 1HG GLU 11 1HG GLU 11 2.309 0.267 10.457 94 2HG GLU 11 2HG GLU 11 2.185 1.655 11.536 95 H ARG 12 H ARG 12 -0.371 -0.067 7.652 96 HA ARG 12 HA ARG 12 1.385 -2.298 7.719 97 1HB ARG 12 1HB ARG 12 -1.035 -2.592 7.764 98 2HB ARG 12 2HB ARG 12 -1.178 -1.848 6.179 99 1HG ARG 12 1HG ARG 12 -1.377 -4.260 6.027 100 2HG ARG 12 2HG ARG 12 0.072 -3.698 5.192 101 1HD ARG 12 1HD ARG 12 1.329 -5.034 6.436 102 2HD ARG 12 2HD ARG 12 0.753 -4.242 7.900 103 HE ARG 12 HE ARG 12 -0.174 -6.754 6.783 104 1HH1 ARG 12 1HH1 ARG 12 -1.800 -5.138 10.069 105 2HH1 ARG 12 2HH1 ARG 12 -0.755 -4.182 9.076 106 1HH2 ARG 12 1HH2 ARG 12 -2.253 -7.307 9.509 107 2HH2 ARG 12 2HH2 ARG 12 -1.552 -8.006 8.089 108 H LEU 13 H LEU 13 0.449 0.020 5.237 109 HA LEU 13 HA LEU 13 1.705 -1.217 3.047 110 1HB LEU 13 1HB LEU 13 0.081 0.514 2.712 111 2HB LEU 13 2HB LEU 13 1.023 1.655 3.646 112 HG LEU 13 HG LEU 13 2.794 1.086 1.685 113 1HD1 LEU 13 1HD1 LEU 13 0.358 1.327 0.040 114 2HD1 LEU 13 2HD1 LEU 13 1.883 0.509 -0.298 115 3HD1 LEU 13 3HD1 LEU 13 0.679 -0.264 0.732 116 1HD2 LEU 13 1HD2 LEU 13 2.397 3.240 0.946 117 2HD2 LEU 13 2HD2 LEU 13 0.652 3.108 1.181 118 3HD2 LEU 13 3HD2 LEU 13 1.722 3.268 2.577 119 H LEU 14 H LEU 14 2.860 0.895 5.580 120 HA LEU 14 HA LEU 14 5.360 1.520 4.399 121 1HB LEU 14 1HB LEU 14 4.163 1.755 7.116 122 2HB LEU 14 2HB LEU 14 5.902 1.914 6.960 123 HG LEU 14 HG LEU 14 3.806 3.633 5.639 124 1HD1 LEU 14 1HD1 LEU 14 5.971 4.552 7.488 125 2HD1 LEU 14 2HD1 LEU 14 4.439 5.330 7.084 126 3HD1 LEU 14 3HD1 LEU 14 4.458 3.904 8.123 127 1HD2 LEU 14 1HD2 LEU 14 6.498 3.064 4.824 128 2HD2 LEU 14 2HD2 LEU 14 5.296 4.105 4.064 129 3HD2 LEU 14 3HD2 LEU 14 6.359 4.752 5.313 130 H GLU 15 H GLU 15 4.265 -1.030 6.584 131 HA GLU 15 HA GLU 15 6.726 -2.100 7.320 132 1HB GLU 15 1HB GLU 15 4.152 -3.594 6.778 133 2HB GLU 15 2HB GLU 15 5.523 -4.217 7.685 134 1HG GLU 15 1HG GLU 15 3.897 -1.809 8.463 135 2HG GLU 15 2HG GLU 15 3.677 -3.432 9.112 136 H LEU 16 H LEU 16 4.703 -2.824 4.501 137 HA LEU 16 HA LEU 16 6.566 -4.706 3.406 138 1HB LEU 16 1HB LEU 16 4.080 -3.376 2.366 139 2HB LEU 16 2HB LEU 16 5.074 -4.385 1.334 140 HG LEU 16 HG LEU 16 4.225 -5.572 3.913 141 1HD1 LEU 16 1HD1 LEU 16 2.159 -4.545 3.346 142 2HD1 LEU 16 2HD1 LEU 16 2.327 -4.997 1.650 143 3HD1 LEU 16 3HD1 LEU 16 2.046 -6.239 2.870 144 1HD2 LEU 16 1HD2 LEU 16 3.716 -7.370 1.964 145 2HD2 LEU 16 2HD2 LEU 16 4.979 -6.411 1.195 146 3HD2 LEU 16 3HD2 LEU 16 5.284 -7.184 2.750 147 H LEU 17 H LEU 17 6.340 -1.309 3.432 148 HA LEU 17 HA LEU 17 7.810 -0.949 0.953 149 1HB LEU 17 1HB LEU 17 6.366 0.802 2.845 150 2HB LEU 17 2HB LEU 17 7.733 1.519 2.016 151 HG LEU 17 HG LEU 17 5.422 1.835 0.982 152 1HD1 LEU 17 1HD1 LEU 17 7.686 0.713 -0.655 153 2HD1 LEU 17 2HD1 LEU 17 6.322 1.624 -1.298 154 3HD1 LEU 17 3HD1 LEU 17 7.450 2.395 -0.187 155 1HD2 LEU 17 1HD2 LEU 17 5.165 -0.242 -0.709 156 2HD2 LEU 17 2HD2 LEU 17 5.738 -1.087 0.726 157 3HD2 LEU 17 3HD2 LEU 17 4.279 -0.103 0.807 158 H LYS 18 H LYS 18 8.601 -1.574 4.168 159 HA LYS 18 HA LYS 18 10.537 -1.375 5.375 160 1HB LYS 18 1HB LYS 18 11.286 -1.872 2.607 161 2HB LYS 18 2HB LYS 18 12.527 -0.983 3.477 162 1HG LYS 18 1HG LYS 18 13.089 -2.751 4.746 163 2HG LYS 18 2HG LYS 18 11.416 -3.289 4.916 164 1HD LYS 18 1HD LYS 18 11.737 -4.846 3.361 165 2HD LYS 18 2HD LYS 18 12.202 -3.610 2.192 166 1HE LYS 18 1HE LYS 18 14.239 -4.507 2.205 167 2HE LYS 18 2HE LYS 18 14.425 -3.882 3.841 168 1HZ LYS 18 1HZ LYS 18 14.452 -5.939 4.625 169 2HZ LYS 18 2HZ LYS 18 12.970 -6.305 3.897 170 3HZ LYS 18 3HZ LYS 18 14.411 -6.534 3.041 171 H LEU 19 H LEU 19 9.063 1.037 4.326 172 HA LEU 19 HA LEU 19 11.164 3.067 4.536 173 1HB LEU 19 1HB LEU 19 9.799 3.031 2.473 174 2HB LEU 19 2HB LEU 19 8.356 3.254 3.439 175 HG LEU 19 HG LEU 19 10.351 5.329 3.912 176 1HD1 LEU 19 1HD1 LEU 19 10.928 5.830 1.830 177 2HD1 LEU 19 2HD1 LEU 19 9.947 4.506 1.203 178 3HD1 LEU 19 3HD1 LEU 19 9.228 6.098 1.445 179 1HD2 LEU 19 1HD2 LEU 19 8.140 6.586 3.083 180 2HD2 LEU 19 2HD2 LEU 19 7.438 5.026 3.503 181 3HD2 LEU 19 3HD2 LEU 19 8.324 5.949 4.717 182 HA PRO 20 HA PRO 20 9.663 3.454 8.787 183 1HB PRO 20 1HB PRO 20 11.094 6.045 8.389 184 2HB PRO 20 2HB PRO 20 11.166 4.917 9.747 185 1HG PRO 20 1HG PRO 20 13.119 5.011 7.929 186 2HG PRO 20 2HG PRO 20 12.598 3.474 8.644 187 1HD PRO 20 1HD PRO 20 12.118 4.556 5.925 188 2HD PRO 20 2HD PRO 20 12.235 2.871 6.466 189 H ARG 21 H ARG 21 8.442 5.060 10.012 190 HA ARG 21 HA ARG 21 6.446 6.349 8.335 191 1HB ARG 21 1HB ARG 21 6.495 6.090 11.346 192 2HB ARG 21 2HB ARG 21 5.118 6.532 10.348 193 1HG ARG 21 1HG ARG 21 4.547 4.407 10.137 194 2HG ARG 21 2HG ARG 21 6.128 4.018 9.455 195 1HD ARG 21 1HD ARG 21 6.120 2.666 11.306 196 2HD ARG 21 2HD ARG 21 6.885 4.110 11.961 197 HE ARG 21 HE ARG 21 4.764 4.684 12.973 198 1HH1 ARG 21 1HH1 ARG 21 3.775 0.806 12.792 199 2HH1 ARG 21 2HH1 ARG 21 5.031 1.409 11.766 200 1HH2 ARG 21 1HH2 ARG 21 2.691 2.201 14.233 201 2HH2 ARG 21 2HH2 ARG 21 3.119 3.878 14.313 202 H GLN 22 H GLN 22 9.328 7.240 9.655 203 HA GLN 22 HA GLN 22 8.640 9.831 10.678 204 1HB GLN 22 1HB GLN 22 10.693 8.285 11.202 205 2HB GLN 22 2HB GLN 22 11.402 9.083 9.805 206 1HG GLN 22 1HG GLN 22 11.459 11.145 10.846 207 2HG GLN 22 2HG GLN 22 10.216 10.702 12.015 208 1HE2 GLN 22 1HE2 GLN 22 12.842 10.429 14.290 209 2HE2 GLN 22 2HE2 GLN 22 11.471 11.336 13.760 210 H LEU 23 H LEU 23 9.728 8.504 7.647 211 HA LEU 23 HA LEU 23 9.848 11.191 6.491 212 1HB LEU 23 1HB LEU 23 11.166 10.321 4.729 213 2HB LEU 23 2HB LEU 23 11.818 9.687 6.222 214 HG LEU 23 HG LEU 23 11.913 7.955 4.589 215 1HD1 LEU 23 1HD1 LEU 23 11.135 7.327 6.893 216 2HD1 LEU 23 2HD1 LEU 23 9.499 7.286 6.241 217 3HD1 LEU 23 3HD1 LEU 23 10.721 6.182 5.613 218 1HD2 LEU 23 1HD2 LEU 23 10.267 7.353 3.126 219 2HD2 LEU 23 2HD2 LEU 23 8.975 7.964 4.157 220 3HD2 LEU 23 3HD2 LEU 23 9.991 9.087 3.255 221 H TRP 24 H TRP 24 7.482 9.229 7.065 222 HA TRP 24 HA TRP 24 6.268 8.478 4.680 223 1HB TRP 24 1HB TRP 24 5.393 7.703 6.770 224 2HB TRP 24 2HB TRP 24 5.098 9.343 7.327 225 HD1 TRP 24 HD1 TRP 24 2.877 10.544 6.490 226 HE1 TRP 24 HE1 TRP 24 0.729 9.645 5.393 227 HE3 TRP 24 HE3 TRP 24 4.551 5.926 5.090 228 HZ2 TRP 24 HZ2 TRP 24 -0.142 7.284 4.107 229 HZ3 TRP 24 HZ3 TRP 24 2.999 4.404 3.930 230 HH2 TRP 24 HH2 TRP 24 0.702 5.075 3.448 231 H GLY 25 H GLY 25 6.481 10.018 3.065 232 1HA GLY 25 1HA GLY 25 4.441 11.799 2.615 233 2HA GLY 25 2HA GLY 25 5.682 12.745 3.424 234 H ASP 26 H ASP 26 7.869 11.207 2.239 235 HA ASP 26 HA ASP 26 8.159 12.722 -0.165 236 1HB ASP 26 1HB ASP 26 9.974 11.939 1.538 237 2HB ASP 26 2HB ASP 26 9.971 10.452 0.593 238 H PHE 27 H PHE 27 6.671 12.083 -1.694 239 HA PHE 27 HA PHE 27 5.864 9.522 -2.315 240 1HB PHE 27 1HB PHE 27 4.782 11.526 -3.221 241 2HB PHE 27 2HB PHE 27 6.184 11.822 -4.244 242 HD1 PHE 27 HD1 PHE 27 3.719 9.127 -3.494 243 HD2 PHE 27 HD2 PHE 27 6.127 11.067 -6.416 244 HE1 PHE 27 HE1 PHE 27 2.745 7.694 -5.241 245 HE2 PHE 27 HE2 PHE 27 5.156 9.638 -8.169 246 HZ PHE 27 HZ PHE 27 3.463 7.949 -7.582 247 H GLY 28 H GLY 28 8.799 11.171 -3.250 248 1HA GLY 28 1HA GLY 28 9.541 9.409 -5.346 249 2HA GLY 28 2HA GLY 28 10.613 10.502 -4.489 250 H ARG 29 H ARG 29 10.232 9.400 -1.875 251 HA ARG 29 HA ARG 29 12.052 7.184 -2.104 252 1HB ARG 29 1HB ARG 29 10.949 8.798 0.156 253 2HB ARG 29 2HB ARG 29 11.702 7.248 0.502 254 1HG ARG 29 1HG ARG 29 13.692 8.113 -0.841 255 2HG ARG 29 2HG ARG 29 12.938 9.701 -0.699 256 1HD ARG 29 1HD ARG 29 12.858 9.240 1.811 257 2HD ARG 29 2HD ARG 29 13.972 7.913 1.483 258 HE ARG 29 HE ARG 29 14.586 10.707 1.539 259 1HH1 ARG 29 1HH1 ARG 29 17.125 8.128 -0.181 260 2HH1 ARG 29 2HH1 ARG 29 15.492 7.643 0.133 261 1HH2 ARG 29 1HH2 ARG 29 17.830 10.228 0.384 262 2HH2 ARG 29 2HH2 ARG 29 16.735 11.346 1.126 263 H MET 30 H MET 30 8.671 7.613 -1.161 264 HA MET 30 HA MET 30 8.294 5.005 -0.147 265 1HB MET 30 1HB MET 30 5.896 5.436 -0.385 266 2HB MET 30 2HB MET 30 6.722 6.807 0.340 267 1HG MET 30 1HG MET 30 6.678 7.983 -1.773 268 2HG MET 30 2HG MET 30 5.910 6.599 -2.548 269 1HE MET 30 1HE MET 30 3.904 8.942 0.863 270 2HE MET 30 2HE MET 30 4.634 7.365 1.164 271 3HE MET 30 3HE MET 30 5.639 8.715 0.635 272 H GLN 31 H GLN 31 7.684 6.380 -3.377 273 HA GLN 31 HA GLN 31 6.688 4.011 -4.525 274 1HB GLN 31 1HB GLN 31 6.732 6.496 -5.403 275 2HB GLN 31 2HB GLN 31 8.226 5.976 -6.171 276 1HG GLN 31 1HG GLN 31 6.982 4.132 -7.247 277 2HG GLN 31 2HG GLN 31 5.496 4.770 -6.550 278 1HE2 GLN 31 1HE2 GLN 31 5.250 6.253 -9.743 279 2HE2 GLN 31 2HE2 GLN 31 4.824 4.868 -8.803 280 H GLN 32 H GLN 32 9.955 5.293 -4.186 281 HA GLN 32 HA GLN 32 11.295 3.485 -5.851 282 1HB GLN 32 1HB GLN 32 12.348 5.501 -4.907 283 2HB GLN 32 2HB GLN 32 12.285 4.782 -3.304 284 1HG GLN 32 1HG GLN 32 13.820 3.050 -3.967 285 2HG GLN 32 2HG GLN 32 13.810 3.637 -5.630 286 1HE2 GLN 32 1HE2 GLN 32 16.845 4.878 -3.911 287 2HE2 GLN 32 2HE2 GLN 32 16.153 3.327 -4.227 288 H ALA 33 H ALA 33 10.072 3.185 -2.598 289 HA ALA 33 HA ALA 33 11.415 0.675 -2.097 290 1HB ALA 33 1HB ALA 33 9.762 0.724 -0.085 291 2HB ALA 33 2HB ALA 33 11.123 1.843 -0.129 292 3HB ALA 33 3HB ALA 33 9.510 2.399 -0.573 293 H TYR 34 H TYR 34 8.162 1.782 -2.934 294 HA TYR 34 HA TYR 34 6.799 -0.638 -2.684 295 1HB TYR 34 1HB TYR 34 5.686 1.541 -3.077 296 2HB TYR 34 2HB TYR 34 6.298 1.539 -4.728 297 HD1 TYR 34 HD1 TYR 34 3.599 0.608 -2.616 298 HD2 TYR 34 HD2 TYR 34 5.626 -0.490 -6.196 299 HE1 TYR 34 HE1 TYR 34 1.625 -0.667 -3.346 300 HE2 TYR 34 HE2 TYR 34 3.652 -1.755 -6.934 301 HH TYR 34 HH TYR 34 1.590 -2.934 -5.520 302 H LYS 35 H LYS 35 8.451 0.740 -5.513 303 HA LYS 35 HA LYS 35 7.919 -1.420 -7.249 304 1HB LYS 35 1HB LYS 35 9.881 0.842 -7.242 305 2HB LYS 35 2HB LYS 35 10.054 -0.450 -8.422 306 1HG LYS 35 1HG LYS 35 8.177 0.147 -9.562 307 2HG LYS 35 2HG LYS 35 7.384 0.805 -8.131 308 1HD LYS 35 1HD LYS 35 7.883 2.687 -9.427 309 2HD LYS 35 2HD LYS 35 9.168 2.642 -8.220 310 1HE LYS 35 1HE LYS 35 10.689 1.654 -9.804 311 2HE LYS 35 2HE LYS 35 9.404 1.503 -11.002 312 1HZ LYS 35 1HZ LYS 35 10.196 4.132 -9.906 313 2HZ LYS 35 2HZ LYS 35 10.997 3.450 -11.229 314 3HZ LYS 35 3HZ LYS 35 9.345 3.797 -11.330 315 H GLN 36 H GLN 36 10.610 -0.707 -5.073 316 HA GLN 36 HA GLN 36 12.319 -2.787 -5.857 317 1HB GLN 36 1HB GLN 36 12.000 -1.128 -3.398 318 2HB GLN 36 2HB GLN 36 13.011 -2.563 -3.304 319 1HG GLN 36 1HG GLN 36 14.240 -1.662 -5.321 320 2HG GLN 36 2HG GLN 36 13.371 -0.152 -5.051 321 1HE2 GLN 36 1HE2 GLN 36 14.973 0.130 -1.721 322 2HE2 GLN 36 2HE2 GLN 36 13.357 -0.076 -2.293 323 H GLN 37 H GLN 37 9.859 -2.669 -3.296 324 HA GLN 37 HA GLN 37 10.215 -5.450 -2.631 325 1HB GLN 37 1HB GLN 37 8.088 -3.473 -1.799 326 2HB GLN 37 2HB GLN 37 8.336 -5.062 -1.086 327 1HG GLN 37 1HG GLN 37 10.369 -2.843 -1.084 328 2HG GLN 37 2HG GLN 37 9.290 -3.219 0.255 329 1HE2 GLN 37 1HE2 GLN 37 10.931 -6.458 0.756 330 2HE2 GLN 37 2HE2 GLN 37 9.336 -5.882 0.427 331 H SER 38 H SER 38 8.383 -3.692 -4.920 332 HA SER 38 HA SER 38 6.186 -5.478 -5.183 333 1HB SER 38 1HB SER 38 7.245 -3.149 -6.635 334 2HB SER 38 2HB SER 38 6.437 -4.331 -7.665 335 HG SER 38 HG SER 38 5.388 -2.938 -5.438 336 H LEU 39 H LEU 39 9.440 -5.385 -6.415 337 HA LEU 39 HA LEU 39 9.125 -7.276 -8.503 338 1HB LEU 39 1HB LEU 39 11.403 -6.051 -7.043 339 2HB LEU 39 2HB LEU 39 11.718 -7.544 -7.905 340 HG LEU 39 HG LEU 39 10.270 -5.644 -9.559 341 1HD1 LEU 39 1HD1 LEU 39 11.456 -4.002 -8.182 342 2HD1 LEU 39 2HD1 LEU 39 12.984 -4.803 -8.549 343 3HD1 LEU 39 3HD1 LEU 39 12.061 -4.029 -9.838 344 1HD2 LEU 39 1HD2 LEU 39 11.528 -6.568 -11.176 345 2HD2 LEU 39 2HD2 LEU 39 13.016 -6.442 -10.237 346 3HD2 LEU 39 3HD2 LEU 39 11.899 -7.774 -9.943 347 H LEU 40 H LEU 40 10.045 -7.545 -5.096 348 HA LEU 40 HA LEU 40 10.453 -10.387 -5.288 349 1HB LEU 40 1HB LEU 40 10.559 -10.207 -2.741 350 2HB LEU 40 2HB LEU 40 11.811 -9.414 -3.672 351 HG LEU 40 HG LEU 40 9.817 -7.472 -3.274 352 1HD1 LEU 40 1HD1 LEU 40 9.321 -9.314 -1.374 353 2HD1 LEU 40 2HD1 LEU 40 10.542 -8.337 -0.558 354 3HD1 LEU 40 3HD1 LEU 40 9.064 -7.584 -1.156 355 1HD2 LEU 40 1HD2 LEU 40 12.618 -7.964 -2.583 356 2HD2 LEU 40 2HD2 LEU 40 11.841 -6.511 -3.206 357 3HD2 LEU 40 3HD2 LEU 40 11.783 -6.870 -1.482 358 H LEU 41 H LEU 41 7.734 -8.429 -5.067 359 HA LEU 41 HA LEU 41 6.155 -10.411 -3.611 360 1HB LEU 41 1HB LEU 41 5.713 -7.583 -4.464 361 2HB LEU 41 2HB LEU 41 4.322 -8.605 -4.153 362 HG LEU 41 HG LEU 41 6.468 -8.414 -2.083 363 1HD1 LEU 41 1HD1 LEU 41 4.795 -6.211 -3.011 364 2HD1 LEU 41 2HD1 LEU 41 4.636 -6.543 -1.286 365 3HD1 LEU 41 3HD1 LEU 41 6.222 -6.196 -1.975 366 1HD2 LEU 41 1HD2 LEU 41 3.479 -8.596 -1.802 367 2HD2 LEU 41 2HD2 LEU 41 4.520 -10.010 -1.974 368 3HD2 LEU 41 3HD2 LEU 41 4.711 -8.937 -0.587 369 H HIS 42 H HIS 42 7.152 -9.993 -6.717 370 HA HIS 42 HA HIS 42 4.696 -10.561 -8.093 371 1HB HIS 42 1HB HIS 42 6.815 -9.319 -8.969 372 2HB HIS 42 2HB HIS 42 7.428 -10.937 -9.282 373 HD1 HIS 42 HD1 HIS 42 4.424 -8.792 -10.195 374 HD2 HIS 42 HD2 HIS 42 6.662 -11.958 -11.667 375 HE1 HIS 42 HE1 HIS 42 3.514 -9.247 -12.496 376 HE2 HIS 42 HE2 HIS 42 4.815 -11.240 -13.321 377 HA PRO 43 HA PRO 43 4.628 -14.933 -7.540 378 1HB PRO 43 1HB PRO 43 3.459 -15.657 -9.931 379 2HB PRO 43 2HB PRO 43 2.583 -15.071 -8.514 380 1HG PRO 43 1HG PRO 43 3.424 -13.597 -10.969 381 2HG PRO 43 2HG PRO 43 1.923 -13.464 -10.037 382 1HD PRO 43 1HD PRO 43 3.897 -11.648 -9.834 383 2HD PRO 43 2HD PRO 43 2.889 -12.088 -8.445 384 H ASP 44 H ASP 44 6.427 -13.490 -10.098 385 HA ASP 44 HA ASP 44 7.465 -16.040 -11.035 386 1HB ASP 44 1HB ASP 44 7.450 -13.309 -12.035 387 2HB ASP 44 2HB ASP 44 9.041 -14.045 -12.165 388 H LYS 45 H LYS 45 8.284 -13.571 -8.771 389 HA LYS 45 HA LYS 45 11.005 -14.638 -8.500 390 1HB LYS 45 1HB LYS 45 9.737 -12.081 -7.517 391 2HB LYS 45 2HB LYS 45 11.336 -12.615 -7.013 392 1HG LYS 45 1HG LYS 45 11.669 -11.061 -8.752 393 2HG LYS 45 2HG LYS 45 11.967 -12.655 -9.449 394 1HD LYS 45 1HD LYS 45 9.850 -12.669 -10.534 395 2HD LYS 45 2HD LYS 45 9.316 -11.244 -9.641 396 1HE LYS 45 1HE LYS 45 9.900 -10.609 -11.896 397 2HE LYS 45 2HE LYS 45 11.066 -9.920 -10.767 398 1HZ LYS 45 1HZ LYS 45 12.635 -10.849 -12.005 399 2HZ LYS 45 2HZ LYS 45 12.098 -12.367 -11.488 400 3HZ LYS 45 3HZ LYS 45 11.505 -11.708 -12.929 401 H GLY 46 H GLY 46 8.541 -15.975 -7.557 402 1HA GLY 46 1HA GLY 46 8.080 -17.343 -5.755 403 2HA GLY 46 2HA GLY 46 9.496 -16.685 -4.949 404 H GLY 47 H GLY 47 7.003 -14.578 -6.163 405 1HA GLY 47 1HA GLY 47 6.486 -13.680 -3.441 406 2HA GLY 47 2HA GLY 47 5.959 -12.887 -4.917 407 H SER 48 H SER 48 4.297 -13.270 -2.689 408 HA SER 48 HA SER 48 2.559 -15.513 -3.334 409 1HB SER 48 1HB SER 48 2.906 -13.686 -1.040 410 2HB SER 48 2HB SER 48 1.242 -14.168 -1.369 411 HG SER 48 HG SER 48 3.017 -15.549 -0.079 412 H HIS 49 H HIS 49 0.278 -15.225 -3.719 413 HA HIS 49 HA HIS 49 -0.217 -13.028 -5.529 414 1HB HIS 49 1HB HIS 49 -1.602 -15.578 -4.834 415 2HB HIS 49 2HB HIS 49 -2.553 -14.289 -5.564 416 HD1 HIS 49 HD1 HIS 49 -2.109 -16.915 -7.079 417 HD2 HIS 49 HD2 HIS 49 0.317 -13.565 -7.484 418 HE1 HIS 49 HE1 HIS 49 -1.007 -17.150 -9.328 419 HE2 HIS 49 HE2 HIS 49 0.496 -15.139 -9.529 420 H ALA 50 H ALA 50 -1.433 -14.156 -2.408 421 HA ALA 50 HA ALA 50 -3.478 -12.209 -2.159 422 1HB ALA 50 1HB ALA 50 -2.046 -13.862 -0.088 423 2HB ALA 50 2HB ALA 50 -3.437 -12.833 0.254 424 3HB ALA 50 3HB ALA 50 -3.602 -14.204 -0.845 425 H LEU 51 H LEU 51 -0.061 -12.193 -1.498 426 HA LEU 51 HA LEU 51 -0.088 -9.874 0.176 427 1HB LEU 51 1HB LEU 51 1.939 -11.644 -1.024 428 2HB LEU 51 2HB LEU 51 2.454 -9.989 -0.774 429 HG LEU 51 HG LEU 51 1.442 -11.888 1.338 430 1HD1 LEU 51 1HD1 LEU 51 3.760 -11.472 2.249 431 2HD1 LEU 51 2HD1 LEU 51 3.670 -12.443 0.779 432 3HD1 LEU 51 3HD1 LEU 51 4.147 -10.749 0.689 433 1HD2 LEU 51 1HD2 LEU 51 2.078 -8.959 1.421 434 2HD2 LEU 51 2HD2 LEU 51 0.655 -9.800 2.032 435 3HD2 LEU 51 3HD2 LEU 51 2.203 -9.972 2.858 436 H MET 52 H MET 52 0.874 -10.446 -3.207 437 HA MET 52 HA MET 52 1.610 -7.891 -3.909 438 1HB MET 52 1HB MET 52 1.722 -9.997 -5.322 439 2HB MET 52 2HB MET 52 0.038 -9.701 -5.733 440 1HG MET 52 1HG MET 52 1.436 -8.854 -7.482 441 2HG MET 52 2HG MET 52 0.679 -7.501 -6.644 442 1HE MET 52 1HE MET 52 1.872 -5.496 -6.365 443 2HE MET 52 2HE MET 52 2.115 -6.026 -4.701 444 3HE MET 52 3HE MET 52 3.454 -5.327 -5.608 445 H GLN 53 H GLN 53 -1.594 -9.127 -3.350 446 HA GLN 53 HA GLN 53 -2.902 -6.868 -4.592 447 1HB GLN 53 1HB GLN 53 -4.153 -8.916 -2.763 448 2HB GLN 53 2HB GLN 53 -4.961 -7.893 -3.943 449 1HG GLN 53 1HG GLN 53 -2.888 -9.854 -4.818 450 2HG GLN 53 2HG GLN 53 -4.536 -10.382 -4.488 451 1HE2 GLN 53 1HE2 GLN 53 -3.739 -7.983 -7.701 452 2HE2 GLN 53 2HE2 GLN 53 -2.657 -8.048 -6.356 453 H GLU 54 H GLU 54 -2.055 -7.935 -1.353 454 HA GLU 54 HA GLU 54 -3.540 -6.094 0.132 455 1HB GLU 54 1HB GLU 54 -1.347 -7.932 0.601 456 2HB GLU 54 2HB GLU 54 -1.152 -6.457 1.539 457 1HG GLU 54 1HG GLU 54 -3.697 -8.050 1.518 458 2HG GLU 54 2HG GLU 54 -2.384 -8.346 2.657 459 H LEU 55 H LEU 55 -0.131 -5.870 -0.902 460 HA LEU 55 HA LEU 55 0.239 -3.234 0.025 461 1HB LEU 55 1HB LEU 55 2.133 -4.625 -0.307 462 2HB LEU 55 2HB LEU 55 1.702 -4.931 -1.977 463 HG LEU 55 HG LEU 55 2.086 -2.411 -2.336 464 1HD1 LEU 55 1HD1 LEU 55 2.374 -2.386 0.379 465 2HD1 LEU 55 2HD1 LEU 55 4.049 -2.433 -0.172 466 3HD1 LEU 55 3HD1 LEU 55 2.977 -1.145 -0.721 467 1HD2 LEU 55 1HD2 LEU 55 3.731 -4.670 -2.468 468 2HD2 LEU 55 2HD2 LEU 55 3.924 -3.146 -3.335 469 3HD2 LEU 55 3HD2 LEU 55 4.728 -3.387 -1.784 470 H ASN 56 H ASN 56 -0.749 -4.541 -3.110 471 HA ASN 56 HA ASN 56 -0.606 -2.127 -4.555 472 1HB ASN 56 1HB ASN 56 -1.064 -4.672 -5.274 473 2HB ASN 56 2HB ASN 56 -2.722 -4.080 -5.287 474 1HD2 ASN 56 1HD2 ASN 56 -0.139 -3.131 -8.220 475 2HD2 ASN 56 2HD2 ASN 56 0.287 -4.137 -6.883 476 H SER 57 H SER 57 -3.265 -3.663 -2.784 477 HA SER 57 HA SER 57 -5.196 -1.685 -3.411 478 1HB SER 57 1HB SER 57 -5.050 -4.080 -1.766 479 2HB SER 57 2HB SER 57 -5.970 -2.802 -0.974 480 HG SER 57 HG SER 57 -6.581 -4.293 -3.199 481 H LEU 58 H LEU 58 -2.696 -1.929 -1.014 482 HA LEU 58 HA LEU 58 -3.748 0.170 0.651 483 1HB LEU 58 1HB LEU 58 -1.363 -1.584 0.659 484 2HB LEU 58 2HB LEU 58 -1.201 -0.037 1.464 485 HG LEU 58 HG LEU 58 -3.236 -2.170 2.107 486 1HD1 LEU 58 1HD1 LEU 58 -0.948 -2.693 2.820 487 2HD1 LEU 58 2HD1 LEU 58 -0.875 -1.156 3.683 488 3HD1 LEU 58 3HD1 LEU 58 -2.019 -2.399 4.190 489 1HD2 LEU 58 1HD2 LEU 58 -3.000 -0.116 4.089 490 2HD2 LEU 58 2HD2 LEU 58 -3.380 0.615 2.532 491 3HD2 LEU 58 3HD2 LEU 58 -4.425 -0.640 3.194 492 H TRP 59 H TRP 59 -1.557 -0.084 -2.046 493 HA TRP 59 HA TRP 59 -0.530 2.602 -1.674 494 1HB TRP 59 1HB TRP 59 1.019 0.962 -2.500 495 2HB TRP 59 2HB TRP 59 -0.076 0.494 -3.791 496 HD1 TRP 59 HD1 TRP 59 0.318 1.606 -6.062 497 HE1 TRP 59 HE1 TRP 59 1.755 3.558 -6.926 498 HE3 TRP 59 HE3 TRP 59 1.970 3.453 -1.588 499 HZ2 TRP 59 HZ2 TRP 59 3.384 5.601 -5.855 500 HZ3 TRP 59 HZ3 TRP 59 3.468 5.397 -1.600 501 HH2 TRP 59 HH2 TRP 59 4.157 6.452 -3.688 502 H GLY 60 H GLY 60 -3.055 0.965 -3.378 503 1HA GLY 60 1HA GLY 60 -3.483 2.908 -5.417 504 2HA GLY 60 2HA GLY 60 -4.627 1.681 -4.900 505 H THR 61 H THR 61 -5.540 2.174 -2.574 506 HA THR 61 HA THR 61 -7.128 4.455 -2.713 507 HB THR 61 HB THR 61 -7.032 2.323 -1.062 508 HG1 THR 61 HG1 THR 61 -8.742 3.285 0.009 509 1HG2 THR 61 1HG2 THR 61 -6.000 2.536 0.846 510 2HG2 THR 61 2HG2 THR 61 -5.342 4.076 0.323 511 3HG2 THR 61 3HG2 THR 61 -6.880 4.024 1.172 512 H PHE 62 H PHE 62 -4.152 3.808 -1.062 513 HA PHE 62 HA PHE 62 -3.585 6.188 0.230 514 1HB PHE 62 1HB PHE 62 -2.203 4.168 0.382 515 2HB PHE 62 2HB PHE 62 -1.732 4.354 -1.305 516 HD1 PHE 62 HD1 PHE 62 0.598 4.218 -0.623 517 HD2 PHE 62 HD2 PHE 62 -1.942 7.335 0.772 518 HE1 PHE 62 HE1 PHE 62 2.570 5.510 0.070 519 HE2 PHE 62 HE2 PHE 62 0.030 8.634 1.466 520 HZ PHE 62 HZ PHE 62 2.290 7.714 1.109 521 H LYS 63 H LYS 63 -2.753 5.206 -3.045 522 HA LYS 63 HA LYS 63 -1.501 7.478 -3.967 523 1HB LYS 63 1HB LYS 63 -2.515 5.060 -5.027 524 2HB LYS 63 2HB LYS 63 -3.142 6.342 -6.029 525 1HG LYS 63 1HG LYS 63 -0.869 7.166 -6.408 526 2HG LYS 63 2HG LYS 63 -0.242 5.864 -5.394 527 1HD LYS 63 1HD LYS 63 -1.762 5.545 -7.982 528 2HD LYS 63 2HD LYS 63 -0.033 5.291 -7.748 529 1HE LYS 63 1HE LYS 63 -0.462 3.168 -7.259 530 2HE LYS 63 2HE LYS 63 -1.322 3.702 -5.816 531 1HZ LYS 63 1HZ LYS 63 -2.718 2.295 -7.176 532 2HZ LYS 63 2HZ LYS 63 -3.343 3.867 -7.163 533 3HZ LYS 63 3HZ LYS 63 -2.500 3.303 -8.518 534 H THR 64 H THR 64 -4.983 6.764 -3.840 535 HA THR 64 HA THR 64 -5.965 8.904 -5.297 536 HB THR 64 HB THR 64 -7.107 7.781 -2.725 537 HG1 THR 64 HG1 THR 64 -8.335 6.493 -4.160 538 1HG2 THR 64 1HG2 THR 64 -8.021 10.011 -3.797 539 2HG2 THR 64 2HG2 THR 64 -8.829 8.868 -4.871 540 3HG2 THR 64 3HG2 THR 64 -9.096 8.782 -3.131 541 H GLU 65 H GLU 65 -4.737 8.760 -2.027 542 HA GLU 65 HA GLU 65 -5.261 11.563 -1.511 543 1HB GLU 65 1HB GLU 65 -3.499 9.798 0.171 544 2HB GLU 65 2HB GLU 65 -4.466 11.177 0.671 545 1HG GLU 65 1HG GLU 65 -5.940 8.869 -0.427 546 2HG GLU 65 2HG GLU 65 -5.157 8.639 1.135 547 H VAL 66 H VAL 66 -2.658 9.471 -2.529 548 HA VAL 66 HA VAL 66 -0.455 11.051 -2.084 549 HB VAL 66 HB VAL 66 -1.000 9.158 -4.348 550 1HG1 VAL 66 1HG1 VAL 66 0.766 10.964 -4.841 551 2HG1 VAL 66 2HG1 VAL 66 1.736 10.150 -3.616 552 3HG1 VAL 66 3HG1 VAL 66 1.223 9.277 -5.059 553 1HG2 VAL 66 1HG2 VAL 66 0.390 7.640 -3.079 554 2HG2 VAL 66 2HG2 VAL 66 0.730 8.899 -1.890 555 3HG2 VAL 66 3HG2 VAL 66 -0.902 8.250 -2.045 556 H TYR 67 H TYR 67 -2.604 11.065 -4.911 557 HA TYR 67 HA TYR 67 -1.330 13.034 -6.394 558 1HB TYR 67 1HB TYR 67 -4.176 12.128 -6.175 559 2HB TYR 67 2HB TYR 67 -3.803 13.560 -7.127 560 HD1 TYR 67 HD1 TYR 67 -3.872 13.057 -9.377 561 HD2 TYR 67 HD2 TYR 67 -2.110 10.251 -6.709 562 HE1 TYR 67 HE1 TYR 67 -3.265 11.632 -11.286 563 HE2 TYR 67 HE2 TYR 67 -1.496 8.818 -8.610 564 HH TYR 67 HH TYR 67 -1.075 9.097 -11.065 565 H ASN 68 H ASN 68 -3.235 13.269 -3.511 566 HA ASN 68 HA ASN 68 -3.487 16.161 -3.709 567 1HB ASN 68 1HB ASN 68 -4.650 14.030 -1.995 568 2HB ASN 68 2HB ASN 68 -4.465 15.624 -1.265 569 1HD2 ASN 68 1HD2 ASN 68 -7.517 14.875 -3.687 570 2HD2 ASN 68 2HD2 ASN 68 -6.469 13.674 -3.019 571 H LEU 69 H LEU 69 -1.516 13.758 -2.136 572 HA LEU 69 HA LEU 69 -0.489 15.492 -0.121 573 1HB LEU 69 1HB LEU 69 0.799 13.734 0.604 574 2HB LEU 69 2HB LEU 69 -0.540 12.909 -0.159 575 HG LEU 69 HG LEU 69 0.961 12.667 -2.207 576 1HD1 LEU 69 1HD1 LEU 69 3.446 12.594 -1.037 577 2HD1 LEU 69 2HD1 LEU 69 2.863 13.834 -2.147 578 3HD1 LEU 69 3HD1 LEU 69 2.753 14.085 -0.405 579 1HD2 LEU 69 1HD2 LEU 69 2.144 11.236 0.123 580 2HD2 LEU 69 2HD2 LEU 69 0.441 10.990 -0.263 581 3HD2 LEU 69 3HD2 LEU 69 1.678 10.618 -1.462 582 H ARG 70 H ARG 70 0.033 15.385 -3.433 583 HA ARG 70 HA ARG 70 2.789 16.011 -3.520 584 1HB ARG 70 1HB ARG 70 0.763 16.829 -5.588 585 2HB ARG 70 2HB ARG 70 2.481 16.544 -5.825 586 1HG ARG 70 1HG ARG 70 0.645 14.352 -4.936 587 2HG ARG 70 2HG ARG 70 0.837 14.766 -6.638 588 1HD ARG 70 1HD ARG 70 3.399 14.584 -6.023 589 2HD ARG 70 2HD ARG 70 2.776 13.547 -4.741 590 HE ARG 70 HE ARG 70 2.488 11.931 -6.312 591 1HH1 ARG 70 1HH1 ARG 70 2.187 14.336 -9.501 592 2HH1 ARG 70 2HH1 ARG 70 2.371 15.026 -7.924 593 1HH2 ARG 70 1HH2 ARG 70 2.115 12.067 -9.764 594 2HH2 ARG 70 2HH2 ARG 70 2.245 11.026 -8.386 595 H MET 71 H MET 71 0.466 17.714 -2.127 596 HA MET 71 HA MET 71 1.630 20.319 -2.832 597 1HB MET 71 1HB MET 71 -1.118 19.495 -1.985 598 2HB MET 71 2HB MET 71 -0.558 21.119 -1.606 599 1HG MET 71 1HG MET 71 -0.706 21.811 -3.733 600 2HG MET 71 2HG MET 71 -0.130 20.277 -4.383 601 1HE MET 71 1HE MET 71 -1.809 21.766 -5.870 602 2HE MET 71 2HE MET 71 -2.646 20.350 -6.505 603 3HE MET 71 3HE MET 71 -3.566 21.659 -5.762 604 H ASN 72 H ASN 72 0.370 18.422 -0.104 605 HA ASN 72 HA ASN 72 1.461 20.213 1.857 606 1HB ASN 72 1HB ASN 72 0.371 17.411 2.201 607 2HB ASN 72 2HB ASN 72 0.678 18.567 3.492 608 1HD2 ASN 72 1HD2 ASN 72 -2.449 19.977 3.265 609 2HD2 ASN 72 2HD2 ASN 72 -1.016 19.643 4.173 610 H LEU 73 H LEU 73 3.301 20.009 3.049 611 HA LEU 73 HA LEU 73 5.253 18.059 2.074 612 1HB LEU 73 1HB LEU 73 5.477 20.733 2.537 613 2HB LEU 73 2HB LEU 73 6.111 20.080 4.035 614 HG LEU 73 HG LEU 73 7.140 19.083 1.402 615 1HD1 LEU 73 1HD1 LEU 73 7.205 21.627 1.543 616 2HD1 LEU 73 2HD1 LEU 73 8.363 21.407 2.855 617 3HD1 LEU 73 3HD1 LEU 73 8.731 20.796 1.243 618 1HD2 LEU 73 1HD2 LEU 73 7.796 17.821 3.331 619 2HD2 LEU 73 2HD2 LEU 73 9.186 18.758 2.782 620 3HD2 LEU 73 3HD2 LEU 73 8.265 19.287 4.190 621 H GLY 74 H GLY 74 3.029 17.478 4.021 622 1HA GLY 74 1HA GLY 74 3.851 15.504 5.525 623 2HA GLY 74 2HA GLY 74 4.560 16.829 6.436 624 H GLY 75 H GLY 75 2.825 15.196 7.718 625 1HA GLY 75 1HA GLY 75 0.707 17.050 8.395 626 2HA GLY 75 2HA GLY 75 0.152 15.530 7.712 627 H THR 76 H THR 76 -0.822 14.666 9.476 628 HA THR 76 HA THR 76 0.257 14.745 12.095 629 HB THR 76 HB THR 76 -1.715 12.696 11.104 630 HG1 THR 76 HG1 THR 76 -2.321 15.343 11.903 631 1HG2 THR 76 1HG2 THR 76 -0.828 12.745 13.518 632 2HG2 THR 76 2HG2 THR 76 -1.843 14.177 13.691 633 3HG2 THR 76 3HG2 THR 76 -2.568 12.632 13.247 634 H GLY 77 H GLY 77 1.144 13.053 13.347 635 1HA GLY 77 1HA GLY 77 2.240 10.787 11.814 636 2HA GLY 77 2HA GLY 77 3.298 11.767 12.819 637 H PHE 78 H PHE 78 2.140 12.098 15.132 638 HA PHE 78 HA PHE 78 2.164 9.487 16.298 639 1HB PHE 78 1HB PHE 78 2.604 12.108 17.199 640 2HB PHE 78 2HB PHE 78 1.199 11.542 18.095 641 HD1 PHE 78 HD1 PHE 78 1.465 10.171 19.947 642 HD2 PHE 78 HD2 PHE 78 4.674 10.600 17.186 643 HE1 PHE 78 HE1 PHE 78 2.938 8.923 21.472 644 HE2 PHE 78 HE2 PHE 78 6.154 9.351 18.704 645 HZ PHE 78 HZ PHE 78 5.285 8.510 20.851 646 H GLN 79 H GLN 79 0.494 8.421 17.388 647 HA GLN 79 HA GLN 79 -2.159 9.023 16.347 648 1HB GLN 79 1HB GLN 79 -0.771 6.660 16.805 649 2HB GLN 79 2HB GLN 79 -1.972 6.699 18.089 650 1HG GLN 79 1HG GLN 79 -3.754 6.696 16.587 651 2HG GLN 79 2HG GLN 79 -2.732 7.184 15.236 652 1HE2 GLN 79 1HE2 GLN 79 -2.869 3.277 16.423 653 2HE2 GLN 79 2HE2 GLN 79 -3.361 4.546 17.488 Start of MODEL 12 1 1H MET 1 1H MET 1 -18.434 4.647 -0.937 2 2H MET 1 2H MET 1 -18.842 3.525 -2.170 3 3H MET 1 3H MET 1 -17.274 3.504 -1.471 4 HA MET 1 HA MET 1 -17.585 4.549 -3.732 5 1HB MET 1 1HB MET 1 -18.990 6.412 -1.865 6 2HB MET 1 2HB MET 1 -18.085 7.098 -3.209 7 1HG MET 1 1HG MET 1 -20.204 6.890 -4.083 8 2HG MET 1 2HG MET 1 -19.412 5.423 -4.654 9 1HE MET 1 1HE MET 1 -21.279 4.432 -5.313 10 2HE MET 1 2HE MET 1 -21.219 2.976 -4.320 11 3HE MET 1 3HE MET 1 -22.699 3.934 -4.392 12 H ASP 2 H ASP 2 -16.924 6.625 -0.908 13 HA ASP 2 HA ASP 2 -14.449 7.539 -1.812 14 1HB ASP 2 1HB ASP 2 -16.035 8.179 0.279 15 2HB ASP 2 2HB ASP 2 -14.783 7.272 1.120 16 H ARG 3 H ARG 3 -12.308 7.105 -0.785 17 HA ARG 3 HA ARG 3 -11.978 4.387 0.216 18 1HB ARG 3 1HB ARG 3 -11.292 5.254 -2.484 19 2HB ARG 3 2HB ARG 3 -9.918 4.573 -1.632 20 1HG ARG 3 1HG ARG 3 -12.501 3.103 -1.568 21 2HG ARG 3 2HG ARG 3 -11.531 3.062 -3.041 22 1HD ARG 3 1HD ARG 3 -10.045 1.663 -2.133 23 2HD ARG 3 2HD ARG 3 -9.936 2.616 -0.659 24 HE ARG 3 HE ARG 3 -11.662 1.339 0.282 25 1HH1 ARG 3 1HH1 ARG 3 -11.654 -1.268 -2.760 26 2HH1 ARG 3 2HH1 ARG 3 -10.874 0.265 -2.954 27 1HH2 ARG 3 1HH2 ARG 3 -12.676 -1.802 -0.791 28 2HH2 ARG 3 2HH2 ARG 3 -12.678 -0.676 0.525 29 H VAL 4 H VAL 4 -11.293 5.270 2.167 30 HA VAL 4 HA VAL 4 -8.649 6.562 2.066 31 HB VAL 4 HB VAL 4 -9.227 7.766 4.161 32 1HG1 VAL 4 1HG1 VAL 4 -11.309 8.660 2.269 33 2HG1 VAL 4 2HG1 VAL 4 -9.978 9.555 3.005 34 3HG1 VAL 4 3HG1 VAL 4 -9.676 8.505 1.620 35 1HG2 VAL 4 1HG2 VAL 4 -11.409 7.865 5.016 36 2HG2 VAL 4 2HG2 VAL 4 -12.100 7.100 3.585 37 3HG2 VAL 4 3HG2 VAL 4 -11.130 6.150 4.711 38 H LEU 5 H LEU 5 -7.098 5.547 3.140 39 HA LEU 5 HA LEU 5 -7.779 3.218 4.750 40 1HB LEU 5 1HB LEU 5 -5.590 2.505 4.430 41 2HB LEU 5 2HB LEU 5 -6.026 3.229 2.922 42 HG LEU 5 HG LEU 5 -4.502 4.808 4.961 43 1HD1 LEU 5 1HD1 LEU 5 -2.430 4.094 3.964 44 2HD1 LEU 5 2HD1 LEU 5 -3.287 2.676 4.551 45 3HD1 LEU 5 3HD1 LEU 5 -3.287 3.050 2.832 46 1HD2 LEU 5 1HD2 LEU 5 -5.119 4.912 2.066 47 2HD2 LEU 5 2HD2 LEU 5 -5.207 6.189 3.278 48 3HD2 LEU 5 3HD2 LEU 5 -3.641 5.662 2.659 49 H SER 6 H SER 6 -7.203 2.900 6.866 50 HA SER 6 HA SER 6 -6.830 5.336 8.412 51 1HB SER 6 1HB SER 6 -7.344 3.903 10.360 52 2HB SER 6 2HB SER 6 -8.582 3.778 9.111 53 HG SER 6 HG SER 6 -8.107 1.717 9.730 54 H ARG 7 H ARG 7 -5.528 4.645 10.622 55 HA ARG 7 HA ARG 7 -2.837 4.790 9.935 56 1HB ARG 7 1HB ARG 7 -2.394 4.276 12.333 57 2HB ARG 7 2HB ARG 7 -3.573 5.554 12.086 58 1HG ARG 7 1HG ARG 7 -5.307 4.310 12.895 59 2HG ARG 7 2HG ARG 7 -4.567 2.777 12.434 60 1HD ARG 7 1HD ARG 7 -4.273 2.678 14.694 61 2HD ARG 7 2HD ARG 7 -2.780 3.495 14.235 62 HE ARG 7 HE ARG 7 -4.419 5.562 14.692 63 1HH1 ARG 7 1HH1 ARG 7 -4.043 3.471 18.091 64 2HH1 ARG 7 2HH1 ARG 7 -3.744 2.697 16.572 65 1HH2 ARG 7 1HH2 ARG 7 -4.649 5.679 18.158 66 2HH2 ARG 7 2HH2 ARG 7 -4.811 6.583 16.689 67 H ALA 8 H ALA 8 -4.830 1.997 10.709 68 HA ALA 8 HA ALA 8 -2.749 0.115 10.945 69 1HB ALA 8 1HB ALA 8 -5.331 -0.028 11.472 70 2HB ALA 8 2HB ALA 8 -5.383 -0.727 9.853 71 3HB ALA 8 3HB ALA 8 -4.386 -1.471 11.105 72 H ASP 9 H ASP 9 -4.569 1.311 8.176 73 HA ASP 9 HA ASP 9 -3.564 -0.565 6.301 74 1HB ASP 9 1HB ASP 9 -4.766 2.177 5.967 75 2HB ASP 9 2HB ASP 9 -4.398 1.115 4.624 76 H LYS 10 H LYS 10 -2.771 2.898 6.765 77 HA LYS 10 HA LYS 10 -0.624 2.948 4.981 78 1HB LYS 10 1HB LYS 10 0.170 4.942 6.361 79 2HB LYS 10 2HB LYS 10 -1.432 5.048 5.658 80 1HG LYS 10 1HG LYS 10 -1.839 5.841 7.747 81 2HG LYS 10 2HG LYS 10 -2.176 4.129 7.985 82 1HD LYS 10 1HD LYS 10 -0.768 4.346 9.733 83 2HD LYS 10 2HD LYS 10 0.485 4.199 8.500 84 1HE LYS 10 1HE LYS 10 0.670 6.597 8.340 85 2HE LYS 10 2HE LYS 10 -0.687 6.809 9.446 86 1HZ LYS 10 1HZ LYS 10 1.021 7.047 10.896 87 2HZ LYS 10 2HZ LYS 10 0.874 5.363 10.981 88 3HZ LYS 10 3HZ LYS 10 2.077 6.059 10.016 89 H GLU 11 H GLU 11 -0.728 2.151 8.407 90 HA GLU 11 HA GLU 11 2.046 1.976 8.842 91 1HB GLU 11 1HB GLU 11 -0.363 0.817 10.183 92 2HB GLU 11 2HB GLU 11 1.230 0.226 10.633 93 1HG GLU 11 1HG GLU 11 1.018 3.140 10.564 94 2HG GLU 11 2HG GLU 11 -0.035 2.363 11.747 95 H ARG 12 H ARG 12 -0.321 -0.416 7.731 96 HA ARG 12 HA ARG 12 1.534 -2.577 7.615 97 1HB ARG 12 1HB ARG 12 -0.841 -3.029 7.770 98 2HB ARG 12 2HB ARG 12 -1.144 -2.160 6.273 99 1HG ARG 12 1HG ARG 12 -1.197 -4.634 6.056 100 2HG ARG 12 2HG ARG 12 -0.042 -3.838 4.987 101 1HD ARG 12 1HD ARG 12 1.794 -4.513 6.295 102 2HD ARG 12 2HD ARG 12 0.768 -4.949 7.659 103 HE ARG 12 HE ARG 12 1.265 -6.522 5.262 104 1HH1 ARG 12 1HH1 ARG 12 -1.060 -7.812 8.257 105 2HH1 ARG 12 2HH1 ARG 12 -0.574 -6.151 8.213 106 1HH2 ARG 12 1HH2 ARG 12 -0.384 -9.255 6.617 107 2HH2 ARG 12 2HH2 ARG 12 0.617 -8.693 5.321 108 H LEU 13 H LEU 13 0.618 0.004 5.476 109 HA LEU 13 HA LEU 13 1.697 -1.074 3.078 110 1HB LEU 13 1HB LEU 13 0.085 0.679 2.927 111 2HB LEU 13 2HB LEU 13 1.018 1.718 3.982 112 HG LEU 13 HG LEU 13 2.797 1.459 1.997 113 1HD1 LEU 13 1HD1 LEU 13 1.986 0.901 -0.013 114 2HD1 LEU 13 2HD1 LEU 13 0.708 0.098 0.901 115 3HD1 LEU 13 3HD1 LEU 13 0.451 1.723 0.266 116 1HD2 LEU 13 1HD2 LEU 13 1.506 3.475 3.047 117 2HD2 LEU 13 2HD2 LEU 13 2.296 3.639 1.477 118 3HD2 LEU 13 3HD2 LEU 13 0.552 3.375 1.563 119 H LEU 14 H LEU 14 2.955 0.804 5.743 120 HA LEU 14 HA LEU 14 5.449 1.441 4.503 121 1HB LEU 14 1HB LEU 14 4.335 1.643 7.273 122 2HB LEU 14 2HB LEU 14 6.055 1.875 7.009 123 HG LEU 14 HG LEU 14 3.801 3.519 5.861 124 1HD1 LEU 14 1HD1 LEU 14 4.168 4.945 7.524 125 2HD1 LEU 14 2HD1 LEU 14 5.152 3.694 8.284 126 3HD1 LEU 14 3HD1 LEU 14 5.912 4.912 7.259 127 1HD2 LEU 14 1HD2 LEU 14 6.460 3.071 4.843 128 2HD2 LEU 14 2HD2 LEU 14 5.136 4.010 4.155 129 3HD2 LEU 14 3HD2 LEU 14 6.241 4.758 5.308 130 H GLU 15 H GLU 15 4.327 -1.023 6.777 131 HA GLU 15 HA GLU 15 6.769 -2.178 7.443 132 1HB GLU 15 1HB GLU 15 4.628 -2.737 8.535 133 2HB GLU 15 2HB GLU 15 4.106 -3.564 7.074 134 1HG GLU 15 1HG GLU 15 6.409 -4.857 7.512 135 2HG GLU 15 2HG GLU 15 5.993 -4.421 9.169 136 H LEU 16 H LEU 16 4.713 -2.654 4.635 137 HA LEU 16 HA LEU 16 6.410 -4.740 3.558 138 1HB LEU 16 1HB LEU 16 3.883 -3.392 2.678 139 2HB LEU 16 2HB LEU 16 4.817 -4.329 1.529 140 HG LEU 16 HG LEU 16 3.118 -5.761 2.347 141 1HD1 LEU 16 1HD1 LEU 16 5.411 -6.610 4.062 142 2HD1 LEU 16 2HD1 LEU 16 4.348 -7.584 3.045 143 3HD1 LEU 16 3HD1 LEU 16 5.585 -6.565 2.307 144 1HD2 LEU 16 1HD2 LEU 16 3.691 -4.436 4.906 145 2HD2 LEU 16 2HD2 LEU 16 2.177 -5.075 4.268 146 3HD2 LEU 16 3HD2 LEU 16 3.348 -6.162 5.015 147 H LEU 17 H LEU 17 6.175 -1.330 3.455 148 HA LEU 17 HA LEU 17 7.570 -1.043 0.932 149 1HB LEU 17 1HB LEU 17 6.249 0.758 2.873 150 2HB LEU 17 2HB LEU 17 7.563 1.442 1.938 151 HG LEU 17 HG LEU 17 5.106 1.672 1.106 152 1HD1 LEU 17 1HD1 LEU 17 5.919 2.138 -0.980 153 2HD1 LEU 17 2HD1 LEU 17 7.411 2.130 -0.039 154 3HD1 LEU 17 3HD1 LEU 17 6.971 0.723 -1.007 155 1HD2 LEU 17 1HD2 LEU 17 5.537 -0.719 -0.524 156 2HD2 LEU 17 2HD2 LEU 17 5.166 -1.054 1.169 157 3HD2 LEU 17 3HD2 LEU 17 4.058 -0.084 0.197 158 H LYS 18 H LYS 18 8.478 -1.651 4.102 159 HA LYS 18 HA LYS 18 10.448 -1.481 5.243 160 1HB LYS 18 1HB LYS 18 11.111 -1.958 2.453 161 2HB LYS 18 2HB LYS 18 12.382 -1.083 3.292 162 1HG LYS 18 1HG LYS 18 13.015 -3.259 3.650 163 2HG LYS 18 2HG LYS 18 12.070 -2.932 5.104 164 1HD LYS 18 1HD LYS 18 10.102 -3.820 3.547 165 2HD LYS 18 2HD LYS 18 11.447 -4.665 2.775 166 1HE LYS 18 1HE LYS 18 12.024 -5.770 4.793 167 2HE LYS 18 2HE LYS 18 10.954 -4.738 5.742 168 1HZ LYS 18 1HZ LYS 18 9.933 -6.532 3.621 169 2HZ LYS 18 2HZ LYS 18 10.135 -7.056 5.217 170 3HZ LYS 18 3HZ LYS 18 9.068 -5.789 4.873 171 H LEU 19 H LEU 19 8.958 0.948 4.255 172 HA LEU 19 HA LEU 19 11.074 2.963 4.432 173 1HB LEU 19 1HB LEU 19 9.597 2.957 2.432 174 2HB LEU 19 2HB LEU 19 8.217 3.212 3.481 175 HG LEU 19 HG LEU 19 10.299 5.223 3.850 176 1HD1 LEU 19 1HD1 LEU 19 9.319 4.574 1.134 177 2HD1 LEU 19 2HD1 LEU 19 9.345 6.279 1.589 178 3HD1 LEU 19 3HD1 LEU 19 10.831 5.326 1.647 179 1HD2 LEU 19 1HD2 LEU 19 7.356 5.017 3.600 180 2HD2 LEU 19 2HD2 LEU 19 8.336 5.875 4.789 181 3HD2 LEU 19 3HD2 LEU 19 8.092 6.563 3.183 182 HA PRO 20 HA PRO 20 9.686 3.233 8.736 183 1HB PRO 20 1HB PRO 20 11.286 5.735 8.467 184 2HB PRO 20 2HB PRO 20 11.325 4.503 9.733 185 1HG PRO 20 1HG PRO 20 13.228 4.620 7.866 186 2HG PRO 20 2HG PRO 20 12.636 3.068 8.485 187 1HD PRO 20 1HD PRO 20 12.123 4.389 5.875 188 2HD PRO 20 2HD PRO 20 12.202 2.662 6.272 189 H ARG 21 H ARG 21 8.678 4.929 10.073 190 HA ARG 21 HA ARG 21 6.708 6.394 8.515 191 1HB ARG 21 1HB ARG 21 5.545 6.698 10.642 192 2HB ARG 21 2HB ARG 21 5.949 5.005 10.393 193 1HG ARG 21 1HG ARG 21 8.118 5.876 11.781 194 2HG ARG 21 2HG ARG 21 6.831 6.871 12.467 195 1HD ARG 21 1HD ARG 21 6.579 3.890 12.160 196 2HD ARG 21 2HD ARG 21 7.287 4.634 13.593 197 HE ARG 21 HE ARG 21 4.876 5.888 13.270 198 1HH1 ARG 21 1HH1 ARG 21 4.451 2.077 14.428 199 2HH1 ARG 21 2HH1 ARG 21 5.910 2.576 13.641 200 1HH2 ARG 21 1HH2 ARG 21 2.773 3.586 14.804 201 2HH2 ARG 21 2HH2 ARG 21 2.955 5.234 14.303 202 H GLN 22 H GLN 22 9.718 7.027 9.681 203 HA GLN 22 HA GLN 22 9.327 9.644 10.780 204 1HB GLN 22 1HB GLN 22 11.345 7.819 10.881 205 2HB GLN 22 2HB GLN 22 11.980 8.948 9.695 206 1HG GLN 22 1HG GLN 22 12.110 10.676 11.208 207 2HG GLN 22 2HG GLN 22 10.891 9.976 12.273 208 1HE2 GLN 22 1HE2 GLN 22 14.530 9.597 13.430 209 2HE2 GLN 22 2HE2 GLN 22 13.764 10.903 12.599 210 H LEU 23 H LEU 23 10.015 8.295 7.653 211 HA LEU 23 HA LEU 23 10.198 10.996 6.526 212 1HB LEU 23 1HB LEU 23 11.411 10.115 4.690 213 2HB LEU 23 2HB LEU 23 12.126 9.465 6.147 214 HG LEU 23 HG LEU 23 12.118 7.732 4.524 215 1HD1 LEU 23 1HD1 LEU 23 11.411 7.095 6.843 216 2HD1 LEU 23 2HD1 LEU 23 9.747 7.122 6.260 217 3HD1 LEU 23 3HD1 LEU 23 10.900 5.982 5.569 218 1HD2 LEU 23 1HD2 LEU 23 10.417 7.178 3.113 219 2HD2 LEU 23 2HD2 LEU 23 9.173 7.809 4.191 220 3HD2 LEU 23 3HD2 LEU 23 10.182 8.919 3.263 221 H TRP 24 H TRP 24 7.817 9.167 7.234 222 HA TRP 24 HA TRP 24 6.445 8.412 4.927 223 1HB TRP 24 1HB TRP 24 5.682 7.672 7.070 224 2HB TRP 24 2HB TRP 24 5.493 9.323 7.644 225 HD1 TRP 24 HD1 TRP 24 3.237 10.570 7.062 226 HE1 TRP 24 HE1 TRP 24 0.982 9.759 6.122 227 HE3 TRP 24 HE3 TRP 24 4.677 5.978 5.354 228 HZ2 TRP 24 HZ2 TRP 24 -0.052 7.465 4.834 229 HZ3 TRP 24 HZ3 TRP 24 2.997 4.534 4.278 230 HH2 TRP 24 HH2 TRP 24 0.683 5.269 4.023 231 H GLY 25 H GLY 25 6.446 9.874 3.251 232 1HA GLY 25 1HA GLY 25 4.493 11.710 2.907 233 2HA GLY 25 2HA GLY 25 5.748 12.647 3.702 234 H ASP 26 H ASP 26 7.848 10.982 2.343 235 HA ASP 26 HA ASP 26 8.063 12.624 -0.011 236 1HB ASP 26 1HB ASP 26 9.951 11.805 1.607 237 2HB ASP 26 2HB ASP 26 9.933 10.360 0.601 238 H PHE 27 H PHE 27 6.683 12.064 -1.608 239 HA PHE 27 HA PHE 27 5.735 9.552 -2.257 240 1HB PHE 27 1HB PHE 27 4.839 11.667 -3.170 241 2HB PHE 27 2HB PHE 27 6.267 11.813 -4.189 242 HD1 PHE 27 HD1 PHE 27 3.957 9.000 -3.379 243 HD2 PHE 27 HD2 PHE 27 5.745 11.419 -6.388 244 HE1 PHE 27 HE1 PHE 27 2.847 7.654 -5.113 245 HE2 PHE 27 HE2 PHE 27 4.638 10.079 -8.129 246 HZ PHE 27 HZ PHE 27 3.186 8.194 -7.492 247 H GLY 28 H GLY 28 8.640 11.178 -3.461 248 1HA GLY 28 1HA GLY 28 9.362 9.320 -5.414 249 2HA GLY 28 2HA GLY 28 10.477 10.376 -4.567 250 H ARG 29 H ARG 29 9.872 9.222 -1.935 251 HA ARG 29 HA ARG 29 11.696 6.995 -2.132 252 1HB ARG 29 1HB ARG 29 10.470 8.481 0.175 253 2HB ARG 29 2HB ARG 29 11.393 7.005 0.423 254 1HG ARG 29 1HG ARG 29 13.191 8.256 -1.014 255 2HG ARG 29 2HG ARG 29 12.311 9.688 -0.479 256 1HD ARG 29 1HD ARG 29 12.730 9.213 1.794 257 2HD ARG 29 2HD ARG 29 13.270 7.576 1.432 258 HE ARG 29 HE ARG 29 15.191 8.706 0.256 259 1HH1 ARG 29 1HH1 ARG 29 14.919 11.172 3.401 260 2HH1 ARG 29 2HH1 ARG 29 13.551 10.210 2.957 261 1HH2 ARG 29 1HH2 ARG 29 16.861 11.038 2.211 262 2HH2 ARG 29 2HH2 ARG 29 16.979 9.971 0.852 263 H MET 30 H MET 30 8.350 7.453 -0.980 264 HA MET 30 HA MET 30 7.907 4.808 -0.193 265 1HB MET 30 1HB MET 30 5.471 5.330 -0.571 266 2HB MET 30 2HB MET 30 6.324 6.439 0.489 267 1HG MET 30 1HG MET 30 6.543 8.022 -1.368 268 2HG MET 30 2HG MET 30 5.644 6.914 -2.402 269 1HE MET 30 1HE MET 30 4.010 9.124 1.263 270 2HE MET 30 2HE MET 30 4.462 7.434 1.490 271 3HE MET 30 3HE MET 30 5.672 8.610 0.974 272 H GLN 31 H GLN 31 7.539 6.353 -3.354 273 HA GLN 31 HA GLN 31 6.410 4.055 -4.611 274 1HB GLN 31 1HB GLN 31 6.223 6.438 -5.443 275 2HB GLN 31 2HB GLN 31 7.895 6.308 -5.970 276 1HG GLN 31 1HG GLN 31 7.136 4.267 -7.297 277 2HG GLN 31 2HG GLN 31 5.494 4.828 -6.984 278 1HE2 GLN 31 1HE2 GLN 31 6.636 6.143 -10.250 279 2HE2 GLN 31 2HE2 GLN 31 6.461 4.577 -9.541 280 H GLN 32 H GLN 32 9.667 5.296 -4.165 281 HA GLN 32 HA GLN 32 10.992 3.554 -5.941 282 1HB GLN 32 1HB GLN 32 11.802 5.238 -3.618 283 2HB GLN 32 2HB GLN 32 12.918 3.987 -4.146 284 1HG GLN 32 1HG GLN 32 11.957 5.455 -6.412 285 2HG GLN 32 2HG GLN 32 12.592 6.563 -5.197 286 1HE2 GLN 32 1HE2 GLN 32 15.891 5.896 -5.925 287 2HE2 GLN 32 2HE2 GLN 32 14.702 6.882 -5.151 288 H ALA 33 H ALA 33 9.912 3.224 -2.626 289 HA ALA 33 HA ALA 33 11.253 0.702 -2.226 290 1HB ALA 33 1HB ALA 33 9.886 2.626 -0.585 291 2HB ALA 33 2HB ALA 33 9.271 1.003 -0.265 292 3HB ALA 33 3HB ALA 33 10.996 1.338 -0.111 293 H TYR 34 H TYR 34 7.976 1.821 -2.940 294 HA TYR 34 HA TYR 34 6.580 -0.551 -2.650 295 1HB TYR 34 1HB TYR 34 5.482 1.598 -3.097 296 2HB TYR 34 2HB TYR 34 6.147 1.608 -4.727 297 HD1 TYR 34 HD1 TYR 34 3.381 0.636 -2.695 298 HD2 TYR 34 HD2 TYR 34 5.495 -0.358 -6.261 299 HE1 TYR 34 HE1 TYR 34 1.434 -0.637 -3.505 300 HE2 TYR 34 HE2 TYR 34 3.543 -1.610 -7.078 301 HH TYR 34 HH TYR 34 1.568 -2.669 -6.281 302 H LYS 35 H LYS 35 8.397 0.643 -5.447 303 HA LYS 35 HA LYS 35 7.800 -1.609 -7.098 304 1HB LYS 35 1HB LYS 35 10.023 0.430 -7.325 305 2HB LYS 35 2HB LYS 35 9.555 -0.710 -8.579 306 1HG LYS 35 1HG LYS 35 7.209 0.642 -7.861 307 2HG LYS 35 2HG LYS 35 8.469 1.871 -7.963 308 1HD LYS 35 1HD LYS 35 9.073 0.999 -10.205 309 2HD LYS 35 2HD LYS 35 7.714 -0.123 -10.099 310 1HE LYS 35 1HE LYS 35 6.360 2.072 -9.603 311 2HE LYS 35 2HE LYS 35 7.715 2.841 -10.427 312 1HZ LYS 35 1HZ LYS 35 5.712 2.128 -11.811 313 2HZ LYS 35 2HZ LYS 35 7.248 1.730 -12.395 314 3HZ LYS 35 3HZ LYS 35 6.300 0.550 -11.640 315 H GLN 36 H GLN 36 10.443 -0.713 -4.952 316 HA GLN 36 HA GLN 36 12.238 -2.759 -5.621 317 1HB GLN 36 1HB GLN 36 12.517 -0.665 -4.084 318 2HB GLN 36 2HB GLN 36 11.972 -1.747 -2.810 319 1HG GLN 36 1HG GLN 36 13.972 -3.125 -4.222 320 2HG GLN 36 2HG GLN 36 14.565 -1.483 -3.980 321 1HE2 GLN 36 1HE2 GLN 36 14.775 -1.743 -0.465 322 2HE2 GLN 36 2HE2 GLN 36 14.541 -0.650 -1.784 323 H GLN 37 H GLN 37 9.508 -2.672 -3.402 324 HA GLN 37 HA GLN 37 10.019 -5.384 -2.494 325 1HB GLN 37 1HB GLN 37 7.645 -3.635 -1.859 326 2HB GLN 37 2HB GLN 37 8.206 -5.041 -0.964 327 1HG GLN 37 1HG GLN 37 9.967 -2.648 -1.288 328 2HG GLN 37 2HG GLN 37 8.705 -2.677 -0.058 329 1HE2 GLN 37 1HE2 GLN 37 12.138 -4.099 0.962 330 2HE2 GLN 37 2HE2 GLN 37 11.772 -2.815 -0.134 331 H SER 38 H SER 38 8.194 -3.764 -4.909 332 HA SER 38 HA SER 38 6.099 -5.650 -5.219 333 1HB SER 38 1HB SER 38 7.268 -3.515 -6.988 334 2HB SER 38 2HB SER 38 6.033 -4.617 -7.599 335 HG SER 38 HG SER 38 5.838 -2.603 -5.682 336 H LEU 39 H LEU 39 9.398 -5.491 -6.332 337 HA LEU 39 HA LEU 39 9.152 -7.466 -8.372 338 1HB LEU 39 1HB LEU 39 11.329 -5.953 -7.087 339 2HB LEU 39 2HB LEU 39 11.788 -7.533 -7.694 340 HG LEU 39 HG LEU 39 10.365 -5.517 -9.416 341 1HD1 LEU 39 1HD1 LEU 39 13.220 -5.664 -8.630 342 2HD1 LEU 39 2HD1 LEU 39 12.849 -5.331 -10.322 343 3HD1 LEU 39 3HD1 LEU 39 12.229 -4.270 -9.058 344 1HD2 LEU 39 1HD2 LEU 39 11.913 -6.996 -11.044 345 2HD2 LEU 39 2HD2 LEU 39 11.585 -8.177 -9.777 346 3HD2 LEU 39 3HD2 LEU 39 10.249 -7.411 -10.636 347 H LEU 40 H LEU 40 9.865 -7.539 -4.936 348 HA LEU 40 HA LEU 40 10.554 -10.354 -5.008 349 1HB LEU 40 1HB LEU 40 10.639 -10.101 -2.497 350 2HB LEU 40 2HB LEU 40 11.790 -9.151 -3.411 351 HG LEU 40 HG LEU 40 9.953 -7.271 -3.165 352 1HD1 LEU 40 1HD1 LEU 40 8.515 -7.414 -1.384 353 2HD1 LEU 40 2HD1 LEU 40 8.496 -9.080 -1.959 354 3HD1 LEU 40 3HD1 LEU 40 9.480 -8.641 -0.564 355 1HD2 LEU 40 1HD2 LEU 40 12.260 -8.087 -1.626 356 2HD2 LEU 40 2HD2 LEU 40 11.751 -6.475 -2.129 357 3HD2 LEU 40 3HD2 LEU 40 11.109 -7.179 -0.644 358 H LEU 41 H LEU 41 7.728 -8.475 -4.720 359 HA LEU 41 HA LEU 41 6.254 -10.600 -3.365 360 1HB LEU 41 1HB LEU 41 5.596 -7.771 -4.120 361 2HB LEU 41 2HB LEU 41 4.337 -8.899 -3.656 362 HG LEU 41 HG LEU 41 6.671 -8.062 -1.937 363 1HD1 LEU 41 1HD1 LEU 41 4.394 -7.356 -0.623 364 2HD1 LEU 41 2HD1 LEU 41 5.382 -6.267 -1.596 365 3HD1 LEU 41 3HD1 LEU 41 3.957 -7.030 -2.300 366 1HD2 LEU 41 1HD2 LEU 41 5.263 -9.258 -0.169 367 2HD2 LEU 41 2HD2 LEU 41 4.450 -10.036 -1.529 368 3HD2 LEU 41 3HD2 LEU 41 6.186 -10.257 -1.295 369 H HIS 42 H HIS 42 7.152 -9.876 -6.468 370 HA HIS 42 HA HIS 42 4.693 -10.509 -7.811 371 1HB HIS 42 1HB HIS 42 6.772 -9.098 -8.625 372 2HB HIS 42 2HB HIS 42 7.355 -10.669 -9.165 373 HD1 HIS 42 HD1 HIS 42 4.055 -8.774 -9.476 374 HD2 HIS 42 HD2 HIS 42 6.676 -11.072 -11.733 375 HE1 HIS 42 HE1 HIS 42 3.048 -8.875 -11.778 376 HE2 HIS 42 HE2 HIS 42 4.583 -10.382 -13.087 377 HA PRO 43 HA PRO 43 4.796 -14.927 -7.193 378 1HB PRO 43 1HB PRO 43 3.586 -14.778 -9.927 379 2HB PRO 43 2HB PRO 43 3.085 -15.736 -8.528 380 1HG PRO 43 1HG PRO 43 1.798 -13.494 -9.175 381 2HG PRO 43 2HG PRO 43 2.084 -13.930 -7.481 382 1HD PRO 43 1HD PRO 43 3.372 -11.828 -9.133 383 2HD PRO 43 2HD PRO 43 3.121 -11.896 -7.378 384 H ASP 44 H ASP 44 6.027 -13.350 -10.087 385 HA ASP 44 HA ASP 44 7.264 -15.634 -11.213 386 1HB ASP 44 1HB ASP 44 6.934 -12.931 -11.924 387 2HB ASP 44 2HB ASP 44 8.671 -13.217 -11.902 388 H LYS 45 H LYS 45 8.047 -13.841 -8.454 389 HA LYS 45 HA LYS 45 10.815 -14.849 -8.536 390 1HB LYS 45 1HB LYS 45 9.783 -12.462 -6.994 391 2HB LYS 45 2HB LYS 45 11.451 -13.016 -7.060 392 1HG LYS 45 1HG LYS 45 9.880 -12.042 -9.437 393 2HG LYS 45 2HG LYS 45 10.994 -11.052 -8.492 394 1HD LYS 45 1HD LYS 45 12.854 -12.168 -9.269 395 2HD LYS 45 2HD LYS 45 11.951 -13.643 -9.622 396 1HE LYS 45 1HE LYS 45 10.841 -12.464 -11.493 397 2HE LYS 45 2HE LYS 45 11.848 -11.054 -11.167 398 1HZ LYS 45 1HZ LYS 45 12.853 -12.270 -12.917 399 2HZ LYS 45 2HZ LYS 45 13.806 -12.527 -11.542 400 3HZ LYS 45 3HZ LYS 45 12.743 -13.732 -12.072 401 H GLY 46 H GLY 46 8.373 -16.228 -7.630 402 1HA GLY 46 1HA GLY 46 7.926 -17.753 -5.961 403 2HA GLY 46 2HA GLY 46 9.412 -17.250 -5.169 404 H GLY 47 H GLY 47 7.227 -14.710 -5.904 405 1HA GLY 47 1HA GLY 47 6.734 -14.318 -3.064 406 2HA GLY 47 2HA GLY 47 6.352 -13.189 -4.354 407 H SER 48 H SER 48 4.572 -13.699 -2.297 408 HA SER 48 HA SER 48 2.610 -15.601 -3.273 409 1HB SER 48 1HB SER 48 3.102 -14.159 -0.766 410 2HB SER 48 2HB SER 48 1.396 -14.256 -1.203 411 HG SER 48 HG SER 48 2.006 -16.067 0.005 412 H HIS 49 H HIS 49 0.455 -15.039 -3.812 413 HA HIS 49 HA HIS 49 0.280 -12.629 -5.368 414 1HB HIS 49 1HB HIS 49 -0.790 -15.081 -5.687 415 2HB HIS 49 2HB HIS 49 -2.150 -14.270 -4.918 416 HD1 HIS 49 HD1 HIS 49 -0.627 -11.681 -6.755 417 HD2 HIS 49 HD2 HIS 49 -2.937 -14.973 -7.808 418 HE1 HIS 49 HE1 HIS 49 -1.561 -11.148 -9.026 419 HE2 HIS 49 HE2 HIS 49 -2.890 -13.187 -9.678 420 H ALA 50 H ALA 50 -1.237 -13.894 -2.440 421 HA ALA 50 HA ALA 50 -3.120 -11.886 -2.017 422 1HB ALA 50 1HB ALA 50 -2.602 -12.571 0.498 423 2HB ALA 50 2HB ALA 50 -3.487 -13.625 -0.604 424 3HB ALA 50 3HB ALA 50 -1.769 -13.896 -0.313 425 H LEU 51 H LEU 51 0.312 -11.975 -1.271 426 HA LEU 51 HA LEU 51 0.310 -9.645 0.371 427 1HB LEU 51 1HB LEU 51 2.370 -11.351 -0.931 428 2HB LEU 51 2HB LEU 51 2.849 -9.746 -0.413 429 HG LEU 51 HG LEU 51 1.739 -10.502 1.861 430 1HD1 LEU 51 1HD1 LEU 51 1.835 -12.942 0.290 431 2HD1 LEU 51 2HD1 LEU 51 2.711 -13.085 1.813 432 3HD1 LEU 51 3HD1 LEU 51 1.014 -12.607 1.814 433 1HD2 LEU 51 1HD2 LEU 51 4.021 -9.834 1.717 434 2HD2 LEU 51 2HD2 LEU 51 3.978 -11.390 2.543 435 3HD2 LEU 51 3HD2 LEU 51 4.460 -11.304 0.849 436 H MET 52 H MET 52 1.358 -10.217 -2.983 437 HA MET 52 HA MET 52 2.049 -7.606 -3.624 438 1HB MET 52 1HB MET 52 2.499 -9.658 -4.996 439 2HB MET 52 2HB MET 52 0.823 -9.605 -5.521 440 1HG MET 52 1HG MET 52 2.085 -8.599 -7.231 441 2HG MET 52 2HG MET 52 1.275 -7.289 -6.378 442 1HE MET 52 1HE MET 52 3.104 -5.432 -4.577 443 2HE MET 52 2HE MET 52 3.778 -4.872 -6.108 444 3HE MET 52 3HE MET 52 2.104 -5.421 -6.028 445 H GLN 53 H GLN 53 -1.100 -9.226 -3.974 446 HA GLN 53 HA GLN 53 -2.392 -7.001 -5.153 447 1HB GLN 53 1HB GLN 53 -4.449 -8.188 -4.796 448 2HB GLN 53 2HB GLN 53 -3.220 -9.337 -5.299 449 1HG GLN 53 1HG GLN 53 -3.302 -10.471 -3.364 450 2HG GLN 53 2HG GLN 53 -3.517 -9.015 -2.392 451 1HE2 GLN 53 1HE2 GLN 53 -6.593 -11.277 -2.596 452 2HE2 GLN 53 2HE2 GLN 53 -4.917 -11.671 -2.463 453 H GLU 54 H GLU 54 -1.673 -7.851 -1.867 454 HA GLU 54 HA GLU 54 -3.600 -6.213 -0.592 455 1HB GLU 54 1HB GLU 54 -1.140 -7.651 0.203 456 2HB GLU 54 2HB GLU 54 -1.596 -6.292 1.221 457 1HG GLU 54 1HG GLU 54 -3.920 -7.841 0.706 458 2HG GLU 54 2HG GLU 54 -2.627 -8.924 1.216 459 H LEU 55 H LEU 55 -0.130 -5.685 -1.223 460 HA LEU 55 HA LEU 55 0.032 -3.076 -0.274 461 1HB LEU 55 1HB LEU 55 1.833 -4.781 -1.170 462 2HB LEU 55 2HB LEU 55 1.610 -3.901 -2.670 463 HG LEU 55 HG LEU 55 2.390 -1.868 -1.698 464 1HD1 LEU 55 1HD1 LEU 55 3.200 -2.017 0.773 465 2HD1 LEU 55 2HD1 LEU 55 1.500 -1.698 0.427 466 3HD1 LEU 55 3HD1 LEU 55 2.018 -3.320 0.887 467 1HD2 LEU 55 1HD2 LEU 55 3.966 -4.333 -1.341 468 2HD2 LEU 55 2HD2 LEU 55 4.324 -2.878 -2.274 469 3HD2 LEU 55 3HD2 LEU 55 4.580 -2.894 -0.529 470 H ASN 56 H ASN 56 -0.875 -4.285 -3.466 471 HA ASN 56 HA ASN 56 -0.954 -1.858 -4.843 472 1HB ASN 56 1HB ASN 56 -2.679 -4.317 -5.214 473 2HB ASN 56 2HB ASN 56 -2.547 -2.998 -6.373 474 1HD2 ASN 56 1HD2 ASN 56 -0.233 -5.258 -7.809 475 2HD2 ASN 56 2HD2 ASN 56 -1.901 -4.804 -7.774 476 H SER 57 H SER 57 -3.243 -3.329 -2.644 477 HA SER 57 HA SER 57 -5.346 -1.445 -3.214 478 1HB SER 57 1HB SER 57 -5.301 -3.075 -0.707 479 2HB SER 57 2HB SER 57 -6.657 -2.677 -1.761 480 HG SER 57 HG SER 57 -6.238 -4.376 -2.944 481 H LEU 58 H LEU 58 -2.730 -1.756 -0.919 482 HA LEU 58 HA LEU 58 -3.693 0.357 0.784 483 1HB LEU 58 1HB LEU 58 -1.273 -1.380 0.704 484 2HB LEU 58 2HB LEU 58 -1.191 0.119 1.606 485 HG LEU 58 HG LEU 58 -3.187 -2.094 2.089 486 1HD1 LEU 58 1HD1 LEU 58 -0.534 -2.099 2.741 487 2HD1 LEU 58 2HD1 LEU 58 -1.272 -1.407 4.185 488 3HD1 LEU 58 3HD1 LEU 58 -1.799 -2.984 3.597 489 1HD2 LEU 58 1HD2 LEU 58 -2.631 0.341 3.777 490 2HD2 LEU 58 2HD2 LEU 58 -3.955 0.240 2.617 491 3HD2 LEU 58 3HD2 LEU 58 -3.906 -0.857 3.992 492 H TRP 59 H TRP 59 -1.552 0.040 -1.946 493 HA TRP 59 HA TRP 59 -0.508 2.731 -1.632 494 1HB TRP 59 1HB TRP 59 1.041 1.048 -2.397 495 2HB TRP 59 2HB TRP 59 -0.048 0.572 -3.692 496 HD1 TRP 59 HD1 TRP 59 0.391 1.618 -5.975 497 HE1 TRP 59 HE1 TRP 59 1.834 3.548 -6.870 498 HE3 TRP 59 HE3 TRP 59 2.005 3.595 -1.519 499 HZ2 TRP 59 HZ2 TRP 59 3.444 5.619 -5.842 500 HZ3 TRP 59 HZ3 TRP 59 3.500 5.540 -1.581 501 HH2 TRP 59 HH2 TRP 59 4.201 6.534 -3.694 502 H GLY 60 H GLY 60 -3.068 1.074 -3.213 503 1HA GLY 60 1HA GLY 60 -3.486 2.932 -5.349 504 2HA GLY 60 2HA GLY 60 -4.625 1.719 -4.786 505 H THR 61 H THR 61 -5.507 2.276 -2.470 506 HA THR 61 HA THR 61 -7.108 4.548 -2.660 507 HB THR 61 HB THR 61 -7.011 2.442 -0.978 508 HG1 THR 61 HG1 THR 61 -8.206 4.894 -0.239 509 1HG2 THR 61 1HG2 THR 61 -5.401 2.938 0.561 510 2HG2 THR 61 2HG2 THR 61 -5.809 4.655 0.579 511 3HG2 THR 61 3HG2 THR 61 -6.887 3.489 1.335 512 H PHE 62 H PHE 62 -4.190 3.943 -0.858 513 HA PHE 62 HA PHE 62 -3.621 6.323 0.364 514 1HB PHE 62 1HB PHE 62 -2.232 4.326 0.552 515 2HB PHE 62 2HB PHE 62 -1.766 4.468 -1.142 516 HD1 PHE 62 HD1 PHE 62 -1.971 7.407 1.038 517 HD2 PHE 62 HD2 PHE 62 0.568 4.425 -0.645 518 HE1 PHE 62 HE1 PHE 62 0.002 8.720 1.696 519 HE2 PHE 62 HE2 PHE 62 2.539 5.739 0.014 520 HZ PHE 62 HZ PHE 62 2.259 7.878 1.177 521 H LYS 63 H LYS 63 -2.827 5.346 -2.918 522 HA LYS 63 HA LYS 63 -1.547 7.626 -3.818 523 1HB LYS 63 1HB LYS 63 -2.425 5.196 -4.877 524 2HB LYS 63 2HB LYS 63 -3.197 6.412 -5.860 525 1HG LYS 63 1HG LYS 63 -1.037 7.406 -6.373 526 2HG LYS 63 2HG LYS 63 -0.242 6.227 -5.327 527 1HD LYS 63 1HD LYS 63 -1.664 5.750 -7.935 528 2HD LYS 63 2HD LYS 63 0.023 5.422 -7.535 529 1HE LYS 63 1HE LYS 63 -0.893 3.775 -5.801 530 2HE LYS 63 2HE LYS 63 -2.438 3.951 -6.630 531 1HZ LYS 63 1HZ LYS 63 0.081 2.820 -7.679 532 2HZ LYS 63 2HZ LYS 63 -1.451 2.106 -7.615 533 3HZ LYS 63 3HZ LYS 63 -1.145 3.350 -8.718 534 H THR 64 H THR 64 -5.005 6.929 -3.587 535 HA THR 64 HA THR 64 -6.090 8.919 -5.145 536 HB THR 64 HB THR 64 -7.052 8.151 -2.377 537 HG1 THR 64 HG1 THR 64 -6.901 6.299 -3.576 538 1HG2 THR 64 1HG2 THR 64 -8.725 9.027 -4.706 539 2HG2 THR 64 2HG2 THR 64 -9.212 8.807 -3.026 540 3HG2 THR 64 3HG2 THR 64 -8.146 10.139 -3.468 541 H GLU 65 H GLU 65 -4.670 9.138 -1.947 542 HA GLU 65 HA GLU 65 -5.145 11.992 -1.756 543 1HB GLU 65 1HB GLU 65 -3.377 10.388 0.080 544 2HB GLU 65 2HB GLU 65 -4.274 11.857 0.433 545 1HG GLU 65 1HG GLU 65 -5.908 9.544 -0.350 546 2HG GLU 65 2HG GLU 65 -5.041 9.383 1.176 547 H VAL 66 H VAL 66 -2.599 9.761 -2.604 548 HA VAL 66 HA VAL 66 -0.361 11.363 -2.402 549 HB VAL 66 HB VAL 66 -0.952 9.200 -4.401 550 1HG1 VAL 66 1HG1 VAL 66 1.136 9.314 -5.263 551 2HG1 VAL 66 2HG1 VAL 66 1.002 11.009 -4.801 552 3HG1 VAL 66 3HG1 VAL 66 1.844 9.874 -3.750 553 1HG2 VAL 66 1HG2 VAL 66 -0.932 8.630 -1.964 554 2HG2 VAL 66 2HG2 VAL 66 0.276 7.774 -2.922 555 3HG2 VAL 66 3HG2 VAL 66 0.753 9.143 -1.918 556 H TYR 67 H TYR 67 -2.698 11.118 -5.039 557 HA TYR 67 HA TYR 67 -1.340 12.793 -6.852 558 1HB TYR 67 1HB TYR 67 -3.918 11.493 -6.687 559 2HB TYR 67 2HB TYR 67 -4.095 13.127 -7.318 560 HD1 TYR 67 HD1 TYR 67 -2.762 13.792 -9.351 561 HD2 TYR 67 HD2 TYR 67 -3.037 9.763 -8.018 562 HE1 TYR 67 HE1 TYR 67 -2.015 13.015 -11.563 563 HE2 TYR 67 HE2 TYR 67 -2.290 8.974 -10.223 564 HH TYR 67 HH TYR 67 -0.786 10.196 -12.205 565 H ASN 68 H ASN 68 -3.410 13.437 -4.119 566 HA ASN 68 HA ASN 68 -3.607 16.266 -4.761 567 1HB ASN 68 1HB ASN 68 -4.816 14.492 -2.665 568 2HB ASN 68 2HB ASN 68 -4.839 16.241 -2.463 569 1HD2 ASN 68 1HD2 ASN 68 -7.632 14.503 -4.624 570 2HD2 ASN 68 2HD2 ASN 68 -6.605 13.723 -3.475 571 H LEU 69 H LEU 69 -1.656 14.158 -2.837 572 HA LEU 69 HA LEU 69 -0.859 15.905 -0.806 573 1HB LEU 69 1HB LEU 69 0.738 14.360 -0.262 574 2HB LEU 69 2HB LEU 69 -0.345 13.365 -1.212 575 HG LEU 69 HG LEU 69 1.232 13.954 -3.193 576 1HD1 LEU 69 1HD1 LEU 69 3.515 14.036 -1.437 577 2HD1 LEU 69 2HD1 LEU 69 3.104 15.074 -2.800 578 3HD1 LEU 69 3HD1 LEU 69 2.476 15.439 -1.194 579 1HD2 LEU 69 1HD2 LEU 69 2.886 12.203 -1.728 580 2HD2 LEU 69 2HD2 LEU 69 1.228 11.890 -1.219 581 3HD2 LEU 69 3HD2 LEU 69 1.658 11.797 -2.924 582 H ARG 70 H ARG 70 0.087 15.709 -4.154 583 HA ARG 70 HA ARG 70 2.383 17.383 -3.854 584 1HB ARG 70 1HB ARG 70 0.878 16.427 -6.279 585 2HB ARG 70 2HB ARG 70 2.283 17.479 -6.386 586 1HG ARG 70 1HG ARG 70 3.562 15.718 -5.124 587 2HG ARG 70 2HG ARG 70 2.167 14.662 -5.351 588 1HD ARG 70 1HD ARG 70 3.409 16.045 -7.695 589 2HD ARG 70 2HD ARG 70 4.134 14.576 -7.047 590 HE ARG 70 HE ARG 70 2.327 13.355 -7.817 591 1HH1 ARG 70 1HH1 ARG 70 0.383 16.519 -9.320 592 2HH1 ARG 70 2HH1 ARG 70 1.739 16.771 -8.276 593 1HH2 ARG 70 1HH2 ARG 70 -0.299 14.401 -9.832 594 2HH2 ARG 70 2HH2 ARG 70 0.539 13.032 -9.182 595 H MET 71 H MET 71 -0.710 18.080 -3.506 596 HA MET 71 HA MET 71 -0.447 20.791 -4.615 597 1HB MET 71 1HB MET 71 -2.894 19.077 -4.202 598 2HB MET 71 2HB MET 71 -2.990 20.812 -4.479 599 1HG MET 71 1HG MET 71 -1.759 18.801 -6.351 600 2HG MET 71 2HG MET 71 -3.352 19.538 -6.526 601 1HE MET 71 1HE MET 71 0.345 19.713 -7.093 602 2HE MET 71 2HE MET 71 -0.570 19.590 -8.596 603 3HE MET 71 3HE MET 71 0.425 21.013 -8.282 604 H ASN 72 H ASN 72 -0.785 18.920 -1.771 605 HA ASN 72 HA ASN 72 -1.998 20.939 -0.140 606 1HB ASN 72 1HB ASN 72 -0.503 18.409 0.582 607 2HB ASN 72 2HB ASN 72 -1.329 19.439 1.746 608 1HD2 ASN 72 1HD2 ASN 72 -3.425 16.541 0.488 609 2HD2 ASN 72 2HD2 ASN 72 -1.765 16.634 0.954 610 H LEU 73 H LEU 73 -0.153 22.387 -1.283 611 HA LEU 73 HA LEU 73 2.271 22.397 0.335 612 1HB LEU 73 1HB LEU 73 1.445 24.019 -2.072 613 2HB LEU 73 2HB LEU 73 2.966 24.228 -1.224 614 HG LEU 73 HG LEU 73 2.176 21.582 -2.415 615 1HD1 LEU 73 1HD1 LEU 73 3.343 22.125 -4.419 616 2HD1 LEU 73 2HD1 LEU 73 2.147 23.391 -4.143 617 3HD1 LEU 73 3HD1 LEU 73 3.845 23.687 -3.773 618 1HD2 LEU 73 1HD2 LEU 73 4.766 22.823 -1.517 619 2HD2 LEU 73 2HD2 LEU 73 3.955 21.405 -0.853 620 3HD2 LEU 73 3HD2 LEU 73 4.676 21.336 -2.460 621 H GLY 74 H GLY 74 1.433 23.076 2.331 622 1HA GLY 74 1HA GLY 74 -0.176 25.395 2.642 623 2HA GLY 74 2HA GLY 74 0.724 24.583 3.915 624 H GLY 75 H GLY 75 0.590 27.269 1.806 625 1HA GLY 75 1HA GLY 75 2.508 28.733 3.239 626 2HA GLY 75 2HA GLY 75 3.281 28.083 1.801 627 H THR 76 H THR 76 0.435 29.940 2.838 628 HA THR 76 HA THR 76 -0.117 30.996 0.265 629 HB THR 76 HB THR 76 -1.505 32.664 1.566 630 HG1 THR 76 HG1 THR 76 -1.713 32.214 3.801 631 1HG2 THR 76 1HG2 THR 76 -1.844 29.759 1.585 632 2HG2 THR 76 2HG2 THR 76 -2.776 30.624 2.808 633 3HG2 THR 76 3HG2 THR 76 -2.960 31.036 1.102 634 H GLY 77 H GLY 77 0.739 32.675 -0.793 635 1HA GLY 77 1HA GLY 77 1.607 34.924 -0.830 636 2HA GLY 77 2HA GLY 77 2.358 34.612 0.728 637 H PHE 78 H PHE 78 4.263 33.350 0.819 638 HA PHE 78 HA PHE 78 5.828 33.511 -1.636 639 1HB PHE 78 1HB PHE 78 6.639 32.913 1.215 640 2HB PHE 78 2HB PHE 78 7.756 33.006 -0.142 641 HD1 PHE 78 HD1 PHE 78 6.455 34.764 2.542 642 HD2 PHE 78 HD2 PHE 78 7.473 35.264 -1.560 643 HE1 PHE 78 HE1 PHE 78 6.666 37.191 2.893 644 HE2 PHE 78 HE2 PHE 78 7.687 37.692 -1.215 645 HZ PHE 78 HZ PHE 78 7.284 38.657 1.014 646 H GLN 79 H GLN 79 5.934 31.808 -2.933 647 HA GLN 79 HA GLN 79 5.446 29.135 -1.848 648 1HB GLN 79 1HB GLN 79 5.095 30.434 -4.468 649 2HB GLN 79 2HB GLN 79 5.691 28.781 -4.544 650 1HG GLN 79 1HG GLN 79 3.424 29.203 -2.728 651 2HG GLN 79 2HG GLN 79 3.081 29.470 -4.437 652 1HE2 GLN 79 1HE2 GLN 79 4.005 25.737 -3.061 653 2HE2 GLN 79 2HE2 GLN 79 4.416 27.146 -2.150 Start of MODEL 13 1 1H MET 1 1H MET 1 -18.322 5.272 -5.068 2 2H MET 1 2H MET 1 -17.978 3.981 -3.993 3 3H MET 1 3H MET 1 -17.758 5.605 -3.483 4 HA MET 1 HA MET 1 -16.073 3.888 -5.047 5 1HB MET 1 1HB MET 1 -16.670 6.743 -5.810 6 2HB MET 1 2HB MET 1 -15.147 5.966 -6.222 7 1HG MET 1 1HG MET 1 -16.952 4.136 -7.109 8 2HG MET 1 2HG MET 1 -17.804 5.652 -7.397 9 1HE MET 1 1HE MET 1 -16.916 7.585 -8.548 10 2HE MET 1 2HE MET 1 -15.173 7.707 -8.310 11 3HE MET 1 3HE MET 1 -15.830 7.526 -9.936 12 H ASP 2 H ASP 2 -16.458 4.526 -2.278 13 HA ASP 2 HA ASP 2 -14.457 6.441 -1.503 14 1HB ASP 2 1HB ASP 2 -16.518 5.926 -0.157 15 2HB ASP 2 2HB ASP 2 -15.806 4.362 0.228 16 H ARG 3 H ARG 3 -12.355 6.095 -1.265 17 HA ARG 3 HA ARG 3 -11.397 3.379 -0.727 18 1HB ARG 3 1HB ARG 3 -10.329 5.192 -2.899 19 2HB ARG 3 2HB ARG 3 -9.563 3.699 -2.375 20 1HG ARG 3 1HG ARG 3 -11.591 2.463 -3.053 21 2HG ARG 3 2HG ARG 3 -12.267 3.973 -3.669 22 1HD ARG 3 1HD ARG 3 -9.621 3.603 -4.705 23 2HD ARG 3 2HD ARG 3 -10.579 2.156 -5.000 24 HE ARG 3 HE ARG 3 -11.410 4.859 -5.839 25 1HH1 ARG 3 1HH1 ARG 3 -11.960 1.507 -7.963 26 2HH1 ARG 3 2HH1 ARG 3 -11.167 1.417 -6.429 27 1HH2 ARG 3 1HH2 ARG 3 -12.686 3.512 -8.773 28 2HH2 ARG 3 2HH2 ARG 3 -12.450 4.962 -7.855 29 H VAL 4 H VAL 4 -11.090 4.197 1.421 30 HA VAL 4 HA VAL 4 -8.624 5.777 1.645 31 HB VAL 4 HB VAL 4 -9.540 6.851 3.702 32 1HG1 VAL 4 1HG1 VAL 4 -11.164 8.360 2.374 33 2HG1 VAL 4 2HG1 VAL 4 -9.479 8.265 1.863 34 3HG1 VAL 4 3HG1 VAL 4 -10.714 7.355 0.996 35 1HG2 VAL 4 1HG2 VAL 4 -11.570 6.406 4.519 36 2HG2 VAL 4 2HG2 VAL 4 -12.322 6.471 2.926 37 3HG2 VAL 4 3HG2 VAL 4 -11.545 4.987 3.475 38 H LEU 5 H LEU 5 -7.138 4.851 2.826 39 HA LEU 5 HA LEU 5 -7.746 2.437 4.326 40 1HB LEU 5 1HB LEU 5 -5.461 1.984 4.280 41 2HB LEU 5 2HB LEU 5 -5.811 2.654 2.725 42 HG LEU 5 HG LEU 5 -4.656 4.319 4.944 43 1HD1 LEU 5 1HD1 LEU 5 -2.472 3.980 3.871 44 2HD1 LEU 5 2HD1 LEU 5 -3.113 2.484 4.536 45 3HD1 LEU 5 3HD1 LEU 5 -3.192 2.777 2.803 46 1HD2 LEU 5 1HD2 LEU 5 -5.372 4.647 2.133 47 2HD2 LEU 5 2HD2 LEU 5 -5.255 5.844 3.423 48 3HD2 LEU 5 3HD2 LEU 5 -3.801 5.302 2.584 49 H SER 6 H SER 6 -7.168 2.097 6.486 50 HA SER 6 HA SER 6 -7.414 4.498 8.109 51 1HB SER 6 1HB SER 6 -7.993 3.054 9.915 52 2HB SER 6 2HB SER 6 -8.800 2.404 8.487 53 HG SER 6 HG SER 6 -6.860 1.010 8.319 54 H ARG 7 H ARG 7 -6.194 3.996 10.402 55 HA ARG 7 HA ARG 7 -3.528 4.680 9.968 56 1HB ARG 7 1HB ARG 7 -3.212 4.327 12.364 57 2HB ARG 7 2HB ARG 7 -4.731 5.161 12.056 58 1HG ARG 7 1HG ARG 7 -5.506 3.646 13.533 59 2HG ARG 7 2HG ARG 7 -5.628 2.645 12.085 60 1HD ARG 7 1HD ARG 7 -4.494 1.206 13.442 61 2HD ARG 7 2HD ARG 7 -3.132 2.054 12.717 62 HE ARG 7 HE ARG 7 -3.049 3.420 14.751 63 1HH1 ARG 7 1HH1 ARG 7 -4.568 0.224 16.629 64 2HH1 ARG 7 2HH1 ARG 7 -4.760 0.371 14.916 65 1HH2 ARG 7 1HH2 ARG 7 -3.462 1.833 17.809 66 2HH2 ARG 7 2HH2 ARG 7 -2.804 3.215 16.997 67 H ALA 8 H ALA 8 -5.047 1.559 10.426 68 HA ALA 8 HA ALA 8 -2.687 0.063 10.870 69 1HB ALA 8 1HB ALA 8 -4.183 -1.519 11.296 70 2HB ALA 8 2HB ALA 8 -5.462 -0.450 10.722 71 3HB ALA 8 3HB ALA 8 -4.665 -1.551 9.599 72 H ASP 9 H ASP 9 -4.587 0.691 7.912 73 HA ASP 9 HA ASP 9 -3.084 -0.888 6.173 74 1HB ASP 9 1HB ASP 9 -4.745 1.583 5.789 75 2HB ASP 9 2HB ASP 9 -3.933 0.833 4.436 76 H LYS 10 H LYS 10 -2.812 2.661 6.625 77 HA LYS 10 HA LYS 10 -0.562 3.048 5.060 78 1HB LYS 10 1HB LYS 10 -0.080 5.004 6.657 79 2HB LYS 10 2HB LYS 10 -1.604 5.008 5.787 80 1HG LYS 10 1HG LYS 10 -2.439 5.510 7.804 81 2HG LYS 10 2HG LYS 10 -2.376 3.764 8.032 82 1HD LYS 10 1HD LYS 10 -1.401 4.758 9.962 83 2HD LYS 10 2HD LYS 10 -0.083 4.073 9.011 84 1HE LYS 10 1HE LYS 10 0.712 6.173 9.634 85 2HE LYS 10 2HE LYS 10 0.134 6.414 7.987 86 1HZ LYS 10 1HZ LYS 10 -1.817 6.890 10.080 87 2HZ LYS 10 2HZ LYS 10 -0.526 7.983 10.035 88 3HZ LYS 10 3HZ LYS 10 -1.501 7.772 8.670 89 H GLU 11 H GLU 11 -0.808 2.038 8.411 90 HA GLU 11 HA GLU 11 1.962 2.066 9.000 91 1HB GLU 11 1HB GLU 11 -0.487 1.186 10.281 92 2HB GLU 11 2HB GLU 11 0.802 0.021 10.530 93 1HG GLU 11 1HG GLU 11 2.046 1.448 11.780 94 2HG GLU 11 2HG GLU 11 1.412 2.886 10.981 95 H ARG 12 H ARG 12 -0.234 -0.314 7.667 96 HA ARG 12 HA ARG 12 1.614 -2.475 7.593 97 1HB ARG 12 1HB ARG 12 -0.869 -2.723 7.548 98 2HB ARG 12 2HB ARG 12 -0.872 -2.053 5.922 99 1HG ARG 12 1HG ARG 12 0.791 -3.990 5.419 100 2HG ARG 12 2HG ARG 12 0.100 -4.702 6.877 101 1HD ARG 12 1HD ARG 12 -2.051 -3.741 5.322 102 2HD ARG 12 2HD ARG 12 -0.973 -4.609 4.230 103 HE ARG 12 HE ARG 12 -2.690 -5.754 6.159 104 1HH1 ARG 12 1HH1 ARG 12 0.573 -7.824 5.097 105 2HH1 ARG 12 2HH1 ARG 12 0.499 -6.122 4.788 106 1HH2 ARG 12 1HH2 ARG 12 -1.185 -8.885 6.107 107 2HH2 ARG 12 2HH2 ARG 12 -2.594 -7.991 6.566 108 H LEU 13 H LEU 13 0.809 0.162 5.449 109 HA LEU 13 HA LEU 13 2.120 -0.883 3.137 110 1HB LEU 13 1HB LEU 13 0.381 0.768 2.894 111 2HB LEU 13 2HB LEU 13 1.243 1.895 3.919 112 HG LEU 13 HG LEU 13 3.078 1.567 1.971 113 1HD1 LEU 13 1HD1 LEU 13 1.410 0.042 0.796 114 2HD1 LEU 13 2HD1 LEU 13 0.480 1.506 0.468 115 3HD1 LEU 13 3HD1 LEU 13 2.121 1.344 -0.158 116 1HD2 LEU 13 1HD2 LEU 13 0.879 3.472 1.387 117 2HD2 LEU 13 2HD2 LEU 13 1.686 3.597 2.953 118 3HD2 LEU 13 3HD2 LEU 13 2.622 3.739 1.463 119 H LEU 14 H LEU 14 3.062 1.030 5.896 120 HA LEU 14 HA LEU 14 5.560 1.901 4.825 121 1HB LEU 14 1HB LEU 14 4.191 1.997 7.459 122 2HB LEU 14 2HB LEU 14 5.933 2.201 7.449 123 HG LEU 14 HG LEU 14 3.915 3.917 6.005 124 1HD1 LEU 14 1HD1 LEU 14 4.830 3.996 8.640 125 2HD1 LEU 14 2HD1 LEU 14 5.727 5.259 7.795 126 3HD1 LEU 14 3HD1 LEU 14 3.964 5.261 7.768 127 1HD2 LEU 14 1HD2 LEU 14 6.638 3.414 5.375 128 2HD2 LEU 14 2HD2 LEU 14 5.530 4.561 4.631 129 3HD2 LEU 14 3HD2 LEU 14 6.510 5.052 6.012 130 H GLU 15 H GLU 15 4.544 -0.729 6.958 131 HA GLU 15 HA GLU 15 7.098 -1.655 7.652 132 1HB GLU 15 1HB GLU 15 4.343 -2.683 7.774 133 2HB GLU 15 2HB GLU 15 5.584 -3.928 7.691 134 1HG GLU 15 1HG GLU 15 5.389 -1.728 9.735 135 2HG GLU 15 2HG GLU 15 5.032 -3.436 9.987 136 H LEU 16 H LEU 16 5.019 -2.388 4.899 137 HA LEU 16 HA LEU 16 6.818 -4.398 3.872 138 1HB LEU 16 1HB LEU 16 4.232 -3.198 2.996 139 2HB LEU 16 2HB LEU 16 5.215 -4.034 1.809 140 HG LEU 16 HG LEU 16 4.744 -5.514 4.317 141 1HD1 LEU 16 1HD1 LEU 16 2.560 -4.658 4.196 142 2HD1 LEU 16 2HD1 LEU 16 2.522 -4.774 2.436 143 3HD1 LEU 16 3HD1 LEU 16 2.480 -6.239 3.419 144 1HD2 LEU 16 1HD2 LEU 16 5.727 -6.914 2.850 145 2HD2 LEU 16 2HD2 LEU 16 4.076 -7.141 2.272 146 3HD2 LEU 16 3HD2 LEU 16 5.152 -6.015 1.445 147 H LEU 17 H LEU 17 6.516 -0.995 3.651 148 HA LEU 17 HA LEU 17 7.918 -0.798 1.119 149 1HB LEU 17 1HB LEU 17 6.526 1.069 2.940 150 2HB LEU 17 2HB LEU 17 7.843 1.737 1.999 151 HG LEU 17 HG LEU 17 5.470 1.929 1.053 152 1HD1 LEU 17 1HD1 LEU 17 6.307 2.029 -1.093 153 2HD1 LEU 17 2HD1 LEU 17 7.774 2.152 -0.120 154 3HD1 LEU 17 3HD1 LEU 17 7.338 0.616 -0.867 155 1HD2 LEU 17 1HD2 LEU 17 5.385 -0.767 1.463 156 2HD2 LEU 17 2HD2 LEU 17 4.333 0.126 0.365 157 3HD2 LEU 17 3HD2 LEU 17 5.779 -0.672 -0.253 158 H LYS 18 H LYS 18 8.861 -1.301 4.272 159 HA LYS 18 HA LYS 18 10.832 -1.053 5.396 160 1HB LYS 18 1HB LYS 18 11.504 -1.481 2.599 161 2HB LYS 18 2HB LYS 18 12.735 -0.548 3.436 162 1HG LYS 18 1HG LYS 18 13.561 -2.465 4.181 163 2HG LYS 18 2HG LYS 18 12.116 -2.626 5.180 164 1HD LYS 18 1HD LYS 18 11.159 -3.527 2.833 165 2HD LYS 18 2HD LYS 18 12.854 -3.989 2.664 166 1HE LYS 18 1HE LYS 18 11.339 -4.615 5.171 167 2HE LYS 18 2HE LYS 18 11.196 -5.654 3.752 168 1HZ LYS 18 1HZ LYS 18 13.529 -5.168 5.469 169 2HZ LYS 18 2HZ LYS 18 12.926 -6.628 4.866 170 3HZ LYS 18 3HZ LYS 18 13.778 -5.582 3.848 171 H LEU 19 H LEU 19 9.233 1.321 4.397 172 HA LEU 19 HA LEU 19 11.257 3.419 4.567 173 1HB LEU 19 1HB LEU 19 9.813 3.492 2.611 174 2HB LEU 19 2HB LEU 19 8.387 3.446 3.628 175 HG LEU 19 HG LEU 19 10.101 5.675 4.299 176 1HD1 LEU 19 1HD1 LEU 19 10.342 5.195 1.688 177 2HD1 LEU 19 2HD1 LEU 19 8.831 6.107 1.672 178 3HD1 LEU 19 3HD1 LEU 19 10.287 6.825 2.361 179 1HD2 LEU 19 1HD2 LEU 19 7.245 5.153 3.692 180 2HD2 LEU 19 2HD2 LEU 19 7.984 5.894 5.112 181 3HD2 LEU 19 3HD2 LEU 19 7.832 6.815 3.615 182 HA PRO 20 HA PRO 20 10.083 3.683 8.938 183 1HB PRO 20 1HB PRO 20 11.352 6.339 8.581 184 2HB PRO 20 2HB PRO 20 11.659 5.099 9.796 185 1HG PRO 20 1HG PRO 20 13.302 5.578 7.681 186 2HG PRO 20 2HG PRO 20 13.168 4.006 8.485 187 1HD PRO 20 1HD PRO 20 12.249 4.836 5.829 188 2HD PRO 20 2HD PRO 20 12.497 3.206 6.475 189 H ARG 21 H ARG 21 9.244 5.721 10.263 190 HA ARG 21 HA ARG 21 6.867 6.621 8.849 191 1HB ARG 21 1HB ARG 21 7.651 6.316 11.690 192 2HB ARG 21 2HB ARG 21 6.517 7.609 11.322 193 1HG ARG 21 1HG ARG 21 5.258 5.729 10.015 194 2HG ARG 21 2HG ARG 21 6.177 4.662 11.078 195 1HD ARG 21 1HD ARG 21 5.257 6.495 12.852 196 2HD ARG 21 2HD ARG 21 3.939 6.472 11.681 197 HE ARG 21 HE ARG 21 3.408 4.339 12.355 198 1HH1 ARG 21 1HH1 ARG 21 6.595 3.857 14.734 199 2HH1 ARG 21 2HH1 ARG 21 6.507 5.236 13.689 200 1HH2 ARG 21 1HH2 ARG 21 4.905 2.318 14.754 201 2HH2 ARG 21 2HH2 ARG 21 3.526 2.525 13.726 202 H GLN 22 H GLN 22 9.750 7.903 10.325 203 HA GLN 22 HA GLN 22 9.199 10.598 10.481 204 1HB GLN 22 1HB GLN 22 11.327 9.149 11.028 205 2HB GLN 22 2HB GLN 22 11.849 9.699 9.443 206 1HG GLN 22 1HG GLN 22 11.183 12.053 10.415 207 2HG GLN 22 2HG GLN 22 11.456 11.235 11.954 208 1HE2 GLN 22 1HE2 GLN 22 14.533 12.465 9.695 209 2HE2 GLN 22 2HE2 GLN 22 12.880 12.770 9.297 210 H LEU 23 H LEU 23 9.982 8.682 7.669 211 HA LEU 23 HA LEU 23 9.911 11.065 5.964 212 1HB LEU 23 1HB LEU 23 11.040 9.837 4.294 213 2HB LEU 23 2HB LEU 23 11.838 9.443 5.804 214 HG LEU 23 HG LEU 23 9.861 7.700 4.333 215 1HD1 LEU 23 1HD1 LEU 23 12.836 7.531 4.714 216 2HD1 LEU 23 2HD1 LEU 23 11.842 6.160 4.205 217 3HD1 LEU 23 3HD1 LEU 23 11.936 7.612 3.199 218 1HD2 LEU 23 1HD2 LEU 23 10.592 6.022 6.062 219 2HD2 LEU 23 2HD2 LEU 23 11.236 7.382 6.973 220 3HD2 LEU 23 3HD2 LEU 23 9.514 7.297 6.611 221 H TRP 24 H TRP 24 7.643 9.303 7.201 222 HA TRP 24 HA TRP 24 6.192 8.023 5.218 223 1HB TRP 24 1HB TRP 24 5.512 7.833 7.510 224 2HB TRP 24 2HB TRP 24 5.271 9.569 7.648 225 HD1 TRP 24 HD1 TRP 24 2.801 10.164 7.719 226 HE1 TRP 24 HE1 TRP 24 0.629 9.223 6.710 227 HE3 TRP 24 HE3 TRP 24 4.757 6.265 5.054 228 HZ2 TRP 24 HZ2 TRP 24 -0.156 7.107 5.015 229 HZ3 TRP 24 HZ3 TRP 24 3.225 4.826 3.767 230 HH2 TRP 24 HH2 TRP 24 0.822 5.244 3.748 231 H GLY 25 H GLY 25 6.249 9.089 3.253 232 1HA GLY 25 1HA GLY 25 4.297 10.523 2.250 233 2HA GLY 25 2HA GLY 25 5.144 11.798 3.115 234 H ASP 26 H ASP 26 7.748 10.381 2.524 235 HA ASP 26 HA ASP 26 8.531 11.877 0.308 236 1HB ASP 26 1HB ASP 26 9.987 10.770 2.105 237 2HB ASP 26 2HB ASP 26 9.875 9.307 1.130 238 H PHE 27 H PHE 27 7.323 11.642 -1.514 239 HA PHE 27 HA PHE 27 6.297 9.298 -2.582 240 1HB PHE 27 1HB PHE 27 5.793 11.709 -3.246 241 2HB PHE 27 2HB PHE 27 7.219 11.608 -4.276 242 HD1 PHE 27 HD1 PHE 27 6.776 11.215 -6.482 243 HD2 PHE 27 HD2 PHE 27 4.245 9.470 -3.538 244 HE1 PHE 27 HE1 PHE 27 5.423 10.186 -8.260 245 HE2 PHE 27 HE2 PHE 27 2.888 8.438 -5.312 246 HZ PHE 27 HZ PHE 27 3.476 8.794 -7.676 247 H GLY 28 H GLY 28 9.388 10.888 -3.317 248 1HA GLY 28 1HA GLY 28 10.203 9.096 -5.323 249 2HA GLY 28 2HA GLY 28 11.269 10.123 -4.379 250 H ARG 29 H ARG 29 10.696 8.991 -1.814 251 HA ARG 29 HA ARG 29 12.408 6.682 -2.008 252 1HB ARG 29 1HB ARG 29 11.889 8.635 -0.063 253 2HB ARG 29 2HB ARG 29 11.367 7.116 0.647 254 1HG ARG 29 1HG ARG 29 14.063 7.475 -0.628 255 2HG ARG 29 2HG ARG 29 13.755 7.796 1.080 256 1HD ARG 29 1HD ARG 29 14.209 5.639 1.420 257 2HD ARG 29 2HD ARG 29 12.639 5.306 0.692 258 HE ARG 29 HE ARG 29 14.361 5.493 -1.423 259 1HH1 ARG 29 1HH1 ARG 29 15.016 2.199 0.761 260 2HH1 ARG 29 2HH1 ARG 29 14.212 3.555 1.476 261 1HH2 ARG 29 1HH2 ARG 29 15.702 2.287 -1.420 262 2HH2 ARG 29 2HH2 ARG 29 15.420 3.711 -2.364 263 H MET 30 H MET 30 9.024 7.282 -1.136 264 HA MET 30 HA MET 30 8.487 4.672 -0.206 265 1HB MET 30 1HB MET 30 6.137 5.230 -0.428 266 2HB MET 30 2HB MET 30 7.017 6.582 0.267 267 1HG MET 30 1HG MET 30 7.056 7.643 -1.966 268 2HG MET 30 2HG MET 30 6.066 6.321 -2.574 269 1HE MET 30 1HE MET 30 4.620 9.007 0.859 270 2HE MET 30 2HE MET 30 4.974 7.305 1.150 271 3HE MET 30 3HE MET 30 6.256 8.394 0.618 272 H GLN 31 H GLN 31 8.031 6.154 -3.412 273 HA GLN 31 HA GLN 31 6.927 3.876 -4.639 274 1HB GLN 31 1HB GLN 31 6.977 6.259 -5.541 275 2HB GLN 31 2HB GLN 31 8.632 5.935 -6.039 276 1HG GLN 31 1HG GLN 31 7.723 3.961 -7.326 277 2HG GLN 31 2HG GLN 31 6.117 4.614 -7.007 278 1HE2 GLN 31 1HE2 GLN 31 8.483 6.185 -9.872 279 2HE2 GLN 31 2HE2 GLN 31 8.993 4.886 -8.853 280 H GLN 32 H GLN 32 10.272 4.985 -4.292 281 HA GLN 32 HA GLN 32 11.511 3.050 -5.885 282 1HB GLN 32 1HB GLN 32 12.376 5.153 -4.358 283 2HB GLN 32 2HB GLN 32 12.978 3.780 -3.441 284 1HG GLN 32 1HG GLN 32 14.662 3.549 -4.849 285 2HG GLN 32 2HG GLN 32 13.540 3.336 -6.191 286 1HE2 GLN 32 1HE2 GLN 32 13.745 6.699 -7.285 287 2HE2 GLN 32 2HE2 GLN 32 12.690 5.336 -7.169 288 H ALA 33 H ALA 33 10.447 2.971 -2.532 289 HA ALA 33 HA ALA 33 11.558 0.391 -1.974 290 1HB ALA 33 1HB ALA 33 9.493 0.837 -0.154 291 2HB ALA 33 2HB ALA 33 11.207 1.181 0.081 292 3HB ALA 33 3HB ALA 33 10.129 2.440 -0.522 293 H TYR 34 H TYR 34 8.343 1.638 -2.791 294 HA TYR 34 HA TYR 34 6.886 -0.720 -2.610 295 1HB TYR 34 1HB TYR 34 5.797 1.432 -2.929 296 2HB TYR 34 2HB TYR 34 6.535 1.603 -4.519 297 HD1 TYR 34 HD1 TYR 34 5.947 -0.235 -6.259 298 HD2 TYR 34 HD2 TYR 34 3.659 0.517 -2.746 299 HE1 TYR 34 HE1 TYR 34 4.013 -1.352 -7.287 300 HE2 TYR 34 HE2 TYR 34 1.726 -0.611 -3.767 301 HH TYR 34 HH TYR 34 1.540 -2.530 -5.750 302 H LYS 35 H LYS 35 8.700 0.616 -5.344 303 HA LYS 35 HA LYS 35 8.077 -1.433 -7.181 304 1HB LYS 35 1HB LYS 35 10.237 0.639 -7.011 305 2HB LYS 35 2HB LYS 35 10.290 -0.592 -8.264 306 1HG LYS 35 1HG LYS 35 7.986 0.130 -8.937 307 2HG LYS 35 2HG LYS 35 8.165 1.485 -7.820 308 1HD LYS 35 1HD LYS 35 8.917 2.493 -9.721 309 2HD LYS 35 2HD LYS 35 10.437 1.790 -9.166 310 1HE LYS 35 1HE LYS 35 8.567 0.426 -11.092 311 2HE LYS 35 2HE LYS 35 9.923 1.434 -11.595 312 1HZ LYS 35 1HZ LYS 35 10.910 -0.598 -11.603 313 2HZ LYS 35 2HZ LYS 35 11.209 -0.180 -9.993 314 3HZ LYS 35 3HZ LYS 35 9.934 -1.223 -10.372 315 H GLN 36 H GLN 36 10.431 -1.162 -4.637 316 HA GLN 36 HA GLN 36 12.113 -3.291 -5.522 317 1HB GLN 36 1HB GLN 36 12.390 -1.303 -3.693 318 2HB GLN 36 2HB GLN 36 12.052 -2.669 -2.638 319 1HG GLN 36 1HG GLN 36 14.222 -3.112 -2.746 320 2HG GLN 36 2HG GLN 36 13.917 -3.679 -4.387 321 1HE2 GLN 36 1HE2 GLN 36 14.919 -0.403 -5.734 322 2HE2 GLN 36 2HE2 GLN 36 13.495 -1.382 -5.750 323 H GLN 37 H GLN 37 9.542 -3.033 -3.076 324 HA GLN 37 HA GLN 37 9.705 -5.846 -2.459 325 1HB GLN 37 1HB GLN 37 7.627 -3.826 -1.611 326 2HB GLN 37 2HB GLN 37 7.896 -5.412 -0.900 327 1HG GLN 37 1HG GLN 37 10.291 -3.762 -0.935 328 2HG GLN 37 2HG GLN 37 8.964 -3.043 -0.023 329 1HE2 GLN 37 1HE2 GLN 37 11.191 -5.670 1.783 330 2HE2 GLN 37 2HE2 GLN 37 11.629 -4.623 0.481 331 H SER 38 H SER 38 7.957 -3.878 -4.680 332 HA SER 38 HA SER 38 5.732 -5.640 -5.028 333 1HB SER 38 1HB SER 38 5.218 -4.274 -6.999 334 2HB SER 38 2HB SER 38 5.601 -3.248 -5.617 335 HG SER 38 HG SER 38 7.456 -3.977 -7.636 336 H LEU 39 H LEU 39 8.938 -5.386 -6.367 337 HA LEU 39 HA LEU 39 8.472 -7.081 -8.618 338 1HB LEU 39 1HB LEU 39 10.882 -5.928 -7.283 339 2HB LEU 39 2HB LEU 39 11.092 -7.243 -8.423 340 HG LEU 39 HG LEU 39 9.674 -4.667 -9.096 341 1HD1 LEU 39 1HD1 LEU 39 12.350 -5.239 -10.200 342 2HD1 LEU 39 2HD1 LEU 39 11.610 -3.704 -9.743 343 3HD1 LEU 39 3HD1 LEU 39 12.288 -4.761 -8.503 344 1HD2 LEU 39 1HD2 LEU 39 9.499 -5.436 -11.233 345 2HD2 LEU 39 2HD2 LEU 39 10.927 -6.463 -11.101 346 3HD2 LEU 39 3HD2 LEU 39 9.403 -6.973 -10.373 347 H LEU 40 H LEU 40 9.597 -7.569 -5.317 348 HA LEU 40 HA LEU 40 10.200 -10.360 -5.801 349 1HB LEU 40 1HB LEU 40 10.760 -10.440 -3.420 350 2HB LEU 40 2HB LEU 40 11.589 -9.132 -4.244 351 HG LEU 40 HG LEU 40 9.443 -7.789 -3.331 352 1HD1 LEU 40 1HD1 LEU 40 9.110 -8.543 -0.961 353 2HD1 LEU 40 2HD1 LEU 40 8.393 -9.586 -2.188 354 3HD1 LEU 40 3HD1 LEU 40 9.902 -10.054 -1.406 355 1HD2 LEU 40 1HD2 LEU 40 12.062 -8.391 -1.989 356 2HD2 LEU 40 2HD2 LEU 40 11.617 -6.980 -2.948 357 3HD2 LEU 40 3HD2 LEU 40 10.920 -7.212 -1.345 358 H LEU 41 H LEU 41 7.451 -8.527 -5.005 359 HA LEU 41 HA LEU 41 6.118 -10.758 -3.673 360 1HB LEU 41 1HB LEU 41 5.513 -7.860 -4.052 361 2HB LEU 41 2HB LEU 41 4.186 -8.964 -3.752 362 HG LEU 41 HG LEU 41 6.575 -8.803 -1.932 363 1HD1 LEU 41 1HD1 LEU 41 4.494 -7.542 -0.634 364 2HD1 LEU 41 2HD1 LEU 41 5.906 -6.761 -1.346 365 3HD1 LEU 41 3HD1 LEU 41 4.412 -6.894 -2.273 366 1HD2 LEU 41 1HD2 LEU 41 4.689 -9.607 -0.338 367 2HD2 LEU 41 2HD2 LEU 41 3.866 -10.062 -1.830 368 3HD2 LEU 41 3HD2 LEU 41 5.441 -10.756 -1.444 369 H HIS 42 H HIS 42 6.869 -10.385 -6.681 370 HA HIS 42 HA HIS 42 4.252 -10.603 -7.910 371 1HB HIS 42 1HB HIS 42 6.273 -9.352 -8.905 372 2HB HIS 42 2HB HIS 42 6.886 -10.950 -9.318 373 HD1 HIS 42 HD1 HIS 42 6.087 -11.919 -11.466 374 HD2 HIS 42 HD2 HIS 42 3.680 -8.793 -10.164 375 HE1 HIS 42 HE1 HIS 42 4.453 -11.508 -13.331 376 HE2 HIS 42 HE2 HIS 42 3.042 -9.574 -12.545 377 HA PRO 43 HA PRO 43 3.825 -14.997 -7.678 378 1HB PRO 43 1HB PRO 43 2.959 -14.689 -10.517 379 2HB PRO 43 2HB PRO 43 2.165 -15.536 -9.185 380 1HG PRO 43 1HG PRO 43 1.303 -13.147 -10.017 381 2HG PRO 43 2HG PRO 43 1.281 -13.592 -8.302 382 1HD PRO 43 1HD PRO 43 3.086 -11.729 -9.749 383 2HD PRO 43 2HD PRO 43 2.553 -11.708 -8.058 384 H ASP 44 H ASP 44 5.588 -13.431 -10.269 385 HA ASP 44 HA ASP 44 6.802 -15.916 -11.150 386 1HB ASP 44 1HB ASP 44 6.161 -13.996 -12.696 387 2HB ASP 44 2HB ASP 44 7.549 -13.133 -12.038 388 H LYS 45 H LYS 45 7.546 -13.277 -9.027 389 HA LYS 45 HA LYS 45 10.336 -14.168 -8.835 390 1HB LYS 45 1HB LYS 45 8.977 -11.633 -7.922 391 2HB LYS 45 2HB LYS 45 10.636 -12.041 -7.510 392 1HG LYS 45 1HG LYS 45 11.023 -10.756 -9.337 393 2HG LYS 45 2HG LYS 45 10.831 -12.317 -10.137 394 1HD LYS 45 1HD LYS 45 8.520 -11.810 -10.649 395 2HD LYS 45 2HD LYS 45 8.625 -10.296 -9.751 396 1HE LYS 45 1HE LYS 45 8.816 -9.771 -12.067 397 2HE LYS 45 2HE LYS 45 10.409 -9.570 -11.343 398 1HZ LYS 45 1HZ LYS 45 10.810 -11.949 -12.134 399 2HZ LYS 45 2HZ LYS 45 9.456 -11.726 -13.122 400 3HZ LYS 45 3HZ LYS 45 10.807 -10.725 -13.303 401 H GLY 46 H GLY 46 8.112 -15.665 -7.698 402 1HA GLY 46 1HA GLY 46 7.734 -16.876 -5.781 403 2HA GLY 46 2HA GLY 46 9.221 -16.190 -5.140 404 H GLY 47 H GLY 47 6.171 -14.647 -6.128 405 1HA GLY 47 1HA GLY 47 6.000 -13.534 -3.394 406 2HA GLY 47 2HA GLY 47 5.491 -12.671 -4.836 407 H SER 48 H SER 48 3.868 -13.083 -2.569 408 HA SER 48 HA SER 48 2.000 -15.195 -3.285 409 1HB SER 48 1HB SER 48 2.512 -13.529 -0.903 410 2HB SER 48 2HB SER 48 0.812 -13.889 -1.209 411 HG SER 48 HG SER 48 2.933 -15.751 -0.914 412 H HIS 49 H HIS 49 -0.324 -14.713 -3.431 413 HA HIS 49 HA HIS 49 -0.764 -12.478 -5.209 414 1HB HIS 49 1HB HIS 49 -1.784 -14.986 -5.147 415 2HB HIS 49 2HB HIS 49 -3.071 -14.108 -4.328 416 HD1 HIS 49 HD1 HIS 49 -3.435 -15.404 -7.136 417 HD2 HIS 49 HD2 HIS 49 -2.488 -11.416 -6.458 418 HE1 HIS 49 HE1 HIS 49 -4.186 -14.176 -9.198 419 HE2 HIS 49 HE2 HIS 49 -3.526 -11.777 -8.801 420 H ALA 50 H ALA 50 -2.061 -13.591 -2.095 421 HA ALA 50 HA ALA 50 -3.825 -11.472 -1.641 422 1HB ALA 50 1HB ALA 50 -2.325 -12.932 0.520 423 2HB ALA 50 2HB ALA 50 -3.927 -12.200 0.609 424 3HB ALA 50 3HB ALA 50 -3.673 -13.645 -0.368 425 H LEU 51 H LEU 51 -0.371 -11.656 -1.331 426 HA LEU 51 HA LEU 51 -0.154 -9.292 0.307 427 1HB LEU 51 1HB LEU 51 1.728 -11.226 -0.932 428 2HB LEU 51 2HB LEU 51 2.343 -9.621 -0.586 429 HG LEU 51 HG LEU 51 1.052 -10.348 1.763 430 1HD1 LEU 51 1HD1 LEU 51 0.972 -12.669 0.758 431 2HD1 LEU 51 2HD1 LEU 51 2.729 -12.686 0.896 432 3HD1 LEU 51 3HD1 LEU 51 1.733 -12.529 2.342 433 1HD2 LEU 51 1HD2 LEU 51 3.138 -10.110 2.723 434 2HD2 LEU 51 2HD2 LEU 51 3.969 -10.852 1.356 435 3HD2 LEU 51 3HD2 LEU 51 3.325 -9.215 1.215 436 H MET 52 H MET 52 0.705 -10.118 -3.057 437 HA MET 52 HA MET 52 1.583 -7.647 -3.908 438 1HB MET 52 1HB MET 52 1.464 -9.901 -5.171 439 2HB MET 52 2HB MET 52 -0.137 -9.372 -5.669 440 1HG MET 52 1HG MET 52 1.390 -8.811 -7.398 441 2HG MET 52 2HG MET 52 0.905 -7.315 -6.602 442 1HE MET 52 1HE MET 52 2.059 -5.839 -5.559 443 2HE MET 52 2HE MET 52 3.727 -5.853 -4.987 444 3HE MET 52 3HE MET 52 3.379 -5.512 -6.682 445 H GLN 53 H GLN 53 -1.741 -8.859 -3.764 446 HA GLN 53 HA GLN 53 -2.923 -6.534 -4.894 447 1HB GLN 53 1HB GLN 53 -5.046 -7.468 -3.956 448 2HB GLN 53 2HB GLN 53 -4.148 -8.594 -4.964 449 1HG GLN 53 1HG GLN 53 -4.353 -10.058 -3.315 450 2HG GLN 53 2HG GLN 53 -3.189 -9.081 -2.420 451 1HE2 GLN 53 1HE2 GLN 53 -7.183 -8.731 -1.576 452 2HE2 GLN 53 2HE2 GLN 53 -6.657 -9.199 -3.154 453 H GLU 54 H GLU 54 -2.078 -7.523 -1.642 454 HA GLU 54 HA GLU 54 -3.543 -5.564 -0.239 455 1HB GLU 54 1HB GLU 54 -1.879 -7.684 0.435 456 2HB GLU 54 2HB GLU 54 -1.010 -6.272 1.017 457 1HG GLU 54 1HG GLU 54 -2.492 -5.866 2.652 458 2HG GLU 54 2HG GLU 54 -3.875 -6.332 1.660 459 H LEU 55 H LEU 55 -0.144 -5.646 -1.290 460 HA LEU 55 HA LEU 55 0.475 -3.038 -0.395 461 1HB LEU 55 1HB LEU 55 2.245 -4.584 -0.743 462 2HB LEU 55 2HB LEU 55 1.746 -4.891 -2.394 463 HG LEU 55 HG LEU 55 2.308 -2.378 -2.770 464 1HD1 LEU 55 1HD1 LEU 55 3.864 -2.984 -0.263 465 2HD1 LEU 55 2HD1 LEU 55 4.155 -1.607 -1.325 466 3HD1 LEU 55 3HD1 LEU 55 2.622 -1.749 -0.465 467 1HD2 LEU 55 1HD2 LEU 55 3.619 -4.735 -3.219 468 2HD2 LEU 55 2HD2 LEU 55 4.112 -3.157 -3.835 469 3HD2 LEU 55 3HD2 LEU 55 4.830 -3.787 -2.352 470 H ASN 56 H ASN 56 -0.698 -4.335 -3.458 471 HA ASN 56 HA ASN 56 -0.419 -1.976 -4.982 472 1HB ASN 56 1HB ASN 56 -1.700 -4.586 -5.292 473 2HB ASN 56 2HB ASN 56 -2.593 -3.290 -6.081 474 1HD2 ASN 56 1HD2 ASN 56 0.908 -4.635 -7.575 475 2HD2 ASN 56 2HD2 ASN 56 0.247 -5.223 -6.090 476 H SER 57 H SER 57 -3.209 -3.339 -3.248 477 HA SER 57 HA SER 57 -4.945 -1.167 -3.804 478 1HB SER 57 1HB SER 57 -4.987 -3.553 -2.036 479 2HB SER 57 2HB SER 57 -6.036 -2.214 -1.571 480 HG SER 57 HG SER 57 -7.324 -2.767 -3.122 481 H LEU 58 H LEU 58 -2.506 -1.739 -1.402 482 HA LEU 58 HA LEU 58 -3.390 0.329 0.386 483 1HB LEU 58 1HB LEU 58 -1.049 -1.505 0.223 484 2HB LEU 58 2HB LEU 58 -0.896 -0.058 1.201 485 HG LEU 58 HG LEU 58 -3.100 -2.084 1.564 486 1HD1 LEU 58 1HD1 LEU 58 -0.818 -3.022 1.957 487 2HD1 LEU 58 2HD1 LEU 58 -0.595 -1.799 3.208 488 3HD1 LEU 58 3HD1 LEU 58 -1.865 -3.011 3.376 489 1HD2 LEU 58 1HD2 LEU 58 -3.527 0.222 2.372 490 2HD2 LEU 58 2HD2 LEU 58 -3.475 -0.971 3.667 491 3HD2 LEU 58 3HD2 LEU 58 -2.098 0.093 3.394 492 H TRP 59 H TRP 59 -1.313 0.121 -2.393 493 HA TRP 59 HA TRP 59 -0.137 2.731 -1.890 494 1HB TRP 59 1HB TRP 59 1.356 1.078 -2.782 495 2HB TRP 59 2HB TRP 59 0.236 0.679 -4.076 496 HD1 TRP 59 HD1 TRP 59 0.688 1.805 -6.319 497 HE1 TRP 59 HE1 TRP 59 2.145 3.760 -7.140 498 HE3 TRP 59 HE3 TRP 59 2.320 3.570 -1.796 499 HZ2 TRP 59 HZ2 TRP 59 3.773 5.776 -6.024 500 HZ3 TRP 59 HZ3 TRP 59 3.826 5.502 -1.773 501 HH2 TRP 59 HH2 TRP 59 4.537 6.588 -3.839 502 H GLY 60 H GLY 60 -2.660 1.214 -3.738 503 1HA GLY 60 1HA GLY 60 -3.043 3.332 -5.619 504 2HA GLY 60 2HA GLY 60 -4.178 2.039 -5.268 505 H THR 61 H THR 61 -5.087 2.291 -2.869 506 HA THR 61 HA THR 61 -6.785 4.490 -2.819 507 HB THR 61 HB THR 61 -6.558 2.264 -1.322 508 HG1 THR 61 HG1 THR 61 -7.819 4.541 -0.247 509 1HG2 THR 61 1HG2 THR 61 -4.810 2.846 0.118 510 2HG2 THR 61 2HG2 THR 61 -5.536 4.417 0.460 511 3HG2 THR 61 3HG2 THR 61 -6.309 2.945 1.035 512 H PHE 62 H PHE 62 -3.799 3.879 -1.141 513 HA PHE 62 HA PHE 62 -3.305 6.185 0.264 514 1HB PHE 62 1HB PHE 62 -1.806 4.277 0.299 515 2HB PHE 62 2HB PHE 62 -1.451 4.483 -1.415 516 HD1 PHE 62 HD1 PHE 62 -1.600 7.528 0.518 517 HD2 PHE 62 HD2 PHE 62 0.922 4.323 -0.713 518 HE1 PHE 62 HE1 PHE 62 0.383 8.873 1.081 519 HE2 PHE 62 HE2 PHE 62 2.902 5.663 -0.149 520 HZ PHE 62 HZ PHE 62 2.637 7.933 0.743 521 H LYS 63 H LYS 63 -2.455 5.466 -3.065 522 HA LYS 63 HA LYS 63 -1.408 7.926 -3.819 523 1HB LYS 63 1HB LYS 63 -2.201 5.444 -5.045 524 2HB LYS 63 2HB LYS 63 -2.703 6.777 -6.051 525 1HG LYS 63 1HG LYS 63 -0.378 7.637 -5.998 526 2HG LYS 63 2HG LYS 63 0.085 6.189 -5.101 527 1HD LYS 63 1HD LYS 63 -1.084 6.285 -7.882 528 2HD LYS 63 2HD LYS 63 0.585 5.908 -7.460 529 1HE LYS 63 1HE LYS 63 0.018 3.766 -7.334 530 2HE LYS 63 2HE LYS 63 -1.013 4.147 -5.955 531 1HZ LYS 63 1HZ LYS 63 -2.703 4.794 -7.777 532 2HZ LYS 63 2HZ LYS 63 -1.741 3.844 -8.793 533 3HZ LYS 63 3HZ LYS 63 -2.463 3.156 -7.429 534 H THR 64 H THR 64 -4.760 6.759 -3.811 535 HA THR 64 HA THR 64 -5.999 8.751 -5.273 536 HB THR 64 HB THR 64 -7.254 7.856 -2.706 537 HG1 THR 64 HG1 THR 64 -7.786 5.873 -3.842 538 1HG2 THR 64 1HG2 THR 64 -8.889 8.918 -3.849 539 2HG2 THR 64 2HG2 THR 64 -8.167 8.577 -5.422 540 3HG2 THR 64 3HG2 THR 64 -9.063 7.320 -4.572 541 H GLU 65 H GLU 65 -4.775 8.786 -2.002 542 HA GLU 65 HA GLU 65 -5.707 11.486 -1.498 543 1HB GLU 65 1HB GLU 65 -3.751 9.972 0.216 544 2HB GLU 65 2HB GLU 65 -4.885 11.227 0.695 545 1HG GLU 65 1HG GLU 65 -6.017 8.721 -0.399 546 2HG GLU 65 2HG GLU 65 -5.282 8.654 1.201 547 H VAL 66 H VAL 66 -2.852 9.786 -2.524 548 HA VAL 66 HA VAL 66 -0.902 11.694 -2.054 549 HB VAL 66 HB VAL 66 -1.098 9.623 -4.210 550 1HG1 VAL 66 1HG1 VAL 66 0.612 10.546 -5.286 551 2HG1 VAL 66 2HG1 VAL 66 0.697 11.849 -4.102 552 3HG1 VAL 66 3HG1 VAL 66 1.597 10.357 -3.836 553 1HG2 VAL 66 1HG2 VAL 66 0.542 8.449 -2.826 554 2HG2 VAL 66 2HG2 VAL 66 0.534 9.791 -1.678 555 3HG2 VAL 66 3HG2 VAL 66 -0.917 8.816 -1.906 556 H TYR 67 H TYR 67 -2.762 11.145 -5.034 557 HA TYR 67 HA TYR 67 -1.777 13.280 -6.513 558 1HB TYR 67 1HB TYR 67 -3.734 11.322 -6.849 559 2HB TYR 67 2HB TYR 67 -4.613 12.840 -6.989 560 HD1 TYR 67 HD1 TYR 67 -3.092 10.419 -8.858 561 HD2 TYR 67 HD2 TYR 67 -3.120 14.654 -8.444 562 HE1 TYR 67 HE1 TYR 67 -2.315 10.645 -11.179 563 HE2 TYR 67 HE2 TYR 67 -2.344 14.893 -10.764 564 HH TYR 67 HH TYR 67 -0.984 13.331 -12.420 565 H ASN 68 H ASN 68 -4.161 13.202 -3.971 566 HA ASN 68 HA ASN 68 -4.966 15.955 -4.448 567 1HB ASN 68 1HB ASN 68 -5.915 13.744 -2.675 568 2HB ASN 68 2HB ASN 68 -6.306 15.407 -2.243 569 1HD2 ASN 68 1HD2 ASN 68 -8.498 13.508 -4.925 570 2HD2 ASN 68 2HD2 ASN 68 -7.392 12.763 -3.827 571 H LEU 69 H LEU 69 -2.724 14.208 -2.490 572 HA LEU 69 HA LEU 69 -2.549 15.913 -0.273 573 1HB LEU 69 1HB LEU 69 -0.704 14.708 0.348 574 2HB LEU 69 2HB LEU 69 -1.434 13.589 -0.781 575 HG LEU 69 HG LEU 69 0.165 14.727 -2.519 576 1HD1 LEU 69 1HD1 LEU 69 2.364 15.157 -1.115 577 2HD1 LEU 69 2HD1 LEU 69 1.219 16.452 -1.467 578 3HD1 LEU 69 3HD1 LEU 69 1.193 15.655 0.107 579 1HD2 LEU 69 1HD2 LEU 69 1.971 13.146 -1.041 580 2HD2 LEU 69 2HD2 LEU 69 0.365 12.469 -0.775 581 3HD2 LEU 69 3HD2 LEU 69 0.978 12.664 -2.415 582 H ARG 70 H ARG 70 -1.260 16.178 -3.501 583 HA ARG 70 HA ARG 70 0.469 18.375 -2.833 584 1HB ARG 70 1HB ARG 70 -0.293 17.214 -5.509 585 2HB ARG 70 2HB ARG 70 0.913 18.469 -5.274 586 1HG ARG 70 1HG ARG 70 2.437 16.883 -5.039 587 2HG ARG 70 2HG ARG 70 1.640 16.395 -3.542 588 1HD ARG 70 1HD ARG 70 0.143 14.934 -4.884 589 2HD ARG 70 2HD ARG 70 1.083 15.351 -6.315 590 HE ARG 70 HE ARG 70 1.823 13.522 -4.224 591 1HH1 ARG 70 1HH1 ARG 70 4.499 14.732 -6.949 592 2HH1 ARG 70 2HH1 ARG 70 3.015 15.604 -6.759 593 1HH2 ARG 70 1HH2 ARG 70 4.930 12.898 -5.652 594 2HH2 ARG 70 2HH2 ARG 70 3.775 12.374 -4.473 595 H MET 71 H MET 71 -2.708 18.191 -3.038 596 HA MET 71 HA MET 71 -2.987 20.924 -4.094 597 1HB MET 71 1HB MET 71 -5.040 18.704 -4.194 598 2HB MET 71 2HB MET 71 -5.273 20.345 -4.782 599 1HG MET 71 1HG MET 71 -3.116 18.550 -5.841 600 2HG MET 71 2HG MET 71 -4.750 18.565 -6.503 601 1HE MET 71 1HE MET 71 -4.898 19.188 -8.432 602 2HE MET 71 2HE MET 71 -5.082 20.897 -8.827 603 3HE MET 71 3HE MET 71 -3.637 20.026 -9.337 604 H ASN 72 H ASN 72 -4.526 18.556 -1.920 605 HA ASN 72 HA ASN 72 -6.061 20.405 -0.473 606 1HB ASN 72 1HB ASN 72 -5.074 17.629 0.063 607 2HB ASN 72 2HB ASN 72 -5.831 18.538 1.366 608 1HD2 ASN 72 1HD2 ASN 72 -8.140 17.779 -1.932 609 2HD2 ASN 72 2HD2 ASN 72 -6.484 18.235 -2.112 610 H LEU 73 H LEU 73 -5.609 21.769 1.149 611 HA LEU 73 HA LEU 73 -3.097 21.475 2.612 612 1HB LEU 73 1HB LEU 73 -3.562 23.439 0.587 613 2HB LEU 73 2HB LEU 73 -3.440 24.251 2.134 614 HG LEU 73 HG LEU 73 -1.296 22.609 2.291 615 1HD1 LEU 73 1HD1 LEU 73 -0.866 21.690 0.310 616 2HD1 LEU 73 2HD1 LEU 73 -2.046 22.712 -0.510 617 3HD1 LEU 73 3HD1 LEU 73 -0.409 23.306 -0.227 618 1HD2 LEU 73 1HD2 LEU 73 -1.810 25.384 1.854 619 2HD2 LEU 73 2HD2 LEU 73 -0.436 24.622 2.653 620 3HD2 LEU 73 3HD2 LEU 73 -0.397 24.905 0.913 621 H GLY 74 H GLY 74 -6.002 23.506 2.252 622 1HA GLY 74 1HA GLY 74 -7.586 23.353 4.181 623 2HA GLY 74 2HA GLY 74 -6.174 23.587 5.203 624 H GLY 75 H GLY 75 -6.808 25.278 2.175 625 1HA GLY 75 1HA GLY 75 -8.123 27.504 2.729 626 2HA GLY 75 2HA GLY 75 -6.641 27.808 3.622 627 H THR 76 H THR 76 -4.739 28.252 2.516 628 HA THR 76 HA THR 76 -5.137 29.204 -0.204 629 HB THR 76 HB THR 76 -2.695 30.014 0.197 630 HG1 THR 76 HG1 THR 76 -3.467 29.692 2.893 631 1HG2 THR 76 1HG2 THR 76 -5.174 31.084 1.415 632 2HG2 THR 76 2HG2 THR 76 -3.634 31.800 1.891 633 3HG2 THR 76 3HG2 THR 76 -4.113 31.785 0.193 634 H GLY 77 H GLY 77 -4.442 28.185 -1.971 635 1HA GLY 77 1HA GLY 77 -2.755 25.800 -1.606 636 2HA GLY 77 2HA GLY 77 -3.830 26.087 -2.965 637 H PHE 78 H PHE 78 -3.067 28.690 -3.640 638 HA PHE 78 HA PHE 78 -0.600 28.131 -5.026 639 1HB PHE 78 1HB PHE 78 -2.625 30.343 -5.104 640 2HB PHE 78 2HB PHE 78 -1.048 30.576 -5.850 641 HD1 PHE 78 HD1 PHE 78 -4.322 29.542 -6.418 642 HD2 PHE 78 HD2 PHE 78 -0.304 28.566 -7.423 643 HE1 PHE 78 HE1 PHE 78 -5.113 28.384 -8.439 644 HE2 PHE 78 HE2 PHE 78 -1.087 27.408 -9.447 645 HZ PHE 78 HZ PHE 78 -3.495 27.315 -9.958 646 H GLN 79 H GLN 79 1.366 29.107 -4.742 647 HA GLN 79 HA GLN 79 1.699 30.575 -2.225 648 1HB GLN 79 1HB GLN 79 3.136 28.470 -3.408 649 2HB GLN 79 2HB GLN 79 4.183 29.876 -3.522 650 1HG GLN 79 1HG GLN 79 2.873 28.955 -0.977 651 2HG GLN 79 2HG GLN 79 4.503 28.505 -1.475 652 1HE2 GLN 79 1HE2 GLN 79 5.643 31.966 -1.189 653 2HE2 GLN 79 2HE2 GLN 79 5.602 30.728 -2.393 Start of MODEL 14 1 1H MET 1 1H MET 1 -17.091 3.077 -3.493 2 2H MET 1 2H MET 1 -18.294 1.930 -3.919 3 3H MET 1 3H MET 1 -18.740 3.393 -3.142 4 HA MET 1 HA MET 1 -18.784 2.100 -1.367 5 1HB MET 1 1HB MET 1 -16.744 0.433 -2.840 6 2HB MET 1 2HB MET 1 -17.226 0.092 -1.183 7 1HG MET 1 1HG MET 1 -19.288 -0.654 -1.786 8 2HG MET 1 2HG MET 1 -19.365 0.372 -3.217 9 1HE MET 1 1HE MET 1 -19.735 -2.594 -5.260 10 2HE MET 1 2HE MET 1 -20.161 -3.069 -3.616 11 3HE MET 1 3HE MET 1 -20.541 -1.445 -4.190 12 H ASP 2 H ASP 2 -17.497 1.917 0.601 13 HA ASP 2 HA ASP 2 -15.732 4.093 0.928 14 1HB ASP 2 1HB ASP 2 -16.983 2.099 2.605 15 2HB ASP 2 2HB ASP 2 -15.303 2.336 3.083 16 H ARG 3 H ARG 3 -13.694 4.233 0.285 17 HA ARG 3 HA ARG 3 -11.991 1.842 0.459 18 1HB ARG 3 1HB ARG 3 -12.474 3.624 -1.886 19 2HB ARG 3 2HB ARG 3 -10.847 3.000 -1.645 20 1HG ARG 3 1HG ARG 3 -13.355 1.365 -1.960 21 2HG ARG 3 2HG ARG 3 -12.081 1.584 -3.162 22 1HD ARG 3 1HD ARG 3 -10.597 0.688 -1.129 23 2HD ARG 3 2HD ARG 3 -12.127 -0.083 -0.716 24 HE ARG 3 HE ARG 3 -10.773 -0.436 -3.314 25 1HH1 ARG 3 1HH1 ARG 3 -12.722 -3.310 -1.316 26 2HH1 ARG 3 2HH1 ARG 3 -12.627 -1.722 -0.639 27 1HH2 ARG 3 1HH2 ARG 3 -11.744 -3.770 -3.325 28 2HH2 ARG 3 2HH2 ARG 3 -10.903 -2.528 -4.191 29 H VAL 4 H VAL 4 -11.621 3.094 2.543 30 HA VAL 4 HA VAL 4 -9.303 4.835 2.126 31 HB VAL 4 HB VAL 4 -10.031 6.285 4.015 32 1HG1 VAL 4 1HG1 VAL 4 -10.274 7.093 1.774 33 2HG1 VAL 4 2HG1 VAL 4 -11.778 6.194 1.563 34 3HG1 VAL 4 3HG1 VAL 4 -11.712 7.553 2.687 35 1HG2 VAL 4 1HG2 VAL 4 -12.847 5.463 3.657 36 2HG2 VAL 4 2HG2 VAL 4 -11.824 4.390 4.607 37 3HG2 VAL 4 3HG2 VAL 4 -12.015 6.074 5.087 38 H LEU 5 H LEU 5 -7.648 4.020 3.135 39 HA LEU 5 HA LEU 5 -7.969 2.022 5.187 40 1HB LEU 5 1HB LEU 5 -5.380 2.149 5.118 41 2HB LEU 5 2HB LEU 5 -6.262 1.401 3.815 42 HG LEU 5 HG LEU 5 -6.001 3.404 2.472 43 1HD1 LEU 5 1HD1 LEU 5 -5.817 5.277 3.649 44 2HD1 LEU 5 2HD1 LEU 5 -5.004 4.474 4.992 45 3HD1 LEU 5 3HD1 LEU 5 -4.092 4.931 3.554 46 1HD2 LEU 5 1HD2 LEU 5 -4.095 1.525 3.067 47 2HD2 LEU 5 2HD2 LEU 5 -4.058 2.650 1.708 48 3HD2 LEU 5 3HD2 LEU 5 -3.222 3.051 3.210 49 H SER 6 H SER 6 -7.276 2.101 7.288 50 HA SER 6 HA SER 6 -7.215 4.776 8.434 51 1HB SER 6 1HB SER 6 -7.522 3.645 10.588 52 2HB SER 6 2HB SER 6 -8.718 3.084 9.417 53 HG SER 6 HG SER 6 -7.932 1.266 10.331 54 H ARG 7 H ARG 7 -5.777 4.616 10.657 55 HA ARG 7 HA ARG 7 -3.135 4.928 9.791 56 1HB ARG 7 1HB ARG 7 -4.150 5.959 11.838 57 2HB ARG 7 2HB ARG 7 -4.028 4.389 12.624 58 1HG ARG 7 1HG ARG 7 -1.551 4.485 12.114 59 2HG ARG 7 2HG ARG 7 -1.806 6.180 11.695 60 1HD ARG 7 1HD ARG 7 -2.852 5.204 14.301 61 2HD ARG 7 2HD ARG 7 -1.112 5.435 14.138 62 HE ARG 7 HE ARG 7 -3.044 7.462 14.458 63 1HH1 ARG 7 1HH1 ARG 7 0.320 8.422 12.504 64 2HH1 ARG 7 2HH1 ARG 7 -0.128 6.758 12.666 65 1HH2 ARG 7 1HH2 ARG 7 -0.992 10.063 13.403 66 2HH2 ARG 7 2HH2 ARG 7 -2.450 9.650 14.245 67 H ALA 8 H ALA 8 -4.851 2.144 10.977 68 HA ALA 8 HA ALA 8 -2.522 0.581 11.549 69 1HB ALA 8 1HB ALA 8 -4.335 -0.148 12.763 70 2HB ALA 8 2HB ALA 8 -5.451 0.027 11.409 71 3HB ALA 8 3HB ALA 8 -4.309 -1.316 11.442 72 H ASP 9 H ASP 9 -4.462 1.178 8.709 73 HA ASP 9 HA ASP 9 -3.308 -1.081 7.288 74 1HB ASP 9 1HB ASP 9 -5.115 1.080 6.216 75 2HB ASP 9 2HB ASP 9 -4.767 -0.471 5.470 76 H LYS 10 H LYS 10 -3.253 2.489 7.046 77 HA LYS 10 HA LYS 10 -1.495 2.617 4.865 78 1HB LYS 10 1HB LYS 10 -1.039 4.921 5.544 79 2HB LYS 10 2HB LYS 10 -2.758 4.569 5.643 80 1HG LYS 10 1HG LYS 10 -2.828 4.916 7.853 81 2HG LYS 10 2HG LYS 10 -1.282 4.116 8.128 82 1HD LYS 10 1HD LYS 10 -0.123 6.125 7.286 83 2HD LYS 10 2HD LYS 10 -1.687 6.923 7.109 84 1HE LYS 10 1HE LYS 10 -1.759 7.444 9.276 85 2HE LYS 10 2HE LYS 10 -1.366 5.794 9.752 86 1HZ LYS 10 1HZ LYS 10 0.652 7.773 8.854 87 2HZ LYS 10 2HZ LYS 10 0.273 7.487 10.476 88 3HZ LYS 10 3HZ LYS 10 0.944 6.252 9.537 89 H GLU 11 H GLU 11 -0.917 2.213 8.301 90 HA GLU 11 HA GLU 11 1.907 2.590 8.180 91 1HB GLU 11 1HB GLU 11 1.960 1.700 10.418 92 2HB GLU 11 2HB GLU 11 0.559 2.753 10.281 93 1HG GLU 11 1HG GLU 11 -0.904 0.855 10.075 94 2HG GLU 11 2HG GLU 11 0.472 -0.245 10.065 95 H ARG 12 H ARG 12 -0.289 -0.078 7.718 96 HA ARG 12 HA ARG 12 1.568 -2.198 7.779 97 1HB ARG 12 1HB ARG 12 -0.942 -2.403 7.850 98 2HB ARG 12 2HB ARG 12 -0.961 -2.033 6.131 99 1HG ARG 12 1HG ARG 12 0.416 -4.029 5.712 100 2HG ARG 12 2HG ARG 12 0.349 -4.410 7.433 101 1HD ARG 12 1HD ARG 12 -2.284 -4.084 6.866 102 2HD ARG 12 2HD ARG 12 -1.691 -4.727 5.339 103 HE ARG 12 HE ARG 12 -0.919 -6.673 6.533 104 1HH1 ARG 12 1HH1 ARG 12 -3.531 -5.814 9.447 105 2HH1 ARG 12 2HH1 ARG 12 -3.062 -4.573 8.338 106 1HH2 ARG 12 1HH2 ARG 12 -2.674 -7.918 9.255 107 2HH2 ARG 12 2HH2 ARG 12 -1.545 -8.290 7.996 108 H LEU 13 H LEU 13 0.638 0.126 5.351 109 HA LEU 13 HA LEU 13 1.859 -1.159 3.124 110 1HB LEU 13 1HB LEU 13 0.157 0.490 2.750 111 2HB LEU 13 2HB LEU 13 1.039 1.691 3.668 112 HG LEU 13 HG LEU 13 2.831 1.132 1.692 113 1HD1 LEU 13 1HD1 LEU 13 1.904 0.439 -0.224 114 2HD1 LEU 13 2HD1 LEU 13 0.587 -0.151 0.789 115 3HD1 LEU 13 3HD1 LEU 13 0.460 1.427 0.010 116 1HD2 LEU 13 1HD2 LEU 13 2.398 3.287 0.958 117 2HD2 LEU 13 2HD2 LEU 13 0.662 3.147 1.249 118 3HD2 LEU 13 3HD2 LEU 13 1.777 3.310 2.610 119 H LEU 14 H LEU 14 2.913 1.035 5.627 120 HA LEU 14 HA LEU 14 5.382 1.790 4.467 121 1HB LEU 14 1HB LEU 14 4.174 1.896 7.188 122 2HB LEU 14 2HB LEU 14 5.907 2.125 7.047 123 HG LEU 14 HG LEU 14 3.757 3.802 5.756 124 1HD1 LEU 14 1HD1 LEU 14 5.762 4.392 7.928 125 2HD1 LEU 14 2HD1 LEU 14 4.704 5.584 7.171 126 3HD1 LEU 14 3HD1 LEU 14 4.012 4.261 8.111 127 1HD2 LEU 14 1HD2 LEU 14 6.401 3.332 4.872 128 2HD2 LEU 14 2HD2 LEU 14 5.246 4.526 4.282 129 3HD2 LEU 14 3HD2 LEU 14 6.363 4.948 5.577 130 H GLU 15 H GLU 15 4.459 -0.767 6.743 131 HA GLU 15 HA GLU 15 6.974 -1.760 7.366 132 1HB GLU 15 1HB GLU 15 4.760 -2.451 8.369 133 2HB GLU 15 2HB GLU 15 4.509 -3.457 6.948 134 1HG GLU 15 1HG GLU 15 5.496 -5.070 8.113 135 2HG GLU 15 2HG GLU 15 7.005 -4.218 7.790 136 H LEU 16 H LEU 16 4.792 -2.853 4.773 137 HA LEU 16 HA LEU 16 6.672 -4.640 3.621 138 1HB LEU 16 1HB LEU 16 4.073 -3.446 2.739 139 2HB LEU 16 2HB LEU 16 5.061 -4.316 1.581 140 HG LEU 16 HG LEU 16 5.014 -6.244 3.294 141 1HD1 LEU 16 1HD1 LEU 16 2.440 -5.704 4.289 142 2HD1 LEU 16 2HD1 LEU 16 3.940 -5.883 5.200 143 3HD1 LEU 16 3HD1 LEU 16 3.425 -4.287 4.653 144 1HD2 LEU 16 1HD2 LEU 16 3.874 -6.824 1.430 145 2HD2 LEU 16 2HD2 LEU 16 2.483 -6.634 2.497 146 3HD2 LEU 16 3HD2 LEU 16 2.941 -5.329 1.403 147 H LEU 17 H LEU 17 6.338 -1.250 3.514 148 HA LEU 17 HA LEU 17 7.681 -0.955 0.962 149 1HB LEU 17 1HB LEU 17 6.275 0.831 2.849 150 2HB LEU 17 2HB LEU 17 7.568 1.553 1.916 151 HG LEU 17 HG LEU 17 5.125 1.663 1.035 152 1HD1 LEU 17 1HD1 LEU 17 5.981 2.165 -1.000 153 2HD1 LEU 17 2HD1 LEU 17 7.496 2.059 -0.104 154 3HD1 LEU 17 3HD1 LEU 17 6.950 0.696 -1.082 155 1HD2 LEU 17 1HD2 LEU 17 5.624 -0.751 -0.525 156 2HD2 LEU 17 2HD2 LEU 17 5.313 -1.074 1.181 157 3HD2 LEU 17 3HD2 LEU 17 4.136 -0.173 0.227 158 H LYS 18 H LYS 18 8.720 -1.602 4.041 159 HA LYS 18 HA LYS 18 10.682 -1.271 5.182 160 1HB LYS 18 1HB LYS 18 11.321 -1.755 2.384 161 2HB LYS 18 2HB LYS 18 12.563 -0.814 3.193 162 1HG LYS 18 1HG LYS 18 13.356 -2.861 3.709 163 2HG LYS 18 2HG LYS 18 12.197 -2.729 5.032 164 1HD LYS 18 1HD LYS 18 10.519 -3.866 3.566 165 2HD LYS 18 2HD LYS 18 11.812 -4.139 2.397 166 1HE LYS 18 1HE LYS 18 11.619 -6.128 3.670 167 2HE LYS 18 2HE LYS 18 13.075 -5.308 4.232 168 1HZ LYS 18 1HZ LYS 18 11.462 -4.315 5.981 169 2HZ LYS 18 2HZ LYS 18 10.497 -5.651 5.600 170 3HZ LYS 18 3HZ LYS 18 12.064 -5.884 6.192 171 H LEU 19 H LEU 19 9.067 1.076 4.236 172 HA LEU 19 HA LEU 19 11.089 3.191 4.339 173 1HB LEU 19 1HB LEU 19 9.672 3.132 2.330 174 2HB LEU 19 2HB LEU 19 8.239 3.222 3.332 175 HG LEU 19 HG LEU 19 10.115 5.438 3.760 176 1HD1 LEU 19 1HD1 LEU 19 8.642 5.300 1.145 177 2HD1 LEU 19 2HD1 LEU 19 9.767 6.537 1.684 178 3HD1 LEU 19 3HD1 LEU 19 10.354 4.921 1.299 179 1HD2 LEU 19 1HD2 LEU 19 7.857 6.628 3.252 180 2HD2 LEU 19 2HD2 LEU 19 7.181 5.009 3.386 181 3HD2 LEU 19 3HD2 LEU 19 8.041 5.718 4.751 182 HA PRO 20 HA PRO 20 9.702 3.478 8.633 183 1HB PRO 20 1HB PRO 20 11.113 6.086 8.269 184 2HB PRO 20 2HB PRO 20 11.228 4.919 9.592 185 1HG PRO 20 1HG PRO 20 13.137 5.063 7.747 186 2HG PRO 20 2HG PRO 20 12.614 3.496 8.391 187 1HD PRO 20 1HD PRO 20 12.045 4.750 5.752 188 2HD PRO 20 2HD PRO 20 12.240 3.036 6.170 189 H ARG 21 H ARG 21 8.507 5.063 9.923 190 HA ARG 21 HA ARG 21 6.454 6.347 8.318 191 1HB ARG 21 1HB ARG 21 5.326 6.662 10.539 192 2HB ARG 21 2HB ARG 21 5.628 4.987 10.101 193 1HG ARG 21 1HG ARG 21 7.720 6.314 11.701 194 2HG ARG 21 2HG ARG 21 6.183 6.012 12.511 195 1HD ARG 21 1HD ARG 21 6.867 3.676 11.053 196 2HD ARG 21 2HD ARG 21 8.299 4.189 11.944 197 HE ARG 21 HE ARG 21 6.013 2.963 13.030 198 1HH1 ARG 21 1HH1 ARG 21 8.069 5.421 15.435 199 2HH1 ARG 21 2HH1 ARG 21 8.269 5.537 13.717 200 1HH2 ARG 21 1HH2 ARG 21 6.646 3.865 16.323 201 2HH2 ARG 21 2HH2 ARG 21 5.757 2.803 15.282 202 H GLN 22 H GLN 22 9.358 7.242 9.645 203 HA GLN 22 HA GLN 22 8.695 9.822 10.674 204 1HB GLN 22 1HB GLN 22 10.687 8.627 11.418 205 2HB GLN 22 2HB GLN 22 11.331 8.645 9.783 206 1HG GLN 22 1HG GLN 22 12.148 10.705 10.006 207 2HG GLN 22 2HG GLN 22 10.679 11.302 10.778 208 1HE2 GLN 22 1HE2 GLN 22 13.770 11.197 13.028 209 2HE2 GLN 22 2HE2 GLN 22 13.618 11.603 11.355 210 H LEU 23 H LEU 23 9.697 8.544 7.590 211 HA LEU 23 HA LEU 23 9.733 11.237 6.450 212 1HB LEU 23 1HB LEU 23 10.977 10.376 4.621 213 2HB LEU 23 2HB LEU 23 11.703 9.765 6.091 214 HG LEU 23 HG LEU 23 11.748 8.014 4.480 215 1HD1 LEU 23 1HD1 LEU 23 11.092 7.388 6.806 216 2HD1 LEU 23 2HD1 LEU 23 9.420 7.358 6.249 217 3HD1 LEU 23 3HD1 LEU 23 10.595 6.240 5.557 218 1HD2 LEU 23 1HD2 LEU 23 9.770 9.099 3.198 219 2HD2 LEU 23 2HD2 LEU 23 10.054 7.367 3.105 220 3HD2 LEU 23 3HD2 LEU 23 8.796 7.989 4.165 221 H TRP 24 H TRP 24 7.386 9.286 7.089 222 HA TRP 24 HA TRP 24 6.094 8.466 4.792 223 1HB TRP 24 1HB TRP 24 5.250 7.863 6.952 224 2HB TRP 24 2HB TRP 24 4.992 9.544 7.387 225 HD1 TRP 24 HD1 TRP 24 2.721 10.655 6.672 226 HE1 TRP 24 HE1 TRP 24 0.549 9.729 5.642 227 HE3 TRP 24 HE3 TRP 24 4.408 6.064 5.200 228 HZ2 TRP 24 HZ2 TRP 24 -0.331 7.360 4.382 229 HZ3 TRP 24 HZ3 TRP 24 2.839 4.523 4.087 230 HH2 TRP 24 HH2 TRP 24 0.519 5.166 3.686 231 H GLY 25 H GLY 25 5.780 9.633 2.999 232 1HA GLY 25 1HA GLY 25 3.980 11.422 2.391 233 2HA GLY 25 2HA GLY 25 5.095 12.479 3.240 234 H ASP 26 H ASP 26 7.355 10.740 2.108 235 HA ASP 26 HA ASP 26 7.784 12.356 -0.231 236 1HB ASP 26 1HB ASP 26 9.543 11.583 1.485 237 2HB ASP 26 2HB ASP 26 9.521 10.050 0.619 238 H PHE 27 H PHE 27 6.280 11.743 -1.778 239 HA PHE 27 HA PHE 27 5.473 9.236 -2.526 240 1HB PHE 27 1HB PHE 27 4.570 11.375 -3.421 241 2HB PHE 27 2HB PHE 27 5.999 11.511 -4.441 242 HD1 PHE 27 HD1 PHE 27 3.902 8.546 -3.634 243 HD2 PHE 27 HD2 PHE 27 5.250 11.263 -6.620 244 HE1 PHE 27 HE1 PHE 27 2.795 7.190 -5.361 245 HE2 PHE 27 HE2 PHE 27 4.142 9.912 -8.354 246 HZ PHE 27 HZ PHE 27 2.912 7.873 -7.725 247 H GLY 28 H GLY 28 8.365 10.949 -3.664 248 1HA GLY 28 1HA GLY 28 9.153 9.024 -5.567 249 2HA GLY 28 2HA GLY 28 10.209 10.210 -4.815 250 H ARG 29 H ARG 29 9.732 9.252 -2.110 251 HA ARG 29 HA ARG 29 11.739 7.220 -2.048 252 1HB ARG 29 1HB ARG 29 11.154 9.120 -0.322 253 2HB ARG 29 2HB ARG 29 10.076 7.903 0.343 254 1HG ARG 29 1HG ARG 29 11.752 6.808 1.311 255 2HG ARG 29 2HG ARG 29 12.734 6.854 -0.154 256 1HD ARG 29 1HD ARG 29 13.863 8.698 0.499 257 2HD ARG 29 2HD ARG 29 12.448 9.413 1.269 258 HE ARG 29 HE ARG 29 13.721 7.146 2.596 259 1HH1 ARG 29 1HH1 ARG 29 13.669 10.852 4.119 260 2HH1 ARG 29 2HH1 ARG 29 13.183 10.596 2.478 261 1HH2 ARG 29 1HH2 ARG 29 14.338 9.088 5.410 262 2HH2 ARG 29 2HH2 ARG 29 14.364 7.486 4.753 263 H MET 30 H MET 30 8.293 7.280 -1.157 264 HA MET 30 HA MET 30 8.095 4.587 -0.410 265 1HB MET 30 1HB MET 30 5.614 4.920 -0.951 266 2HB MET 30 2HB MET 30 6.324 5.950 0.283 267 1HG MET 30 1HG MET 30 6.597 7.714 -1.450 268 2HG MET 30 2HG MET 30 5.703 6.690 -2.562 269 1HE MET 30 1HE MET 30 4.160 8.852 1.144 270 2HE MET 30 2HE MET 30 4.757 7.214 1.422 271 3HE MET 30 3HE MET 30 5.826 8.442 0.741 272 H GLN 31 H GLN 31 7.450 6.121 -3.560 273 HA GLN 31 HA GLN 31 6.588 3.804 -4.882 274 1HB GLN 31 1HB GLN 31 6.680 6.338 -5.635 275 2HB GLN 31 2HB GLN 31 8.209 5.846 -6.347 276 1HG GLN 31 1HG GLN 31 7.067 4.119 -7.632 277 2HG GLN 31 2HG GLN 31 5.530 4.595 -6.912 278 1HE2 GLN 31 1HE2 GLN 31 4.983 6.646 -9.644 279 2HE2 GLN 31 2HE2 GLN 31 4.460 5.332 -8.651 280 H GLN 32 H GLN 32 9.833 5.137 -4.420 281 HA GLN 32 HA GLN 32 11.248 3.365 -6.048 282 1HB GLN 32 1HB GLN 32 11.920 5.476 -4.465 283 2HB GLN 32 2HB GLN 32 12.570 4.140 -3.527 284 1HG GLN 32 1HG GLN 32 14.304 3.942 -4.889 285 2HG GLN 32 2HG GLN 32 13.255 3.838 -6.300 286 1HE2 GLN 32 1HE2 GLN 32 14.229 6.922 -7.468 287 2HE2 GLN 32 2HE2 GLN 32 13.661 5.317 -7.762 288 H ALA 33 H ALA 33 10.228 3.087 -2.676 289 HA ALA 33 HA ALA 33 11.493 0.540 -2.297 290 1HB ALA 33 1HB ALA 33 10.477 0.536 -0.133 291 2HB ALA 33 2HB ALA 33 11.056 2.169 -0.458 292 3HB ALA 33 3HB ALA 33 9.340 1.797 -0.608 293 H TYR 34 H TYR 34 8.188 1.671 -2.911 294 HA TYR 34 HA TYR 34 6.819 -0.722 -2.686 295 1HB TYR 34 1HB TYR 34 5.670 1.417 -3.023 296 2HB TYR 34 2HB TYR 34 6.318 1.522 -4.658 297 HD1 TYR 34 HD1 TYR 34 5.717 -0.481 -6.236 298 HD2 TYR 34 HD2 TYR 34 3.538 0.513 -2.707 299 HE1 TYR 34 HE1 TYR 34 3.776 -1.719 -7.094 300 HE2 TYR 34 HE2 TYR 34 1.600 -0.741 -3.563 301 HH TYR 34 HH TYR 34 1.773 -2.829 -6.234 302 H LYS 35 H LYS 35 8.517 0.625 -5.484 303 HA LYS 35 HA LYS 35 7.913 -1.481 -7.267 304 1HB LYS 35 1HB LYS 35 10.279 0.399 -7.304 305 2HB LYS 35 2HB LYS 35 9.701 -0.563 -8.658 306 1HG LYS 35 1HG LYS 35 7.494 0.923 -7.780 307 2HG LYS 35 2HG LYS 35 8.866 2.034 -7.780 308 1HD LYS 35 1HD LYS 35 8.214 0.249 -10.114 309 2HD LYS 35 2HD LYS 35 7.557 1.878 -9.940 310 1HE LYS 35 1HE LYS 35 9.397 2.594 -10.977 311 2HE LYS 35 2HE LYS 35 10.263 2.212 -9.490 312 1HZ LYS 35 1HZ LYS 35 10.382 0.927 -12.042 313 2HZ LYS 35 2HZ LYS 35 11.451 0.825 -10.736 314 3HZ LYS 35 3HZ LYS 35 10.088 -0.178 -10.796 315 H GLN 36 H GLN 36 10.448 -0.973 -4.913 316 HA GLN 36 HA GLN 36 12.179 -3.047 -5.758 317 1HB GLN 36 1HB GLN 36 11.985 -1.185 -3.531 318 2HB GLN 36 2HB GLN 36 12.564 -2.763 -3.015 319 1HG GLN 36 1HG GLN 36 13.786 -1.511 -5.418 320 2HG GLN 36 2HG GLN 36 14.218 -0.899 -3.822 321 1HE2 GLN 36 1HE2 GLN 36 16.635 -3.517 -4.760 322 2HE2 GLN 36 2HE2 GLN 36 16.128 -1.994 -5.403 323 H GLN 37 H GLN 37 9.786 -2.910 -3.128 324 HA GLN 37 HA GLN 37 10.086 -5.675 -2.488 325 1HB GLN 37 1HB GLN 37 7.840 -3.826 -1.700 326 2HB GLN 37 2HB GLN 37 8.324 -5.312 -0.894 327 1HG GLN 37 1HG GLN 37 10.258 -3.056 -1.183 328 2HG GLN 37 2HG GLN 37 9.044 -3.032 0.091 329 1HE2 GLN 37 1HE2 GLN 37 10.444 -5.804 1.842 330 2HE2 GLN 37 2HE2 GLN 37 8.937 -5.086 1.398 331 H SER 38 H SER 38 8.195 -3.926 -4.767 332 HA SER 38 HA SER 38 6.078 -5.818 -5.042 333 1HB SER 38 1HB SER 38 5.556 -4.601 -7.129 334 2HB SER 38 2HB SER 38 5.806 -3.494 -5.780 335 HG SER 38 HG SER 38 8.020 -4.132 -7.355 336 H LEU 39 H LEU 39 9.302 -5.541 -6.293 337 HA LEU 39 HA LEU 39 8.912 -7.399 -8.449 338 1HB LEU 39 1HB LEU 39 11.090 -5.749 -7.390 339 2HB LEU 39 2HB LEU 39 11.623 -7.293 -8.031 340 HG LEU 39 HG LEU 39 9.996 -5.252 -9.550 341 1HD1 LEU 39 1HD1 LEU 39 12.133 -5.075 -10.889 342 2HD1 LEU 39 2HD1 LEU 39 12.157 -4.345 -9.284 343 3HD1 LEU 39 3HD1 LEU 39 12.930 -5.909 -9.554 344 1HD2 LEU 39 1HD2 LEU 39 11.305 -7.148 -11.212 345 2HD2 LEU 39 2HD2 LEU 39 10.401 -8.029 -9.978 346 3HD2 LEU 39 3HD2 LEU 39 9.575 -6.863 -11.012 347 H LEU 40 H LEU 40 9.928 -7.579 -5.105 348 HA LEU 40 HA LEU 40 10.868 -10.304 -5.393 349 1HB LEU 40 1HB LEU 40 11.167 -10.189 -2.909 350 2HB LEU 40 2HB LEU 40 12.085 -9.012 -3.827 351 HG LEU 40 HG LEU 40 10.073 -7.427 -3.278 352 1HD1 LEU 40 1HD1 LEU 40 9.838 -8.792 -0.713 353 2HD1 LEU 40 2HD1 LEU 40 8.602 -8.031 -1.713 354 3HD1 LEU 40 3HD1 LEU 40 9.120 -9.682 -2.053 355 1HD2 LEU 40 1HD2 LEU 40 11.322 -7.396 -0.817 356 2HD2 LEU 40 2HD2 LEU 40 12.523 -8.124 -1.882 357 3HD2 LEU 40 3HD2 LEU 40 11.851 -6.540 -2.265 358 H LEU 41 H LEU 41 7.887 -8.753 -4.786 359 HA LEU 41 HA LEU 41 6.773 -11.097 -3.451 360 1HB LEU 41 1HB LEU 41 5.893 -8.282 -3.834 361 2HB LEU 41 2HB LEU 41 4.659 -9.508 -3.601 362 HG LEU 41 HG LEU 41 6.961 -9.130 -1.697 363 1HD1 LEU 41 1HD1 LEU 41 4.605 -7.490 -2.070 364 2HD1 LEU 41 2HD1 LEU 41 4.660 -8.205 -0.459 365 3HD1 LEU 41 3HD1 LEU 41 6.010 -7.229 -1.038 366 1HD2 LEU 41 1HD2 LEU 41 4.401 -10.219 -0.781 367 2HD2 LEU 41 2HD2 LEU 41 5.235 -11.215 -1.972 368 3HD2 LEU 41 3HD2 LEU 41 6.047 -10.770 -0.471 369 H HIS 42 H HIS 42 7.367 -10.332 -6.556 370 HA HIS 42 HA HIS 42 4.837 -11.040 -7.722 371 1HB HIS 42 1HB HIS 42 6.635 -9.510 -8.749 372 2HB HIS 42 2HB HIS 42 7.484 -10.995 -9.164 373 HD1 HIS 42 HD1 HIS 42 4.677 -8.830 -10.195 374 HD2 HIS 42 HD2 HIS 42 6.145 -12.602 -11.115 375 HE1 HIS 42 HE1 HIS 42 3.546 -9.491 -12.344 376 HE2 HIS 42 HE2 HIS 42 4.379 -11.818 -12.826 377 HA PRO 43 HA PRO 43 5.058 -15.453 -7.373 378 1HB PRO 43 1HB PRO 43 4.016 -15.315 -10.169 379 2HB PRO 43 2HB PRO 43 3.435 -16.266 -8.798 380 1HG PRO 43 1HG PRO 43 2.167 -14.049 -9.566 381 2HG PRO 43 2HG PRO 43 2.323 -14.474 -7.853 382 1HD PRO 43 1HD PRO 43 3.724 -12.368 -9.412 383 2HD PRO 43 2HD PRO 43 3.304 -12.412 -7.689 384 H ASP 44 H ASP 44 6.582 -13.675 -9.947 385 HA ASP 44 HA ASP 44 7.949 -15.961 -11.047 386 1HB ASP 44 1HB ASP 44 8.091 -12.997 -11.562 387 2HB ASP 44 2HB ASP 44 9.241 -14.112 -12.290 388 H LYS 45 H LYS 45 8.504 -13.679 -8.529 389 HA LYS 45 HA LYS 45 11.286 -14.620 -8.297 390 1HB LYS 45 1HB LYS 45 10.216 -12.075 -7.092 391 2HB LYS 45 2HB LYS 45 11.895 -12.550 -7.305 392 1HG LYS 45 1HG LYS 45 10.124 -12.184 -9.685 393 2HG LYS 45 2HG LYS 45 10.856 -10.793 -8.889 394 1HD LYS 45 1HD LYS 45 12.971 -11.361 -9.528 395 2HD LYS 45 2HD LYS 45 12.614 -13.090 -9.552 396 1HE LYS 45 1HE LYS 45 11.023 -12.300 -11.547 397 2HE LYS 45 2HE LYS 45 12.251 -11.039 -11.659 398 1HZ LYS 45 1HZ LYS 45 12.938 -12.784 -13.061 399 2HZ LYS 45 2HZ LYS 45 13.923 -12.890 -11.690 400 3HZ LYS 45 3HZ LYS 45 12.634 -13.967 -11.890 401 H GLY 46 H GLY 46 8.903 -15.952 -7.289 402 1HA GLY 46 1HA GLY 46 8.274 -17.087 -5.396 403 2HA GLY 46 2HA GLY 46 9.815 -16.603 -4.702 404 H GLY 47 H GLY 47 6.431 -15.768 -5.067 405 1HA GLY 47 1HA GLY 47 6.529 -14.335 -2.553 406 2HA GLY 47 2HA GLY 47 6.156 -13.331 -3.946 407 H SER 48 H SER 48 4.375 -13.559 -1.865 408 HA SER 48 HA SER 48 2.355 -15.509 -2.636 409 1HB SER 48 1HB SER 48 2.971 -13.959 -0.248 410 2HB SER 48 2HB SER 48 1.258 -13.876 -0.662 411 HG SER 48 HG SER 48 1.040 -15.905 -0.141 412 H HIS 49 H HIS 49 0.269 -14.966 -3.338 413 HA HIS 49 HA HIS 49 0.153 -12.622 -4.988 414 1HB HIS 49 1HB HIS 49 -1.278 -15.116 -4.764 415 2HB HIS 49 2HB HIS 49 -2.415 -13.775 -4.858 416 HD1 HIS 49 HD1 HIS 49 -3.158 -14.430 -7.238 417 HD2 HIS 49 HD2 HIS 49 0.893 -13.575 -6.909 418 HE1 HIS 49 HE1 HIS 49 -2.320 -14.241 -9.600 419 HE2 HIS 49 HE2 HIS 49 0.148 -13.793 -9.379 420 H ALA 50 H ALA 50 -1.447 -13.720 -2.035 421 HA ALA 50 HA ALA 50 -3.317 -11.698 -1.716 422 1HB ALA 50 1HB ALA 50 -3.199 -13.721 -0.323 423 2HB ALA 50 2HB ALA 50 -1.767 -13.071 0.474 424 3HB ALA 50 3HB ALA 50 -3.316 -12.248 0.642 425 H LEU 51 H LEU 51 0.132 -11.623 -1.203 426 HA LEU 51 HA LEU 51 0.118 -9.191 0.319 427 1HB LEU 51 1HB LEU 51 2.158 -11.018 -0.800 428 2HB LEU 51 2HB LEU 51 2.652 -9.349 -0.579 429 HG LEU 51 HG LEU 51 1.435 -9.954 1.826 430 1HD1 LEU 51 1HD1 LEU 51 1.679 -12.097 2.396 431 2HD1 LEU 51 2HD1 LEU 51 1.841 -12.410 0.668 432 3HD1 LEU 51 3HD1 LEU 51 3.281 -12.202 1.665 433 1HD2 LEU 51 1HD2 LEU 51 3.510 -9.542 2.734 434 2HD2 LEU 51 2HD2 LEU 51 4.362 -10.403 1.453 435 3HD2 LEU 51 3HD2 LEU 51 3.677 -8.810 1.138 436 H MET 52 H MET 52 1.026 -10.024 -3.024 437 HA MET 52 HA MET 52 1.679 -7.448 -3.871 438 1HB MET 52 1HB MET 52 1.945 -9.745 -5.065 439 2HB MET 52 2HB MET 52 0.342 -9.411 -5.706 440 1HG MET 52 1HG MET 52 2.047 -8.732 -7.277 441 2HG MET 52 2HG MET 52 1.164 -7.329 -6.681 442 1HE MET 52 1HE MET 52 1.854 -5.594 -5.527 443 2HE MET 52 2HE MET 52 3.455 -5.186 -4.912 444 3HE MET 52 3HE MET 52 3.126 -5.100 -6.643 445 H GLN 53 H GLN 53 -1.410 -8.939 -3.343 446 HA GLN 53 HA GLN 53 -2.902 -6.986 -4.845 447 1HB GLN 53 1HB GLN 53 -3.792 -9.077 -2.850 448 2HB GLN 53 2HB GLN 53 -4.880 -8.078 -3.805 449 1HG GLN 53 1HG GLN 53 -2.883 -10.044 -4.904 450 2HG GLN 53 2HG GLN 53 -4.618 -10.313 -4.747 451 1HE2 GLN 53 1HE2 GLN 53 -5.480 -8.608 -7.641 452 2HE2 GLN 53 2HE2 GLN 53 -5.995 -9.446 -6.221 453 H GLU 54 H GLU 54 -1.948 -7.495 -1.506 454 HA GLU 54 HA GLU 54 -3.649 -5.521 -0.373 455 1HB GLU 54 1HB GLU 54 -2.190 -7.485 0.700 456 2HB GLU 54 2HB GLU 54 -1.049 -6.167 0.921 457 1HG GLU 54 1HG GLU 54 -2.251 -5.232 2.557 458 2HG GLU 54 2HG GLU 54 -3.786 -5.543 1.748 459 H LEU 55 H LEU 55 -0.198 -5.498 -1.246 460 HA LEU 55 HA LEU 55 0.358 -2.866 -0.522 461 1HB LEU 55 1HB LEU 55 1.858 -4.862 -1.378 462 2HB LEU 55 2HB LEU 55 1.647 -4.070 -2.925 463 HG LEU 55 HG LEU 55 2.732 -2.085 -2.152 464 1HD1 LEU 55 1HD1 LEU 55 2.388 -1.491 -0.032 465 2HD1 LEU 55 2HD1 LEU 55 2.069 -3.150 0.472 466 3HD1 LEU 55 3HD1 LEU 55 3.729 -2.564 0.365 467 1HD2 LEU 55 1HD2 LEU 55 4.813 -3.489 -0.989 468 2HD2 LEU 55 2HD2 LEU 55 3.985 -4.689 -1.983 469 3HD2 LEU 55 3HD2 LEU 55 4.576 -3.194 -2.711 470 H ASN 56 H ASN 56 -0.644 -4.169 -3.678 471 HA ASN 56 HA ASN 56 -0.656 -1.724 -5.055 472 1HB ASN 56 1HB ASN 56 -1.129 -4.360 -5.715 473 2HB ASN 56 2HB ASN 56 -2.710 -3.616 -5.939 474 1HD2 ASN 56 1HD2 ASN 56 -0.716 -3.410 -9.072 475 2HD2 ASN 56 2HD2 ASN 56 -1.178 -4.692 -8.010 476 H SER 57 H SER 57 -3.083 -3.297 -3.059 477 HA SER 57 HA SER 57 -5.170 -1.446 -3.727 478 1HB SER 57 1HB SER 57 -4.857 -3.781 -1.943 479 2HB SER 57 2HB SER 57 -6.015 -2.567 -1.400 480 HG SER 57 HG SER 57 -6.082 -4.226 -3.639 481 H LEU 58 H LEU 58 -2.879 -1.827 -1.060 482 HA LEU 58 HA LEU 58 -3.933 0.383 0.435 483 1HB LEU 58 1HB LEU 58 -1.385 -1.212 0.657 484 2HB LEU 58 2HB LEU 58 -1.770 0.116 1.733 485 HG LEU 58 HG LEU 58 -3.811 -2.021 1.493 486 1HD1 LEU 58 1HD1 LEU 58 -1.090 -2.426 2.680 487 2HD1 LEU 58 2HD1 LEU 58 -2.501 -3.277 3.310 488 3HD1 LEU 58 3HD1 LEU 58 -2.015 -3.497 1.629 489 1HD2 LEU 58 1HD2 LEU 58 -4.500 -0.560 3.081 490 2HD2 LEU 58 2HD2 LEU 58 -3.469 -1.549 4.116 491 3HD2 LEU 58 3HD2 LEU 58 -2.862 -0.030 3.460 492 H TRP 59 H TRP 59 -1.645 -0.009 -2.124 493 HA TRP 59 HA TRP 59 -0.427 2.588 -1.700 494 1HB TRP 59 1HB TRP 59 1.067 0.841 -2.366 495 2HB TRP 59 2HB TRP 59 0.017 0.364 -3.692 496 HD1 TRP 59 HD1 TRP 59 0.695 1.229 -5.986 497 HE1 TRP 59 HE1 TRP 59 2.263 3.062 -6.879 498 HE3 TRP 59 HE3 TRP 59 2.010 3.434 -1.547 499 HZ2 TRP 59 HZ2 TRP 59 3.844 5.147 -5.854 500 HZ3 TRP 59 HZ3 TRP 59 3.557 5.331 -1.608 501 HH2 TRP 59 HH2 TRP 59 4.453 6.174 -3.717 502 H GLY 60 H GLY 60 -3.042 1.169 -3.385 503 1HA GLY 60 1HA GLY 60 -3.165 3.087 -5.528 504 2HA GLY 60 2HA GLY 60 -4.398 1.913 -5.109 505 H THR 61 H THR 61 -5.380 2.446 -2.775 506 HA THR 61 HA THR 61 -6.866 4.802 -3.041 507 HB THR 61 HB THR 61 -7.004 2.665 -1.360 508 HG1 THR 61 HG1 THR 61 -8.856 3.706 -1.459 509 1HG2 THR 61 1HG2 THR 61 -6.003 4.906 0.340 510 2HG2 THR 61 2HG2 THR 61 -6.960 3.554 0.940 511 3HG2 THR 61 3HG2 THR 61 -5.376 3.260 0.224 512 H PHE 62 H PHE 62 -4.120 3.994 -1.030 513 HA PHE 62 HA PHE 62 -3.511 6.298 0.294 514 1HB PHE 62 1HB PHE 62 -2.164 4.298 0.521 515 2HB PHE 62 2HB PHE 62 -1.681 4.384 -1.171 516 HD1 PHE 62 HD1 PHE 62 -1.771 7.405 0.882 517 HD2 PHE 62 HD2 PHE 62 0.662 4.230 -0.593 518 HE1 PHE 62 HE1 PHE 62 0.248 8.659 1.521 519 HE2 PHE 62 HE2 PHE 62 2.679 5.484 0.049 520 HZ PHE 62 HZ PHE 62 2.472 7.693 1.103 521 H LYS 63 H LYS 63 -2.432 5.410 -2.926 522 HA LYS 63 HA LYS 63 -1.105 7.687 -3.706 523 1HB LYS 63 1HB LYS 63 -2.051 5.299 -4.859 524 2HB LYS 63 2HB LYS 63 -2.628 6.580 -5.889 525 1HG LYS 63 1HG LYS 63 -0.297 7.426 -6.049 526 2HG LYS 63 2HG LYS 63 0.223 6.015 -5.126 527 1HD LYS 63 1HD LYS 63 -1.128 6.027 -7.823 528 2HD LYS 63 2HD LYS 63 0.546 5.594 -7.480 529 1HE LYS 63 1HE LYS 63 -0.032 3.559 -6.553 530 2HE LYS 63 2HE LYS 63 -1.651 4.085 -6.118 531 1HZ LYS 63 1HZ LYS 63 -1.684 2.528 -7.965 532 2HZ LYS 63 2HZ LYS 63 -2.257 4.041 -8.457 533 3HZ LYS 63 3HZ LYS 63 -0.694 3.550 -8.879 534 H THR 64 H THR 64 -4.586 6.972 -3.993 535 HA THR 64 HA THR 64 -5.437 9.116 -5.480 536 HB THR 64 HB THR 64 -6.817 8.006 -3.024 537 HG1 THR 64 HG1 THR 64 -7.870 6.680 -4.586 538 1HG2 THR 64 1HG2 THR 64 -8.849 8.794 -3.857 539 2HG2 THR 64 2HG2 THR 64 -7.739 10.156 -4.008 540 3HG2 THR 64 3HG2 THR 64 -8.152 9.192 -5.428 541 H GLU 65 H GLU 65 -4.518 9.012 -2.106 542 HA GLU 65 HA GLU 65 -5.106 11.822 -1.693 543 1HB GLU 65 1HB GLU 65 -3.590 10.018 0.188 544 2HB GLU 65 2HB GLU 65 -4.500 11.471 0.575 545 1HG GLU 65 1HG GLU 65 -5.999 9.220 -0.629 546 2HG GLU 65 2HG GLU 65 -5.426 9.023 1.025 547 H VAL 66 H VAL 66 -2.414 9.707 -2.366 548 HA VAL 66 HA VAL 66 -0.266 11.307 -1.719 549 HB VAL 66 HB VAL 66 -0.525 9.334 -3.963 550 1HG1 VAL 66 1HG1 VAL 66 1.461 11.231 -3.786 551 2HG1 VAL 66 2HG1 VAL 66 2.165 9.843 -2.960 552 3HG1 VAL 66 3HG1 VAL 66 1.587 9.683 -4.617 553 1HG2 VAL 66 1HG2 VAL 66 -0.805 8.560 -1.587 554 2HG2 VAL 66 2HG2 VAL 66 0.513 7.789 -2.470 555 3HG2 VAL 66 3HG2 VAL 66 0.859 9.064 -1.303 556 H TYR 67 H TYR 67 -2.058 11.167 -4.788 557 HA TYR 67 HA TYR 67 -0.570 13.042 -6.205 558 1HB TYR 67 1HB TYR 67 -3.189 11.794 -6.455 559 2HB TYR 67 2HB TYR 67 -3.191 13.449 -7.057 560 HD1 TYR 67 HD1 TYR 67 -2.871 13.609 -9.331 561 HD2 TYR 67 HD2 TYR 67 -0.845 10.535 -7.199 562 HE1 TYR 67 HE1 TYR 67 -1.823 12.855 -11.426 563 HE2 TYR 67 HE2 TYR 67 0.206 9.771 -9.286 564 HH TYR 67 HH TYR 67 0.763 10.607 -11.475 565 H ASN 68 H ASN 68 -2.980 13.457 -3.735 566 HA ASN 68 HA ASN 68 -3.083 16.336 -4.136 567 1HB ASN 68 1HB ASN 68 -4.678 14.348 -2.628 568 2HB ASN 68 2HB ASN 68 -4.552 15.948 -1.905 569 1HD2 ASN 68 1HD2 ASN 68 -7.041 15.289 -4.945 570 2HD2 ASN 68 2HD2 ASN 68 -6.191 14.047 -4.098 571 H LEU 69 H LEU 69 -1.435 14.021 -2.134 572 HA LEU 69 HA LEU 69 -0.956 15.649 0.105 573 1HB LEU 69 1HB LEU 69 0.467 14.037 0.862 574 2HB LEU 69 2HB LEU 69 -0.447 13.104 -0.303 575 HG LEU 69 HG LEU 69 1.491 13.660 -1.941 576 1HD1 LEU 69 1HD1 LEU 69 3.332 13.713 0.324 577 2HD1 LEU 69 2HD1 LEU 69 3.360 14.632 -1.181 578 3HD1 LEU 69 3HD1 LEU 69 2.369 15.180 0.170 579 1HD2 LEU 69 1HD2 LEU 69 2.858 11.872 -0.307 580 2HD2 LEU 69 2HD2 LEU 69 1.161 11.620 0.089 581 3HD2 LEU 69 3HD2 LEU 69 1.706 11.468 -1.580 582 H ARG 70 H ARG 70 0.583 15.501 -3.030 583 HA ARG 70 HA ARG 70 2.842 17.055 -2.297 584 1HB ARG 70 1HB ARG 70 1.660 16.330 -4.965 585 2HB ARG 70 2HB ARG 70 3.093 17.340 -4.812 586 1HG ARG 70 1HG ARG 70 4.360 15.535 -4.672 587 2HG ARG 70 2HG ARG 70 3.493 15.029 -3.221 588 1HD ARG 70 1HD ARG 70 3.044 13.226 -4.528 589 2HD ARG 70 2HD ARG 70 1.709 14.259 -5.038 590 HE ARG 70 HE ARG 70 4.030 14.657 -6.642 591 1HH1 ARG 70 1HH1 ARG 70 1.299 11.955 -7.778 592 2HH1 ARG 70 2HH1 ARG 70 1.316 12.520 -6.140 593 1HH2 ARG 70 1HH2 ARG 70 2.829 12.743 -9.282 594 2HH2 ARG 70 2HH2 ARG 70 4.009 13.913 -8.794 595 H MET 71 H MET 71 -0.224 17.929 -2.322 596 HA MET 71 HA MET 71 0.370 20.699 -3.111 597 1HB MET 71 1HB MET 71 -2.078 19.026 -3.517 598 2HB MET 71 2HB MET 71 -2.247 20.767 -3.337 599 1HG MET 71 1HG MET 71 -2.036 20.716 -5.574 600 2HG MET 71 2HG MET 71 -0.317 20.714 -5.182 601 1HE MET 71 1HE MET 71 1.213 19.265 -6.296 602 2HE MET 71 2HE MET 71 0.730 18.016 -7.447 603 3HE MET 71 3HE MET 71 0.200 19.682 -7.680 604 H ASN 72 H ASN 72 -1.272 18.575 -0.833 605 HA ASN 72 HA ASN 72 -1.924 20.834 0.900 606 1HB ASN 72 1HB ASN 72 -2.581 17.894 1.189 607 2HB ASN 72 2HB ASN 72 -3.172 19.184 2.232 608 1HD2 ASN 72 1HD2 ASN 72 -5.980 19.548 0.279 609 2HD2 ASN 72 2HD2 ASN 72 -5.247 19.431 1.838 610 H LEU 73 H LEU 73 0.821 20.324 0.586 611 HA LEU 73 HA LEU 73 1.514 19.583 3.340 612 1HB LEU 73 1HB LEU 73 2.318 18.205 0.927 613 2HB LEU 73 2HB LEU 73 3.713 18.822 1.783 614 HG LEU 73 HG LEU 73 1.612 16.972 2.912 615 1HD1 LEU 73 1HD1 LEU 73 3.861 16.432 1.335 616 2HD1 LEU 73 2HD1 LEU 73 4.323 16.021 2.986 617 3HD1 LEU 73 3HD1 LEU 73 2.896 15.283 2.260 618 1HD2 LEU 73 1HD2 LEU 73 2.237 18.114 4.793 619 2HD2 LEU 73 2HD2 LEU 73 3.500 16.883 4.748 620 3HD2 LEU 73 3HD2 LEU 73 3.833 18.511 4.157 621 H GLY 74 H GLY 74 3.380 20.525 0.467 622 1HA GLY 74 1HA GLY 74 3.979 23.105 1.720 623 2HA GLY 74 2HA GLY 74 5.324 22.039 1.345 624 H GLY 75 H GLY 75 4.070 24.720 0.310 625 1HA GLY 75 1HA GLY 75 4.731 24.146 -2.489 626 2HA GLY 75 2HA GLY 75 3.193 24.919 -2.141 627 H THR 76 H THR 76 4.155 26.544 0.024 628 HA THR 76 HA THR 76 5.159 28.742 -1.494 629 HB THR 76 HB THR 76 5.000 29.997 0.579 630 HG1 THR 76 HG1 THR 76 5.655 27.818 1.770 631 1HG2 THR 76 1HG2 THR 76 2.832 28.601 -0.526 632 2HG2 THR 76 2HG2 THR 76 2.648 28.526 1.226 633 3HG2 THR 76 3HG2 THR 76 2.803 30.087 0.422 634 H GLY 77 H GLY 77 7.171 29.693 -1.464 635 1HA GLY 77 1HA GLY 77 9.272 28.224 0.009 636 2HA GLY 77 2HA GLY 77 9.499 28.785 -1.640 637 H PHE 78 H PHE 78 8.503 31.315 -1.563 638 HA PHE 78 HA PHE 78 10.437 32.638 0.186 639 1HB PHE 78 1HB PHE 78 10.342 34.522 -1.297 640 2HB PHE 78 2HB PHE 78 10.532 33.072 -2.273 641 HD1 PHE 78 HD1 PHE 78 8.253 32.037 -3.145 642 HD2 PHE 78 HD2 PHE 78 8.793 36.082 -1.937 643 HE1 PHE 78 HE1 PHE 78 6.306 32.694 -4.493 644 HE2 PHE 78 HE2 PHE 78 6.848 36.747 -3.283 645 HZ PHE 78 HZ PHE 78 5.600 35.053 -4.566 646 H GLN 79 H GLN 79 9.757 33.522 1.996 647 HA GLN 79 HA GLN 79 7.021 33.758 2.670 648 1HB GLN 79 1HB GLN 79 7.951 35.076 4.655 649 2HB GLN 79 2HB GLN 79 8.479 33.409 4.476 650 1HG GLN 79 1HG GLN 79 10.215 35.310 3.117 651 2HG GLN 79 2HG GLN 79 10.100 35.586 4.854 652 1HE2 GLN 79 1HE2 GLN 79 12.873 33.237 4.183 653 2HE2 GLN 79 2HE2 GLN 79 12.465 34.843 3.695 Start of MODEL 15 1 1H MET 1 1H MET 1 -18.530 8.120 -1.650 2 2H MET 1 2H MET 1 -17.230 7.939 -0.544 3 3H MET 1 3H MET 1 -17.218 9.222 -1.683 4 HA MET 1 HA MET 1 -17.028 6.340 -2.240 5 1HB MET 1 1HB MET 1 -18.319 8.087 -3.797 6 2HB MET 1 2HB MET 1 -16.677 8.438 -4.322 7 1HG MET 1 1HG MET 1 -16.469 5.893 -4.640 8 2HG MET 1 2HG MET 1 -18.228 5.894 -4.567 9 1HE MET 1 1HE MET 1 -15.798 8.348 -7.574 10 2HE MET 1 2HE MET 1 -15.434 8.065 -5.872 11 3HE MET 1 3HE MET 1 -15.108 6.807 -7.064 12 H ASP 2 H ASP 2 -15.451 8.744 -0.803 13 HA ASP 2 HA ASP 2 -12.995 8.853 -2.244 14 1HB ASP 2 1HB ASP 2 -14.106 10.315 -0.206 15 2HB ASP 2 2HB ASP 2 -12.856 9.406 0.638 16 H ARG 3 H ARG 3 -11.333 7.489 -2.223 17 HA ARG 3 HA ARG 3 -11.460 5.163 -0.468 18 1HB ARG 3 1HB ARG 3 -10.410 5.728 -3.145 19 2HB ARG 3 2HB ARG 3 -9.325 4.762 -2.162 20 1HG ARG 3 1HG ARG 3 -10.717 2.967 -2.137 21 2HG ARG 3 2HG ARG 3 -12.174 3.960 -2.231 22 1HD ARG 3 1HD ARG 3 -10.339 3.945 -4.567 23 2HD ARG 3 2HD ARG 3 -11.323 2.511 -4.284 24 HE ARG 3 HE ARG 3 -12.279 5.185 -4.975 25 1HH1 ARG 3 1HH1 ARG 3 -14.645 1.956 -4.801 26 2HH1 ARG 3 2HH1 ARG 3 -13.029 1.861 -4.192 27 1HH2 ARG 3 1HH2 ARG 3 -15.425 3.913 -5.698 28 2HH2 ARG 3 2HH2 ARG 3 -14.400 5.307 -5.768 29 H VAL 4 H VAL 4 -10.694 5.967 1.473 30 HA VAL 4 HA VAL 4 -7.849 6.734 1.471 31 HB VAL 4 HB VAL 4 -8.278 8.163 3.438 32 1HG1 VAL 4 1HG1 VAL 4 -9.473 9.977 2.192 33 2HG1 VAL 4 2HG1 VAL 4 -8.129 9.243 1.319 34 3HG1 VAL 4 3HG1 VAL 4 -9.787 8.804 0.912 35 1HG2 VAL 4 1HG2 VAL 4 -10.256 7.192 4.351 36 2HG2 VAL 4 2HG2 VAL 4 -10.657 8.839 3.865 37 3HG2 VAL 4 3HG2 VAL 4 -11.156 7.479 2.861 38 H LEU 5 H LEU 5 -6.592 5.471 2.617 39 HA LEU 5 HA LEU 5 -7.722 3.430 4.356 40 1HB LEU 5 1HB LEU 5 -5.695 2.323 4.188 41 2HB LEU 5 2HB LEU 5 -5.942 2.989 2.614 42 HG LEU 5 HG LEU 5 -4.100 4.140 4.702 43 1HD1 LEU 5 1HD1 LEU 5 -2.613 3.360 2.512 44 2HD1 LEU 5 2HD1 LEU 5 -2.717 2.510 4.047 45 3HD1 LEU 5 3HD1 LEU 5 -3.765 2.039 2.716 46 1HD2 LEU 5 1HD2 LEU 5 -3.302 5.271 2.477 47 2HD2 LEU 5 2HD2 LEU 5 -4.966 4.958 1.994 48 3HD2 LEU 5 3HD2 LEU 5 -4.637 5.943 3.414 49 H SER 6 H SER 6 -7.115 3.077 6.491 50 HA SER 6 HA SER 6 -6.616 5.526 7.955 51 1HB SER 6 1HB SER 6 -7.162 4.158 9.948 52 2HB SER 6 2HB SER 6 -8.413 4.061 8.709 53 HG SER 6 HG SER 6 -6.333 2.154 9.009 54 H ARG 7 H ARG 7 -5.359 4.876 10.190 55 HA ARG 7 HA ARG 7 -2.654 4.893 9.514 56 1HB ARG 7 1HB ARG 7 -2.214 4.648 11.900 57 2HB ARG 7 2HB ARG 7 -3.525 5.786 11.629 58 1HG ARG 7 1HG ARG 7 -5.108 4.392 12.530 59 2HG ARG 7 2HG ARG 7 -4.185 2.932 12.172 60 1HD ARG 7 1HD ARG 7 -2.644 3.397 13.947 61 2HD ARG 7 2HD ARG 7 -3.366 4.978 14.224 62 HE ARG 7 HE ARG 7 -5.295 3.887 15.126 63 1HH1 ARG 7 1HH1 ARG 7 -3.152 0.539 15.634 64 2HH1 ARG 7 2HH1 ARG 7 -2.588 1.749 14.534 65 1HH2 ARG 7 1HH2 ARG 7 -5.099 0.841 16.782 66 2HH2 ARG 7 2HH2 ARG 7 -6.026 2.289 16.567 67 H ALA 8 H ALA 8 -4.794 2.242 10.357 68 HA ALA 8 HA ALA 8 -2.798 0.282 10.740 69 1HB ALA 8 1HB ALA 8 -4.627 -0.734 11.490 70 2HB ALA 8 2HB ALA 8 -5.684 0.364 10.604 71 3HB ALA 8 3HB ALA 8 -5.038 -1.071 9.809 72 H ASP 9 H ASP 9 -4.627 1.319 7.875 73 HA ASP 9 HA ASP 9 -3.548 -0.696 6.180 74 1HB ASP 9 1HB ASP 9 -5.033 1.866 5.742 75 2HB ASP 9 2HB ASP 9 -4.393 0.974 4.384 76 H LYS 10 H LYS 10 -2.891 2.803 6.473 77 HA LYS 10 HA LYS 10 -0.788 2.844 4.617 78 1HB LYS 10 1HB LYS 10 -0.168 5.007 5.676 79 2HB LYS 10 2HB LYS 10 -1.863 4.890 5.240 80 1HG LYS 10 1HG LYS 10 -2.387 5.491 7.294 81 2HG LYS 10 2HG LYS 10 -1.695 3.980 7.875 82 1HD LYS 10 1HD LYS 10 0.328 5.991 7.304 83 2HD LYS 10 2HD LYS 10 -0.833 6.519 8.523 84 1HE LYS 10 1HE LYS 10 -0.441 4.285 9.653 85 2HE LYS 10 2HE LYS 10 0.925 4.081 8.560 86 1HZ LYS 10 1HZ LYS 10 1.741 4.993 10.580 87 2HZ LYS 10 2HZ LYS 10 1.779 6.240 9.437 88 3HZ LYS 10 3HZ LYS 10 0.557 6.201 10.604 89 H GLU 11 H GLU 11 -0.847 2.169 8.055 90 HA GLU 11 HA GLU 11 1.951 2.254 8.473 91 1HB GLU 11 1HB GLU 11 0.358 2.320 10.334 92 2HB GLU 11 2HB GLU 11 -0.166 0.685 9.957 93 1HG GLU 11 1HG GLU 11 1.306 0.552 11.805 94 2HG GLU 11 2HG GLU 11 2.168 -0.079 10.402 95 H ARG 12 H ARG 12 -0.272 -0.316 7.508 96 HA ARG 12 HA ARG 12 1.653 -2.408 7.558 97 1HB ARG 12 1HB ARG 12 -0.666 -3.001 7.640 98 2HB ARG 12 2HB ARG 12 -1.011 -2.114 6.165 99 1HG ARG 12 1HG ARG 12 -0.982 -4.558 5.853 100 2HG ARG 12 2HG ARG 12 0.202 -3.717 4.851 101 1HD ARG 12 1HD ARG 12 1.832 -4.947 5.716 102 2HD ARG 12 2HD ARG 12 1.429 -4.374 7.334 103 HE ARG 12 HE ARG 12 -0.397 -6.298 6.959 104 1HH1 ARG 12 1HH1 ARG 12 3.245 -7.959 6.793 105 2HH1 ARG 12 2HH1 ARG 12 3.060 -6.269 6.462 106 1HH2 ARG 12 1HH2 ARG 12 1.424 -9.236 7.320 107 2HH2 ARG 12 2HH2 ARG 12 -0.152 -8.516 7.395 108 H LEU 13 H LEU 13 0.692 -0.006 5.227 109 HA LEU 13 HA LEU 13 1.887 -1.141 2.933 110 1HB LEU 13 1HB LEU 13 0.262 0.602 2.698 111 2HB LEU 13 2HB LEU 13 1.192 1.688 3.705 112 HG LEU 13 HG LEU 13 2.976 1.291 1.726 113 1HD1 LEU 13 1HD1 LEU 13 1.848 1.290 -0.417 114 2HD1 LEU 13 2HD1 LEU 13 1.450 -0.178 0.477 115 3HD1 LEU 13 3HD1 LEU 13 0.280 1.137 0.382 116 1HD2 LEU 13 1HD2 LEU 13 0.780 3.266 1.280 117 2HD2 LEU 13 2HD2 LEU 13 1.796 3.383 2.722 118 3HD2 LEU 13 3HD2 LEU 13 2.526 3.468 1.116 119 H LEU 14 H LEU 14 3.094 0.706 5.622 120 HA LEU 14 HA LEU 14 5.593 1.406 4.421 121 1HB LEU 14 1HB LEU 14 4.368 1.609 7.121 122 2HB LEU 14 2HB LEU 14 6.114 1.726 7.005 123 HG LEU 14 HG LEU 14 4.115 3.513 5.618 124 1HD1 LEU 14 1HD1 LEU 14 5.747 5.049 7.214 125 2HD1 LEU 14 2HD1 LEU 14 4.096 4.556 7.585 126 3HD1 LEU 14 3HD1 LEU 14 5.453 3.613 8.196 127 1HD2 LEU 14 1HD2 LEU 14 6.817 4.481 5.632 128 2HD2 LEU 14 2HD2 LEU 14 6.747 2.895 4.866 129 3HD2 LEU 14 3HD2 LEU 14 5.734 4.208 4.268 130 H GLU 15 H GLU 15 4.444 -1.172 6.534 131 HA GLU 15 HA GLU 15 6.866 -2.290 7.306 132 1HB GLU 15 1HB GLU 15 4.158 -2.972 7.509 133 2HB GLU 15 2HB GLU 15 4.911 -4.343 6.707 134 1HG GLU 15 1HG GLU 15 6.681 -4.075 8.630 135 2HG GLU 15 2HG GLU 15 5.339 -3.275 9.445 136 H LEU 16 H LEU 16 4.875 -3.115 4.472 137 HA LEU 16 HA LEU 16 6.835 -4.903 3.401 138 1HB LEU 16 1HB LEU 16 4.287 -3.713 2.352 139 2HB LEU 16 2HB LEU 16 5.337 -4.654 1.311 140 HG LEU 16 HG LEU 16 4.715 -6.003 3.831 141 1HD1 LEU 16 1HD1 LEU 16 2.400 -6.265 2.125 142 2HD1 LEU 16 2HD1 LEU 16 2.495 -5.945 3.856 143 3HD1 LEU 16 3HD1 LEU 16 2.586 -4.610 2.710 144 1HD2 LEU 16 1HD2 LEU 16 3.896 -7.305 1.385 145 2HD2 LEU 16 2HD2 LEU 16 5.532 -6.659 1.253 146 3HD2 LEU 16 3HD2 LEU 16 5.128 -7.776 2.555 147 H LEU 17 H LEU 17 6.558 -1.538 3.456 148 HA LEU 17 HA LEU 17 7.927 -1.105 0.931 149 1HB LEU 17 1HB LEU 17 6.547 0.580 2.924 150 2HB LEU 17 2HB LEU 17 7.871 1.335 2.063 151 HG LEU 17 HG LEU 17 5.465 1.602 1.162 152 1HD1 LEU 17 1HD1 LEU 17 6.978 0.757 -1.144 153 2HD1 LEU 17 2HD1 LEU 17 6.493 2.377 -0.643 154 3HD1 LEU 17 3HD1 LEU 17 7.979 1.666 -0.014 155 1HD2 LEU 17 1HD2 LEU 17 4.359 -0.174 0.430 156 2HD2 LEU 17 2HD2 LEU 17 5.705 -0.634 -0.613 157 3HD2 LEU 17 3HD2 LEU 17 5.647 -1.200 1.054 158 H LYS 18 H LYS 18 8.839 -1.787 4.103 159 HA LYS 18 HA LYS 18 10.813 -1.623 5.240 160 1HB LYS 18 1HB LYS 18 11.481 -2.030 2.438 161 2HB LYS 18 2HB LYS 18 12.742 -1.158 3.296 162 1HG LYS 18 1HG LYS 18 13.480 -3.202 3.834 163 2HG LYS 18 2HG LYS 18 12.202 -3.156 5.051 164 1HD LYS 18 1HD LYS 18 10.997 -3.986 2.640 165 2HD LYS 18 2HD LYS 18 12.493 -4.904 2.799 166 1HE LYS 18 1HE LYS 18 11.831 -5.888 4.792 167 2HE LYS 18 2HE LYS 18 10.647 -4.626 5.134 168 1HZ LYS 18 1HZ LYS 18 9.213 -5.482 3.452 169 2HZ LYS 18 2HZ LYS 18 10.380 -6.585 2.920 170 3HZ LYS 18 3HZ LYS 18 9.669 -6.779 4.441 171 H LEU 19 H LEU 19 9.296 0.815 4.307 172 HA LEU 19 HA LEU 19 11.404 2.837 4.558 173 1HB LEU 19 1HB LEU 19 10.006 2.871 2.510 174 2HB LEU 19 2HB LEU 19 8.584 3.088 3.507 175 HG LEU 19 HG LEU 19 10.603 5.115 4.031 176 1HD1 LEU 19 1HD1 LEU 19 11.268 5.506 1.940 177 2HD1 LEU 19 2HD1 LEU 19 10.063 4.410 1.266 178 3HD1 LEU 19 3HD1 LEU 19 9.629 6.078 1.635 179 1HD2 LEU 19 1HD2 LEU 19 7.687 4.894 3.532 180 2HD2 LEU 19 2HD2 LEU 19 8.554 5.691 4.843 181 3HD2 LEU 19 3HD2 LEU 19 8.451 6.458 3.258 182 HA PRO 20 HA PRO 20 9.927 3.053 8.834 183 1HB PRO 20 1HB PRO 20 11.424 5.621 8.566 184 2HB PRO 20 2HB PRO 20 11.478 4.416 9.857 185 1HG PRO 20 1HG PRO 20 13.417 4.572 8.025 186 2HG PRO 20 2HG PRO 20 12.877 3.012 8.674 187 1HD PRO 20 1HD PRO 20 12.397 4.228 6.011 188 2HD PRO 20 2HD PRO 20 12.482 2.518 6.476 189 H ARG 21 H ARG 21 8.789 4.665 10.150 190 HA ARG 21 HA ARG 21 6.805 6.072 8.554 191 1HB ARG 21 1HB ARG 21 5.525 6.230 10.608 192 2HB ARG 21 2HB ARG 21 6.077 4.576 10.382 193 1HG ARG 21 1HG ARG 21 8.050 5.291 11.904 194 2HG ARG 21 2HG ARG 21 6.978 6.614 12.370 195 1HD ARG 21 1HD ARG 21 5.525 5.241 13.451 196 2HD ARG 21 2HD ARG 21 5.838 3.879 12.375 197 HE ARG 21 HE ARG 21 8.144 4.028 13.692 198 1HH1 ARG 21 1HH1 ARG 21 5.260 3.448 16.410 199 2HH1 ARG 21 2HH1 ARG 21 4.860 4.139 14.873 200 1HH2 ARG 21 1HH2 ARG 21 7.420 2.867 16.884 201 2HH2 ARG 21 2HH2 ARG 21 8.666 3.115 15.707 202 H GLN 22 H GLN 22 9.732 6.830 9.862 203 HA GLN 22 HA GLN 22 9.123 9.399 10.989 204 1HB GLN 22 1HB GLN 22 11.073 7.963 11.653 205 2HB GLN 22 2HB GLN 22 11.801 8.330 10.096 206 1HG GLN 22 1HG GLN 22 12.823 9.860 11.464 207 2HG GLN 22 2HG GLN 22 11.478 10.800 10.818 208 1HE2 GLN 22 1HE2 GLN 22 9.878 11.239 13.877 209 2HE2 GLN 22 2HE2 GLN 22 9.808 11.400 12.157 210 H LEU 23 H LEU 23 10.118 8.148 7.903 211 HA LEU 23 HA LEU 23 10.295 10.868 6.833 212 1HB LEU 23 1HB LEU 23 11.568 10.025 5.025 213 2HB LEU 23 2HB LEU 23 12.223 9.321 6.485 214 HG LEU 23 HG LEU 23 12.246 7.640 4.804 215 1HD1 LEU 23 1HD1 LEU 23 11.003 5.877 5.781 216 2HD1 LEU 23 2HD1 LEU 23 11.460 6.967 7.093 217 3HD1 LEU 23 3HD1 LEU 23 9.821 7.001 6.449 218 1HD2 LEU 23 1HD2 LEU 23 9.309 7.749 4.393 219 2HD2 LEU 23 2HD2 LEU 23 10.347 8.881 3.526 220 3HD2 LEU 23 3HD2 LEU 23 10.579 7.146 3.330 221 H TRP 24 H TRP 24 7.903 8.946 7.399 222 HA TRP 24 HA TRP 24 6.615 8.294 5.021 223 1HB TRP 24 1HB TRP 24 5.775 7.460 7.099 224 2HB TRP 24 2HB TRP 24 5.543 9.082 7.732 225 HD1 TRP 24 HD1 TRP 24 3.312 10.342 7.089 226 HE1 TRP 24 HE1 TRP 24 1.112 9.560 6.007 227 HE3 TRP 24 HE3 TRP 24 4.859 5.818 5.280 228 HZ2 TRP 24 HZ2 TRP 24 0.156 7.315 4.580 229 HZ3 TRP 24 HZ3 TRP 24 3.239 4.414 4.067 230 HH2 TRP 24 HH2 TRP 24 0.939 5.152 3.723 231 H GLY 25 H GLY 25 6.459 9.707 3.379 232 1HA GLY 25 1HA GLY 25 4.577 11.581 3.050 233 2HA GLY 25 2HA GLY 25 5.829 12.503 3.867 234 H ASP 26 H ASP 26 7.974 10.937 2.588 235 HA ASP 26 HA ASP 26 8.221 12.534 0.217 236 1HB ASP 26 1HB ASP 26 10.069 11.734 1.896 237 2HB ASP 26 2HB ASP 26 10.091 10.291 0.891 238 H PHE 27 H PHE 27 6.540 11.797 -1.133 239 HA PHE 27 HA PHE 27 5.828 9.264 -1.839 240 1HB PHE 27 1HB PHE 27 4.802 11.409 -2.661 241 2HB PHE 27 2HB PHE 27 6.104 11.509 -3.839 242 HD1 PHE 27 HD1 PHE 27 3.363 9.280 -2.689 243 HD2 PHE 27 HD2 PHE 27 5.883 10.475 -5.902 244 HE1 PHE 27 HE1 PHE 27 2.065 7.866 -4.228 245 HE2 PHE 27 HE2 PHE 27 4.587 9.066 -7.448 246 HZ PHE 27 HZ PHE 27 2.675 7.760 -6.612 247 H GLY 28 H GLY 28 8.482 11.140 -3.282 248 1HA GLY 28 1HA GLY 28 9.258 9.307 -5.231 249 2HA GLY 28 2HA GLY 28 10.327 10.474 -4.468 250 H ARG 29 H ARG 29 9.965 9.355 -1.794 251 HA ARG 29 HA ARG 29 11.985 7.318 -1.972 252 1HB ARG 29 1HB ARG 29 11.250 9.193 -0.071 253 2HB ARG 29 2HB ARG 29 10.779 7.666 0.660 254 1HG ARG 29 1HG ARG 29 13.016 6.821 0.461 255 2HG ARG 29 2HG ARG 29 13.514 8.247 -0.451 256 1HD ARG 29 1HD ARG 29 13.267 9.654 1.442 257 2HD ARG 29 2HD ARG 29 12.433 8.395 2.352 258 HE ARG 29 HE ARG 29 14.844 7.285 1.849 259 1HH1 ARG 29 1HH1 ARG 29 15.281 10.484 4.220 260 2HH1 ARG 29 2HH1 ARG 29 13.881 10.351 3.210 261 1HH2 ARG 29 1HH2 ARG 29 16.876 8.845 4.197 262 2HH2 ARG 29 2HH2 ARG 29 16.688 7.462 3.173 263 H MET 30 H MET 30 8.693 7.395 -0.577 264 HA MET 30 HA MET 30 8.540 4.674 0.020 265 1HB MET 30 1HB MET 30 5.998 5.068 -0.236 266 2HB MET 30 2HB MET 30 6.870 5.946 1.011 267 1HG MET 30 1HG MET 30 6.947 7.539 -1.311 268 2HG MET 30 2HG MET 30 5.296 6.950 -1.144 269 1HE MET 30 1HE MET 30 4.161 8.082 2.251 270 2HE MET 30 2HE MET 30 4.391 6.640 1.263 271 3HE MET 30 3HE MET 30 5.520 7.003 2.569 272 H GLN 31 H GLN 31 7.420 6.385 -2.904 273 HA GLN 31 HA GLN 31 6.380 4.184 -4.248 274 1HB GLN 31 1HB GLN 31 6.092 6.533 -4.972 275 2HB GLN 31 2HB GLN 31 7.779 6.572 -5.467 276 1HG GLN 31 1HG GLN 31 7.307 4.751 -7.072 277 2HG GLN 31 2HG GLN 31 5.604 4.847 -6.626 278 1HE2 GLN 31 1HE2 GLN 31 7.311 7.711 -8.974 279 2HE2 GLN 31 2HE2 GLN 31 8.280 6.621 -8.047 280 H GLN 32 H GLN 32 9.696 5.433 -4.171 281 HA GLN 32 HA GLN 32 10.825 3.749 -6.087 282 1HB GLN 32 1HB GLN 32 11.889 5.738 -4.862 283 2HB GLN 32 2HB GLN 32 12.262 4.597 -3.576 284 1HG GLN 32 1HG GLN 32 14.205 4.670 -4.844 285 2HG GLN 32 2HG GLN 32 13.396 3.202 -5.393 286 1HE2 GLN 32 1HE2 GLN 32 13.409 4.182 -8.690 287 2HE2 GLN 32 2HE2 GLN 32 13.359 2.933 -7.499 288 H ALA 33 H ALA 33 10.207 3.248 -2.653 289 HA ALA 33 HA ALA 33 11.476 0.686 -2.534 290 1HB ALA 33 1HB ALA 33 9.979 2.427 -0.701 291 2HB ALA 33 2HB ALA 33 9.794 0.698 -0.401 292 3HB ALA 33 3HB ALA 33 11.401 1.425 -0.410 293 H TYR 34 H TYR 34 8.179 1.852 -2.981 294 HA TYR 34 HA TYR 34 6.737 -0.479 -2.729 295 1HB TYR 34 1HB TYR 34 5.632 1.645 -3.075 296 2HB TYR 34 2HB TYR 34 6.337 1.797 -4.682 297 HD1 TYR 34 HD1 TYR 34 3.615 0.441 -2.730 298 HD2 TYR 34 HD2 TYR 34 5.607 0.217 -6.487 299 HE1 TYR 34 HE1 TYR 34 1.674 -0.722 -3.695 300 HE2 TYR 34 HE2 TYR 34 3.662 -0.927 -7.458 301 HH TYR 34 HH TYR 34 1.408 -2.428 -5.825 302 H LYS 35 H LYS 35 8.454 0.718 -5.595 303 HA LYS 35 HA LYS 35 7.733 -1.508 -7.229 304 1HB LYS 35 1HB LYS 35 9.281 0.943 -7.505 305 2HB LYS 35 2HB LYS 35 10.045 -0.414 -8.324 306 1HG LYS 35 1HG LYS 35 7.265 -0.459 -8.922 307 2HG LYS 35 2HG LYS 35 7.873 1.175 -9.193 308 1HD LYS 35 1HD LYS 35 9.826 -0.063 -10.409 309 2HD LYS 35 2HD LYS 35 8.664 -1.387 -10.511 310 1HE LYS 35 1HE LYS 35 7.048 0.340 -11.473 311 2HE LYS 35 2HE LYS 35 8.461 1.378 -11.667 312 1HZ LYS 35 1HZ LYS 35 9.449 -0.183 -13.131 313 2HZ LYS 35 2HZ LYS 35 8.274 -1.356 -12.803 314 3HZ LYS 35 3HZ LYS 35 7.857 0.041 -13.662 315 H GLN 36 H GLN 36 10.470 -0.702 -5.181 316 HA GLN 36 HA GLN 36 12.162 -2.815 -6.004 317 1HB GLN 36 1HB GLN 36 12.808 -0.727 -4.703 318 2HB GLN 36 2HB GLN 36 12.155 -1.525 -3.280 319 1HG GLN 36 1HG GLN 36 13.795 -3.203 -3.333 320 2HG GLN 36 2HG GLN 36 14.281 -2.785 -4.976 321 1HE2 GLN 36 1HE2 GLN 36 16.346 -0.104 -4.035 322 2HE2 GLN 36 2HE2 GLN 36 15.401 -0.793 -5.308 323 H GLN 37 H GLN 37 9.648 -2.552 -3.557 324 HA GLN 37 HA GLN 37 10.205 -5.225 -2.559 325 1HB GLN 37 1HB GLN 37 8.011 -3.302 -1.778 326 2HB GLN 37 2HB GLN 37 8.460 -4.773 -0.925 327 1HG GLN 37 1HG GLN 37 10.163 -2.315 -1.268 328 2HG GLN 37 2HG GLN 37 9.356 -2.838 0.208 329 1HE2 GLN 37 1HE2 GLN 37 11.619 -5.536 0.799 330 2HE2 GLN 37 2HE2 GLN 37 9.947 -5.114 0.895 331 H SER 38 H SER 38 8.134 -3.686 -4.836 332 HA SER 38 HA SER 38 6.023 -5.587 -4.834 333 1HB SER 38 1HB SER 38 6.951 -3.461 -6.738 334 2HB SER 38 2HB SER 38 5.726 -4.621 -7.251 335 HG SER 38 HG SER 38 4.685 -2.868 -6.361 336 H LEU 39 H LEU 39 9.133 -5.388 -6.418 337 HA LEU 39 HA LEU 39 8.669 -7.448 -8.318 338 1HB LEU 39 1HB LEU 39 11.250 -6.354 -7.199 339 2HB LEU 39 2HB LEU 39 11.137 -7.444 -8.568 340 HG LEU 39 HG LEU 39 9.916 -4.687 -8.488 341 1HD1 LEU 39 1HD1 LEU 39 11.727 -4.020 -9.966 342 2HD1 LEU 39 2HD1 LEU 39 12.357 -4.579 -8.417 343 3HD1 LEU 39 3HD1 LEU 39 12.443 -5.626 -9.834 344 1HD2 LEU 39 1HD2 LEU 39 8.963 -5.147 -10.445 345 2HD2 LEU 39 2HD2 LEU 39 10.431 -5.891 -11.076 346 3HD2 LEU 39 3HD2 LEU 39 9.307 -6.842 -10.106 347 H LEU 40 H LEU 40 9.967 -7.393 -5.036 348 HA LEU 40 HA LEU 40 10.713 -10.172 -5.114 349 1HB LEU 40 1HB LEU 40 11.037 -9.861 -2.626 350 2HB LEU 40 2HB LEU 40 12.043 -8.884 -3.676 351 HG LEU 40 HG LEU 40 10.115 -7.103 -3.271 352 1HD1 LEU 40 1HD1 LEU 40 9.068 -7.233 -1.177 353 2HD1 LEU 40 2HD1 LEU 40 8.857 -8.831 -1.895 354 3HD1 LEU 40 3HD1 LEU 40 10.089 -8.574 -0.657 355 1HD2 LEU 40 1HD2 LEU 40 12.676 -7.677 -2.100 356 2HD2 LEU 40 2HD2 LEU 40 11.943 -6.122 -2.475 357 3HD2 LEU 40 3HD2 LEU 40 11.624 -6.892 -0.923 358 H LEU 41 H LEU 41 7.795 -8.533 -4.716 359 HA LEU 41 HA LEU 41 6.607 -10.617 -3.055 360 1HB LEU 41 1HB LEU 41 5.681 -7.950 -4.058 361 2HB LEU 41 2HB LEU 41 4.513 -9.127 -3.489 362 HG LEU 41 HG LEU 41 6.793 -8.003 -1.859 363 1HD1 LEU 41 1HD1 LEU 41 4.081 -7.496 -0.948 364 2HD1 LEU 41 2HD1 LEU 41 5.440 -6.389 -1.138 365 3HD1 LEU 41 3HD1 LEU 41 4.416 -6.774 -2.520 366 1HD2 LEU 41 1HD2 LEU 41 4.805 -10.160 -1.395 367 2HD2 LEU 41 2HD2 LEU 41 6.477 -10.021 -0.850 368 3HD2 LEU 41 3HD2 LEU 41 5.207 -9.100 -0.043 369 H HIS 42 H HIS 42 7.368 -10.367 -6.215 370 HA HIS 42 HA HIS 42 4.885 -11.402 -7.303 371 1HB HIS 42 1HB HIS 42 6.470 -9.745 -8.485 372 2HB HIS 42 2HB HIS 42 7.486 -11.147 -8.799 373 HD1 HIS 42 HD1 HIS 42 6.904 -12.523 -10.795 374 HD2 HIS 42 HD2 HIS 42 3.818 -9.975 -9.686 375 HE1 HIS 42 HE1 HIS 42 5.180 -12.731 -12.610 376 HE2 HIS 42 HE2 HIS 42 3.275 -11.260 -11.865 377 HA PRO 43 HA PRO 43 5.593 -15.721 -6.755 378 1HB PRO 43 1HB PRO 43 4.922 -15.839 -9.667 379 2HB PRO 43 2HB PRO 43 4.298 -16.813 -8.330 380 1HG PRO 43 1HG PRO 43 2.856 -14.821 -9.353 381 2HG PRO 43 2HG PRO 43 2.861 -15.146 -7.610 382 1HD PRO 43 1HD PRO 43 4.150 -12.943 -9.125 383 2HD PRO 43 2HD PRO 43 3.544 -12.967 -7.460 384 H ASP 44 H ASP 44 7.091 -14.043 -9.478 385 HA ASP 44 HA ASP 44 8.918 -16.184 -10.057 386 1HB ASP 44 1HB ASP 44 8.535 -13.399 -11.054 387 2HB ASP 44 2HB ASP 44 10.082 -14.187 -11.342 388 H LYS 45 H LYS 45 8.861 -13.598 -7.805 389 HA LYS 45 HA LYS 45 11.710 -14.060 -7.217 390 1HB LYS 45 1HB LYS 45 10.199 -11.552 -6.508 391 2HB LYS 45 2HB LYS 45 11.937 -11.811 -6.488 392 1HG LYS 45 1HG LYS 45 10.225 -11.780 -8.965 393 2HG LYS 45 2HG LYS 45 11.195 -10.427 -8.379 394 1HD LYS 45 1HD LYS 45 13.195 -11.470 -8.888 395 2HD LYS 45 2HD LYS 45 12.482 -13.085 -8.842 396 1HE LYS 45 1HE LYS 45 11.118 -12.273 -10.887 397 2HE LYS 45 2HE LYS 45 12.351 -11.018 -11.005 398 1HZ LYS 45 1HZ LYS 45 12.909 -13.934 -10.983 399 2HZ LYS 45 2HZ LYS 45 12.840 -12.978 -12.377 400 3HZ LYS 45 3HZ LYS 45 14.038 -12.695 -11.217 401 H GLY 46 H GLY 46 9.420 -15.569 -6.229 402 1HA GLY 46 1HA GLY 46 8.772 -16.518 -4.238 403 2HA GLY 46 2HA GLY 46 10.124 -15.681 -3.492 404 H GLY 47 H GLY 47 6.793 -15.217 -4.615 405 1HA GLY 47 1HA GLY 47 6.370 -13.444 -2.311 406 2HA GLY 47 2HA GLY 47 5.933 -12.868 -3.913 407 H SER 48 H SER 48 4.148 -13.137 -1.732 408 HA SER 48 HA SER 48 2.563 -15.516 -2.280 409 1HB SER 48 1HB SER 48 2.774 -13.575 -0.106 410 2HB SER 48 2HB SER 48 1.101 -13.946 -0.524 411 HG SER 48 HG SER 48 3.130 -15.829 0.109 412 H HIS 49 H HIS 49 0.170 -15.228 -2.558 413 HA HIS 49 HA HIS 49 -0.293 -13.438 -4.771 414 1HB HIS 49 1HB HIS 49 -1.168 -15.882 -4.420 415 2HB HIS 49 2HB HIS 49 -2.447 -15.094 -3.501 416 HD1 HIS 49 HD1 HIS 49 -4.010 -13.443 -4.851 417 HD2 HIS 49 HD2 HIS 49 -1.408 -15.715 -7.164 418 HE1 HIS 49 HE1 HIS 49 -4.877 -13.270 -7.204 419 HE2 HIS 49 HE2 HIS 49 -3.258 -14.610 -8.595 420 H ALA 50 H ALA 50 -1.747 -13.935 -1.559 421 HA ALA 50 HA ALA 50 -3.498 -11.727 -1.690 422 1HB ALA 50 1HB ALA 50 -2.385 -13.295 0.623 423 2HB ALA 50 2HB ALA 50 -3.553 -11.989 0.825 424 3HB ALA 50 3HB ALA 50 -3.983 -13.418 -0.114 425 H LEU 51 H LEU 51 -0.126 -12.003 -0.881 426 HA LEU 51 HA LEU 51 0.163 -9.608 0.581 427 1HB LEU 51 1HB LEU 51 1.965 -11.501 -0.807 428 2HB LEU 51 2HB LEU 51 2.595 -9.886 -0.541 429 HG LEU 51 HG LEU 51 2.004 -10.183 1.905 430 1HD1 LEU 51 1HD1 LEU 51 1.102 -12.068 2.690 431 2HD1 LEU 51 2HD1 LEU 51 0.671 -12.410 1.015 432 3HD1 LEU 51 3HD1 LEU 51 2.148 -13.087 1.699 433 1HD2 LEU 51 1HD2 LEU 51 4.276 -10.287 1.344 434 2HD2 LEU 51 2HD2 LEU 51 3.979 -11.754 2.274 435 3HD2 LEU 51 3HD2 LEU 51 4.092 -11.832 0.516 436 H MET 52 H MET 52 0.767 -10.314 -2.858 437 HA MET 52 HA MET 52 1.488 -7.708 -3.592 438 1HB MET 52 1HB MET 52 0.905 -10.211 -4.931 439 2HB MET 52 2HB MET 52 0.283 -8.844 -5.845 440 1HG MET 52 1HG MET 52 3.077 -8.788 -4.802 441 2HG MET 52 2HG MET 52 2.694 -9.697 -6.262 442 1HE MET 52 1HE MET 52 2.987 -6.630 -4.388 443 2HE MET 52 2HE MET 52 4.138 -5.991 -5.562 444 3HE MET 52 3HE MET 52 2.530 -5.279 -5.425 445 H GLN 53 H GLN 53 -1.628 -9.141 -3.043 446 HA GLN 53 HA GLN 53 -3.101 -7.119 -4.464 447 1HB GLN 53 1HB GLN 53 -4.090 -9.119 -2.424 448 2HB GLN 53 2HB GLN 53 -5.084 -8.181 -3.530 449 1HG GLN 53 1HG GLN 53 -2.994 -10.121 -4.465 450 2HG GLN 53 2HG GLN 53 -4.667 -10.586 -4.155 451 1HE2 GLN 53 1HE2 GLN 53 -3.643 -8.486 -7.477 452 2HE2 GLN 53 2HE2 GLN 53 -2.527 -8.738 -6.184 453 H GLU 54 H GLU 54 -1.979 -7.621 -1.198 454 HA GLU 54 HA GLU 54 -3.644 -5.659 0.025 455 1HB GLU 54 1HB GLU 54 -1.316 -7.310 0.826 456 2HB GLU 54 2HB GLU 54 -1.562 -5.820 1.730 457 1HG GLU 54 1HG GLU 54 -3.905 -7.586 1.315 458 2HG GLU 54 2HG GLU 54 -2.664 -8.112 2.451 459 H LEU 55 H LEU 55 -0.233 -5.645 -0.999 460 HA LEU 55 HA LEU 55 0.260 -2.965 -0.292 461 1HB LEU 55 1HB LEU 55 2.091 -4.453 -0.564 462 2HB LEU 55 2HB LEU 55 1.602 -4.866 -2.194 463 HG LEU 55 HG LEU 55 2.062 -2.368 -2.720 464 1HD1 LEU 55 1HD1 LEU 55 2.384 -2.018 -0.139 465 2HD1 LEU 55 2HD1 LEU 55 4.026 -2.560 -0.490 466 3HD1 LEU 55 3HD1 LEU 55 3.374 -1.138 -1.302 467 1HD2 LEU 55 1HD2 LEU 55 3.867 -3.171 -3.746 468 2HD2 LEU 55 2HD2 LEU 55 4.659 -3.562 -2.219 469 3HD2 LEU 55 3HD2 LEU 55 3.519 -4.700 -2.939 470 H ASN 56 H ASN 56 -0.815 -4.466 -3.314 471 HA ASN 56 HA ASN 56 -0.636 -2.177 -4.936 472 1HB ASN 56 1HB ASN 56 -1.789 -4.838 -5.139 473 2HB ASN 56 2HB ASN 56 -2.798 -3.634 -5.928 474 1HD2 ASN 56 1HD2 ASN 56 0.742 -4.763 -7.515 475 2HD2 ASN 56 2HD2 ASN 56 0.192 -5.341 -5.983 476 H SER 57 H SER 57 -3.209 -3.384 -2.847 477 HA SER 57 HA SER 57 -5.108 -1.392 -3.620 478 1HB SER 57 1HB SER 57 -5.347 -3.765 -2.361 479 2HB SER 57 2HB SER 57 -5.369 -2.689 -0.965 480 HG SER 57 HG SER 57 -7.386 -2.419 -1.468 481 H LEU 58 H LEU 58 -2.729 -1.727 -1.054 482 HA LEU 58 HA LEU 58 -3.583 0.561 0.416 483 1HB LEU 58 1HB LEU 58 -1.084 -1.106 0.441 484 2HB LEU 58 2HB LEU 58 -1.234 0.334 1.430 485 HG LEU 58 HG LEU 58 -3.170 -1.973 1.585 486 1HD1 LEU 58 1HD1 LEU 58 -0.470 -1.704 2.652 487 2HD1 LEU 58 2HD1 LEU 58 -1.685 -2.040 3.885 488 3HD1 LEU 58 3HD1 LEU 58 -1.498 -3.128 2.510 489 1HD2 LEU 58 1HD2 LEU 58 -4.143 -0.006 2.470 490 2HD2 LEU 58 2HD2 LEU 58 -3.565 -0.928 3.856 491 3HD2 LEU 58 3HD2 LEU 58 -2.649 0.461 3.279 492 H TRP 59 H TRP 59 -1.545 0.084 -2.351 493 HA TRP 59 HA TRP 59 -0.332 2.712 -2.115 494 1HB TRP 59 1HB TRP 59 1.068 0.885 -2.871 495 2HB TRP 59 2HB TRP 59 -0.048 0.524 -4.180 496 HD1 TRP 59 HD1 TRP 59 0.721 1.397 -6.427 497 HE1 TRP 59 HE1 TRP 59 2.236 3.294 -7.271 498 HE3 TRP 59 HE3 TRP 59 1.906 3.560 -1.940 499 HZ2 TRP 59 HZ2 TRP 59 3.742 5.419 -6.184 500 HZ3 TRP 59 HZ3 TRP 59 3.395 5.517 -1.940 501 HH2 TRP 59 HH2 TRP 59 4.291 6.426 -4.016 502 H GLY 60 H GLY 60 -3.046 1.199 -3.573 503 1HA GLY 60 1HA GLY 60 -3.382 3.111 -5.705 504 2HA GLY 60 2HA GLY 60 -4.550 1.904 -5.193 505 H THR 61 H THR 61 -5.283 2.421 -2.740 506 HA THR 61 HA THR 61 -6.899 4.705 -2.854 507 HB THR 61 HB THR 61 -6.741 2.585 -1.176 508 HG1 THR 61 HG1 THR 61 -8.590 3.415 -0.660 509 1HG2 THR 61 1HG2 THR 61 -5.346 4.750 0.252 510 2HG2 THR 61 2HG2 THR 61 -6.532 3.794 1.118 511 3HG2 THR 61 3HG2 THR 61 -5.154 3.000 0.361 512 H PHE 62 H PHE 62 -3.894 4.043 -1.214 513 HA PHE 62 HA PHE 62 -3.245 6.422 -0.011 514 1HB PHE 62 1HB PHE 62 -1.857 4.414 0.120 515 2HB PHE 62 2HB PHE 62 -1.479 4.540 -1.595 516 HD1 PHE 62 HD1 PHE 62 0.863 4.224 -0.580 517 HD2 PHE 62 HD2 PHE 62 -1.484 7.744 -0.057 518 HE1 PHE 62 HE1 PHE 62 2.895 5.499 -0.043 519 HE2 PHE 62 HE2 PHE 62 0.551 9.021 0.475 520 HZ PHE 62 HZ PHE 62 2.743 7.896 0.477 521 H LYS 63 H LYS 63 -2.482 5.436 -3.313 522 HA LYS 63 HA LYS 63 -1.386 7.839 -4.210 523 1HB LYS 63 1HB LYS 63 -2.110 5.303 -5.270 524 2HB LYS 63 2HB LYS 63 -2.796 6.511 -6.322 525 1HG LYS 63 1HG LYS 63 -0.594 7.529 -6.607 526 2HG LYS 63 2HG LYS 63 0.097 6.324 -5.519 527 1HD LYS 63 1HD LYS 63 -1.049 5.931 -8.268 528 2HD LYS 63 2HD LYS 63 0.567 5.538 -7.683 529 1HE LYS 63 1HE LYS 63 -0.452 3.814 -6.198 530 2HE LYS 63 2HE LYS 63 -2.013 4.160 -6.940 531 1HZ LYS 63 1HZ LYS 63 -1.402 2.514 -8.317 532 2HZ LYS 63 2HZ LYS 63 -0.518 3.723 -9.101 533 3HZ LYS 63 3HZ LYS 63 0.250 2.692 -8.003 534 H THR 64 H THR 64 -4.757 6.722 -4.127 535 HA THR 64 HA THR 64 -5.946 8.681 -5.685 536 HB THR 64 HB THR 64 -7.051 7.527 -3.112 537 HG1 THR 64 HG1 THR 64 -7.990 5.987 -4.494 538 1HG2 THR 64 1HG2 THR 64 -8.161 9.472 -4.781 539 2HG2 THR 64 2HG2 THR 64 -8.991 7.965 -5.166 540 3HG2 THR 64 3HG2 THR 64 -8.962 8.556 -3.505 541 H GLU 65 H GLU 65 -4.879 8.800 -2.337 542 HA GLU 65 HA GLU 65 -5.737 11.553 -2.038 543 1HB GLU 65 1HB GLU 65 -5.237 11.362 0.227 544 2HB GLU 65 2HB GLU 65 -5.732 9.729 -0.189 545 1HG GLU 65 1HG GLU 65 -3.870 9.274 1.025 546 2HG GLU 65 2HG GLU 65 -3.154 9.408 -0.574 547 H VAL 66 H VAL 66 -2.912 9.767 -2.928 548 HA VAL 66 HA VAL 66 -0.900 11.553 -2.301 549 HB VAL 66 HB VAL 66 -1.117 9.581 -4.545 550 1HG1 VAL 66 1HG1 VAL 66 0.829 10.192 -5.503 551 2HG1 VAL 66 2HG1 VAL 66 0.503 11.767 -4.785 552 3HG1 VAL 66 3HG1 VAL 66 1.564 10.628 -3.961 553 1HG2 VAL 66 1HG2 VAL 66 0.412 8.300 -3.229 554 2HG2 VAL 66 2HG2 VAL 66 0.691 9.658 -2.138 555 3HG2 VAL 66 3HG2 VAL 66 -0.875 8.853 -2.161 556 H TYR 67 H TYR 67 -2.974 11.434 -5.174 557 HA TYR 67 HA TYR 67 -1.764 13.587 -6.530 558 1HB TYR 67 1HB TYR 67 -3.843 11.811 -7.053 559 2HB TYR 67 2HB TYR 67 -4.633 13.385 -7.004 560 HD1 TYR 67 HD1 TYR 67 -5.025 14.112 -9.158 561 HD2 TYR 67 HD2 TYR 67 -1.296 12.262 -8.274 562 HE1 TYR 67 HE1 TYR 67 -4.259 14.574 -11.448 563 HE2 TYR 67 HE2 TYR 67 -0.520 12.720 -10.562 564 HH TYR 67 HH TYR 67 -2.644 14.238 -12.964 565 H ASN 68 H ASN 68 -3.961 13.435 -3.868 566 HA ASN 68 HA ASN 68 -4.697 16.239 -4.092 567 1HB ASN 68 1HB ASN 68 -5.589 13.932 -2.428 568 2HB ASN 68 2HB ASN 68 -5.820 15.554 -1.782 569 1HD2 ASN 68 1HD2 ASN 68 -8.454 14.105 -4.316 570 2HD2 ASN 68 2HD2 ASN 68 -7.318 13.187 -3.395 571 H LEU 69 H LEU 69 -2.429 14.229 -2.402 572 HA LEU 69 HA LEU 69 -1.945 15.891 -0.184 573 1HB LEU 69 1HB LEU 69 -0.199 14.497 0.331 574 2HB LEU 69 2HB LEU 69 -1.160 13.457 -0.693 575 HG LEU 69 HG LEU 69 0.450 14.324 -2.584 576 1HD1 LEU 69 1HD1 LEU 69 1.547 15.961 -1.004 577 2HD1 LEU 69 2HD1 LEU 69 2.255 14.569 -0.193 578 3HD1 LEU 69 3HD1 LEU 69 2.637 14.894 -1.883 579 1HD2 LEU 69 1HD2 LEU 69 2.068 12.507 -1.104 580 2HD2 LEU 69 2HD2 LEU 69 0.375 12.081 -0.855 581 3HD2 LEU 69 3HD2 LEU 69 1.027 12.181 -2.491 582 H ARG 70 H ARG 70 -1.141 16.251 -3.494 583 HA ARG 70 HA ARG 70 1.075 18.016 -3.063 584 1HB ARG 70 1HB ARG 70 -0.301 16.851 -5.377 585 2HB ARG 70 2HB ARG 70 0.325 18.471 -5.646 586 1HG ARG 70 1HG ARG 70 2.092 17.169 -6.312 587 2HG ARG 70 2HG ARG 70 2.516 17.508 -4.632 588 1HD ARG 70 1HD ARG 70 1.713 15.356 -3.935 589 2HD ARG 70 2HD ARG 70 1.062 15.031 -5.539 590 HE ARG 70 HE ARG 70 3.953 15.361 -5.084 591 1HH1 ARG 70 1HH1 ARG 70 2.268 12.355 -7.128 592 2HH1 ARG 70 2HH1 ARG 70 1.261 13.514 -6.333 593 1HH2 ARG 70 1HH2 ARG 70 4.540 12.529 -7.013 594 2HH2 ARG 70 2HH2 ARG 70 5.273 13.830 -6.133 595 H MET 71 H MET 71 -2.034 18.429 -2.457 596 HA MET 71 HA MET 71 -2.151 21.213 -3.373 597 1HB MET 71 1HB MET 71 -4.241 19.226 -2.550 598 2HB MET 71 2HB MET 71 -4.593 20.948 -2.493 599 1HG MET 71 1HG MET 71 -3.798 20.985 -4.931 600 2HG MET 71 2HG MET 71 -3.979 19.233 -4.868 601 1HE MET 71 1HE MET 71 -6.534 22.665 -5.024 602 2HE MET 71 2HE MET 71 -7.239 22.021 -3.541 603 3HE MET 71 3HE MET 71 -5.509 22.348 -3.625 604 H ASN 72 H ASN 72 -1.924 19.223 -0.544 605 HA ASN 72 HA ASN 72 -2.547 21.404 1.266 606 1HB ASN 72 1HB ASN 72 -1.898 18.496 1.603 607 2HB ASN 72 2HB ASN 72 -1.777 19.585 2.982 608 1HD2 ASN 72 1HD2 ASN 72 -5.308 18.140 1.877 609 2HD2 ASN 72 2HD2 ASN 72 -3.786 17.572 1.288 610 H LEU 73 H LEU 73 0.122 20.540 -0.494 611 HA LEU 73 HA LEU 73 2.112 21.106 1.526 612 1HB LEU 73 1HB LEU 73 2.133 19.654 -0.797 613 2HB LEU 73 2HB LEU 73 2.953 21.123 -1.286 614 HG LEU 73 HG LEU 73 3.781 19.488 1.108 615 1HD1 LEU 73 1HD1 LEU 73 4.404 17.969 -0.427 616 2HD1 LEU 73 2HD1 LEU 73 4.311 19.119 -1.760 617 3HD1 LEU 73 3HD1 LEU 73 5.734 19.091 -0.718 618 1HD2 LEU 73 1HD2 LEU 73 4.876 21.412 1.505 619 2HD2 LEU 73 2HD2 LEU 73 5.965 20.834 0.242 620 3HD2 LEU 73 3HD2 LEU 73 4.686 21.983 -0.154 621 H GLY 74 H GLY 74 1.578 23.219 2.148 622 1HA GLY 74 1HA GLY 74 2.795 25.254 0.521 623 2HA GLY 74 2HA GLY 74 1.050 25.426 0.638 624 H GLY 75 H GLY 75 3.752 26.660 1.827 625 1HA GLY 75 1HA GLY 75 2.442 27.439 4.321 626 2HA GLY 75 2HA GLY 75 4.021 26.679 4.453 627 H THR 76 H THR 76 2.908 29.477 4.979 628 HA THR 76 HA THR 76 4.312 31.170 3.135 629 HB THR 76 HB THR 76 3.632 32.995 4.599 630 HG1 THR 76 HG1 THR 76 3.821 32.264 6.626 631 1HG2 THR 76 1HG2 THR 76 1.115 31.795 4.952 632 2HG2 THR 76 2HG2 THR 76 1.634 32.895 3.674 633 3HG2 THR 76 3HG2 THR 76 1.791 31.152 3.456 634 H GLY 77 H GLY 77 6.434 31.447 3.128 635 1HA GLY 77 1HA GLY 77 7.907 31.080 5.657 636 2HA GLY 77 2HA GLY 77 8.585 30.820 4.058 637 H PHE 78 H PHE 78 6.817 33.493 5.623 638 HA PHE 78 HA PHE 78 8.748 35.362 4.469 639 1HB PHE 78 1HB PHE 78 5.998 35.466 4.692 640 2HB PHE 78 2HB PHE 78 6.534 36.519 5.997 641 HD1 PHE 78 HD1 PHE 78 8.591 38.105 5.207 642 HD2 PHE 78 HD2 PHE 78 5.547 36.496 2.705 643 HE1 PHE 78 HE1 PHE 78 8.969 39.918 3.587 644 HE2 PHE 78 HE2 PHE 78 5.920 38.306 1.080 645 HZ PHE 78 HZ PHE 78 7.634 40.019 1.519 646 H GLN 79 H GLN 79 9.339 33.631 6.799 647 HA GLN 79 HA GLN 79 9.967 35.762 8.734 648 1HB GLN 79 1HB GLN 79 8.263 34.121 9.559 649 2HB GLN 79 2HB GLN 79 9.473 32.857 9.401 650 1HG GLN 79 1HG GLN 79 10.866 33.921 11.053 651 2HG GLN 79 2HG GLN 79 9.756 35.286 11.151 652 1HE2 GLN 79 1HE2 GLN 79 8.405 31.703 12.610 653 2HE2 GLN 79 2HE2 GLN 79 9.313 31.764 11.142 Start of MODEL 16 1 1H MET 1 1H MET 1 -17.409 1.366 0.100 2 2H MET 1 2H MET 1 -17.728 2.641 1.205 3 3H MET 1 3H MET 1 -19.027 1.805 0.459 4 HA MET 1 HA MET 1 -18.058 2.578 -1.703 5 1HB MET 1 1HB MET 1 -19.621 4.012 0.355 6 2HB MET 1 2HB MET 1 -19.024 5.010 -0.964 7 1HG MET 1 1HG MET 1 -20.110 3.545 -2.578 8 2HG MET 1 2HG MET 1 -20.691 2.522 -1.265 9 1HE MET 1 1HE MET 1 -22.238 3.666 0.786 10 2HE MET 1 2HE MET 1 -23.755 4.168 0.040 11 3HE MET 1 3HE MET 1 -22.980 2.665 -0.463 12 H ASP 2 H ASP 2 -17.220 4.587 1.124 13 HA ASP 2 HA ASP 2 -15.340 6.165 -0.309 14 1HB ASP 2 1HB ASP 2 -15.489 5.786 2.685 15 2HB ASP 2 2HB ASP 2 -14.800 7.154 1.817 16 H ARG 3 H ARG 3 -13.350 5.633 -0.915 17 HA ARG 3 HA ARG 3 -12.077 3.296 0.292 18 1HB ARG 3 1HB ARG 3 -12.320 3.854 -2.285 19 2HB ARG 3 2HB ARG 3 -10.858 4.786 -1.991 20 1HG ARG 3 1HG ARG 3 -9.765 2.762 -1.125 21 2HG ARG 3 2HG ARG 3 -11.224 1.839 -1.483 22 1HD ARG 3 1HD ARG 3 -10.914 1.977 -3.762 23 2HD ARG 3 2HD ARG 3 -9.943 3.445 -3.648 24 HE ARG 3 HE ARG 3 -8.361 1.645 -2.454 25 1HH1 ARG 3 1HH1 ARG 3 -8.953 0.489 -6.244 26 2HH1 ARG 3 2HH1 ARG 3 -10.098 1.543 -5.484 27 1HH2 ARG 3 1HH2 ARG 3 -7.116 -0.236 -5.096 28 2HH2 ARG 3 2HH2 ARG 3 -6.856 0.265 -3.459 29 H VAL 4 H VAL 4 -11.420 4.197 2.258 30 HA VAL 4 HA VAL 4 -9.047 5.900 2.029 31 HB VAL 4 HB VAL 4 -9.715 7.133 4.082 32 1HG1 VAL 4 1HG1 VAL 4 -11.082 8.712 2.964 33 2HG1 VAL 4 2HG1 VAL 4 -10.066 7.970 1.728 34 3HG1 VAL 4 3HG1 VAL 4 -11.753 7.481 1.894 35 1HG2 VAL 4 1HG2 VAL 4 -11.443 5.297 4.678 36 2HG2 VAL 4 2HG2 VAL 4 -11.819 6.979 5.047 37 3HG2 VAL 4 3HG2 VAL 4 -12.526 6.207 3.626 38 H LEU 5 H LEU 5 -7.378 5.089 3.070 39 HA LEU 5 HA LEU 5 -7.758 2.802 4.823 40 1HB LEU 5 1HB LEU 5 -5.566 2.244 4.387 41 2HB LEU 5 2HB LEU 5 -6.071 2.964 2.896 42 HG LEU 5 HG LEU 5 -4.560 4.525 4.971 43 1HD1 LEU 5 1HD1 LEU 5 -3.508 2.784 2.749 44 2HD1 LEU 5 2HD1 LEU 5 -2.568 4.080 3.489 45 3HD1 LEU 5 3HD1 LEU 5 -3.105 2.716 4.462 46 1HD2 LEU 5 1HD2 LEU 5 -4.008 5.352 2.373 47 2HD2 LEU 5 2HD2 LEU 5 -5.736 5.027 2.403 48 3HD2 LEU 5 3HD2 LEU 5 -5.037 6.161 3.553 49 H SER 6 H SER 6 -7.164 2.688 6.945 50 HA SER 6 HA SER 6 -7.006 5.225 8.336 51 1HB SER 6 1HB SER 6 -7.469 3.991 10.328 52 2HB SER 6 2HB SER 6 -8.485 3.298 9.063 53 HG SER 6 HG SER 6 -7.459 1.478 9.264 54 H ARG 7 H ARG 7 -5.584 4.829 10.542 55 HA ARG 7 HA ARG 7 -2.937 5.261 9.778 56 1HB ARG 7 1HB ARG 7 -2.386 5.092 12.156 57 2HB ARG 7 2HB ARG 7 -3.852 6.032 11.917 58 1HG ARG 7 1HG ARG 7 -5.218 4.340 12.761 59 2HG ARG 7 2HG ARG 7 -3.969 3.108 12.563 60 1HD ARG 7 1HD ARG 7 -3.908 5.397 14.527 61 2HD ARG 7 2HD ARG 7 -4.254 3.711 14.912 62 HE ARG 7 HE ARG 7 -1.795 3.711 13.672 63 1HH1 ARG 7 1HH1 ARG 7 -1.692 5.165 17.404 64 2HH1 ARG 7 2HH1 ARG 7 -3.188 5.151 16.530 65 1HH2 ARG 7 1HH2 ARG 7 0.215 4.358 16.436 66 2HH2 ARG 7 2HH2 ARG 7 0.174 3.730 14.822 67 H ALA 8 H ALA 8 -4.591 2.323 10.764 68 HA ALA 8 HA ALA 8 -2.319 0.689 11.075 69 1HB ALA 8 1HB ALA 8 -4.674 -0.708 10.082 70 2HB ALA 8 2HB ALA 8 -3.809 -0.887 11.609 71 3HB ALA 8 3HB ALA 8 -5.029 0.374 11.428 72 H ASP 9 H ASP 9 -4.369 1.416 8.287 73 HA ASP 9 HA ASP 9 -3.201 -0.426 6.509 74 1HB ASP 9 1HB ASP 9 -4.721 2.137 6.113 75 2HB ASP 9 2HB ASP 9 -4.129 1.206 4.755 76 H LYS 10 H LYS 10 -2.680 3.119 6.702 77 HA LYS 10 HA LYS 10 -0.562 3.230 4.902 78 1HB LYS 10 1HB LYS 10 0.138 5.306 6.189 79 2HB LYS 10 2HB LYS 10 -1.497 5.288 5.557 80 1HG LYS 10 1HG LYS 10 -1.920 6.083 7.629 81 2HG LYS 10 2HG LYS 10 -2.036 4.358 7.960 82 1HD LYS 10 1HD LYS 10 -0.694 5.293 9.679 83 2HD LYS 10 2HD LYS 10 0.398 4.426 8.601 84 1HE LYS 10 1HE LYS 10 0.662 6.725 7.430 85 2HE LYS 10 2HE LYS 10 0.019 7.374 8.938 86 1HZ LYS 10 1HZ LYS 10 2.026 7.199 9.820 87 2HZ LYS 10 2HZ LYS 10 2.023 5.526 9.569 88 3HZ LYS 10 3HZ LYS 10 2.638 6.558 8.379 89 H GLU 11 H GLU 11 -0.633 2.380 8.273 90 HA GLU 11 HA GLU 11 2.199 2.342 8.645 91 1HB GLU 11 1HB GLU 11 -0.135 1.243 10.193 92 2HB GLU 11 2HB GLU 11 1.515 0.837 10.646 93 1HG GLU 11 1HG GLU 11 1.157 3.688 10.260 94 2HG GLU 11 2HG GLU 11 0.070 3.032 11.482 95 H ARG 12 H ARG 12 -0.271 -0.016 7.802 96 HA ARG 12 HA ARG 12 1.375 -2.315 7.803 97 1HB ARG 12 1HB ARG 12 -1.252 -1.998 7.637 98 2HB ARG 12 2HB ARG 12 -0.926 -2.046 5.913 99 1HG ARG 12 1HG ARG 12 -0.183 -4.182 7.899 100 2HG ARG 12 2HG ARG 12 -1.553 -4.234 6.790 101 1HD ARG 12 1HD ARG 12 0.547 -3.696 5.113 102 2HD ARG 12 2HD ARG 12 1.281 -4.765 6.306 103 HE ARG 12 HE ARG 12 -0.456 -5.530 4.238 104 1HH1 ARG 12 1HH1 ARG 12 -0.562 -7.738 7.579 105 2HH1 ARG 12 2HH1 ARG 12 0.101 -6.141 7.631 106 1HH2 ARG 12 1HH2 ARG 12 -1.367 -8.587 5.613 107 2HH2 ARG 12 2HH2 ARG 12 -1.320 -7.632 4.168 108 H LEU 13 H LEU 13 0.410 -0.022 5.293 109 HA LEU 13 HA LEU 13 1.694 -1.223 3.112 110 1HB LEU 13 1HB LEU 13 0.052 0.506 2.799 111 2HB LEU 13 2HB LEU 13 1.003 1.646 3.724 112 HG LEU 13 HG LEU 13 2.742 1.042 1.721 113 1HD1 LEU 13 1HD1 LEU 13 1.720 0.695 -0.305 114 2HD1 LEU 13 2HD1 LEU 13 0.698 -0.279 0.751 115 3HD1 LEU 13 3HD1 LEU 13 0.168 1.326 0.246 116 1HD2 LEU 13 1HD2 LEU 13 0.686 3.157 1.275 117 2HD2 LEU 13 2HD2 LEU 13 1.728 3.239 2.698 118 3HD2 LEU 13 3HD2 LEU 13 2.439 3.230 1.083 119 H LEU 14 H LEU 14 2.846 0.783 5.709 120 HA LEU 14 HA LEU 14 5.347 1.452 4.511 121 1HB LEU 14 1HB LEU 14 4.161 1.694 7.243 122 2HB LEU 14 2HB LEU 14 5.882 1.957 7.023 123 HG LEU 14 HG LEU 14 3.631 3.519 5.761 124 1HD1 LEU 14 1HD1 LEU 14 5.506 3.961 8.015 125 2HD1 LEU 14 2HD1 LEU 14 5.109 5.342 6.993 126 3HD1 LEU 14 3HD1 LEU 14 3.825 4.461 7.820 127 1HD2 LEU 14 1HD2 LEU 14 5.002 4.127 4.131 128 2HD2 LEU 14 2HD2 LEU 14 6.151 4.734 5.321 129 3HD2 LEU 14 3HD2 LEU 14 6.258 3.065 4.766 130 H GLU 15 H GLU 15 4.242 -1.045 6.758 131 HA GLU 15 HA GLU 15 6.698 -2.087 7.541 132 1HB GLU 15 1HB GLU 15 4.132 -3.600 7.016 133 2HB GLU 15 2HB GLU 15 5.497 -4.200 7.945 134 1HG GLU 15 1HG GLU 15 5.095 -2.758 9.713 135 2HG GLU 15 2HG GLU 15 4.127 -1.663 8.726 136 H LEU 16 H LEU 16 4.636 -3.172 4.847 137 HA LEU 16 HA LEU 16 6.596 -4.945 3.792 138 1HB LEU 16 1HB LEU 16 4.066 -3.782 2.652 139 2HB LEU 16 2HB LEU 16 5.074 -4.906 1.762 140 HG LEU 16 HG LEU 16 4.749 -6.522 3.700 141 1HD1 LEU 16 1HD1 LEU 16 2.545 -6.063 4.915 142 2HD1 LEU 16 2HD1 LEU 16 3.976 -5.181 5.452 143 3HD1 LEU 16 3HD1 LEU 16 2.777 -4.382 4.434 144 1HD2 LEU 16 1HD2 LEU 16 2.131 -6.632 2.888 145 2HD2 LEU 16 2HD2 LEU 16 2.904 -5.743 1.576 146 3HD2 LEU 16 3HD2 LEU 16 3.503 -7.338 2.032 147 H LEU 17 H LEU 17 6.209 -1.577 3.649 148 HA LEU 17 HA LEU 17 7.568 -1.259 1.102 149 1HB LEU 17 1HB LEU 17 6.144 0.506 3.004 150 2HB LEU 17 2HB LEU 17 7.421 1.241 2.060 151 HG LEU 17 HG LEU 17 4.898 1.237 1.254 152 1HD1 LEU 17 1HD1 LEU 17 6.242 0.851 -1.150 153 2HD1 LEU 17 2HD1 LEU 17 5.985 2.374 -0.301 154 3HD1 LEU 17 3HD1 LEU 17 7.462 1.452 -0.031 155 1HD2 LEU 17 1HD2 LEU 17 5.694 -1.001 -0.469 156 2HD2 LEU 17 2HD2 LEU 17 5.289 -1.448 1.187 157 3HD2 LEU 17 3HD2 LEU 17 4.118 -0.582 0.199 158 H LYS 18 H LYS 18 8.497 -1.740 4.300 159 HA LYS 18 HA LYS 18 10.446 -1.419 5.446 160 1HB LYS 18 1HB LYS 18 11.162 -1.973 2.683 161 2HB LYS 18 2HB LYS 18 12.374 -0.993 3.494 162 1HG LYS 18 1HG LYS 18 13.167 -2.778 4.545 163 2HG LYS 18 2HG LYS 18 11.576 -3.115 5.231 164 1HD LYS 18 1HD LYS 18 11.244 -3.975 2.675 165 2HD LYS 18 2HD LYS 18 12.950 -4.341 2.944 166 1HE LYS 18 1HE LYS 18 11.974 -5.284 5.233 167 2HE LYS 18 2HE LYS 18 10.531 -5.470 4.237 168 1HZ LYS 18 1HZ LYS 18 11.423 -7.350 3.511 169 2HZ LYS 18 2HZ LYS 18 12.605 -6.441 2.712 170 3HZ LYS 18 3HZ LYS 18 12.903 -7.033 4.268 171 H LEU 19 H LEU 19 8.832 0.878 4.386 172 HA LEU 19 HA LEU 19 10.830 3.020 4.482 173 1HB LEU 19 1HB LEU 19 9.376 2.838 2.470 174 2HB LEU 19 2HB LEU 19 7.978 3.067 3.499 175 HG LEU 19 HG LEU 19 9.955 5.196 3.786 176 1HD1 LEU 19 1HD1 LEU 19 8.871 6.049 1.459 177 2HD1 LEU 19 2HD1 LEU 19 10.470 5.326 1.610 178 3HD1 LEU 19 3HD1 LEU 19 9.103 4.334 1.115 179 1HD2 LEU 19 1HD2 LEU 19 7.799 6.496 3.233 180 2HD2 LEU 19 2HD2 LEU 19 7.005 4.928 3.350 181 3HD2 LEU 19 3HD2 LEU 19 7.869 5.583 4.741 182 HA PRO 20 HA PRO 20 9.264 3.395 8.731 183 1HB PRO 20 1HB PRO 20 10.887 5.878 8.482 184 2HB PRO 20 2HB PRO 20 10.877 4.662 9.764 185 1HG PRO 20 1HG PRO 20 12.855 4.764 7.973 186 2HG PRO 20 2HG PRO 20 12.246 3.216 8.588 187 1HD PRO 20 1HD PRO 20 11.815 4.513 5.947 188 2HD PRO 20 2HD PRO 20 11.917 2.791 6.359 189 H ARG 21 H ARG 21 8.116 5.094 9.925 190 HA ARG 21 HA ARG 21 6.280 6.503 8.184 191 1HB ARG 21 1HB ARG 21 5.084 7.035 10.303 192 2HB ARG 21 2HB ARG 21 5.310 5.311 10.038 193 1HG ARG 21 1HG ARG 21 6.313 5.115 11.995 194 2HG ARG 21 2HG ARG 21 7.534 6.297 11.517 195 1HD ARG 21 1HD ARG 21 5.651 8.023 12.090 196 2HD ARG 21 2HD ARG 21 5.002 6.690 13.046 197 HE ARG 21 HE ARG 21 7.790 7.246 13.519 198 1HH1 ARG 21 1HH1 ARG 21 4.950 8.561 16.016 199 2HH1 ARG 21 2HH1 ARG 21 4.510 7.996 14.440 200 1HH2 ARG 21 1HH2 ARG 21 7.143 8.556 16.669 201 2HH2 ARG 21 2HH2 ARG 21 8.371 7.986 15.591 202 H GLN 22 H GLN 22 9.195 7.183 9.647 203 HA GLN 22 HA GLN 22 8.798 9.854 10.502 204 1HB GLN 22 1HB GLN 22 10.674 8.442 11.251 205 2HB GLN 22 2HB GLN 22 11.334 8.466 9.621 206 1HG GLN 22 1HG GLN 22 11.016 11.140 10.246 207 2HG GLN 22 2HG GLN 22 11.573 10.411 11.752 208 1HE2 GLN 22 1HE2 GLN 22 14.725 9.420 10.428 209 2HE2 GLN 22 2HE2 GLN 22 13.469 8.920 11.503 210 H LEU 23 H LEU 23 9.719 8.390 7.457 211 HA LEU 23 HA LEU 23 9.921 11.050 6.257 212 1HB LEU 23 1HB LEU 23 11.140 10.096 4.458 213 2HB LEU 23 2HB LEU 23 11.829 9.496 5.947 214 HG LEU 23 HG LEU 23 11.814 7.742 4.301 215 1HD1 LEU 23 1HD1 LEU 23 11.330 7.115 6.654 216 2HD1 LEU 23 2HD1 LEU 23 9.614 7.144 6.255 217 3HD1 LEU 23 3HD1 LEU 23 10.678 5.987 5.460 218 1HD2 LEU 23 1HD2 LEU 23 9.762 8.801 3.123 219 2HD2 LEU 23 2HD2 LEU 23 10.028 7.064 3.048 220 3HD2 LEU 23 3HD2 LEU 23 8.845 7.722 4.175 221 H TRP 24 H TRP 24 7.500 9.182 6.917 222 HA TRP 24 HA TRP 24 6.164 8.428 4.614 223 1HB TRP 24 1HB TRP 24 5.353 7.854 6.822 224 2HB TRP 24 2HB TRP 24 5.081 9.547 7.207 225 HD1 TRP 24 HD1 TRP 24 2.817 10.632 6.408 226 HE1 TRP 24 HE1 TRP 24 0.661 9.659 5.395 227 HE3 TRP 24 HE3 TRP 24 4.530 5.983 5.161 228 HZ2 TRP 24 HZ2 TRP 24 -0.205 7.232 4.227 229 HZ3 TRP 24 HZ3 TRP 24 2.974 4.393 4.097 230 HH2 TRP 24 HH2 TRP 24 0.660 5.012 3.640 231 H GLY 25 H GLY 25 5.860 9.647 2.844 232 1HA GLY 25 1HA GLY 25 4.129 11.525 2.304 233 2HA GLY 25 2HA GLY 25 5.302 12.512 3.161 234 H ASP 26 H ASP 26 7.503 10.779 2.018 235 HA ASP 26 HA ASP 26 7.913 12.361 -0.353 236 1HB ASP 26 1HB ASP 26 9.670 11.603 1.417 237 2HB ASP 26 2HB ASP 26 9.708 10.106 0.488 238 H PHE 27 H PHE 27 6.673 11.759 -2.056 239 HA PHE 27 HA PHE 27 5.772 9.224 -2.697 240 1HB PHE 27 1HB PHE 27 5.052 11.419 -3.735 241 2HB PHE 27 2HB PHE 27 6.483 11.307 -4.755 242 HD1 PHE 27 HD1 PHE 27 6.093 10.544 -6.872 243 HD2 PHE 27 HD2 PHE 27 3.724 9.021 -3.682 244 HE1 PHE 27 HE1 PHE 27 4.858 9.135 -8.468 245 HE2 PHE 27 HE2 PHE 27 2.484 7.611 -5.273 246 HZ PHE 27 HZ PHE 27 3.054 7.663 -7.668 247 H GLY 28 H GLY 28 8.653 10.880 -3.976 248 1HA GLY 28 1HA GLY 28 9.571 8.865 -5.650 249 2HA GLY 28 2HA GLY 28 10.601 10.044 -4.856 250 H ARG 29 H ARG 29 9.766 9.097 -2.170 251 HA ARG 29 HA ARG 29 11.732 7.000 -1.936 252 1HB ARG 29 1HB ARG 29 11.334 8.962 -0.304 253 2HB ARG 29 2HB ARG 29 9.998 7.998 0.311 254 1HG ARG 29 1HG ARG 29 11.812 7.530 1.721 255 2HG ARG 29 2HG ARG 29 11.684 6.137 0.647 256 1HD ARG 29 1HD ARG 29 14.002 6.787 0.901 257 2HD ARG 29 2HD ARG 29 13.465 7.060 -0.756 258 HE ARG 29 HE ARG 29 13.204 9.396 0.870 259 1HH1 ARG 29 1HH1 ARG 29 16.528 8.828 -1.292 260 2HH1 ARG 29 2HH1 ARG 29 15.469 7.495 -0.982 261 1HH2 ARG 29 1HH2 ARG 29 16.033 10.906 -0.470 262 2HH2 ARG 29 2HH2 ARG 29 14.596 11.154 0.462 263 H MET 30 H MET 30 8.285 7.298 -1.036 264 HA MET 30 HA MET 30 7.888 4.658 -0.254 265 1HB MET 30 1HB MET 30 5.471 5.069 -0.810 266 2HB MET 30 2HB MET 30 6.206 6.253 0.260 267 1HG MET 30 1HG MET 30 6.575 7.673 -1.808 268 2HG MET 30 2HG MET 30 5.503 6.551 -2.640 269 1HE MET 30 1HE MET 30 4.570 7.329 1.238 270 2HE MET 30 2HE MET 30 5.885 8.360 0.672 271 3HE MET 30 3HE MET 30 4.301 9.057 1.011 272 H GLN 31 H GLN 31 7.498 6.116 -3.467 273 HA GLN 31 HA GLN 31 6.588 3.779 -4.754 274 1HB GLN 31 1HB GLN 31 6.609 6.247 -5.574 275 2HB GLN 31 2HB GLN 31 8.227 5.874 -6.155 276 1HG GLN 31 1HG GLN 31 7.179 3.916 -7.377 277 2HG GLN 31 2HG GLN 31 5.621 4.654 -7.003 278 1HE2 GLN 31 1HE2 GLN 31 8.164 6.751 -9.440 279 2HE2 GLN 31 2HE2 GLN 31 8.779 5.862 -8.092 280 H GLN 32 H GLN 32 9.824 5.048 -4.133 281 HA GLN 32 HA GLN 32 11.287 3.312 -5.764 282 1HB GLN 32 1HB GLN 32 11.933 5.341 -4.079 283 2HB GLN 32 2HB GLN 32 12.490 3.961 -3.145 284 1HG GLN 32 1HG GLN 32 14.289 3.740 -4.415 285 2HG GLN 32 2HG GLN 32 13.320 3.727 -5.888 286 1HE2 GLN 32 1HE2 GLN 32 15.726 6.697 -5.488 287 2HE2 GLN 32 2HE2 GLN 32 15.916 5.050 -4.999 288 H ALA 33 H ALA 33 10.221 2.943 -2.401 289 HA ALA 33 HA ALA 33 11.378 0.333 -2.137 290 1HB ALA 33 1HB ALA 33 9.272 0.987 -0.233 291 2HB ALA 33 2HB ALA 33 10.963 0.581 0.043 292 3HB ALA 33 3HB ALA 33 10.509 2.235 -0.360 293 H TYR 34 H TYR 34 8.125 1.615 -2.741 294 HA TYR 34 HA TYR 34 6.656 -0.722 -2.528 295 1HB TYR 34 1HB TYR 34 5.603 1.467 -2.896 296 2HB TYR 34 2HB TYR 34 6.253 1.513 -4.532 297 HD1 TYR 34 HD1 TYR 34 3.472 0.565 -2.519 298 HD2 TYR 34 HD2 TYR 34 5.553 -0.424 -6.105 299 HE1 TYR 34 HE1 TYR 34 1.489 -0.635 -3.347 300 HE2 TYR 34 HE2 TYR 34 3.569 -1.607 -6.938 301 HH TYR 34 HH TYR 34 0.750 -1.250 -6.163 302 H LYS 35 H LYS 35 8.437 0.532 -5.328 303 HA LYS 35 HA LYS 35 7.765 -1.645 -7.035 304 1HB LYS 35 1HB LYS 35 9.266 0.810 -7.218 305 2HB LYS 35 2HB LYS 35 10.181 -0.508 -7.938 306 1HG LYS 35 1HG LYS 35 7.727 -0.950 -8.997 307 2HG LYS 35 2HG LYS 35 7.727 0.809 -8.850 308 1HD LYS 35 1HD LYS 35 8.756 0.716 -10.856 309 2HD LYS 35 2HD LYS 35 10.192 0.406 -9.878 310 1HE LYS 35 1HE LYS 35 9.202 -2.095 -10.108 311 2HE LYS 35 2HE LYS 35 8.664 -1.399 -11.635 312 1HZ LYS 35 1HZ LYS 35 11.299 -2.159 -10.807 313 2HZ LYS 35 2HZ LYS 35 10.698 -1.877 -12.363 314 3HZ LYS 35 3HZ LYS 35 11.251 -0.584 -11.424 315 H GLN 36 H GLN 36 10.398 -0.962 -4.822 316 HA GLN 36 HA GLN 36 12.126 -3.049 -5.630 317 1HB GLN 36 1HB GLN 36 11.849 -1.351 -3.184 318 2HB GLN 36 2HB GLN 36 12.898 -2.763 -3.127 319 1HG GLN 36 1HG GLN 36 14.120 -1.876 -5.088 320 2HG GLN 36 2HG GLN 36 13.124 -0.423 -5.004 321 1HE2 GLN 36 1HE2 GLN 36 15.011 1.088 -2.540 322 2HE2 GLN 36 2HE2 GLN 36 13.724 1.173 -3.690 323 H GLN 37 H GLN 37 9.550 -2.845 -3.225 324 HA GLN 37 HA GLN 37 9.959 -5.563 -2.345 325 1HB GLN 37 1HB GLN 37 7.684 -3.684 -1.705 326 2HB GLN 37 2HB GLN 37 8.122 -5.145 -0.829 327 1HG GLN 37 1HG GLN 37 9.953 -2.780 -1.109 328 2HG GLN 37 2HG GLN 37 8.829 -2.981 0.231 329 1HE2 GLN 37 1HE2 GLN 37 10.620 -6.004 1.323 330 2HE2 GLN 37 2HE2 GLN 37 9.019 -5.606 0.819 331 H SER 38 H SER 38 8.059 -3.926 -4.717 332 HA SER 38 HA SER 38 6.033 -5.930 -4.975 333 1HB SER 38 1HB SER 38 5.330 -4.729 -6.942 334 2HB SER 38 2HB SER 38 5.773 -3.538 -5.720 335 HG SER 38 HG SER 38 6.856 -3.988 -8.172 336 H LEU 39 H LEU 39 9.186 -5.340 -6.356 337 HA LEU 39 HA LEU 39 8.976 -7.228 -8.474 338 1HB LEU 39 1HB LEU 39 11.152 -5.646 -7.218 339 2HB LEU 39 2HB LEU 39 11.623 -7.070 -8.127 340 HG LEU 39 HG LEU 39 10.002 -4.766 -9.210 341 1HD1 LEU 39 1HD1 LEU 39 12.422 -4.311 -8.702 342 2HD1 LEU 39 2HD1 LEU 39 12.824 -5.546 -9.897 343 3HD1 LEU 39 3HD1 LEU 39 11.945 -4.096 -10.387 344 1HD2 LEU 39 1HD2 LEU 39 9.410 -6.143 -10.848 345 2HD2 LEU 39 2HD2 LEU 39 11.114 -6.343 -11.261 346 3HD2 LEU 39 3HD2 LEU 39 10.344 -7.457 -10.131 347 H LEU 40 H LEU 40 9.847 -7.431 -5.101 348 HA LEU 40 HA LEU 40 10.843 -10.146 -5.416 349 1HB LEU 40 1HB LEU 40 11.168 -10.027 -2.925 350 2HB LEU 40 2HB LEU 40 12.106 -8.890 -3.873 351 HG LEU 40 HG LEU 40 10.070 -7.283 -3.305 352 1HD1 LEU 40 1HD1 LEU 40 8.765 -8.972 -2.149 353 2HD1 LEU 40 2HD1 LEU 40 10.091 -9.244 -1.020 354 3HD1 LEU 40 3HD1 LEU 40 9.252 -7.694 -1.036 355 1HD2 LEU 40 1HD2 LEU 40 11.472 -7.012 -0.993 356 2HD2 LEU 40 2HD2 LEU 40 12.611 -7.920 -1.986 357 3HD2 LEU 40 3HD2 LEU 40 11.981 -6.374 -2.555 358 H LEU 41 H LEU 41 7.882 -8.587 -4.825 359 HA LEU 41 HA LEU 41 6.733 -10.900 -3.459 360 1HB LEU 41 1HB LEU 41 5.761 -8.122 -4.029 361 2HB LEU 41 2HB LEU 41 4.626 -9.383 -3.588 362 HG LEU 41 HG LEU 41 6.959 -8.488 -1.892 363 1HD1 LEU 41 1HD1 LEU 41 5.656 -6.973 -0.908 364 2HD1 LEU 41 2HD1 LEU 41 4.629 -7.116 -2.335 365 3HD1 LEU 41 3HD1 LEU 41 4.262 -8.052 -0.886 366 1HD2 LEU 41 1HD2 LEU 41 4.643 -10.180 -1.018 367 2HD2 LEU 41 2HD2 LEU 41 6.095 -10.900 -1.706 368 3HD2 LEU 41 3HD2 LEU 41 6.202 -9.943 -0.231 369 H HIS 42 H HIS 42 7.320 -9.986 -6.588 370 HA HIS 42 HA HIS 42 4.892 -10.632 -7.884 371 1HB HIS 42 1HB HIS 42 7.013 -9.402 -8.771 372 2HB HIS 42 2HB HIS 42 7.579 -11.020 -9.164 373 HD1 HIS 42 HD1 HIS 42 6.332 -8.393 -10.917 374 HD2 HIS 42 HD2 HIS 42 4.983 -12.302 -10.555 375 HE1 HIS 42 HE1 HIS 42 4.941 -8.818 -12.968 376 HE2 HIS 42 HE2 HIS 42 4.269 -11.239 -12.799 377 HA PRO 43 HA PRO 43 4.595 -15.035 -7.199 378 1HB PRO 43 1HB PRO 43 3.533 -14.870 -9.992 379 2HB PRO 43 2HB PRO 43 2.883 -15.730 -8.592 380 1HG PRO 43 1HG PRO 43 1.836 -13.408 -9.386 381 2HG PRO 43 2HG PRO 43 1.976 -13.817 -7.666 382 1HD PRO 43 1HD PRO 43 3.526 -11.874 -9.275 383 2HD PRO 43 2HD PRO 43 3.180 -11.883 -7.538 384 H ASP 44 H ASP 44 5.949 -13.708 -10.191 385 HA ASP 44 HA ASP 44 7.149 -16.130 -11.060 386 1HB ASP 44 1HB ASP 44 6.831 -13.506 -12.071 387 2HB ASP 44 2HB ASP 44 8.558 -13.839 -12.064 388 H LYS 45 H LYS 45 7.938 -14.037 -8.539 389 HA LYS 45 HA LYS 45 10.752 -14.901 -8.577 390 1HB LYS 45 1HB LYS 45 9.641 -12.601 -6.980 391 2HB LYS 45 2HB LYS 45 11.325 -12.949 -7.351 392 1HG LYS 45 1HG LYS 45 9.393 -12.398 -9.560 393 2HG LYS 45 2HG LYS 45 10.082 -11.071 -8.631 394 1HD LYS 45 1HD LYS 45 12.318 -11.754 -9.218 395 2HD LYS 45 2HD LYS 45 11.699 -13.194 -10.029 396 1HE LYS 45 1HE LYS 45 11.112 -12.053 -11.880 397 2HE LYS 45 2HE LYS 45 10.560 -10.652 -10.965 398 1HZ LYS 45 1HZ LYS 45 12.928 -10.069 -10.626 399 2HZ LYS 45 2HZ LYS 45 13.364 -11.328 -11.667 400 3HZ LYS 45 3HZ LYS 45 12.454 -10.027 -12.250 401 H GLY 46 H GLY 46 8.503 -16.479 -7.617 402 1HA GLY 46 1HA GLY 46 8.078 -17.907 -5.870 403 2HA GLY 46 2HA GLY 46 9.617 -17.402 -5.190 404 H GLY 47 H GLY 47 7.317 -14.917 -5.829 405 1HA GLY 47 1HA GLY 47 7.032 -14.503 -2.952 406 2HA GLY 47 2HA GLY 47 6.627 -13.346 -4.211 407 H SER 48 H SER 48 4.866 -13.625 -2.206 408 HA SER 48 HA SER 48 2.833 -15.549 -2.997 409 1HB SER 48 1HB SER 48 3.384 -13.911 -0.606 410 2HB SER 48 2HB SER 48 1.675 -14.103 -1.000 411 HG SER 48 HG SER 48 3.573 -16.039 -0.290 412 H HIS 49 H HIS 49 0.942 -15.071 -3.979 413 HA HIS 49 HA HIS 49 0.747 -12.579 -5.372 414 1HB HIS 49 1HB HIS 49 -1.345 -13.516 -6.295 415 2HB HIS 49 2HB HIS 49 0.003 -14.638 -6.439 416 HD1 HIS 49 HD1 HIS 49 -3.409 -14.387 -5.202 417 HD2 HIS 49 HD2 HIS 49 -0.086 -16.758 -4.416 418 HE1 HIS 49 HE1 HIS 49 -4.291 -16.399 -3.976 419 HE2 HIS 49 HE2 HIS 49 -2.251 -17.777 -3.438 420 H ALA 50 H ALA 50 -0.764 -13.991 -2.545 421 HA ALA 50 HA ALA 50 -2.897 -12.167 -2.279 422 1HB ALA 50 1HB ALA 50 -1.553 -13.483 0.056 423 2HB ALA 50 2HB ALA 50 -3.258 -13.091 -0.168 424 3HB ALA 50 3HB ALA 50 -2.527 -14.407 -1.088 425 H LEU 51 H LEU 51 0.477 -11.847 -1.685 426 HA LEU 51 HA LEU 51 0.177 -9.617 0.144 427 1HB LEU 51 1HB LEU 51 2.418 -11.233 -0.919 428 2HB LEU 51 2HB LEU 51 2.790 -9.571 -0.508 429 HG LEU 51 HG LEU 51 1.444 -10.380 1.725 430 1HD1 LEU 51 1HD1 LEU 51 1.808 -12.745 0.431 431 2HD1 LEU 51 2HD1 LEU 51 3.247 -12.671 1.449 432 3HD1 LEU 51 3HD1 LEU 51 1.645 -12.564 2.177 433 1HD2 LEU 51 1HD2 LEU 51 4.001 -10.931 2.418 434 2HD2 LEU 51 2HD2 LEU 51 4.253 -10.012 0.934 435 3HD2 LEU 51 3HD2 LEU 51 3.344 -9.302 2.268 436 H MET 52 H MET 52 1.451 -10.126 -3.139 437 HA MET 52 HA MET 52 2.060 -7.477 -3.736 438 1HB MET 52 1HB MET 52 2.735 -9.438 -5.097 439 2HB MET 52 2HB MET 52 1.075 -9.586 -5.656 440 1HG MET 52 1HG MET 52 2.256 -8.482 -7.364 441 2HG MET 52 2HG MET 52 1.282 -7.251 -6.560 442 1HE MET 52 1HE MET 52 3.461 -4.656 -5.502 443 2HE MET 52 2HE MET 52 1.882 -5.443 -5.490 444 3HE MET 52 3HE MET 52 3.026 -5.742 -4.182 445 H GLN 53 H GLN 53 -1.010 -9.129 -3.709 446 HA GLN 53 HA GLN 53 -2.391 -7.072 -5.179 447 1HB GLN 53 1HB GLN 53 -4.416 -8.329 -4.650 448 2HB GLN 53 2HB GLN 53 -3.163 -9.397 -5.263 449 1HG GLN 53 1HG GLN 53 -3.480 -10.682 -3.496 450 2HG GLN 53 2HG GLN 53 -2.837 -9.386 -2.492 451 1HE2 GLN 53 1HE2 GLN 53 -6.909 -9.479 -2.927 452 2HE2 GLN 53 2HE2 GLN 53 -5.873 -9.718 -4.288 453 H GLU 54 H GLU 54 -1.786 -7.853 -1.820 454 HA GLU 54 HA GLU 54 -3.729 -6.084 -0.723 455 1HB GLU 54 1HB GLU 54 -2.010 -8.022 0.281 456 2HB GLU 54 2HB GLU 54 -1.394 -6.526 0.966 457 1HG GLU 54 1HG GLU 54 -4.314 -6.971 1.105 458 2HG GLU 54 2HG GLU 54 -3.291 -7.975 2.131 459 H LEU 55 H LEU 55 -0.259 -5.814 -1.386 460 HA LEU 55 HA LEU 55 0.135 -3.253 -0.330 461 1HB LEU 55 1HB LEU 55 1.821 -5.032 -1.163 462 2HB LEU 55 2HB LEU 55 1.597 -4.293 -2.735 463 HG LEU 55 HG LEU 55 2.548 -2.240 -2.016 464 1HD1 LEU 55 1HD1 LEU 55 3.413 -2.483 0.573 465 2HD1 LEU 55 2HD1 LEU 55 2.007 -1.561 0.044 466 3HD1 LEU 55 3HD1 LEU 55 1.807 -3.208 0.636 467 1HD2 LEU 55 1HD2 LEU 55 4.648 -3.385 -0.677 468 2HD2 LEU 55 2HD2 LEU 55 3.937 -4.757 -1.527 469 3HD2 LEU 55 3HD2 LEU 55 4.453 -3.332 -2.429 470 H ASN 56 H ASN 56 -0.800 -4.319 -3.573 471 HA ASN 56 HA ASN 56 -0.749 -1.797 -4.807 472 1HB ASN 56 1HB ASN 56 -1.452 -4.445 -5.533 473 2HB ASN 56 2HB ASN 56 -2.826 -3.420 -5.943 474 1HD2 ASN 56 1HD2 ASN 56 0.403 -3.472 -8.259 475 2HD2 ASN 56 2HD2 ASN 56 0.101 -4.588 -6.975 476 H SER 57 H SER 57 -3.107 -3.357 -2.771 477 HA SER 57 HA SER 57 -5.249 -1.554 -3.394 478 1HB SER 57 1HB SER 57 -4.821 -3.649 -1.275 479 2HB SER 57 2HB SER 57 -6.226 -2.587 -1.236 480 HG SER 57 HG SER 57 -7.036 -4.039 -2.527 481 H LEU 58 H LEU 58 -2.753 -1.771 -0.932 482 HA LEU 58 HA LEU 58 -3.804 0.410 0.620 483 1HB LEU 58 1HB LEU 58 -1.330 -1.270 0.726 484 2HB LEU 58 2HB LEU 58 -1.413 0.215 1.653 485 HG LEU 58 HG LEU 58 -3.532 -1.897 1.911 486 1HD1 LEU 58 1HD1 LEU 58 -1.888 -3.257 2.630 487 2HD1 LEU 58 2HD1 LEU 58 -0.764 -1.929 2.917 488 3HD1 LEU 58 3HD1 LEU 58 -2.020 -2.293 4.101 489 1HD2 LEU 58 1HD2 LEU 58 -3.988 -0.845 4.004 490 2HD2 LEU 58 2HD2 LEU 58 -2.542 0.157 3.883 491 3HD2 LEU 58 3HD2 LEU 58 -3.896 0.425 2.784 492 H TRP 59 H TRP 59 -1.706 0.084 -2.102 493 HA TRP 59 HA TRP 59 -0.530 2.714 -1.733 494 1HB TRP 59 1HB TRP 59 0.955 1.019 -2.554 495 2HB TRP 59 2HB TRP 59 -0.170 0.560 -3.823 496 HD1 TRP 59 HD1 TRP 59 0.385 1.498 -6.117 497 HE1 TRP 59 HE1 TRP 59 1.799 3.443 -7.033 498 HE3 TRP 59 HE3 TRP 59 1.776 3.659 -1.691 499 HZ2 TRP 59 HZ2 TRP 59 3.301 5.600 -6.019 500 HZ3 TRP 59 HZ3 TRP 59 3.202 5.653 -1.758 501 HH2 TRP 59 HH2 TRP 59 3.951 6.607 -3.876 502 H GLY 60 H GLY 60 -3.162 1.182 -3.336 503 1HA GLY 60 1HA GLY 60 -3.539 3.115 -5.410 504 2HA GLY 60 2HA GLY 60 -4.714 1.926 -4.869 505 H THR 61 H THR 61 -5.561 2.450 -2.526 506 HA THR 61 HA THR 61 -7.065 4.793 -2.644 507 HB THR 61 HB THR 61 -7.075 2.652 -1.016 508 HG1 THR 61 HG1 THR 61 -8.691 4.404 -1.366 509 1HG2 THR 61 1HG2 THR 61 -5.815 4.788 0.632 510 2HG2 THR 61 2HG2 THR 61 -6.829 3.528 1.321 511 3HG2 THR 61 3HG2 THR 61 -5.346 3.096 0.467 512 H PHE 62 H PHE 62 -4.166 4.038 -0.841 513 HA PHE 62 HA PHE 62 -3.515 6.369 0.432 514 1HB PHE 62 1HB PHE 62 -2.139 4.360 0.543 515 2HB PHE 62 2HB PHE 62 -1.731 4.518 -1.163 516 HD1 PHE 62 HD1 PHE 62 -1.796 7.575 0.762 517 HD2 PHE 62 HD2 PHE 62 0.626 4.287 -0.449 518 HE1 PHE 62 HE1 PHE 62 0.227 8.849 1.353 519 HE2 PHE 62 HE2 PHE 62 2.648 5.558 0.140 520 HZ PHE 62 HZ PHE 62 2.448 7.837 1.039 521 H LYS 63 H LYS 63 -2.830 5.474 -2.883 522 HA LYS 63 HA LYS 63 -1.518 7.724 -3.803 523 1HB LYS 63 1HB LYS 63 -2.595 5.350 -4.845 524 2HB LYS 63 2HB LYS 63 -3.311 6.632 -5.785 525 1HG LYS 63 1HG LYS 63 -1.059 7.489 -6.294 526 2HG LYS 63 2HG LYS 63 -0.373 6.134 -5.395 527 1HD LYS 63 1HD LYS 63 -2.156 5.901 -7.818 528 2HD LYS 63 2HD LYS 63 -0.401 5.726 -7.823 529 1HE LYS 63 1HE LYS 63 -0.472 3.659 -6.892 530 2HE LYS 63 2HE LYS 63 -1.882 4.023 -5.905 531 1HZ LYS 63 1HZ LYS 63 -1.772 2.640 -8.336 532 2HZ LYS 63 2HZ LYS 63 -3.131 2.980 -7.385 533 3HZ LYS 63 3HZ LYS 63 -2.656 4.061 -8.596 534 H THR 64 H THR 64 -5.016 7.103 -3.581 535 HA THR 64 HA THR 64 -6.015 9.244 -4.991 536 HB THR 64 HB THR 64 -7.039 8.180 -2.346 537 HG1 THR 64 HG1 THR 64 -8.440 6.988 -3.774 538 1HG2 THR 64 1HG2 THR 64 -7.966 10.431 -3.249 539 2HG2 THR 64 2HG2 THR 64 -8.782 9.403 -4.429 540 3HG2 THR 64 3HG2 THR 64 -9.078 9.172 -2.706 541 H GLU 65 H GLU 65 -4.602 9.157 -1.797 542 HA GLU 65 HA GLU 65 -5.035 11.985 -1.341 543 1HB GLU 65 1HB GLU 65 -3.287 10.176 0.316 544 2HB GLU 65 2HB GLU 65 -4.113 11.645 0.814 545 1HG GLU 65 1HG GLU 65 -5.804 9.407 -0.122 546 2HG GLU 65 2HG GLU 65 -4.986 9.211 1.427 547 H VAL 66 H VAL 66 -2.524 9.790 -2.372 548 HA VAL 66 HA VAL 66 -0.261 11.328 -2.085 549 HB VAL 66 HB VAL 66 -0.944 9.381 -4.272 550 1HG1 VAL 66 1HG1 VAL 66 1.889 9.837 -3.708 551 2HG1 VAL 66 2HG1 VAL 66 1.058 9.649 -5.250 552 3HG1 VAL 66 3HG1 VAL 66 1.086 11.218 -4.451 553 1HG2 VAL 66 1HG2 VAL 66 0.833 9.064 -1.860 554 2HG2 VAL 66 2HG2 VAL 66 -0.862 8.581 -1.904 555 3HG2 VAL 66 3HG2 VAL 66 0.304 7.804 -2.977 556 H TYR 67 H TYR 67 -2.708 11.427 -4.621 557 HA TYR 67 HA TYR 67 -1.356 13.228 -6.324 558 1HB TYR 67 1HB TYR 67 -3.594 11.746 -6.589 559 2HB TYR 67 2HB TYR 67 -4.317 13.322 -6.275 560 HD1 TYR 67 HD1 TYR 67 -3.910 15.201 -7.831 561 HD2 TYR 67 HD2 TYR 67 -2.489 11.277 -8.660 562 HE1 TYR 67 HE1 TYR 67 -3.571 15.828 -10.185 563 HE2 TYR 67 HE2 TYR 67 -2.147 11.893 -11.016 564 HH TYR 67 HH TYR 67 -2.002 13.663 -12.464 565 H ASN 68 H ASN 68 -3.525 13.690 -3.587 566 HA ASN 68 HA ASN 68 -3.522 16.566 -3.974 567 1HB ASN 68 1HB ASN 68 -5.112 16.681 -2.171 568 2HB ASN 68 2HB ASN 68 -5.593 15.384 -3.259 569 1HD2 ASN 68 1HD2 ASN 68 -6.049 13.410 -0.456 570 2HD2 ASN 68 2HD2 ASN 68 -6.736 14.191 -1.837 571 H LEU 69 H LEU 69 -1.551 14.304 -2.419 572 HA LEU 69 HA LEU 69 -0.825 15.714 -0.087 573 1HB LEU 69 1HB LEU 69 0.806 14.135 0.207 574 2HB LEU 69 2HB LEU 69 -0.238 13.279 -0.907 575 HG LEU 69 HG LEU 69 1.337 14.251 -2.744 576 1HD1 LEU 69 1HD1 LEU 69 3.253 15.228 -2.146 577 2HD1 LEU 69 2HD1 LEU 69 2.506 15.450 -0.566 578 3HD1 LEU 69 3HD1 LEU 69 3.552 14.063 -0.858 579 1HD2 LEU 69 1HD2 LEU 69 1.601 11.920 -0.968 580 2HD2 LEU 69 2HD2 LEU 69 1.507 12.009 -2.725 581 3HD2 LEU 69 3HD2 LEU 69 3.037 12.320 -1.910 582 H ARG 70 H ARG 70 0.187 15.947 -3.424 583 HA ARG 70 HA ARG 70 2.403 17.659 -2.916 584 1HB ARG 70 1HB ARG 70 0.979 16.732 -5.372 585 2HB ARG 70 2HB ARG 70 2.121 18.066 -5.485 586 1HG ARG 70 1HG ARG 70 3.922 16.706 -4.783 587 2HG ARG 70 2HG ARG 70 2.836 15.407 -4.282 588 1HD ARG 70 1HD ARG 70 2.579 16.210 -7.093 589 2HD ARG 70 2HD ARG 70 4.141 15.516 -6.670 590 HE ARG 70 HE ARG 70 1.548 14.174 -6.601 591 1HH1 ARG 70 1HH1 ARG 70 5.034 12.299 -5.977 592 2HH1 ARG 70 2HH1 ARG 70 4.990 14.027 -6.014 593 1HH2 ARG 70 1HH2 ARG 70 3.116 11.091 -6.277 594 2HH2 ARG 70 2HH2 ARG 70 1.611 11.901 -6.553 595 H MET 71 H MET 71 -0.711 18.247 -2.516 596 HA MET 71 HA MET 71 -0.491 21.068 -3.324 597 1HB MET 71 1HB MET 71 -2.999 19.412 -2.986 598 2HB MET 71 2HB MET 71 -2.951 21.117 -3.417 599 1HG MET 71 1HG MET 71 -2.359 20.705 -5.556 600 2HG MET 71 2HG MET 71 -1.408 19.281 -5.137 601 1HE MET 71 1HE MET 71 -3.542 20.365 -7.223 602 2HE MET 71 2HE MET 71 -3.710 18.734 -7.874 603 3HE MET 71 3HE MET 71 -5.117 19.570 -7.214 604 H ASN 72 H ASN 72 -2.198 19.007 -0.959 605 HA ASN 72 HA ASN 72 -2.594 21.097 0.913 606 1HB ASN 72 1HB ASN 72 -2.635 18.093 1.271 607 2HB ASN 72 2HB ASN 72 -3.162 19.247 2.493 608 1HD2 ASN 72 1HD2 ASN 72 -6.340 19.528 1.206 609 2HD2 ASN 72 2HD2 ASN 72 -5.231 19.739 2.514 610 H LEU 73 H LEU 73 -1.075 22.087 2.055 611 HA LEU 73 HA LEU 73 1.177 20.494 3.081 612 1HB LEU 73 1HB LEU 73 1.570 22.185 1.090 613 2HB LEU 73 2HB LEU 73 1.577 23.367 2.386 614 HG LEU 73 HG LEU 73 3.336 20.962 2.611 615 1HD1 LEU 73 1HD1 LEU 73 3.488 22.292 0.316 616 2HD1 LEU 73 2HD1 LEU 73 4.447 23.384 1.316 617 3HD1 LEU 73 3HD1 LEU 73 4.918 21.692 1.155 618 1HD2 LEU 73 1HD2 LEU 73 2.859 22.984 4.295 619 2HD2 LEU 73 2HD2 LEU 73 4.419 22.169 4.191 620 3HD2 LEU 73 3HD2 LEU 73 4.166 23.700 3.354 621 H GLY 74 H GLY 74 -0.053 23.830 3.412 622 1HA GLY 74 1HA GLY 74 -0.579 23.356 6.240 623 2HA GLY 74 2HA GLY 74 0.675 24.531 5.870 624 H GLY 75 H GLY 75 -0.073 26.521 6.124 625 1HA GLY 75 1HA GLY 75 -1.826 27.874 4.617 626 2HA GLY 75 2HA GLY 75 -2.899 27.089 5.766 627 H THR 76 H THR 76 -0.994 29.781 5.161 628 HA THR 76 HA THR 76 -0.574 30.470 7.955 629 HB THR 76 HB THR 76 -0.044 32.228 5.562 630 HG1 THR 76 HG1 THR 76 1.496 30.112 6.616 631 1HG2 THR 76 1HG2 THR 76 0.158 33.324 7.728 632 2HG2 THR 76 2HG2 THR 76 1.294 32.081 8.252 633 3HG2 THR 76 3HG2 THR 76 1.722 33.167 6.930 634 H GLY 77 H GLY 77 -2.147 31.365 9.104 635 1HA GLY 77 1HA GLY 77 -3.436 33.713 8.653 636 2HA GLY 77 2HA GLY 77 -4.452 32.541 7.829 637 H PHE 78 H PHE 78 -2.918 33.180 10.970 638 HA PHE 78 HA PHE 78 -4.663 31.415 12.387 639 1HB PHE 78 1HB PHE 78 -2.419 33.191 13.029 640 2HB PHE 78 2HB PHE 78 -3.641 33.115 14.295 641 HD1 PHE 78 HD1 PHE 78 -1.478 30.987 12.158 642 HD2 PHE 78 HD2 PHE 78 -3.696 31.322 15.774 643 HE1 PHE 78 HE1 PHE 78 -0.533 28.851 12.931 644 HE2 PHE 78 HE2 PHE 78 -2.755 29.188 16.555 645 HZ PHE 78 HZ PHE 78 -1.171 27.948 15.131 646 H GLN 79 H GLN 79 -6.037 32.200 14.219 647 HA GLN 79 HA GLN 79 -7.202 34.839 13.859 648 1HB GLN 79 1HB GLN 79 -8.386 32.555 12.684 649 2HB GLN 79 2HB GLN 79 -9.377 32.971 14.076 650 1HG GLN 79 1HG GLN 79 -9.515 35.294 13.210 651 2HG GLN 79 2HG GLN 79 -8.660 34.757 11.765 652 1HE2 GLN 79 1HE2 GLN 79 -12.270 34.715 11.045 653 2HE2 GLN 79 2HE2 GLN 79 -11.099 35.897 11.506 Start of MODEL 17 1 1H MET 1 1H MET 1 -18.857 -0.581 4.438 2 2H MET 1 2H MET 1 -19.233 0.840 3.553 3 3H MET 1 3H MET 1 -18.471 -0.485 2.771 4 HA MET 1 HA MET 1 -17.375 1.412 4.710 5 1HB MET 1 1HB MET 1 -16.798 -1.451 4.365 6 2HB MET 1 2HB MET 1 -15.380 -0.418 4.266 7 1HG MET 1 1HG MET 1 -16.099 0.599 6.449 8 2HG MET 1 2HG MET 1 -17.309 -0.680 6.552 9 1HE MET 1 1HE MET 1 -14.499 -0.848 9.070 10 2HE MET 1 2HE MET 1 -13.281 -0.379 7.884 11 3HE MET 1 3HE MET 1 -14.781 0.539 8.017 12 H ASP 2 H ASP 2 -16.475 2.987 3.569 13 HA ASP 2 HA ASP 2 -16.149 2.911 0.769 14 1HB ASP 2 1HB ASP 2 -15.198 4.805 2.907 15 2HB ASP 2 2HB ASP 2 -14.775 5.045 1.214 16 H ARG 3 H ARG 3 -13.793 3.881 0.025 17 HA ARG 3 HA ARG 3 -11.929 1.715 0.698 18 1HB ARG 3 1HB ARG 3 -12.367 3.379 -1.752 19 2HB ARG 3 2HB ARG 3 -10.792 2.648 -1.473 20 1HG ARG 3 1HG ARG 3 -13.061 0.818 -1.158 21 2HG ARG 3 2HG ARG 3 -12.838 1.457 -2.788 22 1HD ARG 3 1HD ARG 3 -11.485 -0.390 -2.877 23 2HD ARG 3 2HD ARG 3 -10.331 0.832 -2.347 24 HE ARG 3 HE ARG 3 -11.661 -0.669 -0.248 25 1HH1 ARG 3 1HH1 ARG 3 -7.815 -1.233 -1.209 26 2HH1 ARG 3 2HH1 ARG 3 -8.838 -0.335 -2.276 27 1HH2 ARG 3 1HH2 ARG 3 -8.653 -2.114 0.725 28 2HH2 ARG 3 2HH2 ARG 3 -10.315 -1.866 1.146 29 H VAL 4 H VAL 4 -11.471 3.019 2.691 30 HA VAL 4 HA VAL 4 -9.219 4.803 2.123 31 HB VAL 4 HB VAL 4 -9.898 6.269 4.034 32 1HG1 VAL 4 1HG1 VAL 4 -10.200 7.025 1.767 33 2HG1 VAL 4 2HG1 VAL 4 -11.727 6.148 1.640 34 3HG1 VAL 4 3HG1 VAL 4 -11.589 7.525 2.734 35 1HG2 VAL 4 1HG2 VAL 4 -11.568 4.457 4.849 36 2HG2 VAL 4 2HG2 VAL 4 -11.983 6.161 5.028 37 3HG2 VAL 4 3HG2 VAL 4 -12.678 5.216 3.710 38 H LEU 5 H LEU 5 -7.481 4.222 3.190 39 HA LEU 5 HA LEU 5 -7.676 2.205 5.253 40 1HB LEU 5 1HB LEU 5 -5.087 2.425 5.105 41 2HB LEU 5 2HB LEU 5 -5.984 1.603 3.857 42 HG LEU 5 HG LEU 5 -5.850 3.589 2.448 43 1HD1 LEU 5 1HD1 LEU 5 -5.633 5.504 3.541 44 2HD1 LEU 5 2HD1 LEU 5 -4.809 4.746 4.904 45 3HD1 LEU 5 3HD1 LEU 5 -3.907 5.161 3.449 46 1HD2 LEU 5 1HD2 LEU 5 -3.036 3.358 3.023 47 2HD2 LEU 5 2HD2 LEU 5 -3.840 1.789 3.060 48 3HD2 LEU 5 3HD2 LEU 5 -3.952 2.803 1.621 49 H SER 6 H SER 6 -7.112 2.385 7.349 50 HA SER 6 HA SER 6 -6.994 5.089 8.411 51 1HB SER 6 1HB SER 6 -7.474 4.089 10.559 52 2HB SER 6 2HB SER 6 -8.556 3.377 9.363 53 HG SER 6 HG SER 6 -6.376 1.882 9.430 54 H ARG 7 H ARG 7 -5.620 4.938 10.687 55 HA ARG 7 HA ARG 7 -2.967 5.247 9.940 56 1HB ARG 7 1HB ARG 7 -3.920 6.195 11.996 57 2HB ARG 7 2HB ARG 7 -4.045 4.581 12.684 58 1HG ARG 7 1HG ARG 7 -2.118 5.682 13.592 59 2HG ARG 7 2HG ARG 7 -1.589 4.367 12.543 60 1HD ARG 7 1HD ARG 7 -1.434 6.167 10.714 61 2HD ARG 7 2HD ARG 7 -1.512 7.323 12.042 62 HE ARG 7 HE ARG 7 0.472 5.578 12.747 63 1HH1 ARG 7 1HH1 ARG 7 1.533 7.908 9.666 64 2HH1 ARG 7 2HH1 ARG 7 -0.144 7.663 10.018 65 1HH2 ARG 7 1HH2 ARG 7 3.137 6.914 10.959 66 2HH2 ARG 7 2HH2 ARG 7 2.681 5.907 12.291 67 H ALA 8 H ALA 8 -4.589 2.418 11.309 68 HA ALA 8 HA ALA 8 -2.235 0.861 11.605 69 1HB ALA 8 1HB ALA 8 -4.800 0.609 12.460 70 2HB ALA 8 2HB ALA 8 -4.733 -0.616 11.192 71 3HB ALA 8 3HB ALA 8 -3.586 -0.669 12.532 72 H ASP 9 H ASP 9 -4.509 1.326 8.968 73 HA ASP 9 HA ASP 9 -3.474 -0.859 7.418 74 1HB ASP 9 1HB ASP 9 -5.164 1.443 6.448 75 2HB ASP 9 2HB ASP 9 -4.971 -0.129 5.683 76 H LYS 10 H LYS 10 -3.319 2.702 7.074 77 HA LYS 10 HA LYS 10 -1.557 2.736 4.901 78 1HB LYS 10 1HB LYS 10 -1.029 5.041 5.563 79 2HB LYS 10 2HB LYS 10 -2.758 4.730 5.604 80 1HG LYS 10 1HG LYS 10 -2.903 5.132 7.795 81 2HG LYS 10 2HG LYS 10 -1.406 4.273 8.154 82 1HD LYS 10 1HD LYS 10 -0.929 6.488 8.709 83 2HD LYS 10 2HD LYS 10 -0.229 6.298 7.101 84 1HE LYS 10 1HE LYS 10 -1.389 8.114 6.528 85 2HE LYS 10 2HE LYS 10 -2.822 7.090 6.587 86 1HZ LYS 10 1HZ LYS 10 -2.393 7.824 9.186 87 2HZ LYS 10 2HZ LYS 10 -2.057 9.230 8.311 88 3HZ LYS 10 3HZ LYS 10 -3.558 8.470 8.144 89 H GLU 11 H GLU 11 -0.995 2.375 8.332 90 HA GLU 11 HA GLU 11 1.835 2.694 8.243 91 1HB GLU 11 1HB GLU 11 -0.125 1.613 10.227 92 2HB GLU 11 2HB GLU 11 1.576 1.223 10.432 93 1HG GLU 11 1HG GLU 11 1.143 4.046 9.923 94 2HG GLU 11 2HG GLU 11 0.290 3.474 11.356 95 H ARG 12 H ARG 12 -0.401 0.046 7.829 96 HA ARG 12 HA ARG 12 1.417 -2.098 7.914 97 1HB ARG 12 1HB ARG 12 -1.212 -2.021 7.822 98 2HB ARG 12 2HB ARG 12 -0.957 -2.116 6.087 99 1HG ARG 12 1HG ARG 12 0.186 -4.088 8.047 100 2HG ARG 12 2HG ARG 12 -1.363 -4.300 7.228 101 1HD ARG 12 1HD ARG 12 0.474 -3.658 5.215 102 2HD ARG 12 2HD ARG 12 1.303 -4.806 6.267 103 HE ARG 12 HE ARG 12 -0.704 -5.421 4.414 104 1HH1 ARG 12 1HH1 ARG 12 -0.580 -7.709 7.701 105 2HH1 ARG 12 2HH1 ARG 12 0.189 -6.159 7.710 106 1HH2 ARG 12 1HH2 ARG 12 -1.656 -8.451 5.825 107 2HH2 ARG 12 2HH2 ARG 12 -1.710 -7.462 4.403 108 H LEU 13 H LEU 13 0.453 0.138 5.400 109 HA LEU 13 HA LEU 13 1.643 -1.162 3.200 110 1HB LEU 13 1HB LEU 13 0.021 0.562 2.847 111 2HB LEU 13 2HB LEU 13 0.963 1.721 3.757 112 HG LEU 13 HG LEU 13 2.720 1.132 1.784 113 1HD1 LEU 13 1HD1 LEU 13 0.334 1.389 0.106 114 2HD1 LEU 13 2HD1 LEU 13 1.803 0.445 -0.142 115 3HD1 LEU 13 3HD1 LEU 13 0.515 -0.182 0.886 116 1HD2 LEU 13 1HD2 LEU 13 0.623 3.146 1.166 117 2HD2 LEU 13 2HD2 LEU 13 1.534 3.320 2.669 118 3HD2 LEU 13 3HD2 LEU 13 2.382 3.291 1.123 119 H LEU 14 H LEU 14 2.826 1.077 5.626 120 HA LEU 14 HA LEU 14 5.305 1.692 4.443 121 1HB LEU 14 1HB LEU 14 4.134 1.859 7.163 122 2HB LEU 14 2HB LEU 14 5.883 1.931 7.048 123 HG LEU 14 HG LEU 14 3.934 3.793 5.695 124 1HD1 LEU 14 1HD1 LEU 14 4.174 4.094 8.137 125 2HD1 LEU 14 2HD1 LEU 14 5.908 4.327 7.906 126 3HD1 LEU 14 3HD1 LEU 14 4.763 5.469 7.204 127 1HD2 LEU 14 1HD2 LEU 14 6.667 4.673 5.715 128 2HD2 LEU 14 2HD2 LEU 14 6.535 3.108 4.916 129 3HD2 LEU 14 3HD2 LEU 14 5.566 4.468 4.352 130 H GLU 15 H GLU 15 4.301 -0.916 6.611 131 HA GLU 15 HA GLU 15 6.811 -1.991 7.184 132 1HB GLU 15 1HB GLU 15 4.108 -3.313 6.935 133 2HB GLU 15 2HB GLU 15 5.542 -4.156 7.505 134 1HG GLU 15 1HG GLU 15 5.732 -2.639 9.376 135 2HG GLU 15 2HG GLU 15 4.362 -1.702 8.784 136 H LEU 16 H LEU 16 4.515 -2.997 4.646 137 HA LEU 16 HA LEU 16 6.283 -4.822 3.413 138 1HB LEU 16 1HB LEU 16 3.977 -3.348 2.149 139 2HB LEU 16 2HB LEU 16 4.718 -4.822 1.558 140 HG LEU 16 HG LEU 16 3.743 -5.098 4.291 141 1HD1 LEU 16 1HD1 LEU 16 1.330 -5.203 3.515 142 2HD1 LEU 16 2HD1 LEU 16 2.013 -3.595 3.756 143 3HD1 LEU 16 3HD1 LEU 16 1.843 -4.246 2.124 144 1HD2 LEU 16 1HD2 LEU 16 2.957 -7.165 3.499 145 2HD2 LEU 16 2HD2 LEU 16 2.898 -6.600 1.831 146 3HD2 LEU 16 3HD2 LEU 16 4.454 -6.876 2.613 147 H LEU 17 H LEU 17 6.194 -1.427 3.423 148 HA LEU 17 HA LEU 17 7.506 -1.115 0.853 149 1HB LEU 17 1HB LEU 17 6.279 0.674 2.861 150 2HB LEU 17 2HB LEU 17 7.601 1.344 1.928 151 HG LEU 17 HG LEU 17 5.158 1.684 1.124 152 1HD1 LEU 17 1HD1 LEU 17 7.300 2.243 -0.061 153 2HD1 LEU 17 2HD1 LEU 17 7.159 0.688 -0.881 154 3HD1 LEU 17 3HD1 LEU 17 5.915 1.918 -1.100 155 1HD2 LEU 17 1HD2 LEU 17 5.434 -0.692 -0.552 156 2HD2 LEU 17 2HD2 LEU 17 5.117 -1.055 1.144 157 3HD2 LEU 17 3HD2 LEU 17 4.010 -0.021 0.243 158 H LYS 18 H LYS 18 8.481 -1.748 4.027 159 HA LYS 18 HA LYS 18 10.504 -1.651 5.087 160 1HB LYS 18 1HB LYS 18 11.048 -2.148 2.271 161 2HB LYS 18 2HB LYS 18 12.374 -1.310 3.060 162 1HG LYS 18 1HG LYS 18 12.904 -3.559 3.310 163 2HG LYS 18 2HG LYS 18 12.194 -3.123 4.866 164 1HD LYS 18 1HD LYS 18 10.169 -4.002 2.997 165 2HD LYS 18 2HD LYS 18 11.428 -5.221 3.195 166 1HE LYS 18 1HE LYS 18 10.447 -3.943 5.669 167 2HE LYS 18 2HE LYS 18 9.306 -4.992 4.831 168 1HZ LYS 18 1HZ LYS 18 12.007 -5.726 5.817 169 2HZ LYS 18 2HZ LYS 18 10.522 -6.284 6.403 170 3HZ LYS 18 3HZ LYS 18 11.044 -6.734 4.859 171 H LEU 19 H LEU 19 9.051 0.826 4.133 172 HA LEU 19 HA LEU 19 11.242 2.770 4.258 173 1HB LEU 19 1HB LEU 19 9.825 2.858 2.256 174 2HB LEU 19 2HB LEU 19 8.403 3.042 3.261 175 HG LEU 19 HG LEU 19 10.410 5.099 3.763 176 1HD1 LEU 19 1HD1 LEU 19 9.295 6.045 1.403 177 2HD1 LEU 19 2HD1 LEU 19 10.973 5.568 1.661 178 3HD1 LEU 19 3HD1 LEU 19 9.815 4.404 1.018 179 1HD2 LEU 19 1HD2 LEU 19 7.489 4.805 3.436 180 2HD2 LEU 19 2HD2 LEU 19 8.411 5.698 4.643 181 3HD2 LEU 19 3HD2 LEU 19 8.169 6.380 3.034 182 HA PRO 20 HA PRO 20 10.003 3.160 8.587 183 1HB PRO 20 1HB PRO 20 11.447 5.731 8.119 184 2HB PRO 20 2HB PRO 20 11.581 4.595 9.464 185 1HG PRO 20 1HG PRO 20 13.418 4.668 7.527 186 2HG PRO 20 2HG PRO 20 12.925 3.139 8.278 187 1HD PRO 20 1HD PRO 20 12.308 4.209 5.586 188 2HD PRO 20 2HD PRO 20 12.405 2.526 6.139 189 H ARG 21 H ARG 21 8.906 4.777 9.912 190 HA ARG 21 HA ARG 21 6.807 6.109 8.400 191 1HB ARG 21 1HB ARG 21 7.093 5.794 11.392 192 2HB ARG 21 2HB ARG 21 5.653 6.310 10.526 193 1HG ARG 21 1HG ARG 21 5.103 4.203 9.900 194 2HG ARG 21 2HG ARG 21 6.784 3.673 9.801 195 1HD ARG 21 1HD ARG 21 6.728 3.982 12.393 196 2HD ARG 21 2HD ARG 21 4.983 3.859 12.178 197 HE ARG 21 HE ARG 21 6.069 1.722 10.816 198 1HH1 ARG 21 1HH1 ARG 21 6.184 1.298 14.797 199 2HH1 ARG 21 2HH1 ARG 21 6.048 2.881 14.109 200 1HH2 ARG 21 1HH2 ARG 21 6.298 -0.541 13.442 201 2HH2 ARG 21 2HH2 ARG 21 6.247 -0.360 11.721 202 H GLN 22 H GLN 22 9.790 6.961 9.523 203 HA GLN 22 HA GLN 22 9.172 9.554 10.601 204 1HB GLN 22 1HB GLN 22 11.156 8.170 11.256 205 2HB GLN 22 2HB GLN 22 11.837 8.490 9.668 206 1HG GLN 22 1HG GLN 22 11.512 10.980 10.310 207 2HG GLN 22 2HG GLN 22 11.426 10.357 11.957 208 1HE2 GLN 22 1HE2 GLN 22 14.946 11.140 10.518 209 2HE2 GLN 22 2HE2 GLN 22 13.441 11.878 10.107 210 H LEU 23 H LEU 23 10.028 8.234 7.505 211 HA LEU 23 HA LEU 23 10.207 10.934 6.381 212 1HB LEU 23 1HB LEU 23 11.381 10.034 4.529 213 2HB LEU 23 2HB LEU 23 12.098 9.367 5.977 214 HG LEU 23 HG LEU 23 12.033 7.640 4.343 215 1HD1 LEU 23 1HD1 LEU 23 9.681 7.055 6.113 216 2HD1 LEU 23 2HD1 LEU 23 10.837 5.911 5.429 217 3HD1 LEU 23 3HD1 LEU 23 11.347 7.039 6.688 218 1HD2 LEU 23 1HD2 LEU 23 9.085 7.734 4.066 219 2HD2 LEU 23 2HD2 LEU 23 10.065 8.876 3.145 220 3HD2 LEU 23 3HD2 LEU 23 10.310 7.144 2.948 221 H TRP 24 H TRP 24 7.795 9.062 7.054 222 HA TRP 24 HA TRP 24 6.426 8.411 4.719 223 1HB TRP 24 1HB TRP 24 5.624 7.605 6.818 224 2HB TRP 24 2HB TRP 24 5.455 9.234 7.458 225 HD1 TRP 24 HD1 TRP 24 3.278 10.620 6.724 226 HE1 TRP 24 HE1 TRP 24 1.003 9.860 5.788 227 HE3 TRP 24 HE3 TRP 24 4.541 5.893 5.267 228 HZ2 TRP 24 HZ2 TRP 24 -0.110 7.547 4.591 229 HZ3 TRP 24 HZ3 TRP 24 2.819 4.470 4.234 230 HH2 TRP 24 HH2 TRP 24 0.543 5.285 3.904 231 H GLY 25 H GLY 25 6.464 9.921 3.095 232 1HA GLY 25 1HA GLY 25 4.525 11.799 2.810 233 2HA GLY 25 2HA GLY 25 5.820 12.689 3.597 234 H ASP 26 H ASP 26 7.887 11.063 2.221 235 HA ASP 26 HA ASP 26 8.043 12.675 -0.165 236 1HB ASP 26 1HB ASP 26 9.956 11.933 1.482 237 2HB ASP 26 2HB ASP 26 10.001 10.499 0.461 238 H PHE 27 H PHE 27 6.518 11.959 -1.622 239 HA PHE 27 HA PHE 27 5.747 9.405 -2.234 240 1HB PHE 27 1HB PHE 27 4.753 11.480 -3.190 241 2HB PHE 27 2HB PHE 27 6.138 11.599 -4.274 242 HD1 PHE 27 HD1 PHE 27 5.621 11.005 -6.425 243 HD2 PHE 27 HD2 PHE 27 3.847 8.849 -3.213 244 HE1 PHE 27 HE1 PHE 27 4.485 9.538 -8.041 245 HE2 PHE 27 HE2 PHE 27 2.709 7.378 -4.823 246 HZ PHE 27 HZ PHE 27 3.027 7.722 -7.241 247 H GLY 28 H GLY 28 8.642 11.083 -3.297 248 1HA GLY 28 1HA GLY 28 9.433 9.261 -5.295 249 2HA GLY 28 2HA GLY 28 10.494 10.371 -4.445 250 H ARG 29 H ARG 29 10.038 9.304 -1.813 251 HA ARG 29 HA ARG 29 11.882 7.099 -1.957 252 1HB ARG 29 1HB ARG 29 10.660 8.684 0.274 253 2HB ARG 29 2HB ARG 29 11.509 7.183 0.620 254 1HG ARG 29 1HG ARG 29 13.549 8.031 -0.212 255 2HG ARG 29 2HG ARG 29 12.754 9.422 -0.948 256 1HD ARG 29 1HD ARG 29 13.491 10.458 0.923 257 2HD ARG 29 2HD ARG 29 12.006 9.790 1.598 258 HE ARG 29 HE ARG 29 14.097 7.926 1.888 259 1HH1 ARG 29 1HH1 ARG 29 13.768 10.757 4.701 260 2HH1 ARG 29 2HH1 ARG 29 13.021 10.993 3.157 261 1HH2 ARG 29 1HH2 ARG 29 14.937 8.840 5.134 262 2HH2 ARG 29 2HH2 ARG 29 15.080 7.614 3.917 263 H MET 30 H MET 30 8.510 7.517 -0.912 264 HA MET 30 HA MET 30 8.167 4.869 -0.007 265 1HB MET 30 1HB MET 30 5.716 5.343 -0.256 266 2HB MET 30 2HB MET 30 6.603 6.498 0.728 267 1HG MET 30 1HG MET 30 6.655 8.061 -1.128 268 2HG MET 30 2HG MET 30 5.811 6.898 -2.146 269 1HE MET 30 1HE MET 30 4.174 9.048 1.523 270 2HE MET 30 2HE MET 30 4.477 7.327 1.759 271 3HE MET 30 3HE MET 30 5.794 8.396 1.277 272 H GLN 31 H GLN 31 7.347 6.369 -3.149 273 HA GLN 31 HA GLN 31 6.310 3.996 -4.275 274 1HB GLN 31 1HB GLN 31 6.024 6.373 -5.157 275 2HB GLN 31 2HB GLN 31 7.629 6.198 -5.857 276 1HG GLN 31 1HG GLN 31 6.864 4.290 -7.165 277 2HG GLN 31 2HG GLN 31 5.264 4.430 -6.444 278 1HE2 GLN 31 1HE2 GLN 31 6.426 7.471 -8.929 279 2HE2 GLN 31 2HE2 GLN 31 7.540 6.790 -7.799 280 H GLN 32 H GLN 32 9.549 5.316 -4.025 281 HA GLN 32 HA GLN 32 10.857 3.653 -5.863 282 1HB GLN 32 1HB GLN 32 11.621 5.620 -4.070 283 2HB GLN 32 2HB GLN 32 12.402 4.182 -3.437 284 1HG GLN 32 1HG GLN 32 12.628 4.852 -6.335 285 2HG GLN 32 2HG GLN 32 13.639 5.675 -5.148 286 1HE2 GLN 32 1HE2 GLN 32 15.944 3.122 -5.606 287 2HE2 GLN 32 2HE2 GLN 32 15.558 4.798 -5.775 288 H ALA 33 H ALA 33 10.310 3.265 -2.384 289 HA ALA 33 HA ALA 33 11.491 0.717 -2.156 290 1HB ALA 33 1HB ALA 33 11.227 1.314 -0.028 291 2HB ALA 33 2HB ALA 33 10.048 2.549 -0.464 292 3HB ALA 33 3HB ALA 33 9.523 0.891 -0.182 293 H TYR 34 H TYR 34 8.152 1.764 -2.726 294 HA TYR 34 HA TYR 34 6.826 -0.639 -2.529 295 1HB TYR 34 1HB TYR 34 5.725 1.552 -2.943 296 2HB TYR 34 2HB TYR 34 6.293 1.495 -4.608 297 HD1 TYR 34 HD1 TYR 34 3.630 0.652 -2.411 298 HD2 TYR 34 HD2 TYR 34 5.594 -0.585 -5.985 299 HE1 TYR 34 HE1 TYR 34 1.652 -0.664 -3.049 300 HE2 TYR 34 HE2 TYR 34 3.612 -1.887 -6.631 301 HH TYR 34 HH TYR 34 0.758 -1.499 -5.651 302 H LYS 35 H LYS 35 8.639 0.640 -5.281 303 HA LYS 35 HA LYS 35 8.019 -1.476 -7.060 304 1HB LYS 35 1HB LYS 35 10.047 0.715 -6.983 305 2HB LYS 35 2HB LYS 35 10.281 -0.606 -8.122 306 1HG LYS 35 1HG LYS 35 7.729 0.969 -7.966 307 2HG LYS 35 2HG LYS 35 9.085 1.432 -8.997 308 1HD LYS 35 1HD LYS 35 8.118 -1.369 -9.170 309 2HD LYS 35 2HD LYS 35 7.098 -0.110 -9.868 310 1HE LYS 35 1HE LYS 35 8.445 -0.720 -11.652 311 2HE LYS 35 2HE LYS 35 9.277 0.693 -11.005 312 1HZ LYS 35 1HZ LYS 35 10.373 -1.771 -11.447 313 2HZ LYS 35 2HZ LYS 35 11.063 -0.520 -10.542 314 3HZ LYS 35 3HZ LYS 35 10.161 -1.724 -9.769 315 H GLN 36 H GLN 36 10.704 -0.888 -4.833 316 HA GLN 36 HA GLN 36 12.294 -3.077 -5.568 317 1HB GLN 36 1HB GLN 36 13.037 -1.192 -4.121 318 2HB GLN 36 2HB GLN 36 12.041 -1.836 -2.822 319 1HG GLN 36 1HG GLN 36 14.031 -2.741 -2.234 320 2HG GLN 36 2HG GLN 36 13.454 -4.015 -3.307 321 1HE2 GLN 36 1HE2 GLN 36 16.699 -1.776 -4.253 322 2HE2 GLN 36 2HE2 GLN 36 15.702 -1.411 -2.891 323 H GLN 37 H GLN 37 9.541 -2.799 -3.416 324 HA GLN 37 HA GLN 37 9.816 -5.541 -2.507 325 1HB GLN 37 1HB GLN 37 7.560 -3.626 -1.937 326 2HB GLN 37 2HB GLN 37 8.004 -5.065 -1.025 327 1HG GLN 37 1HG GLN 37 9.817 -2.691 -1.323 328 2HG GLN 37 2HG GLN 37 8.665 -2.861 -0.004 329 1HE2 GLN 37 1HE2 GLN 37 12.228 -4.363 0.467 330 2HE2 GLN 37 2HE2 GLN 37 11.764 -3.047 -0.551 331 H SER 38 H SER 38 8.177 -3.791 -4.963 332 HA SER 38 HA SER 38 5.996 -5.584 -5.349 333 1HB SER 38 1HB SER 38 7.101 -3.214 -6.697 334 2HB SER 38 2HB SER 38 6.342 -4.374 -7.786 335 HG SER 38 HG SER 38 4.539 -4.301 -6.212 336 H LEU 39 H LEU 39 9.312 -5.495 -6.397 337 HA LEU 39 HA LEU 39 8.928 -7.470 -8.468 338 1HB LEU 39 1HB LEU 39 11.355 -6.109 -7.327 339 2HB LEU 39 2HB LEU 39 11.476 -7.394 -8.513 340 HG LEU 39 HG LEU 39 10.022 -4.781 -8.938 341 1HD1 LEU 39 1HD1 LEU 39 11.851 -3.949 -10.020 342 2HD1 LEU 39 2HD1 LEU 39 12.645 -4.909 -8.773 343 3HD1 LEU 39 3HD1 LEU 39 12.489 -5.546 -10.411 344 1HD2 LEU 39 1HD2 LEU 39 10.293 -5.667 -11.380 345 2HD2 LEU 39 2HD2 LEU 39 10.395 -7.239 -10.588 346 3HD2 LEU 39 3HD2 LEU 39 8.961 -6.234 -10.373 347 H LEU 40 H LEU 40 9.815 -7.436 -5.096 348 HA LEU 40 HA LEU 40 10.770 -10.184 -5.214 349 1HB LEU 40 1HB LEU 40 11.259 -9.950 -2.842 350 2HB LEU 40 2HB LEU 40 11.966 -8.638 -3.764 351 HG LEU 40 HG LEU 40 9.743 -7.390 -3.045 352 1HD1 LEU 40 1HD1 LEU 40 8.939 -8.015 -0.890 353 2HD1 LEU 40 2HD1 LEU 40 8.855 -9.443 -1.918 354 3HD1 LEU 40 3HD1 LEU 40 10.155 -9.282 -0.740 355 1HD2 LEU 40 1HD2 LEU 40 11.664 -6.335 -2.401 356 2HD2 LEU 40 2HD2 LEU 40 11.078 -6.869 -0.827 357 3HD2 LEU 40 3HD2 LEU 40 12.339 -7.782 -1.654 358 H LEU 41 H LEU 41 7.864 -8.476 -4.619 359 HA LEU 41 HA LEU 41 6.655 -10.667 -3.130 360 1HB LEU 41 1HB LEU 41 5.647 -7.964 -3.998 361 2HB LEU 41 2HB LEU 41 4.608 -9.162 -3.251 362 HG LEU 41 HG LEU 41 7.098 -8.069 -1.943 363 1HD1 LEU 41 1HD1 LEU 41 4.359 -7.303 -1.072 364 2HD1 LEU 41 2HD1 LEU 41 5.887 -6.440 -0.894 365 3HD1 LEU 41 3HD1 LEU 41 5.071 -6.474 -2.457 366 1HD2 LEU 41 1HD2 LEU 41 6.311 -10.295 -1.194 367 2HD2 LEU 41 2HD2 LEU 41 6.215 -9.061 0.063 368 3HD2 LEU 41 3HD2 LEU 41 4.754 -9.571 -0.786 369 H HIS 42 H HIS 42 7.462 -10.453 -6.175 370 HA HIS 42 HA HIS 42 4.942 -11.134 -7.436 371 1HB HIS 42 1HB HIS 42 6.822 -9.717 -8.484 372 2HB HIS 42 2HB HIS 42 7.676 -11.239 -8.709 373 HD1 HIS 42 HD1 HIS 42 7.007 -12.651 -10.672 374 HD2 HIS 42 HD2 HIS 42 4.402 -9.489 -10.024 375 HE1 HIS 42 HE1 HIS 42 5.473 -12.638 -12.659 376 HE2 HIS 42 HE2 HIS 42 4.000 -10.623 -12.314 377 HA PRO 43 HA PRO 43 5.349 -15.485 -6.789 378 1HB PRO 43 1HB PRO 43 4.073 -16.398 -9.046 379 2HB PRO 43 2HB PRO 43 3.248 -15.821 -7.595 380 1HG PRO 43 1HG PRO 43 3.801 -14.390 -10.158 381 2HG PRO 43 2HG PRO 43 2.345 -14.357 -9.145 382 1HD PRO 43 1HD PRO 43 4.151 -12.360 -9.122 383 2HD PRO 43 2HD PRO 43 3.264 -12.835 -7.663 384 H ASP 44 H ASP 44 6.833 -13.877 -9.391 385 HA ASP 44 HA ASP 44 8.097 -16.286 -10.438 386 1HB ASP 44 1HB ASP 44 7.292 -14.332 -11.899 387 2HB ASP 44 2HB ASP 44 8.700 -13.461 -11.298 388 H LYS 45 H LYS 45 8.731 -13.649 -8.291 389 HA LYS 45 HA LYS 45 11.575 -14.375 -8.150 390 1HB LYS 45 1HB LYS 45 10.069 -11.914 -7.278 391 2HB LYS 45 2HB LYS 45 11.723 -12.234 -6.772 392 1HG LYS 45 1HG LYS 45 11.807 -10.759 -8.629 393 2HG LYS 45 2HG LYS 45 12.358 -12.340 -9.184 394 1HD LYS 45 1HD LYS 45 10.205 -12.783 -10.186 395 2HD LYS 45 2HD LYS 45 9.555 -11.279 -9.531 396 1HE LYS 45 1HE LYS 45 11.991 -11.048 -11.184 397 2HE LYS 45 2HE LYS 45 10.517 -11.521 -12.028 398 1HZ LYS 45 1HZ LYS 45 10.813 -9.119 -12.007 399 2HZ LYS 45 2HZ LYS 45 9.420 -9.563 -11.155 400 3HZ LYS 45 3HZ LYS 45 10.819 -9.115 -10.315 401 H GLY 46 H GLY 46 9.421 -15.973 -6.990 402 1HA GLY 46 1HA GLY 46 9.048 -17.161 -5.062 403 2HA GLY 46 2HA GLY 46 10.579 -16.524 -4.481 404 H GLY 47 H GLY 47 7.174 -15.606 -4.937 405 1HA GLY 47 1HA GLY 47 7.171 -14.445 -2.267 406 2HA GLY 47 2HA GLY 47 6.863 -13.327 -3.588 407 H SER 48 H SER 48 4.931 -13.480 -1.787 408 HA SER 48 HA SER 48 2.976 -15.475 -2.601 409 1HB SER 48 1HB SER 48 3.324 -13.659 -0.308 410 2HB SER 48 2HB SER 48 1.654 -13.858 -0.839 411 HG SER 48 HG SER 48 1.675 -15.744 0.059 412 H HIS 49 H HIS 49 1.014 -15.022 -3.575 413 HA HIS 49 HA HIS 49 0.991 -12.669 -5.250 414 1HB HIS 49 1HB HIS 49 -1.020 -13.695 -6.254 415 2HB HIS 49 2HB HIS 49 0.334 -14.818 -6.201 416 HD1 HIS 49 HD1 HIS 49 0.203 -16.710 -4.339 417 HD2 HIS 49 HD2 HIS 49 -3.279 -14.518 -4.922 418 HE1 HIS 49 HE1 HIS 49 -1.622 -18.042 -3.236 419 HE2 HIS 49 HE2 HIS 49 -3.703 -16.652 -3.524 420 H ALA 50 H ALA 50 -0.896 -13.985 -2.574 421 HA ALA 50 HA ALA 50 -2.986 -12.136 -2.565 422 1HB ALA 50 1HB ALA 50 -3.193 -14.091 -1.242 423 2HB ALA 50 2HB ALA 50 -1.732 -13.712 -0.329 424 3HB ALA 50 3HB ALA 50 -3.181 -12.726 -0.127 425 H LEU 51 H LEU 51 0.319 -11.708 -1.746 426 HA LEU 51 HA LEU 51 -0.123 -9.442 -0.013 427 1HB LEU 51 1HB LEU 51 2.186 -11.009 -0.958 428 2HB LEU 51 2HB LEU 51 2.510 -9.310 -0.680 429 HG LEU 51 HG LEU 51 1.395 -11.246 1.352 430 1HD1 LEU 51 1HD1 LEU 51 3.571 -10.840 2.485 431 2HD1 LEU 51 2HD1 LEU 51 3.709 -11.708 0.956 432 3HD1 LEU 51 3HD1 LEU 51 4.116 -9.993 1.037 433 1HD2 LEU 51 1HD2 LEU 51 0.809 -9.510 2.604 434 2HD2 LEU 51 2HD2 LEU 51 2.405 -8.782 2.424 435 3HD2 LEU 51 3HD2 LEU 51 1.147 -8.454 1.233 436 H MET 52 H MET 52 1.150 -9.961 -3.292 437 HA MET 52 HA MET 52 1.728 -7.338 -3.958 438 1HB MET 52 1HB MET 52 1.690 -9.768 -5.291 439 2HB MET 52 2HB MET 52 0.526 -8.794 -6.179 440 1HG MET 52 1HG MET 52 3.357 -7.977 -5.572 441 2HG MET 52 2HG MET 52 2.801 -8.661 -7.098 442 1HE MET 52 1HE MET 52 2.656 -4.402 -5.688 443 2HE MET 52 2HE MET 52 1.684 -5.464 -4.670 444 3HE MET 52 3HE MET 52 3.390 -5.817 -4.931 445 H GLN 53 H GLN 53 -1.372 -8.964 -3.834 446 HA GLN 53 HA GLN 53 -2.749 -6.754 -5.100 447 1HB GLN 53 1HB GLN 53 -4.791 -8.052 -4.673 448 2HB GLN 53 2HB GLN 53 -3.567 -9.017 -5.489 449 1HG GLN 53 1HG GLN 53 -3.680 -10.540 -3.897 450 2HG GLN 53 2HG GLN 53 -3.236 -9.337 -2.689 451 1HE2 GLN 53 1HE2 GLN 53 -6.600 -8.679 -1.714 452 2HE2 GLN 53 2HE2 GLN 53 -5.074 -7.912 -1.976 453 H GLU 54 H GLU 54 -2.100 -7.943 -1.877 454 HA GLU 54 HA GLU 54 -4.012 -6.320 -0.530 455 1HB GLU 54 1HB GLU 54 -2.386 -8.394 0.210 456 2HB GLU 54 2HB GLU 54 -1.581 -7.029 0.970 457 1HG GLU 54 1HG GLU 54 -3.003 -7.634 2.635 458 2HG GLU 54 2HG GLU 54 -4.013 -6.468 1.784 459 H LEU 55 H LEU 55 -0.569 -5.956 -1.275 460 HA LEU 55 HA LEU 55 -0.261 -3.485 0.087 461 1HB LEU 55 1HB LEU 55 1.672 -4.804 -0.298 462 2HB LEU 55 2HB LEU 55 1.345 -4.912 -2.016 463 HG LEU 55 HG LEU 55 1.684 -2.312 -1.955 464 1HD1 LEU 55 1HD1 LEU 55 3.715 -2.741 0.091 465 2HD1 LEU 55 2HD1 LEU 55 2.608 -1.388 -0.145 466 3HD1 LEU 55 3HD1 LEU 55 2.068 -2.830 0.714 467 1HD2 LEU 55 1HD2 LEU 55 3.803 -2.659 -2.786 468 2HD2 LEU 55 2HD2 LEU 55 4.175 -3.915 -1.606 469 3HD2 LEU 55 3HD2 LEU 55 3.090 -4.264 -2.952 470 H ASN 56 H ASN 56 -1.004 -4.377 -3.250 471 HA ASN 56 HA ASN 56 -0.795 -1.829 -4.401 472 1HB ASN 56 1HB ASN 56 -1.843 -4.425 -5.164 473 2HB ASN 56 2HB ASN 56 -2.867 -3.125 -5.769 474 1HD2 ASN 56 1HD2 ASN 56 0.711 -3.899 -7.427 475 2HD2 ASN 56 2HD2 ASN 56 0.064 -4.814 -6.113 476 H SER 57 H SER 57 -3.383 -3.379 -2.613 477 HA SER 57 HA SER 57 -5.387 -1.449 -3.199 478 1HB SER 57 1HB SER 57 -5.435 -3.016 -0.650 479 2HB SER 57 2HB SER 57 -6.751 -2.644 -1.762 480 HG SER 57 HG SER 57 -5.466 -4.082 -3.257 481 H LEU 58 H LEU 58 -2.807 -1.640 -0.874 482 HA LEU 58 HA LEU 58 -3.858 0.526 0.739 483 1HB LEU 58 1HB LEU 58 -1.401 -1.187 0.864 484 2HB LEU 58 2HB LEU 58 -1.526 0.268 1.832 485 HG LEU 58 HG LEU 58 -3.831 -1.547 2.060 486 1HD1 LEU 58 1HD1 LEU 58 -1.590 -2.474 3.697 487 2HD1 LEU 58 2HD1 LEU 58 -2.841 -3.391 2.856 488 3HD1 LEU 58 3HD1 LEU 58 -1.422 -2.821 1.978 489 1HD2 LEU 58 1HD2 LEU 58 -2.388 0.431 3.620 490 2HD2 LEU 58 2HD2 LEU 58 -4.054 -0.123 3.766 491 3HD2 LEU 58 3HD2 LEU 58 -2.755 -1.017 4.556 492 H TRP 59 H TRP 59 -1.558 0.061 -1.845 493 HA TRP 59 HA TRP 59 -0.456 2.728 -1.521 494 1HB TRP 59 1HB TRP 59 1.118 1.010 -2.112 495 2HB TRP 59 2HB TRP 59 0.119 0.483 -3.458 496 HD1 TRP 59 HD1 TRP 59 0.685 1.459 -5.755 497 HE1 TRP 59 HE1 TRP 59 2.225 3.326 -6.625 498 HE3 TRP 59 HE3 TRP 59 2.116 3.505 -1.280 499 HZ2 TRP 59 HZ2 TRP 59 3.832 5.382 -5.567 500 HZ3 TRP 59 HZ3 TRP 59 3.666 5.414 -1.310 501 HH2 TRP 59 HH2 TRP 59 4.503 6.331 -3.408 502 H GLY 60 H GLY 60 -2.990 1.144 -3.189 503 1HA GLY 60 1HA GLY 60 -3.145 2.938 -5.424 504 2HA GLY 60 2HA GLY 60 -4.374 1.790 -4.925 505 H THR 61 H THR 61 -5.433 2.458 -2.700 506 HA THR 61 HA THR 61 -6.892 4.802 -3.094 507 HB THR 61 HB THR 61 -7.036 2.773 -1.296 508 HG1 THR 61 HG1 THR 61 -8.902 3.715 -1.117 509 1HG2 THR 61 1HG2 THR 61 -5.381 3.478 0.236 510 2HG2 THR 61 2HG2 THR 61 -6.058 5.108 0.295 511 3HG2 THR 61 3HG2 THR 61 -6.967 3.751 0.956 512 H PHE 62 H PHE 62 -4.143 4.111 -1.071 513 HA PHE 62 HA PHE 62 -3.540 6.493 0.129 514 1HB PHE 62 1HB PHE 62 -2.253 4.432 0.429 515 2HB PHE 62 2HB PHE 62 -1.668 4.536 -1.228 516 HD1 PHE 62 HD1 PHE 62 0.631 4.424 -0.604 517 HD2 PHE 62 HD2 PHE 62 -1.896 7.484 0.951 518 HE1 PHE 62 HE1 PHE 62 2.604 5.652 0.194 519 HE2 PHE 62 HE2 PHE 62 0.081 8.716 1.743 520 HZ PHE 62 HZ PHE 62 2.331 7.796 1.359 521 H LYS 63 H LYS 63 -2.520 5.405 -3.058 522 HA LYS 63 HA LYS 63 -1.204 7.691 -3.941 523 1HB LYS 63 1HB LYS 63 -1.987 5.179 -4.957 524 2HB LYS 63 2HB LYS 63 -2.590 6.364 -6.087 525 1HG LYS 63 1HG LYS 63 -0.337 7.292 -6.315 526 2HG LYS 63 2HG LYS 63 0.262 6.090 -5.172 527 1HD LYS 63 1HD LYS 63 -0.816 5.668 -7.945 528 2HD LYS 63 2HD LYS 63 0.762 5.218 -7.301 529 1HE LYS 63 1HE LYS 63 -0.459 3.631 -5.752 530 2HE LYS 63 2HE LYS 63 -1.911 3.965 -6.692 531 1HZ LYS 63 1HZ LYS 63 0.611 2.773 -7.711 532 2HZ LYS 63 2HZ LYS 63 -0.872 1.982 -7.509 533 3HZ LYS 63 3HZ LYS 63 -0.712 3.193 -8.679 534 H THR 64 H THR 64 -4.639 6.788 -4.193 535 HA THR 64 HA THR 64 -5.556 8.795 -5.849 536 HB THR 64 HB THR 64 -6.924 7.740 -3.362 537 HG1 THR 64 HG1 THR 64 -6.559 6.027 -4.667 538 1HG2 THR 64 1HG2 THR 64 -7.798 9.840 -4.797 539 2HG2 THR 64 2HG2 THR 64 -8.525 8.505 -5.694 540 3HG2 THR 64 3HG2 THR 64 -8.852 8.692 -3.970 541 H GLU 65 H GLU 65 -4.664 8.900 -2.477 542 HA GLU 65 HA GLU 65 -5.400 11.689 -2.185 543 1HB GLU 65 1HB GLU 65 -3.769 10.103 -0.214 544 2HB GLU 65 2HB GLU 65 -4.832 11.468 0.092 545 1HG GLU 65 1HG GLU 65 -6.089 9.035 -1.019 546 2HG GLU 65 2HG GLU 65 -5.492 8.941 0.635 547 H VAL 66 H VAL 66 -2.602 9.704 -2.811 548 HA VAL 66 HA VAL 66 -0.554 11.439 -2.199 549 HB VAL 66 HB VAL 66 -0.683 9.377 -4.379 550 1HG1 VAL 66 1HG1 VAL 66 1.962 10.197 -3.397 551 2HG1 VAL 66 2HG1 VAL 66 1.434 9.786 -5.028 552 3HG1 VAL 66 3HG1 VAL 66 1.137 11.401 -4.386 553 1HG2 VAL 66 1HG2 VAL 66 -0.866 8.654 -1.988 554 2HG2 VAL 66 2HG2 VAL 66 0.513 7.980 -2.853 555 3HG2 VAL 66 3HG2 VAL 66 0.743 9.317 -1.726 556 H TYR 67 H TYR 67 -2.428 11.206 -5.197 557 HA TYR 67 HA TYR 67 -0.992 13.104 -6.671 558 1HB TYR 67 1HB TYR 67 -3.810 12.082 -6.793 559 2HB TYR 67 2HB TYR 67 -3.324 13.430 -7.814 560 HD1 TYR 67 HD1 TYR 67 -2.655 9.878 -7.038 561 HD2 TYR 67 HD2 TYR 67 -2.010 13.082 -9.760 562 HE1 TYR 67 HE1 TYR 67 -1.717 8.294 -8.668 563 HE2 TYR 67 HE2 TYR 67 -1.072 11.508 -11.400 564 HH TYR 67 HH TYR 67 -1.001 9.227 -11.938 565 H ASN 68 H ASN 68 -3.433 13.432 -4.207 566 HA ASN 68 HA ASN 68 -3.678 16.298 -4.636 567 1HB ASN 68 1HB ASN 68 -5.073 14.312 -2.864 568 2HB ASN 68 2HB ASN 68 -5.232 16.042 -2.576 569 1HD2 ASN 68 1HD2 ASN 68 -7.527 14.281 -5.265 570 2HD2 ASN 68 2HD2 ASN 68 -6.612 13.472 -4.042 571 H LEU 69 H LEU 69 -1.923 14.097 -2.608 572 HA LEU 69 HA LEU 69 -1.531 15.725 -0.364 573 1HB LEU 69 1HB LEU 69 -0.001 14.191 0.361 574 2HB LEU 69 2HB LEU 69 -0.873 13.226 -0.808 575 HG LEU 69 HG LEU 69 0.977 13.765 -2.465 576 1HD1 LEU 69 1HD1 LEU 69 1.944 15.218 -0.105 577 2HD1 LEU 69 2HD1 LEU 69 3.145 14.203 -0.901 578 3HD1 LEU 69 3HD1 LEU 69 2.307 15.454 -1.816 579 1HD2 LEU 69 1HD2 LEU 69 0.914 11.594 -1.492 580 2HD2 LEU 69 2HD2 LEU 69 2.577 12.158 -1.380 581 3HD2 LEU 69 3HD2 LEU 69 1.535 12.195 0.042 582 H ARG 70 H ARG 70 -0.182 15.916 -3.540 583 HA ARG 70 HA ARG 70 2.073 17.487 -2.786 584 1HB ARG 70 1HB ARG 70 0.842 16.693 -5.386 585 2HB ARG 70 2HB ARG 70 2.014 18.005 -5.362 586 1HG ARG 70 1HG ARG 70 2.462 15.171 -4.451 587 2HG ARG 70 2HG ARG 70 3.123 15.940 -5.895 588 1HD ARG 70 1HD ARG 70 3.782 17.544 -3.637 589 2HD ARG 70 2HD ARG 70 4.207 15.872 -3.274 590 HE ARG 70 HE ARG 70 5.099 16.687 -5.862 591 1HH1 ARG 70 1HH1 ARG 70 7.557 17.003 -2.715 592 2HH1 ARG 70 2HH1 ARG 70 5.857 16.799 -2.457 593 1HH2 ARG 70 1HH2 ARG 70 8.396 17.096 -4.841 594 2HH2 ARG 70 2HH2 ARG 70 7.334 16.958 -6.203 595 H MET 71 H MET 71 -1.026 18.219 -2.626 596 HA MET 71 HA MET 71 -0.575 21.062 -3.235 597 1HB MET 71 1HB MET 71 -3.010 19.349 -3.625 598 2HB MET 71 2HB MET 71 -3.168 21.087 -3.412 599 1HG MET 71 1HG MET 71 -1.210 20.182 -5.425 600 2HG MET 71 2HG MET 71 -2.912 19.907 -5.795 601 1HE MET 71 1HE MET 71 -0.137 22.495 -4.994 602 2HE MET 71 2HE MET 71 -0.226 22.121 -6.716 603 3HE MET 71 3HE MET 71 -0.602 23.747 -6.146 604 H ASN 72 H ASN 72 -2.140 18.731 -1.096 605 HA ASN 72 HA ASN 72 -3.118 20.647 0.759 606 1HB ASN 72 1HB ASN 72 -2.487 17.739 1.295 607 2HB ASN 72 2HB ASN 72 -3.603 18.767 2.188 608 1HD2 ASN 72 1HD2 ASN 72 -5.345 16.538 -0.298 609 2HD2 ASN 72 2HD2 ASN 72 -4.113 16.242 0.874 610 H LEU 73 H LEU 73 -2.291 21.306 2.732 611 HA LEU 73 HA LEU 73 0.613 21.124 2.958 612 1HB LEU 73 1HB LEU 73 -1.038 23.240 3.206 613 2HB LEU 73 2HB LEU 73 -0.942 22.744 4.885 614 HG LEU 73 HG LEU 73 1.674 22.888 3.589 615 1HD1 LEU 73 1HD1 LEU 73 -0.100 25.307 3.676 616 2HD1 LEU 73 2HD1 LEU 73 1.658 25.430 3.747 617 3HD1 LEU 73 3HD1 LEU 73 0.881 24.703 2.341 618 1HD2 LEU 73 1HD2 LEU 73 2.302 23.297 5.687 619 2HD2 LEU 73 2HD2 LEU 73 1.158 24.628 5.855 620 3HD2 LEU 73 3HD2 LEU 73 0.632 22.971 6.147 621 H GLY 74 H GLY 74 -0.785 18.763 3.574 622 1HA GLY 74 1HA GLY 74 0.390 17.756 5.760 623 2HA GLY 74 2HA GLY 74 -0.992 18.586 6.462 624 H GLY 75 H GLY 75 -2.910 18.086 4.495 625 1HA GLY 75 1HA GLY 75 -3.348 15.725 3.363 626 2HA GLY 75 2HA GLY 75 -3.444 15.275 5.059 627 H THR 76 H THR 76 -5.640 14.688 3.885 628 HA THR 76 HA THR 76 -7.494 16.885 3.687 629 HB THR 76 HB THR 76 -9.159 15.179 3.186 630 HG1 THR 76 HG1 THR 76 -7.122 13.326 3.859 631 1HG2 THR 76 1HG2 THR 76 -7.994 13.937 1.329 632 2HG2 THR 76 2HG2 THR 76 -7.902 15.697 1.271 633 3HG2 THR 76 3HG2 THR 76 -6.518 14.759 1.832 634 H GLY 77 H GLY 77 -8.339 17.838 5.408 635 1HA GLY 77 1HA GLY 77 -9.999 17.304 7.246 636 2HA GLY 77 2HA GLY 77 -8.752 16.220 7.844 637 H PHE 78 H PHE 78 -8.733 19.578 6.640 638 HA PHE 78 HA PHE 78 -6.873 20.345 8.699 639 1HB PHE 78 1HB PHE 78 -7.222 21.252 6.209 640 2HB PHE 78 2HB PHE 78 -8.244 22.410 7.058 641 HD1 PHE 78 HD1 PHE 78 -7.310 24.157 8.338 642 HD2 PHE 78 HD2 PHE 78 -4.817 21.065 6.814 643 HE1 PHE 78 HE1 PHE 78 -5.319 25.463 8.957 644 HE2 PHE 78 HE2 PHE 78 -2.820 22.363 7.431 645 HZ PHE 78 HZ PHE 78 -3.070 24.565 8.505 646 H GLN 79 H GLN 79 -7.267 21.353 10.558 647 HA GLN 79 HA GLN 79 -9.910 21.461 11.590 648 1HB GLN 79 1HB GLN 79 -8.829 22.512 13.571 649 2HB GLN 79 2HB GLN 79 -8.068 21.007 13.074 650 1HG GLN 79 1HG GLN 79 -6.514 22.655 11.716 651 2HG GLN 79 2HG GLN 79 -7.038 23.786 12.959 652 1HE2 GLN 79 1HE2 GLN 79 -4.484 20.744 13.820 653 2HE2 GLN 79 2HE2 GLN 79 -5.320 20.827 12.310 Start of MODEL 18 1 1H MET 1 1H MET 1 -18.488 7.607 3.551 2 2H MET 1 2H MET 1 -17.500 8.452 2.433 3 3H MET 1 3H MET 1 -18.600 7.260 1.876 4 HA MET 1 HA MET 1 -15.955 7.009 2.876 5 1HB MET 1 1HB MET 1 -17.949 6.176 4.634 6 2HB MET 1 2HB MET 1 -17.487 4.705 3.792 7 1HG MET 1 1HG MET 1 -15.909 4.568 5.361 8 2HG MET 1 2HG MET 1 -15.058 5.747 4.366 9 1HE MET 1 1HE MET 1 -13.674 7.403 6.278 10 2HE MET 1 2HE MET 1 -14.528 7.875 4.808 11 3HE MET 1 3HE MET 1 -14.759 8.794 6.296 12 H ASP 2 H ASP 2 -15.043 6.223 1.101 13 HA ASP 2 HA ASP 2 -16.461 4.119 -0.396 14 1HB ASP 2 1HB ASP 2 -15.051 6.570 -1.386 15 2HB ASP 2 2HB ASP 2 -15.060 5.120 -2.385 16 H ARG 3 H ARG 3 -13.222 5.590 -0.511 17 HA ARG 3 HA ARG 3 -12.050 2.998 0.189 18 1HB ARG 3 1HB ARG 3 -12.180 3.523 -2.379 19 2HB ARG 3 2HB ARG 3 -10.829 4.594 -2.034 20 1HG ARG 3 1HG ARG 3 -9.385 2.898 -1.821 21 2HG ARG 3 2HG ARG 3 -10.532 1.899 -0.929 22 1HD ARG 3 1HD ARG 3 -10.566 0.653 -2.796 23 2HD ARG 3 2HD ARG 3 -11.633 1.910 -3.417 24 HE ARG 3 HE ARG 3 -9.906 2.709 -4.742 25 1HH1 ARG 3 1HH1 ARG 3 -7.258 -0.037 -3.513 26 2HH1 ARG 3 2HH1 ARG 3 -8.746 0.159 -2.650 27 1HH2 ARG 3 1HH2 ARG 3 -6.805 1.261 -5.339 28 2HH2 ARG 3 2HH2 ARG 3 -7.949 2.448 -5.871 29 H VAL 4 H VAL 4 -11.620 4.001 2.219 30 HA VAL 4 HA VAL 4 -9.270 5.759 2.119 31 HB VAL 4 HB VAL 4 -10.090 7.005 4.088 32 1HG1 VAL 4 1HG1 VAL 4 -10.460 7.705 1.660 33 2HG1 VAL 4 2HG1 VAL 4 -12.137 7.212 1.901 34 3HG1 VAL 4 3HG1 VAL 4 -11.444 8.497 2.890 35 1HG2 VAL 4 1HG2 VAL 4 -11.618 5.341 4.986 36 2HG2 VAL 4 2HG2 VAL 4 -12.457 6.865 4.711 37 3HG2 VAL 4 3HG2 VAL 4 -12.669 5.525 3.584 38 H LEU 5 H LEU 5 -7.641 4.855 3.119 39 HA LEU 5 HA LEU 5 -8.089 2.696 5.021 40 1HB LEU 5 1HB LEU 5 -5.974 1.983 4.548 41 2HB LEU 5 2HB LEU 5 -6.420 2.709 3.044 42 HG LEU 5 HG LEU 5 -4.700 4.025 5.140 43 1HD1 LEU 5 1HD1 LEU 5 -3.145 2.611 4.336 44 2HD1 LEU 5 2HD1 LEU 5 -4.104 2.201 2.917 45 3HD1 LEU 5 3HD1 LEU 5 -3.144 3.680 2.936 46 1HD2 LEU 5 1HD2 LEU 5 -4.230 5.407 2.950 47 2HD2 LEU 5 2HD2 LEU 5 -5.849 4.845 2.539 48 3HD2 LEU 5 3HD2 LEU 5 -5.591 5.787 4.004 49 H SER 6 H SER 6 -7.411 2.683 7.124 50 HA SER 6 HA SER 6 -7.193 5.288 8.359 51 1HB SER 6 1HB SER 6 -7.190 3.844 10.493 52 2HB SER 6 2HB SER 6 -8.653 3.845 9.508 53 HG SER 6 HG SER 6 -7.779 1.733 10.234 54 H ARG 7 H ARG 7 -5.694 5.120 10.491 55 HA ARG 7 HA ARG 7 -3.083 5.484 9.622 56 1HB ARG 7 1HB ARG 7 -2.464 5.407 12.024 57 2HB ARG 7 2HB ARG 7 -3.852 6.437 11.701 58 1HG ARG 7 1HG ARG 7 -5.071 5.309 13.158 59 2HG ARG 7 2HG ARG 7 -4.781 3.807 12.281 60 1HD ARG 7 1HD ARG 7 -3.019 3.203 13.628 61 2HD ARG 7 2HD ARG 7 -2.641 4.870 14.063 62 HE ARG 7 HE ARG 7 -5.046 4.495 15.214 63 1HH1 ARG 7 1HH1 ARG 7 -2.380 2.006 16.873 64 2HH1 ARG 7 2HH1 ARG 7 -2.093 2.634 15.284 65 1HH2 ARG 7 1HH2 ARG 7 -4.271 2.592 18.017 66 2HH2 ARG 7 2HH2 ARG 7 -5.424 3.668 17.302 67 H ALA 8 H ALA 8 -4.679 2.604 10.830 68 HA ALA 8 HA ALA 8 -2.353 1.031 11.182 69 1HB ALA 8 1HB ALA 8 -5.219 0.644 11.316 70 2HB ALA 8 2HB ALA 8 -4.402 -0.744 10.597 71 3HB ALA 8 3HB ALA 8 -3.927 -0.172 12.197 72 H ASP 9 H ASP 9 -4.487 1.621 8.439 73 HA ASP 9 HA ASP 9 -3.411 -0.399 6.769 74 1HB ASP 9 1HB ASP 9 -4.934 2.130 6.179 75 2HB ASP 9 2HB ASP 9 -4.500 0.970 4.944 76 H LYS 10 H LYS 10 -2.933 3.153 6.711 77 HA LYS 10 HA LYS 10 -0.923 3.138 4.770 78 1HB LYS 10 1HB LYS 10 -0.242 5.359 5.859 79 2HB LYS 10 2HB LYS 10 -1.866 5.230 5.209 80 1HG LYS 10 1HG LYS 10 -2.823 5.520 7.203 81 2HG LYS 10 2HG LYS 10 -1.653 4.488 8.020 82 1HD LYS 10 1HD LYS 10 -1.051 7.292 7.104 83 2HD LYS 10 2HD LYS 10 -1.610 6.891 8.729 84 1HE LYS 10 1HE LYS 10 0.500 5.142 8.268 85 2HE LYS 10 2HE LYS 10 1.037 6.670 7.570 86 1HZ LYS 10 1HZ LYS 10 1.571 6.317 9.980 87 2HZ LYS 10 2HZ LYS 10 0.764 7.760 9.623 88 3HZ LYS 10 3HZ LYS 10 -0.084 6.465 10.305 89 H GLU 11 H GLU 11 -0.763 2.803 8.265 90 HA GLU 11 HA GLU 11 2.071 2.842 8.456 91 1HB GLU 11 1HB GLU 11 -0.144 1.904 10.251 92 2HB GLU 11 2HB GLU 11 1.523 1.506 10.640 93 1HG GLU 11 1HG GLU 11 1.078 4.326 10.000 94 2HG GLU 11 2HG GLU 11 0.222 3.756 11.431 95 H ARG 12 H ARG 12 -0.339 0.362 7.898 96 HA ARG 12 HA ARG 12 1.399 -1.876 8.115 97 1HB ARG 12 1HB ARG 12 -1.035 -2.107 8.284 98 2HB ARG 12 2HB ARG 12 -1.216 -1.552 6.624 99 1HG ARG 12 1HG ARG 12 0.350 -3.598 6.111 100 2HG ARG 12 2HG ARG 12 -0.275 -4.175 7.660 101 1HD ARG 12 1HD ARG 12 -2.178 -3.131 5.615 102 2HD ARG 12 2HD ARG 12 -1.508 -4.748 5.412 103 HE ARG 12 HE ARG 12 -2.384 -4.883 7.915 104 1HH1 ARG 12 1HH1 ARG 12 -5.537 -3.960 5.619 105 2HH1 ARG 12 2HH1 ARG 12 -3.938 -3.605 5.057 106 1HH2 ARG 12 1HH2 ARG 12 -5.850 -4.950 7.654 107 2HH2 ARG 12 2HH2 ARG 12 -4.489 -5.351 8.647 108 H LEU 13 H LEU 13 0.506 0.328 5.558 109 HA LEU 13 HA LEU 13 1.587 -1.098 3.371 110 1HB LEU 13 1HB LEU 13 0.089 0.664 2.883 111 2HB LEU 13 2HB LEU 13 0.959 1.795 3.893 112 HG LEU 13 HG LEU 13 2.869 1.339 2.075 113 1HD1 LEU 13 1HD1 LEU 13 0.268 0.789 0.669 114 2HD1 LEU 13 2HD1 LEU 13 1.731 1.309 -0.167 115 3HD1 LEU 13 3HD1 LEU 13 1.715 -0.220 0.714 116 1HD2 LEU 13 1HD2 LEU 13 1.740 3.482 2.795 117 2HD2 LEU 13 2HD2 LEU 13 2.302 3.421 1.125 118 3HD2 LEU 13 3HD2 LEU 13 0.586 3.206 1.487 119 H LEU 14 H LEU 14 2.908 1.095 5.748 120 HA LEU 14 HA LEU 14 5.397 1.578 4.525 121 1HB LEU 14 1HB LEU 14 4.271 1.848 7.263 122 2HB LEU 14 2HB LEU 14 6.015 1.908 7.089 123 HG LEU 14 HG LEU 14 4.009 3.757 5.801 124 1HD1 LEU 14 1HD1 LEU 14 6.149 4.265 7.862 125 2HD1 LEU 14 2HD1 LEU 14 5.051 5.463 7.178 126 3HD1 LEU 14 3HD1 LEU 14 4.419 4.158 8.183 127 1HD2 LEU 14 1HD2 LEU 14 5.531 4.340 4.296 128 2HD2 LEU 14 2HD2 LEU 14 6.730 4.619 5.560 129 3HD2 LEU 14 3HD2 LEU 14 6.552 3.015 4.849 130 H GLU 15 H GLU 15 4.292 -0.897 6.795 131 HA GLU 15 HA GLU 15 6.754 -2.084 7.365 132 1HB GLU 15 1HB GLU 15 4.034 -3.388 7.146 133 2HB GLU 15 2HB GLU 15 5.442 -4.109 7.914 134 1HG GLU 15 1HG GLU 15 4.858 -1.476 8.967 135 2HG GLU 15 2HG GLU 15 3.493 -2.578 9.129 136 H LEU 16 H LEU 16 4.462 -2.689 4.740 137 HA LEU 16 HA LEU 16 6.108 -4.736 3.555 138 1HB LEU 16 1HB LEU 16 3.553 -3.367 2.791 139 2HB LEU 16 2HB LEU 16 4.409 -4.351 1.621 140 HG LEU 16 HG LEU 16 4.304 -6.205 3.425 141 1HD1 LEU 16 1HD1 LEU 16 3.291 -4.269 4.990 142 2HD1 LEU 16 2HD1 LEU 16 1.799 -4.953 4.346 143 3HD1 LEU 16 3HD1 LEU 16 2.942 -5.984 5.208 144 1HD2 LEU 16 1HD2 LEU 16 3.096 -6.252 1.298 145 2HD2 LEU 16 2HD2 LEU 16 2.121 -6.916 2.608 146 3HD2 LEU 16 3HD2 LEU 16 1.804 -5.288 2.009 147 H LEU 17 H LEU 17 6.065 -1.350 3.527 148 HA LEU 17 HA LEU 17 7.221 -1.078 0.880 149 1HB LEU 17 1HB LEU 17 6.157 0.750 2.945 150 2HB LEU 17 2HB LEU 17 7.422 1.388 1.920 151 HG LEU 17 HG LEU 17 4.852 1.664 1.331 152 1HD1 LEU 17 1HD1 LEU 17 7.295 1.828 -0.080 153 2HD1 LEU 17 2HD1 LEU 17 6.097 1.133 -1.170 154 3HD1 LEU 17 3HD1 LEU 17 5.786 2.685 -0.392 155 1HD2 LEU 17 1HD2 LEU 17 4.903 -1.014 1.194 156 2HD2 LEU 17 2HD2 LEU 17 3.826 -0.013 0.222 157 3HD2 LEU 17 3HD2 LEU 17 5.328 -0.622 -0.472 158 H LYS 18 H LYS 18 8.378 -1.756 3.969 159 HA LYS 18 HA LYS 18 10.458 -1.710 4.913 160 1HB LYS 18 1HB LYS 18 10.855 -2.129 2.060 161 2HB LYS 18 2HB LYS 18 12.223 -1.315 2.804 162 1HG LYS 18 1HG LYS 18 12.526 -3.730 2.784 163 2HG LYS 18 2HG LYS 18 12.425 -3.112 4.433 164 1HD LYS 18 1HD LYS 18 9.914 -3.686 4.250 165 2HD LYS 18 2HD LYS 18 10.400 -4.677 2.875 166 1HE LYS 18 1HE LYS 18 11.791 -4.926 5.515 167 2HE LYS 18 2HE LYS 18 10.265 -5.757 5.221 168 1HZ LYS 18 1HZ LYS 18 11.288 -7.291 4.005 169 2HZ LYS 18 2HZ LYS 18 12.119 -6.141 3.084 170 3HZ LYS 18 3HZ LYS 18 12.758 -6.662 4.560 171 H LEU 19 H LEU 19 8.969 0.792 4.101 172 HA LEU 19 HA LEU 19 11.173 2.724 4.195 173 1HB LEU 19 1HB LEU 19 9.674 2.828 2.235 174 2HB LEU 19 2HB LEU 19 8.306 3.058 3.302 175 HG LEU 19 HG LEU 19 10.393 5.050 3.721 176 1HD1 LEU 19 1HD1 LEU 19 10.912 5.453 1.591 177 2HD1 LEU 19 2HD1 LEU 19 9.648 4.378 0.995 178 3HD1 LEU 19 3HD1 LEU 19 9.264 6.049 1.407 179 1HD2 LEU 19 1HD2 LEU 19 8.411 5.650 4.678 180 2HD2 LEU 19 2HD2 LEU 19 8.216 6.437 3.110 181 3HD2 LEU 19 3HD2 LEU 19 7.445 4.883 3.417 182 HA PRO 20 HA PRO 20 9.968 3.026 8.546 183 1HB PRO 20 1HB PRO 20 11.507 5.557 8.173 184 2HB PRO 20 2HB PRO 20 11.610 4.358 9.466 185 1HG PRO 20 1HG PRO 20 13.444 4.451 7.528 186 2HG PRO 20 2HG PRO 20 12.894 2.908 8.205 187 1HD PRO 20 1HD PRO 20 12.288 4.147 5.576 188 2HD PRO 20 2HD PRO 20 12.370 2.434 6.027 189 H ARG 21 H ARG 21 8.898 4.649 9.895 190 HA ARG 21 HA ARG 21 6.886 6.086 8.367 191 1HB ARG 21 1HB ARG 21 5.769 6.370 10.573 192 2HB ARG 21 2HB ARG 21 6.045 4.692 10.131 193 1HG ARG 21 1HG ARG 21 8.294 5.257 11.559 194 2HG ARG 21 2HG ARG 21 7.086 6.247 12.378 195 1HD ARG 21 1HD ARG 21 6.094 4.467 13.288 196 2HD ARG 21 2HD ARG 21 6.110 3.579 11.765 197 HE ARG 21 HE ARG 21 8.662 3.719 13.104 198 1HH1 ARG 21 1HH1 ARG 21 6.373 0.436 13.279 199 2HH1 ARG 21 2HH1 ARG 21 5.690 1.928 12.725 200 1HH2 ARG 21 1HH2 ARG 21 8.567 0.339 13.911 201 2HH2 ARG 21 2HH2 ARG 21 9.560 1.758 13.837 202 H GLN 22 H GLN 22 9.863 6.822 9.554 203 HA GLN 22 HA GLN 22 9.289 9.418 10.661 204 1HB GLN 22 1HB GLN 22 11.366 7.672 10.917 205 2HB GLN 22 2HB GLN 22 12.043 8.841 9.794 206 1HG GLN 22 1HG GLN 22 10.687 10.107 12.025 207 2HG GLN 22 2HG GLN 22 11.996 9.044 12.538 208 1HE2 GLN 22 1HE2 GLN 22 14.568 11.041 11.250 209 2HE2 GLN 22 2HE2 GLN 22 14.111 9.468 11.798 210 H LEU 23 H LEU 23 10.126 8.101 7.563 211 HA LEU 23 HA LEU 23 10.438 10.808 6.482 212 1HB LEU 23 1HB LEU 23 11.628 9.905 4.648 213 2HB LEU 23 2HB LEU 23 12.281 9.173 6.095 214 HG LEU 23 HG LEU 23 12.191 7.502 4.398 215 1HD1 LEU 23 1HD1 LEU 23 10.926 5.784 5.423 216 2HD1 LEU 23 2HD1 LEU 23 11.466 6.862 6.715 217 3HD1 LEU 23 3HD1 LEU 23 9.805 6.949 6.129 218 1HD2 LEU 23 1HD2 LEU 23 10.456 7.073 2.982 219 2HD2 LEU 23 2HD2 LEU 23 9.246 7.710 4.095 220 3HD2 LEU 23 3HD2 LEU 23 10.288 8.814 3.194 221 H TRP 24 H TRP 24 7.961 9.003 7.091 222 HA TRP 24 HA TRP 24 6.598 8.422 4.739 223 1HB TRP 24 1HB TRP 24 5.768 7.659 6.867 224 2HB TRP 24 2HB TRP 24 5.586 9.308 7.446 225 HD1 TRP 24 HD1 TRP 24 3.423 10.657 6.653 226 HE1 TRP 24 HE1 TRP 24 1.181 9.881 5.649 227 HE3 TRP 24 HE3 TRP 24 4.750 5.925 5.262 228 HZ2 TRP 24 HZ2 TRP 24 0.118 7.561 4.435 229 HZ3 TRP 24 HZ3 TRP 24 3.066 4.491 4.182 230 HH2 TRP 24 HH2 TRP 24 0.800 5.296 3.776 231 H GLY 25 H GLY 25 6.741 9.945 3.130 232 1HA GLY 25 1HA GLY 25 4.868 11.892 2.824 233 2HA GLY 25 2HA GLY 25 6.186 12.730 3.629 234 H ASP 26 H ASP 26 8.204 11.029 2.287 235 HA ASP 26 HA ASP 26 8.494 12.639 -0.077 236 1HB ASP 26 1HB ASP 26 10.332 11.762 1.559 237 2HB ASP 26 2HB ASP 26 10.260 10.304 0.574 238 H PHE 27 H PHE 27 6.941 12.081 -1.559 239 HA PHE 27 HA PHE 27 5.971 9.601 -2.216 240 1HB PHE 27 1HB PHE 27 5.109 11.761 -3.094 241 2HB PHE 27 2HB PHE 27 6.491 11.835 -4.183 242 HD1 PHE 27 HD1 PHE 27 6.081 11.210 -6.346 243 HD2 PHE 27 HD2 PHE 27 3.877 9.350 -3.217 244 HE1 PHE 27 HE1 PHE 27 4.840 9.887 -8.010 245 HE2 PHE 27 HE2 PHE 27 2.632 8.026 -4.875 246 HZ PHE 27 HZ PHE 27 3.114 8.293 -7.275 247 H GLY 28 H GLY 28 8.920 11.137 -3.409 248 1HA GLY 28 1HA GLY 28 9.533 9.277 -5.420 249 2HA GLY 28 2HA GLY 28 10.694 10.309 -4.603 250 H ARG 29 H ARG 29 10.137 9.173 -1.956 251 HA ARG 29 HA ARG 29 11.907 6.907 -2.186 252 1HB ARG 29 1HB ARG 29 11.135 8.773 -0.118 253 2HB ARG 29 2HB ARG 29 11.108 7.122 0.486 254 1HG ARG 29 1HG ARG 29 13.444 6.939 -0.606 255 2HG ARG 29 2HG ARG 29 13.406 8.702 -0.589 256 1HD ARG 29 1HD ARG 29 12.574 8.028 1.949 257 2HD ARG 29 2HD ARG 29 13.803 6.817 1.595 258 HE ARG 29 HE ARG 29 14.271 9.726 1.446 259 1HH1 ARG 29 1HH1 ARG 29 16.946 7.015 2.685 260 2HH1 ARG 29 2HH1 ARG 29 15.381 6.487 2.173 261 1HH2 ARG 29 1HH2 ARG 29 17.485 9.231 2.655 262 2HH2 ARG 29 2HH2 ARG 29 16.329 10.403 2.119 263 H MET 30 H MET 30 8.584 7.436 -0.997 264 HA MET 30 HA MET 30 8.090 4.814 -0.176 265 1HB MET 30 1HB MET 30 5.679 5.361 -0.496 266 2HB MET 30 2HB MET 30 6.561 6.553 0.446 267 1HG MET 30 1HG MET 30 6.683 8.024 -1.464 268 2HG MET 30 2HG MET 30 5.893 6.815 -2.472 269 1HE MET 30 1HE MET 30 4.046 9.174 0.968 270 2HE MET 30 2HE MET 30 4.391 7.486 1.341 271 3HE MET 30 3HE MET 30 5.694 8.563 0.837 272 H GLN 31 H GLN 31 7.544 6.332 -3.348 273 HA GLN 31 HA GLN 31 6.419 4.071 -4.590 274 1HB GLN 31 1HB GLN 31 6.584 6.550 -5.402 275 2HB GLN 31 2HB GLN 31 8.116 6.038 -6.096 276 1HG GLN 31 1HG GLN 31 7.041 4.434 -7.485 277 2HG GLN 31 2HG GLN 31 5.501 4.665 -6.657 278 1HE2 GLN 31 1HE2 GLN 31 4.697 6.683 -9.391 279 2HE2 GLN 31 2HE2 GLN 31 4.475 5.160 -8.604 280 H GLN 32 H GLN 32 9.763 5.214 -4.330 281 HA GLN 32 HA GLN 32 10.970 3.261 -5.936 282 1HB GLN 32 1HB GLN 32 11.891 5.050 -3.734 283 2HB GLN 32 2HB GLN 32 12.943 3.725 -4.213 284 1HG GLN 32 1HG GLN 32 12.102 4.969 -6.586 285 2HG GLN 32 2HG GLN 32 12.537 6.259 -5.467 286 1HE2 GLN 32 1HE2 GLN 32 15.755 5.819 -6.770 287 2HE2 GLN 32 2HE2 GLN 32 14.318 6.778 -6.785 288 H ALA 33 H ALA 33 9.878 3.229 -2.620 289 HA ALA 33 HA ALA 33 11.109 0.710 -1.977 290 1HB ALA 33 1HB ALA 33 9.114 1.145 -0.110 291 2HB ALA 33 2HB ALA 33 10.807 1.614 0.040 292 3HB ALA 33 3HB ALA 33 9.623 2.768 -0.574 293 H TYR 34 H TYR 34 7.867 1.857 -2.823 294 HA TYR 34 HA TYR 34 6.423 -0.478 -2.478 295 1HB TYR 34 1HB TYR 34 5.316 1.613 -3.005 296 2HB TYR 34 2HB TYR 34 6.097 1.673 -4.581 297 HD1 TYR 34 HD1 TYR 34 3.231 0.560 -2.746 298 HD2 TYR 34 HD2 TYR 34 5.535 -0.177 -6.252 299 HE1 TYR 34 HE1 TYR 34 1.345 -0.674 -3.729 300 HE2 TYR 34 HE2 TYR 34 3.646 -1.401 -7.243 301 HH TYR 34 HH TYR 34 1.077 -1.390 -6.931 302 H LYS 35 H LYS 35 8.218 0.615 -5.342 303 HA LYS 35 HA LYS 35 7.658 -1.736 -6.861 304 1HB LYS 35 1HB LYS 35 8.416 0.670 -7.623 305 2HB LYS 35 2HB LYS 35 10.029 0.000 -7.422 306 1HG LYS 35 1HG LYS 35 8.528 -1.886 -8.891 307 2HG LYS 35 2HG LYS 35 8.218 -0.299 -9.599 308 1HD LYS 35 1HD LYS 35 11.030 -0.903 -8.932 309 2HD LYS 35 2HD LYS 35 10.327 -1.838 -10.253 310 1HE LYS 35 1HE LYS 35 9.523 0.816 -10.674 311 2HE LYS 35 2HE LYS 35 11.226 0.894 -10.222 312 1HZ LYS 35 1HZ LYS 35 11.846 -0.399 -12.025 313 2HZ LYS 35 2HZ LYS 35 10.292 -1.020 -12.263 314 3HZ LYS 35 3HZ LYS 35 10.631 0.583 -12.675 315 H GLN 36 H GLN 36 10.298 -0.664 -4.795 316 HA GLN 36 HA GLN 36 12.178 -2.639 -5.398 317 1HB GLN 36 1HB GLN 36 11.697 -0.751 -3.193 318 2HB GLN 36 2HB GLN 36 12.598 -2.189 -2.733 319 1HG GLN 36 1HG GLN 36 13.801 -1.390 -5.084 320 2HG GLN 36 2HG GLN 36 13.434 0.124 -4.260 321 1HE2 GLN 36 1HE2 GLN 36 16.192 -0.139 -2.222 322 2HE2 GLN 36 2HE2 GLN 36 15.064 0.830 -3.102 323 H GLN 37 H GLN 37 9.388 -2.667 -3.281 324 HA GLN 37 HA GLN 37 10.007 -5.334 -2.306 325 1HB GLN 37 1HB GLN 37 7.651 -3.534 -1.728 326 2HB GLN 37 2HB GLN 37 8.005 -5.051 -0.913 327 1HG GLN 37 1HG GLN 37 9.925 -2.747 -0.926 328 2HG GLN 37 2HG GLN 37 8.663 -2.924 0.289 329 1HE2 GLN 37 1HE2 GLN 37 12.076 -4.611 1.017 330 2HE2 GLN 37 2HE2 GLN 37 11.758 -3.190 0.087 331 H SER 38 H SER 38 8.153 -3.825 -4.773 332 HA SER 38 HA SER 38 6.179 -5.842 -5.114 333 1HB SER 38 1HB SER 38 7.258 -3.739 -7.006 334 2HB SER 38 2HB SER 38 5.907 -4.802 -7.395 335 HG SER 38 HG SER 38 5.480 -3.671 -5.004 336 H LEU 39 H LEU 39 9.478 -5.458 -6.137 337 HA LEU 39 HA LEU 39 9.418 -7.431 -8.203 338 1HB LEU 39 1HB LEU 39 11.393 -5.685 -6.943 339 2HB LEU 39 2HB LEU 39 12.046 -7.254 -7.371 340 HG LEU 39 HG LEU 39 10.669 -5.356 -9.275 341 1HD1 LEU 39 1HD1 LEU 39 12.790 -4.841 -10.148 342 2HD1 LEU 39 2HD1 LEU 39 12.966 -4.718 -8.397 343 3HD1 LEU 39 3HD1 LEU 39 13.569 -6.141 -9.247 344 1HD2 LEU 39 1HD2 LEU 39 10.257 -7.432 -10.194 345 2HD2 LEU 39 2HD2 LEU 39 11.811 -7.026 -10.920 346 3HD2 LEU 39 3HD2 LEU 39 11.742 -8.131 -9.547 347 H LEU 40 H LEU 40 10.026 -7.460 -4.755 348 HA LEU 40 HA LEU 40 10.965 -10.206 -4.812 349 1HB LEU 40 1HB LEU 40 11.012 -9.930 -2.301 350 2HB LEU 40 2HB LEU 40 12.092 -8.901 -3.218 351 HG LEU 40 HG LEU 40 10.069 -7.192 -3.002 352 1HD1 LEU 40 1HD1 LEU 40 8.962 -9.209 -1.616 353 2HD1 LEU 40 2HD1 LEU 40 9.787 -8.353 -0.314 354 3HD1 LEU 40 3HD1 LEU 40 8.611 -7.506 -1.319 355 1HD2 LEU 40 1HD2 LEU 40 12.233 -7.837 -1.033 356 2HD2 LEU 40 2HD2 LEU 40 12.177 -6.549 -2.237 357 3HD2 LEU 40 3HD2 LEU 40 11.156 -6.461 -0.802 358 H LEU 41 H LEU 41 7.983 -8.586 -4.572 359 HA LEU 41 HA LEU 41 6.693 -10.800 -3.171 360 1HB LEU 41 1HB LEU 41 5.756 -8.082 -4.049 361 2HB LEU 41 2HB LEU 41 4.639 -9.306 -3.472 362 HG LEU 41 HG LEU 41 6.983 -8.505 -1.789 363 1HD1 LEU 41 1HD1 LEU 41 6.150 -6.519 -1.227 364 2HD1 LEU 41 2HD1 LEU 41 5.152 -6.642 -2.675 365 3HD1 LEU 41 3HD1 LEU 41 4.507 -7.147 -1.114 366 1HD2 LEU 41 1HD2 LEU 41 5.656 -9.305 0.000 367 2HD2 LEU 41 2HD2 LEU 41 4.213 -9.366 -1.009 368 3HD2 LEU 41 3HD2 LEU 41 5.531 -10.502 -1.289 369 H HIS 42 H HIS 42 7.646 -10.312 -6.234 370 HA HIS 42 HA HIS 42 5.256 -10.965 -7.662 371 1HB HIS 42 1HB HIS 42 7.339 -9.706 -8.520 372 2HB HIS 42 2HB HIS 42 8.045 -11.305 -8.735 373 HD1 HIS 42 HD1 HIS 42 7.283 -12.652 -10.724 374 HD2 HIS 42 HD2 HIS 42 5.113 -9.154 -10.224 375 HE1 HIS 42 HE1 HIS 42 5.913 -12.414 -12.819 376 HE2 HIS 42 HE2 HIS 42 4.687 -10.231 -12.538 377 HA PRO 43 HA PRO 43 4.934 -15.310 -6.835 378 1HB PRO 43 1HB PRO 43 4.217 -15.313 -9.740 379 2HB PRO 43 2HB PRO 43 3.411 -16.109 -8.382 380 1HG PRO 43 1HG PRO 43 2.444 -13.846 -9.410 381 2HG PRO 43 2HG PRO 43 2.397 -14.155 -7.665 382 1HD PRO 43 1HD PRO 43 4.115 -12.294 -9.205 383 2HD PRO 43 2HD PRO 43 3.567 -12.196 -7.522 384 H ASP 44 H ASP 44 6.561 -14.269 -9.839 385 HA ASP 44 HA ASP 44 7.827 -16.710 -10.382 386 1HB ASP 44 1HB ASP 44 7.992 -13.987 -11.366 387 2HB ASP 44 2HB ASP 44 9.575 -14.753 -11.329 388 H LYS 45 H LYS 45 8.405 -14.533 -7.839 389 HA LYS 45 HA LYS 45 11.147 -15.516 -7.483 390 1HB LYS 45 1HB LYS 45 9.843 -13.361 -5.839 391 2HB LYS 45 2HB LYS 45 11.556 -13.671 -6.068 392 1HG LYS 45 1HG LYS 45 9.705 -12.725 -8.241 393 2HG LYS 45 2HG LYS 45 10.717 -11.666 -7.257 394 1HD LYS 45 1HD LYS 45 12.702 -12.558 -8.145 395 2HD LYS 45 2HD LYS 45 11.868 -13.960 -8.818 396 1HE LYS 45 1HE LYS 45 10.696 -11.599 -9.901 397 2HE LYS 45 2HE LYS 45 12.446 -11.481 -10.067 398 1HZ LYS 45 1HZ LYS 45 10.737 -12.886 -11.687 399 2HZ LYS 45 2HZ LYS 45 12.425 -12.987 -11.680 400 3HZ LYS 45 3HZ LYS 45 11.510 -14.078 -10.767 401 H GLY 46 H GLY 46 8.787 -17.152 -6.978 402 1HA GLY 46 1HA GLY 46 8.070 -18.668 -5.414 403 2HA GLY 46 2HA GLY 46 9.549 -18.312 -4.539 404 H GLY 47 H GLY 47 7.505 -15.621 -5.143 405 1HA GLY 47 1HA GLY 47 6.879 -15.498 -2.288 406 2HA GLY 47 2HA GLY 47 6.741 -14.177 -3.440 407 H SER 48 H SER 48 4.680 -14.249 -1.913 408 HA SER 48 HA SER 48 2.631 -16.027 -2.966 409 1HB SER 48 1HB SER 48 2.927 -14.291 -0.588 410 2HB SER 48 2HB SER 48 1.296 -14.412 -1.245 411 HG SER 48 HG SER 48 2.042 -16.045 0.378 412 H HIS 49 H HIS 49 0.788 -15.353 -4.053 413 HA HIS 49 HA HIS 49 1.116 -12.938 -5.609 414 1HB HIS 49 1HB HIS 49 0.318 -15.129 -6.569 415 2HB HIS 49 2HB HIS 49 -1.186 -14.895 -5.683 416 HD1 HIS 49 HD1 HIS 49 0.733 -12.294 -7.669 417 HD2 HIS 49 HD2 HIS 49 -2.908 -14.296 -7.706 418 HE1 HIS 49 HE1 HIS 49 -0.603 -11.224 -9.510 419 HE2 HIS 49 HE2 HIS 49 -2.782 -12.486 -9.551 420 H ALA 50 H ALA 50 -0.975 -14.138 -3.056 421 HA ALA 50 HA ALA 50 -2.931 -12.118 -3.154 422 1HB ALA 50 1HB ALA 50 -3.656 -13.844 -1.863 423 2HB ALA 50 2HB ALA 50 -2.065 -14.133 -1.159 424 3HB ALA 50 3HB ALA 50 -3.051 -12.789 -0.585 425 H LEU 51 H LEU 51 0.241 -12.258 -1.678 426 HA LEU 51 HA LEU 51 0.031 -10.086 0.074 427 1HB LEU 51 1HB LEU 51 2.236 -11.557 -1.242 428 2HB LEU 51 2HB LEU 51 2.618 -9.950 -0.659 429 HG LEU 51 HG LEU 51 1.671 -10.704 1.590 430 1HD1 LEU 51 1HD1 LEU 51 1.088 -13.012 0.073 431 2HD1 LEU 51 2HD1 LEU 51 2.339 -13.453 1.235 432 3HD1 LEU 51 3HD1 LEU 51 0.825 -12.740 1.794 433 1HD2 LEU 51 1HD2 LEU 51 3.804 -11.987 2.099 434 2HD2 LEU 51 2HD2 LEU 51 4.203 -11.789 0.392 435 3HD2 LEU 51 3HD2 LEU 51 3.991 -10.371 1.420 436 H MET 52 H MET 52 1.387 -10.154 -3.228 437 HA MET 52 HA MET 52 1.835 -7.421 -3.489 438 1HB MET 52 1HB MET 52 1.643 -9.729 -5.287 439 2HB MET 52 2HB MET 52 1.201 -8.207 -6.049 440 1HG MET 52 1HG MET 52 3.588 -7.850 -4.515 441 2HG MET 52 2HG MET 52 3.772 -9.238 -5.584 442 1HE MET 52 1HE MET 52 4.081 -5.125 -5.801 443 2HE MET 52 2HE MET 52 2.600 -5.017 -6.753 444 3HE MET 52 3HE MET 52 2.572 -5.777 -5.161 445 H GLN 53 H GLN 53 -1.097 -9.283 -3.849 446 HA GLN 53 HA GLN 53 -2.643 -7.365 -5.217 447 1HB GLN 53 1HB GLN 53 -3.496 -9.550 -3.309 448 2HB GLN 53 2HB GLN 53 -4.591 -8.634 -4.334 449 1HG GLN 53 1HG GLN 53 -2.384 -9.844 -5.800 450 2HG GLN 53 2HG GLN 53 -3.406 -11.017 -4.972 451 1HE2 GLN 53 1HE2 GLN 53 -4.694 -9.071 -8.266 452 2HE2 GLN 53 2HE2 GLN 53 -3.153 -8.764 -7.549 453 H GLU 54 H GLU 54 -1.763 -7.737 -1.868 454 HA GLU 54 HA GLU 54 -3.737 -5.912 -0.864 455 1HB GLU 54 1HB GLU 54 -2.018 -7.796 0.255 456 2HB GLU 54 2HB GLU 54 -1.401 -6.255 0.835 457 1HG GLU 54 1HG GLU 54 -3.020 -6.123 2.332 458 2HG GLU 54 2HG GLU 54 -4.243 -6.267 1.071 459 H LEU 55 H LEU 55 -0.284 -5.738 -1.642 460 HA LEU 55 HA LEU 55 0.251 -3.175 -0.718 461 1HB LEU 55 1HB LEU 55 1.762 -5.033 -1.810 462 2HB LEU 55 2HB LEU 55 1.456 -4.129 -3.280 463 HG LEU 55 HG LEU 55 2.559 -2.201 -2.446 464 1HD1 LEU 55 1HD1 LEU 55 2.369 -3.570 0.214 465 2HD1 LEU 55 2HD1 LEU 55 3.562 -2.306 -0.084 466 3HD1 LEU 55 3HD1 LEU 55 1.842 -1.951 -0.243 467 1HD2 LEU 55 1HD2 LEU 55 4.304 -3.438 -3.173 468 2HD2 LEU 55 2HD2 LEU 55 4.735 -3.420 -1.463 469 3HD2 LEU 55 3HD2 LEU 55 3.897 -4.815 -2.147 470 H ASN 56 H ASN 56 -0.949 -4.198 -3.899 471 HA ASN 56 HA ASN 56 -1.012 -1.676 -5.104 472 1HB ASN 56 1HB ASN 56 -2.519 -4.232 -5.565 473 2HB ASN 56 2HB ASN 56 -2.942 -2.783 -6.472 474 1HD2 ASN 56 1HD2 ASN 56 0.620 -4.671 -7.135 475 2HD2 ASN 56 2HD2 ASN 56 -0.248 -4.911 -5.661 476 H SER 57 H SER 57 -3.208 -3.224 -2.877 477 HA SER 57 HA SER 57 -5.342 -1.342 -3.260 478 1HB SER 57 1HB SER 57 -4.845 -3.375 -1.071 479 2HB SER 57 2HB SER 57 -6.325 -2.434 -1.252 480 HG SER 57 HG SER 57 -6.936 -3.710 -2.807 481 H LEU 58 H LEU 58 -3.019 -1.946 -0.621 482 HA LEU 58 HA LEU 58 -3.766 0.271 0.934 483 1HB LEU 58 1HB LEU 58 -1.458 -1.582 0.843 484 2HB LEU 58 2HB LEU 58 -1.203 -0.054 1.663 485 HG LEU 58 HG LEU 58 -3.393 -2.017 2.338 486 1HD1 LEU 58 1HD1 LEU 58 -1.912 -3.139 3.545 487 2HD1 LEU 58 2HD1 LEU 58 -0.626 -2.085 2.958 488 3HD1 LEU 58 3HD1 LEU 58 -1.502 -1.668 4.429 489 1HD2 LEU 58 1HD2 LEU 58 -2.691 0.707 3.257 490 2HD2 LEU 58 2HD2 LEU 58 -4.260 -0.092 3.172 491 3HD2 LEU 58 3HD2 LEU 58 -3.157 -0.455 4.498 492 H TRP 59 H TRP 59 -1.680 -0.020 -1.837 493 HA TRP 59 HA TRP 59 -0.580 2.644 -1.458 494 1HB TRP 59 1HB TRP 59 0.970 1.007 -2.270 495 2HB TRP 59 2HB TRP 59 -0.143 0.491 -3.528 496 HD1 TRP 59 HD1 TRP 59 0.128 1.572 -5.830 497 HE1 TRP 59 HE1 TRP 59 1.563 3.470 -6.803 498 HE3 TRP 59 HE3 TRP 59 2.040 3.480 -1.476 499 HZ2 TRP 59 HZ2 TRP 59 3.284 5.494 -5.863 500 HZ3 TRP 59 HZ3 TRP 59 3.583 5.388 -1.614 501 HH2 TRP 59 HH2 TRP 59 4.186 6.376 -3.759 502 H GLY 60 H GLY 60 -3.108 1.004 -3.159 503 1HA GLY 60 1HA GLY 60 -3.535 2.926 -5.211 504 2HA GLY 60 2HA GLY 60 -4.685 1.714 -4.677 505 H THR 61 H THR 61 -5.611 2.236 -2.372 506 HA THR 61 HA THR 61 -7.172 4.527 -2.511 507 HB THR 61 HB THR 61 -7.073 2.425 -0.821 508 HG1 THR 61 HG1 THR 61 -8.269 4.947 -0.397 509 1HG2 THR 61 1HG2 THR 61 -5.808 4.635 0.701 510 2HG2 THR 61 2HG2 THR 61 -6.870 3.480 1.485 511 3HG2 THR 61 3HG2 THR 61 -5.411 2.918 0.673 512 H PHE 62 H PHE 62 -4.222 3.891 -0.776 513 HA PHE 62 HA PHE 62 -3.612 6.272 0.440 514 1HB PHE 62 1HB PHE 62 -2.233 4.251 0.581 515 2HB PHE 62 2HB PHE 62 -1.793 4.420 -1.116 516 HD1 PHE 62 HD1 PHE 62 -1.940 7.247 1.247 517 HD2 PHE 62 HD2 PHE 62 0.538 4.443 -0.785 518 HE1 PHE 62 HE1 PHE 62 0.053 8.538 1.899 519 HE2 PHE 62 HE2 PHE 62 2.528 5.729 -0.136 520 HZ PHE 62 HZ PHE 62 2.291 7.770 1.201 521 H LYS 63 H LYS 63 -2.850 5.278 -2.847 522 HA LYS 63 HA LYS 63 -1.629 7.584 -3.773 523 1HB LYS 63 1HB LYS 63 -2.531 5.112 -4.817 524 2HB LYS 63 2HB LYS 63 -3.177 6.360 -5.852 525 1HG LYS 63 1HG LYS 63 -0.919 7.258 -6.172 526 2HG LYS 63 2HG LYS 63 -0.280 5.978 -5.139 527 1HD LYS 63 1HD LYS 63 -1.669 5.655 -7.799 528 2HD LYS 63 2HD LYS 63 0.031 5.346 -7.441 529 1HE LYS 63 1HE LYS 63 -0.556 3.224 -7.088 530 2HE LYS 63 2HE LYS 63 -1.333 3.773 -5.605 531 1HZ LYS 63 1HZ LYS 63 -2.645 3.564 -8.264 532 2HZ LYS 63 2HZ LYS 63 -2.833 2.470 -6.989 533 3HZ LYS 63 3HZ LYS 63 -3.392 4.058 -6.829 534 H THR 64 H THR 64 -5.077 6.755 -3.632 535 HA THR 64 HA THR 64 -6.173 8.732 -5.195 536 HB THR 64 HB THR 64 -7.192 7.811 -2.495 537 HG1 THR 64 HG1 THR 64 -6.831 6.242 -4.313 538 1HG2 THR 64 1HG2 THR 64 -9.379 8.456 -3.191 539 2HG2 THR 64 2HG2 THR 64 -8.315 9.856 -3.312 540 3HG2 THR 64 3HG2 THR 64 -8.777 8.973 -4.765 541 H GLU 65 H GLU 65 -4.866 8.951 -1.955 542 HA GLU 65 HA GLU 65 -5.455 11.781 -1.734 543 1HB GLU 65 1HB GLU 65 -3.682 10.229 0.135 544 2HB GLU 65 2HB GLU 65 -4.662 11.647 0.478 545 1HG GLU 65 1HG GLU 65 -6.101 9.210 -0.366 546 2HG GLU 65 2HG GLU 65 -5.344 9.184 1.223 547 H VAL 66 H VAL 66 -2.794 9.652 -2.505 548 HA VAL 66 HA VAL 66 -0.629 11.313 -2.194 549 HB VAL 66 HB VAL 66 -1.095 9.205 -4.281 550 1HG1 VAL 66 1HG1 VAL 66 0.890 11.168 -4.381 551 2HG1 VAL 66 2HG1 VAL 66 1.684 9.739 -3.725 552 3HG1 VAL 66 3HG1 VAL 66 0.848 9.649 -5.274 553 1HG2 VAL 66 1HG2 VAL 66 -1.053 8.535 -1.883 554 2HG2 VAL 66 2HG2 VAL 66 0.234 7.809 -2.843 555 3HG2 VAL 66 3HG2 VAL 66 0.587 9.170 -1.779 556 H TYR 67 H TYR 67 -2.801 11.058 -4.980 557 HA TYR 67 HA TYR 67 -1.479 12.872 -6.653 558 1HB TYR 67 1HB TYR 67 -3.775 11.324 -6.807 559 2HB TYR 67 2HB TYR 67 -4.390 12.972 -6.891 560 HD1 TYR 67 HD1 TYR 67 -2.828 10.308 -8.692 561 HD2 TYR 67 HD2 TYR 67 -3.377 14.526 -8.652 562 HE1 TYR 67 HE1 TYR 67 -2.220 10.403 -11.073 563 HE2 TYR 67 HE2 TYR 67 -2.769 14.634 -11.032 564 HH TYR 67 HH TYR 67 -2.396 11.776 -12.969 565 H ASN 68 H ASN 68 -3.616 13.344 -3.945 566 HA ASN 68 HA ASN 68 -3.901 16.188 -4.482 567 1HB ASN 68 1HB ASN 68 -5.112 14.268 -2.533 568 2HB ASN 68 2HB ASN 68 -5.149 15.992 -2.175 569 1HD2 ASN 68 1HD2 ASN 68 -7.869 14.432 -4.574 570 2HD2 ASN 68 2HD2 ASN 68 -6.845 13.543 -3.505 571 H LEU 69 H LEU 69 -1.947 14.070 -2.550 572 HA LEU 69 HA LEU 69 -1.252 15.805 -0.466 573 1HB LEU 69 1HB LEU 69 0.340 14.272 0.125 574 2HB LEU 69 2HB LEU 69 -0.691 13.275 -0.880 575 HG LEU 69 HG LEU 69 0.973 13.929 -2.787 576 1HD1 LEU 69 1HD1 LEU 69 2.896 14.932 -2.266 577 2HD1 LEU 69 2HD1 LEU 69 2.105 15.403 -0.761 578 3HD1 LEU 69 3HD1 LEU 69 3.116 13.957 -0.813 579 1HD2 LEU 69 1HD2 LEU 69 1.321 11.750 -2.546 580 2HD2 LEU 69 2HD2 LEU 69 2.551 12.117 -1.340 581 3HD2 LEU 69 3HD2 LEU 69 0.886 11.818 -0.839 582 H ARG 70 H ARG 70 -0.087 15.581 -3.760 583 HA ARG 70 HA ARG 70 2.123 17.337 -3.343 584 1HB ARG 70 1HB ARG 70 0.826 16.511 -5.938 585 2HB ARG 70 2HB ARG 70 2.399 17.278 -5.771 586 1HG ARG 70 1HG ARG 70 3.112 15.288 -4.415 587 2HG ARG 70 2HG ARG 70 1.597 14.519 -4.892 588 1HD ARG 70 1HD ARG 70 2.782 13.750 -6.632 589 2HD ARG 70 2HD ARG 70 2.546 15.365 -7.293 590 HE ARG 70 HE ARG 70 4.976 14.380 -5.966 591 1HH1 ARG 70 1HH1 ARG 70 4.838 17.587 -8.364 592 2HH1 ARG 70 2HH1 ARG 70 3.365 16.796 -7.919 593 1HH2 ARG 70 1HH2 ARG 70 6.841 16.818 -7.589 594 2HH2 ARG 70 2HH2 ARG 70 6.902 15.433 -6.552 595 H MET 71 H MET 71 -1.002 17.961 -3.212 596 HA MET 71 HA MET 71 -0.706 20.674 -4.310 597 1HB MET 71 1HB MET 71 -3.296 19.149 -4.004 598 2HB MET 71 2HB MET 71 -3.077 20.716 -4.772 599 1HG MET 71 1HG MET 71 -1.364 19.188 -6.211 600 2HG MET 71 2HG MET 71 -2.618 18.015 -5.814 601 1HE MET 71 1HE MET 71 -5.125 18.341 -8.164 602 2HE MET 71 2HE MET 71 -4.564 17.739 -6.605 603 3HE MET 71 3HE MET 71 -5.668 19.113 -6.676 604 H ASN 72 H ASN 72 -2.160 18.696 -1.761 605 HA ASN 72 HA ASN 72 -3.105 20.878 -0.209 606 1HB ASN 72 1HB ASN 72 -2.462 18.041 0.624 607 2HB ASN 72 2HB ASN 72 -3.365 19.204 1.589 608 1HD2 ASN 72 1HD2 ASN 72 -5.559 16.874 -0.437 609 2HD2 ASN 72 2HD2 ASN 72 -4.135 16.589 0.500 610 H LEU 73 H LEU 73 -2.058 22.190 1.141 611 HA LEU 73 HA LEU 73 0.544 21.353 2.209 612 1HB LEU 73 1HB LEU 73 0.019 24.105 1.095 613 2HB LEU 73 2HB LEU 73 1.539 23.487 1.713 614 HG LEU 73 HG LEU 73 0.514 21.871 -0.484 615 1HD1 LEU 73 1HD1 LEU 73 -0.415 24.050 -1.166 616 2HD1 LEU 73 2HD1 LEU 73 1.205 24.741 -1.087 617 3HD1 LEU 73 3HD1 LEU 73 0.844 23.471 -2.256 618 1HD2 LEU 73 1HD2 LEU 73 2.699 21.436 -0.333 619 2HD2 LEU 73 2HD2 LEU 73 2.940 22.945 -1.213 620 3HD2 LEU 73 3HD2 LEU 73 3.025 22.928 0.549 621 H GLY 74 H GLY 74 -0.543 20.998 4.196 622 1HA GLY 74 1HA GLY 74 -1.017 21.650 6.355 623 2HA GLY 74 2HA GLY 74 -0.610 23.296 5.890 624 H GLY 75 H GLY 75 -2.733 22.605 7.622 625 1HA GLY 75 1HA GLY 75 -4.773 24.223 6.820 626 2HA GLY 75 2HA GLY 75 -5.207 22.657 6.153 627 H THR 76 H THR 76 -6.192 21.203 7.434 628 HA THR 76 HA THR 76 -7.125 22.017 9.990 629 HB THR 76 HB THR 76 -8.434 20.559 8.500 630 HG1 THR 76 HG1 THR 76 -7.736 19.399 10.990 631 1HG2 THR 76 1HG2 THR 76 -6.368 19.186 7.804 632 2HG2 THR 76 2HG2 THR 76 -6.708 18.245 9.256 633 3HG2 THR 76 3HG2 THR 76 -7.922 18.372 7.982 634 H GLY 77 H GLY 77 -6.512 21.421 12.022 635 1HA GLY 77 1HA GLY 77 -5.106 19.355 12.989 636 2HA GLY 77 2HA GLY 77 -3.830 20.331 12.277 637 H PHE 78 H PHE 78 -4.988 22.878 12.889 638 HA PHE 78 HA PHE 78 -5.393 22.997 15.738 639 1HB PHE 78 1HB PHE 78 -2.776 22.912 14.974 640 2HB PHE 78 2HB PHE 78 -3.074 24.648 14.972 641 HD1 PHE 78 HD1 PHE 78 -3.482 21.622 17.096 642 HD2 PHE 78 HD2 PHE 78 -2.943 25.840 16.949 643 HE1 PHE 78 HE1 PHE 78 -3.198 21.665 19.540 644 HE2 PHE 78 HE2 PHE 78 -2.658 25.892 19.393 645 HZ PHE 78 HZ PHE 78 -2.786 23.804 20.692 646 H GLN 79 H GLN 79 -7.114 24.304 15.671 647 HA GLN 79 HA GLN 79 -7.185 26.559 13.836 648 1HB GLN 79 1HB GLN 79 -9.160 25.011 14.316 649 2HB GLN 79 2HB GLN 79 -9.288 25.829 15.867 650 1HG GLN 79 1HG GLN 79 -10.097 27.736 14.957 651 2HG GLN 79 2HG GLN 79 -9.190 27.537 13.458 652 1HE2 GLN 79 1HE2 GLN 79 -11.642 25.431 11.947 653 2HE2 GLN 79 2HE2 GLN 79 -9.936 25.653 12.096 Start of MODEL 19 1 1H MET 1 1H MET 1 -17.811 4.061 0.763 2 2H MET 1 2H MET 1 -18.116 5.745 0.879 3 3H MET 1 3H MET 1 -19.306 4.700 0.219 4 HA MET 1 HA MET 1 -17.736 4.131 -1.549 5 1HB MET 1 1HB MET 1 -19.610 5.841 -1.637 6 2HB MET 1 2HB MET 1 -18.384 7.075 -1.373 7 1HG MET 1 1HG MET 1 -17.706 5.261 -3.538 8 2HG MET 1 2HG MET 1 -19.228 6.109 -3.803 9 1HE MET 1 1HE MET 1 -18.438 7.271 -5.876 10 2HE MET 1 2HE MET 1 -19.290 8.465 -4.896 11 3HE MET 1 3HE MET 1 -17.796 8.906 -5.721 12 H ASP 2 H ASP 2 -16.782 7.011 0.326 13 HA ASP 2 HA ASP 2 -14.422 7.632 -0.944 14 1HB ASP 2 1HB ASP 2 -15.722 8.453 1.375 15 2HB ASP 2 2HB ASP 2 -14.162 7.874 1.949 16 H ARG 3 H ARG 3 -12.592 6.570 -1.281 17 HA ARG 3 HA ARG 3 -12.020 4.180 0.294 18 1HB ARG 3 1HB ARG 3 -10.809 5.233 -2.269 19 2HB ARG 3 2HB ARG 3 -10.287 3.762 -1.460 20 1HG ARG 3 1HG ARG 3 -11.809 2.644 -2.609 21 2HG ARG 3 2HG ARG 3 -13.067 3.534 -1.749 22 1HD ARG 3 1HD ARG 3 -13.415 4.988 -3.476 23 2HD ARG 3 2HD ARG 3 -11.753 4.867 -4.055 24 HE ARG 3 HE ARG 3 -12.436 3.219 -5.468 25 1HH1 ARG 3 1HH1 ARG 3 -15.818 2.268 -3.546 26 2HH1 ARG 3 2HH1 ARG 3 -14.741 3.435 -2.858 27 1HH2 ARG 3 1HH2 ARG 3 -15.316 1.271 -5.542 28 2HH2 ARG 3 2HH2 ARG 3 -13.854 1.682 -6.376 29 H VAL 4 H VAL 4 -11.249 5.076 2.205 30 HA VAL 4 HA VAL 4 -8.589 6.313 1.977 31 HB VAL 4 HB VAL 4 -9.090 7.626 4.038 32 1HG1 VAL 4 1HG1 VAL 4 -9.384 8.368 1.545 33 2HG1 VAL 4 2HG1 VAL 4 -11.093 8.429 1.980 34 3HG1 VAL 4 3HG1 VAL 4 -9.923 9.413 2.859 35 1HG2 VAL 4 1HG2 VAL 4 -11.953 6.863 3.481 36 2HG2 VAL 4 2HG2 VAL 4 -10.980 6.225 4.806 37 3HG2 VAL 4 3HG2 VAL 4 -11.372 7.943 4.747 38 H LEU 5 H LEU 5 -7.061 5.305 3.054 39 HA LEU 5 HA LEU 5 -7.732 3.068 4.780 40 1HB LEU 5 1HB LEU 5 -5.548 2.341 4.470 41 2HB LEU 5 2HB LEU 5 -5.979 3.028 2.940 42 HG LEU 5 HG LEU 5 -4.406 4.573 4.983 43 1HD1 LEU 5 1HD1 LEU 5 -2.395 3.962 3.732 44 2HD1 LEU 5 2HD1 LEU 5 -3.145 2.542 4.455 45 3HD1 LEU 5 3HD1 LEU 5 -3.346 2.862 2.734 46 1HD2 LEU 5 1HD2 LEU 5 -5.357 4.932 2.243 47 2HD2 LEU 5 2HD2 LEU 5 -5.005 6.128 3.489 48 3HD2 LEU 5 3HD2 LEU 5 -3.695 5.430 2.537 49 H SER 6 H SER 6 -7.180 2.855 6.914 50 HA SER 6 HA SER 6 -6.891 5.346 8.361 51 1HB SER 6 1HB SER 6 -7.510 4.127 10.301 52 2HB SER 6 2HB SER 6 -8.487 3.456 8.994 53 HG SER 6 HG SER 6 -6.921 2.137 10.603 54 H ARG 7 H ARG 7 -5.550 4.817 10.587 55 HA ARG 7 HA ARG 7 -2.866 5.111 9.893 56 1HB ARG 7 1HB ARG 7 -3.978 4.163 12.542 57 2HB ARG 7 2HB ARG 7 -2.387 4.862 12.277 58 1HG ARG 7 1HG ARG 7 -3.936 6.825 11.280 59 2HG ARG 7 2HG ARG 7 -5.013 6.163 12.510 60 1HD ARG 7 1HD ARG 7 -3.113 6.356 14.139 61 2HD ARG 7 2HD ARG 7 -2.221 7.230 12.893 62 HE ARG 7 HE ARG 7 -4.803 8.357 13.405 63 1HH1 ARG 7 1HH1 ARG 7 -1.569 9.811 15.269 64 2HH1 ARG 7 2HH1 ARG 7 -1.492 8.258 14.509 65 1HH2 ARG 7 1HH2 ARG 7 -3.503 11.029 15.209 66 2HH2 ARG 7 2HH2 ARG 7 -4.901 10.402 14.402 67 H ALA 8 H ALA 8 -4.695 2.254 10.838 68 HA ALA 8 HA ALA 8 -2.530 0.483 11.123 69 1HB ALA 8 1HB ALA 8 -5.426 0.014 10.456 70 2HB ALA 8 2HB ALA 8 -4.269 -1.293 10.715 71 3HB ALA 8 3HB ALA 8 -4.628 -0.160 12.019 72 H ASP 9 H ASP 9 -4.500 1.373 8.309 73 HA ASP 9 HA ASP 9 -3.411 -0.534 6.540 74 1HB ASP 9 1HB ASP 9 -4.766 2.117 6.112 75 2HB ASP 9 2HB ASP 9 -4.245 1.119 4.777 76 H LYS 10 H LYS 10 -2.725 2.972 6.781 77 HA LYS 10 HA LYS 10 -0.561 2.980 5.017 78 1HB LYS 10 1HB LYS 10 0.141 5.082 6.234 79 2HB LYS 10 2HB LYS 10 -1.497 5.074 5.605 80 1HG LYS 10 1HG LYS 10 -1.905 5.932 7.655 81 2HG LYS 10 2HG LYS 10 -2.040 4.220 8.045 82 1HD LYS 10 1HD LYS 10 -0.632 4.913 9.719 83 2HD LYS 10 2HD LYS 10 0.544 4.453 8.487 84 1HE LYS 10 1HE LYS 10 1.392 6.501 8.803 85 2HE LYS 10 2HE LYS 10 0.029 7.052 7.831 86 1HZ LYS 10 1HZ LYS 10 0.488 8.101 10.144 87 2HZ LYS 10 2HZ LYS 10 -1.104 7.784 9.668 88 3HZ LYS 10 3HZ LYS 10 -0.313 6.733 10.733 89 H GLU 11 H GLU 11 -0.713 2.327 8.463 90 HA GLU 11 HA GLU 11 2.073 2.257 8.940 91 1HB GLU 11 1HB GLU 11 0.436 2.420 10.759 92 2HB GLU 11 2HB GLU 11 -0.162 0.811 10.379 93 1HG GLU 11 1HG GLU 11 2.455 0.280 10.743 94 2HG GLU 11 2HG GLU 11 2.247 1.641 11.843 95 H ARG 12 H ARG 12 -0.256 -0.156 7.885 96 HA ARG 12 HA ARG 12 1.596 -2.344 7.969 97 1HB ARG 12 1HB ARG 12 -0.794 -2.759 8.182 98 2HB ARG 12 2HB ARG 12 -1.087 -2.043 6.605 99 1HG ARG 12 1HG ARG 12 -1.182 -4.457 6.482 100 2HG ARG 12 2HG ARG 12 0.184 -3.844 5.548 101 1HD ARG 12 1HD ARG 12 1.741 -4.631 7.062 102 2HD ARG 12 2HD ARG 12 0.583 -4.667 8.392 103 HE ARG 12 HE ARG 12 -0.409 -6.537 6.755 104 1HH1 ARG 12 1HH1 ARG 12 3.265 -7.669 7.881 105 2HH1 ARG 12 2HH1 ARG 12 2.836 -5.994 7.931 106 1HH2 ARG 12 1HH2 ARG 12 1.746 -9.228 7.177 107 2HH2 ARG 12 2HH2 ARG 12 0.158 -8.739 6.690 108 H LEU 13 H LEU 13 0.516 -0.014 5.596 109 HA LEU 13 HA LEU 13 1.572 -1.222 3.284 110 1HB LEU 13 1HB LEU 13 -0.006 0.561 3.077 111 2HB LEU 13 2HB LEU 13 0.998 1.643 4.017 112 HG LEU 13 HG LEU 13 2.670 1.119 1.953 113 1HD1 LEU 13 1HD1 LEU 13 0.559 -0.171 1.015 114 2HD1 LEU 13 2HD1 LEU 13 0.109 1.453 0.496 115 3HD1 LEU 13 3HD1 LEU 13 1.633 0.747 -0.040 116 1HD2 LEU 13 1HD2 LEU 13 1.595 3.284 3.002 117 2HD2 LEU 13 2HD2 LEU 13 2.372 3.318 1.418 118 3HD2 LEU 13 3HD2 LEU 13 0.613 3.224 1.537 119 H LEU 14 H LEU 14 2.952 0.821 5.766 120 HA LEU 14 HA LEU 14 5.413 1.338 4.432 121 1HB LEU 14 1HB LEU 14 4.456 1.594 7.262 122 2HB LEU 14 2HB LEU 14 6.141 1.868 6.859 123 HG LEU 14 HG LEU 14 3.777 3.404 5.783 124 1HD1 LEU 14 1HD1 LEU 14 5.997 4.207 7.656 125 2HD1 LEU 14 2HD1 LEU 14 4.740 5.272 7.029 126 3HD1 LEU 14 3HD1 LEU 14 4.312 3.936 8.097 127 1HD2 LEU 14 1HD2 LEU 14 6.420 3.046 4.725 128 2HD2 LEU 14 2HD2 LEU 14 5.073 3.977 4.076 129 3HD2 LEU 14 3HD2 LEU 14 6.190 4.722 5.219 130 H GLU 15 H GLU 15 4.349 -1.044 6.822 131 HA GLU 15 HA GLU 15 6.809 -2.212 7.400 132 1HB GLU 15 1HB GLU 15 4.022 -3.357 7.341 133 2HB GLU 15 2HB GLU 15 5.412 -4.292 7.873 134 1HG GLU 15 1HG GLU 15 5.810 -2.284 9.476 135 2HG GLU 15 2HG GLU 15 4.112 -1.936 9.156 136 H LEU 16 H LEU 16 4.752 -2.531 4.612 137 HA LEU 16 HA LEU 16 6.240 -4.809 3.589 138 1HB LEU 16 1HB LEU 16 3.930 -3.229 2.474 139 2HB LEU 16 2HB LEU 16 4.689 -4.563 1.629 140 HG LEU 16 HG LEU 16 3.586 -4.978 4.381 141 1HD1 LEU 16 1HD1 LEU 16 2.025 -4.935 1.808 142 2HD1 LEU 16 2HD1 LEU 16 1.462 -5.704 3.292 143 3HD1 LEU 16 3HD1 LEU 16 1.744 -3.964 3.253 144 1HD2 LEU 16 1HD2 LEU 16 4.883 -6.582 2.489 145 2HD2 LEU 16 2HD2 LEU 16 4.091 -7.101 3.975 146 3HD2 LEU 16 3HD2 LEU 16 3.192 -7.079 2.459 147 H LEU 17 H LEU 17 6.174 -1.365 3.276 148 HA LEU 17 HA LEU 17 7.683 -1.353 0.806 149 1HB LEU 17 1HB LEU 17 6.358 0.670 2.495 150 2HB LEU 17 2HB LEU 17 7.760 1.210 1.594 151 HG LEU 17 HG LEU 17 6.703 0.531 -0.501 152 1HD1 LEU 17 1HD1 LEU 17 5.018 -0.977 1.218 153 2HD1 LEU 17 2HD1 LEU 17 4.018 0.161 0.315 154 3HD1 LEU 17 3HD1 LEU 17 5.074 -0.961 -0.543 155 1HD2 LEU 17 1HD2 LEU 17 4.900 2.198 -0.519 156 2HD2 LEU 17 2HD2 LEU 17 4.964 2.268 1.242 157 3HD2 LEU 17 3HD2 LEU 17 6.352 2.791 0.287 158 H LYS 18 H LYS 18 8.521 -1.891 3.956 159 HA LYS 18 HA LYS 18 10.475 -1.731 5.133 160 1HB LYS 18 1HB LYS 18 11.190 -2.176 2.349 161 2HB LYS 18 2HB LYS 18 12.442 -1.305 3.218 162 1HG LYS 18 1HG LYS 18 13.011 -3.559 3.450 163 2HG LYS 18 2HG LYS 18 12.257 -3.130 4.986 164 1HD LYS 18 1HD LYS 18 10.115 -3.959 3.488 165 2HD LYS 18 2HD LYS 18 11.403 -5.033 2.937 166 1HE LYS 18 1HE LYS 18 10.770 -4.559 5.842 167 2HE LYS 18 2HE LYS 18 10.048 -5.859 4.896 168 1HZ LYS 18 1HZ LYS 18 12.925 -5.479 5.514 169 2HZ LYS 18 2HZ LYS 18 11.919 -6.728 6.049 170 3HZ LYS 18 3HZ LYS 18 12.345 -6.629 4.416 171 H LEU 19 H LEU 19 8.989 0.700 4.140 172 HA LEU 19 HA LEU 19 11.091 2.726 4.378 173 1HB LEU 19 1HB LEU 19 9.708 2.755 2.335 174 2HB LEU 19 2HB LEU 19 8.270 2.925 3.319 175 HG LEU 19 HG LEU 19 10.227 5.009 3.867 176 1HD1 LEU 19 1HD1 LEU 19 9.129 5.857 1.419 177 2HD1 LEU 19 2HD1 LEU 19 10.826 5.580 1.808 178 3HD1 LEU 19 3HD1 LEU 19 9.855 4.278 1.123 179 1HD2 LEU 19 1HD2 LEU 19 8.143 5.478 4.687 180 2HD2 LEU 19 2HD2 LEU 19 8.055 6.311 3.133 181 3HD2 LEU 19 3HD2 LEU 19 7.317 4.723 3.323 182 HA PRO 20 HA PRO 20 9.635 2.991 8.660 183 1HB PRO 20 1HB PRO 20 11.109 5.567 8.332 184 2HB PRO 20 2HB PRO 20 11.182 4.389 9.647 185 1HG PRO 20 1HG PRO 20 13.107 4.526 7.800 186 2HG PRO 20 2HG PRO 20 12.586 2.974 8.480 187 1HD PRO 20 1HD PRO 20 12.082 4.131 5.800 188 2HD PRO 20 2HD PRO 20 12.178 2.432 6.298 189 H ARG 21 H ARG 21 8.510 4.646 9.956 190 HA ARG 21 HA ARG 21 6.500 5.998 8.345 191 1HB ARG 21 1HB ARG 21 6.499 5.991 11.340 192 2HB ARG 21 2HB ARG 21 5.135 6.006 10.230 193 1HG ARG 21 1HG ARG 21 5.783 3.646 9.602 194 2HG ARG 21 2HG ARG 21 6.893 3.685 10.972 195 1HD ARG 21 1HD ARG 21 4.386 4.640 11.876 196 2HD ARG 21 2HD ARG 21 4.088 3.170 10.951 197 HE ARG 21 HE ARG 21 6.053 2.343 12.506 198 1HH1 ARG 21 1HH1 ARG 21 3.199 3.706 14.967 199 2HH1 ARG 21 2HH1 ARG 21 3.278 4.295 13.342 200 1HH2 ARG 21 1HH2 ARG 21 4.707 2.158 15.705 201 2HH2 ARG 21 2HH2 ARG 21 5.942 1.566 14.644 202 H GLN 22 H GLN 22 9.407 6.747 9.818 203 HA GLN 22 HA GLN 22 8.861 9.349 10.810 204 1HB GLN 22 1HB GLN 22 10.832 7.787 11.336 205 2HB GLN 22 2HB GLN 22 11.543 8.392 9.848 206 1HG GLN 22 1HG GLN 22 10.673 10.616 11.385 207 2HG GLN 22 2HG GLN 22 11.600 9.541 12.431 208 1HE2 GLN 22 1HE2 GLN 22 14.492 9.774 10.170 209 2HE2 GLN 22 2HE2 GLN 22 13.467 8.522 10.775 210 H LEU 23 H LEU 23 9.788 8.077 7.698 211 HA LEU 23 HA LEU 23 10.016 10.797 6.646 212 1HB LEU 23 1HB LEU 23 11.199 9.918 4.784 213 2HB LEU 23 2HB LEU 23 11.887 9.217 6.231 214 HG LEU 23 HG LEU 23 11.808 7.555 4.494 215 1HD1 LEU 23 1HD1 LEU 23 10.772 5.770 5.607 216 2HD1 LEU 23 2HD1 LEU 23 11.223 6.912 6.881 217 3HD1 LEU 23 3HD1 LEU 23 9.552 6.826 6.324 218 1HD2 LEU 23 1HD2 LEU 23 8.842 7.616 4.378 219 2HD2 LEU 23 2HD2 LEU 23 9.773 8.769 3.417 220 3HD2 LEU 23 3HD2 LEU 23 10.011 7.041 3.192 221 H TRP 24 H TRP 24 7.574 8.905 7.211 222 HA TRP 24 HA TRP 24 6.201 8.296 4.905 223 1HB TRP 24 1HB TRP 24 5.398 7.664 7.100 224 2HB TRP 24 2HB TRP 24 5.161 9.348 7.542 225 HD1 TRP 24 HD1 TRP 24 2.877 10.442 6.933 226 HE1 TRP 24 HE1 TRP 24 0.706 9.565 5.865 227 HE3 TRP 24 HE3 TRP 24 4.579 5.944 5.200 228 HZ2 TRP 24 HZ2 TRP 24 -0.173 7.266 4.480 229 HZ3 TRP 24 HZ3 TRP 24 3.009 4.463 4.013 230 HH2 TRP 24 HH2 TRP 24 0.684 5.118 3.658 231 H GLY 25 H GLY 25 5.978 9.593 3.180 232 1HA GLY 25 1HA GLY 25 4.272 11.511 2.683 233 2HA GLY 25 2HA GLY 25 5.442 12.450 3.598 234 H ASP 26 H ASP 26 7.642 10.733 2.418 235 HA ASP 26 HA ASP 26 8.141 12.419 0.145 236 1HB ASP 26 1HB ASP 26 9.819 11.440 1.903 237 2HB ASP 26 2HB ASP 26 9.835 10.046 0.828 238 H PHE 27 H PHE 27 6.671 11.918 -1.455 239 HA PHE 27 HA PHE 27 5.823 9.441 -2.302 240 1HB PHE 27 1HB PHE 27 4.883 11.590 -3.079 241 2HB PHE 27 2HB PHE 27 6.319 11.839 -4.068 242 HD1 PHE 27 HD1 PHE 27 5.704 11.673 -6.279 243 HD2 PHE 27 HD2 PHE 27 4.191 8.831 -3.495 244 HE1 PHE 27 HE1 PHE 27 4.653 10.430 -8.124 245 HE2 PHE 27 HE2 PHE 27 3.138 7.583 -5.337 246 HZ PHE 27 HZ PHE 27 3.369 8.382 -7.655 247 H GLY 28 H GLY 28 8.739 11.180 -3.291 248 1HA GLY 28 1HA GLY 28 9.495 9.394 -5.344 249 2HA GLY 28 2HA GLY 28 10.562 10.517 -4.517 250 H ARG 29 H ARG 29 10.241 9.420 -1.884 251 HA ARG 29 HA ARG 29 12.123 7.262 -2.116 252 1HB ARG 29 1HB ARG 29 11.242 9.089 -0.056 253 2HB ARG 29 2HB ARG 29 11.334 7.447 0.565 254 1HG ARG 29 1HG ARG 29 13.593 8.690 -0.969 255 2HG ARG 29 2HG ARG 29 13.406 8.907 0.772 256 1HD ARG 29 1HD ARG 29 13.428 6.460 1.054 257 2HD ARG 29 2HD ARG 29 13.677 6.277 -0.681 258 HE ARG 29 HE ARG 29 15.635 7.053 1.290 259 1HH1 ARG 29 1HH1 ARG 29 16.436 7.214 -2.630 260 2HH1 ARG 29 2HH1 ARG 29 14.798 7.049 -2.099 261 1HH2 ARG 29 1HH2 ARG 29 18.135 7.342 -1.106 262 2HH2 ARG 29 2HH2 ARG 29 17.790 7.275 0.590 263 H MET 30 H MET 30 8.724 7.565 -1.201 264 HA MET 30 HA MET 30 8.451 4.904 -0.255 265 1HB MET 30 1HB MET 30 6.024 5.289 -0.453 266 2HB MET 30 2HB MET 30 6.845 6.597 0.388 267 1HG MET 30 1HG MET 30 6.781 7.944 -1.640 268 2HG MET 30 2HG MET 30 5.972 6.632 -2.490 269 1HE MET 30 1HE MET 30 4.365 9.022 1.026 270 2HE MET 30 2HE MET 30 4.568 7.306 1.375 271 3HE MET 30 3HE MET 30 5.949 8.268 0.849 272 H GLN 31 H GLN 31 7.758 6.427 -3.391 273 HA GLN 31 HA GLN 31 6.732 4.136 -4.650 274 1HB GLN 31 1HB GLN 31 6.678 6.558 -5.475 275 2HB GLN 31 2HB GLN 31 8.312 6.278 -6.065 276 1HG GLN 31 1HG GLN 31 7.524 4.499 -7.501 277 2HG GLN 31 2HG GLN 31 5.889 4.680 -6.864 278 1HE2 GLN 31 1HE2 GLN 31 7.319 7.785 -9.120 279 2HE2 GLN 31 2HE2 GLN 31 8.327 7.015 -7.948 280 H GLN 32 H GLN 32 10.015 5.314 -4.204 281 HA GLN 32 HA GLN 32 11.328 3.524 -5.932 282 1HB GLN 32 1HB GLN 32 12.094 5.597 -4.285 283 2HB GLN 32 2HB GLN 32 12.807 4.199 -3.491 284 1HG GLN 32 1HG GLN 32 14.481 4.896 -4.914 285 2HG GLN 32 2HG GLN 32 13.704 3.606 -5.830 286 1HE2 GLN 32 1HE2 GLN 32 13.655 7.440 -7.142 287 2HE2 GLN 32 2HE2 GLN 32 14.261 7.016 -5.582 288 H ALA 33 H ALA 33 10.567 3.329 -2.477 289 HA ALA 33 HA ALA 33 11.704 0.733 -2.135 290 1HB ALA 33 1HB ALA 33 11.250 2.551 -0.359 291 2HB ALA 33 2HB ALA 33 9.617 1.886 -0.322 292 3HB ALA 33 3HB ALA 33 10.996 0.861 0.075 293 H TYR 34 H TYR 34 8.539 1.975 -2.972 294 HA TYR 34 HA TYR 34 7.053 -0.373 -2.509 295 1HB TYR 34 1HB TYR 34 5.942 1.770 -2.825 296 2HB TYR 34 2HB TYR 34 6.560 1.880 -4.472 297 HD1 TYR 34 HD1 TYR 34 5.828 0.068 -6.127 298 HD2 TYR 34 HD2 TYR 34 3.869 0.749 -2.405 299 HE1 TYR 34 HE1 TYR 34 3.845 -1.121 -6.961 300 HE2 TYR 34 HE2 TYR 34 1.892 -0.456 -3.233 301 HH TYR 34 HH TYR 34 1.441 -2.262 -5.028 302 H LYS 35 H LYS 35 8.714 0.844 -5.399 303 HA LYS 35 HA LYS 35 7.921 -1.241 -7.123 304 1HB LYS 35 1HB LYS 35 9.430 1.101 -7.336 305 2HB LYS 35 2HB LYS 35 10.551 -0.187 -7.756 306 1HG LYS 35 1HG LYS 35 9.642 -0.388 -9.763 307 2HG LYS 35 2HG LYS 35 8.044 -0.641 -9.060 308 1HD LYS 35 1HD LYS 35 7.542 1.652 -9.095 309 2HD LYS 35 2HD LYS 35 9.234 2.105 -9.319 310 1HE LYS 35 1HE LYS 35 8.288 2.417 -11.428 311 2HE LYS 35 2HE LYS 35 9.070 0.843 -11.546 312 1HZ LYS 35 1HZ LYS 35 7.122 0.043 -12.191 313 2HZ LYS 35 2HZ LYS 35 6.509 0.350 -10.645 314 3HZ LYS 35 3HZ LYS 35 6.333 1.505 -11.867 315 H GLN 36 H GLN 36 10.759 -0.833 -5.044 316 HA GLN 36 HA GLN 36 12.104 -3.174 -5.869 317 1HB GLN 36 1HB GLN 36 12.245 -1.659 -3.258 318 2HB GLN 36 2HB GLN 36 13.362 -2.931 -3.734 319 1HG GLN 36 1HG GLN 36 14.210 -1.626 -5.529 320 2HG GLN 36 2HG GLN 36 12.947 -0.414 -5.321 321 1HE2 GLN 36 1HE2 GLN 36 15.926 1.013 -3.800 322 2HE2 GLN 36 2HE2 GLN 36 15.344 0.596 -5.371 323 H GLN 37 H GLN 37 9.559 -2.582 -3.554 324 HA GLN 37 HA GLN 37 9.758 -5.247 -2.425 325 1HB GLN 37 1HB GLN 37 7.846 -2.962 -1.924 326 2HB GLN 37 2HB GLN 37 7.746 -4.516 -1.104 327 1HG GLN 37 1HG GLN 37 10.139 -2.696 -1.023 328 2HG GLN 37 2HG GLN 37 8.885 -2.760 0.211 329 1HE2 GLN 37 1HE2 GLN 37 11.971 -5.136 0.557 330 2HE2 GLN 37 2HE2 GLN 37 11.896 -3.651 -0.322 331 H SER 38 H SER 38 8.049 -3.629 -4.936 332 HA SER 38 HA SER 38 5.841 -5.454 -5.071 333 1HB SER 38 1HB SER 38 6.855 -3.188 -6.730 334 2HB SER 38 2HB SER 38 5.763 -4.346 -7.490 335 HG SER 38 HG SER 38 5.298 -2.631 -5.304 336 H LEU 39 H LEU 39 9.039 -5.248 -6.441 337 HA LEU 39 HA LEU 39 8.651 -7.191 -8.488 338 1HB LEU 39 1HB LEU 39 10.857 -5.610 -7.406 339 2HB LEU 39 2HB LEU 39 11.351 -7.215 -7.910 340 HG LEU 39 HG LEU 39 9.707 -5.590 -9.792 341 1HD1 LEU 39 1HD1 LEU 39 12.159 -4.648 -8.694 342 2HD1 LEU 39 2HD1 LEU 39 12.437 -5.116 -10.372 343 3HD1 LEU 39 3HD1 LEU 39 11.180 -3.945 -9.981 344 1HD2 LEU 39 1HD2 LEU 39 10.480 -8.008 -10.116 345 2HD2 LEU 39 2HD2 LEU 39 10.768 -6.874 -11.435 346 3HD2 LEU 39 3HD2 LEU 39 12.088 -7.327 -10.358 347 H LEU 40 H LEU 40 9.700 -7.309 -5.131 348 HA LEU 40 HA LEU 40 10.375 -10.116 -5.303 349 1HB LEU 40 1HB LEU 40 10.920 -9.955 -2.949 350 2HB LEU 40 2HB LEU 40 11.668 -8.648 -3.843 351 HG LEU 40 HG LEU 40 9.504 -7.333 -3.059 352 1HD1 LEU 40 1HD1 LEU 40 9.787 -9.575 -1.076 353 2HD1 LEU 40 2HD1 LEU 40 9.013 -8.039 -0.686 354 3HD1 LEU 40 3HD1 LEU 40 8.342 -9.069 -1.951 355 1HD2 LEU 40 1HD2 LEU 40 12.054 -7.896 -1.599 356 2HD2 LEU 40 2HD2 LEU 40 11.568 -6.449 -2.482 357 3HD2 LEU 40 3HD2 LEU 40 10.849 -6.808 -0.911 358 H LEU 41 H LEU 41 7.551 -8.309 -4.832 359 HA LEU 41 HA LEU 41 6.228 -10.394 -3.276 360 1HB LEU 41 1HB LEU 41 5.453 -7.634 -4.159 361 2HB LEU 41 2HB LEU 41 4.240 -8.761 -3.586 362 HG LEU 41 HG LEU 41 6.639 -7.876 -1.983 363 1HD1 LEU 41 1HD1 LEU 41 5.007 -6.566 -0.680 364 2HD1 LEU 41 2HD1 LEU 41 5.165 -5.998 -2.342 365 3HD1 LEU 41 3HD1 LEU 41 3.769 -6.965 -1.871 366 1HD2 LEU 41 1HD2 LEU 41 4.552 -9.895 -1.604 367 2HD2 LEU 41 2HD2 LEU 41 6.130 -9.732 -0.834 368 3HD2 LEU 41 3HD2 LEU 41 4.758 -8.797 -0.238 369 H HIS 42 H HIS 42 7.011 -10.037 -6.408 370 HA HIS 42 HA HIS 42 4.514 -10.674 -7.671 371 1HB HIS 42 1HB HIS 42 6.607 -9.466 -8.658 372 2HB HIS 42 2HB HIS 42 7.205 -11.096 -8.931 373 HD1 HIS 42 HD1 HIS 42 6.739 -11.891 -11.198 374 HD2 HIS 42 HD2 HIS 42 3.812 -9.254 -9.894 375 HE1 HIS 42 HE1 HIS 42 5.127 -11.685 -13.114 376 HE2 HIS 42 HE2 HIS 42 3.344 -10.105 -12.292 377 HA PRO 43 HA PRO 43 4.505 -15.020 -6.892 378 1HB PRO 43 1HB PRO 43 3.145 -15.850 -9.136 379 2HB PRO 43 2HB PRO 43 2.387 -15.187 -7.684 380 1HG PRO 43 1HG PRO 43 3.036 -13.840 -10.268 381 2HG PRO 43 2HG PRO 43 1.607 -13.661 -9.235 382 1HD PRO 43 1HD PRO 43 3.585 -11.839 -9.263 383 2HD PRO 43 2HD PRO 43 2.685 -12.216 -7.783 384 H ASP 44 H ASP 44 6.021 -13.701 -9.705 385 HA ASP 44 HA ASP 44 7.012 -16.278 -10.599 386 1HB ASP 44 1HB ASP 44 7.205 -13.482 -11.605 387 2HB ASP 44 2HB ASP 44 8.457 -14.619 -12.086 388 H LYS 45 H LYS 45 7.973 -13.781 -8.451 389 HA LYS 45 HA LYS 45 10.734 -14.777 -8.396 390 1HB LYS 45 1HB LYS 45 9.463 -12.249 -7.355 391 2HB LYS 45 2HB LYS 45 11.088 -12.741 -6.898 392 1HG LYS 45 1HG LYS 45 11.242 -11.158 -8.680 393 2HG LYS 45 2HG LYS 45 11.705 -12.745 -9.302 394 1HD LYS 45 1HD LYS 45 9.721 -12.989 -10.499 395 2HD LYS 45 2HD LYS 45 8.886 -11.763 -9.545 396 1HE LYS 45 1HE LYS 45 9.282 -10.524 -11.405 397 2HE LYS 45 2HE LYS 45 10.805 -10.231 -10.569 398 1HZ LYS 45 1HZ LYS 45 11.714 -10.941 -12.467 399 2HZ LYS 45 2HZ LYS 45 11.321 -12.495 -11.930 400 3HZ LYS 45 3HZ LYS 45 10.294 -11.689 -13.003 401 H GLY 46 H GLY 46 8.415 -16.208 -7.292 402 1HA GLY 46 1HA GLY 46 8.108 -17.583 -5.467 403 2HA GLY 46 2HA GLY 46 9.561 -16.893 -4.760 404 H GLY 47 H GLY 47 6.851 -14.924 -5.787 405 1HA GLY 47 1HA GLY 47 6.433 -14.201 -2.961 406 2HA GLY 47 2HA GLY 47 6.079 -13.165 -4.333 407 H SER 48 H SER 48 4.246 -13.582 -2.307 408 HA SER 48 HA SER 48 2.327 -15.550 -3.263 409 1HB SER 48 1HB SER 48 2.830 -14.162 -0.761 410 2HB SER 48 2HB SER 48 1.127 -14.098 -1.206 411 HG SER 48 HG SER 48 1.959 -16.004 0.034 412 H HIS 49 H HIS 49 0.086 -14.965 -3.653 413 HA HIS 49 HA HIS 49 -0.120 -12.660 -5.364 414 1HB HIS 49 1HB HIS 49 -1.746 -15.047 -4.761 415 2HB HIS 49 2HB HIS 49 -2.672 -13.608 -5.169 416 HD1 HIS 49 HD1 HIS 49 -3.450 -14.501 -7.427 417 HD2 HIS 49 HD2 HIS 49 0.684 -14.386 -7.027 418 HE1 HIS 49 HE1 HIS 49 -2.541 -14.920 -9.733 419 HE2 HIS 49 HE2 HIS 49 -0.036 -14.892 -9.460 420 H ALA 50 H ALA 50 -1.693 -13.734 -2.364 421 HA ALA 50 HA ALA 50 -3.351 -11.550 -1.940 422 1HB ALA 50 1HB ALA 50 -2.788 -12.247 0.593 423 2HB ALA 50 2HB ALA 50 -3.875 -13.163 -0.451 424 3HB ALA 50 3HB ALA 50 -2.200 -13.679 -0.254 425 H LEU 51 H LEU 51 0.063 -11.958 -1.178 426 HA LEU 51 HA LEU 51 0.301 -9.594 0.387 427 1HB LEU 51 1HB LEU 51 2.120 -11.598 -0.785 428 2HB LEU 51 2HB LEU 51 2.815 -10.006 -0.552 429 HG LEU 51 HG LEU 51 1.472 -10.640 1.849 430 1HD1 LEU 51 1HD1 LEU 51 1.887 -12.779 2.385 431 2HD1 LEU 51 2HD1 LEU 51 1.920 -13.019 0.638 432 3HD1 LEU 51 3HD1 LEU 51 3.428 -12.805 1.528 433 1HD2 LEU 51 1HD2 LEU 51 4.429 -10.808 1.310 434 2HD2 LEU 51 2HD2 LEU 51 3.552 -9.284 1.455 435 3HD2 LEU 51 3HD2 LEU 51 3.625 -10.394 2.824 436 H MET 52 H MET 52 1.090 -10.360 -2.988 437 HA MET 52 HA MET 52 2.085 -7.870 -3.742 438 1HB MET 52 1HB MET 52 2.137 -10.050 -5.049 439 2HB MET 52 2HB MET 52 0.492 -9.685 -5.543 440 1HG MET 52 1HG MET 52 2.083 -9.035 -7.251 441 2HG MET 52 2HG MET 52 1.244 -7.629 -6.599 442 1HE MET 52 1HE MET 52 2.650 -6.014 -4.515 443 2HE MET 52 2HE MET 52 3.867 -5.316 -5.582 444 3HE MET 52 3HE MET 52 2.247 -5.651 -6.193 445 H GLN 53 H GLN 53 -1.244 -9.121 -3.981 446 HA GLN 53 HA GLN 53 -2.301 -6.724 -5.069 447 1HB GLN 53 1HB GLN 53 -4.517 -7.712 -4.473 448 2HB GLN 53 2HB GLN 53 -3.493 -8.765 -5.440 449 1HG GLN 53 1HG GLN 53 -3.524 -10.349 -3.893 450 2HG GLN 53 2HG GLN 53 -3.080 -9.212 -2.622 451 1HE2 GLN 53 1HE2 GLN 53 -7.074 -9.666 -3.420 452 2HE2 GLN 53 2HE2 GLN 53 -5.920 -9.651 -4.706 453 H GLU 54 H GLU 54 -1.828 -7.883 -1.791 454 HA GLU 54 HA GLU 54 -3.506 -6.049 -0.468 455 1HB GLU 54 1HB GLU 54 -1.442 -7.950 0.271 456 2HB GLU 54 2HB GLU 54 -1.334 -6.489 1.239 457 1HG GLU 54 1HG GLU 54 -3.571 -6.735 2.006 458 2HG GLU 54 2HG GLU 54 -3.874 -8.052 0.874 459 H LEU 55 H LEU 55 -0.129 -5.860 -1.481 460 HA LEU 55 HA LEU 55 0.473 -3.394 -0.275 461 1HB LEU 55 1HB LEU 55 2.242 -4.806 -0.971 462 2HB LEU 55 2HB LEU 55 1.622 -4.899 -2.607 463 HG LEU 55 HG LEU 55 2.183 -2.496 -2.908 464 1HD1 LEU 55 1HD1 LEU 55 3.231 -1.230 -1.316 465 2HD1 LEU 55 2HD1 LEU 55 2.194 -2.222 -0.290 466 3HD1 LEU 55 3HD1 LEU 55 3.900 -2.632 -0.481 467 1HD2 LEU 55 1HD2 LEU 55 4.170 -3.127 -3.709 468 2HD2 LEU 55 2HD2 LEU 55 4.765 -3.593 -2.115 469 3HD2 LEU 55 3HD2 LEU 55 3.780 -4.718 -3.052 470 H ASN 56 H ASN 56 -0.485 -4.174 -3.621 471 HA ASN 56 HA ASN 56 -0.532 -1.539 -4.571 472 1HB ASN 56 1HB ASN 56 -1.175 -4.116 -5.574 473 2HB ASN 56 2HB ASN 56 -2.563 -3.078 -5.883 474 1HD2 ASN 56 1HD2 ASN 56 0.563 -2.895 -8.273 475 2HD2 ASN 56 2HD2 ASN 56 0.201 -4.181 -7.179 476 H SER 57 H SER 57 -2.979 -3.470 -2.932 477 HA SER 57 HA SER 57 -5.165 -1.741 -3.312 478 1HB SER 57 1HB SER 57 -4.744 -4.189 -2.059 479 2HB SER 57 2HB SER 57 -5.211 -3.117 -0.741 480 HG SER 57 HG SER 57 -7.165 -3.378 -1.439 481 H LEU 58 H LEU 58 -2.622 -1.834 -0.879 482 HA LEU 58 HA LEU 58 -3.788 0.314 0.660 483 1HB LEU 58 1HB LEU 58 -1.277 -1.306 0.852 484 2HB LEU 58 2HB LEU 58 -1.437 0.174 1.778 485 HG LEU 58 HG LEU 58 -3.469 -2.038 1.957 486 1HD1 LEU 58 1HD1 LEU 58 -2.270 -2.719 4.033 487 2HD1 LEU 58 2HD1 LEU 58 -1.391 -3.063 2.544 488 3HD1 LEU 58 3HD1 LEU 58 -0.931 -1.683 3.540 489 1HD2 LEU 58 1HD2 LEU 58 -3.535 -0.883 4.330 490 2HD2 LEU 58 2HD2 LEU 58 -2.875 0.482 3.431 491 3HD2 LEU 58 3HD2 LEU 58 -4.425 -0.214 2.962 492 H TRP 59 H TRP 59 -1.567 -0.018 -1.968 493 HA TRP 59 HA TRP 59 -0.469 2.644 -1.611 494 1HB TRP 59 1HB TRP 59 1.066 0.936 -2.329 495 2HB TRP 59 2HB TRP 59 0.011 0.470 -3.656 496 HD1 TRP 59 HD1 TRP 59 0.510 1.541 -5.930 497 HE1 TRP 59 HE1 TRP 59 2.029 3.442 -6.765 498 HE3 TRP 59 HE3 TRP 59 2.072 3.390 -1.418 499 HZ2 TRP 59 HZ2 TRP 59 3.671 5.449 -5.668 500 HZ3 TRP 59 HZ3 TRP 59 3.625 5.289 -1.407 501 HH2 TRP 59 HH2 TRP 59 4.405 6.301 -3.487 502 H GLY 60 H GLY 60 -3.067 1.077 -3.184 503 1HA GLY 60 1HA GLY 60 -3.378 2.955 -5.338 504 2HA GLY 60 2HA GLY 60 -4.544 1.743 -4.835 505 H THR 61 H THR 61 -5.406 2.287 -2.457 506 HA THR 61 HA THR 61 -7.005 4.576 -2.674 507 HB THR 61 HB THR 61 -6.958 2.466 -0.977 508 HG1 THR 61 HG1 THR 61 -8.165 4.991 -0.570 509 1HG2 THR 61 1HG2 THR 61 -5.921 4.744 0.640 510 2HG2 THR 61 2HG2 THR 61 -6.775 3.362 1.318 511 3HG2 THR 61 3HG2 THR 61 -5.239 3.124 0.484 512 H PHE 62 H PHE 62 -4.112 3.914 -0.844 513 HA PHE 62 HA PHE 62 -3.520 6.268 0.420 514 1HB PHE 62 1HB PHE 62 -2.120 4.289 0.593 515 2HB PHE 62 2HB PHE 62 -1.702 4.399 -1.115 516 HD1 PHE 62 HD1 PHE 62 -1.790 7.522 0.696 517 HD2 PHE 62 HD2 PHE 62 0.651 4.188 -0.356 518 HE1 PHE 62 HE1 PHE 62 0.224 8.816 1.269 519 HE2 PHE 62 HE2 PHE 62 2.659 5.480 0.219 520 HZ PHE 62 HZ PHE 62 2.451 7.789 1.026 521 H LYS 63 H LYS 63 -2.763 5.350 -2.881 522 HA LYS 63 HA LYS 63 -1.515 7.695 -3.727 523 1HB LYS 63 1HB LYS 63 -2.295 5.216 -4.812 524 2HB LYS 63 2HB LYS 63 -3.004 6.432 -5.842 525 1HG LYS 63 1HG LYS 63 -0.784 7.452 -6.136 526 2HG LYS 63 2HG LYS 63 -0.094 6.173 -5.134 527 1HD LYS 63 1HD LYS 63 -1.473 5.860 -7.796 528 2HD LYS 63 2HD LYS 63 0.237 5.603 -7.446 529 1HE LYS 63 1HE LYS 63 -0.624 3.831 -5.756 530 2HE LYS 63 2HE LYS 63 -2.127 3.927 -6.669 531 1HZ LYS 63 1HZ LYS 63 -0.574 2.161 -7.423 532 2HZ LYS 63 2HZ LYS 63 -1.014 3.250 -8.640 533 3HZ LYS 63 3HZ LYS 63 0.507 3.368 -7.913 534 H THR 64 H THR 64 -4.925 6.809 -3.566 535 HA THR 64 HA THR 64 -6.094 8.713 -5.166 536 HB THR 64 HB THR 64 -7.076 7.975 -2.400 537 HG1 THR 64 HG1 THR 64 -7.998 6.208 -3.327 538 1HG2 THR 64 1HG2 THR 64 -8.261 9.825 -3.652 539 2HG2 THR 64 2HG2 THR 64 -8.739 8.588 -4.815 540 3HG2 THR 64 3HG2 THR 64 -9.245 8.457 -3.131 541 H GLU 65 H GLU 65 -4.692 9.059 -1.982 542 HA GLU 65 HA GLU 65 -5.345 11.880 -1.816 543 1HB GLU 65 1HB GLU 65 -3.510 10.343 0.018 544 2HB GLU 65 2HB GLU 65 -4.399 11.820 0.363 545 1HG GLU 65 1HG GLU 65 -5.990 9.436 -0.356 546 2HG GLU 65 2HG GLU 65 -5.181 9.422 1.210 547 H VAL 66 H VAL 66 -2.650 9.780 -2.569 548 HA VAL 66 HA VAL 66 -0.530 11.544 -2.448 549 HB VAL 66 HB VAL 66 -0.960 9.267 -4.364 550 1HG1 VAL 66 1HG1 VAL 66 1.741 10.334 -3.673 551 2HG1 VAL 66 2HG1 VAL 66 1.234 9.382 -5.067 552 3HG1 VAL 66 3HG1 VAL 66 0.812 11.088 -4.968 553 1HG2 VAL 66 1HG2 VAL 66 0.691 9.410 -1.849 554 2HG2 VAL 66 2HG2 VAL 66 -0.946 8.760 -1.924 555 3HG2 VAL 66 3HG2 VAL 66 0.355 7.981 -2.825 556 H TYR 67 H TYR 67 -2.871 11.019 -5.027 557 HA TYR 67 HA TYR 67 -1.665 12.680 -6.960 558 1HB TYR 67 1HB TYR 67 -4.405 11.559 -6.538 559 2HB TYR 67 2HB TYR 67 -4.193 12.837 -7.731 560 HD1 TYR 67 HD1 TYR 67 -3.370 9.368 -6.858 561 HD2 TYR 67 HD2 TYR 67 -2.992 12.431 -9.786 562 HE1 TYR 67 HE1 TYR 67 -2.617 7.699 -8.498 563 HE2 TYR 67 HE2 TYR 67 -2.239 10.769 -11.436 564 HH TYR 67 HH TYR 67 -1.318 7.617 -10.577 565 H ASN 68 H ASN 68 -3.712 13.310 -4.219 566 HA ASN 68 HA ASN 68 -4.153 16.076 -4.992 567 1HB ASN 68 1HB ASN 68 -5.134 14.348 -2.731 568 2HB ASN 68 2HB ASN 68 -5.348 16.098 -2.701 569 1HD2 ASN 68 1HD2 ASN 68 -7.529 13.759 -5.216 570 2HD2 ASN 68 2HD2 ASN 68 -6.127 13.149 -4.410 571 H LEU 69 H LEU 69 -1.961 14.235 -3.062 572 HA LEU 69 HA LEU 69 -1.262 16.106 -1.111 573 1HB LEU 69 1HB LEU 69 0.495 14.735 -0.591 574 2HB LEU 69 2HB LEU 69 -0.497 13.618 -1.501 575 HG LEU 69 HG LEU 69 0.969 14.346 -3.531 576 1HD1 LEU 69 1HD1 LEU 69 2.527 15.349 -1.178 577 2HD1 LEU 69 2HD1 LEU 69 3.354 14.756 -2.618 578 3HD1 LEU 69 3HD1 LEU 69 2.246 16.119 -2.740 579 1HD2 LEU 69 1HD2 LEU 69 2.818 12.729 -2.535 580 2HD2 LEU 69 2HD2 LEU 69 1.568 12.464 -1.318 581 3HD2 LEU 69 3HD2 LEU 69 1.227 12.144 -3.018 582 H ARG 70 H ARG 70 -0.174 15.748 -4.445 583 HA ARG 70 HA ARG 70 1.821 17.761 -4.257 584 1HB ARG 70 1HB ARG 70 1.927 17.606 -6.727 585 2HB ARG 70 2HB ARG 70 2.060 16.045 -5.929 586 1HG ARG 70 1HG ARG 70 -0.553 16.018 -6.337 587 2HG ARG 70 2HG ARG 70 -0.111 17.133 -7.632 588 1HD ARG 70 1HD ARG 70 1.724 15.288 -8.104 589 2HD ARG 70 2HD ARG 70 0.554 14.253 -7.285 590 HE ARG 70 HE ARG 70 -0.768 15.765 -9.250 591 1HH1 ARG 70 1HH1 ARG 70 1.060 12.417 -10.475 592 2HH1 ARG 70 2HH1 ARG 70 1.521 13.143 -8.972 593 1HH2 ARG 70 1HH2 ARG 70 -0.582 13.365 -11.755 594 2HH2 ARG 70 2HH2 ARG 70 -1.373 14.812 -11.225 595 H MET 71 H MET 71 -1.343 18.103 -4.021 596 HA MET 71 HA MET 71 -1.424 20.671 -5.447 597 1HB MET 71 1HB MET 71 -3.792 19.142 -4.364 598 2HB MET 71 2HB MET 71 -3.812 20.502 -5.479 599 1HG MET 71 1HG MET 71 -2.437 17.957 -6.222 600 2HG MET 71 2HG MET 71 -4.186 18.112 -6.377 601 1HE MET 71 1HE MET 71 -5.400 19.736 -8.054 602 2HE MET 71 2HE MET 71 -4.668 19.691 -9.660 603 3HE MET 71 3HE MET 71 -4.868 18.199 -8.739 604 H ASN 72 H ASN 72 -1.789 19.089 -2.358 605 HA ASN 72 HA ASN 72 -2.899 21.236 -0.907 606 1HB ASN 72 1HB ASN 72 -1.129 18.976 0.057 607 2HB ASN 72 2HB ASN 72 -2.085 20.035 1.092 608 1HD2 ASN 72 1HD2 ASN 72 -4.085 17.042 0.752 609 2HD2 ASN 72 2HD2 ASN 72 -2.632 17.568 1.520 610 H LEU 73 H LEU 73 -1.610 22.195 1.023 611 HA LEU 73 HA LEU 73 0.730 23.514 -0.128 612 1HB LEU 73 1HB LEU 73 -1.178 24.159 2.079 613 2HB LEU 73 2HB LEU 73 0.411 24.899 2.081 614 HG LEU 73 HG LEU 73 -1.294 26.352 1.069 615 1HD1 LEU 73 1HD1 LEU 73 0.790 25.336 -0.857 616 2HD1 LEU 73 2HD1 LEU 73 -0.082 26.860 -1.008 617 3HD1 LEU 73 3HD1 LEU 73 1.004 26.599 0.355 618 1HD2 LEU 73 1HD2 LEU 73 -2.467 24.205 0.082 619 2HD2 LEU 73 2HD2 LEU 73 -2.611 25.778 -0.703 620 3HD2 LEU 73 3HD2 LEU 73 -1.463 24.589 -1.317 621 H GLY 74 H GLY 74 0.679 20.734 1.085 622 1HA GLY 74 1HA GLY 74 2.462 21.112 3.378 623 2HA GLY 74 2HA GLY 74 1.722 19.596 2.885 624 H GLY 75 H GLY 75 3.297 21.683 0.578 625 1HA GLY 75 1HA GLY 75 4.996 19.610 -0.336 626 2HA GLY 75 2HA GLY 75 5.097 21.303 -0.798 627 H THR 76 H THR 76 6.326 22.747 0.543 628 HA THR 76 HA THR 76 8.742 21.549 1.479 629 HB THR 76 HB THR 76 8.943 23.665 0.420 630 HG1 THR 76 HG1 THR 76 10.160 23.304 2.446 631 1HG2 THR 76 1HG2 THR 76 7.363 25.202 0.497 632 2HG2 THR 76 2HG2 THR 76 6.531 24.318 1.775 633 3HG2 THR 76 3HG2 THR 76 7.762 25.513 2.185 634 H GLY 77 H GLY 77 9.512 21.305 3.532 635 1HA GLY 77 1HA GLY 77 8.060 22.336 5.809 636 2HA GLY 77 2HA GLY 77 7.941 20.594 5.611 637 H PHE 78 H PHE 78 10.583 22.961 5.254 638 HA PHE 78 HA PHE 78 12.504 21.163 6.354 639 1HB PHE 78 1HB PHE 78 12.501 23.922 5.285 640 2HB PHE 78 2HB PHE 78 13.768 23.554 6.453 641 HD1 PHE 78 HD1 PHE 78 15.728 22.590 5.719 642 HD2 PHE 78 HD2 PHE 78 12.217 22.204 3.348 643 HE1 PHE 78 HE1 PHE 78 17.050 21.512 3.947 644 HE2 PHE 78 HE2 PHE 78 13.532 21.124 1.570 645 HZ PHE 78 HZ PHE 78 15.951 20.777 1.869 646 H GLN 79 H GLN 79 12.978 20.794 8.409 647 HA GLN 79 HA GLN 79 11.875 22.582 10.453 648 1HB GLN 79 1HB GLN 79 12.627 19.695 10.386 649 2HB GLN 79 2HB GLN 79 12.696 20.540 11.926 650 1HG GLN 79 1HG GLN 79 10.264 21.305 11.110 651 2HG GLN 79 2HG GLN 79 10.372 19.743 10.297 652 1HE2 GLN 79 1HE2 GLN 79 8.986 19.534 13.818 653 2HE2 GLN 79 2HE2 GLN 79 8.680 20.641 12.528 Start of MODEL 20 1 1H MET 1 1H MET 1 -16.459 3.962 -3.623 2 2H MET 1 2H MET 1 -17.434 4.758 -2.455 3 3H MET 1 3H MET 1 -17.882 4.783 -4.110 4 HA MET 1 HA MET 1 -15.720 5.916 -4.533 5 1HB MET 1 1HB MET 1 -18.108 7.043 -3.115 6 2HB MET 1 2HB MET 1 -16.769 8.101 -3.537 7 1HG MET 1 1HG MET 1 -18.294 6.389 -5.488 8 2HG MET 1 2HG MET 1 -18.582 8.104 -5.202 9 1HE MET 1 1HE MET 1 -16.883 5.650 -7.504 10 2HE MET 1 2HE MET 1 -18.081 6.842 -8.008 11 3HE MET 1 3HE MET 1 -16.437 6.921 -8.643 12 H ASP 2 H ASP 2 -16.874 6.060 -1.160 13 HA ASP 2 HA ASP 2 -14.547 7.373 -0.197 14 1HB ASP 2 1HB ASP 2 -16.936 6.085 1.028 15 2HB ASP 2 2HB ASP 2 -15.526 6.334 2.054 16 H ARG 3 H ARG 3 -12.597 6.519 -0.080 17 HA ARG 3 HA ARG 3 -12.248 3.859 1.044 18 1HB ARG 3 1HB ARG 3 -10.580 3.305 -0.782 19 2HB ARG 3 2HB ARG 3 -12.275 3.254 -1.244 20 1HG ARG 3 1HG ARG 3 -12.075 5.434 -2.295 21 2HG ARG 3 2HG ARG 3 -10.386 5.535 -1.795 22 1HD ARG 3 1HD ARG 3 -10.252 3.219 -3.061 23 2HD ARG 3 2HD ARG 3 -11.653 3.869 -3.907 24 HE ARG 3 HE ARG 3 -9.016 5.188 -3.810 25 1HH1 ARG 3 1HH1 ARG 3 -11.541 5.285 -6.919 26 2HH1 ARG 3 2HH1 ARG 3 -12.000 4.442 -5.481 27 1HH2 ARG 3 1HH2 ARG 3 -9.519 6.332 -7.047 28 2HH2 ARG 3 2HH2 ARG 3 -8.428 6.293 -5.703 29 H VAL 4 H VAL 4 -11.243 4.669 2.824 30 HA VAL 4 HA VAL 4 -8.594 5.821 2.350 31 HB VAL 4 HB VAL 4 -8.891 7.385 4.250 32 1HG1 VAL 4 1HG1 VAL 4 -11.060 8.223 2.460 33 2HG1 VAL 4 2HG1 VAL 4 -9.532 9.017 2.847 34 3HG1 VAL 4 3HG1 VAL 4 -9.576 7.726 1.647 35 1HG2 VAL 4 1HG2 VAL 4 -10.967 5.965 5.042 36 2HG2 VAL 4 2HG2 VAL 4 -10.859 7.692 5.376 37 3HG2 VAL 4 3HG2 VAL 4 -11.845 7.113 4.034 38 H LEU 5 H LEU 5 -7.139 4.625 3.289 39 HA LEU 5 HA LEU 5 -7.832 2.688 5.283 40 1HB LEU 5 1HB LEU 5 -5.257 2.314 5.183 41 2HB LEU 5 2HB LEU 5 -6.302 1.761 3.906 42 HG LEU 5 HG LEU 5 -5.665 3.666 2.543 43 1HD1 LEU 5 1HD1 LEU 5 -3.385 4.509 4.049 44 2HD1 LEU 5 2HD1 LEU 5 -4.663 5.461 3.295 45 3HD1 LEU 5 3HD1 LEU 5 -4.881 4.815 4.917 46 1HD2 LEU 5 1HD2 LEU 5 -3.532 2.893 1.950 47 2HD2 LEU 5 2HD2 LEU 5 -3.196 2.338 3.593 48 3HD2 LEU 5 3HD2 LEU 5 -4.395 1.501 2.603 49 H SER 6 H SER 6 -7.061 2.476 7.354 50 HA SER 6 HA SER 6 -6.588 5.023 8.678 51 1HB SER 6 1HB SER 6 -7.081 3.833 10.743 52 2HB SER 6 2HB SER 6 -8.318 3.464 9.541 53 HG SER 6 HG SER 6 -6.724 1.781 10.851 54 H ARG 7 H ARG 7 -5.177 4.577 10.831 55 HA ARG 7 HA ARG 7 -2.518 4.584 10.039 56 1HB ARG 7 1HB ARG 7 -3.487 3.788 12.784 57 2HB ARG 7 2HB ARG 7 -1.946 4.524 12.369 58 1HG ARG 7 1HG ARG 7 -2.795 6.591 12.375 59 2HG ARG 7 2HG ARG 7 -4.273 6.094 11.554 60 1HD ARG 7 1HD ARG 7 -5.304 5.449 13.552 61 2HD ARG 7 2HD ARG 7 -3.776 5.404 14.429 62 HE ARG 7 HE ARG 7 -3.969 7.997 13.752 63 1HH1 ARG 7 1HH1 ARG 7 -7.025 7.045 16.162 64 2HH1 ARG 7 2HH1 ARG 7 -6.230 5.800 15.257 65 1HH2 ARG 7 1HH2 ARG 7 -6.337 9.217 15.981 66 2HH2 ARG 7 2HH2 ARG 7 -5.012 9.629 14.944 67 H ALA 8 H ALA 8 -4.542 1.928 11.113 68 HA ALA 8 HA ALA 8 -2.462 0.025 11.408 69 1HB ALA 8 1HB ALA 8 -4.484 -1.596 11.089 70 2HB ALA 8 2HB ALA 8 -4.367 -0.593 12.534 71 3HB ALA 8 3HB ALA 8 -5.433 -0.117 11.212 72 H ASP 9 H ASP 9 -4.502 0.978 8.685 73 HA ASP 9 HA ASP 9 -3.481 -1.162 7.026 74 1HB ASP 9 1HB ASP 9 -5.182 1.194 6.228 75 2HB ASP 9 2HB ASP 9 -4.955 -0.292 5.322 76 H LYS 10 H LYS 10 -3.173 2.399 7.150 77 HA LYS 10 HA LYS 10 -1.470 2.608 4.917 78 1HB LYS 10 1HB LYS 10 -0.877 4.826 5.760 79 2HB LYS 10 2HB LYS 10 -2.611 4.560 5.854 80 1HG LYS 10 1HG LYS 10 -2.643 4.664 8.102 81 2HG LYS 10 2HG LYS 10 -1.073 3.886 8.266 82 1HD LYS 10 1HD LYS 10 -0.109 5.863 8.585 83 2HD LYS 10 2HD LYS 10 -0.690 6.410 7.012 84 1HE LYS 10 1HE LYS 10 -2.527 7.461 7.903 85 2HE LYS 10 2HE LYS 10 -2.590 6.395 9.304 86 1HZ LYS 10 1HZ LYS 10 -1.380 8.929 9.070 87 2HZ LYS 10 2HZ LYS 10 -1.551 7.962 10.448 88 3HZ LYS 10 3HZ LYS 10 -0.192 7.788 9.456 89 H GLU 11 H GLU 11 -0.854 1.930 8.310 90 HA GLU 11 HA GLU 11 1.982 2.160 8.158 91 1HB GLU 11 1HB GLU 11 0.106 0.823 10.098 92 2HB GLU 11 2HB GLU 11 1.849 0.651 10.251 93 1HG GLU 11 1HG GLU 11 0.875 3.407 9.958 94 2HG GLU 11 2HG GLU 11 0.402 2.582 11.441 95 H ARG 12 H ARG 12 -0.347 -0.375 7.585 96 HA ARG 12 HA ARG 12 1.386 -2.580 7.438 97 1HB ARG 12 1HB ARG 12 -1.146 -2.608 7.486 98 2HB ARG 12 2HB ARG 12 -1.109 -2.156 5.788 99 1HG ARG 12 1HG ARG 12 0.102 -4.208 5.267 100 2HG ARG 12 2HG ARG 12 0.060 -4.665 6.972 101 1HD ARG 12 1HD ARG 12 -2.586 -4.050 6.258 102 2HD ARG 12 2HD ARG 12 -1.937 -5.018 4.935 103 HE ARG 12 HE ARG 12 -1.201 -6.359 7.199 104 1HH1 ARG 12 1HH1 ARG 12 -5.153 -6.529 6.569 105 2HH1 ARG 12 2HH1 ARG 12 -4.225 -5.250 5.861 106 1HH2 ARG 12 1HH2 ARG 12 -4.126 -8.119 7.855 107 2HH2 ARG 12 2HH2 ARG 12 -2.418 -8.047 8.130 108 H LEU 13 H LEU 13 0.567 -0.042 5.194 109 HA LEU 13 HA LEU 13 1.694 -1.197 2.860 110 1HB LEU 13 1HB LEU 13 0.107 0.583 2.652 111 2HB LEU 13 2HB LEU 13 1.067 1.639 3.664 112 HG LEU 13 HG LEU 13 2.823 1.190 1.654 113 1HD1 LEU 13 1HD1 LEU 13 1.520 -0.089 0.210 114 2HD1 LEU 13 2HD1 LEU 13 0.065 0.853 0.536 115 3HD1 LEU 13 3HD1 LEU 13 1.366 1.547 -0.429 116 1HD2 LEU 13 1HD2 LEU 13 1.628 3.315 2.710 117 2HD2 LEU 13 2HD2 LEU 13 2.547 3.401 1.207 118 3HD2 LEU 13 3HD2 LEU 13 0.787 3.286 1.158 119 H LEU 14 H LEU 14 2.908 0.805 5.465 120 HA LEU 14 HA LEU 14 5.421 1.406 4.302 121 1HB LEU 14 1HB LEU 14 4.281 1.517 7.063 122 2HB LEU 14 2HB LEU 14 6.005 1.736 6.835 123 HG LEU 14 HG LEU 14 3.795 3.448 5.706 124 1HD1 LEU 14 1HD1 LEU 14 4.210 3.953 7.997 125 2HD1 LEU 14 2HD1 LEU 14 5.955 3.919 7.745 126 3HD1 LEU 14 3HD1 LEU 14 4.986 5.206 7.028 127 1HD2 LEU 14 1HD2 LEU 14 6.282 4.653 5.254 128 2HD2 LEU 14 2HD2 LEU 14 6.452 2.985 4.709 129 3HD2 LEU 14 3HD2 LEU 14 5.170 4.000 4.052 130 H GLU 15 H GLU 15 4.269 -1.189 6.389 131 HA GLU 15 HA GLU 15 6.699 -2.337 7.097 132 1HB GLU 15 1HB GLU 15 4.054 -2.949 7.503 133 2HB GLU 15 2HB GLU 15 4.587 -4.280 6.487 134 1HG GLU 15 1HG GLU 15 6.600 -4.030 8.363 135 2HG GLU 15 2HG GLU 15 5.122 -3.741 9.278 136 H LEU 16 H LEU 16 4.638 -3.066 4.291 137 HA LEU 16 HA LEU 16 6.532 -4.889 3.156 138 1HB LEU 16 1HB LEU 16 4.162 -3.536 1.875 139 2HB LEU 16 2HB LEU 16 5.036 -4.906 1.222 140 HG LEU 16 HG LEU 16 3.985 -5.345 3.926 141 1HD1 LEU 16 1HD1 LEU 16 1.942 -5.393 1.752 142 2HD1 LEU 16 2HD1 LEU 16 1.726 -5.308 3.501 143 3HD1 LEU 16 3HD1 LEU 16 2.262 -3.885 2.610 144 1HD2 LEU 16 1HD2 LEU 16 4.171 -7.449 3.248 145 2HD2 LEU 16 2HD2 LEU 16 3.102 -7.159 1.877 146 3HD2 LEU 16 3HD2 LEU 16 4.832 -6.850 1.726 147 H LEU 17 H LEU 17 6.234 -1.506 3.209 148 HA LEU 17 HA LEU 17 7.642 -1.077 0.708 149 1HB LEU 17 1HB LEU 17 6.221 0.610 2.677 150 2HB LEU 17 2HB LEU 17 7.545 1.368 1.816 151 HG LEU 17 HG LEU 17 5.155 1.629 0.899 152 1HD1 LEU 17 1HD1 LEU 17 7.188 2.329 -0.263 153 2HD1 LEU 17 2HD1 LEU 17 7.359 0.706 -0.933 154 3HD1 LEU 17 3HD1 LEU 17 5.974 1.702 -1.376 155 1HD2 LEU 17 1HD2 LEU 17 4.034 -0.159 0.234 156 2HD2 LEU 17 2HD2 LEU 17 5.343 -0.610 -0.857 157 3HD2 LEU 17 3HD2 LEU 17 5.342 -1.189 0.807 158 H LYS 18 H LYS 18 8.511 -1.773 3.876 159 HA LYS 18 HA LYS 18 10.441 -1.556 5.077 160 1HB LYS 18 1HB LYS 18 11.194 -2.022 2.311 161 2HB LYS 18 2HB LYS 18 12.422 -1.115 3.180 162 1HG LYS 18 1HG LYS 18 13.064 -2.900 4.359 163 2HG LYS 18 2HG LYS 18 11.401 -3.384 4.697 164 1HD LYS 18 1HD LYS 18 11.506 -4.019 2.108 165 2HD LYS 18 2HD LYS 18 13.216 -4.203 2.499 166 1HE LYS 18 1HE LYS 18 11.528 -5.413 4.513 167 2HE LYS 18 2HE LYS 18 11.186 -6.065 2.911 168 1HZ LYS 18 1HZ LYS 18 13.209 -7.023 2.768 169 2HZ LYS 18 2HZ LYS 18 13.993 -5.803 3.638 170 3HZ LYS 18 3HZ LYS 18 13.113 -6.995 4.458 171 H LEU 19 H LEU 19 8.938 0.854 4.109 172 HA LEU 19 HA LEU 19 11.023 2.899 4.317 173 1HB LEU 19 1HB LEU 19 9.535 2.926 2.331 174 2HB LEU 19 2HB LEU 19 8.154 3.117 3.392 175 HG LEU 19 HG LEU 19 10.193 5.164 3.813 176 1HD1 LEU 19 1HD1 LEU 19 9.684 6.365 1.715 177 2HD1 LEU 19 2HD1 LEU 19 10.579 4.870 1.443 178 3HD1 LEU 19 3HD1 LEU 19 8.847 4.932 1.133 179 1HD2 LEU 19 1HD2 LEU 19 7.241 4.953 3.459 180 2HD2 LEU 19 2HD2 LEU 19 8.166 5.633 4.798 181 3HD2 LEU 19 3HD2 LEU 19 8.017 6.523 3.281 182 HA PRO 20 HA PRO 20 9.699 3.026 8.649 183 1HB PRO 20 1HB PRO 20 11.232 5.575 8.364 184 2HB PRO 20 2HB PRO 20 11.301 4.355 9.642 185 1HG PRO 20 1HG PRO 20 13.193 4.476 7.770 186 2HG PRO 20 2HG PRO 20 12.613 2.918 8.385 187 1HD PRO 20 1HD PRO 20 12.087 4.245 5.780 188 2HD PRO 20 2HD PRO 20 12.169 2.517 6.172 189 H ARG 21 H ARG 21 8.627 4.632 10.024 190 HA ARG 21 HA ARG 21 6.605 6.073 8.518 191 1HB ARG 21 1HB ARG 21 6.767 5.848 11.516 192 2HB ARG 21 2HB ARG 21 5.346 6.140 10.524 193 1HG ARG 21 1HG ARG 21 4.928 3.969 10.778 194 2HG ARG 21 2HG ARG 21 6.218 3.713 9.604 195 1HD ARG 21 1HD ARG 21 7.834 3.445 11.379 196 2HD ARG 21 2HD ARG 21 6.611 3.833 12.588 197 HE ARG 21 HE ARG 21 5.978 1.565 10.923 198 1HH1 ARG 21 1HH1 ARG 21 7.380 1.106 14.647 199 2HH1 ARG 21 2HH1 ARG 21 7.507 2.648 13.868 200 1HH2 ARG 21 1HH2 ARG 21 6.422 -0.660 13.554 201 2HH2 ARG 21 2HH2 ARG 21 5.813 -0.462 11.945 202 H GLN 22 H GLN 22 9.594 6.770 9.735 203 HA GLN 22 HA GLN 22 9.118 9.349 10.877 204 1HB GLN 22 1HB GLN 22 11.188 7.574 10.938 205 2HB GLN 22 2HB GLN 22 11.799 8.768 9.801 206 1HG GLN 22 1HG GLN 22 11.771 10.472 11.380 207 2HG GLN 22 2HG GLN 22 10.665 9.598 12.439 208 1HE2 GLN 22 1HE2 GLN 22 13.264 7.389 13.635 209 2HE2 GLN 22 2HE2 GLN 22 11.652 7.320 13.017 210 H LEU 23 H LEU 23 9.937 8.112 7.724 211 HA LEU 23 HA LEU 23 10.076 10.844 6.676 212 1HB LEU 23 1HB LEU 23 11.294 10.017 4.821 213 2HB LEU 23 2HB LEU 23 12.003 9.327 6.262 214 HG LEU 23 HG LEU 23 11.995 7.650 4.570 215 1HD1 LEU 23 1HD1 LEU 23 11.339 6.924 6.873 216 2HD1 LEU 23 2HD1 LEU 23 9.661 6.974 6.336 217 3HD1 LEU 23 3HD1 LEU 23 10.792 5.857 5.573 218 1HD2 LEU 23 1HD2 LEU 23 9.044 7.713 4.283 219 2HD2 LEU 23 2HD2 LEU 23 10.031 8.860 3.375 220 3HD2 LEU 23 3HD2 LEU 23 10.278 7.129 3.173 221 H TRP 24 H TRP 24 7.695 8.947 7.294 222 HA TRP 24 HA TRP 24 6.342 8.292 4.955 223 1HB TRP 24 1HB TRP 24 5.562 7.495 7.079 224 2HB TRP 24 2HB TRP 24 5.334 9.131 7.676 225 HD1 TRP 24 HD1 TRP 24 3.065 10.337 7.098 226 HE1 TRP 24 HE1 TRP 24 0.851 9.518 6.072 227 HE3 TRP 24 HE3 TRP 24 4.642 5.845 5.251 228 HZ2 TRP 24 HZ2 TRP 24 -0.100 7.258 4.666 229 HZ3 TRP 24 HZ3 TRP 24 3.021 4.407 4.082 230 HH2 TRP 24 HH2 TRP 24 0.699 5.106 3.794 231 H GLY 25 H GLY 25 6.114 9.686 3.297 232 1HA GLY 25 1HA GLY 25 4.264 11.561 2.977 233 2HA GLY 25 2HA GLY 25 5.492 12.488 3.824 234 H ASP 26 H ASP 26 7.568 10.744 2.400 235 HA ASP 26 HA ASP 26 7.845 12.493 0.112 236 1HB ASP 26 1HB ASP 26 9.710 11.688 1.738 237 2HB ASP 26 2HB ASP 26 9.703 10.224 0.759 238 H PHE 27 H PHE 27 6.713 11.996 -1.669 239 HA PHE 27 HA PHE 27 5.737 9.457 -2.326 240 1HB PHE 27 1HB PHE 27 4.841 11.616 -3.199 241 2HB PHE 27 2HB PHE 27 6.251 11.727 -4.250 242 HD1 PHE 27 HD1 PHE 27 5.407 11.509 -6.401 243 HD2 PHE 27 HD2 PHE 27 4.176 8.759 -3.391 244 HE1 PHE 27 HE1 PHE 27 4.240 10.171 -8.105 245 HE2 PHE 27 HE2 PHE 27 3.005 7.419 -5.093 246 HZ PHE 27 HZ PHE 27 3.038 8.124 -7.451 247 H GLY 28 H GLY 28 8.667 11.138 -3.357 248 1HA GLY 28 1HA GLY 28 9.453 9.345 -5.365 249 2HA GLY 28 2HA GLY 28 10.532 10.399 -4.470 250 H ARG 29 H ARG 29 9.908 9.190 -1.876 251 HA ARG 29 HA ARG 29 11.748 6.977 -2.083 252 1HB ARG 29 1HB ARG 29 10.676 8.671 0.085 253 2HB ARG 29 2HB ARG 29 11.075 7.020 0.540 254 1HG ARG 29 1HG ARG 29 13.344 7.339 -0.346 255 2HG ARG 29 2HG ARG 29 12.938 9.011 -0.738 256 1HD ARG 29 1HD ARG 29 12.581 9.522 1.585 257 2HD ARG 29 2HD ARG 29 12.801 7.833 2.032 258 HE ARG 29 HE ARG 29 14.892 9.710 1.205 259 1HH1 ARG 29 1HH1 ARG 29 15.627 6.101 2.784 260 2HH1 ARG 29 2HH1 ARG 29 14.010 6.515 2.325 261 1HH2 ARG 29 1HH2 ARG 29 17.328 7.594 2.487 262 2HH2 ARG 29 2HH2 ARG 29 17.011 9.154 1.804 263 H MET 30 H MET 30 8.349 7.416 -1.150 264 HA MET 30 HA MET 30 7.923 4.729 -0.375 265 1HB MET 30 1HB MET 30 5.502 5.264 -0.644 266 2HB MET 30 2HB MET 30 6.381 6.386 0.386 267 1HG MET 30 1HG MET 30 6.551 7.929 -1.545 268 2HG MET 30 2HG MET 30 5.530 6.829 -2.458 269 1HE MET 30 1HE MET 30 5.929 8.528 0.861 270 2HE MET 30 2HE MET 30 4.355 9.218 1.249 271 3HE MET 30 3HE MET 30 4.654 7.501 1.518 272 H GLN 31 H GLN 31 7.236 6.418 -3.441 273 HA GLN 31 HA GLN 31 6.210 4.141 -4.750 274 1HB GLN 31 1HB GLN 31 6.000 6.553 -5.515 275 2HB GLN 31 2HB GLN 31 7.655 6.424 -6.097 276 1HG GLN 31 1HG GLN 31 6.934 4.507 -7.516 277 2HG GLN 31 2HG GLN 31 5.274 4.836 -7.024 278 1HE2 GLN 31 1HE2 GLN 31 4.809 7.495 -9.204 279 2HE2 GLN 31 2HE2 GLN 31 4.182 6.518 -7.924 280 H GLN 32 H GLN 32 9.467 5.471 -4.457 281 HA GLN 32 HA GLN 32 10.755 3.735 -6.248 282 1HB GLN 32 1HB GLN 32 11.813 5.761 -5.307 283 2HB GLN 32 2HB GLN 32 11.871 4.986 -3.730 284 1HG GLN 32 1HG GLN 32 14.026 4.790 -4.661 285 2HG GLN 32 2HG GLN 32 13.285 3.195 -4.773 286 1HE2 GLN 32 1HE2 GLN 32 14.980 4.344 -7.972 287 2HE2 GLN 32 2HE2 GLN 32 15.461 4.468 -6.317 288 H ALA 33 H ALA 33 9.916 3.431 -2.842 289 HA ALA 33 HA ALA 33 11.250 0.920 -2.498 290 1HB ALA 33 1HB ALA 33 10.322 0.893 -0.311 291 2HB ALA 33 2HB ALA 33 10.752 2.568 -0.657 292 3HB ALA 33 3HB ALA 33 9.070 2.051 -0.758 293 H TYR 34 H TYR 34 7.908 1.950 -3.080 294 HA TYR 34 HA TYR 34 6.596 -0.465 -2.820 295 1HB TYR 34 1HB TYR 34 5.413 1.652 -3.221 296 2HB TYR 34 2HB TYR 34 6.050 1.707 -4.862 297 HD1 TYR 34 HD1 TYR 34 5.451 -0.276 -6.402 298 HD2 TYR 34 HD2 TYR 34 3.344 0.632 -2.809 299 HE1 TYR 34 HE1 TYR 34 3.534 -1.594 -7.201 300 HE2 TYR 34 HE2 TYR 34 1.433 -0.707 -3.601 301 HH TYR 34 HH TYR 34 0.511 -1.408 -5.911 302 H LYS 35 H LYS 35 8.452 0.769 -5.553 303 HA LYS 35 HA LYS 35 7.807 -1.410 -7.288 304 1HB LYS 35 1HB LYS 35 9.851 0.795 -7.378 305 2HB LYS 35 2HB LYS 35 9.824 -0.481 -8.588 306 1HG LYS 35 1HG LYS 35 7.323 1.031 -8.011 307 2HG LYS 35 2HG LYS 35 8.579 1.770 -9.007 308 1HD LYS 35 1HD LYS 35 8.451 -0.649 -10.165 309 2HD LYS 35 2HD LYS 35 6.791 -0.514 -9.583 310 1HE LYS 35 1HE LYS 35 7.383 1.974 -10.709 311 2HE LYS 35 2HE LYS 35 8.067 0.787 -11.820 312 1HZ LYS 35 1HZ LYS 35 5.263 0.825 -10.842 313 2HZ LYS 35 2HZ LYS 35 5.780 1.303 -12.380 314 3HZ LYS 35 3HZ LYS 35 5.918 -0.314 -11.907 315 H GLN 36 H GLN 36 10.566 -0.601 -5.217 316 HA GLN 36 HA GLN 36 12.176 -2.801 -5.964 317 1HB GLN 36 1HB GLN 36 12.148 -1.193 -3.402 318 2HB GLN 36 2HB GLN 36 13.410 -2.329 -3.861 319 1HG GLN 36 1HG GLN 36 12.665 0.131 -5.421 320 2HG GLN 36 2HG GLN 36 14.008 0.021 -4.286 321 1HE2 GLN 36 1HE2 GLN 36 14.265 -1.541 -8.023 322 2HE2 GLN 36 2HE2 GLN 36 12.770 -0.965 -7.378 323 H GLN 37 H GLN 37 9.599 -2.392 -3.642 324 HA GLN 37 HA GLN 37 10.076 -4.981 -2.425 325 1HB GLN 37 1HB GLN 37 7.849 -2.986 -1.984 326 2HB GLN 37 2HB GLN 37 8.139 -4.428 -1.020 327 1HG GLN 37 1HG GLN 37 10.028 -2.105 -1.306 328 2HG GLN 37 2HG GLN 37 8.982 -2.416 0.076 329 1HE2 GLN 37 1HE2 GLN 37 12.581 -3.824 0.246 330 2HE2 GLN 37 2HE2 GLN 37 12.014 -2.402 -0.553 331 H SER 38 H SER 38 8.184 -3.624 -4.956 332 HA SER 38 HA SER 38 6.136 -5.601 -5.024 333 1HB SER 38 1HB SER 38 7.051 -3.383 -6.772 334 2HB SER 38 2HB SER 38 6.176 -4.693 -7.568 335 HG SER 38 HG SER 38 5.119 -3.646 -5.198 336 H LEU 39 H LEU 39 9.415 -5.488 -6.054 337 HA LEU 39 HA LEU 39 9.168 -7.621 -7.984 338 1HB LEU 39 1HB LEU 39 11.299 -5.820 -7.022 339 2HB LEU 39 2HB LEU 39 11.830 -7.406 -7.550 340 HG LEU 39 HG LEU 39 10.060 -5.749 -9.314 341 1HD1 LEU 39 1HD1 LEU 39 11.664 -4.157 -9.208 342 2HD1 LEU 39 2HD1 LEU 39 12.898 -5.282 -8.640 343 3HD1 LEU 39 3HD1 LEU 39 12.467 -5.235 -10.350 344 1HD2 LEU 39 1HD2 LEU 39 10.271 -7.862 -10.209 345 2HD2 LEU 39 2HD2 LEU 39 11.613 -7.018 -10.985 346 3HD2 LEU 39 3HD2 LEU 39 11.911 -8.066 -9.599 347 H LEU 40 H LEU 40 10.086 -7.260 -4.617 348 HA LEU 40 HA LEU 40 11.067 -9.980 -4.458 349 1HB LEU 40 1HB LEU 40 11.506 -9.517 -2.123 350 2HB LEU 40 2HB LEU 40 12.152 -8.240 -3.133 351 HG LEU 40 HG LEU 40 9.973 -6.972 -2.567 352 1HD1 LEU 40 1HD1 LEU 40 8.532 -8.348 -1.489 353 2HD1 LEU 40 2HD1 LEU 40 9.819 -9.326 -0.785 354 3HD1 LEU 40 3HD1 LEU 40 9.414 -7.762 -0.079 355 1HD2 LEU 40 1HD2 LEU 40 11.458 -5.796 -1.407 356 2HD2 LEU 40 2HD2 LEU 40 11.259 -6.906 -0.051 357 3HD2 LEU 40 3HD2 LEU 40 12.502 -7.209 -1.265 358 H LEU 41 H LEU 41 8.046 -8.513 -4.365 359 HA LEU 41 HA LEU 41 6.890 -10.512 -2.572 360 1HB LEU 41 1HB LEU 41 6.012 -7.909 -3.686 361 2HB LEU 41 2HB LEU 41 4.758 -9.103 -3.400 362 HG LEU 41 HG LEU 41 6.644 -8.663 -1.166 363 1HD1 LEU 41 1HD1 LEU 41 5.445 -6.429 -2.452 364 2HD1 LEU 41 2HD1 LEU 41 4.637 -6.681 -0.905 365 3HD1 LEU 41 3HD1 LEU 41 6.388 -6.473 -0.962 366 1HD2 LEU 41 1HD2 LEU 41 4.053 -8.451 -0.274 367 2HD2 LEU 41 2HD2 LEU 41 3.917 -9.563 -1.636 368 3HD2 LEU 41 3HD2 LEU 41 5.019 -9.925 -0.309 369 H HIS 42 H HIS 42 7.573 -10.133 -5.834 370 HA HIS 42 HA HIS 42 5.364 -11.237 -7.137 371 1HB HIS 42 1HB HIS 42 7.628 -10.196 -8.015 372 2HB HIS 42 2HB HIS 42 8.149 -11.873 -8.027 373 HD1 HIS 42 HD1 HIS 42 7.836 -12.960 -10.203 374 HD2 HIS 42 HD2 HIS 42 5.010 -9.983 -9.562 375 HE1 HIS 42 HE1 HIS 42 6.442 -12.896 -12.293 376 HE2 HIS 42 HE2 HIS 42 4.663 -11.174 -11.832 377 HA PRO 43 HA PRO 43 5.380 -15.448 -5.776 378 1HB PRO 43 1HB PRO 43 4.271 -16.669 -7.947 379 2HB PRO 43 2HB PRO 43 3.344 -15.726 -6.774 380 1HG PRO 43 1HG PRO 43 4.368 -14.924 -9.464 381 2HG PRO 43 2HG PRO 43 2.802 -14.576 -8.712 382 1HD PRO 43 1HD PRO 43 4.804 -12.766 -8.807 383 2HD PRO 43 2HD PRO 43 3.649 -12.829 -7.465 384 H ASP 44 H ASP 44 7.241 -14.357 -8.404 385 HA ASP 44 HA ASP 44 8.391 -16.957 -8.994 386 1HB ASP 44 1HB ASP 44 7.979 -14.878 -10.609 387 2HB ASP 44 2HB ASP 44 9.595 -14.449 -10.061 388 H LYS 45 H LYS 45 9.012 -14.243 -6.957 389 HA LYS 45 HA LYS 45 11.740 -15.206 -6.417 390 1HB LYS 45 1HB LYS 45 10.424 -12.558 -5.785 391 2HB LYS 45 2HB LYS 45 12.031 -13.013 -5.239 392 1HG LYS 45 1HG LYS 45 12.381 -11.683 -7.120 393 2HG LYS 45 2HG LYS 45 12.605 -13.332 -7.695 394 1HD LYS 45 1HD LYS 45 10.529 -13.357 -8.778 395 2HD LYS 45 2HD LYS 45 9.955 -11.947 -7.893 396 1HE LYS 45 1HE LYS 45 11.862 -12.094 -10.189 397 2HE LYS 45 2HE LYS 45 10.437 -11.077 -9.986 398 1HZ LYS 45 1HZ LYS 45 12.253 -9.665 -9.711 399 2HZ LYS 45 2HZ LYS 45 11.726 -9.975 -8.134 400 3HZ LYS 45 3HZ LYS 45 13.095 -10.759 -8.737 401 H GLY 46 H GLY 46 9.275 -16.468 -5.439 402 1HA GLY 46 1HA GLY 46 8.599 -17.489 -3.492 403 2HA GLY 46 2HA GLY 46 10.060 -16.864 -2.742 404 H GLY 47 H GLY 47 6.904 -15.689 -3.914 405 1HA GLY 47 1HA GLY 47 6.647 -14.203 -1.386 406 2HA GLY 47 2HA GLY 47 6.391 -13.371 -2.912 407 H SER 48 H SER 48 4.443 -13.487 -0.924 408 HA SER 48 HA SER 48 2.535 -15.535 -1.723 409 1HB SER 48 1HB SER 48 2.793 -13.627 0.535 410 2HB SER 48 2HB SER 48 1.150 -14.028 0.034 411 HG SER 48 HG SER 48 1.968 -16.302 0.156 412 H HIS 49 H HIS 49 0.802 -15.211 -2.999 413 HA HIS 49 HA HIS 49 0.664 -12.859 -4.587 414 1HB HIS 49 1HB HIS 49 -1.504 -13.920 -5.415 415 2HB HIS 49 2HB HIS 49 -0.034 -14.861 -5.639 416 HD1 HIS 49 HD1 HIS 49 -2.704 -14.608 -2.920 417 HD2 HIS 49 HD2 HIS 49 -0.445 -17.434 -4.968 418 HE1 HIS 49 HE1 HIS 49 -3.427 -16.835 -2.009 419 HE2 HIS 49 HE2 HIS 49 -2.148 -18.532 -3.363 420 H ALA 50 H ALA 50 -0.927 -13.907 -1.676 421 HA ALA 50 HA ALA 50 -3.123 -12.120 -1.773 422 1HB ALA 50 1HB ALA 50 -3.765 -13.295 -0.008 423 2HB ALA 50 2HB ALA 50 -2.232 -14.166 -0.068 424 3HB ALA 50 3HB ALA 50 -2.388 -12.717 0.927 425 H LEU 51 H LEU 51 0.182 -11.773 -0.784 426 HA LEU 51 HA LEU 51 -0.235 -9.354 0.706 427 1HB LEU 51 1HB LEU 51 2.079 -11.013 -0.119 428 2HB LEU 51 2HB LEU 51 2.397 -9.321 0.202 429 HG LEU 51 HG LEU 51 1.023 -9.902 2.424 430 1HD1 LEU 51 1HD1 LEU 51 2.563 -12.429 2.143 431 2HD1 LEU 51 2HD1 LEU 51 1.163 -12.060 3.151 432 3HD1 LEU 51 3HD1 LEU 51 0.955 -12.336 1.422 433 1HD2 LEU 51 1HD2 LEU 51 3.509 -10.700 3.194 434 2HD2 LEU 51 2HD2 LEU 51 3.856 -9.859 1.682 435 3HD2 LEU 51 3HD2 LEU 51 3.006 -9.024 2.981 436 H MET 52 H MET 52 1.197 -10.135 -2.450 437 HA MET 52 HA MET 52 1.869 -7.585 -3.272 438 1HB MET 52 1HB MET 52 2.056 -10.036 -4.384 439 2HB MET 52 2HB MET 52 0.757 -9.362 -5.359 440 1HG MET 52 1HG MET 52 3.417 -8.023 -4.943 441 2HG MET 52 2HG MET 52 3.036 -9.067 -6.310 442 1HE MET 52 1HE MET 52 1.745 -5.290 -4.783 443 2HE MET 52 2HE MET 52 3.382 -5.938 -4.897 444 3HE MET 52 3HE MET 52 2.801 -4.792 -6.107 445 H GLN 53 H GLN 53 -1.208 -9.299 -3.905 446 HA GLN 53 HA GLN 53 -2.404 -7.148 -5.274 447 1HB GLN 53 1HB GLN 53 -4.518 -8.329 -4.970 448 2HB GLN 53 2HB GLN 53 -3.245 -9.437 -5.459 449 1HG GLN 53 1HG GLN 53 -3.133 -10.426 -3.355 450 2HG GLN 53 2HG GLN 53 -3.965 -9.084 -2.574 451 1HE2 GLN 53 1HE2 GLN 53 -6.100 -12.201 -3.363 452 2HE2 GLN 53 2HE2 GLN 53 -4.431 -12.108 -2.934 453 H GLU 54 H GLU 54 -2.018 -7.819 -1.889 454 HA GLU 54 HA GLU 54 -4.063 -6.037 -0.975 455 1HB GLU 54 1HB GLU 54 -2.490 -7.970 0.205 456 2HB GLU 54 2HB GLU 54 -1.826 -6.482 0.862 457 1HG GLU 54 1HG GLU 54 -3.874 -5.874 1.837 458 2HG GLU 54 2HG GLU 54 -4.765 -7.074 0.900 459 H LEU 55 H LEU 55 -0.602 -5.802 -1.571 460 HA LEU 55 HA LEU 55 -0.101 -3.311 -0.446 461 1HB LEU 55 1HB LEU 55 1.527 -5.022 -1.367 462 2HB LEU 55 2HB LEU 55 1.173 -4.374 -2.954 463 HG LEU 55 HG LEU 55 2.134 -2.256 -2.390 464 1HD1 LEU 55 1HD1 LEU 55 2.968 -1.683 -0.231 465 2HD1 LEU 55 2HD1 LEU 55 1.304 -2.225 -0.030 466 3HD1 LEU 55 3HD1 LEU 55 2.640 -3.299 0.390 467 1HD2 LEU 55 1HD2 LEU 55 3.573 -4.739 -2.195 468 2HD2 LEU 55 2HD2 LEU 55 4.052 -3.221 -2.955 469 3HD2 LEU 55 3HD2 LEU 55 4.364 -3.484 -1.240 470 H ASN 56 H ASN 56 -1.243 -4.164 -3.685 471 HA ASN 56 HA ASN 56 -1.159 -1.589 -4.801 472 1HB ASN 56 1HB ASN 56 -2.750 -4.063 -5.429 473 2HB ASN 56 2HB ASN 56 -3.012 -2.569 -6.324 474 1HD2 ASN 56 1HD2 ASN 56 0.449 -4.686 -6.790 475 2HD2 ASN 56 2HD2 ASN 56 -0.546 -4.909 -5.395 476 H SER 57 H SER 57 -3.462 -3.132 -2.693 477 HA SER 57 HA SER 57 -5.567 -1.233 -3.134 478 1HB SER 57 1HB SER 57 -6.037 -3.531 -2.375 479 2HB SER 57 2HB SER 57 -5.179 -3.206 -0.869 480 HG SER 57 HG SER 57 -7.683 -2.340 -1.723 481 H LEU 58 H LEU 58 -2.822 -1.473 -0.998 482 HA LEU 58 HA LEU 58 -3.788 0.677 0.706 483 1HB LEU 58 1HB LEU 58 -1.241 -0.937 0.732 484 2HB LEU 58 2HB LEU 58 -1.583 0.360 1.861 485 HG LEU 58 HG LEU 58 -3.498 -1.928 1.624 486 1HD1 LEU 58 1HD1 LEU 58 -0.786 -1.958 2.856 487 2HD1 LEU 58 2HD1 LEU 58 -2.104 -2.819 3.651 488 3HD1 LEU 58 3HD1 LEU 58 -1.649 -3.233 1.997 489 1HD2 LEU 58 1HD2 LEU 58 -4.433 -0.442 3.066 490 2HD2 LEU 58 2HD2 LEU 58 -3.399 -1.290 4.215 491 3HD2 LEU 58 3HD2 LEU 58 -2.882 0.252 3.533 492 H TRP 59 H TRP 59 -1.511 0.161 -1.901 493 HA TRP 59 HA TRP 59 -0.354 2.804 -1.619 494 1HB TRP 59 1HB TRP 59 1.151 1.031 -2.238 495 2HB TRP 59 2HB TRP 59 0.098 0.529 -3.549 496 HD1 TRP 59 HD1 TRP 59 0.758 1.343 -5.850 497 HE1 TRP 59 HE1 TRP 59 2.287 3.176 -6.804 498 HE3 TRP 59 HE3 TRP 59 2.102 3.672 -1.476 499 HZ2 TRP 59 HZ2 TRP 59 3.843 5.309 -5.850 500 HZ3 TRP 59 HZ3 TRP 59 3.624 5.592 -1.607 501 HH2 TRP 59 HH2 TRP 59 4.472 6.394 -3.749 502 H GLY 60 H GLY 60 -2.976 1.283 -3.183 503 1HA GLY 60 1HA GLY 60 -3.158 3.082 -5.425 504 2HA GLY 60 2HA GLY 60 -4.364 1.910 -4.924 505 H THR 61 H THR 61 -5.276 2.570 -2.573 506 HA THR 61 HA THR 61 -6.833 4.875 -2.956 507 HB THR 61 HB THR 61 -6.884 2.832 -1.154 508 HG1 THR 61 HG1 THR 61 -8.591 3.990 -0.192 509 1HG2 THR 61 1HG2 THR 61 -5.251 3.555 0.365 510 2HG2 THR 61 2HG2 THR 61 -5.904 5.195 0.389 511 3HG2 THR 61 3HG2 THR 61 -6.827 3.869 1.091 512 H PHE 62 H PHE 62 -4.034 4.224 -0.984 513 HA PHE 62 HA PHE 62 -3.422 6.605 0.203 514 1HB PHE 62 1HB PHE 62 -2.104 4.565 0.461 515 2HB PHE 62 2HB PHE 62 -1.588 4.661 -1.221 516 HD1 PHE 62 HD1 PHE 62 -1.744 7.638 0.919 517 HD2 PHE 62 HD2 PHE 62 0.735 4.549 -0.670 518 HE1 PHE 62 HE1 PHE 62 0.255 8.886 1.616 519 HE2 PHE 62 HE2 PHE 62 2.732 5.802 0.029 520 HZ PHE 62 HZ PHE 62 2.493 7.964 1.167 521 H LYS 63 H LYS 63 -2.523 5.541 -3.021 522 HA LYS 63 HA LYS 63 -1.203 7.798 -3.952 523 1HB LYS 63 1HB LYS 63 -2.117 5.321 -4.944 524 2HB LYS 63 2HB LYS 63 -2.737 6.534 -6.033 525 1HG LYS 63 1HG LYS 63 -0.444 7.406 -6.318 526 2HG LYS 63 2HG LYS 63 0.141 6.099 -5.284 527 1HD LYS 63 1HD LYS 63 -1.277 5.800 -7.933 528 2HD LYS 63 2HD LYS 63 0.433 5.507 -7.617 529 1HE LYS 63 1HE LYS 63 0.018 3.547 -6.477 530 2HE LYS 63 2HE LYS 63 -1.613 4.009 -6.035 531 1HZ LYS 63 1HZ LYS 63 -1.948 2.427 -7.656 532 2HZ LYS 63 2HZ LYS 63 -2.038 3.857 -8.555 533 3HZ LYS 63 3HZ LYS 63 -0.627 2.927 -8.589 534 H THR 64 H THR 64 -4.675 7.039 -3.944 535 HA THR 64 HA THR 64 -5.649 9.027 -5.582 536 HB THR 64 HB THR 64 -6.835 8.160 -2.934 537 HG1 THR 64 HG1 THR 64 -6.556 6.395 -4.279 538 1HG2 THR 64 1HG2 THR 64 -8.863 9.013 -3.550 539 2HG2 THR 64 2HG2 THR 64 -7.771 10.244 -4.184 540 3HG2 THR 64 3HG2 THR 64 -8.462 9.032 -5.266 541 H GLU 65 H GLU 65 -4.478 9.216 -2.293 542 HA GLU 65 HA GLU 65 -5.050 12.045 -2.079 543 1HB GLU 65 1HB GLU 65 -3.350 10.471 -0.161 544 2HB GLU 65 2HB GLU 65 -4.331 11.895 0.157 545 1HG GLU 65 1HG GLU 65 -5.690 9.401 -0.724 546 2HG GLU 65 2HG GLU 65 -5.087 9.503 0.929 547 H VAL 66 H VAL 66 -2.408 9.912 -2.826 548 HA VAL 66 HA VAL 66 -0.245 11.588 -2.454 549 HB VAL 66 HB VAL 66 -0.623 9.420 -4.504 550 1HG1 VAL 66 1HG1 VAL 66 1.312 11.337 -4.681 551 2HG1 VAL 66 2HG1 VAL 66 2.110 10.112 -3.702 552 3HG1 VAL 66 3HG1 VAL 66 1.467 9.689 -5.287 553 1HG2 VAL 66 1HG2 VAL 66 0.895 9.421 -1.899 554 2HG2 VAL 66 2HG2 VAL 66 -0.737 8.789 -2.101 555 3HG2 VAL 66 3HG2 VAL 66 0.609 8.044 -2.961 556 H TYR 67 H TYR 67 -2.574 11.453 -5.075 557 HA TYR 67 HA TYR 67 -1.123 13.123 -6.861 558 1HB TYR 67 1HB TYR 67 -3.197 11.535 -7.274 559 2HB TYR 67 2HB TYR 67 -4.109 13.003 -6.940 560 HD1 TYR 67 HD1 TYR 67 -4.973 13.691 -8.989 561 HD2 TYR 67 HD2 TYR 67 -0.881 12.548 -8.750 562 HE1 TYR 67 HE1 TYR 67 -4.632 14.434 -11.311 563 HE2 TYR 67 HE2 TYR 67 -0.531 13.289 -11.068 564 HH TYR 67 HH TYR 67 -1.636 13.844 -13.018 565 H ASN 68 H ASN 68 -3.450 13.715 -4.294 566 HA ASN 68 HA ASN 68 -3.542 16.549 -4.918 567 1HB ASN 68 1HB ASN 68 -5.212 16.738 -3.201 568 2HB ASN 68 2HB ASN 68 -5.587 15.329 -4.186 569 1HD2 ASN 68 1HD2 ASN 68 -6.013 13.499 -1.294 570 2HD2 ASN 68 2HD2 ASN 68 -6.638 14.059 -2.806 571 H LEU 69 H LEU 69 -1.641 14.461 -3.011 572 HA LEU 69 HA LEU 69 -1.041 16.081 -0.805 573 1HB LEU 69 1HB LEU 69 0.645 14.606 -0.324 574 2HB LEU 69 2HB LEU 69 -0.361 13.620 -1.365 575 HG LEU 69 HG LEU 69 1.212 14.361 -3.270 576 1HD1 LEU 69 1HD1 LEU 69 3.544 14.582 -1.733 577 2HD1 LEU 69 2HD1 LEU 69 2.810 15.809 -2.765 578 3HD1 LEU 69 3HD1 LEU 69 2.399 15.740 -1.052 579 1HD2 LEU 69 1HD2 LEU 69 1.501 12.162 -2.872 580 2HD2 LEU 69 2HD2 LEU 69 3.025 12.709 -2.177 581 3HD2 LEU 69 3HD2 LEU 69 1.645 12.381 -1.130 582 H ARG 70 H ARG 70 0.077 16.175 -4.104 583 HA ARG 70 HA ARG 70 2.264 17.921 -3.607 584 1HB ARG 70 1HB ARG 70 0.985 16.728 -5.976 585 2HB ARG 70 2HB ARG 70 1.780 18.272 -6.252 586 1HG ARG 70 1HG ARG 70 3.828 17.279 -5.169 587 2HG ARG 70 2HG ARG 70 3.001 15.722 -5.235 588 1HD ARG 70 1HD ARG 70 3.620 15.461 -7.347 589 2HD ARG 70 2HD ARG 70 2.800 16.955 -7.792 590 HE ARG 70 HE ARG 70 4.897 18.117 -7.218 591 1HH1 ARG 70 1HH1 ARG 70 6.696 14.741 -8.411 592 2HH1 ARG 70 2HH1 ARG 70 5.032 14.694 -7.942 593 1HH2 ARG 70 1HH2 ARG 70 7.858 16.702 -8.354 594 2HH2 ARG 70 2HH2 ARG 70 7.083 18.163 -7.840 595 H MET 71 H MET 71 -0.855 18.500 -3.257 596 HA MET 71 HA MET 71 -0.736 21.256 -4.258 597 1HB MET 71 1HB MET 71 -3.207 19.838 -3.275 598 2HB MET 71 2HB MET 71 -3.111 21.295 -4.253 599 1HG MET 71 1HG MET 71 -2.089 18.660 -5.244 600 2HG MET 71 2HG MET 71 -3.780 19.125 -5.403 601 1HE MET 71 1HE MET 71 -1.522 18.267 -7.362 602 2HE MET 71 2HE MET 71 -2.794 18.772 -8.476 603 3HE MET 71 3HE MET 71 -1.173 19.450 -8.624 604 H ASN 72 H ASN 72 -1.148 19.278 -1.408 605 HA ASN 72 HA ASN 72 -1.971 21.338 0.359 606 1HB ASN 72 1HB ASN 72 -0.501 18.776 1.024 607 2HB ASN 72 2HB ASN 72 -1.423 19.773 2.146 608 1HD2 ASN 72 1HD2 ASN 72 -3.818 17.246 1.501 609 2HD2 ASN 72 2HD2 ASN 72 -2.485 17.672 2.513 610 H LEU 73 H LEU 73 -0.318 21.367 2.492 611 HA LEU 73 HA LEU 73 1.754 23.128 1.631 612 1HB LEU 73 1HB LEU 73 0.503 22.360 4.124 613 2HB LEU 73 2HB LEU 73 2.244 22.448 4.307 614 HG LEU 73 HG LEU 73 1.213 24.565 4.906 615 1HD1 LEU 73 1HD1 LEU 73 3.317 25.016 4.143 616 2HD1 LEU 73 2HD1 LEU 73 2.987 24.396 2.525 617 3HD1 LEU 73 3HD1 LEU 73 2.363 25.974 3.011 618 1HD2 LEU 73 1HD2 LEU 73 -0.029 25.894 3.348 619 2HD2 LEU 73 2HD2 LEU 73 0.245 24.723 2.059 620 3HD2 LEU 73 3HD2 LEU 73 -0.778 24.299 3.431 621 H GLY 74 H GLY 74 2.829 21.538 0.205 622 1HA GLY 74 1HA GLY 74 5.040 20.304 1.637 623 2HA GLY 74 2HA GLY 74 4.026 19.206 0.712 624 H GLY 75 H GLY 75 5.325 22.470 0.083 625 1HA GLY 75 1HA GLY 75 5.853 21.824 -2.660 626 2HA GLY 75 2HA GLY 75 6.293 23.312 -1.837 627 H THR 76 H THR 76 7.375 20.282 -2.986 628 HA THR 76 HA THR 76 9.859 20.322 -1.501 629 HB THR 76 HB THR 76 10.428 18.319 -2.828 630 HG1 THR 76 HG1 THR 76 7.970 18.893 -4.109 631 1HG2 THR 76 1HG2 THR 76 7.749 17.484 -2.195 632 2HG2 THR 76 2HG2 THR 76 9.280 17.034 -1.447 633 3HG2 THR 76 3HG2 THR 76 8.429 18.482 -0.911 634 H GLY 77 H GLY 77 11.201 21.933 -2.042 635 1HA GLY 77 1HA GLY 77 12.716 23.123 -3.284 636 2HA GLY 77 2HA GLY 77 12.605 21.850 -4.486 637 H PHE 78 H PHE 78 10.787 21.972 -6.018 638 HA PHE 78 HA PHE 78 10.531 24.650 -7.015 639 1HB PHE 78 1HB PHE 78 10.319 22.019 -8.075 640 2HB PHE 78 2HB PHE 78 8.807 22.852 -8.414 641 HD1 PHE 78 HD1 PHE 78 11.952 22.162 -9.667 642 HD2 PHE 78 HD2 PHE 78 9.198 25.382 -9.246 643 HE1 PHE 78 HE1 PHE 78 13.020 23.318 -11.557 644 HE2 PHE 78 HE2 PHE 78 10.263 26.542 -11.137 645 HZ PHE 78 HZ PHE 78 12.176 25.508 -12.294 646 H GLN 79 H GLN 79 9.164 25.997 -6.036 647 HA GLN 79 HA GLN 79 6.488 25.001 -5.317 648 1HB GLN 79 1HB GLN 79 8.251 26.240 -3.676 649 2HB GLN 79 2HB GLN 79 7.365 27.629 -4.288 650 1HG GLN 79 1HG GLN 79 6.181 25.232 -2.909 651 2HG GLN 79 2HG GLN 79 6.402 26.837 -2.215 652 1HE2 GLN 79 1HE2 GLN 79 3.329 26.064 -4.772 653 2HE2 GLN 79 2HE2 GLN 79 4.651 24.964 -4.597 Start of MODEL 21 1 1H MET 1 1H MET 1 -17.758 1.741 2.070 2 2H MET 1 2H MET 1 -18.072 3.197 2.921 3 3H MET 1 3H MET 1 -19.364 2.146 2.503 4 HA MET 1 HA MET 1 -18.932 2.529 0.186 5 1HB MET 1 1HB MET 1 -19.809 4.491 2.170 6 2HB MET 1 2HB MET 1 -19.308 5.235 0.658 7 1HG MET 1 1HG MET 1 -20.877 3.861 -0.571 8 2HG MET 1 2HG MET 1 -21.343 3.033 0.913 9 1HE MET 1 1HE MET 1 -23.259 5.200 2.960 10 2HE MET 1 2HE MET 1 -21.652 4.476 2.975 11 3HE MET 1 3HE MET 1 -21.828 6.229 2.914 12 H ASP 2 H ASP 2 -17.262 5.051 2.080 13 HA ASP 2 HA ASP 2 -15.551 5.738 -0.104 14 1HB ASP 2 1HB ASP 2 -16.174 6.785 2.519 15 2HB ASP 2 2HB ASP 2 -14.432 6.777 2.255 16 H ARG 3 H ARG 3 -13.440 5.231 -0.461 17 HA ARG 3 HA ARG 3 -12.380 2.968 1.053 18 1HB ARG 3 1HB ARG 3 -12.543 3.275 -1.595 19 2HB ARG 3 2HB ARG 3 -10.983 4.046 -1.344 20 1HG ARG 3 1HG ARG 3 -10.562 1.818 0.055 21 2HG ARG 3 2HG ARG 3 -11.764 1.208 -1.086 22 1HD ARG 3 1HD ARG 3 -9.502 2.833 -2.131 23 2HD ARG 3 2HD ARG 3 -9.183 1.172 -1.645 24 HE ARG 3 HE ARG 3 -11.004 2.024 -3.791 25 1HH1 ARG 3 1HH1 ARG 3 -9.492 -1.668 -3.425 26 2HH1 ARG 3 2HH1 ARG 3 -9.223 -0.512 -2.165 27 1HH2 ARG 3 1HH2 ARG 3 -10.699 -1.099 -5.276 28 2HH2 ARG 3 2HH2 ARG 3 -11.355 0.496 -5.433 29 H VAL 4 H VAL 4 -11.617 3.999 2.904 30 HA VAL 4 HA VAL 4 -9.170 5.550 2.472 31 HB VAL 4 HB VAL 4 -9.752 7.040 4.372 32 1HG1 VAL 4 1HG1 VAL 4 -11.074 8.540 3.092 33 2HG1 VAL 4 2HG1 VAL 4 -10.076 7.635 1.952 34 3HG1 VAL 4 3HG1 VAL 4 -11.779 7.223 2.155 35 1HG2 VAL 4 1HG2 VAL 4 -11.736 6.994 5.472 36 2HG2 VAL 4 2HG2 VAL 4 -12.625 6.395 4.073 37 3HG2 VAL 4 3HG2 VAL 4 -11.645 5.290 5.032 38 H LEU 5 H LEU 5 -7.544 4.675 3.496 39 HA LEU 5 HA LEU 5 -8.011 2.729 5.592 40 1HB LEU 5 1HB LEU 5 -5.428 2.543 5.387 41 2HB LEU 5 2HB LEU 5 -6.482 1.819 4.207 42 HG LEU 5 HG LEU 5 -6.060 3.671 2.683 43 1HD1 LEU 5 1HD1 LEU 5 -5.161 4.987 4.964 44 2HD1 LEU 5 2HD1 LEU 5 -3.761 4.787 3.921 45 3HD1 LEU 5 3HD1 LEU 5 -5.209 5.586 3.312 46 1HD2 LEU 5 1HD2 LEU 5 -4.425 1.580 3.273 47 2HD2 LEU 5 2HD2 LEU 5 -4.250 2.646 1.878 48 3HD2 LEU 5 3HD2 LEU 5 -3.314 2.948 3.345 49 H SER 6 H SER 6 -7.120 2.737 7.618 50 HA SER 6 HA SER 6 -6.774 5.407 8.727 51 1HB SER 6 1HB SER 6 -7.244 4.460 10.842 52 2HB SER 6 2HB SER 6 -8.303 3.595 9.728 53 HG SER 6 HG SER 6 -6.450 2.027 9.656 54 H ARG 7 H ARG 7 -5.202 5.123 10.857 55 HA ARG 7 HA ARG 7 -2.610 5.258 9.833 56 1HB ARG 7 1HB ARG 7 -3.369 4.664 12.696 57 2HB ARG 7 2HB ARG 7 -1.859 5.367 12.131 58 1HG ARG 7 1HG ARG 7 -2.941 7.387 11.499 59 2HG ARG 7 2HG ARG 7 -4.537 6.682 11.756 60 1HD ARG 7 1HD ARG 7 -4.481 7.068 13.960 61 2HD ARG 7 2HD ARG 7 -2.807 6.529 14.102 62 HE ARG 7 HE ARG 7 -3.096 9.107 12.862 63 1HH1 ARG 7 1HH1 ARG 7 -2.183 8.782 16.748 64 2HH1 ARG 7 2HH1 ARG 7 -2.807 7.409 15.897 65 1HH2 ARG 7 1HH2 ARG 7 -1.882 10.771 15.659 66 2HH2 ARG 7 2HH2 ARG 7 -2.274 10.911 13.978 67 H ALA 8 H ALA 8 -4.345 2.597 11.360 68 HA ALA 8 HA ALA 8 -2.176 0.832 11.617 69 1HB ALA 8 1HB ALA 8 -5.088 0.661 11.795 70 2HB ALA 8 2HB ALA 8 -4.320 -0.829 11.245 71 3HB ALA 8 3HB ALA 8 -3.842 -0.105 12.781 72 H ASP 9 H ASP 9 -4.599 1.150 9.010 73 HA ASP 9 HA ASP 9 -3.526 -0.908 7.408 74 1HB ASP 9 1HB ASP 9 -5.052 1.503 6.445 75 2HB ASP 9 2HB ASP 9 -4.953 -0.066 5.669 76 H LYS 10 H LYS 10 -3.228 2.646 7.037 77 HA LYS 10 HA LYS 10 -1.408 2.606 4.935 78 1HB LYS 10 1HB LYS 10 -0.766 4.875 5.612 79 2HB LYS 10 2HB LYS 10 -2.509 4.658 5.656 80 1HG LYS 10 1HG LYS 10 -2.624 5.092 7.835 81 2HG LYS 10 2HG LYS 10 -1.227 4.085 8.197 82 1HD LYS 10 1HD LYS 10 0.126 5.853 8.318 83 2HD LYS 10 2HD LYS 10 -0.467 6.495 6.784 84 1HE LYS 10 1HE LYS 10 -2.490 7.315 8.053 85 2HE LYS 10 2HE LYS 10 -1.632 6.892 9.532 86 1HZ LYS 10 1HZ LYS 10 -1.471 9.266 8.211 87 2HZ LYS 10 2HZ LYS 10 -0.397 8.718 9.398 88 3HZ LYS 10 3HZ LYS 10 -0.040 8.480 7.762 89 H GLU 11 H GLU 11 -0.942 2.109 8.347 90 HA GLU 11 HA GLU 11 1.883 2.335 8.396 91 1HB GLU 11 1HB GLU 11 -0.217 1.270 10.194 92 2HB GLU 11 2HB GLU 11 1.384 0.576 10.397 93 1HG GLU 11 1HG GLU 11 2.247 2.943 10.562 94 2HG GLU 11 2HG GLU 11 0.563 3.446 10.690 95 H ARG 12 H ARG 12 -0.368 -0.291 7.772 96 HA ARG 12 HA ARG 12 1.487 -2.406 7.674 97 1HB ARG 12 1HB ARG 12 -0.837 -2.937 7.828 98 2HB ARG 12 2HB ARG 12 -1.216 -2.003 6.391 99 1HG ARG 12 1HG ARG 12 -1.315 -4.393 5.957 100 2HG ARG 12 2HG ARG 12 -0.048 -3.618 5.005 101 1HD ARG 12 1HD ARG 12 1.186 -5.347 5.763 102 2HD ARG 12 2HD ARG 12 1.372 -4.314 7.177 103 HE ARG 12 HE ARG 12 -0.695 -5.606 7.997 104 1HH1 ARG 12 1HH1 ARG 12 1.631 -8.577 6.649 105 2HH1 ARG 12 2HH1 ARG 12 1.873 -6.971 6.053 106 1HH2 ARG 12 1HH2 ARG 12 0.006 -9.002 8.194 107 2HH2 ARG 12 2HH2 ARG 12 -1.002 -7.716 8.776 108 H LEU 13 H LEU 13 0.561 0.056 5.390 109 HA LEU 13 HA LEU 13 1.719 -1.140 3.079 110 1HB LEU 13 1HB LEU 13 0.035 0.542 2.805 111 2HB LEU 13 2HB LEU 13 0.936 1.686 3.776 112 HG LEU 13 HG LEU 13 2.717 1.277 1.790 113 1HD1 LEU 13 1HD1 LEU 13 0.709 -0.172 0.792 114 2HD1 LEU 13 2HD1 LEU 13 0.239 1.415 0.181 115 3HD1 LEU 13 3HD1 LEU 13 1.820 0.748 -0.223 116 1HD2 LEU 13 1HD2 LEU 13 1.564 3.380 2.741 117 2HD2 LEU 13 2HD2 LEU 13 2.178 3.424 1.085 118 3HD2 LEU 13 3HD2 LEU 13 0.452 3.195 1.380 119 H LEU 14 H LEU 14 2.865 0.879 5.683 120 HA LEU 14 HA LEU 14 5.333 1.607 4.460 121 1HB LEU 14 1HB LEU 14 4.147 1.820 7.182 122 2HB LEU 14 2HB LEU 14 5.885 1.992 7.027 123 HG LEU 14 HG LEU 14 3.762 3.710 5.752 124 1HD1 LEU 14 1HD1 LEU 14 5.166 5.467 7.019 125 2HD1 LEU 14 2HD1 LEU 14 4.034 4.463 7.924 126 3HD1 LEU 14 3HD1 LEU 14 5.757 4.090 7.947 127 1HD2 LEU 14 1HD2 LEU 14 6.282 4.841 5.315 128 2HD2 LEU 14 2HD2 LEU 14 6.434 3.147 4.851 129 3HD2 LEU 14 3HD2 LEU 14 5.190 4.154 4.113 130 H GLU 15 H GLU 15 4.327 -0.930 6.714 131 HA GLU 15 HA GLU 15 6.813 -1.966 7.389 132 1HB GLU 15 1HB GLU 15 4.459 -2.624 8.228 133 2HB GLU 15 2HB GLU 15 4.435 -3.733 6.864 134 1HG GLU 15 1HG GLU 15 6.196 -5.008 7.719 135 2HG GLU 15 2HG GLU 15 6.677 -3.746 8.851 136 H LEU 16 H LEU 16 4.729 -2.769 4.635 137 HA LEU 16 HA LEU 16 6.619 -4.617 3.517 138 1HB LEU 16 1HB LEU 16 4.088 -3.381 2.452 139 2HB LEU 16 2HB LEU 16 5.059 -4.510 1.529 140 HG LEU 16 HG LEU 16 4.066 -5.292 4.240 141 1HD1 LEU 16 1HD1 LEU 16 2.431 -5.930 1.838 142 2HD1 LEU 16 2HD1 LEU 16 1.957 -5.820 3.533 143 3HD1 LEU 16 3HD1 LEU 16 2.238 -4.350 2.598 144 1HD2 LEU 16 1HD2 LEU 16 5.325 -7.031 3.573 145 2HD2 LEU 16 2HD2 LEU 16 3.906 -7.453 2.617 146 3HD2 LEU 16 3HD2 LEU 16 5.243 -6.575 1.873 147 H LEU 17 H LEU 17 6.261 -1.236 3.483 148 HA LEU 17 HA LEU 17 7.595 -0.862 0.930 149 1HB LEU 17 1HB LEU 17 6.179 0.859 2.870 150 2HB LEU 17 2HB LEU 17 7.467 1.618 1.959 151 HG LEU 17 HG LEU 17 5.055 1.777 1.070 152 1HD1 LEU 17 1HD1 LEU 17 7.371 0.917 -0.646 153 2HD1 LEU 17 2HD1 LEU 17 5.878 1.616 -1.269 154 3HD1 LEU 17 3HD1 LEU 17 6.913 2.563 -0.202 155 1HD2 LEU 17 1HD2 LEU 17 5.433 -0.634 -0.511 156 2HD2 LEU 17 2HD2 LEU 17 5.183 -0.976 1.201 157 3HD2 LEU 17 3HD2 LEU 17 3.993 -0.030 0.309 158 H LYS 18 H LYS 18 8.589 -1.459 4.074 159 HA LYS 18 HA LYS 18 10.563 -1.175 5.191 160 1HB LYS 18 1HB LYS 18 11.201 -1.624 2.391 161 2HB LYS 18 2HB LYS 18 12.442 -0.685 3.205 162 1HG LYS 18 1HG LYS 18 13.270 -2.549 4.065 163 2HG LYS 18 2HG LYS 18 11.750 -2.817 4.924 164 1HD LYS 18 1HD LYS 18 11.184 -3.600 2.331 165 2HD LYS 18 2HD LYS 18 12.835 -4.166 2.585 166 1HE LYS 18 1HE LYS 18 11.732 -5.960 3.428 167 2HE LYS 18 2HE LYS 18 11.779 -4.975 4.891 168 1HZ LYS 18 1HZ LYS 18 9.516 -5.424 3.045 169 2HZ LYS 18 2HZ LYS 18 9.577 -5.660 4.719 170 3HZ LYS 18 3HZ LYS 18 9.542 -4.091 4.088 171 H LEU 19 H LEU 19 8.938 1.180 4.251 172 HA LEU 19 HA LEU 19 10.958 3.301 4.378 173 1HB LEU 19 1HB LEU 19 9.452 3.222 2.405 174 2HB LEU 19 2HB LEU 19 8.077 3.401 3.474 175 HG LEU 19 HG LEU 19 10.049 5.524 3.818 176 1HD1 LEU 19 1HD1 LEU 19 9.377 4.715 1.131 177 2HD1 LEU 19 2HD1 LEU 19 8.781 6.339 1.472 178 3HD1 LEU 19 3HD1 LEU 19 10.491 5.965 1.685 179 1HD2 LEU 19 1HD2 LEU 19 8.003 5.932 4.805 180 2HD2 LEU 19 2HD2 LEU 19 7.846 6.812 3.285 181 3HD2 LEU 19 3HD2 LEU 19 7.100 5.229 3.463 182 HA PRO 20 HA PRO 20 9.677 3.531 8.716 183 1HB PRO 20 1HB PRO 20 11.102 6.131 8.346 184 2HB PRO 20 2HB PRO 20 11.232 4.949 9.656 185 1HG PRO 20 1HG PRO 20 13.103 5.085 7.774 186 2HG PRO 20 2HG PRO 20 12.570 3.519 8.414 187 1HD PRO 20 1HD PRO 20 11.971 4.798 5.795 188 2HD PRO 20 2HD PRO 20 12.142 3.080 6.203 189 H ARG 21 H ARG 21 8.563 5.103 10.071 190 HA ARG 21 HA ARG 21 6.418 6.405 8.613 191 1HB ARG 21 1HB ARG 21 6.773 5.211 11.230 192 2HB ARG 21 2HB ARG 21 6.024 6.795 11.355 193 1HG ARG 21 1HG ARG 21 4.340 6.029 9.659 194 2HG ARG 21 2HG ARG 21 5.029 4.411 9.817 195 1HD ARG 21 1HD ARG 21 4.130 4.079 11.864 196 2HD ARG 21 2HD ARG 21 4.338 5.762 12.340 197 HE ARG 21 HE ARG 21 2.205 4.971 10.475 198 1HH1 ARG 21 1HH1 ARG 21 1.642 7.100 13.823 199 2HH1 ARG 21 2HH1 ARG 21 3.211 6.457 13.480 200 1HH2 ARG 21 1HH2 ARG 21 -0.093 6.737 12.392 201 2HH2 ARG 21 2HH2 ARG 21 0.144 5.812 10.946 202 H GLN 22 H GLN 22 9.399 7.349 9.664 203 HA GLN 22 HA GLN 22 8.693 9.929 10.741 204 1HB GLN 22 1HB GLN 22 10.955 8.265 10.789 205 2HB GLN 22 2HB GLN 22 11.452 9.703 9.908 206 1HG GLN 22 1HG GLN 22 11.779 10.705 11.851 207 2HG GLN 22 2HG GLN 22 10.040 10.648 12.123 208 1HE2 GLN 22 1HE2 GLN 22 12.546 8.438 14.340 209 2HE2 GLN 22 2HE2 GLN 22 13.074 9.578 13.154 210 H LEU 23 H LEU 23 9.632 8.588 7.674 211 HA LEU 23 HA LEU 23 9.694 11.279 6.510 212 1HB LEU 23 1HB LEU 23 11.000 10.446 4.725 213 2HB LEU 23 2HB LEU 23 11.698 9.826 6.202 214 HG LEU 23 HG LEU 23 11.809 8.082 4.600 215 1HD1 LEU 23 1HD1 LEU 23 10.619 6.300 5.607 216 2HD1 LEU 23 2HD1 LEU 23 11.003 7.448 6.895 217 3HD1 LEU 23 3HD1 LEU 23 9.376 7.394 6.217 218 1HD2 LEU 23 1HD2 LEU 23 10.180 7.457 3.123 219 2HD2 LEU 23 2HD2 LEU 23 8.877 8.068 4.139 220 3HD2 LEU 23 3HD2 LEU 23 9.893 9.192 3.239 221 H TRP 24 H TRP 24 7.382 9.297 7.144 222 HA TRP 24 HA TRP 24 6.139 8.446 4.818 223 1HB TRP 24 1HB TRP 24 5.290 7.783 6.958 224 2HB TRP 24 2HB TRP 24 4.994 9.450 7.427 225 HD1 TRP 24 HD1 TRP 24 2.702 10.528 6.711 226 HE1 TRP 24 HE1 TRP 24 0.557 9.573 5.654 227 HE3 TRP 24 HE3 TRP 24 4.495 5.995 5.176 228 HZ2 TRP 24 HZ2 TRP 24 -0.268 7.206 4.352 229 HZ3 TRP 24 HZ3 TRP 24 2.963 4.441 4.029 230 HH2 TRP 24 HH2 TRP 24 0.634 5.041 3.625 231 H GLY 25 H GLY 25 6.207 9.826 3.088 232 1HA GLY 25 1HA GLY 25 4.219 11.564 2.523 233 2HA GLY 25 2HA GLY 25 5.382 12.588 3.347 234 H ASP 26 H ASP 26 7.617 10.904 2.210 235 HA ASP 26 HA ASP 26 7.975 12.463 -0.174 236 1HB ASP 26 1HB ASP 26 9.772 11.718 1.534 237 2HB ASP 26 2HB ASP 26 9.765 10.194 0.651 238 H PHE 27 H PHE 27 6.585 11.854 -1.774 239 HA PHE 27 HA PHE 27 5.734 9.311 -2.430 240 1HB PHE 27 1HB PHE 27 4.832 11.426 -3.389 241 2HB PHE 27 2HB PHE 27 6.269 11.535 -4.403 242 HD1 PHE 27 HD1 PHE 27 3.974 8.744 -3.493 243 HD2 PHE 27 HD2 PHE 27 5.748 11.060 -6.590 244 HE1 PHE 27 HE1 PHE 27 2.890 7.316 -5.175 245 HE2 PHE 27 HE2 PHE 27 4.663 9.637 -8.281 246 HZ PHE 27 HZ PHE 27 3.232 7.761 -7.573 247 H GLY 28 H GLY 28 8.688 10.961 -3.379 248 1HA GLY 28 1HA GLY 28 9.525 9.153 -5.364 249 2HA GLY 28 2HA GLY 28 10.569 10.239 -4.463 250 H ARG 29 H ARG 29 9.957 9.090 -1.864 251 HA ARG 29 HA ARG 29 11.823 6.902 -1.992 252 1HB ARG 29 1HB ARG 29 10.391 8.164 0.349 253 2HB ARG 29 2HB ARG 29 11.637 6.930 0.486 254 1HG ARG 29 1HG ARG 29 13.152 8.516 -0.777 255 2HG ARG 29 2HG ARG 29 11.919 9.748 -0.504 256 1HD ARG 29 1HD ARG 29 12.238 9.738 1.796 257 2HD ARG 29 2HD ARG 29 12.985 8.141 1.780 258 HE ARG 29 HE ARG 29 14.352 10.456 0.588 259 1HH1 ARG 29 1HH1 ARG 29 15.955 8.016 3.333 260 2HH1 ARG 29 2HH1 ARG 29 14.289 7.834 2.903 261 1HH2 ARG 29 1HH2 ARG 29 17.228 9.638 2.348 262 2HH2 ARG 29 2HH2 ARG 29 16.533 10.690 1.160 263 H MET 30 H MET 30 8.413 7.282 -1.064 264 HA MET 30 HA MET 30 8.006 4.615 -0.267 265 1HB MET 30 1HB MET 30 5.592 5.099 -0.612 266 2HB MET 30 2HB MET 30 6.418 6.309 0.359 267 1HG MET 30 1HG MET 30 6.577 7.761 -1.603 268 2HG MET 30 2HG MET 30 5.718 6.554 -2.555 269 1HE MET 30 1HE MET 30 5.663 8.451 0.717 270 2HE MET 30 2HE MET 30 3.979 8.908 0.970 271 3HE MET 30 3HE MET 30 4.498 7.251 1.278 272 H GLN 31 H GLN 31 7.479 6.216 -3.401 273 HA GLN 31 HA GLN 31 6.473 3.927 -4.717 274 1HB GLN 31 1HB GLN 31 6.386 6.394 -5.470 275 2HB GLN 31 2HB GLN 31 7.999 6.115 -6.111 276 1HG GLN 31 1HG GLN 31 7.012 4.172 -7.393 277 2HG GLN 31 2HG GLN 31 5.430 4.796 -6.927 278 1HE2 GLN 31 1HE2 GLN 31 5.435 6.654 -9.845 279 2HE2 GLN 31 2HE2 GLN 31 4.695 5.430 -8.873 280 H GLN 32 H GLN 32 9.724 5.148 -4.181 281 HA GLN 32 HA GLN 32 11.082 3.464 -5.981 282 1HB GLN 32 1HB GLN 32 11.809 5.437 -4.176 283 2HB GLN 32 2HB GLN 32 12.549 3.991 -3.510 284 1HG GLN 32 1HG GLN 32 14.227 4.645 -4.873 285 2HG GLN 32 2HG GLN 32 13.312 3.676 -6.026 286 1HE2 GLN 32 1HE2 GLN 32 13.498 7.732 -6.382 287 2HE2 GLN 32 2HE2 GLN 32 13.960 6.941 -4.919 288 H ALA 33 H ALA 33 10.228 3.074 -2.567 289 HA ALA 33 HA ALA 33 11.392 0.485 -2.324 290 1HB ALA 33 1HB ALA 33 9.204 1.528 -0.557 291 2HB ALA 33 2HB ALA 33 10.538 0.450 -0.152 292 3HB ALA 33 3HB ALA 33 10.848 2.156 -0.458 293 H TYR 34 H TYR 34 8.093 1.676 -2.893 294 HA TYR 34 HA TYR 34 6.679 -0.687 -2.771 295 1HB TYR 34 1HB TYR 34 5.616 1.513 -3.124 296 2HB TYR 34 2HB TYR 34 6.259 1.555 -4.762 297 HD1 TYR 34 HD1 TYR 34 5.570 -0.378 -6.328 298 HD2 TYR 34 HD2 TYR 34 3.496 0.585 -2.730 299 HE1 TYR 34 HE1 TYR 34 3.598 -1.591 -7.150 300 HE2 TYR 34 HE2 TYR 34 1.526 -0.642 -3.548 301 HH TYR 34 HH TYR 34 0.703 -1.240 -6.215 302 H LYS 35 H LYS 35 8.331 0.694 -5.597 303 HA LYS 35 HA LYS 35 7.752 -1.447 -7.347 304 1HB LYS 35 1HB LYS 35 8.731 1.023 -7.707 305 2HB LYS 35 2HB LYS 35 10.242 0.123 -7.746 306 1HG LYS 35 1HG LYS 35 9.360 -1.270 -9.554 307 2HG LYS 35 2HG LYS 35 7.852 -0.352 -9.518 308 1HD LYS 35 1HD LYS 35 9.552 1.680 -9.796 309 2HD LYS 35 2HD LYS 35 10.529 0.416 -10.546 310 1HE LYS 35 1HE LYS 35 9.388 0.898 -12.411 311 2HE LYS 35 2HE LYS 35 8.072 -0.008 -11.669 312 1HZ LYS 35 1HZ LYS 35 8.468 2.928 -11.456 313 2HZ LYS 35 2HZ LYS 35 7.344 2.161 -12.461 314 3HZ LYS 35 3HZ LYS 35 7.190 2.048 -10.781 315 H GLN 36 H GLN 36 10.258 -0.911 -4.984 316 HA GLN 36 HA GLN 36 12.033 -2.943 -5.912 317 1HB GLN 36 1HB GLN 36 11.955 -1.003 -3.780 318 2HB GLN 36 2HB GLN 36 12.442 -2.569 -3.147 319 1HG GLN 36 1HG GLN 36 14.341 -1.170 -3.827 320 2HG GLN 36 2HG GLN 36 14.262 -2.696 -4.704 321 1HE2 GLN 36 1HE2 GLN 36 14.057 0.839 -6.633 322 2HE2 GLN 36 2HE2 GLN 36 14.176 0.722 -4.914 323 H GLN 37 H GLN 37 9.715 -2.770 -3.229 324 HA GLN 37 HA GLN 37 10.055 -5.485 -2.464 325 1HB GLN 37 1HB GLN 37 7.750 -3.636 -1.870 326 2HB GLN 37 2HB GLN 37 8.217 -5.069 -0.958 327 1HG GLN 37 1HG GLN 37 9.893 -2.587 -1.275 328 2HG GLN 37 2HG GLN 37 8.920 -2.983 0.134 329 1HE2 GLN 37 1HE2 GLN 37 11.070 -5.679 1.139 330 2HE2 GLN 37 2HE2 GLN 37 9.396 -5.289 0.969 331 H SER 38 H SER 38 8.280 -3.964 -4.950 332 HA SER 38 HA SER 38 6.153 -5.836 -5.193 333 1HB SER 38 1HB SER 38 7.353 -3.781 -7.040 334 2HB SER 38 2HB SER 38 6.108 -4.892 -7.609 335 HG SER 38 HG SER 38 5.499 -3.684 -5.221 336 H LEU 39 H LEU 39 9.444 -5.685 -6.352 337 HA LEU 39 HA LEU 39 9.232 -7.740 -8.299 338 1HB LEU 39 1HB LEU 39 11.511 -6.417 -6.875 339 2HB LEU 39 2HB LEU 39 11.801 -7.832 -7.869 340 HG LEU 39 HG LEU 39 10.471 -5.328 -8.896 341 1HD1 LEU 39 1HD1 LEU 39 12.824 -5.224 -10.086 342 2HD1 LEU 39 2HD1 LEU 39 12.553 -4.483 -8.508 343 3HD1 LEU 39 3HD1 LEU 39 13.336 -6.059 -8.619 344 1HD2 LEU 39 1HD2 LEU 39 11.632 -6.604 -11.004 345 2HD2 LEU 39 2HD2 LEU 39 11.105 -7.961 -10.009 346 3HD2 LEU 39 3HD2 LEU 39 9.937 -6.753 -10.541 347 H LEU 40 H LEU 40 9.911 -7.720 -4.848 348 HA LEU 40 HA LEU 40 10.570 -10.546 -4.865 349 1HB LEU 40 1HB LEU 40 10.964 -10.319 -2.495 350 2HB LEU 40 2HB LEU 40 11.783 -9.037 -3.366 351 HG LEU 40 HG LEU 40 9.629 -7.658 -2.763 352 1HD1 LEU 40 1HD1 LEU 40 9.606 -9.916 -0.782 353 2HD1 LEU 40 2HD1 LEU 40 8.886 -8.344 -0.438 354 3HD1 LEU 40 3HD1 LEU 40 8.279 -9.316 -1.774 355 1HD2 LEU 40 1HD2 LEU 40 12.026 -8.298 -1.109 356 2HD2 LEU 40 2HD2 LEU 40 11.604 -6.807 -1.951 357 3HD2 LEU 40 3HD2 LEU 40 10.779 -7.237 -0.453 358 H LEU 41 H LEU 41 7.767 -8.637 -4.613 359 HA LEU 41 HA LEU 41 6.293 -10.697 -3.156 360 1HB LEU 41 1HB LEU 41 5.583 -7.915 -4.063 361 2HB LEU 41 2HB LEU 41 4.377 -9.027 -3.444 362 HG LEU 41 HG LEU 41 6.785 -8.039 -1.917 363 1HD1 LEU 41 1HD1 LEU 41 4.170 -6.910 -2.352 364 2HD1 LEU 41 2HD1 LEU 41 4.428 -7.269 -0.645 365 3HD1 LEU 41 3HD1 LEU 41 5.562 -6.232 -1.509 366 1HD2 LEU 41 1HD2 LEU 41 4.622 -9.235 -0.400 367 2HD2 LEU 41 2HD2 LEU 41 5.344 -10.371 -1.536 368 3HD2 LEU 41 3HD2 LEU 41 6.354 -9.557 -0.345 369 H HIS 42 H HIS 42 7.296 -10.431 -6.185 370 HA HIS 42 HA HIS 42 4.800 -11.008 -7.551 371 1HB HIS 42 1HB HIS 42 6.797 -9.602 -8.456 372 2HB HIS 42 2HB HIS 42 7.523 -11.166 -8.811 373 HD1 HIS 42 HD1 HIS 42 4.373 -9.207 -9.629 374 HD2 HIS 42 HD2 HIS 42 6.745 -12.243 -11.179 375 HE1 HIS 42 HE1 HIS 42 3.431 -9.699 -11.910 376 HE2 HIS 42 HE2 HIS 42 4.822 -11.606 -12.787 377 HA PRO 43 HA PRO 43 5.112 -15.388 -7.134 378 1HB PRO 43 1HB PRO 43 3.823 -16.165 -9.418 379 2HB PRO 43 2HB PRO 43 3.001 -15.588 -7.965 380 1HG PRO 43 1HG PRO 43 3.665 -14.111 -10.477 381 2HG PRO 43 2HG PRO 43 2.187 -14.055 -9.502 382 1HD PRO 43 1HD PRO 43 4.068 -12.132 -9.368 383 2HD PRO 43 2HD PRO 43 3.115 -12.610 -7.953 384 H ASP 44 H ASP 44 6.645 -13.709 -9.688 385 HA ASP 44 HA ASP 44 7.774 -16.089 -10.895 386 1HB ASP 44 1HB ASP 44 7.201 -13.897 -12.122 387 2HB ASP 44 2HB ASP 44 8.697 -13.276 -11.427 388 H LYS 45 H LYS 45 8.515 -13.962 -8.322 389 HA LYS 45 HA LYS 45 11.268 -15.007 -8.215 390 1HB LYS 45 1HB LYS 45 10.297 -12.505 -6.842 391 2HB LYS 45 2HB LYS 45 11.959 -13.024 -7.093 392 1HG LYS 45 1HG LYS 45 10.214 -12.493 -9.452 393 2HG LYS 45 2HG LYS 45 10.931 -11.145 -8.568 394 1HD LYS 45 1HD LYS 45 13.101 -11.789 -9.097 395 2HD LYS 45 2HD LYS 45 12.623 -13.449 -9.460 396 1HE LYS 45 1HE LYS 45 11.633 -12.812 -11.513 397 2HE LYS 45 2HE LYS 45 11.713 -11.099 -11.101 398 1HZ LYS 45 1HZ LYS 45 14.016 -11.065 -11.416 399 2HZ LYS 45 2HZ LYS 45 14.151 -12.750 -11.387 400 3HZ LYS 45 3HZ LYS 45 13.435 -11.985 -12.714 401 H GLY 46 H GLY 46 8.856 -16.316 -7.223 402 1HA GLY 46 1HA GLY 46 8.386 -17.643 -5.395 403 2HA GLY 46 2HA GLY 46 9.814 -16.985 -4.609 404 H GLY 47 H GLY 47 7.179 -15.012 -5.846 405 1HA GLY 47 1HA GLY 47 6.635 -14.174 -3.072 406 2HA GLY 47 2HA GLY 47 6.352 -13.190 -4.499 407 H SER 48 H SER 48 4.433 -13.578 -2.520 408 HA SER 48 HA SER 48 2.560 -15.558 -3.533 409 1HB SER 48 1HB SER 48 2.931 -14.093 -1.035 410 2HB SER 48 2HB SER 48 1.248 -14.107 -1.562 411 HG SER 48 HG SER 48 2.794 -16.140 -0.587 412 H HIS 49 H HIS 49 0.517 -15.068 -4.372 413 HA HIS 49 HA HIS 49 0.398 -12.668 -5.917 414 1HB HIS 49 1HB HIS 49 -0.678 -15.139 -6.229 415 2HB HIS 49 2HB HIS 49 -2.075 -14.261 -5.613 416 HD1 HIS 49 HD1 HIS 49 -3.278 -14.417 -7.897 417 HD2 HIS 49 HD2 HIS 49 0.357 -12.408 -8.023 418 HE1 HIS 49 HE1 HIS 49 -3.226 -13.258 -10.130 419 HE2 HIS 49 HE2 HIS 49 -0.989 -12.102 -10.209 420 H ALA 50 H ALA 50 -1.323 -13.900 -3.080 421 HA ALA 50 HA ALA 50 -3.136 -11.752 -2.826 422 1HB ALA 50 1HB ALA 50 -2.182 -13.937 -1.051 423 2HB ALA 50 2HB ALA 50 -3.038 -12.581 -0.316 424 3HB ALA 50 3HB ALA 50 -3.817 -13.539 -1.575 425 H LEU 51 H LEU 51 0.177 -12.188 -1.838 426 HA LEU 51 HA LEU 51 0.301 -10.077 0.044 427 1HB LEU 51 1HB LEU 51 2.223 -11.785 -1.408 428 2HB LEU 51 2HB LEU 51 2.843 -10.239 -0.859 429 HG LEU 51 HG LEU 51 1.926 -10.884 1.449 430 1HD1 LEU 51 1HD1 LEU 51 2.253 -13.711 0.873 431 2HD1 LEU 51 2HD1 LEU 51 1.000 -12.879 1.795 432 3HD1 LEU 51 3HD1 LEU 51 0.865 -13.008 0.042 433 1HD2 LEU 51 1HD2 LEU 51 4.041 -11.372 1.953 434 2HD2 LEU 51 2HD2 LEU 51 4.017 -12.842 0.977 435 3HD2 LEU 51 3HD2 LEU 51 4.373 -11.288 0.224 436 H MET 52 H MET 52 1.192 -10.259 -3.392 437 HA MET 52 HA MET 52 1.982 -7.565 -3.645 438 1HB MET 52 1HB MET 52 1.841 -9.832 -5.309 439 2HB MET 52 2HB MET 52 0.880 -8.594 -6.105 440 1HG MET 52 1HG MET 52 3.712 -8.221 -5.163 441 2HG MET 52 2HG MET 52 3.244 -8.629 -6.813 442 1HE MET 52 1HE MET 52 3.663 -4.690 -4.880 443 2HE MET 52 2HE MET 52 2.280 -5.476 -4.119 444 3HE MET 52 3HE MET 52 3.839 -6.296 -4.181 445 H GLN 53 H GLN 53 -1.122 -9.104 -3.616 446 HA GLN 53 HA GLN 53 -2.569 -7.003 -4.900 447 1HB GLN 53 1HB GLN 53 -3.374 -9.369 -3.222 448 2HB GLN 53 2HB GLN 53 -4.554 -8.181 -3.756 449 1HG GLN 53 1HG GLN 53 -2.777 -9.808 -5.560 450 2HG GLN 53 2HG GLN 53 -4.471 -10.142 -5.217 451 1HE2 GLN 53 1HE2 GLN 53 -3.456 -7.602 -8.114 452 2HE2 GLN 53 2HE2 GLN 53 -2.338 -8.614 -7.270 453 H GLU 54 H GLU 54 -1.673 -7.747 -1.591 454 HA GLU 54 HA GLU 54 -3.409 -5.950 -0.291 455 1HB GLU 54 1HB GLU 54 -1.623 -7.829 0.537 456 2HB GLU 54 2HB GLU 54 -0.757 -6.353 0.934 457 1HG GLU 54 1HG GLU 54 -1.945 -6.178 2.785 458 2HG GLU 54 2HG GLU 54 -3.403 -5.988 1.811 459 H LEU 55 H LEU 55 0.029 -5.583 -1.172 460 HA LEU 55 HA LEU 55 0.328 -2.937 -0.357 461 1HB LEU 55 1HB LEU 55 2.022 -4.750 -1.246 462 2HB LEU 55 2HB LEU 55 1.754 -3.941 -2.777 463 HG LEU 55 HG LEU 55 2.634 -1.883 -1.942 464 1HD1 LEU 55 1HD1 LEU 55 2.045 -3.075 0.646 465 2HD1 LEU 55 2HD1 LEU 55 3.640 -2.329 0.579 466 3HD1 LEU 55 3HD1 LEU 55 2.207 -1.379 0.189 467 1HD2 LEU 55 1HD2 LEU 55 4.131 -4.363 -1.799 468 2HD2 LEU 55 2HD2 LEU 55 4.578 -2.811 -2.507 469 3HD2 LEU 55 3HD2 LEU 55 4.831 -3.099 -0.786 470 H ASN 56 H ASN 56 -0.609 -4.239 -3.524 471 HA ASN 56 HA ASN 56 -0.742 -1.820 -4.911 472 1HB ASN 56 1HB ASN 56 -1.587 -4.558 -5.336 473 2HB ASN 56 2HB ASN 56 -2.774 -3.426 -5.977 474 1HD2 ASN 56 1HD2 ASN 56 0.882 -3.836 -7.697 475 2HD2 ASN 56 2HD2 ASN 56 0.520 -4.542 -6.162 476 H SER 57 H SER 57 -3.151 -3.455 -2.907 477 HA SER 57 HA SER 57 -5.271 -1.653 -3.503 478 1HB SER 57 1HB SER 57 -5.757 -3.878 -2.645 479 2HB SER 57 2HB SER 57 -4.878 -3.525 -1.157 480 HG SER 57 HG SER 57 -7.036 -1.903 -1.955 481 H LEU 58 H LEU 58 -2.992 -1.917 -0.791 482 HA LEU 58 HA LEU 58 -4.003 0.349 0.598 483 1HB LEU 58 1HB LEU 58 -1.516 -1.302 0.785 484 2HB LEU 58 2HB LEU 58 -1.632 0.201 1.680 485 HG LEU 58 HG LEU 58 -3.960 -1.527 2.054 486 1HD1 LEU 58 1HD1 LEU 58 -2.349 -3.306 1.800 487 2HD1 LEU 58 2HD1 LEU 58 -1.241 -2.504 2.915 488 3HD1 LEU 58 3HD1 LEU 58 -2.778 -3.138 3.503 489 1HD2 LEU 58 1HD2 LEU 58 -2.424 -0.932 4.409 490 2HD2 LEU 58 2HD2 LEU 58 -2.586 0.509 3.407 491 3HD2 LEU 58 3HD2 LEU 58 -4.024 -0.357 3.945 492 H TRP 59 H TRP 59 -1.764 -0.071 -2.012 493 HA TRP 59 HA TRP 59 -0.677 2.605 -1.747 494 1HB TRP 59 1HB TRP 59 0.871 0.873 -2.384 495 2HB TRP 59 2HB TRP 59 -0.173 0.354 -3.698 496 HD1 TRP 59 HD1 TRP 59 0.352 1.322 -6.009 497 HE1 TRP 59 HE1 TRP 59 1.877 3.188 -6.912 498 HE3 TRP 59 HE3 TRP 59 1.847 3.392 -1.568 499 HZ2 TRP 59 HZ2 TRP 59 3.498 5.250 -5.885 500 HZ3 TRP 59 HZ3 TRP 59 3.390 5.297 -1.625 501 HH2 TRP 59 HH2 TRP 59 4.196 6.211 -3.738 502 H GLY 60 H GLY 60 -3.362 1.099 -3.122 503 1HA GLY 60 1HA GLY 60 -3.612 2.790 -5.444 504 2HA GLY 60 2HA GLY 60 -4.823 1.681 -4.824 505 H THR 61 H THR 61 -5.674 2.437 -2.532 506 HA THR 61 HA THR 61 -7.098 4.825 -2.904 507 HB THR 61 HB THR 61 -7.261 2.795 -1.110 508 HG1 THR 61 HG1 THR 61 -8.266 5.382 -0.554 509 1HG2 THR 61 1HG2 THR 61 -6.124 5.074 0.452 510 2HG2 THR 61 2HG2 THR 61 -7.086 3.770 1.145 511 3HG2 THR 61 3HG2 THR 61 -5.538 3.410 0.378 512 H PHE 62 H PHE 62 -4.316 4.033 -0.942 513 HA PHE 62 HA PHE 62 -3.589 6.389 0.224 514 1HB PHE 62 1HB PHE 62 -2.329 4.314 0.494 515 2HB PHE 62 2HB PHE 62 -1.822 4.380 -1.191 516 HD1 PHE 62 HD1 PHE 62 -1.897 7.397 0.881 517 HD2 PHE 62 HD2 PHE 62 0.512 4.215 -0.619 518 HE1 PHE 62 HE1 PHE 62 0.131 8.622 1.544 519 HE2 PHE 62 HE2 PHE 62 2.536 5.440 0.049 520 HZ PHE 62 HZ PHE 62 2.345 7.637 1.124 521 H LYS 63 H LYS 63 -2.796 5.298 -3.024 522 HA LYS 63 HA LYS 63 -1.369 7.484 -3.948 523 1HB LYS 63 1HB LYS 63 -2.312 5.085 -4.955 524 2HB LYS 63 2HB LYS 63 -3.105 6.277 -5.952 525 1HG LYS 63 1HG LYS 63 -0.935 7.251 -6.519 526 2HG LYS 63 2HG LYS 63 -0.139 6.050 -5.499 527 1HD LYS 63 1HD LYS 63 -1.625 5.632 -8.077 528 2HD LYS 63 2HD LYS 63 0.046 5.219 -7.692 529 1HE LYS 63 1HE LYS 63 -0.812 3.544 -6.051 530 2HE LYS 63 2HE LYS 63 -2.445 3.901 -6.610 531 1HZ LYS 63 1HZ LYS 63 -1.169 3.398 -8.919 532 2HZ LYS 63 2HZ LYS 63 -0.375 2.335 -7.871 533 3HZ LYS 63 3HZ LYS 63 -2.056 2.250 -8.046 534 H THR 64 H THR 64 -4.883 6.905 -4.014 535 HA THR 64 HA THR 64 -5.732 9.027 -5.537 536 HB THR 64 HB THR 64 -7.004 8.086 -2.954 537 HG1 THR 64 HG1 THR 64 -8.219 6.750 -4.403 538 1HG2 THR 64 1HG2 THR 64 -9.070 8.884 -3.770 539 2HG2 THR 64 2HG2 THR 64 -7.918 10.213 -3.907 540 3HG2 THR 64 3HG2 THR 64 -8.371 9.288 -5.338 541 H GLU 65 H GLU 65 -4.583 8.998 -2.239 542 HA GLU 65 HA GLU 65 -5.040 11.839 -1.874 543 1HB GLU 65 1HB GLU 65 -3.409 10.117 -0.027 544 2HB GLU 65 2HB GLU 65 -4.371 11.537 0.355 545 1HG GLU 65 1HG GLU 65 -5.825 9.191 -0.699 546 2HG GLU 65 2HG GLU 65 -5.145 9.051 0.919 547 H VAL 66 H VAL 66 -2.484 9.610 -2.679 548 HA VAL 66 HA VAL 66 -0.228 11.110 -2.240 549 HB VAL 66 HB VAL 66 -0.809 9.120 -4.409 550 1HG1 VAL 66 1HG1 VAL 66 1.302 9.219 -5.253 551 2HG1 VAL 66 2HG1 VAL 66 1.126 10.911 -4.801 552 3HG1 VAL 66 3HG1 VAL 66 1.996 9.805 -3.744 553 1HG2 VAL 66 1HG2 VAL 66 -0.790 8.308 -2.097 554 2HG2 VAL 66 2HG2 VAL 66 0.555 7.650 -3.025 555 3HG2 VAL 66 3HG2 VAL 66 0.830 8.966 -1.883 556 H TYR 67 H TYR 67 -2.561 11.341 -4.848 557 HA TYR 67 HA TYR 67 -1.030 13.111 -6.467 558 1HB TYR 67 1HB TYR 67 -3.737 11.983 -6.494 559 2HB TYR 67 2HB TYR 67 -3.660 13.628 -7.122 560 HD1 TYR 67 HD1 TYR 67 -3.823 13.472 -9.436 561 HD2 TYR 67 HD2 TYR 67 -1.225 10.811 -7.369 562 HE1 TYR 67 HE1 TYR 67 -2.992 12.620 -11.588 563 HE2 TYR 67 HE2 TYR 67 -0.387 9.951 -9.514 564 HH TYR 67 HH TYR 67 -1.783 10.975 -12.586 565 H ASN 68 H ASN 68 -3.119 13.495 -3.724 566 HA ASN 68 HA ASN 68 -3.262 16.381 -4.058 567 1HB ASN 68 1HB ASN 68 -4.639 14.369 -2.372 568 2HB ASN 68 2HB ASN 68 -4.438 15.974 -1.672 569 1HD2 ASN 68 1HD2 ASN 68 -7.425 15.340 -4.136 570 2HD2 ASN 68 2HD2 ASN 68 -6.556 14.139 -3.246 571 H LEU 69 H LEU 69 -1.358 14.040 -2.363 572 HA LEU 69 HA LEU 69 -0.542 15.532 -0.144 573 1HB LEU 69 1HB LEU 69 1.113 13.957 0.184 574 2HB LEU 69 2HB LEU 69 -0.066 13.064 -0.752 575 HG LEU 69 HG LEU 69 1.417 13.797 -2.791 576 1HD1 LEU 69 1HD1 LEU 69 2.954 15.262 -1.769 577 2HD1 LEU 69 2HD1 LEU 69 3.259 14.141 -0.444 578 3HD1 LEU 69 3HD1 LEU 69 3.842 13.771 -2.065 579 1HD2 LEU 69 1HD2 LEU 69 1.748 11.604 -2.793 580 2HD2 LEU 69 2HD2 LEU 69 2.985 11.781 -1.551 581 3HD2 LEU 69 3HD2 LEU 69 1.303 11.529 -1.090 582 H ARG 70 H ARG 70 0.565 15.572 -3.471 583 HA ARG 70 HA ARG 70 2.833 17.200 -2.993 584 1HB ARG 70 1HB ARG 70 1.322 16.487 -5.490 585 2HB ARG 70 2HB ARG 70 2.721 17.556 -5.518 586 1HG ARG 70 1HG ARG 70 3.978 15.676 -4.351 587 2HG ARG 70 2HG ARG 70 2.605 14.650 -4.776 588 1HD ARG 70 1HD ARG 70 3.416 14.379 -6.821 589 2HD ARG 70 2HD ARG 70 3.397 16.122 -7.085 590 HE ARG 70 HE ARG 70 5.647 16.034 -5.866 591 1HH1 ARG 70 1HH1 ARG 70 6.036 12.941 -8.384 592 2HH1 ARG 70 2HH1 ARG 70 4.455 13.493 -7.954 593 1HH2 ARG 70 1HH2 ARG 70 7.889 13.973 -7.533 594 2HH2 ARG 70 2HH2 ARG 70 7.721 15.305 -6.440 595 H MET 71 H MET 71 -0.231 17.972 -2.568 596 HA MET 71 HA MET 71 0.052 20.733 -3.519 597 1HB MET 71 1HB MET 71 -2.380 19.103 -2.799 598 2HB MET 71 2HB MET 71 -2.441 20.844 -3.025 599 1HG MET 71 1HG MET 71 -1.244 20.173 -5.310 600 2HG MET 71 2HG MET 71 -2.129 18.679 -5.008 601 1HE MET 71 1HE MET 71 -4.786 18.919 -6.763 602 2HE MET 71 2HE MET 71 -4.003 20.145 -7.759 603 3HE MET 71 3HE MET 71 -3.047 18.841 -7.054 604 H ASN 72 H ASN 72 -0.359 18.716 -0.709 605 HA ASN 72 HA ASN 72 -1.094 20.707 1.150 606 1HB ASN 72 1HB ASN 72 0.343 18.073 1.519 607 2HB ASN 72 2HB ASN 72 -0.208 19.080 2.854 608 1HD2 ASN 72 1HD2 ASN 72 -3.707 18.578 1.821 609 2HD2 ASN 72 2HD2 ASN 72 -2.640 19.923 2.015 610 H LEU 73 H LEU 73 0.047 22.473 1.566 611 HA LEU 73 HA LEU 73 2.981 22.260 1.674 612 1HB LEU 73 1HB LEU 73 1.146 24.339 0.648 613 2HB LEU 73 2HB LEU 73 2.571 24.916 1.491 614 HG LEU 73 HG LEU 73 2.839 22.903 -0.713 615 1HD1 LEU 73 1HD1 LEU 73 1.574 24.573 -1.795 616 2HD1 LEU 73 2HD1 LEU 73 2.454 25.871 -0.989 617 3HD1 LEU 73 3HD1 LEU 73 3.257 24.890 -2.214 618 1HD2 LEU 73 1HD2 LEU 73 4.952 24.553 -0.877 619 2HD2 LEU 73 2HD2 LEU 73 4.583 24.708 0.839 620 3HD2 LEU 73 3HD2 LEU 73 4.916 23.120 0.150 621 H GLY 74 H GLY 74 0.912 21.783 3.822 622 1HA GLY 74 1HA GLY 74 1.648 22.047 6.148 623 2HA GLY 74 2HA GLY 74 2.008 23.723 5.762 624 H GLY 75 H GLY 75 -0.344 21.521 6.867 625 1HA GLY 75 1HA GLY 75 -2.135 23.693 7.504 626 2HA GLY 75 2HA GLY 75 -2.781 22.570 6.316 627 H THR 76 H THR 76 -1.240 22.605 9.524 628 HA THR 76 HA THR 76 -2.428 20.071 10.225 629 HB THR 76 HB THR 76 -1.436 20.672 12.519 630 HG1 THR 76 HG1 THR 76 -0.673 22.598 12.698 631 1HG2 THR 76 1HG2 THR 76 -0.287 19.471 10.379 632 2HG2 THR 76 2HG2 THR 76 0.841 20.791 10.689 633 3HG2 THR 76 3HG2 THR 76 0.462 19.637 11.967 634 H GLY 77 H GLY 77 -4.410 19.817 10.986 635 1HA GLY 77 1HA GLY 77 -6.036 20.322 12.707 636 2HA GLY 77 2HA GLY 77 -5.619 22.019 12.529 637 H PHE 78 H PHE 78 -5.786 20.491 9.529 638 HA PHE 78 HA PHE 78 -8.332 21.798 8.983 639 1HB PHE 78 1HB PHE 78 -6.018 21.665 7.541 640 2HB PHE 78 2HB PHE 78 -6.970 20.392 6.782 641 HD1 PHE 78 HD1 PHE 78 -8.092 21.043 4.899 642 HD2 PHE 78 HD2 PHE 78 -7.591 23.844 8.063 643 HE1 PHE 78 HE1 PHE 78 -9.307 22.734 3.587 644 HE2 PHE 78 HE2 PHE 78 -8.806 25.541 6.758 645 HZ PHE 78 HZ PHE 78 -9.665 24.987 4.517 646 H GLN 79 H GLN 79 -10.067 20.605 9.455 647 HA GLN 79 HA GLN 79 -10.007 17.719 9.032 648 1HB GLN 79 1HB GLN 79 -11.258 19.417 10.913 649 2HB GLN 79 2HB GLN 79 -12.548 18.675 9.977 650 1HG GLN 79 1HG GLN 79 -11.698 16.470 10.501 651 2HG GLN 79 2HG GLN 79 -10.339 17.180 11.371 652 1HE2 GLN 79 1HE2 GLN 79 -12.117 16.944 14.317 653 2HE2 GLN 79 2HE2 GLN 79 -10.671 16.641 13.422 Start of MODEL 22 1 1H MET 1 1H MET 1 -18.169 3.990 -2.552 2 2H MET 1 2H MET 1 -19.599 3.548 -1.712 3 3H MET 1 3H MET 1 -19.228 5.205 -1.971 4 HA MET 1 HA MET 1 -18.685 4.826 0.208 5 1HB MET 1 1HB MET 1 -17.832 2.201 -0.897 6 2HB MET 1 2HB MET 1 -16.954 2.797 0.505 7 1HG MET 1 1HG MET 1 -19.900 2.895 0.653 8 2HG MET 1 2HG MET 1 -19.156 1.298 0.673 9 1HE MET 1 1HE MET 1 -19.217 4.848 2.481 10 2HE MET 1 2HE MET 1 -17.959 4.578 3.687 11 3HE MET 1 3HE MET 1 -17.550 4.582 1.971 12 H ASP 2 H ASP 2 -17.171 6.225 0.832 13 HA ASP 2 HA ASP 2 -15.182 7.209 -0.855 14 1HB ASP 2 1HB ASP 2 -15.394 7.345 2.160 15 2HB ASP 2 2HB ASP 2 -14.262 8.293 1.200 16 H ARG 3 H ARG 3 -13.104 6.687 -1.238 17 HA ARG 3 HA ARG 3 -12.104 4.234 -0.002 18 1HB ARG 3 1HB ARG 3 -10.387 4.316 -1.823 19 2HB ARG 3 2HB ARG 3 -12.046 4.190 -2.393 20 1HG ARG 3 1HG ARG 3 -11.588 6.915 -2.312 21 2HG ARG 3 2HG ARG 3 -10.061 6.243 -2.881 22 1HD ARG 3 1HD ARG 3 -11.213 6.525 -4.856 23 2HD ARG 3 2HD ARG 3 -11.574 4.845 -4.469 24 HE ARG 3 HE ARG 3 -13.706 5.779 -3.482 25 1HH1 ARG 3 1HH1 ARG 3 -13.491 8.066 -6.767 26 2HH1 ARG 3 2HH1 ARG 3 -12.053 7.333 -6.148 27 1HH2 ARG 3 1HH2 ARG 3 -15.495 7.733 -5.728 28 2HH2 ARG 3 2HH2 ARG 3 -15.591 6.743 -4.310 29 H VAL 4 H VAL 4 -11.447 5.025 1.999 30 HA VAL 4 HA VAL 4 -8.928 6.524 1.917 31 HB VAL 4 HB VAL 4 -9.562 7.800 3.921 32 1HG1 VAL 4 1HG1 VAL 4 -11.181 8.111 1.418 33 2HG1 VAL 4 2HG1 VAL 4 -11.338 9.249 2.757 34 3HG1 VAL 4 3HG1 VAL 4 -9.781 9.037 1.957 35 1HG2 VAL 4 1HG2 VAL 4 -11.244 6.957 5.133 36 2HG2 VAL 4 2HG2 VAL 4 -12.303 7.798 4.000 37 3HG2 VAL 4 3HG2 VAL 4 -11.923 6.093 3.754 38 H LEU 5 H LEU 5 -7.394 5.528 3.000 39 HA LEU 5 HA LEU 5 -8.045 3.251 4.686 40 1HB LEU 5 1HB LEU 5 -5.835 2.580 4.406 41 2HB LEU 5 2HB LEU 5 -6.289 3.238 2.871 42 HG LEU 5 HG LEU 5 -4.799 4.909 4.863 43 1HD1 LEU 5 1HD1 LEU 5 -2.741 4.241 3.591 44 2HD1 LEU 5 2HD1 LEU 5 -3.401 2.998 4.644 45 3HD1 LEU 5 3HD1 LEU 5 -3.676 2.913 2.908 46 1HD2 LEU 5 1HD2 LEU 5 -4.040 5.420 2.245 47 2HD2 LEU 5 2HD2 LEU 5 -5.779 5.156 2.177 48 3HD2 LEU 5 3HD2 LEU 5 -5.119 6.388 3.249 49 H SER 6 H SER 6 -7.327 2.956 6.792 50 HA SER 6 HA SER 6 -7.151 5.430 8.318 51 1HB SER 6 1HB SER 6 -7.737 4.142 10.226 52 2HB SER 6 2HB SER 6 -8.712 3.498 8.905 53 HG SER 6 HG SER 6 -7.198 2.117 10.455 54 H ARG 7 H ARG 7 -5.800 4.794 10.542 55 HA ARG 7 HA ARG 7 -3.113 5.154 9.832 56 1HB ARG 7 1HB ARG 7 -4.032 4.047 12.483 57 2HB ARG 7 2HB ARG 7 -2.613 5.031 12.157 58 1HG ARG 7 1HG ARG 7 -5.491 5.906 12.121 59 2HG ARG 7 2HG ARG 7 -4.229 6.391 13.255 60 1HD ARG 7 1HD ARG 7 -3.094 7.642 11.600 61 2HD ARG 7 2HD ARG 7 -4.044 6.927 10.303 62 HE ARG 7 HE ARG 7 -5.885 8.268 10.946 63 1HH1 ARG 7 1HH1 ARG 7 -3.552 10.532 13.287 64 2HH1 ARG 7 2HH1 ARG 7 -2.985 8.982 12.769 65 1HH2 ARG 7 1HH2 ARG 7 -5.610 11.281 12.648 66 2HH2 ARG 7 2HH2 ARG 7 -6.620 10.302 11.637 67 H ALA 8 H ALA 8 -4.960 2.286 10.656 68 HA ALA 8 HA ALA 8 -2.820 0.487 10.942 69 1HB ALA 8 1HB ALA 8 -4.798 -0.364 11.747 70 2HB ALA 8 2HB ALA 8 -5.732 0.204 10.364 71 3HB ALA 8 3HB ALA 8 -4.679 -1.200 10.199 72 H ASP 9 H ASP 9 -4.727 1.443 8.097 73 HA ASP 9 HA ASP 9 -3.587 -0.399 6.311 74 1HB ASP 9 1HB ASP 9 -4.934 2.260 5.939 75 2HB ASP 9 2HB ASP 9 -4.351 1.336 4.577 76 H LYS 10 H LYS 10 -2.855 3.092 6.663 77 HA LYS 10 HA LYS 10 -0.627 3.068 4.964 78 1HB LYS 10 1HB LYS 10 0.056 5.168 6.212 79 2HB LYS 10 2HB LYS 10 -1.535 5.182 5.475 80 1HG LYS 10 1HG LYS 10 -2.011 6.103 7.497 81 2HG LYS 10 2HG LYS 10 -2.304 4.405 7.852 82 1HD LYS 10 1HD LYS 10 -0.947 4.821 9.614 83 2HD LYS 10 2HD LYS 10 0.329 4.565 8.421 84 1HE LYS 10 1HE LYS 10 0.428 6.971 8.007 85 2HE LYS 10 2HE LYS 10 -0.860 7.232 9.181 86 1HZ LYS 10 1HZ LYS 10 1.940 6.855 9.611 87 2HZ LYS 10 2HZ LYS 10 0.763 7.464 10.662 88 3HZ LYS 10 3HZ LYS 10 1.012 5.795 10.550 89 H GLU 11 H GLU 11 -0.918 2.466 8.414 90 HA GLU 11 HA GLU 11 1.853 2.351 8.975 91 1HB GLU 11 1HB GLU 11 0.114 2.574 10.722 92 2HB GLU 11 2HB GLU 11 -0.412 0.930 10.389 93 1HG GLU 11 1HG GLU 11 0.934 0.761 12.287 94 2HG GLU 11 2HG GLU 11 1.957 0.217 10.958 95 H ARG 12 H ARG 12 -0.385 0.107 7.566 96 HA ARG 12 HA ARG 12 1.384 -2.170 7.862 97 1HB ARG 12 1HB ARG 12 -1.041 -2.507 7.959 98 2HB ARG 12 2HB ARG 12 -1.209 -1.852 6.337 99 1HG ARG 12 1HG ARG 12 -1.334 -4.295 6.371 100 2HG ARG 12 2HG ARG 12 0.032 -3.714 5.419 101 1HD ARG 12 1HD ARG 12 0.721 -5.591 6.777 102 2HD ARG 12 2HD ARG 12 1.515 -4.122 7.342 103 HE ARG 12 HE ARG 12 -0.872 -4.568 8.791 104 1HH1 ARG 12 1HH1 ARG 12 2.481 -6.326 10.099 105 2HH1 ARG 12 2HH1 ARG 12 2.391 -5.761 8.465 106 1HH2 ARG 12 1HH2 ARG 12 0.696 -6.072 11.506 107 2HH2 ARG 12 2HH2 ARG 12 -0.755 -5.311 10.943 108 H LEU 13 H LEU 13 0.568 0.250 5.495 109 HA LEU 13 HA LEU 13 1.722 -1.047 3.241 110 1HB LEU 13 1HB LEU 13 0.091 0.680 2.906 111 2HB LEU 13 2HB LEU 13 1.032 1.825 3.837 112 HG LEU 13 HG LEU 13 2.798 1.254 1.866 113 1HD1 LEU 13 1HD1 LEU 13 0.048 1.018 0.657 114 2HD1 LEU 13 2HD1 LEU 13 1.530 1.292 -0.259 115 3HD1 LEU 13 3HD1 LEU 13 1.320 -0.204 0.650 116 1HD2 LEU 13 1HD2 LEU 13 0.659 3.285 1.382 117 2HD2 LEU 13 2HD2 LEU 13 1.748 3.444 2.762 118 3HD2 LEU 13 3HD2 LEU 13 2.401 3.409 1.122 119 H LEU 14 H LEU 14 2.888 1.109 5.743 120 HA LEU 14 HA LEU 14 5.398 1.678 4.539 121 1HB LEU 14 1HB LEU 14 4.214 2.010 7.259 122 2HB LEU 14 2HB LEU 14 5.951 2.162 7.078 123 HG LEU 14 HG LEU 14 3.835 3.853 5.751 124 1HD1 LEU 14 1HD1 LEU 14 4.097 4.678 7.896 125 2HD1 LEU 14 2HD1 LEU 14 5.814 4.277 7.952 126 3HD1 LEU 14 3HD1 LEU 14 5.256 5.635 6.974 127 1HD2 LEU 14 1HD2 LEU 14 6.410 4.918 5.324 128 2HD2 LEU 14 2HD2 LEU 14 6.472 3.223 4.842 129 3HD2 LEU 14 3HD2 LEU 14 5.275 4.300 4.124 130 H GLU 15 H GLU 15 4.253 -0.769 6.801 131 HA GLU 15 HA GLU 15 6.713 -1.852 7.558 132 1HB GLU 15 1HB GLU 15 3.941 -2.551 7.798 133 2HB GLU 15 2HB GLU 15 4.854 -3.982 7.346 134 1HG GLU 15 1HG GLU 15 5.754 -4.173 9.367 135 2HG GLU 15 2HG GLU 15 6.160 -2.460 9.440 136 H LEU 16 H LEU 16 4.655 -2.518 4.772 137 HA LEU 16 HA LEU 16 6.378 -4.591 3.762 138 1HB LEU 16 1HB LEU 16 3.879 -3.246 2.856 139 2HB LEU 16 2HB LEU 16 4.846 -4.086 1.658 140 HG LEU 16 HG LEU 16 4.413 -5.733 4.008 141 1HD1 LEU 16 1HD1 LEU 16 1.901 -5.303 2.481 142 2HD1 LEU 16 2HD1 LEU 16 2.139 -5.890 4.126 143 3HD1 LEU 16 3HD1 LEU 16 2.302 -4.171 3.773 144 1HD2 LEU 16 1HD2 LEU 16 3.841 -7.376 2.381 145 2HD2 LEU 16 2HD2 LEU 16 3.548 -6.144 1.152 146 3HD2 LEU 16 3HD2 LEU 16 5.187 -6.439 1.733 147 H LEU 17 H LEU 17 6.251 -1.172 3.558 148 HA LEU 17 HA LEU 17 7.778 -1.061 1.091 149 1HB LEU 17 1HB LEU 17 6.343 0.883 2.790 150 2HB LEU 17 2HB LEU 17 7.743 1.492 1.931 151 HG LEU 17 HG LEU 17 5.420 1.735 0.846 152 1HD1 LEU 17 1HD1 LEU 17 7.847 0.662 -0.561 153 2HD1 LEU 17 2HD1 LEU 17 6.428 1.264 -1.419 154 3HD1 LEU 17 3HD1 LEU 17 7.347 2.340 -0.367 155 1HD2 LEU 17 1HD2 LEU 17 5.944 -1.197 0.457 156 2HD2 LEU 17 2HD2 LEU 17 4.472 -0.398 1.002 157 3HD2 LEU 17 3HD2 LEU 17 4.972 -0.269 -0.684 158 H LYS 18 H LYS 18 8.525 -1.523 4.311 159 HA LYS 18 HA LYS 18 10.435 -1.267 5.547 160 1HB LYS 18 1HB LYS 18 11.221 -1.935 2.824 161 2HB LYS 18 2HB LYS 18 12.461 -1.020 3.666 162 1HG LYS 18 1HG LYS 18 13.074 -2.805 4.836 163 2HG LYS 18 2HG LYS 18 11.417 -3.083 5.375 164 1HD LYS 18 1HD LYS 18 11.308 -3.922 2.779 165 2HD LYS 18 2HD LYS 18 12.952 -4.375 3.233 166 1HE LYS 18 1HE LYS 18 10.367 -5.216 4.525 167 2HE LYS 18 2HE LYS 18 11.567 -6.235 3.732 168 1HZ LYS 18 1HZ LYS 18 11.991 -6.554 5.965 169 2HZ LYS 18 2HZ LYS 18 13.124 -5.365 5.560 170 3HZ LYS 18 3HZ LYS 18 11.704 -4.937 6.374 171 H LEU 19 H LEU 19 9.007 1.094 4.376 172 HA LEU 19 HA LEU 19 11.116 3.122 4.458 173 1HB LEU 19 1HB LEU 19 9.706 2.979 2.425 174 2HB LEU 19 2HB LEU 19 8.286 3.253 3.409 175 HG LEU 19 HG LEU 19 10.286 5.350 3.731 176 1HD1 LEU 19 1HD1 LEU 19 8.962 5.677 1.146 177 2HD1 LEU 19 2HD1 LEU 19 10.621 6.035 1.625 178 3HD1 LEU 19 3HD1 LEU 19 10.171 4.394 1.162 179 1HD2 LEU 19 1HD2 LEU 19 7.363 5.032 3.362 180 2HD2 LEU 19 2HD2 LEU 19 8.260 5.978 4.549 181 3HD2 LEU 19 3HD2 LEU 19 8.072 6.578 2.901 182 HA PRO 20 HA PRO 20 9.644 3.717 8.699 183 1HB PRO 20 1HB PRO 20 11.149 6.251 8.209 184 2HB PRO 20 2HB PRO 20 11.202 5.161 9.601 185 1HG PRO 20 1HG PRO 20 13.147 5.139 7.785 186 2HG PRO 20 2HG PRO 20 12.567 3.631 8.517 187 1HD PRO 20 1HD PRO 20 12.091 4.726 5.794 188 2HD PRO 20 2HD PRO 20 12.215 3.039 6.329 189 H ARG 21 H ARG 21 8.518 5.461 9.873 190 HA ARG 21 HA ARG 21 6.524 6.700 8.161 191 1HB ARG 21 1HB ARG 21 6.635 6.738 11.176 192 2HB ARG 21 2HB ARG 21 5.240 7.052 10.154 193 1HG ARG 21 1HG ARG 21 4.811 4.857 9.829 194 2HG ARG 21 2HG ARG 21 6.516 4.402 9.869 195 1HD ARG 21 1HD ARG 21 6.021 5.301 12.434 196 2HD ARG 21 2HD ARG 21 4.543 4.440 12.005 197 HE ARG 21 HE ARG 21 6.775 2.880 11.300 198 1HH1 ARG 21 1HH1 ARG 21 5.507 2.642 15.092 199 2HH1 ARG 21 2HH1 ARG 21 5.057 4.004 14.121 200 1HH2 ARG 21 1HH2 ARG 21 6.821 0.987 14.213 201 2HH2 ARG 21 2HH2 ARG 21 7.368 1.088 12.574 202 H GLN 22 H GLN 22 9.418 7.543 9.646 203 HA GLN 22 HA GLN 22 8.923 10.211 10.413 204 1HB GLN 22 1HB GLN 22 10.873 8.878 11.141 205 2HB GLN 22 2HB GLN 22 11.507 8.938 9.503 206 1HG GLN 22 1HG GLN 22 12.615 10.751 10.124 207 2HG GLN 22 2HG GLN 22 11.064 11.589 10.125 208 1HE2 GLN 22 1HE2 GLN 22 11.214 12.271 13.493 209 2HE2 GLN 22 2HE2 GLN 22 10.646 12.658 11.908 210 H LEU 23 H LEU 23 9.863 8.719 7.389 211 HA LEU 23 HA LEU 23 9.953 11.349 6.111 212 1HB LEU 23 1HB LEU 23 11.154 10.374 4.316 213 2HB LEU 23 2HB LEU 23 11.879 9.804 5.800 214 HG LEU 23 HG LEU 23 11.835 8.032 4.160 215 1HD1 LEU 23 1HD1 LEU 23 11.429 7.470 6.570 216 2HD1 LEU 23 2HD1 LEU 23 9.713 7.380 6.180 217 3HD1 LEU 23 3HD1 LEU 23 10.847 6.271 5.408 218 1HD2 LEU 23 1HD2 LEU 23 10.011 7.325 2.985 219 2HD2 LEU 23 2HD2 LEU 23 8.866 7.964 4.162 220 3HD2 LEU 23 3HD2 LEU 23 9.719 9.058 3.070 221 H TRP 24 H TRP 24 7.619 9.345 6.859 222 HA TRP 24 HA TRP 24 6.241 8.541 4.616 223 1HB TRP 24 1HB TRP 24 5.481 7.947 6.815 224 2HB TRP 24 2HB TRP 24 5.228 9.632 7.246 225 HD1 TRP 24 HD1 TRP 24 2.922 10.708 6.634 226 HE1 TRP 24 HE1 TRP 24 0.727 9.771 5.669 227 HE3 TRP 24 HE3 TRP 24 4.605 6.149 5.059 228 HZ2 TRP 24 HZ2 TRP 24 -0.174 7.407 4.413 229 HZ3 TRP 24 HZ3 TRP 24 3.015 4.606 3.984 230 HH2 TRP 24 HH2 TRP 24 0.675 5.227 3.667 231 H GLY 25 H GLY 25 6.182 9.853 2.845 232 1HA GLY 25 1HA GLY 25 4.246 11.636 2.337 233 2HA GLY 25 2HA GLY 25 5.449 12.652 3.116 234 H ASP 26 H ASP 26 7.611 10.908 1.904 235 HA ASP 26 HA ASP 26 7.907 12.455 -0.502 236 1HB ASP 26 1HB ASP 26 9.770 11.794 1.123 237 2HB ASP 26 2HB ASP 26 9.698 10.198 0.381 238 H PHE 27 H PHE 27 6.179 11.707 -1.801 239 HA PHE 27 HA PHE 27 5.437 9.175 -2.463 240 1HB PHE 27 1HB PHE 27 4.354 11.226 -3.321 241 2HB PHE 27 2HB PHE 27 5.707 11.460 -4.423 242 HD1 PHE 27 HD1 PHE 27 3.866 8.355 -3.528 243 HD2 PHE 27 HD2 PHE 27 4.835 11.189 -6.551 244 HE1 PHE 27 HE1 PHE 27 2.733 6.953 -5.202 245 HE2 PHE 27 HE2 PHE 27 3.705 9.791 -8.230 246 HZ PHE 27 HZ PHE 27 2.652 7.668 -7.557 247 H GLY 28 H GLY 28 8.204 10.940 -3.773 248 1HA GLY 28 1HA GLY 28 8.895 9.093 -5.779 249 2HA GLY 28 2HA GLY 28 9.987 10.254 -5.042 250 H ARG 29 H ARG 29 9.812 9.241 -2.367 251 HA ARG 29 HA ARG 29 11.745 7.146 -2.589 252 1HB ARG 29 1HB ARG 29 10.885 8.992 -0.588 253 2HB ARG 29 2HB ARG 29 10.854 7.373 0.098 254 1HG ARG 29 1HG ARG 29 13.263 7.658 -1.374 255 2HG ARG 29 2HG ARG 29 13.077 9.074 -0.338 256 1HD ARG 29 1HD ARG 29 12.962 7.756 1.613 257 2HD ARG 29 2HD ARG 29 12.708 6.275 0.691 258 HE ARG 29 HE ARG 29 15.208 7.496 0.074 259 1HH1 ARG 29 1HH1 ARG 29 15.032 4.742 2.977 260 2HH1 ARG 29 2HH1 ARG 29 13.578 5.510 2.435 261 1HH2 ARG 29 1HH2 ARG 29 17.044 5.298 2.041 262 2HH2 ARG 29 2HH2 ARG 29 17.122 6.487 0.785 263 H MET 30 H MET 30 8.454 7.298 -1.227 264 HA MET 30 HA MET 30 8.290 4.634 -0.431 265 1HB MET 30 1HB MET 30 5.776 4.964 -0.717 266 2HB MET 30 2HB MET 30 6.609 6.048 0.386 267 1HG MET 30 1HG MET 30 6.650 7.768 -1.361 268 2HG MET 30 2HG MET 30 5.775 6.682 -2.433 269 1HE MET 30 1HE MET 30 4.319 8.732 1.346 270 2HE MET 30 2HE MET 30 4.669 7.021 1.588 271 3HE MET 30 3HE MET 30 5.930 8.104 0.999 272 H GLN 31 H GLN 31 7.302 6.095 -3.540 273 HA GLN 31 HA GLN 31 6.321 3.752 -4.709 274 1HB GLN 31 1HB GLN 31 6.165 6.145 -5.605 275 2HB GLN 31 2HB GLN 31 7.780 5.891 -6.255 276 1HG GLN 31 1HG GLN 31 6.828 3.843 -7.414 277 2HG GLN 31 2HG GLN 31 5.240 4.471 -6.982 278 1HE2 GLN 31 1HE2 GLN 31 7.462 6.228 -9.906 279 2HE2 GLN 31 2HE2 GLN 31 8.164 5.103 -8.800 280 H GLN 32 H GLN 32 9.586 5.026 -4.449 281 HA GLN 32 HA GLN 32 10.867 3.214 -6.178 282 1HB GLN 32 1HB GLN 32 11.654 5.354 -4.628 283 2HB GLN 32 2HB GLN 32 12.427 3.997 -3.820 284 1HG GLN 32 1HG GLN 32 14.057 4.169 -5.305 285 2HG GLN 32 2HG GLN 32 12.923 3.561 -6.511 286 1HE2 GLN 32 1HE2 GLN 32 13.313 6.431 -8.375 287 2HE2 GLN 32 2HE2 GLN 32 13.235 4.708 -8.285 288 H ALA 33 H ALA 33 10.098 3.085 -2.735 289 HA ALA 33 HA ALA 33 11.364 0.570 -2.273 290 1HB ALA 33 1HB ALA 33 11.093 2.014 -0.405 291 2HB ALA 33 2HB ALA 33 9.359 2.162 -0.686 292 3HB ALA 33 3HB ALA 33 10.036 0.630 -0.135 293 H TYR 34 H TYR 34 8.079 1.623 -3.026 294 HA TYR 34 HA TYR 34 6.696 -0.743 -2.602 295 1HB TYR 34 1HB TYR 34 5.570 1.367 -3.154 296 2HB TYR 34 2HB TYR 34 6.239 1.309 -4.782 297 HD1 TYR 34 HD1 TYR 34 3.464 0.438 -2.735 298 HD2 TYR 34 HD2 TYR 34 5.626 -0.766 -6.204 299 HE1 TYR 34 HE1 TYR 34 1.531 -0.886 -3.488 300 HE2 TYR 34 HE2 TYR 34 3.690 -2.073 -6.966 301 HH TYR 34 HH TYR 34 1.553 -2.608 -6.589 302 H LYS 35 H LYS 35 8.614 0.285 -5.373 303 HA LYS 35 HA LYS 35 7.979 -1.986 -6.985 304 1HB LYS 35 1HB LYS 35 9.663 0.401 -7.192 305 2HB LYS 35 2HB LYS 35 10.368 -1.016 -7.962 306 1HG LYS 35 1HG LYS 35 7.707 -1.017 -8.775 307 2HG LYS 35 2HG LYS 35 8.204 0.674 -8.841 308 1HD LYS 35 1HD LYS 35 9.031 0.140 -10.858 309 2HD LYS 35 2HD LYS 35 10.358 -0.583 -9.945 310 1HE LYS 35 1HE LYS 35 9.573 -2.727 -10.243 311 2HE LYS 35 2HE LYS 35 7.909 -2.198 -10.479 312 1HZ LYS 35 1HZ LYS 35 8.966 -1.099 -12.598 313 2HZ LYS 35 2HZ LYS 35 10.109 -2.331 -12.405 314 3HZ LYS 35 3HZ LYS 35 8.475 -2.719 -12.605 315 H GLN 36 H GLN 36 10.528 -1.154 -4.720 316 HA GLN 36 HA GLN 36 12.327 -3.222 -5.291 317 1HB GLN 36 1HB GLN 36 11.755 -1.830 -2.668 318 2HB GLN 36 2HB GLN 36 13.145 -2.865 -2.966 319 1HG GLN 36 1HG GLN 36 13.220 -1.028 -5.033 320 2HG GLN 36 2HG GLN 36 12.722 -0.082 -3.632 321 1HE2 GLN 36 1HE2 GLN 36 15.843 -0.062 -2.149 322 2HE2 GLN 36 2HE2 GLN 36 14.193 0.450 -2.136 323 H GLN 37 H GLN 37 9.607 -3.090 -3.018 324 HA GLN 37 HA GLN 37 9.993 -5.845 -2.225 325 1HB GLN 37 1HB GLN 37 8.104 -3.656 -1.466 326 2HB GLN 37 2HB GLN 37 7.705 -5.318 -1.059 327 1HG GLN 37 1HG GLN 37 8.783 -4.562 0.838 328 2HG GLN 37 2HG GLN 37 10.056 -5.407 -0.029 329 1HE2 GLN 37 1HE2 GLN 37 12.127 -2.673 0.199 330 2HE2 GLN 37 2HE2 GLN 37 11.884 -4.378 0.311 331 H SER 38 H SER 38 8.234 -4.126 -4.615 332 HA SER 38 HA SER 38 6.146 -6.034 -5.002 333 1HB SER 38 1HB SER 38 7.133 -3.607 -6.389 334 2HB SER 38 2HB SER 38 6.270 -4.773 -7.388 335 HG SER 38 HG SER 38 4.573 -3.812 -6.599 336 H LEU 39 H LEU 39 9.431 -5.715 -6.052 337 HA LEU 39 HA LEU 39 9.276 -7.483 -8.278 338 1HB LEU 39 1HB LEU 39 11.352 -6.011 -6.826 339 2HB LEU 39 2HB LEU 39 11.901 -7.543 -7.481 340 HG LEU 39 HG LEU 39 10.453 -5.554 -9.202 341 1HD1 LEU 39 1HD1 LEU 39 12.888 -5.003 -9.939 342 2HD1 LEU 39 2HD1 LEU 39 12.184 -4.186 -8.544 343 3HD1 LEU 39 3HD1 LEU 39 13.300 -5.531 -8.307 344 1HD2 LEU 39 1HD2 LEU 39 11.436 -8.155 -9.585 345 2HD2 LEU 39 2HD2 LEU 39 10.813 -7.045 -10.806 346 3HD2 LEU 39 3HD2 LEU 39 12.540 -7.082 -10.445 347 H LEU 40 H LEU 40 9.841 -7.904 -4.844 348 HA LEU 40 HA LEU 40 10.623 -10.676 -5.216 349 1HB LEU 40 1HB LEU 40 10.974 -10.748 -2.835 350 2HB LEU 40 2HB LEU 40 11.742 -9.322 -3.502 351 HG LEU 40 HG LEU 40 9.418 -8.223 -2.775 352 1HD1 LEU 40 1HD1 LEU 40 8.930 -10.673 -1.849 353 2HD1 LEU 40 2HD1 LEU 40 9.771 -10.010 -0.448 354 3HD1 LEU 40 3HD1 LEU 40 8.321 -9.219 -1.062 355 1HD2 LEU 40 1HD2 LEU 40 11.683 -8.763 -0.863 356 2HD2 LEU 40 2HD2 LEU 40 11.695 -7.526 -2.122 357 3HD2 LEU 40 3HD2 LEU 40 10.540 -7.422 -0.793 358 H LEU 41 H LEU 41 7.756 -8.898 -4.772 359 HA LEU 41 HA LEU 41 6.306 -11.189 -3.678 360 1HB LEU 41 1HB LEU 41 5.441 -8.355 -4.257 361 2HB LEU 41 2HB LEU 41 4.365 -9.602 -3.657 362 HG LEU 41 HG LEU 41 6.807 -8.579 -2.204 363 1HD1 LEU 41 1HD1 LEU 41 5.092 -6.875 -2.291 364 2HD1 LEU 41 2HD1 LEU 41 3.876 -8.036 -1.760 365 3HD1 LEU 41 3HD1 LEU 41 5.176 -7.560 -0.668 366 1HD2 LEU 41 1HD2 LEU 41 4.856 -10.757 -1.686 367 2HD2 LEU 41 2HD2 LEU 41 6.580 -10.669 -1.324 368 3HD2 LEU 41 3HD2 LEU 41 5.422 -9.804 -0.315 369 H HIS 42 H HIS 42 7.353 -10.301 -6.611 370 HA HIS 42 HA HIS 42 4.977 -10.710 -8.184 371 1HB HIS 42 1HB HIS 42 7.034 -9.255 -8.764 372 2HB HIS 42 2HB HIS 42 7.811 -10.770 -9.207 373 HD1 HIS 42 HD1 HIS 42 7.796 -10.970 -11.654 374 HD2 HIS 42 HD2 HIS 42 4.258 -9.313 -10.242 375 HE1 HIS 42 HE1 HIS 42 6.366 -10.603 -13.690 376 HE2 HIS 42 HE2 HIS 42 4.213 -9.639 -12.807 377 HA PRO 43 HA PRO 43 5.082 -15.147 -8.145 378 1HB PRO 43 1HB PRO 43 3.933 -15.530 -10.645 379 2HB PRO 43 2HB PRO 43 3.049 -15.296 -9.135 380 1HG PRO 43 1HG PRO 43 3.711 -13.321 -11.273 381 2HG PRO 43 2HG PRO 43 2.231 -13.481 -10.309 382 1HD PRO 43 1HD PRO 43 4.044 -11.582 -9.784 383 2HD PRO 43 2HD PRO 43 3.163 -12.395 -8.479 384 H ASP 44 H ASP 44 6.644 -13.230 -10.571 385 HA ASP 44 HA ASP 44 7.876 -15.504 -11.870 386 1HB ASP 44 1HB ASP 44 7.519 -12.722 -12.475 387 2HB ASP 44 2HB ASP 44 9.227 -13.128 -12.600 388 H LYS 45 H LYS 45 8.549 -13.462 -9.195 389 HA LYS 45 HA LYS 45 11.341 -14.398 -9.144 390 1HB LYS 45 1HB LYS 45 10.157 -12.088 -7.598 391 2HB LYS 45 2HB LYS 45 11.858 -12.519 -7.718 392 1HG LYS 45 1HG LYS 45 10.168 -11.655 -10.054 393 2HG LYS 45 2HG LYS 45 11.195 -10.574 -9.110 394 1HD LYS 45 1HD LYS 45 13.160 -11.641 -9.822 395 2HD LYS 45 2HD LYS 45 12.283 -13.058 -10.398 396 1HE LYS 45 1HE LYS 45 11.250 -11.670 -12.155 397 2HE LYS 45 2HE LYS 45 12.199 -10.292 -11.599 398 1HZ LYS 45 1HZ LYS 45 14.008 -11.031 -12.647 399 2HZ LYS 45 2HZ LYS 45 13.780 -12.632 -12.149 400 3HZ LYS 45 3HZ LYS 45 12.962 -12.046 -13.508 401 H GLY 46 H GLY 46 9.011 -15.948 -8.330 402 1HA GLY 46 1HA GLY 46 8.374 -17.341 -6.624 403 2HA GLY 46 2HA GLY 46 9.985 -17.081 -5.971 404 H GLY 47 H GLY 47 7.191 -14.911 -6.405 405 1HA GLY 47 1HA GLY 47 7.419 -14.257 -3.534 406 2HA GLY 47 2HA GLY 47 6.866 -13.133 -4.766 407 H SER 48 H SER 48 5.201 -13.138 -2.836 408 HA SER 48 HA SER 48 3.219 -15.251 -3.117 409 1HB SER 48 1HB SER 48 3.902 -13.272 -1.091 410 2HB SER 48 2HB SER 48 2.167 -13.325 -1.402 411 HG SER 48 HG SER 48 3.755 -15.127 -0.131 412 H HIS 49 H HIS 49 1.212 -15.012 -3.994 413 HA HIS 49 HA HIS 49 0.860 -12.798 -5.813 414 1HB HIS 49 1HB HIS 49 0.002 -15.489 -5.702 415 2HB HIS 49 2HB HIS 49 -1.454 -14.500 -5.660 416 HD1 HIS 49 HD1 HIS 49 -0.272 -12.219 -7.540 417 HD2 HIS 49 HD2 HIS 49 -0.298 -16.298 -8.330 418 HE1 HIS 49 HE1 HIS 49 -0.122 -12.420 -10.042 419 HE2 HIS 49 HE2 HIS 49 -0.205 -14.898 -10.501 420 H ALA 50 H ALA 50 -0.753 -14.064 -2.926 421 HA ALA 50 HA ALA 50 -2.888 -12.226 -2.899 422 1HB ALA 50 1HB ALA 50 -3.496 -13.171 -0.914 423 2HB ALA 50 2HB ALA 50 -2.439 -14.440 -1.534 424 3HB ALA 50 3HB ALA 50 -1.834 -13.297 -0.336 425 H LEU 51 H LEU 51 0.406 -12.031 -1.727 426 HA LEU 51 HA LEU 51 0.026 -9.736 -0.089 427 1HB LEU 51 1HB LEU 51 2.314 -11.302 -1.097 428 2HB LEU 51 2HB LEU 51 2.658 -9.619 -0.745 429 HG LEU 51 HG LEU 51 1.497 -11.600 1.218 430 1HD1 LEU 51 1HD1 LEU 51 4.084 -10.501 1.866 431 2HD1 LEU 51 2HD1 LEU 51 3.564 -12.184 1.781 432 3HD1 LEU 51 3HD1 LEU 51 4.124 -11.360 0.327 433 1HD2 LEU 51 1HD2 LEU 51 1.548 -9.933 2.831 434 2HD2 LEU 51 2HD2 LEU 51 2.641 -8.916 1.892 435 3HD2 LEU 51 3HD2 LEU 51 0.953 -9.076 1.409 436 H MET 52 H MET 52 1.321 -10.178 -3.371 437 HA MET 52 HA MET 52 1.963 -7.567 -3.975 438 1HB MET 52 1HB MET 52 1.930 -9.912 -5.363 439 2HB MET 52 2HB MET 52 0.645 -9.024 -6.170 440 1HG MET 52 1HG MET 52 3.197 -7.600 -5.694 441 2HG MET 52 2HG MET 52 3.182 -8.868 -6.919 442 1HE MET 52 1HE MET 52 2.250 -5.391 -5.865 443 2HE MET 52 2HE MET 52 3.495 -5.376 -7.113 444 3HE MET 52 3HE MET 52 1.923 -4.641 -7.426 445 H GLN 53 H GLN 53 -1.195 -9.093 -3.931 446 HA GLN 53 HA GLN 53 -2.556 -6.902 -5.176 447 1HB GLN 53 1HB GLN 53 -3.712 -9.112 -3.467 448 2HB GLN 53 2HB GLN 53 -4.598 -8.071 -4.572 449 1HG GLN 53 1HG GLN 53 -2.463 -10.031 -5.379 450 2HG GLN 53 2HG GLN 53 -4.199 -10.315 -5.483 451 1HE2 GLN 53 1HE2 GLN 53 -4.667 -8.057 -8.205 452 2HE2 GLN 53 2HE2 GLN 53 -5.404 -8.603 -6.740 453 H GLU 54 H GLU 54 -1.706 -7.797 -1.914 454 HA GLU 54 HA GLU 54 -3.481 -6.080 -0.545 455 1HB GLU 54 1HB GLU 54 -0.959 -7.519 0.144 456 2HB GLU 54 2HB GLU 54 -1.503 -6.240 1.221 457 1HG GLU 54 1HG GLU 54 -3.656 -8.036 0.510 458 2HG GLU 54 2HG GLU 54 -2.301 -8.886 1.252 459 H LEU 55 H LEU 55 -0.004 -5.679 -1.255 460 HA LEU 55 HA LEU 55 0.219 -3.052 -0.361 461 1HB LEU 55 1HB LEU 55 1.988 -4.823 -1.148 462 2HB LEU 55 2HB LEU 55 1.802 -4.030 -2.698 463 HG LEU 55 HG LEU 55 2.575 -1.932 -1.783 464 1HD1 LEU 55 1HD1 LEU 55 3.266 -3.113 0.844 465 2HD1 LEU 55 2HD1 LEU 55 2.865 -1.452 0.420 466 3HD1 LEU 55 3HD1 LEU 55 1.587 -2.651 0.585 467 1HD2 LEU 55 1HD2 LEU 55 4.133 -4.399 -1.624 468 2HD2 LEU 55 2HD2 LEU 55 4.504 -2.870 -2.422 469 3HD2 LEU 55 3HD2 LEU 55 4.806 -3.058 -0.695 470 H ASN 56 H ASN 56 -0.895 -4.341 -3.420 471 HA ASN 56 HA ASN 56 -0.803 -1.972 -4.932 472 1HB ASN 56 1HB ASN 56 -2.117 -4.604 -5.153 473 2HB ASN 56 2HB ASN 56 -2.940 -3.296 -5.997 474 1HD2 ASN 56 1HD2 ASN 56 -0.007 -5.065 -7.827 475 2HD2 ASN 56 2HD2 ASN 56 -1.044 -5.720 -6.612 476 H SER 57 H SER 57 -3.420 -3.417 -3.015 477 HA SER 57 HA SER 57 -5.304 -1.366 -3.500 478 1HB SER 57 1HB SER 57 -6.494 -2.326 -1.522 479 2HB SER 57 2HB SER 57 -6.043 -3.536 -2.722 480 HG SER 57 HG SER 57 -5.546 -4.181 -0.568 481 H LEU 58 H LEU 58 -3.040 -1.942 -0.824 482 HA LEU 58 HA LEU 58 -3.835 0.319 0.688 483 1HB LEU 58 1HB LEU 58 -1.540 -1.576 0.739 484 2HB LEU 58 2HB LEU 58 -1.370 -0.065 1.609 485 HG LEU 58 HG LEU 58 -3.556 -2.099 2.069 486 1HD1 LEU 58 1HD1 LEU 58 -2.380 -2.920 3.854 487 2HD1 LEU 58 2HD1 LEU 58 -1.060 -2.552 2.744 488 3HD1 LEU 58 3HD1 LEU 58 -1.443 -1.439 4.058 489 1HD2 LEU 58 1HD2 LEU 58 -4.523 -0.686 3.533 490 2HD2 LEU 58 2HD2 LEU 58 -2.984 -0.019 4.072 491 3HD2 LEU 58 3HD2 LEU 58 -3.718 0.556 2.576 492 H TRP 59 H TRP 59 -1.643 -0.106 -1.981 493 HA TRP 59 HA TRP 59 -0.429 2.501 -1.588 494 1HB TRP 59 1HB TRP 59 1.064 0.764 -2.281 495 2HB TRP 59 2HB TRP 59 -0.005 0.282 -3.589 496 HD1 TRP 59 HD1 TRP 59 0.509 1.233 -5.893 497 HE1 TRP 59 HE1 TRP 59 2.091 3.030 -6.826 498 HE3 TRP 59 HE3 TRP 59 2.179 3.250 -1.477 499 HZ2 TRP 59 HZ2 TRP 59 3.812 5.021 -5.841 500 HZ3 TRP 59 HZ3 TRP 59 3.803 5.090 -1.582 501 HH2 TRP 59 HH2 TRP 59 4.599 5.957 -3.718 502 H GLY 60 H GLY 60 -3.112 1.117 -3.161 503 1HA GLY 60 1HA GLY 60 -3.266 3.030 -5.319 504 2HA GLY 60 2HA GLY 60 -4.492 1.854 -4.878 505 H THR 61 H THR 61 -5.476 2.367 -2.571 506 HA THR 61 HA THR 61 -6.944 4.728 -2.762 507 HB THR 61 HB THR 61 -7.054 2.586 -1.130 508 HG1 THR 61 HG1 THR 61 -8.145 5.151 -0.653 509 1HG2 THR 61 1HG2 THR 61 -5.675 4.632 0.484 510 2HG2 THR 61 2HG2 THR 61 -6.977 3.709 1.219 511 3HG2 THR 61 3HG2 THR 61 -5.576 2.873 0.547 512 H PHE 62 H PHE 62 -4.129 3.909 -0.888 513 HA PHE 62 HA PHE 62 -3.477 6.204 0.450 514 1HB PHE 62 1HB PHE 62 -2.147 4.186 0.607 515 2HB PHE 62 2HB PHE 62 -1.699 4.305 -1.094 516 HD1 PHE 62 HD1 PHE 62 -1.730 7.130 1.282 517 HD2 PHE 62 HD2 PHE 62 0.641 4.277 -0.822 518 HE1 PHE 62 HE1 PHE 62 0.306 8.357 1.915 519 HE2 PHE 62 HE2 PHE 62 2.672 5.505 -0.186 520 HZ PHE 62 HZ PHE 62 2.507 7.537 1.178 521 H LYS 63 H LYS 63 -2.581 5.344 -2.835 522 HA LYS 63 HA LYS 63 -1.256 7.649 -3.611 523 1HB LYS 63 1HB LYS 63 -2.154 5.245 -4.766 524 2HB LYS 63 2HB LYS 63 -2.800 6.518 -5.770 525 1HG LYS 63 1HG LYS 63 -0.545 7.431 -6.057 526 2HG LYS 63 2HG LYS 63 0.093 6.134 -5.045 527 1HD LYS 63 1HD LYS 63 -1.261 5.867 -7.724 528 2HD LYS 63 2HD LYS 63 0.427 5.532 -7.341 529 1HE LYS 63 1HE LYS 63 -0.404 3.746 -5.758 530 2HE LYS 63 2HE LYS 63 -2.009 4.004 -6.433 531 1HZ LYS 63 1HZ LYS 63 -1.433 2.509 -7.954 532 2HZ LYS 63 2HZ LYS 63 -0.419 3.686 -8.624 533 3HZ LYS 63 3HZ LYS 63 0.204 2.559 -7.527 534 H THR 64 H THR 64 -4.734 6.910 -3.697 535 HA THR 64 HA THR 64 -5.645 9.064 -5.169 536 HB THR 64 HB THR 64 -6.915 7.856 -2.698 537 HG1 THR 64 HG1 THR 64 -7.194 6.241 -3.987 538 1HG2 THR 64 1HG2 THR 64 -8.865 8.905 -3.117 539 2HG2 THR 64 2HG2 THR 64 -7.776 10.138 -3.751 540 3HG2 THR 64 3HG2 THR 64 -8.568 9.010 -4.851 541 H GLU 65 H GLU 65 -4.544 8.892 -1.861 542 HA GLU 65 HA GLU 65 -5.135 11.681 -1.334 543 1HB GLU 65 1HB GLU 65 -3.434 9.928 0.419 544 2HB GLU 65 2HB GLU 65 -4.452 11.283 0.878 545 1HG GLU 65 1HG GLU 65 -5.823 8.955 -0.310 546 2HG GLU 65 2HG GLU 65 -5.117 8.731 1.289 547 H VAL 66 H VAL 66 -2.455 9.626 -2.237 548 HA VAL 66 HA VAL 66 -0.299 11.218 -1.657 549 HB VAL 66 HB VAL 66 -0.675 9.385 -4.007 550 1HG1 VAL 66 1HG1 VAL 66 1.272 10.048 -4.864 551 2HG1 VAL 66 2HG1 VAL 66 1.355 11.330 -3.656 552 3HG1 VAL 66 3HG1 VAL 66 2.072 9.759 -3.319 553 1HG2 VAL 66 1HG2 VAL 66 0.782 9.072 -1.380 554 2HG2 VAL 66 2HG2 VAL 66 -0.757 8.325 -1.808 555 3HG2 VAL 66 3HG2 VAL 66 0.713 7.867 -2.668 556 H TYR 67 H TYR 67 -2.511 11.443 -4.394 557 HA TYR 67 HA TYR 67 -1.064 13.408 -5.817 558 1HB TYR 67 1HB TYR 67 -3.465 11.999 -6.186 559 2HB TYR 67 2HB TYR 67 -3.928 13.698 -6.148 560 HD1 TYR 67 HD1 TYR 67 -1.397 11.443 -7.715 561 HD2 TYR 67 HD2 TYR 67 -3.816 14.920 -8.114 562 HE1 TYR 67 HE1 TYR 67 -0.649 11.689 -10.045 563 HE2 TYR 67 HE2 TYR 67 -3.076 15.174 -10.446 564 HH TYR 67 HH TYR 67 -0.647 14.178 -11.724 565 H ASN 68 H ASN 68 -3.166 13.507 -3.066 566 HA ASN 68 HA ASN 68 -3.413 16.404 -3.144 567 1HB ASN 68 1HB ASN 68 -4.673 14.198 -1.594 568 2HB ASN 68 2HB ASN 68 -4.560 15.772 -0.811 569 1HD2 ASN 68 1HD2 ASN 68 -7.491 15.073 -3.344 570 2HD2 ASN 68 2HD2 ASN 68 -6.515 13.875 -2.573 571 H LEU 69 H LEU 69 -1.547 13.929 -1.552 572 HA LEU 69 HA LEU 69 -0.677 15.546 0.623 573 1HB LEU 69 1HB LEU 69 0.580 13.757 1.317 574 2HB LEU 69 2HB LEU 69 -0.661 12.960 0.381 575 HG LEU 69 HG LEU 69 1.001 12.897 -1.540 576 1HD1 LEU 69 1HD1 LEU 69 3.415 12.857 -0.362 577 2HD1 LEU 69 2HD1 LEU 69 2.767 14.262 -1.205 578 3HD1 LEU 69 3HD1 LEU 69 2.652 14.157 0.552 579 1HD2 LEU 69 1HD2 LEU 69 1.668 10.825 -0.892 580 2HD2 LEU 69 2HD2 LEU 69 2.168 11.367 0.710 581 3HD2 LEU 69 3HD2 LEU 69 0.458 11.114 0.359 582 H ARG 70 H ARG 70 0.081 15.639 -2.656 583 HA ARG 70 HA ARG 70 2.813 16.414 -2.378 584 1HB ARG 70 1HB ARG 70 1.453 15.462 -4.470 585 2HB ARG 70 2HB ARG 70 1.327 17.179 -4.822 586 1HG ARG 70 1HG ARG 70 3.228 16.252 -5.971 587 2HG ARG 70 2HG ARG 70 3.782 17.356 -4.711 588 1HD ARG 70 1HD ARG 70 3.503 14.481 -4.017 589 2HD ARG 70 2HD ARG 70 4.848 14.945 -5.056 590 HE ARG 70 HE ARG 70 4.486 15.612 -2.256 591 1HH1 ARG 70 1HH1 ARG 70 7.616 16.925 -4.380 592 2HH1 ARG 70 2HH1 ARG 70 6.273 16.200 -5.199 593 1HH2 ARG 70 1HH2 ARG 70 7.599 17.138 -2.105 594 2HH2 ARG 70 2HH2 ARG 70 6.245 16.571 -1.186 595 H MET 71 H MET 71 0.183 17.941 -1.429 596 HA MET 71 HA MET 71 1.363 20.597 -1.880 597 1HB MET 71 1HB MET 71 -1.501 19.724 -2.034 598 2HB MET 71 2HB MET 71 -1.115 21.372 -1.560 599 1HG MET 71 1HG MET 71 -0.355 21.941 -3.629 600 2HG MET 71 2HG MET 71 0.147 20.297 -4.019 601 1HE MET 71 1HE MET 71 -2.592 21.719 -6.578 602 2HE MET 71 2HE MET 71 -1.003 22.148 -5.943 603 3HE MET 71 3HE MET 71 -1.256 20.574 -6.697 604 H ASN 72 H ASN 72 -1.072 18.983 0.165 605 HA ASN 72 HA ASN 72 -0.579 20.685 2.397 606 1HB ASN 72 1HB ASN 72 -1.952 17.991 2.379 607 2HB ASN 72 2HB ASN 72 -2.110 19.246 3.603 608 1HD2 ASN 72 1HD2 ASN 72 -4.968 19.249 1.159 609 2HD2 ASN 72 2HD2 ASN 72 -4.185 17.994 2.052 610 H LEU 73 H LEU 73 0.758 20.427 4.106 611 HA LEU 73 HA LEU 73 2.754 18.334 3.934 612 1HB LEU 73 1HB LEU 73 2.441 20.852 5.514 613 2HB LEU 73 2HB LEU 73 3.544 19.619 6.095 614 HG LEU 73 HG LEU 73 4.765 21.272 4.825 615 1HD1 LEU 73 1HD1 LEU 73 4.685 18.485 4.166 616 2HD1 LEU 73 2HD1 LEU 73 5.121 19.425 2.740 617 3HD1 LEU 73 3HD1 LEU 73 6.063 19.582 4.222 618 1HD2 LEU 73 1HD2 LEU 73 4.282 21.385 2.314 619 2HD2 LEU 73 2HD2 LEU 73 2.710 20.697 2.715 620 3HD2 LEU 73 3HD2 LEU 73 3.191 22.249 3.398 621 H GLY 74 H GLY 74 1.536 16.496 4.452 622 1HA GLY 74 1HA GLY 74 1.532 15.019 6.444 623 2HA GLY 74 2HA GLY 74 0.729 16.333 7.292 624 H GLY 75 H GLY 75 -0.509 13.996 7.456 625 1HA GLY 75 1HA GLY 75 -2.739 14.248 5.534 626 2HA GLY 75 2HA GLY 75 -2.141 12.685 6.065 627 H THR 76 H THR 76 -3.609 11.778 7.337 628 HA THR 76 HA THR 76 -5.448 13.324 8.900 629 HB THR 76 HB THR 76 -5.938 10.883 9.802 630 HG1 THR 76 HG1 THR 76 -4.480 9.599 8.967 631 1HG2 THR 76 1HG2 THR 76 -6.632 10.988 6.960 632 2HG2 THR 76 2HG2 THR 76 -7.660 10.808 8.382 633 3HG2 THR 76 3HG2 THR 76 -7.097 12.408 7.896 634 H GLY 77 H GLY 77 -4.908 14.255 10.749 635 1HA GLY 77 1HA GLY 77 -4.203 13.045 13.075 636 2HA GLY 77 2HA GLY 77 -2.654 13.352 12.304 637 H PHE 78 H PHE 78 -5.610 15.309 12.307 638 HA PHE 78 HA PHE 78 -4.191 17.715 12.773 639 1HB PHE 78 1HB PHE 78 -6.905 16.930 12.206 640 2HB PHE 78 2HB PHE 78 -6.884 18.134 13.490 641 HD1 PHE 78 HD1 PHE 78 -5.701 20.317 13.077 642 HD2 PHE 78 HD2 PHE 78 -6.549 17.532 9.974 643 HE1 PHE 78 HE1 PHE 78 -5.404 22.098 11.403 644 HE2 PHE 78 HE2 PHE 78 -6.253 19.305 8.295 645 HZ PHE 78 HZ PHE 78 -5.679 21.592 9.009 646 H GLN 79 H GLN 79 -3.883 18.909 14.588 647 HA GLN 79 HA GLN 79 -5.051 18.050 17.111 648 1HB GLN 79 1HB GLN 79 -2.368 17.380 16.348 649 2HB GLN 79 2HB GLN 79 -2.313 18.514 17.691 650 1HG GLN 79 1HG GLN 79 -4.227 16.792 18.539 651 2HG GLN 79 2HG GLN 79 -3.179 15.718 17.613 652 1HE2 GLN 79 1HE2 GLN 79 -1.210 15.336 20.426 653 2HE2 GLN 79 2HE2 GLN 79 -2.176 14.620 19.185 Start of MODEL 23 1 1H MET 1 1H MET 1 -17.217 1.146 -3.080 2 2H MET 1 2H MET 1 -16.155 2.370 -2.519 3 3H MET 1 3H MET 1 -17.360 2.744 -3.680 4 HA MET 1 HA MET 1 -15.901 0.654 -4.707 5 1HB MET 1 1HB MET 1 -16.097 3.610 -5.288 6 2HB MET 1 2HB MET 1 -15.223 2.497 -6.331 7 1HG MET 1 1HG MET 1 -17.291 1.216 -6.665 8 2HG MET 1 2HG MET 1 -18.155 2.378 -5.660 9 1HE MET 1 1HE MET 1 -18.997 5.222 -7.799 10 2HE MET 1 2HE MET 1 -19.110 4.343 -6.276 11 3HE MET 1 3HE MET 1 -17.702 5.350 -6.610 12 H ASP 2 H ASP 2 -14.693 3.731 -3.369 13 HA ASP 2 HA ASP 2 -11.951 2.944 -3.692 14 1HB ASP 2 1HB ASP 2 -11.492 5.058 -2.409 15 2HB ASP 2 2HB ASP 2 -12.451 5.283 -3.869 16 H ARG 3 H ARG 3 -10.639 1.986 -2.267 17 HA ARG 3 HA ARG 3 -11.766 1.174 0.299 18 1HB ARG 3 1HB ARG 3 -9.764 0.077 -1.559 19 2HB ARG 3 2HB ARG 3 -9.334 -0.069 0.140 20 1HG ARG 3 1HG ARG 3 -11.737 -1.016 0.401 21 2HG ARG 3 2HG ARG 3 -11.626 -1.278 -1.339 22 1HD ARG 3 1HD ARG 3 -10.004 -2.874 -1.137 23 2HD ARG 3 2HD ARG 3 -9.354 -2.176 0.347 24 HE ARG 3 HE ARG 3 -11.262 -4.248 0.163 25 1HH1 ARG 3 1HH1 ARG 3 -11.286 -1.981 3.464 26 2HH1 ARG 3 2HH1 ARG 3 -10.516 -1.395 2.029 27 1HH2 ARG 3 1HH2 ARG 3 -12.292 -4.036 3.475 28 2HH2 ARG 3 2HH2 ARG 3 -12.281 -5.018 2.047 29 H VAL 4 H VAL 4 -11.548 2.981 1.557 30 HA VAL 4 HA VAL 4 -9.032 4.375 1.722 31 HB VAL 4 HB VAL 4 -10.141 5.670 3.553 32 1HG1 VAL 4 1HG1 VAL 4 -11.940 6.628 1.969 33 2HG1 VAL 4 2HG1 VAL 4 -10.249 6.694 1.472 34 3HG1 VAL 4 3HG1 VAL 4 -11.318 5.456 0.808 35 1HG2 VAL 4 1HG2 VAL 4 -12.770 4.544 2.809 36 2HG2 VAL 4 2HG2 VAL 4 -11.757 3.563 3.867 37 3HG2 VAL 4 3HG2 VAL 4 -12.207 5.199 4.347 38 H LEU 5 H LEU 5 -7.416 3.817 2.915 39 HA LEU 5 HA LEU 5 -7.704 1.810 4.997 40 1HB LEU 5 1HB LEU 5 -5.124 2.094 5.008 41 2HB LEU 5 2HB LEU 5 -5.902 1.237 3.705 42 HG LEU 5 HG LEU 5 -5.795 3.352 2.380 43 1HD1 LEU 5 1HD1 LEU 5 -3.680 4.658 3.514 44 2HD1 LEU 5 2HD1 LEU 5 -5.360 5.193 3.508 45 3HD1 LEU 5 3HD1 LEU 5 -4.726 4.290 4.885 46 1HD2 LEU 5 1HD2 LEU 5 -3.720 2.850 1.551 47 2HD2 LEU 5 2HD2 LEU 5 -3.040 2.548 3.154 48 3HD2 LEU 5 3HD2 LEU 5 -4.126 1.368 2.416 49 H SER 6 H SER 6 -7.277 2.092 7.121 50 HA SER 6 HA SER 6 -7.401 4.793 8.118 51 1HB SER 6 1HB SER 6 -7.678 3.789 10.294 52 2HB SER 6 2HB SER 6 -8.656 2.872 9.148 53 HG SER 6 HG SER 6 -6.653 2.018 10.713 54 H ARG 7 H ARG 7 -5.934 5.019 10.278 55 HA ARG 7 HA ARG 7 -3.355 5.554 9.382 56 1HB ARG 7 1HB ARG 7 -4.115 5.018 12.255 57 2HB ARG 7 2HB ARG 7 -2.783 6.007 11.673 58 1HG ARG 7 1HG ARG 7 -5.144 7.041 10.523 59 2HG ARG 7 2HG ARG 7 -5.471 6.765 12.235 60 1HD ARG 7 1HD ARG 7 -3.657 8.140 12.891 61 2HD ARG 7 2HD ARG 7 -3.017 8.202 11.253 62 HE ARG 7 HE ARG 7 -5.092 9.482 10.694 63 1HH1 ARG 7 1HH1 ARG 7 -4.539 11.006 14.359 64 2HH1 ARG 7 2HH1 ARG 7 -3.830 9.481 13.959 65 1HH2 ARG 7 1HH2 ARG 7 -5.776 12.144 12.816 66 2HH2 ARG 7 2HH2 ARG 7 -6.013 11.487 11.230 67 H ALA 8 H ALA 8 -4.641 2.714 11.034 68 HA ALA 8 HA ALA 8 -2.150 1.445 11.481 69 1HB ALA 8 1HB ALA 8 -3.483 -0.582 11.871 70 2HB ALA 8 2HB ALA 8 -4.126 0.816 12.732 71 3HB ALA 8 3HB ALA 8 -4.909 0.254 11.257 72 H ASP 9 H ASP 9 -4.515 1.217 8.842 73 HA ASP 9 HA ASP 9 -3.191 -0.866 7.457 74 1HB ASP 9 1HB ASP 9 -5.054 1.238 6.353 75 2HB ASP 9 2HB ASP 9 -4.646 -0.291 5.585 76 H LYS 10 H LYS 10 -3.216 2.676 6.882 77 HA LYS 10 HA LYS 10 -1.417 2.660 4.741 78 1HB LYS 10 1HB LYS 10 -0.970 5.026 5.309 79 2HB LYS 10 2HB LYS 10 -2.686 4.651 5.270 80 1HG LYS 10 1HG LYS 10 -2.962 5.037 7.475 81 2HG LYS 10 2HG LYS 10 -1.361 4.434 7.889 82 1HD LYS 10 1HD LYS 10 -0.918 6.616 8.247 83 2HD LYS 10 2HD LYS 10 -0.688 6.640 6.497 84 1HE LYS 10 1HE LYS 10 -2.177 8.331 6.591 85 2HE LYS 10 2HE LYS 10 -3.352 7.017 6.635 86 1HZ LYS 10 1HZ LYS 10 -4.047 7.874 8.543 87 2HZ LYS 10 2HZ LYS 10 -2.585 7.396 9.247 88 3HZ LYS 10 3HZ LYS 10 -2.752 8.959 8.623 89 H GLU 11 H GLU 11 -0.882 2.617 8.213 90 HA GLU 11 HA GLU 11 1.940 2.989 8.082 91 1HB GLU 11 1HB GLU 11 0.052 2.004 10.205 92 2HB GLU 11 2HB GLU 11 1.791 1.904 10.438 93 1HG GLU 11 1HG GLU 11 1.292 4.515 9.565 94 2HG GLU 11 2HG GLU 11 0.034 4.150 10.744 95 H ARG 12 H ARG 12 -0.229 0.280 7.830 96 HA ARG 12 HA ARG 12 1.691 -1.786 8.182 97 1HB ARG 12 1HB ARG 12 -0.774 -2.126 8.344 98 2HB ARG 12 2HB ARG 12 -0.900 -1.847 6.613 99 1HG ARG 12 1HG ARG 12 0.481 -3.813 6.189 100 2HG ARG 12 2HG ARG 12 0.620 -4.089 7.925 101 1HD ARG 12 1HD ARG 12 -1.136 -5.464 7.547 102 2HD ARG 12 2HD ARG 12 -2.047 -3.965 7.716 103 HE ARG 12 HE ARG 12 -1.305 -4.271 5.030 104 1HH1 ARG 12 1HH1 ARG 12 -4.560 -6.282 6.216 105 2HH1 ARG 12 2HH1 ARG 12 -3.418 -5.729 7.395 106 1HH2 ARG 12 1HH2 ARG 12 -4.211 -5.871 3.994 107 2HH2 ARG 12 2HH2 ARG 12 -2.805 -4.999 3.481 108 H LEU 13 H LEU 13 0.395 -0.040 5.404 109 HA LEU 13 HA LEU 13 1.590 -1.416 3.317 110 1HB LEU 13 1HB LEU 13 -0.025 0.289 2.874 111 2HB LEU 13 2HB LEU 13 0.934 1.499 3.694 112 HG LEU 13 HG LEU 13 2.643 0.761 1.707 113 1HD1 LEU 13 1HD1 LEU 13 0.838 -0.714 0.774 114 2HD1 LEU 13 2HD1 LEU 13 -0.089 0.750 0.447 115 3HD1 LEU 13 3HD1 LEU 13 1.469 0.499 -0.340 116 1HD2 LEU 13 1HD2 LEU 13 0.561 2.818 1.134 117 2HD2 LEU 13 2HD2 LEU 13 1.620 3.019 2.533 118 3HD2 LEU 13 3HD2 LEU 13 2.312 2.891 0.915 119 H LEU 14 H LEU 14 2.877 0.999 5.502 120 HA LEU 14 HA LEU 14 5.314 1.487 4.177 121 1HB LEU 14 1HB LEU 14 4.376 1.795 7.005 122 2HB LEU 14 2HB LEU 14 6.045 2.114 6.587 123 HG LEU 14 HG LEU 14 3.586 3.580 5.668 124 1HD1 LEU 14 1HD1 LEU 14 5.397 3.958 7.767 125 2HD1 LEU 14 2HD1 LEU 14 5.816 5.165 6.551 126 3HD1 LEU 14 3HD1 LEU 14 4.173 5.086 7.186 127 1HD2 LEU 14 1HD2 LEU 14 6.105 3.206 4.256 128 2HD2 LEU 14 2HD2 LEU 14 4.584 3.898 3.696 129 3HD2 LEU 14 3HD2 LEU 14 5.741 4.901 4.570 130 H GLU 15 H GLU 15 4.539 -0.684 6.890 131 HA GLU 15 HA GLU 15 7.019 -1.734 7.399 132 1HB GLU 15 1HB GLU 15 4.681 -2.221 8.467 133 2HB GLU 15 2HB GLU 15 4.651 -3.567 7.335 134 1HG GLU 15 1HG GLU 15 6.956 -4.157 8.309 135 2HG GLU 15 2HG GLU 15 6.509 -3.076 9.626 136 H LEU 16 H LEU 16 4.900 -2.441 4.705 137 HA LEU 16 HA LEU 16 6.482 -4.696 3.821 138 1HB LEU 16 1HB LEU 16 4.085 -3.249 2.752 139 2HB LEU 16 2HB LEU 16 4.966 -4.368 1.730 140 HG LEU 16 HG LEU 16 4.616 -6.038 3.711 141 1HD1 LEU 16 1HD1 LEU 16 3.329 -3.802 4.754 142 2HD1 LEU 16 2HD1 LEU 16 2.030 -4.882 4.254 143 3HD1 LEU 16 3HD1 LEU 16 3.269 -5.450 5.375 144 1HD2 LEU 16 1HD2 LEU 16 2.127 -6.277 2.726 145 2HD2 LEU 16 2HD2 LEU 16 2.838 -5.222 1.502 146 3HD2 LEU 16 3HD2 LEU 16 3.573 -6.786 1.852 147 H LEU 17 H LEU 17 6.127 -1.290 3.009 148 HA LEU 17 HA LEU 17 7.813 -1.432 0.690 149 1HB LEU 17 1HB LEU 17 6.374 0.687 2.165 150 2HB LEU 17 2HB LEU 17 7.774 1.189 1.239 151 HG LEU 17 HG LEU 17 6.768 0.213 -0.793 152 1HD1 LEU 17 1HD1 LEU 17 4.960 -0.927 1.139 153 2HD1 LEU 17 2HD1 LEU 17 4.080 -0.028 -0.096 154 3HD1 LEU 17 3HD1 LEU 17 5.183 -1.321 -0.565 155 1HD2 LEU 17 1HD2 LEU 17 6.237 2.393 -0.898 156 2HD2 LEU 17 2HD2 LEU 17 4.604 1.830 -0.546 157 3HD2 LEU 17 3HD2 LEU 17 5.629 2.433 0.757 158 H LYS 18 H LYS 18 8.632 -1.812 3.820 159 HA LYS 18 HA LYS 18 10.558 -1.533 5.018 160 1HB LYS 18 1HB LYS 18 11.346 -1.836 2.229 161 2HB LYS 18 2HB LYS 18 12.510 -0.898 3.151 162 1HG LYS 18 1HG LYS 18 13.378 -2.824 3.828 163 2HG LYS 18 2HG LYS 18 11.915 -3.062 4.787 164 1HD LYS 18 1HD LYS 18 11.004 -4.528 3.286 165 2HD LYS 18 2HD LYS 18 11.826 -3.795 1.909 166 1HE LYS 18 1HE LYS 18 13.928 -4.748 3.350 167 2HE LYS 18 2HE LYS 18 12.690 -5.955 3.695 168 1HZ LYS 18 1HZ LYS 18 13.643 -5.118 1.011 169 2HZ LYS 18 2HZ LYS 18 13.923 -6.607 1.763 170 3HZ LYS 18 3HZ LYS 18 12.358 -6.185 1.280 171 H LEU 19 H LEU 19 8.886 0.777 4.006 172 HA LEU 19 HA LEU 19 10.799 2.958 4.432 173 1HB LEU 19 1HB LEU 19 9.667 2.901 2.237 174 2HB LEU 19 2HB LEU 19 8.116 2.984 3.049 175 HG LEU 19 HG LEU 19 9.960 5.153 3.759 176 1HD1 LEU 19 1HD1 LEU 19 9.568 4.452 0.981 177 2HD1 LEU 19 2HD1 LEU 19 8.936 6.058 1.344 178 3HD1 LEU 19 3HD1 LEU 19 10.618 5.669 1.702 179 1HD2 LEU 19 1HD2 LEU 19 7.785 5.375 4.546 180 2HD2 LEU 19 2HD2 LEU 19 7.810 6.421 3.124 181 3HD2 LEU 19 3HD2 LEU 19 7.075 4.822 3.029 182 HA PRO 20 HA PRO 20 8.593 2.978 8.403 183 1HB PRO 20 1HB PRO 20 10.379 5.292 8.842 184 2HB PRO 20 2HB PRO 20 10.144 3.846 9.826 185 1HG PRO 20 1HG PRO 20 12.350 4.223 8.336 186 2HG PRO 20 2HG PRO 20 11.661 2.615 8.616 187 1HD PRO 20 1HD PRO 20 11.570 4.328 6.194 188 2HD PRO 20 2HD PRO 20 11.617 2.561 6.327 189 H ARG 21 H ARG 21 7.620 4.757 9.736 190 HA ARG 21 HA ARG 21 6.042 6.470 8.015 191 1HB ARG 21 1HB ARG 21 4.846 7.016 10.165 192 2HB ARG 21 2HB ARG 21 4.815 5.318 9.708 193 1HG ARG 21 1HG ARG 21 7.089 5.902 11.386 194 2HG ARG 21 2HG ARG 21 5.579 6.389 12.157 195 1HD ARG 21 1HD ARG 21 4.672 4.178 11.885 196 2HD ARG 21 2HD ARG 21 6.066 3.676 10.937 197 HE ARG 21 HE ARG 21 7.401 3.869 12.958 198 1HH1 ARG 21 1HH1 ARG 21 4.025 3.261 15.028 199 2HH1 ARG 21 2HH1 ARG 21 3.928 3.809 13.392 200 1HH2 ARG 21 1HH2 ARG 21 6.053 2.891 16.003 201 2HH2 ARG 21 2HH2 ARG 21 7.513 3.153 15.109 202 H GLN 22 H GLN 22 8.905 6.716 9.747 203 HA GLN 22 HA GLN 22 8.791 9.338 10.761 204 1HB GLN 22 1HB GLN 22 10.584 7.294 10.865 205 2HB GLN 22 2HB GLN 22 11.399 8.396 9.765 206 1HG GLN 22 1HG GLN 22 11.866 9.871 11.383 207 2HG GLN 22 2HG GLN 22 10.302 9.657 12.171 208 1HE2 GLN 22 1HE2 GLN 22 13.009 8.397 14.378 209 2HE2 GLN 22 2HE2 GLN 22 12.672 9.896 13.588 210 H LEU 23 H LEU 23 9.341 8.070 7.588 211 HA LEU 23 HA LEU 23 9.835 10.794 6.615 212 1HB LEU 23 1HB LEU 23 11.138 9.935 4.814 213 2HB LEU 23 2HB LEU 23 11.752 9.263 6.305 214 HG LEU 23 HG LEU 23 11.823 7.595 4.571 215 1HD1 LEU 23 1HD1 LEU 23 11.282 6.802 6.829 216 2HD1 LEU 23 2HD1 LEU 23 9.569 6.934 6.443 217 3HD1 LEU 23 3HD1 LEU 23 10.574 5.785 5.569 218 1HD2 LEU 23 1HD2 LEU 23 9.805 8.726 3.381 219 2HD2 LEU 23 2HD2 LEU 23 10.128 7.009 3.183 220 3HD2 LEU 23 3HD2 LEU 23 8.871 7.542 4.300 221 H TRP 24 H TRP 24 7.356 8.983 7.035 222 HA TRP 24 HA TRP 24 6.122 8.353 4.641 223 1HB TRP 24 1HB TRP 24 5.162 7.704 6.750 224 2HB TRP 24 2HB TRP 24 4.973 9.380 7.240 225 HD1 TRP 24 HD1 TRP 24 2.872 10.715 6.266 226 HE1 TRP 24 HE1 TRP 24 0.669 9.910 5.201 227 HE3 TRP 24 HE3 TRP 24 4.205 5.909 5.183 228 HZ2 TRP 24 HZ2 TRP 24 -0.366 7.533 4.060 229 HZ3 TRP 24 HZ3 TRP 24 2.555 4.429 4.106 230 HH2 TRP 24 HH2 TRP 24 0.319 5.232 3.555 231 H GLY 25 H GLY 25 6.123 9.701 2.922 232 1HA GLY 25 1HA GLY 25 4.405 11.661 2.405 233 2HA GLY 25 2HA GLY 25 5.624 12.548 3.305 234 H ASP 26 H ASP 26 7.837 10.956 2.248 235 HA ASP 26 HA ASP 26 8.318 12.483 -0.121 236 1HB ASP 26 1HB ASP 26 9.995 11.623 1.692 237 2HB ASP 26 2HB ASP 26 10.029 10.164 0.709 238 H PHE 27 H PHE 27 6.735 11.832 -1.605 239 HA PHE 27 HA PHE 27 5.960 9.327 -2.357 240 1HB PHE 27 1HB PHE 27 5.088 11.519 -3.238 241 2HB PHE 27 2HB PHE 27 6.465 11.545 -4.338 242 HD1 PHE 27 HD1 PHE 27 5.794 11.078 -6.480 243 HD2 PHE 27 HD2 PHE 27 4.086 8.879 -3.260 244 HE1 PHE 27 HE1 PHE 27 4.536 9.707 -8.090 245 HE2 PHE 27 HE2 PHE 27 2.824 7.504 -4.865 246 HZ PHE 27 HZ PHE 27 3.049 7.917 -7.282 247 H GLY 28 H GLY 28 8.834 11.059 -3.501 248 1HA GLY 28 1HA GLY 28 9.643 9.258 -5.471 249 2HA GLY 28 2HA GLY 28 10.717 10.322 -4.580 250 H ARG 29 H ARG 29 10.103 9.104 -1.987 251 HA ARG 29 HA ARG 29 11.972 6.914 -2.194 252 1HB ARG 29 1HB ARG 29 11.086 8.732 -0.136 253 2HB ARG 29 2HB ARG 29 11.059 7.076 0.454 254 1HG ARG 29 1HG ARG 29 13.481 7.350 -0.922 255 2HG ARG 29 2HG ARG 29 13.292 8.826 0.027 256 1HD ARG 29 1HD ARG 29 12.826 7.405 2.018 257 2HD ARG 29 2HD ARG 29 13.204 5.987 1.042 258 HE ARG 29 HE ARG 29 15.085 8.011 1.992 259 1HH1 ARG 29 1HH1 ARG 29 16.207 4.639 0.141 260 2HH1 ARG 29 2HH1 ARG 29 14.534 5.081 0.163 261 1HH2 ARG 29 1HH2 ARG 29 17.763 5.966 1.157 262 2HH2 ARG 29 2HH2 ARG 29 17.279 7.425 1.955 263 H MET 30 H MET 30 8.604 7.306 -1.095 264 HA MET 30 HA MET 30 8.208 4.618 -0.386 265 1HB MET 30 1HB MET 30 5.747 5.161 -0.741 266 2HB MET 30 2HB MET 30 6.614 6.141 0.430 267 1HG MET 30 1HG MET 30 6.813 7.937 -1.176 268 2HG MET 30 2HG MET 30 6.031 6.950 -2.407 269 1HE MET 30 1HE MET 30 5.832 8.324 1.072 270 2HE MET 30 2HE MET 30 4.158 8.829 1.304 271 3HE MET 30 3HE MET 30 4.601 7.133 1.495 272 H GLN 31 H GLN 31 7.617 6.315 -3.453 273 HA GLN 31 HA GLN 31 6.486 4.108 -4.798 274 1HB GLN 31 1HB GLN 31 6.506 6.584 -5.506 275 2HB GLN 31 2HB GLN 31 8.100 6.247 -6.170 276 1HG GLN 31 1HG GLN 31 7.093 4.456 -7.551 277 2HG GLN 31 2HG GLN 31 5.507 4.936 -6.952 278 1HE2 GLN 31 1HE2 GLN 31 7.518 7.583 -9.352 279 2HE2 GLN 31 2HE2 GLN 31 8.376 6.617 -8.205 280 H GLN 32 H GLN 32 9.816 5.282 -4.532 281 HA GLN 32 HA GLN 32 11.000 3.440 -6.288 282 1HB GLN 32 1HB GLN 32 12.148 5.448 -5.426 283 2HB GLN 32 2HB GLN 32 12.196 4.724 -3.825 284 1HG GLN 32 1HG GLN 32 13.881 3.310 -4.359 285 2HG GLN 32 2HG GLN 32 13.373 3.160 -6.040 286 1HE2 GLN 32 1HE2 GLN 32 16.378 5.552 -5.107 287 2HE2 GLN 32 2HE2 GLN 32 15.723 4.322 -4.085 288 H ALA 33 H ALA 33 10.313 3.282 -2.826 289 HA ALA 33 HA ALA 33 11.519 0.715 -2.461 290 1HB ALA 33 1HB ALA 33 9.449 1.918 -0.650 291 2HB ALA 33 2HB ALA 33 10.774 0.828 -0.240 292 3HB ALA 33 3HB ALA 33 11.112 2.503 -0.683 293 H TYR 34 H TYR 34 8.334 1.890 -3.292 294 HA TYR 34 HA TYR 34 6.867 -0.453 -2.777 295 1HB TYR 34 1HB TYR 34 5.747 1.674 -3.181 296 2HB TYR 34 2HB TYR 34 6.382 1.728 -4.822 297 HD1 TYR 34 HD1 TYR 34 3.623 0.761 -2.795 298 HD2 TYR 34 HD2 TYR 34 5.712 -0.243 -6.374 299 HE1 TYR 34 HE1 TYR 34 1.658 -0.475 -3.609 300 HE2 TYR 34 HE2 TYR 34 3.741 -1.461 -7.192 301 HH TYR 34 HH TYR 34 1.389 -2.548 -5.420 302 H LYS 35 H LYS 35 8.491 0.701 -5.719 303 HA LYS 35 HA LYS 35 7.773 -1.495 -7.341 304 1HB LYS 35 1HB LYS 35 8.995 0.896 -7.789 305 2HB LYS 35 2HB LYS 35 10.362 -0.203 -7.917 306 1HG LYS 35 1HG LYS 35 8.345 -1.415 -9.397 307 2HG LYS 35 2HG LYS 35 8.221 0.303 -9.783 308 1HD LYS 35 1HD LYS 35 9.783 -0.308 -11.327 309 2HD LYS 35 2HD LYS 35 10.856 0.064 -9.975 310 1HE LYS 35 1HE LYS 35 10.816 -2.337 -9.353 311 2HE LYS 35 2HE LYS 35 9.855 -2.661 -10.796 312 1HZ LYS 35 1HZ LYS 35 12.584 -1.491 -10.787 313 2HZ LYS 35 2HZ LYS 35 12.214 -3.102 -11.146 314 3HZ LYS 35 3HZ LYS 35 11.667 -1.863 -12.158 315 H GLN 36 H GLN 36 10.564 -0.864 -5.273 316 HA GLN 36 HA GLN 36 12.110 -3.081 -6.008 317 1HB GLN 36 1HB GLN 36 11.952 -1.403 -3.523 318 2HB GLN 36 2HB GLN 36 13.003 -2.810 -3.581 319 1HG GLN 36 1HG GLN 36 13.453 -1.288 -5.929 320 2HG GLN 36 2HG GLN 36 13.482 -0.191 -4.552 321 1HE2 GLN 36 1HE2 GLN 36 16.786 -1.005 -3.991 322 2HE2 GLN 36 2HE2 GLN 36 15.568 0.197 -4.220 323 H GLN 37 H GLN 37 9.349 -2.777 -3.898 324 HA GLN 37 HA GLN 37 9.696 -5.405 -2.743 325 1HB GLN 37 1HB GLN 37 7.814 -3.137 -2.404 326 2HB GLN 37 2HB GLN 37 7.194 -4.740 -2.028 327 1HG GLN 37 1HG GLN 37 9.803 -3.855 -0.887 328 2HG GLN 37 2HG GLN 37 8.290 -3.295 -0.175 329 1HE2 GLN 37 1HE2 GLN 37 9.566 -6.503 1.368 330 2HE2 GLN 37 2HE2 GLN 37 10.358 -5.028 0.940 331 H SER 38 H SER 38 7.900 -3.925 -5.347 332 HA SER 38 HA SER 38 5.959 -5.878 -5.786 333 1HB SER 38 1HB SER 38 7.366 -3.988 -7.673 334 2HB SER 38 2HB SER 38 6.075 -5.062 -8.205 335 HG SER 38 HG SER 38 5.703 -2.733 -7.274 336 H LEU 39 H LEU 39 9.365 -5.905 -6.445 337 HA LEU 39 HA LEU 39 9.251 -8.082 -8.320 338 1HB LEU 39 1HB LEU 39 11.348 -6.405 -7.094 339 2HB LEU 39 2HB LEU 39 11.839 -8.030 -7.534 340 HG LEU 39 HG LEU 39 10.368 -6.771 -9.690 341 1HD1 LEU 39 1HD1 LEU 39 12.654 -5.335 -10.031 342 2HD1 LEU 39 2HD1 LEU 39 11.124 -4.678 -9.451 343 3HD1 LEU 39 3HD1 LEU 39 12.373 -5.153 -8.300 344 1HD2 LEU 39 1HD2 LEU 39 13.234 -7.394 -9.956 345 2HD2 LEU 39 2HD2 LEU 39 12.203 -8.729 -9.442 346 3HD2 LEU 39 3HD2 LEU 39 11.865 -7.886 -10.954 347 H LEU 40 H LEU 40 10.130 -7.729 -4.889 348 HA LEU 40 HA LEU 40 10.664 -10.550 -4.638 349 1HB LEU 40 1HB LEU 40 11.107 -10.089 -2.300 350 2HB LEU 40 2HB LEU 40 11.955 -8.958 -3.333 351 HG LEU 40 HG LEU 40 9.613 -7.615 -2.757 352 1HD1 LEU 40 1HD1 LEU 40 9.067 -7.853 -0.514 353 2HD1 LEU 40 2HD1 LEU 40 9.285 -9.521 -1.045 354 3HD1 LEU 40 3HD1 LEU 40 10.561 -8.710 -0.138 355 1HD2 LEU 40 1HD2 LEU 40 12.445 -7.500 -1.979 356 2HD2 LEU 40 2HD2 LEU 40 11.390 -6.240 -2.618 357 3HD2 LEU 40 3HD2 LEU 40 11.339 -6.643 -0.902 358 H LEU 41 H LEU 41 7.845 -8.759 -4.714 359 HA LEU 41 HA LEU 41 6.417 -10.438 -2.805 360 1HB LEU 41 1HB LEU 41 5.596 -8.080 -4.486 361 2HB LEU 41 2HB LEU 41 4.441 -9.027 -3.570 362 HG LEU 41 HG LEU 41 6.789 -7.573 -2.354 363 1HD1 LEU 41 1HD1 LEU 41 4.187 -6.627 -3.204 364 2HD1 LEU 41 2HD1 LEU 41 4.444 -6.392 -1.475 365 3HD1 LEU 41 3HD1 LEU 41 5.589 -5.722 -2.636 366 1HD2 LEU 41 1HD2 LEU 41 5.082 -9.607 -1.358 367 2HD2 LEU 41 2HD2 LEU 41 6.332 -8.704 -0.504 368 3HD2 LEU 41 3HD2 LEU 41 4.675 -8.102 -0.533 369 H HIS 42 H HIS 42 7.504 -10.967 -5.768 370 HA HIS 42 HA HIS 42 5.096 -12.056 -6.971 371 1HB HIS 42 1HB HIS 42 6.958 -10.824 -8.234 372 2HB HIS 42 2HB HIS 42 7.916 -12.283 -8.020 373 HD1 HIS 42 HD1 HIS 42 7.950 -13.469 -10.176 374 HD2 HIS 42 HD2 HIS 42 4.199 -11.881 -9.361 375 HE1 HIS 42 HE1 HIS 42 6.483 -14.210 -12.077 376 HE2 HIS 42 HE2 HIS 42 4.196 -13.314 -11.515 377 HA PRO 43 HA PRO 43 5.626 -16.060 -5.098 378 1HB PRO 43 1HB PRO 43 4.409 -17.512 -7.137 379 2HB PRO 43 2HB PRO 43 3.577 -16.765 -5.769 380 1HG PRO 43 1HG PRO 43 3.911 -15.769 -8.562 381 2HG PRO 43 2HG PRO 43 2.510 -15.641 -7.481 382 1HD PRO 43 1HD PRO 43 4.130 -13.553 -7.915 383 2HD PRO 43 2HD PRO 43 3.419 -13.845 -6.318 384 H ASP 44 H ASP 44 6.892 -15.139 -8.169 385 HA ASP 44 HA ASP 44 8.252 -17.625 -8.683 386 1HB ASP 44 1HB ASP 44 7.485 -15.724 -10.353 387 2HB ASP 44 2HB ASP 44 9.074 -15.062 -9.979 388 H LYS 45 H LYS 45 8.882 -14.752 -6.882 389 HA LYS 45 HA LYS 45 11.716 -15.492 -6.614 390 1HB LYS 45 1HB LYS 45 10.280 -12.877 -6.181 391 2HB LYS 45 2HB LYS 45 11.923 -13.157 -5.621 392 1HG LYS 45 1HG LYS 45 12.070 -12.024 -7.692 393 2HG LYS 45 2HG LYS 45 12.541 -13.699 -7.986 394 1HD LYS 45 1HD LYS 45 10.873 -14.000 -9.438 395 2HD LYS 45 2HD LYS 45 9.688 -13.313 -8.324 396 1HE LYS 45 1HE LYS 45 9.551 -11.752 -9.966 397 2HE LYS 45 2HE LYS 45 10.894 -11.059 -9.059 398 1HZ LYS 45 1HZ LYS 45 12.018 -12.860 -10.823 399 2HZ LYS 45 2HZ LYS 45 10.852 -12.027 -11.721 400 3HZ LYS 45 3HZ LYS 45 12.069 -11.170 -10.917 401 H GLY 46 H GLY 46 9.484 -16.797 -5.235 402 1HA GLY 46 1HA GLY 46 9.145 -17.688 -3.142 403 2HA GLY 46 2HA GLY 46 10.612 -16.870 -2.627 404 H GLY 47 H GLY 47 7.563 -15.539 -3.881 405 1HA GLY 47 1HA GLY 47 7.270 -14.111 -1.310 406 2HA GLY 47 2HA GLY 47 6.930 -13.355 -2.860 407 H SER 48 H SER 48 5.014 -13.292 -0.942 408 HA SER 48 HA SER 48 3.161 -15.484 -1.417 409 1HB SER 48 1HB SER 48 3.469 -13.377 0.599 410 2HB SER 48 2HB SER 48 1.796 -13.634 0.103 411 HG SER 48 HG SER 48 2.642 -14.981 1.883 412 H HIS 49 H HIS 49 0.947 -15.074 -2.084 413 HA HIS 49 HA HIS 49 0.863 -13.248 -4.322 414 1HB HIS 49 1HB HIS 49 -0.168 -15.702 -3.999 415 2HB HIS 49 2HB HIS 49 -1.565 -14.751 -3.503 416 HD1 HIS 49 HD1 HIS 49 -0.955 -16.501 -6.241 417 HD2 HIS 49 HD2 HIS 49 -1.323 -12.388 -5.792 418 HE1 HIS 49 HE1 HIS 49 -1.588 -15.632 -8.514 419 HE2 HIS 49 HE2 HIS 49 -1.720 -13.131 -8.236 420 H ALA 50 H ALA 50 -1.042 -13.750 -1.357 421 HA ALA 50 HA ALA 50 -2.811 -11.631 -1.638 422 1HB ALA 50 1HB ALA 50 -2.552 -13.549 0.178 423 2HB ALA 50 2HB ALA 50 -1.810 -12.232 1.087 424 3HB ALA 50 3HB ALA 50 -3.464 -12.073 0.496 425 H LEU 51 H LEU 51 0.552 -11.591 -0.852 426 HA LEU 51 HA LEU 51 0.672 -9.105 0.485 427 1HB LEU 51 1HB LEU 51 2.576 -10.981 -0.756 428 2HB LEU 51 2HB LEU 51 3.111 -9.312 -0.693 429 HG LEU 51 HG LEU 51 2.621 -9.353 1.783 430 1HD1 LEU 51 1HD1 LEU 51 1.553 -11.898 1.092 431 2HD1 LEU 51 2HD1 LEU 51 2.912 -12.137 2.191 432 3HD1 LEU 51 3HD1 LEU 51 1.571 -11.094 2.660 433 1HD2 LEU 51 1HD2 LEU 51 4.789 -10.681 0.330 434 2HD2 LEU 51 2HD2 LEU 51 4.853 -9.469 1.610 435 3HD2 LEU 51 3HD2 LEU 51 4.641 -11.171 2.018 436 H MET 52 H MET 52 1.403 -9.951 -2.900 437 HA MET 52 HA MET 52 1.885 -7.330 -3.769 438 1HB MET 52 1HB MET 52 1.762 -9.934 -4.922 439 2HB MET 52 2HB MET 52 0.810 -8.849 -5.927 440 1HG MET 52 1HG MET 52 3.509 -7.967 -5.058 441 2HG MET 52 2HG MET 52 3.386 -9.196 -6.316 442 1HE MET 52 1HE MET 52 3.505 -4.913 -6.860 443 2HE MET 52 2HE MET 52 2.265 -5.198 -5.638 444 3HE MET 52 3HE MET 52 3.868 -5.912 -5.452 445 H GLN 53 H GLN 53 -1.059 -9.312 -4.124 446 HA GLN 53 HA GLN 53 -2.622 -7.378 -5.388 447 1HB GLN 53 1HB GLN 53 -4.548 -8.714 -4.708 448 2HB GLN 53 2HB GLN 53 -3.242 -9.740 -5.283 449 1HG GLN 53 1HG GLN 53 -3.400 -10.910 -3.419 450 2HG GLN 53 2HG GLN 53 -2.861 -9.492 -2.520 451 1HE2 GLN 53 1HE2 GLN 53 -5.869 -10.105 -0.773 452 2HE2 GLN 53 2HE2 GLN 53 -4.172 -10.434 -0.809 453 H GLU 54 H GLU 54 -1.828 -7.777 -2.012 454 HA GLU 54 HA GLU 54 -3.881 -5.964 -1.100 455 1HB GLU 54 1HB GLU 54 -1.643 -7.463 0.202 456 2HB GLU 54 2HB GLU 54 -2.394 -6.125 1.058 457 1HG GLU 54 1HG GLU 54 -4.499 -7.194 1.079 458 2HG GLU 54 2HG GLU 54 -3.967 -8.417 -0.074 459 H LEU 55 H LEU 55 -0.390 -5.862 -1.645 460 HA LEU 55 HA LEU 55 0.161 -3.366 -0.567 461 1HB LEU 55 1HB LEU 55 1.934 -4.813 -1.169 462 2HB LEU 55 2HB LEU 55 1.386 -4.914 -2.830 463 HG LEU 55 HG LEU 55 1.965 -2.496 -3.094 464 1HD1 LEU 55 1HD1 LEU 55 3.389 -1.441 -1.465 465 2HD1 LEU 55 2HD1 LEU 55 1.882 -1.931 -0.691 466 3HD1 LEU 55 3HD1 LEU 55 3.350 -2.879 -0.445 467 1HD2 LEU 55 1HD2 LEU 55 4.493 -3.731 -2.269 468 2HD2 LEU 55 2HD2 LEU 55 3.491 -4.717 -3.336 469 3HD2 LEU 55 3HD2 LEU 55 3.991 -3.102 -3.840 470 H ASN 56 H ASN 56 -0.733 -4.188 -3.919 471 HA ASN 56 HA ASN 56 -0.626 -1.606 -4.969 472 1HB ASN 56 1HB ASN 56 -2.214 -4.046 -5.736 473 2HB ASN 56 2HB ASN 56 -2.361 -2.537 -6.632 474 1HD2 ASN 56 1HD2 ASN 56 0.876 -4.926 -7.061 475 2HD2 ASN 56 2HD2 ASN 56 -0.349 -5.242 -5.885 476 H SER 57 H SER 57 -3.225 -3.277 -3.273 477 HA SER 57 HA SER 57 -5.236 -1.349 -3.751 478 1HB SER 57 1HB SER 57 -4.917 -3.747 -2.121 479 2HB SER 57 2HB SER 57 -5.892 -2.516 -1.321 480 HG SER 57 HG SER 57 -7.017 -2.421 -3.464 481 H LEU 58 H LEU 58 -2.996 -1.811 -1.032 482 HA LEU 58 HA LEU 58 -3.974 0.407 0.461 483 1HB LEU 58 1HB LEU 58 -1.544 -1.331 0.606 484 2HB LEU 58 2HB LEU 58 -1.631 0.123 1.580 485 HG LEU 58 HG LEU 58 -4.050 -1.436 1.866 486 1HD1 LEU 58 1HD1 LEU 58 -1.936 -2.939 3.190 487 2HD1 LEU 58 2HD1 LEU 58 -3.350 -3.506 2.299 488 3HD1 LEU 58 3HD1 LEU 58 -1.880 -3.066 1.432 489 1HD2 LEU 58 1HD2 LEU 58 -2.640 -1.383 4.272 490 2HD2 LEU 58 2HD2 LEU 58 -2.188 0.106 3.447 491 3HD2 LEU 58 3HD2 LEU 58 -3.887 -0.253 3.746 492 H TRP 59 H TRP 59 -1.688 0.061 -2.112 493 HA TRP 59 HA TRP 59 -0.493 2.661 -1.653 494 1HB TRP 59 1HB TRP 59 0.969 0.895 -2.386 495 2HB TRP 59 2HB TRP 59 -0.074 0.526 -3.751 496 HD1 TRP 59 HD1 TRP 59 0.631 1.547 -5.977 497 HE1 TRP 59 HE1 TRP 59 2.256 3.396 -6.725 498 HE3 TRP 59 HE3 TRP 59 1.964 3.364 -1.393 499 HZ2 TRP 59 HZ2 TRP 59 3.893 5.358 -5.529 500 HZ3 TRP 59 HZ3 TRP 59 3.575 5.214 -1.280 501 HH2 TRP 59 HH2 TRP 59 4.516 6.193 -3.307 502 H GLY 60 H GLY 60 -3.092 1.258 -3.409 503 1HA GLY 60 1HA GLY 60 -3.239 3.237 -5.482 504 2HA GLY 60 2HA GLY 60 -4.477 2.062 -5.075 505 H THR 61 H THR 61 -5.495 2.561 -2.770 506 HA THR 61 HA THR 61 -6.951 4.932 -2.978 507 HB THR 61 HB THR 61 -7.080 2.771 -1.334 508 HG1 THR 61 HG1 THR 61 -8.739 4.377 -1.826 509 1HG2 THR 61 1HG2 THR 61 -7.017 3.608 0.981 510 2HG2 THR 61 2HG2 THR 61 -5.436 3.347 0.242 511 3HG2 THR 61 3HG2 THR 61 -6.078 4.983 0.405 512 H PHE 62 H PHE 62 -4.188 4.088 -1.019 513 HA PHE 62 HA PHE 62 -3.550 6.379 0.333 514 1HB PHE 62 1HB PHE 62 -2.252 4.323 0.491 515 2HB PHE 62 2HB PHE 62 -1.743 4.484 -1.189 516 HD1 PHE 62 HD1 PHE 62 0.570 4.185 -0.441 517 HD2 PHE 62 HD2 PHE 62 -1.802 7.479 0.867 518 HE1 PHE 62 HE1 PHE 62 2.600 5.355 0.305 519 HE2 PHE 62 HE2 PHE 62 0.232 8.651 1.606 520 HZ PHE 62 HZ PHE 62 2.434 7.585 1.320 521 H LYS 63 H LYS 63 -2.619 5.497 -2.934 522 HA LYS 63 HA LYS 63 -1.269 7.798 -3.706 523 1HB LYS 63 1HB LYS 63 -2.220 5.384 -4.867 524 2HB LYS 63 2HB LYS 63 -2.709 6.689 -5.913 525 1HG LYS 63 1HG LYS 63 -0.352 7.461 -5.974 526 2HG LYS 63 2HG LYS 63 0.088 6.033 -5.032 527 1HD LYS 63 1HD LYS 63 -1.216 6.036 -7.755 528 2HD LYS 63 2HD LYS 63 0.475 5.667 -7.417 529 1HE LYS 63 1HE LYS 63 0.004 3.582 -6.721 530 2HE LYS 63 2HE LYS 63 -1.453 4.073 -5.872 531 1HZ LYS 63 1HZ LYS 63 -2.444 4.303 -8.198 532 2HZ LYS 63 2HZ LYS 63 -1.123 3.387 -8.725 533 3HZ LYS 63 3HZ LYS 63 -2.206 2.738 -7.600 534 H THR 64 H THR 64 -4.732 6.987 -3.999 535 HA THR 64 HA THR 64 -5.622 9.128 -5.480 536 HB THR 64 HB THR 64 -6.986 7.929 -3.055 537 HG1 THR 64 HG1 THR 64 -6.398 6.515 -4.881 538 1HG2 THR 64 1HG2 THR 64 -8.424 9.131 -5.376 539 2HG2 THR 64 2HG2 THR 64 -9.005 8.795 -3.745 540 3HG2 THR 64 3HG2 THR 64 -7.898 10.139 -4.026 541 H GLU 65 H GLU 65 -4.681 8.983 -2.123 542 HA GLU 65 HA GLU 65 -5.343 11.762 -1.630 543 1HB GLU 65 1HB GLU 65 -3.704 10.060 0.223 544 2HB GLU 65 2HB GLU 65 -4.809 11.369 0.615 545 1HG GLU 65 1HG GLU 65 -5.979 8.967 -0.652 546 2HG GLU 65 2HG GLU 65 -5.393 8.803 1.003 547 H VAL 66 H VAL 66 -2.586 9.749 -2.377 548 HA VAL 66 HA VAL 66 -0.483 11.370 -1.693 549 HB VAL 66 HB VAL 66 -0.756 9.492 -4.012 550 1HG1 VAL 66 1HG1 VAL 66 1.350 11.439 -3.475 551 2HG1 VAL 66 2HG1 VAL 66 1.943 9.783 -3.602 552 3HG1 VAL 66 3HG1 VAL 66 1.025 10.496 -4.929 553 1HG2 VAL 66 1HG2 VAL 66 0.649 8.051 -2.641 554 2HG2 VAL 66 2HG2 VAL 66 0.758 9.308 -1.409 555 3HG2 VAL 66 3HG2 VAL 66 -0.791 8.536 -1.747 556 H TYR 67 H TYR 67 -2.462 11.479 -4.618 557 HA TYR 67 HA TYR 67 -1.018 13.471 -5.968 558 1HB TYR 67 1HB TYR 67 -3.529 12.101 -6.286 559 2HB TYR 67 2HB TYR 67 -3.758 13.820 -6.586 560 HD1 TYR 67 HD1 TYR 67 -2.041 14.930 -8.210 561 HD2 TYR 67 HD2 TYR 67 -2.748 10.740 -7.994 562 HE1 TYR 67 HE1 TYR 67 -1.109 14.663 -10.470 563 HE2 TYR 67 HE2 TYR 67 -1.818 10.461 -10.254 564 HH TYR 67 HH TYR 67 -1.322 13.000 -12.365 565 H ASN 68 H ASN 68 -3.286 13.597 -3.341 566 HA ASN 68 HA ASN 68 -3.556 16.488 -3.512 567 1HB ASN 68 1HB ASN 68 -4.903 14.312 -2.001 568 2HB ASN 68 2HB ASN 68 -4.859 15.903 -1.248 569 1HD2 ASN 68 1HD2 ASN 68 -7.534 15.114 -4.062 570 2HD2 ASN 68 2HD2 ASN 68 -6.578 13.931 -3.242 571 H LEU 69 H LEU 69 -1.767 14.093 -1.714 572 HA LEU 69 HA LEU 69 -1.103 15.738 0.497 573 1HB LEU 69 1HB LEU 69 0.202 14.011 1.242 574 2HB LEU 69 2HB LEU 69 -0.878 13.149 0.169 575 HG LEU 69 HG LEU 69 0.966 13.377 -1.599 576 1HD1 LEU 69 1HD1 LEU 69 3.124 13.370 0.240 577 2HD1 LEU 69 2HD1 LEU 69 2.816 14.485 -1.089 578 3HD1 LEU 69 3HD1 LEU 69 2.177 14.831 0.517 579 1HD2 LEU 69 1HD2 LEU 69 2.107 11.681 0.487 580 2HD2 LEU 69 2HD2 LEU 69 0.376 11.441 0.243 581 3HD2 LEU 69 3HD2 LEU 69 1.492 11.258 -1.110 582 H ARG 70 H ARG 70 0.173 15.444 -2.721 583 HA ARG 70 HA ARG 70 2.584 16.890 -2.105 584 1HB ARG 70 1HB ARG 70 1.415 16.016 -4.746 585 2HB ARG 70 2HB ARG 70 2.972 16.814 -4.572 586 1HG ARG 70 1HG ARG 70 3.917 14.975 -3.469 587 2HG ARG 70 2HG ARG 70 2.342 14.251 -3.147 588 1HD ARG 70 1HD ARG 70 3.656 13.156 -4.980 589 2HD ARG 70 2HD ARG 70 2.041 13.688 -5.439 590 HE ARG 70 HE ARG 70 3.775 15.755 -6.068 591 1HH1 ARG 70 1HH1 ARG 70 3.896 12.665 -8.613 592 2HH1 ARG 70 2HH1 ARG 70 3.288 12.430 -7.009 593 1HH2 ARG 70 1HH2 ARG 70 4.628 14.728 -9.277 594 2HH2 ARG 70 2HH2 ARG 70 4.574 16.066 -8.177 595 H MET 71 H MET 71 -0.458 17.823 -2.272 596 HA MET 71 HA MET 71 0.161 20.438 -3.473 597 1HB MET 71 1HB MET 71 -2.247 18.720 -3.556 598 2HB MET 71 2HB MET 71 -2.542 20.443 -3.368 599 1HG MET 71 1HG MET 71 -1.329 20.916 -5.395 600 2HG MET 71 2HG MET 71 -0.883 19.219 -5.559 601 1HE MET 71 1HE MET 71 -2.071 19.695 -8.261 602 2HE MET 71 2HE MET 71 -3.648 20.485 -8.299 603 3HE MET 71 3HE MET 71 -2.274 21.298 -7.552 604 H ASN 72 H ASN 72 -1.053 18.758 -0.673 605 HA ASN 72 HA ASN 72 -1.845 21.218 0.654 606 1HB ASN 72 1HB ASN 72 -1.871 18.336 1.565 607 2HB ASN 72 2HB ASN 72 -2.431 19.688 2.546 608 1HD2 ASN 72 1HD2 ASN 72 -5.556 18.726 1.254 609 2HD2 ASN 72 2HD2 ASN 72 -4.461 18.562 2.580 610 H LEU 73 H LEU 73 1.003 19.459 0.247 611 HA LEU 73 HA LEU 73 2.111 20.384 2.803 612 1HB LEU 73 1HB LEU 73 2.392 17.984 1.412 613 2HB LEU 73 2HB LEU 73 3.915 18.814 1.161 614 HG LEU 73 HG LEU 73 4.141 19.065 3.625 615 1HD1 LEU 73 1HD1 LEU 73 2.594 17.290 4.833 616 2HD1 LEU 73 2HD1 LEU 73 2.099 18.969 4.624 617 3HD1 LEU 73 3HD1 LEU 73 1.495 17.727 3.526 618 1HD2 LEU 73 1HD2 LEU 73 3.939 16.237 3.663 619 2HD2 LEU 73 2HD2 LEU 73 4.437 16.721 2.041 620 3HD2 LEU 73 3HD2 LEU 73 5.377 17.233 3.441 621 H GLY 74 H GLY 74 2.159 20.985 -0.587 622 1HA GLY 74 1HA GLY 74 3.056 22.846 -1.656 623 2HA GLY 74 2HA GLY 74 3.915 23.249 -0.177 624 H GLY 75 H GLY 75 5.731 23.721 -1.576 625 1HA GLY 75 1HA GLY 75 7.174 21.257 -2.338 626 2HA GLY 75 2HA GLY 75 7.227 22.710 -3.326 627 H THR 76 H THR 76 8.333 21.171 -0.412 628 HA THR 76 HA THR 76 9.715 23.337 0.735 629 HB THR 76 HB THR 76 11.169 21.298 1.634 630 HG1 THR 76 HG1 THR 76 10.109 19.895 0.043 631 1HG2 THR 76 1HG2 THR 76 9.497 22.658 2.922 632 2HG2 THR 76 2HG2 THR 76 8.284 21.469 2.445 633 3HG2 THR 76 3HG2 THR 76 9.667 20.975 3.422 634 H GLY 77 H GLY 77 12.018 23.712 0.809 635 1HA GLY 77 1HA GLY 77 14.032 22.588 -0.604 636 2HA GLY 77 2HA GLY 77 13.198 23.542 -1.823 637 H PHE 78 H PHE 78 13.862 24.199 1.605 638 HA PHE 78 HA PHE 78 14.640 26.888 1.023 639 1HB PHE 78 1HB PHE 78 14.973 25.355 3.607 640 2HB PHE 78 2HB PHE 78 15.009 27.103 3.411 641 HD1 PHE 78 HD1 PHE 78 12.861 24.120 3.376 642 HD2 PHE 78 HD2 PHE 78 13.002 28.371 3.247 643 HE1 PHE 78 HE1 PHE 78 10.434 24.209 3.773 644 HE2 PHE 78 HE2 PHE 78 10.575 28.468 3.644 645 HZ PHE 78 HZ PHE 78 9.288 26.384 3.909 646 H GLN 79 H GLN 79 16.550 27.483 0.273 647 HA GLN 79 HA GLN 79 18.911 25.862 0.969 648 1HB GLN 79 1HB GLN 79 17.913 26.738 -1.572 649 2HB GLN 79 2HB GLN 79 19.482 27.479 -1.288 650 1HG GLN 79 1HG GLN 79 20.240 25.574 -2.197 651 2HG GLN 79 2HG GLN 79 20.029 24.954 -0.560 652 1HE2 GLN 79 1HE2 GLN 79 17.730 23.633 -3.619 653 2HE2 GLN 79 2HE2 GLN 79 18.852 24.932 -3.809 Start of MODEL 24 1 1H MET 1 1H MET 1 -15.707 7.985 -0.041 2 2H MET 1 2H MET 1 -16.954 9.024 0.517 3 3H MET 1 3H MET 1 -15.309 9.461 0.735 4 HA MET 1 HA MET 1 -14.972 8.020 2.396 5 1HB MET 1 1HB MET 1 -17.499 9.430 2.387 6 2HB MET 1 2HB MET 1 -17.598 7.995 3.397 7 1HG MET 1 1HG MET 1 -16.945 9.859 4.745 8 2HG MET 1 2HG MET 1 -15.582 8.750 4.604 9 1HE MET 1 1HE MET 1 -13.164 9.646 2.925 10 2HE MET 1 2HE MET 1 -12.877 10.966 4.060 11 3HE MET 1 3HE MET 1 -13.591 9.455 4.625 12 H ASP 2 H ASP 2 -14.501 6.000 1.473 13 HA ASP 2 HA ASP 2 -16.210 3.891 2.269 14 1HB ASP 2 1HB ASP 2 -16.645 2.925 0.020 15 2HB ASP 2 2HB ASP 2 -17.478 4.454 0.278 16 H ARG 3 H ARG 3 -13.587 4.896 0.132 17 HA ARG 3 HA ARG 3 -12.117 2.460 0.892 18 1HB ARG 3 1HB ARG 3 -12.434 3.867 -1.674 19 2HB ARG 3 2HB ARG 3 -10.780 3.407 -1.294 20 1HG ARG 3 1HG ARG 3 -12.656 1.255 -0.790 21 2HG ARG 3 2HG ARG 3 -12.706 1.814 -2.462 22 1HD ARG 3 1HD ARG 3 -10.566 1.152 -2.893 23 2HD ARG 3 2HD ARG 3 -10.041 1.399 -1.229 24 HE ARG 3 HE ARG 3 -11.881 -0.791 -1.589 25 1HH1 ARG 3 1HH1 ARG 3 -7.941 -1.408 -1.217 26 2HH1 ARG 3 2HH1 ARG 3 -8.529 0.184 -1.558 27 1HH2 ARG 3 1HH2 ARG 3 -9.403 -3.150 -0.979 28 2HH2 ARG 3 2HH2 ARG 3 -11.108 -2.885 -1.140 29 H VAL 4 H VAL 4 -11.499 3.657 2.840 30 HA VAL 4 HA VAL 4 -9.108 5.273 2.328 31 HB VAL 4 HB VAL 4 -9.693 6.798 4.190 32 1HG1 VAL 4 1HG1 VAL 4 -10.047 7.596 1.971 33 2HG1 VAL 4 2HG1 VAL 4 -11.565 6.707 1.831 34 3HG1 VAL 4 3HG1 VAL 4 -11.444 8.076 2.936 35 1HG2 VAL 4 1HG2 VAL 4 -11.747 4.916 4.631 36 2HG2 VAL 4 2HG2 VAL 4 -11.397 6.382 5.546 37 3HG2 VAL 4 3HG2 VAL 4 -12.526 6.436 4.193 38 H LEU 5 H LEU 5 -7.431 4.531 3.422 39 HA LEU 5 HA LEU 5 -7.860 2.566 5.510 40 1HB LEU 5 1HB LEU 5 -5.265 2.466 5.340 41 2HB LEU 5 2HB LEU 5 -6.277 1.713 4.140 42 HG LEU 5 HG LEU 5 -5.911 3.589 2.638 43 1HD1 LEU 5 1HD1 LEU 5 -3.713 4.882 3.698 44 2HD1 LEU 5 2HD1 LEU 5 -5.333 5.536 3.465 45 3HD1 LEU 5 3HD1 LEU 5 -4.885 4.813 5.010 46 1HD2 LEU 5 1HD2 LEU 5 -4.296 1.540 3.060 47 2HD2 LEU 5 2HD2 LEU 5 -3.932 2.796 1.877 48 3HD2 LEU 5 3HD2 LEU 5 -3.176 2.840 3.474 49 H SER 6 H SER 6 -7.094 2.635 7.569 50 HA SER 6 HA SER 6 -6.762 5.311 8.663 51 1HB SER 6 1HB SER 6 -7.082 4.210 10.850 52 2HB SER 6 2HB SER 6 -8.384 3.816 9.728 53 HG SER 6 HG SER 6 -6.132 2.186 10.307 54 H ARG 7 H ARG 7 -5.274 5.173 10.800 55 HA ARG 7 HA ARG 7 -2.652 5.274 9.950 56 1HB ARG 7 1HB ARG 7 -2.028 5.214 12.349 57 2HB ARG 7 2HB ARG 7 -3.332 6.339 12.001 58 1HG ARG 7 1HG ARG 7 -4.222 3.657 12.771 59 2HG ARG 7 2HG ARG 7 -3.330 4.527 14.019 60 1HD ARG 7 1HD ARG 7 -5.214 6.281 12.747 61 2HD ARG 7 2HD ARG 7 -6.029 4.822 13.302 62 HE ARG 7 HE ARG 7 -5.447 5.353 15.513 63 1HH1 ARG 7 1HH1 ARG 7 -4.066 8.971 14.481 64 2HH1 ARG 7 2HH1 ARG 7 -4.311 7.772 13.257 65 1HH2 ARG 7 1HH2 ARG 7 -4.521 8.495 16.667 66 2HH2 ARG 7 2HH2 ARG 7 -5.118 6.931 17.114 67 H ALA 8 H ALA 8 -4.418 2.540 11.290 68 HA ALA 8 HA ALA 8 -2.191 0.833 11.643 69 1HB ALA 8 1HB ALA 8 -5.119 0.559 11.677 70 2HB ALA 8 2HB ALA 8 -4.227 -0.906 11.265 71 3HB ALA 8 3HB ALA 8 -3.903 -0.073 12.787 72 H ASP 9 H ASP 9 -4.549 1.137 8.995 73 HA ASP 9 HA ASP 9 -3.379 -0.889 7.394 74 1HB ASP 9 1HB ASP 9 -5.119 1.415 6.517 75 2HB ASP 9 2HB ASP 9 -4.844 -0.077 5.633 76 H LYS 10 H LYS 10 -3.224 2.689 7.148 77 HA LYS 10 HA LYS 10 -1.471 2.776 4.976 78 1HB LYS 10 1HB LYS 10 -0.893 5.051 5.715 79 2HB LYS 10 2HB LYS 10 -2.627 4.773 5.764 80 1HG LYS 10 1HG LYS 10 -2.737 5.018 7.993 81 2HG LYS 10 2HG LYS 10 -1.185 4.231 8.263 82 1HD LYS 10 1HD LYS 10 -0.226 6.216 8.538 83 2HD LYS 10 2HD LYS 10 -0.691 6.668 6.898 84 1HE LYS 10 1HE LYS 10 -2.224 8.091 7.657 85 2HE LYS 10 2HE LYS 10 -2.956 6.845 8.666 86 1HZ LYS 10 1HZ LYS 10 -2.261 8.515 10.129 87 2HZ LYS 10 2HZ LYS 10 -1.080 7.313 10.272 88 3HZ LYS 10 3HZ LYS 10 -0.763 8.703 9.366 89 H GLU 11 H GLU 11 -0.878 2.302 8.394 90 HA GLU 11 HA GLU 11 1.954 2.564 8.280 91 1HB GLU 11 1HB GLU 11 0.008 1.419 10.250 92 2HB GLU 11 2HB GLU 11 1.720 1.072 10.436 93 1HG GLU 11 1HG GLU 11 1.247 3.890 9.992 94 2HG GLU 11 2HG GLU 11 0.352 3.286 11.385 95 H ARG 12 H ARG 12 -0.330 -0.020 7.754 96 HA ARG 12 HA ARG 12 1.464 -2.196 7.773 97 1HB ARG 12 1HB ARG 12 -0.988 -2.448 7.888 98 2HB ARG 12 2HB ARG 12 -1.122 -1.859 6.238 99 1HG ARG 12 1HG ARG 12 0.242 -3.800 5.501 100 2HG ARG 12 2HG ARG 12 0.164 -4.416 7.154 101 1HD ARG 12 1HD ARG 12 -2.160 -4.727 7.039 102 2HD ARG 12 2HD ARG 12 -2.309 -3.721 5.603 103 HE ARG 12 HE ARG 12 -1.176 -5.514 4.372 104 1HH1 ARG 12 1HH1 ARG 12 -2.794 -7.998 7.069 105 2HH1 ARG 12 2HH1 ARG 12 -2.617 -6.321 7.459 106 1HH2 ARG 12 1HH2 ARG 12 -2.114 -8.788 5.041 107 2HH2 ARG 12 2HH2 ARG 12 -1.415 -7.715 3.874 108 H LEU 13 H LEU 13 0.515 0.137 5.342 109 HA LEU 13 HA LEU 13 1.661 -1.118 3.089 110 1HB LEU 13 1HB LEU 13 0.071 0.652 2.806 111 2HB LEU 13 2HB LEU 13 1.049 1.759 3.745 112 HG LEU 13 HG LEU 13 2.783 1.235 1.761 113 1HD1 LEU 13 1HD1 LEU 13 1.844 0.751 -0.261 114 2HD1 LEU 13 2HD1 LEU 13 0.790 -0.196 0.790 115 3HD1 LEU 13 3HD1 LEU 13 0.261 1.380 0.200 116 1HD2 LEU 13 1HD2 LEU 13 0.635 3.223 1.204 117 2HD2 LEU 13 2HD2 LEU 13 1.607 3.392 2.670 118 3HD2 LEU 13 3HD2 LEU 13 2.388 3.391 1.088 119 H LEU 14 H LEU 14 2.886 1.016 5.578 120 HA LEU 14 HA LEU 14 5.391 1.585 4.397 121 1HB LEU 14 1HB LEU 14 4.210 1.787 7.122 122 2HB LEU 14 2HB LEU 14 5.954 1.908 6.970 123 HG LEU 14 HG LEU 14 3.891 3.713 5.713 124 1HD1 LEU 14 1HD1 LEU 14 6.113 4.488 7.565 125 2HD1 LEU 14 2HD1 LEU 14 4.630 5.361 7.180 126 3HD1 LEU 14 3HD1 LEU 14 4.566 3.913 8.182 127 1HD2 LEU 14 1HD2 LEU 14 6.577 3.104 4.865 128 2HD2 LEU 14 2HD2 LEU 14 5.369 4.143 4.111 129 3HD2 LEU 14 3HD2 LEU 14 6.440 4.794 5.352 130 H GLU 15 H GLU 15 4.232 -1.018 6.457 131 HA GLU 15 HA GLU 15 6.676 -2.132 7.215 132 1HB GLU 15 1HB GLU 15 3.985 -2.781 7.523 133 2HB GLU 15 2HB GLU 15 4.662 -4.152 6.656 134 1HG GLU 15 1HG GLU 15 6.534 -3.741 8.591 135 2HG GLU 15 2HG GLU 15 5.044 -3.297 9.423 136 H LEU 16 H LEU 16 4.617 -2.943 4.427 137 HA LEU 16 HA LEU 16 6.514 -4.766 3.315 138 1HB LEU 16 1HB LEU 16 4.023 -3.465 2.244 139 2HB LEU 16 2HB LEU 16 5.015 -4.526 1.262 140 HG LEU 16 HG LEU 16 3.186 -5.803 2.117 141 1HD1 LEU 16 1HD1 LEU 16 5.283 -6.703 4.002 142 2HD1 LEU 16 2HD1 LEU 16 4.365 -7.613 2.802 143 3HD1 LEU 16 3HD1 LEU 16 5.718 -6.603 2.297 144 1HD2 LEU 16 1HD2 LEU 16 2.415 -5.802 4.278 145 2HD2 LEU 16 2HD2 LEU 16 3.974 -5.330 4.952 146 3HD2 LEU 16 3HD2 LEU 16 2.972 -4.135 4.128 147 H LEU 17 H LEU 17 6.337 -1.397 3.400 148 HA LEU 17 HA LEU 17 7.681 -0.979 0.863 149 1HB LEU 17 1HB LEU 17 6.382 0.726 2.893 150 2HB LEU 17 2HB LEU 17 7.712 1.448 2.014 151 HG LEU 17 HG LEU 17 5.335 1.820 1.134 152 1HD1 LEU 17 1HD1 LEU 17 6.133 1.669 -1.215 153 2HD1 LEU 17 2HD1 LEU 17 7.250 2.485 -0.123 154 3HD1 LEU 17 3HD1 LEU 17 7.562 0.824 -0.626 155 1HD2 LEU 17 1HD2 LEU 17 4.105 0.107 0.445 156 2HD2 LEU 17 2HD2 LEU 17 5.414 -0.486 -0.577 157 3HD2 LEU 17 3HD2 LEU 17 5.320 -0.982 1.111 158 H LYS 18 H LYS 18 8.636 -1.727 4.006 159 HA LYS 18 HA LYS 18 10.638 -1.613 5.106 160 1HB LYS 18 1HB LYS 18 11.239 -1.991 2.284 161 2HB LYS 18 2HB LYS 18 12.530 -1.152 3.127 162 1HG LYS 18 1HG LYS 18 13.143 -3.363 3.354 163 2HG LYS 18 2HG LYS 18 12.295 -3.055 4.871 164 1HD LYS 18 1HD LYS 18 10.209 -3.893 3.551 165 2HD LYS 18 2HD LYS 18 11.410 -4.622 2.484 166 1HE LYS 18 1HE LYS 18 11.559 -6.332 3.893 167 2HE LYS 18 2HE LYS 18 12.223 -5.233 5.101 168 1HZ LYS 18 1HZ LYS 18 9.666 -6.491 5.016 169 2HZ LYS 18 2HZ LYS 18 10.431 -5.701 6.300 170 3HZ LYS 18 3HZ LYS 18 9.517 -4.814 5.186 171 H LEU 19 H LEU 19 9.132 0.850 4.243 172 HA LEU 19 HA LEU 19 11.255 2.856 4.472 173 1HB LEU 19 1HB LEU 19 9.829 2.914 2.443 174 2HB LEU 19 2HB LEU 19 8.421 3.123 3.462 175 HG LEU 19 HG LEU 19 10.453 5.146 3.970 176 1HD1 LEU 19 1HD1 LEU 19 10.096 4.424 1.255 177 2HD1 LEU 19 2HD1 LEU 19 9.258 5.954 1.512 178 3HD1 LEU 19 3HD1 LEU 19 10.967 5.807 1.915 179 1HD2 LEU 19 1HD2 LEU 19 8.419 5.706 4.835 180 2HD2 LEU 19 2HD2 LEU 19 8.284 6.496 3.264 181 3HD2 LEU 19 3HD2 LEU 19 7.527 4.928 3.529 182 HA PRO 20 HA PRO 20 9.841 3.031 8.767 183 1HB PRO 20 1HB PRO 20 11.330 5.606 8.499 184 2HB PRO 20 2HB PRO 20 11.403 4.391 9.781 185 1HG PRO 20 1HG PRO 20 13.320 4.554 7.933 186 2HG PRO 20 2HG PRO 20 12.772 2.985 8.555 187 1HD PRO 20 1HD PRO 20 12.259 4.268 5.927 188 2HD PRO 20 2HD PRO 20 12.364 2.547 6.345 189 H ARG 21 H ARG 21 8.710 4.613 10.116 190 HA ARG 21 HA ARG 21 6.703 6.039 8.568 191 1HB ARG 21 1HB ARG 21 6.802 5.672 11.561 192 2HB ARG 21 2HB ARG 21 5.408 6.107 10.581 193 1HG ARG 21 1HG ARG 21 4.883 3.947 10.682 194 2HG ARG 21 2HG ARG 21 6.161 3.716 9.487 195 1HD ARG 21 1HD ARG 21 7.199 2.397 10.944 196 2HD ARG 21 2HD ARG 21 7.453 3.808 11.969 197 HE ARG 21 HE ARG 21 4.876 2.813 12.437 198 1HH1 ARG 21 1HH1 ARG 21 7.870 0.957 14.347 199 2HH1 ARG 21 2HH1 ARG 21 8.209 1.906 12.940 200 1HH2 ARG 21 1HH2 ARG 21 5.724 0.762 15.113 201 2HH2 ARG 21 2HH2 ARG 21 4.428 1.563 14.290 202 H GLN 22 H GLN 22 9.636 6.775 9.903 203 HA GLN 22 HA GLN 22 9.020 9.337 11.039 204 1HB GLN 22 1HB GLN 22 10.979 7.801 11.629 205 2HB GLN 22 2HB GLN 22 11.736 8.390 10.157 206 1HG GLN 22 1HG GLN 22 10.957 10.700 11.440 207 2HG GLN 22 2HG GLN 22 11.480 9.652 12.757 208 1HE2 GLN 22 1HE2 GLN 22 14.143 11.250 10.160 209 2HE2 GLN 22 2HE2 GLN 22 12.438 11.423 9.947 210 H LEU 23 H LEU 23 9.778 8.124 7.903 211 HA LEU 23 HA LEU 23 10.068 10.871 6.910 212 1HB LEU 23 1HB LEU 23 11.353 10.077 5.084 213 2HB LEU 23 2HB LEU 23 12.012 9.358 6.534 214 HG LEU 23 HG LEU 23 12.061 7.721 4.794 215 1HD1 LEU 23 1HD1 LEU 23 10.909 5.901 5.762 216 2HD1 LEU 23 2HD1 LEU 23 11.335 6.985 7.091 217 3HD1 LEU 23 3HD1 LEU 23 9.689 6.963 6.464 218 1HD2 LEU 23 1HD2 LEU 23 10.362 7.194 3.358 219 2HD2 LEU 23 2HD2 LEU 23 9.111 7.773 4.454 220 3HD2 LEU 23 3HD2 LEU 23 10.114 8.925 3.572 221 H TRP 24 H TRP 24 7.686 8.923 7.410 222 HA TRP 24 HA TRP 24 6.395 8.243 5.076 223 1HB TRP 24 1HB TRP 24 5.502 7.558 7.180 224 2HB TRP 24 2HB TRP 24 5.327 9.220 7.724 225 HD1 TRP 24 HD1 TRP 24 3.102 10.464 7.126 226 HE1 TRP 24 HE1 TRP 24 0.890 9.718 6.039 227 HE3 TRP 24 HE3 TRP 24 4.588 5.937 5.285 228 HZ2 TRP 24 HZ2 TRP 24 -0.093 7.497 4.598 229 HZ3 TRP 24 HZ3 TRP 24 2.952 4.559 4.064 230 HH2 TRP 24 HH2 TRP 24 0.660 5.328 3.727 231 H GLY 25 H GLY 25 5.896 9.425 3.345 232 1HA GLY 25 1HA GLY 25 4.211 11.301 2.827 233 2HA GLY 25 2HA GLY 25 5.356 12.296 3.710 234 H ASP 26 H ASP 26 7.653 10.764 2.580 235 HA ASP 26 HA ASP 26 8.043 12.395 0.271 236 1HB ASP 26 1HB ASP 26 9.782 11.481 1.991 237 2HB ASP 26 2HB ASP 26 9.807 10.066 0.944 238 H PHE 27 H PHE 27 6.406 11.782 -1.176 239 HA PHE 27 HA PHE 27 5.646 9.323 -2.056 240 1HB PHE 27 1HB PHE 27 4.628 11.419 -2.815 241 2HB PHE 27 2HB PHE 27 6.056 11.768 -3.781 242 HD1 PHE 27 HD1 PHE 27 5.169 11.812 -5.942 243 HD2 PHE 27 HD2 PHE 27 4.354 8.498 -3.398 244 HE1 PHE 27 HE1 PHE 27 4.179 10.601 -7.842 245 HE2 PHE 27 HE2 PHE 27 3.363 7.283 -5.294 246 HZ PHE 27 HZ PHE 27 3.275 8.334 -7.518 247 H GLY 28 H GLY 28 8.486 11.134 -3.152 248 1HA GLY 28 1HA GLY 28 9.243 9.385 -5.220 249 2HA GLY 28 2HA GLY 28 10.309 10.504 -4.388 250 H ARG 29 H ARG 29 10.024 9.332 -1.768 251 HA ARG 29 HA ARG 29 11.911 7.178 -2.114 252 1HB ARG 29 1HB ARG 29 11.109 8.973 0.034 253 2HB ARG 29 2HB ARG 29 11.342 7.324 0.595 254 1HG ARG 29 1HG ARG 29 13.423 8.528 -1.150 255 2HG ARG 29 2HG ARG 29 13.323 9.050 0.532 256 1HD ARG 29 1HD ARG 29 13.265 6.506 1.046 257 2HD ARG 29 2HD ARG 29 13.929 6.339 -0.578 258 HE ARG 29 HE ARG 29 15.939 7.011 0.250 259 1HH1 ARG 29 1HH1 ARG 29 14.561 8.814 3.550 260 2HH1 ARG 29 2HH1 ARG 29 13.443 8.165 2.399 261 1HH2 ARG 29 1HH2 ARG 29 16.813 8.643 3.191 262 2HH2 ARG 29 2HH2 ARG 29 17.409 7.863 1.764 263 H MET 30 H MET 30 8.576 7.508 -0.970 264 HA MET 30 HA MET 30 8.353 4.824 -0.064 265 1HB MET 30 1HB MET 30 5.900 5.245 -0.104 266 2HB MET 30 2HB MET 30 6.812 6.458 0.782 267 1HG MET 30 1HG MET 30 6.649 7.984 -1.084 268 2HG MET 30 2HG MET 30 5.818 6.762 -2.040 269 1HE MET 30 1HE MET 30 5.874 7.954 1.458 270 2HE MET 30 2HE MET 30 4.449 8.977 1.624 271 3HE MET 30 3HE MET 30 4.333 7.247 1.945 272 H GLN 31 H GLN 31 7.408 6.434 -3.097 273 HA GLN 31 HA GLN 31 6.280 4.152 -4.301 274 1HB GLN 31 1HB GLN 31 6.061 6.565 -5.076 275 2HB GLN 31 2HB GLN 31 7.661 6.386 -5.787 276 1HG GLN 31 1HG GLN 31 6.871 4.627 -7.231 277 2HG GLN 31 2HG GLN 31 5.290 4.658 -6.457 278 1HE2 GLN 31 1HE2 GLN 31 4.239 6.707 -9.050 279 2HE2 GLN 31 2HE2 GLN 31 4.105 5.196 -8.224 280 H GLN 32 H GLN 32 9.566 5.415 -4.195 281 HA GLN 32 HA GLN 32 10.732 3.689 -6.074 282 1HB GLN 32 1HB GLN 32 11.711 5.346 -3.811 283 2HB GLN 32 2HB GLN 32 12.779 4.069 -4.377 284 1HG GLN 32 1HG GLN 32 12.453 5.031 -6.700 285 2HG GLN 32 2HG GLN 32 11.725 6.425 -5.903 286 1HE2 GLN 32 1HE2 GLN 32 15.407 6.889 -6.500 287 2HE2 GLN 32 2HE2 GLN 32 14.108 6.357 -7.508 288 H ALA 33 H ALA 33 10.078 3.345 -2.632 289 HA ALA 33 HA ALA 33 11.370 0.811 -2.361 290 1HB ALA 33 1HB ALA 33 9.643 0.886 -0.273 291 2HB ALA 33 2HB ALA 33 11.226 1.663 -0.280 292 3HB ALA 33 3HB ALA 33 9.782 2.603 -0.655 293 H TYR 34 H TYR 34 8.051 1.897 -2.905 294 HA TYR 34 HA TYR 34 6.691 -0.493 -2.616 295 1HB TYR 34 1HB TYR 34 5.552 1.655 -2.972 296 2HB TYR 34 2HB TYR 34 6.148 1.706 -4.628 297 HD1 TYR 34 HD1 TYR 34 5.455 -0.200 -6.174 298 HD2 TYR 34 HD2 TYR 34 3.485 0.635 -2.495 299 HE1 TYR 34 HE1 TYR 34 3.500 -1.475 -6.947 300 HE2 TYR 34 HE2 TYR 34 1.532 -0.656 -3.256 301 HH TYR 34 HH TYR 34 1.553 -2.451 -6.279 302 H LYS 35 H LYS 35 8.095 0.834 -5.620 303 HA LYS 35 HA LYS 35 7.532 -1.462 -7.180 304 1HB LYS 35 1HB LYS 35 9.583 0.719 -7.604 305 2HB LYS 35 2HB LYS 35 9.125 -0.477 -8.808 306 1HG LYS 35 1HG LYS 35 7.052 1.289 -7.574 307 2HG LYS 35 2HG LYS 35 8.072 1.879 -8.889 308 1HD LYS 35 1HD LYS 35 6.365 1.028 -10.132 309 2HD LYS 35 2HD LYS 35 7.332 -0.439 -9.970 310 1HE LYS 35 1HE LYS 35 5.894 -0.712 -7.774 311 2HE LYS 35 2HE LYS 35 4.766 0.307 -8.662 312 1HZ LYS 35 1HZ LYS 35 4.331 -2.047 -9.011 313 2HZ LYS 35 2HZ LYS 35 4.782 -1.299 -10.460 314 3HZ LYS 35 3HZ LYS 35 5.892 -2.267 -9.626 315 H GLN 36 H GLN 36 10.135 -0.613 -5.041 316 HA GLN 36 HA GLN 36 11.999 -2.549 -6.005 317 1HB GLN 36 1HB GLN 36 12.098 -0.413 -4.242 318 2HB GLN 36 2HB GLN 36 12.306 -1.811 -3.198 319 1HG GLN 36 1HG GLN 36 13.938 -2.121 -5.519 320 2HG GLN 36 2HG GLN 36 14.223 -0.533 -4.811 321 1HE2 GLN 36 1HE2 GLN 36 15.845 -3.767 -3.177 322 2HE2 GLN 36 2HE2 GLN 36 15.096 -3.719 -4.733 323 H GLN 37 H GLN 37 9.497 -2.509 -3.540 324 HA GLN 37 HA GLN 37 10.197 -5.178 -2.618 325 1HB GLN 37 1HB GLN 37 8.335 -3.027 -1.732 326 2HB GLN 37 2HB GLN 37 7.923 -4.683 -1.307 327 1HG GLN 37 1HG GLN 37 10.691 -3.789 -0.761 328 2HG GLN 37 2HG GLN 37 9.405 -3.129 0.248 329 1HE2 GLN 37 1HE2 GLN 37 10.884 -6.644 1.142 330 2HE2 GLN 37 2HE2 GLN 37 11.653 -5.409 0.212 331 H SER 38 H SER 38 8.030 -3.661 -4.833 332 HA SER 38 HA SER 38 6.032 -5.663 -4.924 333 1HB SER 38 1HB SER 38 6.908 -3.581 -6.932 334 2HB SER 38 2HB SER 38 5.535 -4.656 -7.197 335 HG SER 38 HG SER 38 5.786 -2.996 -4.916 336 H LEU 39 H LEU 39 9.179 -5.337 -6.385 337 HA LEU 39 HA LEU 39 8.834 -7.318 -8.391 338 1HB LEU 39 1HB LEU 39 11.162 -5.887 -7.197 339 2HB LEU 39 2HB LEU 39 11.462 -7.323 -8.157 340 HG LEU 39 HG LEU 39 9.954 -4.902 -9.145 341 1HD1 LEU 39 1HD1 LEU 39 11.866 -4.012 -9.953 342 2HD1 LEU 39 2HD1 LEU 39 12.579 -4.890 -8.599 343 3HD1 LEU 39 3HD1 LEU 39 12.616 -5.585 -10.220 344 1HD2 LEU 39 1HD2 LEU 39 11.139 -7.157 -10.744 345 2HD2 LEU 39 2HD2 LEU 39 9.467 -7.159 -10.184 346 3HD2 LEU 39 3HD2 LEU 39 10.027 -5.900 -11.285 347 H LEU 40 H LEU 40 10.326 -7.391 -5.149 348 HA LEU 40 HA LEU 40 10.976 -10.157 -5.337 349 1HB LEU 40 1HB LEU 40 11.503 -10.016 -2.954 350 2HB LEU 40 2HB LEU 40 12.239 -8.718 -3.870 351 HG LEU 40 HG LEU 40 9.959 -7.504 -3.039 352 1HD1 LEU 40 1HD1 LEU 40 10.104 -8.145 -0.481 353 2HD1 LEU 40 2HD1 LEU 40 9.029 -9.001 -1.586 354 3HD1 LEU 40 3HD1 LEU 40 10.582 -9.708 -1.144 355 1HD2 LEU 40 1HD2 LEU 40 12.395 -6.812 -2.892 356 2HD2 LEU 40 2HD2 LEU 40 11.348 -6.276 -1.579 357 3HD2 LEU 40 3HD2 LEU 40 12.434 -7.643 -1.338 358 H LEU 41 H LEU 41 8.066 -8.512 -4.744 359 HA LEU 41 HA LEU 41 6.878 -10.786 -3.339 360 1HB LEU 41 1HB LEU 41 6.012 -7.969 -3.859 361 2HB LEU 41 2HB LEU 41 4.804 -9.188 -3.496 362 HG LEU 41 HG LEU 41 7.157 -8.709 -1.685 363 1HD1 LEU 41 1HD1 LEU 41 6.217 -6.599 -1.625 364 2HD1 LEU 41 2HD1 LEU 41 4.581 -7.208 -1.880 365 3HD1 LEU 41 3HD1 LEU 41 5.372 -7.430 -0.319 366 1HD2 LEU 41 1HD2 LEU 41 4.529 -10.128 -1.477 367 2HD2 LEU 41 2HD2 LEU 41 6.150 -10.732 -1.133 368 3HD2 LEU 41 3HD2 LEU 41 5.386 -9.580 -0.036 369 H HIS 42 H HIS 42 7.401 -9.729 -6.466 370 HA HIS 42 HA HIS 42 5.022 -10.341 -7.808 371 1HB HIS 42 1HB HIS 42 7.290 -9.241 -8.597 372 2HB HIS 42 2HB HIS 42 7.689 -10.891 -9.059 373 HD1 HIS 42 HD1 HIS 42 4.416 -8.987 -9.496 374 HD2 HIS 42 HD2 HIS 42 7.338 -10.910 -11.735 375 HE1 HIS 42 HE1 HIS 42 3.587 -8.938 -11.870 376 HE2 HIS 42 HE2 HIS 42 5.330 -10.185 -13.191 377 HA PRO 43 HA PRO 43 4.792 -14.748 -7.436 378 1HB PRO 43 1HB PRO 43 3.384 -15.329 -9.705 379 2HB PRO 43 2HB PRO 43 2.657 -14.670 -8.236 380 1HG PRO 43 1HG PRO 43 3.465 -13.265 -10.748 381 2HG PRO 43 2HG PRO 43 2.020 -13.032 -9.747 382 1HD PRO 43 1HD PRO 43 4.144 -11.369 -9.640 383 2HD PRO 43 2HD PRO 43 3.140 -11.711 -8.220 384 H ASP 44 H ASP 44 6.456 -13.209 -9.999 385 HA ASP 44 HA ASP 44 7.271 -15.666 -11.293 386 1HB ASP 44 1HB ASP 44 7.491 -12.807 -11.848 387 2HB ASP 44 2HB ASP 44 8.971 -13.686 -12.214 388 H LYS 45 H LYS 45 8.345 -13.690 -8.696 389 HA LYS 45 HA LYS 45 10.974 -15.007 -8.703 390 1HB LYS 45 1HB LYS 45 10.148 -12.637 -7.026 391 2HB LYS 45 2HB LYS 45 11.776 -13.233 -7.314 392 1HG LYS 45 1HG LYS 45 10.137 -12.326 -9.629 393 2HG LYS 45 2HG LYS 45 10.882 -11.126 -8.568 394 1HD LYS 45 1HD LYS 45 13.031 -11.775 -9.129 395 2HD LYS 45 2HD LYS 45 12.521 -13.385 -9.641 396 1HE LYS 45 1HE LYS 45 11.198 -12.020 -11.462 397 2HE LYS 45 2HE LYS 45 12.417 -10.795 -11.111 398 1HZ LYS 45 1HZ LYS 45 13.235 -13.567 -11.676 399 2HZ LYS 45 2HZ LYS 45 12.858 -12.524 -12.952 400 3HZ LYS 45 3HZ LYS 45 14.109 -12.134 -11.882 401 H GLY 46 H GLY 46 8.420 -16.210 -7.835 402 1HA GLY 46 1HA GLY 46 7.879 -17.744 -6.196 403 2HA GLY 46 2HA GLY 46 9.364 -17.316 -5.361 404 H GLY 47 H GLY 47 7.159 -14.788 -6.220 405 1HA GLY 47 1HA GLY 47 6.687 -14.287 -3.385 406 2HA GLY 47 2HA GLY 47 6.349 -13.180 -4.707 407 H SER 48 H SER 48 4.597 -13.824 -2.533 408 HA SER 48 HA SER 48 2.575 -15.607 -3.568 409 1HB SER 48 1HB SER 48 3.147 -14.287 -1.036 410 2HB SER 48 2HB SER 48 1.436 -14.187 -1.460 411 HG SER 48 HG SER 48 2.897 -16.610 -1.571 412 H HIS 49 H HIS 49 0.436 -14.996 -4.112 413 HA HIS 49 HA HIS 49 0.301 -12.541 -5.604 414 1HB HIS 49 1HB HIS 49 -0.806 -14.959 -6.001 415 2HB HIS 49 2HB HIS 49 -2.147 -14.167 -5.180 416 HD1 HIS 49 HD1 HIS 49 -3.670 -12.888 -6.653 417 HD2 HIS 49 HD2 HIS 49 0.089 -13.370 -8.356 418 HE1 HIS 49 HE1 HIS 49 -3.846 -11.902 -8.960 419 HE2 HIS 49 HE2 HIS 49 -1.541 -12.143 -9.947 420 H ALA 50 H ALA 50 -1.524 -13.926 -2.885 421 HA ALA 50 HA ALA 50 -3.273 -11.879 -2.361 422 1HB ALA 50 1HB ALA 50 -2.707 -12.708 0.154 423 2HB ALA 50 2HB ALA 50 -3.763 -13.568 -0.967 424 3HB ALA 50 3HB ALA 50 -2.076 -14.053 -0.796 425 H LEU 51 H LEU 51 0.150 -12.005 -1.664 426 HA LEU 51 HA LEU 51 0.159 -9.799 0.153 427 1HB LEU 51 1HB LEU 51 2.191 -11.479 -1.203 428 2HB LEU 51 2HB LEU 51 2.707 -9.884 -0.692 429 HG LEU 51 HG LEU 51 1.434 -10.837 1.554 430 1HD1 LEU 51 1HD1 LEU 51 3.153 -13.112 0.673 431 2HD1 LEU 51 2HD1 LEU 51 1.911 -13.060 1.924 432 3HD1 LEU 51 3HD1 LEU 51 1.448 -13.071 0.222 433 1HD2 LEU 51 1HD2 LEU 51 3.681 -9.659 1.194 434 2HD2 LEU 51 2HD2 LEU 51 3.551 -10.790 2.541 435 3HD2 LEU 51 3HD2 LEU 51 4.358 -11.282 1.050 436 H MET 52 H MET 52 1.176 -10.149 -3.247 437 HA MET 52 HA MET 52 1.880 -7.477 -3.660 438 1HB MET 52 1HB MET 52 1.924 -9.770 -5.168 439 2HB MET 52 2HB MET 52 0.710 -8.806 -5.998 440 1HG MET 52 1HG MET 52 3.530 -7.960 -5.380 441 2HG MET 52 2HG MET 52 2.911 -8.459 -6.953 442 1HE MET 52 1HE MET 52 3.194 -4.405 -5.297 443 2HE MET 52 2HE MET 52 2.264 -5.383 -4.162 444 3HE MET 52 3HE MET 52 3.848 -5.932 -4.708 445 H GLN 53 H GLN 53 -1.252 -9.076 -3.871 446 HA GLN 53 HA GLN 53 -2.563 -6.811 -5.045 447 1HB GLN 53 1HB GLN 53 -4.646 -8.060 -4.594 448 2HB GLN 53 2HB GLN 53 -3.448 -9.030 -5.442 449 1HG GLN 53 1HG GLN 53 -3.090 -10.406 -3.655 450 2HG GLN 53 2HG GLN 53 -3.563 -9.183 -2.477 451 1HE2 GLN 53 1HE2 GLN 53 -6.178 -11.923 -3.690 452 2HE2 GLN 53 2HE2 GLN 53 -4.481 -11.972 -4.015 453 H GLU 54 H GLU 54 -1.897 -7.907 -1.809 454 HA GLU 54 HA GLU 54 -3.843 -6.329 -0.475 455 1HB GLU 54 1HB GLU 54 -1.920 -8.232 0.261 456 2HB GLU 54 2HB GLU 54 -1.460 -6.764 1.109 457 1HG GLU 54 1HG GLU 54 -2.986 -7.218 2.638 458 2HG GLU 54 2HG GLU 54 -4.235 -6.991 1.416 459 H LEU 55 H LEU 55 -0.407 -5.824 -1.209 460 HA LEU 55 HA LEU 55 -0.271 -3.262 0.016 461 1HB LEU 55 1HB LEU 55 1.723 -4.557 -0.240 462 2HB LEU 55 2HB LEU 55 1.485 -4.684 -1.971 463 HG LEU 55 HG LEU 55 1.677 -2.027 -1.802 464 1HD1 LEU 55 1HD1 LEU 55 2.250 -2.778 0.813 465 2HD1 LEU 55 2HD1 LEU 55 3.824 -2.452 0.085 466 3HD1 LEU 55 3HD1 LEU 55 2.568 -1.213 0.065 467 1HD2 LEU 55 1HD2 LEU 55 3.773 -2.263 -2.734 468 2HD2 LEU 55 2HD2 LEU 55 4.213 -3.595 -1.663 469 3HD2 LEU 55 3HD2 LEU 55 3.080 -3.866 -2.987 470 H ASN 56 H ASN 56 -1.011 -4.417 -3.212 471 HA ASN 56 HA ASN 56 -0.786 -2.004 -4.617 472 1HB ASN 56 1HB ASN 56 -1.696 -4.637 -5.153 473 2HB ASN 56 2HB ASN 56 -2.977 -3.537 -5.655 474 1HD2 ASN 56 1HD2 ASN 56 -0.070 -4.156 -8.145 475 2HD2 ASN 56 2HD2 ASN 56 -0.677 -5.223 -6.930 476 H SER 57 H SER 57 -3.304 -3.263 -2.550 477 HA SER 57 HA SER 57 -5.256 -1.293 -3.300 478 1HB SER 57 1HB SER 57 -6.157 -2.251 -0.918 479 2HB SER 57 2HB SER 57 -6.434 -3.047 -2.467 480 HG SER 57 HG SER 57 -4.291 -3.582 -0.682 481 H LEU 58 H LEU 58 -3.016 -1.759 -0.596 482 HA LEU 58 HA LEU 58 -3.881 0.511 0.874 483 1HB LEU 58 1HB LEU 58 -1.391 -1.170 0.936 484 2HB LEU 58 2HB LEU 58 -1.557 0.250 1.948 485 HG LEU 58 HG LEU 58 -3.789 -1.671 2.107 486 1HD1 LEU 58 1HD1 LEU 58 -1.526 -2.966 1.939 487 2HD1 LEU 58 2HD1 LEU 58 -1.311 -2.398 3.595 488 3HD1 LEU 58 3HD1 LEU 58 -2.707 -3.391 3.178 489 1HD2 LEU 58 1HD2 LEU 58 -2.773 -1.107 4.627 490 2HD2 LEU 58 2HD2 LEU 58 -2.498 0.373 3.709 491 3HD2 LEU 58 3HD2 LEU 58 -4.124 -0.298 3.834 492 H TRP 59 H TRP 59 -1.640 0.044 -1.750 493 HA TRP 59 HA TRP 59 -0.524 2.712 -1.470 494 1HB TRP 59 1HB TRP 59 1.018 0.963 -2.082 495 2HB TRP 59 2HB TRP 59 -0.014 0.456 -3.411 496 HD1 TRP 59 HD1 TRP 59 0.574 1.395 -5.710 497 HE1 TRP 59 HE1 TRP 59 2.112 3.253 -6.600 498 HE3 TRP 59 HE3 TRP 59 1.994 3.497 -1.260 499 HZ2 TRP 59 HZ2 TRP 59 3.715 5.323 -5.564 500 HZ3 TRP 59 HZ3 TRP 59 3.541 5.402 -1.309 501 HH2 TRP 59 HH2 TRP 59 4.383 6.299 -3.414 502 H GLY 60 H GLY 60 -3.046 1.064 -3.121 503 1HA GLY 60 1HA GLY 60 -3.277 2.857 -5.343 504 2HA GLY 60 2HA GLY 60 -4.474 1.683 -4.827 505 H THR 61 H THR 61 -5.451 2.345 -2.539 506 HA THR 61 HA THR 61 -7.010 4.633 -2.930 507 HB THR 61 HB THR 61 -7.041 2.605 -1.118 508 HG1 THR 61 HG1 THR 61 -8.909 3.485 -0.649 509 1HG2 THR 61 1HG2 THR 61 -6.957 3.584 1.123 510 2HG2 THR 61 2HG2 THR 61 -5.377 3.399 0.367 511 3HG2 THR 61 3HG2 THR 61 -6.140 4.988 0.444 512 H PHE 62 H PHE 62 -4.203 4.040 -0.951 513 HA PHE 62 HA PHE 62 -3.649 6.445 0.227 514 1HB PHE 62 1HB PHE 62 -2.296 4.450 0.556 515 2HB PHE 62 2HB PHE 62 -1.778 4.490 -1.127 516 HD1 PHE 62 HD1 PHE 62 0.549 4.381 -0.473 517 HD2 PHE 62 HD2 PHE 62 -1.964 7.582 0.806 518 HE1 PHE 62 HE1 PHE 62 2.529 5.681 0.188 519 HE2 PHE 62 HE2 PHE 62 0.020 8.882 1.458 520 HZ PHE 62 HZ PHE 62 2.268 7.927 1.144 521 H LYS 63 H LYS 63 -2.673 5.360 -2.970 522 HA LYS 63 HA LYS 63 -1.367 7.625 -3.883 523 1HB LYS 63 1HB LYS 63 -2.190 5.134 -4.882 524 2HB LYS 63 2HB LYS 63 -2.862 6.313 -5.977 525 1HG LYS 63 1HG LYS 63 -0.643 7.256 -6.346 526 2HG LYS 63 2HG LYS 63 0.038 6.092 -5.209 527 1HD LYS 63 1HD LYS 63 -1.161 5.592 -7.919 528 2HD LYS 63 2HD LYS 63 0.451 5.176 -7.335 529 1HE LYS 63 1HE LYS 63 -0.615 3.570 -5.745 530 2HE LYS 63 2HE LYS 63 -2.164 3.922 -6.506 531 1HZ LYS 63 1HZ LYS 63 -1.481 2.963 -8.510 532 2HZ LYS 63 2HZ LYS 63 0.153 2.962 -8.074 533 3HZ LYS 63 3HZ LYS 63 -0.921 1.892 -7.325 534 H THR 64 H THR 64 -4.812 6.862 -3.813 535 HA THR 64 HA THR 64 -5.854 8.752 -5.517 536 HB THR 64 HB THR 64 -7.016 8.222 -2.781 537 HG1 THR 64 HG1 THR 64 -6.869 6.549 -5.037 538 1HG2 THR 64 1HG2 THR 64 -9.140 8.495 -3.796 539 2HG2 THR 64 2HG2 THR 64 -8.151 9.881 -4.257 540 3HG2 THR 64 3HG2 THR 64 -8.428 8.573 -5.408 541 H GLU 65 H GLU 65 -4.638 9.147 -2.255 542 HA GLU 65 HA GLU 65 -5.196 11.991 -2.219 543 1HB GLU 65 1HB GLU 65 -3.509 10.506 -0.213 544 2HB GLU 65 2HB GLU 65 -4.447 11.974 0.022 545 1HG GLU 65 1HG GLU 65 -6.004 9.609 -0.752 546 2HG GLU 65 2HG GLU 65 -5.218 9.511 0.821 547 H VAL 66 H VAL 66 -2.560 9.787 -2.819 548 HA VAL 66 HA VAL 66 -0.387 11.472 -2.557 549 HB VAL 66 HB VAL 66 -0.765 9.199 -4.480 550 1HG1 VAL 66 1HG1 VAL 66 1.022 10.277 -5.455 551 2HG1 VAL 66 2HG1 VAL 66 1.586 10.950 -3.925 552 3HG1 VAL 66 3HG1 VAL 66 1.841 9.244 -4.285 553 1HG2 VAL 66 1HG2 VAL 66 -0.919 8.672 -2.068 554 2HG2 VAL 66 2HG2 VAL 66 0.480 7.921 -2.839 555 3HG2 VAL 66 3HG2 VAL 66 0.689 9.362 -1.840 556 H TYR 67 H TYR 67 -2.307 10.824 -5.484 557 HA TYR 67 HA TYR 67 -0.975 12.534 -7.221 558 1HB TYR 67 1HB TYR 67 -2.985 10.871 -7.598 559 2HB TYR 67 2HB TYR 67 -3.961 12.317 -7.351 560 HD1 TYR 67 HD1 TYR 67 -1.187 10.954 -9.421 561 HD2 TYR 67 HD2 TYR 67 -4.328 13.807 -9.117 562 HE1 TYR 67 HE1 TYR 67 -0.839 11.577 -11.775 563 HE2 TYR 67 HE2 TYR 67 -3.990 14.438 -11.471 564 HH TYR 67 HH TYR 67 -2.249 14.351 -13.169 565 H ASN 68 H ASN 68 -3.232 13.208 -4.669 566 HA ASN 68 HA ASN 68 -3.544 15.986 -5.464 567 1HB ASN 68 1HB ASN 68 -4.791 14.233 -3.377 568 2HB ASN 68 2HB ASN 68 -4.902 15.986 -3.229 569 1HD2 ASN 68 1HD2 ASN 68 -7.090 13.965 -5.975 570 2HD2 ASN 68 2HD2 ASN 68 -5.866 13.192 -5.033 571 H LEU 69 H LEU 69 -1.600 14.090 -3.305 572 HA LEU 69 HA LEU 69 -1.029 16.099 -1.400 573 1HB LEU 69 1HB LEU 69 0.473 14.640 -0.478 574 2HB LEU 69 2HB LEU 69 -0.510 13.519 -1.392 575 HG LEU 69 HG LEU 69 1.264 13.710 -3.232 576 1HD1 LEU 69 1HD1 LEU 69 3.535 14.196 -1.844 577 2HD1 LEU 69 2HD1 LEU 69 2.722 15.386 -2.861 578 3HD1 LEU 69 3HD1 LEU 69 2.445 15.380 -1.120 579 1HD2 LEU 69 1HD2 LEU 69 2.474 12.537 -0.783 580 2HD2 LEU 69 2HD2 LEU 69 0.924 11.908 -1.331 581 3HD2 LEU 69 3HD2 LEU 69 2.324 11.860 -2.402 582 H ARG 70 H ARG 70 0.188 15.435 -4.588 583 HA ARG 70 HA ARG 70 2.487 17.105 -4.342 584 1HB ARG 70 1HB ARG 70 1.182 16.137 -6.880 585 2HB ARG 70 2HB ARG 70 2.830 16.723 -6.702 586 1HG ARG 70 1HG ARG 70 3.574 14.721 -6.093 587 2HG ARG 70 2HG ARG 70 2.279 14.514 -4.913 588 1HD ARG 70 1HD ARG 70 1.801 12.803 -6.361 589 2HD ARG 70 2HD ARG 70 0.825 14.096 -7.057 590 HE ARG 70 HE ARG 70 3.200 14.305 -8.359 591 1HH1 ARG 70 1HH1 ARG 70 1.330 10.900 -9.330 592 2HH1 ARG 70 2HH1 ARG 70 0.948 11.691 -7.838 593 1HH2 ARG 70 1HH2 ARG 70 2.894 11.794 -10.741 594 2HH2 ARG 70 2HH2 ARG 70 3.703 13.266 -10.322 595 H MET 71 H MET 71 -0.603 17.905 -4.324 596 HA MET 71 HA MET 71 -0.341 20.301 -5.981 597 1HB MET 71 1HB MET 71 -2.805 19.334 -4.531 598 2HB MET 71 2HB MET 71 -2.721 20.539 -5.808 599 1HG MET 71 1HG MET 71 -1.777 18.612 -7.242 600 2HG MET 71 2HG MET 71 -2.464 17.570 -5.997 601 1HE MET 71 1HE MET 71 -5.326 16.630 -7.617 602 2HE MET 71 2HE MET 71 -4.293 17.039 -8.988 603 3HE MET 71 3HE MET 71 -3.584 16.374 -7.515 604 H ASN 72 H ASN 72 -0.304 19.246 -2.711 605 HA ASN 72 HA ASN 72 -0.700 21.972 -1.712 606 1HB ASN 72 1HB ASN 72 -1.079 19.269 -0.596 607 2HB ASN 72 2HB ASN 72 -0.377 20.436 0.522 608 1HD2 ASN 72 1HD2 ASN 72 -3.966 20.666 1.007 609 2HD2 ASN 72 2HD2 ASN 72 -2.684 19.543 1.291 610 H LEU 73 H LEU 73 1.451 19.232 -0.929 611 HA LEU 73 HA LEU 73 3.541 21.140 -0.198 612 1HB LEU 73 1HB LEU 73 2.778 18.481 0.649 613 2HB LEU 73 2HB LEU 73 4.483 18.543 0.242 614 HG LEU 73 HG LEU 73 3.516 20.742 1.956 615 1HD1 LEU 73 1HD1 LEU 73 3.898 19.022 3.923 616 2HD1 LEU 73 2HD1 LEU 73 2.306 19.275 3.210 617 3HD1 LEU 73 3HD1 LEU 73 3.279 17.885 2.725 618 1HD2 LEU 73 1HD2 LEU 73 5.953 19.215 1.425 619 2HD2 LEU 73 2HD2 LEU 73 5.751 20.888 1.941 620 3HD2 LEU 73 3HD2 LEU 73 5.692 19.587 3.129 621 H GLY 74 H GLY 74 2.636 19.259 -2.859 622 1HA GLY 74 1HA GLY 74 5.302 18.663 -3.790 623 2HA GLY 74 2HA GLY 74 3.807 18.420 -4.679 624 H GLY 75 H GLY 75 3.811 19.527 -6.510 625 1HA GLY 75 1HA GLY 75 4.305 22.371 -6.484 626 2HA GLY 75 2HA GLY 75 5.515 21.452 -7.365 627 H THR 76 H THR 76 5.168 21.613 -9.470 628 HA THR 76 HA THR 76 2.550 22.133 -10.535 629 HB THR 76 HB THR 76 4.708 21.362 -12.398 630 HG1 THR 76 HG1 THR 76 6.134 22.739 -11.728 631 1HG2 THR 76 1HG2 THR 76 2.408 22.759 -12.665 632 2HG2 THR 76 2HG2 THR 76 3.581 24.062 -12.476 633 3HG2 THR 76 3HG2 THR 76 3.784 22.872 -13.761 634 H GLY 77 H GLY 77 1.213 20.781 -11.624 635 1HA GLY 77 1HA GLY 77 1.992 18.208 -12.577 636 2HA GLY 77 2HA GLY 77 1.134 18.083 -11.048 637 H PHE 78 H PHE 78 -0.579 20.382 -11.589 638 HA PHE 78 HA PHE 78 -2.815 19.169 -12.618 639 1HB PHE 78 1HB PHE 78 -3.767 21.401 -12.857 640 2HB PHE 78 2HB PHE 78 -2.826 21.298 -11.372 641 HD1 PHE 78 HD1 PHE 78 -0.690 22.458 -11.169 642 HD2 PHE 78 HD2 PHE 78 -3.083 22.814 -14.670 643 HE1 PHE 78 HE1 PHE 78 0.620 24.422 -11.859 644 HE2 PHE 78 HE2 PHE 78 -1.775 24.779 -15.368 645 HZ PHE 78 HZ PHE 78 0.079 25.585 -13.962 646 H GLN 79 H GLN 79 -4.045 19.796 -14.603 647 HA GLN 79 HA GLN 79 -2.265 20.077 -16.930 648 1HB GLN 79 1HB GLN 79 -3.040 17.737 -16.656 649 2HB GLN 79 2HB GLN 79 -4.703 18.298 -16.755 650 1HG GLN 79 1HG GLN 79 -4.382 17.637 -18.905 651 2HG GLN 79 2HG GLN 79 -3.876 19.322 -19.029 652 1HE2 GLN 79 1HE2 GLN 79 -1.327 16.343 -19.851 653 2HE2 GLN 79 2HE2 GLN 79 -2.996 16.097 -19.478 Start of MODEL 25 1 1H MET 1 1H MET 1 -18.613 5.718 -3.830 2 2H MET 1 2H MET 1 -17.319 6.819 -4.062 3 3H MET 1 3H MET 1 -18.014 6.011 -5.407 4 HA MET 1 HA MET 1 -17.342 3.933 -3.986 5 1HB MET 1 1HB MET 1 -15.623 5.571 -5.858 6 2HB MET 1 2HB MET 1 -15.254 3.915 -5.393 7 1HG MET 1 1HG MET 1 -17.950 4.045 -6.315 8 2HG MET 1 2HG MET 1 -16.894 4.821 -7.494 9 1HE MET 1 1HE MET 1 -15.052 2.121 -9.191 10 2HE MET 1 2HE MET 1 -15.636 3.782 -9.123 11 3HE MET 1 3HE MET 1 -14.318 3.269 -8.071 12 H ASP 2 H ASP 2 -17.140 4.555 -1.732 13 HA ASP 2 HA ASP 2 -15.119 6.189 -0.708 14 1HB ASP 2 1HB ASP 2 -16.385 3.763 0.582 15 2HB ASP 2 2HB ASP 2 -15.491 5.026 1.424 16 H ARG 3 H ARG 3 -12.992 5.979 -0.762 17 HA ARG 3 HA ARG 3 -11.804 3.311 -0.556 18 1HB ARG 3 1HB ARG 3 -11.741 5.037 -2.906 19 2HB ARG 3 2HB ARG 3 -10.128 4.615 -2.346 20 1HG ARG 3 1HG ARG 3 -10.310 2.666 -3.368 21 2HG ARG 3 2HG ARG 3 -11.641 2.243 -2.290 22 1HD ARG 3 1HD ARG 3 -12.259 4.005 -4.593 23 2HD ARG 3 2HD ARG 3 -11.898 2.316 -4.942 24 HE ARG 3 HE ARG 3 -14.009 3.131 -3.051 25 1HH1 ARG 3 1HH1 ARG 3 -14.370 0.254 -5.817 26 2HH1 ARG 3 2HH1 ARG 3 -12.903 1.163 -5.728 27 1HH2 ARG 3 1HH2 ARG 3 -16.085 0.685 -4.376 28 2HH2 ARG 3 2HH2 ARG 3 -15.930 1.928 -3.179 29 H VAL 4 H VAL 4 -11.403 4.090 1.625 30 HA VAL 4 HA VAL 4 -8.930 5.654 1.730 31 HB VAL 4 HB VAL 4 -9.729 6.846 3.759 32 1HG1 VAL 4 1HG1 VAL 4 -11.701 7.682 1.751 33 2HG1 VAL 4 2HG1 VAL 4 -10.390 8.590 2.505 34 3HG1 VAL 4 3HG1 VAL 4 -10.052 7.514 1.148 35 1HG2 VAL 4 1HG2 VAL 4 -11.505 5.351 4.431 36 2HG2 VAL 4 2HG2 VAL 4 -12.158 6.967 4.159 37 3HG2 VAL 4 3HG2 VAL 4 -12.400 5.704 2.954 38 H LEU 5 H LEU 5 -7.441 4.622 2.822 39 HA LEU 5 HA LEU 5 -8.119 2.340 4.488 40 1HB LEU 5 1HB LEU 5 -5.917 1.686 4.289 41 2HB LEU 5 2HB LEU 5 -6.223 2.445 2.762 42 HG LEU 5 HG LEU 5 -4.745 3.706 5.068 43 1HD1 LEU 5 1HD1 LEU 5 -3.892 2.185 2.661 44 2HD1 LEU 5 2HD1 LEU 5 -2.938 3.592 3.132 45 3HD1 LEU 5 3HD1 LEU 5 -3.166 2.262 4.266 46 1HD2 LEU 5 1HD2 LEU 5 -5.716 5.461 3.942 47 2HD2 LEU 5 2HD2 LEU 5 -4.162 5.301 3.125 48 3HD2 LEU 5 3HD2 LEU 5 -5.623 4.644 2.387 49 H SER 6 H SER 6 -7.494 2.092 6.655 50 HA SER 6 HA SER 6 -7.559 4.596 8.130 51 1HB SER 6 1HB SER 6 -8.095 3.258 10.061 52 2HB SER 6 2HB SER 6 -9.064 2.680 8.705 53 HG SER 6 HG SER 6 -7.427 1.283 10.218 54 H ARG 7 H ARG 7 -6.323 4.295 10.393 55 HA ARG 7 HA ARG 7 -3.638 4.778 9.909 56 1HB ARG 7 1HB ARG 7 -4.884 5.401 11.981 57 2HB ARG 7 2HB ARG 7 -4.814 3.717 12.484 58 1HG ARG 7 1HG ARG 7 -2.347 3.849 12.456 59 2HG ARG 7 2HG ARG 7 -2.472 5.563 12.058 60 1HD ARG 7 1HD ARG 7 -3.878 4.470 14.457 61 2HD ARG 7 2HD ARG 7 -2.157 4.826 14.533 62 HE ARG 7 HE ARG 7 -2.749 7.136 13.895 63 1HH1 ARG 7 1HH1 ARG 7 -6.140 6.440 15.911 64 2HH1 ARG 7 2HH1 ARG 7 -5.217 5.104 15.321 65 1HH2 ARG 7 1HH2 ARG 7 -5.438 8.580 15.550 66 2HH2 ARG 7 2HH2 ARG 7 -3.972 8.881 14.678 67 H ALA 8 H ALA 8 -5.308 1.778 10.556 68 HA ALA 8 HA ALA 8 -3.041 0.183 11.097 69 1HB ALA 8 1HB ALA 8 -4.649 -1.257 11.609 70 2HB ALA 8 2HB ALA 8 -5.851 -0.194 10.880 71 3HB ALA 8 3HB ALA 8 -5.049 -1.418 9.899 72 H ASP 9 H ASP 9 -4.851 0.823 8.092 73 HA ASP 9 HA ASP 9 -3.275 -0.903 6.488 74 1HB ASP 9 1HB ASP 9 -5.251 1.275 5.983 75 2HB ASP 9 2HB ASP 9 -4.250 0.740 4.655 76 H LYS 10 H LYS 10 -3.283 2.668 6.752 77 HA LYS 10 HA LYS 10 -1.120 3.145 5.074 78 1HB LYS 10 1HB LYS 10 -0.818 5.262 6.446 79 2HB LYS 10 2HB LYS 10 -2.401 5.012 5.730 80 1HG LYS 10 1HG LYS 10 -3.381 5.112 7.708 81 2HG LYS 10 2HG LYS 10 -2.319 3.863 8.353 82 1HD LYS 10 1HD LYS 10 -1.381 6.696 8.052 83 2HD LYS 10 2HD LYS 10 -2.299 6.180 9.470 84 1HE LYS 10 1HE LYS 10 -0.524 4.248 9.515 85 2HE LYS 10 2HE LYS 10 0.435 5.395 8.581 86 1HZ LYS 10 1HZ LYS 10 0.546 5.372 11.172 87 2HZ LYS 10 2HZ LYS 10 0.580 6.840 10.332 88 3HZ LYS 10 3HZ LYS 10 -0.855 6.313 11.054 89 H GLU 11 H GLU 11 -1.195 2.325 8.490 90 HA GLU 11 HA GLU 11 1.616 2.645 8.896 91 1HB GLU 11 1HB GLU 11 0.050 2.788 10.769 92 2HB GLU 11 2HB GLU 11 -0.445 1.121 10.503 93 1HG GLU 11 1HG GLU 11 1.034 1.077 12.325 94 2HG GLU 11 2HG GLU 11 1.950 0.469 10.947 95 H ARG 12 H ARG 12 -0.481 0.078 7.832 96 HA ARG 12 HA ARG 12 1.468 -2.013 8.101 97 1HB ARG 12 1HB ARG 12 -1.051 -2.322 8.104 98 2HB ARG 12 2HB ARG 12 -1.007 -2.033 6.371 99 1HG ARG 12 1HG ARG 12 0.697 -3.955 6.307 100 2HG ARG 12 2HG ARG 12 0.104 -4.331 7.923 101 1HD ARG 12 1HD ARG 12 -2.120 -3.891 6.182 102 2HD ARG 12 2HD ARG 12 -1.022 -5.048 5.437 103 HE ARG 12 HE ARG 12 -1.349 -6.504 7.265 104 1HH1 ARG 12 1HH1 ARG 12 -4.414 -4.315 8.633 105 2HH1 ARG 12 2HH1 ARG 12 -3.318 -3.622 7.488 106 1HH2 ARG 12 1HH2 ARG 12 -4.114 -6.456 9.365 107 2HH2 ARG 12 2HH2 ARG 12 -2.789 -7.404 8.773 108 H LEU 13 H LEU 13 0.481 0.260 5.652 109 HA LEU 13 HA LEU 13 1.706 -0.948 3.414 110 1HB LEU 13 1HB LEU 13 0.071 0.758 3.079 111 2HB LEU 13 2HB LEU 13 0.953 1.892 4.078 112 HG LEU 13 HG LEU 13 2.790 1.474 2.150 113 1HD1 LEU 13 1HD1 LEU 13 1.615 1.483 -0.019 114 2HD1 LEU 13 2HD1 LEU 13 1.417 -0.035 0.859 115 3HD1 LEU 13 3HD1 LEU 13 0.104 1.142 0.824 116 1HD2 LEU 13 1HD2 LEU 13 1.674 3.588 3.051 117 2HD2 LEU 13 2HD2 LEU 13 2.246 3.617 1.381 118 3HD2 LEU 13 3HD2 LEU 13 0.529 3.398 1.722 119 H LEU 14 H LEU 14 2.839 1.185 5.944 120 HA LEU 14 HA LEU 14 5.325 1.869 4.786 121 1HB LEU 14 1HB LEU 14 4.153 1.953 7.529 122 2HB LEU 14 2HB LEU 14 5.880 2.195 7.345 123 HG LEU 14 HG LEU 14 3.679 3.877 6.148 124 1HD1 LEU 14 1HD1 LEU 14 4.898 3.956 8.654 125 2HD1 LEU 14 2HD1 LEU 14 5.677 5.235 7.722 126 3HD1 LEU 14 3HD1 LEU 14 3.923 5.218 7.902 127 1HD2 LEU 14 1HD2 LEU 14 6.338 3.448 5.212 128 2HD2 LEU 14 2HD2 LEU 14 5.104 4.539 4.585 129 3HD2 LEU 14 3HD2 LEU 14 6.211 5.089 5.844 130 H GLU 15 H GLU 15 4.418 -0.586 7.192 131 HA GLU 15 HA GLU 15 6.969 -1.661 7.584 132 1HB GLU 15 1HB GLU 15 4.976 -2.101 9.015 133 2HB GLU 15 2HB GLU 15 4.332 -3.131 7.744 134 1HG GLU 15 1HG GLU 15 6.789 -4.210 8.079 135 2HG GLU 15 2HG GLU 15 6.441 -3.649 9.714 136 H LEU 16 H LEU 16 4.787 -1.978 4.933 137 HA LEU 16 HA LEU 16 6.073 -4.386 3.929 138 1HB LEU 16 1HB LEU 16 3.753 -2.712 3.029 139 2HB LEU 16 2HB LEU 16 4.474 -3.893 1.951 140 HG LEU 16 HG LEU 16 3.343 -4.554 4.670 141 1HD1 LEU 16 1HD1 LEU 16 1.876 -5.664 2.477 142 2HD1 LEU 16 2HD1 LEU 16 1.311 -4.630 3.791 143 3HD1 LEU 16 3HD1 LEU 16 1.951 -3.909 2.315 144 1HD2 LEU 16 1HD2 LEU 16 3.351 -6.875 3.506 145 2HD2 LEU 16 2HD2 LEU 16 4.569 -6.146 2.459 146 3HD2 LEU 16 3HD2 LEU 16 4.845 -6.244 4.198 147 H LEU 17 H LEU 17 5.990 -0.934 3.283 148 HA LEU 17 HA LEU 17 7.571 -1.183 0.879 149 1HB LEU 17 1HB LEU 17 6.215 1.005 2.327 150 2HB LEU 17 2HB LEU 17 7.618 1.448 1.375 151 HG LEU 17 HG LEU 17 6.556 0.425 -0.619 152 1HD1 LEU 17 1HD1 LEU 17 4.797 -0.661 1.321 153 2HD1 LEU 17 2HD1 LEU 17 3.857 0.391 0.263 154 3HD1 LEU 17 3HD1 LEU 17 4.812 -0.923 -0.424 155 1HD2 LEU 17 1HD2 LEU 17 4.732 2.161 -0.810 156 2HD2 LEU 17 2HD2 LEU 17 5.114 2.612 0.851 157 3HD2 LEU 17 3HD2 LEU 17 6.339 2.763 -0.408 158 H LYS 18 H LYS 18 8.376 -1.478 4.029 159 HA LYS 18 HA LYS 18 10.295 -1.227 5.231 160 1HB LYS 18 1HB LYS 18 11.069 -1.854 2.502 161 2HB LYS 18 2HB LYS 18 12.304 -0.925 3.336 162 1HG LYS 18 1HG LYS 18 13.010 -2.857 4.178 163 2HG LYS 18 2HG LYS 18 11.566 -2.833 5.191 164 1HD LYS 18 1HD LYS 18 10.505 -3.858 2.958 165 2HD LYS 18 2HD LYS 18 12.165 -4.424 2.767 166 1HE LYS 18 1HE LYS 18 11.204 -4.816 5.471 167 2HE LYS 18 2HE LYS 18 10.160 -5.605 4.290 168 1HZ LYS 18 1HZ LYS 18 11.654 -7.242 4.398 169 2HZ LYS 18 2HZ LYS 18 12.627 -6.262 3.422 170 3HZ LYS 18 3HZ LYS 18 12.845 -6.266 5.100 171 H LEU 19 H LEU 19 8.861 1.162 4.018 172 HA LEU 19 HA LEU 19 10.986 3.159 4.082 173 1HB LEU 19 1HB LEU 19 9.525 3.328 2.195 174 2HB LEU 19 2HB LEU 19 8.101 3.236 3.211 175 HG LEU 19 HG LEU 19 9.833 5.488 3.869 176 1HD1 LEU 19 1HD1 LEU 19 8.370 5.718 1.271 177 2HD1 LEU 19 2HD1 LEU 19 9.616 6.767 1.944 178 3HD1 LEU 19 3HD1 LEU 19 10.048 5.177 1.318 179 1HD2 LEU 19 1HD2 LEU 19 7.776 5.583 4.858 180 2HD2 LEU 19 2HD2 LEU 19 7.525 6.610 3.448 181 3HD2 LEU 19 3HD2 LEU 19 6.942 4.944 3.443 182 HA PRO 20 HA PRO 20 10.002 3.644 8.462 183 1HB PRO 20 1HB PRO 20 11.567 6.125 8.038 184 2HB PRO 20 2HB PRO 20 11.764 4.864 9.244 185 1HG PRO 20 1HG PRO 20 13.407 5.103 7.124 186 2HG PRO 20 2HG PRO 20 13.027 3.546 7.873 187 1HD PRO 20 1HD PRO 20 12.130 4.671 5.294 188 2HD PRO 20 2HD PRO 20 12.288 2.979 5.799 189 H ARG 21 H ARG 21 9.376 5.693 9.800 190 HA ARG 21 HA ARG 21 7.073 6.839 8.468 191 1HB ARG 21 1HB ARG 21 6.364 7.558 10.658 192 2HB ARG 21 2HB ARG 21 6.895 5.884 10.750 193 1HG ARG 21 1HG ARG 21 9.144 7.505 11.295 194 2HG ARG 21 2HG ARG 21 7.797 8.139 12.237 195 1HD ARG 21 1HD ARG 21 7.908 6.433 13.660 196 2HD ARG 21 2HD ARG 21 7.839 5.264 12.346 197 HE ARG 21 HE ARG 21 10.323 6.505 13.340 198 1HH1 ARG 21 1HH1 ARG 21 10.020 2.784 11.880 199 2HH1 ARG 21 2HH1 ARG 21 8.620 3.800 11.913 200 1HH2 ARG 21 1HH2 ARG 21 12.022 3.555 12.658 201 2HH2 ARG 21 2HH2 ARG 21 12.153 5.161 13.289 202 H GLN 22 H GLN 22 10.221 7.808 9.473 203 HA GLN 22 HA GLN 22 9.850 10.579 9.685 204 1HB GLN 22 1HB GLN 22 11.891 8.941 10.163 205 2HB GLN 22 2HB GLN 22 12.398 9.527 8.586 206 1HG GLN 22 1HG GLN 22 13.424 11.052 9.931 207 2HG GLN 22 2HG GLN 22 11.890 11.873 9.651 208 1HE2 GLN 22 1HE2 GLN 22 12.858 10.436 13.335 209 2HE2 GLN 22 2HE2 GLN 22 13.744 9.969 11.928 210 H LEU 23 H LEU 23 9.552 8.622 6.954 211 HA LEU 23 HA LEU 23 9.857 10.962 5.204 212 1HB LEU 23 1HB LEU 23 10.437 9.305 3.374 213 2HB LEU 23 2HB LEU 23 11.667 9.597 4.588 214 HG LEU 23 HG LEU 23 9.814 7.220 4.652 215 1HD1 LEU 23 1HD1 LEU 23 12.676 7.232 3.737 216 2HD1 LEU 23 2HD1 LEU 23 11.525 5.897 3.685 217 3HD1 LEU 23 3HD1 LEU 23 11.310 7.293 2.625 218 1HD2 LEU 23 1HD2 LEU 23 10.621 7.128 6.724 219 2HD2 LEU 23 2HD2 LEU 23 12.112 6.576 5.967 220 3HD2 LEU 23 3HD2 LEU 23 11.911 8.278 6.382 221 H TRP 24 H TRP 24 7.591 9.417 6.648 222 HA TRP 24 HA TRP 24 5.888 8.166 4.872 223 1HB TRP 24 1HB TRP 24 5.433 8.253 7.258 224 2HB TRP 24 2HB TRP 24 5.209 9.995 7.185 225 HD1 TRP 24 HD1 TRP 24 2.756 10.653 7.272 226 HE1 TRP 24 HE1 TRP 24 0.523 9.608 6.533 227 HE3 TRP 24 HE3 TRP 24 4.529 6.355 5.148 228 HZ2 TRP 24 HZ2 TRP 24 -0.370 7.270 5.226 229 HZ3 TRP 24 HZ3 TRP 24 2.916 4.762 4.176 230 HH2 TRP 24 HH2 TRP 24 0.521 5.218 4.214 231 H GLY 25 H GLY 25 5.879 9.075 2.841 232 1HA GLY 25 1HA GLY 25 4.086 10.506 1.712 233 2HA GLY 25 2HA GLY 25 4.826 11.820 2.615 234 H ASP 26 H ASP 26 7.484 10.343 2.170 235 HA ASP 26 HA ASP 26 8.391 11.884 0.010 236 1HB ASP 26 1HB ASP 26 9.810 10.938 1.860 237 2HB ASP 26 2HB ASP 26 9.670 9.362 1.089 238 H PHE 27 H PHE 27 6.867 11.436 -1.671 239 HA PHE 27 HA PHE 27 6.154 9.063 -2.797 240 1HB PHE 27 1HB PHE 27 5.603 11.526 -3.476 241 2HB PHE 27 2HB PHE 27 6.937 11.320 -4.607 242 HD1 PHE 27 HD1 PHE 27 6.251 10.867 -6.737 243 HD2 PHE 27 HD2 PHE 27 4.046 9.236 -3.481 244 HE1 PHE 27 HE1 PHE 27 4.734 9.758 -8.326 245 HE2 PHE 27 HE2 PHE 27 2.525 8.124 -5.066 246 HZ PHE 27 HZ PHE 27 2.868 8.385 -7.490 247 H GLY 28 H GLY 28 9.251 10.672 -3.073 248 1HA GLY 28 1HA GLY 28 10.244 9.087 -5.223 249 2HA GLY 28 2HA GLY 28 11.204 10.077 -4.135 250 H ARG 29 H ARG 29 10.338 8.745 -1.715 251 HA ARG 29 HA ARG 29 12.131 6.477 -1.872 252 1HB ARG 29 1HB ARG 29 10.777 7.924 0.387 253 2HB ARG 29 2HB ARG 29 11.587 6.387 0.651 254 1HG ARG 29 1HG ARG 29 12.961 8.735 -0.615 255 2HG ARG 29 2HG ARG 29 12.928 8.474 1.130 256 1HD ARG 29 1HD ARG 29 14.116 6.438 0.942 257 2HD ARG 29 2HD ARG 29 13.885 6.380 -0.804 258 HE ARG 29 HE ARG 29 15.321 8.706 -0.064 259 1HH1 ARG 29 1HH1 ARG 29 17.385 5.344 -0.767 260 2HH1 ARG 29 2HH1 ARG 29 15.686 5.255 -0.439 261 1HH2 ARG 29 1HH2 ARG 29 18.446 7.371 -0.797 262 2HH2 ARG 29 2HH2 ARG 29 17.555 8.825 -0.494 263 H MET 30 H MET 30 8.746 7.033 -0.905 264 HA MET 30 HA MET 30 8.119 4.369 -0.324 265 1HB MET 30 1HB MET 30 5.778 5.028 -0.577 266 2HB MET 30 2HB MET 30 6.682 6.237 0.321 267 1HG MET 30 1HG MET 30 6.870 7.575 -1.746 268 2HG MET 30 2HG MET 30 5.859 6.390 -2.567 269 1HE MET 30 1HE MET 30 4.286 8.639 1.127 270 2HE MET 30 2HE MET 30 4.877 6.981 1.203 271 3HE MET 30 3HE MET 30 5.985 8.293 0.804 272 H GLN 31 H GLN 31 7.742 6.188 -3.360 273 HA GLN 31 HA GLN 31 6.630 4.053 -4.831 274 1HB GLN 31 1HB GLN 31 6.748 6.586 -5.400 275 2HB GLN 31 2HB GLN 31 8.314 6.193 -6.097 276 1HG GLN 31 1HG GLN 31 7.259 4.591 -7.593 277 2HG GLN 31 2HG GLN 31 5.686 4.949 -6.878 278 1HE2 GLN 31 1HE2 GLN 31 5.065 7.588 -8.996 279 2HE2 GLN 31 2HE2 GLN 31 4.495 6.378 -7.903 280 H GLN 32 H GLN 32 9.964 5.208 -4.461 281 HA GLN 32 HA GLN 32 11.164 3.389 -6.236 282 1HB GLN 32 1HB GLN 32 12.272 5.413 -5.290 283 2HB GLN 32 2HB GLN 32 12.378 4.590 -3.740 284 1HG GLN 32 1HG GLN 32 14.454 4.158 -4.552 285 2HG GLN 32 2HG GLN 32 13.592 2.753 -5.177 286 1HE2 GLN 32 1HE2 GLN 32 15.175 5.520 -7.664 287 2HE2 GLN 32 2HE2 GLN 32 15.193 5.706 -5.947 288 H ALA 33 H ALA 33 10.299 3.162 -2.836 289 HA ALA 33 HA ALA 33 11.550 0.597 -2.468 290 1HB ALA 33 1HB ALA 33 10.098 2.525 -0.804 291 2HB ALA 33 2HB ALA 33 9.816 0.838 -0.378 292 3HB ALA 33 3HB ALA 33 11.459 1.477 -0.404 293 H TYR 34 H TYR 34 8.340 1.812 -3.219 294 HA TYR 34 HA TYR 34 6.854 -0.514 -2.786 295 1HB TYR 34 1HB TYR 34 5.752 1.608 -3.207 296 2HB TYR 34 2HB TYR 34 6.451 1.692 -4.821 297 HD1 TYR 34 HD1 TYR 34 5.800 -0.175 -6.471 298 HD2 TYR 34 HD2 TYR 34 3.635 0.646 -2.895 299 HE1 TYR 34 HE1 TYR 34 3.847 -1.348 -7.392 300 HE2 TYR 34 HE2 TYR 34 1.682 -0.540 -3.811 301 HH TYR 34 HH TYR 34 1.373 -2.454 -5.645 302 H LYS 35 H LYS 35 8.601 0.598 -5.667 303 HA LYS 35 HA LYS 35 7.888 -1.638 -7.275 304 1HB LYS 35 1HB LYS 35 9.021 0.784 -7.787 305 2HB LYS 35 2HB LYS 35 10.429 -0.265 -7.886 306 1HG LYS 35 1HG LYS 35 8.895 -1.708 -9.424 307 2HG LYS 35 2HG LYS 35 7.986 -0.205 -9.593 308 1HD LYS 35 1HD LYS 35 9.435 0.397 -11.174 309 2HD LYS 35 2HD LYS 35 10.662 0.527 -9.912 310 1HE LYS 35 1HE LYS 35 11.560 -1.544 -10.388 311 2HE LYS 35 2HE LYS 35 10.067 -2.139 -11.113 312 1HZ LYS 35 1HZ LYS 35 11.417 0.084 -12.441 313 2HZ LYS 35 2HZ LYS 35 12.137 -1.442 -12.562 314 3HZ LYS 35 3HZ LYS 35 10.553 -1.209 -13.108 315 H GLN 36 H GLN 36 10.536 -0.919 -5.087 316 HA GLN 36 HA GLN 36 12.151 -3.150 -5.810 317 1HB GLN 36 1HB GLN 36 12.092 -1.297 -3.439 318 2HB GLN 36 2HB GLN 36 13.177 -2.680 -3.487 319 1HG GLN 36 1HG GLN 36 13.387 -1.216 -5.935 320 2HG GLN 36 2HG GLN 36 13.578 -0.120 -4.567 321 1HE2 GLN 36 1HE2 GLN 36 16.662 -2.245 -5.713 322 2HE2 GLN 36 2HE2 GLN 36 15.285 -1.823 -6.667 323 H GLN 37 H GLN 37 9.577 -2.604 -3.490 324 HA GLN 37 HA GLN 37 9.916 -5.193 -2.241 325 1HB GLN 37 1HB GLN 37 7.794 -3.059 -1.946 326 2HB GLN 37 2HB GLN 37 7.833 -4.546 -1.008 327 1HG GLN 37 1HG GLN 37 9.971 -2.427 -1.018 328 2HG GLN 37 2HG GLN 37 8.745 -2.650 0.231 329 1HE2 GLN 37 1HE2 GLN 37 12.142 -4.419 0.769 330 2HE2 GLN 37 2HE2 GLN 37 11.817 -2.937 -0.059 331 H SER 38 H SER 38 8.229 -3.876 -4.924 332 HA SER 38 HA SER 38 6.107 -5.786 -5.015 333 1HB SER 38 1HB SER 38 7.240 -3.890 -7.077 334 2HB SER 38 2HB SER 38 5.872 -4.952 -7.400 335 HG SER 38 HG SER 38 4.671 -3.866 -5.916 336 H LEU 39 H LEU 39 9.354 -5.588 -6.323 337 HA LEU 39 HA LEU 39 9.164 -7.732 -8.149 338 1HB LEU 39 1HB LEU 39 11.293 -6.099 -6.964 339 2HB LEU 39 2HB LEU 39 11.795 -7.730 -7.365 340 HG LEU 39 HG LEU 39 10.463 -5.876 -9.335 341 1HD1 LEU 39 1HD1 LEU 39 13.135 -6.222 -10.050 342 2HD1 LEU 39 2HD1 LEU 39 12.374 -4.751 -9.444 343 3HD1 LEU 39 3HD1 LEU 39 13.164 -5.861 -8.325 344 1HD2 LEU 39 1HD2 LEU 39 10.614 -7.536 -10.828 345 2HD2 LEU 39 2HD2 LEU 39 12.217 -8.018 -10.276 346 3HD2 LEU 39 3HD2 LEU 39 10.783 -8.592 -9.426 347 H LEU 40 H LEU 40 10.076 -7.576 -4.735 348 HA LEU 40 HA LEU 40 10.656 -10.396 -4.608 349 1HB LEU 40 1HB LEU 40 10.986 -10.010 -2.215 350 2HB LEU 40 2HB LEU 40 11.883 -8.861 -3.188 351 HG LEU 40 HG LEU 40 9.656 -7.420 -2.750 352 1HD1 LEU 40 1HD1 LEU 40 8.816 -9.373 -1.327 353 2HD1 LEU 40 2HD1 LEU 40 10.014 -8.853 -0.143 354 3HD1 LEU 40 3HD1 LEU 40 8.726 -7.754 -0.634 355 1HD2 LEU 40 1HD2 LEU 40 10.982 -6.571 -0.668 356 2HD2 LEU 40 2HD2 LEU 40 12.215 -7.692 -1.243 357 3HD2 LEU 40 3HD2 LEU 40 11.658 -6.386 -2.286 358 H LEU 41 H LEU 41 7.840 -8.532 -4.530 359 HA LEU 41 HA LEU 41 6.367 -10.452 -2.896 360 1HB LEU 41 1HB LEU 41 5.752 -7.734 -3.996 361 2HB LEU 41 2HB LEU 41 4.452 -8.787 -3.471 362 HG LEU 41 HG LEU 41 6.712 -8.275 -1.592 363 1HD1 LEU 41 1HD1 LEU 41 6.314 -6.111 -1.322 364 2HD1 LEU 41 2HD1 LEU 41 5.298 -6.164 -2.763 365 3HD1 LEU 41 3HD1 LEU 41 4.580 -6.398 -1.171 366 1HD2 LEU 41 1HD2 LEU 41 5.029 -9.890 -0.969 367 2HD2 LEU 41 2HD2 LEU 41 4.878 -8.458 0.049 368 3HD2 LEU 41 3HD2 LEU 41 3.748 -8.718 -1.280 369 H HIS 42 H HIS 42 7.288 -10.203 -6.048 370 HA HIS 42 HA HIS 42 4.854 -10.923 -7.361 371 1HB HIS 42 1HB HIS 42 7.087 -9.829 -8.281 372 2HB HIS 42 2HB HIS 42 7.524 -11.510 -8.563 373 HD1 HIS 42 HD1 HIS 42 5.094 -8.867 -9.654 374 HD2 HIS 42 HD2 HIS 42 6.191 -12.740 -10.680 375 HE1 HIS 42 HE1 HIS 42 3.967 -9.325 -11.854 376 HE2 HIS 42 HE2 HIS 42 4.702 -11.649 -12.491 377 HA PRO 43 HA PRO 43 4.762 -15.236 -6.423 378 1HB PRO 43 1HB PRO 43 3.507 -16.139 -8.695 379 2HB PRO 43 2HB PRO 43 2.679 -15.387 -7.328 380 1HG PRO 43 1HG PRO 43 3.529 -14.181 -9.929 381 2HG PRO 43 2HG PRO 43 2.030 -13.935 -9.015 382 1HD PRO 43 1HD PRO 43 4.026 -12.138 -8.976 383 2HD PRO 43 2HD PRO 43 3.023 -12.444 -7.547 384 H ASP 44 H ASP 44 6.536 -13.975 -9.061 385 HA ASP 44 HA ASP 44 7.488 -16.553 -9.977 386 1HB ASP 44 1HB ASP 44 7.761 -13.749 -10.862 387 2HB ASP 44 2HB ASP 44 9.161 -14.772 -11.157 388 H LYS 45 H LYS 45 8.430 -14.119 -7.707 389 HA LYS 45 HA LYS 45 11.108 -15.286 -7.451 390 1HB LYS 45 1HB LYS 45 9.875 -12.705 -6.539 391 2HB LYS 45 2HB LYS 45 11.346 -13.305 -5.786 392 1HG LYS 45 1HG LYS 45 11.878 -11.718 -7.525 393 2HG LYS 45 2HG LYS 45 12.446 -13.328 -7.977 394 1HD LYS 45 1HD LYS 45 10.767 -13.603 -9.572 395 2HD LYS 45 2HD LYS 45 9.763 -12.331 -8.871 396 1HE LYS 45 1HE LYS 45 10.586 -11.017 -10.479 397 2HE LYS 45 2HE LYS 45 12.069 -10.992 -9.528 398 1HZ LYS 45 1HZ LYS 45 11.561 -12.203 -12.069 399 2HZ LYS 45 2HZ LYS 45 13.036 -11.845 -11.322 400 3HZ LYS 45 3HZ LYS 45 12.244 -13.298 -10.974 401 H GLY 46 H GLY 46 8.536 -16.525 -6.509 402 1HA GLY 46 1HA GLY 46 8.183 -18.019 -4.757 403 2HA GLY 46 2HA GLY 46 9.521 -17.283 -3.892 404 H GLY 47 H GLY 47 7.914 -14.642 -4.672 405 1HA GLY 47 1HA GLY 47 6.833 -14.232 -2.105 406 2HA GLY 47 2HA GLY 47 6.551 -13.212 -3.508 407 H SER 48 H SER 48 4.572 -13.613 -1.644 408 HA SER 48 HA SER 48 2.786 -15.662 -2.680 409 1HB SER 48 1HB SER 48 3.032 -14.149 -0.205 410 2HB SER 48 2HB SER 48 1.373 -14.175 -0.799 411 HG SER 48 HG SER 48 3.043 -16.413 -0.300 412 H HIS 49 H HIS 49 0.637 -15.184 -3.396 413 HA HIS 49 HA HIS 49 0.548 -12.831 -5.074 414 1HB HIS 49 1HB HIS 49 -0.624 -15.436 -5.100 415 2HB HIS 49 2HB HIS 49 -1.925 -14.250 -5.141 416 HD1 HIS 49 HD1 HIS 49 -0.534 -16.207 -7.468 417 HD2 HIS 49 HD2 HIS 49 -0.582 -12.062 -7.159 418 HE1 HIS 49 HE1 HIS 49 -0.165 -15.354 -9.804 419 HE2 HIS 49 HE2 HIS 49 -0.287 -12.845 -9.606 420 H ALA 50 H ALA 50 -1.123 -14.081 -2.235 421 HA ALA 50 HA ALA 50 -3.181 -12.172 -2.111 422 1HB ALA 50 1HB ALA 50 -2.348 -14.371 -0.593 423 2HB ALA 50 2HB ALA 50 -2.364 -13.001 0.517 424 3HB ALA 50 3HB ALA 50 -3.818 -13.419 -0.390 425 H LEU 51 H LEU 51 0.178 -11.952 -1.342 426 HA LEU 51 HA LEU 51 -0.104 -9.653 0.380 427 1HB LEU 51 1HB LEU 51 2.125 -11.320 -0.633 428 2HB LEU 51 2HB LEU 51 2.511 -9.660 -0.224 429 HG LEU 51 HG LEU 51 1.234 -10.294 2.018 430 1HD1 LEU 51 1HD1 LEU 51 2.418 -12.793 2.237 431 2HD1 LEU 51 2HD1 LEU 51 0.693 -12.446 2.134 432 3HD1 LEU 51 3HD1 LEU 51 1.603 -12.828 0.673 433 1HD2 LEU 51 1HD2 LEU 51 3.664 -11.297 2.650 434 2HD2 LEU 51 2HD2 LEU 51 4.033 -10.471 1.135 435 3HD2 LEU 51 3HD2 LEU 51 3.317 -9.577 2.476 436 H MET 52 H MET 52 1.230 -10.234 -2.874 437 HA MET 52 HA MET 52 1.889 -7.614 -3.507 438 1HB MET 52 1HB MET 52 2.526 -9.583 -4.855 439 2HB MET 52 2HB MET 52 0.860 -9.737 -5.392 440 1HG MET 52 1HG MET 52 2.225 -8.667 -7.083 441 2HG MET 52 2HG MET 52 0.992 -7.562 -6.475 442 1HE MET 52 1HE MET 52 1.284 -5.447 -5.738 443 2HE MET 52 2HE MET 52 2.793 -4.546 -5.581 444 3HE MET 52 3HE MET 52 2.271 -5.126 -7.163 445 H GLN 53 H GLN 53 -1.186 -9.316 -3.995 446 HA GLN 53 HA GLN 53 -2.528 -7.254 -5.337 447 1HB GLN 53 1HB GLN 53 -4.600 -8.400 -4.626 448 2HB GLN 53 2HB GLN 53 -3.411 -9.509 -5.295 449 1HG GLN 53 1HG GLN 53 -3.684 -10.752 -3.487 450 2HG GLN 53 2HG GLN 53 -2.878 -9.479 -2.572 451 1HE2 GLN 53 1HE2 GLN 53 -5.669 -9.086 -0.590 452 2HE2 GLN 53 2HE2 GLN 53 -3.956 -9.246 -0.744 453 H GLU 54 H GLU 54 -1.817 -7.726 -1.964 454 HA GLU 54 HA GLU 54 -3.741 -5.847 -0.988 455 1HB GLU 54 1HB GLU 54 -1.798 -7.663 0.127 456 2HB GLU 54 2HB GLU 54 -1.668 -6.090 0.901 457 1HG GLU 54 1HG GLU 54 -4.108 -6.169 1.343 458 2HG GLU 54 2HG GLU 54 -4.127 -7.811 0.700 459 H LEU 55 H LEU 55 -0.243 -5.745 -1.612 460 HA LEU 55 HA LEU 55 0.312 -3.201 -0.687 461 1HB LEU 55 1HB LEU 55 1.889 -4.988 -1.566 462 2HB LEU 55 2HB LEU 55 1.508 -4.397 -3.171 463 HG LEU 55 HG LEU 55 2.480 -2.248 -2.679 464 1HD1 LEU 55 1HD1 LEU 55 2.093 -3.072 0.049 465 2HD1 LEU 55 2HD1 LEU 55 3.768 -2.595 -0.217 466 3HD1 LEU 55 3HD1 LEU 55 2.462 -1.474 -0.599 467 1HD2 LEU 55 1HD2 LEU 55 3.929 -4.752 -2.446 468 2HD2 LEU 55 2HD2 LEU 55 4.307 -3.309 -3.388 469 3HD2 LEU 55 3HD2 LEU 55 4.782 -3.403 -1.692 470 H ASN 56 H ASN 56 -0.495 -4.116 -4.042 471 HA ASN 56 HA ASN 56 -0.574 -1.552 -5.109 472 1HB ASN 56 1HB ASN 56 -1.213 -4.172 -5.980 473 2HB ASN 56 2HB ASN 56 -2.607 -3.160 -6.347 474 1HD2 ASN 56 1HD2 ASN 56 0.706 -2.964 -8.571 475 2HD2 ASN 56 2HD2 ASN 56 0.461 -4.121 -7.312 476 H SER 57 H SER 57 -3.084 -3.387 -3.444 477 HA SER 57 HA SER 57 -5.182 -1.537 -3.913 478 1HB SER 57 1HB SER 57 -5.060 -4.064 -2.886 479 2HB SER 57 2HB SER 57 -5.334 -3.114 -1.427 480 HG SER 57 HG SER 57 -6.891 -2.826 -3.774 481 H LEU 58 H LEU 58 -2.705 -1.834 -1.453 482 HA LEU 58 HA LEU 58 -3.849 0.243 0.199 483 1HB LEU 58 1HB LEU 58 -1.431 -1.500 0.341 484 2HB LEU 58 2HB LEU 58 -1.465 -0.028 1.292 485 HG LEU 58 HG LEU 58 -3.666 -2.070 1.464 486 1HD1 LEU 58 1HD1 LEU 58 -2.576 -3.231 3.148 487 2HD1 LEU 58 2HD1 LEU 58 -1.296 -2.957 1.965 488 3HD1 LEU 58 3HD1 LEU 58 -1.395 -1.947 3.408 489 1HD2 LEU 58 1HD2 LEU 58 -4.490 -0.267 2.565 490 2HD2 LEU 58 2HD2 LEU 58 -3.512 -0.924 3.879 491 3HD2 LEU 58 3HD2 LEU 58 -2.891 0.401 2.894 492 H TRP 59 H TRP 59 -1.644 0.032 -2.443 493 HA TRP 59 HA TRP 59 -0.459 2.627 -1.909 494 1HB TRP 59 1HB TRP 59 1.026 0.960 -2.787 495 2HB TRP 59 2HB TRP 59 -0.072 0.591 -4.110 496 HD1 TRP 59 HD1 TRP 59 0.499 1.699 -6.333 497 HE1 TRP 59 HE1 TRP 59 1.978 3.663 -7.094 498 HE3 TRP 59 HE3 TRP 59 1.934 3.474 -1.750 499 HZ2 TRP 59 HZ2 TRP 59 3.544 5.685 -5.915 500 HZ3 TRP 59 HZ3 TRP 59 3.430 5.416 -1.661 501 HH2 TRP 59 HH2 TRP 59 4.217 6.503 -3.701 502 H GLY 60 H GLY 60 -3.132 1.271 -3.560 503 1HA GLY 60 1HA GLY 60 -3.411 3.333 -5.548 504 2HA GLY 60 2HA GLY 60 -4.604 2.112 -5.138 505 H THR 61 H THR 61 -5.420 2.461 -2.712 506 HA THR 61 HA THR 61 -6.981 4.778 -2.688 507 HB THR 61 HB THR 61 -6.923 2.535 -1.179 508 HG1 THR 61 HG1 THR 61 -8.767 3.686 -1.205 509 1HG2 THR 61 1HG2 THR 61 -5.178 2.984 0.300 510 2HG2 THR 61 2HG2 THR 61 -5.749 4.629 0.584 511 3HG2 THR 61 3HG2 THR 61 -6.674 3.262 1.190 512 H PHE 62 H PHE 62 -4.059 3.941 -0.977 513 HA PHE 62 HA PHE 62 -3.416 6.174 0.459 514 1HB PHE 62 1HB PHE 62 -2.025 4.183 0.444 515 2HB PHE 62 2HB PHE 62 -1.642 4.423 -1.258 516 HD1 PHE 62 HD1 PHE 62 0.724 4.113 -0.488 517 HD2 PHE 62 HD2 PHE 62 -1.668 7.429 0.712 518 HE1 PHE 62 HE1 PHE 62 2.753 5.350 0.142 519 HE2 PHE 62 HE2 PHE 62 0.363 8.668 1.339 520 HZ PHE 62 HZ PHE 62 2.574 7.624 1.050 521 H LYS 63 H LYS 63 -2.671 5.535 -2.915 522 HA LYS 63 HA LYS 63 -1.415 7.911 -3.590 523 1HB LYS 63 1HB LYS 63 -2.273 5.572 -4.863 524 2HB LYS 63 2HB LYS 63 -3.058 6.863 -5.735 525 1HG LYS 63 1HG LYS 63 -0.925 7.906 -6.192 526 2HG LYS 63 2HG LYS 63 -0.101 6.696 -5.207 527 1HD LYS 63 1HD LYS 63 -1.540 6.282 -7.822 528 2HD LYS 63 2HD LYS 63 0.177 6.059 -7.486 529 1HE LYS 63 1HE LYS 63 -0.465 4.233 -5.887 530 2HE LYS 63 2HE LYS 63 -2.120 4.396 -6.460 531 1HZ LYS 63 1HZ LYS 63 -0.978 4.082 -8.772 532 2HZ LYS 63 2HZ LYS 63 0.224 3.328 -7.856 533 3HZ LYS 63 3HZ LYS 63 -1.362 2.742 -7.811 534 H THR 64 H THR 64 -4.871 7.100 -3.548 535 HA THR 64 HA THR 64 -5.963 9.255 -4.853 536 HB THR 64 HB THR 64 -7.008 8.124 -2.247 537 HG1 THR 64 HG1 THR 64 -7.413 7.214 -4.902 538 1HG2 THR 64 1HG2 THR 64 -9.103 8.577 -4.012 539 2HG2 THR 64 2HG2 THR 64 -8.718 9.486 -2.551 540 3HG2 THR 64 3HG2 THR 64 -8.094 10.019 -4.112 541 H GLU 65 H GLU 65 -4.638 9.083 -1.617 542 HA GLU 65 HA GLU 65 -5.226 11.865 -1.051 543 1HB GLU 65 1HB GLU 65 -3.420 10.137 0.616 544 2HB GLU 65 2HB GLU 65 -4.452 11.464 1.124 545 1HG GLU 65 1HG GLU 65 -5.822 9.115 -0.018 546 2HG GLU 65 2HG GLU 65 -5.030 8.885 1.540 547 H VAL 66 H VAL 66 -2.574 9.845 -2.095 548 HA VAL 66 HA VAL 66 -0.401 11.464 -1.623 549 HB VAL 66 HB VAL 66 -0.915 9.582 -3.899 550 1HG1 VAL 66 1HG1 VAL 66 0.827 10.452 -4.977 551 2HG1 VAL 66 2HG1 VAL 66 1.207 11.526 -3.633 552 3HG1 VAL 66 3HG1 VAL 66 1.839 9.880 -3.651 553 1HG2 VAL 66 1HG2 VAL 66 0.561 8.106 -2.656 554 2HG2 VAL 66 2HG2 VAL 66 0.827 9.364 -1.446 555 3HG2 VAL 66 3HG2 VAL 66 -0.769 8.638 -1.629 556 H TYR 67 H TYR 67 -2.566 11.470 -4.426 557 HA TYR 67 HA TYR 67 -1.278 13.485 -5.882 558 1HB TYR 67 1HB TYR 67 -3.116 11.927 -6.682 559 2HB TYR 67 2HB TYR 67 -4.258 12.989 -5.864 560 HD1 TYR 67 HD1 TYR 67 -1.432 13.224 -8.305 561 HD2 TYR 67 HD2 TYR 67 -5.273 14.626 -7.129 562 HE1 TYR 67 HE1 TYR 67 -1.510 14.663 -10.297 563 HE2 TYR 67 HE2 TYR 67 -5.363 16.066 -9.119 564 HH TYR 67 HH TYR 67 -4.356 16.194 -11.348 565 H ASN 68 H ASN 68 -3.474 13.616 -3.182 566 HA ASN 68 HA ASN 68 -3.845 16.488 -3.441 567 1HB ASN 68 1HB ASN 68 -5.016 14.348 -1.709 568 2HB ASN 68 2HB ASN 68 -5.117 16.028 -1.186 569 1HD2 ASN 68 1HD2 ASN 68 -7.873 14.690 -3.589 570 2HD2 ASN 68 2HD2 ASN 68 -6.909 13.780 -2.479 571 H LEU 69 H LEU 69 -1.823 14.265 -1.721 572 HA LEU 69 HA LEU 69 -1.228 15.752 0.561 573 1HB LEU 69 1HB LEU 69 0.463 14.258 0.951 574 2HB LEU 69 2HB LEU 69 -0.491 13.346 -0.196 575 HG LEU 69 HG LEU 69 1.115 14.301 -1.983 576 1HD1 LEU 69 1HD1 LEU 69 2.527 15.832 -1.152 577 2HD1 LEU 69 2HD1 LEU 69 2.310 15.277 0.507 578 3HD1 LEU 69 3HD1 LEU 69 3.435 14.441 -0.564 579 1HD2 LEU 69 1HD2 LEU 69 1.414 12.067 -1.787 580 2HD2 LEU 69 2HD2 LEU 69 2.912 12.560 -1.003 581 3HD2 LEU 69 3HD2 LEU 69 1.509 12.124 -0.029 582 H ARG 70 H ARG 70 -0.117 16.095 -2.729 583 HA ARG 70 HA ARG 70 1.929 17.992 -2.027 584 1HB ARG 70 1HB ARG 70 0.919 16.884 -4.623 585 2HB ARG 70 2HB ARG 70 2.006 18.267 -4.602 586 1HG ARG 70 1HG ARG 70 3.593 16.864 -3.246 587 2HG ARG 70 2HG ARG 70 2.542 15.489 -3.591 588 1HD ARG 70 1HD ARG 70 4.227 15.396 -5.222 589 2HD ARG 70 2HD ARG 70 2.830 16.084 -6.046 590 HE ARG 70 HE ARG 70 5.281 17.488 -5.285 591 1HH1 ARG 70 1HH1 ARG 70 2.448 19.061 -7.639 592 2HH1 ARG 70 2HH1 ARG 70 2.134 17.577 -6.807 593 1HH2 ARG 70 1HH2 ARG 70 4.457 20.118 -7.398 594 2HH2 ARG 70 2HH2 ARG 70 5.681 19.440 -6.381 595 H MET 71 H MET 71 -1.247 18.242 -2.030 596 HA MET 71 HA MET 71 -1.323 20.960 -3.134 597 1HB MET 71 1HB MET 71 -3.335 18.809 -2.827 598 2HB MET 71 2HB MET 71 -3.911 20.451 -2.575 599 1HG MET 71 1HG MET 71 -4.239 19.737 -4.872 600 2HG MET 71 2HG MET 71 -3.115 21.089 -4.778 601 1HE MET 71 1HE MET 71 -0.019 20.258 -5.964 602 2HE MET 71 2HE MET 71 -1.185 20.367 -7.283 603 3HE MET 71 3HE MET 71 -1.399 21.350 -5.834 604 H ASN 72 H ASN 72 -1.574 19.123 -0.205 605 HA ASN 72 HA ASN 72 -2.806 21.186 1.356 606 1HB ASN 72 1HB ASN 72 -1.378 18.627 2.077 607 2HB ASN 72 2HB ASN 72 -2.010 19.732 3.295 608 1HD2 ASN 72 1HD2 ASN 72 -4.560 17.526 0.989 609 2HD2 ASN 72 2HD2 ASN 72 -2.938 17.826 0.474 610 H LEU 73 H LEU 73 -1.880 22.729 2.613 611 HA LEU 73 HA LEU 73 1.039 23.010 2.394 612 1HB LEU 73 1HB LEU 73 -1.209 24.947 2.419 613 2HB LEU 73 2HB LEU 73 0.280 25.448 3.196 614 HG LEU 73 HG LEU 73 1.268 24.542 0.852 615 1HD1 LEU 73 1HD1 LEU 73 -0.527 25.856 -0.704 616 2HD1 LEU 73 2HD1 LEU 73 -0.445 24.104 -0.527 617 3HD1 LEU 73 3HD1 LEU 73 -1.591 25.034 0.435 618 1HD2 LEU 73 1HD2 LEU 73 0.233 27.285 0.684 619 2HD2 LEU 73 2HD2 LEU 73 1.132 26.915 2.155 620 3HD2 LEU 73 3HD2 LEU 73 1.887 26.684 0.578 621 H GLY 74 H GLY 74 -0.452 21.413 4.409 622 1HA GLY 74 1HA GLY 74 -0.098 22.913 6.879 623 2HA GLY 74 2HA GLY 74 -0.729 21.279 6.732 624 H GLY 75 H GLY 75 1.358 22.429 8.511 625 1HA GLY 75 1HA GLY 75 3.269 20.283 8.179 626 2HA GLY 75 2HA GLY 75 3.945 21.886 7.945 627 H THR 76 H THR 76 5.147 22.262 9.695 628 HA THR 76 HA THR 76 3.859 21.945 12.326 629 HB THR 76 HB THR 76 5.521 20.272 12.299 630 HG1 THR 76 HG1 THR 76 5.670 21.509 14.166 631 1HG2 THR 76 1HG2 THR 76 7.429 20.267 11.161 632 2HG2 THR 76 2HG2 THR 76 6.796 21.692 10.343 633 3HG2 THR 76 3HG2 THR 76 7.878 21.875 11.722 634 H GLY 77 H GLY 77 6.530 23.625 10.662 635 1HA GLY 77 1HA GLY 77 7.285 25.785 10.817 636 2HA GLY 77 2HA GLY 77 5.658 26.206 11.330 637 H PHE 78 H PHE 78 5.250 26.608 13.455 638 HA PHE 78 HA PHE 78 7.577 26.952 15.154 639 1HB PHE 78 1HB PHE 78 5.518 28.568 14.802 640 2HB PHE 78 2HB PHE 78 4.803 27.579 16.071 641 HD1 PHE 78 HD1 PHE 78 6.482 27.160 18.122 642 HD2 PHE 78 HD2 PHE 78 6.592 30.475 15.457 643 HE1 PHE 78 HE1 PHE 78 7.670 28.483 19.823 644 HE2 PHE 78 HE2 PHE 78 7.780 31.804 17.152 645 HZ PHE 78 HZ PHE 78 8.321 30.809 19.339 646 H GLN 79 H GLN 79 8.247 25.365 16.422 647 HA GLN 79 HA GLN 79 6.404 23.980 18.149 648 1HB GLN 79 1HB GLN 79 6.821 22.787 15.724 649 2HB GLN 79 2HB GLN 79 8.072 22.034 16.704 650 1HG GLN 79 1HG GLN 79 6.515 20.601 17.361 651 2HG GLN 79 2HG GLN 79 5.846 21.921 18.320 652 1HE2 GLN 79 1HE2 GLN 79 3.648 20.282 15.493 653 2HE2 GLN 79 2HE2 GLN 79 5.048 19.583 16.224 Start of MODEL 26 1 1H MET 1 1H MET 1 -17.990 5.552 -3.264 2 2H MET 1 2H MET 1 -19.046 4.219 -3.044 3 3H MET 1 3H MET 1 -19.309 5.675 -2.178 4 HA MET 1 HA MET 1 -18.240 4.722 -0.548 5 1HB MET 1 1HB MET 1 -17.505 2.807 -2.715 6 2HB MET 1 2HB MET 1 -16.571 2.765 -1.225 7 1HG MET 1 1HG MET 1 -18.793 2.574 -0.016 8 2HG MET 1 2HG MET 1 -19.503 2.261 -1.597 9 1HE MET 1 1HE MET 1 -20.066 -0.746 -1.578 10 2HE MET 1 2HE MET 1 -19.590 0.478 -2.754 11 3HE MET 1 3HE MET 1 -18.690 -1.036 -2.643 12 H ASP 2 H ASP 2 -16.761 5.978 0.365 13 HA ASP 2 HA ASP 2 -14.665 7.203 -1.148 14 1HB ASP 2 1HB ASP 2 -15.123 7.184 1.843 15 2HB ASP 2 2HB ASP 2 -14.034 8.261 0.971 16 H ARG 3 H ARG 3 -12.640 6.530 -1.447 17 HA ARG 3 HA ARG 3 -11.792 4.080 -0.101 18 1HB ARG 3 1HB ARG 3 -11.460 5.133 -2.720 19 2HB ARG 3 2HB ARG 3 -9.862 5.008 -2.000 20 1HG ARG 3 1HG ARG 3 -10.637 2.619 -1.337 21 2HG ARG 3 2HG ARG 3 -11.836 2.858 -2.609 22 1HD ARG 3 1HD ARG 3 -9.032 3.536 -3.266 23 2HD ARG 3 2HD ARG 3 -9.407 1.828 -3.056 24 HE ARG 3 HE ARG 3 -10.909 1.960 -4.882 25 1HH1 ARG 3 1HH1 ARG 3 -9.430 5.523 -5.963 26 2HH1 ARG 3 2HH1 ARG 3 -9.126 4.925 -4.369 27 1HH2 ARG 3 1HH2 ARG 3 -10.665 4.297 -7.439 28 2HH2 ARG 3 2HH2 ARG 3 -11.304 2.756 -6.973 29 H VAL 4 H VAL 4 -11.246 4.897 1.936 30 HA VAL 4 HA VAL 4 -8.724 6.399 1.963 31 HB VAL 4 HB VAL 4 -9.472 7.570 4.032 32 1HG1 VAL 4 1HG1 VAL 4 -10.957 9.192 2.837 33 2HG1 VAL 4 2HG1 VAL 4 -9.463 8.794 1.987 34 3HG1 VAL 4 3HG1 VAL 4 -10.986 8.068 1.478 35 1HG2 VAL 4 1HG2 VAL 4 -11.381 5.857 4.369 36 2HG2 VAL 4 2HG2 VAL 4 -11.666 7.545 4.789 37 3HG2 VAL 4 3HG2 VAL 4 -12.287 6.895 3.272 38 H LEU 5 H LEU 5 -7.202 5.435 3.065 39 HA LEU 5 HA LEU 5 -7.833 3.114 4.708 40 1HB LEU 5 1HB LEU 5 -5.597 2.490 4.466 41 2HB LEU 5 2HB LEU 5 -6.061 3.114 2.919 42 HG LEU 5 HG LEU 5 -4.618 4.848 4.892 43 1HD1 LEU 5 1HD1 LEU 5 -2.523 4.228 3.821 44 2HD1 LEU 5 2HD1 LEU 5 -3.262 2.828 4.585 45 3HD1 LEU 5 3HD1 LEU 5 -3.364 3.027 2.840 46 1HD2 LEU 5 1HD2 LEU 5 -3.883 5.364 2.274 47 2HD2 LEU 5 2HD2 LEU 5 -5.612 5.031 2.203 48 3HD2 LEU 5 3HD2 LEU 5 -5.001 6.297 3.268 49 H SER 6 H SER 6 -7.139 2.832 6.828 50 HA SER 6 HA SER 6 -7.027 5.307 8.347 51 1HB SER 6 1HB SER 6 -7.600 4.013 10.243 52 2HB SER 6 2HB SER 6 -8.515 3.298 8.915 53 HG SER 6 HG SER 6 -6.526 1.868 8.771 54 H ARG 7 H ARG 7 -5.659 4.694 10.577 55 HA ARG 7 HA ARG 7 -2.988 5.155 9.872 56 1HB ARG 7 1HB ARG 7 -3.801 3.963 12.513 57 2HB ARG 7 2HB ARG 7 -2.494 5.090 12.177 58 1HG ARG 7 1HG ARG 7 -3.815 6.778 12.713 59 2HG ARG 7 2HG ARG 7 -4.909 6.341 11.400 60 1HD ARG 7 1HD ARG 7 -6.309 5.144 12.785 61 2HD ARG 7 2HD ARG 7 -5.044 4.835 13.972 62 HE ARG 7 HE ARG 7 -6.776 7.137 13.826 63 1HH1 ARG 7 1HH1 ARG 7 -3.680 7.005 16.366 64 2HH1 ARG 7 2HH1 ARG 7 -3.776 5.858 15.073 65 1HH2 ARG 7 1HH2 ARG 7 -5.310 8.589 16.623 66 2HH2 ARG 7 2HH2 ARG 7 -6.649 8.648 15.525 67 H ALA 8 H ALA 8 -4.712 2.210 10.715 68 HA ALA 8 HA ALA 8 -2.505 0.494 10.954 69 1HB ALA 8 1HB ALA 8 -4.808 -0.040 11.700 70 2HB ALA 8 2HB ALA 8 -5.274 -0.234 10.010 71 3HB ALA 8 3HB ALA 8 -4.077 -1.314 10.725 72 H ASP 9 H ASP 9 -4.541 1.297 8.138 73 HA ASP 9 HA ASP 9 -3.332 -0.462 6.330 74 1HB ASP 9 1HB ASP 9 -4.752 2.164 5.953 75 2HB ASP 9 2HB ASP 9 -4.205 1.202 4.601 76 H LYS 10 H LYS 10 -2.736 3.053 6.689 77 HA LYS 10 HA LYS 10 -0.545 3.145 4.955 78 1HB LYS 10 1HB LYS 10 0.100 5.230 6.283 79 2HB LYS 10 2HB LYS 10 -1.475 5.224 5.511 80 1HG LYS 10 1HG LYS 10 -2.070 6.045 7.526 81 2HG LYS 10 2HG LYS 10 -2.214 4.330 7.886 82 1HD LYS 10 1HD LYS 10 -0.980 5.128 9.685 83 2HD LYS 10 2HD LYS 10 0.267 4.515 8.600 84 1HE LYS 10 1HE LYS 10 0.070 7.044 7.708 85 2HE LYS 10 2HE LYS 10 -0.361 7.282 9.401 86 1HZ LYS 10 1HZ LYS 10 1.699 6.616 10.114 87 2HZ LYS 10 2HZ LYS 10 2.014 5.684 8.739 88 3HZ LYS 10 3HZ LYS 10 2.113 7.370 8.657 89 H GLU 11 H GLU 11 -0.728 2.483 8.401 90 HA GLU 11 HA GLU 11 2.067 2.441 8.866 91 1HB GLU 11 1HB GLU 11 -0.306 1.346 10.347 92 2HB GLU 11 2HB GLU 11 1.329 0.972 10.876 93 1HG GLU 11 1HG GLU 11 0.753 3.818 10.383 94 2HG GLU 11 2HG GLU 11 -0.077 3.080 11.751 95 H ARG 12 H ARG 12 -0.267 0.014 7.858 96 HA ARG 12 HA ARG 12 1.586 -2.169 8.032 97 1HB ARG 12 1HB ARG 12 -0.846 -2.520 8.240 98 2HB ARG 12 2HB ARG 12 -1.064 -1.973 6.583 99 1HG ARG 12 1HG ARG 12 -1.156 -4.373 6.661 100 2HG ARG 12 2HG ARG 12 0.302 -3.868 5.805 101 1HD ARG 12 1HD ARG 12 1.238 -4.040 8.338 102 2HD ARG 12 2HD ARG 12 -0.001 -5.294 8.364 103 HE ARG 12 HE ARG 12 1.329 -5.879 6.115 104 1HH1 ARG 12 1HH1 ARG 12 3.873 -6.162 9.197 105 2HH1 ARG 12 2HH1 ARG 12 2.457 -5.176 9.344 106 1HH2 ARG 12 1HH2 ARG 12 4.288 -7.297 7.258 107 2HH2 ARG 12 2HH2 ARG 12 3.190 -7.178 5.925 108 H LEU 13 H LEU 13 0.487 0.068 5.572 109 HA LEU 13 HA LEU 13 1.548 -1.195 3.303 110 1HB LEU 13 1HB LEU 13 0.013 0.607 3.030 111 2HB LEU 13 2HB LEU 13 1.005 1.687 3.983 112 HG LEU 13 HG LEU 13 2.721 1.147 1.969 113 1HD1 LEU 13 1HD1 LEU 13 0.126 1.378 0.509 114 2HD1 LEU 13 2HD1 LEU 13 1.704 0.856 -0.081 115 3HD1 LEU 13 3HD1 LEU 13 0.752 -0.210 0.952 116 1HD2 LEU 13 1HD2 LEU 13 1.822 3.329 2.931 117 2HD2 LEU 13 2HD2 LEU 13 2.285 3.328 1.227 118 3HD2 LEU 13 3HD2 LEU 13 0.580 3.233 1.679 119 H LEU 14 H LEU 14 2.927 0.994 5.677 120 HA LEU 14 HA LEU 14 5.400 1.448 4.411 121 1HB LEU 14 1HB LEU 14 4.477 1.585 7.267 122 2HB LEU 14 2HB LEU 14 6.141 1.926 6.830 123 HG LEU 14 HG LEU 14 3.687 3.434 5.935 124 1HD1 LEU 14 1HD1 LEU 14 6.023 4.577 7.400 125 2HD1 LEU 14 2HD1 LEU 14 4.352 5.140 7.336 126 3HD1 LEU 14 3HD1 LEU 14 4.766 3.712 8.285 127 1HD2 LEU 14 1HD2 LEU 14 6.246 3.163 4.666 128 2HD2 LEU 14 2HD2 LEU 14 4.835 4.085 4.150 129 3HD2 LEU 14 3HD2 LEU 14 6.024 4.819 5.227 130 H GLU 15 H GLU 15 4.372 -0.938 6.823 131 HA GLU 15 HA GLU 15 6.830 -2.161 7.279 132 1HB GLU 15 1HB GLU 15 4.030 -3.288 7.339 133 2HB GLU 15 2HB GLU 15 5.441 -4.188 7.877 134 1HG GLU 15 1HG GLU 15 5.282 -1.553 9.085 135 2HG GLU 15 2HG GLU 15 3.861 -2.543 9.418 136 H LEU 16 H LEU 16 4.696 -2.362 4.557 137 HA LEU 16 HA LEU 16 6.024 -4.721 3.490 138 1HB LEU 16 1HB LEU 16 3.619 -3.126 2.777 139 2HB LEU 16 2HB LEU 16 4.428 -3.990 1.482 140 HG LEU 16 HG LEU 16 3.713 -5.465 3.980 141 1HD1 LEU 16 1HD1 LEU 16 1.690 -5.618 1.892 142 2HD1 LEU 16 2HD1 LEU 16 1.509 -5.468 3.640 143 3HD1 LEU 16 3HD1 LEU 16 1.784 -4.031 2.656 144 1HD2 LEU 16 1HD2 LEU 16 4.358 -6.070 1.151 145 2HD2 LEU 16 2HD2 LEU 16 4.845 -6.902 2.628 146 3HD2 LEU 16 3HD2 LEU 16 3.222 -7.139 1.977 147 H LEU 17 H LEU 17 5.975 -1.254 3.074 148 HA LEU 17 HA LEU 17 7.564 -1.336 0.660 149 1HB LEU 17 1HB LEU 17 6.211 0.751 2.242 150 2HB LEU 17 2HB LEU 17 7.644 1.249 1.365 151 HG LEU 17 HG LEU 17 6.637 0.487 -0.734 152 1HD1 LEU 17 1HD1 LEU 17 4.670 -0.668 1.095 153 2HD1 LEU 17 2HD1 LEU 17 3.970 0.186 -0.280 154 3HD1 LEU 17 3HD1 LEU 17 5.109 -1.133 -0.548 155 1HD2 LEU 17 1HD2 LEU 17 4.448 2.101 -0.248 156 2HD2 LEU 17 2HD2 LEU 17 5.635 2.624 0.947 157 3HD2 LEU 17 3HD2 LEU 17 6.049 2.630 -0.768 158 H LYS 18 H LYS 18 8.352 -1.892 3.782 159 HA LYS 18 HA LYS 18 10.272 -1.711 5.014 160 1HB LYS 18 1HB LYS 18 11.054 -2.133 2.244 161 2HB LYS 18 2HB LYS 18 12.279 -1.256 3.149 162 1HG LYS 18 1HG LYS 18 12.841 -3.527 3.353 163 2HG LYS 18 2HG LYS 18 12.102 -3.086 4.893 164 1HD LYS 18 1HD LYS 18 10.021 -3.943 3.173 165 2HD LYS 18 2HD LYS 18 11.328 -5.123 3.047 166 1HE LYS 18 1HE LYS 18 9.957 -4.193 5.565 167 2HE LYS 18 2HE LYS 18 9.828 -5.783 4.813 168 1HZ LYS 18 1HZ LYS 18 11.392 -6.216 6.384 169 2HZ LYS 18 2HZ LYS 18 12.424 -5.707 5.145 170 3HZ LYS 18 3HZ LYS 18 12.010 -4.641 6.392 171 H LEU 19 H LEU 19 8.787 0.704 4.025 172 HA LEU 19 HA LEU 19 10.857 2.757 4.255 173 1HB LEU 19 1HB LEU 19 9.397 2.747 2.255 174 2HB LEU 19 2HB LEU 19 8.000 2.947 3.290 175 HG LEU 19 HG LEU 19 10.052 5.003 3.681 176 1HD1 LEU 19 1HD1 LEU 19 9.341 4.254 1.000 177 2HD1 LEU 19 2HD1 LEU 19 8.760 5.879 1.362 178 3HD1 LEU 19 3HD1 LEU 19 10.461 5.485 1.566 179 1HD2 LEU 19 1HD2 LEU 19 7.101 4.789 3.435 180 2HD2 LEU 19 2HD2 LEU 19 8.078 5.546 4.692 181 3HD2 LEU 19 3HD2 LEU 19 7.856 6.353 3.139 182 HA PRO 20 HA PRO 20 9.414 2.976 8.541 183 1HB PRO 20 1HB PRO 20 11.046 5.461 8.358 184 2HB PRO 20 2HB PRO 20 11.064 4.187 9.582 185 1HG PRO 20 1HG PRO 20 12.989 4.357 7.741 186 2HG PRO 20 2HG PRO 20 12.381 2.787 8.298 187 1HD PRO 20 1HD PRO 20 11.882 4.217 5.738 188 2HD PRO 20 2HD PRO 20 11.984 2.476 6.059 189 H ARG 21 H ARG 21 8.438 4.704 9.884 190 HA ARG 21 HA ARG 21 6.510 6.204 8.310 191 1HB ARG 21 1HB ARG 21 5.476 6.650 10.582 192 2HB ARG 21 2HB ARG 21 5.500 4.974 10.059 193 1HG ARG 21 1HG ARG 21 6.357 4.523 12.061 194 2HG ARG 21 2HG ARG 21 7.859 5.214 11.451 195 1HD ARG 21 1HD ARG 21 7.250 6.189 13.599 196 2HD ARG 21 2HD ARG 21 7.219 7.399 12.318 197 HE ARG 21 HE ARG 21 4.646 6.440 12.506 198 1HH1 ARG 21 1HH1 ARG 21 5.679 8.811 15.563 199 2HH1 ARG 21 2HH1 ARG 21 6.911 8.024 14.635 200 1HH2 ARG 21 1HH2 ARG 21 3.472 8.498 15.049 201 2HH2 ARG 21 2HH2 ARG 21 3.024 7.473 13.726 202 H GLN 22 H GLN 22 9.498 6.775 9.629 203 HA GLN 22 HA GLN 22 9.126 9.403 10.669 204 1HB GLN 22 1HB GLN 22 11.021 7.751 11.167 205 2HB GLN 22 2HB GLN 22 11.713 8.266 9.636 206 1HG GLN 22 1HG GLN 22 10.958 10.375 11.574 207 2HG GLN 22 2HG GLN 22 12.366 9.382 11.949 208 1HE2 GLN 22 1HE2 GLN 22 12.954 12.471 9.700 209 2HE2 GLN 22 2HE2 GLN 22 11.785 12.256 10.954 210 H LEU 23 H LEU 23 9.873 8.058 7.545 211 HA LEU 23 HA LEU 23 10.178 10.759 6.454 212 1HB LEU 23 1HB LEU 23 11.307 9.834 4.584 213 2HB LEU 23 2HB LEU 23 12.005 9.128 6.022 214 HG LEU 23 HG LEU 23 11.868 7.441 4.331 215 1HD1 LEU 23 1HD1 LEU 23 9.585 6.860 6.185 216 2HD1 LEU 23 2HD1 LEU 23 10.685 5.713 5.424 217 3HD1 LEU 23 3HD1 LEU 23 11.274 6.801 6.686 218 1HD2 LEU 23 1HD2 LEU 23 9.896 8.702 3.203 219 2HD2 LEU 23 2HD2 LEU 23 10.066 6.960 3.020 220 3HD2 LEU 23 3HD2 LEU 23 8.907 7.613 4.178 221 H TRP 24 H TRP 24 7.692 9.037 7.135 222 HA TRP 24 HA TRP 24 6.257 8.408 4.846 223 1HB TRP 24 1HB TRP 24 5.480 7.786 7.051 224 2HB TRP 24 2HB TRP 24 5.307 9.472 7.513 225 HD1 TRP 24 HD1 TRP 24 3.081 10.701 6.840 226 HE1 TRP 24 HE1 TRP 24 0.852 9.886 5.844 227 HE3 TRP 24 HE3 TRP 24 4.520 6.039 5.324 228 HZ2 TRP 24 HZ2 TRP 24 -0.167 7.566 4.588 229 HZ3 TRP 24 HZ3 TRP 24 2.859 4.581 4.231 230 HH2 TRP 24 HH2 TRP 24 0.568 5.337 3.870 231 H GLY 25 H GLY 25 6.281 9.802 3.141 232 1HA GLY 25 1HA GLY 25 4.519 11.752 2.706 233 2HA GLY 25 2HA GLY 25 5.761 12.637 3.575 234 H ASP 26 H ASP 26 7.872 10.891 2.338 235 HA ASP 26 HA ASP 26 8.283 12.523 0.000 236 1HB ASP 26 1HB ASP 26 10.113 11.856 1.593 237 2HB ASP 26 2HB ASP 26 9.973 10.214 0.974 238 H PHE 27 H PHE 27 6.823 11.960 -1.578 239 HA PHE 27 HA PHE 27 5.946 9.447 -2.279 240 1HB PHE 27 1HB PHE 27 5.071 11.628 -3.159 241 2HB PHE 27 2HB PHE 27 6.441 11.657 -4.266 242 HD1 PHE 27 HD1 PHE 27 3.682 9.379 -3.209 243 HD2 PHE 27 HD2 PHE 27 6.151 10.788 -6.375 244 HE1 PHE 27 HE1 PHE 27 2.419 7.997 -4.804 245 HE2 PHE 27 HE2 PHE 27 4.891 9.409 -7.977 246 HZ PHE 27 HZ PHE 27 3.022 8.011 -7.193 247 H GLY 28 H GLY 28 8.937 11.033 -3.192 248 1HA GLY 28 1HA GLY 28 9.654 9.216 -5.249 249 2HA GLY 28 2HA GLY 28 10.745 10.308 -4.408 250 H ARG 29 H ARG 29 10.047 9.125 -1.771 251 HA ARG 29 HA ARG 29 11.941 6.936 -1.919 252 1HB ARG 29 1HB ARG 29 12.128 8.692 -0.178 253 2HB ARG 29 2HB ARG 29 10.600 8.147 0.501 254 1HG ARG 29 1HG ARG 29 12.156 7.104 1.847 255 2HG ARG 29 2HG ARG 29 11.760 5.851 0.673 256 1HD ARG 29 1HD ARG 29 13.775 6.917 -0.636 257 2HD ARG 29 2HD ARG 29 14.242 7.443 0.983 258 HE ARG 29 HE ARG 29 13.615 4.617 0.576 259 1HH1 ARG 29 1HH1 ARG 29 17.255 5.952 1.586 260 2HH1 ARG 29 2HH1 ARG 29 16.044 7.080 1.081 261 1HH2 ARG 29 1HH2 ARG 29 16.784 3.717 1.673 262 2HH2 ARG 29 2HH2 ARG 29 15.209 3.141 1.238 263 H MET 30 H MET 30 8.522 7.382 -1.428 264 HA MET 30 HA MET 30 8.100 4.730 -0.386 265 1HB MET 30 1HB MET 30 5.657 5.279 -0.795 266 2HB MET 30 2HB MET 30 6.509 6.303 0.351 267 1HG MET 30 1HG MET 30 6.738 8.031 -1.310 268 2HG MET 30 2HG MET 30 5.992 7.001 -2.529 269 1HE MET 30 1HE MET 30 3.932 8.995 1.048 270 2HE MET 30 2HE MET 30 4.655 7.409 1.322 271 3HE MET 30 3HE MET 30 5.664 8.760 0.802 272 H GLN 31 H GLN 31 7.667 6.339 -3.514 273 HA GLN 31 HA GLN 31 6.551 4.058 -4.796 274 1HB GLN 31 1HB GLN 31 6.456 6.508 -5.573 275 2HB GLN 31 2HB GLN 31 8.074 6.244 -6.208 276 1HG GLN 31 1HG GLN 31 7.040 4.229 -7.424 277 2HG GLN 31 2HG GLN 31 5.494 4.993 -7.061 278 1HE2 GLN 31 1HE2 GLN 31 8.084 6.752 -9.700 279 2HE2 GLN 31 2HE2 GLN 31 8.662 5.668 -8.486 280 H GLN 32 H GLN 32 9.830 5.357 -4.494 281 HA GLN 32 HA GLN 32 11.100 3.513 -6.205 282 1HB GLN 32 1HB GLN 32 11.938 5.412 -4.099 283 2HB GLN 32 2HB GLN 32 13.038 4.071 -4.386 284 1HG GLN 32 1HG GLN 32 12.681 4.792 -6.904 285 2HG GLN 32 2HG GLN 32 12.312 6.341 -6.144 286 1HE2 GLN 32 1HE2 GLN 32 15.597 7.071 -5.258 287 2HE2 GLN 32 2HE2 GLN 32 13.923 7.475 -5.112 288 H ALA 33 H ALA 33 10.381 3.472 -2.754 289 HA ALA 33 HA ALA 33 11.646 0.953 -2.267 290 1HB ALA 33 1HB ALA 33 9.529 2.147 -0.511 291 2HB ALA 33 2HB ALA 33 10.929 1.175 -0.059 292 3HB ALA 33 3HB ALA 33 11.148 2.842 -0.588 293 H TYR 34 H TYR 34 8.369 2.039 -2.980 294 HA TYR 34 HA TYR 34 7.023 -0.360 -2.445 295 1HB TYR 34 1HB TYR 34 5.797 1.713 -2.788 296 2HB TYR 34 2HB TYR 34 6.368 1.810 -4.451 297 HD1 TYR 34 HD1 TYR 34 5.689 -0.093 -6.035 298 HD2 TYR 34 HD2 TYR 34 3.776 0.624 -2.297 299 HE1 TYR 34 HE1 TYR 34 3.746 -1.398 -6.786 300 HE2 TYR 34 HE2 TYR 34 1.832 -0.688 -3.044 301 HH TYR 34 HH TYR 34 1.470 -2.614 -4.809 302 H LYS 35 H LYS 35 8.276 0.900 -5.532 303 HA LYS 35 HA LYS 35 7.654 -1.373 -7.061 304 1HB LYS 35 1HB LYS 35 9.065 1.109 -7.436 305 2HB LYS 35 2HB LYS 35 9.979 -0.206 -8.164 306 1HG LYS 35 1HG LYS 35 8.441 -0.568 -9.776 307 2HG LYS 35 2HG LYS 35 7.082 -0.160 -8.726 308 1HD LYS 35 1HD LYS 35 8.015 2.255 -8.875 309 2HD LYS 35 2HD LYS 35 8.872 1.655 -10.298 310 1HE LYS 35 1HE LYS 35 5.892 1.686 -9.835 311 2HE LYS 35 2HE LYS 35 6.799 2.644 -11.004 312 1HZ LYS 35 1HZ LYS 35 5.977 -0.140 -11.129 313 2HZ LYS 35 2HZ LYS 35 6.164 0.992 -12.372 314 3HZ LYS 35 3HZ LYS 35 7.518 0.203 -11.738 315 H GLN 36 H GLN 36 10.446 -0.530 -5.104 316 HA GLN 36 HA GLN 36 12.116 -2.656 -5.950 317 1HB GLN 36 1HB GLN 36 12.785 -0.535 -4.688 318 2HB GLN 36 2HB GLN 36 12.210 -1.347 -3.237 319 1HG GLN 36 1HG GLN 36 14.160 -2.360 -3.025 320 2HG GLN 36 2HG GLN 36 13.933 -3.136 -4.593 321 1HE2 GLN 36 1HE2 GLN 36 16.263 0.206 -4.259 322 2HE2 GLN 36 2HE2 GLN 36 15.073 -0.166 -3.063 323 H GLN 37 H GLN 37 9.505 -2.415 -3.671 324 HA GLN 37 HA GLN 37 10.135 -4.970 -2.437 325 1HB GLN 37 1HB GLN 37 7.925 -2.960 -2.006 326 2HB GLN 37 2HB GLN 37 7.960 -4.521 -1.196 327 1HG GLN 37 1HG GLN 37 10.046 -2.363 -0.986 328 2HG GLN 37 2HG GLN 37 8.844 -2.776 0.233 329 1HE2 GLN 37 1HE2 GLN 37 12.348 -4.627 0.190 330 2HE2 GLN 37 2HE2 GLN 37 11.976 -3.187 -0.689 331 H SER 38 H SER 38 8.198 -3.709 -4.994 332 HA SER 38 HA SER 38 6.278 -5.814 -5.095 333 1HB SER 38 1HB SER 38 7.116 -4.158 -7.469 334 2HB SER 38 2HB SER 38 5.530 -4.840 -7.107 335 HG SER 38 HG SER 38 5.995 -2.468 -6.700 336 H LEU 39 H LEU 39 9.534 -5.428 -6.185 337 HA LEU 39 HA LEU 39 9.484 -7.469 -8.178 338 1HB LEU 39 1HB LEU 39 11.432 -5.641 -7.019 339 2HB LEU 39 2HB LEU 39 12.117 -7.220 -7.353 340 HG LEU 39 HG LEU 39 10.629 -5.587 -9.406 341 1HD1 LEU 39 1HD1 LEU 39 12.426 -4.242 -9.294 342 2HD1 LEU 39 2HD1 LEU 39 13.408 -5.445 -8.458 343 3HD1 LEU 39 3HD1 LEU 39 13.205 -5.533 -10.207 344 1HD2 LEU 39 1HD2 LEU 39 10.652 -7.541 -10.486 345 2HD2 LEU 39 2HD2 LEU 39 12.389 -7.296 -10.663 346 3HD2 LEU 39 3HD2 LEU 39 11.767 -8.265 -9.328 347 H LEU 40 H LEU 40 9.803 -7.473 -4.731 348 HA LEU 40 HA LEU 40 11.001 -10.124 -4.702 349 1HB LEU 40 1HB LEU 40 11.281 -9.870 -2.397 350 2HB LEU 40 2HB LEU 40 11.567 -8.269 -3.051 351 HG LEU 40 HG LEU 40 8.894 -8.159 -2.476 352 1HD1 LEU 40 1HD1 LEU 40 10.222 -10.039 -0.568 353 2HD1 LEU 40 2HD1 LEU 40 8.913 -8.986 -0.034 354 3HD1 LEU 40 3HD1 LEU 40 8.633 -10.153 -1.326 355 1HD2 LEU 40 1HD2 LEU 40 10.735 -7.467 -0.270 356 2HD2 LEU 40 2HD2 LEU 40 11.084 -6.753 -1.844 357 3HD2 LEU 40 3HD2 LEU 40 9.516 -6.486 -1.083 358 H LEU 41 H LEU 41 7.881 -8.656 -4.491 359 HA LEU 41 HA LEU 41 6.668 -11.107 -3.462 360 1HB LEU 41 1HB LEU 41 5.413 -8.446 -4.140 361 2HB LEU 41 2HB LEU 41 4.589 -9.801 -3.393 362 HG LEU 41 HG LEU 41 6.999 -8.792 -1.995 363 1HD1 LEU 41 1HD1 LEU 41 6.120 -6.824 -1.221 364 2HD1 LEU 41 2HD1 LEU 41 5.510 -6.819 -2.876 365 3HD1 LEU 41 3HD1 LEU 41 4.456 -7.311 -1.548 366 1HD2 LEU 41 1HD2 LEU 41 4.390 -9.230 -0.676 367 2HD2 LEU 41 2HD2 LEU 41 5.163 -10.641 -1.398 368 3HD2 LEU 41 3HD2 LEU 41 6.013 -9.701 -0.172 369 H HIS 42 H HIS 42 7.820 -10.451 -6.304 370 HA HIS 42 HA HIS 42 5.515 -10.864 -7.986 371 1HB HIS 42 1HB HIS 42 7.458 -9.469 -8.686 372 2HB HIS 42 2HB HIS 42 8.448 -10.924 -8.721 373 HD1 HIS 42 HD1 HIS 42 8.631 -11.963 -10.940 374 HD2 HIS 42 HD2 HIS 42 5.129 -9.765 -10.575 375 HE1 HIS 42 HE1 HIS 42 7.516 -12.103 -13.188 376 HE2 HIS 42 HE2 HIS 42 5.423 -10.718 -12.961 377 HA PRO 43 HA PRO 43 5.136 -15.264 -7.703 378 1HB PRO 43 1HB PRO 43 4.840 -14.935 -10.665 379 2HB PRO 43 2HB PRO 43 3.880 -15.907 -9.544 380 1HG PRO 43 1HG PRO 43 2.990 -13.548 -10.399 381 2HG PRO 43 2HG PRO 43 2.730 -14.069 -8.725 382 1HD PRO 43 1HD PRO 43 4.568 -12.009 -9.794 383 2HD PRO 43 2HD PRO 43 3.825 -12.138 -8.191 384 H ASP 44 H ASP 44 7.325 -13.836 -10.120 385 HA ASP 44 HA ASP 44 8.650 -16.349 -10.595 386 1HB ASP 44 1HB ASP 44 9.304 -13.530 -11.444 387 2HB ASP 44 2HB ASP 44 10.285 -14.922 -11.881 388 H LYS 45 H LYS 45 8.946 -13.865 -8.265 389 HA LYS 45 HA LYS 45 11.634 -14.811 -7.536 390 1HB LYS 45 1HB LYS 45 10.332 -12.305 -6.495 391 2HB LYS 45 2HB LYS 45 12.038 -12.730 -6.488 392 1HG LYS 45 1HG LYS 45 10.503 -12.308 -9.031 393 2HG LYS 45 2HG LYS 45 11.291 -10.989 -8.169 394 1HD LYS 45 1HD LYS 45 13.431 -11.920 -8.489 395 2HD LYS 45 2HD LYS 45 12.762 -13.477 -8.983 396 1HE LYS 45 1HE LYS 45 11.817 -11.304 -10.654 397 2HE LYS 45 2HE LYS 45 13.577 -11.418 -10.654 398 1HZ LYS 45 1HZ LYS 45 13.514 -13.562 -11.502 399 2HZ LYS 45 2HZ LYS 45 11.899 -13.811 -11.067 400 3HZ LYS 45 3HZ LYS 45 12.277 -12.783 -12.355 401 H GLY 46 H GLY 46 9.159 -16.210 -6.934 402 1HA GLY 46 1HA GLY 46 8.214 -17.341 -5.178 403 2HA GLY 46 2HA GLY 46 9.652 -16.910 -4.264 404 H GLY 47 H GLY 47 6.533 -15.606 -5.360 405 1HA GLY 47 1HA GLY 47 6.297 -14.275 -2.748 406 2HA GLY 47 2HA GLY 47 6.041 -13.342 -4.213 407 H SER 48 H SER 48 4.165 -13.804 -2.073 408 HA SER 48 HA SER 48 2.207 -15.652 -3.178 409 1HB SER 48 1HB SER 48 2.720 -14.442 -0.583 410 2HB SER 48 2HB SER 48 1.021 -14.307 -1.040 411 HG SER 48 HG SER 48 1.471 -16.272 0.051 412 H HIS 49 H HIS 49 0.113 -15.038 -3.820 413 HA HIS 49 HA HIS 49 0.001 -12.529 -5.199 414 1HB HIS 49 1HB HIS 49 -2.353 -13.311 -5.764 415 2HB HIS 49 2HB HIS 49 -1.041 -14.355 -6.299 416 HD1 HIS 49 HD1 HIS 49 -0.976 -16.715 -5.384 417 HD2 HIS 49 HD2 HIS 49 -3.868 -14.345 -3.572 418 HE1 HIS 49 HE1 HIS 49 -2.370 -18.291 -4.006 419 HE2 HIS 49 HE2 HIS 49 -4.168 -16.847 -2.993 420 H ALA 50 H ALA 50 -1.643 -13.937 -2.395 421 HA ALA 50 HA ALA 50 -3.479 -11.927 -1.872 422 1HB ALA 50 1HB ALA 50 -1.984 -13.640 0.110 423 2HB ALA 50 2HB ALA 50 -3.443 -12.714 0.455 424 3HB ALA 50 3HB ALA 50 -3.498 -14.050 -0.694 425 H LEU 51 H LEU 51 -0.043 -11.915 -1.481 426 HA LEU 51 HA LEU 51 -0.046 -9.635 0.311 427 1HB LEU 51 1HB LEU 51 1.954 -11.517 -0.765 428 2HB LEU 51 2HB LEU 51 2.534 -9.886 -0.493 429 HG LEU 51 HG LEU 51 1.122 -10.570 1.836 430 1HD1 LEU 51 1HD1 LEU 51 3.127 -12.689 1.681 431 2HD1 LEU 51 2HD1 LEU 51 1.503 -12.709 2.369 432 3HD1 LEU 51 3HD1 LEU 51 1.730 -12.949 0.635 433 1HD2 LEU 51 1HD2 LEU 51 3.565 -10.722 2.711 434 2HD2 LEU 51 2HD2 LEU 51 3.989 -10.213 1.077 435 3HD2 LEU 51 3HD2 LEU 51 2.956 -9.193 2.080 436 H MET 52 H MET 52 0.983 -10.335 -3.021 437 HA MET 52 HA MET 52 1.851 -7.779 -3.705 438 1HB MET 52 1HB MET 52 1.370 -10.247 -5.042 439 2HB MET 52 2HB MET 52 0.623 -8.969 -5.989 440 1HG MET 52 1HG MET 52 3.437 -8.723 -5.006 441 2HG MET 52 2HG MET 52 3.054 -9.608 -6.480 442 1HE MET 52 1HE MET 52 3.909 -6.670 -4.778 443 2HE MET 52 2HE MET 52 3.941 -5.383 -5.985 444 3HE MET 52 3HE MET 52 2.493 -5.645 -5.014 445 H GLN 53 H GLN 53 -1.389 -9.202 -3.904 446 HA GLN 53 HA GLN 53 -2.564 -6.908 -5.130 447 1HB GLN 53 1HB GLN 53 -4.715 -8.008 -4.612 448 2HB GLN 53 2HB GLN 53 -3.583 -9.087 -5.417 449 1HG GLN 53 1HG GLN 53 -3.653 -10.534 -3.743 450 2HG GLN 53 2HG GLN 53 -3.315 -9.275 -2.556 451 1HE2 GLN 53 1HE2 GLN 53 -7.109 -10.572 -3.226 452 2HE2 GLN 53 2HE2 GLN 53 -5.809 -11.003 -4.277 453 H GLU 54 H GLU 54 -2.014 -7.934 -1.838 454 HA GLU 54 HA GLU 54 -3.817 -6.114 -0.605 455 1HB GLU 54 1HB GLU 54 -2.806 -8.184 0.449 456 2HB GLU 54 2HB GLU 54 -1.314 -7.270 0.626 457 1HG GLU 54 1HG GLU 54 -2.057 -6.244 2.446 458 2HG GLU 54 2HG GLU 54 -3.582 -5.817 1.672 459 H LEU 55 H LEU 55 -0.316 -6.025 -1.223 460 HA LEU 55 HA LEU 55 0.159 -3.517 -0.056 461 1HB LEU 55 1HB LEU 55 1.960 -5.030 -0.509 462 2HB LEU 55 2HB LEU 55 1.582 -5.051 -2.218 463 HG LEU 55 HG LEU 55 2.259 -2.679 -2.376 464 1HD1 LEU 55 1HD1 LEU 55 3.702 -2.657 0.153 465 2HD1 LEU 55 2HD1 LEU 55 2.718 -1.403 -0.603 466 3HD1 LEU 55 3HD1 LEU 55 1.950 -2.665 0.362 467 1HD2 LEU 55 1HD2 LEU 55 4.270 -3.449 -2.912 468 2HD2 LEU 55 2HD2 LEU 55 4.683 -3.700 -1.215 469 3HD2 LEU 55 3HD2 LEU 55 3.843 -4.963 -2.117 470 H ASN 56 H ASN 56 -0.688 -4.469 -3.359 471 HA ASN 56 HA ASN 56 -0.435 -1.922 -4.532 472 1HB ASN 56 1HB ASN 56 -1.790 -4.473 -5.266 473 2HB ASN 56 2HB ASN 56 -2.270 -3.013 -6.128 474 1HD2 ASN 56 1HD2 ASN 56 1.460 -4.589 -6.637 475 2HD2 ASN 56 2HD2 ASN 56 0.504 -5.000 -5.257 476 H SER 57 H SER 57 -3.153 -3.559 -2.979 477 HA SER 57 HA SER 57 -5.092 -1.586 -3.554 478 1HB SER 57 1HB SER 57 -6.511 -2.742 -2.070 479 2HB SER 57 2HB SER 57 -5.446 -3.996 -2.703 480 HG SER 57 HG SER 57 -5.436 -2.769 -0.168 481 H LEU 58 H LEU 58 -2.616 -1.856 -1.130 482 HA LEU 58 HA LEU 58 -3.710 0.235 0.534 483 1HB LEU 58 1HB LEU 58 -1.353 -1.562 0.621 484 2HB LEU 58 2HB LEU 58 -1.205 -0.027 1.455 485 HG LEU 58 HG LEU 58 -3.441 -1.984 1.965 486 1HD1 LEU 58 1HD1 LEU 58 -1.793 -3.241 2.848 487 2HD1 LEU 58 2HD1 LEU 58 -0.673 -1.882 2.971 488 3HD1 LEU 58 3HD1 LEU 58 -1.933 -2.099 4.186 489 1HD2 LEU 58 1HD2 LEU 58 -3.268 -0.546 4.194 490 2HD2 LEU 58 2HD2 LEU 58 -2.632 0.651 3.067 491 3HD2 LEU 58 3HD2 LEU 58 -4.239 -0.027 2.816 492 H TRP 59 H TRP 59 -1.483 -0.030 -2.120 493 HA TRP 59 HA TRP 59 -0.407 2.629 -1.685 494 1HB TRP 59 1HB TRP 59 1.149 0.961 -2.449 495 2HB TRP 59 2HB TRP 59 0.105 0.524 -3.795 496 HD1 TRP 59 HD1 TRP 59 0.665 1.619 -6.032 497 HE1 TRP 59 HE1 TRP 59 2.137 3.581 -6.805 498 HE3 TRP 59 HE3 TRP 59 2.039 3.476 -1.456 499 HZ2 TRP 59 HZ2 TRP 59 3.679 5.632 -5.640 500 HZ3 TRP 59 HZ3 TRP 59 3.521 5.427 -1.385 501 HH2 TRP 59 HH2 TRP 59 4.324 6.486 -3.432 502 H GLY 60 H GLY 60 -3.035 1.140 -3.250 503 1HA GLY 60 1HA GLY 60 -3.333 3.073 -5.368 504 2HA GLY 60 2HA GLY 60 -4.500 1.844 -4.905 505 H THR 61 H THR 61 -5.395 2.302 -2.536 506 HA THR 61 HA THR 61 -6.983 4.597 -2.665 507 HB THR 61 HB THR 61 -6.962 2.426 -1.078 508 HG1 THR 61 HG1 THR 61 -8.673 3.370 -0.033 509 1HG2 THR 61 1HG2 THR 61 -6.871 3.491 1.293 510 2HG2 THR 61 2HG2 THR 61 -5.461 2.720 0.568 511 3HG2 THR 61 3HG2 THR 61 -5.617 4.474 0.551 512 H PHE 62 H PHE 62 -4.098 3.884 -0.852 513 HA PHE 62 HA PHE 62 -3.531 6.195 0.495 514 1HB PHE 62 1HB PHE 62 -2.132 4.212 0.605 515 2HB PHE 62 2HB PHE 62 -1.685 4.399 -1.089 516 HD1 PHE 62 HD1 PHE 62 0.651 4.175 -0.326 517 HD2 PHE 62 HD2 PHE 62 -1.824 7.424 0.888 518 HE1 PHE 62 HE1 PHE 62 2.647 5.445 0.348 519 HE2 PHE 62 HE2 PHE 62 0.172 8.697 1.559 520 HZ PHE 62 HZ PHE 62 2.407 7.700 1.286 521 H LYS 63 H LYS 63 -2.735 5.411 -2.831 522 HA LYS 63 HA LYS 63 -1.498 7.804 -3.578 523 1HB LYS 63 1HB LYS 63 -2.209 5.345 -4.743 524 2HB LYS 63 2HB LYS 63 -2.959 6.561 -5.742 525 1HG LYS 63 1HG LYS 63 -0.779 7.652 -6.030 526 2HG LYS 63 2HG LYS 63 -0.039 6.390 -5.043 527 1HD LYS 63 1HD LYS 63 -1.385 6.078 -7.720 528 2HD LYS 63 2HD LYS 63 0.318 5.823 -7.336 529 1HE LYS 63 1HE LYS 63 -0.453 3.987 -5.761 530 2HE LYS 63 2HE LYS 63 -2.044 4.151 -6.498 531 1HZ LYS 63 1HZ LYS 63 -1.168 2.539 -7.815 532 2HZ LYS 63 2HZ LYS 63 -0.629 3.886 -8.683 533 3HZ LYS 63 3HZ LYS 63 0.426 3.077 -7.639 534 H THR 64 H THR 64 -4.910 6.850 -3.575 535 HA THR 64 HA THR 64 -6.060 8.806 -5.115 536 HB THR 64 HB THR 64 -7.087 7.895 -2.417 537 HG1 THR 64 HG1 THR 64 -7.901 6.170 -3.428 538 1HG2 THR 64 1HG2 THR 64 -9.237 8.137 -4.089 539 2HG2 THR 64 2HG2 THR 64 -8.762 9.287 -2.837 540 3HG2 THR 64 3HG2 THR 64 -8.253 9.541 -4.507 541 H GLU 65 H GLU 65 -4.786 9.034 -1.869 542 HA GLU 65 HA GLU 65 -5.483 11.835 -1.602 543 1HB GLU 65 1HB GLU 65 -3.674 10.286 0.239 544 2HB GLU 65 2HB GLU 65 -4.675 11.682 0.611 545 1HG GLU 65 1HG GLU 65 -5.985 9.156 -0.264 546 2HG GLU 65 2HG GLU 65 -5.365 9.283 1.380 547 H VAL 66 H VAL 66 -2.727 9.817 -2.367 548 HA VAL 66 HA VAL 66 -0.661 11.622 -2.054 549 HB VAL 66 HB VAL 66 -0.926 9.423 -4.080 550 1HG1 VAL 66 1HG1 VAL 66 1.786 10.097 -3.403 551 2HG1 VAL 66 2HG1 VAL 66 1.027 9.982 -4.990 552 3HG1 VAL 66 3HG1 VAL 66 0.962 11.496 -4.089 553 1HG2 VAL 66 1HG2 VAL 66 0.284 8.091 -2.546 554 2HG2 VAL 66 2HG2 VAL 66 0.702 9.488 -1.552 555 3HG2 VAL 66 3HG2 VAL 66 -0.961 8.906 -1.599 556 H TYR 67 H TYR 67 -2.689 11.057 -4.907 557 HA TYR 67 HA TYR 67 -1.486 12.869 -6.637 558 1HB TYR 67 1HB TYR 67 -4.008 11.433 -6.483 559 2HB TYR 67 2HB TYR 67 -4.221 13.026 -7.199 560 HD1 TYR 67 HD1 TYR 67 -1.795 10.184 -7.433 561 HD2 TYR 67 HD2 TYR 67 -4.078 13.127 -9.489 562 HE1 TYR 67 HE1 TYR 67 -0.962 9.320 -9.579 563 HE2 TYR 67 HE2 TYR 67 -3.254 12.271 -11.641 564 HH TYR 67 HH TYR 67 -1.495 10.988 -12.564 565 H ASN 68 H ASN 68 -3.629 13.379 -3.946 566 HA ASN 68 HA ASN 68 -4.042 16.179 -4.607 567 1HB ASN 68 1HB ASN 68 -5.239 14.239 -2.718 568 2HB ASN 68 2HB ASN 68 -5.187 15.914 -2.177 569 1HD2 ASN 68 1HD2 ASN 68 -7.990 14.727 -4.718 570 2HD2 ASN 68 2HD2 ASN 68 -6.958 13.669 -3.824 571 H LEU 69 H LEU 69 -1.955 14.244 -2.636 572 HA LEU 69 HA LEU 69 -1.324 16.218 -0.699 573 1HB LEU 69 1HB LEU 69 0.190 14.725 0.147 574 2HB LEU 69 2HB LEU 69 -0.852 13.637 -0.741 575 HG LEU 69 HG LEU 69 0.861 13.859 -2.652 576 1HD1 LEU 69 1HD1 LEU 69 2.099 15.483 -0.589 577 2HD1 LEU 69 2HD1 LEU 69 3.159 14.196 -1.165 578 3HD1 LEU 69 3HD1 LEU 69 2.476 15.352 -2.308 579 1HD2 LEU 69 1HD2 LEU 69 2.407 12.437 -0.746 580 2HD2 LEU 69 2HD2 LEU 69 0.705 12.179 -0.366 581 3HD2 LEU 69 3HD2 LEU 69 1.317 11.795 -1.975 582 H ARG 70 H ARG 70 -0.567 15.974 -3.991 583 HA ARG 70 HA ARG 70 1.880 17.512 -3.762 584 1HB ARG 70 1HB ARG 70 0.496 16.698 -6.310 585 2HB ARG 70 2HB ARG 70 2.176 17.180 -6.109 586 1HG ARG 70 1HG ARG 70 2.812 15.108 -5.610 587 2HG ARG 70 2HG ARG 70 1.490 14.894 -4.461 588 1HD ARG 70 1HD ARG 70 1.096 13.280 -6.101 589 2HD ARG 70 2HD ARG 70 -0.003 14.594 -6.515 590 HE ARG 70 HE ARG 70 1.859 15.265 -8.131 591 1HH1 ARG 70 1HH1 ARG 70 1.763 11.304 -8.737 592 2HH1 ARG 70 2HH1 ARG 70 1.154 11.952 -7.255 593 1HH2 ARG 70 1HH2 ARG 70 2.609 12.691 -10.339 594 2HH2 ARG 70 2HH2 ARG 70 2.650 14.404 -10.080 595 H MET 71 H MET 71 -1.212 18.236 -3.560 596 HA MET 71 HA MET 71 -0.899 20.855 -4.869 597 1HB MET 71 1HB MET 71 -3.282 19.047 -4.659 598 2HB MET 71 2HB MET 71 -3.506 20.783 -4.834 599 1HG MET 71 1HG MET 71 -1.847 20.469 -6.842 600 2HG MET 71 2HG MET 71 -2.416 18.803 -6.764 601 1HE MET 71 1HE MET 71 -5.333 18.679 -6.167 602 2HE MET 71 2HE MET 71 -6.095 18.964 -7.731 603 3HE MET 71 3HE MET 71 -4.639 17.974 -7.628 604 H ASN 72 H ASN 72 -1.782 19.117 -1.991 605 HA ASN 72 HA ASN 72 -2.576 21.604 -0.660 606 1HB ASN 72 1HB ASN 72 -2.880 18.703 0.124 607 2HB ASN 72 2HB ASN 72 -3.255 20.038 1.211 608 1HD2 ASN 72 1HD2 ASN 72 -6.507 19.595 -0.015 609 2HD2 ASN 72 2HD2 ASN 72 -5.408 19.260 1.276 610 H LEU 73 H LEU 73 -0.037 19.262 -0.821 611 HA LEU 73 HA LEU 73 1.304 20.571 1.453 612 1HB LEU 73 1HB LEU 73 1.354 17.741 0.477 613 2HB LEU 73 2HB LEU 73 2.723 18.384 1.363 614 HG LEU 73 HG LEU 73 0.776 19.078 3.064 615 1HD1 LEU 73 1HD1 LEU 73 -0.636 17.569 1.220 616 2HD1 LEU 73 2HD1 LEU 73 -0.350 16.458 2.560 617 3HD1 LEU 73 3HD1 LEU 73 -1.156 17.998 2.849 618 1HD2 LEU 73 1HD2 LEU 73 2.031 17.765 4.336 619 2HD2 LEU 73 2HD2 LEU 73 1.321 16.333 3.593 620 3HD2 LEU 73 3HD2 LEU 73 2.763 17.067 2.892 621 H GLY 74 H GLY 74 1.565 19.518 -1.871 622 1HA GLY 74 1HA GLY 74 2.963 20.335 -3.527 623 2HA GLY 74 2HA GLY 74 3.736 21.353 -2.322 624 H GLY 75 H GLY 75 5.831 20.939 -2.182 625 1HA GLY 75 1HA GLY 75 6.696 18.117 -2.320 626 2HA GLY 75 2HA GLY 75 7.600 19.414 -3.088 627 H THR 76 H THR 76 9.314 18.365 -1.712 628 HA THR 76 HA THR 76 9.214 18.825 1.119 629 HB THR 76 HB THR 76 11.648 18.196 -0.556 630 HG1 THR 76 HG1 THR 76 10.055 16.650 -0.962 631 1HG2 THR 76 1HG2 THR 76 12.301 16.938 1.523 632 2HG2 THR 76 2HG2 THR 76 12.341 18.698 1.634 633 3HG2 THR 76 3HG2 THR 76 11.001 17.799 2.346 634 H GLY 77 H GLY 77 9.553 20.702 2.092 635 1HA GLY 77 1HA GLY 77 11.161 22.737 0.676 636 2HA GLY 77 2HA GLY 77 9.824 23.113 1.755 637 H PHE 78 H PHE 78 10.458 21.353 3.856 638 HA PHE 78 HA PHE 78 12.463 22.904 5.189 639 1HB PHE 78 1HB PHE 78 10.912 20.451 6.038 640 2HB PHE 78 2HB PHE 78 12.022 21.324 7.090 641 HD1 PHE 78 HD1 PHE 78 11.303 23.180 8.298 642 HD2 PHE 78 HD2 PHE 78 8.930 21.723 5.081 643 HE1 PHE 78 HE1 PHE 78 9.487 24.708 8.951 644 HE2 PHE 78 HE2 PHE 78 7.112 23.250 5.726 645 HZ PHE 78 HZ PHE 78 7.389 24.745 7.663 646 H GLN 79 H GLN 79 14.482 22.604 4.391 647 HA GLN 79 HA GLN 79 15.488 19.976 3.762 648 1HB GLN 79 1HB GLN 79 16.094 22.247 2.648 649 2HB GLN 79 2HB GLN 79 17.200 22.430 4.001 650 1HG GLN 79 1HG GLN 79 17.698 19.872 3.070 651 2HG GLN 79 2HG GLN 79 17.447 20.826 1.608 652 1HE2 GLN 79 1HE2 GLN 79 20.469 22.506 1.803 653 2HE2 GLN 79 2HE2 GLN 79 18.973 22.255 0.978 Start of MODEL 27 1 1H MET 1 1H MET 1 -18.551 6.984 0.231 2 2H MET 1 2H MET 1 -19.441 5.659 0.866 3 3H MET 1 3H MET 1 -17.826 5.937 1.380 4 HA MET 1 HA MET 1 -17.985 4.123 -0.165 5 1HB MET 1 1HB MET 1 -19.152 6.301 -1.896 6 2HB MET 1 2HB MET 1 -18.526 4.794 -2.555 7 1HG MET 1 1HG MET 1 -20.586 4.009 -2.303 8 2HG MET 1 2HG MET 1 -20.214 3.924 -0.583 9 1HE MET 1 1HE MET 1 -20.763 6.702 -3.098 10 2HE MET 1 2HE MET 1 -22.391 6.063 -3.328 11 3HE MET 1 3HE MET 1 -22.159 7.607 -2.507 12 H ASP 2 H ASP 2 -16.427 6.869 0.532 13 HA ASP 2 HA ASP 2 -14.606 7.116 -1.643 14 1HB ASP 2 1HB ASP 2 -15.156 8.866 0.153 15 2HB ASP 2 2HB ASP 2 -14.037 7.981 1.185 16 H ARG 3 H ARG 3 -12.524 6.362 -1.855 17 HA ARG 3 HA ARG 3 -11.922 3.959 -0.309 18 1HB ARG 3 1HB ARG 3 -11.436 4.879 -3.028 19 2HB ARG 3 2HB ARG 3 -9.979 4.234 -2.287 20 1HG ARG 3 1HG ARG 3 -10.686 2.158 -2.589 21 2HG ARG 3 2HG ARG 3 -12.191 2.500 -1.737 22 1HD ARG 3 1HD ARG 3 -13.179 2.123 -3.709 23 2HD ARG 3 2HD ARG 3 -12.602 3.733 -4.140 24 HE ARG 3 HE ARG 3 -10.641 1.742 -4.674 25 1HH1 ARG 3 1HH1 ARG 3 -13.256 2.727 -7.543 26 2HH1 ARG 3 2HH1 ARG 3 -13.595 3.139 -5.896 27 1HH2 ARG 3 1HH2 ARG 3 -11.324 1.625 -8.080 28 2HH2 ARG 3 2HH2 ARG 3 -10.193 1.199 -6.840 29 H VAL 4 H VAL 4 -11.173 4.905 1.618 30 HA VAL 4 HA VAL 4 -8.474 6.040 1.393 31 HB VAL 4 HB VAL 4 -8.962 7.533 3.332 32 1HG1 VAL 4 1HG1 VAL 4 -10.900 8.425 1.305 33 2HG1 VAL 4 2HG1 VAL 4 -9.463 9.227 1.937 34 3HG1 VAL 4 3HG1 VAL 4 -9.305 7.989 0.692 35 1HG2 VAL 4 1HG2 VAL 4 -11.096 7.885 4.161 36 2HG2 VAL 4 2HG2 VAL 4 -11.876 7.181 2.746 37 3HG2 VAL 4 3HG2 VAL 4 -11.071 6.139 3.917 38 H LEU 5 H LEU 5 -7.035 5.068 2.603 39 HA LEU 5 HA LEU 5 -7.806 2.939 4.403 40 1HB LEU 5 1HB LEU 5 -5.572 2.277 4.351 41 2HB LEU 5 2HB LEU 5 -5.914 2.819 2.744 42 HG LEU 5 HG LEU 5 -4.530 4.560 4.768 43 1HD1 LEU 5 1HD1 LEU 5 -3.078 2.710 4.528 44 2HD1 LEU 5 2HD1 LEU 5 -3.383 2.592 2.802 45 3HD1 LEU 5 3HD1 LEU 5 -2.461 3.952 3.447 46 1HD2 LEU 5 1HD2 LEU 5 -3.716 5.217 2.250 47 2HD2 LEU 5 2HD2 LEU 5 -5.405 4.788 2.013 48 3HD2 LEU 5 3HD2 LEU 5 -4.973 6.043 3.168 49 H SER 6 H SER 6 -7.159 2.744 6.570 50 HA SER 6 HA SER 6 -7.182 5.295 7.973 51 1HB SER 6 1HB SER 6 -7.532 3.879 10.004 52 2HB SER 6 2HB SER 6 -8.756 3.639 8.757 53 HG SER 6 HG SER 6 -6.466 1.993 8.940 54 H ARG 7 H ARG 7 -5.916 5.055 10.224 55 HA ARG 7 HA ARG 7 -3.219 5.412 9.660 56 1HB ARG 7 1HB ARG 7 -2.858 5.363 12.070 57 2HB ARG 7 2HB ARG 7 -4.315 6.270 11.685 58 1HG ARG 7 1HG ARG 7 -4.847 3.456 12.191 59 2HG ARG 7 2HG ARG 7 -4.088 4.271 13.558 60 1HD ARG 7 1HD ARG 7 -6.291 5.717 12.222 61 2HD ARG 7 2HD ARG 7 -6.739 4.263 13.112 62 HE ARG 7 HE ARG 7 -5.048 5.982 14.638 63 1HH1 ARG 7 1HH1 ARG 7 -9.029 6.308 14.966 64 2HH1 ARG 7 2HH1 ARG 7 -8.344 5.477 13.609 65 1HH2 ARG 7 1HH2 ARG 7 -7.669 7.215 16.565 66 2HH2 ARG 7 2HH2 ARG 7 -5.948 7.075 16.427 67 H ALA 8 H ALA 8 -4.996 2.518 10.455 68 HA ALA 8 HA ALA 8 -2.772 0.889 11.097 69 1HB ALA 8 1HB ALA 8 -4.521 -0.307 11.798 70 2HB ALA 8 2HB ALA 8 -5.631 0.533 10.717 71 3HB ALA 8 3HB ALA 8 -4.692 -0.838 10.125 72 H ASP 9 H ASP 9 -4.560 1.460 8.076 73 HA ASP 9 HA ASP 9 -3.126 -0.431 6.546 74 1HB ASP 9 1HB ASP 9 -4.837 1.946 5.905 75 2HB ASP 9 2HB ASP 9 -3.987 1.114 4.627 76 H LYS 10 H LYS 10 -2.853 3.137 6.600 77 HA LYS 10 HA LYS 10 -0.652 3.345 4.932 78 1HB LYS 10 1HB LYS 10 -0.182 5.512 6.233 79 2HB LYS 10 2HB LYS 10 -1.716 5.362 5.395 80 1HG LYS 10 1HG LYS 10 -2.548 6.111 7.334 81 2HG LYS 10 2HG LYS 10 -2.408 4.424 7.815 82 1HD LYS 10 1HD LYS 10 -1.211 5.217 9.534 83 2HD LYS 10 2HD LYS 10 0.094 5.356 8.354 84 1HE LYS 10 1HE LYS 10 -0.721 7.677 7.870 85 2HE LYS 10 2HE LYS 10 -1.823 7.508 9.237 86 1HZ LYS 10 1HZ LYS 10 -0.113 8.371 10.377 87 2HZ LYS 10 2HZ LYS 10 0.507 6.798 10.341 88 3HZ LYS 10 3HZ LYS 10 1.039 7.941 9.213 89 H GLU 11 H GLU 11 -0.709 2.949 8.454 90 HA GLU 11 HA GLU 11 2.116 3.027 8.759 91 1HB GLU 11 1HB GLU 11 -0.061 1.883 10.518 92 2HB GLU 11 2HB GLU 11 1.636 1.921 10.978 93 1HG GLU 11 1HG GLU 11 0.549 4.491 10.099 94 2HG GLU 11 2HG GLU 11 -0.176 3.844 11.569 95 H ARG 12 H ARG 12 -0.170 0.562 7.886 96 HA ARG 12 HA ARG 12 1.607 -1.653 8.330 97 1HB ARG 12 1HB ARG 12 -0.838 -1.920 8.438 98 2HB ARG 12 2HB ARG 12 -0.963 -1.475 6.741 99 1HG ARG 12 1HG ARG 12 0.628 -3.490 6.363 100 2HG ARG 12 2HG ARG 12 0.086 -3.985 7.968 101 1HD ARG 12 1HD ARG 12 -2.285 -3.603 7.047 102 2HD ARG 12 2HD ARG 12 -1.522 -3.632 5.462 103 HE ARG 12 HE ARG 12 -1.629 -5.872 7.366 104 1HH1 ARG 12 1HH1 ARG 12 -0.932 -6.247 3.440 105 2HH1 ARG 12 2HH1 ARG 12 -1.012 -4.667 4.140 106 1HH2 ARG 12 1HH2 ARG 12 -1.216 -8.104 4.739 107 2HH2 ARG 12 2HH2 ARG 12 -1.518 -7.941 6.436 108 H LEU 13 H LEU 13 0.521 0.249 5.554 109 HA LEU 13 HA LEU 13 1.793 -1.206 3.531 110 1HB LEU 13 1HB LEU 13 0.172 0.422 2.928 111 2HB LEU 13 2HB LEU 13 1.016 1.690 3.790 112 HG LEU 13 HG LEU 13 2.878 0.930 1.912 113 1HD1 LEU 13 1HD1 LEU 13 1.951 0.337 -0.061 114 2HD1 LEU 13 2HD1 LEU 13 0.715 -0.356 0.992 115 3HD1 LEU 13 3HD1 LEU 13 0.457 1.223 0.247 116 1HD2 LEU 13 1HD2 LEU 13 0.816 3.043 1.391 117 2HD2 LEU 13 2HD2 LEU 13 2.000 3.203 2.689 118 3HD2 LEU 13 3HD2 LEU 13 2.541 3.060 1.015 119 H LEU 14 H LEU 14 2.979 1.123 5.830 120 HA LEU 14 HA LEU 14 5.440 1.719 4.571 121 1HB LEU 14 1HB LEU 14 4.346 1.977 7.337 122 2HB LEU 14 2HB LEU 14 6.068 2.191 7.087 123 HG LEU 14 HG LEU 14 3.849 3.811 5.847 124 1HD1 LEU 14 1HD1 LEU 14 4.180 4.505 8.076 125 2HD1 LEU 14 2HD1 LEU 14 5.934 4.385 7.935 126 3HD1 LEU 14 3HD1 LEU 14 5.065 5.656 7.075 127 1HD2 LEU 14 1HD2 LEU 14 6.512 3.310 4.909 128 2HD2 LEU 14 2HD2 LEU 14 5.241 4.298 4.192 129 3HD2 LEU 14 3HD2 LEU 14 6.344 5.004 5.372 130 H GLU 15 H GLU 15 4.408 -0.779 6.824 131 HA GLU 15 HA GLU 15 6.920 -1.816 7.496 132 1HB GLU 15 1HB GLU 15 4.365 -3.401 7.187 133 2HB GLU 15 2HB GLU 15 5.750 -3.810 8.187 134 1HG GLU 15 1HG GLU 15 3.952 -1.430 8.598 135 2HG GLU 15 2HG GLU 15 3.868 -2.945 9.494 136 H LEU 16 H LEU 16 4.738 -2.547 4.811 137 HA LEU 16 HA LEU 16 6.467 -4.568 3.722 138 1HB LEU 16 1HB LEU 16 4.021 -3.177 2.645 139 2HB LEU 16 2HB LEU 16 4.891 -4.412 1.757 140 HG LEU 16 HG LEU 16 4.402 -5.607 4.212 141 1HD1 LEU 16 1HD1 LEU 16 1.692 -4.803 3.530 142 2HD1 LEU 16 2HD1 LEU 16 2.477 -4.929 5.105 143 3HD1 LEU 16 3HD1 LEU 16 2.673 -3.468 4.137 144 1HD2 LEU 16 1HD2 LEU 16 2.862 -7.009 2.963 145 2HD2 LEU 16 2HD2 LEU 16 2.772 -5.801 1.681 146 3HD2 LEU 16 3HD2 LEU 16 4.289 -6.646 1.993 147 H LEU 17 H LEU 17 6.309 -1.173 3.594 148 HA LEU 17 HA LEU 17 7.675 -0.954 1.042 149 1HB LEU 17 1HB LEU 17 6.358 0.905 2.925 150 2HB LEU 17 2HB LEU 17 7.695 1.559 2.001 151 HG LEU 17 HG LEU 17 5.260 1.804 1.120 152 1HD1 LEU 17 1HD1 LEU 17 6.308 2.522 -0.692 153 2HD1 LEU 17 2HD1 LEU 17 7.783 1.785 -0.068 154 3HD1 LEU 17 3HD1 LEU 17 6.743 0.877 -1.164 155 1HD2 LEU 17 1HD2 LEU 17 5.588 -0.573 -0.504 156 2HD2 LEU 17 2HD2 LEU 17 5.361 -0.963 1.200 157 3HD2 LEU 17 3HD2 LEU 17 4.169 0.023 0.356 158 H LYS 18 H LYS 18 8.601 -1.550 4.196 159 HA LYS 18 HA LYS 18 10.575 -1.359 5.335 160 1HB LYS 18 1HB LYS 18 11.208 -1.920 2.548 161 2HB LYS 18 2HB LYS 18 12.502 -1.058 3.363 162 1HG LYS 18 1HG LYS 18 13.152 -2.907 4.407 163 2HG LYS 18 2HG LYS 18 11.528 -3.171 5.042 164 1HD LYS 18 1HD LYS 18 11.975 -5.093 3.779 165 2HD LYS 18 2HD LYS 18 10.970 -4.101 2.721 166 1HE LYS 18 1HE LYS 18 12.761 -4.967 1.409 167 2HE LYS 18 2HE LYS 18 13.071 -3.250 1.662 168 1HZ LYS 18 1HZ LYS 18 14.593 -5.538 2.523 169 2HZ LYS 18 2HZ LYS 18 15.085 -3.938 2.291 170 3HZ LYS 18 3HZ LYS 18 14.350 -4.392 3.744 171 H LEU 19 H LEU 19 9.112 1.060 4.343 172 HA LEU 19 HA LEU 19 11.248 3.060 4.446 173 1HB LEU 19 1HB LEU 19 9.908 3.069 2.408 174 2HB LEU 19 2HB LEU 19 8.436 3.164 3.348 175 HG LEU 19 HG LEU 19 10.298 5.370 3.857 176 1HD1 LEU 19 1HD1 LEU 19 10.169 4.586 1.219 177 2HD1 LEU 19 2HD1 LEU 19 8.908 5.813 1.332 178 3HD1 LEU 19 3HD1 LEU 19 10.562 6.205 1.794 179 1HD2 LEU 19 1HD2 LEU 19 8.047 6.556 3.242 180 2HD2 LEU 19 2HD2 LEU 19 7.381 4.932 3.396 181 3HD2 LEU 19 3HD2 LEU 19 8.200 5.682 4.765 182 HA PRO 20 HA PRO 20 9.871 3.543 8.719 183 1HB PRO 20 1HB PRO 20 11.238 6.153 8.248 184 2HB PRO 20 2HB PRO 20 11.383 5.036 9.609 185 1HG PRO 20 1HG PRO 20 13.268 5.151 7.726 186 2HG PRO 20 2HG PRO 20 12.798 3.609 8.464 187 1HD PRO 20 1HD PRO 20 12.197 4.677 5.760 188 2HD PRO 20 2HD PRO 20 12.383 2.996 6.297 189 H ARG 21 H ARG 21 8.647 5.118 9.967 190 HA ARG 21 HA ARG 21 6.580 6.358 8.336 191 1HB ARG 21 1HB ARG 21 6.618 6.266 11.344 192 2HB ARG 21 2HB ARG 21 5.229 6.393 10.275 193 1HG ARG 21 1HG ARG 21 5.130 4.163 9.912 194 2HG ARG 21 2HG ARG 21 6.877 3.950 10.021 195 1HD ARG 21 1HD ARG 21 6.145 4.746 12.570 196 2HD ARG 21 2HD ARG 21 4.833 3.681 12.071 197 HE ARG 21 HE ARG 21 7.281 2.454 11.456 198 1HH1 ARG 21 1HH1 ARG 21 5.980 2.079 15.229 199 2HH1 ARG 21 2HH1 ARG 21 5.362 3.354 14.233 200 1HH2 ARG 21 1HH2 ARG 21 7.527 0.617 14.398 201 2HH2 ARG 21 2HH2 ARG 21 8.090 0.774 12.769 202 H GLN 22 H GLN 22 9.467 7.324 9.599 203 HA GLN 22 HA GLN 22 8.723 9.897 10.627 204 1HB GLN 22 1HB GLN 22 10.879 8.355 11.000 205 2HB GLN 22 2HB GLN 22 11.500 9.373 9.708 206 1HG GLN 22 1HG GLN 22 11.737 11.133 11.054 207 2HG GLN 22 2HG GLN 22 10.172 10.874 11.823 208 1HE2 GLN 22 1HE2 GLN 22 11.671 8.439 14.139 209 2HE2 GLN 22 2HE2 GLN 22 10.427 8.431 12.941 210 H LEU 23 H LEU 23 9.811 8.600 7.584 211 HA LEU 23 HA LEU 23 9.846 11.281 6.413 212 1HB LEU 23 1HB LEU 23 11.127 10.420 4.621 213 2HB LEU 23 2HB LEU 23 11.820 9.792 6.098 214 HG LEU 23 HG LEU 23 11.884 8.055 4.469 215 1HD1 LEU 23 1HD1 LEU 23 10.746 6.280 5.537 216 2HD1 LEU 23 2HD1 LEU 23 11.163 7.446 6.798 217 3HD1 LEU 23 3HD1 LEU 23 9.516 7.372 6.175 218 1HD2 LEU 23 1HD2 LEU 23 8.933 8.053 4.116 219 2HD2 LEU 23 2HD2 LEU 23 9.932 9.157 3.165 220 3HD2 LEU 23 3HD2 LEU 23 10.197 7.419 3.067 221 H TRP 24 H TRP 24 7.514 9.295 7.037 222 HA TRP 24 HA TRP 24 6.250 8.475 4.724 223 1HB TRP 24 1HB TRP 24 5.379 7.821 6.850 224 2HB TRP 24 2HB TRP 24 5.141 9.491 7.343 225 HD1 TRP 24 HD1 TRP 24 2.916 10.699 6.548 226 HE1 TRP 24 HE1 TRP 24 0.716 9.806 5.555 227 HE3 TRP 24 HE3 TRP 24 4.465 6.017 5.227 228 HZ2 TRP 24 HZ2 TRP 24 -0.243 7.418 4.379 229 HZ3 TRP 24 HZ3 TRP 24 2.848 4.484 4.174 230 HH2 TRP 24 HH2 TRP 24 0.546 5.176 3.758 231 H GLY 25 H GLY 25 6.172 9.769 2.954 232 1HA GLY 25 1HA GLY 25 4.253 11.546 2.408 233 2HA GLY 25 2HA GLY 25 5.429 12.568 3.216 234 H ASP 26 H ASP 26 7.645 10.878 2.052 235 HA ASP 26 HA ASP 26 7.965 12.430 -0.346 236 1HB ASP 26 1HB ASP 26 9.759 11.593 1.412 237 2HB ASP 26 2HB ASP 26 9.815 10.194 0.349 238 H PHE 27 H PHE 27 6.286 11.662 -1.700 239 HA PHE 27 HA PHE 27 5.595 9.122 -2.383 240 1HB PHE 27 1HB PHE 27 4.618 11.282 -3.281 241 2HB PHE 27 2HB PHE 27 5.927 11.288 -4.458 242 HD1 PHE 27 HD1 PHE 27 3.692 8.608 -3.142 243 HD2 PHE 27 HD2 PHE 27 5.126 10.739 -6.535 244 HE1 PHE 27 HE1 PHE 27 2.372 7.144 -4.614 245 HE2 PHE 27 HE2 PHE 27 3.808 9.279 -8.014 246 HZ PHE 27 HZ PHE 27 2.429 7.478 -7.054 247 H GLY 28 H GLY 28 8.324 10.949 -3.735 248 1HA GLY 28 1HA GLY 28 9.130 9.066 -5.643 249 2HA GLY 28 2HA GLY 28 10.177 10.261 -4.895 250 H ARG 29 H ARG 29 9.857 9.285 -2.203 251 HA ARG 29 HA ARG 29 11.859 7.239 -2.266 252 1HB ARG 29 1HB ARG 29 11.173 9.186 -0.481 253 2HB ARG 29 2HB ARG 29 10.519 7.755 0.304 254 1HG ARG 29 1HG ARG 29 12.631 6.750 0.465 255 2HG ARG 29 2HG ARG 29 13.340 7.866 -0.703 256 1HD ARG 29 1HD ARG 29 13.073 9.704 0.868 257 2HD ARG 29 2HD ARG 29 12.318 8.617 2.032 258 HE ARG 29 HE ARG 29 15.138 8.819 1.399 259 1HH1 ARG 29 1HH1 ARG 29 13.710 6.093 3.965 260 2HH1 ARG 29 2HH1 ARG 29 12.618 6.951 2.933 261 1HH2 ARG 29 1HH2 ARG 29 15.958 6.509 3.865 262 2HH2 ARG 29 2HH2 ARG 29 16.576 7.687 2.754 263 H MET 30 H MET 30 8.535 7.346 -0.981 264 HA MET 30 HA MET 30 8.374 4.662 -0.242 265 1HB MET 30 1HB MET 30 5.870 5.000 -0.487 266 2HB MET 30 2HB MET 30 6.705 6.113 0.585 267 1HG MET 30 1HG MET 30 6.715 7.801 -1.177 268 2HG MET 30 2HG MET 30 5.872 6.688 -2.245 269 1HE MET 30 1HE MET 30 4.197 8.592 1.569 270 2HE MET 30 2HE MET 30 4.815 6.945 1.706 271 3HE MET 30 3HE MET 30 5.886 8.250 1.193 272 H GLN 31 H GLN 31 7.467 6.214 -3.317 273 HA GLN 31 HA GLN 31 6.436 3.938 -4.578 274 1HB GLN 31 1HB GLN 31 6.329 6.350 -5.388 275 2HB GLN 31 2HB GLN 31 7.966 6.124 -5.989 276 1HG GLN 31 1HG GLN 31 7.112 4.197 -7.337 277 2HG GLN 31 2HG GLN 31 5.482 4.669 -6.854 278 1HE2 GLN 31 1HE2 GLN 31 7.543 6.793 -9.646 279 2HE2 GLN 31 2HE2 GLN 31 8.322 5.603 -8.663 280 H GLN 32 H GLN 32 9.728 5.116 -4.230 281 HA GLN 32 HA GLN 32 10.974 3.332 -6.016 282 1HB GLN 32 1HB GLN 32 11.813 5.142 -3.849 283 2HB GLN 32 2HB GLN 32 12.882 3.769 -4.104 284 1HG GLN 32 1HG GLN 32 12.159 4.968 -6.616 285 2HG GLN 32 2HG GLN 32 12.828 6.173 -5.517 286 1HE2 GLN 32 1HE2 GLN 32 15.710 4.891 -7.275 287 2HE2 GLN 32 2HE2 GLN 32 14.339 5.909 -7.546 288 H ALA 33 H ALA 33 10.169 3.107 -2.591 289 HA ALA 33 HA ALA 33 11.408 0.563 -2.199 290 1HB ALA 33 1HB ALA 33 9.852 2.456 -0.600 291 2HB ALA 33 2HB ALA 33 9.555 0.766 -0.196 292 3HB ALA 33 3HB ALA 33 11.195 1.412 -0.134 293 H TYR 34 H TYR 34 8.158 1.683 -2.975 294 HA TYR 34 HA TYR 34 6.737 -0.679 -2.643 295 1HB TYR 34 1HB TYR 34 5.631 1.447 -3.123 296 2HB TYR 34 2HB TYR 34 6.340 1.476 -4.735 297 HD1 TYR 34 HD1 TYR 34 5.741 -0.499 -6.297 298 HD2 TYR 34 HD2 TYR 34 3.517 0.491 -2.799 299 HE1 TYR 34 HE1 TYR 34 3.815 -1.747 -7.174 300 HE2 TYR 34 HE2 TYR 34 1.592 -0.771 -3.676 301 HH TYR 34 HH TYR 34 1.815 -2.803 -6.442 302 H LYS 35 H LYS 35 8.629 0.460 -5.396 303 HA LYS 35 HA LYS 35 8.016 -1.756 -7.080 304 1HB LYS 35 1HB LYS 35 10.195 0.332 -7.166 305 2HB LYS 35 2HB LYS 35 10.009 -0.911 -8.396 306 1HG LYS 35 1HG LYS 35 7.772 0.952 -7.679 307 2HG LYS 35 2HG LYS 35 9.005 1.376 -8.869 308 1HD LYS 35 1HD LYS 35 8.230 -0.114 -10.401 309 2HD LYS 35 2HD LYS 35 7.716 -1.269 -9.172 310 1HE LYS 35 1HE LYS 35 6.118 1.050 -8.883 311 2HE LYS 35 2HE LYS 35 6.154 0.643 -10.598 312 1HZ LYS 35 1HZ LYS 35 4.854 -0.708 -8.432 313 2HZ LYS 35 2HZ LYS 35 4.575 -0.825 -10.095 314 3HZ LYS 35 3HZ LYS 35 5.788 -1.758 -9.374 315 H GLN 36 H GLN 36 10.427 -1.101 -4.654 316 HA GLN 36 HA GLN 36 12.274 -3.120 -5.355 317 1HB GLN 36 1HB GLN 36 12.385 -1.092 -3.639 318 2HB GLN 36 2HB GLN 36 11.909 -2.343 -2.500 319 1HG GLN 36 1HG GLN 36 14.182 -2.891 -4.328 320 2HG GLN 36 2HG GLN 36 14.433 -1.792 -2.974 321 1HE2 GLN 36 1HE2 GLN 36 14.735 -5.648 -2.351 322 2HE2 GLN 36 2HE2 GLN 36 14.908 -4.826 -3.861 323 H GLN 37 H GLN 37 9.528 -3.079 -3.107 324 HA GLN 37 HA GLN 37 9.921 -5.867 -2.435 325 1HB GLN 37 1HB GLN 37 8.061 -3.702 -1.564 326 2HB GLN 37 2HB GLN 37 7.602 -5.376 -1.277 327 1HG GLN 37 1HG GLN 37 10.340 -4.742 -0.484 328 2HG GLN 37 2HG GLN 37 9.105 -3.845 0.395 329 1HE2 GLN 37 1HE2 GLN 37 9.960 -7.288 1.826 330 2HE2 GLN 37 2HE2 GLN 37 10.977 -6.096 1.100 331 H SER 38 H SER 38 8.141 -4.025 -4.725 332 HA SER 38 HA SER 38 6.013 -5.826 -5.199 333 1HB SER 38 1HB SER 38 7.109 -3.417 -6.469 334 2HB SER 38 2HB SER 38 6.382 -4.549 -7.606 335 HG SER 38 HG SER 38 4.466 -4.177 -6.775 336 H LEU 39 H LEU 39 9.321 -5.671 -6.310 337 HA LEU 39 HA LEU 39 9.004 -7.519 -8.464 338 1HB LEU 39 1HB LEU 39 11.168 -6.012 -7.224 339 2HB LEU 39 2HB LEU 39 11.671 -7.617 -7.717 340 HG LEU 39 HG LEU 39 10.370 -5.591 -9.539 341 1HD1 LEU 39 1HD1 LEU 39 12.954 -6.084 -10.406 342 2HD1 LEU 39 2HD1 LEU 39 12.373 -4.625 -9.607 343 3HD1 LEU 39 3HD1 LEU 39 13.111 -5.915 -8.659 344 1HD2 LEU 39 1HD2 LEU 39 11.816 -8.106 -10.316 345 2HD2 LEU 39 2HD2 LEU 39 10.079 -8.078 -10.017 346 3HD2 LEU 39 3HD2 LEU 39 10.767 -7.089 -11.302 347 H LEU 40 H LEU 40 9.732 -7.786 -5.057 348 HA LEU 40 HA LEU 40 10.400 -10.603 -5.297 349 1HB LEU 40 1HB LEU 40 10.616 -10.450 -2.779 350 2HB LEU 40 2HB LEU 40 11.753 -9.519 -3.732 351 HG LEU 40 HG LEU 40 9.870 -7.636 -3.318 352 1HD1 LEU 40 1HD1 LEU 40 8.872 -9.612 -1.762 353 2HD1 LEU 40 2HD1 LEU 40 9.885 -8.752 -0.606 354 3HD1 LEU 40 3HD1 LEU 40 8.616 -7.892 -1.475 355 1HD2 LEU 40 1HD2 LEU 40 12.148 -7.214 -2.877 356 2HD2 LEU 40 2HD2 LEU 40 11.302 -6.935 -1.354 357 3HD2 LEU 40 3HD2 LEU 40 12.204 -8.430 -1.601 358 H LEU 41 H LEU 41 7.589 -8.762 -4.892 359 HA LEU 41 HA LEU 41 6.188 -10.878 -3.440 360 1HB LEU 41 1HB LEU 41 5.422 -8.091 -4.274 361 2HB LEU 41 2HB LEU 41 4.237 -9.234 -3.671 362 HG LEU 41 HG LEU 41 6.682 -8.605 -2.054 363 1HD1 LEU 41 1HD1 LEU 41 4.617 -6.739 -2.774 364 2HD1 LEU 41 2HD1 LEU 41 4.579 -7.067 -1.043 365 3HD1 LEU 41 3HD1 LEU 41 6.064 -6.493 -1.797 366 1HD2 LEU 41 1HD2 LEU 41 5.608 -9.654 -0.370 367 2HD2 LEU 41 2HD2 LEU 41 4.023 -9.058 -0.863 368 3HD2 LEU 41 3HD2 LEU 41 4.746 -10.433 -1.697 369 H HIS 42 H HIS 42 6.880 -10.001 -6.609 370 HA HIS 42 HA HIS 42 4.481 -10.664 -7.935 371 1HB HIS 42 1HB HIS 42 6.625 -9.454 -8.794 372 2HB HIS 42 2HB HIS 42 7.201 -11.078 -9.145 373 HD1 HIS 42 HD1 HIS 42 7.043 -11.239 -11.613 374 HD2 HIS 42 HD2 HIS 42 3.607 -9.616 -9.937 375 HE1 HIS 42 HE1 HIS 42 5.417 -10.999 -13.515 376 HE2 HIS 42 HE2 HIS 42 3.304 -10.128 -12.452 377 HA PRO 43 HA PRO 43 4.379 -15.065 -7.294 378 1HB PRO 43 1HB PRO 43 2.928 -15.700 -9.560 379 2HB PRO 43 2HB PRO 43 2.230 -15.173 -8.026 380 1HG PRO 43 1HG PRO 43 2.811 -13.585 -10.492 381 2HG PRO 43 2HG PRO 43 1.406 -13.505 -9.411 382 1HD PRO 43 1HD PRO 43 3.348 -11.678 -9.288 383 2HD PRO 43 2HD PRO 43 2.552 -12.259 -7.816 384 H ASP 44 H ASP 44 5.841 -13.529 -9.992 385 HA ASP 44 HA ASP 44 6.725 -15.968 -11.255 386 1HB ASP 44 1HB ASP 44 6.705 -13.145 -11.896 387 2HB ASP 44 2HB ASP 44 8.286 -13.850 -12.221 388 H LYS 45 H LYS 45 7.853 -13.881 -8.754 389 HA LYS 45 HA LYS 45 10.512 -15.140 -8.862 390 1HB LYS 45 1HB LYS 45 9.784 -12.688 -7.267 391 2HB LYS 45 2HB LYS 45 11.390 -13.269 -7.687 392 1HG LYS 45 1HG LYS 45 9.448 -12.432 -9.807 393 2HG LYS 45 2HG LYS 45 10.447 -11.252 -8.956 394 1HD LYS 45 1HD LYS 45 12.425 -12.122 -9.814 395 2HD LYS 45 2HD LYS 45 11.689 -13.678 -10.196 396 1HE LYS 45 1HE LYS 45 10.286 -12.456 -11.901 397 2HE LYS 45 2HE LYS 45 11.325 -11.057 -11.628 398 1HZ LYS 45 1HZ LYS 45 13.150 -12.134 -12.527 399 2HZ LYS 45 2HZ LYS 45 12.484 -13.676 -12.335 400 3HZ LYS 45 3HZ LYS 45 11.891 -12.644 -13.537 401 H GLY 46 H GLY 46 8.060 -16.340 -7.749 402 1HA GLY 46 1HA GLY 46 7.828 -17.856 -5.992 403 2HA GLY 46 2HA GLY 46 9.194 -17.099 -5.188 404 H GLY 47 H GLY 47 7.504 -14.485 -5.870 405 1HA GLY 47 1HA GLY 47 6.543 -14.110 -3.251 406 2HA GLY 47 2HA GLY 47 6.166 -13.093 -4.632 407 H SER 48 H SER 48 4.310 -13.583 -2.641 408 HA SER 48 HA SER 48 2.510 -15.643 -3.631 409 1HB SER 48 1HB SER 48 2.742 -14.029 -1.159 410 2HB SER 48 2HB SER 48 1.101 -14.436 -1.660 411 HG SER 48 HG SER 48 2.570 -16.629 -1.897 412 H HIS 49 H HIS 49 0.314 -15.182 -4.218 413 HA HIS 49 HA HIS 49 0.102 -12.808 -5.837 414 1HB HIS 49 1HB HIS 49 -0.968 -15.370 -5.964 415 2HB HIS 49 2HB HIS 49 -2.351 -14.357 -5.566 416 HD1 HIS 49 HD1 HIS 49 -3.100 -12.626 -7.341 417 HD2 HIS 49 HD2 HIS 49 0.087 -15.012 -8.522 418 HE1 HIS 49 HE1 HIS 49 -2.878 -12.269 -9.820 419 HE2 HIS 49 HE2 HIS 49 -0.859 -13.622 -10.485 420 H ALA 50 H ALA 50 -1.452 -14.093 -2.937 421 HA ALA 50 HA ALA 50 -3.367 -12.035 -2.651 422 1HB ALA 50 1HB ALA 50 -3.692 -14.128 -1.529 423 2HB ALA 50 2HB ALA 50 -2.187 -13.933 -0.629 424 3HB ALA 50 3HB ALA 50 -3.552 -12.860 -0.310 425 H LEU 51 H LEU 51 -0.004 -12.277 -1.774 426 HA LEU 51 HA LEU 51 -0.059 -10.071 0.071 427 1HB LEU 51 1HB LEU 51 1.982 -11.906 -1.037 428 2HB LEU 51 2HB LEU 51 2.556 -10.325 -0.540 429 HG LEU 51 HG LEU 51 1.020 -11.109 1.609 430 1HD1 LEU 51 1HD1 LEU 51 2.684 -13.505 0.961 431 2HD1 LEU 51 2HD1 LEU 51 1.355 -13.339 2.108 432 3HD1 LEU 51 3HD1 LEU 51 1.025 -13.392 0.377 433 1HD2 LEU 51 1HD2 LEU 51 3.210 -11.505 2.708 434 2HD2 LEU 51 2HD2 LEU 51 3.979 -11.407 1.123 435 3HD2 LEU 51 3HD2 LEU 51 3.142 -10.002 1.786 436 H MET 52 H MET 52 1.225 -10.554 -3.219 437 HA MET 52 HA MET 52 2.141 -7.957 -3.636 438 1HB MET 52 1HB MET 52 2.714 -9.806 -5.118 439 2HB MET 52 2HB MET 52 1.042 -9.923 -5.644 440 1HG MET 52 1HG MET 52 2.090 -8.780 -7.365 441 2HG MET 52 2HG MET 52 1.312 -7.505 -6.429 442 1HE MET 52 1HE MET 52 2.491 -6.169 -4.602 443 2HE MET 52 2HE MET 52 4.060 -5.446 -4.965 444 3HE MET 52 3HE MET 52 2.716 -5.255 -6.093 445 H GLN 53 H GLN 53 -1.050 -9.366 -4.258 446 HA GLN 53 HA GLN 53 -2.158 -7.054 -5.458 447 1HB GLN 53 1HB GLN 53 -4.279 -8.145 -5.262 448 2HB GLN 53 2HB GLN 53 -3.088 -9.377 -5.647 449 1HG GLN 53 1HG GLN 53 -3.132 -10.259 -3.478 450 2HG GLN 53 2HG GLN 53 -3.935 -8.835 -2.821 451 1HE2 GLN 53 1HE2 GLN 53 -6.279 -11.179 -5.215 452 2HE2 GLN 53 2HE2 GLN 53 -4.695 -10.709 -5.716 453 H GLU 54 H GLU 54 -1.844 -8.135 -2.144 454 HA GLU 54 HA GLU 54 -3.679 -6.412 -0.920 455 1HB GLU 54 1HB GLU 54 -2.403 -8.369 0.107 456 2HB GLU 54 2HB GLU 54 -1.057 -7.254 0.303 457 1HG GLU 54 1HG GLU 54 -2.230 -7.348 2.365 458 2HG GLU 54 2HG GLU 54 -2.560 -5.780 1.633 459 H LEU 55 H LEU 55 -0.187 -5.992 -1.460 460 HA LEU 55 HA LEU 55 -0.027 -3.397 -0.385 461 1HB LEU 55 1HB LEU 55 1.951 -4.707 -0.621 462 2HB LEU 55 2HB LEU 55 1.690 -4.904 -2.342 463 HG LEU 55 HG LEU 55 1.919 -2.239 -2.279 464 1HD1 LEU 55 1HD1 LEU 55 4.088 -2.669 -0.401 465 2HD1 LEU 55 2HD1 LEU 55 2.897 -1.369 -0.479 466 3HD1 LEU 55 3HD1 LEU 55 2.504 -2.878 0.346 467 1HD2 LEU 55 1HD2 LEU 55 3.745 -2.669 -3.493 468 2HD2 LEU 55 2HD2 LEU 55 4.552 -3.479 -2.151 469 3HD2 LEU 55 3HD2 LEU 55 3.414 -4.369 -3.164 470 H ASN 56 H ASN 56 -0.748 -4.589 -3.614 471 HA ASN 56 HA ASN 56 -0.524 -2.162 -5.007 472 1HB ASN 56 1HB ASN 56 -0.960 -4.681 -5.781 473 2HB ASN 56 2HB ASN 56 -2.625 -4.108 -5.824 474 1HD2 ASN 56 1HD2 ASN 56 -0.428 -3.484 -8.963 475 2HD2 ASN 56 2HD2 ASN 56 -0.292 -4.758 -7.805 476 H SER 57 H SER 57 -3.058 -3.475 -2.997 477 HA SER 57 HA SER 57 -5.005 -1.505 -3.819 478 1HB SER 57 1HB SER 57 -4.997 -3.949 -2.238 479 2HB SER 57 2HB SER 57 -5.936 -2.671 -1.469 480 HG SER 57 HG SER 57 -7.074 -2.447 -3.456 481 H LEU 58 H LEU 58 -2.775 -2.000 -1.155 482 HA LEU 58 HA LEU 58 -3.826 0.140 0.439 483 1HB LEU 58 1HB LEU 58 -1.522 -1.727 0.594 484 2HB LEU 58 2HB LEU 58 -1.409 -0.234 1.508 485 HG LEU 58 HG LEU 58 -3.800 -2.032 1.781 486 1HD1 LEU 58 1HD1 LEU 58 -1.678 -2.258 3.805 487 2HD1 LEU 58 2HD1 LEU 58 -2.758 -3.487 3.142 488 3HD1 LEU 58 3HD1 LEU 58 -1.320 -2.998 2.244 489 1HD2 LEU 58 1HD2 LEU 58 -3.457 -0.951 4.175 490 2HD2 LEU 58 2HD2 LEU 58 -2.621 0.281 3.227 491 3HD2 LEU 58 3HD2 LEU 58 -4.308 -0.101 2.885 492 H TRP 59 H TRP 59 -1.560 -0.098 -2.157 493 HA TRP 59 HA TRP 59 -0.327 2.465 -1.569 494 1HB TRP 59 1HB TRP 59 1.146 0.750 -2.356 495 2HB TRP 59 2HB TRP 59 0.090 0.383 -3.708 496 HD1 TRP 59 HD1 TRP 59 0.787 1.363 -5.928 497 HE1 TRP 59 HE1 TRP 59 2.382 3.217 -6.718 498 HE3 TRP 59 HE3 TRP 59 2.133 3.307 -1.370 499 HZ2 TRP 59 HZ2 TRP 59 3.996 5.218 -5.585 500 HZ3 TRP 59 HZ3 TRP 59 3.715 5.180 -1.333 501 HH2 TRP 59 HH2 TRP 59 4.623 6.119 -3.393 502 H GLY 60 H GLY 60 -2.897 1.119 -3.417 503 1HA GLY 60 1HA GLY 60 -3.069 3.220 -5.370 504 2HA GLY 60 2HA GLY 60 -4.276 1.986 -5.059 505 H THR 61 H THR 61 -5.254 2.277 -2.697 506 HA THR 61 HA THR 61 -6.833 4.570 -2.703 507 HB THR 61 HB THR 61 -6.814 2.301 -1.263 508 HG1 THR 61 HG1 THR 61 -8.679 3.360 -1.274 509 1HG2 THR 61 1HG2 THR 61 -6.764 3.392 1.177 510 2HG2 THR 61 2HG2 THR 61 -5.477 2.398 0.493 511 3HG2 THR 61 3HG2 THR 61 -5.361 4.153 0.445 512 H PHE 62 H PHE 62 -3.960 3.762 -0.911 513 HA PHE 62 HA PHE 62 -3.416 6.001 0.578 514 1HB PHE 62 1HB PHE 62 -2.017 4.003 0.591 515 2HB PHE 62 2HB PHE 62 -1.538 4.304 -1.077 516 HD1 PHE 62 HD1 PHE 62 0.785 4.182 -0.548 517 HD2 PHE 62 HD2 PHE 62 -1.735 7.038 1.355 518 HE1 PHE 62 HE1 PHE 62 2.768 5.395 0.252 519 HE2 PHE 62 HE2 PHE 62 0.249 8.259 2.154 520 HZ PHE 62 HZ PHE 62 2.504 7.425 1.592 521 H LYS 63 H LYS 63 -2.533 5.378 -2.758 522 HA LYS 63 HA LYS 63 -1.293 7.787 -3.386 523 1HB LYS 63 1HB LYS 63 -2.152 5.423 -4.686 524 2HB LYS 63 2HB LYS 63 -2.759 6.759 -5.626 525 1HG LYS 63 1HG LYS 63 -0.493 7.668 -5.798 526 2HG LYS 63 2HG LYS 63 0.109 6.316 -4.837 527 1HD LYS 63 1HD LYS 63 -1.194 6.166 -7.557 528 2HD LYS 63 2HD LYS 63 0.505 5.877 -7.182 529 1HE LYS 63 1HE LYS 63 0.056 3.844 -6.145 530 2HE LYS 63 2HE LYS 63 -1.628 4.244 -5.852 531 1HZ LYS 63 1HZ LYS 63 -0.356 3.305 -8.328 532 2HZ LYS 63 2HZ LYS 63 -1.788 2.783 -7.592 533 3HZ LYS 63 3HZ LYS 63 -1.753 4.253 -8.425 534 H THR 64 H THR 64 -4.717 6.925 -3.315 535 HA THR 64 HA THR 64 -5.826 9.021 -4.736 536 HB THR 64 HB THR 64 -6.879 7.886 -2.132 537 HG1 THR 64 HG1 THR 64 -6.435 6.407 -3.978 538 1HG2 THR 64 1HG2 THR 64 -8.905 8.796 -2.533 539 2HG2 THR 64 2HG2 THR 64 -7.905 10.038 -3.292 540 3HG2 THR 64 3HG2 THR 64 -8.685 8.800 -4.282 541 H GLU 65 H GLU 65 -4.472 8.942 -1.526 542 HA GLU 65 HA GLU 65 -5.116 11.716 -0.987 543 1HB GLU 65 1HB GLU 65 -3.316 9.905 0.620 544 2HB GLU 65 2HB GLU 65 -4.143 11.354 1.168 545 1HG GLU 65 1HG GLU 65 -5.819 9.141 0.144 546 2HG GLU 65 2HG GLU 65 -5.024 8.907 1.699 547 H VAL 66 H VAL 66 -2.468 9.739 -2.083 548 HA VAL 66 HA VAL 66 -0.364 11.516 -1.705 549 HB VAL 66 HB VAL 66 -0.663 9.429 -3.845 550 1HG1 VAL 66 1HG1 VAL 66 2.030 10.147 -2.954 551 2HG1 VAL 66 2HG1 VAL 66 1.416 9.849 -4.580 552 3HG1 VAL 66 3HG1 VAL 66 1.201 11.430 -3.833 553 1HG2 VAL 66 1HG2 VAL 66 0.787 9.321 -1.201 554 2HG2 VAL 66 2HG2 VAL 66 -0.798 8.613 -1.508 555 3HG2 VAL 66 3HG2 VAL 66 0.618 8.010 -2.369 556 H TYR 67 H TYR 67 -2.745 11.270 -4.258 557 HA TYR 67 HA TYR 67 -1.505 13.019 -6.091 558 1HB TYR 67 1HB TYR 67 -4.246 11.911 -5.720 559 2HB TYR 67 2HB TYR 67 -4.071 13.320 -6.760 560 HD1 TYR 67 HD1 TYR 67 -4.332 12.563 -8.937 561 HD2 TYR 67 HD2 TYR 67 -1.832 10.377 -6.277 562 HE1 TYR 67 HE1 TYR 67 -3.631 11.113 -10.796 563 HE2 TYR 67 HE2 TYR 67 -1.124 8.921 -8.126 564 HH TYR 67 HH TYR 67 -1.652 9.657 -11.350 565 H ASN 68 H ASN 68 -3.693 13.548 -3.386 566 HA ASN 68 HA ASN 68 -3.823 16.394 -3.956 567 1HB ASN 68 1HB ASN 68 -5.434 16.521 -2.152 568 2HB ASN 68 2HB ASN 68 -5.854 15.182 -3.210 569 1HD2 ASN 68 1HD2 ASN 68 -6.233 13.221 -0.385 570 2HD2 ASN 68 2HD2 ASN 68 -6.931 13.912 -1.807 571 H LEU 69 H LEU 69 -1.810 14.297 -2.188 572 HA LEU 69 HA LEU 69 -1.224 15.899 0.049 573 1HB LEU 69 1HB LEU 69 0.460 14.427 0.531 574 2HB LEU 69 2HB LEU 69 -0.501 13.439 -0.549 575 HG LEU 69 HG LEU 69 1.095 14.220 -2.406 576 1HD1 LEU 69 1HD1 LEU 69 2.294 15.470 -0.038 577 2HD1 LEU 69 2HD1 LEU 69 3.425 14.560 -1.040 578 3HD1 LEU 69 3HD1 LEU 69 2.473 15.867 -1.747 579 1HD2 LEU 69 1HD2 LEU 69 2.744 12.650 -0.571 580 2HD2 LEU 69 2HD2 LEU 69 1.101 12.043 -0.751 581 3HD2 LEU 69 3HD2 LEU 69 2.126 12.242 -2.172 582 H ARG 70 H ARG 70 -0.077 15.931 -3.251 583 HA ARG 70 HA ARG 70 1.916 17.941 -2.705 584 1HB ARG 70 1HB ARG 70 0.984 16.737 -5.309 585 2HB ARG 70 2HB ARG 70 2.311 17.881 -5.163 586 1HG ARG 70 1HG ARG 70 2.304 15.287 -3.663 587 2HG ARG 70 2HG ARG 70 2.882 15.401 -5.326 588 1HD ARG 70 1HD ARG 70 3.972 17.469 -3.581 589 2HD ARG 70 2HD ARG 70 4.380 15.833 -3.063 590 HE ARG 70 HE ARG 70 4.820 16.517 -5.864 591 1HH1 ARG 70 1HH1 ARG 70 7.792 15.733 -3.299 592 2HH1 ARG 70 2HH1 ARG 70 6.182 15.932 -2.699 593 1HH2 ARG 70 1HH2 ARG 70 8.222 15.920 -5.534 594 2HH2 ARG 70 2HH2 ARG 70 6.935 16.258 -6.643 595 H MET 71 H MET 71 -1.267 18.073 -2.855 596 HA MET 71 HA MET 71 -1.397 20.627 -4.289 597 1HB MET 71 1HB MET 71 -3.360 18.471 -3.723 598 2HB MET 71 2HB MET 71 -3.975 20.118 -3.772 599 1HG MET 71 1HG MET 71 -2.757 20.295 -6.017 600 2HG MET 71 2HG MET 71 -2.676 18.535 -5.953 601 1HE MET 71 1HE MET 71 -5.107 19.415 -8.638 602 2HE MET 71 2HE MET 71 -5.189 21.013 -7.899 603 3HE MET 71 3HE MET 71 -3.634 20.199 -8.071 604 H ASN 72 H ASN 72 -1.521 19.227 -1.152 605 HA ASN 72 HA ASN 72 -2.806 21.548 0.038 606 1HB ASN 72 1HB ASN 72 -1.801 18.941 1.179 607 2HB ASN 72 2HB ASN 72 -2.402 20.252 2.190 608 1HD2 ASN 72 1HD2 ASN 72 -5.504 18.713 1.995 609 2HD2 ASN 72 2HD2 ASN 72 -4.145 19.156 2.968 610 H LEU 73 H LEU 73 0.104 19.751 1.016 611 HA LEU 73 HA LEU 73 1.475 22.338 1.354 612 1HB LEU 73 1HB LEU 73 0.818 21.095 3.474 613 2HB LEU 73 2HB LEU 73 1.997 19.881 3.015 614 HG LEU 73 HG LEU 73 3.735 21.714 3.013 615 1HD1 LEU 73 1HD1 LEU 73 1.799 23.477 2.951 616 2HD1 LEU 73 2HD1 LEU 73 1.866 23.304 4.705 617 3HD1 LEU 73 3HD1 LEU 73 3.299 23.820 3.816 618 1HD2 LEU 73 1HD2 LEU 73 2.873 21.798 5.768 619 2HD2 LEU 73 2HD2 LEU 73 2.686 20.180 5.091 620 3HD2 LEU 73 3HD2 LEU 73 4.258 20.979 5.047 621 H GLY 74 H GLY 74 1.800 18.924 0.521 622 1HA GLY 74 1HA GLY 74 3.203 18.007 -1.094 623 2HA GLY 74 2HA GLY 74 3.993 19.568 -1.258 624 H GLY 75 H GLY 75 3.526 17.641 1.678 625 1HA GLY 75 1HA GLY 75 5.100 16.405 2.881 626 2HA GLY 75 2HA GLY 75 6.323 16.858 1.702 627 H THR 76 H THR 76 7.916 17.869 2.728 628 HA THR 76 HA THR 76 7.459 19.396 5.122 629 HB THR 76 HB THR 76 9.996 19.956 4.644 630 HG1 THR 76 HG1 THR 76 10.940 18.270 3.416 631 1HG2 THR 76 1HG2 THR 76 10.063 18.607 6.404 632 2HG2 THR 76 2HG2 THR 76 8.705 17.643 5.825 633 3HG2 THR 76 3HG2 THR 76 10.335 17.306 5.246 634 H GLY 77 H GLY 77 7.604 21.598 5.401 635 1HA GLY 77 1HA GLY 77 6.864 23.214 3.171 636 2HA GLY 77 2HA GLY 77 7.190 23.782 4.803 637 H PHE 78 H PHE 78 9.854 22.794 5.003 638 HA PHE 78 HA PHE 78 11.196 24.843 3.437 639 1HB PHE 78 1HB PHE 78 11.772 23.322 5.906 640 2HB PHE 78 2HB PHE 78 13.172 23.718 4.916 641 HD1 PHE 78 HD1 PHE 78 14.111 25.851 4.974 642 HD2 PHE 78 HD2 PHE 78 10.243 25.210 6.629 643 HE1 PHE 78 HE1 PHE 78 14.151 28.116 5.936 644 HE2 PHE 78 HE2 PHE 78 10.275 27.474 7.592 645 HZ PHE 78 HZ PHE 78 12.231 28.930 7.245 646 H GLN 79 H GLN 79 11.826 24.297 1.445 647 HA GLN 79 HA GLN 79 12.509 21.563 0.786 648 1HB GLN 79 1HB GLN 79 11.789 23.980 -0.671 649 2HB GLN 79 2HB GLN 79 13.150 23.148 -1.410 650 1HG GLN 79 1HG GLN 79 11.082 22.401 -2.395 651 2HG GLN 79 2HG GLN 79 11.834 21.084 -1.496 652 1HE2 GLN 79 1HE2 GLN 79 8.511 22.855 0.129 653 2HE2 GLN 79 2HE2 GLN 79 9.676 23.801 -0.727 Start of MODEL 28 1 1H MET 1 1H MET 1 -15.519 9.233 3.385 2 2H MET 1 2H MET 1 -17.090 9.033 4.046 3 3H MET 1 3H MET 1 -15.748 9.293 5.083 4 HA MET 1 HA MET 1 -14.821 7.227 4.534 5 1HB MET 1 1HB MET 1 -17.409 7.622 5.721 6 2HB MET 1 2HB MET 1 -17.364 6.046 4.942 7 1HG MET 1 1HG MET 1 -16.523 5.403 6.919 8 2HG MET 1 2HG MET 1 -15.011 5.983 6.223 9 1HE MET 1 1HE MET 1 -16.518 5.443 8.966 10 2HE MET 1 2HE MET 1 -15.415 6.378 9.976 11 3HE MET 1 3HE MET 1 -17.102 6.869 9.825 12 H ASP 2 H ASP 2 -14.269 7.043 2.324 13 HA ASP 2 HA ASP 2 -16.105 5.333 0.837 14 1HB ASP 2 1HB ASP 2 -15.592 6.637 -1.273 15 2HB ASP 2 2HB ASP 2 -16.661 7.435 -0.125 16 H ARG 3 H ARG 3 -12.933 6.954 0.568 17 HA ARG 3 HA ARG 3 -11.693 4.341 0.143 18 1HB ARG 3 1HB ARG 3 -11.231 6.711 -1.680 19 2HB ARG 3 2HB ARG 3 -10.381 5.176 -1.757 20 1HG ARG 3 1HG ARG 3 -11.947 4.322 -3.060 21 2HG ARG 3 2HG ARG 3 -13.199 4.703 -1.878 22 1HD ARG 3 1HD ARG 3 -13.042 7.101 -2.810 23 2HD ARG 3 2HD ARG 3 -12.206 6.356 -4.171 24 HE ARG 3 HE ARG 3 -14.807 5.270 -3.423 25 1HH1 ARG 3 1HH1 ARG 3 -14.132 7.204 -6.867 26 2HH1 ARG 3 2HH1 ARG 3 -12.935 7.242 -5.620 27 1HH2 ARG 3 1HH2 ARG 3 -16.087 6.067 -6.552 28 2HH2 ARG 3 2HH2 ARG 3 -16.381 5.230 -5.064 29 H VAL 4 H VAL 4 -11.250 5.092 2.451 30 HA VAL 4 HA VAL 4 -8.655 6.449 2.444 31 HB VAL 4 HB VAL 4 -9.241 7.638 4.546 32 1HG1 VAL 4 1HG1 VAL 4 -9.256 8.888 2.510 33 2HG1 VAL 4 2HG1 VAL 4 -10.853 8.274 2.081 34 3HG1 VAL 4 3HG1 VAL 4 -10.668 9.372 3.449 35 1HG2 VAL 4 1HG2 VAL 4 -11.212 6.055 4.989 36 2HG2 VAL 4 2HG2 VAL 4 -11.417 7.760 5.377 37 3HG2 VAL 4 3HG2 VAL 4 -12.119 7.101 3.900 38 H LEU 5 H LEU 5 -7.212 5.196 3.334 39 HA LEU 5 HA LEU 5 -7.983 2.948 4.988 40 1HB LEU 5 1HB LEU 5 -5.889 2.091 4.594 41 2HB LEU 5 2HB LEU 5 -6.215 2.945 3.128 42 HG LEU 5 HG LEU 5 -4.428 3.880 5.367 43 1HD1 LEU 5 1HD1 LEU 5 -2.813 3.768 3.287 44 2HD1 LEU 5 2HD1 LEU 5 -3.128 2.344 4.274 45 3HD1 LEU 5 3HD1 LEU 5 -3.968 2.554 2.741 46 1HD2 LEU 5 1HD2 LEU 5 -3.921 5.757 3.951 47 2HD2 LEU 5 2HD2 LEU 5 -5.011 5.142 2.709 48 3HD2 LEU 5 3HD2 LEU 5 -5.655 5.691 4.251 49 H SER 6 H SER 6 -7.536 2.642 7.100 50 HA SER 6 HA SER 6 -7.198 4.996 8.692 51 1HB SER 6 1HB SER 6 -7.303 3.309 10.603 52 2HB SER 6 2HB SER 6 -8.710 3.373 9.542 53 HG SER 6 HG SER 6 -8.239 1.441 8.771 54 H ARG 7 H ARG 7 -5.736 4.525 10.790 55 HA ARG 7 HA ARG 7 -3.099 4.930 10.009 56 1HB ARG 7 1HB ARG 7 -3.988 5.610 12.192 57 2HB ARG 7 2HB ARG 7 -4.136 3.923 12.665 58 1HG ARG 7 1HG ARG 7 -1.949 3.722 13.134 59 2HG ARG 7 2HG ARG 7 -1.455 4.754 11.791 60 1HD ARG 7 1HD ARG 7 -2.858 6.351 13.681 61 2HD ARG 7 2HD ARG 7 -1.652 5.404 14.548 62 HE ARG 7 HE ARG 7 0.004 6.331 12.965 63 1HH1 ARG 7 1HH1 ARG 7 -2.362 9.566 12.956 64 2HH1 ARG 7 2HH1 ARG 7 -3.017 8.037 13.430 65 1HH2 ARG 7 1HH2 ARG 7 -0.173 9.740 12.336 66 2HH2 ARG 7 2HH2 ARG 7 0.850 8.342 12.338 67 H ALA 8 H ALA 8 -4.776 1.979 10.926 68 HA ALA 8 HA ALA 8 -2.508 0.312 11.100 69 1HB ALA 8 1HB ALA 8 -4.900 -1.067 10.206 70 2HB ALA 8 2HB ALA 8 -3.994 -1.230 11.711 71 3HB ALA 8 3HB ALA 8 -5.220 0.029 11.551 72 H ASP 9 H ASP 9 -4.728 1.027 8.408 73 HA ASP 9 HA ASP 9 -3.608 -0.800 6.585 74 1HB ASP 9 1HB ASP 9 -5.280 1.661 6.353 75 2HB ASP 9 2HB ASP 9 -4.612 0.948 4.903 76 H LYS 10 H LYS 10 -3.140 2.745 6.775 77 HA LYS 10 HA LYS 10 -1.122 2.878 4.850 78 1HB LYS 10 1HB LYS 10 -0.580 5.070 5.771 79 2HB LYS 10 2HB LYS 10 -2.320 4.854 5.662 80 1HG LYS 10 1HG LYS 10 -2.606 5.051 7.870 81 2HG LYS 10 2HG LYS 10 -1.186 4.075 8.237 82 1HD LYS 10 1HD LYS 10 -1.009 6.911 7.253 83 2HD LYS 10 2HD LYS 10 -1.082 6.491 8.965 84 1HE LYS 10 1HE LYS 10 0.887 4.829 7.909 85 2HE LYS 10 2HE LYS 10 1.151 6.388 7.130 86 1HZ LYS 10 1HZ LYS 10 1.558 5.612 9.875 87 2HZ LYS 10 2HZ LYS 10 2.266 6.866 8.989 88 3HZ LYS 10 3HZ LYS 10 0.748 7.086 9.699 89 H GLU 11 H GLU 11 -0.995 2.097 8.254 90 HA GLU 11 HA GLU 11 1.844 2.264 8.500 91 1HB GLU 11 1HB GLU 11 -0.376 1.157 10.166 92 2HB GLU 11 2HB GLU 11 1.267 0.641 10.513 93 1HG GLU 11 1HG GLU 11 1.263 3.468 10.230 94 2HG GLU 11 2HG GLU 11 -0.047 3.011 11.320 95 H ARG 12 H ARG 12 -0.451 -0.204 7.582 96 HA ARG 12 HA ARG 12 1.351 -2.400 7.671 97 1HB ARG 12 1HB ARG 12 -1.069 -2.731 7.734 98 2HB ARG 12 2HB ARG 12 -1.227 -2.022 6.133 99 1HG ARG 12 1HG ARG 12 -1.385 -4.419 5.989 100 2HG ARG 12 2HG ARG 12 0.097 -3.872 5.204 101 1HD ARG 12 1HD ARG 12 1.075 -5.480 6.427 102 2HD ARG 12 2HD ARG 12 0.974 -4.305 7.735 103 HE ARG 12 HE ARG 12 -0.948 -6.497 7.290 104 1HH1 ARG 12 1HH1 ARG 12 -0.044 -4.912 10.858 105 2HH1 ARG 12 2HH1 ARG 12 0.663 -4.241 9.429 106 1HH2 ARG 12 1HH2 ARG 12 -1.477 -6.681 10.714 107 2HH2 ARG 12 2HH2 ARG 12 -1.868 -7.367 9.172 108 H LEU 13 H LEU 13 0.545 0.035 5.308 109 HA LEU 13 HA LEU 13 1.691 -1.192 3.032 110 1HB LEU 13 1HB LEU 13 0.174 0.650 2.785 111 2HB LEU 13 2HB LEU 13 1.180 1.686 3.769 112 HG LEU 13 HG LEU 13 2.934 1.197 1.825 113 1HD1 LEU 13 1HD1 LEU 13 0.445 1.310 0.195 114 2HD1 LEU 13 2HD1 LEU 13 2.057 0.748 -0.245 115 3HD1 LEU 13 3HD1 LEU 13 1.020 -0.255 0.768 116 1HD2 LEU 13 1HD2 LEU 13 1.608 3.330 2.699 117 2HD2 LEU 13 2HD2 LEU 13 2.597 3.363 1.238 118 3HD2 LEU 13 3HD2 LEU 13 0.845 3.175 1.114 119 H LEU 14 H LEU 14 2.930 0.850 5.593 120 HA LEU 14 HA LEU 14 5.475 1.349 4.480 121 1HB LEU 14 1HB LEU 14 4.210 1.591 7.151 122 2HB LEU 14 2HB LEU 14 5.963 1.603 7.090 123 HG LEU 14 HG LEU 14 4.095 3.526 5.713 124 1HD1 LEU 14 1HD1 LEU 14 5.868 4.940 7.258 125 2HD1 LEU 14 2HD1 LEU 14 4.205 4.544 7.691 126 3HD1 LEU 14 3HD1 LEU 14 5.529 3.518 8.244 127 1HD2 LEU 14 1HD2 LEU 14 6.762 2.750 5.023 128 2HD2 LEU 14 2HD2 LEU 14 5.710 3.934 4.249 129 3HD2 LEU 14 3HD2 LEU 14 6.757 4.424 5.582 130 H GLU 15 H GLU 15 4.233 -1.179 6.606 131 HA GLU 15 HA GLU 15 6.609 -2.389 7.366 132 1HB GLU 15 1HB GLU 15 3.904 -3.603 6.794 133 2HB GLU 15 2HB GLU 15 5.234 -4.502 7.514 134 1HG GLU 15 1HG GLU 15 3.943 -2.044 8.679 135 2HG GLU 15 2HG GLU 15 3.658 -3.706 9.195 136 H LEU 16 H LEU 16 4.576 -3.171 4.550 137 HA LEU 16 HA LEU 16 6.471 -5.019 3.471 138 1HB LEU 16 1HB LEU 16 3.875 -3.853 2.621 139 2HB LEU 16 2HB LEU 16 4.911 -4.494 1.360 140 HG LEU 16 HG LEU 16 4.334 -6.202 3.740 141 1HD1 LEU 16 1HD1 LEU 16 2.310 -5.130 1.994 142 2HD1 LEU 16 2HD1 LEU 16 2.430 -6.879 1.813 143 3HD1 LEU 16 3HD1 LEU 16 2.141 -6.174 3.403 144 1HD2 LEU 16 1HD2 LEU 16 5.865 -6.608 1.594 145 2HD2 LEU 16 2HD2 LEU 16 4.991 -7.910 2.401 146 3HD2 LEU 16 3HD2 LEU 16 4.326 -7.173 0.943 147 H LEU 17 H LEU 17 6.311 -1.648 3.525 148 HA LEU 17 HA LEU 17 7.675 -1.259 0.991 149 1HB LEU 17 1HB LEU 17 6.378 0.473 3.005 150 2HB LEU 17 2HB LEU 17 7.715 1.179 2.121 151 HG LEU 17 HG LEU 17 5.317 1.544 1.252 152 1HD1 LEU 17 1HD1 LEU 17 7.726 1.697 0.084 153 2HD1 LEU 17 2HD1 LEU 17 6.958 0.499 -0.957 154 3HD1 LEU 17 3HD1 LEU 17 6.216 2.083 -0.742 155 1HD2 LEU 17 1HD2 LEU 17 5.302 -1.238 1.233 156 2HD2 LEU 17 2HD2 LEU 17 4.121 -0.165 0.486 157 3HD2 LEU 17 3HD2 LEU 17 5.477 -0.777 -0.461 158 H LYS 18 H LYS 18 8.561 -1.894 4.206 159 HA LYS 18 HA LYS 18 10.549 -1.771 5.334 160 1HB LYS 18 1HB LYS 18 11.181 -2.348 2.552 161 2HB LYS 18 2HB LYS 18 12.486 -1.499 3.365 162 1HG LYS 18 1HG LYS 18 13.091 -3.617 3.887 163 2HG LYS 18 2HG LYS 18 11.979 -3.333 5.229 164 1HD LYS 18 1HD LYS 18 10.165 -4.318 3.770 165 2HD LYS 18 2HD LYS 18 11.445 -4.818 2.663 166 1HE LYS 18 1HE LYS 18 11.062 -6.693 4.017 167 2HE LYS 18 2HE LYS 18 12.516 -5.951 4.681 168 1HZ LYS 18 1HZ LYS 18 10.462 -6.674 6.174 169 2HZ LYS 18 2HZ LYS 18 11.463 -5.373 6.577 170 3HZ LYS 18 3HZ LYS 18 9.977 -5.092 5.820 171 H LEU 19 H LEU 19 9.136 0.673 4.313 172 HA LEU 19 HA LEU 19 11.310 2.633 4.328 173 1HB LEU 19 1HB LEU 19 9.684 2.580 2.437 174 2HB LEU 19 2HB LEU 19 8.404 2.943 3.575 175 HG LEU 19 HG LEU 19 10.555 4.893 3.714 176 1HD1 LEU 19 1HD1 LEU 19 9.649 4.031 1.080 177 2HD1 LEU 19 2HD1 LEU 19 9.389 5.750 1.376 178 3HD1 LEU 19 3HD1 LEU 19 11.004 5.063 1.530 179 1HD2 LEU 19 1HD2 LEU 19 8.327 6.229 2.997 180 2HD2 LEU 19 2HD2 LEU 19 7.615 4.751 3.637 181 3HD2 LEU 19 3HD2 LEU 19 8.677 5.725 4.651 182 HA PRO 20 HA PRO 20 10.287 3.158 8.696 183 1HB PRO 20 1HB PRO 20 11.741 5.701 8.129 184 2HB PRO 20 2HB PRO 20 11.933 4.570 9.471 185 1HG PRO 20 1HG PRO 20 13.678 4.605 7.458 186 2HG PRO 20 2HG PRO 20 13.182 3.080 8.214 187 1HD PRO 20 1HD PRO 20 12.422 4.223 5.575 188 2HD PRO 20 2HD PRO 20 12.589 2.526 6.067 189 H ARG 21 H ARG 21 9.308 4.842 10.029 190 HA ARG 21 HA ARG 21 7.107 6.116 8.631 191 1HB ARG 21 1HB ARG 21 7.475 4.922 11.177 192 2HB ARG 21 2HB ARG 21 7.072 6.610 11.454 193 1HG ARG 21 1HG ARG 21 5.030 6.394 10.233 194 2HG ARG 21 2HG ARG 21 5.464 4.769 9.709 195 1HD ARG 21 1HD ARG 21 4.370 3.997 11.482 196 2HD ARG 21 2HD ARG 21 5.650 4.683 12.481 197 HE ARG 21 HE ARG 21 3.793 6.697 11.901 198 1HH1 ARG 21 1HH1 ARG 21 2.841 4.221 14.904 199 2HH1 ARG 21 2HH1 ARG 21 4.009 3.728 13.724 200 1HH2 ARG 21 1HH2 ARG 21 1.845 6.273 14.750 201 2HH2 ARG 21 2HH2 ARG 21 2.256 7.346 13.453 202 H GLN 22 H GLN 22 10.173 7.038 9.413 203 HA GLN 22 HA GLN 22 9.572 9.704 10.361 204 1HB GLN 22 1HB GLN 22 11.622 8.167 10.906 205 2HB GLN 22 2HB GLN 22 12.278 8.847 9.425 206 1HG GLN 22 1HG GLN 22 12.824 10.739 10.439 207 2HG GLN 22 2HG GLN 22 11.209 10.913 11.126 208 1HE2 GLN 22 1HE2 GLN 22 12.797 10.627 14.218 209 2HE2 GLN 22 2HE2 GLN 22 12.004 11.663 13.085 210 H LEU 23 H LEU 23 10.317 8.135 7.367 211 HA LEU 23 HA LEU 23 10.461 10.748 6.042 212 1HB LEU 23 1HB LEU 23 11.707 9.774 4.287 213 2HB LEU 23 2HB LEU 23 12.423 9.227 5.786 214 HG LEU 23 HG LEU 23 12.459 7.375 4.324 215 1HD1 LEU 23 1HD1 LEU 23 11.141 5.708 5.402 216 2HD1 LEU 23 2HD1 LEU 23 11.636 6.882 6.627 217 3HD1 LEU 23 3HD1 LEU 23 9.995 6.916 5.983 218 1HD2 LEU 23 1HD2 LEU 23 9.537 7.461 3.827 219 2HD2 LEU 23 2HD2 LEU 23 10.609 8.496 2.885 220 3HD2 LEU 23 3HD2 LEU 23 10.825 6.747 2.860 221 H TRP 24 H TRP 24 8.109 8.976 6.886 222 HA TRP 24 HA TRP 24 6.733 7.909 4.749 223 1HB TRP 24 1HB TRP 24 5.922 7.634 6.983 224 2HB TRP 24 2HB TRP 24 5.754 9.369 7.203 225 HD1 TRP 24 HD1 TRP 24 3.434 10.375 6.729 226 HE1 TRP 24 HE1 TRP 24 1.217 9.475 5.782 227 HE3 TRP 24 HE3 TRP 24 5.044 5.810 5.072 228 HZ2 TRP 24 HZ2 TRP 24 0.271 7.139 4.512 229 HZ3 TRP 24 HZ3 TRP 24 3.413 4.302 4.002 230 HH2 TRP 24 HH2 TRP 24 1.081 4.959 3.727 231 H GLY 25 H GLY 25 7.476 11.227 5.339 232 1HA GLY 25 1HA GLY 25 5.337 12.263 3.690 233 2HA GLY 25 2HA GLY 25 6.643 13.189 4.410 234 H ASP 26 H ASP 26 8.371 10.889 3.054 235 HA ASP 26 HA ASP 26 8.938 12.473 0.703 236 1HB ASP 26 1HB ASP 26 10.671 11.349 2.234 237 2HB ASP 26 2HB ASP 26 10.241 9.851 1.415 238 H PHE 27 H PHE 27 8.041 12.152 -1.218 239 HA PHE 27 HA PHE 27 6.398 9.849 -1.715 240 1HB PHE 27 1HB PHE 27 5.746 12.079 -2.526 241 2HB PHE 27 2HB PHE 27 7.168 12.111 -3.565 242 HD1 PHE 27 HD1 PHE 27 6.903 11.511 -5.764 243 HD2 PHE 27 HD2 PHE 27 4.217 9.939 -2.862 244 HE1 PHE 27 HE1 PHE 27 5.623 10.406 -7.552 245 HE2 PHE 27 HE2 PHE 27 2.933 8.830 -4.645 246 HZ PHE 27 HZ PHE 27 3.637 9.064 -6.994 247 H GLY 28 H GLY 28 9.429 11.124 -3.044 248 1HA GLY 28 1HA GLY 28 9.811 9.195 -5.032 249 2HA GLY 28 2HA GLY 28 11.090 10.115 -4.258 250 H ARG 29 H ARG 29 10.479 9.057 -1.590 251 HA ARG 29 HA ARG 29 12.085 6.690 -1.775 252 1HB ARG 29 1HB ARG 29 11.324 8.573 0.268 253 2HB ARG 29 2HB ARG 29 11.121 6.929 0.856 254 1HG ARG 29 1HG ARG 29 13.647 7.590 -0.549 255 2HG ARG 29 2HG ARG 29 13.408 8.231 1.078 256 1HD ARG 29 1HD ARG 29 14.490 6.185 1.413 257 2HD ARG 29 2HD ARG 29 12.793 5.840 1.732 258 HE ARG 29 HE ARG 29 13.876 5.292 -0.932 259 1HH1 ARG 29 1HH1 ARG 29 12.353 2.482 1.485 260 2HH1 ARG 29 2HH1 ARG 29 12.620 4.077 2.100 261 1HH2 ARG 29 1HH2 ARG 29 12.870 1.978 -0.679 262 2HH2 ARG 29 2HH2 ARG 29 13.533 3.190 -1.724 263 H MET 30 H MET 30 8.751 7.346 -0.685 264 HA MET 30 HA MET 30 8.089 4.754 0.064 265 1HB MET 30 1HB MET 30 5.717 5.434 -0.395 266 2HB MET 30 2HB MET 30 6.614 6.520 0.655 267 1HG MET 30 1HG MET 30 6.997 8.012 -1.267 268 2HG MET 30 2HG MET 30 6.020 6.938 -2.264 269 1HE MET 30 1HE MET 30 5.975 8.441 1.242 270 2HE MET 30 2HE MET 30 4.336 9.060 1.445 271 3HE MET 30 3HE MET 30 4.634 7.322 1.480 272 H GLN 31 H GLN 31 7.501 6.306 -3.108 273 HA GLN 31 HA GLN 31 6.426 4.032 -4.340 274 1HB GLN 31 1HB GLN 31 6.407 6.458 -5.160 275 2HB GLN 31 2HB GLN 31 8.018 6.139 -5.787 276 1HG GLN 31 1HG GLN 31 7.041 4.233 -7.080 277 2HG GLN 31 2HG GLN 31 5.448 4.797 -6.577 278 1HE2 GLN 31 1HE2 GLN 31 7.509 6.672 -9.518 279 2HE2 GLN 31 2HE2 GLN 31 8.207 5.403 -8.577 280 H GLN 32 H GLN 32 9.742 5.098 -3.884 281 HA GLN 32 HA GLN 32 11.014 3.378 -5.688 282 1HB GLN 32 1HB GLN 32 11.871 5.297 -3.983 283 2HB GLN 32 2HB GLN 32 12.388 3.863 -3.114 284 1HG GLN 32 1HG GLN 32 14.147 3.670 -4.431 285 2HG GLN 32 2HG GLN 32 13.104 3.564 -5.848 286 1HE2 GLN 32 1HE2 GLN 32 15.291 6.850 -5.137 287 2HE2 GLN 32 2HE2 GLN 32 15.369 5.426 -4.163 288 H ALA 33 H ALA 33 10.122 2.907 -2.289 289 HA ALA 33 HA ALA 33 11.190 0.268 -2.126 290 1HB ALA 33 1HB ALA 33 9.285 0.448 -0.135 291 2HB ALA 33 2HB ALA 33 10.988 0.875 0.013 292 3HB ALA 33 3HB ALA 33 9.799 2.119 -0.368 293 H TYR 34 H TYR 34 8.028 1.628 -2.864 294 HA TYR 34 HA TYR 34 6.457 -0.653 -2.714 295 1HB TYR 34 1HB TYR 34 5.533 1.593 -3.088 296 2HB TYR 34 2HB TYR 34 6.242 1.625 -4.700 297 HD1 TYR 34 HD1 TYR 34 3.321 0.902 -2.839 298 HD2 TYR 34 HD2 TYR 34 5.511 -0.333 -6.284 299 HE1 TYR 34 HE1 TYR 34 1.302 -0.164 -3.755 300 HE2 TYR 34 HE2 TYR 34 3.489 -1.382 -7.201 301 HH TYR 34 HH TYR 34 0.730 -0.831 -6.680 302 H LYS 35 H LYS 35 8.473 0.522 -5.376 303 HA LYS 35 HA LYS 35 7.776 -1.685 -7.093 304 1HB LYS 35 1HB LYS 35 9.945 0.406 -7.365 305 2HB LYS 35 2HB LYS 35 9.469 -0.732 -8.616 306 1HG LYS 35 1HG LYS 35 7.135 0.618 -7.745 307 2HG LYS 35 2HG LYS 35 8.390 1.826 -8.029 308 1HD LYS 35 1HD LYS 35 8.094 -0.299 -10.071 309 2HD LYS 35 2HD LYS 35 6.793 0.889 -9.967 310 1HE LYS 35 1HE LYS 35 8.248 2.679 -10.424 311 2HE LYS 35 2HE LYS 35 9.680 1.700 -10.109 312 1HZ LYS 35 1HZ LYS 35 9.465 0.595 -12.120 313 2HZ LYS 35 2HZ LYS 35 7.841 1.027 -12.317 314 3HZ LYS 35 3HZ LYS 35 9.055 2.187 -12.523 315 H GLN 36 H GLN 36 10.375 -0.835 -4.905 316 HA GLN 36 HA GLN 36 12.210 -2.831 -5.713 317 1HB GLN 36 1HB GLN 36 12.447 -0.712 -4.126 318 2HB GLN 36 2HB GLN 36 12.132 -1.910 -2.878 319 1HG GLN 36 1HG GLN 36 14.286 -2.239 -4.944 320 2HG GLN 36 2HG GLN 36 14.550 -1.438 -3.395 321 1HE2 GLN 36 1HE2 GLN 36 15.262 -5.199 -3.444 322 2HE2 GLN 36 2HE2 GLN 36 15.536 -3.998 -4.654 323 H GLN 37 H GLN 37 9.552 -2.785 -3.413 324 HA GLN 37 HA GLN 37 10.162 -5.458 -2.468 325 1HB GLN 37 1HB GLN 37 7.777 -3.713 -1.847 326 2HB GLN 37 2HB GLN 37 8.276 -5.157 -0.975 327 1HG GLN 37 1HG GLN 37 10.079 -2.779 -1.222 328 2HG GLN 37 2HG GLN 37 8.846 -2.878 0.034 329 1HE2 GLN 37 1HE2 GLN 37 12.348 -4.526 0.682 330 2HE2 GLN 37 2HE2 GLN 37 11.993 -3.275 -0.457 331 H SER 38 H SER 38 8.238 -3.975 -4.897 332 HA SER 38 HA SER 38 6.234 -5.966 -5.144 333 1HB SER 38 1HB SER 38 5.725 -4.951 -7.282 334 2HB SER 38 2HB SER 38 6.083 -3.668 -6.128 335 HG SER 38 HG SER 38 7.797 -4.713 -8.131 336 H LEU 39 H LEU 39 9.518 -5.702 -6.240 337 HA LEU 39 HA LEU 39 9.365 -7.727 -8.243 338 1HB LEU 39 1HB LEU 39 11.563 -6.248 -6.870 339 2HB LEU 39 2HB LEU 39 11.957 -7.698 -7.771 340 HG LEU 39 HG LEU 39 10.460 -5.379 -8.981 341 1HD1 LEU 39 1HD1 LEU 39 12.886 -4.981 -8.075 342 2HD1 LEU 39 2HD1 LEU 39 13.346 -5.878 -9.523 343 3HD1 LEU 39 3HD1 LEU 39 12.410 -4.390 -9.666 344 1HD2 LEU 39 1HD2 LEU 39 10.991 -6.397 -11.072 345 2HD2 LEU 39 2HD2 LEU 39 12.031 -7.590 -10.293 346 3HD2 LEU 39 3HD2 LEU 39 10.286 -7.640 -10.039 347 H LEU 40 H LEU 40 10.084 -7.701 -4.798 348 HA LEU 40 HA LEU 40 10.890 -10.482 -4.841 349 1HB LEU 40 1HB LEU 40 10.982 -10.209 -2.334 350 2HB LEU 40 2HB LEU 40 12.086 -9.218 -3.265 351 HG LEU 40 HG LEU 40 10.154 -7.422 -3.008 352 1HD1 LEU 40 1HD1 LEU 40 9.850 -8.812 -0.387 353 2HD1 LEU 40 2HD1 LEU 40 8.806 -7.613 -1.153 354 3HD1 LEU 40 3HD1 LEU 40 8.825 -9.274 -1.745 355 1HD2 LEU 40 1HD2 LEU 40 11.752 -7.854 -0.544 356 2HD2 LEU 40 2HD2 LEU 40 12.617 -7.645 -2.067 357 3HD2 LEU 40 3HD2 LEU 40 11.517 -6.391 -1.498 358 H LEU 41 H LEU 41 7.981 -8.750 -4.618 359 HA LEU 41 HA LEU 41 6.587 -10.926 -3.247 360 1HB LEU 41 1HB LEU 41 5.609 -8.236 -4.208 361 2HB LEU 41 2HB LEU 41 4.614 -9.422 -3.387 362 HG LEU 41 HG LEU 41 7.096 -8.438 -2.051 363 1HD1 LEU 41 1HD1 LEU 41 6.387 -6.353 -1.828 364 2HD1 LEU 41 2HD1 LEU 41 5.054 -6.705 -2.926 365 3HD1 LEU 41 3HD1 LEU 41 4.843 -6.917 -1.189 366 1HD2 LEU 41 1HD2 LEU 41 4.394 -9.361 -1.097 367 2HD2 LEU 41 2HD2 LEU 41 5.901 -10.272 -1.033 368 3HD2 LEU 41 3HD2 LEU 41 5.705 -8.820 -0.047 369 H HIS 42 H HIS 42 7.367 -9.879 -6.364 370 HA HIS 42 HA HIS 42 5.123 -10.611 -7.866 371 1HB HIS 42 1HB HIS 42 7.417 -9.412 -8.470 372 2HB HIS 42 2HB HIS 42 7.868 -11.041 -8.952 373 HD1 HIS 42 HD1 HIS 42 7.033 -11.855 -11.161 374 HD2 HIS 42 HD2 HIS 42 5.194 -8.332 -9.971 375 HE1 HIS 42 HE1 HIS 42 5.703 -11.093 -13.152 376 HE2 HIS 42 HE2 HIS 42 4.685 -8.900 -12.443 377 HA PRO 43 HA PRO 43 5.088 -15.019 -7.608 378 1HB PRO 43 1HB PRO 43 3.991 -15.649 -10.022 379 2HB PRO 43 2HB PRO 43 3.063 -15.003 -8.665 380 1HG PRO 43 1HG PRO 43 4.144 -13.586 -11.065 381 2HG PRO 43 2HG PRO 43 2.571 -13.402 -10.269 382 1HD PRO 43 1HD PRO 43 4.603 -11.665 -9.895 383 2HD PRO 43 2HD PRO 43 3.426 -12.033 -8.623 384 H ASP 44 H ASP 44 7.022 -13.386 -9.897 385 HA ASP 44 HA ASP 44 8.107 -15.835 -11.032 386 1HB ASP 44 1HB ASP 44 8.012 -13.090 -11.846 387 2HB ASP 44 2HB ASP 44 9.693 -13.608 -11.791 388 H LYS 45 H LYS 45 8.802 -13.578 -8.510 389 HA LYS 45 HA LYS 45 11.515 -14.651 -8.202 390 1HB LYS 45 1HB LYS 45 10.169 -12.264 -6.927 391 2HB LYS 45 2HB LYS 45 11.800 -12.799 -6.549 392 1HG LYS 45 1HG LYS 45 11.972 -10.995 -8.081 393 2HG LYS 45 2HG LYS 45 12.379 -12.472 -8.958 394 1HD LYS 45 1HD LYS 45 10.592 -12.308 -10.316 395 2HD LYS 45 2HD LYS 45 9.538 -11.740 -9.022 396 1HE LYS 45 1HE LYS 45 9.635 -9.854 -10.314 397 2HE LYS 45 2HE LYS 45 11.005 -9.563 -9.240 398 1HZ LYS 45 1HZ LYS 45 11.794 -11.078 -11.511 399 2HZ LYS 45 2HZ LYS 45 11.048 -9.637 -11.991 400 3HZ LYS 45 3HZ LYS 45 12.386 -9.592 -10.957 401 H GLY 46 H GLY 46 9.128 -16.192 -7.567 402 1HA GLY 46 1HA GLY 46 8.452 -17.660 -5.937 403 2HA GLY 46 2HA GLY 46 9.938 -17.265 -5.088 404 H GLY 47 H GLY 47 7.709 -14.719 -5.860 405 1HA GLY 47 1HA GLY 47 7.251 -14.319 -3.004 406 2HA GLY 47 2HA GLY 47 6.899 -13.168 -4.284 407 H SER 48 H SER 48 5.039 -13.496 -2.365 408 HA SER 48 HA SER 48 3.073 -15.432 -3.292 409 1HB SER 48 1HB SER 48 3.350 -13.680 -0.885 410 2HB SER 48 2HB SER 48 1.740 -14.229 -1.346 411 HG SER 48 HG SER 48 3.177 -16.369 -1.476 412 H HIS 49 H HIS 49 1.065 -14.906 -4.140 413 HA HIS 49 HA HIS 49 0.982 -12.419 -5.594 414 1HB HIS 49 1HB HIS 49 -1.228 -13.360 -6.430 415 2HB HIS 49 2HB HIS 49 0.210 -14.303 -6.805 416 HD1 HIS 49 HD1 HIS 49 0.103 -16.711 -6.217 417 HD2 HIS 49 HD2 HIS 49 -2.689 -14.468 -4.109 418 HE1 HIS 49 HE1 HIS 49 -1.278 -18.382 -4.941 419 HE2 HIS 49 HE2 HIS 49 -2.923 -16.999 -3.628 420 H ALA 50 H ALA 50 -0.815 -13.905 -2.940 421 HA ALA 50 HA ALA 50 -2.877 -12.069 -2.679 422 1HB ALA 50 1HB ALA 50 -3.365 -13.611 -1.154 423 2HB ALA 50 2HB ALA 50 -1.686 -14.144 -1.059 424 3HB ALA 50 3HB ALA 50 -2.239 -12.791 -0.071 425 H LEU 51 H LEU 51 0.439 -11.895 -1.496 426 HA LEU 51 HA LEU 51 0.091 -9.607 0.129 427 1HB LEU 51 1HB LEU 51 2.369 -11.130 -0.973 428 2HB LEU 51 2HB LEU 51 2.696 -9.461 -0.555 429 HG LEU 51 HG LEU 51 1.375 -10.373 1.678 430 1HD1 LEU 51 1HD1 LEU 51 1.707 -12.683 0.506 431 2HD1 LEU 51 2HD1 LEU 51 3.360 -12.521 1.101 432 3HD1 LEU 51 3HD1 LEU 51 2.009 -12.508 2.234 433 1HD2 LEU 51 1HD2 LEU 51 4.343 -10.338 1.143 434 2HD2 LEU 51 2HD2 LEU 51 3.359 -8.958 1.636 435 3HD2 LEU 51 3HD2 LEU 51 3.579 -10.322 2.733 436 H MET 52 H MET 52 1.393 -9.963 -3.171 437 HA MET 52 HA MET 52 1.946 -7.310 -3.703 438 1HB MET 52 1HB MET 52 1.628 -9.732 -5.226 439 2HB MET 52 2HB MET 52 0.922 -8.381 -6.103 440 1HG MET 52 1HG MET 52 3.439 -7.576 -5.033 441 2HG MET 52 2HG MET 52 3.637 -9.105 -5.885 442 1HE MET 52 1HE MET 52 2.468 -5.038 -7.566 443 2HE MET 52 2HE MET 52 1.105 -5.970 -6.947 444 3HE MET 52 3HE MET 52 2.452 -5.564 -5.883 445 H GLN 53 H GLN 53 -1.146 -8.946 -3.682 446 HA GLN 53 HA GLN 53 -2.579 -6.838 -4.989 447 1HB GLN 53 1HB GLN 53 -3.617 -9.082 -3.246 448 2HB GLN 53 2HB GLN 53 -4.591 -8.053 -4.287 449 1HG GLN 53 1HG GLN 53 -2.512 -10.048 -5.138 450 2HG GLN 53 2HG GLN 53 -4.255 -10.156 -5.368 451 1HE2 GLN 53 1HE2 GLN 53 -1.946 -7.891 -7.837 452 2HE2 GLN 53 2HE2 GLN 53 -1.333 -8.509 -6.345 453 H GLU 54 H GLU 54 -1.935 -7.761 -1.654 454 HA GLU 54 HA GLU 54 -3.695 -5.948 -0.408 455 1HB GLU 54 1HB GLU 54 -2.270 -7.960 0.535 456 2HB GLU 54 2HB GLU 54 -1.094 -6.695 0.866 457 1HG GLU 54 1HG GLU 54 -3.754 -5.962 1.748 458 2HG GLU 54 2HG GLU 54 -3.197 -7.466 2.482 459 H LEU 55 H LEU 55 -0.384 -5.636 -1.559 460 HA LEU 55 HA LEU 55 0.154 -3.124 -0.378 461 1HB LEU 55 1HB LEU 55 1.979 -4.474 -1.079 462 2HB LEU 55 2HB LEU 55 1.343 -4.612 -2.705 463 HG LEU 55 HG LEU 55 1.704 -2.033 -2.792 464 1HD1 LEU 55 1HD1 LEU 55 4.022 -1.914 -1.319 465 2HD1 LEU 55 2HD1 LEU 55 2.480 -1.174 -0.889 466 3HD1 LEU 55 3HD1 LEU 55 2.906 -2.759 -0.245 467 1HD2 LEU 55 1HD2 LEU 55 3.425 -2.539 -4.126 468 2HD2 LEU 55 2HD2 LEU 55 4.338 -3.287 -2.815 469 3HD2 LEU 55 3HD2 LEU 55 3.106 -4.215 -3.672 470 H ASN 56 H ASN 56 -0.965 -4.059 -3.617 471 HA ASN 56 HA ASN 56 -1.053 -1.498 -4.736 472 1HB ASN 56 1HB ASN 56 -2.269 -4.130 -5.350 473 2HB ASN 56 2HB ASN 56 -3.058 -2.725 -6.062 474 1HD2 ASN 56 1HD2 ASN 56 0.644 -3.892 -7.292 475 2HD2 ASN 56 2HD2 ASN 56 -0.040 -4.489 -5.823 476 H SER 57 H SER 57 -3.157 -3.040 -2.465 477 HA SER 57 HA SER 57 -5.409 -1.321 -2.936 478 1HB SER 57 1HB SER 57 -5.893 -3.491 -2.066 479 2HB SER 57 2HB SER 57 -4.748 -3.287 -0.740 480 HG SER 57 HG SER 57 -6.166 -2.112 0.325 481 H LEU 58 H LEU 58 -2.748 -1.436 -0.612 482 HA LEU 58 HA LEU 58 -3.766 0.768 0.924 483 1HB LEU 58 1HB LEU 58 -1.125 -0.678 0.926 484 2HB LEU 58 2HB LEU 58 -1.463 0.686 1.972 485 HG LEU 58 HG LEU 58 -3.086 -1.855 1.973 486 1HD1 LEU 58 1HD1 LEU 58 -0.978 -2.549 2.707 487 2HD1 LEU 58 2HD1 LEU 58 -0.680 -1.040 3.569 488 3HD1 LEU 58 3HD1 LEU 58 -1.860 -2.193 4.191 489 1HD2 LEU 58 1HD2 LEU 58 -3.692 -0.918 4.273 490 2HD2 LEU 58 2HD2 LEU 58 -3.021 0.605 3.695 491 3HD2 LEU 58 3HD2 LEU 58 -4.395 -0.122 2.865 492 H TRP 59 H TRP 59 -1.624 0.388 -1.798 493 HA TRP 59 HA TRP 59 -0.560 3.071 -1.602 494 1HB TRP 59 1HB TRP 59 0.858 1.309 -2.483 495 2HB TRP 59 2HB TRP 59 -0.326 0.928 -3.722 496 HD1 TRP 59 HD1 TRP 59 0.071 1.990 -6.000 497 HE1 TRP 59 HE1 TRP 59 1.583 3.852 -6.930 498 HE3 TRP 59 HE3 TRP 59 1.952 3.806 -1.599 499 HZ2 TRP 59 HZ2 TRP 59 3.350 5.818 -5.935 500 HZ3 TRP 59 HZ3 TRP 59 3.552 5.668 -1.687 501 HH2 TRP 59 HH2 TRP 59 4.229 6.656 -3.807 502 H GLY 60 H GLY 60 -3.207 1.417 -3.107 503 1HA GLY 60 1HA GLY 60 -3.753 3.344 -5.139 504 2HA GLY 60 2HA GLY 60 -4.861 2.114 -4.552 505 H THR 61 H THR 61 -5.551 2.639 -2.107 506 HA THR 61 HA THR 61 -7.197 4.888 -2.154 507 HB THR 61 HB THR 61 -6.886 2.825 -0.422 508 HG1 THR 61 HG1 THR 61 -8.435 3.893 0.856 509 1HG2 THR 61 1HG2 THR 61 -5.222 3.327 1.010 510 2HG2 THR 61 2HG2 THR 61 -5.451 5.067 0.846 511 3HG2 THR 61 3HG2 THR 61 -6.566 4.129 1.818 512 H PHE 62 H PHE 62 -4.084 4.331 -0.712 513 HA PHE 62 HA PHE 62 -3.402 6.753 0.390 514 1HB PHE 62 1HB PHE 62 -1.983 4.757 0.474 515 2HB PHE 62 2HB PHE 62 -1.708 4.868 -1.264 516 HD1 PHE 62 HD1 PHE 62 -1.736 8.054 0.344 517 HD2 PHE 62 HD2 PHE 62 0.705 4.663 -0.505 518 HE1 PHE 62 HE1 PHE 62 0.277 9.409 0.733 519 HE2 PHE 62 HE2 PHE 62 2.716 6.018 -0.107 520 HZ PHE 62 HZ PHE 62 2.500 8.386 0.503 521 H LYS 63 H LYS 63 -2.924 5.662 -2.918 522 HA LYS 63 HA LYS 63 -1.852 8.009 -3.975 523 1HB LYS 63 1HB LYS 63 -2.716 5.447 -4.904 524 2HB LYS 63 2HB LYS 63 -3.345 6.672 -5.977 525 1HG LYS 63 1HG LYS 63 -1.083 7.558 -6.289 526 2HG LYS 63 2HG LYS 63 -0.460 6.297 -5.224 527 1HD LYS 63 1HD LYS 63 -1.804 5.937 -7.899 528 2HD LYS 63 2HD LYS 63 -0.122 5.597 -7.492 529 1HE LYS 63 1HE LYS 63 -0.779 3.496 -7.129 530 2HE LYS 63 2HE LYS 63 -1.541 4.092 -5.657 531 1HZ LYS 63 1HZ LYS 63 -2.809 3.715 -8.317 532 2HZ LYS 63 2HZ LYS 63 -3.149 2.870 -6.892 533 3HZ LYS 63 3HZ LYS 63 -3.564 4.505 -7.024 534 H THR 64 H THR 64 -5.188 7.024 -3.437 535 HA THR 64 HA THR 64 -6.556 8.786 -5.066 536 HB THR 64 HB THR 64 -7.289 8.137 -2.199 537 HG1 THR 64 HG1 THR 64 -6.925 6.267 -3.504 538 1HG2 THR 64 1HG2 THR 64 -9.378 8.868 -2.565 539 2HG2 THR 64 2HG2 THR 64 -8.577 9.897 -3.753 540 3HG2 THR 64 3HG2 THR 64 -9.362 8.403 -4.265 541 H GLU 65 H GLU 65 -4.906 9.336 -2.036 542 HA GLU 65 HA GLU 65 -5.624 12.144 -1.961 543 1HB GLU 65 1HB GLU 65 -3.600 10.750 -0.211 544 2HB GLU 65 2HB GLU 65 -4.477 12.236 0.125 545 1HG GLU 65 1HG GLU 65 -6.063 9.767 -0.289 546 2HG GLU 65 2HG GLU 65 -5.146 9.919 1.209 547 H VAL 66 H VAL 66 -2.977 10.080 -2.914 548 HA VAL 66 HA VAL 66 -0.934 11.960 -3.054 549 HB VAL 66 HB VAL 66 -1.346 9.512 -4.750 550 1HG1 VAL 66 1HG1 VAL 66 1.394 10.430 -4.340 551 2HG1 VAL 66 2HG1 VAL 66 0.600 9.843 -5.800 552 3HG1 VAL 66 3HG1 VAL 66 0.419 11.527 -5.318 553 1HG2 VAL 66 1HG2 VAL 66 -1.175 9.212 -2.272 554 2HG2 VAL 66 2HG2 VAL 66 0.093 8.404 -3.192 555 3HG2 VAL 66 3HG2 VAL 66 0.435 9.920 -2.355 556 H TYR 67 H TYR 67 -3.515 11.184 -5.291 557 HA TYR 67 HA TYR 67 -2.526 12.669 -7.490 558 1HB TYR 67 1HB TYR 67 -4.895 11.147 -6.846 559 2HB TYR 67 2HB TYR 67 -5.331 12.641 -7.670 560 HD1 TYR 67 HD1 TYR 67 -3.381 9.517 -7.961 561 HD2 TYR 67 HD2 TYR 67 -4.871 12.949 -9.988 562 HE1 TYR 67 HE1 TYR 67 -2.782 8.497 -10.117 563 HE2 TYR 67 HE2 TYR 67 -4.277 11.939 -12.149 564 HH TYR 67 HH TYR 67 -2.617 8.811 -12.331 565 H ASN 68 H ASN 68 -4.640 13.481 -4.778 566 HA ASN 68 HA ASN 68 -5.010 16.177 -5.795 567 1HB ASN 68 1HB ASN 68 -6.494 16.503 -3.871 568 2HB ASN 68 2HB ASN 68 -6.932 15.065 -4.783 569 1HD2 ASN 68 1HD2 ASN 68 -7.086 13.313 -1.818 570 2HD2 ASN 68 2HD2 ASN 68 -7.846 13.828 -3.281 571 H LEU 69 H LEU 69 -2.798 14.548 -3.784 572 HA LEU 69 HA LEU 69 -2.196 16.510 -1.883 573 1HB LEU 69 1HB LEU 69 -0.353 15.262 -1.342 574 2HB LEU 69 2HB LEU 69 -1.304 14.059 -2.186 575 HG LEU 69 HG LEU 69 0.097 14.759 -4.270 576 1HD1 LEU 69 1HD1 LEU 69 1.759 15.830 -1.998 577 2HD1 LEU 69 2HD1 LEU 69 2.424 15.418 -3.578 578 3HD1 LEU 69 3HD1 LEU 69 1.215 16.689 -3.437 579 1HD2 LEU 69 1HD2 LEU 69 0.745 12.676 -3.846 580 2HD2 LEU 69 2HD2 LEU 69 2.058 13.353 -2.888 581 3HD2 LEU 69 3HD2 LEU 69 0.545 12.891 -2.110 582 H ARG 70 H ARG 70 -1.101 16.106 -5.209 583 HA ARG 70 HA ARG 70 0.761 18.254 -5.105 584 1HB ARG 70 1HB ARG 70 -0.423 16.651 -7.347 585 2HB ARG 70 2HB ARG 70 0.625 18.025 -7.666 586 1HG ARG 70 1HG ARG 70 2.401 16.945 -6.346 587 2HG ARG 70 2HG ARG 70 1.348 15.547 -6.114 588 1HD ARG 70 1HD ARG 70 1.906 16.538 -8.874 589 2HD ARG 70 2HD ARG 70 3.118 15.569 -8.043 590 HE ARG 70 HE ARG 70 0.468 14.692 -8.911 591 1HH1 ARG 70 1HH1 ARG 70 3.271 12.208 -7.490 592 2HH1 ARG 70 2HH1 ARG 70 3.509 13.918 -7.366 593 1HH2 ARG 70 1HH2 ARG 70 1.377 11.374 -8.456 594 2HH2 ARG 70 2HH2 ARG 70 0.166 12.449 -9.072 595 H MET 71 H MET 71 -2.425 18.362 -4.875 596 HA MET 71 HA MET 71 -2.715 20.848 -6.410 597 1HB MET 71 1HB MET 71 -4.621 18.695 -5.626 598 2HB MET 71 2HB MET 71 -5.242 20.334 -5.757 599 1HG MET 71 1HG MET 71 -4.710 20.467 -8.040 600 2HG MET 71 2HG MET 71 -3.676 19.042 -7.964 601 1HE MET 71 1HE MET 71 -6.876 20.659 -7.963 602 2HE MET 71 2HE MET 71 -7.685 19.683 -9.189 603 3HE MET 71 3HE MET 71 -8.065 19.448 -7.483 604 H ASN 72 H ASN 72 -2.823 19.432 -3.236 605 HA ASN 72 HA ASN 72 -3.910 21.854 -2.036 606 1HB ASN 72 1HB ASN 72 -3.020 19.253 -0.774 607 2HB ASN 72 2HB ASN 72 -3.791 20.584 0.081 608 1HD2 ASN 72 1HD2 ASN 72 -6.223 17.904 -0.965 609 2HD2 ASN 72 2HD2 ASN 72 -4.668 17.841 -0.216 610 H LEU 73 H LEU 73 -2.279 23.359 -2.396 611 HA LEU 73 HA LEU 73 0.006 23.090 -0.598 612 1HB LEU 73 1HB LEU 73 1.593 23.861 -2.252 613 2HB LEU 73 2HB LEU 73 0.821 22.385 -2.799 614 HG LEU 73 HG LEU 73 -0.275 25.007 -3.722 615 1HD1 LEU 73 1HD1 LEU 73 2.365 23.863 -4.422 616 2HD1 LEU 73 2HD1 LEU 73 1.372 24.488 -5.740 617 3HD1 LEU 73 3HD1 LEU 73 1.822 25.541 -4.399 618 1HD2 LEU 73 1HD2 LEU 73 -0.640 23.601 -5.778 619 2HD2 LEU 73 2HD2 LEU 73 -0.086 22.217 -4.835 620 3HD2 LEU 73 3HD2 LEU 73 -1.534 23.095 -4.343 621 H GLY 74 H GLY 74 -1.973 25.159 -2.661 622 1HA GLY 74 1HA GLY 74 -1.564 27.330 -0.727 623 2HA GLY 74 2HA GLY 74 -1.302 27.653 -2.434 624 H GLY 75 H GLY 75 -2.998 29.304 -1.967 625 1HA GLY 75 1HA GLY 75 -5.178 29.553 -3.091 626 2HA GLY 75 2HA GLY 75 -5.675 28.084 -2.266 627 H THR 76 H THR 76 -6.479 28.197 -0.220 628 HA THR 76 HA THR 76 -7.366 30.748 0.697 629 HB THR 76 HB THR 76 -8.050 29.275 2.754 630 HG1 THR 76 HG1 THR 76 -7.862 27.167 2.506 631 1HG2 THR 76 1HG2 THR 76 -9.198 29.428 0.067 632 2HG2 THR 76 2HG2 THR 76 -9.741 28.053 1.031 633 3HG2 THR 76 3HG2 THR 76 -9.942 29.695 1.644 634 H GLY 77 H GLY 77 -6.105 32.163 1.704 635 1HA GLY 77 1HA GLY 77 -3.660 31.398 2.989 636 2HA GLY 77 2HA GLY 77 -4.347 33.014 2.936 637 H PHE 78 H PHE 78 -6.809 32.551 4.138 638 HA PHE 78 HA PHE 78 -5.966 32.251 6.907 639 1HB PHE 78 1HB PHE 78 -7.514 34.112 5.874 640 2HB PHE 78 2HB PHE 78 -8.777 32.906 6.104 641 HD1 PHE 78 HD1 PHE 78 -9.379 32.155 8.353 642 HD2 PHE 78 HD2 PHE 78 -6.519 35.242 7.727 643 HE1 PHE 78 HE1 PHE 78 -9.595 32.826 10.711 644 HE2 PHE 78 HE2 PHE 78 -6.726 35.919 10.083 645 HZ PHE 78 HZ PHE 78 -8.265 34.709 11.579 646 H GLN 79 H GLN 79 -5.794 30.114 7.391 647 HA GLN 79 HA GLN 79 -7.504 28.085 6.452 648 1HB GLN 79 1HB GLN 79 -5.175 28.225 7.991 649 2HB GLN 79 2HB GLN 79 -6.364 27.482 9.054 650 1HG GLN 79 1HG GLN 79 -6.350 26.389 6.345 651 2HG GLN 79 2HG GLN 79 -4.834 26.171 7.219 652 1HE2 GLN 79 1HE2 GLN 79 -6.450 23.200 8.233 653 2HE2 GLN 79 2HE2 GLN 79 -5.399 23.894 7.049 Start of MODEL 29 1 1H MET 1 1H MET 1 -15.519 9.233 3.385 2 2H MET 1 2H MET 1 -17.090 9.033 4.046 3 3H MET 1 3H MET 1 -15.748 9.293 5.083 4 HA MET 1 HA MET 1 -14.821 7.227 4.534 5 1HB MET 1 1HB MET 1 -17.409 7.622 5.721 6 2HB MET 1 2HB MET 1 -17.364 6.046 4.942 7 1HG MET 1 1HG MET 1 -16.523 5.403 6.919 8 2HG MET 1 2HG MET 1 -15.011 5.983 6.223 9 1HE MET 1 1HE MET 1 -16.518 5.443 8.966 10 2HE MET 1 2HE MET 1 -15.415 6.378 9.976 11 3HE MET 1 3HE MET 1 -17.102 6.869 9.825 12 H ASP 2 H ASP 2 -14.269 7.043 2.324 13 HA ASP 2 HA ASP 2 -16.105 5.333 0.837 14 1HB ASP 2 1HB ASP 2 -15.592 6.637 -1.273 15 2HB ASP 2 2HB ASP 2 -16.661 7.435 -0.125 16 H ARG 3 H ARG 3 -12.933 6.954 0.568 17 HA ARG 3 HA ARG 3 -11.693 4.341 0.143 18 1HB ARG 3 1HB ARG 3 -11.231 6.711 -1.680 19 2HB ARG 3 2HB ARG 3 -10.381 5.176 -1.757 20 1HG ARG 3 1HG ARG 3 -11.947 4.322 -3.060 21 2HG ARG 3 2HG ARG 3 -13.199 4.703 -1.878 22 1HD ARG 3 1HD ARG 3 -13.042 7.101 -2.810 23 2HD ARG 3 2HD ARG 3 -12.206 6.356 -4.171 24 HE ARG 3 HE ARG 3 -14.807 5.270 -3.423 25 1HH1 ARG 3 1HH1 ARG 3 -14.132 7.204 -6.867 26 2HH1 ARG 3 2HH1 ARG 3 -12.935 7.242 -5.620 27 1HH2 ARG 3 1HH2 ARG 3 -16.087 6.067 -6.552 28 2HH2 ARG 3 2HH2 ARG 3 -16.381 5.230 -5.064 29 H VAL 4 H VAL 4 -11.250 5.092 2.451 30 HA VAL 4 HA VAL 4 -8.655 6.449 2.444 31 HB VAL 4 HB VAL 4 -9.241 7.638 4.546 32 1HG1 VAL 4 1HG1 VAL 4 -9.256 8.888 2.510 33 2HG1 VAL 4 2HG1 VAL 4 -10.853 8.274 2.081 34 3HG1 VAL 4 3HG1 VAL 4 -10.668 9.372 3.449 35 1HG2 VAL 4 1HG2 VAL 4 -11.212 6.055 4.989 36 2HG2 VAL 4 2HG2 VAL 4 -11.417 7.760 5.377 37 3HG2 VAL 4 3HG2 VAL 4 -12.119 7.101 3.900 38 H LEU 5 H LEU 5 -7.212 5.196 3.334 39 HA LEU 5 HA LEU 5 -7.983 2.948 4.988 40 1HB LEU 5 1HB LEU 5 -5.889 2.091 4.594 41 2HB LEU 5 2HB LEU 5 -6.215 2.945 3.128 42 HG LEU 5 HG LEU 5 -4.428 3.880 5.367 43 1HD1 LEU 5 1HD1 LEU 5 -2.813 3.768 3.287 44 2HD1 LEU 5 2HD1 LEU 5 -3.128 2.344 4.274 45 3HD1 LEU 5 3HD1 LEU 5 -3.968 2.554 2.741 46 1HD2 LEU 5 1HD2 LEU 5 -3.921 5.757 3.951 47 2HD2 LEU 5 2HD2 LEU 5 -5.011 5.142 2.709 48 3HD2 LEU 5 3HD2 LEU 5 -5.655 5.691 4.251 49 H SER 6 H SER 6 -7.536 2.642 7.100 50 HA SER 6 HA SER 6 -7.198 4.996 8.692 51 1HB SER 6 1HB SER 6 -7.303 3.309 10.603 52 2HB SER 6 2HB SER 6 -8.710 3.373 9.542 53 HG SER 6 HG SER 6 -8.239 1.441 8.771 54 H ARG 7 H ARG 7 -5.736 4.525 10.790 55 HA ARG 7 HA ARG 7 -3.099 4.930 10.009 56 1HB ARG 7 1HB ARG 7 -3.988 5.610 12.192 57 2HB ARG 7 2HB ARG 7 -4.136 3.923 12.665 58 1HG ARG 7 1HG ARG 7 -1.949 3.722 13.134 59 2HG ARG 7 2HG ARG 7 -1.455 4.754 11.791 60 1HD ARG 7 1HD ARG 7 -2.858 6.351 13.681 61 2HD ARG 7 2HD ARG 7 -1.652 5.404 14.548 62 HE ARG 7 HE ARG 7 0.004 6.331 12.965 63 1HH1 ARG 7 1HH1 ARG 7 -2.362 9.566 12.956 64 2HH1 ARG 7 2HH1 ARG 7 -3.017 8.037 13.430 65 1HH2 ARG 7 1HH2 ARG 7 -0.173 9.740 12.336 66 2HH2 ARG 7 2HH2 ARG 7 0.850 8.342 12.338 67 H ALA 8 H ALA 8 -4.776 1.979 10.926 68 HA ALA 8 HA ALA 8 -2.508 0.312 11.100 69 1HB ALA 8 1HB ALA 8 -4.900 -1.067 10.206 70 2HB ALA 8 2HB ALA 8 -3.994 -1.230 11.711 71 3HB ALA 8 3HB ALA 8 -5.220 0.029 11.551 72 H ASP 9 H ASP 9 -4.728 1.027 8.408 73 HA ASP 9 HA ASP 9 -3.608 -0.800 6.585 74 1HB ASP 9 1HB ASP 9 -5.280 1.661 6.353 75 2HB ASP 9 2HB ASP 9 -4.612 0.948 4.903 76 H LYS 10 H LYS 10 -3.140 2.745 6.775 77 HA LYS 10 HA LYS 10 -1.122 2.878 4.850 78 1HB LYS 10 1HB LYS 10 -0.580 5.070 5.771 79 2HB LYS 10 2HB LYS 10 -2.320 4.854 5.662 80 1HG LYS 10 1HG LYS 10 -2.606 5.051 7.870 81 2HG LYS 10 2HG LYS 10 -1.186 4.075 8.237 82 1HD LYS 10 1HD LYS 10 -1.009 6.911 7.253 83 2HD LYS 10 2HD LYS 10 -1.082 6.491 8.965 84 1HE LYS 10 1HE LYS 10 0.887 4.829 7.909 85 2HE LYS 10 2HE LYS 10 1.151 6.388 7.130 86 1HZ LYS 10 1HZ LYS 10 1.558 5.612 9.875 87 2HZ LYS 10 2HZ LYS 10 2.266 6.866 8.989 88 3HZ LYS 10 3HZ LYS 10 0.748 7.086 9.699 89 H GLU 11 H GLU 11 -0.995 2.097 8.254 90 HA GLU 11 HA GLU 11 1.844 2.264 8.500 91 1HB GLU 11 1HB GLU 11 -0.376 1.157 10.166 92 2HB GLU 11 2HB GLU 11 1.267 0.641 10.513 93 1HG GLU 11 1HG GLU 11 1.263 3.468 10.230 94 2HG GLU 11 2HG GLU 11 -0.047 3.011 11.320 95 H ARG 12 H ARG 12 -0.451 -0.204 7.582 96 HA ARG 12 HA ARG 12 1.351 -2.400 7.671 97 1HB ARG 12 1HB ARG 12 -1.069 -2.731 7.734 98 2HB ARG 12 2HB ARG 12 -1.227 -2.022 6.133 99 1HG ARG 12 1HG ARG 12 -1.385 -4.419 5.989 100 2HG ARG 12 2HG ARG 12 0.097 -3.872 5.204 101 1HD ARG 12 1HD ARG 12 1.075 -5.480 6.427 102 2HD ARG 12 2HD ARG 12 0.974 -4.305 7.735 103 HE ARG 12 HE ARG 12 -0.948 -6.497 7.290 104 1HH1 ARG 12 1HH1 ARG 12 -0.044 -4.912 10.858 105 2HH1 ARG 12 2HH1 ARG 12 0.663 -4.241 9.429 106 1HH2 ARG 12 1HH2 ARG 12 -1.477 -6.681 10.714 107 2HH2 ARG 12 2HH2 ARG 12 -1.868 -7.367 9.172 108 H LEU 13 H LEU 13 0.545 0.035 5.308 109 HA LEU 13 HA LEU 13 1.691 -1.192 3.032 110 1HB LEU 13 1HB LEU 13 0.174 0.650 2.785 111 2HB LEU 13 2HB LEU 13 1.180 1.686 3.769 112 HG LEU 13 HG LEU 13 2.934 1.197 1.825 113 1HD1 LEU 13 1HD1 LEU 13 0.445 1.310 0.195 114 2HD1 LEU 13 2HD1 LEU 13 2.057 0.748 -0.245 115 3HD1 LEU 13 3HD1 LEU 13 1.020 -0.255 0.768 116 1HD2 LEU 13 1HD2 LEU 13 1.608 3.330 2.699 117 2HD2 LEU 13 2HD2 LEU 13 2.597 3.363 1.238 118 3HD2 LEU 13 3HD2 LEU 13 0.845 3.175 1.114 119 H LEU 14 H LEU 14 2.930 0.850 5.593 120 HA LEU 14 HA LEU 14 5.475 1.349 4.480 121 1HB LEU 14 1HB LEU 14 4.210 1.591 7.151 122 2HB LEU 14 2HB LEU 14 5.963 1.603 7.090 123 HG LEU 14 HG LEU 14 4.095 3.526 5.713 124 1HD1 LEU 14 1HD1 LEU 14 5.868 4.940 7.258 125 2HD1 LEU 14 2HD1 LEU 14 4.205 4.544 7.691 126 3HD1 LEU 14 3HD1 LEU 14 5.529 3.518 8.244 127 1HD2 LEU 14 1HD2 LEU 14 6.762 2.750 5.023 128 2HD2 LEU 14 2HD2 LEU 14 5.710 3.934 4.249 129 3HD2 LEU 14 3HD2 LEU 14 6.757 4.424 5.582 130 H GLU 15 H GLU 15 4.233 -1.179 6.606 131 HA GLU 15 HA GLU 15 6.609 -2.389 7.366 132 1HB GLU 15 1HB GLU 15 3.904 -3.603 6.794 133 2HB GLU 15 2HB GLU 15 5.234 -4.502 7.514 134 1HG GLU 15 1HG GLU 15 3.943 -2.044 8.679 135 2HG GLU 15 2HG GLU 15 3.658 -3.706 9.195 136 H LEU 16 H LEU 16 4.576 -3.171 4.550 137 HA LEU 16 HA LEU 16 6.471 -5.019 3.471 138 1HB LEU 16 1HB LEU 16 3.875 -3.853 2.621 139 2HB LEU 16 2HB LEU 16 4.911 -4.494 1.360 140 HG LEU 16 HG LEU 16 4.334 -6.202 3.740 141 1HD1 LEU 16 1HD1 LEU 16 2.310 -5.130 1.994 142 2HD1 LEU 16 2HD1 LEU 16 2.430 -6.879 1.813 143 3HD1 LEU 16 3HD1 LEU 16 2.141 -6.174 3.403 144 1HD2 LEU 16 1HD2 LEU 16 5.865 -6.608 1.594 145 2HD2 LEU 16 2HD2 LEU 16 4.991 -7.910 2.401 146 3HD2 LEU 16 3HD2 LEU 16 4.326 -7.173 0.943 147 H LEU 17 H LEU 17 6.311 -1.648 3.525 148 HA LEU 17 HA LEU 17 7.675 -1.259 0.991 149 1HB LEU 17 1HB LEU 17 6.378 0.473 3.005 150 2HB LEU 17 2HB LEU 17 7.715 1.179 2.121 151 HG LEU 17 HG LEU 17 5.317 1.544 1.252 152 1HD1 LEU 17 1HD1 LEU 17 7.726 1.697 0.084 153 2HD1 LEU 17 2HD1 LEU 17 6.958 0.499 -0.957 154 3HD1 LEU 17 3HD1 LEU 17 6.216 2.083 -0.742 155 1HD2 LEU 17 1HD2 LEU 17 5.302 -1.238 1.233 156 2HD2 LEU 17 2HD2 LEU 17 4.121 -0.165 0.486 157 3HD2 LEU 17 3HD2 LEU 17 5.477 -0.777 -0.461 158 H LYS 18 H LYS 18 8.561 -1.894 4.206 159 HA LYS 18 HA LYS 18 10.549 -1.771 5.334 160 1HB LYS 18 1HB LYS 18 11.181 -2.348 2.552 161 2HB LYS 18 2HB LYS 18 12.486 -1.499 3.365 162 1HG LYS 18 1HG LYS 18 13.091 -3.617 3.887 163 2HG LYS 18 2HG LYS 18 11.979 -3.333 5.229 164 1HD LYS 18 1HD LYS 18 10.165 -4.318 3.770 165 2HD LYS 18 2HD LYS 18 11.445 -4.818 2.663 166 1HE LYS 18 1HE LYS 18 11.062 -6.693 4.017 167 2HE LYS 18 2HE LYS 18 12.516 -5.951 4.681 168 1HZ LYS 18 1HZ LYS 18 10.462 -6.674 6.174 169 2HZ LYS 18 2HZ LYS 18 11.463 -5.373 6.577 170 3HZ LYS 18 3HZ LYS 18 9.977 -5.092 5.820 171 H LEU 19 H LEU 19 9.136 0.673 4.313 172 HA LEU 19 HA LEU 19 11.310 2.633 4.328 173 1HB LEU 19 1HB LEU 19 9.684 2.580 2.437 174 2HB LEU 19 2HB LEU 19 8.404 2.943 3.575 175 HG LEU 19 HG LEU 19 10.555 4.893 3.714 176 1HD1 LEU 19 1HD1 LEU 19 9.649 4.031 1.080 177 2HD1 LEU 19 2HD1 LEU 19 9.389 5.750 1.376 178 3HD1 LEU 19 3HD1 LEU 19 11.004 5.063 1.530 179 1HD2 LEU 19 1HD2 LEU 19 8.327 6.229 2.997 180 2HD2 LEU 19 2HD2 LEU 19 7.615 4.751 3.637 181 3HD2 LEU 19 3HD2 LEU 19 8.677 5.725 4.651 182 HA PRO 20 HA PRO 20 10.287 3.158 8.696 183 1HB PRO 20 1HB PRO 20 11.741 5.701 8.129 184 2HB PRO 20 2HB PRO 20 11.933 4.570 9.471 185 1HG PRO 20 1HG PRO 20 13.678 4.605 7.458 186 2HG PRO 20 2HG PRO 20 13.182 3.080 8.214 187 1HD PRO 20 1HD PRO 20 12.422 4.223 5.575 188 2HD PRO 20 2HD PRO 20 12.589 2.526 6.067 189 H ARG 21 H ARG 21 9.308 4.842 10.029 190 HA ARG 21 HA ARG 21 7.107 6.116 8.631 191 1HB ARG 21 1HB ARG 21 7.475 4.922 11.177 192 2HB ARG 21 2HB ARG 21 7.072 6.610 11.454 193 1HG ARG 21 1HG ARG 21 5.030 6.394 10.233 194 2HG ARG 21 2HG ARG 21 5.464 4.769 9.709 195 1HD ARG 21 1HD ARG 21 4.370 3.997 11.482 196 2HD ARG 21 2HD ARG 21 5.650 4.683 12.481 197 HE ARG 21 HE ARG 21 3.793 6.697 11.901 198 1HH1 ARG 21 1HH1 ARG 21 2.841 4.221 14.904 199 2HH1 ARG 21 2HH1 ARG 21 4.009 3.728 13.724 200 1HH2 ARG 21 1HH2 ARG 21 1.845 6.273 14.750 201 2HH2 ARG 21 2HH2 ARG 21 2.256 7.346 13.453 202 H GLN 22 H GLN 22 10.173 7.038 9.413 203 HA GLN 22 HA GLN 22 9.572 9.704 10.361 204 1HB GLN 22 1HB GLN 22 11.622 8.167 10.906 205 2HB GLN 22 2HB GLN 22 12.278 8.847 9.425 206 1HG GLN 22 1HG GLN 22 12.824 10.739 10.439 207 2HG GLN 22 2HG GLN 22 11.209 10.913 11.126 208 1HE2 GLN 22 1HE2 GLN 22 12.797 10.627 14.218 209 2HE2 GLN 22 2HE2 GLN 22 12.004 11.663 13.085 210 H LEU 23 H LEU 23 10.317 8.135 7.367 211 HA LEU 23 HA LEU 23 10.461 10.748 6.042 212 1HB LEU 23 1HB LEU 23 11.707 9.774 4.287 213 2HB LEU 23 2HB LEU 23 12.423 9.227 5.786 214 HG LEU 23 HG LEU 23 12.459 7.375 4.324 215 1HD1 LEU 23 1HD1 LEU 23 11.141 5.708 5.402 216 2HD1 LEU 23 2HD1 LEU 23 11.636 6.882 6.627 217 3HD1 LEU 23 3HD1 LEU 23 9.995 6.916 5.983 218 1HD2 LEU 23 1HD2 LEU 23 9.537 7.461 3.827 219 2HD2 LEU 23 2HD2 LEU 23 10.609 8.496 2.885 220 3HD2 LEU 23 3HD2 LEU 23 10.825 6.747 2.860 221 H TRP 24 H TRP 24 8.109 8.976 6.886 222 HA TRP 24 HA TRP 24 6.733 7.909 4.749 223 1HB TRP 24 1HB TRP 24 5.922 7.634 6.983 224 2HB TRP 24 2HB TRP 24 5.754 9.369 7.203 225 HD1 TRP 24 HD1 TRP 24 3.434 10.375 6.729 226 HE1 TRP 24 HE1 TRP 24 1.217 9.475 5.782 227 HE3 TRP 24 HE3 TRP 24 5.044 5.810 5.072 228 HZ2 TRP 24 HZ2 TRP 24 0.271 7.139 4.512 229 HZ3 TRP 24 HZ3 TRP 24 3.413 4.302 4.002 230 HH2 TRP 24 HH2 TRP 24 1.081 4.959 3.727 231 H GLY 25 H GLY 25 7.476 11.227 5.339 232 1HA GLY 25 1HA GLY 25 5.337 12.263 3.690 233 2HA GLY 25 2HA GLY 25 6.643 13.189 4.410 234 H ASP 26 H ASP 26 8.371 10.889 3.054 235 HA ASP 26 HA ASP 26 8.938 12.473 0.703 236 1HB ASP 26 1HB ASP 26 10.671 11.349 2.234 237 2HB ASP 26 2HB ASP 26 10.241 9.851 1.415 238 H PHE 27 H PHE 27 8.041 12.152 -1.218 239 HA PHE 27 HA PHE 27 6.398 9.849 -1.715 240 1HB PHE 27 1HB PHE 27 5.746 12.079 -2.526 241 2HB PHE 27 2HB PHE 27 7.168 12.111 -3.565 242 HD1 PHE 27 HD1 PHE 27 6.903 11.511 -5.764 243 HD2 PHE 27 HD2 PHE 27 4.217 9.939 -2.862 244 HE1 PHE 27 HE1 PHE 27 5.623 10.406 -7.552 245 HE2 PHE 27 HE2 PHE 27 2.933 8.830 -4.645 246 HZ PHE 27 HZ PHE 27 3.637 9.064 -6.994 247 H GLY 28 H GLY 28 9.429 11.124 -3.044 248 1HA GLY 28 1HA GLY 28 9.811 9.195 -5.032 249 2HA GLY 28 2HA GLY 28 11.090 10.115 -4.258 250 H ARG 29 H ARG 29 10.479 9.057 -1.590 251 HA ARG 29 HA ARG 29 12.085 6.690 -1.775 252 1HB ARG 29 1HB ARG 29 11.324 8.573 0.268 253 2HB ARG 29 2HB ARG 29 11.121 6.929 0.856 254 1HG ARG 29 1HG ARG 29 13.647 7.590 -0.549 255 2HG ARG 29 2HG ARG 29 13.408 8.231 1.078 256 1HD ARG 29 1HD ARG 29 14.490 6.185 1.413 257 2HD ARG 29 2HD ARG 29 12.793 5.840 1.732 258 HE ARG 29 HE ARG 29 13.876 5.292 -0.932 259 1HH1 ARG 29 1HH1 ARG 29 12.353 2.482 1.485 260 2HH1 ARG 29 2HH1 ARG 29 12.620 4.077 2.100 261 1HH2 ARG 29 1HH2 ARG 29 12.870 1.978 -0.679 262 2HH2 ARG 29 2HH2 ARG 29 13.533 3.190 -1.724 263 H MET 30 H MET 30 8.751 7.346 -0.685 264 HA MET 30 HA MET 30 8.089 4.754 0.064 265 1HB MET 30 1HB MET 30 5.717 5.434 -0.395 266 2HB MET 30 2HB MET 30 6.614 6.520 0.655 267 1HG MET 30 1HG MET 30 6.997 8.012 -1.267 268 2HG MET 30 2HG MET 30 6.020 6.938 -2.264 269 1HE MET 30 1HE MET 30 5.975 8.441 1.242 270 2HE MET 30 2HE MET 30 4.336 9.060 1.445 271 3HE MET 30 3HE MET 30 4.634 7.322 1.480 272 H GLN 31 H GLN 31 7.501 6.306 -3.108 273 HA GLN 31 HA GLN 31 6.426 4.032 -4.340 274 1HB GLN 31 1HB GLN 31 6.407 6.458 -5.160 275 2HB GLN 31 2HB GLN 31 8.018 6.139 -5.787 276 1HG GLN 31 1HG GLN 31 7.041 4.233 -7.080 277 2HG GLN 31 2HG GLN 31 5.448 4.797 -6.577 278 1HE2 GLN 31 1HE2 GLN 31 7.509 6.672 -9.518 279 2HE2 GLN 31 2HE2 GLN 31 8.207 5.403 -8.577 280 H GLN 32 H GLN 32 9.742 5.098 -3.884 281 HA GLN 32 HA GLN 32 11.014 3.378 -5.688 282 1HB GLN 32 1HB GLN 32 11.871 5.297 -3.983 283 2HB GLN 32 2HB GLN 32 12.388 3.863 -3.114 284 1HG GLN 32 1HG GLN 32 14.147 3.670 -4.431 285 2HG GLN 32 2HG GLN 32 13.104 3.564 -5.848 286 1HE2 GLN 32 1HE2 GLN 32 15.291 6.850 -5.137 287 2HE2 GLN 32 2HE2 GLN 32 15.369 5.426 -4.163 288 H ALA 33 H ALA 33 10.122 2.907 -2.289 289 HA ALA 33 HA ALA 33 11.190 0.268 -2.126 290 1HB ALA 33 1HB ALA 33 9.285 0.448 -0.135 291 2HB ALA 33 2HB ALA 33 10.988 0.875 0.013 292 3HB ALA 33 3HB ALA 33 9.799 2.119 -0.368 293 H TYR 34 H TYR 34 8.028 1.628 -2.864 294 HA TYR 34 HA TYR 34 6.457 -0.653 -2.714 295 1HB TYR 34 1HB TYR 34 5.533 1.593 -3.088 296 2HB TYR 34 2HB TYR 34 6.242 1.625 -4.700 297 HD1 TYR 34 HD1 TYR 34 3.321 0.902 -2.839 298 HD2 TYR 34 HD2 TYR 34 5.511 -0.333 -6.284 299 HE1 TYR 34 HE1 TYR 34 1.302 -0.164 -3.755 300 HE2 TYR 34 HE2 TYR 34 3.489 -1.382 -7.201 301 HH TYR 34 HH TYR 34 0.730 -0.831 -6.680 302 H LYS 35 H LYS 35 8.473 0.522 -5.376 303 HA LYS 35 HA LYS 35 7.776 -1.685 -7.093 304 1HB LYS 35 1HB LYS 35 9.945 0.406 -7.365 305 2HB LYS 35 2HB LYS 35 9.469 -0.732 -8.616 306 1HG LYS 35 1HG LYS 35 7.135 0.618 -7.745 307 2HG LYS 35 2HG LYS 35 8.390 1.826 -8.029 308 1HD LYS 35 1HD LYS 35 8.094 -0.299 -10.071 309 2HD LYS 35 2HD LYS 35 6.793 0.889 -9.967 310 1HE LYS 35 1HE LYS 35 8.248 2.679 -10.424 311 2HE LYS 35 2HE LYS 35 9.680 1.700 -10.109 312 1HZ LYS 35 1HZ LYS 35 9.465 0.595 -12.120 313 2HZ LYS 35 2HZ LYS 35 7.841 1.027 -12.317 314 3HZ LYS 35 3HZ LYS 35 9.055 2.187 -12.523 315 H GLN 36 H GLN 36 10.375 -0.835 -4.905 316 HA GLN 36 HA GLN 36 12.210 -2.831 -5.713 317 1HB GLN 36 1HB GLN 36 12.447 -0.712 -4.126 318 2HB GLN 36 2HB GLN 36 12.132 -1.910 -2.878 319 1HG GLN 36 1HG GLN 36 14.286 -2.239 -4.944 320 2HG GLN 36 2HG GLN 36 14.550 -1.438 -3.395 321 1HE2 GLN 36 1HE2 GLN 36 15.262 -5.199 -3.444 322 2HE2 GLN 36 2HE2 GLN 36 15.536 -3.998 -4.654 323 H GLN 37 H GLN 37 9.552 -2.785 -3.413 324 HA GLN 37 HA GLN 37 10.162 -5.458 -2.468 325 1HB GLN 37 1HB GLN 37 7.777 -3.713 -1.847 326 2HB GLN 37 2HB GLN 37 8.276 -5.157 -0.975 327 1HG GLN 37 1HG GLN 37 10.079 -2.779 -1.222 328 2HG GLN 37 2HG GLN 37 8.846 -2.878 0.034 329 1HE2 GLN 37 1HE2 GLN 37 12.348 -4.526 0.682 330 2HE2 GLN 37 2HE2 GLN 37 11.993 -3.275 -0.457 331 H SER 38 H SER 38 8.238 -3.975 -4.897 332 HA SER 38 HA SER 38 6.234 -5.966 -5.144 333 1HB SER 38 1HB SER 38 5.725 -4.951 -7.282 334 2HB SER 38 2HB SER 38 6.083 -3.668 -6.128 335 HG SER 38 HG SER 38 7.797 -4.713 -8.131 336 H LEU 39 H LEU 39 9.518 -5.702 -6.240 337 HA LEU 39 HA LEU 39 9.365 -7.727 -8.243 338 1HB LEU 39 1HB LEU 39 11.563 -6.248 -6.870 339 2HB LEU 39 2HB LEU 39 11.957 -7.698 -7.771 340 HG LEU 39 HG LEU 39 10.460 -5.379 -8.981 341 1HD1 LEU 39 1HD1 LEU 39 12.886 -4.981 -8.075 342 2HD1 LEU 39 2HD1 LEU 39 13.346 -5.878 -9.523 343 3HD1 LEU 39 3HD1 LEU 39 12.410 -4.390 -9.666 344 1HD2 LEU 39 1HD2 LEU 39 10.991 -6.397 -11.072 345 2HD2 LEU 39 2HD2 LEU 39 12.031 -7.590 -10.293 346 3HD2 LEU 39 3HD2 LEU 39 10.286 -7.640 -10.039 347 H LEU 40 H LEU 40 10.084 -7.701 -4.798 348 HA LEU 40 HA LEU 40 10.890 -10.482 -4.841 349 1HB LEU 40 1HB LEU 40 10.982 -10.209 -2.334 350 2HB LEU 40 2HB LEU 40 12.086 -9.218 -3.265 351 HG LEU 40 HG LEU 40 10.154 -7.422 -3.008 352 1HD1 LEU 40 1HD1 LEU 40 9.850 -8.812 -0.387 353 2HD1 LEU 40 2HD1 LEU 40 8.806 -7.613 -1.153 354 3HD1 LEU 40 3HD1 LEU 40 8.825 -9.274 -1.745 355 1HD2 LEU 40 1HD2 LEU 40 11.752 -7.854 -0.544 356 2HD2 LEU 40 2HD2 LEU 40 12.617 -7.645 -2.067 357 3HD2 LEU 40 3HD2 LEU 40 11.517 -6.391 -1.498 358 H LEU 41 H LEU 41 7.981 -8.750 -4.618 359 HA LEU 41 HA LEU 41 6.587 -10.926 -3.247 360 1HB LEU 41 1HB LEU 41 5.609 -8.236 -4.208 361 2HB LEU 41 2HB LEU 41 4.614 -9.422 -3.387 362 HG LEU 41 HG LEU 41 7.096 -8.438 -2.051 363 1HD1 LEU 41 1HD1 LEU 41 6.387 -6.353 -1.828 364 2HD1 LEU 41 2HD1 LEU 41 5.054 -6.705 -2.926 365 3HD1 LEU 41 3HD1 LEU 41 4.843 -6.917 -1.189 366 1HD2 LEU 41 1HD2 LEU 41 4.394 -9.361 -1.097 367 2HD2 LEU 41 2HD2 LEU 41 5.901 -10.272 -1.033 368 3HD2 LEU 41 3HD2 LEU 41 5.705 -8.820 -0.047 369 H HIS 42 H HIS 42 7.367 -9.879 -6.364 370 HA HIS 42 HA HIS 42 5.123 -10.611 -7.866 371 1HB HIS 42 1HB HIS 42 7.417 -9.412 -8.470 372 2HB HIS 42 2HB HIS 42 7.868 -11.041 -8.952 373 HD1 HIS 42 HD1 HIS 42 7.033 -11.855 -11.161 374 HD2 HIS 42 HD2 HIS 42 5.194 -8.332 -9.971 375 HE1 HIS 42 HE1 HIS 42 5.703 -11.093 -13.152 376 HE2 HIS 42 HE2 HIS 42 4.685 -8.900 -12.443 377 HA PRO 43 HA PRO 43 5.088 -15.019 -7.608 378 1HB PRO 43 1HB PRO 43 3.991 -15.649 -10.022 379 2HB PRO 43 2HB PRO 43 3.063 -15.003 -8.665 380 1HG PRO 43 1HG PRO 43 4.144 -13.586 -11.065 381 2HG PRO 43 2HG PRO 43 2.571 -13.402 -10.269 382 1HD PRO 43 1HD PRO 43 4.603 -11.665 -9.895 383 2HD PRO 43 2HD PRO 43 3.426 -12.033 -8.623 384 H ASP 44 H ASP 44 7.022 -13.386 -9.897 385 HA ASP 44 HA ASP 44 8.107 -15.835 -11.032 386 1HB ASP 44 1HB ASP 44 8.012 -13.090 -11.846 387 2HB ASP 44 2HB ASP 44 9.693 -13.608 -11.791 388 H LYS 45 H LYS 45 8.802 -13.578 -8.510 389 HA LYS 45 HA LYS 45 11.515 -14.651 -8.202 390 1HB LYS 45 1HB LYS 45 10.169 -12.264 -6.927 391 2HB LYS 45 2HB LYS 45 11.800 -12.799 -6.549 392 1HG LYS 45 1HG LYS 45 11.972 -10.995 -8.081 393 2HG LYS 45 2HG LYS 45 12.379 -12.472 -8.958 394 1HD LYS 45 1HD LYS 45 10.592 -12.308 -10.316 395 2HD LYS 45 2HD LYS 45 9.538 -11.740 -9.022 396 1HE LYS 45 1HE LYS 45 9.635 -9.854 -10.314 397 2HE LYS 45 2HE LYS 45 11.005 -9.563 -9.240 398 1HZ LYS 45 1HZ LYS 45 11.794 -11.078 -11.511 399 2HZ LYS 45 2HZ LYS 45 11.048 -9.637 -11.991 400 3HZ LYS 45 3HZ LYS 45 12.386 -9.592 -10.957 401 H GLY 46 H GLY 46 9.128 -16.192 -7.567 402 1HA GLY 46 1HA GLY 46 8.452 -17.660 -5.937 403 2HA GLY 46 2HA GLY 46 9.938 -17.265 -5.088 404 H GLY 47 H GLY 47 7.709 -14.719 -5.860 405 1HA GLY 47 1HA GLY 47 7.251 -14.319 -3.004 406 2HA GLY 47 2HA GLY 47 6.899 -13.168 -4.284 407 H SER 48 H SER 48 5.039 -13.496 -2.365 408 HA SER 48 HA SER 48 3.073 -15.432 -3.292 409 1HB SER 48 1HB SER 48 3.350 -13.680 -0.885 410 2HB SER 48 2HB SER 48 1.740 -14.229 -1.346 411 HG SER 48 HG SER 48 3.177 -16.369 -1.476 412 H HIS 49 H HIS 49 1.065 -14.906 -4.140 413 HA HIS 49 HA HIS 49 0.982 -12.419 -5.594 414 1HB HIS 49 1HB HIS 49 -1.228 -13.360 -6.430 415 2HB HIS 49 2HB HIS 49 0.210 -14.303 -6.805 416 HD1 HIS 49 HD1 HIS 49 0.103 -16.711 -6.217 417 HD2 HIS 49 HD2 HIS 49 -2.689 -14.468 -4.109 418 HE1 HIS 49 HE1 HIS 49 -1.278 -18.382 -4.941 419 HE2 HIS 49 HE2 HIS 49 -2.923 -16.999 -3.628 420 H ALA 50 H ALA 50 -0.815 -13.905 -2.940 421 HA ALA 50 HA ALA 50 -2.877 -12.069 -2.679 422 1HB ALA 50 1HB ALA 50 -3.365 -13.611 -1.154 423 2HB ALA 50 2HB ALA 50 -1.686 -14.144 -1.059 424 3HB ALA 50 3HB ALA 50 -2.239 -12.791 -0.071 425 H LEU 51 H LEU 51 0.439 -11.895 -1.496 426 HA LEU 51 HA LEU 51 0.091 -9.607 0.129 427 1HB LEU 51 1HB LEU 51 2.369 -11.130 -0.973 428 2HB LEU 51 2HB LEU 51 2.696 -9.461 -0.555 429 HG LEU 51 HG LEU 51 1.375 -10.373 1.678 430 1HD1 LEU 51 1HD1 LEU 51 1.707 -12.683 0.506 431 2HD1 LEU 51 2HD1 LEU 51 3.360 -12.521 1.101 432 3HD1 LEU 51 3HD1 LEU 51 2.009 -12.508 2.234 433 1HD2 LEU 51 1HD2 LEU 51 4.343 -10.338 1.143 434 2HD2 LEU 51 2HD2 LEU 51 3.359 -8.958 1.636 435 3HD2 LEU 51 3HD2 LEU 51 3.579 -10.322 2.733 436 H MET 52 H MET 52 1.393 -9.963 -3.171 437 HA MET 52 HA MET 52 1.946 -7.310 -3.703 438 1HB MET 52 1HB MET 52 1.628 -9.732 -5.226 439 2HB MET 52 2HB MET 52 0.922 -8.381 -6.103 440 1HG MET 52 1HG MET 52 3.439 -7.576 -5.033 441 2HG MET 52 2HG MET 52 3.637 -9.105 -5.885 442 1HE MET 52 1HE MET 52 2.468 -5.038 -7.566 443 2HE MET 52 2HE MET 52 1.105 -5.970 -6.947 444 3HE MET 52 3HE MET 52 2.452 -5.564 -5.883 445 H GLN 53 H GLN 53 -1.146 -8.946 -3.682 446 HA GLN 53 HA GLN 53 -2.579 -6.838 -4.989 447 1HB GLN 53 1HB GLN 53 -3.617 -9.082 -3.246 448 2HB GLN 53 2HB GLN 53 -4.591 -8.053 -4.287 449 1HG GLN 53 1HG GLN 53 -2.512 -10.048 -5.138 450 2HG GLN 53 2HG GLN 53 -4.255 -10.156 -5.368 451 1HE2 GLN 53 1HE2 GLN 53 -1.946 -7.891 -7.837 452 2HE2 GLN 53 2HE2 GLN 53 -1.333 -8.509 -6.345 453 H GLU 54 H GLU 54 -1.935 -7.761 -1.654 454 HA GLU 54 HA GLU 54 -3.695 -5.948 -0.408 455 1HB GLU 54 1HB GLU 54 -2.270 -7.960 0.535 456 2HB GLU 54 2HB GLU 54 -1.094 -6.695 0.866 457 1HG GLU 54 1HG GLU 54 -3.754 -5.962 1.748 458 2HG GLU 54 2HG GLU 54 -3.197 -7.466 2.482 459 H LEU 55 H LEU 55 -0.384 -5.636 -1.559 460 HA LEU 55 HA LEU 55 0.154 -3.124 -0.378 461 1HB LEU 55 1HB LEU 55 1.979 -4.474 -1.079 462 2HB LEU 55 2HB LEU 55 1.343 -4.612 -2.705 463 HG LEU 55 HG LEU 55 1.704 -2.033 -2.792 464 1HD1 LEU 55 1HD1 LEU 55 4.022 -1.914 -1.319 465 2HD1 LEU 55 2HD1 LEU 55 2.480 -1.174 -0.889 466 3HD1 LEU 55 3HD1 LEU 55 2.906 -2.759 -0.245 467 1HD2 LEU 55 1HD2 LEU 55 3.425 -2.539 -4.126 468 2HD2 LEU 55 2HD2 LEU 55 4.338 -3.287 -2.815 469 3HD2 LEU 55 3HD2 LEU 55 3.106 -4.215 -3.672 470 H ASN 56 H ASN 56 -0.965 -4.059 -3.617 471 HA ASN 56 HA ASN 56 -1.053 -1.498 -4.736 472 1HB ASN 56 1HB ASN 56 -2.269 -4.130 -5.350 473 2HB ASN 56 2HB ASN 56 -3.058 -2.725 -6.062 474 1HD2 ASN 56 1HD2 ASN 56 0.644 -3.892 -7.292 475 2HD2 ASN 56 2HD2 ASN 56 -0.040 -4.489 -5.823 476 H SER 57 H SER 57 -3.157 -3.040 -2.465 477 HA SER 57 HA SER 57 -5.409 -1.321 -2.936 478 1HB SER 57 1HB SER 57 -5.893 -3.491 -2.066 479 2HB SER 57 2HB SER 57 -4.748 -3.287 -0.740 480 HG SER 57 HG SER 57 -6.166 -2.112 0.325 481 H LEU 58 H LEU 58 -2.748 -1.436 -0.612 482 HA LEU 58 HA LEU 58 -3.766 0.768 0.924 483 1HB LEU 58 1HB LEU 58 -1.125 -0.678 0.926 484 2HB LEU 58 2HB LEU 58 -1.463 0.686 1.972 485 HG LEU 58 HG LEU 58 -3.086 -1.855 1.973 486 1HD1 LEU 58 1HD1 LEU 58 -0.978 -2.549 2.707 487 2HD1 LEU 58 2HD1 LEU 58 -0.680 -1.040 3.569 488 3HD1 LEU 58 3HD1 LEU 58 -1.860 -2.193 4.191 489 1HD2 LEU 58 1HD2 LEU 58 -3.692 -0.918 4.273 490 2HD2 LEU 58 2HD2 LEU 58 -3.021 0.605 3.695 491 3HD2 LEU 58 3HD2 LEU 58 -4.395 -0.122 2.865 492 H TRP 59 H TRP 59 -1.624 0.388 -1.798 493 HA TRP 59 HA TRP 59 -0.560 3.071 -1.602 494 1HB TRP 59 1HB TRP 59 0.858 1.309 -2.483 495 2HB TRP 59 2HB TRP 59 -0.326 0.928 -3.722 496 HD1 TRP 59 HD1 TRP 59 0.071 1.990 -6.000 497 HE1 TRP 59 HE1 TRP 59 1.583 3.852 -6.930 498 HE3 TRP 59 HE3 TRP 59 1.952 3.806 -1.599 499 HZ2 TRP 59 HZ2 TRP 59 3.350 5.818 -5.935 500 HZ3 TRP 59 HZ3 TRP 59 3.552 5.668 -1.687 501 HH2 TRP 59 HH2 TRP 59 4.229 6.656 -3.807 502 H GLY 60 H GLY 60 -3.207 1.417 -3.107 503 1HA GLY 60 1HA GLY 60 -3.753 3.344 -5.139 504 2HA GLY 60 2HA GLY 60 -4.861 2.114 -4.552 505 H THR 61 H THR 61 -5.551 2.639 -2.107 506 HA THR 61 HA THR 61 -7.197 4.888 -2.154 507 HB THR 61 HB THR 61 -6.886 2.825 -0.422 508 HG1 THR 61 HG1 THR 61 -8.435 3.893 0.856 509 1HG2 THR 61 1HG2 THR 61 -5.222 3.327 1.010 510 2HG2 THR 61 2HG2 THR 61 -5.451 5.067 0.846 511 3HG2 THR 61 3HG2 THR 61 -6.566 4.129 1.818 512 H PHE 62 H PHE 62 -4.084 4.331 -0.712 513 HA PHE 62 HA PHE 62 -3.402 6.753 0.390 514 1HB PHE 62 1HB PHE 62 -1.983 4.757 0.474 515 2HB PHE 62 2HB PHE 62 -1.708 4.868 -1.264 516 HD1 PHE 62 HD1 PHE 62 -1.736 8.054 0.344 517 HD2 PHE 62 HD2 PHE 62 0.705 4.663 -0.505 518 HE1 PHE 62 HE1 PHE 62 0.277 9.409 0.733 519 HE2 PHE 62 HE2 PHE 62 2.716 6.018 -0.107 520 HZ PHE 62 HZ PHE 62 2.500 8.386 0.503 521 H LYS 63 H LYS 63 -2.924 5.662 -2.918 522 HA LYS 63 HA LYS 63 -1.852 8.009 -3.975 523 1HB LYS 63 1HB LYS 63 -2.716 5.447 -4.904 524 2HB LYS 63 2HB LYS 63 -3.345 6.672 -5.977 525 1HG LYS 63 1HG LYS 63 -1.083 7.558 -6.289 526 2HG LYS 63 2HG LYS 63 -0.460 6.297 -5.224 527 1HD LYS 63 1HD LYS 63 -1.804 5.937 -7.899 528 2HD LYS 63 2HD LYS 63 -0.122 5.597 -7.492 529 1HE LYS 63 1HE LYS 63 -0.779 3.496 -7.129 530 2HE LYS 63 2HE LYS 63 -1.541 4.092 -5.657 531 1HZ LYS 63 1HZ LYS 63 -2.809 3.715 -8.317 532 2HZ LYS 63 2HZ LYS 63 -3.149 2.870 -6.892 533 3HZ LYS 63 3HZ LYS 63 -3.564 4.505 -7.024 534 H THR 64 H THR 64 -5.188 7.024 -3.437 535 HA THR 64 HA THR 64 -6.556 8.786 -5.066 536 HB THR 64 HB THR 64 -7.289 8.137 -2.199 537 HG1 THR 64 HG1 THR 64 -6.925 6.267 -3.504 538 1HG2 THR 64 1HG2 THR 64 -9.378 8.868 -2.565 539 2HG2 THR 64 2HG2 THR 64 -8.577 9.897 -3.753 540 3HG2 THR 64 3HG2 THR 64 -9.362 8.403 -4.265 541 H GLU 65 H GLU 65 -4.906 9.336 -2.036 542 HA GLU 65 HA GLU 65 -5.624 12.144 -1.961 543 1HB GLU 65 1HB GLU 65 -3.600 10.750 -0.211 544 2HB GLU 65 2HB GLU 65 -4.477 12.236 0.125 545 1HG GLU 65 1HG GLU 65 -6.063 9.767 -0.289 546 2HG GLU 65 2HG GLU 65 -5.146 9.919 1.209 547 H VAL 66 H VAL 66 -2.977 10.080 -2.914 548 HA VAL 66 HA VAL 66 -0.934 11.960 -3.054 549 HB VAL 66 HB VAL 66 -1.346 9.512 -4.750 550 1HG1 VAL 66 1HG1 VAL 66 1.394 10.430 -4.340 551 2HG1 VAL 66 2HG1 VAL 66 0.600 9.843 -5.800 552 3HG1 VAL 66 3HG1 VAL 66 0.419 11.527 -5.318 553 1HG2 VAL 66 1HG2 VAL 66 -1.175 9.212 -2.272 554 2HG2 VAL 66 2HG2 VAL 66 0.093 8.404 -3.192 555 3HG2 VAL 66 3HG2 VAL 66 0.435 9.920 -2.355 556 H TYR 67 H TYR 67 -3.515 11.184 -5.291 557 HA TYR 67 HA TYR 67 -2.526 12.669 -7.490 558 1HB TYR 67 1HB TYR 67 -4.895 11.147 -6.846 559 2HB TYR 67 2HB TYR 67 -5.331 12.641 -7.670 560 HD1 TYR 67 HD1 TYR 67 -3.381 9.517 -7.961 561 HD2 TYR 67 HD2 TYR 67 -4.871 12.949 -9.988 562 HE1 TYR 67 HE1 TYR 67 -2.782 8.497 -10.117 563 HE2 TYR 67 HE2 TYR 67 -4.277 11.939 -12.149 564 HH TYR 67 HH TYR 67 -2.617 8.811 -12.331 565 H ASN 68 H ASN 68 -4.640 13.481 -4.778 566 HA ASN 68 HA ASN 68 -5.010 16.177 -5.795 567 1HB ASN 68 1HB ASN 68 -6.494 16.503 -3.871 568 2HB ASN 68 2HB ASN 68 -6.932 15.065 -4.783 569 1HD2 ASN 68 1HD2 ASN 68 -7.086 13.313 -1.818 570 2HD2 ASN 68 2HD2 ASN 68 -7.846 13.828 -3.281 571 H LEU 69 H LEU 69 -2.798 14.548 -3.784 572 HA LEU 69 HA LEU 69 -2.196 16.510 -1.883 573 1HB LEU 69 1HB LEU 69 -0.353 15.262 -1.342 574 2HB LEU 69 2HB LEU 69 -1.304 14.059 -2.186 575 HG LEU 69 HG LEU 69 0.097 14.759 -4.270 576 1HD1 LEU 69 1HD1 LEU 69 1.759 15.830 -1.998 577 2HD1 LEU 69 2HD1 LEU 69 2.424 15.418 -3.578 578 3HD1 LEU 69 3HD1 LEU 69 1.215 16.689 -3.437 579 1HD2 LEU 69 1HD2 LEU 69 0.745 12.676 -3.846 580 2HD2 LEU 69 2HD2 LEU 69 2.058 13.353 -2.888 581 3HD2 LEU 69 3HD2 LEU 69 0.545 12.891 -2.110 582 H ARG 70 H ARG 70 -1.101 16.106 -5.209 583 HA ARG 70 HA ARG 70 0.761 18.254 -5.105 584 1HB ARG 70 1HB ARG 70 -0.423 16.651 -7.347 585 2HB ARG 70 2HB ARG 70 0.625 18.025 -7.666 586 1HG ARG 70 1HG ARG 70 2.401 16.945 -6.346 587 2HG ARG 70 2HG ARG 70 1.348 15.547 -6.114 588 1HD ARG 70 1HD ARG 70 1.906 16.538 -8.874 589 2HD ARG 70 2HD ARG 70 3.118 15.569 -8.043 590 HE ARG 70 HE ARG 70 0.468 14.692 -8.911 591 1HH1 ARG 70 1HH1 ARG 70 3.271 12.208 -7.490 592 2HH1 ARG 70 2HH1 ARG 70 3.509 13.918 -7.366 593 1HH2 ARG 70 1HH2 ARG 70 1.377 11.374 -8.456 594 2HH2 ARG 70 2HH2 ARG 70 0.166 12.449 -9.072 595 H MET 71 H MET 71 -2.425 18.362 -4.875 596 HA MET 71 HA MET 71 -2.715 20.848 -6.410 597 1HB MET 71 1HB MET 71 -4.621 18.695 -5.626 598 2HB MET 71 2HB MET 71 -5.242 20.334 -5.757 599 1HG MET 71 1HG MET 71 -4.710 20.467 -8.040 600 2HG MET 71 2HG MET 71 -3.676 19.042 -7.964 601 1HE MET 71 1HE MET 71 -6.876 20.659 -7.963 602 2HE MET 71 2HE MET 71 -7.685 19.683 -9.189 603 3HE MET 71 3HE MET 71 -8.065 19.448 -7.483 604 H ASN 72 H ASN 72 -2.823 19.432 -3.236 605 HA ASN 72 HA ASN 72 -3.910 21.854 -2.036 606 1HB ASN 72 1HB ASN 72 -3.020 19.253 -0.774 607 2HB ASN 72 2HB ASN 72 -3.791 20.584 0.081 608 1HD2 ASN 72 1HD2 ASN 72 -6.223 17.904 -0.965 609 2HD2 ASN 72 2HD2 ASN 72 -4.668 17.841 -0.216 610 H LEU 73 H LEU 73 -2.279 23.359 -2.396 611 HA LEU 73 HA LEU 73 0.006 23.090 -0.598 612 1HB LEU 73 1HB LEU 73 1.593 23.861 -2.252 613 2HB LEU 73 2HB LEU 73 0.821 22.385 -2.799 614 HG LEU 73 HG LEU 73 -0.275 25.007 -3.722 615 1HD1 LEU 73 1HD1 LEU 73 2.365 23.863 -4.422 616 2HD1 LEU 73 2HD1 LEU 73 1.372 24.488 -5.740 617 3HD1 LEU 73 3HD1 LEU 73 1.822 25.541 -4.399 618 1HD2 LEU 73 1HD2 LEU 73 -0.640 23.601 -5.778 619 2HD2 LEU 73 2HD2 LEU 73 -0.086 22.217 -4.835 620 3HD2 LEU 73 3HD2 LEU 73 -1.534 23.095 -4.343 621 H GLY 74 H GLY 74 -1.973 25.159 -2.661 622 1HA GLY 74 1HA GLY 74 -1.564 27.330 -0.727 623 2HA GLY 74 2HA GLY 74 -1.302 27.653 -2.434 624 H GLY 75 H GLY 75 -2.998 29.304 -1.967 625 1HA GLY 75 1HA GLY 75 -5.178 29.553 -3.091 626 2HA GLY 75 2HA GLY 75 -5.675 28.084 -2.266 627 H THR 76 H THR 76 -6.479 28.197 -0.220 628 HA THR 76 HA THR 76 -7.366 30.748 0.697 629 HB THR 76 HB THR 76 -8.050 29.275 2.754 630 HG1 THR 76 HG1 THR 76 -7.862 27.167 2.506 631 1HG2 THR 76 1HG2 THR 76 -9.198 29.428 0.067 632 2HG2 THR 76 2HG2 THR 76 -9.741 28.053 1.031 633 3HG2 THR 76 3HG2 THR 76 -9.942 29.695 1.644 634 H GLY 77 H GLY 77 -6.105 32.163 1.704 635 1HA GLY 77 1HA GLY 77 -3.660 31.398 2.989 636 2HA GLY 77 2HA GLY 77 -4.347 33.014 2.936 637 H PHE 78 H PHE 78 -6.809 32.551 4.138 638 HA PHE 78 HA PHE 78 -5.966 32.251 6.907 639 1HB PHE 78 1HB PHE 78 -7.514 34.112 5.874 640 2HB PHE 78 2HB PHE 78 -8.777 32.906 6.104 641 HD1 PHE 78 HD1 PHE 78 -9.379 32.155 8.353 642 HD2 PHE 78 HD2 PHE 78 -6.519 35.242 7.727 643 HE1 PHE 78 HE1 PHE 78 -9.595 32.826 10.711 644 HE2 PHE 78 HE2 PHE 78 -6.726 35.919 10.083 645 HZ PHE 78 HZ PHE 78 -8.265 34.709 11.579 646 H GLN 79 H GLN 79 -5.794 30.114 7.391 647 HA GLN 79 HA GLN 79 -7.504 28.085 6.452 648 1HB GLN 79 1HB GLN 79 -5.175 28.225 7.991 649 2HB GLN 79 2HB GLN 79 -6.364 27.482 9.054 650 1HG GLN 79 1HG GLN 79 -6.350 26.389 6.345 651 2HG GLN 79 2HG GLN 79 -4.834 26.171 7.219 652 1HE2 GLN 79 1HE2 GLN 79 -6.450 23.200 8.233 653 2HE2 GLN 79 2HE2 GLN 79 -5.399 23.894 7.049 Start of MODEL 30 1 1H MET 1 1H MET 1 -17.595 3.370 -0.603 2 2H MET 1 2H MET 1 -17.388 4.560 0.618 3 3H MET 1 3H MET 1 -18.959 4.192 0.032 4 HA MET 1 HA MET 1 -18.041 4.876 -2.211 5 1HB MET 1 1HB MET 1 -18.760 6.664 0.103 6 2HB MET 1 2HB MET 1 -18.493 7.322 -1.505 7 1HG MET 1 1HG MET 1 -20.217 5.444 -2.178 8 2HG MET 1 2HG MET 1 -20.697 5.613 -0.489 9 1HE MET 1 1HE MET 1 -23.004 6.454 -2.816 10 2HE MET 1 2HE MET 1 -22.945 6.101 -1.089 11 3HE MET 1 3HE MET 1 -23.571 7.651 -1.650 12 H ASP 2 H ASP 2 -16.675 6.852 0.415 13 HA ASP 2 HA ASP 2 -14.498 7.753 -1.138 14 1HB ASP 2 1HB ASP 2 -14.839 7.725 1.869 15 2HB ASP 2 2HB ASP 2 -13.614 8.642 0.995 16 H ARG 3 H ARG 3 -12.394 7.099 -1.280 17 HA ARG 3 HA ARG 3 -11.796 4.461 -0.130 18 1HB ARG 3 1HB ARG 3 -10.706 5.875 -2.562 19 2HB ARG 3 2HB ARG 3 -9.999 4.402 -1.915 20 1HG ARG 3 1HG ARG 3 -12.700 3.816 -2.153 21 2HG ARG 3 2HG ARG 3 -12.321 4.756 -3.597 22 1HD ARG 3 1HD ARG 3 -10.621 3.243 -4.248 23 2HD ARG 3 2HD ARG 3 -10.642 2.434 -2.680 24 HE ARG 3 HE ARG 3 -13.176 2.224 -3.900 25 1HH1 ARG 3 1HH1 ARG 3 -10.415 -0.503 -4.894 26 2HH1 ARG 3 2HH1 ARG 3 -9.922 0.996 -4.180 27 1HH2 ARG 3 1HH2 ARG 3 -12.630 -0.925 -5.271 28 2HH2 ARG 3 2HH2 ARG 3 -13.827 0.253 -4.842 29 H VAL 4 H VAL 4 -11.290 5.585 1.906 30 HA VAL 4 HA VAL 4 -8.558 6.693 1.852 31 HB VAL 4 HB VAL 4 -9.146 7.943 3.923 32 1HG1 VAL 4 1HG1 VAL 4 -10.988 8.736 1.688 33 2HG1 VAL 4 2HG1 VAL 4 -10.086 9.772 2.795 34 3HG1 VAL 4 3HG1 VAL 4 -9.234 8.866 1.544 35 1HG2 VAL 4 1HG2 VAL 4 -11.166 7.868 4.909 36 2HG2 VAL 4 2HG2 VAL 4 -12.027 7.808 3.371 37 3HG2 VAL 4 3HG2 VAL 4 -11.330 6.338 4.049 38 H LEU 5 H LEU 5 -7.091 5.664 3.013 39 HA LEU 5 HA LEU 5 -7.870 3.346 4.583 40 1HB LEU 5 1HB LEU 5 -5.618 2.690 4.478 41 2HB LEU 5 2HB LEU 5 -6.024 3.288 2.905 42 HG LEU 5 HG LEU 5 -4.614 5.025 4.906 43 1HD1 LEU 5 1HD1 LEU 5 -3.315 2.938 4.578 44 2HD1 LEU 5 2HD1 LEU 5 -3.312 3.245 2.847 45 3HD1 LEU 5 3HD1 LEU 5 -2.504 4.365 3.945 46 1HD2 LEU 5 1HD2 LEU 5 -3.783 5.602 2.366 47 2HD2 LEU 5 2HD2 LEU 5 -5.475 5.168 2.139 48 3HD2 LEU 5 3HD2 LEU 5 -5.039 6.458 3.261 49 H SER 6 H SER 6 -7.207 2.949 6.707 50 HA SER 6 HA SER 6 -7.159 5.355 8.340 51 1HB SER 6 1HB SER 6 -7.562 3.798 10.225 52 2HB SER 6 2HB SER 6 -8.750 3.605 8.937 53 HG SER 6 HG SER 6 -7.926 1.597 9.708 54 H ARG 7 H ARG 7 -5.878 4.818 10.560 55 HA ARG 7 HA ARG 7 -3.186 5.238 10.013 56 1HB ARG 7 1HB ARG 7 -2.796 4.911 12.390 57 2HB ARG 7 2HB ARG 7 -4.282 5.821 12.149 58 1HG ARG 7 1HG ARG 7 -5.498 3.602 12.384 59 2HG ARG 7 2HG ARG 7 -3.967 2.951 12.968 60 1HD ARG 7 1HD ARG 7 -4.541 5.411 14.318 61 2HD ARG 7 2HD ARG 7 -5.937 4.343 14.426 62 HE ARG 7 HE ARG 7 -4.624 2.769 15.583 63 1HH1 ARG 7 1HH1 ARG 7 -1.608 5.370 16.017 64 2HH1 ARG 7 2HH1 ARG 7 -2.844 5.690 14.850 65 1HH2 ARG 7 1HH2 ARG 7 -1.691 3.481 17.298 66 2HH2 ARG 7 2HH2 ARG 7 -2.996 2.357 17.110 67 H ALA 8 H ALA 8 -4.956 2.270 10.549 68 HA ALA 8 HA ALA 8 -2.723 0.571 10.909 69 1HB ALA 8 1HB ALA 8 -4.897 -0.140 11.636 70 2HB ALA 8 2HB ALA 8 -5.528 -0.034 9.993 71 3HB ALA 8 3HB ALA 8 -4.323 -1.256 10.399 72 H ASP 9 H ASP 9 -4.682 1.364 8.035 73 HA ASP 9 HA ASP 9 -3.389 -0.358 6.251 74 1HB ASP 9 1HB ASP 9 -4.816 2.263 5.865 75 2HB ASP 9 2HB ASP 9 -4.232 1.318 4.516 76 H LYS 10 H LYS 10 -2.843 3.173 6.622 77 HA LYS 10 HA LYS 10 -0.636 3.355 4.952 78 1HB LYS 10 1HB LYS 10 0.037 5.325 6.473 79 2HB LYS 10 2HB LYS 10 -1.503 5.407 5.637 80 1HG LYS 10 1HG LYS 10 -2.249 6.038 7.652 81 2HG LYS 10 2HG LYS 10 -2.307 4.301 7.938 82 1HD LYS 10 1HD LYS 10 -1.221 5.433 9.795 83 2HD LYS 10 2HD LYS 10 -0.069 4.403 8.946 84 1HE LYS 10 1HE LYS 10 0.048 6.914 7.691 85 2HE LYS 10 2HE LYS 10 0.022 7.236 9.424 86 1HZ LYS 10 1HZ LYS 10 2.103 6.533 9.614 87 2HZ LYS 10 2HZ LYS 10 1.785 5.090 8.790 88 3HZ LYS 10 3HZ LYS 10 2.194 6.485 7.925 89 H GLU 11 H GLU 11 -0.843 2.420 8.313 90 HA GLU 11 HA GLU 11 1.968 2.272 8.771 91 1HB GLU 11 1HB GLU 11 0.448 2.513 10.644 92 2HB GLU 11 2HB GLU 11 -0.375 1.020 10.218 93 1HG GLU 11 1HG GLU 11 2.156 0.124 10.521 94 2HG GLU 11 2HG GLU 11 2.132 1.452 11.678 95 H ARG 12 H ARG 12 -0.497 0.073 7.632 96 HA ARG 12 HA ARG 12 1.116 -2.285 7.717 97 1HB ARG 12 1HB ARG 12 -1.469 -2.060 7.655 98 2HB ARG 12 2HB ARG 12 -1.263 -1.909 5.916 99 1HG ARG 12 1HG ARG 12 -0.055 -4.091 5.950 100 2HG ARG 12 2HG ARG 12 -0.502 -4.240 7.650 101 1HD ARG 12 1HD ARG 12 -2.893 -3.639 6.435 102 2HD ARG 12 2HD ARG 12 -2.096 -4.671 5.247 103 HE ARG 12 HE ARG 12 -2.473 -6.443 6.627 104 1HH1 ARG 12 1HH1 ARG 12 -3.096 -4.347 9.983 105 2HH1 ARG 12 2HH1 ARG 12 -2.632 -3.524 8.533 106 1HH2 ARG 12 1HH2 ARG 12 -3.353 -6.619 9.986 107 2HH2 ARG 12 2HH2 ARG 12 -3.084 -7.527 8.535 108 H LEU 13 H LEU 13 0.269 0.095 5.259 109 HA LEU 13 HA LEU 13 1.373 -1.155 3.023 110 1HB LEU 13 1HB LEU 13 -0.057 0.736 2.766 111 2HB LEU 13 2HB LEU 13 0.985 1.741 3.748 112 HG LEU 13 HG LEU 13 2.693 1.118 1.746 113 1HD1 LEU 13 1HD1 LEU 13 1.635 1.045 -0.344 114 2HD1 LEU 13 2HD1 LEU 13 0.756 -0.122 0.642 115 3HD1 LEU 13 3HD1 LEU 13 0.067 1.471 0.339 116 1HD2 LEU 13 1HD2 LEU 13 0.707 3.342 1.433 117 2HD2 LEU 13 2HD2 LEU 13 1.890 3.339 2.742 118 3HD2 LEU 13 3HD2 LEU 13 2.434 3.334 1.062 119 H LEU 14 H LEU 14 2.829 0.938 5.466 120 HA LEU 14 HA LEU 14 5.357 1.170 4.216 121 1HB LEU 14 1HB LEU 14 4.459 1.517 7.068 122 2HB LEU 14 2HB LEU 14 6.115 1.793 6.557 123 HG LEU 14 HG LEU 14 3.678 3.296 5.607 124 1HD1 LEU 14 1HD1 LEU 14 4.068 4.706 7.267 125 2HD1 LEU 14 2HD1 LEU 14 5.322 3.626 7.872 126 3HD1 LEU 14 3HD1 LEU 14 5.739 4.912 6.739 127 1HD2 LEU 14 1HD2 LEU 14 4.846 3.801 3.787 128 2HD2 LEU 14 2HD2 LEU 14 6.015 4.618 4.825 129 3HD2 LEU 14 3HD2 LEU 14 6.257 2.928 4.384 130 H GLU 15 H GLU 15 4.070 -1.073 6.642 131 HA GLU 15 HA GLU 15 6.417 -2.399 7.314 132 1HB GLU 15 1HB GLU 15 3.537 -3.022 7.403 133 2HB GLU 15 2HB GLU 15 4.591 -4.430 7.358 134 1HG GLU 15 1HG GLU 15 5.300 -2.294 9.274 135 2HG GLU 15 2HG GLU 15 3.850 -3.235 9.620 136 H LEU 16 H LEU 16 4.471 -2.586 4.440 137 HA LEU 16 HA LEU 16 5.891 -4.925 3.453 138 1HB LEU 16 1HB LEU 16 3.782 -3.232 2.119 139 2HB LEU 16 2HB LEU 16 4.400 -4.762 1.524 140 HG LEU 16 HG LEU 16 3.358 -4.977 4.236 141 1HD1 LEU 16 1HD1 LEU 16 1.128 -4.479 3.927 142 2HD1 LEU 16 2HD1 LEU 16 1.921 -3.148 3.086 143 3HD1 LEU 16 3HD1 LEU 16 1.256 -4.500 2.169 144 1HD2 LEU 16 1HD2 LEU 16 2.378 -6.382 1.776 145 2HD2 LEU 16 2HD2 LEU 16 3.934 -6.777 2.502 146 3HD2 LEU 16 3HD2 LEU 16 2.451 -6.971 3.435 147 H LEU 17 H LEU 17 5.992 -1.479 3.191 148 HA LEU 17 HA LEU 17 7.626 -1.525 0.790 149 1HB LEU 17 1HB LEU 17 6.252 0.551 2.380 150 2HB LEU 17 2HB LEU 17 7.716 1.043 1.551 151 HG LEU 17 HG LEU 17 6.759 0.355 -0.591 152 1HD1 LEU 17 1HD1 LEU 17 5.317 -1.451 0.409 153 2HD1 LEU 17 2HD1 LEU 17 4.190 -0.178 0.876 154 3HD1 LEU 17 3HD1 LEU 17 4.549 -0.455 -0.826 155 1HD2 LEU 17 1HD2 LEU 17 6.427 2.635 0.083 156 2HD2 LEU 17 2HD2 LEU 17 4.959 2.055 -0.704 157 3HD2 LEU 17 3HD2 LEU 17 5.024 2.187 1.053 158 H LYS 18 H LYS 18 8.236 -2.049 3.995 159 HA LYS 18 HA LYS 18 10.097 -1.905 5.313 160 1HB LYS 18 1HB LYS 18 10.999 -2.478 2.609 161 2HB LYS 18 2HB LYS 18 12.215 -1.618 3.540 162 1HG LYS 18 1HG LYS 18 12.732 -3.445 4.693 163 2HG LYS 18 2HG LYS 18 11.042 -3.733 5.106 164 1HD LYS 18 1HD LYS 18 11.135 -5.528 3.787 165 2HD LYS 18 2HD LYS 18 11.223 -4.419 2.420 166 1HE LYS 18 1HE LYS 18 13.021 -6.095 2.378 167 2HE LYS 18 2HE LYS 18 13.644 -4.452 2.506 168 1HZ LYS 18 1HZ LYS 18 13.206 -6.059 4.936 169 2HZ LYS 18 2HZ LYS 18 14.608 -6.279 4.017 170 3HZ LYS 18 3HZ LYS 18 14.267 -4.766 4.689 171 H LEU 19 H LEU 19 8.781 0.540 4.166 172 HA LEU 19 HA LEU 19 10.938 2.493 4.435 173 1HB LEU 19 1HB LEU 19 9.588 2.519 2.368 174 2HB LEU 19 2HB LEU 19 8.145 2.782 3.323 175 HG LEU 19 HG LEU 19 10.201 4.779 3.846 176 1HD1 LEU 19 1HD1 LEU 19 9.156 5.609 1.360 177 2HD1 LEU 19 2HD1 LEU 19 10.837 5.289 1.782 178 3HD1 LEU 19 3HD1 LEU 19 9.833 4.000 1.121 179 1HD2 LEU 19 1HD2 LEU 19 8.109 6.176 3.071 180 2HD2 LEU 19 2HD2 LEU 19 7.286 4.632 3.278 181 3HD2 LEU 19 3HD2 LEU 19 8.138 5.365 4.639 182 HA PRO 20 HA PRO 20 9.417 2.854 8.679 183 1HB PRO 20 1HB PRO 20 11.090 5.306 8.426 184 2HB PRO 20 2HB PRO 20 11.057 4.091 9.708 185 1HG PRO 20 1HG PRO 20 13.010 4.135 7.891 186 2HG PRO 20 2HG PRO 20 12.367 2.607 8.517 187 1HD PRO 20 1HD PRO 20 11.970 3.891 5.873 188 2HD PRO 20 2HD PRO 20 11.973 2.170 6.309 189 H ARG 21 H ARG 21 8.572 4.673 10.011 190 HA ARG 21 HA ARG 21 6.567 6.143 8.504 191 1HB ARG 21 1HB ARG 21 6.807 5.039 11.176 192 2HB ARG 21 2HB ARG 21 6.273 6.713 11.232 193 1HG ARG 21 1HG ARG 21 4.256 6.239 10.344 194 2HG ARG 21 2HG ARG 21 4.894 4.980 9.287 195 1HD ARG 21 1HD ARG 21 4.691 3.349 10.870 196 2HD ARG 21 2HD ARG 21 4.921 4.472 12.209 197 HE ARG 21 HE ARG 21 2.444 4.827 10.780 198 1HH1 ARG 21 1HH1 ARG 21 2.584 2.820 14.245 199 2HH1 ARG 21 2HH1 ARG 21 4.053 3.163 13.394 200 1HH2 ARG 21 1HH2 ARG 21 0.574 3.501 13.396 201 2HH2 ARG 21 2HH2 ARG 21 0.510 4.370 11.899 202 H GLN 22 H GLN 22 9.604 6.658 9.882 203 HA GLN 22 HA GLN 22 9.384 9.323 10.774 204 1HB GLN 22 1HB GLN 22 11.218 7.610 11.244 205 2HB GLN 22 2HB GLN 22 11.881 8.053 9.678 206 1HG GLN 22 1HG GLN 22 12.090 10.374 10.433 207 2HG GLN 22 2HG GLN 22 11.452 9.909 12.009 208 1HE2 GLN 22 1HE2 GLN 22 15.211 8.691 10.928 209 2HE2 GLN 22 2HE2 GLN 22 14.000 8.969 9.727 210 H LEU 23 H LEU 23 10.055 7.908 7.645 211 HA LEU 23 HA LEU 23 10.394 10.590 6.524 212 1HB LEU 23 1HB LEU 23 11.477 9.619 4.653 213 2HB LEU 23 2HB LEU 23 12.170 8.906 6.091 214 HG LEU 23 HG LEU 23 11.945 7.243 4.349 215 1HD1 LEU 23 1HD1 LEU 23 11.515 6.615 6.760 216 2HD1 LEU 23 2HD1 LEU 23 9.800 6.627 6.356 217 3HD1 LEU 23 3HD1 LEU 23 10.885 5.505 5.537 218 1HD2 LEU 23 1HD2 LEU 23 10.062 6.784 3.167 219 2HD2 LEU 23 2HD2 LEU 23 8.985 7.386 4.424 220 3HD2 LEU 23 3HD2 LEU 23 9.878 8.516 3.403 221 H TRP 24 H TRP 24 7.899 8.779 7.206 222 HA TRP 24 HA TRP 24 6.434 8.268 4.911 223 1HB TRP 24 1HB TRP 24 5.681 7.497 7.058 224 2HB TRP 24 2HB TRP 24 5.553 9.139 7.665 225 HD1 TRP 24 HD1 TRP 24 3.338 10.475 7.124 226 HE1 TRP 24 HE1 TRP 24 1.056 9.763 6.168 227 HE3 TRP 24 HE3 TRP 24 4.620 5.879 5.299 228 HZ2 TRP 24 HZ2 TRP 24 -0.055 7.539 4.823 229 HZ3 TRP 24 HZ3 TRP 24 2.893 4.520 4.194 230 HH2 TRP 24 HH2 TRP 24 0.604 5.337 3.959 231 H GLY 25 H GLY 25 6.732 9.883 3.354 232 1HA GLY 25 1HA GLY 25 4.810 11.844 3.126 233 2HA GLY 25 2HA GLY 25 6.187 12.638 3.874 234 H ASP 26 H ASP 26 8.146 10.993 2.450 235 HA ASP 26 HA ASP 26 8.270 12.574 0.046 236 1HB ASP 26 1HB ASP 26 10.200 11.755 1.660 237 2HB ASP 26 2HB ASP 26 10.195 10.356 0.592 238 H PHE 27 H PHE 27 6.612 11.866 -1.282 239 HA PHE 27 HA PHE 27 5.841 9.295 -1.885 240 1HB PHE 27 1HB PHE 27 4.664 11.325 -2.647 241 2HB PHE 27 2HB PHE 27 5.959 11.634 -3.797 242 HD1 PHE 27 HD1 PHE 27 5.420 11.147 -5.961 243 HD2 PHE 27 HD2 PHE 27 3.823 8.712 -2.858 244 HE1 PHE 27 HE1 PHE 27 4.249 9.783 -7.640 245 HE2 PHE 27 HE2 PHE 27 2.649 7.345 -4.533 246 HZ PHE 27 HZ PHE 27 2.863 7.878 -6.926 247 H GLY 28 H GLY 28 8.509 11.147 -3.280 248 1HA GLY 28 1HA GLY 28 9.164 9.378 -5.360 249 2HA GLY 28 2HA GLY 28 10.271 10.513 -4.606 250 H ARG 29 H ARG 29 9.910 9.269 -1.946 251 HA ARG 29 HA ARG 29 11.919 7.219 -2.270 252 1HB ARG 29 1HB ARG 29 10.620 8.426 0.173 253 2HB ARG 29 2HB ARG 29 11.854 7.177 0.247 254 1HG ARG 29 1HG ARG 29 13.115 8.951 -1.316 255 2HG ARG 29 2HG ARG 29 12.096 10.047 -0.382 256 1HD ARG 29 1HD ARG 29 13.551 9.917 1.289 257 2HD ARG 29 2HD ARG 29 13.168 8.204 1.448 258 HE ARG 29 HE ARG 29 15.259 9.146 -0.400 259 1HH1 ARG 29 1HH1 ARG 29 15.722 6.218 2.296 260 2HH1 ARG 29 2HH1 ARG 29 14.239 7.103 2.252 261 1HH2 ARG 29 1HH2 ARG 29 17.404 6.711 0.837 262 2HH2 ARG 29 2HH2 ARG 29 17.206 7.975 -0.328 263 H MET 30 H MET 30 8.638 7.383 -0.885 264 HA MET 30 HA MET 30 8.483 4.622 -0.294 265 1HB MET 30 1HB MET 30 5.967 5.079 -0.259 266 2HB MET 30 2HB MET 30 6.967 5.971 0.879 267 1HG MET 30 1HG MET 30 6.837 7.551 -1.433 268 2HG MET 30 2HG MET 30 5.206 6.945 -1.160 269 1HE MET 30 1HE MET 30 4.329 7.961 2.325 270 2HE MET 30 2HE MET 30 4.685 6.503 1.401 271 3HE MET 30 3HE MET 30 5.835 7.087 2.605 272 H GLN 31 H GLN 31 7.548 6.515 -3.129 273 HA GLN 31 HA GLN 31 6.191 4.430 -4.470 274 1HB GLN 31 1HB GLN 31 5.953 6.794 -5.106 275 2HB GLN 31 2HB GLN 31 7.631 6.826 -5.629 276 1HG GLN 31 1HG GLN 31 7.032 5.012 -7.272 277 2HG GLN 31 2HG GLN 31 5.347 5.310 -6.852 278 1HE2 GLN 31 1HE2 GLN 31 7.404 7.901 -9.210 279 2HE2 GLN 31 2HE2 GLN 31 8.200 6.623 -8.363 280 H GLN 32 H GLN 32 9.558 5.545 -4.575 281 HA GLN 32 HA GLN 32 10.445 3.778 -6.577 282 1HB GLN 32 1HB GLN 32 11.756 5.373 -4.424 283 2HB GLN 32 2HB GLN 32 12.698 4.112 -5.208 284 1HG GLN 32 1HG GLN 32 11.393 5.609 -7.229 285 2HG GLN 32 2HG GLN 32 12.149 6.742 -6.110 286 1HE2 GLN 32 1HE2 GLN 32 14.357 4.949 -8.842 287 2HE2 GLN 32 2HE2 GLN 32 12.634 5.080 -8.861 288 H ALA 33 H ALA 33 10.197 3.467 -3.076 289 HA ALA 33 HA ALA 33 11.473 0.922 -2.934 290 1HB ALA 33 1HB ALA 33 10.982 2.741 -1.082 291 2HB ALA 33 2HB ALA 33 9.528 1.770 -0.851 292 3HB ALA 33 3HB ALA 33 11.120 1.029 -0.678 293 H TYR 34 H TYR 34 8.226 2.029 -3.524 294 HA TYR 34 HA TYR 34 6.802 -0.308 -2.931 295 1HB TYR 34 1HB TYR 34 5.637 1.777 -3.326 296 2HB TYR 34 2HB TYR 34 6.249 1.851 -4.976 297 HD1 TYR 34 HD1 TYR 34 5.444 0.170 -6.653 298 HD2 TYR 34 HD2 TYR 34 3.674 0.557 -2.802 299 HE1 TYR 34 HE1 TYR 34 3.463 -1.054 -7.447 300 HE2 TYR 34 HE2 TYR 34 1.690 -0.667 -3.587 301 HH TYR 34 HH TYR 34 0.894 -1.099 -6.674 302 H LYS 35 H LYS 35 8.320 0.779 -5.944 303 HA LYS 35 HA LYS 35 7.557 -1.523 -7.437 304 1HB LYS 35 1HB LYS 35 9.093 0.922 -7.887 305 2HB LYS 35 2HB LYS 35 9.758 -0.467 -8.737 306 1HG LYS 35 1HG LYS 35 8.297 0.305 -10.306 307 2HG LYS 35 2HG LYS 35 7.249 -0.822 -9.441 308 1HD LYS 35 1HD LYS 35 6.518 1.139 -8.026 309 2HD LYS 35 2HD LYS 35 7.368 2.174 -9.174 310 1HE LYS 35 1HE LYS 35 4.962 1.998 -9.663 311 2HE LYS 35 2HE LYS 35 5.967 1.392 -10.978 312 1HZ LYS 35 1HZ LYS 35 5.121 -0.569 -9.006 313 2HZ LYS 35 2HZ LYS 35 3.896 0.060 -9.989 314 3HZ LYS 35 3HZ LYS 35 5.234 -0.704 -10.690 315 H GLN 36 H GLN 36 10.235 -0.735 -5.363 316 HA GLN 36 HA GLN 36 11.981 -2.797 -6.278 317 1HB GLN 36 1HB GLN 36 12.355 -0.611 -4.754 318 2HB GLN 36 2HB GLN 36 12.224 -1.825 -3.488 319 1HG GLN 36 1HG GLN 36 14.088 -3.014 -4.296 320 2HG GLN 36 2HG GLN 36 14.090 -2.127 -5.819 321 1HE2 GLN 36 1HE2 GLN 36 16.813 -0.559 -4.149 322 2HE2 GLN 36 2HE2 GLN 36 16.397 -1.928 -5.119 323 H GLN 37 H GLN 37 9.585 -2.533 -3.700 324 HA GLN 37 HA GLN 37 10.159 -5.111 -2.579 325 1HB GLN 37 1HB GLN 37 8.130 -2.978 -2.160 326 2HB GLN 37 2HB GLN 37 7.701 -4.602 -1.642 327 1HG GLN 37 1HG GLN 37 10.272 -3.313 -0.806 328 2HG GLN 37 2HG GLN 37 8.767 -3.046 0.071 329 1HE2 GLN 37 1HE2 GLN 37 8.557 -6.600 0.937 330 2HE2 GLN 37 2HE2 GLN 37 7.579 -5.430 0.128 331 H SER 38 H SER 38 8.324 -3.977 -5.238 332 HA SER 38 HA SER 38 6.419 -6.087 -5.355 333 1HB SER 38 1HB SER 38 7.390 -4.028 -7.325 334 2HB SER 38 2HB SER 38 6.272 -5.301 -7.816 335 HG SER 38 HG SER 38 4.890 -4.569 -6.090 336 H LEU 39 H LEU 39 9.699 -5.680 -6.471 337 HA LEU 39 HA LEU 39 9.700 -7.859 -8.306 338 1HB LEU 39 1HB LEU 39 11.736 -6.083 -7.083 339 2HB LEU 39 2HB LEU 39 12.299 -7.621 -7.709 340 HG LEU 39 HG LEU 39 10.807 -5.535 -9.300 341 1HD1 LEU 39 1HD1 LEU 39 13.695 -6.139 -8.910 342 2HD1 LEU 39 2HD1 LEU 39 13.142 -5.614 -10.501 343 3HD1 LEU 39 3HD1 LEU 39 12.879 -4.586 -9.093 344 1HD2 LEU 39 1HD2 LEU 39 11.902 -8.245 -9.987 345 2HD2 LEU 39 2HD2 LEU 39 10.279 -7.612 -10.256 346 3HD2 LEU 39 3HD2 LEU 39 11.631 -7.005 -11.213 347 H LEU 40 H LEU 40 10.308 -7.557 -4.863 348 HA LEU 40 HA LEU 40 11.305 -10.280 -4.713 349 1HB LEU 40 1HB LEU 40 11.530 -9.825 -2.285 350 2HB LEU 40 2HB LEU 40 12.425 -8.720 -3.307 351 HG LEU 40 HG LEU 40 10.045 -7.389 -2.920 352 1HD1 LEU 40 1HD1 LEU 40 10.778 -8.911 -0.434 353 2HD1 LEU 40 2HD1 LEU 40 9.843 -7.417 -0.407 354 3HD1 LEU 40 3HD1 LEU 40 9.214 -8.835 -1.244 355 1HD2 LEU 40 1HD2 LEU 40 12.205 -6.346 -2.904 356 2HD2 LEU 40 2HD2 LEU 40 11.402 -5.985 -1.376 357 3HD2 LEU 40 3HD2 LEU 40 12.662 -7.214 -1.438 358 H LEU 41 H LEU 41 8.302 -8.679 -4.509 359 HA LEU 41 HA LEU 41 7.089 -10.836 -2.950 360 1HB LEU 41 1HB LEU 41 6.005 -8.217 -3.978 361 2HB LEU 41 2HB LEU 41 5.000 -9.432 -3.210 362 HG LEU 41 HG LEU 41 7.393 -8.247 -1.824 363 1HD1 LEU 41 1HD1 LEU 41 5.974 -6.390 -2.406 364 2HD1 LEU 41 2HD1 LEU 41 4.551 -7.247 -1.817 365 3HD1 LEU 41 3HD1 LEU 41 5.805 -6.738 -0.686 366 1HD2 LEU 41 1HD2 LEU 41 5.331 -10.191 -1.180 367 2HD2 LEU 41 2HD2 LEU 41 6.859 -9.849 -0.366 368 3HD2 LEU 41 3HD2 LEU 41 5.427 -8.888 0.006 369 H HIS 42 H HIS 42 8.058 -10.665 -5.969 370 HA HIS 42 HA HIS 42 5.620 -11.454 -7.320 371 1HB HIS 42 1HB HIS 42 7.470 -10.001 -8.334 372 2HB HIS 42 2HB HIS 42 8.398 -11.487 -8.488 373 HD1 HIS 42 HD1 HIS 42 5.101 -10.012 -9.663 374 HD2 HIS 42 HD2 HIS 42 7.876 -12.903 -10.738 375 HE1 HIS 42 HE1 HIS 42 4.362 -10.846 -11.920 376 HE2 HIS 42 HE2 HIS 42 5.992 -12.680 -12.493 377 HA PRO 43 HA PRO 43 5.781 -15.795 -6.453 378 1HB PRO 43 1HB PRO 43 5.036 -15.900 -9.352 379 2HB PRO 43 2HB PRO 43 4.341 -16.775 -7.981 380 1HG PRO 43 1HG PRO 43 3.107 -14.645 -8.994 381 2HG PRO 43 2HG PRO 43 3.139 -14.934 -7.246 382 1HD PRO 43 1HD PRO 43 4.614 -12.924 -8.855 383 2HD PRO 43 2HD PRO 43 4.084 -12.853 -7.164 384 H ASP 44 H ASP 44 7.392 -14.484 -9.331 385 HA ASP 44 HA ASP 44 8.941 -16.872 -9.747 386 1HB ASP 44 1HB ASP 44 8.492 -14.383 -11.156 387 2HB ASP 44 2HB ASP 44 10.202 -14.801 -11.137 388 H LYS 45 H LYS 45 9.267 -14.089 -7.770 389 HA LYS 45 HA LYS 45 12.097 -14.755 -7.288 390 1HB LYS 45 1HB LYS 45 10.815 -12.134 -6.549 391 2HB LYS 45 2HB LYS 45 12.526 -12.512 -6.683 392 1HG LYS 45 1HG LYS 45 10.628 -12.479 -9.016 393 2HG LYS 45 2HG LYS 45 11.626 -11.108 -8.526 394 1HD LYS 45 1HD LYS 45 13.634 -12.307 -8.975 395 2HD LYS 45 2HD LYS 45 12.754 -13.823 -9.183 396 1HE LYS 45 1HE LYS 45 11.750 -13.044 -11.204 397 2HE LYS 45 2HE LYS 45 12.366 -11.414 -10.947 398 1HZ LYS 45 1HZ LYS 45 14.644 -12.703 -10.964 399 2HZ LYS 45 2HZ LYS 45 13.760 -13.798 -11.903 400 3HZ LYS 45 3HZ LYS 45 13.909 -12.187 -12.399 401 H GLY 46 H GLY 46 9.780 -16.078 -6.128 402 1HA GLY 46 1HA GLY 46 9.142 -16.902 -4.084 403 2HA GLY 46 2HA GLY 46 10.624 -16.204 -3.445 404 H GLY 47 H GLY 47 7.224 -15.944 -3.642 405 1HA GLY 47 1HA GLY 47 7.097 -14.052 -1.546 406 2HA GLY 47 2HA GLY 47 6.789 -13.248 -3.078 407 H SER 48 H SER 48 4.871 -13.300 -1.104 408 HA SER 48 HA SER 48 2.998 -15.426 -1.755 409 1HB SER 48 1HB SER 48 3.342 -13.511 0.433 410 2HB SER 48 2HB SER 48 1.662 -13.681 -0.078 411 HG SER 48 HG SER 48 1.720 -15.406 1.119 412 H HIS 49 H HIS 49 0.851 -15.014 -2.485 413 HA HIS 49 HA HIS 49 0.746 -12.930 -4.482 414 1HB HIS 49 1HB HIS 49 -0.227 -15.470 -4.403 415 2HB HIS 49 2HB HIS 49 -1.670 -14.555 -3.985 416 HD1 HIS 49 HD1 HIS 49 0.647 -12.879 -6.333 417 HD2 HIS 49 HD2 HIS 49 -2.689 -15.348 -6.535 418 HE1 HIS 49 HE1 HIS 49 -0.159 -12.727 -8.707 419 HE2 HIS 49 HE2 HIS 49 -2.102 -14.324 -8.836 420 H ALA 50 H ALA 50 -0.838 -13.714 -1.440 421 HA ALA 50 HA ALA 50 -2.869 -11.777 -1.536 422 1HB ALA 50 1HB ALA 50 -3.382 -13.082 0.205 423 2HB ALA 50 2HB ALA 50 -1.701 -13.538 0.477 424 3HB ALA 50 3HB ALA 50 -2.322 -12.026 1.137 425 H LEU 51 H LEU 51 0.518 -11.552 -0.767 426 HA LEU 51 HA LEU 51 0.373 -9.015 0.546 427 1HB LEU 51 1HB LEU 51 2.490 -10.859 -0.364 428 2HB LEU 51 2HB LEU 51 2.942 -9.167 -0.319 429 HG LEU 51 HG LEU 51 1.716 -9.556 2.133 430 1HD1 LEU 51 1HD1 LEU 51 2.172 -11.590 2.996 431 2HD1 LEU 51 2HD1 LEU 51 2.088 -12.085 1.305 432 3HD1 LEU 51 3HD1 LEU 51 3.653 -11.777 2.057 433 1HD2 LEU 51 1HD2 LEU 51 3.770 -8.982 3.004 434 2HD2 LEU 51 2HD2 LEU 51 4.660 -9.926 1.808 435 3HD2 LEU 51 3HD2 LEU 51 3.914 -8.398 1.345 436 H MET 52 H MET 52 1.348 -10.073 -2.698 437 HA MET 52 HA MET 52 2.013 -7.586 -3.753 438 1HB MET 52 1HB MET 52 2.072 -10.112 -4.693 439 2HB MET 52 2HB MET 52 0.680 -9.502 -5.575 440 1HG MET 52 1HG MET 52 3.411 -8.237 -5.560 441 2HG MET 52 2HG MET 52 2.781 -9.288 -6.828 442 1HE MET 52 1HE MET 52 3.013 -5.111 -6.930 443 2HE MET 52 2HE MET 52 2.103 -5.279 -5.429 444 3HE MET 52 3HE MET 52 3.589 -6.200 -5.669 445 H GLN 53 H GLN 53 -1.133 -9.161 -3.477 446 HA GLN 53 HA GLN 53 -2.464 -7.105 -4.998 447 1HB GLN 53 1HB GLN 53 -4.556 -8.306 -4.151 448 2HB GLN 53 2HB GLN 53 -3.481 -9.204 -5.211 449 1HG GLN 53 1HG GLN 53 -3.188 -10.781 -3.688 450 2HG GLN 53 2HG GLN 53 -2.733 -9.594 -2.466 451 1HE2 GLN 53 1HE2 GLN 53 -6.182 -11.497 -2.162 452 2HE2 GLN 53 2HE2 GLN 53 -4.862 -11.968 -3.172 453 H GLU 54 H GLU 54 -2.101 -7.938 -1.575 454 HA GLU 54 HA GLU 54 -3.931 -6.009 -0.594 455 1HB GLU 54 1HB GLU 54 -1.857 -7.762 0.550 456 2HB GLU 54 2HB GLU 54 -2.131 -6.276 1.446 457 1HG GLU 54 1HG GLU 54 -4.520 -7.821 0.639 458 2HG GLU 54 2HG GLU 54 -3.499 -8.504 1.903 459 H LEU 55 H LEU 55 -0.560 -5.899 -1.501 460 HA LEU 55 HA LEU 55 0.063 -3.399 -0.333 461 1HB LEU 55 1HB LEU 55 1.836 -4.868 -0.920 462 2HB LEU 55 2HB LEU 55 1.277 -4.995 -2.573 463 HG LEU 55 HG LEU 55 1.794 -2.433 -2.661 464 1HD1 LEU 55 1HD1 LEU 55 4.027 -2.341 -1.149 465 2HD1 LEU 55 2HD1 LEU 55 2.467 -1.688 -0.648 466 3HD1 LEU 55 3HD1 LEU 55 2.968 -3.289 -0.104 467 1HD2 LEU 55 1HD2 LEU 55 3.632 -2.999 -3.845 468 2HD2 LEU 55 2HD2 LEU 55 4.290 -4.000 -2.550 469 3HD2 LEU 55 3HD2 LEU 55 3.014 -4.633 -3.590 470 H ASN 56 H ASN 56 -0.931 -4.346 -3.611 471 HA ASN 56 HA ASN 56 -0.826 -1.819 -4.794 472 1HB ASN 56 1HB ASN 56 -2.203 -4.380 -5.386 473 2HB ASN 56 2HB ASN 56 -2.840 -2.942 -6.180 474 1HD2 ASN 56 1HD2 ASN 56 0.824 -4.424 -7.167 475 2HD2 ASN 56 2HD2 ASN 56 0.029 -4.905 -5.711 476 H SER 57 H SER 57 -3.463 -3.427 -3.059 477 HA SER 57 HA SER 57 -5.392 -1.410 -3.486 478 1HB SER 57 1HB SER 57 -5.439 -3.919 -2.395 479 2HB SER 57 2HB SER 57 -5.622 -2.908 -0.961 480 HG SER 57 HG SER 57 -7.307 -1.802 -2.293 481 H LEU 58 H LEU 58 -2.843 -1.815 -1.131 482 HA LEU 58 HA LEU 58 -3.795 0.301 0.579 483 1HB LEU 58 1HB LEU 58 -1.495 -1.569 0.557 484 2HB LEU 58 2HB LEU 58 -1.263 -0.046 1.397 485 HG LEU 58 HG LEU 58 -3.552 -1.920 1.983 486 1HD1 LEU 58 1HD1 LEU 58 -1.859 -3.255 2.706 487 2HD1 LEU 58 2HD1 LEU 58 -0.743 -1.909 2.934 488 3HD1 LEU 58 3HD1 LEU 58 -2.011 -2.214 4.120 489 1HD2 LEU 58 1HD2 LEU 58 -4.209 -0.442 3.537 490 2HD2 LEU 58 2HD2 LEU 58 -2.557 -0.098 4.046 491 3HD2 LEU 58 3HD2 LEU 58 -3.232 0.716 2.636 492 H TRP 59 H TRP 59 -1.646 -0.006 -2.142 493 HA TRP 59 HA TRP 59 -0.466 2.608 -1.714 494 1HB TRP 59 1HB TRP 59 0.990 0.906 -2.595 495 2HB TRP 59 2HB TRP 59 -0.142 0.528 -3.884 496 HD1 TRP 59 HD1 TRP 59 0.208 1.735 -6.122 497 HE1 TRP 59 HE1 TRP 59 1.756 3.607 -6.965 498 HE3 TRP 59 HE3 TRP 59 2.190 3.239 -1.652 499 HZ2 TRP 59 HZ2 TRP 59 3.581 5.464 -5.888 500 HZ3 TRP 59 HZ3 TRP 59 3.844 5.062 -1.654 501 HH2 TRP 59 HH2 TRP 59 4.518 6.153 -3.727 502 H GLY 60 H GLY 60 -3.039 1.109 -3.506 503 1HA GLY 60 1HA GLY 60 -3.404 3.149 -5.450 504 2HA GLY 60 2HA GLY 60 -4.598 1.952 -4.978 505 H THR 61 H THR 61 -5.463 2.394 -2.615 506 HA THR 61 HA THR 61 -6.971 4.729 -2.650 507 HB THR 61 HB THR 61 -6.919 2.556 -1.056 508 HG1 THR 61 HG1 THR 61 -8.758 3.433 -0.594 509 1HG2 THR 61 1HG2 THR 61 -5.370 4.519 0.446 510 2HG2 THR 61 2HG2 THR 61 -6.716 3.778 1.293 511 3HG2 THR 61 3HG2 THR 61 -5.454 2.766 0.592 512 H PHE 62 H PHE 62 -4.017 3.946 -0.988 513 HA PHE 62 HA PHE 62 -3.337 6.260 0.325 514 1HB PHE 62 1HB PHE 62 -1.991 4.238 0.412 515 2HB PHE 62 2HB PHE 62 -1.607 4.389 -1.301 516 HD1 PHE 62 HD1 PHE 62 -1.574 7.407 0.740 517 HD2 PHE 62 HD2 PHE 62 0.742 4.154 -0.738 518 HE1 PHE 62 HE1 PHE 62 0.493 8.620 1.306 519 HE2 PHE 62 HE2 PHE 62 2.804 5.361 -0.171 520 HZ PHE 62 HZ PHE 62 2.685 7.591 0.845 521 H LYS 63 H LYS 63 -2.614 5.383 -3.002 522 HA LYS 63 HA LYS 63 -1.368 7.732 -3.821 523 1HB LYS 63 1HB LYS 63 -2.244 5.282 -4.959 524 2HB LYS 63 2HB LYS 63 -2.831 6.564 -5.982 525 1HG LYS 63 1HG LYS 63 -0.562 7.439 -6.205 526 2HG LYS 63 2HG LYS 63 0.030 6.159 -5.148 527 1HD LYS 63 1HD LYS 63 -1.088 5.929 -7.928 528 2HD LYS 63 2HD LYS 63 0.491 5.420 -7.334 529 1HE LYS 63 1HE LYS 63 -0.453 3.380 -7.294 530 2HE LYS 63 2HE LYS 63 -1.138 3.924 -5.762 531 1HZ LYS 63 1HZ LYS 63 -2.482 4.183 -8.403 532 2HZ LYS 63 2HZ LYS 63 -2.791 2.950 -7.288 533 3HZ LYS 63 3HZ LYS 63 -3.148 4.555 -6.892 534 H THR 64 H THR 64 -4.799 6.885 -3.662 535 HA THR 64 HA THR 64 -5.902 8.905 -5.202 536 HB THR 64 HB THR 64 -6.952 7.919 -2.538 537 HG1 THR 64 HG1 THR 64 -7.926 6.320 -3.671 538 1HG2 THR 64 1HG2 THR 64 -8.019 9.981 -3.665 539 2HG2 THR 64 2HG2 THR 64 -8.661 8.806 -4.811 540 3HG2 THR 64 3HG2 THR 64 -9.051 8.669 -3.096 541 H GLU 65 H GLU 65 -4.574 8.980 -1.974 542 HA GLU 65 HA GLU 65 -5.209 11.780 -1.583 543 1HB GLU 65 1HB GLU 65 -3.370 10.135 0.144 544 2HB GLU 65 2HB GLU 65 -4.335 11.531 0.598 545 1HG GLU 65 1HG GLU 65 -5.794 9.139 -0.345 546 2HG GLU 65 2HG GLU 65 -5.008 9.039 1.227 547 H VAL 66 H VAL 66 -2.547 9.749 -2.561 548 HA VAL 66 HA VAL 66 -0.416 11.458 -2.217 549 HB VAL 66 HB VAL 66 -0.856 9.393 -4.352 550 1HG1 VAL 66 1HG1 VAL 66 1.865 10.391 -3.647 551 2HG1 VAL 66 2HG1 VAL 66 1.298 9.618 -5.125 552 3HG1 VAL 66 3HG1 VAL 66 0.899 11.302 -4.804 553 1HG2 VAL 66 1HG2 VAL 66 0.833 9.348 -1.854 554 2HG2 VAL 66 2HG2 VAL 66 -0.774 8.642 -1.992 555 3HG2 VAL 66 3HG2 VAL 66 0.552 8.008 -2.966 556 H TYR 67 H TYR 67 -2.806 11.365 -4.790 557 HA TYR 67 HA TYR 67 -1.503 13.199 -6.514 558 1HB TYR 67 1HB TYR 67 -3.423 11.593 -7.079 559 2HB TYR 67 2HB TYR 67 -4.488 12.803 -6.370 560 HD1 TYR 67 HD1 TYR 67 -2.421 11.928 -9.229 561 HD2 TYR 67 HD2 TYR 67 -4.735 15.017 -7.437 562 HE1 TYR 67 HE1 TYR 67 -2.467 13.130 -11.374 563 HE2 TYR 67 HE2 TYR 67 -4.788 16.227 -9.578 564 HH TYR 67 HH TYR 67 -2.803 15.346 -12.235 565 H ASN 68 H ASN 68 -3.835 13.567 -3.899 566 HA ASN 68 HA ASN 68 -3.979 16.433 -4.329 567 1HB ASN 68 1HB ASN 68 -5.673 16.453 -2.595 568 2HB ASN 68 2HB ASN 68 -6.027 15.179 -3.756 569 1HD2 ASN 68 1HD2 ASN 68 -6.569 13.093 -1.049 570 2HD2 ASN 68 2HD2 ASN 68 -7.207 13.901 -2.436 571 H LEU 69 H LEU 69 -1.955 14.333 -2.631 572 HA LEU 69 HA LEU 69 -1.517 15.870 -0.282 573 1HB LEU 69 1HB LEU 69 0.132 14.369 0.245 574 2HB LEU 69 2HB LEU 69 -0.766 13.414 -0.914 575 HG LEU 69 HG LEU 69 0.951 14.407 -2.637 576 1HD1 LEU 69 1HD1 LEU 69 1.896 15.878 -0.724 577 2HD1 LEU 69 2HD1 LEU 69 2.713 14.405 -0.212 578 3HD1 LEU 69 3HD1 LEU 69 3.022 15.071 -1.814 579 1HD2 LEU 69 1HD2 LEU 69 0.942 12.073 -0.917 580 2HD2 LEU 69 2HD2 LEU 69 1.337 12.212 -2.631 581 3HD2 LEU 69 3HD2 LEU 69 2.574 12.519 -1.414 582 H ARG 70 H ARG 70 -0.203 15.915 -3.525 583 HA ARG 70 HA ARG 70 1.839 17.820 -2.920 584 1HB ARG 70 1HB ARG 70 0.754 16.868 -5.570 585 2HB ARG 70 2HB ARG 70 2.165 17.900 -5.385 586 1HG ARG 70 1HG ARG 70 3.484 16.159 -5.007 587 2HG ARG 70 2HG ARG 70 2.406 15.533 -3.758 588 1HD ARG 70 1HD ARG 70 2.362 13.827 -5.303 589 2HD ARG 70 2HD ARG 70 0.956 14.772 -5.787 590 HE ARG 70 HE ARG 70 2.721 15.838 -7.389 591 1HH1 ARG 70 1HH1 ARG 70 3.078 11.899 -8.029 592 2HH1 ARG 70 2HH1 ARG 70 2.424 12.461 -6.530 593 1HH2 ARG 70 1HH2 ARG 70 3.729 13.385 -9.633 594 2HH2 ARG 70 2HH2 ARG 70 3.573 15.088 -9.361 595 H MET 71 H MET 71 -1.334 18.155 -2.971 596 HA MET 71 HA MET 71 -1.308 20.851 -4.132 597 1HB MET 71 1HB MET 71 -3.390 18.746 -3.896 598 2HB MET 71 2HB MET 71 -3.926 20.412 -3.729 599 1HG MET 71 1HG MET 71 -2.259 20.401 -5.963 600 2HG MET 71 2HG MET 71 -3.224 18.934 -6.094 601 1HE MET 71 1HE MET 71 -4.384 23.016 -7.304 602 2HE MET 71 2HE MET 71 -3.613 23.004 -5.718 603 3HE MET 71 3HE MET 71 -2.809 22.250 -7.093 604 H ASN 72 H ASN 72 -1.729 19.019 -1.226 605 HA ASN 72 HA ASN 72 -3.139 20.855 0.348 606 1HB ASN 72 1HB ASN 72 -1.043 18.835 1.175 607 2HB ASN 72 2HB ASN 72 -2.144 19.657 2.276 608 1HD2 ASN 72 1HD2 ASN 72 -3.675 16.433 1.701 609 2HD2 ASN 72 2HD2 ASN 72 -2.319 17.119 2.524 610 H LEU 73 H LEU 73 -2.426 22.952 0.086 611 HA LEU 73 HA LEU 73 0.363 23.592 0.587 612 1HB LEU 73 1HB LEU 73 -1.784 24.794 -0.845 613 2HB LEU 73 2HB LEU 73 -1.250 25.932 0.377 614 HG LEU 73 HG LEU 73 1.070 24.872 -0.888 615 1HD1 LEU 73 1HD1 LEU 73 -1.187 25.504 -2.725 616 2HD1 LEU 73 2HD1 LEU 73 0.448 25.984 -3.181 617 3HD1 LEU 73 3HD1 LEU 73 0.081 24.287 -2.870 618 1HD2 LEU 73 1HD2 LEU 73 0.936 27.404 -1.759 619 2HD2 LEU 73 2HD2 LEU 73 -0.246 27.480 -0.453 620 3HD2 LEU 73 3HD2 LEU 73 1.409 26.970 -0.117 621 H GLY 74 H GLY 74 0.552 23.039 2.783 622 1HA GLY 74 1HA GLY 74 -0.937 24.805 4.627 623 2HA GLY 74 2HA GLY 74 -0.386 23.192 5.052 624 H GLY 75 H GLY 75 1.221 25.978 3.514 625 1HA GLY 75 1HA GLY 75 2.905 26.382 5.826 626 2HA GLY 75 2HA GLY 75 3.742 25.664 4.457 627 H THR 76 H THR 76 4.520 26.971 2.919 628 HA THR 76 HA THR 76 4.482 29.776 3.289 629 HB THR 76 HB THR 76 5.264 28.455 0.707 630 HG1 THR 76 HG1 THR 76 7.395 28.412 2.094 631 1HG2 THR 76 1HG2 THR 76 5.847 30.600 0.375 632 2HG2 THR 76 2HG2 THR 76 5.916 30.965 2.099 633 3HG2 THR 76 3HG2 THR 76 7.263 30.138 1.318 634 H GLY 77 H GLY 77 3.608 31.408 1.951 635 1HA GLY 77 1HA GLY 77 1.884 30.904 -0.234 636 2HA GLY 77 2HA GLY 77 0.933 31.081 1.232 637 H PHE 78 H PHE 78 3.932 32.777 0.500 638 HA PHE 78 HA PHE 78 2.908 35.292 1.217 639 1HB PHE 78 1HB PHE 78 5.414 34.214 0.245 640 2HB PHE 78 2HB PHE 78 5.072 35.773 -0.497 641 HD1 PHE 78 HD1 PHE 78 5.411 37.759 0.680 642 HD2 PHE 78 HD2 PHE 78 5.361 34.053 2.771 643 HE1 PHE 78 HE1 PHE 78 6.194 38.900 2.712 644 HE2 PHE 78 HE2 PHE 78 6.144 35.187 4.808 645 HZ PHE 78 HZ PHE 78 6.561 37.615 4.781 646 H GLN 79 H GLN 79 2.721 37.201 -0.179 647 HA GLN 79 HA GLN 79 2.215 36.794 -2.988 648 1HB GLN 79 1HB GLN 79 0.051 36.709 -1.073 649 2HB GLN 79 2HB GLN 79 -0.152 38.063 -2.177 650 1HG GLN 79 1HG GLN 79 0.367 36.269 -4.002 651 2HG GLN 79 2HG GLN 79 -0.131 35.141 -2.742 652 1HE2 GLN 79 1HE2 GLN 79 -3.491 35.625 -3.310 653 2HE2 GLN 79 2HE2 GLN 79 -2.204 34.670 -2.664 Start of MODEL 31 1 1H MET 1 1H MET 1 -19.252 3.115 -1.477 2 2H MET 1 2H MET 1 -20.217 3.824 -0.248 3 3H MET 1 3H MET 1 -19.091 4.783 -1.116 4 HA MET 1 HA MET 1 -18.627 3.787 1.257 5 1HB MET 1 1HB MET 1 -18.869 1.502 -0.054 6 2HB MET 1 2HB MET 1 -17.196 1.826 -0.490 7 1HG MET 1 1HG MET 1 -16.436 1.346 1.558 8 2HG MET 1 2HG MET 1 -17.789 2.138 2.361 9 1HE MET 1 1HE MET 1 -19.926 1.364 2.632 10 2HE MET 1 2HE MET 1 -20.571 0.118 1.563 11 3HE MET 1 3HE MET 1 -20.220 -0.262 3.249 12 H ASP 2 H ASP 2 -17.034 5.090 1.852 13 HA ASP 2 HA ASP 2 -15.321 6.329 -0.085 14 1HB ASP 2 1HB ASP 2 -16.111 6.799 2.646 15 2HB ASP 2 2HB ASP 2 -14.359 6.896 2.508 16 H ARG 3 H ARG 3 -13.311 5.775 -0.664 17 HA ARG 3 HA ARG 3 -12.110 3.442 0.620 18 1HB ARG 3 1HB ARG 3 -11.944 4.711 -2.044 19 2HB ARG 3 2HB ARG 3 -10.442 4.023 -1.444 20 1HG ARG 3 1HG ARG 3 -11.278 2.209 -2.522 21 2HG ARG 3 2HG ARG 3 -12.008 1.957 -0.934 22 1HD ARG 3 1HD ARG 3 -14.099 2.468 -1.664 23 2HD ARG 3 2HD ARG 3 -13.516 3.630 -2.853 24 HE ARG 3 HE ARG 3 -14.178 0.938 -3.337 25 1HH1 ARG 3 1HH1 ARG 3 -11.400 2.582 -5.707 26 2HH1 ARG 3 2HH1 ARG 3 -11.763 3.312 -4.180 27 1HH2 ARG 3 1HH2 ARG 3 -12.500 0.690 -6.369 28 2HH2 ARG 3 2HH2 ARG 3 -13.702 -0.023 -5.343 29 H VAL 4 H VAL 4 -11.394 4.465 2.535 30 HA VAL 4 HA VAL 4 -8.919 5.987 2.154 31 HB VAL 4 HB VAL 4 -9.486 7.419 4.110 32 1HG1 VAL 4 1HG1 VAL 4 -11.601 7.826 2.036 33 2HG1 VAL 4 2HG1 VAL 4 -10.580 9.016 2.842 34 3HG1 VAL 4 3HG1 VAL 4 -9.897 7.961 1.604 35 1HG2 VAL 4 1HG2 VAL 4 -11.439 5.655 4.652 36 2HG2 VAL 4 2HG2 VAL 4 -11.449 7.321 5.226 37 3HG2 VAL 4 3HG2 VAL 4 -12.371 6.879 3.789 38 H LEU 5 H LEU 5 -7.301 5.123 3.215 39 HA LEU 5 HA LEU 5 -7.777 2.994 5.124 40 1HB LEU 5 1HB LEU 5 -5.579 2.363 4.774 41 2HB LEU 5 2HB LEU 5 -6.071 2.965 3.225 42 HG LEU 5 HG LEU 5 -4.560 4.697 5.158 43 1HD1 LEU 5 1HD1 LEU 5 -3.430 2.828 3.078 44 2HD1 LEU 5 2HD1 LEU 5 -2.523 4.091 3.911 45 3HD1 LEU 5 3HD1 LEU 5 -3.181 2.737 4.817 46 1HD2 LEU 5 1HD2 LEU 5 -5.010 6.166 3.564 47 2HD2 LEU 5 2HD2 LEU 5 -3.922 5.247 2.524 48 3HD2 LEU 5 3HD2 LEU 5 -5.650 4.913 2.509 49 H SER 6 H SER 6 -7.078 2.942 7.239 50 HA SER 6 HA SER 6 -6.895 5.557 8.501 51 1HB SER 6 1HB SER 6 -7.203 4.276 10.615 52 2HB SER 6 2HB SER 6 -8.486 3.983 9.440 53 HG SER 6 HG SER 6 -6.369 2.296 10.217 54 H ARG 7 H ARG 7 -5.511 5.235 10.733 55 HA ARG 7 HA ARG 7 -2.849 5.556 10.004 56 1HB ARG 7 1HB ARG 7 -3.753 4.633 12.730 57 2HB ARG 7 2HB ARG 7 -2.336 5.593 12.335 58 1HG ARG 7 1HG ARG 7 -5.201 6.490 12.087 59 2HG ARG 7 2HG ARG 7 -4.072 6.949 13.360 60 1HD ARG 7 1HD ARG 7 -2.761 7.511 10.956 61 2HD ARG 7 2HD ARG 7 -4.416 8.065 10.728 62 HE ARG 7 HE ARG 7 -2.648 8.945 12.918 63 1HH1 ARG 7 1HH1 ARG 7 -5.471 11.197 11.181 64 2HH1 ARG 7 2HH1 ARG 7 -5.271 9.554 10.682 65 1HH2 ARG 7 1HH2 ARG 7 -4.143 12.076 12.815 66 2HH2 ARG 7 2HH2 ARG 7 -2.925 11.102 13.569 67 H ALA 8 H ALA 8 -4.586 2.694 11.074 68 HA ALA 8 HA ALA 8 -2.361 1.012 11.456 69 1HB ALA 8 1HB ALA 8 -4.228 0.104 12.402 70 2HB ALA 8 2HB ALA 8 -5.279 0.608 11.078 71 3HB ALA 8 3HB ALA 8 -4.217 -0.784 10.878 72 H ASP 9 H ASP 9 -4.331 1.721 8.606 73 HA ASP 9 HA ASP 9 -3.143 -0.262 6.957 74 1HB ASP 9 1HB ASP 9 -4.743 2.220 6.383 75 2HB ASP 9 2HB ASP 9 -4.136 1.200 5.102 76 H LYS 10 H LYS 10 -2.734 3.293 6.998 77 HA LYS 10 HA LYS 10 -0.685 3.429 5.135 78 1HB LYS 10 1HB LYS 10 -0.025 5.569 6.336 79 2HB LYS 10 2HB LYS 10 -1.680 5.469 5.761 80 1HG LYS 10 1HG LYS 10 -2.054 6.307 7.828 81 2HG LYS 10 2HG LYS 10 -2.100 4.589 8.208 82 1HD LYS 10 1HD LYS 10 -0.671 5.354 9.842 83 2HD LYS 10 2HD LYS 10 0.476 4.920 8.574 84 1HE LYS 10 1HE LYS 10 1.202 7.023 9.200 85 2HE LYS 10 2HE LYS 10 0.184 7.368 7.801 86 1HZ LYS 10 1HZ LYS 10 -1.649 7.808 9.407 87 2HZ LYS 10 2HZ LYS 10 -0.522 7.698 10.662 88 3HZ LYS 10 3HZ LYS 10 -0.369 8.910 9.494 89 H GLU 11 H GLU 11 -0.519 2.846 8.605 90 HA GLU 11 HA GLU 11 2.329 2.869 8.733 91 1HB GLU 11 1HB GLU 11 0.887 3.232 10.716 92 2HB GLU 11 2HB GLU 11 0.354 1.560 10.614 93 1HG GLU 11 1HG GLU 11 2.072 1.877 12.320 94 2HG GLU 11 2HG GLU 11 2.601 0.782 11.046 95 H ARG 12 H ARG 12 -0.117 0.439 8.134 96 HA ARG 12 HA ARG 12 1.613 -1.816 8.312 97 1HB ARG 12 1HB ARG 12 -0.837 -2.007 8.520 98 2HB ARG 12 2HB ARG 12 -1.016 -1.504 6.844 99 1HG ARG 12 1HG ARG 12 0.563 -3.564 6.407 100 2HG ARG 12 2HG ARG 12 -0.082 -4.092 7.963 101 1HD ARG 12 1HD ARG 12 -2.381 -3.488 6.889 102 2HD ARG 12 2HD ARG 12 -1.499 -3.638 5.373 103 HE ARG 12 HE ARG 12 -1.079 -5.933 5.897 104 1HH1 ARG 12 1HH1 ARG 12 -4.042 -5.855 8.591 105 2HH1 ARG 12 2HH1 ARG 12 -3.351 -4.366 8.046 106 1HH2 ARG 12 1HH2 ARG 12 -3.272 -7.847 7.788 107 2HH2 ARG 12 2HH2 ARG 12 -1.990 -7.882 6.624 108 H LEU 13 H LEU 13 0.506 0.278 5.703 109 HA LEU 13 HA LEU 13 1.615 -1.120 3.538 110 1HB LEU 13 1HB LEU 13 0.031 0.619 3.135 111 2HB LEU 13 2HB LEU 13 1.001 1.793 3.997 112 HG LEU 13 HG LEU 13 2.713 1.097 2.002 113 1HD1 LEU 13 1HD1 LEU 13 0.753 -0.302 1.084 114 2HD1 LEU 13 2HD1 LEU 13 0.066 1.252 0.614 115 3HD1 LEU 13 3HD1 LEU 13 1.630 0.752 -0.025 116 1HD2 LEU 13 1HD2 LEU 13 1.725 3.342 2.876 117 2HD2 LEU 13 2HD2 LEU 13 2.390 3.248 1.244 118 3HD2 LEU 13 3HD2 LEU 13 0.642 3.184 1.490 119 H LEU 14 H LEU 14 2.972 1.053 5.897 120 HA LEU 14 HA LEU 14 5.423 1.574 4.568 121 1HB LEU 14 1HB LEU 14 4.386 1.887 7.346 122 2HB LEU 14 2HB LEU 14 6.113 2.020 7.080 123 HG LEU 14 HG LEU 14 3.938 3.764 5.936 124 1HD1 LEU 14 1HD1 LEU 14 6.344 4.541 7.562 125 2HD1 LEU 14 2HD1 LEU 14 4.912 5.503 7.195 126 3HD1 LEU 14 3HD1 LEU 14 4.793 4.124 8.288 127 1HD2 LEU 14 1HD2 LEU 14 6.516 3.122 4.820 128 2HD2 LEU 14 2HD2 LEU 14 5.229 4.132 4.167 129 3HD2 LEU 14 3HD2 LEU 14 6.428 4.829 5.254 130 H GLU 15 H GLU 15 4.340 -0.881 6.846 131 HA GLU 15 HA GLU 15 6.786 -2.022 7.523 132 1HB GLU 15 1HB GLU 15 4.594 -2.580 8.564 133 2HB GLU 15 2HB GLU 15 4.168 -3.478 7.113 134 1HG GLU 15 1HG GLU 15 6.696 -4.401 8.016 135 2HG GLU 15 2HG GLU 15 5.593 -4.364 9.391 136 H LEU 16 H LEU 16 4.633 -2.754 4.799 137 HA LEU 16 HA LEU 16 6.406 -4.734 3.710 138 1HB LEU 16 1HB LEU 16 3.905 -3.400 2.719 139 2HB LEU 16 2HB LEU 16 4.835 -4.475 1.694 140 HG LEU 16 HG LEU 16 4.251 -5.671 4.281 141 1HD1 LEU 16 1HD1 LEU 16 2.153 -4.138 3.158 142 2HD1 LEU 16 2HD1 LEU 16 1.773 -5.839 2.895 143 3HD1 LEU 16 3HD1 LEU 16 2.092 -5.249 4.527 144 1HD2 LEU 16 1HD2 LEU 16 5.092 -6.849 2.279 145 2HD2 LEU 16 2HD2 LEU 16 3.594 -7.538 2.902 146 3HD2 LEU 16 3HD2 LEU 16 3.562 -6.513 1.468 147 H LEU 17 H LEU 17 6.262 -1.348 3.630 148 HA LEU 17 HA LEU 17 7.595 -1.073 1.061 149 1HB LEU 17 1HB LEU 17 6.327 0.741 3.023 150 2HB LEU 17 2HB LEU 17 7.651 1.409 2.093 151 HG LEU 17 HG LEU 17 5.211 1.720 1.269 152 1HD1 LEU 17 1HD1 LEU 17 6.044 2.202 -0.790 153 2HD1 LEU 17 2HD1 LEU 17 7.554 2.038 0.106 154 3HD1 LEU 17 3HD1 LEU 17 6.970 0.707 -0.888 155 1HD2 LEU 17 1HD2 LEU 17 5.274 -0.473 -0.514 156 2HD2 LEU 17 2HD2 LEU 17 5.421 -1.122 1.117 157 3HD2 LEU 17 3HD2 LEU 17 4.059 -0.087 0.702 158 H LYS 18 H LYS 18 8.542 -1.643 4.252 159 HA LYS 18 HA LYS 18 10.547 -1.495 5.340 160 1HB LYS 18 1HB LYS 18 11.153 -1.990 2.533 161 2HB LYS 18 2HB LYS 18 12.445 -1.130 3.353 162 1HG LYS 18 1HG LYS 18 13.079 -3.293 3.725 163 2HG LYS 18 2HG LYS 18 12.110 -2.993 5.169 164 1HD LYS 18 1HD LYS 18 10.190 -3.859 3.490 165 2HD LYS 18 2HD LYS 18 11.577 -4.744 2.851 166 1HE LYS 18 1HE LYS 18 10.839 -6.221 4.437 167 2HE LYS 18 2HE LYS 18 11.992 -5.286 5.385 168 1HZ LYS 18 1HZ LYS 18 9.592 -5.738 6.266 169 2HZ LYS 18 2HZ LYS 18 10.340 -4.245 6.541 170 3HZ LYS 18 3HZ LYS 18 9.197 -4.403 5.304 171 H LEU 19 H LEU 19 9.044 0.930 4.345 172 HA LEU 19 HA LEU 19 11.173 2.937 4.501 173 1HB LEU 19 1HB LEU 19 9.830 2.933 2.438 174 2HB LEU 19 2HB LEU 19 8.370 3.120 3.386 175 HG LEU 19 HG LEU 19 10.326 5.223 3.905 176 1HD1 LEU 19 1HD1 LEU 19 10.905 5.778 1.838 177 2HD1 LEU 19 2HD1 LEU 19 9.982 4.424 1.188 178 3HD1 LEU 19 3HD1 LEU 19 9.203 5.987 1.430 179 1HD2 LEU 19 1HD2 LEU 19 8.148 6.500 3.137 180 2HD2 LEU 19 2HD2 LEU 19 7.417 4.917 3.384 181 3HD2 LEU 19 3HD2 LEU 19 8.247 5.721 4.715 182 HA PRO 20 HA PRO 20 9.660 3.375 8.744 183 1HB PRO 20 1HB PRO 20 11.174 5.920 8.383 184 2HB PRO 20 2HB PRO 20 11.218 4.764 9.718 185 1HG PRO 20 1HG PRO 20 13.169 4.844 7.896 186 2HG PRO 20 2HG PRO 20 12.615 3.309 8.590 187 1HD PRO 20 1HD PRO 20 12.147 4.447 5.891 188 2HD PRO 20 2HD PRO 20 12.243 2.752 6.402 189 H ARG 21 H ARG 21 8.545 5.073 9.980 190 HA ARG 21 HA ARG 21 6.584 6.424 8.306 191 1HB ARG 21 1HB ARG 21 5.396 6.817 10.462 192 2HB ARG 21 2HB ARG 21 5.686 5.118 10.116 193 1HG ARG 21 1HG ARG 21 7.281 4.915 11.776 194 2HG ARG 21 2HG ARG 21 7.603 6.649 11.819 195 1HD ARG 21 1HD ARG 21 4.863 6.233 12.456 196 2HD ARG 21 2HD ARG 21 5.831 5.135 13.439 197 HE ARG 21 HE ARG 21 7.071 7.586 13.613 198 1HH1 ARG 21 1HH1 ARG 21 3.641 7.399 15.674 199 2HH1 ARG 21 2HH1 ARG 21 3.921 6.291 14.374 200 1HH2 ARG 21 1HH2 ARG 21 5.219 8.965 16.213 201 2HH2 ARG 21 2HH2 ARG 21 6.703 9.048 15.322 202 H GLN 22 H GLN 22 9.511 7.186 9.647 203 HA GLN 22 HA GLN 22 8.985 9.811 10.639 204 1HB GLN 22 1HB GLN 22 11.093 8.041 10.767 205 2HB GLN 22 2HB GLN 22 11.707 9.287 9.689 206 1HG GLN 22 1HG GLN 22 11.438 10.967 11.329 207 2HG GLN 22 2HG GLN 22 10.487 9.903 12.364 208 1HE2 GLN 22 1HE2 GLN 22 14.430 8.878 12.052 209 2HE2 GLN 22 2HE2 GLN 22 13.486 9.201 10.642 210 H LEU 23 H LEU 23 9.959 8.437 7.586 211 HA LEU 23 HA LEU 23 10.099 11.103 6.392 212 1HB LEU 23 1HB LEU 23 11.322 10.160 4.591 213 2HB LEU 23 2HB LEU 23 12.012 9.540 6.074 214 HG LEU 23 HG LEU 23 11.994 7.768 4.481 215 1HD1 LEU 23 1HD1 LEU 23 11.293 7.209 6.822 216 2HD1 LEU 23 2HD1 LEU 23 9.627 7.218 6.243 217 3HD1 LEU 23 3HD1 LEU 23 10.779 6.056 5.586 218 1HD2 LEU 23 1HD2 LEU 23 9.048 7.830 4.158 219 2HD2 LEU 23 2HD2 LEU 23 10.039 8.943 3.212 220 3HD2 LEU 23 3HD2 LEU 23 10.293 7.208 3.080 221 H TRP 24 H TRP 24 7.704 9.208 7.069 222 HA TRP 24 HA TRP 24 6.366 8.433 4.775 223 1HB TRP 24 1HB TRP 24 5.569 7.817 6.961 224 2HB TRP 24 2HB TRP 24 5.317 9.499 7.402 225 HD1 TRP 24 HD1 TRP 24 3.043 10.617 6.695 226 HE1 TRP 24 HE1 TRP 24 0.855 9.687 5.708 227 HE3 TRP 24 HE3 TRP 24 4.699 6.005 5.257 228 HZ2 TRP 24 HZ2 TRP 24 -0.051 7.305 4.489 229 HZ3 TRP 24 HZ3 TRP 24 3.110 4.455 4.185 230 HH2 TRP 24 HH2 TRP 24 0.786 5.098 3.809 231 H GLY 25 H GLY 25 6.404 9.803 3.036 232 1HA GLY 25 1HA GLY 25 4.492 11.611 2.512 233 2HA GLY 25 2HA GLY 25 5.678 12.596 3.353 234 H ASP 26 H ASP 26 7.867 10.878 2.178 235 HA ASP 26 HA ASP 26 8.223 12.457 -0.204 236 1HB ASP 26 1HB ASP 26 10.044 11.843 1.476 237 2HB ASP 26 2HB ASP 26 10.027 10.239 0.751 238 H PHE 27 H PHE 27 6.701 11.752 -1.686 239 HA PHE 27 HA PHE 27 5.932 9.222 -2.350 240 1HB PHE 27 1HB PHE 27 5.023 11.347 -3.309 241 2HB PHE 27 2HB PHE 27 6.418 11.398 -4.381 242 HD1 PHE 27 HD1 PHE 27 6.106 10.597 -6.505 243 HD2 PHE 27 HD2 PHE 27 3.793 8.958 -3.332 244 HE1 PHE 27 HE1 PHE 27 4.920 9.163 -8.115 245 HE2 PHE 27 HE2 PHE 27 2.602 7.521 -4.936 246 HZ PHE 27 HZ PHE 27 3.166 7.622 -7.331 247 H GLY 28 H GLY 28 8.734 10.956 -3.678 248 1HA GLY 28 1HA GLY 28 9.559 9.030 -5.514 249 2HA GLY 28 2HA GLY 28 10.617 10.201 -4.744 250 H ARG 29 H ARG 29 10.215 9.226 -2.048 251 HA ARG 29 HA ARG 29 12.140 7.092 -2.134 252 1HB ARG 29 1HB ARG 29 11.129 8.968 -0.154 253 2HB ARG 29 2HB ARG 29 11.331 7.353 0.513 254 1HG ARG 29 1HG ARG 29 13.633 7.326 0.010 255 2HG ARG 29 2HG ARG 29 13.498 8.737 -1.039 256 1HD ARG 29 1HD ARG 29 12.517 9.547 1.458 257 2HD ARG 29 2HD ARG 29 13.965 8.601 1.799 258 HE ARG 29 HE ARG 29 14.344 10.525 -0.293 259 1HH1 ARG 29 1HH1 ARG 29 15.385 11.396 3.477 260 2HH1 ARG 29 2HH1 ARG 29 14.329 10.058 3.167 261 1HH2 ARG 29 1HH2 ARG 29 16.180 12.660 1.746 262 2HH2 ARG 29 2HH2 ARG 29 15.733 12.285 0.116 263 H MET 30 H MET 30 8.764 7.398 -1.042 264 HA MET 30 HA MET 30 8.497 4.766 -0.103 265 1HB MET 30 1HB MET 30 6.039 5.128 -0.427 266 2HB MET 30 2HB MET 30 6.846 6.367 0.524 267 1HG MET 30 1HG MET 30 6.859 7.862 -1.364 268 2HG MET 30 2HG MET 30 6.163 6.615 -2.395 269 1HE MET 30 1HE MET 30 5.847 8.254 0.939 270 2HE MET 30 2HE MET 30 4.185 8.835 1.047 271 3HE MET 30 3HE MET 30 4.557 7.154 1.427 272 H GLN 31 H GLN 31 7.906 6.153 -3.316 273 HA GLN 31 HA GLN 31 6.859 3.811 -4.483 274 1HB GLN 31 1HB GLN 31 6.727 6.115 -5.466 275 2HB GLN 31 2HB GLN 31 8.429 5.980 -5.887 276 1HG GLN 31 1HG GLN 31 7.759 3.865 -7.153 277 2HG GLN 31 2HG GLN 31 6.102 4.441 -6.978 278 1HE2 GLN 31 1HE2 GLN 31 8.388 5.821 -9.908 279 2HE2 GLN 31 2HE2 GLN 31 8.749 4.437 -8.939 280 H GLN 32 H GLN 32 10.149 5.026 -4.119 281 HA GLN 32 HA GLN 32 11.466 3.154 -5.735 282 1HB GLN 32 1HB GLN 32 12.286 5.305 -4.368 283 2HB GLN 32 2HB GLN 32 12.795 4.063 -3.233 284 1HG GLN 32 1HG GLN 32 14.262 3.091 -4.780 285 2HG GLN 32 2HG GLN 32 13.536 3.954 -6.135 286 1HE2 GLN 32 1HE2 GLN 32 15.055 7.102 -5.028 287 2HE2 GLN 32 2HE2 GLN 32 13.467 6.503 -5.351 288 H ALA 33 H ALA 33 10.283 3.002 -2.452 289 HA ALA 33 HA ALA 33 11.543 0.472 -1.877 290 1HB ALA 33 1HB ALA 33 10.125 2.507 -0.401 291 2HB ALA 33 2HB ALA 33 9.522 0.899 -0.003 292 3HB ALA 33 3HB ALA 33 11.238 1.268 0.180 293 H TYR 34 H TYR 34 8.293 1.648 -2.642 294 HA TYR 34 HA TYR 34 6.857 -0.700 -2.346 295 1HB TYR 34 1HB TYR 34 5.825 1.497 -2.771 296 2HB TYR 34 2HB TYR 34 6.435 1.460 -4.423 297 HD1 TYR 34 HD1 TYR 34 5.677 -0.530 -5.889 298 HD2 TYR 34 HD2 TYR 34 3.705 0.637 -2.297 299 HE1 TYR 34 HE1 TYR 34 3.655 -1.720 -6.618 300 HE2 TYR 34 HE2 TYR 34 1.689 -0.570 -3.020 301 HH TYR 34 HH TYR 34 1.519 -2.186 -6.169 302 H LYS 35 H LYS 35 8.754 0.430 -5.109 303 HA LYS 35 HA LYS 35 8.033 -1.770 -6.788 304 1HB LYS 35 1HB LYS 35 9.880 0.537 -6.944 305 2HB LYS 35 2HB LYS 35 10.319 -0.869 -7.906 306 1HG LYS 35 1HG LYS 35 8.757 -0.435 -9.423 307 2HG LYS 35 2HG LYS 35 7.516 -0.196 -8.191 308 1HD LYS 35 1HD LYS 35 8.154 2.079 -7.882 309 2HD LYS 35 2HD LYS 35 9.598 1.870 -8.874 310 1HE LYS 35 1HE LYS 35 6.760 1.622 -9.864 311 2HE LYS 35 2HE LYS 35 7.777 3.051 -10.053 312 1HZ LYS 35 1HZ LYS 35 7.845 1.756 -12.050 313 2HZ LYS 35 2HZ LYS 35 9.358 1.660 -11.300 314 3HZ LYS 35 3HZ LYS 35 8.281 0.360 -11.199 315 H GLN 36 H GLN 36 10.730 -1.022 -4.642 316 HA GLN 36 HA GLN 36 12.410 -3.153 -5.334 317 1HB GLN 36 1HB GLN 36 12.186 -1.238 -3.140 318 2HB GLN 36 2HB GLN 36 12.814 -2.792 -2.614 319 1HG GLN 36 1HG GLN 36 14.596 -2.666 -4.233 320 2HG GLN 36 2HG GLN 36 13.936 -1.167 -4.885 321 1HE2 GLN 36 1HE2 GLN 36 14.776 0.626 -1.802 322 2HE2 GLN 36 2HE2 GLN 36 13.361 0.305 -2.742 323 H GLN 37 H GLN 37 9.669 -2.946 -3.138 324 HA GLN 37 HA GLN 37 10.009 -5.689 -2.263 325 1HB GLN 37 1HB GLN 37 7.894 -3.625 -1.652 326 2HB GLN 37 2HB GLN 37 7.949 -5.233 -0.939 327 1HG GLN 37 1HG GLN 37 10.304 -3.410 -0.728 328 2HG GLN 37 2HG GLN 37 8.933 -3.227 0.361 329 1HE2 GLN 37 1HE2 GLN 37 9.453 -6.463 1.868 330 2HE2 GLN 37 2HE2 GLN 37 8.182 -5.492 1.216 331 H SER 38 H SER 38 8.355 -3.977 -4.725 332 HA SER 38 HA SER 38 6.211 -5.822 -5.106 333 1HB SER 38 1HB SER 38 7.395 -3.621 -6.790 334 2HB SER 38 2HB SER 38 6.109 -4.659 -7.401 335 HG SER 38 HG SER 38 4.902 -3.209 -6.451 336 H LEU 39 H LEU 39 9.435 -5.416 -6.475 337 HA LEU 39 HA LEU 39 9.175 -7.393 -8.485 338 1HB LEU 39 1HB LEU 39 11.306 -5.727 -7.369 339 2HB LEU 39 2HB LEU 39 11.865 -7.291 -7.934 340 HG LEU 39 HG LEU 39 10.401 -6.582 -10.064 341 1HD1 LEU 39 1HD1 LEU 39 11.263 -4.052 -10.288 342 2HD1 LEU 39 2HD1 LEU 39 9.650 -4.484 -9.722 343 3HD1 LEU 39 3HD1 LEU 39 10.918 -4.101 -8.558 344 1HD2 LEU 39 1HD2 LEU 39 12.509 -7.138 -10.647 345 2HD2 LEU 39 2HD2 LEU 39 12.711 -5.390 -10.744 346 3HD2 LEU 39 3HD2 LEU 39 13.232 -6.258 -9.300 347 H LEU 40 H LEU 40 9.913 -7.552 -5.084 348 HA LEU 40 HA LEU 40 10.856 -10.295 -5.327 349 1HB LEU 40 1HB LEU 40 11.182 -10.185 -2.876 350 2HB LEU 40 2HB LEU 40 12.068 -8.961 -3.762 351 HG LEU 40 HG LEU 40 10.081 -7.408 -3.170 352 1HD1 LEU 40 1HD1 LEU 40 9.329 -9.837 -1.821 353 2HD1 LEU 40 2HD1 LEU 40 9.531 -8.517 -0.670 354 3HD1 LEU 40 3HD1 LEU 40 8.427 -8.339 -2.030 355 1HD2 LEU 40 1HD2 LEU 40 11.864 -8.313 -0.919 356 2HD2 LEU 40 2HD2 LEU 40 12.434 -7.342 -2.276 357 3HD2 LEU 40 3HD2 LEU 40 11.198 -6.704 -1.193 358 H LEU 41 H LEU 41 7.911 -8.657 -4.857 359 HA LEU 41 HA LEU 41 6.663 -10.940 -3.525 360 1HB LEU 41 1HB LEU 41 5.821 -8.124 -4.069 361 2HB LEU 41 2HB LEU 41 4.596 -9.347 -3.780 362 HG LEU 41 HG LEU 41 6.833 -9.061 -1.825 363 1HD1 LEU 41 1HD1 LEU 41 6.320 -6.866 -1.653 364 2HD1 LEU 41 2HD1 LEU 41 4.716 -7.073 -2.357 365 3HD1 LEU 41 3HD1 LEU 41 5.001 -7.502 -0.670 366 1HD2 LEU 41 1HD2 LEU 41 5.525 -10.285 -0.478 367 2HD2 LEU 41 2HD2 LEU 41 4.058 -9.443 -0.969 368 3HD2 LEU 41 3HD2 LEU 41 4.711 -10.736 -1.975 369 H HIS 42 H HIS 42 7.517 -10.352 -6.568 370 HA HIS 42 HA HIS 42 5.030 -10.993 -7.899 371 1HB HIS 42 1HB HIS 42 6.874 -9.462 -8.820 372 2HB HIS 42 2HB HIS 42 7.771 -10.939 -9.153 373 HD1 HIS 42 HD1 HIS 42 7.363 -11.960 -11.371 374 HD2 HIS 42 HD2 HIS 42 4.256 -9.450 -10.222 375 HE1 HIS 42 HE1 HIS 42 5.813 -11.861 -13.349 376 HE2 HIS 42 HE2 HIS 42 3.925 -10.361 -12.622 377 HA PRO 43 HA PRO 43 5.187 -15.406 -7.664 378 1HB PRO 43 1HB PRO 43 4.629 -15.216 -10.593 379 2HB PRO 43 2HB PRO 43 3.833 -16.199 -9.359 380 1HG PRO 43 1HG PRO 43 2.700 -13.965 -10.281 381 2HG PRO 43 2HG PRO 43 2.565 -14.431 -8.576 382 1HD PRO 43 1HD PRO 43 4.182 -12.278 -9.824 383 2HD PRO 43 2HD PRO 43 3.502 -12.381 -8.190 384 H ASP 44 H ASP 44 6.725 -13.894 -10.496 385 HA ASP 44 HA ASP 44 8.437 -16.082 -11.062 386 1HB ASP 44 1HB ASP 44 7.731 -13.781 -12.372 387 2HB ASP 44 2HB ASP 44 9.395 -13.437 -11.908 388 H LYS 45 H LYS 45 8.521 -13.814 -8.565 389 HA LYS 45 HA LYS 45 11.401 -14.284 -8.166 390 1HB LYS 45 1HB LYS 45 9.700 -11.905 -7.432 391 2HB LYS 45 2HB LYS 45 11.297 -12.175 -6.751 392 1HG LYS 45 1HG LYS 45 11.875 -10.832 -8.474 393 2HG LYS 45 2HG LYS 45 11.943 -12.382 -9.313 394 1HD LYS 45 1HD LYS 45 9.651 -12.031 -10.123 395 2HD LYS 45 2HD LYS 45 9.606 -10.473 -9.302 396 1HE LYS 45 1HE LYS 45 11.467 -11.263 -11.537 397 2HE LYS 45 2HE LYS 45 10.085 -10.175 -11.662 398 1HZ LYS 45 1HZ LYS 45 12.302 -9.073 -11.459 399 2HZ LYS 45 2HZ LYS 45 11.163 -8.583 -10.310 400 3HZ LYS 45 3HZ LYS 45 12.393 -9.658 -9.875 401 H GLY 46 H GLY 46 9.201 -16.005 -7.333 402 1HA GLY 46 1HA GLY 46 8.687 -17.290 -5.501 403 2HA GLY 46 2HA GLY 46 10.049 -16.535 -4.688 404 H GLY 47 H GLY 47 7.556 -14.478 -5.923 405 1HA GLY 47 1HA GLY 47 6.810 -13.827 -3.164 406 2HA GLY 47 2HA GLY 47 6.520 -12.824 -4.575 407 H SER 48 H SER 48 4.511 -13.213 -2.774 408 HA SER 48 HA SER 48 2.800 -15.344 -3.774 409 1HB SER 48 1HB SER 48 2.838 -13.588 -1.395 410 2HB SER 48 2HB SER 48 1.236 -14.007 -2.004 411 HG SER 48 HG SER 48 2.033 -15.529 -0.476 412 H HIS 49 H HIS 49 0.692 -14.974 -4.602 413 HA HIS 49 HA HIS 49 0.559 -12.691 -6.359 414 1HB HIS 49 1HB HIS 49 -0.429 -15.301 -6.418 415 2HB HIS 49 2HB HIS 49 -1.864 -14.296 -6.238 416 HD1 HIS 49 HD1 HIS 49 -0.824 -11.897 -8.000 417 HD2 HIS 49 HD2 HIS 49 -0.753 -15.910 -9.075 418 HE1 HIS 49 HE1 HIS 49 -0.768 -11.919 -10.514 419 HE2 HIS 49 HE2 HIS 49 -0.668 -14.357 -11.142 420 H ALA 50 H ALA 50 -1.414 -13.972 -3.692 421 HA ALA 50 HA ALA 50 -3.336 -11.948 -3.637 422 1HB ALA 50 1HB ALA 50 -4.078 -13.562 -2.269 423 2HB ALA 50 2HB ALA 50 -2.448 -14.084 -1.841 424 3HB ALA 50 3HB ALA 50 -3.175 -12.702 -1.023 425 H LEU 51 H LEU 51 -0.064 -12.005 -2.472 426 HA LEU 51 HA LEU 51 -0.290 -9.811 -0.674 427 1HB LEU 51 1HB LEU 51 1.879 -11.444 -1.820 428 2HB LEU 51 2HB LEU 51 2.330 -9.807 -1.389 429 HG LEU 51 HG LEU 51 1.050 -11.773 0.507 430 1HD1 LEU 51 1HD1 LEU 51 3.075 -12.496 1.161 431 2HD1 LEU 51 2HD1 LEU 51 3.562 -11.994 -0.458 432 3HD1 LEU 51 3HD1 LEU 51 3.832 -10.922 0.917 433 1HD2 LEU 51 1HD2 LEU 51 2.394 -9.130 1.048 434 2HD2 LEU 51 2HD2 LEU 51 0.649 -9.375 0.991 435 3HD2 LEU 51 3HD2 LEU 51 1.612 -10.184 2.226 436 H MET 52 H MET 52 0.991 -10.093 -3.989 437 HA MET 52 HA MET 52 1.718 -7.466 -4.408 438 1HB MET 52 1HB MET 52 1.742 -9.661 -5.949 439 2HB MET 52 2HB MET 52 0.362 -8.839 -6.666 440 1HG MET 52 1HG MET 52 2.376 -8.292 -7.870 441 2HG MET 52 2HG MET 52 1.752 -6.860 -7.051 442 1HE MET 52 1HE MET 52 4.132 -5.235 -6.062 443 2HE MET 52 2HE MET 52 2.564 -5.691 -5.398 444 3HE MET 52 3HE MET 52 4.026 -5.909 -4.435 445 H GLN 53 H GLN 53 -1.478 -8.903 -4.479 446 HA GLN 53 HA GLN 53 -2.745 -6.536 -5.529 447 1HB GLN 53 1HB GLN 53 -4.077 -8.884 -4.179 448 2HB GLN 53 2HB GLN 53 -4.809 -7.730 -5.286 449 1HG GLN 53 1HG GLN 53 -2.635 -9.675 -6.026 450 2HG GLN 53 2HG GLN 53 -4.358 -9.932 -6.304 451 1HE2 GLN 53 1HE2 GLN 53 -4.206 -8.409 -9.385 452 2HE2 GLN 53 2HE2 GLN 53 -4.836 -9.642 -8.350 453 H GLU 54 H GLU 54 -2.068 -7.927 -2.403 454 HA GLU 54 HA GLU 54 -3.871 -6.370 -0.877 455 1HB GLU 54 1HB GLU 54 -2.319 -8.483 -0.305 456 2HB GLU 54 2HB GLU 54 -1.291 -7.207 0.335 457 1HG GLU 54 1HG GLU 54 -2.516 -7.733 2.185 458 2HG GLU 54 2HG GLU 54 -3.495 -6.433 1.509 459 H LEU 55 H LEU 55 -0.367 -6.012 -1.433 460 HA LEU 55 HA LEU 55 -0.094 -3.570 -0.090 461 1HB LEU 55 1HB LEU 55 1.849 -4.843 -0.534 462 2HB LEU 55 2HB LEU 55 1.504 -4.914 -2.250 463 HG LEU 55 HG LEU 55 1.825 -2.322 -2.142 464 1HD1 LEU 55 1HD1 LEU 55 2.334 -1.539 -0.126 465 2HD1 LEU 55 2HD1 LEU 55 2.576 -3.162 0.522 466 3HD1 LEU 55 3HD1 LEU 55 3.897 -2.334 -0.301 467 1HD2 LEU 55 1HD2 LEU 55 3.373 -4.448 -2.912 468 2HD2 LEU 55 2HD2 LEU 55 3.730 -2.749 -3.228 469 3HD2 LEU 55 3HD2 LEU 55 4.447 -3.557 -1.833 470 H ASN 56 H ASN 56 -0.768 -4.301 -3.495 471 HA ASN 56 HA ASN 56 -0.649 -1.657 -4.447 472 1HB ASN 56 1HB ASN 56 -1.207 -4.184 -5.537 473 2HB ASN 56 2HB ASN 56 -2.641 -3.218 -5.854 474 1HD2 ASN 56 1HD2 ASN 56 0.099 -2.901 -8.476 475 2HD2 ASN 56 2HD2 ASN 56 -0.481 -4.275 -7.605 476 H SER 57 H SER 57 -3.208 -3.511 -2.926 477 HA SER 57 HA SER 57 -5.344 -1.756 -3.457 478 1HB SER 57 1HB SER 57 -4.859 -3.808 -1.303 479 2HB SER 57 2HB SER 57 -6.334 -2.843 -1.345 480 HG SER 57 HG SER 57 -5.479 -4.871 -3.046 481 H LEU 58 H LEU 58 -2.980 -1.902 -0.836 482 HA LEU 58 HA LEU 58 -4.159 0.289 0.600 483 1HB LEU 58 1HB LEU 58 -1.699 -1.374 0.897 484 2HB LEU 58 2HB LEU 58 -1.784 0.161 1.741 485 HG LEU 58 HG LEU 58 -4.076 -1.709 2.058 486 1HD1 LEU 58 1HD1 LEU 58 -3.033 -3.163 3.507 487 2HD1 LEU 58 2HD1 LEU 58 -1.794 -2.944 2.270 488 3HD1 LEU 58 3HD1 LEU 58 -1.680 -2.071 3.797 489 1HD2 LEU 58 1HD2 LEU 58 -4.223 0.424 3.136 490 2HD2 LEU 58 2HD2 LEU 58 -3.943 -0.792 4.380 491 3HD2 LEU 58 3HD2 LEU 58 -2.618 0.238 3.840 492 H TRP 59 H TRP 59 -1.717 -0.114 -1.850 493 HA TRP 59 HA TRP 59 -0.686 2.565 -1.559 494 1HB TRP 59 1HB TRP 59 0.857 0.851 -2.225 495 2HB TRP 59 2HB TRP 59 -0.176 0.357 -3.558 496 HD1 TRP 59 HD1 TRP 59 0.348 1.379 -5.842 497 HE1 TRP 59 HE1 TRP 59 1.901 3.239 -6.707 498 HE3 TRP 59 HE3 TRP 59 1.889 3.323 -1.357 499 HZ2 TRP 59 HZ2 TRP 59 3.564 5.246 -5.639 500 HZ3 TRP 59 HZ3 TRP 59 3.469 5.199 -1.381 501 HH2 TRP 59 HH2 TRP 59 4.287 6.145 -3.473 502 H GLY 60 H GLY 60 -3.382 1.128 -2.932 503 1HA GLY 60 1HA GLY 60 -3.652 2.955 -5.173 504 2HA GLY 60 2HA GLY 60 -4.810 1.727 -4.678 505 H THR 61 H THR 61 -5.542 2.248 -2.220 506 HA THR 61 HA THR 61 -7.192 4.523 -2.363 507 HB THR 61 HB THR 61 -7.108 2.370 -0.745 508 HG1 THR 61 HG1 THR 61 -8.722 3.407 0.463 509 1HG2 THR 61 1HG2 THR 61 -6.869 3.270 1.596 510 2HG2 THR 61 2HG2 THR 61 -5.395 2.841 0.727 511 3HG2 THR 61 3HG2 THR 61 -5.873 4.531 0.877 512 H PHE 62 H PHE 62 -4.243 3.822 -0.629 513 HA PHE 62 HA PHE 62 -3.636 6.182 0.638 514 1HB PHE 62 1HB PHE 62 -2.248 4.192 0.819 515 2HB PHE 62 2HB PHE 62 -1.835 4.292 -0.892 516 HD1 PHE 62 HD1 PHE 62 0.516 4.217 -0.470 517 HD2 PHE 62 HD2 PHE 62 -1.902 7.283 1.237 518 HE1 PHE 62 HE1 PHE 62 2.534 5.496 0.097 519 HE2 PHE 62 HE2 PHE 62 0.123 8.566 1.798 520 HZ PHE 62 HZ PHE 62 2.344 7.664 1.221 521 H LYS 63 H LYS 63 -2.942 5.234 -2.668 522 HA LYS 63 HA LYS 63 -1.681 7.557 -3.559 523 1HB LYS 63 1HB LYS 63 -2.454 5.086 -4.600 524 2HB LYS 63 2HB LYS 63 -3.267 6.260 -5.600 525 1HG LYS 63 1HG LYS 63 -1.102 7.354 -6.036 526 2HG LYS 63 2HG LYS 63 -0.310 6.097 -5.080 527 1HD LYS 63 1HD LYS 63 -1.813 5.779 -7.672 528 2HD LYS 63 2HD LYS 63 -0.102 5.474 -7.371 529 1HE LYS 63 1HE LYS 63 -0.683 3.609 -5.902 530 2HE LYS 63 2HE LYS 63 -2.394 3.930 -6.155 531 1HZ LYS 63 1HZ LYS 63 -1.619 3.675 -8.664 532 2HZ LYS 63 2HZ LYS 63 -0.466 2.672 -7.939 533 3HZ LYS 63 3HZ LYS 63 -2.114 2.356 -7.727 534 H THR 64 H THR 64 -5.102 6.685 -3.397 535 HA THR 64 HA THR 64 -6.248 8.602 -4.993 536 HB THR 64 HB THR 64 -7.271 7.847 -2.246 537 HG1 THR 64 HG1 THR 64 -6.801 6.245 -4.281 538 1HG2 THR 64 1HG2 THR 64 -8.354 9.617 -4.034 539 2HG2 THR 64 2HG2 THR 64 -9.192 8.110 -4.406 540 3HG2 THR 64 3HG2 THR 64 -9.227 8.757 -2.765 541 H GLU 65 H GLU 65 -4.888 8.923 -1.791 542 HA GLU 65 HA GLU 65 -5.530 11.745 -1.619 543 1HB GLU 65 1HB GLU 65 -3.699 10.234 0.234 544 2HB GLU 65 2HB GLU 65 -4.646 11.674 0.574 545 1HG GLU 65 1HG GLU 65 -6.154 9.251 -0.183 546 2HG GLU 65 2HG GLU 65 -5.344 9.227 1.381 547 H VAL 66 H VAL 66 -2.855 9.639 -2.405 548 HA VAL 66 HA VAL 66 -0.725 11.398 -2.247 549 HB VAL 66 HB VAL 66 -1.140 9.129 -4.176 550 1HG1 VAL 66 1HG1 VAL 66 0.688 11.051 -4.612 551 2HG1 VAL 66 2HG1 VAL 66 1.596 10.015 -3.512 552 3HG1 VAL 66 3HG1 VAL 66 0.950 9.354 -5.013 553 1HG2 VAL 66 1HG2 VAL 66 0.456 9.299 -1.621 554 2HG2 VAL 66 2HG2 VAL 66 -1.129 8.547 -1.780 555 3HG2 VAL 66 3HG2 VAL 66 0.254 7.873 -2.638 556 H TYR 67 H TYR 67 -3.056 10.900 -4.844 557 HA TYR 67 HA TYR 67 -1.836 12.545 -6.769 558 1HB TYR 67 1HB TYR 67 -3.812 10.888 -7.020 559 2HB TYR 67 2HB TYR 67 -4.821 12.242 -6.524 560 HD1 TYR 67 HD1 TYR 67 -5.828 13.391 -8.241 561 HD2 TYR 67 HD2 TYR 67 -2.002 11.658 -8.918 562 HE1 TYR 67 HE1 TYR 67 -5.873 14.209 -10.559 563 HE2 TYR 67 HE2 TYR 67 -2.038 12.473 -11.238 564 HH TYR 67 HH TYR 67 -4.592 13.317 -12.853 565 H ASN 68 H ASN 68 -3.878 13.235 -4.028 566 HA ASN 68 HA ASN 68 -4.207 16.016 -4.805 567 1HB ASN 68 1HB ASN 68 -5.415 14.213 -2.782 568 2HB ASN 68 2HB ASN 68 -5.317 15.920 -2.357 569 1HD2 ASN 68 1HD2 ASN 68 -8.030 14.588 -5.014 570 2HD2 ASN 68 2HD2 ASN 68 -6.897 13.546 -4.230 571 H LEU 69 H LEU 69 -2.175 14.092 -2.751 572 HA LEU 69 HA LEU 69 -1.429 15.974 -0.836 573 1HB LEU 69 1HB LEU 69 0.241 14.535 -0.228 574 2HB LEU 69 2HB LEU 69 -0.802 13.447 -1.117 575 HG LEU 69 HG LEU 69 0.750 13.991 -3.137 576 1HD1 LEU 69 1HD1 LEU 69 2.195 15.643 -2.538 577 2HD1 LEU 69 2HD1 LEU 69 2.215 15.164 -0.840 578 3HD1 LEU 69 3HD1 LEU 69 3.146 14.249 -2.027 579 1HD2 LEU 69 1HD2 LEU 69 0.838 12.057 -1.023 580 2HD2 LEU 69 2HD2 LEU 69 1.215 11.862 -2.732 581 3HD2 LEU 69 3HD2 LEU 69 2.469 12.380 -1.609 582 H ARG 70 H ARG 70 -0.255 15.498 -4.124 583 HA ARG 70 HA ARG 70 1.822 17.437 -3.883 584 1HB ARG 70 1HB ARG 70 0.609 16.062 -6.270 585 2HB ARG 70 2HB ARG 70 1.939 17.206 -6.398 586 1HG ARG 70 1HG ARG 70 3.347 15.776 -5.050 587 2HG ARG 70 2HG ARG 70 2.007 14.653 -4.802 588 1HD ARG 70 1HD ARG 70 2.943 13.578 -6.551 589 2HD ARG 70 2HD ARG 70 2.034 14.760 -7.488 590 HE ARG 70 HE ARG 70 4.008 15.852 -8.007 591 1HH1 ARG 70 1HH1 ARG 70 6.333 13.370 -5.888 592 2HH1 ARG 70 2HH1 ARG 70 4.617 13.313 -5.682 593 1HH2 ARG 70 1HH2 ARG 70 7.269 14.850 -7.357 594 2HH2 ARG 70 2HH2 ARG 70 6.264 15.923 -8.274 595 H MET 71 H MET 71 -1.342 17.859 -3.839 596 HA MET 71 HA MET 71 -1.238 20.428 -5.268 597 1HB MET 71 1HB MET 71 -3.335 18.348 -5.067 598 2HB MET 71 2HB MET 71 -3.892 20.012 -4.982 599 1HG MET 71 1HG MET 71 -2.370 20.290 -7.101 600 2HG MET 71 2HG MET 71 -2.615 18.549 -7.229 601 1HE MET 71 1HE MET 71 -5.127 17.973 -9.097 602 2HE MET 71 2HE MET 71 -4.714 19.454 -9.956 603 3HE MET 71 3HE MET 71 -3.444 18.481 -9.217 604 H ASN 72 H ASN 72 -2.049 18.780 -2.300 605 HA ASN 72 HA ASN 72 -3.426 20.846 -0.992 606 1HB ASN 72 1HB ASN 72 -1.778 18.536 0.025 607 2HB ASN 72 2HB ASN 72 -2.578 19.663 1.116 608 1HD2 ASN 72 1HD2 ASN 72 -5.869 18.656 -0.105 609 2HD2 ASN 72 2HD2 ASN 72 -4.957 20.113 0.058 610 H LEU 73 H LEU 73 -2.773 22.499 0.341 611 HA LEU 73 HA LEU 73 0.107 22.993 0.596 612 1HB LEU 73 1HB LEU 73 -1.295 24.300 -1.284 613 2HB LEU 73 2HB LEU 73 -1.624 25.346 0.084 614 HG LEU 73 HG LEU 73 1.200 24.736 -0.083 615 1HD1 LEU 73 1HD1 LEU 73 1.324 24.625 -2.337 616 2HD1 LEU 73 2HD1 LEU 73 -0.197 25.487 -2.575 617 3HD1 LEU 73 3HD1 LEU 73 1.271 26.382 -2.188 618 1HD2 LEU 73 1HD2 LEU 73 -0.075 27.413 -0.498 619 2HD2 LEU 73 2HD2 LEU 73 -0.102 26.633 1.083 620 3HD2 LEU 73 3HD2 LEU 73 1.437 27.011 0.313 621 H GLY 74 H GLY 74 -3.074 24.349 1.494 622 1HA GLY 74 1HA GLY 74 -3.902 25.028 3.524 623 2HA GLY 74 2HA GLY 74 -2.756 23.913 4.252 624 H GLY 75 H GLY 75 -2.007 26.731 2.249 625 1HA GLY 75 1HA GLY 75 -1.203 28.271 4.580 626 2HA GLY 75 2HA GLY 75 0.108 27.738 3.539 627 H THR 76 H THR 76 -3.151 29.069 2.954 628 HA THR 76 HA THR 76 -2.183 30.648 0.760 629 HB THR 76 HB THR 76 -4.706 31.614 1.368 630 HG1 THR 76 HG1 THR 76 -5.859 30.066 2.244 631 1HG2 THR 76 1HG2 THR 76 -4.760 31.051 -0.779 632 2HG2 THR 76 2HG2 THR 76 -3.569 29.767 -0.566 633 3HG2 THR 76 3HG2 THR 76 -5.270 29.457 -0.218 634 H GLY 77 H GLY 77 -1.563 32.731 0.753 635 1HA GLY 77 1HA GLY 77 -1.304 34.079 3.312 636 2HA GLY 77 2HA GLY 77 -0.631 34.611 1.778 637 H PHE 78 H PHE 78 -3.999 33.756 2.109 638 HA PHE 78 HA PHE 78 -4.842 36.300 1.140 639 1HB PHE 78 1HB PHE 78 -5.950 34.000 0.790 640 2HB PHE 78 2HB PHE 78 -6.643 34.235 2.390 641 HD1 PHE 78 HD1 PHE 78 -6.897 34.994 -1.097 642 HD2 PHE 78 HD2 PHE 78 -8.102 36.256 2.784 643 HE1 PHE 78 HE1 PHE 78 -8.731 36.296 -2.095 644 HE2 PHE 78 HE2 PHE 78 -9.938 37.561 1.794 645 HZ PHE 78 HZ PHE 78 -10.255 37.581 -0.648 646 H GLN 79 H GLN 79 -5.842 37.966 2.204 647 HA GLN 79 HA GLN 79 -5.412 38.071 5.074 648 1HB GLN 79 1HB GLN 79 -5.643 39.992 2.908 649 2HB GLN 79 2HB GLN 79 -6.639 40.451 4.283 650 1HG GLN 79 1HG GLN 79 -4.860 40.852 5.620 651 2HG GLN 79 2HG GLN 79 -3.873 39.598 4.871 652 1HE2 GLN 79 1HE2 GLN 79 -3.159 43.338 3.965 653 2HE2 GLN 79 2HE2 GLN 79 -3.943 42.749 5.387 Start of MODEL 32 1 1H MET 1 1H MET 1 -17.481 4.198 -0.225 2 2H MET 1 2H MET 1 -18.586 5.509 -0.328 3 3H MET 1 3H MET 1 -18.984 3.990 -1.022 4 HA MET 1 HA MET 1 -17.472 4.208 -2.704 5 1HB MET 1 1HB MET 1 -19.189 6.506 -2.037 6 2HB MET 1 2HB MET 1 -17.946 6.848 -3.233 7 1HG MET 1 1HG MET 1 -19.535 4.383 -3.611 8 2HG MET 1 2HG MET 1 -20.356 5.923 -3.869 9 1HE MET 1 1HE MET 1 -17.809 3.496 -4.630 10 2HE MET 1 2HE MET 1 -17.804 3.514 -6.393 11 3HE MET 1 3HE MET 1 -16.571 4.403 -5.498 12 H ASP 2 H ASP 2 -16.822 6.406 -0.062 13 HA ASP 2 HA ASP 2 -14.491 7.581 -1.218 14 1HB ASP 2 1HB ASP 2 -14.064 8.426 1.073 15 2HB ASP 2 2HB ASP 2 -15.706 8.756 0.529 16 H ARG 3 H ARG 3 -12.625 6.586 -1.544 17 HA ARG 3 HA ARG 3 -11.987 4.191 0.011 18 1HB ARG 3 1HB ARG 3 -10.699 5.286 -2.497 19 2HB ARG 3 2HB ARG 3 -10.300 3.759 -1.726 20 1HG ARG 3 1HG ARG 3 -11.711 2.986 -3.319 21 2HG ARG 3 2HG ARG 3 -12.898 3.340 -2.062 22 1HD ARG 3 1HD ARG 3 -13.749 4.252 -4.077 23 2HD ARG 3 2HD ARG 3 -13.171 5.608 -3.115 24 HE ARG 3 HE ARG 3 -11.696 4.448 -5.388 25 1HH1 ARG 3 1HH1 ARG 3 -11.742 8.332 -4.400 26 2HH1 ARG 3 2HH1 ARG 3 -12.626 7.203 -3.435 27 1HH2 ARG 3 1HH2 ARG 3 -10.565 7.620 -6.221 28 2HH2 ARG 3 2HH2 ARG 3 -10.544 5.941 -6.647 29 H VAL 4 H VAL 4 -11.319 5.200 1.936 30 HA VAL 4 HA VAL 4 -8.677 6.480 1.743 31 HB VAL 4 HB VAL 4 -9.260 7.852 3.738 32 1HG1 VAL 4 1HG1 VAL 4 -10.246 9.566 2.504 33 2HG1 VAL 4 2HG1 VAL 4 -9.464 8.568 1.277 34 3HG1 VAL 4 3HG1 VAL 4 -11.205 8.447 1.536 35 1HG2 VAL 4 1HG2 VAL 4 -12.092 6.992 3.161 36 2HG2 VAL 4 2HG2 VAL 4 -11.125 6.414 4.517 37 3HG2 VAL 4 3HG2 VAL 4 -11.558 8.119 4.407 38 H LEU 5 H LEU 5 -7.155 5.549 2.908 39 HA LEU 5 HA LEU 5 -7.854 3.352 4.687 40 1HB LEU 5 1HB LEU 5 -5.651 2.631 4.458 41 2HB LEU 5 2HB LEU 5 -6.107 3.185 2.886 42 HG LEU 5 HG LEU 5 -4.595 4.995 4.728 43 1HD1 LEU 5 1HD1 LEU 5 -2.518 4.183 3.696 44 2HD1 LEU 5 2HD1 LEU 5 -3.304 2.944 4.665 45 3HD1 LEU 5 3HD1 LEU 5 -3.428 2.892 2.909 46 1HD2 LEU 5 1HD2 LEU 5 -3.897 5.070 1.972 47 2HD2 LEU 5 2HD2 LEU 5 -5.646 5.137 2.131 48 3HD2 LEU 5 3HD2 LEU 5 -4.641 6.321 2.964 49 H SER 6 H SER 6 -7.223 3.163 6.805 50 HA SER 6 HA SER 6 -6.867 5.697 8.191 51 1HB SER 6 1HB SER 6 -7.220 4.206 10.244 52 2HB SER 6 2HB SER 6 -8.584 4.373 9.139 53 HG SER 6 HG SER 6 -7.216 2.154 9.848 54 H ARG 7 H ARG 7 -5.549 5.172 10.426 55 HA ARG 7 HA ARG 7 -2.863 5.282 9.757 56 1HB ARG 7 1HB ARG 7 -3.938 4.299 12.401 57 2HB ARG 7 2HB ARG 7 -2.392 5.084 12.104 58 1HG ARG 7 1HG ARG 7 -3.756 7.096 11.332 59 2HG ARG 7 2HG ARG 7 -5.136 6.292 12.082 60 1HD ARG 7 1HD ARG 7 -4.412 6.725 14.169 61 2HD ARG 7 2HD ARG 7 -2.726 6.425 13.751 62 HE ARG 7 HE ARG 7 -3.991 8.920 12.875 63 1HH1 ARG 7 1HH1 ARG 7 -0.821 8.739 15.320 64 2HH1 ARG 7 2HH1 ARG 7 -1.666 7.286 14.915 65 1HH2 ARG 7 1HH2 ARG 7 -1.506 10.746 14.475 66 2HH2 ARG 7 2HH2 ARG 7 -2.876 10.825 13.418 67 H ALA 8 H ALA 8 -4.797 2.508 10.798 68 HA ALA 8 HA ALA 8 -2.743 0.642 11.048 69 1HB ALA 8 1HB ALA 8 -4.947 -0.773 10.078 70 2HB ALA 8 2HB ALA 8 -4.510 -0.498 11.764 71 3HB ALA 8 3HB ALA 8 -5.618 0.604 10.951 72 H ASP 9 H ASP 9 -4.602 1.625 8.198 73 HA ASP 9 HA ASP 9 -3.544 -0.323 6.454 74 1HB ASP 9 1HB ASP 9 -4.787 2.374 5.965 75 2HB ASP 9 2HB ASP 9 -4.354 1.282 4.673 76 H LYS 10 H LYS 10 -2.756 3.161 6.703 77 HA LYS 10 HA LYS 10 -0.580 3.054 4.938 78 1HB LYS 10 1HB LYS 10 0.155 5.194 6.121 79 2HB LYS 10 2HB LYS 10 -1.425 5.200 5.356 80 1HG LYS 10 1HG LYS 10 -1.955 6.185 7.323 81 2HG LYS 10 2HG LYS 10 -2.208 4.503 7.773 82 1HD LYS 10 1HD LYS 10 -0.681 4.697 9.380 83 2HD LYS 10 2HD LYS 10 0.537 5.117 8.178 84 1HE LYS 10 1HE LYS 10 0.605 7.189 8.968 85 2HE LYS 10 2HE LYS 10 -1.104 7.393 8.591 86 1HZ LYS 10 1HZ LYS 10 0.030 7.379 11.087 87 2HZ LYS 10 2HZ LYS 10 -1.621 7.291 10.734 88 3HZ LYS 10 3HZ LYS 10 -0.733 5.872 10.973 89 H GLU 11 H GLU 11 -0.732 2.722 8.452 90 HA GLU 11 HA GLU 11 2.042 2.568 8.910 91 1HB GLU 11 1HB GLU 11 -0.328 1.491 10.429 92 2HB GLU 11 2HB GLU 11 1.323 1.261 10.989 93 1HG GLU 11 1HG GLU 11 0.860 4.020 10.337 94 2HG GLU 11 2HG GLU 11 -0.357 3.437 11.470 95 H ARG 12 H ARG 12 -0.253 0.293 7.661 96 HA ARG 12 HA ARG 12 1.511 -1.985 8.016 97 1HB ARG 12 1HB ARG 12 -0.926 -2.275 8.225 98 2HB ARG 12 2HB ARG 12 -1.130 -1.751 6.559 99 1HG ARG 12 1HG ARG 12 -1.252 -4.200 6.847 100 2HG ARG 12 2HG ARG 12 0.026 -3.687 5.744 101 1HD ARG 12 1HD ARG 12 1.696 -4.305 7.174 102 2HD ARG 12 2HD ARG 12 0.715 -4.031 8.613 103 HE ARG 12 HE ARG 12 -0.442 -6.173 7.353 104 1HH1 ARG 12 1HH1 ARG 12 3.091 -7.082 9.009 105 2HH1 ARG 12 2HH1 ARG 12 2.724 -5.436 8.620 106 1HH2 ARG 12 1HH2 ARG 12 1.565 -8.732 8.580 107 2HH2 ARG 12 2HH2 ARG 12 0.035 -8.341 7.866 108 H LEU 13 H LEU 13 0.476 0.227 5.499 109 HA LEU 13 HA LEU 13 1.576 -1.163 3.295 110 1HB LEU 13 1HB LEU 13 -0.042 0.563 2.917 111 2HB LEU 13 2HB LEU 13 0.935 1.745 3.763 112 HG LEU 13 HG LEU 13 2.627 1.010 1.752 113 1HD1 LEU 13 1HD1 LEU 13 0.496 -0.290 0.909 114 2HD1 LEU 13 2HD1 LEU 13 0.052 1.304 0.301 115 3HD1 LEU 13 3HD1 LEU 13 1.562 0.554 -0.215 116 1HD2 LEU 13 1HD2 LEU 13 0.649 3.139 1.153 117 2HD2 LEU 13 2HD2 LEU 13 1.582 3.277 2.647 118 3HD2 LEU 13 3HD2 LEU 13 2.412 3.177 1.093 119 H LEU 14 H LEU 14 2.871 1.028 5.677 120 HA LEU 14 HA LEU 14 5.321 1.596 4.370 121 1HB LEU 14 1HB LEU 14 4.245 1.894 7.130 122 2HB LEU 14 2HB LEU 14 5.981 2.013 6.905 123 HG LEU 14 HG LEU 14 3.876 3.756 5.626 124 1HD1 LEU 14 1HD1 LEU 14 5.852 4.133 7.843 125 2HD1 LEU 14 2HD1 LEU 14 5.278 5.506 6.898 126 3HD1 LEU 14 3HD1 LEU 14 4.130 4.518 7.801 127 1HD2 LEU 14 1HD2 LEU 14 6.516 3.112 4.732 128 2HD2 LEU 14 2HD2 LEU 14 5.337 4.213 4.022 129 3HD2 LEU 14 3HD2 LEU 14 6.466 4.800 5.241 130 H GLU 15 H GLU 15 4.260 -0.904 6.607 131 HA GLU 15 HA GLU 15 6.721 -2.008 7.295 132 1HB GLU 15 1HB GLU 15 4.483 -2.605 8.273 133 2HB GLU 15 2HB GLU 15 4.168 -3.556 6.828 134 1HG GLU 15 1HG GLU 15 4.920 -5.155 8.285 135 2HG GLU 15 2HG GLU 15 6.402 -4.731 7.432 136 H LEU 16 H LEU 16 4.535 -2.967 4.650 137 HA LEU 16 HA LEU 16 6.382 -4.817 3.519 138 1HB LEU 16 1HB LEU 16 4.127 -3.501 2.031 139 2HB LEU 16 2HB LEU 16 4.818 -5.090 1.769 140 HG LEU 16 HG LEU 16 3.609 -4.696 4.426 141 1HD1 LEU 16 1HD1 LEU 16 2.158 -3.474 2.617 142 2HD1 LEU 16 2HD1 LEU 16 1.688 -5.120 2.190 143 3HD1 LEU 16 3HD1 LEU 16 1.406 -4.518 3.824 144 1HD2 LEU 16 1HD2 LEU 16 3.837 -6.812 2.347 145 2HD2 LEU 16 2HD2 LEU 16 4.202 -6.878 4.070 146 3HD2 LEU 16 3HD2 LEU 16 2.526 -6.918 3.522 147 H LEU 17 H LEU 17 6.219 -1.444 3.489 148 HA LEU 17 HA LEU 17 7.496 -1.118 0.900 149 1HB LEU 17 1HB LEU 17 6.262 0.657 2.914 150 2HB LEU 17 2HB LEU 17 7.568 1.346 1.976 151 HG LEU 17 HG LEU 17 5.088 1.630 1.210 152 1HD1 LEU 17 1HD1 LEU 17 5.841 2.072 -0.949 153 2HD1 LEU 17 2HD1 LEU 17 7.276 2.256 0.059 154 3HD1 LEU 17 3HD1 LEU 17 7.047 0.788 -0.890 155 1HD2 LEU 17 1HD2 LEU 17 5.371 -1.185 0.946 156 2HD2 LEU 17 2HD2 LEU 17 3.991 -0.173 0.533 157 3HD2 LEU 17 3HD2 LEU 17 5.242 -0.490 -0.668 158 H LYS 18 H LYS 18 8.529 -1.769 4.045 159 HA LYS 18 HA LYS 18 10.561 -1.626 5.087 160 1HB LYS 18 1HB LYS 18 11.071 -2.126 2.266 161 2HB LYS 18 2HB LYS 18 12.397 -1.270 3.034 162 1HG LYS 18 1HG LYS 18 12.973 -3.498 3.301 163 2HG LYS 18 2HG LYS 18 12.236 -3.088 4.851 164 1HD LYS 18 1HD LYS 18 10.234 -3.994 2.986 165 2HD LYS 18 2HD LYS 18 11.532 -5.181 3.127 166 1HE LYS 18 1HE LYS 18 11.216 -4.665 5.706 167 2HE LYS 18 2HE LYS 18 9.600 -4.214 5.168 168 1HZ LYS 18 1HZ LYS 18 9.072 -6.348 5.151 169 2HZ LYS 18 2HZ LYS 18 10.243 -6.647 3.966 170 3HZ LYS 18 3HZ LYS 18 10.643 -6.785 5.602 171 H LEU 19 H LEU 19 9.064 0.829 4.158 172 HA LEU 19 HA LEU 19 11.228 2.804 4.278 173 1HB LEU 19 1HB LEU 19 9.850 2.851 2.245 174 2HB LEU 19 2HB LEU 19 8.407 3.026 3.219 175 HG LEU 19 HG LEU 19 10.375 5.120 3.735 176 1HD1 LEU 19 1HD1 LEU 19 10.897 5.731 1.668 177 2HD1 LEU 19 2HD1 LEU 19 10.006 4.354 1.022 178 3HD1 LEU 19 3HD1 LEU 19 9.185 5.891 1.281 179 1HD2 LEU 19 1HD2 LEU 19 8.311 5.608 4.592 180 2HD2 LEU 19 2HD2 LEU 19 8.182 6.410 3.026 181 3HD2 LEU 19 3HD2 LEU 19 7.454 4.825 3.266 182 HA PRO 20 HA PRO 20 9.857 3.216 8.566 183 1HB PRO 20 1HB PRO 20 11.297 5.797 8.135 184 2HB PRO 20 2HB PRO 20 11.401 4.661 9.484 185 1HG PRO 20 1HG PRO 20 13.296 4.747 7.606 186 2HG PRO 20 2HG PRO 20 12.791 3.214 8.338 187 1HD PRO 20 1HD PRO 20 12.239 4.292 5.632 188 2HD PRO 20 2HD PRO 20 12.351 2.608 6.178 189 H ARG 21 H ARG 21 8.667 4.806 9.833 190 HA ARG 21 HA ARG 21 6.652 6.135 8.212 191 1HB ARG 21 1HB ARG 21 5.489 6.434 10.421 192 2HB ARG 21 2HB ARG 21 5.762 4.763 9.946 193 1HG ARG 21 1HG ARG 21 7.922 5.876 11.558 194 2HG ARG 21 2HG ARG 21 6.363 5.854 12.382 195 1HD ARG 21 1HD ARG 21 6.165 3.438 11.677 196 2HD ARG 21 2HD ARG 21 7.846 3.535 11.164 197 HE ARG 21 HE ARG 21 8.498 3.786 13.420 198 1HH1 ARG 21 1HH1 ARG 21 4.844 2.779 14.720 199 2HH1 ARG 21 2HH1 ARG 21 5.057 3.252 13.070 200 1HH2 ARG 21 1HH2 ARG 21 6.624 2.731 16.147 201 2HH2 ARG 21 2HH2 ARG 21 8.205 3.165 15.586 202 H GLN 22 H GLN 22 9.555 6.991 9.509 203 HA GLN 22 HA GLN 22 8.878 9.570 10.573 204 1HB GLN 22 1HB GLN 22 10.832 8.323 11.375 205 2HB GLN 22 2HB GLN 22 11.548 8.402 9.772 206 1HG GLN 22 1HG GLN 22 11.844 10.754 9.930 207 2HG GLN 22 2HG GLN 22 10.873 10.838 11.399 208 1HE2 GLN 22 1HE2 GLN 22 14.066 11.020 12.893 209 2HE2 GLN 22 2HE2 GLN 22 12.752 11.948 12.264 210 H LEU 23 H LEU 23 9.915 8.278 7.510 211 HA LEU 23 HA LEU 23 10.069 10.979 6.393 212 1HB LEU 23 1HB LEU 23 11.299 10.098 4.569 213 2HB LEU 23 2HB LEU 23 11.985 9.429 6.031 214 HG LEU 23 HG LEU 23 11.974 7.719 4.366 215 1HD1 LEU 23 1HD1 LEU 23 11.277 7.088 6.698 216 2HD1 LEU 23 2HD1 LEU 23 9.617 7.077 6.106 217 3HD1 LEU 23 3HD1 LEU 23 10.800 5.960 5.424 218 1HD2 LEU 23 1HD2 LEU 23 10.019 8.916 3.134 219 2HD2 LEU 23 2HD2 LEU 23 10.255 7.179 2.965 220 3HD2 LEU 23 3HD2 LEU 23 9.020 7.796 4.061 221 H TRP 24 H TRP 24 7.671 9.059 6.996 222 HA TRP 24 HA TRP 24 6.354 8.360 4.670 223 1HB TRP 24 1HB TRP 24 5.499 7.662 6.792 224 2HB TRP 24 2HB TRP 24 5.300 9.323 7.331 225 HD1 TRP 24 HD1 TRP 24 3.100 10.598 6.593 226 HE1 TRP 24 HE1 TRP 24 0.881 9.795 5.563 227 HE3 TRP 24 HE3 TRP 24 4.541 5.931 5.100 228 HZ2 TRP 24 HZ2 TRP 24 -0.125 7.480 4.290 229 HZ3 TRP 24 HZ3 TRP 24 2.896 4.483 3.982 230 HH2 TRP 24 HH2 TRP 24 0.611 5.245 3.585 231 H GLY 25 H GLY 25 6.328 9.731 2.960 232 1HA GLY 25 1HA GLY 25 4.451 11.593 2.503 233 2HA GLY 25 2HA GLY 25 5.688 12.542 3.316 234 H ASP 26 H ASP 26 7.878 10.971 2.162 235 HA ASP 26 HA ASP 26 8.202 12.474 -0.248 236 1HB ASP 26 1HB ASP 26 10.007 11.756 1.445 237 2HB ASP 26 2HB ASP 26 9.974 10.202 0.618 238 H PHE 27 H PHE 27 6.691 11.824 -1.763 239 HA PHE 27 HA PHE 27 5.862 9.293 -2.402 240 1HB PHE 27 1HB PHE 27 5.017 11.484 -3.355 241 2HB PHE 27 2HB PHE 27 6.354 11.394 -4.501 242 HD1 PHE 27 HD1 PHE 27 5.764 10.634 -6.580 243 HD2 PHE 27 HD2 PHE 27 3.764 9.054 -3.174 244 HE1 PHE 27 HE1 PHE 27 4.409 9.195 -8.046 245 HE2 PHE 27 HE2 PHE 27 2.405 7.613 -4.633 246 HZ PHE 27 HZ PHE 27 2.728 7.682 -7.073 247 H GLY 28 H GLY 28 8.815 10.905 -3.428 248 1HA GLY 28 1HA GLY 28 9.568 8.990 -5.378 249 2HA GLY 28 2HA GLY 28 10.633 10.159 -4.616 250 H ARG 29 H ARG 29 10.066 9.164 -1.909 251 HA ARG 29 HA ARG 29 12.009 7.028 -1.910 252 1HB ARG 29 1HB ARG 29 11.265 9.064 -0.129 253 2HB ARG 29 2HB ARG 29 10.857 7.561 0.683 254 1HG ARG 29 1HG ARG 29 13.243 6.829 0.033 255 2HG ARG 29 2HG ARG 29 13.528 8.550 -0.228 256 1HD ARG 29 1HD ARG 29 12.194 8.299 2.245 257 2HD ARG 29 2HD ARG 29 13.465 7.081 2.224 258 HE ARG 29 HE ARG 29 13.884 9.975 1.868 259 1HH1 ARG 29 1HH1 ARG 29 16.601 7.424 3.342 260 2HH1 ARG 29 2HH1 ARG 29 15.094 6.811 2.754 261 1HH2 ARG 29 1HH2 ARG 29 17.039 9.663 3.278 262 2HH2 ARG 29 2HH2 ARG 29 15.864 10.764 2.638 263 H MET 30 H MET 30 8.573 7.407 -1.255 264 HA MET 30 HA MET 30 8.240 4.774 -0.192 265 1HB MET 30 1HB MET 30 5.810 5.234 -0.439 266 2HB MET 30 2HB MET 30 6.670 6.483 0.448 267 1HG MET 30 1HG MET 30 6.690 7.899 -1.510 268 2HG MET 30 2HG MET 30 5.898 6.639 -2.454 269 1HE MET 30 1HE MET 30 4.593 7.262 1.368 270 2HE MET 30 2HE MET 30 5.719 8.512 0.836 271 3HE MET 30 3HE MET 30 4.013 8.900 1.066 272 H GLN 31 H GLN 31 7.690 6.264 -3.370 273 HA GLN 31 HA GLN 31 6.552 3.988 -4.582 274 1HB GLN 31 1HB GLN 31 6.592 6.418 -5.431 275 2HB GLN 31 2HB GLN 31 8.180 6.027 -6.079 276 1HG GLN 31 1HG GLN 31 7.153 4.163 -7.344 277 2HG GLN 31 2HG GLN 31 5.574 4.694 -6.769 278 1HE2 GLN 31 1HE2 GLN 31 5.704 6.212 -9.997 279 2HE2 GLN 31 2HE2 GLN 31 5.356 4.716 -9.207 280 H GLN 32 H GLN 32 9.922 5.174 -4.537 281 HA GLN 32 HA GLN 32 11.013 3.172 -6.151 282 1HB GLN 32 1HB GLN 32 13.167 3.719 -5.155 283 2HB GLN 32 2HB GLN 32 12.261 5.189 -5.475 284 1HG GLN 32 1HG GLN 32 12.429 5.802 -3.363 285 2HG GLN 32 2HG GLN 32 11.693 4.296 -2.828 286 1HE2 GLN 32 1HE2 GLN 32 15.063 4.652 -1.327 287 2HE2 GLN 32 2HE2 GLN 32 13.628 5.611 -1.365 288 H ALA 33 H ALA 33 10.128 3.185 -2.768 289 HA ALA 33 HA ALA 33 11.381 0.664 -2.183 290 1HB ALA 33 1HB ALA 33 10.392 0.851 -0.027 291 2HB ALA 33 2HB ALA 33 10.939 2.462 -0.487 292 3HB ALA 33 3HB ALA 33 9.227 2.047 -0.592 293 H TYR 34 H TYR 34 8.089 1.804 -2.836 294 HA TYR 34 HA TYR 34 6.692 -0.566 -2.485 295 1HB TYR 34 1HB TYR 34 5.569 1.568 -2.863 296 2HB TYR 34 2HB TYR 34 6.206 1.638 -4.502 297 HD1 TYR 34 HD1 TYR 34 3.484 0.590 -2.457 298 HD2 TYR 34 HD2 TYR 34 5.513 -0.257 -6.103 299 HE1 TYR 34 HE1 TYR 34 1.503 -0.612 -3.279 300 HE2 TYR 34 HE2 TYR 34 3.532 -1.452 -6.934 301 HH TYR 34 HH TYR 34 1.547 -2.640 -5.936 302 H LYS 35 H LYS 35 8.582 0.574 -5.220 303 HA LYS 35 HA LYS 35 7.852 -1.597 -6.946 304 1HB LYS 35 1HB LYS 35 9.755 0.694 -7.064 305 2HB LYS 35 2HB LYS 35 10.057 -0.676 -8.127 306 1HG LYS 35 1HG LYS 35 7.283 0.245 -8.145 307 2HG LYS 35 2HG LYS 35 8.449 1.447 -8.704 308 1HD LYS 35 1HD LYS 35 9.121 0.158 -10.494 309 2HD LYS 35 2HD LYS 35 8.629 -1.352 -9.726 310 1HE LYS 35 1HE LYS 35 6.365 0.394 -10.123 311 2HE LYS 35 2HE LYS 35 7.219 0.115 -11.640 312 1HZ LYS 35 1HZ LYS 35 6.963 -2.316 -10.228 313 2HZ LYS 35 2HZ LYS 35 5.443 -1.587 -10.360 314 3HZ LYS 35 3HZ LYS 35 6.352 -1.905 -11.751 315 H GLN 36 H GLN 36 10.663 -0.782 -4.951 316 HA GLN 36 HA GLN 36 12.251 -2.993 -5.640 317 1HB GLN 36 1HB GLN 36 12.919 -0.880 -4.354 318 2HB GLN 36 2HB GLN 36 12.257 -1.673 -2.931 319 1HG GLN 36 1HG GLN 36 14.658 -1.959 -3.047 320 2HG GLN 36 2HG GLN 36 13.834 -3.509 -3.208 321 1HE2 GLN 36 1HE2 GLN 36 15.695 -1.884 -6.477 322 2HE2 GLN 36 2HE2 GLN 36 15.042 -0.864 -5.245 323 H GLN 37 H GLN 37 9.585 -2.615 -3.425 324 HA GLN 37 HA GLN 37 10.037 -5.199 -2.181 325 1HB GLN 37 1HB GLN 37 7.785 -3.210 -1.871 326 2HB GLN 37 2HB GLN 37 7.986 -4.668 -0.908 327 1HG GLN 37 1HG GLN 37 10.039 -2.479 -1.034 328 2HG GLN 37 2HG GLN 37 8.755 -2.537 0.170 329 1HE2 GLN 37 1HE2 GLN 37 12.114 -4.380 0.941 330 2HE2 GLN 37 2HE2 GLN 37 11.876 -3.057 -0.145 331 H SER 38 H SER 38 8.361 -3.927 -4.875 332 HA SER 38 HA SER 38 6.316 -5.938 -4.994 333 1HB SER 38 1HB SER 38 7.293 -3.824 -6.902 334 2HB SER 38 2HB SER 38 6.115 -5.035 -7.407 335 HG SER 38 HG SER 38 5.038 -3.218 -6.641 336 H LEU 39 H LEU 39 9.528 -5.484 -6.332 337 HA LEU 39 HA LEU 39 9.478 -7.537 -8.250 338 1HB LEU 39 1HB LEU 39 11.588 -6.016 -6.816 339 2HB LEU 39 2HB LEU 39 12.069 -7.514 -7.592 340 HG LEU 39 HG LEU 39 10.536 -5.470 -9.152 341 1HD1 LEU 39 1HD1 LEU 39 13.364 -5.298 -8.244 342 2HD1 LEU 39 2HD1 LEU 39 12.966 -4.785 -9.883 343 3HD1 LEU 39 3HD1 LEU 39 12.179 -4.018 -8.503 344 1HD2 LEU 39 1HD2 LEU 39 11.931 -6.440 -10.982 345 2HD2 LEU 39 2HD2 LEU 39 12.557 -7.605 -9.814 346 3HD2 LEU 39 3HD2 LEU 39 10.838 -7.590 -10.212 347 H LEU 40 H LEU 40 10.023 -7.573 -4.792 348 HA LEU 40 HA LEU 40 10.823 -10.369 -4.841 349 1HB LEU 40 1HB LEU 40 11.167 -10.151 -2.465 350 2HB LEU 40 2HB LEU 40 11.926 -8.805 -3.292 351 HG LEU 40 HG LEU 40 9.506 -7.730 -2.698 352 1HD1 LEU 40 1HD1 LEU 40 8.851 -9.746 -1.439 353 2HD1 LEU 40 2HD1 LEU 40 10.225 -9.490 -0.363 354 3HD1 LEU 40 3HD1 LEU 40 8.923 -8.303 -0.430 355 1HD2 LEU 40 1HD2 LEU 40 11.567 -6.600 -2.315 356 2HD2 LEU 40 2HD2 LEU 40 10.703 -6.662 -0.778 357 3HD2 LEU 40 3HD2 LEU 40 12.043 -7.768 -1.081 358 H LEU 41 H LEU 41 7.958 -8.547 -4.623 359 HA LEU 41 HA LEU 41 6.495 -10.655 -3.229 360 1HB LEU 41 1HB LEU 41 5.911 -7.831 -3.996 361 2HB LEU 41 2HB LEU 41 4.568 -8.929 -3.743 362 HG LEU 41 HG LEU 41 6.711 -8.430 -1.680 363 1HD1 LEU 41 1HD1 LEU 41 5.334 -6.853 -0.634 364 2HD1 LEU 41 2HD1 LEU 41 5.293 -6.408 -2.340 365 3HD1 LEU 41 3HD1 LEU 41 3.938 -7.282 -1.624 366 1HD2 LEU 41 1HD2 LEU 41 5.141 -9.481 -0.163 367 2HD2 LEU 41 2HD2 LEU 41 3.976 -9.669 -1.472 368 3HD2 LEU 41 3HD2 LEU 41 5.494 -10.561 -1.512 369 H HIS 42 H HIS 42 7.420 -9.964 -6.339 370 HA HIS 42 HA HIS 42 5.077 -10.578 -7.813 371 1HB HIS 42 1HB HIS 42 7.313 -9.451 -8.559 372 2HB HIS 42 2HB HIS 42 7.862 -11.102 -8.807 373 HD1 HIS 42 HD1 HIS 42 7.762 -11.624 -11.196 374 HD2 HIS 42 HD2 HIS 42 4.531 -9.293 -10.016 375 HE1 HIS 42 HE1 HIS 42 6.343 -11.357 -13.254 376 HE2 HIS 42 HE2 HIS 42 4.368 -9.980 -12.507 377 HA PRO 43 HA PRO 43 4.874 -14.962 -7.139 378 1HB PRO 43 1HB PRO 43 3.606 -15.671 -9.472 379 2HB PRO 43 2HB PRO 43 2.787 -15.011 -8.053 380 1HG PRO 43 1HG PRO 43 3.657 -13.628 -10.557 381 2HG PRO 43 2HG PRO 43 2.162 -13.425 -9.624 382 1HD PRO 43 1HD PRO 43 4.193 -11.673 -9.456 383 2HD PRO 43 2HD PRO 43 3.181 -12.061 -8.054 384 H ASP 44 H ASP 44 6.577 -13.514 -9.744 385 HA ASP 44 HA ASP 44 7.591 -16.031 -10.777 386 1HB ASP 44 1HB ASP 44 7.338 -13.396 -11.789 387 2HB ASP 44 2HB ASP 44 9.060 -13.765 -11.751 388 H LYS 45 H LYS 45 8.456 -13.655 -8.441 389 HA LYS 45 HA LYS 45 11.219 -14.621 -8.325 390 1HB LYS 45 1HB LYS 45 9.824 -12.228 -7.143 391 2HB LYS 45 2HB LYS 45 11.424 -12.724 -6.609 392 1HG LYS 45 1HG LYS 45 11.968 -11.177 -8.196 393 2HG LYS 45 2HG LYS 45 11.965 -12.645 -9.170 394 1HD LYS 45 1HD LYS 45 9.695 -12.158 -9.918 395 2HD LYS 45 2HD LYS 45 9.666 -10.712 -8.909 396 1HE LYS 45 1HE LYS 45 10.171 -9.875 -11.014 397 2HE LYS 45 2HE LYS 45 11.751 -10.000 -10.238 398 1HZ LYS 45 1HZ LYS 45 12.424 -11.382 -11.813 399 2HZ LYS 45 2HZ LYS 45 11.110 -12.417 -11.567 400 3HZ LYS 45 3HZ LYS 45 10.972 -11.118 -12.640 401 H GLY 46 H GLY 46 8.965 -16.261 -7.460 402 1HA GLY 46 1HA GLY 46 8.553 -17.753 -5.762 403 2HA GLY 46 2HA GLY 46 10.039 -17.196 -5.008 404 H GLY 47 H GLY 47 7.031 -15.451 -5.758 405 1HA GLY 47 1HA GLY 47 6.733 -14.957 -2.857 406 2HA GLY 47 2HA GLY 47 6.495 -13.687 -4.049 407 H SER 48 H SER 48 4.487 -14.081 -2.343 408 HA SER 48 HA SER 48 2.565 -15.916 -3.527 409 1HB SER 48 1HB SER 48 2.855 -14.531 -0.964 410 2HB SER 48 2HB SER 48 1.206 -14.499 -1.587 411 HG SER 48 HG SER 48 1.169 -16.417 -0.691 412 H HIS 49 H HIS 49 0.547 -15.268 -4.356 413 HA HIS 49 HA HIS 49 0.649 -12.806 -5.839 414 1HB HIS 49 1HB HIS 49 -0.266 -14.941 -6.766 415 2HB HIS 49 2HB HIS 49 -1.614 -14.804 -5.643 416 HD1 HIS 49 HD1 HIS 49 -0.888 -14.193 -9.023 417 HD2 HIS 49 HD2 HIS 49 -2.890 -12.036 -6.089 418 HE1 HIS 49 HE1 HIS 49 -2.351 -12.566 -10.264 419 HE2 HIS 49 HE2 HIS 49 -3.631 -11.346 -8.470 420 H ALA 50 H ALA 50 -1.284 -14.116 -3.183 421 HA ALA 50 HA ALA 50 -3.146 -12.046 -2.965 422 1HB ALA 50 1HB ALA 50 -2.397 -13.184 -0.398 423 2HB ALA 50 2HB ALA 50 -3.929 -13.257 -1.267 424 3HB ALA 50 3HB ALA 50 -2.648 -14.408 -1.640 425 H LEU 51 H LEU 51 0.115 -12.342 -1.654 426 HA LEU 51 HA LEU 51 0.012 -10.174 0.127 427 1HB LEU 51 1HB LEU 51 2.146 -11.754 -1.179 428 2HB LEU 51 2HB LEU 51 2.605 -10.173 -0.589 429 HG LEU 51 HG LEU 51 1.480 -10.959 1.632 430 1HD1 LEU 51 1HD1 LEU 51 1.395 -13.344 0.005 431 2HD1 LEU 51 2HD1 LEU 51 2.320 -13.602 1.483 432 3HD1 LEU 51 3HD1 LEU 51 0.657 -13.021 1.571 433 1HD2 LEU 51 1HD2 LEU 51 3.771 -12.313 1.991 434 2HD2 LEU 51 2HD2 LEU 51 4.163 -11.448 0.506 435 3HD2 LEU 51 3HD2 LEU 51 3.680 -10.553 1.945 436 H MET 52 H MET 52 1.352 -10.293 -3.183 437 HA MET 52 HA MET 52 1.968 -7.589 -3.407 438 1HB MET 52 1HB MET 52 2.745 -9.291 -4.993 439 2HB MET 52 2HB MET 52 1.106 -9.482 -5.594 440 1HG MET 52 1HG MET 52 2.023 -8.103 -7.175 441 2HG MET 52 2HG MET 52 1.265 -6.941 -6.089 442 1HE MET 52 1HE MET 52 2.068 -5.354 -4.987 443 2HE MET 52 2HE MET 52 3.687 -5.122 -4.325 444 3HE MET 52 3HE MET 52 3.293 -4.502 -5.929 445 H GLN 53 H GLN 53 -1.086 -9.241 -3.754 446 HA GLN 53 HA GLN 53 -2.469 -7.132 -5.067 447 1HB GLN 53 1HB GLN 53 -3.419 -9.500 -3.458 448 2HB GLN 53 2HB GLN 53 -4.523 -8.360 -4.214 449 1HG GLN 53 1HG GLN 53 -2.497 -10.078 -5.626 450 2HG GLN 53 2HG GLN 53 -4.241 -10.331 -5.589 451 1HE2 GLN 53 1HE2 GLN 53 -4.900 -8.198 -8.224 452 2HE2 GLN 53 2HE2 GLN 53 -5.463 -9.363 -7.077 453 H GLU 54 H GLU 54 -1.659 -7.807 -1.757 454 HA GLU 54 HA GLU 54 -3.587 -6.077 -0.568 455 1HB GLU 54 1HB GLU 54 -1.236 -7.629 0.336 456 2HB GLU 54 2HB GLU 54 -1.636 -6.217 1.305 457 1HG GLU 54 1HG GLU 54 -3.986 -7.780 0.689 458 2HG GLU 54 2HG GLU 54 -2.751 -8.747 1.496 459 H LEU 55 H LEU 55 -0.117 -5.738 -1.288 460 HA LEU 55 HA LEU 55 0.256 -3.167 -0.312 461 1HB LEU 55 1HB LEU 55 1.909 -4.926 -1.330 462 2HB LEU 55 2HB LEU 55 1.610 -4.064 -2.825 463 HG LEU 55 HG LEU 55 2.580 -2.067 -1.989 464 1HD1 LEU 55 1HD1 LEU 55 1.990 -1.610 0.139 465 2HD1 LEU 55 2HD1 LEU 55 2.057 -3.301 0.637 466 3HD1 LEU 55 3HD1 LEU 55 3.543 -2.361 0.504 467 1HD2 LEU 55 1HD2 LEU 55 4.439 -3.177 -2.596 468 2HD2 LEU 55 2HD2 LEU 55 4.761 -3.196 -0.862 469 3HD2 LEU 55 3HD2 LEU 55 4.027 -4.600 -1.639 470 H ASN 56 H ASN 56 -0.753 -4.198 -3.558 471 HA ASN 56 HA ASN 56 -0.878 -1.664 -4.735 472 1HB ASN 56 1HB ASN 56 -1.861 -4.352 -5.347 473 2HB ASN 56 2HB ASN 56 -2.909 -3.079 -5.964 474 1HD2 ASN 56 1HD2 ASN 56 0.601 -3.911 -7.724 475 2HD2 ASN 56 2HD2 ASN 56 -0.007 -4.788 -6.365 476 H SER 57 H SER 57 -3.304 -3.501 -2.933 477 HA SER 57 HA SER 57 -5.428 -1.673 -3.286 478 1HB SER 57 1HB SER 57 -5.425 -4.145 -2.417 479 2HB SER 57 2HB SER 57 -5.206 -3.392 -0.838 480 HG SER 57 HG SER 57 -7.372 -3.526 -1.106 481 H LEU 58 H LEU 58 -2.768 -1.833 -1.030 482 HA LEU 58 HA LEU 58 -3.884 0.221 0.685 483 1HB LEU 58 1HB LEU 58 -1.515 -1.555 0.748 484 2HB LEU 58 2HB LEU 58 -1.357 -0.010 1.562 485 HG LEU 58 HG LEU 58 -3.601 -1.938 2.138 486 1HD1 LEU 58 1HD1 LEU 58 -2.220 -2.362 4.248 487 2HD1 LEU 58 2HD1 LEU 58 -1.708 -3.160 2.760 488 3HD1 LEU 58 3HD1 LEU 58 -0.855 -1.725 3.329 489 1HD2 LEU 58 1HD2 LEU 58 -2.497 0.417 3.669 490 2HD2 LEU 58 2HD2 LEU 58 -3.999 0.398 2.749 491 3HD2 LEU 58 3HD2 LEU 58 -3.830 -0.619 4.178 492 H TRP 59 H TRP 59 -1.727 0.006 -2.023 493 HA TRP 59 HA TRP 59 -0.640 2.661 -1.565 494 1HB TRP 59 1HB TRP 59 0.913 1.045 -2.404 495 2HB TRP 59 2HB TRP 59 -0.181 0.566 -3.692 496 HD1 TRP 59 HD1 TRP 59 0.100 1.749 -5.961 497 HE1 TRP 59 HE1 TRP 59 1.579 3.661 -6.844 498 HE3 TRP 59 HE3 TRP 59 2.010 3.425 -1.523 499 HZ2 TRP 59 HZ2 TRP 59 3.332 5.613 -5.800 500 HZ3 TRP 59 HZ3 TRP 59 3.587 5.305 -1.559 501 HH2 TRP 59 HH2 TRP 59 4.230 6.382 -3.650 502 H GLY 60 H GLY 60 -3.127 1.068 -3.385 503 1HA GLY 60 1HA GLY 60 -3.525 3.072 -5.360 504 2HA GLY 60 2HA GLY 60 -4.689 1.846 -4.887 505 H THR 61 H THR 61 -5.581 2.285 -2.538 506 HA THR 61 HA THR 61 -7.162 4.575 -2.623 507 HB THR 61 HB THR 61 -7.087 2.394 -1.034 508 HG1 THR 61 HG1 THR 61 -8.926 3.195 -0.385 509 1HG2 THR 61 1HG2 THR 61 -5.654 4.408 0.518 510 2HG2 THR 61 2HG2 THR 61 -6.995 3.614 1.320 511 3HG2 THR 61 3HG2 THR 61 -5.676 2.653 0.657 512 H PHE 62 H PHE 62 -4.242 3.867 -0.867 513 HA PHE 62 HA PHE 62 -3.651 6.194 0.461 514 1HB PHE 62 1HB PHE 62 -2.269 4.187 0.561 515 2HB PHE 62 2HB PHE 62 -1.828 4.383 -1.133 516 HD1 PHE 62 HD1 PHE 62 0.502 4.343 -0.752 517 HD2 PHE 62 HD2 PHE 62 -1.946 7.204 1.232 518 HE1 PHE 62 HE1 PHE 62 2.508 5.594 -0.087 519 HE2 PHE 62 HE2 PHE 62 0.063 8.464 1.897 520 HZ PHE 62 HZ PHE 62 2.295 7.651 1.231 521 H LYS 63 H LYS 63 -2.895 5.344 -2.858 522 HA LYS 63 HA LYS 63 -1.631 7.676 -3.663 523 1HB LYS 63 1HB LYS 63 -2.544 5.261 -4.818 524 2HB LYS 63 2HB LYS 63 -3.166 6.556 -5.806 525 1HG LYS 63 1HG LYS 63 -0.895 7.447 -6.060 526 2HG LYS 63 2HG LYS 63 -0.283 6.115 -5.078 527 1HD LYS 63 1HD LYS 63 -1.637 5.930 -7.766 528 2HD LYS 63 2HD LYS 63 0.054 5.589 -7.401 529 1HE LYS 63 1HE LYS 63 -0.527 3.463 -7.120 530 2HE LYS 63 2HE LYS 63 -1.392 3.951 -5.661 531 1HZ LYS 63 1HZ LYS 63 -2.573 3.925 -8.391 532 2HZ LYS 63 2HZ LYS 63 -2.765 2.684 -7.256 533 3HZ LYS 63 3HZ LYS 63 -3.388 4.225 -6.937 534 H THR 64 H THR 64 -5.064 6.925 -3.398 535 HA THR 64 HA THR 64 -6.168 8.956 -4.925 536 HB THR 64 HB THR 64 -7.151 8.016 -2.218 537 HG1 THR 64 HG1 THR 64 -7.849 7.050 -4.788 538 1HG2 THR 64 1HG2 THR 64 -9.397 8.519 -3.174 539 2HG2 THR 64 2HG2 THR 64 -8.403 9.933 -2.826 540 3HG2 THR 64 3HG2 THR 64 -8.581 9.367 -4.486 541 H GLU 65 H GLU 65 -4.751 9.032 -1.730 542 HA GLU 65 HA GLU 65 -5.282 11.860 -1.373 543 1HB GLU 65 1HB GLU 65 -3.451 10.224 0.362 544 2HB GLU 65 2HB GLU 65 -4.420 11.623 0.801 545 1HG GLU 65 1HG GLU 65 -5.991 9.332 -0.106 546 2HG GLU 65 2HG GLU 65 -5.045 9.029 1.348 547 H VAL 66 H VAL 66 -2.710 9.718 -2.362 548 HA VAL 66 HA VAL 66 -0.511 11.382 -2.113 549 HB VAL 66 HB VAL 66 -1.044 9.272 -4.186 550 1HG1 VAL 66 1HG1 VAL 66 1.735 9.978 -3.512 551 2HG1 VAL 66 2HG1 VAL 66 1.029 9.490 -5.050 552 3HG1 VAL 66 3HG1 VAL 66 0.865 11.151 -4.494 553 1HG2 VAL 66 1HG2 VAL 66 0.376 7.881 -2.754 554 2HG2 VAL 66 2HG2 VAL 66 0.532 9.219 -1.614 555 3HG2 VAL 66 3HG2 VAL 66 -1.039 8.469 -1.883 556 H TYR 67 H TYR 67 -3.002 11.260 -4.571 557 HA TYR 67 HA TYR 67 -1.714 12.970 -6.433 558 1HB TYR 67 1HB TYR 67 -3.638 11.431 -6.949 559 2HB TYR 67 2HB TYR 67 -4.690 12.557 -6.098 560 HD1 TYR 67 HD1 TYR 67 -1.941 12.970 -8.601 561 HD2 TYR 67 HD2 TYR 67 -5.996 13.744 -7.578 562 HE1 TYR 67 HE1 TYR 67 -2.206 14.275 -10.667 563 HE2 TYR 67 HE2 TYR 67 -6.274 15.050 -9.643 564 HH TYR 67 HH TYR 67 -3.593 15.943 -11.629 565 H ASN 68 H ASN 68 -3.707 13.493 -3.616 566 HA ASN 68 HA ASN 68 -3.960 16.340 -4.157 567 1HB ASN 68 1HB ASN 68 -5.147 14.440 -2.188 568 2HB ASN 68 2HB ASN 68 -5.080 16.147 -1.761 569 1HD2 ASN 68 1HD2 ASN 68 -7.985 14.818 -4.087 570 2HD2 ASN 68 2HD2 ASN 68 -6.951 13.833 -3.115 571 H LEU 69 H LEU 69 -1.965 14.193 -2.315 572 HA LEU 69 HA LEU 69 -1.135 15.815 -0.231 573 1HB LEU 69 1HB LEU 69 0.605 14.342 0.102 574 2HB LEU 69 2HB LEU 69 -0.534 13.359 -0.794 575 HG LEU 69 HG LEU 69 0.834 14.001 -2.878 576 1HD1 LEU 69 1HD1 LEU 69 2.653 15.252 -2.681 577 2HD1 LEU 69 2HD1 LEU 69 2.197 15.562 -1.007 578 3HD1 LEU 69 3HD1 LEU 69 3.281 14.227 -1.391 579 1HD2 LEU 69 1HD2 LEU 69 1.377 11.866 -2.616 580 2HD2 LEU 69 2HD2 LEU 69 2.732 12.369 -1.607 581 3HD2 LEU 69 3HD2 LEU 69 1.177 11.983 -0.869 582 H ARG 70 H ARG 70 -0.197 15.892 -3.603 583 HA ARG 70 HA ARG 70 1.952 17.732 -3.172 584 1HB ARG 70 1HB ARG 70 0.672 16.511 -5.570 585 2HB ARG 70 2HB ARG 70 1.679 17.937 -5.783 586 1HG ARG 70 1HG ARG 70 3.487 16.678 -4.532 587 2HG ARG 70 2HG ARG 70 2.476 15.243 -4.720 588 1HD ARG 70 1HD ARG 70 3.283 14.947 -6.767 589 2HD ARG 70 2HD ARG 70 2.639 16.515 -7.246 590 HE ARG 70 HE ARG 70 4.741 17.494 -6.778 591 1HH1 ARG 70 1HH1 ARG 70 6.487 13.896 -6.533 592 2HH1 ARG 70 2HH1 ARG 70 4.765 14.013 -6.421 593 1HH2 ARG 70 1HH2 ARG 70 7.754 15.775 -6.810 594 2HH2 ARG 70 2HH2 ARG 70 6.999 17.330 -6.915 595 H MET 71 H MET 71 -1.197 18.170 -2.890 596 HA MET 71 HA MET 71 -1.229 20.846 -4.091 597 1HB MET 71 1HB MET 71 -3.476 19.074 -3.129 598 2HB MET 71 2HB MET 71 -3.703 20.729 -3.678 599 1HG MET 71 1HG MET 71 -2.241 18.993 -5.537 600 2HG MET 71 2HG MET 71 -3.919 18.540 -5.247 601 1HE MET 71 1HE MET 71 -6.114 20.774 -6.084 602 2HE MET 71 2HE MET 71 -5.668 20.221 -7.698 603 3HE MET 71 3HE MET 71 -5.575 19.111 -6.330 604 H ASN 72 H ASN 72 -1.241 19.157 -1.069 605 HA ASN 72 HA ASN 72 -1.899 21.623 0.378 606 1HB ASN 72 1HB ASN 72 -2.173 18.741 0.966 607 2HB ASN 72 2HB ASN 72 -1.697 19.750 2.329 608 1HD2 ASN 72 1HD2 ASN 72 -5.465 19.808 0.905 609 2HD2 ASN 72 2HD2 ASN 72 -4.219 18.838 0.206 610 H LEU 73 H LEU 73 0.759 19.658 -0.486 611 HA LEU 73 HA LEU 73 2.415 20.320 1.760 612 1HB LEU 73 1HB LEU 73 2.633 18.695 -0.654 613 2HB LEU 73 2HB LEU 73 4.116 19.553 -0.283 614 HG LEU 73 HG LEU 73 2.671 17.815 1.711 615 1HD1 LEU 73 1HD1 LEU 73 3.303 16.199 0.235 616 2HD1 LEU 73 2HD1 LEU 73 4.647 17.143 -0.403 617 3HD1 LEU 73 3HD1 LEU 73 4.790 16.349 1.166 618 1HD2 LEU 73 1HD2 LEU 73 5.423 19.041 1.647 619 2HD2 LEU 73 2HD2 LEU 73 4.104 19.437 2.750 620 3HD2 LEU 73 3HD2 LEU 73 4.881 17.856 2.835 621 H GLY 74 H GLY 74 2.334 22.563 1.861 622 1HA GLY 74 1HA GLY 74 4.372 24.051 0.944 623 2HA GLY 74 2HA GLY 74 3.240 24.144 -0.398 624 H GLY 75 H GLY 75 4.075 26.405 0.989 625 1HA GLY 75 1HA GLY 75 2.255 28.144 1.301 626 2HA GLY 75 2HA GLY 75 1.703 27.101 2.603 627 H THR 76 H THR 76 3.849 26.434 3.992 628 HA THR 76 HA THR 76 4.636 28.938 5.201 629 HB THR 76 HB THR 76 5.854 27.326 6.799 630 HG1 THR 76 HG1 THR 76 4.808 25.172 6.632 631 1HG2 THR 76 1HG2 THR 76 4.032 27.180 8.117 632 2HG2 THR 76 2HG2 THR 76 3.362 28.278 6.910 633 3HG2 THR 76 3HG2 THR 76 3.008 26.553 6.824 634 H GLY 77 H GLY 77 6.226 30.035 4.220 635 1HA GLY 77 1HA GLY 77 8.870 29.387 4.318 636 2HA GLY 77 2HA GLY 77 8.341 28.711 2.785 637 H PHE 78 H PHE 78 6.377 30.825 2.316 638 HA PHE 78 HA PHE 78 8.018 32.628 0.897 639 1HB PHE 78 1HB PHE 78 5.167 32.176 1.281 640 2HB PHE 78 2HB PHE 78 5.550 33.889 1.166 641 HD1 PHE 78 HD1 PHE 78 5.192 30.786 -0.614 642 HD2 PHE 78 HD2 PHE 78 6.757 34.735 -0.852 643 HE1 PHE 78 HE1 PHE 78 5.306 30.588 -3.063 644 HE2 PHE 78 HE2 PHE 78 6.874 34.546 -3.303 645 HZ PHE 78 HZ PHE 78 6.147 32.471 -4.411 646 H GLN 79 H GLN 79 8.610 34.737 1.291 647 HA GLN 79 HA GLN 79 8.589 35.534 4.092 648 1HB GLN 79 1HB GLN 79 10.608 35.596 2.390 649 2HB GLN 79 2HB GLN 79 9.912 37.151 1.954 650 1HG GLN 79 1HG GLN 79 10.012 37.747 4.401 651 2HG GLN 79 2HG GLN 79 10.976 36.288 4.626 652 1HE2 GLN 79 1HE2 GLN 79 12.861 39.573 3.769 653 2HE2 GLN 79 2HE2 GLN 79 11.356 39.394 4.595 Start of MODEL 33 1 1H MET 1 1H MET 1 -16.686 10.635 0.969 2 2H MET 1 2H MET 1 -17.833 9.357 0.956 3 3H MET 1 3H MET 1 -16.723 9.503 2.256 4 HA MET 1 HA MET 1 -16.031 8.953 -0.550 5 1HB MET 1 1HB MET 1 -14.534 9.699 1.873 6 2HB MET 1 2HB MET 1 -13.888 8.302 1.024 7 1HG MET 1 1HG MET 1 -13.037 9.561 -0.591 8 2HG MET 1 2HG MET 1 -14.542 10.453 -0.795 9 1HE MET 1 1HE MET 1 -14.824 12.447 -0.619 10 2HE MET 1 2HE MET 1 -14.586 13.373 0.863 11 3HE MET 1 3HE MET 1 -13.473 13.573 -0.489 12 H ASP 2 H ASP 2 -14.461 6.823 -0.144 13 HA ASP 2 HA ASP 2 -15.727 4.875 1.566 14 1HB ASP 2 1HB ASP 2 -17.165 4.999 -0.522 15 2HB ASP 2 2HB ASP 2 -15.780 4.371 -1.410 16 H ARG 3 H ARG 3 -13.400 5.603 -0.979 17 HA ARG 3 HA ARG 3 -11.803 3.267 -0.305 18 1HB ARG 3 1HB ARG 3 -11.962 5.154 -2.550 19 2HB ARG 3 2HB ARG 3 -10.321 4.692 -2.119 20 1HG ARG 3 1HG ARG 3 -11.094 2.294 -2.247 21 2HG ARG 3 2HG ARG 3 -12.580 2.909 -2.975 22 1HD ARG 3 1HD ARG 3 -10.966 4.138 -4.596 23 2HD ARG 3 2HD ARG 3 -9.786 2.949 -4.045 24 HE ARG 3 HE ARG 3 -12.174 1.660 -4.820 25 1HH1 ARG 3 1HH1 ARG 3 -9.456 2.415 -7.663 26 2HH1 ARG 3 2HH1 ARG 3 -9.400 3.290 -6.169 27 1HH2 ARG 3 1HH2 ARG 3 -11.074 0.838 -8.012 28 2HH2 ARG 3 2HH2 ARG 3 -12.250 0.509 -6.784 29 H VAL 4 H VAL 4 -11.565 4.247 1.936 30 HA VAL 4 HA VAL 4 -9.138 5.912 1.958 31 HB VAL 4 HB VAL 4 -9.908 6.938 4.083 32 1HG1 VAL 4 1HG1 VAL 4 -11.486 7.345 1.564 33 2HG1 VAL 4 2HG1 VAL 4 -11.719 8.364 2.984 34 3HG1 VAL 4 3HG1 VAL 4 -10.144 8.299 2.193 35 1HG2 VAL 4 1HG2 VAL 4 -11.651 4.993 4.369 36 2HG2 VAL 4 2HG2 VAL 4 -11.978 6.602 5.008 37 3HG2 VAL 4 3HG2 VAL 4 -12.700 6.095 3.482 38 H LEU 5 H LEU 5 -7.491 5.051 3.009 39 HA LEU 5 HA LEU 5 -7.902 2.589 4.508 40 1HB LEU 5 1HB LEU 5 -5.657 2.140 4.169 41 2HB LEU 5 2HB LEU 5 -6.150 2.910 2.697 42 HG LEU 5 HG LEU 5 -4.820 4.498 4.861 43 1HD1 LEU 5 1HD1 LEU 5 -3.296 2.689 4.489 44 2HD1 LEU 5 2HD1 LEU 5 -3.504 2.800 2.747 45 3HD1 LEU 5 3HD1 LEU 5 -2.691 4.096 3.622 46 1HD2 LEU 5 1HD2 LEU 5 -4.081 5.253 2.275 47 2HD2 LEU 5 2HD2 LEU 5 -5.810 4.924 2.215 48 3HD2 LEU 5 3HD2 LEU 5 -5.174 6.093 3.372 49 H SER 6 H SER 6 -7.381 2.265 6.613 50 HA SER 6 HA SER 6 -7.384 4.629 8.279 51 1HB SER 6 1HB SER 6 -7.590 2.994 10.148 52 2HB SER 6 2HB SER 6 -8.829 2.782 8.910 53 HG SER 6 HG SER 6 -6.613 1.172 9.513 54 H ARG 7 H ARG 7 -5.983 4.124 10.452 55 HA ARG 7 HA ARG 7 -3.351 4.739 9.777 56 1HB ARG 7 1HB ARG 7 -2.830 4.424 12.142 57 2HB ARG 7 2HB ARG 7 -4.342 5.298 11.945 58 1HG ARG 7 1HG ARG 7 -5.610 3.570 12.751 59 2HG ARG 7 2HG ARG 7 -4.428 2.343 12.292 60 1HD ARG 7 1HD ARG 7 -3.226 2.589 14.193 61 2HD ARG 7 2HD ARG 7 -3.557 4.316 14.305 62 HE ARG 7 HE ARG 7 -5.934 2.935 14.806 63 1HH1 ARG 7 1HH1 ARG 7 -3.375 3.192 17.878 64 2HH1 ARG 7 2HH1 ARG 7 -2.798 3.415 16.259 65 1HH2 ARG 7 1HH2 ARG 7 -5.585 2.753 18.259 66 2HH2 ARG 7 2HH2 ARG 7 -6.694 2.641 16.934 67 H ALA 8 H ALA 8 -4.859 1.640 10.502 68 HA ALA 8 HA ALA 8 -2.487 0.129 10.720 69 1HB ALA 8 1HB ALA 8 -4.505 -1.546 9.679 70 2HB ALA 8 2HB ALA 8 -3.984 -1.380 11.355 71 3HB ALA 8 3HB ALA 8 -5.298 -0.380 10.739 72 H ASP 9 H ASP 9 -4.574 0.910 7.960 73 HA ASP 9 HA ASP 9 -3.338 -0.723 6.059 74 1HB ASP 9 1HB ASP 9 -4.809 1.895 5.822 75 2HB ASP 9 2HB ASP 9 -4.249 1.009 4.422 76 H LYS 10 H LYS 10 -2.843 2.778 6.568 77 HA LYS 10 HA LYS 10 -0.635 2.997 4.859 78 1HB LYS 10 1HB LYS 10 -0.122 5.080 6.275 79 2HB LYS 10 2HB LYS 10 -1.648 5.028 5.409 80 1HG LYS 10 1HG LYS 10 -2.585 5.596 7.341 81 2HG LYS 10 2HG LYS 10 -2.290 3.937 7.834 82 1HD LYS 10 1HD LYS 10 -1.436 5.388 9.539 83 2HD LYS 10 2HD LYS 10 -0.067 4.649 8.704 84 1HE LYS 10 1HE LYS 10 0.323 7.024 9.086 85 2HE LYS 10 2HE LYS 10 0.209 6.674 7.363 86 1HZ LYS 10 1HZ LYS 10 -1.889 7.887 9.076 87 2HZ LYS 10 2HZ LYS 10 -1.030 8.641 7.831 88 3HZ LYS 10 3HZ LYS 10 -2.135 7.415 7.470 89 H GLU 11 H GLU 11 -0.808 2.431 8.356 90 HA GLU 11 HA GLU 11 1.978 2.452 8.810 91 1HB GLU 11 1HB GLU 11 -0.322 1.214 10.315 92 2HB GLU 11 2HB GLU 11 1.341 1.048 10.859 93 1HG GLU 11 1HG GLU 11 0.818 3.795 10.302 94 2HG GLU 11 2HG GLU 11 -0.452 3.162 11.347 95 H ARG 12 H ARG 12 -0.207 0.054 7.573 96 HA ARG 12 HA ARG 12 1.698 -2.114 7.831 97 1HB ARG 12 1HB ARG 12 -0.693 -2.590 8.060 98 2HB ARG 12 2HB ARG 12 -0.985 -1.971 6.441 99 1HG ARG 12 1HG ARG 12 -0.992 -4.320 6.268 100 2HG ARG 12 2HG ARG 12 0.550 -3.784 5.599 101 1HD ARG 12 1HD ARG 12 1.744 -4.785 7.222 102 2HD ARG 12 2HD ARG 12 0.589 -4.343 8.479 103 HE ARG 12 HE ARG 12 -0.306 -6.426 6.692 104 1HH1 ARG 12 1HH1 ARG 12 1.073 -7.245 10.362 105 2HH1 ARG 12 2HH1 ARG 12 1.366 -5.687 9.667 106 1HH2 ARG 12 1HH2 ARG 12 -0.095 -8.827 9.195 107 2HH2 ARG 12 2HH2 ARG 12 -0.692 -8.472 7.608 108 H LEU 13 H LEU 13 0.672 0.223 5.477 109 HA LEU 13 HA LEU 13 1.703 -1.054 3.164 110 1HB LEU 13 1HB LEU 13 0.099 0.671 2.863 111 2HB LEU 13 2HB LEU 13 1.020 1.800 3.833 112 HG LEU 13 HG LEU 13 2.775 1.277 1.799 113 1HD1 LEU 13 1HD1 LEU 13 0.089 1.511 0.479 114 2HD1 LEU 13 2HD1 LEU 13 1.659 1.220 -0.269 115 3HD1 LEU 13 3HD1 LEU 13 0.899 -0.037 0.707 116 1HD2 LEU 13 1HD2 LEU 13 0.678 3.417 1.611 117 2HD2 LEU 13 2HD2 LEU 13 1.945 3.449 2.842 118 3HD2 LEU 13 3HD2 LEU 13 2.375 3.487 1.130 119 H LEU 14 H LEU 14 3.064 0.926 5.674 120 HA LEU 14 HA LEU 14 5.514 1.494 4.299 121 1HB LEU 14 1HB LEU 14 4.646 1.782 7.167 122 2HB LEU 14 2HB LEU 14 6.234 2.260 6.594 123 HG LEU 14 HG LEU 14 3.622 3.388 5.594 124 1HD1 LEU 14 1HD1 LEU 14 3.641 4.680 7.393 125 2HD1 LEU 14 2HD1 LEU 14 5.168 3.988 7.928 126 3HD1 LEU 14 3HD1 LEU 14 5.164 5.367 6.836 127 1HD2 LEU 14 1HD2 LEU 14 5.908 5.005 5.052 128 2HD2 LEU 14 2HD2 LEU 14 6.206 3.372 4.454 129 3HD2 LEU 14 3HD2 LEU 14 4.781 4.261 3.916 130 H GLU 15 H GLU 15 4.406 -0.870 6.661 131 HA GLU 15 HA GLU 15 6.881 -1.968 7.367 132 1HB GLU 15 1HB GLU 15 4.139 -3.222 7.217 133 2HB GLU 15 2HB GLU 15 5.539 -4.029 7.912 134 1HG GLU 15 1HG GLU 15 5.539 -1.633 9.226 135 2HG GLU 15 2HG GLU 15 3.817 -1.949 9.021 136 H LEU 16 H LEU 16 4.764 -2.587 4.627 137 HA LEU 16 HA LEU 16 6.401 -4.773 3.670 138 1HB LEU 16 1HB LEU 16 3.840 -3.508 2.880 139 2HB LEU 16 2HB LEU 16 4.763 -4.274 1.601 140 HG LEU 16 HG LEU 16 4.825 -6.332 3.165 141 1HD1 LEU 16 1HD1 LEU 16 2.241 -5.673 4.267 142 2HD1 LEU 16 2HD1 LEU 16 3.679 -6.306 5.066 143 3HD1 LEU 16 3HD1 LEU 16 3.485 -4.567 4.851 144 1HD2 LEU 16 1HD2 LEU 16 3.572 -6.140 1.035 145 2HD2 LEU 16 2HD2 LEU 16 2.768 -7.155 2.232 146 3HD2 LEU 16 3HD2 LEU 16 2.196 -5.512 1.942 147 H LEU 17 H LEU 17 6.279 -1.362 3.305 148 HA LEU 17 HA LEU 17 7.720 -1.381 0.786 149 1HB LEU 17 1HB LEU 17 6.364 0.663 2.425 150 2HB LEU 17 2HB LEU 17 7.736 1.207 1.480 151 HG LEU 17 HG LEU 17 6.686 0.526 -0.570 152 1HD1 LEU 17 1HD1 LEU 17 4.094 -0.194 0.025 153 2HD1 LEU 17 2HD1 LEU 17 5.383 -1.270 -0.513 154 3HD1 LEU 17 3HD1 LEU 17 5.053 -1.083 1.207 155 1HD2 LEU 17 1HD2 LEU 17 4.301 1.756 0.063 156 2HD2 LEU 17 2HD2 LEU 17 5.417 2.369 1.284 157 3HD2 LEU 17 3HD2 LEU 17 5.792 2.561 -0.429 158 H LYS 18 H LYS 18 8.631 -1.859 3.902 159 HA LYS 18 HA LYS 18 10.592 -1.614 5.054 160 1HB LYS 18 1HB LYS 18 11.269 -2.107 2.269 161 2HB LYS 18 2HB LYS 18 12.516 -1.189 3.096 162 1HG LYS 18 1HG LYS 18 13.176 -3.386 3.418 163 2HG LYS 18 2HG LYS 18 12.333 -3.001 4.920 164 1HD LYS 18 1HD LYS 18 10.694 -4.129 2.729 165 2HD LYS 18 2HD LYS 18 11.853 -5.219 3.492 166 1HE LYS 18 1HE LYS 18 10.578 -3.811 5.573 167 2HE LYS 18 2HE LYS 18 9.309 -4.313 4.454 168 1HZ LYS 18 1HZ LYS 18 9.926 -6.560 4.683 169 2HZ LYS 18 2HZ LYS 18 11.370 -6.179 5.477 170 3HZ LYS 18 3HZ LYS 18 9.890 -5.937 6.256 171 H LEU 19 H LEU 19 9.042 0.770 4.056 172 HA LEU 19 HA LEU 19 11.115 2.831 4.206 173 1HB LEU 19 1HB LEU 19 9.809 2.887 2.177 174 2HB LEU 19 2HB LEU 19 8.314 2.851 3.091 175 HG LEU 19 HG LEU 19 10.049 5.121 3.741 176 1HD1 LEU 19 1HD1 LEU 19 8.767 5.916 1.365 177 2HD1 LEU 19 2HD1 LEU 19 10.497 5.831 1.692 178 3HD1 LEU 19 3HD1 LEU 19 9.665 4.443 0.993 179 1HD2 LEU 19 1HD2 LEU 19 7.875 6.305 3.454 180 2HD2 LEU 19 2HD2 LEU 19 7.149 4.762 3.005 181 3HD2 LEU 19 3HD2 LEU 19 7.823 4.983 4.619 182 HA PRO 20 HA PRO 20 9.770 3.236 8.494 183 1HB PRO 20 1HB PRO 20 11.133 5.850 8.062 184 2HB PRO 20 2HB PRO 20 11.303 4.694 9.388 185 1HG PRO 20 1HG PRO 20 13.142 4.889 7.451 186 2HG PRO 20 2HG PRO 20 12.734 3.336 8.199 187 1HD PRO 20 1HD PRO 20 12.065 4.373 5.508 188 2HD PRO 20 2HD PRO 20 12.252 2.698 6.061 189 H ARG 21 H ARG 21 8.642 4.840 9.790 190 HA ARG 21 HA ARG 21 6.514 6.103 8.268 191 1HB ARG 21 1HB ARG 21 6.767 5.856 11.266 192 2HB ARG 21 2HB ARG 21 5.312 6.212 10.346 193 1HG ARG 21 1HG ARG 21 4.852 4.046 10.418 194 2HG ARG 21 2HG ARG 21 6.205 3.800 9.315 195 1HD ARG 21 1HD ARG 21 7.691 3.664 11.338 196 2HD ARG 21 2HD ARG 21 6.222 3.628 12.318 197 HE ARG 21 HE ARG 21 6.333 1.652 10.215 198 1HH1 ARG 21 1HH1 ARG 21 7.045 0.686 14.035 199 2HH1 ARG 21 2HH1 ARG 21 7.079 2.350 13.553 200 1HH2 ARG 21 1HH2 ARG 21 6.591 -0.947 12.501 201 2HH2 ARG 21 2HH2 ARG 21 6.281 -0.529 10.848 202 H GLN 22 H GLN 22 9.445 7.034 9.526 203 HA GLN 22 HA GLN 22 8.733 9.607 10.555 204 1HB GLN 22 1HB GLN 22 10.858 8.060 10.930 205 2HB GLN 22 2HB GLN 22 11.489 9.015 9.597 206 1HG GLN 22 1HG GLN 22 11.460 10.978 10.813 207 2HG GLN 22 2HG GLN 22 10.269 10.367 11.962 208 1HE2 GLN 22 1HE2 GLN 22 14.125 10.170 12.832 209 2HE2 GLN 22 2HE2 GLN 22 13.437 11.129 11.571 210 H LEU 23 H LEU 23 9.781 8.334 7.478 211 HA LEU 23 HA LEU 23 9.897 11.031 6.370 212 1HB LEU 23 1HB LEU 23 11.064 10.144 4.512 213 2HB LEU 23 2HB LEU 23 11.760 9.435 5.948 214 HG LEU 23 HG LEU 23 11.668 7.772 4.226 215 1HD1 LEU 23 1HD1 LEU 23 9.405 7.109 6.081 216 2HD1 LEU 23 2HD1 LEU 23 10.533 5.995 5.305 217 3HD1 LEU 23 3HD1 LEU 23 11.096 7.090 6.574 218 1HD2 LEU 23 1HD2 LEU 23 9.738 8.945 3.036 219 2HD2 LEU 23 2HD2 LEU 23 9.807 7.185 2.983 220 3HD2 LEU 23 3HD2 LEU 23 8.693 7.983 4.086 221 H TRP 24 H TRP 24 7.458 9.230 7.046 222 HA TRP 24 HA TRP 24 6.016 8.539 4.795 223 1HB TRP 24 1HB TRP 24 5.293 8.019 7.059 224 2HB TRP 24 2HB TRP 24 5.046 9.723 7.403 225 HD1 TRP 24 HD1 TRP 24 2.718 10.737 6.819 226 HE1 TRP 24 HE1 TRP 24 0.529 9.761 5.877 227 HE3 TRP 24 HE3 TRP 24 4.455 6.199 5.255 228 HZ2 TRP 24 HZ2 TRP 24 -0.350 7.369 4.647 229 HZ3 TRP 24 HZ3 TRP 24 2.882 4.620 4.205 230 HH2 TRP 24 HH2 TRP 24 0.532 5.203 3.902 231 H GLY 25 H GLY 25 6.128 9.920 3.048 232 1HA GLY 25 1HA GLY 25 4.303 11.815 2.538 233 2HA GLY 25 2HA GLY 25 5.526 12.742 3.388 234 H ASP 26 H ASP 26 7.660 10.979 2.206 235 HA ASP 26 HA ASP 26 8.068 12.550 -0.175 236 1HB ASP 26 1HB ASP 26 9.887 11.942 1.462 237 2HB ASP 26 2HB ASP 26 9.781 10.290 0.864 238 H PHE 27 H PHE 27 6.475 11.852 -1.634 239 HA PHE 27 HA PHE 27 5.735 9.297 -2.286 240 1HB PHE 27 1HB PHE 27 4.743 11.394 -3.232 241 2HB PHE 27 2HB PHE 27 6.124 11.494 -4.324 242 HD1 PHE 27 HD1 PHE 27 3.783 8.814 -3.213 243 HD2 PHE 27 HD2 PHE 27 5.647 10.824 -6.467 244 HE1 PHE 27 HE1 PHE 27 2.641 7.310 -4.787 245 HE2 PHE 27 HE2 PHE 27 4.505 9.325 -8.051 246 HZ PHE 27 HZ PHE 27 3.000 7.565 -7.210 247 H GLY 28 H GLY 28 8.621 11.015 -3.315 248 1HA GLY 28 1HA GLY 28 9.432 9.235 -5.338 249 2HA GLY 28 2HA GLY 28 10.484 10.330 -4.457 250 H ARG 29 H ARG 29 10.150 9.259 -1.863 251 HA ARG 29 HA ARG 29 11.972 7.061 -2.052 252 1HB ARG 29 1HB ARG 29 10.801 8.681 0.149 253 2HB ARG 29 2HB ARG 29 11.475 7.107 0.556 254 1HG ARG 29 1HG ARG 29 13.091 8.984 -1.096 255 2HG ARG 29 2HG ARG 29 12.950 9.264 0.640 256 1HD ARG 29 1HD ARG 29 13.720 6.945 1.034 257 2HD ARG 29 2HD ARG 29 13.946 6.756 -0.705 258 HE ARG 29 HE ARG 29 15.914 7.886 -0.517 259 1HH1 ARG 29 1HH1 ARG 29 15.208 9.526 3.068 260 2HH1 ARG 29 2HH1 ARG 29 13.968 8.602 2.290 261 1HH2 ARG 29 1HH2 ARG 29 17.240 9.812 2.054 262 2HH2 ARG 29 2HH2 ARG 29 17.545 9.103 0.503 263 H MET 30 H MET 30 8.553 7.376 -1.184 264 HA MET 30 HA MET 30 8.303 4.662 -0.325 265 1HB MET 30 1HB MET 30 5.836 5.117 -0.473 266 2HB MET 30 2HB MET 30 6.737 6.214 0.565 267 1HG MET 30 1HG MET 30 6.677 7.931 -1.089 268 2HG MET 30 2HG MET 30 5.978 6.835 -2.272 269 1HE MET 30 1HE MET 30 5.728 8.461 1.048 270 2HE MET 30 2HE MET 30 4.036 8.928 1.236 271 3HE MET 30 3HE MET 30 4.556 7.300 1.672 272 H GLN 31 H GLN 31 7.664 6.364 -3.362 273 HA GLN 31 HA GLN 31 6.481 4.146 -4.672 274 1HB GLN 31 1HB GLN 31 6.387 6.584 -5.407 275 2HB GLN 31 2HB GLN 31 8.014 6.358 -6.038 276 1HG GLN 31 1HG GLN 31 7.102 4.451 -7.399 277 2HG GLN 31 2HG GLN 31 5.493 4.974 -6.907 278 1HE2 GLN 31 1HE2 GLN 31 5.398 6.925 -9.766 279 2HE2 GLN 31 2HE2 GLN 31 4.731 5.626 -8.841 280 H GLN 32 H GLN 32 9.786 5.276 -4.291 281 HA GLN 32 HA GLN 32 10.980 3.486 -6.136 282 1HB GLN 32 1HB GLN 32 11.860 5.581 -4.556 283 2HB GLN 32 2HB GLN 32 12.648 4.186 -3.838 284 1HG GLN 32 1HG GLN 32 14.177 4.251 -5.425 285 2HG GLN 32 2HG GLN 32 12.928 3.945 -6.632 286 1HE2 GLN 32 1HE2 GLN 32 14.858 7.356 -6.737 287 2HE2 GLN 32 2HE2 GLN 32 15.395 5.891 -5.995 288 H ALA 33 H ALA 33 10.123 3.290 -2.742 289 HA ALA 33 HA ALA 33 11.412 0.761 -2.311 290 1HB ALA 33 1HB ALA 33 11.107 1.308 -0.180 291 2HB ALA 33 2HB ALA 33 10.236 2.753 -0.692 292 3HB ALA 33 3HB ALA 33 9.357 1.255 -0.387 293 H TYR 34 H TYR 34 8.246 1.882 -3.271 294 HA TYR 34 HA TYR 34 6.791 -0.480 -2.831 295 1HB TYR 34 1HB TYR 34 5.679 1.643 -3.295 296 2HB TYR 34 2HB TYR 34 6.373 1.677 -4.914 297 HD1 TYR 34 HD1 TYR 34 3.591 0.639 -2.932 298 HD2 TYR 34 HD2 TYR 34 5.750 -0.248 -6.494 299 HE1 TYR 34 HE1 TYR 34 1.664 -0.624 -3.791 300 HE2 TYR 34 HE2 TYR 34 3.820 -1.499 -7.362 301 HH TYR 34 HH TYR 34 1.215 -2.427 -5.426 302 H LYS 35 H LYS 35 8.592 0.667 -5.672 303 HA LYS 35 HA LYS 35 7.966 -1.580 -7.296 304 1HB LYS 35 1HB LYS 35 9.191 0.865 -7.707 305 2HB LYS 35 2HB LYS 35 10.514 -0.276 -7.903 306 1HG LYS 35 1HG LYS 35 8.494 -1.439 -9.352 307 2HG LYS 35 2HG LYS 35 8.250 0.283 -9.646 308 1HD LYS 35 1HD LYS 35 11.025 -0.759 -9.822 309 2HD LYS 35 2HD LYS 35 9.906 -1.191 -11.116 310 1HE LYS 35 1HE LYS 35 10.686 0.765 -11.973 311 2HE LYS 35 2HE LYS 35 9.370 1.407 -10.993 312 1HZ LYS 35 1HZ LYS 35 10.902 1.967 -9.268 313 2HZ LYS 35 2HZ LYS 35 12.180 1.193 -10.061 314 3HZ LYS 35 3HZ LYS 35 11.504 2.598 -10.717 315 H GLN 36 H GLN 36 10.681 -0.758 -5.192 316 HA GLN 36 HA GLN 36 12.298 -2.986 -5.799 317 1HB GLN 36 1HB GLN 36 12.808 -0.792 -4.455 318 2HB GLN 36 2HB GLN 36 12.271 -1.740 -3.074 319 1HG GLN 36 1HG GLN 36 14.508 -2.143 -3.005 320 2HG GLN 36 2HG GLN 36 13.977 -3.493 -4.007 321 1HE2 GLN 36 1HE2 GLN 36 16.940 -1.825 -5.525 322 2HE2 GLN 36 2HE2 GLN 36 16.589 -2.498 -3.973 323 H GLN 37 H GLN 37 9.607 -2.517 -3.626 324 HA GLN 37 HA GLN 37 9.975 -5.127 -2.386 325 1HB GLN 37 1HB GLN 37 7.954 -2.919 -1.975 326 2HB GLN 37 2HB GLN 37 7.883 -4.459 -1.129 327 1HG GLN 37 1HG GLN 37 10.128 -2.458 -0.992 328 2HG GLN 37 2HG GLN 37 8.915 -2.755 0.249 329 1HE2 GLN 37 1HE2 GLN 37 12.254 -4.693 0.544 330 2HE2 GLN 37 2HE2 GLN 37 11.976 -3.134 -0.145 331 H SER 38 H SER 38 8.236 -3.686 -4.976 332 HA SER 38 HA SER 38 6.078 -5.533 -5.097 333 1HB SER 38 1HB SER 38 7.258 -3.502 -6.950 334 2HB SER 38 2HB SER 38 6.145 -4.702 -7.607 335 HG SER 38 HG SER 38 4.715 -3.296 -6.937 336 H LEU 39 H LEU 39 9.316 -5.404 -6.458 337 HA LEU 39 HA LEU 39 9.091 -7.538 -8.263 338 1HB LEU 39 1HB LEU 39 11.307 -6.089 -6.944 339 2HB LEU 39 2HB LEU 39 11.687 -7.688 -7.555 340 HG LEU 39 HG LEU 39 10.499 -5.467 -9.219 341 1HD1 LEU 39 1HD1 LEU 39 12.658 -5.112 -10.136 342 2HD1 LEU 39 2HD1 LEU 39 12.825 -5.042 -8.382 343 3HD1 LEU 39 3HD1 LEU 39 13.329 -6.487 -9.259 344 1HD2 LEU 39 1HD2 LEU 39 10.927 -8.306 -9.653 345 2HD2 LEU 39 2HD2 LEU 39 10.009 -7.142 -10.606 346 3HD2 LEU 39 3HD2 LEU 39 11.747 -7.312 -10.857 347 H LEU 40 H LEU 40 10.260 -7.507 -4.885 348 HA LEU 40 HA LEU 40 10.709 -10.289 -4.780 349 1HB LEU 40 1HB LEU 40 10.621 -9.976 -2.280 350 2HB LEU 40 2HB LEU 40 11.806 -9.021 -3.138 351 HG LEU 40 HG LEU 40 9.867 -7.197 -3.029 352 1HD1 LEU 40 1HD1 LEU 40 8.329 -7.441 -1.401 353 2HD1 LEU 40 2HD1 LEU 40 8.634 -9.161 -1.639 354 3HD1 LEU 40 3HD1 LEU 40 9.442 -8.295 -0.333 355 1HD2 LEU 40 1HD2 LEU 40 11.223 -7.379 -0.453 356 2HD2 LEU 40 2HD2 LEU 40 12.305 -7.624 -1.823 357 3HD2 LEU 40 3HD2 LEU 40 11.347 -6.150 -1.711 358 H LEU 41 H LEU 41 7.824 -8.440 -4.651 359 HA LEU 41 HA LEU 41 6.314 -10.638 -3.457 360 1HB LEU 41 1HB LEU 41 5.657 -7.787 -4.119 361 2HB LEU 41 2HB LEU 41 4.388 -8.949 -3.784 362 HG LEU 41 HG LEU 41 6.641 -8.443 -1.855 363 1HD1 LEU 41 1HD1 LEU 41 5.425 -6.336 -2.329 364 2HD1 LEU 41 2HD1 LEU 41 3.929 -7.131 -1.835 365 3HD1 LEU 41 3HD1 LEU 41 5.233 -6.902 -0.669 366 1HD2 LEU 41 1HD2 LEU 41 3.906 -9.681 -1.606 367 2HD2 LEU 41 2HD2 LEU 41 5.460 -10.505 -1.492 368 3HD2 LEU 41 3HD2 LEU 41 4.981 -9.349 -0.249 369 H HIS 42 H HIS 42 7.485 -10.221 -6.391 370 HA HIS 42 HA HIS 42 5.089 -10.573 -7.971 371 1HB HIS 42 1HB HIS 42 7.245 -9.343 -8.682 372 2HB HIS 42 2HB HIS 42 7.912 -10.949 -8.954 373 HD1 HIS 42 HD1 HIS 42 6.374 -8.327 -10.741 374 HD2 HIS 42 HD2 HIS 42 5.981 -12.460 -10.807 375 HE1 HIS 42 HE1 HIS 42 5.362 -8.876 -12.980 376 HE2 HIS 42 HE2 HIS 42 5.236 -11.391 -13.033 377 HA PRO 43 HA PRO 43 4.666 -14.975 -7.478 378 1HB PRO 43 1HB PRO 43 4.016 -14.801 -10.385 379 2HB PRO 43 2HB PRO 43 3.146 -15.619 -9.085 380 1HG PRO 43 1HG PRO 43 2.305 -13.277 -10.066 381 2HG PRO 43 2HG PRO 43 2.144 -13.679 -8.347 382 1HD PRO 43 1HD PRO 43 3.993 -11.783 -9.679 383 2HD PRO 43 2HD PRO 43 3.361 -11.775 -8.024 384 H ASP 44 H ASP 44 6.795 -13.476 -9.767 385 HA ASP 44 HA ASP 44 7.997 -16.006 -10.550 386 1HB ASP 44 1HB ASP 44 8.244 -13.171 -11.464 387 2HB ASP 44 2HB ASP 44 9.576 -14.278 -11.780 388 H LYS 45 H LYS 45 8.582 -13.290 -8.452 389 HA LYS 45 HA LYS 45 11.291 -14.228 -7.860 390 1HB LYS 45 1HB LYS 45 9.883 -11.768 -6.821 391 2HB LYS 45 2HB LYS 45 11.597 -12.135 -6.693 392 1HG LYS 45 1HG LYS 45 10.234 -11.833 -9.346 393 2HG LYS 45 2HG LYS 45 10.889 -10.455 -8.460 394 1HD LYS 45 1HD LYS 45 13.067 -11.150 -8.725 395 2HD LYS 45 2HD LYS 45 12.614 -12.846 -8.908 396 1HE LYS 45 1HE LYS 45 13.162 -12.348 -11.070 397 2HE LYS 45 2HE LYS 45 11.445 -11.943 -11.088 398 1HZ LYS 45 1HZ LYS 45 12.761 -10.210 -12.123 399 2HZ LYS 45 2HZ LYS 45 12.034 -9.624 -10.713 400 3HZ LYS 45 3HZ LYS 45 13.680 -10.020 -10.715 401 H GLY 46 H GLY 46 8.878 -15.697 -7.023 402 1HA GLY 46 1HA GLY 46 8.130 -16.833 -5.176 403 2HA GLY 46 2HA GLY 46 9.665 -16.410 -4.432 404 H GLY 47 H GLY 47 6.313 -15.506 -4.832 405 1HA GLY 47 1HA GLY 47 6.434 -14.055 -2.317 406 2HA GLY 47 2HA GLY 47 5.992 -13.097 -3.722 407 H SER 48 H SER 48 4.276 -13.323 -1.590 408 HA SER 48 HA SER 48 2.313 -15.371 -2.215 409 1HB SER 48 1HB SER 48 2.696 -13.385 -0.020 410 2HB SER 48 2HB SER 48 1.063 -13.975 -0.329 411 HG SER 48 HG SER 48 1.667 -15.985 0.210 412 H HIS 49 H HIS 49 0.147 -14.926 -2.797 413 HA HIS 49 HA HIS 49 -0.112 -12.723 -4.634 414 1HB HIS 49 1HB HIS 49 -1.029 -15.106 -4.938 415 2HB HIS 49 2HB HIS 49 -2.316 -14.616 -3.842 416 HD1 HIS 49 HD1 HIS 49 -3.365 -12.094 -4.751 417 HD2 HIS 49 HD2 HIS 49 -1.841 -14.827 -7.484 418 HE1 HIS 49 HE1 HIS 49 -4.389 -11.474 -6.964 419 HE2 HIS 49 HE2 HIS 49 -3.482 -13.165 -8.597 420 H ALA 50 H ALA 50 -1.383 -13.620 -1.485 421 HA ALA 50 HA ALA 50 -3.361 -11.607 -1.320 422 1HB ALA 50 1HB ALA 50 -2.993 -12.049 1.231 423 2HB ALA 50 2HB ALA 50 -3.714 -13.287 0.204 424 3HB ALA 50 3HB ALA 50 -2.010 -13.393 0.648 425 H LEU 51 H LEU 51 0.066 -11.528 -0.959 426 HA LEU 51 HA LEU 51 0.068 -9.064 0.574 427 1HB LEU 51 1HB LEU 51 2.100 -10.992 -0.379 428 2HB LEU 51 2HB LEU 51 2.626 -9.327 -0.248 429 HG LEU 51 HG LEU 51 1.416 -9.670 2.166 430 1HD1 LEU 51 1HD1 LEU 51 1.631 -11.770 3.018 431 2HD1 LEU 51 2HD1 LEU 51 1.287 -12.176 1.337 432 3HD1 LEU 51 3HD1 LEU 51 2.949 -12.201 1.926 433 1HD2 LEU 51 1HD2 LEU 51 4.255 -10.528 1.892 434 2HD2 LEU 51 2HD2 LEU 51 3.804 -8.903 1.376 435 3HD2 LEU 51 3HD2 LEU 51 3.518 -9.410 3.040 436 H MET 52 H MET 52 1.022 -10.125 -2.673 437 HA MET 52 HA MET 52 1.811 -7.657 -3.689 438 1HB MET 52 1HB MET 52 1.635 -10.222 -4.663 439 2HB MET 52 2HB MET 52 0.437 -9.373 -5.629 440 1HG MET 52 1HG MET 52 3.217 -8.312 -5.291 441 2HG MET 52 2HG MET 52 2.824 -9.516 -6.516 442 1HE MET 52 1HE MET 52 3.511 -6.265 -5.738 443 2HE MET 52 2HE MET 52 2.872 -5.249 -7.029 444 3HE MET 52 3HE MET 52 1.925 -5.516 -5.565 445 H GLN 53 H GLN 53 -1.385 -9.009 -3.253 446 HA GLN 53 HA GLN 53 -2.661 -6.965 -4.849 447 1HB GLN 53 1HB GLN 53 -4.770 -8.004 -4.078 448 2HB GLN 53 2HB GLN 53 -3.670 -9.160 -4.814 449 1HG GLN 53 1HG GLN 53 -4.036 -10.423 -3.029 450 2HG GLN 53 2HG GLN 53 -3.009 -9.290 -2.150 451 1HE2 GLN 53 1HE2 GLN 53 -5.614 -8.803 0.073 452 2HE2 GLN 53 2HE2 GLN 53 -3.978 -9.286 -0.206 453 H GLU 54 H GLU 54 -2.157 -7.661 -1.426 454 HA GLU 54 HA GLU 54 -3.840 -5.631 -0.410 455 1HB GLU 54 1HB GLU 54 -1.999 -7.561 0.642 456 2HB GLU 54 2HB GLU 54 -1.659 -5.997 1.370 457 1HG GLU 54 1HG GLU 54 -4.428 -7.143 1.264 458 2HG GLU 54 2HG GLU 54 -3.303 -7.506 2.572 459 H LEU 55 H LEU 55 -0.498 -5.690 -1.468 460 HA LEU 55 HA LEU 55 0.223 -3.124 -0.516 461 1HB LEU 55 1HB LEU 55 1.944 -4.683 -1.031 462 2HB LEU 55 2HB LEU 55 1.335 -4.923 -2.655 463 HG LEU 55 HG LEU 55 1.901 -2.376 -2.927 464 1HD1 LEU 55 1HD1 LEU 55 4.106 -2.039 -1.598 465 2HD1 LEU 55 2HD1 LEU 55 2.558 -1.674 -0.837 466 3HD1 LEU 55 3HD1 LEU 55 3.386 -3.189 -0.472 467 1HD2 LEU 55 1HD2 LEU 55 3.454 -3.195 -4.287 468 2HD2 LEU 55 2HD2 LEU 55 4.436 -3.746 -2.929 469 3HD2 LEU 55 3HD2 LEU 55 3.157 -4.779 -3.570 470 H ASN 56 H ASN 56 -0.901 -4.303 -3.672 471 HA ASN 56 HA ASN 56 -0.778 -1.845 -5.023 472 1HB ASN 56 1HB ASN 56 -2.040 -4.475 -5.479 473 2HB ASN 56 2HB ASN 56 -2.808 -3.120 -6.306 474 1HD2 ASN 56 1HD2 ASN 56 0.798 -4.529 -7.484 475 2HD2 ASN 56 2HD2 ASN 56 0.013 -5.101 -6.056 476 H SER 57 H SER 57 -3.327 -3.339 -3.096 477 HA SER 57 HA SER 57 -5.257 -1.296 -3.657 478 1HB SER 57 1HB SER 57 -5.543 -3.799 -2.784 479 2HB SER 57 2HB SER 57 -5.494 -2.995 -1.217 480 HG SER 57 HG SER 57 -7.462 -3.012 -3.114 481 H LEU 58 H LEU 58 -2.834 -1.871 -1.201 482 HA LEU 58 HA LEU 58 -3.780 0.195 0.559 483 1HB LEU 58 1HB LEU 58 -1.437 -1.643 0.481 484 2HB LEU 58 2HB LEU 58 -1.328 -0.204 1.477 485 HG LEU 58 HG LEU 58 -3.595 -2.168 1.736 486 1HD1 LEU 58 1HD1 LEU 58 -0.856 -2.216 2.943 487 2HD1 LEU 58 2HD1 LEU 58 -2.239 -2.891 3.805 488 3HD1 LEU 58 3HD1 LEU 58 -1.784 -3.533 2.227 489 1HD2 LEU 58 1HD2 LEU 58 -2.706 -0.670 4.073 490 2HD2 LEU 58 2HD2 LEU 58 -3.239 0.370 2.754 491 3HD2 LEU 58 3HD2 LEU 58 -4.321 -0.861 3.396 492 H TRP 59 H TRP 59 -1.519 -0.029 -2.086 493 HA TRP 59 HA TRP 59 -0.370 2.580 -1.522 494 1HB TRP 59 1HB TRP 59 1.158 0.917 -2.316 495 2HB TRP 59 2HB TRP 59 0.104 0.496 -3.656 496 HD1 TRP 59 HD1 TRP 59 0.561 1.652 -5.897 497 HE1 TRP 59 HE1 TRP 59 2.160 3.494 -6.705 498 HE3 TRP 59 HE3 TRP 59 2.299 3.290 -1.364 499 HZ2 TRP 59 HZ2 TRP 59 3.929 5.373 -5.586 500 HZ3 TRP 59 HZ3 TRP 59 3.958 5.088 -1.333 501 HH2 TRP 59 HH2 TRP 59 4.749 6.121 -3.399 502 H GLY 60 H GLY 60 -2.833 1.107 -3.473 503 1HA GLY 60 1HA GLY 60 -3.076 3.182 -5.410 504 2HA GLY 60 2HA GLY 60 -4.280 1.954 -5.056 505 H THR 61 H THR 61 -5.314 2.335 -2.732 506 HA THR 61 HA THR 61 -6.851 4.652 -2.832 507 HB THR 61 HB THR 61 -6.866 2.458 -1.248 508 HG1 THR 61 HG1 THR 61 -8.046 4.915 -0.485 509 1HG2 THR 61 1HG2 THR 61 -5.492 4.480 0.375 510 2HG2 THR 61 2HG2 THR 61 -6.839 3.636 1.118 511 3HG2 THR 61 3HG2 THR 61 -5.472 2.722 0.480 512 H PHE 62 H PHE 62 -3.993 3.865 -1.016 513 HA PHE 62 HA PHE 62 -3.394 6.173 0.347 514 1HB PHE 62 1HB PHE 62 -2.067 4.117 0.460 515 2HB PHE 62 2HB PHE 62 -1.542 4.349 -1.205 516 HD1 PHE 62 HD1 PHE 62 -1.757 7.079 1.256 517 HD2 PHE 62 HD2 PHE 62 0.771 4.302 -0.751 518 HE1 PHE 62 HE1 PHE 62 0.222 8.305 2.055 519 HE2 PHE 62 HE2 PHE 62 2.748 5.525 0.047 520 HZ PHE 62 HZ PHE 62 2.474 7.518 1.445 521 H LYS 63 H LYS 63 -2.336 5.309 -2.908 522 HA LYS 63 HA LYS 63 -1.111 7.672 -3.650 523 1HB LYS 63 1HB LYS 63 -1.961 5.243 -4.882 524 2HB LYS 63 2HB LYS 63 -2.440 6.564 -5.916 525 1HG LYS 63 1HG LYS 63 -0.128 7.387 -5.923 526 2HG LYS 63 2HG LYS 63 0.342 6.024 -4.908 527 1HD LYS 63 1HD LYS 63 -0.668 5.965 -7.745 528 2HD LYS 63 2HD LYS 63 0.907 5.451 -7.144 529 1HE LYS 63 1HE LYS 63 0.079 3.389 -7.054 530 2HE LYS 63 2HE LYS 63 -0.906 3.920 -5.690 531 1HZ LYS 63 1HZ LYS 63 -2.431 4.746 -7.670 532 2HZ LYS 63 2HZ LYS 63 -1.655 3.486 -8.486 533 3HZ LYS 63 3HZ LYS 63 -2.527 3.167 -7.075 534 H THR 64 H THR 64 -4.549 6.794 -3.787 535 HA THR 64 HA THR 64 -5.556 8.829 -5.343 536 HB THR 64 HB THR 64 -6.796 7.893 -2.747 537 HG1 THR 64 HG1 THR 64 -6.537 6.660 -5.231 538 1HG2 THR 64 1HG2 THR 64 -7.943 9.169 -5.201 539 2HG2 THR 64 2HG2 THR 64 -8.921 8.240 -4.062 540 3HG2 THR 64 3HG2 THR 64 -8.075 9.691 -3.521 541 H GLU 65 H GLU 65 -4.568 8.900 -1.976 542 HA GLU 65 HA GLU 65 -5.192 11.709 -1.679 543 1HB GLU 65 1HB GLU 65 -3.556 10.068 0.245 544 2HB GLU 65 2HB GLU 65 -4.555 11.475 0.581 545 1HG GLU 65 1HG GLU 65 -5.946 9.106 -0.495 546 2HG GLU 65 2HG GLU 65 -5.295 8.968 1.135 547 H VAL 66 H VAL 66 -2.466 9.677 -2.437 548 HA VAL 66 HA VAL 66 -0.371 11.383 -1.847 549 HB VAL 66 HB VAL 66 -0.560 9.336 -4.035 550 1HG1 VAL 66 1HG1 VAL 66 1.306 11.324 -3.984 551 2HG1 VAL 66 2HG1 VAL 66 2.099 10.067 -3.038 552 3HG1 VAL 66 3HG1 VAL 66 1.556 9.725 -4.680 553 1HG2 VAL 66 1HG2 VAL 66 0.646 7.914 -2.502 554 2HG2 VAL 66 2HG2 VAL 66 0.793 9.231 -1.339 555 3HG2 VAL 66 3HG2 VAL 66 -0.790 8.542 -1.694 556 H TYR 67 H TYR 67 -2.425 11.244 -4.720 557 HA TYR 67 HA TYR 67 -0.961 13.137 -6.229 558 1HB TYR 67 1HB TYR 67 -3.144 11.523 -6.724 559 2HB TYR 67 2HB TYR 67 -3.856 13.135 -6.715 560 HD1 TYR 67 HD1 TYR 67 -0.494 12.034 -7.871 561 HD2 TYR 67 HD2 TYR 67 -4.286 13.625 -8.959 562 HE1 TYR 67 HE1 TYR 67 0.326 12.405 -10.157 563 HE2 TYR 67 HE2 TYR 67 -3.476 14.000 -11.252 564 HH TYR 67 HH TYR 67 -0.449 12.741 -12.363 565 H ASN 68 H ASN 68 -3.366 13.392 -3.731 566 HA ASN 68 HA ASN 68 -3.674 16.256 -4.125 567 1HB ASN 68 1HB ASN 68 -4.970 14.275 -2.254 568 2HB ASN 68 2HB ASN 68 -5.233 16.013 -2.120 569 1HD2 ASN 68 1HD2 ASN 68 -7.386 13.881 -4.662 570 2HD2 ASN 68 2HD2 ASN 68 -6.425 13.233 -3.381 571 H LEU 69 H LEU 69 -1.709 14.124 -2.296 572 HA LEU 69 HA LEU 69 -1.316 15.606 0.041 573 1HB LEU 69 1HB LEU 69 0.393 14.167 0.533 574 2HB LEU 69 2HB LEU 69 -0.472 13.226 -0.661 575 HG LEU 69 HG LEU 69 1.221 14.215 -2.360 576 1HD1 LEU 69 1HD1 LEU 69 2.402 15.862 -1.275 577 2HD1 LEU 69 2HD1 LEU 69 2.408 14.997 0.262 578 3HD1 LEU 69 3HD1 LEU 69 3.475 14.483 -1.046 579 1HD2 LEU 69 1HD2 LEU 69 2.767 12.448 -0.631 580 2HD2 LEU 69 2HD2 LEU 69 1.122 11.879 -0.906 581 3HD2 LEU 69 3HD2 LEU 69 2.185 12.199 -2.278 582 H ARG 70 H ARG 70 0.250 15.857 -3.119 583 HA ARG 70 HA ARG 70 2.041 17.906 -2.212 584 1HB ARG 70 1HB ARG 70 1.478 16.773 -4.941 585 2HB ARG 70 2HB ARG 70 2.641 18.063 -4.663 586 1HG ARG 70 1HG ARG 70 3.943 16.619 -3.217 587 2HG ARG 70 2HG ARG 70 2.753 15.330 -3.406 588 1HD ARG 70 1HD ARG 70 3.576 16.223 -5.990 589 2HD ARG 70 2HD ARG 70 5.006 15.885 -5.017 590 HE ARG 70 HE ARG 70 4.454 13.649 -5.005 591 1HH1 ARG 70 1HH1 ARG 70 0.955 14.104 -6.901 592 2HH1 ARG 70 2HH1 ARG 70 1.820 15.501 -6.359 593 1HH2 ARG 70 1HH2 ARG 70 1.797 12.014 -6.535 594 2HH2 ARG 70 2HH2 ARG 70 3.307 11.815 -5.713 595 H MET 71 H MET 71 -1.103 18.005 -2.728 596 HA MET 71 HA MET 71 -1.155 20.613 -4.047 597 1HB MET 71 1HB MET 71 -3.367 18.705 -3.273 598 2HB MET 71 2HB MET 71 -3.652 20.297 -3.961 599 1HG MET 71 1HG MET 71 -2.516 19.672 -5.991 600 2HG MET 71 2HG MET 71 -2.080 18.109 -5.301 601 1HE MET 71 1HE MET 71 -3.688 18.977 -8.066 602 2HE MET 71 2HE MET 71 -5.428 18.700 -8.000 603 3HE MET 71 3HE MET 71 -4.735 20.136 -7.247 604 H ASN 72 H ASN 72 -1.224 19.201 -0.948 605 HA ASN 72 HA ASN 72 -2.502 21.530 0.281 606 1HB ASN 72 1HB ASN 72 -2.041 18.724 1.071 607 2HB ASN 72 2HB ASN 72 -1.857 19.901 2.366 608 1HD2 ASN 72 1HD2 ASN 72 -5.299 19.195 2.741 609 2HD2 ASN 72 2HD2 ASN 72 -3.712 18.715 3.231 610 H LEU 73 H LEU 73 0.580 20.504 -0.570 611 HA LEU 73 HA LEU 73 1.982 21.576 1.710 612 1HB LEU 73 1HB LEU 73 2.747 20.299 -0.864 613 2HB LEU 73 2HB LEU 73 3.939 21.308 -0.069 614 HG LEU 73 HG LEU 73 2.607 19.232 1.587 615 1HD1 LEU 73 1HD1 LEU 73 2.996 17.844 -0.254 616 2HD1 LEU 73 2HD1 LEU 73 4.512 18.651 -0.658 617 3HD1 LEU 73 3HD1 LEU 73 4.415 17.620 0.769 618 1HD2 LEU 73 1HD2 LEU 73 5.527 19.885 1.413 619 2HD2 LEU 73 2HD2 LEU 73 4.411 20.935 2.286 620 3HD2 LEU 73 3HD2 LEU 73 4.606 19.252 2.777 621 H GLY 74 H GLY 74 0.187 23.271 -0.161 622 1HA GLY 74 1HA GLY 74 2.201 25.314 -0.836 623 2HA GLY 74 2HA GLY 74 0.636 25.159 -1.618 624 H GLY 75 H GLY 75 -1.287 25.455 -0.137 625 1HA GLY 75 1HA GLY 75 -1.946 26.397 2.073 626 2HA GLY 75 2HA GLY 75 -0.674 27.584 1.823 627 H THR 76 H THR 76 -1.097 28.258 -0.830 628 HA THR 76 HA THR 76 -3.408 29.963 -0.560 629 HB THR 76 HB THR 76 -2.595 30.573 -3.002 630 HG1 THR 76 HG1 THR 76 -1.124 28.733 -2.984 631 1HG2 THR 76 1HG2 THR 76 -0.766 32.000 -2.033 632 2HG2 THR 76 2HG2 THR 76 -2.365 32.198 -1.316 633 3HG2 THR 76 3HG2 THR 76 -1.133 31.258 -0.474 634 H GLY 77 H GLY 77 -5.389 29.548 -1.301 635 1HA GLY 77 1HA GLY 77 -6.035 28.440 -3.765 636 2HA GLY 77 2HA GLY 77 -6.007 27.110 -2.618 637 H PHE 78 H PHE 78 -7.181 30.480 -2.493 638 HA PHE 78 HA PHE 78 -9.571 29.585 -1.108 639 1HB PHE 78 1HB PHE 78 -8.496 32.310 -1.831 640 2HB PHE 78 2HB PHE 78 -10.089 32.086 -1.113 641 HD1 PHE 78 HD1 PHE 78 -10.258 32.287 1.166 642 HD2 PHE 78 HD2 PHE 78 -6.558 31.029 -0.522 643 HE1 PHE 78 HE1 PHE 78 -9.245 32.266 3.409 644 HE2 PHE 78 HE2 PHE 78 -5.540 31.004 1.716 645 HZ PHE 78 HZ PHE 78 -6.883 31.624 3.685 646 H GLN 79 H GLN 79 -11.526 29.316 -1.997 647 HA GLN 79 HA GLN 79 -11.791 29.793 -4.869 648 1HB GLN 79 1HB GLN 79 -13.611 28.263 -3.000 649 2HB GLN 79 2HB GLN 79 -13.723 28.309 -4.755 650 1HG GLN 79 1HG GLN 79 -11.919 26.932 -5.044 651 2HG GLN 79 2HG GLN 79 -11.188 27.383 -3.505 652 1HE2 GLN 79 1HE2 GLN 79 -12.516 23.925 -3.294 653 2HE2 GLN 79 2HE2 GLN 79 -11.405 24.752 -4.327 Start of MODEL 34 1 1H MET 1 1H MET 1 -17.408 1.506 -5.637 2 2H MET 1 2H MET 1 -15.866 2.248 -5.761 3 3H MET 1 3H MET 1 -16.101 0.651 -6.344 4 HA MET 1 HA MET 1 -16.712 1.194 -3.563 5 1HB MET 1 1HB MET 1 -15.308 -1.102 -4.940 6 2HB MET 1 2HB MET 1 -16.014 -1.099 -3.330 7 1HG MET 1 1HG MET 1 -17.781 -0.515 -5.644 8 2HG MET 1 2HG MET 1 -17.252 -2.176 -5.385 9 1HE MET 1 1HE MET 1 -19.018 -3.619 -2.770 10 2HE MET 1 2HE MET 1 -17.423 -3.432 -3.499 11 3HE MET 1 3HE MET 1 -17.751 -2.745 -1.908 12 H ASP 2 H ASP 2 -15.289 2.959 -3.160 13 HA ASP 2 HA ASP 2 -12.460 2.649 -3.625 14 1HB ASP 2 1HB ASP 2 -14.218 4.778 -2.492 15 2HB ASP 2 2HB ASP 2 -12.505 4.806 -2.084 16 H ARG 3 H ARG 3 -11.047 1.734 -2.307 17 HA ARG 3 HA ARG 3 -11.897 0.996 0.393 18 1HB ARG 3 1HB ARG 3 -10.319 -0.278 -1.647 19 2HB ARG 3 2HB ARG 3 -9.365 -0.117 -0.180 20 1HG ARG 3 1HG ARG 3 -10.515 -1.709 0.872 21 2HG ARG 3 2HG ARG 3 -12.067 -1.069 0.328 22 1HD ARG 3 1HD ARG 3 -12.052 -3.088 -0.755 23 2HD ARG 3 2HD ARG 3 -11.304 -2.066 -1.979 24 HE ARG 3 HE ARG 3 -9.249 -3.083 -1.558 25 1HH1 ARG 3 1HH1 ARG 3 -10.780 -5.695 1.066 26 2HH1 ARG 3 2HH1 ARG 3 -11.717 -4.322 0.586 27 1HH2 ARG 3 1HH2 ARG 3 -8.684 -6.014 0.215 28 2HH2 ARG 3 2HH2 ARG 3 -8.021 -4.885 -0.920 29 H VAL 4 H VAL 4 -11.576 2.866 1.538 30 HA VAL 4 HA VAL 4 -9.009 4.213 1.393 31 HB VAL 4 HB VAL 4 -9.986 5.759 3.093 32 1HG1 VAL 4 1HG1 VAL 4 -11.983 6.381 1.397 33 2HG1 VAL 4 2HG1 VAL 4 -10.285 6.735 1.082 34 3HG1 VAL 4 3HG1 VAL 4 -11.033 5.303 0.378 35 1HG2 VAL 4 1HG2 VAL 4 -11.564 3.994 4.000 36 2HG2 VAL 4 2HG2 VAL 4 -12.239 5.606 3.770 37 3HG2 VAL 4 3HG2 VAL 4 -12.585 4.330 2.602 38 H LEU 5 H LEU 5 -7.376 3.824 2.658 39 HA LEU 5 HA LEU 5 -7.660 1.992 4.894 40 1HB LEU 5 1HB LEU 5 -5.073 2.273 4.875 41 2HB LEU 5 2HB LEU 5 -5.864 1.304 3.661 42 HG LEU 5 HG LEU 5 -5.773 3.305 2.151 43 1HD1 LEU 5 1HD1 LEU 5 -5.204 5.238 3.018 44 2HD1 LEU 5 2HD1 LEU 5 -4.739 4.473 4.538 45 3HD1 LEU 5 3HD1 LEU 5 -3.569 4.610 3.226 46 1HD2 LEU 5 1HD2 LEU 5 -3.930 2.450 1.260 47 2HD2 LEU 5 2HD2 LEU 5 -2.968 2.754 2.708 48 3HD2 LEU 5 3HD2 LEU 5 -3.978 1.311 2.603 49 H SER 6 H SER 6 -7.220 2.427 6.986 50 HA SER 6 HA SER 6 -7.287 5.219 7.757 51 1HB SER 6 1HB SER 6 -7.789 4.435 9.963 52 2HB SER 6 2HB SER 6 -8.698 3.415 8.848 53 HG SER 6 HG SER 6 -6.842 1.934 9.028 54 H ARG 7 H ARG 7 -5.958 5.262 10.136 55 HA ARG 7 HA ARG 7 -3.294 5.708 9.347 56 1HB ARG 7 1HB ARG 7 -4.410 6.866 11.235 57 2HB ARG 7 2HB ARG 7 -4.374 5.365 12.151 58 1HG ARG 7 1HG ARG 7 -2.507 6.313 12.998 59 2HG ARG 7 2HG ARG 7 -1.780 5.548 11.583 60 1HD ARG 7 1HD ARG 7 -0.974 7.774 11.621 61 2HD ARG 7 2HD ARG 7 -2.193 7.709 10.351 62 HE ARG 7 HE ARG 7 -3.632 8.992 11.679 63 1HH1 ARG 7 1HH1 ARG 7 -0.830 9.645 14.467 64 2HH1 ARG 7 2HH1 ARG 7 -0.589 8.394 13.297 65 1HH2 ARG 7 1HH2 ARG 7 -2.729 10.909 14.432 66 2HH2 ARG 7 2HH2 ARG 7 -3.942 10.629 13.226 67 H ALA 8 H ALA 8 -4.863 2.998 10.956 68 HA ALA 8 HA ALA 8 -2.453 1.621 11.597 69 1HB ALA 8 1HB ALA 8 -4.018 -0.328 11.951 70 2HB ALA 8 2HB ALA 8 -4.342 1.115 12.911 71 3HB ALA 8 3HB ALA 8 -5.329 0.760 11.492 72 H ASP 9 H ASP 9 -4.433 1.811 8.743 73 HA ASP 9 HA ASP 9 -3.289 -0.596 7.598 74 1HB ASP 9 1HB ASP 9 -5.090 1.473 6.333 75 2HB ASP 9 2HB ASP 9 -4.671 -0.088 5.643 76 H LYS 10 H LYS 10 -3.186 2.914 6.926 77 HA LYS 10 HA LYS 10 -1.394 2.803 4.788 78 1HB LYS 10 1HB LYS 10 -0.726 5.160 5.607 79 2HB LYS 10 2HB LYS 10 -2.384 4.892 5.097 80 1HG LYS 10 1HG LYS 10 -3.099 5.645 7.044 81 2HG LYS 10 2HG LYS 10 -2.247 4.338 7.859 82 1HD LYS 10 1HD LYS 10 -1.239 6.114 8.870 83 2HD LYS 10 2HD LYS 10 -0.173 5.939 7.474 84 1HE LYS 10 1HE LYS 10 -1.413 7.669 6.291 85 2HE LYS 10 2HE LYS 10 -2.526 7.819 7.651 86 1HZ LYS 10 1HZ LYS 10 0.045 8.994 7.284 87 2HZ LYS 10 2HZ LYS 10 -1.152 9.368 8.416 88 3HZ LYS 10 3HZ LYS 10 -0.035 8.144 8.744 89 H GLU 11 H GLU 11 -0.795 3.011 8.272 90 HA GLU 11 HA GLU 11 2.013 3.186 8.131 91 1HB GLU 11 1HB GLU 11 2.007 2.508 10.471 92 2HB GLU 11 2HB GLU 11 0.727 3.675 10.179 93 1HG GLU 11 1HG GLU 11 -0.657 2.267 11.172 94 2HG GLU 11 2HG GLU 11 -0.477 1.210 9.772 95 H ARG 12 H ARG 12 -0.215 0.515 7.915 96 HA ARG 12 HA ARG 12 1.666 -1.585 8.287 97 1HB ARG 12 1HB ARG 12 -0.832 -1.812 8.463 98 2HB ARG 12 2HB ARG 12 -0.918 -1.661 6.714 99 1HG ARG 12 1HG ARG 12 0.474 -3.686 6.501 100 2HG ARG 12 2HG ARG 12 0.453 -3.852 8.257 101 1HD ARG 12 1HD ARG 12 -2.154 -3.699 7.898 102 2HD ARG 12 2HD ARG 12 -1.736 -4.260 6.279 103 HE ARG 12 HE ARG 12 -0.434 -6.022 7.809 104 1HH1 ARG 12 1HH1 ARG 12 -4.346 -6.311 8.625 105 2HH1 ARG 12 2HH1 ARG 12 -3.720 -4.848 7.944 106 1HH2 ARG 12 1HH2 ARG 12 -2.952 -8.071 9.050 107 2HH2 ARG 12 2HH2 ARG 12 -1.260 -7.949 8.695 108 H LEU 13 H LEU 13 0.425 0.166 5.499 109 HA LEU 13 HA LEU 13 1.566 -1.322 3.441 110 1HB LEU 13 1HB LEU 13 -0.039 0.358 2.930 111 2HB LEU 13 2HB LEU 13 0.907 1.602 3.715 112 HG LEU 13 HG LEU 13 2.627 0.809 1.754 113 1HD1 LEU 13 1HD1 LEU 13 1.625 0.032 -0.097 114 2HD1 LEU 13 2HD1 LEU 13 0.366 -0.501 1.015 115 3HD1 LEU 13 3HD1 LEU 13 0.186 1.022 0.143 116 1HD2 LEU 13 1HD2 LEU 13 0.563 2.846 1.079 117 2HD2 LEU 13 2HD2 LEU 13 1.560 3.091 2.516 118 3HD2 LEU 13 3HD2 LEU 13 2.322 2.923 0.933 119 H LEU 14 H LEU 14 2.941 1.025 5.630 120 HA LEU 14 HA LEU 14 5.368 1.448 4.210 121 1HB LEU 14 1HB LEU 14 4.408 1.977 6.984 122 2HB LEU 14 2HB LEU 14 6.121 2.111 6.641 123 HG LEU 14 HG LEU 14 3.878 3.731 5.453 124 1HD1 LEU 14 1HD1 LEU 14 5.825 5.415 6.400 125 2HD1 LEU 14 2HD1 LEU 14 4.339 4.978 7.244 126 3HD1 LEU 14 3HD1 LEU 14 5.835 4.104 7.582 127 1HD2 LEU 14 1HD2 LEU 14 5.469 4.831 4.049 128 2HD2 LEU 14 2HD2 LEU 14 6.799 3.905 4.740 129 3HD2 LEU 14 3HD2 LEU 14 5.591 3.101 3.741 130 H GLU 15 H GLU 15 4.513 -0.615 6.981 131 HA GLU 15 HA GLU 15 6.972 -1.721 7.526 132 1HB GLU 15 1HB GLU 15 4.221 -2.949 7.622 133 2HB GLU 15 2HB GLU 15 5.649 -3.794 8.201 134 1HG GLU 15 1HG GLU 15 5.891 -2.437 10.017 135 2HG GLU 15 2HG GLU 15 5.124 -1.059 9.230 136 H LEU 16 H LEU 16 4.860 -2.319 4.826 137 HA LEU 16 HA LEU 16 6.376 -4.638 3.952 138 1HB LEU 16 1HB LEU 16 3.916 -3.233 3.004 139 2HB LEU 16 2HB LEU 16 4.776 -4.291 1.900 140 HG LEU 16 HG LEU 16 4.511 -6.155 3.493 141 1HD1 LEU 16 1HD1 LEU 16 2.793 -4.240 5.061 142 2HD1 LEU 16 2HD1 LEU 16 3.078 -5.942 5.422 143 3HD1 LEU 16 3HD1 LEU 16 4.403 -4.781 5.537 144 1HD2 LEU 16 1HD2 LEU 16 1.990 -6.316 3.291 145 2HD2 LEU 16 2HD2 LEU 16 2.046 -4.714 2.556 146 3HD2 LEU 16 3HD2 LEU 16 2.883 -6.064 1.792 147 H LEU 17 H LEU 17 6.324 -1.228 3.415 148 HA LEU 17 HA LEU 17 7.812 -1.381 0.931 149 1HB LEU 17 1HB LEU 17 6.498 0.761 2.475 150 2HB LEU 17 2HB LEU 17 7.902 1.228 1.535 151 HG LEU 17 HG LEU 17 6.869 0.550 -0.509 152 1HD1 LEU 17 1HD1 LEU 17 5.621 -1.309 -0.347 153 2HD1 LEU 17 2HD1 LEU 17 5.074 -0.930 1.285 154 3HD1 LEU 17 3HD1 LEU 17 4.300 -0.166 -0.102 155 1HD2 LEU 17 1HD2 LEU 17 4.485 1.808 0.061 156 2HD2 LEU 17 2HD2 LEU 17 5.580 2.421 1.302 157 3HD2 LEU 17 3HD2 LEU 17 5.995 2.594 -0.404 158 H LYS 18 H LYS 18 8.680 -1.795 4.060 159 HA LYS 18 HA LYS 18 10.639 -1.589 5.217 160 1HB LYS 18 1HB LYS 18 11.343 -2.080 2.435 161 2HB LYS 18 2HB LYS 18 12.591 -1.181 3.283 162 1HG LYS 18 1HG LYS 18 13.332 -3.186 3.928 163 2HG LYS 18 2HG LYS 18 11.993 -3.149 5.079 164 1HD LYS 18 1HD LYS 18 10.666 -4.100 2.986 165 2HD LYS 18 2HD LYS 18 12.278 -4.658 2.532 166 1HE LYS 18 1HE LYS 18 12.302 -6.234 4.125 167 2HE LYS 18 2HE LYS 18 11.609 -5.154 5.333 168 1HZ LYS 18 1HZ LYS 18 10.200 -6.811 3.332 169 2HZ LYS 18 2HZ LYS 18 10.019 -6.811 5.014 170 3HZ LYS 18 3HZ LYS 18 9.436 -5.512 4.102 171 H LEU 19 H LEU 19 9.128 0.811 4.162 172 HA LEU 19 HA LEU 19 11.225 2.843 4.365 173 1HB LEU 19 1HB LEU 19 9.851 2.802 2.309 174 2HB LEU 19 2HB LEU 19 8.413 3.040 3.280 175 HG LEU 19 HG LEU 19 10.395 5.105 3.779 176 1HD1 LEU 19 1HD1 LEU 19 9.665 6.094 1.399 177 2HD1 LEU 19 2HD1 LEU 19 11.173 5.218 1.659 178 3HD1 LEU 19 3HD1 LEU 19 9.775 4.384 0.983 179 1HD2 LEU 19 1HD2 LEU 19 8.276 6.407 2.867 180 2HD2 LEU 19 2HD2 LEU 19 7.507 4.852 3.160 181 3HD2 LEU 19 3HD2 LEU 19 8.312 5.698 4.481 182 HA PRO 20 HA PRO 20 9.792 3.203 8.630 183 1HB PRO 20 1HB PRO 20 11.197 5.805 8.226 184 2HB PRO 20 2HB PRO 20 11.305 4.665 9.570 185 1HG PRO 20 1HG PRO 20 13.213 4.793 7.704 186 2HG PRO 20 2HG PRO 20 12.732 3.250 8.432 187 1HD PRO 20 1HD PRO 20 12.190 4.315 5.724 188 2HD PRO 20 2HD PRO 20 12.313 2.634 6.275 189 H ARG 21 H ARG 21 8.630 4.816 9.907 190 HA ARG 21 HA ARG 21 6.564 6.105 8.318 191 1HB ARG 21 1HB ARG 21 6.842 5.319 11.197 192 2HB ARG 21 2HB ARG 21 5.637 6.512 10.731 193 1HG ARG 21 1HG ARG 21 4.630 4.903 9.197 194 2HG ARG 21 2HG ARG 21 5.840 3.705 9.660 195 1HD ARG 21 1HD ARG 21 3.629 4.877 11.317 196 2HD ARG 21 2HD ARG 21 3.928 3.187 10.924 197 HE ARG 21 HE ARG 21 5.798 3.234 12.445 198 1HH1 ARG 21 1HH1 ARG 21 4.114 6.385 14.258 199 2HH1 ARG 21 2HH1 ARG 21 3.644 5.984 12.644 200 1HH2 ARG 21 1HH2 ARG 21 5.680 5.133 15.347 201 2HH2 ARG 21 2HH2 ARG 21 6.408 3.770 14.564 202 H GLN 22 H GLN 22 9.496 6.995 9.521 203 HA GLN 22 HA GLN 22 8.817 9.586 10.570 204 1HB GLN 22 1HB GLN 22 10.901 7.967 10.991 205 2HB GLN 22 2HB GLN 22 11.590 8.959 9.715 206 1HG GLN 22 1HG GLN 22 10.321 10.651 11.628 207 2HG GLN 22 2HG GLN 22 11.396 9.531 12.464 208 1HE2 GLN 22 1HE2 GLN 22 13.605 12.253 11.790 209 2HE2 GLN 22 2HE2 GLN 22 12.387 11.726 12.896 210 H LEU 23 H LEU 23 9.779 8.259 7.511 211 HA LEU 23 HA LEU 23 9.986 10.960 6.393 212 1HB LEU 23 1HB LEU 23 11.257 10.081 4.598 213 2HB LEU 23 2HB LEU 23 11.918 9.421 6.074 214 HG LEU 23 HG LEU 23 11.952 7.700 4.430 215 1HD1 LEU 23 1HD1 LEU 23 10.756 5.948 5.467 216 2HD1 LEU 23 2HD1 LEU 23 11.173 7.091 6.748 217 3HD1 LEU 23 3HD1 LEU 23 9.538 7.061 6.091 218 1HD2 LEU 23 1HD2 LEU 23 10.279 7.155 2.980 219 2HD2 LEU 23 2HD2 LEU 23 9.010 7.773 4.037 220 3HD2 LEU 23 3HD2 LEU 23 10.035 8.892 3.136 221 H TRP 24 H TRP 24 7.589 9.051 6.971 222 HA TRP 24 HA TRP 24 6.307 8.348 4.612 223 1HB TRP 24 1HB TRP 24 5.436 7.578 6.683 224 2HB TRP 24 2HB TRP 24 5.277 9.211 7.310 225 HD1 TRP 24 HD1 TRP 24 3.108 10.602 6.569 226 HE1 TRP 24 HE1 TRP 24 0.831 9.843 5.635 227 HE3 TRP 24 HE3 TRP 24 4.366 5.881 5.093 228 HZ2 TRP 24 HZ2 TRP 24 -0.286 7.531 4.449 229 HZ3 TRP 24 HZ3 TRP 24 2.640 4.453 4.068 230 HH2 TRP 24 HH2 TRP 24 0.365 5.271 3.748 231 H GLY 25 H GLY 25 5.838 9.583 2.916 232 1HA GLY 25 1HA GLY 25 4.111 11.463 2.459 233 2HA GLY 25 2HA GLY 25 5.278 12.438 3.342 234 H ASP 26 H ASP 26 7.523 10.858 2.162 235 HA ASP 26 HA ASP 26 7.870 12.485 -0.185 236 1HB ASP 26 1HB ASP 26 9.686 11.900 1.496 237 2HB ASP 26 2HB ASP 26 9.705 10.292 0.782 238 H PHE 27 H PHE 27 6.308 11.730 -1.646 239 HA PHE 27 HA PHE 27 5.674 9.189 -2.385 240 1HB PHE 27 1HB PHE 27 4.712 11.362 -3.274 241 2HB PHE 27 2HB PHE 27 6.048 11.379 -4.420 242 HD1 PHE 27 HD1 PHE 27 4.133 8.424 -3.256 243 HD2 PHE 27 HD2 PHE 27 4.926 11.115 -6.457 244 HE1 PHE 27 HE1 PHE 27 2.834 6.995 -4.775 245 HE2 PHE 27 HE2 PHE 27 3.627 9.686 -7.981 246 HZ PHE 27 HZ PHE 27 2.579 7.624 -7.139 247 H GLY 28 H GLY 28 8.584 10.942 -3.236 248 1HA GLY 28 1HA GLY 28 9.444 9.184 -5.297 249 2HA GLY 28 2HA GLY 28 10.451 10.331 -4.431 250 H ARG 29 H ARG 29 9.887 9.183 -1.809 251 HA ARG 29 HA ARG 29 11.848 7.063 -1.922 252 1HB ARG 29 1HB ARG 29 10.503 8.532 0.332 253 2HB ARG 29 2HB ARG 29 11.537 7.141 0.620 254 1HG ARG 29 1HG ARG 29 13.342 8.365 -0.640 255 2HG ARG 29 2HG ARG 29 12.298 9.785 -0.583 256 1HD ARG 29 1HD ARG 29 13.201 10.243 1.399 257 2HD ARG 29 2HD ARG 29 12.326 8.848 2.030 258 HE ARG 29 HE ARG 29 14.673 7.878 0.928 259 1HH1 ARG 29 1HH1 ARG 29 15.149 9.705 4.461 260 2HH1 ARG 29 2HH1 ARG 29 13.748 10.043 3.502 261 1HH2 ARG 29 1HH2 ARG 29 16.723 8.222 3.714 262 2HH2 ARG 29 2HH2 ARG 29 16.519 7.432 2.186 263 H MET 30 H MET 30 8.416 7.386 -1.181 264 HA MET 30 HA MET 30 8.143 4.706 -0.221 265 1HB MET 30 1HB MET 30 5.670 5.162 -0.517 266 2HB MET 30 2HB MET 30 6.530 6.237 0.575 267 1HG MET 30 1HG MET 30 6.578 7.969 -1.070 268 2HG MET 30 2HG MET 30 5.906 6.890 -2.290 269 1HE MET 30 1HE MET 30 4.447 7.240 1.584 270 2HE MET 30 2HE MET 30 5.518 8.534 1.045 271 3HE MET 30 3HE MET 30 3.792 8.841 1.242 272 H GLN 31 H GLN 31 7.430 6.308 -3.321 273 HA GLN 31 HA GLN 31 6.347 4.016 -4.569 274 1HB GLN 31 1HB GLN 31 6.058 6.337 -5.414 275 2HB GLN 31 2HB GLN 31 7.752 6.348 -5.883 276 1HG GLN 31 1HG GLN 31 7.201 4.297 -7.292 277 2HG GLN 31 2HG GLN 31 5.510 4.717 -7.022 278 1HE2 GLN 31 1HE2 GLN 31 5.606 7.632 -9.032 279 2HE2 GLN 31 2HE2 GLN 31 4.882 6.934 -7.628 280 H GLN 32 H GLN 32 9.621 5.371 -4.483 281 HA GLN 32 HA GLN 32 10.827 3.537 -6.227 282 1HB GLN 32 1HB GLN 32 11.907 5.623 -5.457 283 2HB GLN 32 2HB GLN 32 12.059 4.939 -3.844 284 1HG GLN 32 1HG GLN 32 14.035 4.139 -4.431 285 2HG GLN 32 2HG GLN 32 13.218 3.065 -5.566 286 1HE2 GLN 32 1HE2 GLN 32 14.470 6.637 -7.118 287 2HE2 GLN 32 2HE2 GLN 32 13.644 6.577 -5.603 288 H ALA 33 H ALA 33 10.028 3.368 -2.824 289 HA ALA 33 HA ALA 33 11.452 0.901 -2.385 290 1HB ALA 33 1HB ALA 33 9.420 1.487 -0.408 291 2HB ALA 33 2HB ALA 33 11.170 1.379 -0.227 292 3HB ALA 33 3HB ALA 33 10.429 2.893 -0.741 293 H TYR 34 H TYR 34 8.220 1.900 -3.244 294 HA TYR 34 HA TYR 34 6.844 -0.475 -2.661 295 1HB TYR 34 1HB TYR 34 5.655 1.591 -3.183 296 2HB TYR 34 2HB TYR 34 6.307 1.581 -4.818 297 HD1 TYR 34 HD1 TYR 34 3.604 0.546 -2.726 298 HD2 TYR 34 HD2 TYR 34 5.695 -0.417 -6.311 299 HE1 TYR 34 HE1 TYR 34 1.689 -0.797 -3.489 300 HE2 TYR 34 HE2 TYR 34 3.777 -1.750 -7.079 301 HH TYR 34 HH TYR 34 1.457 -2.879 -5.201 302 H LYS 35 H LYS 35 8.427 0.621 -5.647 303 HA LYS 35 HA LYS 35 7.841 -1.671 -7.179 304 1HB LYS 35 1HB LYS 35 9.471 0.723 -7.448 305 2HB LYS 35 2HB LYS 35 10.258 -0.681 -8.157 306 1HG LYS 35 1HG LYS 35 7.793 -0.992 -9.166 307 2HG LYS 35 2HG LYS 35 7.834 0.764 -9.003 308 1HD LYS 35 1HD LYS 35 9.955 -0.872 -10.389 309 2HD LYS 35 2HD LYS 35 8.620 -0.066 -11.217 310 1HE LYS 35 1HE LYS 35 9.992 1.756 -9.448 311 2HE LYS 35 2HE LYS 35 11.120 1.007 -10.577 312 1HZ LYS 35 1HZ LYS 35 10.350 2.869 -11.697 313 2HZ LYS 35 2HZ LYS 35 9.393 1.631 -12.335 314 3HZ LYS 35 3HZ LYS 35 8.756 2.673 -11.167 315 H GLN 36 H GLN 36 10.658 -0.789 -5.218 316 HA GLN 36 HA GLN 36 12.243 -3.022 -5.787 317 1HB GLN 36 1HB GLN 36 12.348 -0.783 -4.050 318 2HB GLN 36 2HB GLN 36 12.636 -2.213 -3.066 319 1HG GLN 36 1HG GLN 36 14.712 -1.256 -3.893 320 2HG GLN 36 2HG GLN 36 14.454 -2.879 -4.526 321 1HE2 GLN 36 1HE2 GLN 36 14.240 0.349 -7.031 322 2HE2 GLN 36 2HE2 GLN 36 13.958 0.531 -5.337 323 H GLN 37 H GLN 37 9.551 -2.601 -3.604 324 HA GLN 37 HA GLN 37 10.000 -5.187 -2.347 325 1HB GLN 37 1HB GLN 37 8.030 -2.961 -1.925 326 2HB GLN 37 2HB GLN 37 7.765 -4.546 -1.211 327 1HG GLN 37 1HG GLN 37 10.238 -2.886 -0.783 328 2HG GLN 37 2HG GLN 37 8.850 -2.907 0.302 329 1HE2 GLN 37 1HE2 GLN 37 9.479 -6.446 1.095 330 2HE2 GLN 37 2HE2 GLN 37 8.189 -5.522 0.415 331 H SER 38 H SER 38 8.107 -3.782 -4.883 332 HA SER 38 HA SER 38 6.158 -5.899 -4.966 333 1HB SER 38 1HB SER 38 6.788 -3.546 -6.734 334 2HB SER 38 2HB SER 38 5.640 -4.785 -7.244 335 HG SER 38 HG SER 38 4.631 -4.346 -5.094 336 H LEU 39 H LEU 39 9.161 -5.098 -6.593 337 HA LEU 39 HA LEU 39 8.984 -6.993 -8.670 338 1HB LEU 39 1HB LEU 39 10.990 -5.197 -7.577 339 2HB LEU 39 2HB LEU 39 11.694 -6.710 -8.116 340 HG LEU 39 HG LEU 39 9.922 -4.998 -9.854 341 1HD1 LEU 39 1HD1 LEU 39 11.636 -3.565 -9.901 342 2HD1 LEU 39 2HD1 LEU 39 12.741 -4.711 -9.141 343 3HD1 LEU 39 3HD1 LEU 39 12.446 -4.789 -10.878 344 1HD2 LEU 39 1HD2 LEU 39 11.061 -6.333 -11.651 345 2HD2 LEU 39 2HD2 LEU 39 11.708 -7.365 -10.376 346 3HD2 LEU 39 3HD2 LEU 39 9.966 -7.249 -10.618 347 H LEU 40 H LEU 40 9.778 -7.308 -5.304 348 HA LEU 40 HA LEU 40 10.982 -9.926 -5.711 349 1HB LEU 40 1HB LEU 40 11.642 -9.877 -3.476 350 2HB LEU 40 2HB LEU 40 11.793 -8.212 -4.004 351 HG LEU 40 HG LEU 40 9.289 -8.152 -2.998 352 1HD1 LEU 40 1HD1 LEU 40 10.706 -10.426 -1.712 353 2HD1 LEU 40 2HD1 LEU 40 9.711 -9.373 -0.705 354 3HD1 LEU 40 3HD1 LEU 40 8.993 -10.218 -2.077 355 1HD2 LEU 40 1HD2 LEU 40 11.650 -7.888 -1.172 356 2HD2 LEU 40 2HD2 LEU 40 11.391 -6.766 -2.508 357 3HD2 LEU 40 3HD2 LEU 40 10.181 -6.917 -1.232 358 H LEU 41 H LEU 41 7.944 -8.529 -4.721 359 HA LEU 41 HA LEU 41 6.938 -11.132 -3.851 360 1HB LEU 41 1HB LEU 41 5.949 -8.323 -3.665 361 2HB LEU 41 2HB LEU 41 4.781 -9.629 -3.599 362 HG LEU 41 HG LEU 41 7.160 -9.486 -1.758 363 1HD1 LEU 41 1HD1 LEU 41 5.677 -8.556 -0.073 364 2HD1 LEU 41 2HD1 LEU 41 5.774 -7.479 -1.466 365 3HD1 LEU 41 3HD1 LEU 41 4.356 -8.502 -1.239 366 1HD2 LEU 41 1HD2 LEU 41 5.985 -11.098 -0.455 367 2HD2 LEU 41 2HD2 LEU 41 4.537 -10.935 -1.449 368 3HD2 LEU 41 3HD2 LEU 41 5.990 -11.673 -2.122 369 H HIS 42 H HIS 42 7.655 -10.404 -6.671 370 HA HIS 42 HA HIS 42 5.102 -10.493 -8.051 371 1HB HIS 42 1HB HIS 42 6.904 -9.050 -8.904 372 2HB HIS 42 2HB HIS 42 7.938 -10.460 -9.111 373 HD1 HIS 42 HD1 HIS 42 4.616 -9.148 -10.415 374 HD2 HIS 42 HD2 HIS 42 7.795 -11.555 -11.575 375 HE1 HIS 42 HE1 HIS 42 4.161 -9.750 -12.815 376 HE2 HIS 42 HE2 HIS 42 6.059 -11.274 -13.473 377 HA PRO 43 HA PRO 43 4.637 -14.894 -8.326 378 1HB PRO 43 1HB PRO 43 4.199 -14.232 -11.215 379 2HB PRO 43 2HB PRO 43 3.266 -15.297 -10.155 380 1HG PRO 43 1HG PRO 43 2.408 -12.834 -10.721 381 2HG PRO 43 2HG PRO 43 2.192 -13.534 -9.107 382 1HD PRO 43 1HD PRO 43 4.038 -11.401 -10.004 383 2HD PRO 43 2HD PRO 43 3.357 -11.705 -8.396 384 H ASP 44 H ASP 44 6.239 -13.500 -11.208 385 HA ASP 44 HA ASP 44 7.778 -15.821 -11.726 386 1HB ASP 44 1HB ASP 44 7.769 -13.014 -12.745 387 2HB ASP 44 2HB ASP 44 9.160 -14.032 -13.099 388 H LYS 45 H LYS 45 8.129 -13.448 -9.347 389 HA LYS 45 HA LYS 45 10.992 -14.067 -9.051 390 1HB LYS 45 1HB LYS 45 9.593 -11.723 -7.778 391 2HB LYS 45 2HB LYS 45 11.319 -11.973 -7.992 392 1HG LYS 45 1HG LYS 45 9.338 -11.478 -10.200 393 2HG LYS 45 2HG LYS 45 10.445 -10.287 -9.526 394 1HD LYS 45 1HD LYS 45 12.346 -11.501 -10.314 395 2HD LYS 45 2HD LYS 45 11.336 -12.864 -10.802 396 1HE LYS 45 1HE LYS 45 10.358 -10.490 -12.052 397 2HE LYS 45 2HE LYS 45 12.095 -10.605 -12.327 398 1HZ LYS 45 1HZ LYS 45 11.540 -11.973 -13.976 399 2HZ LYS 45 2HZ LYS 45 11.226 -13.129 -12.782 400 3HZ LYS 45 3HZ LYS 45 9.962 -12.193 -13.405 401 H GLY 46 H GLY 46 8.769 -15.723 -8.144 402 1HA GLY 46 1HA GLY 46 8.156 -16.927 -6.288 403 2HA GLY 46 2HA GLY 46 9.701 -16.434 -5.611 404 H GLY 47 H GLY 47 6.505 -14.997 -6.291 405 1HA GLY 47 1HA GLY 47 6.596 -13.845 -3.573 406 2HA GLY 47 2HA GLY 47 6.057 -12.901 -4.954 407 H SER 48 H SER 48 4.469 -13.243 -2.706 408 HA SER 48 HA SER 48 2.527 -15.320 -3.327 409 1HB SER 48 1HB SER 48 3.060 -13.523 -1.019 410 2HB SER 48 2HB SER 48 1.392 -14.042 -1.264 411 HG SER 48 HG SER 48 3.458 -15.428 -0.258 412 H HIS 49 H HIS 49 0.303 -14.891 -3.686 413 HA HIS 49 HA HIS 49 -0.148 -12.587 -5.359 414 1HB HIS 49 1HB HIS 49 -1.303 -15.189 -5.034 415 2HB HIS 49 2HB HIS 49 -2.579 -13.985 -4.898 416 HD1 HIS 49 HD1 HIS 49 -0.648 -15.832 -7.338 417 HD2 HIS 49 HD2 HIS 49 -2.638 -12.185 -7.235 418 HE1 HIS 49 HE1 HIS 49 -0.974 -15.176 -9.742 419 HE2 HIS 49 HE2 HIS 49 -2.128 -12.937 -9.656 420 H ALA 50 H ALA 50 -1.408 -13.824 -2.287 421 HA ALA 50 HA ALA 50 -3.304 -11.820 -1.813 422 1HB ALA 50 1HB ALA 50 -2.622 -12.496 0.692 423 2HB ALA 50 2HB ALA 50 -3.642 -13.499 -0.340 424 3HB ALA 50 3HB ALA 50 -1.921 -13.857 -0.185 425 H LEU 51 H LEU 51 0.153 -11.831 -1.462 426 HA LEU 51 HA LEU 51 0.262 -9.521 0.249 427 1HB LEU 51 1HB LEU 51 2.188 -11.338 -1.051 428 2HB LEU 51 2HB LEU 51 2.751 -9.693 -0.825 429 HG LEU 51 HG LEU 51 1.674 -10.328 1.640 430 1HD1 LEU 51 1HD1 LEU 51 2.024 -12.480 2.195 431 2HD1 LEU 51 2HD1 LEU 51 1.833 -12.747 0.462 432 3HD1 LEU 51 3HD1 LEU 51 3.447 -12.628 1.163 433 1HD2 LEU 51 1HD2 LEU 51 4.548 -10.885 1.186 434 2HD2 LEU 51 2HD2 LEU 51 3.953 -9.286 0.734 435 3HD2 LEU 51 3HD2 LEU 51 3.764 -9.862 2.391 436 H MET 52 H MET 52 0.961 -10.149 -3.183 437 HA MET 52 HA MET 52 1.694 -7.557 -3.899 438 1HB MET 52 1HB MET 52 1.369 -9.991 -5.205 439 2HB MET 52 2HB MET 52 0.220 -8.924 -6.003 440 1HG MET 52 1HG MET 52 3.082 -8.145 -5.571 441 2HG MET 52 2HG MET 52 2.560 -9.073 -6.975 442 1HE MET 52 1HE MET 52 1.730 -5.723 -4.950 443 2HE MET 52 2HE MET 52 3.354 -5.756 -5.639 444 3HE MET 52 3HE MET 52 2.155 -4.620 -6.258 445 H GLN 53 H GLN 53 -1.511 -9.093 -3.927 446 HA GLN 53 HA GLN 53 -2.848 -6.823 -4.986 447 1HB GLN 53 1HB GLN 53 -4.887 -7.985 -4.509 448 2HB GLN 53 2HB GLN 53 -3.717 -9.159 -5.089 449 1HG GLN 53 1HG GLN 53 -3.384 -10.041 -2.926 450 2HG GLN 53 2HG GLN 53 -4.239 -8.697 -2.170 451 1HE2 GLN 53 1HE2 GLN 53 -6.575 -11.483 -2.123 452 2HE2 GLN 53 2HE2 GLN 53 -5.085 -11.026 -1.378 453 H GLU 54 H GLU 54 -2.145 -7.915 -1.715 454 HA GLU 54 HA GLU 54 -3.847 -6.124 -0.355 455 1HB GLU 54 1HB GLU 54 -1.803 -8.022 0.333 456 2HB GLU 54 2HB GLU 54 -1.533 -6.537 1.229 457 1HG GLU 54 1HG GLU 54 -4.246 -7.787 1.137 458 2HG GLU 54 2HG GLU 54 -3.016 -8.372 2.257 459 H LEU 55 H LEU 55 -0.442 -5.904 -1.296 460 HA LEU 55 HA LEU 55 -0.006 -3.329 -0.217 461 1HB LEU 55 1HB LEU 55 1.844 -4.783 -0.614 462 2HB LEU 55 2HB LEU 55 1.424 -4.955 -2.306 463 HG LEU 55 HG LEU 55 1.870 -2.394 -2.418 464 1HD1 LEU 55 1HD1 LEU 55 2.969 -1.379 -0.742 465 2HD1 LEU 55 2HD1 LEU 55 2.216 -2.631 0.244 466 3HD1 LEU 55 3HD1 LEU 55 3.877 -2.829 -0.314 467 1HD2 LEU 55 1HD2 LEU 55 4.420 -3.789 -2.024 468 2HD2 LEU 55 2HD2 LEU 55 3.279 -4.603 -3.094 469 3HD2 LEU 55 3HD2 LEU 55 3.788 -2.951 -3.442 470 H ASN 56 H ASN 56 -0.845 -4.485 -3.462 471 HA ASN 56 HA ASN 56 -0.711 -2.014 -4.783 472 1HB ASN 56 1HB ASN 56 -1.565 -4.681 -5.397 473 2HB ASN 56 2HB ASN 56 -2.783 -3.550 -5.973 474 1HD2 ASN 56 1HD2 ASN 56 0.200 -4.193 -8.319 475 2HD2 ASN 56 2HD2 ASN 56 -0.573 -5.273 -7.214 476 H SER 57 H SER 57 -3.222 -3.484 -2.836 477 HA SER 57 HA SER 57 -5.230 -1.556 -3.554 478 1HB SER 57 1HB SER 57 -5.289 -4.057 -2.388 479 2HB SER 57 2HB SER 57 -5.650 -2.990 -1.033 480 HG SER 57 HG SER 57 -6.976 -2.648 -3.492 481 H LEU 58 H LEU 58 -2.937 -2.006 -0.929 482 HA LEU 58 HA LEU 58 -3.965 0.170 0.636 483 1HB LEU 58 1HB LEU 58 -1.632 -1.675 0.808 484 2HB LEU 58 2HB LEU 58 -1.580 -0.183 1.727 485 HG LEU 58 HG LEU 58 -4.085 -1.648 2.071 486 1HD1 LEU 58 1HD1 LEU 58 -3.055 -3.676 2.037 487 2HD1 LEU 58 2HD1 LEU 58 -1.486 -3.013 2.494 488 3HD1 LEU 58 3HD1 LEU 58 -2.743 -3.221 3.714 489 1HD2 LEU 58 1HD2 LEU 58 -3.994 -0.254 3.806 490 2HD2 LEU 58 2HD2 LEU 58 -2.794 -1.336 4.509 491 3HD2 LEU 58 3HD2 LEU 58 -2.277 0.055 3.557 492 H TRP 59 H TRP 59 -1.660 -0.198 -1.927 493 HA TRP 59 HA TRP 59 -0.486 2.417 -1.445 494 1HB TRP 59 1HB TRP 59 1.068 0.727 -2.118 495 2HB TRP 59 2HB TRP 59 0.047 0.235 -3.459 496 HD1 TRP 59 HD1 TRP 59 0.531 1.290 -5.737 497 HE1 TRP 59 HE1 TRP 59 2.111 3.126 -6.600 498 HE3 TRP 59 HE3 TRP 59 2.164 3.142 -1.252 499 HZ2 TRP 59 HZ2 TRP 59 3.826 5.089 -5.529 500 HZ3 TRP 59 HZ3 TRP 59 3.783 4.992 -1.268 501 HH2 TRP 59 HH2 TRP 59 4.592 5.946 -3.359 502 H GLY 60 H GLY 60 -2.905 0.868 -3.393 503 1HA GLY 60 1HA GLY 60 -3.051 2.780 -5.481 504 2HA GLY 60 2HA GLY 60 -4.310 1.646 -5.040 505 H THR 61 H THR 61 -5.505 2.271 -2.915 506 HA THR 61 HA THR 61 -6.862 4.664 -3.280 507 HB THR 61 HB THR 61 -7.134 2.593 -1.555 508 HG1 THR 61 HG1 THR 61 -8.781 3.929 -0.557 509 1HG2 THR 61 1HG2 THR 61 -5.513 3.228 0.057 510 2HG2 THR 61 2HG2 THR 61 -6.198 4.852 0.167 511 3HG2 THR 61 3HG2 THR 61 -7.125 3.463 0.732 512 H PHE 62 H PHE 62 -4.207 3.855 -1.182 513 HA PHE 62 HA PHE 62 -3.604 6.189 0.114 514 1HB PHE 62 1HB PHE 62 -2.338 4.131 0.424 515 2HB PHE 62 2HB PHE 62 -1.744 4.216 -1.233 516 HD1 PHE 62 HD1 PHE 62 -1.949 7.140 0.982 517 HD2 PHE 62 HD2 PHE 62 0.561 4.115 -0.667 518 HE1 PHE 62 HE1 PHE 62 0.036 8.365 1.763 519 HE2 PHE 62 HE2 PHE 62 2.544 5.339 0.118 520 HZ PHE 62 HZ PHE 62 2.281 7.459 1.328 521 H LYS 63 H LYS 63 -2.502 5.170 -3.064 522 HA LYS 63 HA LYS 63 -1.093 7.431 -3.836 523 1HB LYS 63 1HB LYS 63 -1.938 4.980 -4.961 524 2HB LYS 63 2HB LYS 63 -2.452 6.224 -6.070 525 1HG LYS 63 1HG LYS 63 -0.158 7.072 -6.184 526 2HG LYS 63 2HG LYS 63 0.351 5.817 -5.055 527 1HD LYS 63 1HD LYS 63 -0.651 5.496 -7.874 528 2HD LYS 63 2HD LYS 63 0.918 5.036 -7.216 529 1HE LYS 63 1HE LYS 63 0.042 2.983 -7.066 530 2HE LYS 63 2HE LYS 63 -0.800 3.595 -5.642 531 1HZ LYS 63 1HZ LYS 63 -2.720 4.055 -6.959 532 2HZ LYS 63 2HZ LYS 63 -1.910 3.690 -8.398 533 3HZ LYS 63 3HZ LYS 63 -2.251 2.462 -7.287 534 H THR 64 H THR 64 -4.556 6.689 -4.184 535 HA THR 64 HA THR 64 -5.319 8.818 -5.787 536 HB THR 64 HB THR 64 -6.826 7.644 -3.438 537 HG1 THR 64 HG1 THR 64 -7.821 6.400 -5.082 538 1HG2 THR 64 1HG2 THR 64 -8.741 8.654 -4.089 539 2HG2 THR 64 2HG2 THR 64 -7.596 9.903 -4.579 540 3HG2 THR 64 3HG2 THR 64 -8.239 8.776 -5.775 541 H GLU 65 H GLU 65 -4.532 8.691 -2.389 542 HA GLU 65 HA GLU 65 -5.191 11.483 -1.949 543 1HB GLU 65 1HB GLU 65 -3.632 9.782 -0.024 544 2HB GLU 65 2HB GLU 65 -4.732 11.109 0.318 545 1HG GLU 65 1HG GLU 65 -5.914 8.737 -0.975 546 2HG GLU 65 2HG GLU 65 -5.351 8.533 0.682 547 H VAL 66 H VAL 66 -2.426 9.437 -2.564 548 HA VAL 66 HA VAL 66 -0.320 10.993 -1.807 549 HB VAL 66 HB VAL 66 -0.573 9.206 -4.207 550 1HG1 VAL 66 1HG1 VAL 66 1.322 11.160 -4.082 551 2HG1 VAL 66 2HG1 VAL 66 2.133 9.833 -3.260 552 3HG1 VAL 66 3HG1 VAL 66 1.529 9.615 -4.901 553 1HG2 VAL 66 1HG2 VAL 66 -0.717 8.172 -1.983 554 2HG2 VAL 66 2HG2 VAL 66 0.732 7.669 -2.852 555 3HG2 VAL 66 3HG2 VAL 66 0.847 8.871 -1.568 556 H TYR 67 H TYR 67 -2.275 11.287 -4.725 557 HA TYR 67 HA TYR 67 -0.738 13.289 -5.982 558 1HB TYR 67 1HB TYR 67 -3.120 11.865 -6.521 559 2HB TYR 67 2HB TYR 67 -3.536 13.574 -6.601 560 HD1 TYR 67 HD1 TYR 67 -3.479 14.452 -8.722 561 HD2 TYR 67 HD2 TYR 67 -0.662 11.437 -7.693 562 HE1 TYR 67 HE1 TYR 67 -2.531 14.577 -10.986 563 HE2 TYR 67 HE2 TYR 67 0.298 11.552 -9.955 564 HH TYR 67 HH TYR 67 -0.219 14.037 -12.047 565 H ASN 68 H ASN 68 -3.190 13.375 -3.503 566 HA ASN 68 HA ASN 68 -3.390 16.274 -3.607 567 1HB ASN 68 1HB ASN 68 -4.857 14.096 -2.176 568 2HB ASN 68 2HB ASN 68 -4.907 15.728 -1.516 569 1HD2 ASN 68 1HD2 ASN 68 -7.057 14.724 -4.772 570 2HD2 ASN 68 2HD2 ASN 68 -6.003 13.613 -3.975 571 H LEU 69 H LEU 69 -1.674 13.838 -1.848 572 HA LEU 69 HA LEU 69 -1.232 15.165 0.572 573 1HB LEU 69 1HB LEU 69 0.311 13.544 1.048 574 2HB LEU 69 2HB LEU 69 -0.602 12.749 -0.218 575 HG LEU 69 HG LEU 69 1.237 13.677 -1.805 576 1HD1 LEU 69 1HD1 LEU 69 2.338 14.255 0.877 577 2HD1 LEU 69 2HD1 LEU 69 3.442 13.547 -0.304 578 3HD1 LEU 69 3HD1 LEU 69 2.617 15.064 -0.666 579 1HD2 LEU 69 1HD2 LEU 69 2.690 11.679 -0.438 580 2HD2 LEU 69 2HD2 LEU 69 0.977 11.292 -0.261 581 3HD2 LEU 69 3HD2 LEU 69 1.673 11.503 -1.868 582 H ARG 70 H ARG 70 0.431 15.421 -2.522 583 HA ARG 70 HA ARG 70 2.450 17.167 -1.498 584 1HB ARG 70 1HB ARG 70 1.730 16.634 -4.377 585 2HB ARG 70 2HB ARG 70 3.226 17.349 -3.791 586 1HG ARG 70 1HG ARG 70 2.650 14.738 -2.623 587 2HG ARG 70 2HG ARG 70 2.840 14.705 -4.377 588 1HD ARG 70 1HD ARG 70 4.849 16.348 -3.083 589 2HD ARG 70 2HD ARG 70 4.868 14.688 -2.491 590 HE ARG 70 HE ARG 70 4.843 14.234 -5.083 591 1HH1 ARG 70 1HH1 ARG 70 7.987 16.633 -4.447 592 2HH1 ARG 70 2HH1 ARG 70 6.681 16.621 -3.313 593 1HH2 ARG 70 1HH2 ARG 70 7.924 15.287 -6.291 594 2HH2 ARG 70 2HH2 ARG 70 6.567 14.248 -6.567 595 H MET 71 H MET 71 -0.667 17.689 -1.923 596 HA MET 71 HA MET 71 -0.315 20.482 -2.777 597 1HB MET 71 1HB MET 71 -2.640 18.594 -3.063 598 2HB MET 71 2HB MET 71 -2.854 20.335 -3.179 599 1HG MET 71 1HG MET 71 -1.713 20.488 -5.158 600 2HG MET 71 2HG MET 71 -0.767 19.033 -4.849 601 1HE MET 71 1HE MET 71 -2.842 18.315 -8.153 602 2HE MET 71 2HE MET 71 -2.436 19.950 -7.630 603 3HE MET 71 3HE MET 71 -1.244 18.657 -7.492 604 H ASN 72 H ASN 72 -0.826 18.577 -0.089 605 HA ASN 72 HA ASN 72 -2.774 20.072 1.320 606 1HB ASN 72 1HB ASN 72 -2.544 18.266 2.607 607 2HB ASN 72 2HB ASN 72 -1.009 17.856 1.865 608 1HD2 ASN 72 1HD2 ASN 72 0.864 18.761 4.607 609 2HD2 ASN 72 2HD2 ASN 72 0.758 17.998 3.059 610 H LEU 73 H LEU 73 -2.477 21.467 3.115 611 HA LEU 73 HA LEU 73 0.146 22.614 3.370 612 1HB LEU 73 1HB LEU 73 -0.678 24.933 3.191 613 2HB LEU 73 2HB LEU 73 -0.832 24.039 1.691 614 HG LEU 73 HG LEU 73 -3.197 24.168 3.508 615 1HD1 LEU 73 1HD1 LEU 73 -3.380 26.300 1.655 616 2HD1 LEU 73 2HD1 LEU 73 -3.399 26.370 3.417 617 3HD1 LEU 73 3HD1 LEU 73 -1.870 26.491 2.548 618 1HD2 LEU 73 1HD2 LEU 73 -4.406 23.750 1.596 619 2HD2 LEU 73 2HD2 LEU 73 -3.189 24.469 0.539 620 3HD2 LEU 73 3HD2 LEU 73 -2.909 22.881 1.255 621 H GLY 74 H GLY 74 0.294 21.818 5.446 622 1HA GLY 74 1HA GLY 74 -1.393 23.211 7.410 623 2HA GLY 74 2HA GLY 74 -1.245 21.463 7.502 624 H GLY 75 H GLY 75 -0.438 23.687 9.351 625 1HA GLY 75 1HA GLY 75 1.318 23.152 10.989 626 2HA GLY 75 2HA GLY 75 2.394 22.889 9.626 627 H THR 76 H THR 76 1.824 25.107 8.066 628 HA THR 76 HA THR 76 3.408 27.081 9.322 629 HB THR 76 HB THR 76 3.052 28.400 7.328 630 HG1 THR 76 HG1 THR 76 0.851 26.683 6.970 631 1HG2 THR 76 1HG2 THR 76 3.210 25.473 6.663 632 2HG2 THR 76 2HG2 THR 76 3.550 26.784 5.534 633 3HG2 THR 76 3HG2 THR 76 4.555 26.569 6.968 634 H GLY 77 H GLY 77 2.874 29.196 9.971 635 1HA GLY 77 1HA GLY 77 0.685 30.667 9.992 636 2HA GLY 77 2HA GLY 77 0.181 29.396 11.094 637 H PHE 78 H PHE 78 3.503 30.477 11.008 638 HA PHE 78 HA PHE 78 3.437 31.144 13.783 639 1HB PHE 78 1HB PHE 78 5.423 30.571 11.848 640 2HB PHE 78 2HB PHE 78 5.781 32.176 12.470 641 HD1 PHE 78 HD1 PHE 78 5.132 32.077 15.252 642 HD2 PHE 78 HD2 PHE 78 6.830 29.042 12.804 643 HE1 PHE 78 HE1 PHE 78 6.181 31.076 17.234 644 HE2 PHE 78 HE2 PHE 78 7.883 28.031 14.785 645 HZ PHE 78 HZ PHE 78 7.559 29.049 17.004 646 H GLN 79 H GLN 79 4.132 33.243 14.652 647 HA GLN 79 HA GLN 79 2.654 35.386 13.443 648 1HB GLN 79 1HB GLN 79 3.270 34.722 16.019 649 2HB GLN 79 2HB GLN 79 4.415 36.022 15.716 650 1HG GLN 79 1HG GLN 79 2.502 37.433 14.968 651 2HG GLN 79 2HG GLN 79 1.420 36.144 15.499 652 1HE2 GLN 79 1HE2 GLN 79 1.351 38.235 18.370 653 2HE2 GLN 79 2HE2 GLN 79 0.619 37.985 16.825 Start of MODEL 35 1 1H MET 1 1H MET 1 -12.891 9.143 -3.034 2 2H MET 1 2H MET 1 -11.549 10.203 -2.896 3 3H MET 1 3H MET 1 -11.742 8.911 -1.783 4 HA MET 1 HA MET 1 -12.448 11.401 -1.311 5 1HB MET 1 1HB MET 1 -14.102 11.303 -3.146 6 2HB MET 1 2HB MET 1 -14.909 9.967 -2.336 7 1HG MET 1 1HG MET 1 -15.054 11.661 -0.348 8 2HG MET 1 2HG MET 1 -14.843 12.855 -1.627 9 1HE MET 1 1HE MET 1 -17.048 9.944 -0.241 10 2HE MET 1 2HE MET 1 -17.381 11.501 0.518 11 3HE MET 1 3HE MET 1 -18.618 10.717 -0.466 12 H ASP 2 H ASP 2 -14.540 8.526 -1.023 13 HA ASP 2 HA ASP 2 -14.354 8.735 1.883 14 1HB ASP 2 1HB ASP 2 -16.168 6.969 1.818 15 2HB ASP 2 2HB ASP 2 -16.595 8.523 1.109 16 H ARG 3 H ARG 3 -12.917 7.006 -0.641 17 HA ARG 3 HA ARG 3 -12.390 4.620 0.931 18 1HB ARG 3 1HB ARG 3 -11.617 5.467 -1.859 19 2HB ARG 3 2HB ARG 3 -11.013 3.996 -1.113 20 1HG ARG 3 1HG ARG 3 -12.963 2.903 -1.376 21 2HG ARG 3 2HG ARG 3 -13.937 4.343 -1.067 22 1HD ARG 3 1HD ARG 3 -14.169 3.549 -3.381 23 2HD ARG 3 2HD ARG 3 -13.473 5.167 -3.296 24 HE ARG 3 HE ARG 3 -11.651 2.897 -3.527 25 1HH1 ARG 3 1HH1 ARG 3 -12.084 5.691 -6.363 26 2HH1 ARG 3 2HH1 ARG 3 -13.203 5.639 -5.046 27 1HH2 ARG 3 1HH2 ARG 3 -10.382 4.179 -6.491 28 2HH2 ARG 3 2HH2 ARG 3 -10.195 2.969 -5.264 29 H VAL 4 H VAL 4 -11.166 5.425 2.632 30 HA VAL 4 HA VAL 4 -8.398 6.037 1.906 31 HB VAL 4 HB VAL 4 -8.271 7.740 3.722 32 1HG1 VAL 4 1HG1 VAL 4 -9.828 8.078 1.219 33 2HG1 VAL 4 2HG1 VAL 4 -9.818 9.420 2.363 34 3HG1 VAL 4 3HG1 VAL 4 -8.298 8.806 1.711 35 1HG2 VAL 4 1HG2 VAL 4 -10.319 6.968 4.913 36 2HG2 VAL 4 2HG2 VAL 4 -10.256 8.708 4.639 37 3HG2 VAL 4 3HG2 VAL 4 -11.281 7.692 3.627 38 H LEU 5 H LEU 5 -7.049 4.768 2.919 39 HA LEU 5 HA LEU 5 -7.891 2.979 4.971 40 1HB LEU 5 1HB LEU 5 -5.340 2.481 4.997 41 2HB LEU 5 2HB LEU 5 -6.342 1.964 3.670 42 HG LEU 5 HG LEU 5 -5.548 3.796 2.315 43 1HD1 LEU 5 1HD1 LEU 5 -4.916 5.630 3.342 44 2HD1 LEU 5 2HD1 LEU 5 -4.601 4.775 4.850 45 3HD1 LEU 5 3HD1 LEU 5 -3.368 4.828 3.593 46 1HD2 LEU 5 1HD2 LEU 5 -3.872 2.515 1.674 47 2HD2 LEU 5 2HD2 LEU 5 -2.935 2.939 3.109 48 3HD2 LEU 5 3HD2 LEU 5 -4.072 1.592 3.163 49 H SER 6 H SER 6 -7.178 2.785 7.077 50 HA SER 6 HA SER 6 -6.722 5.350 8.362 51 1HB SER 6 1HB SER 6 -7.185 4.108 10.456 52 2HB SER 6 2HB SER 6 -8.466 3.900 9.261 53 HG SER 6 HG SER 6 -6.337 2.063 9.615 54 H ARG 7 H ARG 7 -5.322 5.111 10.480 55 HA ARG 7 HA ARG 7 -2.669 5.058 9.755 56 1HB ARG 7 1HB ARG 7 -3.619 6.034 11.857 57 2HB ARG 7 2HB ARG 7 -3.715 4.404 12.511 58 1HG ARG 7 1HG ARG 7 -1.349 4.164 12.483 59 2HG ARG 7 2HG ARG 7 -1.152 5.656 11.562 60 1HD ARG 7 1HD ARG 7 -2.364 5.542 14.313 61 2HD ARG 7 2HD ARG 7 -0.652 5.835 14.018 62 HE ARG 7 HE ARG 7 -1.626 7.768 12.570 63 1HH1 ARG 7 1HH1 ARG 7 -3.455 8.223 16.105 64 2HH1 ARG 7 2HH1 ARG 7 -2.817 6.674 15.671 65 1HH2 ARG 7 1HH2 ARG 7 -3.252 9.996 14.679 66 2HH2 ARG 7 2HH2 ARG 7 -2.464 9.799 13.149 67 H ALA 8 H ALA 8 -4.679 2.416 10.887 68 HA ALA 8 HA ALA 8 -2.566 0.564 11.292 69 1HB ALA 8 1HB ALA 8 -4.460 -0.057 12.425 70 2HB ALA 8 2HB ALA 8 -5.532 0.371 11.093 71 3HB ALA 8 3HB ALA 8 -4.565 -1.102 11.008 72 H ASP 9 H ASP 9 -4.771 1.156 8.549 73 HA ASP 9 HA ASP 9 -3.674 -0.973 6.995 74 1HB ASP 9 1HB ASP 9 -5.312 1.385 6.077 75 2HB ASP 9 2HB ASP 9 -5.066 -0.111 5.198 76 H LYS 10 H LYS 10 -3.207 2.559 7.036 77 HA LYS 10 HA LYS 10 -1.424 2.587 4.822 78 1HB LYS 10 1HB LYS 10 -0.906 4.857 5.451 79 2HB LYS 10 2HB LYS 10 -2.635 4.596 5.607 80 1HG LYS 10 1HG LYS 10 -2.621 4.902 7.838 81 2HG LYS 10 2HG LYS 10 -1.032 4.164 8.042 82 1HD LYS 10 1HD LYS 10 -0.176 6.285 6.809 83 2HD LYS 10 2HD LYS 10 -1.732 6.970 7.281 84 1HE LYS 10 1HE LYS 10 -0.367 7.592 9.039 85 2HE LYS 10 2HE LYS 10 -1.108 6.114 9.646 86 1HZ LYS 10 1HZ LYS 10 1.295 5.571 8.210 87 2HZ LYS 10 2HZ LYS 10 1.574 6.647 9.486 88 3HZ LYS 10 3HZ LYS 10 0.866 5.141 9.790 89 H GLU 11 H GLU 11 -1.014 2.130 8.277 90 HA GLU 11 HA GLU 11 1.806 2.396 8.337 91 1HB GLU 11 1HB GLU 11 0.421 2.468 10.373 92 2HB GLU 11 2HB GLU 11 0.004 0.774 10.150 93 1HG GLU 11 1HG GLU 11 1.717 1.024 11.837 94 2HG GLU 11 2HG GLU 11 2.350 0.162 10.436 95 H ARG 12 H ARG 12 -0.387 -0.235 7.621 96 HA ARG 12 HA ARG 12 1.527 -2.323 7.617 97 1HB ARG 12 1HB ARG 12 -0.826 -2.856 7.746 98 2HB ARG 12 2HB ARG 12 -1.144 -2.035 6.226 99 1HG ARG 12 1HG ARG 12 -1.129 -4.515 6.074 100 2HG ARG 12 2HG ARG 12 0.008 -3.714 4.988 101 1HD ARG 12 1HD ARG 12 1.856 -4.321 6.294 102 2HD ARG 12 2HD ARG 12 0.851 -4.708 7.690 103 HE ARG 12 HE ARG 12 0.241 -6.386 5.478 104 1HH1 ARG 12 1HH1 ARG 12 3.060 -7.550 8.075 105 2HH1 ARG 12 2HH1 ARG 12 2.579 -5.888 8.022 106 1HH2 ARG 12 1HH2 ARG 12 2.097 -9.074 6.669 107 2HH2 ARG 12 2HH2 ARG 12 0.878 -8.573 5.545 108 H LEU 13 H LEU 13 0.448 0.024 5.252 109 HA LEU 13 HA LEU 13 1.617 -1.102 2.955 110 1HB LEU 13 1HB LEU 13 -0.009 0.628 2.724 111 2HB LEU 13 2HB LEU 13 0.922 1.726 3.721 112 HG LEU 13 HG LEU 13 2.686 1.331 1.718 113 1HD1 LEU 13 1HD1 LEU 13 0.129 1.491 0.199 114 2HD1 LEU 13 2HD1 LEU 13 1.731 0.984 -0.337 115 3HD1 LEU 13 3HD1 LEU 13 0.754 -0.090 0.664 116 1HD2 LEU 13 1HD2 LEU 13 1.356 3.411 2.735 117 2HD2 LEU 13 2HD2 LEU 13 2.317 3.520 1.259 118 3HD2 LEU 13 3HD2 LEU 13 0.565 3.318 1.158 119 H LEU 14 H LEU 14 2.891 0.822 5.576 120 HA LEU 14 HA LEU 14 5.381 1.443 4.302 121 1HB LEU 14 1HB LEU 14 4.232 1.746 7.031 122 2HB LEU 14 2HB LEU 14 5.977 1.813 6.866 123 HG LEU 14 HG LEU 14 4.004 3.614 5.466 124 1HD1 LEU 14 1HD1 LEU 14 5.483 5.255 6.959 125 2HD1 LEU 14 2HD1 LEU 14 3.987 4.523 7.535 126 3HD1 LEU 14 3HD1 LEU 14 5.540 3.819 7.979 127 1HD2 LEU 14 1HD2 LEU 14 6.753 4.489 5.485 128 2HD2 LEU 14 2HD2 LEU 14 6.591 2.925 4.687 129 3HD2 LEU 14 3HD2 LEU 14 5.643 4.303 4.129 130 H GLU 15 H GLU 15 4.252 -1.034 6.552 131 HA GLU 15 HA GLU 15 6.665 -2.174 7.292 132 1HB GLU 15 1HB GLU 15 3.927 -2.829 7.512 133 2HB GLU 15 2HB GLU 15 4.723 -4.247 6.846 134 1HG GLU 15 1HG GLU 15 5.146 -4.758 8.971 135 2HG GLU 15 2HG GLU 15 6.431 -3.559 8.842 136 H LEU 16 H LEU 16 4.733 -2.740 4.390 137 HA LEU 16 HA LEU 16 6.514 -4.765 3.385 138 1HB LEU 16 1HB LEU 16 4.144 -3.315 2.238 139 2HB LEU 16 2HB LEU 16 5.123 -4.389 1.258 140 HG LEU 16 HG LEU 16 4.629 -6.198 2.974 141 1HD1 LEU 16 1HD1 LEU 16 2.160 -5.307 3.902 142 2HD1 LEU 16 2HD1 LEU 16 3.625 -5.562 4.850 143 3HD1 LEU 16 3HD1 LEU 16 3.269 -3.969 4.193 144 1HD2 LEU 16 1HD2 LEU 16 1.999 -5.877 2.045 145 2HD2 LEU 16 2HD2 LEU 16 3.045 -5.152 0.823 146 3HD2 LEU 16 3HD2 LEU 16 3.295 -6.826 1.316 147 H LEU 17 H LEU 17 6.455 -1.366 3.396 148 HA LEU 17 HA LEU 17 8.030 -1.073 0.976 149 1HB LEU 17 1HB LEU 17 6.619 0.744 2.832 150 2HB LEU 17 2HB LEU 17 8.041 1.390 2.040 151 HG LEU 17 HG LEU 17 5.841 1.875 0.914 152 1HD1 LEU 17 1HD1 LEU 17 7.910 0.377 -0.684 153 2HD1 LEU 17 2HD1 LEU 17 6.717 1.503 -1.330 154 3HD1 LEU 17 3HD1 LEU 17 7.976 2.083 -0.240 155 1HD2 LEU 17 1HD2 LEU 17 5.631 -0.515 -0.594 156 2HD2 LEU 17 2HD2 LEU 17 5.571 -0.948 1.114 157 3HD2 LEU 17 3HD2 LEU 17 4.431 0.227 0.464 158 H LYS 18 H LYS 18 8.665 -1.745 4.216 159 HA LYS 18 HA LYS 18 10.551 -1.647 5.507 160 1HB LYS 18 1HB LYS 18 11.395 -2.189 2.776 161 2HB LYS 18 2HB LYS 18 12.640 -1.363 3.699 162 1HG LYS 18 1HG LYS 18 13.196 -3.479 4.256 163 2HG LYS 18 2HG LYS 18 11.954 -3.231 5.486 164 1HD LYS 18 1HD LYS 18 10.330 -4.143 3.690 165 2HD LYS 18 2HD LYS 18 11.789 -4.756 2.910 166 1HE LYS 18 1HE LYS 18 11.790 -6.501 4.282 167 2HE LYS 18 2HE LYS 18 11.936 -5.417 5.664 168 1HZ LYS 18 1HZ LYS 18 9.656 -5.395 5.990 169 2HZ LYS 18 2HZ LYS 18 9.310 -5.933 4.423 170 3HZ LYS 18 3HZ LYS 18 9.950 -7.007 5.562 171 H LEU 19 H LEU 19 9.246 0.831 4.420 172 HA LEU 19 HA LEU 19 11.430 2.761 4.714 173 1HB LEU 19 1HB LEU 19 10.183 2.803 2.599 174 2HB LEU 19 2HB LEU 19 8.686 3.019 3.480 175 HG LEU 19 HG LEU 19 10.646 5.085 4.099 176 1HD1 LEU 19 1HD1 LEU 19 10.120 6.175 1.791 177 2HD1 LEU 19 2HD1 LEU 19 11.457 5.034 1.936 178 3HD1 LEU 19 3HD1 LEU 19 9.917 4.507 1.260 179 1HD2 LEU 19 1HD2 LEU 19 8.566 5.706 4.757 180 2HD2 LEU 19 2HD2 LEU 19 8.502 6.349 3.116 181 3HD2 LEU 19 3HD2 LEU 19 7.771 4.788 3.480 182 HA PRO 20 HA PRO 20 9.829 3.229 8.922 183 1HB PRO 20 1HB PRO 20 11.283 5.804 8.516 184 2HB PRO 20 2HB PRO 20 11.314 4.700 9.894 185 1HG PRO 20 1HG PRO 20 13.301 4.760 8.098 186 2HG PRO 20 2HG PRO 20 12.785 3.251 8.871 187 1HD PRO 20 1HD PRO 20 12.385 4.180 6.094 188 2HD PRO 20 2HD PRO 20 12.420 2.529 6.741 189 H ARG 21 H ARG 21 8.599 4.848 10.104 190 HA ARG 21 HA ARG 21 6.636 6.128 8.386 191 1HB ARG 21 1HB ARG 21 6.574 5.985 11.394 192 2HB ARG 21 2HB ARG 21 5.224 6.220 10.292 193 1HG ARG 21 1HG ARG 21 4.866 4.038 10.214 194 2HG ARG 21 2HG ARG 21 6.516 3.761 9.651 195 1HD ARG 21 1HD ARG 21 7.033 4.156 12.232 196 2HD ARG 21 2HD ARG 21 5.377 3.573 12.383 197 HE ARG 21 HE ARG 21 6.741 1.829 10.692 198 1HH1 ARG 21 1HH1 ARG 21 7.434 1.316 14.603 199 2HH1 ARG 21 2HH1 ARG 21 6.815 2.829 14.036 200 1HH2 ARG 21 1HH2 ARG 21 7.849 -0.384 13.130 201 2HH2 ARG 21 2HH2 ARG 21 7.544 -0.164 11.439 202 H GLN 22 H GLN 22 9.453 7.016 9.947 203 HA GLN 22 HA GLN 22 8.736 9.608 10.882 204 1HB GLN 22 1HB GLN 22 10.775 8.109 11.479 205 2HB GLN 22 2HB GLN 22 11.514 8.833 10.059 206 1HG GLN 22 1HG GLN 22 12.259 10.152 11.817 207 2HG GLN 22 2HG GLN 22 10.929 11.082 11.127 208 1HE2 GLN 22 1HE2 GLN 22 10.258 9.146 14.680 209 2HE2 GLN 22 2HE2 GLN 22 11.229 8.411 13.453 210 H LEU 23 H LEU 23 9.956 8.314 7.878 211 HA LEU 23 HA LEU 23 10.081 10.996 6.726 212 1HB LEU 23 1HB LEU 23 11.376 10.102 4.960 213 2HB LEU 23 2HB LEU 23 12.017 9.452 6.451 214 HG LEU 23 HG LEU 23 12.063 7.737 4.780 215 1HD1 LEU 23 1HD1 LEU 23 10.881 5.960 5.825 216 2HD1 LEU 23 2HD1 LEU 23 11.376 7.083 7.097 217 3HD1 LEU 23 3HD1 LEU 23 9.711 7.080 6.525 218 1HD2 LEU 23 1HD2 LEU 23 9.119 7.741 4.449 219 2HD2 LEU 23 2HD2 LEU 23 10.085 8.910 3.546 220 3HD2 LEU 23 3HD2 LEU 23 10.382 7.185 3.355 221 H TRP 24 H TRP 24 7.697 8.989 7.260 222 HA TRP 24 HA TRP 24 6.461 8.311 4.881 223 1HB TRP 24 1HB TRP 24 5.549 7.535 6.944 224 2HB TRP 24 2HB TRP 24 5.328 9.172 7.543 225 HD1 TRP 24 HD1 TRP 24 3.146 10.479 6.774 226 HE1 TRP 24 HE1 TRP 24 0.947 9.696 5.691 227 HE3 TRP 24 HE3 TRP 24 4.611 5.831 5.222 228 HZ2 TRP 24 HZ2 TRP 24 -0.040 7.406 4.359 229 HZ3 TRP 24 HZ3 TRP 24 2.977 4.413 4.049 230 HH2 TRP 24 HH2 TRP 24 0.702 5.186 3.629 231 H GLY 25 H GLY 25 6.468 9.732 3.210 232 1HA GLY 25 1HA GLY 25 4.555 11.589 2.785 233 2HA GLY 25 2HA GLY 25 5.800 12.518 3.605 234 H ASP 26 H ASP 26 7.897 10.768 2.342 235 HA ASP 26 HA ASP 26 8.253 12.370 -0.021 236 1HB ASP 26 1HB ASP 26 10.028 11.443 1.712 237 2HB ASP 26 2HB ASP 26 10.033 10.057 0.623 238 H PHE 27 H PHE 27 6.593 11.717 -1.431 239 HA PHE 27 HA PHE 27 5.800 9.188 -2.125 240 1HB PHE 27 1HB PHE 27 4.761 11.268 -2.983 241 2HB PHE 27 2HB PHE 27 6.145 11.499 -4.047 242 HD1 PHE 27 HD1 PHE 27 3.910 8.630 -3.197 243 HD2 PHE 27 HD2 PHE 27 5.664 11.032 -6.239 244 HE1 PHE 27 HE1 PHE 27 2.809 7.254 -4.914 245 HE2 PHE 27 HE2 PHE 27 4.568 9.657 -7.961 246 HZ PHE 27 HZ PHE 27 3.138 7.765 -7.298 247 H GLY 28 H GLY 28 8.467 11.029 -3.587 248 1HA GLY 28 1HA GLY 28 9.255 9.135 -5.475 249 2HA GLY 28 2HA GLY 28 10.314 10.337 -4.755 250 H ARG 29 H ARG 29 9.993 9.331 -2.041 251 HA ARG 29 HA ARG 29 11.986 7.255 -2.184 252 1HB ARG 29 1HB ARG 29 11.576 9.266 -0.432 253 2HB ARG 29 2HB ARG 29 10.795 7.949 0.435 254 1HG ARG 29 1HG ARG 29 13.012 6.674 -0.119 255 2HG ARG 29 2HG ARG 29 13.659 8.306 -0.291 256 1HD ARG 29 1HD ARG 29 12.019 7.792 2.111 257 2HD ARG 29 2HD ARG 29 13.577 6.971 2.041 258 HE ARG 29 HE ARG 29 13.348 9.889 1.696 259 1HH1 ARG 29 1HH1 ARG 29 15.939 8.062 4.148 260 2HH1 ARG 29 2HH1 ARG 29 14.772 7.118 3.290 261 1HH2 ARG 29 1HH2 ARG 29 16.003 10.331 3.891 262 2HH2 ARG 29 2HH2 ARG 29 14.883 11.121 2.831 263 H MET 30 H MET 30 8.663 7.504 -0.922 264 HA MET 30 HA MET 30 8.562 4.800 -0.071 265 1HB MET 30 1HB MET 30 6.090 5.178 0.058 266 2HB MET 30 2HB MET 30 7.061 6.330 0.960 267 1HG MET 30 1HG MET 30 6.808 7.605 -1.421 268 2HG MET 30 2HG MET 30 5.280 6.735 -1.322 269 1HE MET 30 1HE MET 30 4.102 6.631 1.233 270 2HE MET 30 2HE MET 30 5.562 6.852 2.196 271 3HE MET 30 3HE MET 30 4.216 7.978 2.366 272 H GLN 31 H GLN 31 7.404 6.427 -3.022 273 HA GLN 31 HA GLN 31 6.173 4.161 -4.144 274 1HB GLN 31 1HB GLN 31 5.788 6.417 -5.024 275 2HB GLN 31 2HB GLN 31 7.459 6.497 -5.570 276 1HG GLN 31 1HG GLN 31 7.009 4.548 -7.045 277 2HG GLN 31 2HG GLN 31 5.316 4.638 -6.574 278 1HE2 GLN 31 1HE2 GLN 31 5.043 6.487 -9.548 279 2HE2 GLN 31 2HE2 GLN 31 4.878 4.926 -8.827 280 H GLN 32 H GLN 32 9.496 5.385 -4.378 281 HA GLN 32 HA GLN 32 10.469 3.610 -6.284 282 1HB GLN 32 1HB GLN 32 11.567 5.571 -4.697 283 2HB GLN 32 2HB GLN 32 12.348 4.120 -4.092 284 1HG GLN 32 1HG GLN 32 13.620 3.911 -5.910 285 2HG GLN 32 2HG GLN 32 12.282 4.271 -7.001 286 1HE2 GLN 32 1HE2 GLN 32 15.092 6.919 -6.711 287 2HE2 GLN 32 2HE2 GLN 32 15.206 5.205 -6.528 288 H ALA 33 H ALA 33 10.171 3.228 -2.779 289 HA ALA 33 HA ALA 33 11.356 0.653 -2.668 290 1HB ALA 33 1HB ALA 33 9.839 2.388 -0.816 291 2HB ALA 33 2HB ALA 33 9.830 0.659 -0.465 292 3HB ALA 33 3HB ALA 33 11.360 1.526 -0.579 293 H TYR 34 H TYR 34 8.079 1.806 -3.203 294 HA TYR 34 HA TYR 34 6.644 -0.535 -2.799 295 1HB TYR 34 1HB TYR 34 5.539 1.603 -3.231 296 2HB TYR 34 2HB TYR 34 6.168 1.621 -4.877 297 HD1 TYR 34 HD1 TYR 34 5.488 -0.369 -6.388 298 HD2 TYR 34 HD2 TYR 34 3.415 0.700 -2.817 299 HE1 TYR 34 HE1 TYR 34 3.517 -1.614 -7.167 300 HE2 TYR 34 HE2 TYR 34 1.453 -0.564 -3.592 301 HH TYR 34 HH TYR 34 1.514 -2.768 -6.052 302 H LYS 35 H LYS 35 8.518 0.505 -5.601 303 HA LYS 35 HA LYS 35 7.740 -1.745 -7.211 304 1HB LYS 35 1HB LYS 35 9.299 0.692 -7.557 305 2HB LYS 35 2HB LYS 35 10.033 -0.692 -8.357 306 1HG LYS 35 1HG LYS 35 8.664 0.230 -9.987 307 2HG LYS 35 2HG LYS 35 7.705 -1.106 -9.347 308 1HD LYS 35 1HD LYS 35 6.745 0.710 -7.746 309 2HD LYS 35 2HD LYS 35 7.358 1.840 -8.955 310 1HE LYS 35 1HE LYS 35 5.288 1.524 -9.826 311 2HE LYS 35 2HE LYS 35 6.088 0.145 -10.578 312 1HZ LYS 35 1HZ LYS 35 5.319 -1.166 -8.588 313 2HZ LYS 35 2HZ LYS 35 4.336 0.151 -8.190 314 3HZ LYS 35 3HZ LYS 35 4.101 -0.665 -9.652 315 H GLN 36 H GLN 36 10.503 -0.889 -5.198 316 HA GLN 36 HA GLN 36 12.222 -2.963 -5.986 317 1HB GLN 36 1HB GLN 36 12.037 -1.674 -3.257 318 2HB GLN 36 2HB GLN 36 13.417 -2.550 -3.906 319 1HG GLN 36 1HG GLN 36 12.342 -0.120 -5.274 320 2HG GLN 36 2HG GLN 36 13.467 0.012 -3.926 321 1HE2 GLN 36 1HE2 GLN 36 15.390 0.074 -7.067 322 2HE2 GLN 36 2HE2 GLN 36 14.145 1.028 -6.343 323 H GLN 37 H GLN 37 9.816 -2.804 -3.383 324 HA GLN 37 HA GLN 37 10.306 -5.534 -2.597 325 1HB GLN 37 1HB GLN 37 8.121 -3.612 -1.794 326 2HB GLN 37 2HB GLN 37 8.451 -5.160 -1.025 327 1HG GLN 37 1HG GLN 37 10.353 -2.831 -1.146 328 2HG GLN 37 2HG GLN 37 9.367 -3.275 0.242 329 1HE2 GLN 37 1HE2 GLN 37 11.318 -6.116 1.087 330 2HE2 GLN 37 2HE2 GLN 37 9.706 -5.493 1.084 331 H SER 38 H SER 38 8.341 -3.931 -4.892 332 HA SER 38 HA SER 38 6.241 -5.856 -5.056 333 1HB SER 38 1HB SER 38 7.172 -3.560 -6.735 334 2HB SER 38 2HB SER 38 6.072 -4.736 -7.450 335 HG SER 38 HG SER 38 4.753 -3.273 -6.534 336 H LEU 39 H LEU 39 9.376 -5.431 -6.564 337 HA LEU 39 HA LEU 39 9.079 -7.368 -8.600 338 1HB LEU 39 1HB LEU 39 11.485 -6.172 -7.246 339 2HB LEU 39 2HB LEU 39 11.634 -7.374 -8.515 340 HG LEU 39 HG LEU 39 10.151 -4.779 -8.900 341 1HD1 LEU 39 1HD1 LEU 39 12.823 -5.108 -10.093 342 2HD1 LEU 39 2HD1 LEU 39 12.033 -3.671 -9.445 343 3HD1 LEU 39 3HD1 LEU 39 12.784 -4.832 -8.350 344 1HD2 LEU 39 1HD2 LEU 39 9.487 -5.984 -10.686 345 2HD2 LEU 39 2HD2 LEU 39 11.070 -5.530 -11.317 346 3HD2 LEU 39 3HD2 LEU 39 10.840 -7.110 -10.566 347 H LEU 40 H LEU 40 10.191 -7.546 -5.260 348 HA LEU 40 HA LEU 40 10.912 -10.330 -5.490 349 1HB LEU 40 1HB LEU 40 11.107 -10.131 -2.945 350 2HB LEU 40 2HB LEU 40 12.237 -9.230 -3.934 351 HG LEU 40 HG LEU 40 10.213 -7.403 -3.528 352 1HD1 LEU 40 1HD1 LEU 40 10.612 -8.089 -0.760 353 2HD1 LEU 40 2HD1 LEU 40 9.116 -7.751 -1.633 354 3HD1 LEU 40 3HD1 LEU 40 9.777 -9.385 -1.619 355 1HD2 LEU 40 1HD2 LEU 40 12.431 -6.702 -3.413 356 2HD2 LEU 40 2HD2 LEU 40 11.852 -6.518 -1.758 357 3HD2 LEU 40 3HD2 LEU 40 12.849 -7.906 -2.195 358 H LEU 41 H LEU 41 8.037 -8.604 -4.976 359 HA LEU 41 HA LEU 41 6.754 -10.810 -3.555 360 1HB LEU 41 1HB LEU 41 6.030 -7.975 -4.133 361 2HB LEU 41 2HB LEU 41 4.745 -9.125 -3.816 362 HG LEU 41 HG LEU 41 7.049 -8.776 -1.915 363 1HD1 LEU 41 1HD1 LEU 41 6.079 -7.017 -0.852 364 2HD1 LEU 41 2HD1 LEU 41 5.561 -6.661 -2.500 365 3HD1 LEU 41 3HD1 LEU 41 4.451 -7.449 -1.378 366 1HD2 LEU 41 1HD2 LEU 41 5.429 -9.682 -0.308 367 2HD2 LEU 41 2HD2 LEU 41 4.243 -9.833 -1.605 368 3HD2 LEU 41 3HD2 LEU 41 5.722 -10.791 -1.648 369 H HIS 42 H HIS 42 7.535 -10.338 -6.635 370 HA HIS 42 HA HIS 42 4.980 -10.933 -7.858 371 1HB HIS 42 1HB HIS 42 6.767 -9.429 -8.882 372 2HB HIS 42 2HB HIS 42 7.681 -10.898 -9.206 373 HD1 HIS 42 HD1 HIS 42 7.300 -11.847 -11.442 374 HD2 HIS 42 HD2 HIS 42 4.049 -9.605 -10.158 375 HE1 HIS 42 HE1 HIS 42 5.674 -11.871 -13.358 376 HE2 HIS 42 HE2 HIS 42 3.751 -10.433 -12.592 377 HA PRO 43 HA PRO 43 5.096 -15.342 -7.496 378 1HB PRO 43 1HB PRO 43 4.236 -15.196 -10.354 379 2HB PRO 43 2HB PRO 43 3.558 -16.142 -9.025 380 1HG PRO 43 1HG PRO 43 2.368 -13.906 -9.862 381 2HG PRO 43 2HG PRO 43 2.416 -14.334 -8.142 382 1HD PRO 43 1HD PRO 43 3.929 -12.244 -9.611 383 2HD PRO 43 2HD PRO 43 3.419 -12.290 -7.914 384 H ASP 44 H ASP 44 6.526 -13.786 -10.339 385 HA ASP 44 HA ASP 44 8.042 -16.077 -11.116 386 1HB ASP 44 1HB ASP 44 7.457 -13.527 -12.205 387 2HB ASP 44 2HB ASP 44 9.210 -13.663 -12.125 388 H LYS 45 H LYS 45 8.445 -13.807 -8.634 389 HA LYS 45 HA LYS 45 11.300 -14.506 -8.426 390 1HB LYS 45 1HB LYS 45 10.050 -12.007 -7.294 391 2HB LYS 45 2HB LYS 45 11.761 -12.386 -7.436 392 1HG LYS 45 1HG LYS 45 9.940 -12.031 -9.801 393 2HG LYS 45 2HG LYS 45 10.896 -10.729 -9.093 394 1HD LYS 45 1HD LYS 45 12.943 -11.907 -9.573 395 2HD LYS 45 2HD LYS 45 12.041 -13.312 -10.145 396 1HE LYS 45 1HE LYS 45 10.997 -11.689 -11.843 397 2HE LYS 45 2HE LYS 45 12.324 -10.610 -11.416 398 1HZ LYS 45 1HZ LYS 45 13.896 -12.272 -12.105 399 2HZ LYS 45 2HZ LYS 45 12.660 -13.384 -12.418 400 3HZ LYS 45 3HZ LYS 45 12.806 -11.992 -13.369 401 H GLY 46 H GLY 46 9.008 -15.970 -7.374 402 1HA GLY 46 1HA GLY 46 8.425 -17.072 -5.447 403 2HA GLY 46 2HA GLY 46 9.977 -16.558 -4.807 404 H GLY 47 H GLY 47 6.952 -14.881 -5.696 405 1HA GLY 47 1HA GLY 47 7.031 -13.610 -3.028 406 2HA GLY 47 2HA GLY 47 6.440 -12.804 -4.474 407 H SER 48 H SER 48 4.840 -12.800 -2.310 408 HA SER 48 HA SER 48 2.965 -15.015 -2.521 409 1HB SER 48 1HB SER 48 3.474 -12.836 -0.586 410 2HB SER 48 2HB SER 48 1.785 -13.310 -0.772 411 HG SER 48 HG SER 48 3.264 -14.477 0.808 412 H HIS 49 H HIS 49 0.782 -14.783 -3.080 413 HA HIS 49 HA HIS 49 0.294 -12.761 -5.088 414 1HB HIS 49 1HB HIS 49 -0.413 -15.326 -5.012 415 2HB HIS 49 2HB HIS 49 -1.837 -14.659 -4.219 416 HD1 HIS 49 HD1 HIS 49 -2.176 -12.093 -5.913 417 HD2 HIS 49 HD2 HIS 49 -1.427 -15.868 -7.480 418 HE1 HIS 49 HE1 HIS 49 -3.029 -12.019 -8.278 419 HE2 HIS 49 HE2 HIS 49 -2.634 -14.340 -9.181 420 H ALA 50 H ALA 50 -0.890 -13.608 -1.883 421 HA ALA 50 HA ALA 50 -3.000 -11.694 -1.843 422 1HB ALA 50 1HB ALA 50 -2.541 -13.846 -0.374 423 2HB ALA 50 2HB ALA 50 -1.795 -12.656 0.694 424 3HB ALA 50 3HB ALA 50 -3.490 -12.490 0.235 425 H LEU 51 H LEU 51 0.399 -11.596 -1.058 426 HA LEU 51 HA LEU 51 0.277 -9.190 0.481 427 1HB LEU 51 1HB LEU 51 2.385 -10.958 -0.588 428 2HB LEU 51 2HB LEU 51 2.845 -9.277 -0.386 429 HG LEU 51 HG LEU 51 1.557 -9.984 2.006 430 1HD1 LEU 51 1HD1 LEU 51 3.620 -12.061 1.318 431 2HD1 LEU 51 2HD1 LEU 51 2.629 -11.955 2.773 432 3HD1 LEU 51 3HD1 LEU 51 1.883 -12.350 1.225 433 1HD2 LEU 51 1HD2 LEU 51 3.390 -9.040 2.885 434 2HD2 LEU 51 2HD2 LEU 51 4.481 -10.115 2.011 435 3HD2 LEU 51 3HD2 LEU 51 3.822 -8.688 1.212 436 H MET 52 H MET 52 1.286 -9.922 -2.852 437 HA MET 52 HA MET 52 1.943 -7.330 -3.626 438 1HB MET 52 1HB MET 52 1.701 -9.860 -4.866 439 2HB MET 52 2HB MET 52 0.760 -8.733 -5.833 440 1HG MET 52 1HG MET 52 3.535 -8.030 -4.984 441 2HG MET 52 2HG MET 52 3.265 -9.103 -6.356 442 1HE MET 52 1HE MET 52 2.961 -5.937 -4.674 443 2HE MET 52 2HE MET 52 3.306 -4.789 -5.969 444 3HE MET 52 3HE MET 52 1.637 -5.121 -5.507 445 H GLN 53 H GLN 53 -1.190 -8.965 -3.596 446 HA GLN 53 HA GLN 53 -2.526 -6.783 -4.909 447 1HB GLN 53 1HB GLN 53 -4.606 -8.029 -4.329 448 2HB GLN 53 2HB GLN 53 -3.431 -8.982 -5.225 449 1HG GLN 53 1HG GLN 53 -3.700 -10.540 -3.678 450 2HG GLN 53 2HG GLN 53 -2.793 -9.487 -2.595 451 1HE2 GLN 53 1HE2 GLN 53 -6.218 -10.530 -1.293 452 2HE2 GLN 53 2HE2 GLN 53 -5.013 -11.423 -2.150 453 H GLU 54 H GLU 54 -1.933 -7.774 -1.601 454 HA GLU 54 HA GLU 54 -3.838 -6.100 -0.348 455 1HB GLU 54 1HB GLU 54 -1.870 -7.929 0.486 456 2HB GLU 54 2HB GLU 54 -1.437 -6.405 1.238 457 1HG GLU 54 1HG GLU 54 -2.846 -7.720 2.700 458 2HG GLU 54 2HG GLU 54 -3.665 -6.238 2.208 459 H LEU 55 H LEU 55 -0.394 -5.674 -1.055 460 HA LEU 55 HA LEU 55 -0.117 -3.088 -0.021 461 1HB LEU 55 1HB LEU 55 1.798 -4.445 -0.477 462 2HB LEU 55 2HB LEU 55 1.366 -4.586 -2.169 463 HG LEU 55 HG LEU 55 1.676 -1.981 -2.165 464 1HD1 LEU 55 1HD1 LEU 55 2.042 -1.474 0.071 465 2HD1 LEU 55 2HD1 LEU 55 3.071 -2.883 0.326 466 3HD1 LEU 55 3HD1 LEU 55 3.670 -1.510 -0.604 467 1HD2 LEU 55 1HD2 LEU 55 3.374 -4.239 -2.666 468 2HD2 LEU 55 2HD2 LEU 55 3.268 -2.707 -3.531 469 3HD2 LEU 55 3HD2 LEU 55 4.337 -2.860 -2.137 470 H ASN 56 H ASN 56 -1.064 -4.256 -3.212 471 HA ASN 56 HA ASN 56 -1.015 -1.806 -4.572 472 1HB ASN 56 1HB ASN 56 -2.084 -4.482 -5.033 473 2HB ASN 56 2HB ASN 56 -3.092 -3.224 -5.742 474 1HD2 ASN 56 1HD2 ASN 56 0.370 -4.285 -7.445 475 2HD2 ASN 56 2HD2 ASN 56 -0.301 -5.083 -6.067 476 H SER 57 H SER 57 -3.402 -3.246 -2.456 477 HA SER 57 HA SER 57 -5.486 -1.389 -3.087 478 1HB SER 57 1HB SER 57 -5.373 -3.805 -1.759 479 2HB SER 57 2HB SER 57 -5.653 -2.656 -0.452 480 HG SER 57 HG SER 57 -7.381 -1.819 -1.893 481 H LEU 58 H LEU 58 -2.961 -1.588 -0.641 482 HA LEU 58 HA LEU 58 -3.939 0.691 0.824 483 1HB LEU 58 1HB LEU 58 -1.253 -0.677 0.988 484 2HB LEU 58 2HB LEU 58 -1.901 0.468 2.144 485 HG LEU 58 HG LEU 58 -3.309 -2.122 1.572 486 1HD1 LEU 58 1HD1 LEU 58 -1.171 -2.881 2.193 487 2HD1 LEU 58 2HD1 LEU 58 -0.991 -1.623 3.414 488 3HD1 LEU 58 3HD1 LEU 58 -2.138 -2.939 3.667 489 1HD2 LEU 58 1HD2 LEU 58 -3.302 -0.174 3.874 490 2HD2 LEU 58 2HD2 LEU 58 -4.626 -0.521 2.764 491 3HD2 LEU 58 3HD2 LEU 58 -4.095 -1.748 3.913 492 H TRP 59 H TRP 59 -1.696 0.106 -1.775 493 HA TRP 59 HA TRP 59 -0.578 2.783 -1.614 494 1HB TRP 59 1HB TRP 59 0.947 0.984 -2.152 495 2HB TRP 59 2HB TRP 59 -0.083 0.454 -3.473 496 HD1 TRP 59 HD1 TRP 59 0.537 1.311 -5.795 497 HE1 TRP 59 HE1 TRP 59 2.111 3.120 -6.729 498 HE3 TRP 59 HE3 TRP 59 1.950 3.518 -1.406 499 HZ2 TRP 59 HZ2 TRP 59 3.741 5.194 -5.737 500 HZ3 TRP 59 HZ3 TRP 59 3.534 5.397 -1.488 501 HH2 TRP 59 HH2 TRP 59 4.407 6.219 -3.608 502 H GLY 60 H GLY 60 -3.148 1.106 -3.130 503 1HA GLY 60 1HA GLY 60 -3.370 2.769 -5.455 504 2HA GLY 60 2HA GLY 60 -4.579 1.645 -4.860 505 H THR 61 H THR 61 -5.483 2.466 -2.571 506 HA THR 61 HA THR 61 -7.011 4.758 -3.099 507 HB THR 61 HB THR 61 -7.067 2.840 -1.154 508 HG1 THR 61 HG1 THR 61 -8.940 3.760 -0.860 509 1HG2 THR 61 1HG2 THR 61 -6.983 4.003 1.011 510 2HG2 THR 61 2HG2 THR 61 -5.404 3.716 0.280 511 3HG2 THR 61 3HG2 THR 61 -6.128 5.326 0.221 512 H PHE 62 H PHE 62 -4.208 4.205 -1.105 513 HA PHE 62 HA PHE 62 -3.583 6.663 -0.075 514 1HB PHE 62 1HB PHE 62 -2.301 4.627 0.357 515 2HB PHE 62 2HB PHE 62 -1.761 4.589 -1.319 516 HD1 PHE 62 HD1 PHE 62 -1.899 7.719 0.582 517 HD2 PHE 62 HD2 PHE 62 0.555 4.485 -0.722 518 HE1 PHE 62 HE1 PHE 62 0.111 8.994 1.209 519 HE2 PHE 62 HE2 PHE 62 2.560 5.759 -0.088 520 HZ PHE 62 HZ PHE 62 2.344 8.009 0.866 521 H LYS 63 H LYS 63 -2.696 5.365 -3.223 522 HA LYS 63 HA LYS 63 -1.310 7.557 -4.232 523 1HB LYS 63 1HB LYS 63 -2.162 5.038 -5.109 524 2HB LYS 63 2HB LYS 63 -2.846 6.161 -6.253 525 1HG LYS 63 1HG LYS 63 -0.616 7.075 -6.684 526 2HG LYS 63 2HG LYS 63 0.064 5.934 -5.522 527 1HD LYS 63 1HD LYS 63 -1.199 5.366 -8.190 528 2HD LYS 63 2HD LYS 63 0.418 4.946 -7.628 529 1HE LYS 63 1HE LYS 63 -0.555 3.356 -6.027 530 2HE LYS 63 2HE LYS 63 -2.168 3.787 -6.586 531 1HZ LYS 63 1HZ LYS 63 -0.090 2.241 -7.974 532 2HZ LYS 63 2HZ LYS 63 -1.741 1.910 -7.804 533 3HZ LYS 63 3HZ LYS 63 -1.227 3.104 -8.885 534 H THR 64 H THR 64 -4.781 6.802 -4.281 535 HA THR 64 HA THR 64 -5.654 8.808 -5.998 536 HB THR 64 HB THR 64 -7.023 7.831 -3.479 537 HG1 THR 64 HG1 THR 64 -7.818 6.232 -4.683 538 1HG2 THR 64 1HG2 THR 64 -9.076 8.332 -4.998 539 2HG2 THR 64 2HG2 THR 64 -8.333 9.614 -4.041 540 3HG2 THR 64 3HG2 THR 64 -7.974 9.478 -5.762 541 H GLU 65 H GLU 65 -4.970 8.910 -2.535 542 HA GLU 65 HA GLU 65 -5.486 11.748 -2.399 543 1HB GLU 65 1HB GLU 65 -5.128 11.583 -0.066 544 2HB GLU 65 2HB GLU 65 -5.975 10.112 -0.518 545 1HG GLU 65 1HG GLU 65 -4.357 9.369 0.945 546 2HG GLU 65 2HG GLU 65 -3.645 9.052 -0.630 547 H VAL 66 H VAL 66 -2.836 9.686 -3.107 548 HA VAL 66 HA VAL 66 -0.682 11.181 -2.219 549 HB VAL 66 HB VAL 66 -0.967 9.292 -4.514 550 1HG1 VAL 66 1HG1 VAL 66 1.163 11.284 -4.152 551 2HG1 VAL 66 2HG1 VAL 66 1.718 9.629 -4.381 552 3HG1 VAL 66 3HG1 VAL 66 0.681 10.383 -5.591 553 1HG2 VAL 66 1HG2 VAL 66 -0.794 8.366 -2.273 554 2HG2 VAL 66 2HG2 VAL 66 0.659 7.997 -3.195 555 3HG2 VAL 66 3HG2 VAL 66 0.682 9.283 -1.989 556 H TYR 67 H TYR 67 -2.421 11.373 -5.311 557 HA TYR 67 HA TYR 67 -0.890 13.431 -6.446 558 1HB TYR 67 1HB TYR 67 -3.293 12.004 -7.088 559 2HB TYR 67 2HB TYR 67 -3.575 13.726 -7.334 560 HD1 TYR 67 HD1 TYR 67 -2.995 14.649 -9.377 561 HD2 TYR 67 HD2 TYR 67 -1.020 11.109 -8.088 562 HE1 TYR 67 HE1 TYR 67 -1.802 14.540 -11.525 563 HE2 TYR 67 HE2 TYR 67 0.177 10.989 -10.231 564 HH TYR 67 HH TYR 67 0.032 11.774 -12.469 565 H ASN 68 H ASN 68 -3.374 13.455 -4.035 566 HA ASN 68 HA ASN 68 -3.738 16.334 -4.203 567 1HB ASN 68 1HB ASN 68 -5.044 14.137 -2.626 568 2HB ASN 68 2HB ASN 68 -5.250 15.820 -2.147 569 1HD2 ASN 68 1HD2 ASN 68 -7.381 14.273 -5.150 570 2HD2 ASN 68 2HD2 ASN 68 -6.336 13.345 -4.135 571 H LEU 69 H LEU 69 -1.851 14.044 -2.435 572 HA LEU 69 HA LEU 69 -1.477 15.467 -0.041 573 1HB LEU 69 1HB LEU 69 0.120 13.918 0.496 574 2HB LEU 69 2HB LEU 69 -0.739 13.043 -0.754 575 HG LEU 69 HG LEU 69 1.072 13.994 -2.356 576 1HD1 LEU 69 1HD1 LEU 69 2.836 15.076 -1.533 577 2HD1 LEU 69 2HD1 LEU 69 1.894 15.280 -0.057 578 3HD1 LEU 69 3HD1 LEU 69 3.022 13.934 -0.204 579 1HD2 LEU 69 1HD2 LEU 69 0.909 11.643 -1.853 580 2HD2 LEU 69 2HD2 LEU 69 2.599 12.130 -1.783 581 3HD2 LEU 69 3HD2 LEU 69 1.691 11.882 -0.293 582 H ARG 70 H ARG 70 0.137 15.664 -3.163 583 HA ARG 70 HA ARG 70 2.145 17.468 -2.268 584 1HB ARG 70 1HB ARG 70 1.248 16.806 -5.070 585 2HB ARG 70 2HB ARG 70 2.692 17.726 -4.664 586 1HG ARG 70 1HG ARG 70 3.461 15.707 -3.360 587 2HG ARG 70 2HG ARG 70 2.130 14.828 -4.114 588 1HD ARG 70 1HD ARG 70 4.410 16.206 -5.529 589 2HD ARG 70 2HD ARG 70 4.178 14.468 -5.352 590 HE ARG 70 HE ARG 70 2.166 16.065 -6.767 591 1HH1 ARG 70 1HH1 ARG 70 4.149 12.978 -8.374 592 2HH1 ARG 70 2HH1 ARG 70 4.616 13.569 -6.816 593 1HH2 ARG 70 1HH2 ARG 70 2.424 13.950 -9.508 594 2HH2 ARG 70 2HH2 ARG 70 1.563 15.283 -8.812 595 H MET 71 H MET 71 -0.998 17.967 -2.503 596 HA MET 71 HA MET 71 -0.723 20.763 -3.370 597 1HB MET 71 1HB MET 71 -3.080 18.886 -3.423 598 2HB MET 71 2HB MET 71 -3.274 20.627 -3.571 599 1HG MET 71 1HG MET 71 -1.258 19.732 -5.390 600 2HG MET 71 2HG MET 71 -2.718 18.764 -5.595 601 1HE MET 71 1HE MET 71 -3.465 20.679 -8.493 602 2HE MET 71 2HE MET 71 -1.832 21.272 -8.185 603 3HE MET 71 3HE MET 71 -2.236 19.588 -7.852 604 H ASN 72 H ASN 72 -2.069 18.610 -0.930 605 HA ASN 72 HA ASN 72 -3.241 20.606 0.690 606 1HB ASN 72 1HB ASN 72 -2.199 17.893 1.535 607 2HB ASN 72 2HB ASN 72 -3.360 18.887 2.411 608 1HD2 ASN 72 1HD2 ASN 72 -4.872 16.186 0.161 609 2HD2 ASN 72 2HD2 ASN 72 -3.442 16.156 1.130 610 H LEU 73 H LEU 73 -2.478 21.738 2.427 611 HA LEU 73 HA LEU 73 0.402 22.015 2.607 612 1HB LEU 73 1HB LEU 73 -0.177 23.879 4.194 613 2HB LEU 73 2HB LEU 73 -0.773 24.069 2.555 614 HG LEU 73 HG LEU 73 -2.811 22.768 4.051 615 1HD1 LEU 73 1HD1 LEU 73 -2.542 23.538 6.122 616 2HD1 LEU 73 2HD1 LEU 73 -1.273 24.659 5.631 617 3HD1 LEU 73 3HD1 LEU 73 -2.967 25.124 5.478 618 1HD2 LEU 73 1HD2 LEU 73 -4.108 24.272 2.994 619 2HD2 LEU 73 2HD2 LEU 73 -3.088 25.634 3.455 620 3HD2 LEU 73 3HD2 LEU 73 -2.635 24.618 2.088 621 H GLY 74 H GLY 74 0.985 20.052 3.588 622 1HA GLY 74 1HA GLY 74 0.672 20.085 6.485 623 2HA GLY 74 2HA GLY 74 0.057 18.663 5.658 624 H GLY 75 H GLY 75 2.993 20.645 5.267 625 1HA GLY 75 1HA GLY 75 4.857 19.010 6.419 626 2HA GLY 75 2HA GLY 75 4.599 18.302 4.832 627 H THR 76 H THR 76 4.431 21.752 5.476 628 HA THR 76 HA THR 76 6.523 22.201 3.520 629 HB THR 76 HB THR 76 5.178 24.385 5.074 630 HG1 THR 76 HG1 THR 76 3.458 24.281 3.590 631 1HG2 THR 76 1HG2 THR 76 5.128 25.191 2.534 632 2HG2 THR 76 2HG2 THR 76 6.495 25.480 3.611 633 3HG2 THR 76 3HG2 THR 76 6.538 24.134 2.470 634 H GLY 77 H GLY 77 8.401 23.467 3.918 635 1HA GLY 77 1HA GLY 77 9.489 23.020 6.579 636 2HA GLY 77 2HA GLY 77 10.379 23.568 5.167 637 H PHE 78 H PHE 78 7.439 24.935 6.593 638 HA PHE 78 HA PHE 78 8.762 27.529 6.733 639 1HB PHE 78 1HB PHE 78 6.407 27.052 5.728 640 2HB PHE 78 2HB PHE 78 5.876 27.044 7.406 641 HD1 PHE 78 HD1 PHE 78 5.226 29.022 8.384 642 HD2 PHE 78 HD2 PHE 78 7.807 29.135 5.002 643 HE1 PHE 78 HE1 PHE 78 5.061 31.476 8.346 644 HE2 PHE 78 HE2 PHE 78 7.647 31.589 4.958 645 HZ PHE 78 HZ PHE 78 6.275 32.763 6.632 646 H GLN 79 H GLN 79 9.291 25.311 8.662 647 HA GLN 79 HA GLN 79 8.272 26.495 11.144 648 1HB GLN 79 1HB GLN 79 9.168 23.791 10.337 649 2HB GLN 79 2HB GLN 79 9.585 24.284 11.973 650 1HG GLN 79 1HG GLN 79 6.794 24.727 11.103 651 2HG GLN 79 2HG GLN 79 7.305 23.060 11.368 652 1HE2 GLN 79 1HE2 GLN 79 5.999 24.877 14.472 653 2HE2 GLN 79 2HE2 GLN 79 5.469 24.950 12.829 Start of MODEL 36 1 1H MET 1 1H MET 1 -13.645 9.540 -2.356 2 2H MET 1 2H MET 1 -12.759 9.303 -0.905 3 3H MET 1 3H MET 1 -13.434 7.958 -1.728 4 HA MET 1 HA MET 1 -14.758 10.043 -0.164 5 1HB MET 1 1HB MET 1 -15.767 9.833 -2.469 6 2HB MET 1 2HB MET 1 -16.120 8.153 -2.090 7 1HG MET 1 1HG MET 1 -17.326 9.150 -0.020 8 2HG MET 1 2HG MET 1 -17.319 10.640 -0.964 9 1HE MET 1 1HE MET 1 -20.403 8.330 -0.361 10 2HE MET 1 2HE MET 1 -19.699 6.943 -1.190 11 3HE MET 1 3HE MET 1 -18.803 7.746 0.099 12 H ASP 2 H ASP 2 -15.248 6.669 -1.205 13 HA ASP 2 HA ASP 2 -15.594 5.913 1.603 14 1HB ASP 2 1HB ASP 2 -16.571 3.827 0.697 15 2HB ASP 2 2HB ASP 2 -17.407 5.263 0.115 16 H ARG 3 H ARG 3 -13.262 5.873 -0.813 17 HA ARG 3 HA ARG 3 -11.979 3.419 0.070 18 1HB ARG 3 1HB ARG 3 -11.940 5.044 -2.296 19 2HB ARG 3 2HB ARG 3 -10.299 4.843 -1.703 20 1HG ARG 3 1HG ARG 3 -10.277 2.902 -2.777 21 2HG ARG 3 2HG ARG 3 -11.376 2.303 -1.535 22 1HD ARG 3 1HD ARG 3 -12.869 1.946 -3.143 23 2HD ARG 3 2HD ARG 3 -13.001 3.695 -3.325 24 HE ARG 3 HE ARG 3 -11.603 1.853 -5.067 25 1HH1 ARG 3 1HH1 ARG 3 -11.459 5.816 -5.627 26 2HH1 ARG 3 2HH1 ARG 3 -12.068 5.189 -4.135 27 1HH2 ARG 3 1HH2 ARG 3 -10.750 4.400 -7.270 28 2HH2 ARG 3 2HH2 ARG 3 -10.808 2.687 -7.028 29 H VAL 4 H VAL 4 -11.405 3.959 2.195 30 HA VAL 4 HA VAL 4 -9.039 5.676 2.357 31 HB VAL 4 HB VAL 4 -9.793 6.578 4.545 32 1HG1 VAL 4 1HG1 VAL 4 -11.847 7.354 2.520 33 2HG1 VAL 4 2HG1 VAL 4 -10.910 8.370 3.616 34 3HG1 VAL 4 3HG1 VAL 4 -10.139 7.656 2.201 35 1HG2 VAL 4 1HG2 VAL 4 -11.510 4.722 4.867 36 2HG2 VAL 4 2HG2 VAL 4 -11.993 6.352 5.330 37 3HG2 VAL 4 3HG2 VAL 4 -12.556 5.665 3.807 38 H LEU 5 H LEU 5 -7.424 4.628 3.246 39 HA LEU 5 HA LEU 5 -7.899 2.129 4.647 40 1HB LEU 5 1HB LEU 5 -5.714 1.587 4.191 41 2HB LEU 5 2HB LEU 5 -6.137 2.550 2.815 42 HG LEU 5 HG LEU 5 -4.592 3.580 5.188 43 1HD1 LEU 5 1HD1 LEU 5 -2.710 3.596 3.461 44 2HD1 LEU 5 2HD1 LEU 5 -3.147 2.038 4.162 45 3HD1 LEU 5 3HD1 LEU 5 -3.703 2.461 2.544 46 1HD2 LEU 5 1HD2 LEU 5 -5.487 5.449 4.254 47 2HD2 LEU 5 2HD2 LEU 5 -4.050 5.274 3.247 48 3HD2 LEU 5 3HD2 LEU 5 -5.614 4.717 2.657 49 H SER 6 H SER 6 -7.614 1.765 6.748 50 HA SER 6 HA SER 6 -7.455 4.020 8.505 51 1HB SER 6 1HB SER 6 -7.989 2.506 10.248 52 2HB SER 6 2HB SER 6 -8.863 1.912 8.837 53 HG SER 6 HG SER 6 -7.798 0.126 9.036 54 H ARG 7 H ARG 7 -6.062 3.756 10.557 55 HA ARG 7 HA ARG 7 -3.412 4.198 9.955 56 1HB ARG 7 1HB ARG 7 -4.602 4.699 12.125 57 2HB ARG 7 2HB ARG 7 -4.386 3.008 12.554 58 1HG ARG 7 1HG ARG 7 -2.079 3.222 12.749 59 2HG ARG 7 2HG ARG 7 -2.044 4.719 11.816 60 1HD ARG 7 1HD ARG 7 -3.150 4.331 14.591 61 2HD ARG 7 2HD ARG 7 -1.698 5.228 14.145 62 HE ARG 7 HE ARG 7 -3.443 6.612 12.790 63 1HH1 ARG 7 1HH1 ARG 7 -4.969 6.503 16.492 64 2HH1 ARG 7 2HH1 ARG 7 -3.848 5.282 15.999 65 1HH2 ARG 7 1HH2 ARG 7 -5.576 8.164 15.048 66 2HH2 ARG 7 2HH2 ARG 7 -4.916 8.211 13.447 67 H ALA 8 H ALA 8 -5.048 1.175 10.607 68 HA ALA 8 HA ALA 8 -2.712 -0.410 10.894 69 1HB ALA 8 1HB ALA 8 -5.064 -0.985 11.661 70 2HB ALA 8 2HB ALA 8 -5.391 -1.424 9.984 71 3HB ALA 8 3HB ALA 8 -4.144 -2.280 10.894 72 H ASP 9 H ASP 9 -4.488 0.783 8.155 73 HA ASP 9 HA ASP 9 -3.322 -1.111 6.315 74 1HB ASP 9 1HB ASP 9 -5.155 1.240 6.087 75 2HB ASP 9 2HB ASP 9 -4.370 0.624 4.653 76 H LYS 10 H LYS 10 -3.080 2.434 6.762 77 HA LYS 10 HA LYS 10 -0.995 2.812 4.924 78 1HB LYS 10 1HB LYS 10 -0.513 4.905 6.331 79 2HB LYS 10 2HB LYS 10 -2.093 4.769 5.579 80 1HG LYS 10 1HG LYS 10 -2.329 3.593 8.116 81 2HG LYS 10 2HG LYS 10 -1.419 5.085 8.336 82 1HD LYS 10 1HD LYS 10 -3.617 5.523 6.533 83 2HD LYS 10 2HD LYS 10 -4.195 4.799 8.032 84 1HE LYS 10 1HE LYS 10 -2.244 6.897 8.500 85 2HE LYS 10 2HE LYS 10 -3.648 7.474 7.604 86 1HZ LYS 10 1HZ LYS 10 -4.183 7.734 9.853 87 2HZ LYS 10 2HZ LYS 10 -5.014 6.338 9.382 88 3HZ LYS 10 3HZ LYS 10 -3.583 6.210 10.278 89 H GLU 11 H GLU 11 -0.970 2.070 8.363 90 HA GLU 11 HA GLU 11 1.850 2.249 8.682 91 1HB GLU 11 1HB GLU 11 0.285 2.381 10.584 92 2HB GLU 11 2HB GLU 11 -0.172 0.704 10.319 93 1HG GLU 11 1HG GLU 11 1.352 0.707 12.112 94 2HG GLU 11 2HG GLU 11 2.232 0.096 10.711 95 H ARG 12 H ARG 12 -0.356 -0.250 7.647 96 HA ARG 12 HA ARG 12 1.523 -2.404 7.825 97 1HB ARG 12 1HB ARG 12 -0.884 -2.828 7.882 98 2HB ARG 12 2HB ARG 12 -1.061 -2.153 6.268 99 1HG ARG 12 1HG ARG 12 0.688 -4.036 5.674 100 2HG ARG 12 2HG ARG 12 0.020 -4.774 7.129 101 1HD ARG 12 1HD ARG 12 -1.357 -4.082 4.563 102 2HD ARG 12 2HD ARG 12 -1.305 -5.624 5.408 103 HE ARG 12 HE ARG 12 -3.003 -3.334 6.054 104 1HH1 ARG 12 1HH1 ARG 12 -3.373 -6.935 7.774 105 2HH1 ARG 12 2HH1 ARG 12 -1.998 -6.605 6.778 106 1HH2 ARG 12 1HH2 ARG 12 -4.964 -5.331 8.111 107 2HH2 ARG 12 2HH2 ARG 12 -4.803 -3.773 7.369 108 H LEU 13 H LEU 13 0.492 -0.132 5.352 109 HA LEU 13 HA LEU 13 1.785 -1.311 3.145 110 1HB LEU 13 1HB LEU 13 0.111 0.389 2.828 111 2HB LEU 13 2HB LEU 13 1.030 1.540 3.770 112 HG LEU 13 HG LEU 13 2.810 1.010 1.801 113 1HD1 LEU 13 1HD1 LEU 13 0.072 0.795 0.557 114 2HD1 LEU 13 2HD1 LEU 13 1.583 1.015 -0.327 115 3HD1 LEU 13 3HD1 LEU 13 1.307 -0.463 0.595 116 1HD2 LEU 13 1HD2 LEU 13 2.462 3.181 1.197 117 2HD2 LEU 13 2HD2 LEU 13 0.704 3.022 1.219 118 3HD2 LEU 13 3HD2 LEU 13 1.597 3.161 2.735 119 H LEU 14 H LEU 14 2.816 0.939 5.630 120 HA LEU 14 HA LEU 14 5.309 1.641 4.537 121 1HB LEU 14 1HB LEU 14 4.106 1.685 7.271 122 2HB LEU 14 2HB LEU 14 5.821 2.003 7.087 123 HG LEU 14 HG LEU 14 3.557 3.575 5.861 124 1HD1 LEU 14 1HD1 LEU 14 5.645 4.629 7.722 125 2HD1 LEU 14 2HD1 LEU 14 4.031 5.253 7.377 126 3HD1 LEU 14 3HD1 LEU 14 4.223 3.797 8.354 127 1HD2 LEU 14 1HD2 LEU 14 4.984 4.232 4.296 128 2HD2 LEU 14 2HD2 LEU 14 5.987 4.936 5.564 129 3HD2 LEU 14 3HD2 LEU 14 6.285 3.286 5.017 130 H GLU 15 H GLU 15 4.402 -0.865 6.886 131 HA GLU 15 HA GLU 15 6.963 -1.874 7.363 132 1HB GLU 15 1HB GLU 15 4.553 -2.409 8.394 133 2HB GLU 15 2HB GLU 15 4.687 -3.786 7.307 134 1HG GLU 15 1HG GLU 15 6.672 -4.540 8.382 135 2HG GLU 15 2HG GLU 15 6.785 -3.060 9.333 136 H LEU 16 H LEU 16 4.879 -2.216 4.628 137 HA LEU 16 HA LEU 16 6.322 -4.520 3.596 138 1HB LEU 16 1HB LEU 16 4.012 -2.904 2.534 139 2HB LEU 16 2HB LEU 16 4.762 -4.204 1.629 140 HG LEU 16 HG LEU 16 3.782 -4.806 4.375 141 1HD1 LEU 16 1HD1 LEU 16 1.821 -3.793 3.765 142 2HD1 LEU 16 2HD1 LEU 16 2.068 -4.098 2.045 143 3HD1 LEU 16 3HD1 LEU 16 1.568 -5.412 3.110 144 1HD2 LEU 16 1HD2 LEU 16 4.922 -6.547 3.194 145 2HD2 LEU 16 2HD2 LEU 16 3.205 -6.949 3.238 146 3HD2 LEU 16 3HD2 LEU 16 3.920 -6.300 1.763 147 H LEU 17 H LEU 17 6.149 -1.060 3.145 148 HA LEU 17 HA LEU 17 7.760 -1.113 0.745 149 1HB LEU 17 1HB LEU 17 6.309 0.942 2.287 150 2HB LEU 17 2HB LEU 17 7.724 1.487 1.407 151 HG LEU 17 HG LEU 17 6.758 0.618 -0.681 152 1HD1 LEU 17 1HD1 LEU 17 4.437 -0.118 -0.741 153 2HD1 LEU 17 2HD1 LEU 17 5.423 -1.193 0.252 154 3HD1 LEU 17 3HD1 LEU 17 4.352 -0.018 1.016 155 1HD2 LEU 17 1HD2 LEU 17 5.069 2.528 0.915 156 2HD2 LEU 17 2HD2 LEU 17 6.369 2.915 -0.214 157 3HD2 LEU 17 3HD2 LEU 17 4.852 2.240 -0.810 158 H LYS 18 H LYS 18 8.523 -1.547 3.902 159 HA LYS 18 HA LYS 18 10.418 -1.287 5.146 160 1HB LYS 18 1HB LYS 18 11.248 -1.787 2.406 161 2HB LYS 18 2HB LYS 18 12.443 -0.853 3.292 162 1HG LYS 18 1HG LYS 18 13.169 -2.928 3.829 163 2HG LYS 18 2HG LYS 18 11.980 -2.729 5.117 164 1HD LYS 18 1HD LYS 18 10.343 -3.763 3.351 165 2HD LYS 18 2HD LYS 18 11.832 -4.376 2.631 166 1HE LYS 18 1HE LYS 18 12.305 -5.081 5.145 167 2HE LYS 18 2HE LYS 18 10.544 -5.056 5.219 168 1HZ LYS 18 1HZ LYS 18 10.405 -6.916 4.021 169 2HZ LYS 18 2HZ LYS 18 11.576 -6.419 2.907 170 3HZ LYS 18 3HZ LYS 18 12.046 -7.135 4.364 171 H LEU 19 H LEU 19 8.926 1.099 4.027 172 HA LEU 19 HA LEU 19 11.001 3.150 4.228 173 1HB LEU 19 1HB LEU 19 9.672 3.317 2.244 174 2HB LEU 19 2HB LEU 19 8.183 3.181 3.159 175 HG LEU 19 HG LEU 19 9.855 5.451 3.932 176 1HD1 LEU 19 1HD1 LEU 19 8.488 5.559 1.263 177 2HD1 LEU 19 2HD1 LEU 19 9.497 6.792 2.014 178 3HD1 LEU 19 3HD1 LEU 19 10.220 5.286 1.448 179 1HD2 LEU 19 1HD2 LEU 19 7.704 5.286 4.859 180 2HD2 LEU 19 2HD2 LEU 19 7.620 6.585 3.672 181 3HD2 LEU 19 3HD2 LEU 19 6.963 4.994 3.288 182 HA PRO 20 HA PRO 20 9.645 3.574 8.525 183 1HB PRO 20 1HB PRO 20 11.292 6.031 8.245 184 2HB PRO 20 2HB PRO 20 11.347 4.775 9.475 185 1HG PRO 20 1HG PRO 20 13.205 4.926 7.563 186 2HG PRO 20 2HG PRO 20 12.636 3.368 8.187 187 1HD PRO 20 1HD PRO 20 12.031 4.715 5.606 188 2HD PRO 20 2HD PRO 20 12.164 2.985 5.977 189 H ARG 21 H ARG 21 8.833 5.535 9.831 190 HA ARG 21 HA ARG 21 6.675 6.709 8.336 191 1HB ARG 21 1HB ARG 21 7.457 6.698 11.230 192 2HB ARG 21 2HB ARG 21 6.179 7.756 10.647 193 1HG ARG 21 1HG ARG 21 4.920 5.838 9.856 194 2HG ARG 21 2HG ARG 21 6.217 4.758 10.371 195 1HD ARG 21 1HD ARG 21 4.609 4.667 12.087 196 2HD ARG 21 2HD ARG 21 5.894 5.707 12.697 197 HE ARG 21 HE ARG 21 4.483 7.602 12.292 198 1HH1 ARG 21 1HH1 ARG 21 1.299 5.172 12.201 199 2HH1 ARG 21 2HH1 ARG 21 2.880 4.507 11.979 200 1HH2 ARG 21 1HH2 ARG 21 1.026 7.413 12.540 201 2HH2 ARG 21 2HH2 ARG 21 2.403 8.463 12.581 202 H GLN 22 H GLN 22 9.742 7.755 9.535 203 HA GLN 22 HA GLN 22 9.318 10.519 9.645 204 1HB GLN 22 1HB GLN 22 11.284 9.312 10.544 205 2HB GLN 22 2HB GLN 22 11.850 9.062 8.900 206 1HG GLN 22 1HG GLN 22 12.909 11.000 8.994 207 2HG GLN 22 2HG GLN 22 11.357 11.817 9.165 208 1HE2 GLN 22 1HE2 GLN 22 13.860 12.312 12.045 209 2HE2 GLN 22 2HE2 GLN 22 14.156 12.127 10.352 210 H LEU 23 H LEU 23 9.262 8.487 6.945 211 HA LEU 23 HA LEU 23 9.556 10.794 5.147 212 1HB LEU 23 1HB LEU 23 10.381 9.109 3.433 213 2HB LEU 23 2HB LEU 23 11.497 9.542 4.716 214 HG LEU 23 HG LEU 23 9.791 7.065 4.813 215 1HD1 LEU 23 1HD1 LEU 23 12.654 7.276 3.903 216 2HD1 LEU 23 2HD1 LEU 23 11.690 5.804 4.046 217 3HD1 LEU 23 3HD1 LEU 23 11.269 7.020 2.838 218 1HD2 LEU 23 1HD2 LEU 23 11.774 8.328 6.546 219 2HD2 LEU 23 2HD2 LEU 23 10.512 7.154 6.920 220 3HD2 LEU 23 3HD2 LEU 23 12.053 6.612 6.252 221 H TRP 24 H TRP 24 7.282 9.315 6.471 222 HA TRP 24 HA TRP 24 5.799 7.776 4.724 223 1HB TRP 24 1HB TRP 24 5.177 8.056 7.039 224 2HB TRP 24 2HB TRP 24 4.892 9.774 6.801 225 HD1 TRP 24 HD1 TRP 24 2.395 10.231 6.913 226 HE1 TRP 24 HE1 TRP 24 0.253 9.083 6.070 227 HE3 TRP 24 HE3 TRP 24 4.480 6.095 4.747 228 HZ2 TRP 24 HZ2 TRP 24 -0.463 6.736 4.679 229 HZ3 TRP 24 HZ3 TRP 24 2.990 4.439 3.683 230 HH2 TRP 24 HH2 TRP 24 0.573 4.762 3.650 231 H GLY 25 H GLY 25 6.595 11.101 4.462 232 1HA GLY 25 1HA GLY 25 4.408 11.584 2.563 233 2HA GLY 25 2HA GLY 25 5.428 12.818 3.286 234 H ASP 26 H ASP 26 7.787 10.930 2.691 235 HA ASP 26 HA ASP 26 8.609 12.182 0.306 236 1HB ASP 26 1HB ASP 26 9.999 11.048 2.225 237 2HB ASP 26 2HB ASP 26 9.844 9.606 1.228 238 H PHE 27 H PHE 27 7.076 11.819 -1.292 239 HA PHE 27 HA PHE 27 6.015 9.350 -2.043 240 1HB PHE 27 1HB PHE 27 5.125 11.543 -2.770 241 2HB PHE 27 2HB PHE 27 6.525 11.742 -3.818 242 HD1 PHE 27 HD1 PHE 27 5.783 11.641 -5.994 243 HD2 PHE 27 HD2 PHE 27 4.333 8.796 -3.179 244 HE1 PHE 27 HE1 PHE 27 4.601 10.460 -7.801 245 HE2 PHE 27 HE2 PHE 27 3.150 7.611 -4.980 246 HZ PHE 27 HZ PHE 27 3.283 8.442 -7.295 247 H GLY 28 H GLY 28 8.927 11.018 -3.167 248 1HA GLY 28 1HA GLY 28 9.572 9.218 -5.237 249 2HA GLY 28 2HA GLY 28 10.700 10.297 -4.432 250 H ARG 29 H ARG 29 10.219 9.114 -1.790 251 HA ARG 29 HA ARG 29 12.142 6.993 -1.994 252 1HB ARG 29 1HB ARG 29 11.389 8.803 -0.023 253 2HB ARG 29 2HB ARG 29 10.864 7.250 0.609 254 1HG ARG 29 1HG ARG 29 12.942 6.631 1.081 255 2HG ARG 29 2HG ARG 29 13.535 7.121 -0.508 256 1HD ARG 29 1HD ARG 29 13.592 9.464 0.285 257 2HD ARG 29 2HD ARG 29 13.097 8.909 1.882 258 HE ARG 29 HE ARG 29 15.221 8.071 2.238 259 1HH1 ARG 29 1HH1 ARG 29 16.604 9.051 -1.392 260 2HH1 ARG 29 2HH1 ARG 29 14.905 9.138 -1.074 261 1HH2 ARG 29 1HH2 ARG 29 18.050 8.375 0.243 262 2HH2 ARG 29 2HH2 ARG 29 17.454 7.952 1.814 263 H MET 30 H MET 30 8.728 7.205 -1.033 264 HA MET 30 HA MET 30 8.415 4.482 -0.393 265 1HB MET 30 1HB MET 30 5.980 4.920 -0.659 266 2HB MET 30 2HB MET 30 6.796 6.079 0.380 267 1HG MET 30 1HG MET 30 6.891 7.655 -1.519 268 2HG MET 30 2HG MET 30 5.968 6.501 -2.479 269 1HE MET 30 1HE MET 30 6.109 8.000 0.978 270 2HE MET 30 2HE MET 30 4.477 8.572 1.319 271 3HE MET 30 3HE MET 30 4.851 6.854 1.442 272 H GLN 31 H GLN 31 7.880 6.256 -3.418 273 HA GLN 31 HA GLN 31 6.801 4.109 -4.880 274 1HB GLN 31 1HB GLN 31 6.934 6.627 -5.485 275 2HB GLN 31 2HB GLN 31 8.516 6.229 -6.143 276 1HG GLN 31 1HG GLN 31 7.408 4.500 -7.559 277 2HG GLN 31 2HG GLN 31 5.856 5.116 -6.994 278 1HE2 GLN 31 1HE2 GLN 31 8.004 7.090 -9.810 279 2HE2 GLN 31 2HE2 GLN 31 8.645 5.729 -8.960 280 H GLN 32 H GLN 32 10.110 5.129 -4.262 281 HA GLN 32 HA GLN 32 11.362 3.344 -6.071 282 1HB GLN 32 1HB GLN 32 12.329 5.410 -4.826 283 2HB GLN 32 2HB GLN 32 12.641 4.278 -3.519 284 1HG GLN 32 1HG GLN 32 14.235 3.131 -4.705 285 2HG GLN 32 2HG GLN 32 13.582 3.624 -6.267 286 1HE2 GLN 32 1HE2 GLN 32 15.838 6.345 -4.189 287 2HE2 GLN 32 2HE2 GLN 32 14.780 5.267 -3.352 288 H ALA 33 H ALA 33 10.310 3.097 -2.735 289 HA ALA 33 HA ALA 33 11.499 0.498 -2.337 290 1HB ALA 33 1HB ALA 33 9.385 1.391 -0.489 291 2HB ALA 33 2HB ALA 33 11.003 0.773 -0.153 292 3HB ALA 33 3HB ALA 33 10.783 2.458 -0.623 293 H TYR 34 H TYR 34 8.389 1.824 -3.231 294 HA TYR 34 HA TYR 34 6.803 -0.458 -2.834 295 1HB TYR 34 1HB TYR 34 5.758 1.685 -3.220 296 2HB TYR 34 2HB TYR 34 6.524 1.828 -4.798 297 HD1 TYR 34 HD1 TYR 34 3.604 0.780 -3.040 298 HD2 TYR 34 HD2 TYR 34 5.898 0.048 -6.558 299 HE1 TYR 34 HE1 TYR 34 1.662 -0.305 -4.090 300 HE2 TYR 34 HE2 TYR 34 3.953 -1.022 -7.612 301 HH TYR 34 HH TYR 34 1.018 -1.678 -5.824 302 H LYS 35 H LYS 35 8.601 0.674 -5.680 303 HA LYS 35 HA LYS 35 7.862 -1.505 -7.342 304 1HB LYS 35 1HB LYS 35 9.330 0.894 -7.616 305 2HB LYS 35 2HB LYS 35 10.416 -0.407 -8.087 306 1HG LYS 35 1HG LYS 35 8.822 -1.192 -9.725 307 2HG LYS 35 2HG LYS 35 7.654 0.025 -9.206 308 1HD LYS 35 1HD LYS 35 9.248 1.791 -9.875 309 2HD LYS 35 2HD LYS 35 10.348 0.542 -10.464 310 1HE LYS 35 1HE LYS 35 9.088 1.462 -12.313 311 2HE LYS 35 2HE LYS 35 8.610 -0.214 -12.037 312 1HZ LYS 35 1HZ LYS 35 7.117 2.192 -11.134 313 2HZ LYS 35 2HZ LYS 35 6.687 1.181 -12.419 314 3HZ LYS 35 3HZ LYS 35 6.662 0.589 -10.835 315 H GLN 36 H GLN 36 10.604 -0.867 -5.221 316 HA GLN 36 HA GLN 36 12.112 -3.157 -5.930 317 1HB GLN 36 1HB GLN 36 12.830 -1.026 -4.632 318 2HB GLN 36 2HB GLN 36 12.221 -1.875 -3.216 319 1HG GLN 36 1HG GLN 36 13.801 -3.777 -4.329 320 2HG GLN 36 2HG GLN 36 14.664 -2.305 -4.773 321 1HE2 GLN 36 1HE2 GLN 36 15.043 -3.782 -1.122 322 2HE2 GLN 36 2HE2 GLN 36 14.392 -4.630 -2.480 323 H GLN 37 H GLN 37 9.543 -2.557 -3.635 324 HA GLN 37 HA GLN 37 9.827 -5.159 -2.390 325 1HB GLN 37 1HB GLN 37 7.851 -2.910 -2.016 326 2HB GLN 37 2HB GLN 37 7.764 -4.426 -1.132 327 1HG GLN 37 1HG GLN 37 10.129 -2.569 -1.096 328 2HG GLN 37 2HG GLN 37 8.854 -2.585 0.117 329 1HE2 GLN 37 1HE2 GLN 37 9.847 -6.002 1.113 330 2HE2 GLN 37 2HE2 GLN 37 8.432 -5.261 0.458 331 H SER 38 H SER 38 8.048 -3.715 -4.968 332 HA SER 38 HA SER 38 5.864 -5.526 -5.034 333 1HB SER 38 1HB SER 38 6.959 -3.411 -6.768 334 2HB SER 38 2HB SER 38 6.121 -4.702 -7.629 335 HG SER 38 HG SER 38 4.740 -2.962 -6.950 336 H LEU 39 H LEU 39 9.138 -5.632 -6.194 337 HA LEU 39 HA LEU 39 8.732 -7.826 -7.992 338 1HB LEU 39 1HB LEU 39 11.129 -6.393 -6.910 339 2HB LEU 39 2HB LEU 39 11.327 -7.904 -7.777 340 HG LEU 39 HG LEU 39 9.651 -5.935 -9.171 341 1HD1 LEU 39 1HD1 LEU 39 10.967 -4.166 -8.916 342 2HD1 LEU 39 2HD1 LEU 39 12.183 -5.107 -8.053 343 3HD1 LEU 39 3HD1 LEU 39 12.202 -5.048 -9.815 344 1HD2 LEU 39 1HD2 LEU 39 11.426 -8.134 -9.741 345 2HD2 LEU 39 2HD2 LEU 39 10.189 -7.396 -10.756 346 3HD2 LEU 39 3HD2 LEU 39 11.821 -6.730 -10.732 347 H LEU 40 H LEU 40 10.107 -7.481 -4.722 348 HA LEU 40 HA LEU 40 10.627 -10.285 -4.488 349 1HB LEU 40 1HB LEU 40 11.204 -9.813 -2.176 350 2HB LEU 40 2HB LEU 40 11.972 -8.674 -3.264 351 HG LEU 40 HG LEU 40 9.742 -7.281 -2.609 352 1HD1 LEU 40 1HD1 LEU 40 8.792 -7.888 -0.692 353 2HD1 LEU 40 2HD1 LEU 40 9.673 -9.410 -0.827 354 3HD1 LEU 40 3HD1 LEU 40 10.355 -8.077 0.104 355 1HD2 LEU 40 1HD2 LEU 40 11.601 -6.033 -2.347 356 2HD2 LEU 40 2HD2 LEU 40 11.413 -6.471 -0.651 357 3HD2 LEU 40 3HD2 LEU 40 12.532 -7.370 -1.674 358 H LEU 41 H LEU 41 7.795 -8.508 -4.345 359 HA LEU 41 HA LEU 41 6.518 -10.289 -2.414 360 1HB LEU 41 1HB LEU 41 5.745 -7.709 -3.713 361 2HB LEU 41 2HB LEU 41 4.497 -8.751 -3.055 362 HG LEU 41 HG LEU 41 6.836 -7.790 -1.420 363 1HD1 LEU 41 1HD1 LEU 41 4.371 -6.400 -2.219 364 2HD1 LEU 41 2HD1 LEU 41 4.738 -6.365 -0.494 365 3HD1 LEU 41 3HD1 LEU 41 5.913 -5.753 -1.659 366 1HD2 LEU 41 1HD2 LEU 41 5.920 -8.897 0.295 367 2HD2 LEU 41 2HD2 LEU 41 4.284 -8.399 -0.136 368 3HD2 LEU 41 3HD2 LEU 41 5.024 -9.784 -0.939 369 H HIS 42 H HIS 42 7.287 -10.533 -5.552 370 HA HIS 42 HA HIS 42 4.739 -11.536 -6.515 371 1HB HIS 42 1HB HIS 42 6.389 -10.174 -7.924 372 2HB HIS 42 2HB HIS 42 7.371 -11.633 -7.986 373 HD1 HIS 42 HD1 HIS 42 4.059 -10.265 -9.146 374 HD2 HIS 42 HD2 HIS 42 6.504 -13.560 -9.770 375 HE1 HIS 42 HE1 HIS 42 3.071 -11.473 -11.119 376 HE2 HIS 42 HE2 HIS 42 4.536 -13.497 -11.441 377 HA PRO 43 HA PRO 43 5.141 -15.759 -5.313 378 1HB PRO 43 1HB PRO 43 4.412 -16.258 -8.170 379 2HB PRO 43 2HB PRO 43 3.744 -16.973 -6.697 380 1HG PRO 43 1HG PRO 43 2.432 -15.053 -7.992 381 2HG PRO 43 2HG PRO 43 2.449 -15.113 -6.220 382 1HD PRO 43 1HD PRO 43 3.866 -13.262 -8.060 383 2HD PRO 43 2HD PRO 43 3.293 -12.994 -6.404 384 H ASP 44 H ASP 44 6.776 -14.592 -8.205 385 HA ASP 44 HA ASP 44 8.410 -16.965 -8.431 386 1HB ASP 44 1HB ASP 44 7.999 -14.515 -10.009 387 2HB ASP 44 2HB ASP 44 9.645 -15.131 -10.031 388 H LYS 45 H LYS 45 8.602 -13.920 -6.819 389 HA LYS 45 HA LYS 45 11.456 -14.375 -6.272 390 1HB LYS 45 1HB LYS 45 9.765 -11.933 -6.450 391 2HB LYS 45 2HB LYS 45 11.103 -11.919 -5.311 392 1HG LYS 45 1HG LYS 45 11.865 -10.966 -7.352 393 2HG LYS 45 2HG LYS 45 12.617 -12.553 -7.185 394 1HD LYS 45 1HD LYS 45 11.943 -12.715 -9.351 395 2HD LYS 45 2HD LYS 45 10.459 -13.271 -8.576 396 1HE LYS 45 1HE LYS 45 9.804 -10.767 -8.589 397 2HE LYS 45 2HE LYS 45 11.067 -10.611 -9.808 398 1HZ LYS 45 1HZ LYS 45 8.841 -12.556 -10.019 399 2HZ LYS 45 2HZ LYS 45 8.781 -11.005 -10.690 400 3HZ LYS 45 3HZ LYS 45 9.941 -12.112 -11.226 401 H GLY 46 H GLY 46 9.255 -15.800 -4.985 402 1HA GLY 46 1HA GLY 46 8.805 -16.576 -2.869 403 2HA GLY 46 2HA GLY 46 10.152 -15.602 -2.299 404 H GLY 47 H GLY 47 6.998 -14.813 -3.771 405 1HA GLY 47 1HA GLY 47 6.438 -13.167 -1.381 406 2HA GLY 47 2HA GLY 47 6.120 -12.578 -3.006 407 H SER 48 H SER 48 4.160 -12.695 -1.019 408 HA SER 48 HA SER 48 2.537 -15.044 -1.581 409 1HB SER 48 1HB SER 48 2.647 -13.018 0.515 410 2HB SER 48 2HB SER 48 1.001 -13.319 -0.036 411 HG SER 48 HG SER 48 1.572 -14.750 1.631 412 H HIS 49 H HIS 49 0.422 -14.937 -2.444 413 HA HIS 49 HA HIS 49 0.146 -13.117 -4.617 414 1HB HIS 49 1HB HIS 49 -0.798 -15.591 -4.181 415 2HB HIS 49 2HB HIS 49 -2.214 -14.669 -3.687 416 HD1 HIS 49 HD1 HIS 49 -1.913 -12.406 -5.865 417 HD2 HIS 49 HD2 HIS 49 -1.794 -16.497 -6.580 418 HE1 HIS 49 HE1 HIS 49 -2.552 -12.684 -8.281 419 HE2 HIS 49 HE2 HIS 49 -2.375 -15.160 -8.715 420 H ALA 50 H ALA 50 -1.564 -13.536 -1.538 421 HA ALA 50 HA ALA 50 -3.389 -11.415 -1.907 422 1HB ALA 50 1HB ALA 50 -4.079 -11.803 0.266 423 2HB ALA 50 2HB ALA 50 -3.404 -13.365 -0.195 424 3HB ALA 50 3HB ALA 50 -2.464 -12.261 0.807 425 H LEU 51 H LEU 51 -0.139 -11.565 -0.574 426 HA LEU 51 HA LEU 51 -0.119 -8.994 0.596 427 1HB LEU 51 1HB LEU 51 1.897 -11.034 -0.122 428 2HB LEU 51 2HB LEU 51 2.488 -9.390 0.036 429 HG LEU 51 HG LEU 51 1.066 -10.992 2.162 430 1HD1 LEU 51 1HD1 LEU 51 3.147 -10.999 3.314 431 2HD1 LEU 51 2HD1 LEU 51 3.453 -11.560 1.669 432 3HD1 LEU 51 3HD1 LEU 51 3.873 -9.910 2.133 433 1HD2 LEU 51 1HD2 LEU 51 1.939 -8.120 2.066 434 2HD2 LEU 51 2HD2 LEU 51 0.360 -8.776 2.496 435 3HD2 LEU 51 3HD2 LEU 51 1.729 -8.988 3.588 436 H MET 52 H MET 52 1.194 -10.127 -2.525 437 HA MET 52 HA MET 52 2.160 -7.721 -3.472 438 1HB MET 52 1HB MET 52 2.052 -10.197 -4.492 439 2HB MET 52 2HB MET 52 0.768 -9.458 -5.438 440 1HG MET 52 1HG MET 52 3.506 -8.251 -5.216 441 2HG MET 52 2HG MET 52 3.089 -9.444 -6.443 442 1HE MET 52 1HE MET 52 3.293 -5.346 -6.974 443 2HE MET 52 2HE MET 52 2.139 -5.305 -5.640 444 3HE MET 52 3HE MET 52 3.628 -6.238 -5.490 445 H GLN 53 H GLN 53 -1.135 -9.019 -3.771 446 HA GLN 53 HA GLN 53 -2.104 -6.748 -5.210 447 1HB GLN 53 1HB GLN 53 -4.310 -7.728 -4.918 448 2HB GLN 53 2HB GLN 53 -3.159 -8.964 -5.405 449 1HG GLN 53 1HG GLN 53 -3.351 -10.098 -3.471 450 2HG GLN 53 2HG GLN 53 -3.536 -8.636 -2.508 451 1HE2 GLN 53 1HE2 GLN 53 -6.898 -9.961 -4.429 452 2HE2 GLN 53 2HE2 GLN 53 -5.375 -9.931 -5.244 453 H GLU 54 H GLU 54 -1.841 -7.624 -1.839 454 HA GLU 54 HA GLU 54 -3.656 -5.751 -0.772 455 1HB GLU 54 1HB GLU 54 -2.353 -7.723 0.371 456 2HB GLU 54 2HB GLU 54 -1.140 -6.491 0.679 457 1HG GLU 54 1HG GLU 54 -2.549 -5.278 2.070 458 2HG GLU 54 2HG GLU 54 -3.999 -6.056 1.439 459 H LEU 55 H LEU 55 -0.332 -5.521 -1.829 460 HA LEU 55 HA LEU 55 0.219 -2.973 -0.710 461 1HB LEU 55 1HB LEU 55 2.014 -4.443 -1.316 462 2HB LEU 55 2HB LEU 55 1.458 -4.520 -2.976 463 HG LEU 55 HG LEU 55 1.909 -1.940 -2.951 464 1HD1 LEU 55 1HD1 LEU 55 4.194 -2.013 -1.407 465 2HD1 LEU 55 2HD1 LEU 55 2.686 -1.193 -1.002 466 3HD1 LEU 55 3HD1 LEU 55 2.990 -2.825 -0.405 467 1HD2 LEU 55 1HD2 LEU 55 3.247 -4.165 -3.864 468 2HD2 LEU 55 2HD2 LEU 55 3.613 -2.489 -4.282 469 3HD2 LEU 55 3HD2 LEU 55 4.489 -3.285 -2.973 470 H ASN 56 H ASN 56 -0.811 -4.049 -3.937 471 HA ASN 56 HA ASN 56 -0.853 -1.500 -5.129 472 1HB ASN 56 1HB ASN 56 -2.082 -4.148 -5.761 473 2HB ASN 56 2HB ASN 56 -2.657 -2.729 -6.629 474 1HD2 ASN 56 1HD2 ASN 56 1.133 -4.127 -7.228 475 2HD2 ASN 56 2HD2 ASN 56 0.250 -4.542 -5.801 476 H SER 57 H SER 57 -3.202 -3.247 -3.200 477 HA SER 57 HA SER 57 -5.365 -1.440 -3.714 478 1HB SER 57 1HB SER 57 -4.960 -3.545 -1.577 479 2HB SER 57 2HB SER 57 -6.450 -2.622 -1.780 480 HG SER 57 HG SER 57 -5.435 -3.903 -4.035 481 H LEU 58 H LEU 58 -2.821 -1.715 -1.327 482 HA LEU 58 HA LEU 58 -3.924 0.364 0.354 483 1HB LEU 58 1HB LEU 58 -1.406 -1.268 0.401 484 2HB LEU 58 2HB LEU 58 -1.587 0.130 1.443 485 HG LEU 58 HG LEU 58 -3.620 -2.079 1.451 486 1HD1 LEU 58 1HD1 LEU 58 -1.939 -3.430 2.103 487 2HD1 LEU 58 2HD1 LEU 58 -0.883 -2.088 2.541 488 3HD1 LEU 58 3HD1 LEU 58 -2.159 -2.602 3.644 489 1HD2 LEU 58 1HD2 LEU 58 -4.484 -1.043 3.255 490 2HD2 LEU 58 2HD2 LEU 58 -2.902 -0.576 3.878 491 3HD2 LEU 58 3HD2 LEU 58 -3.660 0.369 2.597 492 H TRP 59 H TRP 59 -1.606 0.056 -2.224 493 HA TRP 59 HA TRP 59 -0.490 2.684 -1.827 494 1HB TRP 59 1HB TRP 59 0.952 0.934 -2.669 495 2HB TRP 59 2HB TRP 59 -0.152 0.600 -3.994 496 HD1 TRP 59 HD1 TRP 59 0.433 1.695 -6.216 497 HE1 TRP 59 HE1 TRP 59 1.998 3.584 -6.986 498 HE3 TRP 59 HE3 TRP 59 1.995 3.397 -1.639 499 HZ2 TRP 59 HZ2 TRP 59 3.672 5.525 -5.823 500 HZ3 TRP 59 HZ3 TRP 59 3.585 5.266 -1.570 501 HH2 TRP 59 HH2 TRP 59 4.404 6.310 -3.616 502 H GLY 60 H GLY 60 -3.255 1.355 -3.257 503 1HA GLY 60 1HA GLY 60 -3.547 3.302 -5.370 504 2HA GLY 60 2HA GLY 60 -4.745 2.120 -4.862 505 H THR 61 H THR 61 -5.562 2.593 -2.491 506 HA THR 61 HA THR 61 -7.034 4.964 -2.524 507 HB THR 61 HB THR 61 -7.029 2.775 -0.928 508 HG1 THR 61 HG1 THR 61 -8.862 3.852 -0.833 509 1HG2 THR 61 1HG2 THR 61 -6.725 3.566 1.406 510 2HG2 THR 61 2HG2 THR 61 -5.240 3.261 0.507 511 3HG2 THR 61 3HG2 THR 61 -5.801 4.915 0.753 512 H PHE 62 H PHE 62 -4.115 4.086 -0.837 513 HA PHE 62 HA PHE 62 -3.378 6.351 0.512 514 1HB PHE 62 1HB PHE 62 -2.096 4.270 0.534 515 2HB PHE 62 2HB PHE 62 -1.672 4.491 -1.162 516 HD1 PHE 62 HD1 PHE 62 0.672 4.194 -0.584 517 HD2 PHE 62 HD2 PHE 62 -1.629 7.390 1.043 518 HE1 PHE 62 HE1 PHE 62 2.738 5.336 0.094 519 HE2 PHE 62 HE2 PHE 62 0.441 8.537 1.718 520 HZ PHE 62 HZ PHE 62 2.626 7.505 1.236 521 H LYS 63 H LYS 63 -2.720 5.538 -2.843 522 HA LYS 63 HA LYS 63 -1.399 7.866 -3.625 523 1HB LYS 63 1HB LYS 63 -2.287 5.470 -4.789 524 2HB LYS 63 2HB LYS 63 -3.021 6.739 -5.737 525 1HG LYS 63 1HG LYS 63 -0.817 7.725 -6.125 526 2HG LYS 63 2HG LYS 63 -0.084 6.434 -5.170 527 1HD LYS 63 1HD LYS 63 -1.522 6.202 -7.806 528 2HD LYS 63 2HD LYS 63 0.165 5.827 -7.455 529 1HE LYS 63 1HE LYS 63 -0.642 4.013 -5.926 530 2HE LYS 63 2HE LYS 63 -2.277 4.336 -6.492 531 1HZ LYS 63 1HZ LYS 63 -1.463 3.870 -8.774 532 2HZ LYS 63 2HZ LYS 63 0.017 3.382 -8.115 533 3HZ LYS 63 3HZ LYS 63 -1.397 2.530 -7.742 534 H THR 64 H THR 64 -4.863 7.092 -3.544 535 HA THR 64 HA THR 64 -5.928 9.172 -4.988 536 HB THR 64 HB THR 64 -6.969 8.193 -2.319 537 HG1 THR 64 HG1 THR 64 -7.522 7.222 -4.924 538 1HG2 THR 64 1HG2 THR 64 -9.025 8.709 -4.197 539 2HG2 THR 64 2HG2 THR 64 -8.741 9.464 -2.628 540 3HG2 THR 64 3HG2 THR 64 -8.004 10.143 -4.080 541 H GLU 65 H GLU 65 -4.572 9.179 -1.768 542 HA GLU 65 HA GLU 65 -5.115 12.000 -1.362 543 1HB GLU 65 1HB GLU 65 -3.354 10.267 0.364 544 2HB GLU 65 2HB GLU 65 -4.233 11.720 0.819 545 1HG GLU 65 1HG GLU 65 -5.828 9.411 -0.120 546 2HG GLU 65 2HG GLU 65 -5.052 9.275 1.455 547 H VAL 66 H VAL 66 -2.497 9.876 -2.297 548 HA VAL 66 HA VAL 66 -0.333 11.552 -1.955 549 HB VAL 66 HB VAL 66 -0.748 9.465 -4.072 550 1HG1 VAL 66 1HG1 VAL 66 1.112 10.187 -5.057 551 2HG1 VAL 66 2HG1 VAL 66 1.348 11.417 -3.815 552 3HG1 VAL 66 3HG1 VAL 66 1.991 9.791 -3.581 553 1HG2 VAL 66 1HG2 VAL 66 0.907 9.351 -1.561 554 2HG2 VAL 66 2HG2 VAL 66 -0.766 8.804 -1.640 555 3HG2 VAL 66 3HG2 VAL 66 0.466 8.017 -2.626 556 H TYR 67 H TYR 67 -2.421 11.221 -4.804 557 HA TYR 67 HA TYR 67 -1.144 13.061 -6.453 558 1HB TYR 67 1HB TYR 67 -3.980 12.108 -6.229 559 2HB TYR 67 2HB TYR 67 -3.588 13.419 -7.336 560 HD1 TYR 67 HD1 TYR 67 -3.869 9.932 -7.008 561 HD2 TYR 67 HD2 TYR 67 -1.558 12.930 -8.950 562 HE1 TYR 67 HE1 TYR 67 -3.171 8.289 -8.702 563 HE2 TYR 67 HE2 TYR 67 -0.855 11.297 -10.648 564 HH TYR 67 HH TYR 67 -1.854 9.080 -11.595 565 H ASN 68 H ASN 68 -3.281 13.535 -3.744 566 HA ASN 68 HA ASN 68 -3.522 16.388 -4.248 567 1HB ASN 68 1HB ASN 68 -4.771 14.475 -2.310 568 2HB ASN 68 2HB ASN 68 -4.819 16.205 -1.986 569 1HD2 ASN 68 1HD2 ASN 68 -7.645 14.731 -4.189 570 2HD2 ASN 68 2HD2 ASN 68 -6.742 13.946 -2.942 571 H LEU 69 H LEU 69 -1.612 14.218 -2.310 572 HA LEU 69 HA LEU 69 -0.932 16.027 -0.253 573 1HB LEU 69 1HB LEU 69 0.516 14.436 0.522 574 2HB LEU 69 2HB LEU 69 -0.525 13.441 -0.469 575 HG LEU 69 HG LEU 69 1.230 13.682 -2.310 576 1HD1 LEU 69 1HD1 LEU 69 2.880 15.129 -1.933 577 2HD1 LEU 69 2HD1 LEU 69 2.426 15.307 -0.238 578 3HD1 LEU 69 3HD1 LEU 69 3.499 13.999 -0.729 579 1HD2 LEU 69 1HD2 LEU 69 1.900 12.253 0.261 580 2HD2 LEU 69 2HD2 LEU 69 0.961 11.616 -1.084 581 3HD2 LEU 69 3HD2 LEU 69 2.677 11.948 -1.291 582 H ARG 70 H ARG 70 -0.041 15.925 -3.541 583 HA ARG 70 HA ARG 70 2.480 17.240 -3.246 584 1HB ARG 70 1HB ARG 70 0.729 16.594 -5.591 585 2HB ARG 70 2HB ARG 70 2.128 17.641 -5.781 586 1HG ARG 70 1HG ARG 70 3.619 15.945 -5.455 587 2HG ARG 70 2HG ARG 70 2.512 15.020 -4.437 588 1HD ARG 70 1HD ARG 70 1.992 13.767 -6.193 589 2HD ARG 70 2HD ARG 70 1.320 15.190 -6.986 590 HE ARG 70 HE ARG 70 3.883 13.948 -7.500 591 1HH1 ARG 70 1HH1 ARG 70 2.784 17.369 -9.273 592 2HH1 ARG 70 2HH1 ARG 70 1.900 16.794 -7.900 593 1HH2 ARG 70 1HH2 ARG 70 4.572 16.187 -10.068 594 2HH2 ARG 70 2HH2 ARG 70 5.051 14.710 -9.302 595 H MET 71 H MET 71 -0.463 18.314 -2.626 596 HA MET 71 HA MET 71 0.025 21.030 -3.629 597 1HB MET 71 1HB MET 71 -2.557 19.902 -2.538 598 2HB MET 71 2HB MET 71 -2.336 21.454 -3.334 599 1HG MET 71 1HG MET 71 -1.400 19.737 -5.224 600 2HG MET 71 2HG MET 71 -2.677 18.781 -4.470 601 1HE MET 71 1HE MET 71 -3.194 22.728 -6.769 602 2HE MET 71 2HE MET 71 -2.258 22.670 -5.275 603 3HE MET 71 3HE MET 71 -1.725 21.756 -6.684 604 H ASN 72 H ASN 72 -0.500 19.094 -0.770 605 HA ASN 72 HA ASN 72 -0.742 21.318 1.025 606 1HB ASN 72 1HB ASN 72 -0.159 18.399 1.573 607 2HB ASN 72 2HB ASN 72 -0.535 19.603 2.801 608 1HD2 ASN 72 1HD2 ASN 72 -3.957 19.388 2.398 609 2HD2 ASN 72 2HD2 ASN 72 -2.602 20.045 3.245 610 H LEU 73 H LEU 73 0.913 22.645 1.364 611 HA LEU 73 HA LEU 73 3.596 21.470 1.694 612 1HB LEU 73 1HB LEU 73 3.267 22.906 -0.347 613 2HB LEU 73 2HB LEU 73 2.984 24.260 0.730 614 HG LEU 73 HG LEU 73 5.382 23.328 1.654 615 1HD1 LEU 73 1HD1 LEU 73 5.199 21.822 -0.508 616 2HD1 LEU 73 2HD1 LEU 73 5.811 23.283 -1.284 617 3HD1 LEU 73 3HD1 LEU 73 6.735 22.519 0.010 618 1HD2 LEU 73 1HD2 LEU 73 4.366 25.619 0.399 619 2HD2 LEU 73 2HD2 LEU 73 5.893 25.454 1.264 620 3HD2 LEU 73 3HD2 LEU 73 5.836 25.199 -0.480 621 H GLY 74 H GLY 74 3.008 21.226 3.961 622 1HA GLY 74 1HA GLY 74 2.800 23.735 5.465 623 2HA GLY 74 2HA GLY 74 2.494 22.125 6.099 624 H GLY 75 H GLY 75 4.717 24.651 5.878 625 1HA GLY 75 1HA GLY 75 7.130 23.145 6.179 626 2HA GLY 75 2HA GLY 75 6.937 24.869 6.461 627 H THR 76 H THR 76 8.114 24.923 8.350 628 HA THR 76 HA THR 76 7.820 23.131 10.496 629 HB THR 76 HB THR 76 9.784 24.434 10.483 630 HG1 THR 76 HG1 THR 76 9.663 25.551 12.467 631 1HG2 THR 76 1HG2 THR 76 9.420 27.026 10.906 632 2HG2 THR 76 2HG2 THR 76 9.580 26.340 9.289 633 3HG2 THR 76 3HG2 THR 76 7.981 26.709 9.936 634 H GLY 77 H GLY 77 6.800 23.409 12.534 635 1HA GLY 77 1HA GLY 77 4.486 25.250 12.463 636 2HA GLY 77 2HA GLY 77 4.372 23.606 13.078 637 H PHE 78 H PHE 78 6.204 23.186 14.813 638 HA PHE 78 HA PHE 78 5.730 25.166 16.885 639 1HB PHE 78 1HB PHE 78 6.522 22.318 16.798 640 2HB PHE 78 2HB PHE 78 7.215 23.261 18.113 641 HD1 PHE 78 HD1 PHE 78 4.297 21.587 16.871 642 HD2 PHE 78 HD2 PHE 78 5.666 24.489 19.667 643 HE1 PHE 78 HE1 PHE 78 2.204 21.345 18.140 644 HE2 PHE 78 HE2 PHE 78 3.575 24.252 20.941 645 HZ PHE 78 HZ PHE 78 1.840 22.678 20.179 646 H GLN 79 H GLN 79 7.101 26.783 17.186 647 HA GLN 79 HA GLN 79 9.965 26.277 17.123 648 1HB GLN 79 1HB GLN 79 8.515 28.033 15.201 649 2HB GLN 79 2HB GLN 79 10.070 28.587 15.806 650 1HG GLN 79 1HG GLN 79 9.572 25.957 14.430 651 2HG GLN 79 2HG GLN 79 10.262 27.394 13.678 652 1HE2 GLN 79 1HE2 GLN 79 13.254 27.132 15.781 653 2HE2 GLN 79 2HE2 GLN 79 12.019 28.299 15.476 Start of MODEL 37 1 1H MET 1 1H MET 1 -20.027 3.198 -0.204 2 2H MET 1 2H MET 1 -19.271 4.715 -0.472 3 3H MET 1 3H MET 1 -20.050 3.901 -1.766 4 HA MET 1 HA MET 1 -18.322 2.060 -0.905 5 1HB MET 1 1HB MET 1 -18.707 3.845 -3.160 6 2HB MET 1 2HB MET 1 -17.000 3.500 -2.916 7 1HG MET 1 1HG MET 1 -17.986 1.021 -2.700 8 2HG MET 1 2HG MET 1 -19.194 1.727 -3.772 9 1HE MET 1 1HE MET 1 -18.183 1.732 -6.907 10 2HE MET 1 2HE MET 1 -18.900 2.809 -5.708 11 3HE MET 1 3HE MET 1 -17.384 3.249 -6.494 12 H ASP 2 H ASP 2 -17.545 2.764 1.207 13 HA ASP 2 HA ASP 2 -15.720 4.970 1.388 14 1HB ASP 2 1HB ASP 2 -17.205 3.792 3.239 15 2HB ASP 2 2HB ASP 2 -15.766 2.796 3.435 16 H ARG 3 H ARG 3 -13.645 4.970 0.828 17 HA ARG 3 HA ARG 3 -12.144 2.451 0.941 18 1HB ARG 3 1HB ARG 3 -11.963 4.379 -1.376 19 2HB ARG 3 2HB ARG 3 -11.140 2.833 -1.217 20 1HG ARG 3 1HG ARG 3 -13.880 2.289 -0.942 21 2HG ARG 3 2HG ARG 3 -13.728 3.413 -2.295 22 1HD ARG 3 1HD ARG 3 -11.654 1.566 -2.617 23 2HD ARG 3 2HD ARG 3 -13.060 0.613 -2.148 24 HE ARG 3 HE ARG 3 -14.116 2.122 -4.051 25 1HH1 ARG 3 1HH1 ARG 3 -11.036 0.173 -5.716 26 2HH1 ARG 3 2HH1 ARG 3 -11.064 0.419 -4.003 27 1HH2 ARG 3 1HH2 ARG 3 -12.745 0.950 -7.021 28 2HH2 ARG 3 2HH2 ARG 3 -14.077 1.791 -6.302 29 H VAL 4 H VAL 4 -11.551 3.706 2.981 30 HA VAL 4 HA VAL 4 -9.124 5.235 2.390 31 HB VAL 4 HB VAL 4 -9.603 6.809 4.242 32 1HG1 VAL 4 1HG1 VAL 4 -11.628 6.784 2.007 33 2HG1 VAL 4 2HG1 VAL 4 -11.235 8.177 3.014 34 3HG1 VAL 4 3HG1 VAL 4 -10.011 7.486 1.951 35 1HG2 VAL 4 1HG2 VAL 4 -11.653 6.938 5.334 36 2HG2 VAL 4 2HG2 VAL 4 -12.468 5.937 4.134 37 3HG2 VAL 4 3HG2 VAL 4 -11.338 5.206 5.271 38 H LEU 5 H LEU 5 -7.434 4.465 3.441 39 HA LEU 5 HA LEU 5 -7.826 2.501 5.534 40 1HB LEU 5 1HB LEU 5 -5.237 2.431 5.360 41 2HB LEU 5 2HB LEU 5 -6.230 1.695 4.134 42 HG LEU 5 HG LEU 5 -5.877 3.604 2.679 43 1HD1 LEU 5 1HD1 LEU 5 -5.478 5.525 3.695 44 2HD1 LEU 5 2HD1 LEU 5 -4.768 4.741 5.107 45 3HD1 LEU 5 3HD1 LEU 5 -3.793 5.009 3.663 46 1HD2 LEU 5 1HD2 LEU 5 -3.128 3.258 3.024 47 2HD2 LEU 5 2HD2 LEU 5 -3.879 1.759 3.573 48 3HD2 LEU 5 3HD2 LEU 5 -4.200 2.363 1.947 49 H SER 6 H SER 6 -7.006 2.573 7.584 50 HA SER 6 HA SER 6 -6.771 5.252 8.687 51 1HB SER 6 1HB SER 6 -7.092 4.198 10.842 52 2HB SER 6 2HB SER 6 -8.270 3.528 9.713 53 HG SER 6 HG SER 6 -7.455 1.742 10.569 54 H ARG 7 H ARG 7 -5.249 4.878 10.914 55 HA ARG 7 HA ARG 7 -2.625 5.166 9.922 56 1HB ARG 7 1HB ARG 7 -3.443 4.594 12.776 57 2HB ARG 7 2HB ARG 7 -1.943 5.337 12.237 58 1HG ARG 7 1HG ARG 7 -2.954 7.350 11.759 59 2HG ARG 7 2HG ARG 7 -4.548 6.621 11.558 60 1HD ARG 7 1HD ARG 7 -4.015 6.037 14.159 61 2HD ARG 7 2HD ARG 7 -3.200 7.590 13.981 62 HE ARG 7 HE ARG 7 -5.985 7.166 14.163 63 1HH1 ARG 7 1HH1 ARG 7 -4.726 10.438 12.226 64 2HH1 ARG 7 2HH1 ARG 7 -3.637 9.114 12.469 65 1HH2 ARG 7 1HH2 ARG 7 -6.874 10.321 13.007 66 2HH2 ARG 7 2HH2 ARG 7 -7.419 8.906 13.845 67 H ALA 8 H ALA 8 -4.375 2.462 11.303 68 HA ALA 8 HA ALA 8 -2.131 0.768 11.685 69 1HB ALA 8 1HB ALA 8 -4.756 -0.477 11.166 70 2HB ALA 8 2HB ALA 8 -3.610 -0.743 12.480 71 3HB ALA 8 3HB ALA 8 -4.679 0.660 12.511 72 H ASP 9 H ASP 9 -4.368 1.277 8.992 73 HA ASP 9 HA ASP 9 -3.281 -0.907 7.469 74 1HB ASP 9 1HB ASP 9 -5.035 1.342 6.492 75 2HB ASP 9 2HB ASP 9 -4.794 -0.220 5.725 76 H LYS 10 H LYS 10 -3.157 2.661 7.173 77 HA LYS 10 HA LYS 10 -1.439 2.737 4.969 78 1HB LYS 10 1HB LYS 10 -0.958 5.029 5.567 79 2HB LYS 10 2HB LYS 10 -2.661 4.711 5.858 80 1HG LYS 10 1HG LYS 10 -2.407 5.503 7.906 81 2HG LYS 10 2HG LYS 10 -1.354 4.138 8.263 82 1HD LYS 10 1HD LYS 10 -0.248 6.533 6.871 83 2HD LYS 10 2HD LYS 10 -0.496 6.572 8.617 84 1HE LYS 10 1HE LYS 10 0.793 4.337 8.622 85 2HE LYS 10 2HE LYS 10 1.315 4.808 7.005 86 1HZ LYS 10 1HZ LYS 10 2.633 5.472 9.198 87 2HZ LYS 10 2HZ LYS 10 2.633 6.435 7.807 88 3HZ LYS 10 3HZ LYS 10 1.603 6.812 9.096 89 H GLU 11 H GLU 11 -0.818 2.272 8.374 90 HA GLU 11 HA GLU 11 2.017 2.565 8.225 91 1HB GLU 11 1HB GLU 11 0.762 2.788 10.345 92 2HB GLU 11 2HB GLU 11 0.336 1.084 10.262 93 1HG GLU 11 1HG GLU 11 2.159 1.433 11.808 94 2HG GLU 11 2HG GLU 11 2.698 0.484 10.424 95 H ARG 12 H ARG 12 -0.271 -0.010 7.725 96 HA ARG 12 HA ARG 12 1.497 -2.207 7.793 97 1HB ARG 12 1HB ARG 12 -1.104 -2.137 7.731 98 2HB ARG 12 2HB ARG 12 -0.903 -2.070 5.987 99 1HG ARG 12 1HG ARG 12 0.093 -4.198 5.915 100 2HG ARG 12 2HG ARG 12 0.344 -4.225 7.661 101 1HD ARG 12 1HD ARG 12 -1.740 -4.946 8.067 102 2HD ARG 12 2HD ARG 12 -2.448 -3.865 6.868 103 HE ARG 12 HE ARG 12 -2.404 -5.574 5.348 104 1HH1 ARG 12 1HH1 ARG 12 -0.102 -8.035 7.514 105 2HH1 ARG 12 2HH1 ARG 12 -0.351 -6.407 8.045 106 1HH2 ARG 12 1HH2 ARG 12 -1.082 -8.780 5.585 107 2HH2 ARG 12 2HH2 ARG 12 -2.079 -7.717 4.649 108 H LEU 13 H LEU 13 0.580 0.097 5.324 109 HA LEU 13 HA LEU 13 1.768 -1.170 3.100 110 1HB LEU 13 1HB LEU 13 0.176 0.574 2.751 111 2HB LEU 13 2HB LEU 13 1.086 1.694 3.736 112 HG LEU 13 HG LEU 13 2.907 1.231 1.812 113 1HD1 LEU 13 1HD1 LEU 13 0.695 1.492 -0.037 114 2HD1 LEU 13 2HD1 LEU 13 2.105 0.436 -0.106 115 3HD1 LEU 13 3HD1 LEU 13 0.674 -0.063 0.795 116 1HD2 LEU 13 1HD2 LEU 13 2.384 3.369 1.009 117 2HD2 LEU 13 2HD2 LEU 13 0.666 3.180 1.369 118 3HD2 LEU 13 3HD2 LEU 13 1.830 3.371 2.685 119 H LEU 14 H LEU 14 2.937 1.033 5.562 120 HA LEU 14 HA LEU 14 5.451 1.590 4.400 121 1HB LEU 14 1HB LEU 14 4.338 1.781 7.176 122 2HB LEU 14 2HB LEU 14 6.032 2.118 6.870 123 HG LEU 14 HG LEU 14 3.636 3.608 5.814 124 1HD1 LEU 14 1HD1 LEU 14 4.173 5.250 7.261 125 2HD1 LEU 14 2HD1 LEU 14 4.926 3.926 8.150 126 3HD1 LEU 14 3HD1 LEU 14 5.907 4.961 7.113 127 1HD2 LEU 14 1HD2 LEU 14 5.859 5.002 4.996 128 2HD2 LEU 14 2HD2 LEU 14 6.300 3.329 4.667 129 3HD2 LEU 14 3HD2 LEU 14 4.831 4.005 3.969 130 H GLU 15 H GLU 15 4.360 -0.873 6.695 131 HA GLU 15 HA GLU 15 6.806 -1.952 7.433 132 1HB GLU 15 1HB GLU 15 4.163 -2.580 7.884 133 2HB GLU 15 2HB GLU 15 4.731 -3.970 6.971 134 1HG GLU 15 1HG GLU 15 6.363 -4.493 8.581 135 2HG GLU 15 2HG GLU 15 6.194 -2.926 9.373 136 H LEU 16 H LEU 16 4.787 -2.719 4.629 137 HA LEU 16 HA LEU 16 6.685 -4.637 3.608 138 1HB LEU 16 1HB LEU 16 4.094 -3.503 2.602 139 2HB LEU 16 2HB LEU 16 5.107 -4.495 1.571 140 HG LEU 16 HG LEU 16 4.840 -5.955 3.947 141 1HD1 LEU 16 1HD1 LEU 16 2.058 -5.430 3.121 142 2HD1 LEU 16 2HD1 LEU 16 2.718 -5.840 4.704 143 3HD1 LEU 16 3HD1 LEU 16 2.832 -4.186 4.101 144 1HD2 LEU 16 1HD2 LEU 16 2.992 -6.647 1.784 145 2HD2 LEU 16 2HD2 LEU 16 4.657 -6.385 1.261 146 3HD2 LEU 16 3HD2 LEU 16 4.301 -7.584 2.505 147 H LEU 17 H LEU 17 6.280 -1.264 3.451 148 HA LEU 17 HA LEU 17 7.623 -0.961 0.896 149 1HB LEU 17 1HB LEU 17 6.200 0.808 2.791 150 2HB LEU 17 2HB LEU 17 7.469 1.546 1.837 151 HG LEU 17 HG LEU 17 5.001 1.606 1.005 152 1HD1 LEU 17 1HD1 LEU 17 6.476 2.589 -0.424 153 2HD1 LEU 17 2HD1 LEU 17 7.496 1.157 -0.537 154 3HD1 LEU 17 3HD1 LEU 17 5.965 1.216 -1.402 155 1HD2 LEU 17 1HD2 LEU 17 5.457 -1.193 0.962 156 2HD2 LEU 17 2HD2 LEU 17 4.031 -0.303 0.441 157 3HD2 LEU 17 3HD2 LEU 17 5.328 -0.639 -0.706 158 H LYS 18 H LYS 18 8.629 -1.546 4.003 159 HA LYS 18 HA LYS 18 10.587 -1.254 5.133 160 1HB LYS 18 1HB LYS 18 11.251 -1.663 2.336 161 2HB LYS 18 2HB LYS 18 12.473 -0.712 3.164 162 1HG LYS 18 1HG LYS 18 13.250 -2.846 3.497 163 2HG LYS 18 2HG LYS 18 12.311 -2.587 4.968 164 1HD LYS 18 1HD LYS 18 10.759 -3.671 2.733 165 2HD LYS 18 2HD LYS 18 12.057 -4.730 3.288 166 1HE LYS 18 1HE LYS 18 10.206 -3.453 5.260 167 2HE LYS 18 2HE LYS 18 9.703 -4.894 4.379 168 1HZ LYS 18 1HZ LYS 18 11.753 -5.985 5.205 169 2HZ LYS 18 2HZ LYS 18 12.058 -4.627 6.166 170 3HZ LYS 18 3HZ LYS 18 10.674 -5.559 6.437 171 H LEU 19 H LEU 19 8.959 1.116 4.198 172 HA LEU 19 HA LEU 19 10.986 3.210 4.498 173 1HB LEU 19 1HB LEU 19 9.668 3.192 2.390 174 2HB LEU 19 2HB LEU 19 8.205 3.388 3.333 175 HG LEU 19 HG LEU 19 10.246 5.433 3.849 176 1HD1 LEU 19 1HD1 LEU 19 9.922 4.711 1.185 177 2HD1 LEU 19 2HD1 LEU 19 8.874 6.112 1.398 178 3HD1 LEU 19 3HD1 LEU 19 10.587 6.223 1.802 179 1HD2 LEU 19 1HD2 LEU 19 7.946 6.685 3.133 180 2HD2 LEU 19 2HD2 LEU 19 7.333 5.132 3.699 181 3HD2 LEU 19 3HD2 LEU 19 8.320 6.132 4.765 182 HA PRO 20 HA PRO 20 9.252 3.377 8.670 183 1HB PRO 20 1HB PRO 20 10.792 5.920 8.628 184 2HB PRO 20 2HB PRO 20 10.793 4.620 9.824 185 1HG PRO 20 1HG PRO 20 12.808 4.926 8.090 186 2HG PRO 20 2HG PRO 20 12.261 3.321 8.607 187 1HD PRO 20 1HD PRO 20 11.841 4.730 6.027 188 2HD PRO 20 2HD PRO 20 11.993 2.994 6.357 189 H ARG 21 H ARG 21 8.136 5.044 9.975 190 HA ARG 21 HA ARG 21 6.233 6.490 8.324 191 1HB ARG 21 1HB ARG 21 5.004 6.818 10.442 192 2HB ARG 21 2HB ARG 21 5.347 5.123 10.125 193 1HG ARG 21 1HG ARG 21 6.208 4.985 12.160 194 2HG ARG 21 2HG ARG 21 7.515 6.046 11.627 195 1HD ARG 21 1HD ARG 21 6.657 7.853 12.683 196 2HD ARG 21 2HD ARG 21 4.991 7.376 12.364 197 HE ARG 21 HE ARG 21 6.569 5.977 14.411 198 1HH1 ARG 21 1HH1 ARG 21 3.029 7.735 15.073 199 2HH1 ARG 21 2HH1 ARG 21 3.805 7.938 13.540 200 1HH2 ARG 21 1HH2 ARG 21 4.013 6.480 16.707 201 2HH2 ARG 21 2HH2 ARG 21 5.542 5.719 16.422 202 H GLN 22 H GLN 22 9.135 7.134 9.827 203 HA GLN 22 HA GLN 22 8.684 9.730 10.870 204 1HB GLN 22 1HB GLN 22 10.619 8.142 11.359 205 2HB GLN 22 2HB GLN 22 11.304 8.668 9.829 206 1HG GLN 22 1HG GLN 22 10.549 10.929 11.443 207 2HG GLN 22 2HG GLN 22 11.629 9.852 12.326 208 1HE2 GLN 22 1HE2 GLN 22 14.402 11.178 10.782 209 2HE2 GLN 22 2HE2 GLN 22 13.634 10.531 12.188 210 H LEU 23 H LEU 23 9.560 8.488 7.729 211 HA LEU 23 HA LEU 23 9.707 11.228 6.699 212 1HB LEU 23 1HB LEU 23 10.993 10.437 4.872 213 2HB LEU 23 2HB LEU 23 11.677 9.756 6.328 214 HG LEU 23 HG LEU 23 11.745 8.118 4.569 215 1HD1 LEU 23 1HD1 LEU 23 11.208 7.332 6.876 216 2HD1 LEU 23 2HD1 LEU 23 9.512 7.297 6.400 217 3HD1 LEU 23 3HD1 LEU 23 10.672 6.251 5.585 218 1HD2 LEU 23 1HD2 LEU 23 8.781 8.056 4.373 219 2HD2 LEU 23 2HD2 LEU 23 9.713 9.207 3.413 220 3HD2 LEU 23 3HD2 LEU 23 9.997 7.480 3.238 221 H TRP 24 H TRP 24 7.363 9.243 7.236 222 HA TRP 24 HA TRP 24 6.046 8.511 4.940 223 1HB TRP 24 1HB TRP 24 5.214 7.916 7.119 224 2HB TRP 24 2HB TRP 24 4.961 9.602 7.541 225 HD1 TRP 24 HD1 TRP 24 2.678 10.687 6.871 226 HE1 TRP 24 HE1 TRP 24 0.510 9.764 5.833 227 HE3 TRP 24 HE3 TRP 24 4.389 6.130 5.318 228 HZ2 TRP 24 HZ2 TRP 24 -0.361 7.409 4.537 229 HZ3 TRP 24 HZ3 TRP 24 2.825 4.598 4.186 230 HH2 TRP 24 HH2 TRP 24 0.501 5.232 3.803 231 H GLY 25 H GLY 25 6.044 9.832 3.176 232 1HA GLY 25 1HA GLY 25 4.188 11.655 2.597 233 2HA GLY 25 2HA GLY 25 5.344 12.647 3.469 234 H ASP 26 H ASP 26 7.557 10.891 2.339 235 HA ASP 26 HA ASP 26 8.033 12.503 0.006 236 1HB ASP 26 1HB ASP 26 9.777 11.743 1.714 237 2HB ASP 26 2HB ASP 26 9.707 10.169 0.925 238 H PHE 27 H PHE 27 6.432 11.873 -1.478 239 HA PHE 27 HA PHE 27 5.690 9.344 -2.237 240 1HB PHE 27 1HB PHE 27 4.619 11.422 -3.039 241 2HB PHE 27 2HB PHE 27 5.998 11.697 -4.100 242 HD1 PHE 27 HD1 PHE 27 4.214 8.527 -3.348 243 HD2 PHE 27 HD2 PHE 27 5.129 11.505 -6.248 244 HE1 PHE 27 HE1 PHE 27 3.145 7.156 -5.088 245 HE2 PHE 27 HE2 PHE 27 4.058 10.139 -7.992 246 HZ PHE 27 HZ PHE 27 3.065 7.961 -7.413 247 H GLY 28 H GLY 28 8.549 11.129 -3.254 248 1HA GLY 28 1HA GLY 28 9.299 9.406 -5.364 249 2HA GLY 28 2HA GLY 28 10.364 10.511 -4.514 250 H ARG 29 H ARG 29 10.119 9.379 -1.916 251 HA ARG 29 HA ARG 29 11.973 7.208 -2.222 252 1HB ARG 29 1HB ARG 29 10.974 8.879 0.002 253 2HB ARG 29 2HB ARG 29 11.495 7.258 0.435 254 1HG ARG 29 1HG ARG 29 13.488 8.266 -1.252 255 2HG ARG 29 2HG ARG 29 13.070 9.581 -0.151 256 1HD ARG 29 1HD ARG 29 13.169 7.484 1.563 257 2HD ARG 29 2HD ARG 29 14.388 7.005 0.384 258 HE ARG 29 HE ARG 29 14.546 9.179 2.270 259 1HH1 ARG 29 1HH1 ARG 29 17.274 8.733 -0.629 260 2HH1 ARG 29 2HH1 ARG 29 15.775 7.873 -0.726 261 1HH2 ARG 29 1HH2 ARG 29 17.695 10.117 1.143 262 2HH2 ARG 29 2HH2 ARG 29 16.517 10.310 2.396 263 H MET 30 H MET 30 8.654 7.529 -0.989 264 HA MET 30 HA MET 30 8.372 4.869 -0.129 265 1HB MET 30 1HB MET 30 5.936 5.278 -0.267 266 2HB MET 30 2HB MET 30 6.796 6.555 0.579 267 1HG MET 30 1HG MET 30 6.685 7.964 -1.381 268 2HG MET 30 2HG MET 30 5.897 6.678 -2.287 269 1HE MET 30 1HE MET 30 4.157 8.903 1.306 270 2HE MET 30 2HE MET 30 4.670 7.240 1.593 271 3HE MET 30 3HE MET 30 5.835 8.439 1.030 272 H GLN 31 H GLN 31 7.623 6.394 -3.245 273 HA GLN 31 HA GLN 31 6.523 4.103 -4.459 274 1HB GLN 31 1HB GLN 31 6.358 6.473 -5.309 275 2HB GLN 31 2HB GLN 31 8.018 6.317 -5.867 276 1HG GLN 31 1HG GLN 31 7.222 4.293 -7.181 277 2HG GLN 31 2HG GLN 31 5.587 4.848 -6.826 278 1HE2 GLN 31 1HE2 GLN 31 6.182 7.958 -8.681 279 2HE2 GLN 31 2HE2 GLN 31 5.743 7.511 -7.071 280 H GLN 32 H GLN 32 9.824 5.293 -4.170 281 HA GLN 32 HA GLN 32 11.058 3.524 -5.963 282 1HB GLN 32 1HB GLN 32 12.078 5.561 -4.822 283 2HB GLN 32 2HB GLN 32 12.308 4.536 -3.411 284 1HG GLN 32 1HG GLN 32 14.355 4.454 -4.492 285 2HG GLN 32 2HG GLN 32 13.559 2.963 -4.995 286 1HE2 GLN 32 1HE2 GLN 32 15.112 4.630 -7.930 287 2HE2 GLN 32 2HE2 GLN 32 15.680 4.095 -6.389 288 H ALA 33 H ALA 33 10.002 3.155 -2.651 289 HA ALA 33 HA ALA 33 11.312 0.611 -2.298 290 1HB ALA 33 1HB ALA 33 9.265 0.986 -0.363 291 2HB ALA 33 2HB ALA 33 11.011 1.095 -0.154 292 3HB ALA 33 3HB ALA 33 10.086 2.528 -0.604 293 H TYR 34 H TYR 34 8.015 1.771 -2.932 294 HA TYR 34 HA TYR 34 6.615 -0.607 -2.750 295 1HB TYR 34 1HB TYR 34 5.495 1.536 -3.168 296 2HB TYR 34 2HB TYR 34 6.215 1.615 -4.771 297 HD1 TYR 34 HD1 TYR 34 3.365 0.596 -2.907 298 HD2 TYR 34 HD2 TYR 34 5.662 -0.360 -6.370 299 HE1 TYR 34 HE1 TYR 34 1.466 -0.665 -3.834 300 HE2 TYR 34 HE2 TYR 34 3.757 -1.600 -7.300 301 HH TYR 34 HH TYR 34 0.658 -1.333 -6.170 302 H LYS 35 H LYS 35 8.538 0.666 -5.410 303 HA LYS 35 HA LYS 35 7.989 -1.497 -7.194 304 1HB LYS 35 1HB LYS 35 10.076 0.682 -7.172 305 2HB LYS 35 2HB LYS 35 9.993 -0.536 -8.437 306 1HG LYS 35 1HG LYS 35 7.406 0.433 -8.277 307 2HG LYS 35 2HG LYS 35 8.416 1.863 -8.063 308 1HD LYS 35 1HD LYS 35 8.481 1.883 -10.310 309 2HD LYS 35 2HD LYS 35 9.686 0.608 -10.118 310 1HE LYS 35 1HE LYS 35 6.744 0.026 -10.316 311 2HE LYS 35 2HE LYS 35 7.772 0.168 -11.741 312 1HZ LYS 35 1HZ LYS 35 7.355 -2.106 -10.362 313 2HZ LYS 35 2HZ LYS 35 8.682 -1.824 -11.370 314 3HZ LYS 35 3HZ LYS 35 8.822 -1.580 -9.703 315 H GLN 36 H GLN 36 10.440 -0.765 -4.803 316 HA GLN 36 HA GLN 36 12.320 -2.730 -5.498 317 1HB GLN 36 1HB GLN 36 12.082 -0.775 -3.529 318 2HB GLN 36 2HB GLN 36 12.132 -2.284 -2.628 319 1HG GLN 36 1HG GLN 36 14.352 -1.351 -2.886 320 2HG GLN 36 2HG GLN 36 14.216 -2.888 -3.736 321 1HE2 GLN 36 1HE2 GLN 36 15.082 -1.593 -6.816 322 2HE2 GLN 36 2HE2 GLN 36 14.746 -2.964 -5.818 323 H GLN 37 H GLN 37 9.477 -2.831 -3.393 324 HA GLN 37 HA GLN 37 9.951 -5.595 -2.691 325 1HB GLN 37 1HB GLN 37 7.965 -3.511 -1.946 326 2HB GLN 37 2HB GLN 37 7.493 -5.194 -1.758 327 1HG GLN 37 1HG GLN 37 10.116 -4.804 -0.685 328 2HG GLN 37 2HG GLN 37 9.009 -3.615 -0.005 329 1HE2 GLN 37 1HE2 GLN 37 8.831 -6.468 2.232 330 2HE2 GLN 37 2HE2 GLN 37 9.944 -5.224 1.785 331 H SER 38 H SER 38 8.235 -3.835 -5.105 332 HA SER 38 HA SER 38 6.246 -5.719 -5.754 333 1HB SER 38 1HB SER 38 7.533 -3.425 -7.177 334 2HB SER 38 2HB SER 38 6.528 -4.541 -8.103 335 HG SER 38 HG SER 38 5.417 -2.689 -7.163 336 H LEU 39 H LEU 39 9.643 -5.537 -6.506 337 HA LEU 39 HA LEU 39 9.515 -7.458 -8.642 338 1HB LEU 39 1HB LEU 39 11.699 -6.025 -7.197 339 2HB LEU 39 2HB LEU 39 12.100 -7.443 -8.146 340 HG LEU 39 HG LEU 39 10.730 -4.975 -9.219 341 1HD1 LEU 39 1HD1 LEU 39 13.181 -4.809 -8.488 342 2HD1 LEU 39 2HD1 LEU 39 13.517 -5.877 -9.850 343 3HD1 LEU 39 3HD1 LEU 39 12.770 -4.304 -10.126 344 1HD2 LEU 39 1HD2 LEU 39 10.969 -5.944 -11.377 345 2HD2 LEU 39 2HD2 LEU 39 11.914 -7.289 -10.738 346 3HD2 LEU 39 3HD2 LEU 39 10.200 -7.155 -10.351 347 H LEU 40 H LEU 40 10.108 -7.541 -5.191 348 HA LEU 40 HA LEU 40 10.937 -10.324 -5.311 349 1HB LEU 40 1HB LEU 40 11.032 -10.101 -2.791 350 2HB LEU 40 2HB LEU 40 12.166 -9.140 -3.717 351 HG LEU 40 HG LEU 40 10.176 -7.340 -3.426 352 1HD1 LEU 40 1HD1 LEU 40 10.135 -8.308 -0.675 353 2HD1 LEU 40 2HD1 LEU 40 8.832 -7.662 -1.673 354 3HD1 LEU 40 3HD1 LEU 40 9.285 -9.361 -1.806 355 1HD2 LEU 40 1HD2 LEU 40 11.679 -6.210 -2.153 356 2HD2 LEU 40 2HD2 LEU 40 12.002 -7.595 -1.110 357 3HD2 LEU 40 3HD2 LEU 40 12.741 -7.503 -2.708 358 H LEU 41 H LEU 41 8.035 -8.581 -5.011 359 HA LEU 41 HA LEU 41 6.673 -10.766 -3.630 360 1HB LEU 41 1HB LEU 41 5.911 -7.970 -4.384 361 2HB LEU 41 2HB LEU 41 4.660 -9.147 -4.036 362 HG LEU 41 HG LEU 41 6.864 -8.360 -2.127 363 1HD1 LEU 41 1HD1 LEU 41 5.626 -6.522 -1.837 364 2HD1 LEU 41 2HD1 LEU 41 4.250 -7.194 -2.712 365 3HD1 LEU 41 3HD1 LEU 41 4.490 -7.588 -1.010 366 1HD2 LEU 41 1HD2 LEU 41 6.062 -10.648 -1.800 367 2HD2 LEU 41 2HD2 LEU 41 5.566 -9.597 -0.475 368 3HD2 LEU 41 3HD2 LEU 41 4.403 -10.056 -1.718 369 H HIS 42 H HIS 42 7.558 -10.017 -6.723 370 HA HIS 42 HA HIS 42 5.328 -10.520 -8.306 371 1HB HIS 42 1HB HIS 42 7.662 -9.736 -8.995 372 2HB HIS 42 2HB HIS 42 8.130 -11.430 -8.960 373 HD1 HIS 42 HD1 HIS 42 7.757 -12.714 -11.047 374 HD2 HIS 42 HD2 HIS 42 5.546 -9.199 -10.960 375 HE1 HIS 42 HE1 HIS 42 6.707 -12.527 -13.324 376 HE2 HIS 42 HE2 HIS 42 5.367 -10.394 -13.249 377 HA PRO 43 HA PRO 43 4.384 -14.764 -7.466 378 1HB PRO 43 1HB PRO 43 3.187 -15.433 -9.830 379 2HB PRO 43 2HB PRO 43 2.401 -14.490 -8.560 380 1HG PRO 43 1HG PRO 43 3.750 -13.546 -11.060 381 2HG PRO 43 2HG PRO 43 2.220 -13.007 -10.341 382 1HD PRO 43 1HD PRO 43 4.490 -11.600 -10.053 383 2HD PRO 43 2HD PRO 43 3.286 -11.695 -8.754 384 H ASP 44 H ASP 44 6.399 -13.846 -10.136 385 HA ASP 44 HA ASP 44 7.073 -16.581 -10.820 386 1HB ASP 44 1HB ASP 44 7.026 -14.376 -12.333 387 2HB ASP 44 2HB ASP 44 8.712 -14.315 -11.828 388 H LYS 45 H LYS 45 8.166 -14.194 -8.629 389 HA LYS 45 HA LYS 45 10.781 -15.485 -8.346 390 1HB LYS 45 1HB LYS 45 9.924 -13.043 -6.827 391 2HB LYS 45 2HB LYS 45 11.546 -13.549 -7.280 392 1HG LYS 45 1HG LYS 45 9.475 -12.677 -9.276 393 2HG LYS 45 2HG LYS 45 10.634 -11.575 -8.530 394 1HD LYS 45 1HD LYS 45 12.415 -13.240 -9.367 395 2HD LYS 45 2HD LYS 45 11.134 -13.854 -10.413 396 1HE LYS 45 1HE LYS 45 11.274 -12.099 -11.792 397 2HE LYS 45 2HE LYS 45 11.342 -10.949 -10.457 398 1HZ LYS 45 1HZ LYS 45 13.409 -10.671 -11.315 399 2HZ LYS 45 2HZ LYS 45 13.756 -11.943 -10.254 400 3HZ LYS 45 3HZ LYS 45 13.523 -12.255 -11.899 401 H GLY 46 H GLY 46 8.319 -16.764 -7.475 402 1HA GLY 46 1HA GLY 46 7.608 -18.029 -5.698 403 2HA GLY 46 2HA GLY 46 9.169 -17.708 -4.959 404 H GLY 47 H GLY 47 6.525 -15.497 -5.830 405 1HA GLY 47 1HA GLY 47 6.530 -14.579 -3.027 406 2HA GLY 47 2HA GLY 47 6.045 -13.602 -4.405 407 H SER 48 H SER 48 4.324 -13.536 -2.425 408 HA SER 48 HA SER 48 2.338 -15.639 -2.743 409 1HB SER 48 1HB SER 48 2.964 -13.632 -0.722 410 2HB SER 48 2HB SER 48 1.240 -13.697 -1.083 411 HG SER 48 HG SER 48 2.631 -16.099 -0.691 412 H HIS 49 H HIS 49 0.263 -15.329 -3.530 413 HA HIS 49 HA HIS 49 0.009 -13.224 -5.493 414 1HB HIS 49 1HB HIS 49 -1.626 -15.642 -4.774 415 2HB HIS 49 2HB HIS 49 -2.264 -14.414 -5.862 416 HD1 HIS 49 HD1 HIS 49 1.304 -15.676 -5.837 417 HD2 HIS 49 HD2 HIS 49 -2.102 -15.804 -8.216 418 HE1 HIS 49 HE1 HIS 49 2.031 -16.742 -7.996 419 HE2 HIS 49 HE2 HIS 49 -0.054 -16.839 -9.409 420 H ALA 50 H ALA 50 -1.742 -14.272 -2.587 421 HA ALA 50 HA ALA 50 -3.689 -12.236 -2.637 422 1HB ALA 50 1HB ALA 50 -2.631 -13.833 -0.309 423 2HB ALA 50 2HB ALA 50 -4.089 -12.841 -0.285 424 3HB ALA 50 3HB ALA 50 -4.000 -14.253 -1.337 425 H LEU 51 H LEU 51 -0.384 -12.264 -1.575 426 HA LEU 51 HA LEU 51 -0.595 -9.944 0.098 427 1HB LEU 51 1HB LEU 51 1.545 -11.751 -0.822 428 2HB LEU 51 2HB LEU 51 2.051 -10.104 -0.501 429 HG LEU 51 HG LEU 51 0.621 -11.876 1.483 430 1HD1 LEU 51 1HD1 LEU 51 2.610 -12.876 1.674 431 2HD1 LEU 51 2HD1 LEU 51 3.436 -11.622 0.749 432 3HD1 LEU 51 3HD1 LEU 51 3.126 -11.389 2.469 433 1HD2 LEU 51 1HD2 LEU 51 2.029 -9.247 1.917 434 2HD2 LEU 51 2HD2 LEU 51 0.284 -9.418 1.736 435 3HD2 LEU 51 3HD2 LEU 51 1.107 -10.178 3.097 436 H MET 52 H MET 52 0.702 -10.568 -3.153 437 HA MET 52 HA MET 52 1.647 -8.073 -3.799 438 1HB MET 52 1HB MET 52 1.244 -10.426 -5.161 439 2HB MET 52 2HB MET 52 0.164 -9.321 -5.999 440 1HG MET 52 1HG MET 52 3.122 -8.975 -5.575 441 2HG MET 52 2HG MET 52 2.304 -9.357 -7.090 442 1HE MET 52 1HE MET 52 2.185 -5.911 -4.425 443 2HE MET 52 2HE MET 52 3.451 -7.129 -4.580 444 3HE MET 52 3HE MET 52 3.592 -5.596 -5.441 445 H GLN 53 H GLN 53 -1.696 -9.211 -3.923 446 HA GLN 53 HA GLN 53 -2.732 -6.839 -5.120 447 1HB GLN 53 1HB GLN 53 -4.301 -8.778 -3.427 448 2HB GLN 53 2HB GLN 53 -4.890 -7.754 -4.730 449 1HG GLN 53 1HG GLN 53 -3.003 -10.075 -5.070 450 2HG GLN 53 2HG GLN 53 -4.740 -10.120 -5.364 451 1HE2 GLN 53 1HE2 GLN 53 -4.547 -8.779 -8.543 452 2HE2 GLN 53 2HE2 GLN 53 -5.510 -9.446 -7.273 453 H GLU 54 H GLU 54 -2.070 -7.863 -1.858 454 HA GLU 54 HA GLU 54 -3.661 -6.000 -0.475 455 1HB GLU 54 1HB GLU 54 -1.686 -7.969 0.159 456 2HB GLU 54 2HB GLU 54 -1.290 -6.486 1.016 457 1HG GLU 54 1HG GLU 54 -2.962 -6.752 2.453 458 2HG GLU 54 2HG GLU 54 -4.114 -7.127 1.173 459 H LEU 55 H LEU 55 -0.247 -5.866 -1.463 460 HA LEU 55 HA LEU 55 0.293 -3.320 -0.412 461 1HB LEU 55 1HB LEU 55 2.098 -4.761 -0.957 462 2HB LEU 55 2HB LEU 55 1.548 -4.940 -2.610 463 HG LEU 55 HG LEU 55 2.019 -2.400 -2.804 464 1HD1 LEU 55 1HD1 LEU 55 4.133 -2.784 -0.796 465 2HD1 LEU 55 2HD1 LEU 55 3.209 -1.341 -1.216 466 3HD1 LEU 55 3HD1 LEU 55 2.503 -2.564 -0.159 467 1HD2 LEU 55 1HD2 LEU 55 3.729 -3.118 -4.024 468 2HD2 LEU 55 2HD2 LEU 55 4.635 -3.577 -2.582 469 3HD2 LEU 55 3HD2 LEU 55 3.497 -4.714 -3.308 470 H ASN 56 H ASN 56 -1.064 -4.363 -3.478 471 HA ASN 56 HA ASN 56 -0.861 -1.849 -4.788 472 1HB ASN 56 1HB ASN 56 -2.154 -4.453 -5.317 473 2HB ASN 56 2HB ASN 56 -2.921 -3.061 -6.077 474 1HD2 ASN 56 1HD2 ASN 56 0.471 -4.596 -7.545 475 2HD2 ASN 56 2HD2 ASN 56 -0.402 -5.295 -6.230 476 H SER 57 H SER 57 -3.245 -3.315 -2.686 477 HA SER 57 HA SER 57 -5.299 -1.396 -3.217 478 1HB SER 57 1HB SER 57 -6.533 -2.469 -1.479 479 2HB SER 57 2HB SER 57 -5.657 -3.742 -2.326 480 HG SER 57 HG SER 57 -5.627 -3.445 0.180 481 H LEU 58 H LEU 58 -2.957 -1.859 -0.586 482 HA LEU 58 HA LEU 58 -3.811 0.400 0.909 483 1HB LEU 58 1HB LEU 58 -1.325 -1.282 0.933 484 2HB LEU 58 2HB LEU 58 -1.478 0.131 1.955 485 HG LEU 58 HG LEU 58 -3.672 -1.858 2.099 486 1HD1 LEU 58 1HD1 LEU 58 -0.886 -2.354 3.118 487 2HD1 LEU 58 2HD1 LEU 58 -2.311 -3.150 3.784 488 3HD1 LEU 58 3HD1 LEU 58 -1.874 -3.395 2.093 489 1HD2 LEU 58 1HD2 LEU 58 -2.494 0.273 3.707 490 2HD2 LEU 58 2HD2 LEU 58 -4.128 -0.390 3.727 491 3HD2 LEU 58 3HD2 LEU 58 -2.841 -1.187 4.631 492 H TRP 59 H TRP 59 -1.581 -0.048 -1.728 493 HA TRP 59 HA TRP 59 -0.444 2.603 -1.428 494 1HB TRP 59 1HB TRP 59 1.071 0.848 -2.067 495 2HB TRP 59 2HB TRP 59 0.016 0.349 -3.380 496 HD1 TRP 59 HD1 TRP 59 0.546 1.293 -5.689 497 HE1 TRP 59 HE1 TRP 59 2.115 3.108 -6.615 498 HE3 TRP 59 HE3 TRP 59 2.146 3.338 -1.270 499 HZ2 TRP 59 HZ2 TRP 59 3.805 5.125 -5.619 500 HZ3 TRP 59 HZ3 TRP 59 3.746 5.200 -1.359 501 HH2 TRP 59 HH2 TRP 59 4.555 6.075 -3.486 502 H GLY 60 H GLY 60 -3.035 1.041 -3.041 503 1HA GLY 60 1HA GLY 60 -3.247 2.832 -5.266 504 2HA GLY 60 2HA GLY 60 -4.476 1.704 -4.718 505 H THR 61 H THR 61 -5.499 2.394 -2.510 506 HA THR 61 HA THR 61 -6.914 4.765 -2.871 507 HB THR 61 HB THR 61 -7.072 2.731 -1.083 508 HG1 THR 61 HG1 THR 61 -8.667 4.408 -1.692 509 1HG2 THR 61 1HG2 THR 61 -5.355 3.444 0.406 510 2HG2 THR 61 2HG2 THR 61 -6.086 5.047 0.531 511 3HG2 THR 61 3HG2 THR 61 -6.932 3.637 1.168 512 H PHE 62 H PHE 62 -4.150 4.025 -0.877 513 HA PHE 62 HA PHE 62 -3.500 6.388 0.331 514 1HB PHE 62 1HB PHE 62 -2.210 4.342 0.611 515 2HB PHE 62 2HB PHE 62 -1.698 4.403 -1.074 516 HD1 PHE 62 HD1 PHE 62 0.634 4.270 -0.537 517 HD2 PHE 62 HD2 PHE 62 -1.799 7.405 1.028 518 HE1 PHE 62 HE1 PHE 62 2.649 5.504 0.141 519 HE2 PHE 62 HE2 PHE 62 0.220 8.640 1.698 520 HZ PHE 62 HZ PHE 62 2.444 7.685 1.253 521 H LYS 63 H LYS 63 -2.645 5.326 -2.900 522 HA LYS 63 HA LYS 63 -1.254 7.564 -3.790 523 1HB LYS 63 1HB LYS 63 -2.142 5.105 -4.811 524 2HB LYS 63 2HB LYS 63 -2.807 6.309 -5.883 525 1HG LYS 63 1HG LYS 63 -0.568 7.220 -6.255 526 2HG LYS 63 2HG LYS 63 0.097 6.007 -5.158 527 1HD LYS 63 1HD LYS 63 -1.232 5.556 -7.826 528 2HD LYS 63 2HD LYS 63 0.440 5.214 -7.378 529 1HE LYS 63 1HE LYS 63 -0.547 3.594 -5.651 530 2HE LYS 63 2HE LYS 63 -2.061 3.773 -6.533 531 1HZ LYS 63 1HZ LYS 63 -0.556 3.206 -8.565 532 2HZ LYS 63 2HZ LYS 63 0.441 2.504 -7.396 533 3HZ LYS 63 3HZ LYS 63 -1.152 1.970 -7.575 534 H THR 64 H THR 64 -4.741 6.849 -3.875 535 HA THR 64 HA THR 64 -5.668 8.869 -5.485 536 HB THR 64 HB THR 64 -6.886 8.010 -2.848 537 HG1 THR 64 HG1 THR 64 -6.606 6.256 -4.234 538 1HG2 THR 64 1HG2 THR 64 -7.795 9.872 -4.859 539 2HG2 THR 64 2HG2 THR 64 -8.920 8.533 -4.633 540 3HG2 THR 64 3HG2 THR 64 -8.444 9.527 -3.256 541 H GLU 65 H GLU 65 -4.511 9.042 -2.189 542 HA GLU 65 HA GLU 65 -5.040 11.886 -1.975 543 1HB GLU 65 1HB GLU 65 -3.385 10.266 -0.050 544 2HB GLU 65 2HB GLU 65 -4.321 11.720 0.266 545 1HG GLU 65 1HG GLU 65 -5.815 9.339 -0.649 546 2HG GLU 65 2HG GLU 65 -5.129 9.287 0.974 547 H VAL 66 H VAL 66 -2.394 9.687 -2.613 548 HA VAL 66 HA VAL 66 -0.205 11.297 -2.237 549 HB VAL 66 HB VAL 66 -0.639 9.189 -4.334 550 1HG1 VAL 66 1HG1 VAL 66 1.305 11.067 -4.557 551 2HG1 VAL 66 2HG1 VAL 66 2.115 9.869 -3.553 552 3HG1 VAL 66 3HG1 VAL 66 1.464 9.406 -5.124 553 1HG2 VAL 66 1HG2 VAL 66 0.962 9.105 -1.783 554 2HG2 VAL 66 2HG2 VAL 66 -0.709 8.561 -1.909 555 3HG2 VAL 66 3HG2 VAL 66 0.552 7.754 -2.840 556 H TYR 67 H TYR 67 -2.215 11.034 -5.152 557 HA TYR 67 HA TYR 67 -0.782 12.838 -6.739 558 1HB TYR 67 1HB TYR 67 -3.660 11.956 -6.738 559 2HB TYR 67 2HB TYR 67 -3.073 13.149 -7.891 560 HD1 TYR 67 HD1 TYR 67 -2.306 12.397 -9.938 561 HD2 TYR 67 HD2 TYR 67 -2.190 9.750 -6.613 562 HE1 TYR 67 HE1 TYR 67 -1.516 10.591 -11.409 563 HE2 TYR 67 HE2 TYR 67 -1.400 7.937 -8.071 564 HH TYR 67 HH TYR 67 -1.430 8.184 -11.488 565 H ASN 68 H ASN 68 -3.066 13.330 -4.171 566 HA ASN 68 HA ASN 68 -3.334 16.169 -4.742 567 1HB ASN 68 1HB ASN 68 -4.581 14.316 -2.723 568 2HB ASN 68 2HB ASN 68 -4.751 16.065 -2.594 569 1HD2 ASN 68 1HD2 ASN 68 -7.424 14.231 -4.669 570 2HD2 ASN 68 2HD2 ASN 68 -6.561 13.687 -3.275 571 H LEU 69 H LEU 69 -1.465 14.062 -2.725 572 HA LEU 69 HA LEU 69 -0.865 15.805 -0.614 573 1HB LEU 69 1HB LEU 69 0.676 14.258 0.065 574 2HB LEU 69 2HB LEU 69 -0.306 13.264 -0.990 575 HG LEU 69 HG LEU 69 1.452 13.874 -2.809 576 1HD1 LEU 69 1HD1 LEU 69 2.913 15.400 -2.012 577 2HD1 LEU 69 2HD1 LEU 69 2.674 14.913 -0.334 578 3HD1 LEU 69 3HD1 LEU 69 3.724 13.965 -1.386 579 1HD2 LEU 69 1HD2 LEU 69 1.239 11.790 -0.878 580 2HD2 LEU 69 2HD2 LEU 69 1.884 11.717 -2.517 581 3HD2 LEU 69 3HD2 LEU 69 2.948 12.118 -1.169 582 H ARG 70 H ARG 70 0.428 15.565 -3.856 583 HA ARG 70 HA ARG 70 2.669 17.250 -3.368 584 1HB ARG 70 1HB ARG 70 1.367 16.262 -5.888 585 2HB ARG 70 2HB ARG 70 2.731 17.372 -5.921 586 1HG ARG 70 1HG ARG 70 3.948 15.647 -4.488 587 2HG ARG 70 2HG ARG 70 2.649 14.541 -4.941 588 1HD ARG 70 1HD ARG 70 3.370 14.358 -7.076 589 2HD ARG 70 2HD ARG 70 3.897 16.039 -7.153 590 HE ARG 70 HE ARG 70 5.532 14.361 -5.477 591 1HH1 ARG 70 1HH1 ARG 70 6.652 15.295 -9.207 592 2HH1 ARG 70 2HH1 ARG 70 5.014 15.559 -8.715 593 1HH2 ARG 70 1HH2 ARG 70 8.169 14.417 -7.739 594 2HH2 ARG 70 2HH2 ARG 70 7.686 14.012 -6.126 595 H MET 71 H MET 71 -0.434 17.981 -3.265 596 HA MET 71 HA MET 71 -0.151 20.630 -4.492 597 1HB MET 71 1HB MET 71 -2.632 19.158 -3.582 598 2HB MET 71 2HB MET 71 -2.617 20.769 -4.286 599 1HG MET 71 1HG MET 71 -1.250 18.774 -5.916 600 2HG MET 71 2HG MET 71 -2.957 18.425 -5.652 601 1HE MET 71 1HE MET 71 -0.305 20.820 -6.994 602 2HE MET 71 2HE MET 71 -1.216 22.107 -7.784 603 3HE MET 71 3HE MET 71 -1.150 22.026 -6.024 604 H ASN 72 H ASN 72 -0.511 18.952 -1.484 605 HA ASN 72 HA ASN 72 -1.376 21.178 0.076 606 1HB ASN 72 1HB ASN 72 -0.043 18.583 0.878 607 2HB ASN 72 2HB ASN 72 -0.708 19.754 2.013 608 1HD2 ASN 72 1HD2 ASN 72 -3.927 18.555 1.784 609 2HD2 ASN 72 2HD2 ASN 72 -2.756 19.543 2.580 610 H LEU 73 H LEU 73 -0.216 22.675 1.181 611 HA LEU 73 HA LEU 73 2.720 22.522 0.980 612 1HB LEU 73 1HB LEU 73 1.824 24.194 -0.568 613 2HB LEU 73 2HB LEU 73 0.985 24.981 0.755 614 HG LEU 73 HG LEU 73 3.182 25.489 1.798 615 1HD1 LEU 73 1HD1 LEU 73 4.747 25.121 -0.605 616 2HD1 LEU 73 2HD1 LEU 73 5.098 24.644 1.056 617 3HD1 LEU 73 3HD1 LEU 73 4.140 23.588 0.018 618 1HD2 LEU 73 1HD2 LEU 73 3.193 27.447 0.724 619 2HD2 LEU 73 2HD2 LEU 73 3.561 26.693 -0.827 620 3HD2 LEU 73 3HD2 LEU 73 1.893 26.778 -0.261 621 H GLY 74 H GLY 74 0.199 24.399 2.684 622 1HA GLY 74 1HA GLY 74 -0.142 24.400 5.023 623 2HA GLY 74 2HA GLY 74 1.436 23.656 5.230 624 H GLY 75 H GLY 75 2.552 25.009 6.502 625 1HA GLY 75 1HA GLY 75 3.571 27.426 5.538 626 2HA GLY 75 2HA GLY 75 2.206 27.809 6.575 627 H THR 76 H THR 76 4.477 25.138 6.999 628 HA THR 76 HA THR 76 4.954 25.914 9.719 629 HB THR 76 HB THR 76 4.869 23.568 9.243 630 HG1 THR 76 HG1 THR 76 7.030 22.949 9.925 631 1HG2 THR 76 1HG2 THR 76 5.430 23.306 6.995 632 2HG2 THR 76 2HG2 THR 76 6.972 24.140 7.191 633 3HG2 THR 76 3HG2 THR 76 6.746 22.530 7.875 634 H GLY 77 H GLY 77 6.863 26.647 10.645 635 1HA GLY 77 1HA GLY 77 8.418 28.417 9.072 636 2HA GLY 77 2HA GLY 77 8.748 27.960 10.737 637 H PHE 78 H PHE 78 8.815 25.074 9.930 638 HA PHE 78 HA PHE 78 11.612 25.054 9.128 639 1HB PHE 78 1HB PHE 78 10.086 23.523 10.900 640 2HB PHE 78 2HB PHE 78 10.437 22.436 9.561 641 HD1 PHE 78 HD1 PHE 78 12.089 20.995 10.270 642 HD2 PHE 78 HD2 PHE 78 12.466 25.152 11.099 643 HE1 PHE 78 HE1 PHE 78 14.342 20.604 11.178 644 HE2 PHE 78 HE2 PHE 78 14.721 24.770 12.008 645 HZ PHE 78 HZ PHE 78 15.662 22.494 12.048 646 H GLN 79 H GLN 79 11.957 25.135 6.997 647 HA GLN 79 HA GLN 79 10.170 23.658 5.204 648 1HB GLN 79 1HB GLN 79 11.330 24.935 3.393 649 2HB GLN 79 2HB GLN 79 10.472 25.943 4.550 650 1HG GLN 79 1HG GLN 79 12.613 26.393 5.694 651 2HG GLN 79 2HG GLN 79 13.441 25.458 4.450 652 1HE2 GLN 79 1HE2 GLN 79 13.048 27.909 1.925 653 2HE2 GLN 79 2HE2 GLN 79 13.143 26.208 2.209 Start of MODEL 38 1 1H MET 1 1H MET 1 -19.005 3.014 -3.451 2 2H MET 1 2H MET 1 -19.497 4.547 -2.861 3 3H MET 1 3H MET 1 -17.932 4.348 -3.535 4 HA MET 1 HA MET 1 -18.902 3.834 -0.905 5 1HB MET 1 1HB MET 1 -18.122 1.606 -2.530 6 2HB MET 1 2HB MET 1 -16.886 1.869 -1.309 7 1HG MET 1 1HG MET 1 -18.792 1.930 0.374 8 2HG MET 1 2HG MET 1 -19.796 1.274 -0.917 9 1HE MET 1 1HE MET 1 -18.817 -1.416 -2.161 10 2HE MET 1 2HE MET 1 -19.408 -2.279 -0.741 11 3HE MET 1 3HE MET 1 -20.227 -0.817 -1.290 12 H ASP 2 H ASP 2 -17.323 4.400 0.592 13 HA ASP 2 HA ASP 2 -15.388 6.261 -0.278 14 1HB ASP 2 1HB ASP 2 -16.090 5.003 2.341 15 2HB ASP 2 2HB ASP 2 -14.567 5.875 2.205 16 H ARG 3 H ARG 3 -13.199 6.129 -0.521 17 HA ARG 3 HA ARG 3 -11.980 3.466 -0.224 18 1HB ARG 3 1HB ARG 3 -12.526 4.373 -2.637 19 2HB ARG 3 2HB ARG 3 -11.067 5.323 -2.385 20 1HG ARG 3 1HG ARG 3 -9.700 3.484 -2.403 21 2HG ARG 3 2HG ARG 3 -10.977 2.391 -1.868 22 1HD ARG 3 1HD ARG 3 -11.715 3.511 -4.387 23 2HD ARG 3 2HD ARG 3 -10.069 2.889 -4.504 24 HE ARG 3 HE ARG 3 -11.750 1.004 -3.233 25 1HH1 ARG 3 1HH1 ARG 3 -11.528 0.941 -7.232 26 2HH1 ARG 3 2HH1 ARG 3 -11.030 2.356 -6.368 27 1HH2 ARG 3 1HH2 ARG 3 -12.310 -0.885 -6.095 28 2HH2 ARG 3 2HH2 ARG 3 -12.405 -0.860 -4.366 29 H VAL 4 H VAL 4 -11.471 4.567 1.897 30 HA VAL 4 HA VAL 4 -8.891 5.949 1.631 31 HB VAL 4 HB VAL 4 -9.416 7.327 3.608 32 1HG1 VAL 4 1HG1 VAL 4 -10.794 7.547 1.018 33 2HG1 VAL 4 2HG1 VAL 4 -11.442 8.558 2.309 34 3HG1 VAL 4 3HG1 VAL 4 -9.746 8.694 1.851 35 1HG2 VAL 4 1HG2 VAL 4 -11.119 6.763 4.917 36 2HG2 VAL 4 2HG2 VAL 4 -12.225 7.274 3.644 37 3HG2 VAL 4 3HG2 VAL 4 -11.699 5.594 3.732 38 H LEU 5 H LEU 5 -7.336 4.945 2.656 39 HA LEU 5 HA LEU 5 -7.911 2.748 4.450 40 1HB LEU 5 1HB LEU 5 -5.716 2.091 4.142 41 2HB LEU 5 2HB LEU 5 -6.157 2.758 2.609 42 HG LEU 5 HG LEU 5 -4.662 4.389 4.636 43 1HD1 LEU 5 1HD1 LEU 5 -2.735 3.661 2.921 44 2HD1 LEU 5 2HD1 LEU 5 -3.047 2.819 4.434 45 3HD1 LEU 5 3HD1 LEU 5 -3.694 2.182 2.927 46 1HD2 LEU 5 1HD2 LEU 5 -4.711 5.936 3.052 47 2HD2 LEU 5 2HD2 LEU 5 -4.061 4.804 1.865 48 3HD2 LEU 5 3HD2 LEU 5 -5.795 4.893 2.136 49 H SER 6 H SER 6 -7.236 2.549 6.565 50 HA SER 6 HA SER 6 -7.098 5.075 7.995 51 1HB SER 6 1HB SER 6 -7.358 3.592 10.021 52 2HB SER 6 2HB SER 6 -8.680 3.495 8.858 53 HG SER 6 HG SER 6 -8.001 1.529 8.225 54 H ARG 7 H ARG 7 -5.739 4.713 10.200 55 HA ARG 7 HA ARG 7 -3.068 5.046 9.508 56 1HB ARG 7 1HB ARG 7 -2.585 4.873 11.909 57 2HB ARG 7 2HB ARG 7 -3.995 5.879 11.605 58 1HG ARG 7 1HG ARG 7 -5.184 4.638 12.993 59 2HG ARG 7 2HG ARG 7 -4.901 3.220 11.982 60 1HD ARG 7 1HD ARG 7 -3.282 2.415 13.337 61 2HD ARG 7 2HD ARG 7 -2.667 4.020 13.731 62 HE ARG 7 HE ARG 7 -3.921 3.952 15.626 63 1HH1 ARG 7 1HH1 ARG 7 -6.548 1.180 14.415 64 2HH1 ARG 7 2HH1 ARG 7 -5.339 1.754 13.314 65 1HH2 ARG 7 1HH2 ARG 7 -6.645 2.001 16.550 66 2HH2 ARG 7 2HH2 ARG 7 -5.508 3.198 17.073 67 H ALA 8 H ALA 8 -4.832 2.150 10.415 68 HA ALA 8 HA ALA 8 -2.601 0.472 10.832 69 1HB ALA 8 1HB ALA 8 -5.147 -0.637 9.754 70 2HB ALA 8 2HB ALA 8 -4.101 -1.249 11.035 71 3HB ALA 8 3HB ALA 8 -5.157 0.130 11.341 72 H ASP 9 H ASP 9 -4.541 1.220 7.956 73 HA ASP 9 HA ASP 9 -3.301 -0.641 6.242 74 1HB ASP 9 1HB ASP 9 -4.817 1.911 5.773 75 2HB ASP 9 2HB ASP 9 -4.180 0.970 4.448 76 H LYS 10 H LYS 10 -2.792 2.886 6.528 77 HA LYS 10 HA LYS 10 -0.616 3.011 4.775 78 1HB LYS 10 1HB LYS 10 -0.043 5.148 6.049 79 2HB LYS 10 2HB LYS 10 -1.626 5.065 5.295 80 1HG LYS 10 1HG LYS 10 -2.302 5.848 7.284 81 2HG LYS 10 2HG LYS 10 -2.242 4.147 7.733 82 1HD LYS 10 1HD LYS 10 -1.092 5.277 9.447 83 2HD LYS 10 2HD LYS 10 0.169 4.577 8.431 84 1HE LYS 10 1HE LYS 10 0.173 6.834 7.218 85 2HE LYS 10 2HE LYS 10 -0.731 7.434 8.608 86 1HZ LYS 10 1HZ LYS 10 2.022 7.126 8.372 87 2HZ LYS 10 2HZ LYS 10 1.149 7.617 9.735 88 3HZ LYS 10 3HZ LYS 10 1.509 5.981 9.507 89 H GLU 11 H GLU 11 -0.748 2.469 8.256 90 HA GLU 11 HA GLU 11 2.043 2.511 8.702 91 1HB GLU 11 1HB GLU 11 -0.275 1.319 10.201 92 2HB GLU 11 2HB GLU 11 1.379 1.052 10.734 93 1HG GLU 11 1HG GLU 11 0.999 3.835 10.236 94 2HG GLU 11 2HG GLU 11 -0.297 3.248 11.277 95 H ARG 12 H ARG 12 -0.180 0.059 7.592 96 HA ARG 12 HA ARG 12 1.709 -2.105 7.816 97 1HB ARG 12 1HB ARG 12 -0.687 -2.550 7.992 98 2HB ARG 12 2HB ARG 12 -0.943 -1.913 6.373 99 1HG ARG 12 1HG ARG 12 -0.987 -4.277 6.221 100 2HG ARG 12 2HG ARG 12 0.537 -3.736 5.513 101 1HD ARG 12 1HD ARG 12 1.778 -4.723 7.115 102 2HD ARG 12 2HD ARG 12 0.633 -4.318 8.392 103 HE ARG 12 HE ARG 12 -0.263 -6.384 6.591 104 1HH1 ARG 12 1HH1 ARG 12 1.225 -7.253 10.208 105 2HH1 ARG 12 2HH1 ARG 12 1.463 -5.673 9.541 106 1HH2 ARG 12 1HH2 ARG 12 0.067 -8.835 9.033 107 2HH2 ARG 12 2HH2 ARG 12 -0.581 -8.460 7.470 108 H LEU 13 H LEU 13 0.545 0.080 5.330 109 HA LEU 13 HA LEU 13 1.681 -1.133 3.078 110 1HB LEU 13 1HB LEU 13 0.067 0.618 2.827 111 2HB LEU 13 2HB LEU 13 1.051 1.736 3.745 112 HG LEU 13 HG LEU 13 2.738 1.200 1.697 113 1HD1 LEU 13 1HD1 LEU 13 0.020 1.245 0.414 114 2HD1 LEU 13 2HD1 LEU 13 1.589 1.032 -0.360 115 3HD1 LEU 13 3HD1 LEU 13 0.935 -0.240 0.671 116 1HD2 LEU 13 1HD2 LEU 13 2.303 3.370 1.005 117 2HD2 LEU 13 2HD2 LEU 13 0.578 3.242 1.358 118 3HD2 LEU 13 3HD2 LEU 13 1.741 3.369 2.680 119 H LEU 14 H LEU 14 3.001 0.925 5.563 120 HA LEU 14 HA LEU 14 5.450 1.520 4.244 121 1HB LEU 14 1HB LEU 14 4.439 1.760 7.047 122 2HB LEU 14 2HB LEU 14 6.133 2.049 6.694 123 HG LEU 14 HG LEU 14 3.807 3.540 5.481 124 1HD1 LEU 14 1HD1 LEU 14 4.054 5.130 7.049 125 2HD1 LEU 14 2HD1 LEU 14 4.743 3.813 7.996 126 3HD1 LEU 14 3HD1 LEU 14 5.803 4.927 7.132 127 1HD2 LEU 14 1HD2 LEU 14 6.305 4.856 5.172 128 2HD2 LEU 14 2HD2 LEU 14 6.473 3.207 4.573 129 3HD2 LEU 14 3HD2 LEU 14 5.213 4.257 3.924 130 H GLU 15 H GLU 15 4.464 -0.890 6.649 131 HA GLU 15 HA GLU 15 6.921 -1.986 7.282 132 1HB GLU 15 1HB GLU 15 4.361 -3.541 6.863 133 2HB GLU 15 2HB GLU 15 5.731 -4.028 7.848 134 1HG GLU 15 1HG GLU 15 4.810 -1.454 8.691 135 2HG GLU 15 2HG GLU 15 3.459 -2.584 8.634 136 H LEU 16 H LEU 16 4.914 -2.487 4.446 137 HA LEU 16 HA LEU 16 6.691 -4.509 3.364 138 1HB LEU 16 1HB LEU 16 4.115 -3.259 2.496 139 2HB LEU 16 2HB LEU 16 5.097 -4.115 1.321 140 HG LEU 16 HG LEU 16 5.022 -6.097 2.930 141 1HD1 LEU 16 1HD1 LEU 16 3.825 -6.024 4.809 142 2HD1 LEU 16 2HD1 LEU 16 3.833 -4.272 4.612 143 3HD1 LEU 16 3HD1 LEU 16 2.471 -5.220 4.017 144 1HD2 LEU 16 1HD2 LEU 16 2.588 -6.587 2.215 145 2HD2 LEU 16 2HD2 LEU 16 2.698 -5.046 1.364 146 3HD2 LEU 16 3HD2 LEU 16 3.814 -6.355 0.968 147 H LEU 17 H LEU 17 6.365 -1.103 3.287 148 HA LEU 17 HA LEU 17 7.808 -0.773 0.790 149 1HB LEU 17 1HB LEU 17 6.321 0.986 2.635 150 2HB LEU 17 2HB LEU 17 7.650 1.721 1.764 151 HG LEU 17 HG LEU 17 5.397 1.988 0.699 152 1HD1 LEU 17 1HD1 LEU 17 6.207 1.653 -1.531 153 2HD1 LEU 17 2HD1 LEU 17 7.544 2.195 -0.517 154 3HD1 LEU 17 3HD1 LEU 17 7.412 0.495 -0.969 155 1HD2 LEU 17 1HD2 LEU 17 5.411 -0.887 0.964 156 2HD2 LEU 17 2HD2 LEU 17 4.090 0.197 0.539 157 3HD2 LEU 17 3HD2 LEU 17 5.175 -0.405 -0.713 158 H LYS 18 H LYS 18 8.664 -1.332 3.973 159 HA LYS 18 HA LYS 18 10.603 -1.078 5.149 160 1HB LYS 18 1HB LYS 18 11.348 -1.451 2.363 161 2HB LYS 18 2HB LYS 18 12.547 -0.517 3.245 162 1HG LYS 18 1HG LYS 18 13.283 -2.311 4.346 163 2HG LYS 18 2HG LYS 18 11.646 -2.851 4.724 164 1HD LYS 18 1HD LYS 18 11.444 -3.828 2.497 165 2HD LYS 18 2HD LYS 18 13.063 -3.258 2.090 166 1HE LYS 18 1HE LYS 18 13.567 -5.396 2.703 167 2HE LYS 18 2HE LYS 18 13.692 -4.609 4.276 168 1HZ LYS 18 1HZ LYS 18 12.142 -5.979 5.022 169 2HZ LYS 18 2HZ LYS 18 11.029 -5.353 3.913 170 3HZ LYS 18 3HZ LYS 18 11.977 -6.691 3.495 171 H LEU 19 H LEU 19 8.994 1.291 4.163 172 HA LEU 19 HA LEU 19 11.003 3.405 4.435 173 1HB LEU 19 1HB LEU 19 9.599 3.406 2.404 174 2HB LEU 19 2HB LEU 19 8.166 3.525 3.404 175 HG LEU 19 HG LEU 19 10.109 5.649 3.928 176 1HD1 LEU 19 1HD1 LEU 19 9.056 5.192 1.168 177 2HD1 LEU 19 2HD1 LEU 19 9.344 6.825 1.759 178 3HD1 LEU 19 3HD1 LEU 19 10.674 5.668 1.675 179 1HD2 LEU 19 1HD2 LEU 19 7.178 5.356 3.442 180 2HD2 LEU 19 2HD2 LEU 19 8.020 5.986 4.857 181 3HD2 LEU 19 3HD2 LEU 19 7.923 6.949 3.383 182 HA PRO 20 HA PRO 20 9.599 3.486 8.741 183 1HB PRO 20 1HB PRO 20 11.069 6.074 8.476 184 2HB PRO 20 2HB PRO 20 11.148 4.861 9.758 185 1HG PRO 20 1HG PRO 20 13.065 5.017 7.920 186 2HG PRO 20 2HG PRO 20 12.502 3.446 8.518 187 1HD PRO 20 1HD PRO 20 11.994 4.775 5.910 188 2HD PRO 20 2HD PRO 20 12.108 3.046 6.298 189 H ARG 21 H ARG 21 8.528 5.077 10.139 190 HA ARG 21 HA ARG 21 6.423 6.463 8.693 191 1HB ARG 21 1HB ARG 21 6.807 5.460 11.464 192 2HB ARG 21 2HB ARG 21 5.750 6.850 11.259 193 1HG ARG 21 1HG ARG 21 4.871 5.164 9.306 194 2HG ARG 21 2HG ARG 21 5.317 4.044 10.591 195 1HD ARG 21 1HD ARG 21 3.456 6.404 10.844 196 2HD ARG 21 2HD ARG 21 2.978 4.712 10.761 197 HE ARG 21 HE ARG 21 3.859 4.381 12.930 198 1HH1 ARG 21 1HH1 ARG 21 4.184 8.333 13.513 199 2HH1 ARG 21 2HH1 ARG 21 4.023 7.722 11.902 200 1HH2 ARG 21 1HH2 ARG 21 4.216 6.904 15.289 201 2HH2 ARG 21 2HH2 ARG 21 4.074 5.196 15.041 202 H GLN 22 H GLN 22 9.427 7.278 9.759 203 HA GLN 22 HA GLN 22 8.825 9.857 10.894 204 1HB GLN 22 1HB GLN 22 11.006 8.111 10.918 205 2HB GLN 22 2HB GLN 22 11.567 9.517 10.024 206 1HG GLN 22 1HG GLN 22 11.420 10.901 11.829 207 2HG GLN 22 2HG GLN 22 10.133 9.964 12.585 208 1HE2 GLN 22 1HE2 GLN 22 12.449 8.717 14.828 209 2HE2 GLN 22 2HE2 GLN 22 10.964 9.550 14.539 210 H LEU 23 H LEU 23 9.594 8.553 7.783 211 HA LEU 23 HA LEU 23 9.721 11.276 6.692 212 1HB LEU 23 1HB LEU 23 11.083 10.506 4.920 213 2HB LEU 23 2HB LEU 23 11.763 9.875 6.402 214 HG LEU 23 HG LEU 23 11.952 8.164 4.777 215 1HD1 LEU 23 1HD1 LEU 23 9.489 7.392 6.312 216 2HD1 LEU 23 2HD1 LEU 23 10.762 6.334 5.704 217 3HD1 LEU 23 3HD1 LEU 23 11.099 7.455 7.030 218 1HD2 LEU 23 1HD2 LEU 23 10.388 7.554 3.234 219 2HD2 LEU 23 2HD2 LEU 23 9.039 8.108 4.225 220 3HD2 LEU 23 3HD2 LEU 23 10.059 9.279 3.390 221 H TRP 24 H TRP 24 7.423 9.296 7.260 222 HA TRP 24 HA TRP 24 6.214 8.415 4.933 223 1HB TRP 24 1HB TRP 24 5.318 7.794 7.062 224 2HB TRP 24 2HB TRP 24 5.049 9.472 7.511 225 HD1 TRP 24 HD1 TRP 24 2.763 10.542 6.860 226 HE1 TRP 24 HE1 TRP 24 0.617 9.637 5.768 227 HE3 TRP 24 HE3 TRP 24 4.538 6.055 5.169 228 HZ2 TRP 24 HZ2 TRP 24 -0.219 7.323 4.380 229 HZ3 TRP 24 HZ3 TRP 24 2.997 4.551 3.967 230 HH2 TRP 24 HH2 TRP 24 0.672 5.180 3.581 231 H GLY 25 H GLY 25 6.151 9.676 3.144 232 1HA GLY 25 1HA GLY 25 4.248 11.425 2.503 233 2HA GLY 25 2HA GLY 25 5.366 12.475 3.356 234 H ASP 26 H ASP 26 7.605 10.676 2.253 235 HA ASP 26 HA ASP 26 8.132 12.290 -0.055 236 1HB ASP 26 1HB ASP 26 9.794 11.276 1.695 237 2HB ASP 26 2HB ASP 26 9.744 9.862 0.647 238 H PHE 27 H PHE 27 6.506 11.775 -1.545 239 HA PHE 27 HA PHE 27 5.669 9.285 -2.368 240 1HB PHE 27 1HB PHE 27 4.653 11.443 -3.060 241 2HB PHE 27 2HB PHE 27 6.006 11.690 -4.158 242 HD1 PHE 27 HD1 PHE 27 3.858 8.740 -3.378 243 HD2 PHE 27 HD2 PHE 27 5.311 11.436 -6.333 244 HE1 PHE 27 HE1 PHE 27 2.671 7.468 -5.116 245 HE2 PHE 27 HE2 PHE 27 4.125 10.169 -8.077 246 HZ PHE 27 HZ PHE 27 2.803 8.182 -7.470 247 H GLY 28 H GLY 28 8.631 10.936 -3.165 248 1HA GLY 28 1HA GLY 28 9.287 9.319 -5.426 249 2HA GLY 28 2HA GLY 28 10.383 10.374 -4.553 250 H ARG 29 H ARG 29 10.250 9.214 -2.008 251 HA ARG 29 HA ARG 29 12.011 6.994 -2.412 252 1HB ARG 29 1HB ARG 29 10.884 8.193 0.121 253 2HB ARG 29 2HB ARG 29 12.134 6.956 0.069 254 1HG ARG 29 1HG ARG 29 13.614 8.478 -1.119 255 2HG ARG 29 2HG ARG 29 12.357 9.718 -1.115 256 1HD ARG 29 1HD ARG 29 12.438 9.883 1.271 257 2HD ARG 29 2HD ARG 29 13.511 8.488 1.383 258 HE ARG 29 HE ARG 29 14.255 11.193 0.834 259 1HH1 ARG 29 1HH1 ARG 29 16.803 8.216 0.000 260 2HH1 ARG 29 2HH1 ARG 29 15.129 7.862 0.266 261 1HH2 ARG 29 1HH2 ARG 29 17.558 10.370 0.124 262 2HH2 ARG 29 2HH2 ARG 29 16.458 11.659 0.483 263 H MET 30 H MET 30 8.666 7.356 -1.339 264 HA MET 30 HA MET 30 8.363 4.689 -0.425 265 1HB MET 30 1HB MET 30 5.947 5.126 -0.524 266 2HB MET 30 2HB MET 30 6.817 6.427 0.275 267 1HG MET 30 1HG MET 30 6.672 7.789 -1.711 268 2HG MET 30 2HG MET 30 5.896 6.473 -2.586 269 1HE MET 30 1HE MET 30 4.061 8.687 0.990 270 2HE MET 30 2HE MET 30 4.743 7.085 1.265 271 3HE MET 30 3HE MET 30 5.773 8.393 0.685 272 H GLN 31 H GLN 31 7.710 6.239 -3.547 273 HA GLN 31 HA GLN 31 6.581 3.958 -4.772 274 1HB GLN 31 1HB GLN 31 6.670 6.464 -5.556 275 2HB GLN 31 2HB GLN 31 8.158 5.960 -6.346 276 1HG GLN 31 1HG GLN 31 6.787 4.097 -7.395 277 2HG GLN 31 2HG GLN 31 5.367 4.976 -6.830 278 1HE2 GLN 31 1HE2 GLN 31 7.747 6.843 -9.596 279 2HE2 GLN 31 2HE2 GLN 31 8.452 5.911 -8.323 280 H GLN 32 H GLN 32 9.874 5.045 -4.294 281 HA GLN 32 HA GLN 32 11.155 3.294 -6.091 282 1HB GLN 32 1HB GLN 32 12.073 4.647 -3.557 283 2HB GLN 32 2HB GLN 32 13.137 3.614 -4.503 284 1HG GLN 32 1HG GLN 32 11.867 5.525 -6.217 285 2HG GLN 32 2HG GLN 32 12.624 6.346 -4.852 286 1HE2 GLN 32 1HE2 GLN 32 15.634 6.305 -6.542 287 2HE2 GLN 32 2HE2 GLN 32 14.411 7.192 -5.702 288 H ALA 33 H ALA 33 10.098 2.944 -2.754 289 HA ALA 33 HA ALA 33 11.277 0.353 -2.401 290 1HB ALA 33 1HB ALA 33 9.569 2.164 -0.797 291 2HB ALA 33 2HB ALA 33 9.499 0.444 -0.414 292 3HB ALA 33 3HB ALA 33 11.040 1.299 -0.350 293 H TYR 34 H TYR 34 8.045 1.601 -3.135 294 HA TYR 34 HA TYR 34 6.577 -0.737 -2.984 295 1HB TYR 34 1HB TYR 34 5.535 1.444 -3.357 296 2HB TYR 34 2HB TYR 34 6.253 1.530 -4.963 297 HD1 TYR 34 HD1 TYR 34 3.420 0.486 -3.063 298 HD2 TYR 34 HD2 TYR 34 5.594 -0.308 -6.637 299 HE1 TYR 34 HE1 TYR 34 1.462 -0.675 -3.998 300 HE2 TYR 34 HE2 TYR 34 3.638 -1.457 -7.582 301 HH TYR 34 HH TYR 34 1.132 -2.553 -5.840 302 H LYS 35 H LYS 35 8.401 0.542 -5.749 303 HA LYS 35 HA LYS 35 7.769 -1.618 -7.483 304 1HB LYS 35 1HB LYS 35 9.146 0.858 -7.661 305 2HB LYS 35 2HB LYS 35 10.252 -0.392 -8.216 306 1HG LYS 35 1HG LYS 35 8.778 -1.075 -9.926 307 2HG LYS 35 2HG LYS 35 7.439 -0.152 -9.242 308 1HD LYS 35 1HD LYS 35 9.814 1.447 -9.880 309 2HD LYS 35 2HD LYS 35 9.047 0.692 -11.279 310 1HE LYS 35 1HE LYS 35 7.377 2.159 -11.232 311 2HE LYS 35 2HE LYS 35 7.062 1.825 -9.530 312 1HZ LYS 35 1HZ LYS 35 8.391 4.053 -10.722 313 2HZ LYS 35 2HZ LYS 35 7.776 3.881 -9.156 314 3HZ LYS 35 3HZ LYS 35 9.336 3.337 -9.515 315 H GLN 36 H GLN 36 10.441 -0.947 -5.283 316 HA GLN 36 HA GLN 36 12.112 -3.070 -6.098 317 1HB GLN 36 1HB GLN 36 11.894 -1.459 -3.568 318 2HB GLN 36 2HB GLN 36 13.034 -2.791 -3.700 319 1HG GLN 36 1HG GLN 36 12.949 -0.426 -5.558 320 2HG GLN 36 2HG GLN 36 14.024 -0.577 -4.170 321 1HE2 GLN 36 1HE2 GLN 36 15.967 -3.193 -5.685 322 2HE2 GLN 36 2HE2 GLN 36 15.231 -2.771 -4.180 323 H GLN 37 H GLN 37 9.914 -2.810 -3.301 324 HA GLN 37 HA GLN 37 10.184 -5.543 -2.563 325 1HB GLN 37 1HB GLN 37 7.986 -3.587 -1.881 326 2HB GLN 37 2HB GLN 37 8.342 -5.085 -1.031 327 1HG GLN 37 1HG GLN 37 10.400 -2.930 -1.301 328 2HG GLN 37 2HG GLN 37 9.184 -2.878 -0.030 329 1HE2 GLN 37 1HE2 GLN 37 10.453 -5.908 1.515 330 2HE2 GLN 37 2HE2 GLN 37 8.951 -5.252 0.966 331 H SER 38 H SER 38 8.363 -3.956 -4.979 332 HA SER 38 HA SER 38 6.161 -5.730 -5.153 333 1HB SER 38 1HB SER 38 7.279 -3.537 -6.741 334 2HB SER 38 2HB SER 38 6.545 -4.800 -7.729 335 HG SER 38 HG SER 38 5.176 -3.813 -5.481 336 H LEU 39 H LEU 39 9.451 -5.850 -6.264 337 HA LEU 39 HA LEU 39 9.111 -7.919 -8.191 338 1HB LEU 39 1HB LEU 39 11.535 -6.923 -6.697 339 2HB LEU 39 2HB LEU 39 11.608 -8.160 -7.938 340 HG LEU 39 HG LEU 39 10.689 -5.310 -8.344 341 1HD1 LEU 39 1HD1 LEU 39 13.121 -6.579 -9.542 342 2HD1 LEU 39 2HD1 LEU 39 12.736 -4.869 -9.349 343 3HD1 LEU 39 3HD1 LEU 39 13.180 -5.837 -7.943 344 1HD2 LEU 39 1HD2 LEU 39 11.241 -6.478 -10.799 345 2HD2 LEU 39 2HD2 LEU 39 10.344 -7.716 -9.921 346 3HD2 LEU 39 3HD2 LEU 39 9.646 -6.112 -10.141 347 H LEU 40 H LEU 40 9.904 -7.845 -4.757 348 HA LEU 40 HA LEU 40 10.306 -10.708 -4.665 349 1HB LEU 40 1HB LEU 40 10.447 -10.245 -2.146 350 2HB LEU 40 2HB LEU 40 11.720 -9.637 -3.181 351 HG LEU 40 HG LEU 40 9.779 -7.585 -2.968 352 1HD1 LEU 40 1HD1 LEU 40 10.150 -9.142 -0.494 353 2HD1 LEU 40 2HD1 LEU 40 10.295 -7.391 -0.345 354 3HD1 LEU 40 3HD1 LEU 40 8.816 -8.102 -0.995 355 1HD2 LEU 40 1HD2 LEU 40 11.799 -6.665 -1.512 356 2HD2 LEU 40 2HD2 LEU 40 12.610 -8.056 -2.232 357 3HD2 LEU 40 3HD2 LEU 40 11.898 -6.818 -3.266 358 H LEU 41 H LEU 41 7.625 -8.670 -4.574 359 HA LEU 41 HA LEU 41 6.065 -10.457 -2.871 360 1HB LEU 41 1HB LEU 41 5.570 -7.758 -4.073 361 2HB LEU 41 2HB LEU 41 4.228 -8.726 -3.492 362 HG LEU 41 HG LEU 41 6.584 -7.945 -1.777 363 1HD1 LEU 41 1HD1 LEU 41 4.412 -6.334 -2.690 364 2HD1 LEU 41 2HD1 LEU 41 4.232 -6.620 -0.959 365 3HD1 LEU 41 3HD1 LEU 41 5.721 -5.916 -1.586 366 1HD2 LEU 41 1HD2 LEU 41 5.730 -9.523 -0.452 367 2HD2 LEU 41 2HD2 LEU 41 4.380 -8.421 -0.186 368 3HD2 LEU 41 3HD2 LEU 41 4.269 -9.670 -1.426 369 H HIS 42 H HIS 42 7.009 -10.506 -5.984 370 HA HIS 42 HA HIS 42 4.499 -11.170 -7.239 371 1HB HIS 42 1HB HIS 42 6.634 -10.086 -8.305 372 2HB HIS 42 2HB HIS 42 7.187 -11.751 -8.442 373 HD1 HIS 42 HD1 HIS 42 4.713 -9.337 -9.850 374 HD2 HIS 42 HD2 HIS 42 5.842 -13.301 -10.362 375 HE1 HIS 42 HE1 HIS 42 3.616 -10.081 -11.987 376 HE2 HIS 42 HE2 HIS 42 4.301 -12.488 -12.268 377 HA PRO 43 HA PRO 43 4.467 -15.447 -6.111 378 1HB PRO 43 1HB PRO 43 3.143 -16.451 -8.307 379 2HB PRO 43 2HB PRO 43 2.357 -15.674 -6.931 380 1HG PRO 43 1HG PRO 43 3.054 -14.542 -9.604 381 2HG PRO 43 2HG PRO 43 1.608 -14.275 -8.613 382 1HD PRO 43 1HD PRO 43 3.603 -12.468 -8.762 383 2HD PRO 43 2HD PRO 43 2.663 -12.709 -7.278 384 H ASP 44 H ASP 44 6.120 -14.254 -8.835 385 HA ASP 44 HA ASP 44 7.162 -16.865 -9.605 386 1HB ASP 44 1HB ASP 44 6.517 -14.935 -11.234 387 2HB ASP 44 2HB ASP 44 8.082 -14.261 -10.786 388 H LYS 45 H LYS 45 8.049 -14.027 -7.813 389 HA LYS 45 HA LYS 45 10.826 -14.935 -7.591 390 1HB LYS 45 1HB LYS 45 9.442 -12.356 -6.874 391 2HB LYS 45 2HB LYS 45 11.069 -12.723 -6.321 392 1HG LYS 45 1HG LYS 45 11.215 -11.361 -8.277 393 2HG LYS 45 2HG LYS 45 11.761 -12.988 -8.685 394 1HD LYS 45 1HD LYS 45 9.972 -13.398 -10.035 395 2HD LYS 45 2HD LYS 45 8.890 -12.371 -9.094 396 1HE LYS 45 1HE LYS 45 9.104 -11.017 -10.894 397 2HE LYS 45 2HE LYS 45 10.555 -10.499 -10.035 398 1HZ LYS 45 1HZ LYS 45 11.142 -10.939 -12.281 399 2HZ LYS 45 2HZ LYS 45 11.790 -12.191 -11.347 400 3HZ LYS 45 3HZ LYS 45 10.390 -12.454 -12.259 401 H GLY 46 H GLY 46 8.571 -16.328 -6.315 402 1HA GLY 46 1HA GLY 46 8.142 -17.372 -4.319 403 2HA GLY 46 2HA GLY 46 9.733 -16.836 -3.804 404 H GLY 47 H GLY 47 6.334 -15.925 -4.013 405 1HA GLY 47 1HA GLY 47 6.600 -14.456 -1.523 406 2HA GLY 47 2HA GLY 47 6.161 -13.482 -2.919 407 H SER 48 H SER 48 4.341 -13.243 -1.165 408 HA SER 48 HA SER 48 2.365 -15.375 -1.335 409 1HB SER 48 1HB SER 48 2.797 -13.006 0.384 410 2HB SER 48 2HB SER 48 1.112 -13.408 0.054 411 HG SER 48 HG SER 48 1.741 -15.613 0.707 412 H HIS 49 H HIS 49 0.520 -15.302 -2.501 413 HA HIS 49 HA HIS 49 0.335 -13.495 -4.676 414 1HB HIS 49 1HB HIS 49 -1.484 -15.619 -3.568 415 2HB HIS 49 2HB HIS 49 -2.003 -14.586 -4.897 416 HD1 HIS 49 HD1 HIS 49 0.595 -17.190 -4.053 417 HD2 HIS 49 HD2 HIS 49 -1.002 -15.264 -7.370 418 HE1 HIS 49 HE1 HIS 49 1.527 -18.405 -6.048 419 HE2 HIS 49 HE2 HIS 49 0.479 -17.274 -8.042 420 H ALA 50 H ALA 50 -1.412 -13.773 -1.611 421 HA ALA 50 HA ALA 50 -3.262 -11.688 -2.137 422 1HB ALA 50 1HB ALA 50 -3.630 -13.438 -0.443 423 2HB ALA 50 2HB ALA 50 -2.340 -12.738 0.535 424 3HB ALA 50 3HB ALA 50 -3.805 -11.812 0.217 425 H LEU 51 H LEU 51 -0.053 -11.781 -0.711 426 HA LEU 51 HA LEU 51 -0.009 -9.226 0.429 427 1HB LEU 51 1HB LEU 51 1.990 -11.223 -0.414 428 2HB LEU 51 2HB LEU 51 2.573 -9.570 -0.339 429 HG LEU 51 HG LEU 51 1.316 -11.116 1.931 430 1HD1 LEU 51 1HD1 LEU 51 3.829 -11.391 1.008 431 2HD1 LEU 51 2HD1 LEU 51 4.052 -10.036 2.115 432 3HD1 LEU 51 3HD1 LEU 51 3.384 -11.559 2.708 433 1HD2 LEU 51 1HD2 LEU 51 0.935 -9.182 2.946 434 2HD2 LEU 51 2HD2 LEU 51 2.629 -8.734 2.766 435 3HD2 LEU 51 3HD2 LEU 51 1.469 -8.317 1.507 436 H MET 52 H MET 52 1.014 -10.303 -2.804 437 HA MET 52 HA MET 52 1.919 -7.891 -3.812 438 1HB MET 52 1HB MET 52 2.066 -10.122 -4.939 439 2HB MET 52 2HB MET 52 0.370 -9.960 -5.372 440 1HG MET 52 1HG MET 52 1.735 -9.347 -7.244 441 2HG MET 52 2HG MET 52 0.911 -7.916 -6.630 442 1HE MET 52 1HE MET 52 2.445 -6.025 -7.597 443 2HE MET 52 2HE MET 52 1.978 -5.836 -5.907 444 3HE MET 52 3HE MET 52 3.626 -5.466 -6.413 445 H GLN 53 H GLN 53 -1.375 -9.114 -3.563 446 HA GLN 53 HA GLN 53 -2.541 -6.925 -4.998 447 1HB GLN 53 1HB GLN 53 -3.948 -8.814 -3.112 448 2HB GLN 53 2HB GLN 53 -4.655 -7.890 -4.431 449 1HG GLN 53 1HG GLN 53 -2.522 -9.888 -5.013 450 2HG GLN 53 2HG GLN 53 -4.172 -10.429 -4.710 451 1HE2 GLN 53 1HE2 GLN 53 -3.312 -9.518 -8.353 452 2HE2 GLN 53 2HE2 GLN 53 -2.302 -10.211 -7.135 453 H GLU 54 H GLU 54 -1.789 -7.638 -1.665 454 HA GLU 54 HA GLU 54 -3.427 -5.728 -0.420 455 1HB GLU 54 1HB GLU 54 -1.555 -7.609 0.406 456 2HB GLU 54 2HB GLU 54 -0.851 -6.075 0.897 457 1HG GLU 54 1HG GLU 54 -2.617 -5.575 2.318 458 2HG GLU 54 2HG GLU 54 -3.701 -6.720 1.529 459 H LEU 55 H LEU 55 0.002 -5.506 -1.389 460 HA LEU 55 HA LEU 55 0.406 -2.846 -0.659 461 1HB LEU 55 1HB LEU 55 2.051 -4.691 -1.452 462 2HB LEU 55 2HB LEU 55 1.714 -4.073 -3.058 463 HG LEU 55 HG LEU 55 2.608 -1.913 -2.488 464 1HD1 LEU 55 1HD1 LEU 55 2.379 -1.208 -0.388 465 2HD1 LEU 55 2HD1 LEU 55 2.192 -2.852 0.226 466 3HD1 LEU 55 3HD1 LEU 55 3.803 -2.175 -0.006 467 1HD2 LEU 55 1HD2 LEU 55 4.851 -3.176 -1.331 468 2HD2 LEU 55 2HD2 LEU 55 4.091 -4.348 -2.407 469 3HD2 LEU 55 3HD2 LEU 55 4.580 -2.770 -3.025 470 H ASN 56 H ASN 56 -0.597 -4.223 -3.781 471 HA ASN 56 HA ASN 56 -0.718 -1.834 -5.222 472 1HB ASN 56 1HB ASN 56 -1.514 -4.569 -5.606 473 2HB ASN 56 2HB ASN 56 -2.794 -3.503 -6.175 474 1HD2 ASN 56 1HD2 ASN 56 0.624 -3.939 -8.245 475 2HD2 ASN 56 2HD2 ASN 56 0.307 -4.777 -6.768 476 H SER 57 H SER 57 -3.209 -3.482 -3.311 477 HA SER 57 HA SER 57 -5.227 -1.538 -3.848 478 1HB SER 57 1HB SER 57 -4.959 -3.867 -1.984 479 2HB SER 57 2HB SER 57 -6.263 -2.707 -1.730 480 HG SER 57 HG SER 57 -5.761 -3.999 -4.203 481 H LEU 58 H LEU 58 -2.787 -1.962 -1.378 482 HA LEU 58 HA LEU 58 -3.866 0.091 0.332 483 1HB LEU 58 1HB LEU 58 -1.522 -1.729 0.383 484 2HB LEU 58 2HB LEU 58 -1.394 -0.238 1.297 485 HG LEU 58 HG LEU 58 -3.686 -2.160 1.655 486 1HD1 LEU 58 1HD1 LEU 58 -1.409 -2.028 3.570 487 2HD1 LEU 58 2HD1 LEU 58 -2.560 -3.331 3.272 488 3HD1 LEU 58 3HD1 LEU 58 -1.257 -3.026 2.122 489 1HD2 LEU 58 1HD2 LEU 58 -2.590 0.116 3.302 490 2HD2 LEU 58 2HD2 LEU 58 -4.141 0.057 2.463 491 3HD2 LEU 58 3HD2 LEU 58 -3.846 -0.997 3.845 492 H TRP 59 H TRP 59 -1.694 -0.055 -2.350 493 HA TRP 59 HA TRP 59 -0.512 2.530 -1.753 494 1HB TRP 59 1HB TRP 59 1.002 0.918 -2.644 495 2HB TRP 59 2HB TRP 59 -0.103 0.497 -3.945 496 HD1 TRP 59 HD1 TRP 59 0.199 1.728 -6.178 497 HE1 TRP 59 HE1 TRP 59 1.711 3.629 -7.017 498 HE3 TRP 59 HE3 TRP 59 2.167 3.251 -1.702 499 HZ2 TRP 59 HZ2 TRP 59 3.502 5.516 -5.937 500 HZ3 TRP 59 HZ3 TRP 59 3.782 5.098 -1.705 501 HH2 TRP 59 HH2 TRP 59 4.431 6.212 -3.777 502 H GLY 60 H GLY 60 -3.026 1.109 -3.687 503 1HA GLY 60 1HA GLY 60 -3.319 3.225 -5.565 504 2HA GLY 60 2HA GLY 60 -4.526 2.009 -5.188 505 H THR 61 H THR 61 -5.516 2.345 -2.883 506 HA THR 61 HA THR 61 -7.018 4.677 -2.868 507 HB THR 61 HB THR 61 -7.024 2.425 -1.385 508 HG1 THR 61 HG1 THR 61 -8.772 3.285 -0.425 509 1HG2 THR 61 1HG2 THR 61 -5.414 2.733 0.211 510 2HG2 THR 61 2HG2 THR 61 -5.772 4.452 0.383 511 3HG2 THR 61 3HG2 THR 61 -6.890 3.254 1.021 512 H PHE 62 H PHE 62 -4.139 3.815 -1.107 513 HA PHE 62 HA PHE 62 -3.515 6.059 0.343 514 1HB PHE 62 1HB PHE 62 -2.167 4.032 0.369 515 2HB PHE 62 2HB PHE 62 -1.716 4.279 -1.316 516 HD1 PHE 62 HD1 PHE 62 0.620 4.192 -0.942 517 HD2 PHE 62 HD2 PHE 62 -1.793 7.003 1.160 518 HE1 PHE 62 HE1 PHE 62 2.642 5.383 -0.217 519 HE2 PHE 62 HE2 PHE 62 0.232 8.200 1.884 520 HZ PHE 62 HZ PHE 62 2.451 7.384 1.192 521 H LYS 63 H LYS 63 -2.597 5.349 -2.978 522 HA LYS 63 HA LYS 63 -1.325 7.699 -3.664 523 1HB LYS 63 1HB LYS 63 -2.272 5.351 -4.944 524 2HB LYS 63 2HB LYS 63 -2.834 6.704 -5.890 525 1HG LYS 63 1HG LYS 63 -0.534 7.539 -6.056 526 2HG LYS 63 2HG LYS 63 0.018 6.153 -5.115 527 1HD LYS 63 1HD LYS 63 -1.260 6.123 -7.846 528 2HD LYS 63 2HD LYS 63 0.399 5.688 -7.437 529 1HE LYS 63 1HE LYS 63 -0.319 3.580 -7.317 530 2HE LYS 63 2HE LYS 63 -1.128 4.035 -5.815 531 1HZ LYS 63 1HZ LYS 63 -3.118 4.536 -7.072 532 2HZ LYS 63 2HZ LYS 63 -2.340 4.169 -8.527 533 3HZ LYS 63 3HZ LYS 63 -2.625 2.949 -7.392 534 H THR 64 H THR 64 -4.802 6.955 -3.703 535 HA THR 64 HA THR 64 -5.758 9.153 -5.083 536 HB THR 64 HB THR 64 -6.960 7.920 -2.591 537 HG1 THR 64 HG1 THR 64 -8.138 6.682 -4.120 538 1HG2 THR 64 1HG2 THR 64 -7.874 10.173 -3.585 539 2HG2 THR 64 2HG2 THR 64 -8.615 9.083 -4.755 540 3HG2 THR 64 3HG2 THR 64 -8.959 8.898 -3.036 541 H GLU 65 H GLU 65 -4.602 8.872 -1.797 542 HA GLU 65 HA GLU 65 -5.143 11.652 -1.179 543 1HB GLU 65 1HB GLU 65 -3.503 9.733 0.471 544 2HB GLU 65 2HB GLU 65 -4.361 11.168 1.012 545 1HG GLU 65 1HG GLU 65 -5.972 9.004 -0.204 546 2HG GLU 65 2HG GLU 65 -5.284 8.709 1.392 547 H VAL 66 H VAL 66 -2.519 9.612 -2.225 548 HA VAL 66 HA VAL 66 -0.350 11.208 -1.590 549 HB VAL 66 HB VAL 66 -0.678 9.351 -3.925 550 1HG1 VAL 66 1HG1 VAL 66 2.039 9.772 -3.013 551 2HG1 VAL 66 2HG1 VAL 66 1.379 9.833 -4.646 552 3HG1 VAL 66 3HG1 VAL 66 1.315 11.262 -3.617 553 1HG2 VAL 66 1HG2 VAL 66 0.840 8.906 -1.365 554 2HG2 VAL 66 2HG2 VAL 66 -0.859 8.474 -1.548 555 3HG2 VAL 66 3HG2 VAL 66 0.358 7.711 -2.571 556 H TYR 67 H TYR 67 -2.435 11.278 -4.445 557 HA TYR 67 HA TYR 67 -0.981 13.199 -5.885 558 1HB TYR 67 1HB TYR 67 -3.453 11.804 -6.173 559 2HB TYR 67 2HB TYR 67 -3.753 13.514 -6.462 560 HD1 TYR 67 HD1 TYR 67 -0.866 11.279 -7.255 561 HD2 TYR 67 HD2 TYR 67 -3.869 13.903 -8.737 562 HE1 TYR 67 HE1 TYR 67 0.063 11.051 -9.519 563 HE2 TYR 67 HE2 TYR 67 -2.949 13.682 -11.007 564 HH TYR 67 HH TYR 67 -1.252 11.465 -12.102 565 H ASN 68 H ASN 68 -3.475 13.524 -3.412 566 HA ASN 68 HA ASN 68 -3.454 16.417 -3.705 567 1HB ASN 68 1HB ASN 68 -5.269 16.452 -2.107 568 2HB ASN 68 2HB ASN 68 -5.602 15.245 -3.343 569 1HD2 ASN 68 1HD2 ASN 68 -6.438 13.066 -0.795 570 2HD2 ASN 68 2HD2 ASN 68 -6.914 13.939 -2.208 571 H LEU 69 H LEU 69 -1.741 14.087 -1.917 572 HA LEU 69 HA LEU 69 -1.386 15.424 0.527 573 1HB LEU 69 1HB LEU 69 0.223 13.869 1.020 574 2HB LEU 69 2HB LEU 69 -0.624 13.033 -0.262 575 HG LEU 69 HG LEU 69 1.198 14.054 -1.817 576 1HD1 LEU 69 1HD1 LEU 69 2.244 15.585 -0.300 577 2HD1 LEU 69 2HD1 LEU 69 2.485 14.316 0.898 578 3HD1 LEU 69 3HD1 LEU 69 3.382 14.280 -0.618 579 1HD2 LEU 69 1HD2 LEU 69 1.820 11.925 -1.869 580 2HD2 LEU 69 2HD2 LEU 69 2.679 12.116 -0.342 581 3HD2 LEU 69 3HD2 LEU 69 0.979 11.648 -0.344 582 H ARG 70 H ARG 70 0.261 15.727 -2.570 583 HA ARG 70 HA ARG 70 2.215 17.562 -1.601 584 1HB ARG 70 1HB ARG 70 1.385 16.762 -4.380 585 2HB ARG 70 2HB ARG 70 2.657 17.936 -4.070 586 1HG ARG 70 1HG ARG 70 3.330 15.757 -2.488 587 2HG ARG 70 2HG ARG 70 2.741 15.048 -3.993 588 1HD ARG 70 1HD ARG 70 4.628 15.590 -5.033 589 2HD ARG 70 2HD ARG 70 4.431 17.284 -4.588 590 HE ARG 70 HE ARG 70 5.399 16.083 -2.332 591 1HH1 ARG 70 1HH1 ARG 70 8.151 16.250 -5.238 592 2HH1 ARG 70 2HH1 ARG 70 6.471 16.336 -5.644 593 1HH2 ARG 70 1HH2 ARG 70 8.798 16.046 -3.053 594 2HH2 ARG 70 2HH2 ARG 70 7.609 15.974 -1.796 595 H MET 71 H MET 71 -0.937 17.955 -1.911 596 HA MET 71 HA MET 71 -0.720 20.797 -2.636 597 1HB MET 71 1HB MET 71 -3.173 19.046 -2.879 598 2HB MET 71 2HB MET 71 -3.024 20.720 -3.397 599 1HG MET 71 1HG MET 71 -1.048 18.890 -4.557 600 2HG MET 71 2HG MET 71 -2.721 18.570 -5.009 601 1HE MET 71 1HE MET 71 0.295 20.950 -5.162 602 2HE MET 71 2HE MET 71 -0.348 22.410 -5.913 603 3HE MET 71 3HE MET 71 -0.800 21.996 -4.259 604 H ASN 72 H ASN 72 -1.854 18.451 -0.332 605 HA ASN 72 HA ASN 72 -3.135 20.524 1.288 606 1HB ASN 72 1HB ASN 72 -3.218 17.534 1.252 607 2HB ASN 72 2HB ASN 72 -3.596 18.376 2.751 608 1HD2 ASN 72 1HD2 ASN 72 -6.885 18.564 1.714 609 2HD2 ASN 72 2HD2 ASN 72 -5.730 18.045 2.889 610 H LEU 73 H LEU 73 -1.044 17.728 2.022 611 HA LEU 73 HA LEU 73 -0.011 18.915 4.387 612 1HB LEU 73 1HB LEU 73 0.290 16.408 2.933 613 2HB LEU 73 2HB LEU 73 1.794 16.942 3.656 614 HG LEU 73 HG LEU 73 -0.535 17.056 5.453 615 1HD1 LEU 73 1HD1 LEU 73 0.245 14.385 5.630 616 2HD1 LEU 73 2HD1 LEU 73 -1.309 15.010 5.078 617 3HD1 LEU 73 3HD1 LEU 73 -0.028 14.673 3.911 618 1HD2 LEU 73 1HD2 LEU 73 1.028 16.401 7.067 619 2HD2 LEU 73 2HD2 LEU 73 2.106 15.692 5.866 620 3HD2 LEU 73 3HD2 LEU 73 1.939 17.444 5.973 621 H GLY 74 H GLY 74 0.682 20.984 3.514 622 1HA GLY 74 1HA GLY 74 3.491 20.987 2.949 623 2HA GLY 74 2HA GLY 74 2.538 21.459 1.551 624 H GLY 75 H GLY 75 2.747 22.185 5.040 625 1HA GLY 75 1HA GLY 75 1.737 24.855 4.627 626 2HA GLY 75 2HA GLY 75 2.298 24.173 6.147 627 H THR 76 H THR 76 3.033 26.637 5.902 628 HA THR 76 HA THR 76 5.445 27.034 4.412 629 HB THR 76 HB THR 76 4.123 28.969 4.808 630 HG1 THR 76 HG1 THR 76 6.524 29.063 5.223 631 1HG2 THR 76 1HG2 THR 76 2.819 29.093 6.591 632 2HG2 THR 76 2HG2 THR 76 3.757 27.868 7.447 633 3HG2 THR 76 3HG2 THR 76 4.248 29.561 7.511 634 H GLY 77 H GLY 77 7.421 26.420 4.953 635 1HA GLY 77 1HA GLY 77 8.714 26.740 7.349 636 2HA GLY 77 2HA GLY 77 7.949 25.163 7.476 637 H PHE 78 H PHE 78 10.073 27.084 5.382 638 HA PHE 78 HA PHE 78 11.164 24.669 4.189 639 1HB PHE 78 1HB PHE 78 11.949 27.552 3.716 640 2HB PHE 78 2HB PHE 78 12.399 26.167 2.728 641 HD1 PHE 78 HD1 PHE 78 11.047 25.477 0.961 642 HD2 PHE 78 HD2 PHE 78 9.483 28.153 3.877 643 HE1 PHE 78 HE1 PHE 78 9.041 25.811 -0.425 644 HE2 PHE 78 HE2 PHE 78 7.476 28.489 2.499 645 HZ PHE 78 HZ PHE 78 7.252 27.319 0.344 646 H GLN 79 H GLN 79 12.723 23.597 5.192 647 HA GLN 79 HA GLN 79 14.444 24.971 7.100 648 1HB GLN 79 1HB GLN 79 13.267 22.500 7.147 649 2HB GLN 79 2HB GLN 79 14.899 22.103 6.628 650 1HG GLN 79 1HG GLN 79 15.831 22.713 8.609 651 2HG GLN 79 2HG GLN 79 14.598 23.927 8.945 652 1HE2 GLN 79 1HE2 GLN 79 13.694 20.007 9.740 653 2HE2 GLN 79 2HE2 GLN 79 14.655 20.420 8.366 Start of MODEL 39 1 1H MET 1 1H MET 1 -17.066 8.450 -5.206 2 2H MET 1 2H MET 1 -16.126 9.251 -4.015 3 3H MET 1 3H MET 1 -15.357 8.338 -5.247 4 HA MET 1 HA MET 1 -17.234 7.154 -3.331 5 1HB MET 1 1HB MET 1 -15.135 6.135 -5.250 6 2HB MET 1 2HB MET 1 -15.870 5.122 -4.016 7 1HG MET 1 1HG MET 1 -17.225 4.607 -5.751 8 2HG MET 1 2HG MET 1 -18.097 6.008 -5.132 9 1HE MET 1 1HE MET 1 -17.436 4.375 -8.203 10 2HE MET 1 2HE MET 1 -18.924 5.275 -7.913 11 3HE MET 1 3HE MET 1 -17.880 5.709 -9.266 12 H ASP 2 H ASP 2 -16.638 7.333 -1.279 13 HA ASP 2 HA ASP 2 -14.152 8.274 -0.398 14 1HB ASP 2 1HB ASP 2 -16.599 7.758 0.776 15 2HB ASP 2 2HB ASP 2 -15.536 6.585 1.549 16 H ARG 3 H ARG 3 -12.246 7.323 -0.270 17 HA ARG 3 HA ARG 3 -12.050 4.483 0.342 18 1HB ARG 3 1HB ARG 3 -12.036 5.065 -2.253 19 2HB ARG 3 2HB ARG 3 -10.357 5.458 -1.914 20 1HG ARG 3 1HG ARG 3 -10.448 3.209 -2.683 21 2HG ARG 3 2HG ARG 3 -10.084 3.175 -0.958 22 1HD ARG 3 1HD ARG 3 -12.467 2.739 -0.496 23 2HD ARG 3 2HD ARG 3 -12.774 2.692 -2.229 24 HE ARG 3 HE ARG 3 -11.123 0.752 -0.743 25 1HH1 ARG 3 1HH1 ARG 3 -13.096 -0.027 -4.144 26 2HH1 ARG 3 2HH1 ARG 3 -13.108 1.580 -3.502 27 1HH2 ARG 3 1HH2 ARG 3 -11.974 -1.694 -3.057 28 2HH2 ARG 3 2HH2 ARG 3 -11.121 -1.359 -1.586 29 H VAL 4 H VAL 4 -11.088 4.985 2.293 30 HA VAL 4 HA VAL 4 -8.365 6.060 2.086 31 HB VAL 4 HB VAL 4 -8.714 7.252 4.268 32 1HG1 VAL 4 1HG1 VAL 4 -10.481 8.279 2.056 33 2HG1 VAL 4 2HG1 VAL 4 -9.614 9.221 3.270 34 3HG1 VAL 4 3HG1 VAL 4 -8.719 8.356 2.020 35 1HG2 VAL 4 1HG2 VAL 4 -11.078 5.879 4.350 36 2HG2 VAL 4 2HG2 VAL 4 -10.670 7.274 5.350 37 3HG2 VAL 4 3HG2 VAL 4 -11.597 7.494 3.864 38 H LEU 5 H LEU 5 -6.908 4.893 3.121 39 HA LEU 5 HA LEU 5 -7.746 2.593 4.682 40 1HB LEU 5 1HB LEU 5 -5.619 1.755 4.362 41 2HB LEU 5 2HB LEU 5 -5.924 2.610 2.889 42 HG LEU 5 HG LEU 5 -4.235 3.622 5.169 43 1HD1 LEU 5 1HD1 LEU 5 -3.003 1.917 4.132 44 2HD1 LEU 5 2HD1 LEU 5 -3.587 2.346 2.528 45 3HD1 LEU 5 3HD1 LEU 5 -2.445 3.399 3.361 46 1HD2 LEU 5 1HD2 LEU 5 -5.199 5.474 4.103 47 2HD2 LEU 5 2HD2 LEU 5 -3.591 5.300 3.397 48 3HD2 LEU 5 3HD2 LEU 5 -5.012 4.745 2.510 49 H SER 6 H SER 6 -7.560 2.335 6.810 50 HA SER 6 HA SER 6 -7.311 4.604 8.465 51 1HB SER 6 1HB SER 6 -7.489 3.010 10.340 52 2HB SER 6 2HB SER 6 -8.692 2.687 9.094 53 HG SER 6 HG SER 6 -6.241 1.310 9.485 54 H ARG 7 H ARG 7 -5.871 4.360 10.549 55 HA ARG 7 HA ARG 7 -3.240 4.900 9.817 56 1HB ARG 7 1HB ARG 7 -4.135 3.888 12.519 57 2HB ARG 7 2HB ARG 7 -2.718 4.870 12.171 58 1HG ARG 7 1HG ARG 7 -4.848 6.346 11.170 59 2HG ARG 7 2HG ARG 7 -5.444 5.672 12.688 60 1HD ARG 7 1HD ARG 7 -2.918 7.276 12.303 61 2HD ARG 7 2HD ARG 7 -4.404 7.832 13.072 62 HE ARG 7 HE ARG 7 -3.731 5.667 14.541 63 1HH1 ARG 7 1HH1 ARG 7 -0.943 8.515 14.949 64 2HH1 ARG 7 2HH1 ARG 7 -1.958 8.506 13.547 65 1HH2 ARG 7 1HH2 ARG 7 -1.194 6.911 16.561 66 2HH2 ARG 7 2HH2 ARG 7 -2.391 5.673 16.378 67 H ALA 8 H ALA 8 -4.775 1.911 10.813 68 HA ALA 8 HA ALA 8 -2.418 0.384 11.124 69 1HB ALA 8 1HB ALA 8 -4.931 -0.082 11.795 70 2HB ALA 8 2HB ALA 8 -4.935 -0.928 10.247 71 3HB ALA 8 3HB ALA 8 -3.793 -1.398 11.505 72 H ASP 9 H ASP 9 -4.549 1.011 8.357 73 HA ASP 9 HA ASP 9 -3.268 -0.851 6.631 74 1HB ASP 9 1HB ASP 9 -5.167 1.435 6.250 75 2HB ASP 9 2HB ASP 9 -4.443 0.659 4.862 76 H LYS 10 H LYS 10 -3.153 2.727 6.753 77 HA LYS 10 HA LYS 10 -1.162 3.024 4.821 78 1HB LYS 10 1HB LYS 10 -0.818 5.263 5.704 79 2HB LYS 10 2HB LYS 10 -2.533 4.891 5.623 80 1HG LYS 10 1HG LYS 10 -2.795 4.969 7.866 81 2HG LYS 10 2HG LYS 10 -1.180 4.340 8.186 82 1HD LYS 10 1HD LYS 10 -1.551 7.075 7.031 83 2HD LYS 10 2HD LYS 10 -1.699 6.805 8.769 84 1HE LYS 10 1HE LYS 10 0.579 5.636 8.578 85 2HE LYS 10 2HE LYS 10 0.696 6.414 7.000 86 1HZ LYS 10 1HZ LYS 10 0.097 8.523 8.395 87 2HZ LYS 10 2HZ LYS 10 0.734 7.617 9.674 88 3HZ LYS 10 3HZ LYS 10 1.693 7.962 8.324 89 H GLU 11 H GLU 11 -0.928 2.365 8.263 90 HA GLU 11 HA GLU 11 1.911 2.715 8.391 91 1HB GLU 11 1HB GLU 11 -0.115 1.452 10.229 92 2HB GLU 11 2HB GLU 11 1.609 1.372 10.566 93 1HG GLU 11 1HG GLU 11 0.458 4.035 9.986 94 2HG GLU 11 2HG GLU 11 0.055 3.287 11.531 95 H ARG 12 H ARG 12 -0.296 0.090 7.729 96 HA ARG 12 HA ARG 12 1.598 -2.021 7.893 97 1HB ARG 12 1HB ARG 12 -0.869 -2.338 7.992 98 2HB ARG 12 2HB ARG 12 -0.967 -1.903 6.290 99 1HG ARG 12 1HG ARG 12 0.681 -3.847 5.927 100 2HG ARG 12 2HG ARG 12 0.202 -4.352 7.548 101 1HD ARG 12 1HD ARG 12 -2.210 -3.840 6.351 102 2HD ARG 12 2HD ARG 12 -1.261 -4.494 5.019 103 HE ARG 12 HE ARG 12 -1.144 -6.537 6.115 104 1HH1 ARG 12 1HH1 ARG 12 -3.385 -5.341 9.213 105 2HH1 ARG 12 2HH1 ARG 12 -2.739 -4.162 8.123 106 1HH2 ARG 12 1HH2 ARG 12 -2.951 -7.562 8.899 107 2HH2 ARG 12 2HH2 ARG 12 -1.981 -8.081 7.561 108 H LEU 13 H LEU 13 0.761 0.324 5.478 109 HA LEU 13 HA LEU 13 1.931 -1.014 3.246 110 1HB LEU 13 1HB LEU 13 0.274 0.666 2.839 111 2HB LEU 13 2HB LEU 13 1.154 1.848 3.786 112 HG LEU 13 HG LEU 13 2.993 1.337 1.875 113 1HD1 LEU 13 1HD1 LEU 13 0.788 -0.009 0.901 114 2HD1 LEU 13 2HD1 LEU 13 0.749 1.530 0.045 115 3HD1 LEU 13 3HD1 LEU 13 2.190 0.515 -0.032 116 1HD2 LEU 13 1HD2 LEU 13 0.740 3.262 1.398 117 2HD2 LEU 13 2HD2 LEU 13 1.921 3.498 2.688 118 3HD2 LEU 13 3HD2 LEU 13 2.450 3.448 1.005 119 H LEU 14 H LEU 14 3.017 1.237 5.699 120 HA LEU 14 HA LEU 14 5.527 1.846 4.524 121 1HB LEU 14 1HB LEU 14 4.342 2.144 7.256 122 2HB LEU 14 2HB LEU 14 6.057 2.415 7.022 123 HG LEU 14 HG LEU 14 3.781 3.945 5.776 124 1HD1 LEU 14 1HD1 LEU 14 5.378 5.775 6.902 125 2HD1 LEU 14 2HD1 LEU 14 4.051 4.990 7.762 126 3HD1 LEU 14 3HD1 LEU 14 5.703 4.407 7.966 127 1HD2 LEU 14 1HD2 LEU 14 6.165 5.216 5.135 128 2HD2 LEU 14 2HD2 LEU 14 6.468 3.514 4.797 129 3HD2 LEU 14 3HD2 LEU 14 5.106 4.335 4.033 130 H GLU 15 H GLU 15 4.424 -0.597 6.809 131 HA GLU 15 HA GLU 15 6.894 -1.596 7.631 132 1HB GLU 15 1HB GLU 15 4.260 -2.231 8.103 133 2HB GLU 15 2HB GLU 15 4.832 -3.645 7.229 134 1HG GLU 15 1HG GLU 15 6.112 -2.497 9.700 135 2HG GLU 15 2HG GLU 15 5.024 -3.885 9.662 136 H LEU 16 H LEU 16 4.801 -2.790 5.005 137 HA LEU 16 HA LEU 16 6.737 -4.628 4.020 138 1HB LEU 16 1HB LEU 16 4.148 -3.536 2.983 139 2HB LEU 16 2HB LEU 16 5.172 -4.510 1.946 140 HG LEU 16 HG LEU 16 4.891 -5.918 4.392 141 1HD1 LEU 16 1HD1 LEU 16 2.595 -4.301 3.852 142 2HD1 LEU 16 2HD1 LEU 16 2.183 -6.000 3.621 143 3HD1 LEU 16 3HD1 LEU 16 2.862 -5.458 5.155 144 1HD2 LEU 16 1HD2 LEU 16 3.250 -6.867 2.191 145 2HD2 LEU 16 2HD2 LEU 16 4.875 -6.421 1.676 146 3HD2 LEU 16 3HD2 LEU 16 4.652 -7.610 2.959 147 H LEU 17 H LEU 17 6.501 -1.269 3.787 148 HA LEU 17 HA LEU 17 7.770 -1.087 1.184 149 1HB LEU 17 1HB LEU 17 6.509 0.806 3.068 150 2HB LEU 17 2HB LEU 17 7.807 1.442 2.078 151 HG LEU 17 HG LEU 17 5.358 1.663 1.261 152 1HD1 LEU 17 1HD1 LEU 17 6.101 1.798 -0.952 153 2HD1 LEU 17 2HD1 LEU 17 7.540 2.099 0.021 154 3HD1 LEU 17 3HD1 LEU 17 7.291 0.519 -0.719 155 1HD2 LEU 17 1HD2 LEU 17 5.391 -1.076 1.498 156 2HD2 LEU 17 2HD2 LEU 17 4.232 -0.133 0.563 157 3HD2 LEU 17 3HD2 LEU 17 5.648 -0.822 -0.229 158 H LYS 18 H LYS 18 8.829 -1.565 4.327 159 HA LYS 18 HA LYS 18 10.851 -1.335 5.361 160 1HB LYS 18 1HB LYS 18 11.380 -1.924 2.565 161 2HB LYS 18 2HB LYS 18 12.682 -1.002 3.297 162 1HG LYS 18 1HG LYS 18 13.471 -2.891 4.144 163 2HG LYS 18 2HG LYS 18 12.032 -2.985 5.159 164 1HD LYS 18 1HD LYS 18 11.390 -4.811 4.066 165 2HD LYS 18 2HD LYS 18 11.310 -3.883 2.568 166 1HE LYS 18 1HE LYS 18 13.294 -4.668 1.818 167 2HE LYS 18 2HE LYS 18 14.005 -4.715 3.431 168 1HZ LYS 18 1HZ LYS 18 11.936 -6.655 2.591 169 2HZ LYS 18 2HZ LYS 18 13.578 -6.920 2.281 170 3HZ LYS 18 3HZ LYS 18 13.033 -6.774 3.874 171 H LEU 19 H LEU 19 9.302 1.057 4.350 172 HA LEU 19 HA LEU 19 11.435 3.064 4.433 173 1HB LEU 19 1HB LEU 19 10.098 3.065 2.385 174 2HB LEU 19 2HB LEU 19 8.629 3.212 3.328 175 HG LEU 19 HG LEU 19 10.608 5.344 3.778 176 1HD1 LEU 19 1HD1 LEU 19 9.745 4.615 1.092 177 2HD1 LEU 19 2HD1 LEU 19 9.353 6.280 1.525 178 3HD1 LEU 19 3HD1 LEU 19 11.020 5.713 1.617 179 1HD2 LEU 19 1HD2 LEU 19 8.774 6.329 4.550 180 2HD2 LEU 19 2HD2 LEU 19 7.984 6.174 2.982 181 3HD2 LEU 19 3HD2 LEU 19 7.866 4.873 4.164 182 HA PRO 20 HA PRO 20 10.077 3.602 8.690 183 1HB PRO 20 1HB PRO 20 11.400 6.224 8.153 184 2HB PRO 20 2HB PRO 20 11.571 5.139 9.537 185 1HG PRO 20 1HG PRO 20 13.433 5.245 7.626 186 2HG PRO 20 2HG PRO 20 13.007 3.716 8.417 187 1HD PRO 20 1HD PRO 20 12.366 4.681 5.688 188 2HD PRO 20 2HD PRO 20 12.562 3.020 6.284 189 H ARG 21 H ARG 21 8.851 5.169 9.918 190 HA ARG 21 HA ARG 21 6.745 6.370 8.315 191 1HB ARG 21 1HB ARG 21 6.911 6.200 11.320 192 2HB ARG 21 2HB ARG 21 5.478 6.485 10.343 193 1HG ARG 21 1HG ARG 21 5.152 4.305 9.962 194 2HG ARG 21 2HG ARG 21 6.873 3.979 9.742 195 1HD ARG 21 1HD ARG 21 5.766 4.563 12.461 196 2HD ARG 21 2HD ARG 21 5.628 2.950 11.768 197 HE ARG 21 HE ARG 21 8.248 4.264 12.018 198 1HH1 ARG 21 1HH1 ARG 21 7.382 0.601 13.396 199 2HH1 ARG 21 2HH1 ARG 21 6.119 1.578 12.729 200 1HH2 ARG 21 1HH2 ARG 21 9.520 1.387 13.491 201 2HH2 ARG 21 2HH2 ARG 21 9.896 2.970 12.895 202 H GLN 22 H GLN 22 9.649 7.379 9.507 203 HA GLN 22 HA GLN 22 8.901 9.954 10.538 204 1HB GLN 22 1HB GLN 22 10.978 8.567 11.128 205 2HB GLN 22 2HB GLN 22 11.644 9.135 9.606 206 1HG GLN 22 1HG GLN 22 11.560 11.408 10.337 207 2HG GLN 22 2HG GLN 22 10.682 10.956 11.797 208 1HE2 GLN 22 1HE2 GLN 22 14.188 11.470 12.740 209 2HE2 GLN 22 2HE2 GLN 22 12.889 12.418 12.108 210 H LEU 23 H LEU 23 9.928 8.639 7.482 211 HA LEU 23 HA LEU 23 9.976 11.319 6.314 212 1HB LEU 23 1HB LEU 23 11.198 10.433 4.482 213 2HB LEU 23 2HB LEU 23 11.932 9.825 5.947 214 HG LEU 23 HG LEU 23 11.959 8.065 4.353 215 1HD1 LEU 23 1HD1 LEU 23 11.259 7.464 6.688 216 2HD1 LEU 23 2HD1 LEU 23 9.600 7.422 6.092 217 3HD1 LEU 23 3HD1 LEU 23 10.796 6.304 5.436 218 1HD2 LEU 23 1HD2 LEU 23 10.020 9.178 3.052 219 2HD2 LEU 23 2HD2 LEU 23 10.253 7.436 2.964 220 3HD2 LEU 23 3HD2 LEU 23 9.005 8.103 4.013 221 H TRP 24 H TRP 24 7.607 9.479 7.036 222 HA TRP 24 HA TRP 24 6.256 8.627 4.764 223 1HB TRP 24 1HB TRP 24 5.456 8.035 6.941 224 2HB TRP 24 2HB TRP 24 5.246 9.719 7.392 225 HD1 TRP 24 HD1 TRP 24 2.987 10.885 6.732 226 HE1 TRP 24 HE1 TRP 24 0.766 10.013 5.766 227 HE3 TRP 24 HE3 TRP 24 4.516 6.253 5.223 228 HZ2 TRP 24 HZ2 TRP 24 -0.207 7.667 4.535 229 HZ3 TRP 24 HZ3 TRP 24 2.882 4.749 4.157 230 HH2 TRP 24 HH2 TRP 24 0.569 5.449 3.820 231 H GLY 25 H GLY 25 6.273 9.954 2.998 232 1HA GLY 25 1HA GLY 25 4.355 11.755 2.465 233 2HA GLY 25 2HA GLY 25 5.560 12.754 3.257 234 H ASP 26 H ASP 26 7.769 11.119 2.130 235 HA ASP 26 HA ASP 26 8.079 12.604 -0.297 236 1HB ASP 26 1HB ASP 26 9.888 11.887 1.432 237 2HB ASP 26 2HB ASP 26 9.909 10.375 0.530 238 H PHE 27 H PHE 27 6.627 11.926 -1.831 239 HA PHE 27 HA PHE 27 5.829 9.359 -2.427 240 1HB PHE 27 1HB PHE 27 4.836 11.428 -3.378 241 2HB PHE 27 2HB PHE 27 6.234 11.570 -4.440 242 HD1 PHE 27 HD1 PHE 27 3.874 8.845 -3.450 243 HD2 PHE 27 HD2 PHE 27 5.819 10.942 -6.602 244 HE1 PHE 27 HE1 PHE 27 2.763 7.395 -5.095 245 HE2 PHE 27 HE2 PHE 27 4.709 9.497 -8.254 246 HZ PHE 27 HZ PHE 27 3.179 7.719 -7.502 247 H GLY 28 H GLY 28 8.767 11.007 -3.396 248 1HA GLY 28 1HA GLY 28 9.550 9.169 -5.407 249 2HA GLY 28 2HA GLY 28 10.607 10.301 -4.578 250 H ARG 29 H ARG 29 10.074 9.229 -1.919 251 HA ARG 29 HA ARG 29 11.974 7.063 -2.013 252 1HB ARG 29 1HB ARG 29 10.631 8.566 0.220 253 2HB ARG 29 2HB ARG 29 11.602 7.135 0.531 254 1HG ARG 29 1HG ARG 29 13.425 8.364 -0.826 255 2HG ARG 29 2HG ARG 29 12.458 9.804 -0.496 256 1HD ARG 29 1HD ARG 29 13.092 9.870 1.651 257 2HD ARG 29 2HD ARG 29 12.889 8.135 1.855 258 HE ARG 29 HE ARG 29 15.115 7.808 1.203 259 1HH1 ARG 29 1HH1 ARG 29 15.900 11.738 1.184 260 2HH1 ARG 29 2HH1 ARG 29 14.255 11.200 1.194 261 1HH2 ARG 29 1HH2 ARG 29 17.606 10.224 1.169 262 2HH2 ARG 29 2HH2 ARG 29 17.268 8.526 1.183 263 H MET 30 H MET 30 8.590 7.439 -0.973 264 HA MET 30 HA MET 30 8.201 4.812 -0.096 265 1HB MET 30 1HB MET 30 5.785 5.248 -0.463 266 2HB MET 30 2HB MET 30 6.593 6.517 0.445 267 1HG MET 30 1HG MET 30 6.710 7.888 -1.565 268 2HG MET 30 2HG MET 30 5.913 6.611 -2.484 269 1HE MET 30 1HE MET 30 4.695 7.453 1.293 270 2HE MET 30 2HE MET 30 5.725 8.733 0.655 271 3HE MET 30 3HE MET 30 4.008 9.032 0.916 272 H GLN 31 H GLN 31 7.685 6.256 -3.306 273 HA GLN 31 HA GLN 31 6.672 3.929 -4.525 274 1HB GLN 31 1HB GLN 31 6.651 6.341 -5.409 275 2HB GLN 31 2HB GLN 31 8.283 6.017 -5.977 276 1HG GLN 31 1HG GLN 31 7.229 3.962 -7.126 277 2HG GLN 31 2HG GLN 31 5.703 4.807 -6.871 278 1HE2 GLN 31 1HE2 GLN 31 6.497 7.464 -9.116 279 2HE2 GLN 31 2HE2 GLN 31 5.733 7.138 -7.600 280 H GLN 32 H GLN 32 9.959 5.212 -4.226 281 HA GLN 32 HA GLN 32 11.297 3.353 -5.814 282 1HB GLN 32 1HB GLN 32 12.338 5.387 -4.843 283 2HB GLN 32 2HB GLN 32 12.297 4.628 -3.258 284 1HG GLN 32 1HG GLN 32 14.435 4.159 -3.853 285 2HG GLN 32 2HG GLN 32 13.631 2.733 -4.505 286 1HE2 GLN 32 1HE2 GLN 32 14.240 3.514 -7.859 287 2HE2 GLN 32 2HE2 GLN 32 13.332 2.559 -6.740 288 H ALA 33 H ALA 33 10.096 3.150 -2.539 289 HA ALA 33 HA ALA 33 11.352 0.616 -1.993 290 1HB ALA 33 1HB ALA 33 9.418 0.875 -0.091 291 2HB ALA 33 2HB ALA 33 11.049 1.535 0.034 292 3HB ALA 33 3HB ALA 33 9.723 2.558 -0.521 293 H TYR 34 H TYR 34 8.053 1.766 -2.645 294 HA TYR 34 HA TYR 34 6.629 -0.562 -2.465 295 1HB TYR 34 1HB TYR 34 5.573 1.591 -2.936 296 2HB TYR 34 2HB TYR 34 6.301 1.621 -4.539 297 HD1 TYR 34 HD1 TYR 34 3.464 0.608 -2.610 298 HD2 TYR 34 HD2 TYR 34 5.657 -0.263 -6.160 299 HE1 TYR 34 HE1 TYR 34 1.529 -0.614 -3.517 300 HE2 TYR 34 HE2 TYR 34 3.716 -1.468 -7.069 301 HH TYR 34 HH TYR 34 0.641 -1.229 -5.797 302 H LYS 35 H LYS 35 8.537 0.553 -5.244 303 HA LYS 35 HA LYS 35 7.876 -1.708 -6.866 304 1HB LYS 35 1HB LYS 35 10.236 0.137 -7.221 305 2HB LYS 35 2HB LYS 35 9.443 -0.835 -8.451 306 1HG LYS 35 1HG LYS 35 7.964 1.317 -6.986 307 2HG LYS 35 2HG LYS 35 8.969 1.681 -8.390 308 1HD LYS 35 1HD LYS 35 7.524 -0.418 -9.320 309 2HD LYS 35 2HD LYS 35 6.358 0.329 -8.225 310 1HE LYS 35 1HE LYS 35 7.229 2.526 -9.465 311 2HE LYS 35 2HE LYS 35 7.535 1.354 -10.746 312 1HZ LYS 35 1HZ LYS 35 4.920 1.379 -9.402 313 2HZ LYS 35 2HZ LYS 35 5.250 2.532 -10.594 314 3HZ LYS 35 3HZ LYS 35 5.313 0.884 -10.971 315 H GLN 36 H GLN 36 10.516 -0.851 -4.713 316 HA GLN 36 HA GLN 36 12.277 -2.941 -5.396 317 1HB GLN 36 1HB GLN 36 12.584 -0.811 -3.876 318 2HB GLN 36 2HB GLN 36 12.105 -1.910 -2.591 319 1HG GLN 36 1HG GLN 36 14.202 -2.579 -2.451 320 2HG GLN 36 2HG GLN 36 14.049 -3.278 -4.060 321 1HE2 GLN 36 1HE2 GLN 36 15.522 -0.386 -5.652 322 2HE2 GLN 36 2HE2 GLN 36 14.152 -1.427 -5.810 323 H GLN 37 H GLN 37 9.572 -2.743 -3.166 324 HA GLN 37 HA GLN 37 10.028 -5.444 -2.191 325 1HB GLN 37 1HB GLN 37 7.727 -3.607 -1.553 326 2HB GLN 37 2HB GLN 37 8.270 -5.005 -0.634 327 1HG GLN 37 1HG GLN 37 9.760 -2.416 -1.000 328 2HG GLN 37 2HG GLN 37 8.954 -2.961 0.466 329 1HE2 GLN 37 1HE2 GLN 37 11.440 -5.638 0.882 330 2HE2 GLN 37 2HE2 GLN 37 9.725 -5.525 0.704 331 H SER 38 H SER 38 8.218 -3.847 -4.623 332 HA SER 38 HA SER 38 6.112 -5.777 -4.816 333 1HB SER 38 1HB SER 38 7.047 -3.483 -6.509 334 2HB SER 38 2HB SER 38 5.894 -4.643 -7.169 335 HG SER 38 HG SER 38 4.684 -4.196 -5.130 336 H LEU 39 H LEU 39 9.313 -5.409 -6.148 337 HA LEU 39 HA LEU 39 9.092 -7.209 -8.303 338 1HB LEU 39 1HB LEU 39 11.302 -5.973 -6.768 339 2HB LEU 39 2HB LEU 39 11.696 -7.429 -7.660 340 HG LEU 39 HG LEU 39 10.481 -4.947 -8.876 341 1HD1 LEU 39 1HD1 LEU 39 12.632 -4.283 -8.341 342 2HD1 LEU 39 2HD1 LEU 39 13.303 -5.892 -8.596 343 3HD1 LEU 39 3HD1 LEU 39 12.819 -4.911 -9.978 344 1HD2 LEU 39 1HD2 LEU 39 9.986 -7.153 -9.985 345 2HD2 LEU 39 2HD2 LEU 39 10.833 -5.975 -10.986 346 3HD2 LEU 39 3HD2 LEU 39 11.719 -7.315 -10.262 347 H LEU 40 H LEU 40 9.660 -7.693 -4.878 348 HA LEU 40 HA LEU 40 10.302 -10.499 -5.272 349 1HB LEU 40 1HB LEU 40 10.718 -10.608 -2.929 350 2HB LEU 40 2HB LEU 40 11.441 -9.128 -3.530 351 HG LEU 40 HG LEU 40 9.046 -8.182 -2.742 352 1HD1 LEU 40 1HD1 LEU 40 8.027 -9.338 -1.120 353 2HD1 LEU 40 2HD1 LEU 40 8.895 -10.722 -1.782 354 3HD1 LEU 40 3HD1 LEU 40 9.550 -9.852 -0.395 355 1HD2 LEU 40 1HD2 LEU 40 10.263 -7.598 -0.583 356 2HD2 LEU 40 2HD2 LEU 40 11.612 -8.530 -1.230 357 3HD2 LEU 40 3HD2 LEU 40 11.026 -7.110 -2.096 358 H LEU 41 H LEU 41 7.531 -8.562 -4.742 359 HA LEU 41 HA LEU 41 5.967 -10.735 -3.604 360 1HB LEU 41 1HB LEU 41 5.322 -7.894 -4.358 361 2HB LEU 41 2HB LEU 41 4.084 -9.032 -3.862 362 HG LEU 41 HG LEU 41 6.430 -8.142 -2.184 363 1HD1 LEU 41 1HD1 LEU 41 5.151 -6.376 -1.746 364 2HD1 LEU 41 2HD1 LEU 41 3.770 -7.069 -2.595 365 3HD1 LEU 41 3HD1 LEU 41 4.066 -7.485 -0.907 366 1HD2 LEU 41 1HD2 LEU 41 6.043 -10.238 -1.351 367 2HD2 LEU 41 2HD2 LEU 41 4.867 -9.313 -0.419 368 3HD2 LEU 41 3HD2 LEU 41 4.346 -10.236 -1.830 369 H HIS 42 H HIS 42 7.154 -10.501 -6.493 370 HA HIS 42 HA HIS 42 4.748 -10.780 -8.092 371 1HB HIS 42 1HB HIS 42 6.808 -9.543 -8.882 372 2HB HIS 42 2HB HIS 42 7.626 -11.098 -8.962 373 HD1 HIS 42 HD1 HIS 42 4.221 -9.963 -10.250 374 HD2 HIS 42 HD2 HIS 42 7.722 -11.773 -11.562 375 HE1 HIS 42 HE1 HIS 42 3.828 -10.508 -12.676 376 HE2 HIS 42 HE2 HIS 42 5.935 -11.672 -13.426 377 HA PRO 43 HA PRO 43 4.500 -15.184 -7.470 378 1HB PRO 43 1HB PRO 43 3.232 -15.759 -9.874 379 2HB PRO 43 2HB PRO 43 2.425 -15.279 -8.377 380 1HG PRO 43 1HG PRO 43 3.168 -13.621 -10.748 381 2HG PRO 43 2HG PRO 43 1.706 -13.557 -9.746 382 1HD PRO 43 1HD PRO 43 3.657 -11.750 -9.466 383 2HD PRO 43 2HD PRO 43 2.770 -12.364 -8.055 384 H ASP 44 H ASP 44 6.141 -13.666 -10.100 385 HA ASP 44 HA ASP 44 7.119 -16.128 -11.243 386 1HB ASP 44 1HB ASP 44 6.763 -13.708 -12.326 387 2HB ASP 44 2HB ASP 44 8.451 -13.539 -11.848 388 H LYS 45 H LYS 45 8.045 -14.000 -8.708 389 HA LYS 45 HA LYS 45 10.740 -15.175 -8.636 390 1HB LYS 45 1HB LYS 45 9.840 -12.799 -7.018 391 2HB LYS 45 2HB LYS 45 11.479 -13.293 -7.413 392 1HG LYS 45 1HG LYS 45 9.646 -12.565 -9.639 393 2HG LYS 45 2HG LYS 45 10.326 -11.279 -8.640 394 1HD LYS 45 1HD LYS 45 12.553 -11.950 -9.163 395 2HD LYS 45 2HD LYS 45 11.985 -13.422 -9.951 396 1HE LYS 45 1HE LYS 45 11.032 -12.190 -11.747 397 2HE LYS 45 2HE LYS 45 11.272 -10.660 -10.906 398 1HZ LYS 45 1HZ LYS 45 13.131 -10.546 -12.116 399 2HZ LYS 45 2HZ LYS 45 13.772 -11.661 -11.017 400 3HZ LYS 45 3HZ LYS 45 13.127 -12.197 -12.487 401 H GLY 46 H GLY 46 8.322 -16.536 -7.745 402 1HA GLY 46 1HA GLY 46 7.757 -17.943 -6.019 403 2HA GLY 46 2HA GLY 46 9.281 -17.512 -5.260 404 H GLY 47 H GLY 47 6.355 -15.643 -6.074 405 1HA GLY 47 1HA GLY 47 6.206 -14.886 -3.217 406 2HA GLY 47 2HA GLY 47 5.891 -13.747 -4.519 407 H SER 48 H SER 48 3.985 -13.943 -2.672 408 HA SER 48 HA SER 48 2.000 -15.900 -3.507 409 1HB SER 48 1HB SER 48 2.438 -14.204 -1.160 410 2HB SER 48 2HB SER 48 0.755 -14.231 -1.685 411 HG SER 48 HG SER 48 2.281 -16.590 -1.346 412 H HIS 49 H HIS 49 -0.070 -15.351 -4.283 413 HA HIS 49 HA HIS 49 -0.068 -13.097 -6.070 414 1HB HIS 49 1HB HIS 49 -1.681 -15.522 -5.662 415 2HB HIS 49 2HB HIS 49 -2.603 -14.123 -6.206 416 HD1 HIS 49 HD1 HIS 49 -1.243 -12.875 -8.369 417 HD2 HIS 49 HD2 HIS 49 -0.784 -16.955 -7.752 418 HE1 HIS 49 HE1 HIS 49 -0.471 -13.805 -10.575 419 HE2 HIS 49 HE2 HIS 49 -0.102 -16.259 -10.150 420 H ALA 50 H ALA 50 -1.524 -13.925 -3.005 421 HA ALA 50 HA ALA 50 -3.442 -11.810 -2.998 422 1HB ALA 50 1HB ALA 50 -4.244 -12.980 -1.296 423 2HB ALA 50 2HB ALA 50 -2.845 -14.051 -1.388 424 3HB ALA 50 3HB ALA 50 -2.800 -12.629 -0.345 425 H LEU 51 H LEU 51 -0.148 -12.175 -1.824 426 HA LEU 51 HA LEU 51 -0.037 -9.872 -0.220 427 1HB LEU 51 1HB LEU 51 1.932 -11.674 -1.501 428 2HB LEU 51 2HB LEU 51 2.517 -10.087 -1.035 429 HG LEU 51 HG LEU 51 1.387 -10.696 1.268 430 1HD1 LEU 51 1HD1 LEU 51 0.830 -13.007 -0.096 431 2HD1 LEU 51 2HD1 LEU 51 2.284 -13.432 0.809 432 3HD1 LEU 51 3HD1 LEU 51 0.861 -12.830 1.658 433 1HD2 LEU 51 1HD2 LEU 51 4.020 -11.822 0.326 434 2HD2 LEU 51 2HD2 LEU 51 3.741 -10.207 0.978 435 3HD2 LEU 51 3HD2 LEU 51 3.539 -11.623 2.011 436 H MET 52 H MET 52 0.986 -10.355 -3.599 437 HA MET 52 HA MET 52 1.871 -7.788 -4.136 438 1HB MET 52 1HB MET 52 2.069 -9.810 -5.623 439 2HB MET 52 2HB MET 52 0.400 -9.537 -6.102 440 1HG MET 52 1HG MET 52 2.011 -8.647 -7.721 441 2HG MET 52 2HG MET 52 0.965 -7.400 -7.046 442 1HE MET 52 1HE MET 52 2.235 -5.185 -5.406 443 2HE MET 52 2HE MET 52 3.359 -4.797 -6.707 444 3HE MET 52 3HE MET 52 1.755 -5.424 -7.086 445 H GLN 53 H GLN 53 -1.417 -9.094 -4.488 446 HA GLN 53 HA GLN 53 -2.516 -6.635 -5.425 447 1HB GLN 53 1HB GLN 53 -4.704 -7.726 -5.054 448 2HB GLN 53 2HB GLN 53 -3.599 -8.723 -5.987 449 1HG GLN 53 1HG GLN 53 -3.099 -10.041 -4.000 450 2HG GLN 53 2HG GLN 53 -4.194 -9.034 -3.052 451 1HE2 GLN 53 1HE2 GLN 53 -5.573 -12.144 -5.151 452 2HE2 GLN 53 2HE2 GLN 53 -3.895 -11.789 -4.936 453 H GLU 54 H GLU 54 -1.854 -7.952 -2.290 454 HA GLU 54 HA GLU 54 -3.695 -6.403 -0.792 455 1HB GLU 54 1HB GLU 54 -1.789 -8.376 -0.240 456 2HB GLU 54 2HB GLU 54 -1.238 -6.961 0.645 457 1HG GLU 54 1HG GLU 54 -3.911 -7.001 1.216 458 2HG GLU 54 2HG GLU 54 -3.510 -8.716 1.136 459 H LEU 55 H LEU 55 -0.271 -5.933 -1.601 460 HA LEU 55 HA LEU 55 0.054 -3.482 -0.263 461 1HB LEU 55 1HB LEU 55 1.957 -4.780 -0.882 462 2HB LEU 55 2HB LEU 55 1.498 -4.758 -2.572 463 HG LEU 55 HG LEU 55 1.835 -2.190 -2.382 464 1HD1 LEU 55 1HD1 LEU 55 3.171 -1.364 -0.689 465 2HD1 LEU 55 2HD1 LEU 55 2.129 -2.493 0.179 466 3HD1 LEU 55 3HD1 LEU 55 3.776 -2.961 -0.248 467 1HD2 LEU 55 1HD2 LEU 55 4.464 -3.458 -2.193 468 2HD2 LEU 55 2HD2 LEU 55 3.348 -4.260 -3.300 469 3HD2 LEU 55 3HD2 LEU 55 3.733 -2.552 -3.518 470 H ASN 56 H ASN 56 -0.993 -4.283 -3.535 471 HA ASN 56 HA ASN 56 -0.930 -1.676 -4.596 472 1HB ASN 56 1HB ASN 56 -1.546 -4.202 -5.564 473 2HB ASN 56 2HB ASN 56 -3.077 -3.337 -5.671 474 1HD2 ASN 56 1HD2 ASN 56 -0.080 -2.580 -8.242 475 2HD2 ASN 56 2HD2 ASN 56 0.029 -3.770 -6.994 476 H SER 57 H SER 57 -3.367 -3.438 -2.775 477 HA SER 57 HA SER 57 -5.443 -1.525 -3.130 478 1HB SER 57 1HB SER 57 -6.064 -2.812 -0.778 479 2HB SER 57 2HB SER 57 -6.493 -3.382 -2.391 480 HG SER 57 HG SER 57 -4.807 -4.771 -2.363 481 H LEU 58 H LEU 58 -2.805 -1.884 -0.870 482 HA LEU 58 HA LEU 58 -3.808 0.146 0.931 483 1HB LEU 58 1HB LEU 58 -1.375 -1.583 0.806 484 2HB LEU 58 2HB LEU 58 -1.349 -0.147 1.815 485 HG LEU 58 HG LEU 58 -3.417 -2.331 2.066 486 1HD1 LEU 58 1HD1 LEU 58 -0.851 -1.898 3.585 487 2HD1 LEU 58 2HD1 LEU 58 -2.151 -2.972 4.103 488 3HD1 LEU 58 3HD1 LEU 58 -1.289 -3.294 2.599 489 1HD2 LEU 58 1HD2 LEU 58 -2.720 0.097 3.698 490 2HD2 LEU 58 2HD2 LEU 58 -4.269 -0.323 2.970 491 3HD2 LEU 58 3HD2 LEU 58 -3.661 -1.244 4.342 492 H TRP 59 H TRP 59 -1.592 -0.111 -1.739 493 HA TRP 59 HA TRP 59 -0.531 2.560 -1.353 494 1HB TRP 59 1HB TRP 59 1.034 0.902 -2.089 495 2HB TRP 59 2HB TRP 59 -0.044 0.371 -3.370 496 HD1 TRP 59 HD1 TRP 59 0.336 1.370 -5.684 497 HE1 TRP 59 HE1 TRP 59 1.828 3.230 -6.652 498 HE3 TRP 59 HE3 TRP 59 2.080 3.385 -1.309 499 HZ2 TRP 59 HZ2 TRP 59 3.526 5.268 -5.691 500 HZ3 TRP 59 HZ3 TRP 59 3.644 5.270 -1.431 501 HH2 TRP 59 HH2 TRP 59 4.347 6.198 -3.575 502 H GLY 60 H GLY 60 -3.195 1.073 -2.818 503 1HA GLY 60 1HA GLY 60 -3.491 2.879 -5.037 504 2HA GLY 60 2HA GLY 60 -4.678 1.718 -4.470 505 H THR 61 H THR 61 -5.537 2.350 -2.143 506 HA THR 61 HA THR 61 -7.045 4.691 -2.415 507 HB THR 61 HB THR 61 -7.078 2.615 -0.659 508 HG1 THR 61 HG1 THR 61 -8.543 4.721 -1.098 509 1HG2 THR 61 1HG2 THR 61 -6.000 4.919 0.904 510 2HG2 THR 61 2HG2 THR 61 -6.886 3.572 1.610 511 3HG2 THR 61 3HG2 THR 61 -5.350 3.283 0.794 512 H PHE 62 H PHE 62 -4.182 3.957 -0.571 513 HA PHE 62 HA PHE 62 -3.517 6.299 0.668 514 1HB PHE 62 1HB PHE 62 -2.167 4.280 0.855 515 2HB PHE 62 2HB PHE 62 -1.750 4.371 -0.854 516 HD1 PHE 62 HD1 PHE 62 -1.788 7.302 1.370 517 HD2 PHE 62 HD2 PHE 62 0.604 4.337 -0.540 518 HE1 PHE 62 HE1 PHE 62 0.239 8.580 1.929 519 HE2 PHE 62 HE2 PHE 62 2.631 5.614 0.024 520 HZ PHE 62 HZ PHE 62 2.450 7.729 1.250 521 H LYS 63 H LYS 63 -2.800 5.328 -2.623 522 HA LYS 63 HA LYS 63 -1.459 7.596 -3.508 523 1HB LYS 63 1HB LYS 63 -2.345 5.164 -4.555 524 2HB LYS 63 2HB LYS 63 -3.110 6.373 -5.553 525 1HG LYS 63 1HG LYS 63 -0.925 7.363 -6.032 526 2HG LYS 63 2HG LYS 63 -0.159 6.137 -5.020 527 1HD LYS 63 1HD LYS 63 -1.599 5.768 -7.635 528 2HD LYS 63 2HD LYS 63 0.074 5.373 -7.243 529 1HE LYS 63 1HE LYS 63 -0.738 3.624 -5.685 530 2HE LYS 63 2HE LYS 63 -2.391 4.008 -6.152 531 1HZ LYS 63 1HZ LYS 63 -2.147 2.511 -7.752 532 2HZ LYS 63 2HZ LYS 63 -1.083 3.579 -8.521 533 3HZ LYS 63 3HZ LYS 63 -0.479 2.377 -7.497 534 H THR 64 H THR 64 -4.914 6.920 -3.264 535 HA THR 64 HA THR 64 -5.994 8.898 -4.842 536 HB THR 64 HB THR 64 -6.964 8.218 -2.058 537 HG1 THR 64 HG1 THR 64 -7.009 6.768 -4.428 538 1HG2 THR 64 1HG2 THR 64 -9.130 8.802 -2.771 539 2HG2 THR 64 2HG2 THR 64 -8.071 10.134 -3.239 540 3HG2 THR 64 3HG2 THR 64 -8.611 8.969 -4.449 541 H GLU 65 H GLU 65 -4.516 9.116 -1.686 542 HA GLU 65 HA GLU 65 -4.989 11.959 -1.455 543 1HB GLU 65 1HB GLU 65 -3.170 10.312 0.289 544 2HB GLU 65 2HB GLU 65 -4.000 11.807 0.691 545 1HG GLU 65 1HG GLU 65 -5.571 9.358 0.029 546 2HG GLU 65 2HG GLU 65 -4.865 9.559 1.631 547 H VAL 66 H VAL 66 -2.461 9.734 -2.361 548 HA VAL 66 HA VAL 66 -0.263 11.420 -2.279 549 HB VAL 66 HB VAL 66 -0.799 9.121 -4.135 550 1HG1 VAL 66 1HG1 VAL 66 1.132 10.982 -4.562 551 2HG1 VAL 66 2HG1 VAL 66 1.982 9.836 -3.528 552 3HG1 VAL 66 3HG1 VAL 66 1.252 9.290 -5.037 553 1HG2 VAL 66 1HG2 VAL 66 -0.798 8.614 -1.715 554 2HG2 VAL 66 2HG2 VAL 66 0.531 7.837 -2.575 555 3HG2 VAL 66 3HG2 VAL 66 0.831 9.279 -1.604 556 H TYR 67 H TYR 67 -2.746 10.996 -4.717 557 HA TYR 67 HA TYR 67 -1.509 12.496 -6.765 558 1HB TYR 67 1HB TYR 67 -4.127 11.301 -6.266 559 2HB TYR 67 2HB TYR 67 -4.235 12.814 -7.161 560 HD1 TYR 67 HD1 TYR 67 -2.922 9.377 -7.210 561 HD2 TYR 67 HD2 TYR 67 -3.419 12.981 -9.416 562 HE1 TYR 67 HE1 TYR 67 -2.311 8.192 -9.276 563 HE2 TYR 67 HE2 TYR 67 -2.811 11.805 -11.488 564 HH TYR 67 HH TYR 67 -2.592 9.701 -12.415 565 H ASN 68 H ASN 68 -3.551 13.382 -4.040 566 HA ASN 68 HA ASN 68 -3.655 16.149 -4.927 567 1HB ASN 68 1HB ASN 68 -5.204 16.533 -3.132 568 2HB ASN 68 2HB ASN 68 -5.662 15.037 -3.937 569 1HD2 ASN 68 1HD2 ASN 68 -5.901 13.535 -0.841 570 2HD2 ASN 68 2HD2 ASN 68 -6.639 13.961 -2.343 571 H LEU 69 H LEU 69 -1.649 14.207 -2.957 572 HA LEU 69 HA LEU 69 -0.887 16.102 -1.011 573 1HB LEU 69 1HB LEU 69 0.714 14.606 -0.347 574 2HB LEU 69 2HB LEU 69 -0.346 13.533 -1.235 575 HG LEU 69 HG LEU 69 1.255 13.997 -3.238 576 1HD1 LEU 69 1HD1 LEU 69 2.493 15.809 -1.973 577 2HD1 LEU 69 2HD1 LEU 69 3.174 14.524 -0.979 578 3HD1 LEU 69 3HD1 LEU 69 3.494 14.562 -2.711 579 1HD2 LEU 69 1HD2 LEU 69 2.895 12.347 -1.683 580 2HD2 LEU 69 2HD2 LEU 69 1.256 12.099 -1.083 581 3HD2 LEU 69 3HD2 LEU 69 1.616 11.857 -2.791 582 H ARG 70 H ARG 70 0.261 15.450 -4.280 583 HA ARG 70 HA ARG 70 2.443 17.256 -4.141 584 1HB ARG 70 1HB ARG 70 1.058 15.879 -6.418 585 2HB ARG 70 2HB ARG 70 2.343 17.046 -6.704 586 1HG ARG 70 1HG ARG 70 3.265 15.222 -4.744 587 2HG ARG 70 2HG ARG 70 2.548 14.287 -6.057 588 1HD ARG 70 1HD ARG 70 4.481 16.523 -6.584 589 2HD ARG 70 2HD ARG 70 5.036 14.887 -6.227 590 HE ARG 70 HE ARG 70 3.170 14.656 -8.254 591 1HH1 ARG 70 1HH1 ARG 70 6.705 16.095 -9.462 592 2HH1 ARG 70 2HH1 ARG 70 6.258 16.213 -7.793 593 1HH2 ARG 70 1HH2 ARG 70 5.283 15.126 -10.969 594 2HH2 ARG 70 2HH2 ARG 70 3.754 14.504 -10.445 595 H MET 71 H MET 71 -0.674 17.941 -3.986 596 HA MET 71 HA MET 71 -0.476 20.417 -5.551 597 1HB MET 71 1HB MET 71 -2.834 18.818 -4.584 598 2HB MET 71 2HB MET 71 -3.007 20.486 -5.111 599 1HG MET 71 1HG MET 71 -1.559 19.279 -7.140 600 2HG MET 71 2HG MET 71 -2.751 18.068 -6.670 601 1HE MET 71 1HE MET 71 -2.854 20.290 -9.769 602 2HE MET 71 2HE MET 71 -2.758 18.613 -9.231 603 3HE MET 71 3HE MET 71 -4.294 19.270 -9.798 604 H ASN 72 H ASN 72 -0.934 19.107 -2.355 605 HA ASN 72 HA ASN 72 -1.357 21.789 -1.257 606 1HB ASN 72 1HB ASN 72 -1.779 19.020 -0.173 607 2HB ASN 72 2HB ASN 72 -1.681 20.403 0.913 608 1HD2 ASN 72 1HD2 ASN 72 -4.654 21.912 -0.570 609 2HD2 ASN 72 2HD2 ASN 72 -3.011 22.350 -0.258 610 H LEU 73 H LEU 73 1.094 19.445 -1.676 611 HA LEU 73 HA LEU 73 2.718 20.630 0.466 612 1HB LEU 73 1HB LEU 73 2.360 17.983 -0.395 613 2HB LEU 73 2HB LEU 73 3.979 18.426 -0.902 614 HG LEU 73 HG LEU 73 3.624 19.300 1.793 615 1HD1 LEU 73 1HD1 LEU 73 2.119 17.802 2.526 616 2HD1 LEU 73 2HD1 LEU 73 2.370 16.720 1.155 617 3HD1 LEU 73 3HD1 LEU 73 3.498 16.701 2.512 618 1HD2 LEU 73 1HD2 LEU 73 5.568 18.119 0.197 619 2HD2 LEU 73 2HD2 LEU 73 5.726 18.575 1.892 620 3HD2 LEU 73 3HD2 LEU 73 5.251 16.932 1.462 621 H GLY 74 H GLY 74 3.090 19.529 -2.912 622 1HA GLY 74 1HA GLY 74 5.550 20.718 -3.421 623 2HA GLY 74 2HA GLY 74 4.336 20.374 -4.644 624 H GLY 75 H GLY 75 2.711 22.007 -5.070 625 1HA GLY 75 1HA GLY 75 2.013 24.341 -4.403 626 2HA GLY 75 2HA GLY 75 3.729 24.716 -4.469 627 H THR 76 H THR 76 1.405 23.028 -6.580 628 HA THR 76 HA THR 76 2.667 23.832 -8.970 629 HB THR 76 HB THR 76 1.225 21.880 -8.911 630 HG1 THR 76 HG1 THR 76 1.018 23.816 -10.726 631 1HG2 THR 76 1HG2 THR 76 -1.026 21.843 -8.463 632 2HG2 THR 76 2HG2 THR 76 -0.438 23.012 -7.280 633 3HG2 THR 76 3HG2 THR 76 -1.223 23.570 -8.757 634 H GLY 77 H GLY 77 2.730 25.766 -9.874 635 1HA GLY 77 1HA GLY 77 0.696 27.750 -9.126 636 2HA GLY 77 2HA GLY 77 2.278 28.108 -9.804 637 H PHE 78 H PHE 78 -0.258 25.868 -10.886 638 HA PHE 78 HA PHE 78 -0.039 26.958 -13.576 639 1HB PHE 78 1HB PHE 78 -0.181 24.441 -12.891 640 2HB PHE 78 2HB PHE 78 -1.913 24.748 -12.796 641 HD1 PHE 78 HD1 PHE 78 -3.085 24.081 -14.630 642 HD2 PHE 78 HD2 PHE 78 0.859 25.588 -15.162 643 HE1 PHE 78 HE1 PHE 78 -3.283 23.727 -17.057 644 HE2 PHE 78 HE2 PHE 78 0.668 25.237 -17.591 645 HZ PHE 78 HZ PHE 78 -1.405 24.304 -18.540 646 H GLN 79 H GLN 79 -1.271 28.583 -11.491 647 HA GLN 79 HA GLN 79 -4.102 28.575 -12.144 648 1HB GLN 79 1HB GLN 79 -2.390 29.872 -10.088 649 2HB GLN 79 2HB GLN 79 -3.864 30.710 -10.553 650 1HG GLN 79 1HG GLN 79 -4.991 28.407 -10.129 651 2HG GLN 79 2HG GLN 79 -3.531 28.074 -9.199 652 1HE2 GLN 79 1HE2 GLN 79 -4.230 30.561 -6.731 653 2HE2 GLN 79 2HE2 GLN 79 -2.932 29.883 -7.648 Start of MODEL 40 1 1H MET 1 1H MET 1 -16.980 8.528 -0.228 2 2H MET 1 2H MET 1 -16.890 9.303 1.302 3 3H MET 1 3H MET 1 -16.257 10.077 -0.094 4 HA MET 1 HA MET 1 -14.671 8.272 -0.329 5 1HB MET 1 1HB MET 1 -14.816 10.320 1.758 6 2HB MET 1 2HB MET 1 -13.677 9.035 2.136 7 1HG MET 1 1HG MET 1 -12.192 10.047 0.858 8 2HG MET 1 2HG MET 1 -13.205 9.688 -0.539 9 1HE MET 1 1HE MET 1 -13.780 12.086 -2.176 10 2HE MET 1 2HE MET 1 -14.921 10.970 -1.424 11 3HE MET 1 3HE MET 1 -15.169 12.712 -1.285 12 H ASP 2 H ASP 2 -16.032 6.282 -0.100 13 HA ASP 2 HA ASP 2 -16.101 5.140 2.580 14 1HB ASP 2 1HB ASP 2 -18.034 4.895 1.002 15 2HB ASP 2 2HB ASP 2 -17.009 3.892 -0.020 16 H ARG 3 H ARG 3 -13.611 5.596 0.812 17 HA ARG 3 HA ARG 3 -12.459 2.949 1.312 18 1HB ARG 3 1HB ARG 3 -11.916 4.562 -1.187 19 2HB ARG 3 2HB ARG 3 -11.266 2.976 -0.795 20 1HG ARG 3 1HG ARG 3 -13.773 2.271 -0.722 21 2HG ARG 3 2HG ARG 3 -14.012 3.732 -1.682 22 1HD ARG 3 1HD ARG 3 -12.178 2.843 -3.203 23 2HD ARG 3 2HD ARG 3 -12.348 1.316 -2.341 24 HE ARG 3 HE ARG 3 -14.483 1.043 -3.275 25 1HH1 ARG 3 1HH1 ARG 3 -14.036 4.193 -5.710 26 2HH1 ARG 3 2HH1 ARG 3 -12.962 3.998 -4.367 27 1HH2 ARG 3 1HH2 ARG 3 -15.695 2.674 -6.093 28 2HH2 ARG 3 2HH2 ARG 3 -15.889 1.310 -5.042 29 H VAL 4 H VAL 4 -11.748 4.167 3.237 30 HA VAL 4 HA VAL 4 -9.243 5.579 2.643 31 HB VAL 4 HB VAL 4 -9.675 7.101 4.580 32 1HG1 VAL 4 1HG1 VAL 4 -11.122 8.622 3.346 33 2HG1 VAL 4 2HG1 VAL 4 -9.973 7.837 2.263 34 3HG1 VAL 4 3HG1 VAL 4 -11.650 7.297 2.310 35 1HG2 VAL 4 1HG2 VAL 4 -11.716 7.251 5.643 36 2HG2 VAL 4 2HG2 VAL 4 -12.579 6.450 4.329 37 3HG2 VAL 4 3HG2 VAL 4 -11.558 5.509 5.415 38 H LEU 5 H LEU 5 -7.576 4.765 3.672 39 HA LEU 5 HA LEU 5 -8.008 2.784 5.748 40 1HB LEU 5 1HB LEU 5 -5.426 2.588 5.478 41 2HB LEU 5 2HB LEU 5 -6.507 1.902 4.297 42 HG LEU 5 HG LEU 5 -6.123 3.787 2.821 43 1HD1 LEU 5 1HD1 LEU 5 -4.943 4.919 5.187 44 2HD1 LEU 5 2HD1 LEU 5 -3.892 5.044 3.779 45 3HD1 LEU 5 3HD1 LEU 5 -5.527 5.701 3.720 46 1HD2 LEU 5 1HD2 LEU 5 -4.200 2.947 1.985 47 2HD2 LEU 5 2HD2 LEU 5 -3.380 2.979 3.547 48 3HD2 LEU 5 3HD2 LEU 5 -4.534 1.695 3.181 49 H SER 6 H SER 6 -7.182 2.816 7.783 50 HA SER 6 HA SER 6 -6.731 5.475 8.875 51 1HB SER 6 1HB SER 6 -7.040 4.372 11.064 52 2HB SER 6 2HB SER 6 -8.376 4.030 9.967 53 HG SER 6 HG SER 6 -6.159 2.308 10.383 54 H ARG 7 H ARG 7 -5.254 5.028 11.101 55 HA ARG 7 HA ARG 7 -2.613 5.112 10.157 56 1HB ARG 7 1HB ARG 7 -3.544 4.566 12.981 57 2HB ARG 7 2HB ARG 7 -1.953 5.137 12.503 58 1HG ARG 7 1HG ARG 7 -2.802 7.245 11.847 59 2HG ARG 7 2HG ARG 7 -4.470 6.678 11.945 60 1HD ARG 7 1HD ARG 7 -4.372 7.735 13.948 61 2HD ARG 7 2HD ARG 7 -3.719 6.178 14.454 62 HE ARG 7 HE ARG 7 -1.597 7.786 13.598 63 1HH1 ARG 7 1HH1 ARG 7 -2.915 8.461 17.322 64 2HH1 ARG 7 2HH1 ARG 7 -3.939 7.653 16.183 65 1HH2 ARG 7 1HH2 ARG 7 -0.818 9.139 16.703 66 2HH2 ARG 7 2HH2 ARG 7 -0.248 8.848 15.095 67 H ALA 8 H ALA 8 -4.546 2.512 11.514 68 HA ALA 8 HA ALA 8 -2.433 0.666 11.881 69 1HB ALA 8 1HB ALA 8 -5.169 -0.324 11.292 70 2HB ALA 8 2HB ALA 8 -4.032 -0.813 12.549 71 3HB ALA 8 3HB ALA 8 -4.945 0.687 12.719 72 H ASP 9 H ASP 9 -4.689 1.232 9.202 73 HA ASP 9 HA ASP 9 -3.718 -0.943 7.629 74 1HB ASP 9 1HB ASP 9 -5.178 1.498 6.629 75 2HB ASP 9 2HB ASP 9 -5.134 -0.096 5.894 76 H LYS 10 H LYS 10 -3.309 2.601 7.344 77 HA LYS 10 HA LYS 10 -1.522 2.581 5.213 78 1HB LYS 10 1HB LYS 10 -0.810 4.805 5.974 79 2HB LYS 10 2HB LYS 10 -2.559 4.634 6.027 80 1HG LYS 10 1HG LYS 10 -2.499 5.344 8.120 81 2HG LYS 10 2HG LYS 10 -1.671 3.848 8.550 82 1HD LYS 10 1HD LYS 10 0.337 4.861 8.743 83 2HD LYS 10 2HD LYS 10 0.034 5.944 7.382 84 1HE LYS 10 1HE LYS 10 -0.274 7.569 8.873 85 2HE LYS 10 2HE LYS 10 -1.769 6.757 9.336 86 1HZ LYS 10 1HZ LYS 10 0.904 6.380 10.571 87 2HZ LYS 10 2HZ LYS 10 -0.437 7.135 11.272 88 3HZ LYS 10 3HZ LYS 10 -0.469 5.472 10.965 89 H GLU 11 H GLU 11 -1.000 2.000 8.618 90 HA GLU 11 HA GLU 11 1.828 2.159 8.602 91 1HB GLU 11 1HB GLU 11 -0.237 1.033 10.432 92 2HB GLU 11 2HB GLU 11 1.419 0.476 10.631 93 1HG GLU 11 1HG GLU 11 1.147 3.380 10.404 94 2HG GLU 11 2HG GLU 11 0.350 2.678 11.810 95 H ARG 12 H ARG 12 -0.475 -0.419 7.967 96 HA ARG 12 HA ARG 12 1.361 -2.557 7.864 97 1HB ARG 12 1HB ARG 12 -0.953 -3.090 8.037 98 2HB ARG 12 2HB ARG 12 -1.355 -2.126 6.626 99 1HG ARG 12 1HG ARG 12 -1.443 -4.565 6.234 100 2HG ARG 12 2HG ARG 12 -0.328 -3.715 5.165 101 1HD ARG 12 1HD ARG 12 0.927 -5.543 5.794 102 2HD ARG 12 2HD ARG 12 1.444 -4.338 6.968 103 HE ARG 12 HE ARG 12 -0.497 -6.491 7.517 104 1HH1 ARG 12 1HH1 ARG 12 2.005 -4.897 10.212 105 2HH1 ARG 12 2HH1 ARG 12 1.985 -4.271 8.601 106 1HH2 ARG 12 1HH2 ARG 12 0.626 -6.614 10.800 107 2HH2 ARG 12 2HH2 ARG 12 -0.457 -7.304 9.637 108 H LEU 13 H LEU 13 0.262 -0.214 5.492 109 HA LEU 13 HA LEU 13 1.434 -1.358 3.197 110 1HB LEU 13 1HB LEU 13 -0.224 0.362 2.993 111 2HB LEU 13 2HB LEU 13 0.729 1.476 3.942 112 HG LEU 13 HG LEU 13 2.446 1.089 1.925 113 1HD1 LEU 13 1HD1 LEU 13 0.035 1.226 0.266 114 2HD1 LEU 13 2HD1 LEU 13 1.568 0.403 -0.021 115 3HD1 LEU 13 3HD1 LEU 13 0.338 -0.353 0.991 116 1HD2 LEU 13 1HD2 LEU 13 0.782 3.046 0.905 117 2HD2 LEU 13 2HD2 LEU 13 0.420 3.040 2.631 118 3HD2 LEU 13 3HD2 LEU 13 2.077 3.280 2.080 119 H LEU 14 H LEU 14 2.614 0.699 5.748 120 HA LEU 14 HA LEU 14 5.068 1.446 4.554 121 1HB LEU 14 1HB LEU 14 3.827 1.569 7.234 122 2HB LEU 14 2HB LEU 14 5.579 1.664 7.187 123 HG LEU 14 HG LEU 14 3.667 3.506 5.750 124 1HD1 LEU 14 1HD1 LEU 14 5.138 3.659 8.330 125 2HD1 LEU 14 2HD1 LEU 14 4.953 5.128 7.373 126 3HD1 LEU 14 3HD1 LEU 14 3.527 4.240 7.910 127 1HD2 LEU 14 1HD2 LEU 14 6.445 2.918 5.325 128 2HD2 LEU 14 2HD2 LEU 14 5.379 3.998 4.430 129 3HD2 LEU 14 3HD2 LEU 14 6.245 4.590 5.849 130 H GLU 15 H GLU 15 4.096 -1.223 6.648 131 HA GLU 15 HA GLU 15 6.623 -2.229 7.272 132 1HB GLU 15 1HB GLU 15 3.907 -3.486 7.044 133 2HB GLU 15 2HB GLU 15 5.319 -4.476 7.385 134 1HG GLU 15 1HG GLU 15 5.144 -2.122 9.084 135 2HG GLU 15 2HG GLU 15 3.753 -3.196 9.238 136 H LEU 16 H LEU 16 4.499 -2.935 4.522 137 HA LEU 16 HA LEU 16 6.340 -4.798 3.345 138 1HB LEU 16 1HB LEU 16 3.789 -3.503 2.434 139 2HB LEU 16 2HB LEU 16 4.763 -4.454 1.328 140 HG LEU 16 HG LEU 16 4.246 -5.869 3.821 141 1HD1 LEU 16 1HD1 LEU 16 2.171 -4.746 3.927 142 2HD1 LEU 16 2HD1 LEU 16 1.922 -4.886 2.185 143 3HD1 LEU 16 3HD1 LEU 16 1.839 -6.322 3.206 144 1HD2 LEU 16 1HD2 LEU 16 4.429 -7.606 2.440 145 2HD2 LEU 16 2HD2 LEU 16 3.146 -6.999 1.394 146 3HD2 LEU 16 3HD2 LEU 16 4.805 -6.449 1.161 147 H LEU 17 H LEU 17 6.157 -1.421 3.457 148 HA LEU 17 HA LEU 17 7.456 -0.994 0.891 149 1HB LEU 17 1HB LEU 17 6.194 0.708 2.960 150 2HB LEU 17 2HB LEU 17 7.495 1.434 2.037 151 HG LEU 17 HG LEU 17 5.034 1.735 1.260 152 1HD1 LEU 17 1HD1 LEU 17 6.396 0.971 -1.144 153 2HD1 LEU 17 2HD1 LEU 17 6.033 2.581 -0.524 154 3HD1 LEU 17 3HD1 LEU 17 7.517 1.762 -0.038 155 1HD2 LEU 17 1HD2 LEU 17 5.017 -0.978 1.235 156 2HD2 LEU 17 2HD2 LEU 17 3.937 0.040 0.286 157 3HD2 LEU 17 3HD2 LEU 17 5.395 -0.621 -0.450 158 H LYS 18 H LYS 18 8.403 -1.649 4.080 159 HA LYS 18 HA LYS 18 10.401 -1.556 5.173 160 1HB LYS 18 1HB LYS 18 11.012 -2.052 2.375 161 2HB LYS 18 2HB LYS 18 12.316 -1.206 3.191 162 1HG LYS 18 1HG LYS 18 12.988 -3.266 3.758 163 2HG LYS 18 2HG LYS 18 11.746 -3.137 5.005 164 1HD LYS 18 1HD LYS 18 10.366 -3.985 2.751 165 2HD LYS 18 2HD LYS 18 11.883 -4.884 2.692 166 1HE LYS 18 1HE LYS 18 11.471 -5.469 5.121 167 2HE LYS 18 2HE LYS 18 9.845 -4.824 4.904 168 1HZ LYS 18 1HZ LYS 18 11.070 -7.169 3.583 169 2HZ LYS 18 2HZ LYS 18 9.667 -7.112 4.528 170 3HZ LYS 18 3HZ LYS 18 9.670 -6.433 2.980 171 H LEU 19 H LEU 19 8.981 0.933 4.190 172 HA LEU 19 HA LEU 19 11.181 2.854 4.340 173 1HB LEU 19 1HB LEU 19 9.817 3.140 2.387 174 2HB LEU 19 2HB LEU 19 8.345 3.080 3.341 175 HG LEU 19 HG LEU 19 10.120 5.214 4.179 176 1HD1 LEU 19 1HD1 LEU 19 8.914 5.523 1.453 177 2HD1 LEU 19 2HD1 LEU 19 10.017 6.610 2.287 178 3HD1 LEU 19 3HD1 LEU 19 10.596 5.053 1.694 179 1HD2 LEU 19 1HD2 LEU 19 7.339 4.631 3.991 180 2HD2 LEU 19 2HD2 LEU 19 8.151 5.899 4.906 181 3HD2 LEU 19 3HD2 LEU 19 7.664 6.190 3.237 182 HA PRO 20 HA PRO 20 9.991 3.306 8.663 183 1HB PRO 20 1HB PRO 20 11.585 5.792 8.355 184 2HB PRO 20 2HB PRO 20 11.720 4.510 9.552 185 1HG PRO 20 1HG PRO 20 13.476 4.758 7.540 186 2HG PRO 20 2HG PRO 20 13.006 3.180 8.196 187 1HD PRO 20 1HD PRO 20 12.239 4.474 5.638 188 2HD PRO 20 2HD PRO 20 12.410 2.754 6.031 189 H ARG 21 H ARG 21 9.294 5.352 9.998 190 HA ARG 21 HA ARG 21 7.035 6.470 8.586 191 1HB ARG 21 1HB ARG 21 7.901 6.644 11.469 192 2HB ARG 21 2HB ARG 21 6.448 7.407 10.841 193 1HG ARG 21 1HG ARG 21 5.324 5.449 10.672 194 2HG ARG 21 2HG ARG 21 6.777 4.516 10.308 195 1HD ARG 21 1HD ARG 21 7.428 5.019 12.754 196 2HD ARG 21 2HD ARG 21 5.725 5.417 12.965 197 HE ARG 21 HE ARG 21 5.289 3.095 12.115 198 1HH1 ARG 21 1HH1 ARG 21 8.557 2.265 14.279 199 2HH1 ARG 21 2HH1 ARG 21 8.286 3.886 13.742 200 1HH2 ARG 21 1HH2 ARG 21 7.068 0.614 13.764 201 2HH2 ARG 21 2HH2 ARG 21 5.655 0.973 12.829 202 H GLN 22 H GLN 22 10.145 7.509 9.634 203 HA GLN 22 HA GLN 22 9.697 10.281 9.772 204 1HB GLN 22 1HB GLN 22 11.772 8.646 10.316 205 2HB GLN 22 2HB GLN 22 12.326 9.355 8.807 206 1HG GLN 22 1HG GLN 22 11.811 11.611 9.856 207 2HG GLN 22 2HG GLN 22 11.668 10.743 11.383 208 1HE2 GLN 22 1HE2 GLN 22 15.330 10.996 9.559 209 2HE2 GLN 22 2HE2 GLN 22 13.879 11.017 8.620 210 H LEU 23 H LEU 23 9.501 8.266 7.099 211 HA LEU 23 HA LEU 23 9.804 10.557 5.289 212 1HB LEU 23 1HB LEU 23 10.662 8.903 3.572 213 2HB LEU 23 2HB LEU 23 11.766 9.317 4.870 214 HG LEU 23 HG LEU 23 10.068 6.832 4.903 215 1HD1 LEU 23 1HD1 LEU 23 11.794 5.577 3.976 216 2HD1 LEU 23 2HD1 LEU 23 11.750 7.023 2.961 217 3HD1 LEU 23 3HD1 LEU 23 12.980 6.861 4.212 218 1HD2 LEU 23 1HD2 LEU 23 12.326 6.378 6.365 219 2HD2 LEU 23 2HD2 LEU 23 11.991 8.076 6.703 220 3HD2 LEU 23 3HD2 LEU 23 10.758 6.856 7.015 221 H TRP 24 H TRP 24 7.568 8.917 6.628 222 HA TRP 24 HA TRP 24 6.127 7.428 4.800 223 1HB TRP 24 1HB TRP 24 5.423 7.446 7.063 224 2HB TRP 24 2HB TRP 24 5.267 9.196 7.084 225 HD1 TRP 24 HD1 TRP 24 2.841 9.934 7.130 226 HE1 TRP 24 HE1 TRP 24 0.602 9.032 6.239 227 HE3 TRP 24 HE3 TRP 24 4.532 5.726 4.763 228 HZ2 TRP 24 HZ2 TRP 24 -0.327 6.832 4.740 229 HZ3 TRP 24 HZ3 TRP 24 2.897 4.272 3.626 230 HH2 TRP 24 HH2 TRP 24 0.520 4.822 3.615 231 H GLY 25 H GLY 25 6.678 10.840 4.864 232 1HA GLY 25 1HA GLY 25 4.488 11.360 2.998 233 2HA GLY 25 2HA GLY 25 5.512 12.570 3.756 234 H ASP 26 H ASP 26 7.908 10.856 3.016 235 HA ASP 26 HA ASP 26 8.656 12.220 0.694 236 1HB ASP 26 1HB ASP 26 10.157 11.068 2.412 237 2HB ASP 26 2HB ASP 26 9.825 9.568 1.551 238 H PHE 27 H PHE 27 7.185 12.021 -0.956 239 HA PHE 27 HA PHE 27 5.978 9.673 -1.846 240 1HB PHE 27 1HB PHE 27 5.224 11.918 -2.508 241 2HB PHE 27 2HB PHE 27 6.685 12.125 -3.466 242 HD1 PHE 27 HD1 PHE 27 4.512 9.132 -3.170 243 HD2 PHE 27 HD2 PHE 27 5.899 12.301 -5.651 244 HE1 PHE 27 HE1 PHE 27 3.388 8.104 -5.102 245 HE2 PHE 27 HE2 PHE 27 4.776 11.280 -7.588 246 HZ PHE 27 HZ PHE 27 3.519 9.180 -7.316 247 H GLY 28 H GLY 28 9.082 11.102 -2.686 248 1HA GLY 28 1HA GLY 28 9.627 9.411 -4.895 249 2HA GLY 28 2HA GLY 28 10.806 10.357 -4.003 250 H ARG 29 H ARG 29 10.305 9.086 -1.441 251 HA ARG 29 HA ARG 29 11.955 6.755 -1.876 252 1HB ARG 29 1HB ARG 29 11.356 8.544 0.332 253 2HB ARG 29 2HB ARG 29 11.363 6.861 0.835 254 1HG ARG 29 1HG ARG 29 13.609 7.809 -0.850 255 2HG ARG 29 2HG ARG 29 13.554 8.324 0.837 256 1HD ARG 29 1HD ARG 29 13.110 5.785 1.277 257 2HD ARG 29 2HD ARG 29 13.855 5.584 -0.306 258 HE ARG 29 HE ARG 29 15.773 6.894 0.695 259 1HH1 ARG 29 1HH1 ARG 29 14.893 4.579 3.844 260 2HH1 ARG 29 2HH1 ARG 29 13.683 4.871 2.643 261 1HH2 ARG 29 1HH2 ARG 29 16.971 5.498 3.638 262 2HH2 ARG 29 2HH2 ARG 29 17.353 6.498 2.276 263 H MET 30 H MET 30 8.613 7.395 -1.067 264 HA MET 30 HA MET 30 8.068 4.766 -0.084 265 1HB MET 30 1HB MET 30 5.727 5.396 -0.168 266 2HB MET 30 2HB MET 30 6.675 6.706 0.523 267 1HG MET 30 1HG MET 30 6.592 7.910 -1.572 268 2HG MET 30 2HG MET 30 5.721 6.578 -2.327 269 1HE MET 30 1HE MET 30 5.746 8.465 0.930 270 2HE MET 30 2HE MET 30 4.113 9.099 1.135 271 3HE MET 30 3HE MET 30 4.446 7.400 1.469 272 H GLN 31 H GLN 31 7.591 6.382 -3.213 273 HA GLN 31 HA GLN 31 6.388 4.131 -4.460 274 1HB GLN 31 1HB GLN 31 6.425 6.641 -5.197 275 2HB GLN 31 2HB GLN 31 7.926 6.197 -6.000 276 1HG GLN 31 1HG GLN 31 6.738 4.463 -7.251 277 2HG GLN 31 2HG GLN 31 5.236 4.926 -6.457 278 1HE2 GLN 31 1HE2 GLN 31 6.886 7.655 -9.030 279 2HE2 GLN 31 2HE2 GLN 31 7.889 6.748 -7.956 280 H GLN 32 H GLN 32 9.700 5.265 -4.111 281 HA GLN 32 HA GLN 32 10.922 3.520 -5.945 282 1HB GLN 32 1HB GLN 32 11.792 5.509 -4.253 283 2HB GLN 32 2HB GLN 32 12.488 4.071 -3.524 284 1HG GLN 32 1HG GLN 32 14.008 3.856 -5.135 285 2HG GLN 32 2HG GLN 32 12.830 4.160 -6.411 286 1HE2 GLN 32 1HE2 GLN 32 15.520 6.865 -5.909 287 2HE2 GLN 32 2HE2 GLN 32 15.639 5.152 -5.725 288 H ALA 33 H ALA 33 9.996 3.152 -2.573 289 HA ALA 33 HA ALA 33 11.207 0.567 -2.276 290 1HB ALA 33 1HB ALA 33 9.726 2.442 -0.592 291 2HB ALA 33 2HB ALA 33 9.379 0.749 -0.250 292 3HB ALA 33 3HB ALA 33 11.040 1.339 -0.181 293 H TYR 34 H TYR 34 7.929 1.788 -2.849 294 HA TYR 34 HA TYR 34 6.467 -0.528 -2.602 295 1HB TYR 34 1HB TYR 34 5.409 1.626 -3.036 296 2HB TYR 34 2HB TYR 34 6.106 1.668 -4.653 297 HD1 TYR 34 HD1 TYR 34 5.462 -0.305 -6.225 298 HD2 TYR 34 HD2 TYR 34 3.250 0.773 -2.740 299 HE1 TYR 34 HE1 TYR 34 3.503 -1.488 -7.113 300 HE2 TYR 34 HE2 TYR 34 1.294 -0.428 -3.628 301 HH TYR 34 HH TYR 34 0.601 -1.063 -6.361 302 H LYS 35 H LYS 35 8.257 0.607 -5.446 303 HA LYS 35 HA LYS 35 7.594 -1.702 -7.008 304 1HB LYS 35 1HB LYS 35 9.648 0.473 -7.428 305 2HB LYS 35 2HB LYS 35 9.277 -0.782 -8.603 306 1HG LYS 35 1HG LYS 35 6.880 0.051 -8.507 307 2HG LYS 35 2HG LYS 35 7.519 1.453 -7.647 308 1HD LYS 35 1HD LYS 35 9.205 1.450 -9.705 309 2HD LYS 35 2HD LYS 35 7.842 0.647 -10.487 310 1HE LYS 35 1HE LYS 35 6.453 2.595 -9.472 311 2HE LYS 35 2HE LYS 35 8.015 3.404 -9.338 312 1HZ LYS 35 1HZ LYS 35 6.564 3.666 -11.469 313 2HZ LYS 35 2HZ LYS 35 8.246 3.533 -11.595 314 3HZ LYS 35 3HZ LYS 35 7.266 2.189 -11.902 315 H GLN 36 H GLN 36 10.312 -0.695 -5.013 316 HA GLN 36 HA GLN 36 12.100 -2.738 -5.807 317 1HB GLN 36 1HB GLN 36 12.316 -0.524 -4.242 318 2HB GLN 36 2HB GLN 36 12.301 -1.785 -3.021 319 1HG GLN 36 1HG GLN 36 14.474 -2.005 -3.377 320 2HG GLN 36 2HG GLN 36 14.063 -2.729 -4.932 321 1HE2 GLN 36 1HE2 GLN 36 16.387 -0.185 -5.894 322 2HE2 GLN 36 2HE2 GLN 36 16.319 -1.783 -5.240 323 H GLN 37 H GLN 37 9.552 -2.563 -3.401 324 HA GLN 37 HA GLN 37 10.226 -5.165 -2.306 325 1HB GLN 37 1HB GLN 37 8.028 -3.191 -1.707 326 2HB GLN 37 2HB GLN 37 8.161 -4.754 -0.912 327 1HG GLN 37 1HG GLN 37 10.306 -2.644 -0.875 328 2HG GLN 37 2HG GLN 37 9.103 -2.865 0.392 329 1HE2 GLN 37 1HE2 GLN 37 10.496 -6.173 1.192 330 2HE2 GLN 37 2HE2 GLN 37 8.974 -5.539 0.678 331 H SER 38 H SER 38 8.215 -3.860 -4.760 332 HA SER 38 HA SER 38 6.285 -5.978 -4.785 333 1HB SER 38 1HB SER 38 5.473 -4.975 -6.835 334 2HB SER 38 2HB SER 38 5.827 -3.689 -5.680 335 HG SER 38 HG SER 38 7.505 -4.542 -7.804 336 H LEU 39 H LEU 39 9.353 -5.335 -6.330 337 HA LEU 39 HA LEU 39 9.200 -7.303 -8.347 338 1HB LEU 39 1HB LEU 39 11.295 -5.619 -7.146 339 2HB LEU 39 2HB LEU 39 11.869 -7.122 -7.843 340 HG LEU 39 HG LEU 39 10.234 -5.060 -9.323 341 1HD1 LEU 39 1HD1 LEU 39 12.299 -4.034 -8.979 342 2HD1 LEU 39 2HD1 LEU 39 13.187 -5.548 -9.149 343 3HD1 LEU 39 3HD1 LEU 39 12.457 -4.791 -10.564 344 1HD2 LEU 39 1HD2 LEU 39 11.732 -6.849 -10.975 345 2HD2 LEU 39 2HD2 LEU 39 10.726 -7.782 -9.867 346 3HD2 LEU 39 3HD2 LEU 39 9.992 -6.577 -10.925 347 H LEU 40 H LEU 40 10.205 -7.418 -4.977 348 HA LEU 40 HA LEU 40 11.119 -10.161 -5.222 349 1HB LEU 40 1HB LEU 40 11.737 -10.012 -2.917 350 2HB LEU 40 2HB LEU 40 12.259 -8.547 -3.726 351 HG LEU 40 HG LEU 40 9.821 -7.782 -2.786 352 1HD1 LEU 40 1HD1 LEU 40 10.339 -10.175 -1.436 353 2HD1 LEU 40 2HD1 LEU 40 10.697 -8.889 -0.283 354 3HD1 LEU 40 3HD1 LEU 40 9.113 -8.968 -1.053 355 1HD2 LEU 40 1HD2 LEU 40 12.535 -7.608 -1.495 356 2HD2 LEU 40 2HD2 LEU 40 11.775 -6.439 -2.575 357 3HD2 LEU 40 3HD2 LEU 40 11.132 -6.688 -0.951 358 H LEU 41 H LEU 41 8.184 -8.551 -4.643 359 HA LEU 41 HA LEU 41 7.019 -10.805 -3.193 360 1HB LEU 41 1HB LEU 41 6.169 -8.001 -3.763 361 2HB LEU 41 2HB LEU 41 4.936 -9.202 -3.429 362 HG LEU 41 HG LEU 41 7.207 -8.990 -1.519 363 1HD1 LEU 41 1HD1 LEU 41 5.904 -6.681 -2.260 364 2HD1 LEU 41 2HD1 LEU 41 5.007 -7.216 -0.840 365 3HD1 LEU 41 3HD1 LEU 41 6.749 -6.956 -0.735 366 1HD2 LEU 41 1HD2 LEU 41 4.343 -9.800 -1.504 367 2HD2 LEU 41 2HD2 LEU 41 5.755 -10.634 -0.855 368 3HD2 LEU 41 3HD2 LEU 41 5.080 -9.246 -0.001 369 H HIS 42 H HIS 42 7.769 -10.325 -6.248 370 HA HIS 42 HA HIS 42 5.343 -10.742 -7.657 371 1HB HIS 42 1HB HIS 42 7.641 -9.843 -8.479 372 2HB HIS 42 2HB HIS 42 8.052 -11.541 -8.686 373 HD1 HIS 42 HD1 HIS 42 7.505 -12.475 -10.900 374 HD2 HIS 42 HD2 HIS 42 5.177 -9.150 -10.022 375 HE1 HIS 42 HE1 HIS 42 6.128 -12.060 -12.961 376 HE2 HIS 42 HE2 HIS 42 4.714 -10.048 -12.404 377 HA PRO 43 HA PRO 43 4.685 -15.046 -6.892 378 1HB PRO 43 1HB PRO 43 3.388 -15.713 -9.217 379 2HB PRO 43 2HB PRO 43 2.626 -14.895 -7.850 380 1HG PRO 43 1HG PRO 43 3.692 -13.748 -10.394 381 2HG PRO 43 2HG PRO 43 2.215 -13.329 -9.505 382 1HD PRO 43 1HD PRO 43 4.440 -11.820 -9.379 383 2HD PRO 43 2HD PRO 43 3.354 -12.004 -7.990 384 H ASP 44 H ASP 44 6.459 -13.976 -9.684 385 HA ASP 44 HA ASP 44 7.251 -16.676 -10.401 386 1HB ASP 44 1HB ASP 44 7.372 -14.048 -11.667 387 2HB ASP 44 2HB ASP 44 8.855 -14.972 -11.873 388 H LYS 45 H LYS 45 8.375 -14.118 -8.408 389 HA LYS 45 HA LYS 45 11.084 -15.234 -8.309 390 1HB LYS 45 1HB LYS 45 10.152 -12.810 -6.791 391 2HB LYS 45 2HB LYS 45 11.784 -13.234 -7.286 392 1HG LYS 45 1HG LYS 45 9.650 -12.625 -9.299 393 2HG LYS 45 2HG LYS 45 10.599 -11.350 -8.536 394 1HD LYS 45 1HD LYS 45 12.662 -12.541 -9.302 395 2HD LYS 45 2HD LYS 45 11.617 -13.637 -10.212 396 1HE LYS 45 1HE LYS 45 10.645 -11.485 -11.249 397 2HE LYS 45 2HE LYS 45 12.102 -10.709 -10.630 398 1HZ LYS 45 1HZ LYS 45 11.853 -12.792 -12.698 399 2HZ LYS 45 2HZ LYS 45 12.698 -11.329 -12.756 400 3HZ LYS 45 3HZ LYS 45 13.301 -12.616 -11.840 401 H GLY 46 H GLY 46 8.766 -16.632 -7.201 402 1HA GLY 46 1HA GLY 46 8.278 -17.883 -5.342 403 2HA GLY 46 2HA GLY 46 9.882 -17.470 -4.753 404 H GLY 47 H GLY 47 6.572 -16.215 -5.027 405 1HA GLY 47 1HA GLY 47 6.745 -15.206 -2.309 406 2HA GLY 47 2HA GLY 47 6.557 -13.976 -3.549 407 H SER 48 H SER 48 4.637 -13.990 -1.753 408 HA SER 48 HA SER 48 2.450 -15.695 -2.635 409 1HB SER 48 1HB SER 48 3.064 -14.106 -0.249 410 2HB SER 48 2HB SER 48 1.383 -13.970 -0.770 411 HG SER 48 HG SER 48 1.449 -16.353 -0.850 412 H HIS 49 H HIS 49 1.159 -15.100 -4.231 413 HA HIS 49 HA HIS 49 1.248 -12.620 -5.511 414 1HB HIS 49 1HB HIS 49 -0.817 -13.365 -6.674 415 2HB HIS 49 2HB HIS 49 0.449 -14.587 -6.669 416 HD1 HIS 49 HD1 HIS 49 0.104 -16.581 -4.902 417 HD2 HIS 49 HD2 HIS 49 -3.203 -14.174 -5.623 418 HE1 HIS 49 HE1 HIS 49 -1.869 -17.875 -4.037 419 HE2 HIS 49 HE2 HIS 49 -3.871 -16.456 -4.605 420 H ALA 50 H ALA 50 -0.994 -13.859 -3.067 421 HA ALA 50 HA ALA 50 -2.877 -11.825 -3.092 422 1HB ALA 50 1HB ALA 50 -2.498 -12.592 -0.393 423 2HB ALA 50 2HB ALA 50 -3.737 -13.132 -1.523 424 3HB ALA 50 3HB ALA 50 -2.213 -14.011 -1.400 425 H LEU 51 H LEU 51 0.296 -11.907 -1.578 426 HA LEU 51 HA LEU 51 0.021 -9.610 0.026 427 1HB LEU 51 1HB LEU 51 2.260 -11.247 -1.002 428 2HB LEU 51 2HB LEU 51 2.663 -9.606 -0.536 429 HG LEU 51 HG LEU 51 1.406 -10.220 1.677 430 1HD1 LEU 51 1HD1 LEU 51 1.130 -12.410 2.211 431 2HD1 LEU 51 2HD1 LEU 51 0.871 -12.520 0.469 432 3HD1 LEU 51 3HD1 LEU 51 2.439 -12.948 1.159 433 1HD2 LEU 51 1HD2 LEU 51 4.166 -11.108 0.885 434 2HD2 LEU 51 2HD2 LEU 51 3.692 -9.635 1.729 435 3HD2 LEU 51 3HD2 LEU 51 3.575 -11.194 2.544 436 H MET 52 H MET 52 1.530 -9.987 -3.185 437 HA MET 52 HA MET 52 2.192 -7.342 -3.647 438 1HB MET 52 1HB MET 52 2.229 -9.707 -5.109 439 2HB MET 52 2HB MET 52 1.201 -8.641 -6.055 440 1HG MET 52 1HG MET 52 3.524 -7.216 -5.175 441 2HG MET 52 2HG MET 52 4.002 -8.716 -5.969 442 1HE MET 52 1HE MET 52 2.460 -5.446 -5.964 443 2HE MET 52 2HE MET 52 2.548 -4.881 -7.633 444 3HE MET 52 3HE MET 52 1.112 -5.733 -7.066 445 H GLN 53 H GLN 53 -0.883 -8.988 -4.287 446 HA GLN 53 HA GLN 53 -2.133 -6.734 -5.491 447 1HB GLN 53 1HB GLN 53 -3.499 -9.057 -4.127 448 2HB GLN 53 2HB GLN 53 -4.176 -7.998 -5.357 449 1HG GLN 53 1HG GLN 53 -1.893 -9.915 -5.765 450 2HG GLN 53 2HG GLN 53 -3.565 -10.188 -6.252 451 1HE2 GLN 53 1HE2 GLN 53 -3.446 -7.935 -8.985 452 2HE2 GLN 53 2HE2 GLN 53 -4.482 -8.597 -7.770 453 H GLU 54 H GLU 54 -1.876 -7.936 -2.206 454 HA GLU 54 HA GLU 54 -3.857 -6.311 -1.033 455 1HB GLU 54 1HB GLU 54 -2.013 -8.244 -0.160 456 2HB GLU 54 2HB GLU 54 -1.642 -6.793 0.760 457 1HG GLU 54 1HG GLU 54 -3.987 -6.657 1.464 458 2HG GLU 54 2HG GLU 54 -4.325 -8.143 0.575 459 H LEU 55 H LEU 55 -0.458 -5.791 -1.753 460 HA LEU 55 HA LEU 55 -0.166 -3.363 -0.331 461 1HB LEU 55 1HB LEU 55 1.777 -4.603 -0.913 462 2HB LEU 55 2HB LEU 55 1.343 -4.619 -2.609 463 HG LEU 55 HG LEU 55 1.618 -2.038 -2.458 464 1HD1 LEU 55 1HD1 LEU 55 1.991 -2.509 0.166 465 2HD1 LEU 55 2HD1 LEU 55 3.661 -2.556 -0.400 466 3HD1 LEU 55 3HD1 LEU 55 2.671 -1.124 -0.688 467 1HD2 LEU 55 1HD2 LEU 55 3.582 -2.345 -3.513 468 2HD2 LEU 55 2HD2 LEU 55 4.257 -3.310 -2.199 469 3HD2 LEU 55 3HD2 LEU 55 3.166 -4.054 -3.370 470 H ASN 56 H ASN 56 -1.211 -4.160 -3.589 471 HA ASN 56 HA ASN 56 -1.126 -1.571 -4.682 472 1HB ASN 56 1HB ASN 56 -2.307 -4.162 -5.402 473 2HB ASN 56 2HB ASN 56 -3.200 -2.773 -6.016 474 1HD2 ASN 56 1HD2 ASN 56 0.504 -3.678 -7.440 475 2HD2 ASN 56 2HD2 ASN 56 -0.096 -4.390 -5.984 476 H SER 57 H SER 57 -3.473 -3.201 -2.674 477 HA SER 57 HA SER 57 -5.604 -1.364 -3.086 478 1HB SER 57 1HB SER 57 -6.214 -3.500 -2.260 479 2HB SER 57 2HB SER 57 -5.032 -3.420 -0.954 480 HG SER 57 HG SER 57 -7.585 -2.535 -1.009 481 H LEU 58 H LEU 58 -3.181 -1.723 -0.505 482 HA LEU 58 HA LEU 58 -4.084 0.532 0.972 483 1HB LEU 58 1HB LEU 58 -1.562 -1.098 1.006 484 2HB LEU 58 2HB LEU 58 -1.739 0.328 2.009 485 HG LEU 58 HG LEU 58 -3.943 -1.606 2.235 486 1HD1 LEU 58 1HD1 LEU 58 -1.156 -2.302 3.138 487 2HD1 LEU 58 2HD1 LEU 58 -2.619 -3.093 3.721 488 3HD1 LEU 58 3HD1 LEU 58 -2.176 -3.206 2.018 489 1HD2 LEU 58 1HD2 LEU 58 -2.756 -1.024 4.709 490 2HD2 LEU 58 2HD2 LEU 58 -2.667 0.462 3.766 491 3HD2 LEU 58 3HD2 LEU 58 -4.224 -0.323 4.030 492 H TRP 59 H TRP 59 -1.842 0.095 -1.658 493 HA TRP 59 HA TRP 59 -0.757 2.771 -1.406 494 1HB TRP 59 1HB TRP 59 0.782 1.045 -2.055 495 2HB TRP 59 2HB TRP 59 -0.285 0.504 -3.341 496 HD1 TRP 59 HD1 TRP 59 0.170 1.445 -5.679 497 HE1 TRP 59 HE1 TRP 59 1.695 3.274 -6.651 498 HE3 TRP 59 HE3 TRP 59 1.845 3.526 -1.315 499 HZ2 TRP 59 HZ2 TRP 59 3.387 5.317 -5.702 500 HZ3 TRP 59 HZ3 TRP 59 3.424 5.406 -1.443 501 HH2 TRP 59 HH2 TRP 59 4.178 6.284 -3.588 502 H GLY 60 H GLY 60 -3.357 1.173 -2.955 503 1HA GLY 60 1HA GLY 60 -3.620 2.927 -5.203 504 2HA GLY 60 2HA GLY 60 -4.832 1.800 -4.614 505 H THR 61 H THR 61 -5.785 2.527 -2.374 506 HA THR 61 HA THR 61 -7.237 4.876 -2.752 507 HB THR 61 HB THR 61 -7.328 2.874 -0.924 508 HG1 THR 61 HG1 THR 61 -8.453 5.328 -0.166 509 1HG2 THR 61 1HG2 THR 61 -7.168 3.878 1.312 510 2HG2 THR 61 2HG2 THR 61 -5.611 3.587 0.536 511 3HG2 THR 61 3HG2 THR 61 -6.274 5.221 0.601 512 H PHE 62 H PHE 62 -4.413 4.196 -0.822 513 HA PHE 62 HA PHE 62 -3.738 6.600 0.304 514 1HB PHE 62 1HB PHE 62 -2.441 4.560 0.629 515 2HB PHE 62 2HB PHE 62 -1.961 4.570 -1.066 516 HD1 PHE 62 HD1 PHE 62 0.381 4.427 -0.510 517 HD2 PHE 62 HD2 PHE 62 -2.015 7.668 0.887 518 HE1 PHE 62 HE1 PHE 62 2.412 5.678 0.086 519 HE2 PHE 62 HE2 PHE 62 0.019 8.921 1.474 520 HZ PHE 62 HZ PHE 62 2.235 7.923 1.073 521 H LYS 63 H LYS 63 -2.948 5.439 -2.916 522 HA LYS 63 HA LYS 63 -1.542 7.631 -3.879 523 1HB LYS 63 1HB LYS 63 -2.456 5.168 -4.834 524 2HB LYS 63 2HB LYS 63 -3.159 6.348 -5.912 525 1HG LYS 63 1HG LYS 63 -0.947 7.253 -6.387 526 2HG LYS 63 2HG LYS 63 -0.231 6.093 -5.266 527 1HD LYS 63 1HD LYS 63 -1.602 5.545 -7.889 528 2HD LYS 63 2HD LYS 63 0.066 5.191 -7.438 529 1HE LYS 63 1HE LYS 63 -0.965 3.667 -5.635 530 2HE LYS 63 2HE LYS 63 -2.456 3.815 -6.559 531 1HZ LYS 63 1HZ LYS 63 -1.081 1.846 -7.136 532 2HZ LYS 63 2HZ LYS 63 -1.423 2.850 -8.452 533 3HZ LYS 63 3HZ LYS 63 0.107 2.893 -7.734 534 H THR 64 H THR 64 -5.036 7.017 -3.819 535 HA THR 64 HA THR 64 -5.961 8.973 -5.512 536 HB THR 64 HB THR 64 -7.110 8.270 -2.799 537 HG1 THR 64 HG1 THR 64 -6.832 6.526 -4.358 538 1HG2 THR 64 1HG2 THR 64 -9.069 9.272 -3.327 539 2HG2 THR 64 2HG2 THR 64 -7.962 10.357 -4.169 540 3HG2 THR 64 3HG2 THR 64 -8.821 9.103 -5.065 541 H GLU 65 H GLU 65 -4.682 9.273 -2.272 542 HA GLU 65 HA GLU 65 -5.099 12.142 -2.193 543 1HB GLU 65 1HB GLU 65 -3.472 10.517 -0.242 544 2HB GLU 65 2HB GLU 65 -4.269 12.061 0.028 545 1HG GLU 65 1HG GLU 65 -5.965 9.736 -0.689 546 2HG GLU 65 2HG GLU 65 -5.261 9.786 0.927 547 H VAL 66 H VAL 66 -2.560 9.812 -2.805 548 HA VAL 66 HA VAL 66 -0.325 11.431 -2.619 549 HB VAL 66 HB VAL 66 -0.803 9.130 -4.491 550 1HG1 VAL 66 1HG1 VAL 66 1.090 10.795 -5.088 551 2HG1 VAL 66 2HG1 VAL 66 1.909 10.105 -3.690 552 3HG1 VAL 66 3HG1 VAL 66 1.451 9.070 -5.042 553 1HG2 VAL 66 1HG2 VAL 66 0.799 9.180 -1.948 554 2HG2 VAL 66 2HG2 VAL 66 -0.915 8.770 -1.983 555 3HG2 VAL 66 3HG2 VAL 66 0.248 7.777 -2.863 556 H TYR 67 H TYR 67 -2.679 11.114 -5.187 557 HA TYR 67 HA TYR 67 -1.226 12.564 -7.148 558 1HB TYR 67 1HB TYR 67 -3.980 11.517 -6.853 559 2HB TYR 67 2HB TYR 67 -3.789 12.884 -7.947 560 HD1 TYR 67 HD1 TYR 67 -4.277 9.630 -8.168 561 HD2 TYR 67 HD2 TYR 67 -1.208 12.394 -9.192 562 HE1 TYR 67 HE1 TYR 67 -3.494 8.102 -9.928 563 HE2 TYR 67 HE2 TYR 67 -0.418 10.873 -10.955 564 HH TYR 67 HH TYR 67 -2.217 8.097 -11.934 565 H ASN 68 H ASN 68 -3.628 13.489 -4.720 566 HA ASN 68 HA ASN 68 -3.539 16.252 -5.613 567 1HB ASN 68 1HB ASN 68 -5.227 16.664 -3.863 568 2HB ASN 68 2HB ASN 68 -5.705 15.370 -4.955 569 1HD2 ASN 68 1HD2 ASN 68 -6.509 13.440 -2.217 570 2HD2 ASN 68 2HD2 ASN 68 -6.977 14.166 -3.713 571 H LEU 69 H LEU 69 -1.771 14.303 -3.498 572 HA LEU 69 HA LEU 69 -1.253 16.038 -1.362 573 1HB LEU 69 1HB LEU 69 0.381 14.563 -0.725 574 2HB LEU 69 2HB LEU 69 -0.568 13.539 -1.781 575 HG LEU 69 HG LEU 69 1.122 14.207 -3.619 576 1HD1 LEU 69 1HD1 LEU 69 3.318 14.449 -1.833 577 2HD1 LEU 69 2HD1 LEU 69 2.785 15.569 -3.087 578 3HD1 LEU 69 3HD1 LEU 69 2.149 15.715 -1.449 579 1HD2 LEU 69 1HD2 LEU 69 1.184 12.204 -1.543 580 2HD2 LEU 69 2HD2 LEU 69 1.581 12.065 -3.254 581 3HD2 LEU 69 3HD2 LEU 69 2.811 12.590 -2.106 582 H ARG 70 H ARG 70 0.047 15.900 -4.600 583 HA ARG 70 HA ARG 70 2.178 17.724 -4.114 584 1HB ARG 70 1HB ARG 70 2.434 17.751 -6.577 585 2HB ARG 70 2HB ARG 70 2.404 16.126 -5.907 586 1HG ARG 70 1HG ARG 70 -0.026 16.025 -6.512 587 2HG ARG 70 2HG ARG 70 0.200 17.545 -7.379 588 1HD ARG 70 1HD ARG 70 1.988 16.443 -8.713 589 2HD ARG 70 2HD ARG 70 1.588 14.923 -7.916 590 HE ARG 70 HE ARG 70 -0.782 15.795 -8.952 591 1HH1 ARG 70 1HH1 ARG 70 1.771 14.673 -11.827 592 2HH1 ARG 70 2HH1 ARG 70 2.379 15.125 -10.269 593 1HH2 ARG 70 1HH2 ARG 70 -0.476 14.715 -12.243 594 2HH2 ARG 70 2HH2 ARG 70 -1.582 15.200 -11.000 595 H MET 71 H MET 71 -0.965 18.269 -4.039 596 HA MET 71 HA MET 71 -0.712 21.003 -5.093 597 1HB MET 71 1HB MET 71 -2.991 19.063 -5.198 598 2HB MET 71 2HB MET 71 -3.327 20.788 -5.175 599 1HG MET 71 1HG MET 71 -2.631 21.088 -7.285 600 2HG MET 71 2HG MET 71 -1.297 19.948 -7.118 601 1HE MET 71 1HE MET 71 -2.322 18.818 -10.019 602 2HE MET 71 2HE MET 71 -1.101 18.681 -8.754 603 3HE MET 71 3HE MET 71 -2.102 17.289 -9.167 604 H ASN 72 H ASN 72 -2.159 18.950 -2.605 605 HA ASN 72 HA ASN 72 -3.328 20.958 -1.048 606 1HB ASN 72 1HB ASN 72 -2.164 18.306 -0.172 607 2HB ASN 72 2HB ASN 72 -3.234 19.311 0.799 608 1HD2 ASN 72 1HD2 ASN 72 -5.067 16.590 -1.049 609 2HD2 ASN 72 2HD2 ASN 72 -3.618 16.594 -0.109 610 H LEU 73 H LEU 73 -2.588 21.550 1.198 611 HA LEU 73 HA LEU 73 0.196 22.442 1.043 612 1HB LEU 73 1HB LEU 73 -2.145 23.734 1.763 613 2HB LEU 73 2HB LEU 73 -1.369 23.414 3.303 614 HG LEU 73 HG LEU 73 -0.776 25.625 2.484 615 1HD1 LEU 73 1HD1 LEU 73 1.171 23.516 2.981 616 2HD1 LEU 73 2HD1 LEU 73 1.838 24.892 2.102 617 3HD1 LEU 73 3HD1 LEU 73 1.052 25.136 3.662 618 1HD2 LEU 73 1HD2 LEU 73 -0.943 25.572 0.175 619 2HD2 LEU 73 2HD2 LEU 73 0.799 25.633 0.429 620 3HD2 LEU 73 3HD2 LEU 73 0.020 24.103 0.035 621 H GLY 74 H GLY 74 -0.134 19.738 1.621 622 1HA GLY 74 1HA GLY 74 0.254 19.512 4.522 623 2HA GLY 74 2HA GLY 74 -0.015 18.177 3.412 624 H GLY 75 H GLY 75 2.323 20.821 3.139 625 1HA GLY 75 1HA GLY 75 4.626 20.136 4.094 626 2HA GLY 75 2HA GLY 75 4.447 18.795 2.972 627 H THR 76 H THR 76 4.948 19.079 0.859 628 HA THR 76 HA THR 76 6.289 21.544 0.158 629 HB THR 76 HB THR 76 7.388 19.546 -0.535 630 HG1 THR 76 HG1 THR 76 6.964 21.383 -2.155 631 1HG2 THR 76 1HG2 THR 76 4.763 18.752 -1.740 632 2HG2 THR 76 2HG2 THR 76 6.291 18.041 -2.254 633 3HG2 THR 76 3HG2 THR 76 5.759 17.871 -0.582 634 H GLY 77 H GLY 77 5.310 23.211 -0.761 635 1HA GLY 77 1HA GLY 77 2.915 22.688 -2.415 636 2HA GLY 77 2HA GLY 77 3.037 24.069 -1.336 637 H PHE 78 H PHE 78 4.730 25.663 -1.811 638 HA PHE 78 HA PHE 78 4.821 26.189 -4.653 639 1HB PHE 78 1HB PHE 78 5.230 27.726 -2.175 640 2HB PHE 78 2HB PHE 78 6.296 28.189 -3.499 641 HD1 PHE 78 HD1 PHE 78 2.715 27.609 -2.690 642 HD2 PHE 78 HD2 PHE 78 5.539 29.632 -5.148 643 HE1 PHE 78 HE1 PHE 78 0.897 28.943 -3.675 644 HE2 PHE 78 HE2 PHE 78 3.726 30.968 -6.138 645 HZ PHE 78 HZ PHE 78 1.402 30.624 -5.401 646 H GLN 79 H GLN 79 6.308 25.117 -5.794 647 HA GLN 79 HA GLN 79 8.927 24.571 -4.630 648 1HB GLN 79 1HB GLN 79 7.284 23.074 -6.240 649 2HB GLN 79 2HB GLN 79 8.451 23.703 -7.394 650 1HG GLN 79 1HG GLN 79 9.838 22.780 -5.078 651 2HG GLN 79 2HG GLN 79 8.730 21.527 -5.628 652 1HE2 GLN 79 1HE2 GLN 79 12.188 21.842 -7.410 653 2HE2 GLN 79 2HE2 GLN 79 11.787 22.340 -5.805 Start of MODEL 41 1 1H MET 1 1H MET 1 -10.607 7.177 -5.134 2 2H MET 1 2H MET 1 -12.312 6.996 -5.187 3 3H MET 1 3H MET 1 -11.620 8.463 -4.630 4 HA MET 1 HA MET 1 -10.481 6.597 -3.057 5 1HB MET 1 1HB MET 1 -12.457 8.760 -2.886 6 2HB MET 1 2HB MET 1 -12.615 7.569 -1.602 7 1HG MET 1 1HG MET 1 -10.869 8.400 -0.534 8 2HG MET 1 2HG MET 1 -9.856 8.245 -1.966 9 1HE MET 1 1HE MET 1 -10.287 9.682 -3.963 10 2HE MET 1 2HE MET 1 -11.624 10.829 -3.938 11 3HE MET 1 3HE MET 1 -9.964 11.405 -3.784 12 H ASP 2 H ASP 2 -10.852 4.523 -2.648 13 HA ASP 2 HA ASP 2 -13.628 3.545 -2.731 14 1HB ASP 2 1HB ASP 2 -11.781 2.865 -4.601 15 2HB ASP 2 2HB ASP 2 -11.516 1.594 -3.411 16 H ARG 3 H ARG 3 -10.472 2.138 -1.866 17 HA ARG 3 HA ARG 3 -11.643 1.301 0.692 18 1HB ARG 3 1HB ARG 3 -10.713 -0.456 -0.844 19 2HB ARG 3 2HB ARG 3 -9.125 0.268 -0.618 20 1HG ARG 3 1HG ARG 3 -9.109 -1.464 0.901 21 2HG ARG 3 2HG ARG 3 -9.587 -0.090 1.901 22 1HD ARG 3 1HD ARG 3 -11.754 -1.629 0.600 23 2HD ARG 3 2HD ARG 3 -10.889 -2.418 1.916 24 HE ARG 3 HE ARG 3 -11.941 0.268 2.374 25 1HH1 ARG 3 1HH1 ARG 3 -13.241 -2.989 4.312 26 2HH1 ARG 3 2HH1 ARG 3 -12.195 -3.172 2.946 27 1HH2 ARG 3 1HH2 ARG 3 -13.880 -0.908 5.004 28 2HH2 ARG 3 2HH2 ARG 3 -13.318 0.500 4.167 29 H VAL 4 H VAL 4 -11.324 3.093 1.957 30 HA VAL 4 HA VAL 4 -8.745 4.387 2.030 31 HB VAL 4 HB VAL 4 -9.761 5.712 3.922 32 1HG1 VAL 4 1HG1 VAL 4 -10.847 5.642 1.141 33 2HG1 VAL 4 2HG1 VAL 4 -11.511 6.781 2.312 34 3HG1 VAL 4 3HG1 VAL 4 -9.796 6.832 1.909 35 1HG2 VAL 4 1HG2 VAL 4 -12.330 4.400 3.074 36 2HG2 VAL 4 2HG2 VAL 4 -11.413 3.904 4.497 37 3HG2 VAL 4 3HG2 VAL 4 -12.073 5.536 4.396 38 H LEU 5 H LEU 5 -7.135 3.844 3.236 39 HA LEU 5 HA LEU 5 -7.424 1.806 5.283 40 1HB LEU 5 1HB LEU 5 -4.839 2.073 5.280 41 2HB LEU 5 2HB LEU 5 -5.637 1.252 3.965 42 HG LEU 5 HG LEU 5 -5.520 3.349 2.651 43 1HD1 LEU 5 1HD1 LEU 5 -3.488 4.747 3.811 44 2HD1 LEU 5 2HD1 LEU 5 -5.193 5.200 3.812 45 3HD1 LEU 5 3HD1 LEU 5 -4.513 4.322 5.182 46 1HD2 LEU 5 1HD2 LEU 5 -3.554 1.453 3.166 47 2HD2 LEU 5 2HD2 LEU 5 -3.679 2.521 1.768 48 3HD2 LEU 5 3HD2 LEU 5 -2.718 3.008 3.170 49 H SER 6 H SER 6 -6.840 2.024 7.415 50 HA SER 6 HA SER 6 -6.906 4.751 8.428 51 1HB SER 6 1HB SER 6 -7.178 3.666 10.644 52 2HB SER 6 2HB SER 6 -8.390 3.126 9.482 53 HG SER 6 HG SER 6 -6.003 1.738 10.147 54 H ARG 7 H ARG 7 -5.527 4.839 10.649 55 HA ARG 7 HA ARG 7 -2.885 5.219 9.898 56 1HB ARG 7 1HB ARG 7 -4.029 6.204 11.902 57 2HB ARG 7 2HB ARG 7 -3.833 4.654 12.708 58 1HG ARG 7 1HG ARG 7 -1.693 5.050 13.197 59 2HG ARG 7 2HG ARG 7 -1.348 5.686 11.588 60 1HD ARG 7 1HD ARG 7 -1.170 7.677 12.584 61 2HD ARG 7 2HD ARG 7 -2.929 7.644 12.695 62 HE ARG 7 HE ARG 7 -2.749 7.316 14.955 63 1HH1 ARG 7 1HH1 ARG 7 1.193 6.596 14.983 64 2HH1 ARG 7 2HH1 ARG 7 0.356 6.720 13.473 65 1HH2 ARG 7 1HH2 ARG 7 0.056 6.844 16.952 66 2HH2 ARG 7 2HH2 ARG 7 -1.649 7.155 16.941 67 H ALA 8 H ALA 8 -4.433 2.381 11.277 68 HA ALA 8 HA ALA 8 -1.998 0.976 11.791 69 1HB ALA 8 1HB ALA 8 -3.847 0.319 13.087 70 2HB ALA 8 2HB ALA 8 -4.876 0.123 11.668 71 3HB ALA 8 3HB ALA 8 -3.563 -1.016 11.971 72 H ASP 9 H ASP 9 -4.232 1.164 9.087 73 HA ASP 9 HA ASP 9 -3.030 -1.029 7.672 74 1HB ASP 9 1HB ASP 9 -4.914 1.111 6.665 75 2HB ASP 9 2HB ASP 9 -4.515 -0.387 5.836 76 H LYS 10 H LYS 10 -3.028 2.526 7.243 77 HA LYS 10 HA LYS 10 -1.268 2.557 5.055 78 1HB LYS 10 1HB LYS 10 -0.884 4.912 5.588 79 2HB LYS 10 2HB LYS 10 -2.592 4.516 5.702 80 1HG LYS 10 1HG LYS 10 -2.673 4.883 7.929 81 2HG LYS 10 2HG LYS 10 -1.020 4.333 8.190 82 1HD LYS 10 1HD LYS 10 -0.634 6.583 6.694 83 2HD LYS 10 2HD LYS 10 -2.048 7.021 7.655 84 1HE LYS 10 1HE LYS 10 -0.007 5.691 9.236 85 2HE LYS 10 2HE LYS 10 0.598 7.153 8.459 86 1HZ LYS 10 1HZ LYS 10 -0.974 8.463 9.540 87 2HZ LYS 10 2HZ LYS 10 -1.950 7.147 9.954 88 3HZ LYS 10 3HZ LYS 10 -0.471 7.381 10.739 89 H GLU 11 H GLU 11 -0.712 2.417 8.517 90 HA GLU 11 HA GLU 11 2.101 2.849 8.404 91 1HB GLU 11 1HB GLU 11 0.207 1.774 10.466 92 2HB GLU 11 2HB GLU 11 1.939 1.591 10.700 93 1HG GLU 11 1HG GLU 11 1.232 4.295 9.951 94 2HG GLU 11 2HG GLU 11 0.392 3.768 11.408 95 H ARG 12 H ARG 12 -0.013 0.088 8.129 96 HA ARG 12 HA ARG 12 1.966 -1.932 8.339 97 1HB ARG 12 1HB ARG 12 -0.404 -2.437 8.637 98 2HB ARG 12 2HB ARG 12 -0.740 -1.947 6.982 99 1HG ARG 12 1HG ARG 12 0.924 -3.803 6.332 100 2HG ARG 12 2HG ARG 12 0.669 -4.389 7.976 101 1HD ARG 12 1HD ARG 12 -1.305 -5.258 7.439 102 2HD ARG 12 2HD ARG 12 -1.837 -3.753 6.690 103 HE ARG 12 HE ARG 12 -0.507 -4.561 4.694 104 1HH1 ARG 12 1HH1 ARG 12 -2.185 -8.032 5.779 105 2HH1 ARG 12 2HH1 ARG 12 -2.026 -6.766 6.947 106 1HH2 ARG 12 1HH2 ARG 12 -1.450 -7.730 3.641 107 2HH2 ARG 12 2HH2 ARG 12 -0.725 -6.228 3.171 108 H LEU 13 H LEU 13 0.731 0.052 5.739 109 HA LEU 13 HA LEU 13 1.800 -1.341 3.547 110 1HB LEU 13 1HB LEU 13 0.176 0.367 3.170 111 2HB LEU 13 2HB LEU 13 1.140 1.561 4.011 112 HG LEU 13 HG LEU 13 2.830 0.912 1.991 113 1HD1 LEU 13 1HD1 LEU 13 0.783 -0.523 1.166 114 2HD1 LEU 13 2HD1 LEU 13 0.232 1.036 0.554 115 3HD1 LEU 13 3HD1 LEU 13 1.784 0.383 0.029 116 1HD2 LEU 13 1HD2 LEU 13 1.747 3.131 2.858 117 2HD2 LEU 13 2HD2 LEU 13 2.436 3.045 1.236 118 3HD2 LEU 13 3HD2 LEU 13 0.690 2.919 1.460 119 H LEU 14 H LEU 14 3.127 1.077 5.720 120 HA LEU 14 HA LEU 14 5.558 1.505 4.345 121 1HB LEU 14 1HB LEU 14 4.703 1.930 7.194 122 2HB LEU 14 2HB LEU 14 6.319 2.325 6.641 123 HG LEU 14 HG LEU 14 3.736 3.537 5.660 124 1HD1 LEU 14 1HD1 LEU 14 5.640 5.421 6.602 125 2HD1 LEU 14 2HD1 LEU 14 4.035 5.060 7.237 126 3HD1 LEU 14 3HD1 LEU 14 5.439 4.172 7.832 127 1HD2 LEU 14 1HD2 LEU 14 4.805 4.016 3.774 128 2HD2 LEU 14 2HD2 LEU 14 5.920 5.003 4.717 129 3HD2 LEU 14 3HD2 LEU 14 6.305 3.315 4.381 130 H GLU 15 H GLU 15 4.545 -0.818 6.782 131 HA GLU 15 HA GLU 15 7.001 -1.814 7.597 132 1HB GLU 15 1HB GLU 15 4.322 -2.508 7.956 133 2HB GLU 15 2HB GLU 15 5.054 -3.941 7.249 134 1HG GLU 15 1HG GLU 15 5.118 -4.062 9.658 135 2HG GLU 15 2HG GLU 15 6.754 -3.935 9.008 136 H LEU 16 H LEU 16 4.915 -3.250 5.084 137 HA LEU 16 HA LEU 16 6.947 -4.961 4.087 138 1HB LEU 16 1HB LEU 16 4.223 -4.138 3.199 139 2HB LEU 16 2HB LEU 16 5.269 -4.931 2.038 140 HG LEU 16 HG LEU 16 5.508 -6.829 3.661 141 1HD1 LEU 16 1HD1 LEU 16 3.512 -6.880 5.320 142 2HD1 LEU 16 2HD1 LEU 16 4.981 -6.009 5.753 143 3HD1 LEU 16 3HD1 LEU 16 3.571 -5.124 5.168 144 1HD2 LEU 16 1HD2 LEU 16 3.228 -7.724 3.229 145 2HD2 LEU 16 2HD2 LEU 16 2.759 -6.128 2.642 146 3HD2 LEU 16 3HD2 LEU 16 4.008 -7.044 1.799 147 H LEU 17 H LEU 17 6.431 -1.644 3.735 148 HA LEU 17 HA LEU 17 7.640 -1.436 1.106 149 1HB LEU 17 1HB LEU 17 6.245 0.381 2.970 150 2HB LEU 17 2HB LEU 17 7.448 1.110 1.928 151 HG LEU 17 HG LEU 17 4.815 0.789 1.298 152 1HD1 LEU 17 1HD1 LEU 17 7.297 1.373 -0.150 153 2HD1 LEU 17 2HD1 LEU 17 5.930 0.901 -1.156 154 3HD1 LEU 17 3HD1 LEU 17 5.785 2.277 -0.065 155 1HD2 LEU 17 1HD2 LEU 17 4.416 -0.983 -0.116 156 2HD2 LEU 17 2HD2 LEU 17 6.130 -1.252 -0.436 157 3HD2 LEU 17 3HD2 LEU 17 5.435 -1.742 1.109 158 H LYS 18 H LYS 18 8.742 -1.654 4.282 159 HA LYS 18 HA LYS 18 10.754 -1.231 5.273 160 1HB LYS 18 1HB LYS 18 11.306 -1.914 2.501 161 2HB LYS 18 2HB LYS 18 12.540 -0.862 3.179 162 1HG LYS 18 1HG LYS 18 13.342 -2.461 4.537 163 2HG LYS 18 2HG LYS 18 11.738 -3.101 4.898 164 1HD LYS 18 1HD LYS 18 12.015 -4.746 3.428 165 2HD LYS 18 2HD LYS 18 12.380 -3.590 2.145 166 1HE LYS 18 1HE LYS 18 14.705 -3.527 3.478 167 2HE LYS 18 2HE LYS 18 14.198 -5.171 3.861 168 1HZ LYS 18 1HZ LYS 18 13.781 -4.718 1.124 169 2HZ LYS 18 2HZ LYS 18 15.356 -4.232 1.501 170 3HZ LYS 18 3HZ LYS 18 14.849 -5.804 1.858 171 H LEU 19 H LEU 19 9.013 0.968 4.144 172 HA LEU 19 HA LEU 19 10.973 3.134 4.090 173 1HB LEU 19 1HB LEU 19 9.485 2.765 2.094 174 2HB LEU 19 2HB LEU 19 8.120 3.148 3.116 175 HG LEU 19 HG LEU 19 9.085 4.955 1.553 176 1HD1 LEU 19 1HD1 LEU 19 8.080 6.544 2.831 177 2HD1 LEU 19 2HD1 LEU 19 7.450 5.080 3.575 178 3HD1 LEU 19 3HD1 LEU 19 8.782 5.944 4.333 179 1HD2 LEU 19 1HD2 LEU 19 11.196 5.546 1.844 180 2HD2 LEU 19 2HD2 LEU 19 10.760 6.184 3.422 181 3HD2 LEU 19 3HD2 LEU 19 11.342 4.535 3.274 182 HA PRO 20 HA PRO 20 9.611 3.462 8.424 183 1HB PRO 20 1HB PRO 20 11.030 6.036 7.911 184 2HB PRO 20 2HB PRO 20 11.146 4.942 9.291 185 1HG PRO 20 1HG PRO 20 12.994 5.012 7.318 186 2HG PRO 20 2HG PRO 20 12.612 3.542 8.229 187 1HD PRO 20 1HD PRO 20 12.040 4.204 5.437 188 2HD PRO 20 2HD PRO 20 12.009 2.628 6.244 189 H ARG 21 H ARG 21 8.421 5.018 9.670 190 HA ARG 21 HA ARG 21 6.390 6.361 8.080 191 1HB ARG 21 1HB ARG 21 5.314 6.684 10.375 192 2HB ARG 21 2HB ARG 21 5.439 5.035 9.775 193 1HG ARG 21 1HG ARG 21 7.000 4.438 11.332 194 2HG ARG 21 2HG ARG 21 7.624 6.080 11.498 195 1HD ARG 21 1HD ARG 21 5.525 6.712 12.652 196 2HD ARG 21 2HD ARG 21 5.007 5.032 12.565 197 HE ARG 21 HE ARG 21 7.293 6.032 14.129 198 1HH1 ARG 21 1HH1 ARG 21 5.241 2.688 14.944 199 2HH1 ARG 21 2HH1 ARG 21 4.870 3.583 13.512 200 1HH2 ARG 21 1HH2 ARG 21 6.886 3.403 16.357 201 2HH2 ARG 21 2HH2 ARG 21 7.774 4.846 16.003 202 H GLN 22 H GLN 22 9.300 7.183 9.411 203 HA GLN 22 HA GLN 22 8.666 9.752 10.499 204 1HB GLN 22 1HB GLN 22 10.680 8.302 11.060 205 2HB GLN 22 2HB GLN 22 11.360 8.818 9.523 206 1HG GLN 22 1HG GLN 22 10.458 11.087 11.042 207 2HG GLN 22 2HG GLN 22 11.567 10.098 11.991 208 1HE2 GLN 22 1HE2 GLN 22 14.389 10.783 10.020 209 2HE2 GLN 22 2HE2 GLN 22 13.666 9.688 11.143 210 H LEU 23 H LEU 23 9.692 8.525 7.390 211 HA LEU 23 HA LEU 23 9.813 11.245 6.330 212 1HB LEU 23 1HB LEU 23 10.983 10.394 4.457 213 2HB LEU 23 2HB LEU 23 11.686 9.656 5.876 214 HG LEU 23 HG LEU 23 11.564 8.026 4.116 215 1HD1 LEU 23 1HD1 LEU 23 10.492 6.241 5.229 216 2HD1 LEU 23 2HD1 LEU 23 11.013 7.356 6.495 217 3HD1 LEU 23 3HD1 LEU 23 9.328 7.327 5.985 218 1HD2 LEU 23 1HD2 LEU 23 8.605 8.061 4.017 219 2HD2 LEU 23 2HD2 LEU 23 9.483 9.310 3.131 220 3HD2 LEU 23 3HD2 LEU 23 9.777 7.611 2.778 221 H TRP 24 H TRP 24 7.458 9.133 6.872 222 HA TRP 24 HA TRP 24 6.047 8.562 4.616 223 1HB TRP 24 1HB TRP 24 5.269 7.915 6.811 224 2HB TRP 24 2HB TRP 24 5.016 9.593 7.265 225 HD1 TRP 24 HD1 TRP 24 2.761 10.737 6.518 226 HE1 TRP 24 HE1 TRP 24 0.577 9.815 5.515 227 HE3 TRP 24 HE3 TRP 24 4.394 6.103 5.134 228 HZ2 TRP 24 HZ2 TRP 24 -0.335 7.430 4.305 229 HZ3 TRP 24 HZ3 TRP 24 2.806 4.554 4.059 230 HH2 TRP 24 HH2 TRP 24 0.492 5.212 3.653 231 H GLY 25 H GLY 25 6.091 9.971 2.919 232 1HA GLY 25 1HA GLY 25 4.219 11.826 2.434 233 2HA GLY 25 2HA GLY 25 5.417 12.772 3.302 234 H ASP 26 H ASP 26 7.603 11.086 2.124 235 HA ASP 26 HA ASP 26 7.961 12.671 -0.260 236 1HB ASP 26 1HB ASP 26 9.736 11.995 1.523 237 2HB ASP 26 2HB ASP 26 9.833 10.493 0.607 238 H PHE 27 H PHE 27 6.257 11.793 -1.555 239 HA PHE 27 HA PHE 27 5.680 9.246 -2.248 240 1HB PHE 27 1HB PHE 27 4.557 11.264 -3.152 241 2HB PHE 27 2HB PHE 27 5.922 11.507 -4.236 242 HD1 PHE 27 HD1 PHE 27 5.379 10.991 -6.401 243 HD2 PHE 27 HD2 PHE 27 3.862 8.548 -3.264 244 HE1 PHE 27 HE1 PHE 27 4.316 9.521 -8.064 245 HE2 PHE 27 HE2 PHE 27 2.795 7.076 -4.921 246 HZ PHE 27 HZ PHE 27 3.021 7.560 -7.324 247 H GLY 28 H GLY 28 8.537 11.019 -3.212 248 1HA GLY 28 1HA GLY 28 9.355 9.279 -5.294 249 2HA GLY 28 2HA GLY 28 10.385 10.410 -4.432 250 H ARG 29 H ARG 29 10.008 9.301 -1.820 251 HA ARG 29 HA ARG 29 11.894 7.134 -2.020 252 1HB ARG 29 1HB ARG 29 10.732 8.739 0.220 253 2HB ARG 29 2HB ARG 29 11.540 7.219 0.580 254 1HG ARG 29 1HG ARG 29 13.437 8.259 -0.921 255 2HG ARG 29 2HG ARG 29 12.662 9.772 -0.446 256 1HD ARG 29 1HD ARG 29 12.920 8.130 1.864 257 2HD ARG 29 2HD ARG 29 14.476 8.168 1.035 258 HE ARG 29 HE ARG 29 13.369 10.773 1.253 259 1HH1 ARG 29 1HH1 ARG 29 15.709 9.426 4.211 260 2HH1 ARG 29 2HH1 ARG 29 15.009 8.303 3.093 261 1HH2 ARG 29 1HH2 ARG 29 15.301 11.667 3.999 262 2HH2 ARG 29 2HH2 ARG 29 14.290 12.250 2.718 263 H MET 30 H MET 30 8.605 7.500 -0.695 264 HA MET 30 HA MET 30 8.289 4.860 0.148 265 1HB MET 30 1HB MET 30 5.791 5.342 -0.188 266 2HB MET 30 2HB MET 30 6.679 6.333 0.959 267 1HG MET 30 1HG MET 30 6.867 8.099 -0.713 268 2HG MET 30 2HG MET 30 5.976 7.107 -1.862 269 1HE MET 30 1HE MET 30 4.392 8.875 2.034 270 2HE MET 30 2HE MET 30 4.651 7.131 2.046 271 3HE MET 30 3HE MET 30 5.998 8.221 1.713 272 H GLN 31 H GLN 31 7.434 6.320 -2.986 273 HA GLN 31 HA GLN 31 6.355 3.955 -4.079 274 1HB GLN 31 1HB GLN 31 6.104 6.318 -4.986 275 2HB GLN 31 2HB GLN 31 7.713 6.123 -5.674 276 1HG GLN 31 1HG GLN 31 6.899 4.147 -6.917 277 2HG GLN 31 2HG GLN 31 5.284 4.456 -6.288 278 1HE2 GLN 31 1HE2 GLN 31 6.817 7.290 -8.815 279 2HE2 GLN 31 2HE2 GLN 31 7.809 6.582 -7.590 280 H GLN 32 H GLN 32 9.632 5.293 -4.058 281 HA GLN 32 HA GLN 32 10.825 3.478 -5.820 282 1HB GLN 32 1HB GLN 32 11.735 5.609 -4.461 283 2HB GLN 32 2HB GLN 32 12.397 4.334 -3.451 284 1HG GLN 32 1HG GLN 32 14.094 4.182 -4.858 285 2HG GLN 32 2HG GLN 32 12.972 3.577 -6.076 286 1HE2 GLN 32 1HE2 GLN 32 14.810 6.516 -7.404 287 2HE2 GLN 32 2HE2 GLN 32 15.263 4.995 -6.723 288 H ALA 33 H ALA 33 10.163 3.272 -2.365 289 HA ALA 33 HA ALA 33 11.485 0.775 -1.979 290 1HB ALA 33 1HB ALA 33 11.055 1.131 0.186 291 2HB ALA 33 2HB ALA 33 10.423 2.699 -0.316 292 3HB ALA 33 3HB ALA 33 9.327 1.335 -0.105 293 H TYR 34 H TYR 34 8.167 1.767 -2.669 294 HA TYR 34 HA TYR 34 6.854 -0.649 -2.334 295 1HB TYR 34 1HB TYR 34 5.741 1.538 -2.841 296 2HB TYR 34 2HB TYR 34 6.282 1.381 -4.508 297 HD1 TYR 34 HD1 TYR 34 3.667 0.618 -2.200 298 HD2 TYR 34 HD2 TYR 34 5.569 -0.742 -5.764 299 HE1 TYR 34 HE1 TYR 34 1.696 -0.758 -2.735 300 HE2 TYR 34 HE2 TYR 34 3.595 -2.103 -6.307 301 HH TYR 34 HH TYR 34 1.318 -2.333 -5.805 302 H LYS 35 H LYS 35 8.523 0.608 -5.203 303 HA LYS 35 HA LYS 35 7.975 -1.585 -6.884 304 1HB LYS 35 1HB LYS 35 9.785 0.745 -6.919 305 2HB LYS 35 2HB LYS 35 10.315 -0.630 -7.879 306 1HG LYS 35 1HG LYS 35 7.832 -0.536 -8.757 307 2HG LYS 35 2HG LYS 35 7.962 1.145 -8.237 308 1HD LYS 35 1HD LYS 35 10.326 0.705 -9.597 309 2HD LYS 35 2HD LYS 35 9.135 -0.196 -10.540 310 1HE LYS 35 1HE LYS 35 8.281 2.485 -9.688 311 2HE LYS 35 2HE LYS 35 9.636 2.460 -10.817 312 1HZ LYS 35 1HZ LYS 35 6.858 1.752 -11.243 313 2HZ LYS 35 2HZ LYS 35 8.002 2.357 -12.333 314 3HZ LYS 35 3HZ LYS 35 7.980 0.707 -11.959 315 H GLN 36 H GLN 36 10.726 -0.867 -4.761 316 HA GLN 36 HA GLN 36 12.347 -3.034 -5.459 317 1HB GLN 36 1HB GLN 36 12.094 -1.282 -3.057 318 2HB GLN 36 2HB GLN 36 13.061 -2.744 -2.918 319 1HG GLN 36 1HG GLN 36 13.539 -0.887 -5.198 320 2HG GLN 36 2HG GLN 36 14.162 -0.486 -3.598 321 1HE2 GLN 36 1HE2 GLN 36 16.910 -2.539 -3.896 322 2HE2 GLN 36 2HE2 GLN 36 16.112 -1.209 -3.136 323 H GLN 37 H GLN 37 9.645 -2.796 -3.235 324 HA GLN 37 HA GLN 37 9.999 -5.537 -2.331 325 1HB GLN 37 1HB GLN 37 7.880 -3.497 -1.637 326 2HB GLN 37 2HB GLN 37 8.085 -5.064 -0.863 327 1HG GLN 37 1HG GLN 37 10.306 -3.059 -0.906 328 2HG GLN 37 2HG GLN 37 9.025 -2.983 0.303 329 1HE2 GLN 37 1HE2 GLN 37 11.968 -5.751 0.532 330 2HE2 GLN 37 2HE2 GLN 37 11.813 -4.681 -0.816 331 H SER 38 H SER 38 8.241 -3.808 -4.720 332 HA SER 38 HA SER 38 6.054 -5.625 -4.973 333 1HB SER 38 1HB SER 38 5.468 -4.409 -6.944 334 2HB SER 38 2HB SER 38 6.104 -3.224 -5.804 335 HG SER 38 HG SER 38 6.905 -3.148 -8.056 336 H LEU 39 H LEU 39 9.282 -5.428 -6.286 337 HA LEU 39 HA LEU 39 8.935 -7.291 -8.393 338 1HB LEU 39 1HB LEU 39 11.171 -5.893 -7.107 339 2HB LEU 39 2HB LEU 39 11.592 -7.467 -7.756 340 HG LEU 39 HG LEU 39 10.184 -5.383 -9.409 341 1HD1 LEU 39 1HD1 LEU 39 12.222 -4.350 -8.692 342 2HD1 LEU 39 2HD1 LEU 39 13.143 -5.813 -9.043 343 3HD1 LEU 39 3HD1 LEU 39 12.425 -4.884 -10.360 344 1HD2 LEU 39 1HD2 LEU 39 12.019 -7.409 -10.536 345 2HD2 LEU 39 2HD2 LEU 39 10.480 -7.996 -9.902 346 3HD2 LEU 39 3HD2 LEU 39 10.502 -6.771 -11.171 347 H LEU 40 H LEU 40 9.733 -7.640 -4.984 348 HA LEU 40 HA LEU 40 10.323 -10.464 -5.304 349 1HB LEU 40 1HB LEU 40 10.827 -10.491 -2.971 350 2HB LEU 40 2HB LEU 40 11.555 -9.057 -3.669 351 HG LEU 40 HG LEU 40 9.285 -7.953 -2.831 352 1HD1 LEU 40 1HD1 LEU 40 8.885 -10.467 -1.887 353 2HD1 LEU 40 2HD1 LEU 40 9.621 -9.681 -0.490 354 3HD1 LEU 40 3HD1 LEU 40 8.157 -9.010 -1.209 355 1HD2 LEU 40 1HD2 LEU 40 10.478 -7.114 -0.966 356 2HD2 LEU 40 2HD2 LEU 40 11.502 -8.547 -0.890 357 3HD2 LEU 40 3HD2 LEU 40 11.672 -7.413 -2.230 358 H LEU 41 H LEU 41 7.579 -8.519 -4.807 359 HA LEU 41 HA LEU 41 6.055 -10.616 -3.480 360 1HB LEU 41 1HB LEU 41 5.482 -7.777 -4.264 361 2HB LEU 41 2HB LEU 41 4.177 -8.862 -3.823 362 HG LEU 41 HG LEU 41 6.519 -8.183 -2.043 363 1HD1 LEU 41 1HD1 LEU 41 5.304 -6.545 -1.049 364 2HD1 LEU 41 2HD1 LEU 41 4.637 -6.419 -2.677 365 3HD1 LEU 41 3HD1 LEU 41 3.757 -7.303 -1.430 366 1HD2 LEU 41 1HD2 LEU 41 4.486 -10.223 -1.938 367 2HD2 LEU 41 2HD2 LEU 41 5.879 -9.966 -0.886 368 3HD2 LEU 41 3HD2 LEU 41 4.359 -9.135 -0.555 369 H HIS 42 H HIS 42 7.078 -10.233 -6.504 370 HA HIS 42 HA HIS 42 4.590 -10.761 -7.901 371 1HB HIS 42 1HB HIS 42 6.644 -9.325 -8.705 372 2HB HIS 42 2HB HIS 42 7.291 -10.888 -9.191 373 HD1 HIS 42 HD1 HIS 42 6.938 -11.182 -11.603 374 HD2 HIS 42 HD2 HIS 42 3.712 -9.275 -9.811 375 HE1 HIS 42 HE1 HIS 42 5.263 -10.825 -13.443 376 HE2 HIS 42 HE2 HIS 42 3.270 -9.785 -12.309 377 HA PRO 43 HA PRO 43 4.926 -15.169 -7.561 378 1HB PRO 43 1HB PRO 43 3.636 -15.830 -9.912 379 2HB PRO 43 2HB PRO 43 2.828 -15.445 -8.391 380 1HG PRO 43 1HG PRO 43 3.321 -13.710 -10.771 381 2HG PRO 43 2HG PRO 43 1.894 -13.801 -9.722 382 1HD PRO 43 1HD PRO 43 3.689 -11.815 -9.508 383 2HD PRO 43 2HD PRO 43 2.857 -12.472 -8.087 384 H ASP 44 H ASP 44 6.282 -13.343 -10.136 385 HA ASP 44 HA ASP 44 7.534 -15.615 -11.419 386 1HB ASP 44 1HB ASP 44 6.892 -13.019 -12.218 387 2HB ASP 44 2HB ASP 44 8.652 -13.033 -12.138 388 H LYS 45 H LYS 45 8.216 -13.493 -8.820 389 HA LYS 45 HA LYS 45 11.031 -14.363 -8.815 390 1HB LYS 45 1HB LYS 45 9.916 -11.901 -7.469 391 2HB LYS 45 2HB LYS 45 11.609 -12.345 -7.636 392 1HG LYS 45 1HG LYS 45 9.786 -11.717 -9.946 393 2HG LYS 45 2HG LYS 45 10.871 -10.554 -9.183 394 1HD LYS 45 1HD LYS 45 12.794 -11.794 -9.841 395 2HD LYS 45 2HD LYS 45 11.809 -13.167 -10.354 396 1HE LYS 45 1HE LYS 45 10.920 -11.933 -12.193 397 2HE LYS 45 2HE LYS 45 11.641 -10.435 -11.610 398 1HZ LYS 45 1HZ LYS 45 12.983 -12.766 -12.830 399 2HZ LYS 45 2HZ LYS 45 13.055 -11.142 -13.296 400 3HZ LYS 45 3HZ LYS 45 13.847 -11.654 -11.891 401 H GLY 46 H GLY 46 8.718 -15.801 -7.733 402 1HA GLY 46 1HA GLY 46 8.413 -17.161 -5.892 403 2HA GLY 46 2HA GLY 46 9.824 -16.414 -5.160 404 H GLY 47 H GLY 47 6.821 -14.877 -6.264 405 1HA GLY 47 1HA GLY 47 6.334 -14.084 -3.458 406 2HA GLY 47 2HA GLY 47 6.083 -12.992 -4.811 407 H SER 48 H SER 48 4.049 -13.401 -3.046 408 HA SER 48 HA SER 48 2.273 -15.416 -4.171 409 1HB SER 48 1HB SER 48 2.439 -13.929 -1.665 410 2HB SER 48 2HB SER 48 0.802 -13.957 -2.318 411 HG SER 48 HG SER 48 2.354 -16.309 -2.144 412 H HIS 49 H HIS 49 0.156 -14.891 -4.963 413 HA HIS 49 HA HIS 49 0.183 -12.503 -6.591 414 1HB HIS 49 1HB HIS 49 -0.625 -14.831 -7.323 415 2HB HIS 49 2HB HIS 49 -2.087 -14.475 -6.410 416 HD1 HIS 49 HD1 HIS 49 -2.715 -14.883 -9.204 417 HD2 HIS 49 HD2 HIS 49 -1.301 -11.203 -7.889 418 HE1 HIS 49 HE1 HIS 49 -3.444 -13.222 -10.945 419 HE2 HIS 49 HE2 HIS 49 -2.490 -11.020 -10.179 420 H ALA 50 H ALA 50 -1.408 -13.648 -3.705 421 HA ALA 50 HA ALA 50 -3.428 -11.601 -3.713 422 1HB ALA 50 1HB ALA 50 -2.587 -13.707 -1.762 423 2HB ALA 50 2HB ALA 50 -3.711 -12.435 -1.287 424 3HB ALA 50 3HB ALA 50 -4.120 -13.521 -2.614 425 H LEU 51 H LEU 51 -0.261 -12.045 -2.257 426 HA LEU 51 HA LEU 51 -0.385 -9.929 -0.402 427 1HB LEU 51 1HB LEU 51 1.764 -11.543 -1.660 428 2HB LEU 51 2HB LEU 51 2.241 -10.014 -0.946 429 HG LEU 51 HG LEU 51 0.803 -11.002 1.097 430 1HD1 LEU 51 1HD1 LEU 51 0.609 -13.114 -0.514 431 2HD1 LEU 51 2HD1 LEU 51 2.145 -13.502 0.260 432 3HD1 LEU 51 3HD1 LEU 51 0.700 -13.261 1.241 433 1HD2 LEU 51 1HD2 LEU 51 3.445 -12.190 1.139 434 2HD2 LEU 51 2HD2 LEU 51 3.480 -10.535 0.534 435 3HD2 LEU 51 3HD2 LEU 51 2.779 -10.880 2.114 436 H MET 52 H MET 52 0.980 -10.053 -3.685 437 HA MET 52 HA MET 52 1.805 -7.400 -3.858 438 1HB MET 52 1HB MET 52 2.421 -9.154 -5.477 439 2HB MET 52 2HB MET 52 0.773 -9.158 -6.085 440 1HG MET 52 1HG MET 52 2.203 -7.897 -7.557 441 2HG MET 52 2HG MET 52 1.030 -6.829 -6.789 442 1HE MET 52 1HE MET 52 1.980 -4.858 -4.729 443 2HE MET 52 2HE MET 52 3.055 -4.030 -5.857 444 3HE MET 52 3HE MET 52 1.562 -4.764 -6.439 445 H GLN 53 H GLN 53 -1.370 -8.810 -4.230 446 HA GLN 53 HA GLN 53 -2.532 -6.428 -5.365 447 1HB GLN 53 1HB GLN 53 -3.847 -8.896 -4.218 448 2HB GLN 53 2HB GLN 53 -4.675 -7.621 -5.099 449 1HG GLN 53 1HG GLN 53 -2.476 -9.323 -6.236 450 2HG GLN 53 2HG GLN 53 -4.195 -9.635 -6.452 451 1HE2 GLN 53 1HE2 GLN 53 -4.331 -7.656 -9.262 452 2HE2 GLN 53 2HE2 GLN 53 -4.857 -9.045 -8.379 453 H GLU 54 H GLU 54 -2.385 -7.973 -2.200 454 HA GLU 54 HA GLU 54 -4.208 -6.328 -0.856 455 1HB GLU 54 1HB GLU 54 -3.190 -8.465 0.004 456 2HB GLU 54 2HB GLU 54 -1.722 -7.558 0.337 457 1HG GLU 54 1HG GLU 54 -2.970 -7.761 2.359 458 2HG GLU 54 2HG GLU 54 -3.030 -6.080 1.832 459 H LEU 55 H LEU 55 -0.672 -6.029 -1.185 460 HA LEU 55 HA LEU 55 -0.475 -3.610 0.261 461 1HB LEU 55 1HB LEU 55 1.465 -4.965 -0.012 462 2HB LEU 55 2HB LEU 55 1.309 -4.948 -1.756 463 HG LEU 55 HG LEU 55 1.706 -2.393 -1.544 464 1HD1 LEU 55 1HD1 LEU 55 3.284 -3.053 0.872 465 2HD1 LEU 55 2HD1 LEU 55 2.545 -1.531 0.378 466 3HD1 LEU 55 3HD1 LEU 55 1.551 -2.805 1.085 467 1HD2 LEU 55 1HD2 LEU 55 3.356 -4.612 -1.954 468 2HD2 LEU 55 2HD2 LEU 55 3.673 -2.939 -2.417 469 3HD2 LEU 55 3HD2 LEU 55 4.252 -3.549 -0.867 470 H ASN 56 H ASN 56 -1.117 -4.367 -3.094 471 HA ASN 56 HA ASN 56 -0.660 -1.835 -4.212 472 1HB ASN 56 1HB ASN 56 -1.563 -4.318 -5.128 473 2HB ASN 56 2HB ASN 56 -2.887 -3.210 -5.469 474 1HD2 ASN 56 1HD2 ASN 56 0.048 -3.371 -8.014 475 2HD2 ASN 56 2HD2 ASN 56 -0.488 -4.613 -6.940 476 H SER 57 H SER 57 -3.428 -3.190 -2.533 477 HA SER 57 HA SER 57 -5.243 -1.093 -3.150 478 1HB SER 57 1HB SER 57 -5.213 -3.476 -1.449 479 2HB SER 57 2HB SER 57 -6.108 -2.134 -0.736 480 HG SER 57 HG SER 57 -7.518 -2.176 -2.370 481 H LEU 58 H LEU 58 -3.016 -1.702 -0.478 482 HA LEU 58 HA LEU 58 -3.812 0.566 1.048 483 1HB LEU 58 1HB LEU 58 -1.295 -1.096 1.118 484 2HB LEU 58 2HB LEU 58 -1.675 0.159 2.281 485 HG LEU 58 HG LEU 58 -3.701 -1.978 1.914 486 1HD1 LEU 58 1HD1 LEU 58 -1.059 -2.413 3.295 487 2HD1 LEU 58 2HD1 LEU 58 -2.482 -3.431 3.518 488 3HD1 LEU 58 3HD1 LEU 58 -1.714 -3.322 1.934 489 1HD2 LEU 58 1HD2 LEU 58 -2.727 -0.150 4.048 490 2HD2 LEU 58 2HD2 LEU 58 -4.373 -0.522 3.542 491 3HD2 LEU 58 3HD2 LEU 58 -3.472 -1.674 4.528 492 H TRP 59 H TRP 59 -1.566 0.043 -1.566 493 HA TRP 59 HA TRP 59 -0.353 2.662 -1.205 494 1HB TRP 59 1HB TRP 59 1.147 0.883 -1.828 495 2HB TRP 59 2HB TRP 59 0.134 0.437 -3.192 496 HD1 TRP 59 HD1 TRP 59 0.809 1.415 -5.454 497 HE1 TRP 59 HE1 TRP 59 2.407 3.264 -6.257 498 HE3 TRP 59 HE3 TRP 59 2.153 3.381 -0.915 499 HZ2 TRP 59 HZ2 TRP 59 4.020 5.274 -5.129 500 HZ3 TRP 59 HZ3 TRP 59 3.736 5.260 -0.880 501 HH2 TRP 59 HH2 TRP 59 4.648 6.186 -2.942 502 H GLY 60 H GLY 60 -2.916 1.154 -2.914 503 1HA GLY 60 1HA GLY 60 -3.050 2.995 -5.107 504 2HA GLY 60 2HA GLY 60 -4.294 1.854 -4.627 505 H THR 61 H THR 61 -5.334 2.498 -2.384 506 HA THR 61 HA THR 61 -6.782 4.853 -2.746 507 HB THR 61 HB THR 61 -6.938 2.798 -0.982 508 HG1 THR 61 HG1 THR 61 -8.548 4.163 0.087 509 1HG2 THR 61 1HG2 THR 61 -5.956 5.103 0.655 510 2HG2 THR 61 2HG2 THR 61 -6.855 3.727 1.290 511 3HG2 THR 61 3HG2 THR 61 -5.270 3.480 0.555 512 H PHE 62 H PHE 62 -4.032 4.117 -0.749 513 HA PHE 62 HA PHE 62 -3.406 6.490 0.474 514 1HB PHE 62 1HB PHE 62 -2.125 4.437 0.783 515 2HB PHE 62 2HB PHE 62 -1.577 4.501 -0.890 516 HD1 PHE 62 HD1 PHE 62 0.719 4.247 -0.028 517 HD2 PHE 62 HD2 PHE 62 -1.700 7.625 0.937 518 HE1 PHE 62 HE1 PHE 62 2.720 5.482 0.688 519 HE2 PHE 62 HE2 PHE 62 0.305 8.860 1.645 520 HZ PHE 62 HZ PHE 62 2.515 7.786 1.516 521 H LYS 63 H LYS 63 -2.458 5.397 -2.734 522 HA LYS 63 HA LYS 63 -1.084 7.670 -3.583 523 1HB LYS 63 1HB LYS 63 -1.893 5.177 -4.642 524 2HB LYS 63 2HB LYS 63 -2.457 6.389 -5.759 525 1HG LYS 63 1HG LYS 63 -0.188 7.281 -5.945 526 2HG LYS 63 2HG LYS 63 0.378 6.054 -4.810 527 1HD LYS 63 1HD LYS 63 -0.690 5.674 -7.597 528 2HD LYS 63 2HD LYS 63 0.891 5.220 -6.958 529 1HE LYS 63 1HE LYS 63 -0.371 3.640 -5.401 530 2HE LYS 63 2HE LYS 63 -1.779 3.943 -6.416 531 1HZ LYS 63 1HZ LYS 63 -0.751 1.996 -7.228 532 2HZ LYS 63 2HZ LYS 63 -0.372 3.217 -8.337 533 3HZ LYS 63 3HZ LYS 63 0.788 2.700 -7.219 534 H THR 64 H THR 64 -4.515 6.866 -3.642 535 HA THR 64 HA THR 64 -5.453 8.814 -5.375 536 HB THR 64 HB THR 64 -6.800 7.990 -2.790 537 HG1 THR 64 HG1 THR 64 -6.236 6.168 -4.022 538 1HG2 THR 64 1HG2 THR 64 -8.879 8.377 -3.942 539 2HG2 THR 64 2HG2 THR 64 -7.907 9.849 -3.930 540 3HG2 THR 64 3HG2 THR 64 -8.011 8.872 -5.394 541 H GLU 65 H GLU 65 -4.423 9.021 -2.046 542 HA GLU 65 HA GLU 65 -5.081 11.834 -1.819 543 1HB GLU 65 1HB GLU 65 -3.384 10.207 0.077 544 2HB GLU 65 2HB GLU 65 -4.267 11.687 0.420 545 1HG GLU 65 1HG GLU 65 -5.857 9.370 -0.488 546 2HG GLU 65 2HG GLU 65 -5.138 9.267 1.116 547 H VAL 66 H VAL 66 -2.401 9.772 -2.600 548 HA VAL 66 HA VAL 66 -0.300 11.578 -2.254 549 HB VAL 66 HB VAL 66 -0.524 9.238 -4.113 550 1HG1 VAL 66 1HG1 VAL 66 2.154 10.073 -3.323 551 2HG1 VAL 66 2HG1 VAL 66 1.538 9.579 -4.900 552 3HG1 VAL 66 3HG1 VAL 66 1.329 11.240 -4.353 553 1HG2 VAL 66 1HG2 VAL 66 0.583 7.995 -2.438 554 2HG2 VAL 66 2HG2 VAL 66 1.025 9.453 -1.547 555 3HG2 VAL 66 3HG2 VAL 66 -0.655 8.922 -1.589 556 H TYR 67 H TYR 67 -1.826 10.562 -5.313 557 HA TYR 67 HA TYR 67 -0.629 12.406 -6.970 558 1HB TYR 67 1HB TYR 67 -2.206 11.827 -8.584 559 2HB TYR 67 2HB TYR 67 -2.227 10.431 -7.513 560 HD1 TYR 67 HD1 TYR 67 -4.026 13.639 -8.150 561 HD2 TYR 67 HD2 TYR 67 -4.230 9.657 -6.673 562 HE1 TYR 67 HE1 TYR 67 -6.464 13.865 -7.898 563 HE2 TYR 67 HE2 TYR 67 -6.668 9.871 -6.418 564 HH TYR 67 HH TYR 67 -8.282 12.298 -6.111 565 H ASN 68 H ASN 68 -3.195 12.872 -4.690 566 HA ASN 68 HA ASN 68 -3.811 15.533 -5.692 567 1HB ASN 68 1HB ASN 68 -5.090 13.598 -3.893 568 2HB ASN 68 2HB ASN 68 -5.204 15.266 -3.340 569 1HD2 ASN 68 1HD2 ASN 68 -8.001 14.237 -5.679 570 2HD2 ASN 68 2HD2 ASN 68 -7.256 13.421 -4.353 571 H LEU 69 H LEU 69 -1.869 14.011 -3.268 572 HA LEU 69 HA LEU 69 -1.679 16.051 -1.367 573 1HB LEU 69 1HB LEU 69 0.033 14.843 -0.435 574 2HB LEU 69 2HB LEU 69 -0.719 13.604 -1.414 575 HG LEU 69 HG LEU 69 1.051 14.331 -3.205 576 1HD1 LEU 69 1HD1 LEU 69 1.722 16.137 -1.277 577 2HD1 LEU 69 2HD1 LEU 69 2.883 14.843 -0.987 578 3HD1 LEU 69 3HD1 LEU 69 2.782 15.595 -2.577 579 1HD2 LEU 69 1HD2 LEU 69 2.701 12.884 -1.509 580 2HD2 LEU 69 2HD2 LEU 69 1.067 12.429 -1.021 581 3HD2 LEU 69 3HD2 LEU 69 1.575 12.230 -2.696 582 H ARG 70 H ARG 70 -0.129 15.654 -4.476 583 HA ARG 70 HA ARG 70 1.757 17.761 -4.075 584 1HB ARG 70 1HB ARG 70 0.896 16.424 -6.637 585 2HB ARG 70 2HB ARG 70 2.300 17.467 -6.448 586 1HG ARG 70 1HG ARG 70 2.262 15.236 -4.573 587 2HG ARG 70 2HG ARG 70 2.293 14.735 -6.266 588 1HD ARG 70 1HD ARG 70 4.552 14.938 -5.573 589 2HD ARG 70 2HD ARG 70 4.203 16.333 -6.592 590 HE ARG 70 HE ARG 70 4.023 16.593 -3.677 591 1HH1 ARG 70 1HH1 ARG 70 6.465 18.767 -5.990 592 2HH1 ARG 70 2HH1 ARG 70 5.598 17.441 -6.681 593 1HH2 ARG 70 1HH2 ARG 70 6.220 19.278 -3.775 594 2HH2 ARG 70 2HH2 ARG 70 5.160 18.340 -2.776 595 H MET 71 H MET 71 -1.422 17.905 -4.348 596 HA MET 71 HA MET 71 -1.419 20.401 -5.899 597 1HB MET 71 1HB MET 71 -3.767 18.622 -5.220 598 2HB MET 71 2HB MET 71 -3.816 20.063 -6.224 599 1HG MET 71 1HG MET 71 -1.844 18.181 -7.176 600 2HG MET 71 2HG MET 71 -3.441 17.446 -7.061 601 1HE MET 71 1HE MET 71 -5.375 18.455 -9.769 602 2HE MET 71 2HE MET 71 -4.002 17.420 -10.159 603 3HE MET 71 3HE MET 71 -4.801 17.273 -8.594 604 H ASN 72 H ASN 72 -0.758 19.864 -2.982 605 HA ASN 72 HA ASN 72 -2.785 21.622 -1.770 606 1HB ASN 72 1HB ASN 72 -0.859 19.716 -0.423 607 2HB ASN 72 2HB ASN 72 -2.034 20.733 0.403 608 1HD2 ASN 72 1HD2 ASN 72 -4.828 18.827 -0.918 609 2HD2 ASN 72 2HD2 ASN 72 -4.309 20.472 -0.820 610 H LEU 73 H LEU 73 0.643 21.137 -2.315 611 HA LEU 73 HA LEU 73 1.410 23.442 -0.760 612 1HB LEU 73 1HB LEU 73 2.742 21.222 -1.365 613 2HB LEU 73 2HB LEU 73 3.257 22.194 -2.731 614 HG LEU 73 HG LEU 73 3.544 23.160 0.104 615 1HD1 LEU 73 1HD1 LEU 73 5.159 21.691 0.478 616 2HD1 LEU 73 2HD1 LEU 73 4.930 20.986 -1.122 617 3HD1 LEU 73 3HD1 LEU 73 6.045 22.335 -0.905 618 1HD2 LEU 73 1HD2 LEU 73 4.379 24.986 -0.838 619 2HD2 LEU 73 2HD2 LEU 73 5.550 24.027 -1.744 620 3HD2 LEU 73 3HD2 LEU 73 3.951 24.338 -2.421 621 H GLY 74 H GLY 74 0.256 25.119 -1.737 622 1HA GLY 74 1HA GLY 74 1.295 26.932 -3.279 623 2HA GLY 74 2HA GLY 74 0.939 25.747 -4.526 624 H GLY 75 H GLY 75 -1.531 24.813 -3.570 625 1HA GLY 75 1HA GLY 75 -3.736 25.556 -3.091 626 2HA GLY 75 2HA GLY 75 -3.229 27.203 -3.436 627 H THR 76 H THR 76 -5.517 26.558 -4.543 628 HA THR 76 HA THR 76 -5.241 25.330 -7.124 629 HB THR 76 HB THR 76 -7.565 25.823 -7.427 630 HG1 THR 76 HG1 THR 76 -7.282 27.585 -5.224 631 1HG2 THR 76 1HG2 THR 76 -6.840 24.193 -5.523 632 2HG2 THR 76 2HG2 THR 76 -7.546 25.429 -4.482 633 3HG2 THR 76 3HG2 THR 76 -8.530 24.652 -5.721 634 H GLY 77 H GLY 77 -4.641 26.263 -8.967 635 1HA GLY 77 1HA GLY 77 -5.264 28.971 -9.620 636 2HA GLY 77 2HA GLY 77 -3.572 28.797 -9.174 637 H PHE 78 H PHE 78 -6.000 27.201 -11.240 638 HA PHE 78 HA PHE 78 -3.883 26.591 -13.169 639 1HB PHE 78 1HB PHE 78 -5.520 24.819 -12.351 640 2HB PHE 78 2HB PHE 78 -6.753 25.665 -13.280 641 HD1 PHE 78 HD1 PHE 78 -3.194 24.897 -14.066 642 HD2 PHE 78 HD2 PHE 78 -7.289 24.326 -15.076 643 HE1 PHE 78 HE1 PHE 78 -2.519 23.653 -16.079 644 HE2 PHE 78 HE2 PHE 78 -6.623 23.080 -17.089 645 HZ PHE 78 HZ PHE 78 -4.236 22.742 -17.594 646 H GLN 79 H GLN 79 -3.679 28.778 -13.901 647 HA GLN 79 HA GLN 79 -5.959 29.944 -15.283 648 1HB GLN 79 1HB GLN 79 -3.761 31.008 -13.929 649 2HB GLN 79 2HB GLN 79 -3.452 31.365 -15.621 650 1HG GLN 79 1HG GLN 79 -5.876 32.231 -15.652 651 2HG GLN 79 2HG GLN 79 -5.725 32.248 -13.895 652 1HE2 GLN 79 1HE2 GLN 79 -4.358 35.406 -13.998 653 2HE2 GLN 79 2HE2 GLN 79 -5.467 34.278 -13.302 Start of MODEL 42 1 1H MET 1 1H MET 1 -18.316 0.606 0.768 2 2H MET 1 2H MET 1 -19.174 0.647 2.255 3 3H MET 1 3H MET 1 -19.406 1.888 1.092 4 HA MET 1 HA MET 1 -18.055 2.810 2.684 5 1HB MET 1 1HB MET 1 -16.700 0.125 2.583 6 2HB MET 1 2HB MET 1 -15.887 1.524 3.270 7 1HG MET 1 1HG MET 1 -16.886 1.117 5.193 8 2HG MET 1 2HG MET 1 -18.439 1.457 4.432 9 1HE MET 1 1HE MET 1 -15.799 -1.097 5.386 10 2HE MET 1 2HE MET 1 -16.560 -2.670 5.145 11 3HE MET 1 3HE MET 1 -15.998 -1.739 3.756 12 H ASP 2 H ASP 2 -16.667 4.337 1.983 13 HA ASP 2 HA ASP 2 -15.879 4.417 -0.714 14 1HB ASP 2 1HB ASP 2 -14.720 6.051 1.551 15 2HB ASP 2 2HB ASP 2 -14.731 6.470 -0.159 16 H ARG 3 H ARG 3 -13.360 5.204 -0.997 17 HA ARG 3 HA ARG 3 -11.833 2.810 -0.261 18 1HB ARG 3 1HB ARG 3 -11.790 4.682 -2.569 19 2HB ARG 3 2HB ARG 3 -10.251 3.989 -2.077 20 1HG ARG 3 1HG ARG 3 -11.593 1.742 -2.146 21 2HG ARG 3 2HG ARG 3 -12.654 2.657 -3.218 22 1HD ARG 3 1HD ARG 3 -11.032 2.898 -4.836 23 2HD ARG 3 2HD ARG 3 -9.710 2.718 -3.683 24 HE ARG 3 HE ARG 3 -11.298 0.343 -4.034 25 1HH1 ARG 3 1HH1 ARG 3 -7.786 0.791 -5.909 26 2HH1 ARG 3 2HH1 ARG 3 -8.559 2.167 -5.200 27 1HH2 ARG 3 1HH2 ARG 3 -8.764 -1.273 -5.779 28 2HH2 ARG 3 2HH2 ARG 3 -10.283 -1.467 -4.968 29 H VAL 4 H VAL 4 -11.420 3.607 1.890 30 HA VAL 4 HA VAL 4 -9.126 5.430 1.928 31 HB VAL 4 HB VAL 4 -9.961 6.468 4.027 32 1HG1 VAL 4 1HG1 VAL 4 -10.157 7.725 2.014 33 2HG1 VAL 4 2HG1 VAL 4 -11.589 6.821 1.518 34 3HG1 VAL 4 3HG1 VAL 4 -11.671 7.914 2.901 35 1HG2 VAL 4 1HG2 VAL 4 -12.561 5.128 3.286 36 2HG2 VAL 4 2HG2 VAL 4 -11.543 4.714 4.666 37 3HG2 VAL 4 3HG2 VAL 4 -12.324 6.292 4.591 38 H LEU 5 H LEU 5 -7.488 4.571 2.945 39 HA LEU 5 HA LEU 5 -7.849 2.178 4.551 40 1HB LEU 5 1HB LEU 5 -5.628 1.736 4.174 41 2HB LEU 5 2HB LEU 5 -6.087 2.549 2.717 42 HG LEU 5 HG LEU 5 -4.667 3.902 5.002 43 1HD1 LEU 5 1HD1 LEU 5 -2.842 3.815 3.049 44 2HD1 LEU 5 2HD1 LEU 5 -2.960 2.582 4.301 45 3HD1 LEU 5 3HD1 LEU 5 -3.679 2.300 2.719 46 1HD2 LEU 5 1HD2 LEU 5 -5.720 4.702 2.374 47 2HD2 LEU 5 2HD2 LEU 5 -5.545 5.637 3.857 48 3HD2 LEU 5 3HD2 LEU 5 -4.145 5.348 2.824 49 H SER 6 H SER 6 -7.457 1.982 6.684 50 HA SER 6 HA SER 6 -7.547 4.381 8.251 51 1HB SER 6 1HB SER 6 -7.680 2.858 10.175 52 2HB SER 6 2HB SER 6 -8.809 2.379 8.909 53 HG SER 6 HG SER 6 -6.568 1.083 9.876 54 H ARG 7 H ARG 7 -6.129 4.263 10.378 55 HA ARG 7 HA ARG 7 -3.533 4.976 9.677 56 1HB ARG 7 1HB ARG 7 -4.734 5.583 11.798 57 2HB ARG 7 2HB ARG 7 -4.419 3.955 12.381 58 1HG ARG 7 1HG ARG 7 -2.104 4.322 12.487 59 2HG ARG 7 2HG ARG 7 -2.209 5.786 11.507 60 1HD ARG 7 1HD ARG 7 -3.026 7.055 13.249 61 2HD ARG 7 2HD ARG 7 -3.676 5.659 14.101 62 HE ARG 7 HE ARG 7 -0.883 6.545 14.091 63 1HH1 ARG 7 1HH1 ARG 7 -2.380 3.852 16.653 64 2HH1 ARG 7 2HH1 ARG 7 -3.350 4.390 15.325 65 1HH2 ARG 7 1HH2 ARG 7 -0.266 4.663 16.943 66 2HH2 ARG 7 2HH2 ARG 7 0.382 5.825 15.835 67 H ALA 8 H ALA 8 -4.877 1.876 10.577 68 HA ALA 8 HA ALA 8 -2.407 0.540 10.999 69 1HB ALA 8 1HB ALA 8 -4.479 -1.245 10.111 70 2HB ALA 8 2HB ALA 8 -3.740 -1.090 11.706 71 3HB ALA 8 3HB ALA 8 -5.122 -0.084 11.272 72 H ASP 9 H ASP 9 -4.476 1.041 8.181 73 HA ASP 9 HA ASP 9 -3.169 -0.774 6.468 74 1HB ASP 9 1HB ASP 9 -4.932 1.607 6.064 75 2HB ASP 9 2HB ASP 9 -4.143 0.877 4.685 76 H LYS 10 H LYS 10 -2.902 2.801 6.562 77 HA LYS 10 HA LYS 10 -0.727 2.970 4.813 78 1HB LYS 10 1HB LYS 10 -0.273 5.181 6.051 79 2HB LYS 10 2HB LYS 10 -1.813 4.996 5.230 80 1HG LYS 10 1HG LYS 10 -2.957 5.260 7.110 81 2HG LYS 10 2HG LYS 10 -1.946 4.104 7.974 82 1HD LYS 10 1HD LYS 10 -0.710 6.717 7.385 83 2HD LYS 10 2HD LYS 10 -2.033 6.730 8.555 84 1HE LYS 10 1HE LYS 10 -0.901 5.358 10.041 85 2HE LYS 10 2HE LYS 10 0.164 4.717 8.791 86 1HZ LYS 10 1HZ LYS 10 1.646 6.170 9.552 87 2HZ LYS 10 2HZ LYS 10 0.721 7.384 8.824 88 3HZ LYS 10 3HZ LYS 10 0.499 7.018 10.461 89 H GLU 11 H GLU 11 -0.902 2.476 8.269 90 HA GLU 11 HA GLU 11 1.893 2.653 8.774 91 1HB GLU 11 1HB GLU 11 0.206 2.909 10.553 92 2HB GLU 11 2HB GLU 11 -0.275 1.232 10.338 93 1HG GLU 11 1HG GLU 11 1.105 1.094 12.161 94 2HG GLU 11 2HG GLU 11 2.217 0.723 10.844 95 H ARG 12 H ARG 12 -0.243 0.200 7.594 96 HA ARG 12 HA ARG 12 1.625 -1.973 7.991 97 1HB ARG 12 1HB ARG 12 -0.806 -2.362 8.129 98 2HB ARG 12 2HB ARG 12 -0.979 -1.862 6.453 99 1HG ARG 12 1HG ARG 12 0.757 -3.786 6.033 100 2HG ARG 12 2HG ARG 12 0.139 -4.373 7.579 101 1HD ARG 12 1HD ARG 12 -2.087 -3.601 6.011 102 2HD ARG 12 2HD ARG 12 -1.034 -4.576 4.988 103 HE ARG 12 HE ARG 12 -1.528 -6.414 6.273 104 1HH1 ARG 12 1HH1 ARG 12 -3.517 -4.414 9.117 105 2HH1 ARG 12 2HH1 ARG 12 -2.646 -3.538 7.904 106 1HH2 ARG 12 1HH2 ARG 12 -3.532 -6.701 9.097 107 2HH2 ARG 12 2HH2 ARG 12 -2.673 -7.567 7.867 108 H LEU 13 H LEU 13 0.658 0.250 5.490 109 HA LEU 13 HA LEU 13 1.813 -1.101 3.284 110 1HB LEU 13 1HB LEU 13 0.168 0.600 2.902 111 2HB LEU 13 2HB LEU 13 1.105 1.787 3.786 112 HG LEU 13 HG LEU 13 2.847 1.114 1.793 113 1HD1 LEU 13 1HD1 LEU 13 1.853 0.501 -0.126 114 2HD1 LEU 13 2HD1 LEU 13 0.584 -0.110 0.935 115 3HD1 LEU 13 3HD1 LEU 13 0.417 1.476 0.187 116 1HD2 LEU 13 1HD2 LEU 13 1.934 3.350 2.697 117 2HD2 LEU 13 2HD2 LEU 13 2.495 3.277 1.024 118 3HD2 LEU 13 3HD2 LEU 13 0.766 3.226 1.379 119 H LEU 14 H LEU 14 3.015 1.088 5.721 120 HA LEU 14 HA LEU 14 5.484 1.704 4.466 121 1HB LEU 14 1HB LEU 14 4.409 1.927 7.250 122 2HB LEU 14 2HB LEU 14 6.114 2.212 6.950 123 HG LEU 14 HG LEU 14 3.785 3.752 5.813 124 1HD1 LEU 14 1HD1 LEU 14 6.054 4.692 7.553 125 2HD1 LEU 14 2HD1 LEU 14 4.604 5.581 7.094 126 3HD1 LEU 14 3HD1 LEU 14 4.482 4.194 8.176 127 1HD2 LEU 14 1HD2 LEU 14 6.397 3.352 4.719 128 2HD2 LEU 14 2HD2 LEU 14 5.068 4.332 4.103 129 3HD2 LEU 14 3HD2 LEU 14 6.225 5.029 5.234 130 H GLU 15 H GLU 15 4.459 -0.748 6.795 131 HA GLU 15 HA GLU 15 6.923 -1.811 7.492 132 1HB GLU 15 1HB GLU 15 4.697 -2.424 8.477 133 2HB GLU 15 2HB GLU 15 4.393 -3.402 7.047 134 1HG GLU 15 1HG GLU 15 5.577 -5.092 7.850 135 2HG GLU 15 2HG GLU 15 6.945 -4.045 8.221 136 H LEU 16 H LEU 16 4.821 -2.670 4.763 137 HA LEU 16 HA LEU 16 6.707 -4.571 3.711 138 1HB LEU 16 1HB LEU 16 4.058 -3.493 2.879 139 2HB LEU 16 2HB LEU 16 5.061 -4.251 1.658 140 HG LEU 16 HG LEU 16 4.859 -5.882 4.058 141 1HD1 LEU 16 1HD1 LEU 16 2.608 -4.597 3.908 142 2HD1 LEU 16 2HD1 LEU 16 2.297 -5.663 2.539 143 3HD1 LEU 16 3HD1 LEU 16 2.601 -6.346 4.136 144 1HD2 LEU 16 1HD2 LEU 16 3.756 -6.805 1.493 145 2HD2 LEU 16 2HD2 LEU 16 5.439 -6.278 1.448 146 3HD2 LEU 16 3HD2 LEU 16 4.947 -7.557 2.557 147 H LEU 17 H LEU 17 6.345 -1.194 3.551 148 HA LEU 17 HA LEU 17 7.688 -0.928 0.986 149 1HB LEU 17 1HB LEU 17 6.274 0.884 2.849 150 2HB LEU 17 2HB LEU 17 7.562 1.594 1.898 151 HG LEU 17 HG LEU 17 5.140 1.705 1.009 152 1HD1 LEU 17 1HD1 LEU 17 7.361 2.178 -0.188 153 2HD1 LEU 17 2HD1 LEU 17 7.121 0.606 -0.948 154 3HD1 LEU 17 3HD1 LEU 17 5.927 1.884 -1.172 155 1HD2 LEU 17 1HD2 LEU 17 5.175 -0.981 1.323 156 2HD2 LEU 17 2HD2 LEU 17 4.119 -0.125 0.201 157 3HD2 LEU 17 3HD2 LEU 17 5.626 -0.840 -0.376 158 H LYS 18 H LYS 18 8.655 -1.422 4.148 159 HA LYS 18 HA LYS 18 10.624 -1.120 5.270 160 1HB LYS 18 1HB LYS 18 11.287 -1.615 2.480 161 2HB LYS 18 2HB LYS 18 12.517 -0.660 3.291 162 1HG LYS 18 1HG LYS 18 13.298 -2.439 4.363 163 2HG LYS 18 2HG LYS 18 11.688 -2.872 4.941 164 1HD LYS 18 1HD LYS 18 11.218 -3.992 2.824 165 2HD LYS 18 2HD LYS 18 12.812 -3.534 2.219 166 1HE LYS 18 1HE LYS 18 13.080 -5.744 2.935 167 2HE LYS 18 2HE LYS 18 13.741 -4.775 4.252 168 1HZ LYS 18 1HZ LYS 18 11.013 -5.151 4.735 169 2HZ LYS 18 2HZ LYS 18 11.671 -6.660 4.351 170 3HZ LYS 18 3HZ LYS 18 12.324 -5.753 5.620 171 H LEU 19 H LEU 19 9.003 1.211 4.259 172 HA LEU 19 HA LEU 19 11.027 3.325 4.400 173 1HB LEU 19 1HB LEU 19 9.667 3.237 2.352 174 2HB LEU 19 2HB LEU 19 8.209 3.356 3.315 175 HG LEU 19 HG LEU 19 10.061 5.558 3.799 176 1HD1 LEU 19 1HD1 LEU 19 10.626 6.041 1.710 177 2HD1 LEU 19 2HD1 LEU 19 9.643 4.724 1.077 178 3HD1 LEU 19 3HD1 LEU 19 8.919 6.308 1.360 179 1HD2 LEU 19 1HD2 LEU 19 7.825 6.731 3.070 180 2HD2 LEU 19 2HD2 LEU 19 7.163 5.112 3.287 181 3HD2 LEU 19 3HD2 LEU 19 7.959 5.926 4.634 182 HA PRO 20 HA PRO 20 9.490 3.706 8.644 183 1HB PRO 20 1HB PRO 20 10.958 6.279 8.316 184 2HB PRO 20 2HB PRO 20 11.026 5.103 9.633 185 1HG PRO 20 1HG PRO 20 12.977 5.254 7.818 186 2HG PRO 20 2HG PRO 20 12.455 3.695 8.483 187 1HD PRO 20 1HD PRO 20 11.949 4.884 5.807 188 2HD PRO 20 2HD PRO 20 12.114 3.180 6.277 189 H ARG 21 H ARG 21 8.350 5.415 9.870 190 HA ARG 21 HA ARG 21 6.357 6.685 8.179 191 1HB ARG 21 1HB ARG 21 6.401 6.676 11.188 192 2HB ARG 21 2HB ARG 21 5.017 6.881 10.122 193 1HG ARG 21 1HG ARG 21 4.614 4.712 10.194 194 2HG ARG 21 2HG ARG 21 6.216 4.373 9.541 195 1HD ARG 21 1HD ARG 21 6.266 5.092 12.366 196 2HD ARG 21 2HD ARG 21 5.294 3.658 12.037 197 HE ARG 21 HE ARG 21 7.894 3.658 10.787 198 1HH1 ARG 21 1HH1 ARG 21 7.178 1.577 14.134 199 2HH1 ARG 21 2HH1 ARG 21 6.059 2.800 13.629 200 1HH2 ARG 21 1HH2 ARG 21 9.057 1.156 12.898 201 2HH2 ARG 21 2HH2 ARG 21 9.367 2.055 11.451 202 H GLN 22 H GLN 22 9.251 7.540 9.594 203 HA GLN 22 HA GLN 22 8.671 10.174 10.483 204 1HB GLN 22 1HB GLN 22 10.667 8.760 11.119 205 2HB GLN 22 2HB GLN 22 11.331 9.115 9.531 206 1HG GLN 22 1HG GLN 22 12.189 10.994 10.304 207 2HG GLN 22 2HG GLN 22 10.573 11.574 10.709 208 1HE2 GLN 22 1HE2 GLN 22 12.701 11.582 13.746 209 2HE2 GLN 22 2HE2 GLN 22 12.809 12.283 12.170 210 H LEU 23 H LEU 23 9.691 8.767 7.453 211 HA LEU 23 HA LEU 23 9.738 11.415 6.217 212 1HB LEU 23 1HB LEU 23 10.997 10.491 4.434 213 2HB LEU 23 2HB LEU 23 11.702 9.910 5.926 214 HG LEU 23 HG LEU 23 11.741 8.135 4.324 215 1HD1 LEU 23 1HD1 LEU 23 10.644 6.377 5.472 216 2HD1 LEU 23 2HD1 LEU 23 11.116 7.567 6.690 217 3HD1 LEU 23 3HD1 LEU 23 9.444 7.484 6.141 218 1HD2 LEU 23 1HD2 LEU 23 8.794 8.040 4.073 219 2HD2 LEU 23 2HD2 LEU 23 9.692 9.215 3.107 220 3HD2 LEU 23 3HD2 LEU 23 10.047 7.498 2.959 221 H TRP 24 H TRP 24 7.400 9.475 6.937 222 HA TRP 24 HA TRP 24 6.061 8.599 4.688 223 1HB TRP 24 1HB TRP 24 5.288 8.094 6.924 224 2HB TRP 24 2HB TRP 24 4.978 9.794 7.246 225 HD1 TRP 24 HD1 TRP 24 2.655 10.758 6.523 226 HE1 TRP 24 HE1 TRP 24 0.519 9.702 5.548 227 HE3 TRP 24 HE3 TRP 24 4.526 6.186 5.224 228 HZ2 TRP 24 HZ2 TRP 24 -0.271 7.246 4.393 229 HZ3 TRP 24 HZ3 TRP 24 3.015 4.538 4.187 230 HH2 TRP 24 HH2 TRP 24 0.668 5.064 3.779 231 H GLY 25 H GLY 25 6.258 9.984 2.919 232 1HA GLY 25 1HA GLY 25 4.268 11.719 2.298 233 2HA GLY 25 2HA GLY 25 5.440 12.747 3.107 234 H ASP 26 H ASP 26 7.682 11.079 2.046 235 HA ASP 26 HA ASP 26 8.054 12.544 -0.390 236 1HB ASP 26 1HB ASP 26 9.879 12.040 1.256 237 2HB ASP 26 2HB ASP 26 9.802 10.356 0.746 238 H PHE 27 H PHE 27 6.442 11.775 -1.784 239 HA PHE 27 HA PHE 27 5.701 9.242 -2.428 240 1HB PHE 27 1HB PHE 27 4.772 11.344 -3.405 241 2HB PHE 27 2HB PHE 27 6.172 11.419 -4.470 242 HD1 PHE 27 HD1 PHE 27 5.660 10.840 -6.623 243 HD2 PHE 27 HD2 PHE 27 3.791 8.731 -3.431 244 HE1 PHE 27 HE1 PHE 27 4.490 9.420 -8.253 245 HE2 PHE 27 HE2 PHE 27 2.615 7.306 -5.060 246 HZ PHE 27 HZ PHE 27 2.965 7.650 -7.473 247 H GLY 28 H GLY 28 8.493 10.968 -3.794 248 1HA GLY 28 1HA GLY 28 9.316 9.021 -5.609 249 2HA GLY 28 2HA GLY 28 10.377 10.194 -4.848 250 H ARG 29 H ARG 29 9.909 9.241 -2.147 251 HA ARG 29 HA ARG 29 11.870 7.154 -2.123 252 1HB ARG 29 1HB ARG 29 10.862 9.063 -0.285 253 2HB ARG 29 2HB ARG 29 10.636 7.480 0.440 254 1HG ARG 29 1HG ARG 29 13.265 7.861 -0.778 255 2HG ARG 29 2HG ARG 29 12.920 8.961 0.557 256 1HD ARG 29 1HD ARG 29 14.014 6.910 1.326 257 2HD ARG 29 2HD ARG 29 12.394 7.077 2.000 258 HE ARG 29 HE ARG 29 11.739 5.508 0.104 259 1HH1 ARG 29 1HH1 ARG 29 15.101 3.722 1.353 260 2HH1 ARG 29 2HH1 ARG 29 14.863 5.404 1.681 261 1HH2 ARG 29 1HH2 ARG 29 13.514 2.532 0.222 262 2HH2 ARG 29 2HH2 ARG 29 12.062 3.309 -0.316 263 H MET 30 H MET 30 8.504 7.326 -0.948 264 HA MET 30 HA MET 30 8.243 4.650 -0.236 265 1HB MET 30 1HB MET 30 5.752 5.049 -0.684 266 2HB MET 30 2HB MET 30 6.540 6.060 0.516 267 1HG MET 30 1HG MET 30 6.775 7.829 -1.199 268 2HG MET 30 2HG MET 30 5.858 6.819 -2.313 269 1HE MET 30 1HE MET 30 4.789 7.012 1.649 270 2HE MET 30 2HE MET 30 5.987 8.217 1.174 271 3HE MET 30 3HE MET 30 4.339 8.716 1.559 272 H GLN 31 H GLN 31 7.515 6.205 -3.353 273 HA GLN 31 HA GLN 31 6.533 3.925 -4.650 274 1HB GLN 31 1HB GLN 31 6.453 6.348 -5.447 275 2HB GLN 31 2HB GLN 31 8.099 6.106 -6.019 276 1HG GLN 31 1HG GLN 31 7.314 4.260 -7.439 277 2HG GLN 31 2HG GLN 31 5.665 4.562 -6.893 278 1HE2 GLN 31 1HE2 GLN 31 5.393 6.445 -9.824 279 2HE2 GLN 31 2HE2 GLN 31 5.011 4.963 -9.021 280 H GLN 32 H GLN 32 9.807 5.060 -4.099 281 HA GLN 32 HA GLN 32 11.156 3.387 -5.900 282 1HB GLN 32 1HB GLN 32 12.234 5.275 -4.756 283 2HB GLN 32 2HB GLN 32 12.093 4.430 -3.220 284 1HG GLN 32 1HG GLN 32 13.410 2.586 -4.702 285 2HG GLN 32 2HG GLN 32 14.025 4.085 -5.396 286 1HE2 GLN 32 1HE2 GLN 32 16.257 3.159 -2.639 287 2HE2 GLN 32 2HE2 GLN 32 15.779 2.497 -4.161 288 H ALA 33 H ALA 33 10.128 2.880 -2.556 289 HA ALA 33 HA ALA 33 11.294 0.269 -2.367 290 1HB ALA 33 1HB ALA 33 9.113 1.330 -0.595 291 2HB ALA 33 2HB ALA 33 10.375 0.161 -0.209 292 3HB ALA 33 3HB ALA 33 10.788 1.859 -0.442 293 H TYR 34 H TYR 34 8.045 1.550 -2.972 294 HA TYR 34 HA TYR 34 6.546 -0.751 -2.889 295 1HB TYR 34 1HB TYR 34 5.528 1.428 -3.267 296 2HB TYR 34 2HB TYR 34 6.307 1.553 -4.841 297 HD1 TYR 34 HD1 TYR 34 5.705 -0.259 -6.579 298 HD2 TYR 34 HD2 TYR 34 3.372 0.528 -3.100 299 HE1 TYR 34 HE1 TYR 34 3.778 -1.360 -7.633 300 HE2 TYR 34 HE2 TYR 34 1.447 -0.592 -4.151 301 HH TYR 34 HH TYR 34 1.068 -1.098 -7.244 302 H LYS 35 H LYS 35 8.391 0.507 -5.657 303 HA LYS 35 HA LYS 35 7.779 -1.671 -7.375 304 1HB LYS 35 1HB LYS 35 9.956 0.419 -7.443 305 2HB LYS 35 2HB LYS 35 9.751 -0.792 -8.702 306 1HG LYS 35 1HG LYS 35 7.361 0.792 -7.996 307 2HG LYS 35 2HG LYS 35 8.668 1.644 -8.820 308 1HD LYS 35 1HD LYS 35 8.546 0.241 -10.699 309 2HD LYS 35 2HD LYS 35 7.603 -0.975 -9.833 310 1HE LYS 35 1HE LYS 35 5.682 0.460 -9.789 311 2HE LYS 35 2HE LYS 35 6.614 1.806 -10.448 312 1HZ LYS 35 1HZ LYS 35 5.124 0.064 -11.892 313 2HZ LYS 35 2HZ LYS 35 6.343 1.058 -12.515 314 3HZ LYS 35 3HZ LYS 35 6.691 -0.544 -12.099 315 H GLN 36 H GLN 36 10.302 -1.030 -5.040 316 HA GLN 36 HA GLN 36 12.068 -3.098 -5.818 317 1HB GLN 36 1HB GLN 36 11.758 -1.303 -3.496 318 2HB GLN 36 2HB GLN 36 12.583 -2.819 -3.167 319 1HG GLN 36 1HG GLN 36 13.870 -2.077 -5.400 320 2HG GLN 36 2HG GLN 36 13.444 -0.493 -4.754 321 1HE2 GLN 36 1HE2 GLN 36 16.275 -0.562 -2.784 322 2HE2 GLN 36 2HE2 GLN 36 15.292 0.253 -3.944 323 H GLN 37 H GLN 37 9.618 -2.949 -3.220 324 HA GLN 37 HA GLN 37 9.963 -5.707 -2.554 325 1HB GLN 37 1HB GLN 37 7.924 -3.638 -1.781 326 2HB GLN 37 2HB GLN 37 7.848 -5.299 -1.202 327 1HG GLN 37 1HG GLN 37 8.997 -4.352 0.514 328 2HG GLN 37 2HG GLN 37 10.346 -4.813 -0.523 329 1HE2 GLN 37 1HE2 GLN 37 11.567 -1.602 -0.616 330 2HE2 GLN 37 2HE2 GLN 37 11.834 -3.310 -0.606 331 H SER 38 H SER 38 8.130 -4.021 -4.906 332 HA SER 38 HA SER 38 5.992 -5.850 -5.226 333 1HB SER 38 1HB SER 38 7.074 -3.538 -6.670 334 2HB SER 38 2HB SER 38 6.364 -4.755 -7.731 335 HG SER 38 HG SER 38 4.895 -3.107 -6.873 336 H LEU 39 H LEU 39 9.302 -5.822 -6.293 337 HA LEU 39 HA LEU 39 8.960 -7.838 -8.306 338 1HB LEU 39 1HB LEU 39 11.255 -6.373 -7.110 339 2HB LEU 39 2HB LEU 39 11.588 -7.896 -7.914 340 HG LEU 39 HG LEU 39 10.203 -5.538 -9.195 341 1HD1 LEU 39 1HD1 LEU 39 12.959 -6.533 -9.830 342 2HD1 LEU 39 2HD1 LEU 39 12.208 -4.993 -10.254 343 3HD1 LEU 39 3HD1 LEU 39 12.681 -5.315 -8.585 344 1HD2 LEU 39 1HD2 LEU 39 11.302 -7.357 -11.068 345 2HD2 LEU 39 2HD2 LEU 39 10.342 -8.289 -9.919 346 3HD2 LEU 39 3HD2 LEU 39 9.607 -6.949 -10.800 347 H LEU 40 H LEU 40 9.737 -7.789 -4.895 348 HA LEU 40 HA LEU 40 10.454 -10.609 -4.927 349 1HB LEU 40 1HB LEU 40 10.712 -10.287 -2.435 350 2HB LEU 40 2HB LEU 40 11.818 -9.395 -3.459 351 HG LEU 40 HG LEU 40 9.873 -7.538 -3.108 352 1HD1 LEU 40 1HD1 LEU 40 9.218 -7.543 -0.766 353 2HD1 LEU 40 2HD1 LEU 40 8.606 -8.976 -1.593 354 3HD1 LEU 40 3HD1 LEU 40 10.012 -9.101 -0.537 355 1HD2 LEU 40 1HD2 LEU 40 12.335 -7.328 -2.797 356 2HD2 LEU 40 2HD2 LEU 40 11.386 -6.472 -1.582 357 3HD2 LEU 40 3HD2 LEU 40 12.143 -8.013 -1.184 358 H LEU 41 H LEU 41 7.673 -8.690 -4.515 359 HA LEU 41 HA LEU 41 6.253 -10.773 -3.033 360 1HB LEU 41 1HB LEU 41 5.505 -7.976 -3.867 361 2HB LEU 41 2HB LEU 41 4.333 -9.099 -3.204 362 HG LEU 41 HG LEU 41 6.821 -8.177 -1.762 363 1HD1 LEU 41 1HD1 LEU 41 5.056 -6.417 -2.214 364 2HD1 LEU 41 2HD1 LEU 41 3.987 -7.365 -1.183 365 3HD1 LEU 41 3HD1 LEU 41 5.476 -6.692 -0.524 366 1HD2 LEU 41 1HD2 LEU 41 5.835 -10.444 -1.188 367 2HD2 LEU 41 2HD2 LEU 41 5.979 -9.292 0.139 368 3HD2 LEU 41 3HD2 LEU 41 4.413 -9.569 -0.621 369 H HIS 42 H HIS 42 7.212 -10.713 -5.977 370 HA HIS 42 HA HIS 42 4.729 -10.994 -7.436 371 1HB HIS 42 1HB HIS 42 6.927 -9.976 -8.319 372 2HB HIS 42 2HB HIS 42 7.486 -11.637 -8.469 373 HD1 HIS 42 HD1 HIS 42 7.181 -12.529 -10.733 374 HD2 HIS 42 HD2 HIS 42 4.269 -9.720 -9.804 375 HE1 HIS 42 HE1 HIS 42 5.763 -12.328 -12.796 376 HE2 HIS 42 HE2 HIS 42 3.938 -10.707 -12.171 377 HA PRO 43 HA PRO 43 4.269 -15.333 -6.654 378 1HB PRO 43 1HB PRO 43 2.863 -15.997 -8.916 379 2HB PRO 43 2HB PRO 43 2.150 -15.235 -7.491 380 1HG PRO 43 1HG PRO 43 3.064 -13.983 -10.050 381 2HG PRO 43 2HG PRO 43 1.595 -13.661 -9.109 382 1HD PRO 43 1HD PRO 43 3.714 -12.030 -8.984 383 2HD PRO 43 2HD PRO 43 2.731 -12.368 -7.548 384 H ASP 44 H ASP 44 6.058 -14.074 -9.283 385 HA ASP 44 HA ASP 44 6.787 -16.694 -10.321 386 1HB ASP 44 1HB ASP 44 6.464 -14.490 -11.691 387 2HB ASP 44 2HB ASP 44 8.107 -14.138 -11.166 388 H LYS 45 H LYS 45 8.029 -14.248 -8.187 389 HA LYS 45 HA LYS 45 10.665 -15.506 -8.114 390 1HB LYS 45 1HB LYS 45 9.730 -13.088 -6.567 391 2HB LYS 45 2HB LYS 45 11.387 -13.607 -6.838 392 1HG LYS 45 1HG LYS 45 9.515 -12.711 -9.017 393 2HG LYS 45 2HG LYS 45 10.691 -11.668 -8.216 394 1HD LYS 45 1HD LYS 45 12.506 -12.808 -9.129 395 2HD LYS 45 2HD LYS 45 11.544 -14.242 -9.493 396 1HE LYS 45 1HE LYS 45 10.309 -12.241 -10.945 397 2HE LYS 45 2HE LYS 45 12.025 -11.858 -11.090 398 1HZ LYS 45 1HZ LYS 45 11.359 -13.319 -12.859 399 2HZ LYS 45 2HZ LYS 45 12.404 -14.154 -11.823 400 3HZ LYS 45 3HZ LYS 45 10.739 -14.450 -11.763 401 H GLY 46 H GLY 46 8.317 -16.901 -7.086 402 1HA GLY 46 1HA GLY 46 7.844 -18.278 -5.308 403 2HA GLY 46 2HA GLY 46 9.414 -17.843 -4.650 404 H GLY 47 H GLY 47 6.869 -15.535 -5.386 405 1HA GLY 47 1HA GLY 47 6.784 -14.858 -2.525 406 2HA GLY 47 2HA GLY 47 6.356 -13.776 -3.840 407 H SER 48 H SER 48 4.557 -13.681 -2.029 408 HA SER 48 HA SER 48 2.541 -15.748 -2.395 409 1HB SER 48 1HB SER 48 3.084 -13.647 -0.415 410 2HB SER 48 2HB SER 48 1.375 -13.835 -0.806 411 HG SER 48 HG SER 48 1.793 -16.165 -0.443 412 H HIS 49 H HIS 49 0.466 -15.372 -3.204 413 HA HIS 49 HA HIS 49 0.344 -13.338 -5.255 414 1HB HIS 49 1HB HIS 49 -0.568 -15.863 -5.197 415 2HB HIS 49 2HB HIS 49 -2.025 -15.032 -4.663 416 HD1 HIS 49 HD1 HIS 49 -3.514 -14.875 -6.631 417 HD2 HIS 49 HD2 HIS 49 0.441 -14.068 -7.613 418 HE1 HIS 49 HE1 HIS 49 -3.543 -14.231 -9.063 419 HE2 HIS 49 HE2 HIS 49 -1.148 -13.674 -9.615 420 H ALA 50 H ALA 50 -1.448 -14.172 -2.311 421 HA ALA 50 HA ALA 50 -3.318 -12.059 -2.488 422 1HB ALA 50 1HB ALA 50 -3.051 -14.271 -0.916 423 2HB ALA 50 2HB ALA 50 -2.690 -12.969 0.218 424 3HB ALA 50 3HB ALA 50 -4.219 -12.977 -0.657 425 H LEU 51 H LEU 51 -0.013 -12.115 -1.562 426 HA LEU 51 HA LEU 51 -0.108 -9.846 0.184 427 1HB LEU 51 1HB LEU 51 1.965 -11.608 -0.943 428 2HB LEU 51 2HB LEU 51 2.484 -9.965 -0.625 429 HG LEU 51 HG LEU 51 1.232 -11.800 1.419 430 1HD1 LEU 51 1HD1 LEU 51 3.910 -11.086 2.033 431 2HD1 LEU 51 2HD1 LEU 51 3.235 -12.688 1.738 432 3HD1 LEU 51 3HD1 LEU 51 3.875 -11.741 0.396 433 1HD2 LEU 51 1HD2 LEU 51 2.762 -9.372 2.151 434 2HD2 LEU 51 2HD2 LEU 51 1.139 -9.139 1.500 435 3HD2 LEU 51 3HD2 LEU 51 1.378 -10.125 2.944 436 H MET 52 H MET 52 0.955 -10.349 -3.177 437 HA MET 52 HA MET 52 1.800 -7.802 -3.790 438 1HB MET 52 1HB MET 52 1.517 -10.079 -5.208 439 2HB MET 52 2HB MET 52 0.184 -9.148 -5.875 440 1HG MET 52 1HG MET 52 2.854 -7.861 -5.668 441 2HG MET 52 2HG MET 52 2.582 -9.059 -6.933 442 1HE MET 52 1HE MET 52 1.655 -4.746 -7.089 443 2HE MET 52 2HE MET 52 2.399 -5.638 -5.762 444 3HE MET 52 3HE MET 52 3.163 -5.619 -7.351 445 H GLN 53 H GLN 53 -1.510 -9.081 -4.080 446 HA GLN 53 HA GLN 53 -2.669 -6.670 -4.977 447 1HB GLN 53 1HB GLN 53 -4.823 -7.715 -4.296 448 2HB GLN 53 2HB GLN 53 -3.827 -8.756 -5.305 449 1HG GLN 53 1HG GLN 53 -3.473 -10.259 -3.653 450 2HG GLN 53 2HG GLN 53 -3.515 -9.039 -2.382 451 1HE2 GLN 53 1HE2 GLN 53 -7.032 -9.153 -1.976 452 2HE2 GLN 53 2HE2 GLN 53 -5.659 -8.110 -1.900 453 H GLU 54 H GLU 54 -1.606 -7.680 -1.881 454 HA GLU 54 HA GLU 54 -3.340 -5.990 -0.347 455 1HB GLU 54 1HB GLU 54 -1.637 -8.091 0.227 456 2HB GLU 54 2HB GLU 54 -0.795 -6.705 0.906 457 1HG GLU 54 1HG GLU 54 -2.812 -6.123 2.178 458 2HG GLU 54 2HG GLU 54 -3.616 -7.551 1.525 459 H LEU 55 H LEU 55 -0.239 -5.665 -1.910 460 HA LEU 55 HA LEU 55 0.457 -3.224 -0.558 461 1HB LEU 55 1HB LEU 55 2.254 -4.604 -1.254 462 2HB LEU 55 2HB LEU 55 1.625 -4.730 -2.885 463 HG LEU 55 HG LEU 55 2.035 -2.125 -2.900 464 1HD1 LEU 55 1HD1 LEU 55 3.756 -3.129 -0.665 465 2HD1 LEU 55 2HD1 LEU 55 4.223 -1.734 -1.637 466 3HD1 LEU 55 3HD1 LEU 55 2.722 -1.702 -0.713 467 1HD2 LEU 55 1HD2 LEU 55 4.601 -3.503 -3.112 468 2HD2 LEU 55 2HD2 LEU 55 3.283 -4.309 -3.962 469 3HD2 LEU 55 3HD2 LEU 55 3.675 -2.630 -4.333 470 H ASN 56 H ASN 56 -0.439 -4.022 -3.930 471 HA ASN 56 HA ASN 56 -0.527 -1.392 -4.854 472 1HB ASN 56 1HB ASN 56 -2.157 -2.359 -6.595 473 2HB ASN 56 2HB ASN 56 -0.535 -3.030 -6.524 474 1HD2 ASN 56 1HD2 ASN 56 -1.989 -6.154 -6.566 475 2HD2 ASN 56 2HD2 ASN 56 -0.976 -4.990 -7.337 476 H SER 57 H SER 57 -3.120 -3.385 -3.473 477 HA SER 57 HA SER 57 -5.188 -1.513 -3.814 478 1HB SER 57 1HB SER 57 -5.286 -4.023 -3.103 479 2HB SER 57 2HB SER 57 -5.127 -3.383 -1.467 480 HG SER 57 HG SER 57 -7.096 -2.507 -3.309 481 H LEU 58 H LEU 58 -2.665 -1.795 -1.431 482 HA LEU 58 HA LEU 58 -3.873 0.187 0.316 483 1HB LEU 58 1HB LEU 58 -1.508 -1.610 0.438 484 2HB LEU 58 2HB LEU 58 -1.445 -0.130 1.376 485 HG LEU 58 HG LEU 58 -3.783 -1.992 1.625 486 1HD1 LEU 58 1HD1 LEU 58 -1.025 -2.402 2.577 487 2HD1 LEU 58 2HD1 LEU 58 -2.301 -2.645 3.770 488 3HD1 LEU 58 3HD1 LEU 58 -2.309 -3.570 2.267 489 1HD2 LEU 58 1HD2 LEU 58 -2.854 0.441 2.891 490 2HD2 LEU 58 2HD2 LEU 58 -4.427 -0.347 2.983 491 3HD2 LEU 58 3HD2 LEU 58 -3.129 -0.842 4.068 492 H TRP 59 H TRP 59 -1.506 -0.016 -2.211 493 HA TRP 59 HA TRP 59 -0.399 2.602 -1.654 494 1HB TRP 59 1HB TRP 59 1.164 0.975 -2.421 495 2HB TRP 59 2HB TRP 59 0.117 0.500 -3.750 496 HD1 TRP 59 HD1 TRP 59 0.544 1.604 -6.017 497 HE1 TRP 59 HE1 TRP 59 2.074 3.484 -6.874 498 HE3 TRP 59 HE3 TRP 59 2.251 3.401 -1.527 499 HZ2 TRP 59 HZ2 TRP 59 3.775 5.453 -5.808 500 HZ3 TRP 59 HZ3 TRP 59 3.835 5.281 -1.549 501 HH2 TRP 59 HH2 TRP 59 4.577 6.286 -3.644 502 H GLY 60 H GLY 60 -3.010 1.232 -3.353 503 1HA GLY 60 1HA GLY 60 -3.191 3.234 -5.419 504 2HA GLY 60 2HA GLY 60 -4.400 2.019 -5.034 505 H THR 61 H THR 61 -5.322 2.423 -2.657 506 HA THR 61 HA THR 61 -6.865 4.755 -2.751 507 HB THR 61 HB THR 61 -6.894 2.541 -1.200 508 HG1 THR 61 HG1 THR 61 -8.231 4.910 -1.203 509 1HG2 THR 61 1HG2 THR 61 -5.170 3.043 0.316 510 2HG2 THR 61 2HG2 THR 61 -5.808 4.666 0.592 511 3HG2 THR 61 3HG2 THR 61 -6.705 3.258 1.159 512 H PHE 62 H PHE 62 -4.015 3.915 -0.923 513 HA PHE 62 HA PHE 62 -3.397 6.172 0.496 514 1HB PHE 62 1HB PHE 62 -2.038 4.155 0.565 515 2HB PHE 62 2HB PHE 62 -1.586 4.369 -1.124 516 HD1 PHE 62 HD1 PHE 62 -1.682 7.176 1.239 517 HD2 PHE 62 HD2 PHE 62 0.764 4.267 -0.697 518 HE1 PHE 62 HE1 PHE 62 0.333 8.406 1.939 519 HE2 PHE 62 HE2 PHE 62 2.774 5.497 0.004 520 HZ PHE 62 HZ PHE 62 2.561 7.562 1.314 521 H LYS 63 H LYS 63 -2.488 5.437 -2.822 522 HA LYS 63 HA LYS 63 -1.195 7.772 -3.528 523 1HB LYS 63 1HB LYS 63 -2.112 5.427 -4.771 524 2HB LYS 63 2HB LYS 63 -2.784 6.739 -5.702 525 1HG LYS 63 1HG LYS 63 -0.558 7.666 -6.037 526 2HG LYS 63 2HG LYS 63 0.129 6.377 -5.049 527 1HD LYS 63 1HD LYS 63 -1.151 6.184 -7.761 528 2HD LYS 63 2HD LYS 63 0.471 5.690 -7.273 529 1HE LYS 63 1HE LYS 63 -0.542 3.919 -5.858 530 2HE LYS 63 2HE LYS 63 -2.129 4.389 -6.460 531 1HZ LYS 63 1HZ LYS 63 -1.826 3.132 -8.235 532 2HZ LYS 63 2HZ LYS 63 -0.403 3.951 -8.639 533 3HZ LYS 63 3HZ LYS 63 -0.341 2.609 -7.614 534 H THR 64 H THR 64 -4.672 7.052 -3.545 535 HA THR 64 HA THR 64 -5.649 9.220 -4.934 536 HB THR 64 HB THR 64 -6.807 8.130 -2.360 537 HG1 THR 64 HG1 THR 64 -7.287 7.304 -5.028 538 1HG2 THR 64 1HG2 THR 64 -8.479 9.101 -4.608 539 2HG2 THR 64 2HG2 THR 64 -8.822 9.044 -2.878 540 3HG2 THR 64 3HG2 THR 64 -7.750 10.287 -3.524 541 H GLU 65 H GLU 65 -4.408 9.030 -1.677 542 HA GLU 65 HA GLU 65 -4.907 11.831 -1.134 543 1HB GLU 65 1HB GLU 65 -3.242 9.976 0.553 544 2HB GLU 65 2HB GLU 65 -4.127 11.409 1.057 545 1HG GLU 65 1HG GLU 65 -5.646 9.113 -0.068 546 2HG GLU 65 2HG GLU 65 -5.021 9.002 1.575 547 H VAL 66 H VAL 66 -2.312 9.718 -2.130 548 HA VAL 66 HA VAL 66 -0.124 11.341 -1.625 549 HB VAL 66 HB VAL 66 -0.490 9.379 -3.872 550 1HG1 VAL 66 1HG1 VAL 66 1.577 9.798 -4.599 551 2HG1 VAL 66 2HG1 VAL 66 1.515 11.278 -3.643 552 3HG1 VAL 66 3HG1 VAL 66 2.227 9.819 -2.962 553 1HG2 VAL 66 1HG2 VAL 66 0.931 9.060 -1.231 554 2HG2 VAL 66 2HG2 VAL 66 -0.707 8.493 -1.550 555 3HG2 VAL 66 3HG2 VAL 66 0.650 7.813 -2.444 556 H TYR 67 H TYR 67 -2.363 11.328 -4.342 557 HA TYR 67 HA TYR 67 -0.922 13.125 -5.969 558 1HB TYR 67 1HB TYR 67 -3.435 11.763 -6.070 559 2HB TYR 67 2HB TYR 67 -3.700 13.458 -6.465 560 HD1 TYR 67 HD1 TYR 67 -2.132 10.329 -7.522 561 HD2 TYR 67 HD2 TYR 67 -2.672 14.448 -8.449 562 HE1 TYR 67 HE1 TYR 67 -1.309 9.920 -9.802 563 HE2 TYR 67 HE2 TYR 67 -1.852 14.046 -10.731 564 HH TYR 67 HH TYR 67 -1.614 11.063 -12.102 565 H ASN 68 H ASN 68 -3.254 13.603 -3.383 566 HA ASN 68 HA ASN 68 -3.260 16.476 -3.825 567 1HB ASN 68 1HB ASN 68 -4.979 16.594 -2.138 568 2HB ASN 68 2HB ASN 68 -5.371 15.290 -3.253 569 1HD2 ASN 68 1HD2 ASN 68 -5.991 13.287 -0.507 570 2HD2 ASN 68 2HD2 ASN 68 -6.566 14.026 -1.959 571 H LEU 69 H LEU 69 -1.528 14.193 -1.956 572 HA LEU 69 HA LEU 69 -0.984 15.674 0.355 573 1HB LEU 69 1HB LEU 69 0.577 14.082 0.867 574 2HB LEU 69 2HB LEU 69 -0.374 13.210 -0.316 575 HG LEU 69 HG LEU 69 1.379 13.960 -2.035 576 1HD1 LEU 69 1HD1 LEU 69 3.568 14.062 -0.265 577 2HD1 LEU 69 2HD1 LEU 69 2.992 15.322 -1.357 578 3HD1 LEU 69 3HD1 LEU 69 2.399 15.256 0.301 579 1HD2 LEU 69 1HD2 LEU 69 2.043 11.850 -1.840 580 2HD2 LEU 69 2HD2 LEU 69 2.941 12.230 -0.371 581 3HD2 LEU 69 3HD2 LEU 69 1.240 11.769 -0.271 582 H ARG 70 H ARG 70 0.295 15.923 -2.877 583 HA ARG 70 HA ARG 70 2.531 17.530 -2.160 584 1HB ARG 70 1HB ARG 70 2.737 17.966 -4.593 585 2HB ARG 70 2HB ARG 70 2.646 16.256 -4.199 586 1HG ARG 70 1HG ARG 70 0.104 16.564 -4.671 587 2HG ARG 70 2HG ARG 70 0.639 18.000 -5.547 588 1HD ARG 70 1HD ARG 70 1.786 15.256 -6.007 589 2HD ARG 70 2HD ARG 70 0.422 15.894 -6.919 590 HE ARG 70 HE ARG 70 3.166 16.956 -6.965 591 1HH1 ARG 70 1HH1 ARG 70 0.445 17.533 -9.850 592 2HH1 ARG 70 2HH1 ARG 70 -0.022 16.725 -8.394 593 1HH2 ARG 70 1HH2 ARG 70 2.588 18.270 -10.124 594 2HH2 ARG 70 2HH2 ARG 70 3.764 18.021 -8.877 595 H MET 71 H MET 71 -0.574 18.213 -1.908 596 HA MET 71 HA MET 71 -0.338 21.013 -2.734 597 1HB MET 71 1HB MET 71 -2.831 19.573 -1.822 598 2HB MET 71 2HB MET 71 -2.735 21.139 -2.617 599 1HG MET 71 1HG MET 71 -1.540 19.650 -4.478 600 2HG MET 71 2HG MET 71 -2.568 18.418 -3.750 601 1HE MET 71 1HE MET 71 -5.340 18.319 -4.339 602 2HE MET 71 2HE MET 71 -5.343 18.704 -6.060 603 3HE MET 71 3HE MET 71 -4.009 17.784 -5.364 604 H ASN 72 H ASN 72 -0.519 18.936 0.017 605 HA ASN 72 HA ASN 72 -1.383 20.860 1.922 606 1HB ASN 72 1HB ASN 72 0.057 18.221 2.170 607 2HB ASN 72 2HB ASN 72 -0.347 19.207 3.572 608 1HD2 ASN 72 1HD2 ASN 72 -3.322 17.447 3.764 609 2HD2 ASN 72 2HD2 ASN 72 -1.811 17.870 4.488 610 H LEU 73 H LEU 73 -0.267 22.689 2.207 611 HA LEU 73 HA LEU 73 2.652 22.479 2.558 612 1HB LEU 73 1HB LEU 73 2.629 24.950 1.891 613 2HB LEU 73 2HB LEU 73 2.412 23.754 0.629 614 HG LEU 73 HG LEU 73 -0.120 24.163 0.970 615 1HD1 LEU 73 1HD1 LEU 73 -0.767 25.692 2.436 616 2HD1 LEU 73 2HD1 LEU 73 0.914 25.907 2.931 617 3HD1 LEU 73 3HD1 LEU 73 0.236 26.911 1.651 618 1HD2 LEU 73 1HD2 LEU 73 0.865 26.627 -0.192 619 2HD2 LEU 73 2HD2 LEU 73 1.787 25.226 -0.739 620 3HD2 LEU 73 3HD2 LEU 73 0.037 25.270 -0.955 621 H GLY 74 H GLY 74 -0.005 22.674 4.334 622 1HA GLY 74 1HA GLY 74 1.131 23.477 6.687 623 2HA GLY 74 2HA GLY 74 0.530 24.966 5.976 624 H GLY 75 H GLY 75 -0.633 24.681 8.192 625 1HA GLY 75 1HA GLY 75 -2.910 22.889 8.111 626 2HA GLY 75 2HA GLY 75 -2.508 24.008 9.403 627 H THR 76 H THR 76 -2.250 26.137 7.197 628 HA THR 76 HA THR 76 -5.051 26.921 7.310 629 HB THR 76 HB THR 76 -2.802 28.536 6.133 630 HG1 THR 76 HG1 THR 76 -2.084 28.001 8.167 631 1HG2 THR 76 1HG2 THR 76 -4.844 29.617 5.770 632 2HG2 THR 76 2HG2 THR 76 -5.432 29.223 7.386 633 3HG2 THR 76 3HG2 THR 76 -4.138 30.402 7.182 634 H GLY 77 H GLY 77 -6.353 26.313 5.716 635 1HA GLY 77 1HA GLY 77 -5.343 26.493 2.955 636 2HA GLY 77 2HA GLY 77 -6.178 25.043 3.489 637 H PHE 78 H PHE 78 -8.269 26.020 4.935 638 HA PHE 78 HA PHE 78 -9.630 28.074 3.423 639 1HB PHE 78 1HB PHE 78 -10.157 25.195 3.007 640 2HB PHE 78 2HB PHE 78 -11.586 26.198 3.238 641 HD1 PHE 78 HD1 PHE 78 -11.743 28.324 1.772 642 HD2 PHE 78 HD2 PHE 78 -9.192 25.026 0.918 643 HE1 PHE 78 HE1 PHE 78 -11.630 29.027 -0.583 644 HE2 PHE 78 HE2 PHE 78 -9.073 25.724 -1.439 645 HZ PHE 78 HZ PHE 78 -10.293 27.726 -2.192 646 H GLN 79 H GLN 79 -10.033 29.224 5.247 647 HA GLN 79 HA GLN 79 -12.033 28.127 7.059 648 1HB GLN 79 1HB GLN 79 -9.556 27.873 7.927 649 2HB GLN 79 2HB GLN 79 -9.737 29.580 8.307 650 1HG GLN 79 1HG GLN 79 -11.582 29.133 9.756 651 2HG GLN 79 2HG GLN 79 -11.627 27.443 9.258 652 1HE2 GLN 79 1HE2 GLN 79 -8.720 28.744 11.829 653 2HE2 GLN 79 2HE2 GLN 79 -9.502 29.847 10.754 Start of MODEL 43 1 1H MET 1 1H MET 1 -16.308 10.528 0.398 2 2H MET 1 2H MET 1 -17.275 9.186 -0.055 3 3H MET 1 3H MET 1 -17.410 9.848 1.522 4 HA MET 1 HA MET 1 -14.873 8.791 0.523 5 1HB MET 1 1HB MET 1 -15.923 9.962 2.938 6 2HB MET 1 2HB MET 1 -15.339 8.337 3.273 7 1HG MET 1 1HG MET 1 -13.276 9.110 3.351 8 2HG MET 1 2HG MET 1 -13.397 9.581 1.658 9 1HE MET 1 1HE MET 1 -11.670 12.446 2.506 10 2HE MET 1 2HE MET 1 -11.665 11.915 4.188 11 3HE MET 1 3HE MET 1 -11.470 10.737 2.889 12 H ASP 2 H ASP 2 -14.336 6.611 1.207 13 HA ASP 2 HA ASP 2 -16.285 4.769 2.108 14 1HB ASP 2 1HB ASP 2 -16.360 5.360 -0.690 15 2HB ASP 2 2HB ASP 2 -15.772 3.713 -0.485 16 H ARG 3 H ARG 3 -13.651 4.676 -0.292 17 HA ARG 3 HA ARG 3 -12.381 2.524 1.213 18 1HB ARG 3 1HB ARG 3 -12.697 2.836 -1.446 19 2HB ARG 3 2HB ARG 3 -11.118 3.584 -1.249 20 1HG ARG 3 1HG ARG 3 -10.176 1.585 -1.236 21 2HG ARG 3 2HG ARG 3 -11.095 1.161 0.210 22 1HD ARG 3 1HD ARG 3 -12.994 0.525 -1.288 23 2HD ARG 3 2HD ARG 3 -11.925 0.780 -2.664 24 HE ARG 3 HE ARG 3 -10.628 -1.082 -1.959 25 1HH1 ARG 3 1HH1 ARG 3 -13.555 -2.269 0.508 26 2HH1 ARG 3 2HH1 ARG 3 -13.548 -0.642 -0.079 27 1HH2 ARG 3 1HH2 ARG 3 -11.915 -3.725 -0.110 28 2HH2 ARG 3 2HH2 ARG 3 -10.648 -3.215 -1.177 29 H VAL 4 H VAL 4 -11.602 3.639 3.000 30 HA VAL 4 HA VAL 4 -9.224 5.256 2.448 31 HB VAL 4 HB VAL 4 -9.801 6.782 4.330 32 1HG1 VAL 4 1HG1 VAL 4 -10.891 8.250 2.968 33 2HG1 VAL 4 2HG1 VAL 4 -10.427 7.049 1.762 34 3HG1 VAL 4 3HG1 VAL 4 -12.061 7.049 2.424 35 1HG2 VAL 4 1HG2 VAL 4 -12.661 6.099 4.158 36 2HG2 VAL 4 2HG2 VAL 4 -11.648 4.955 5.033 37 3HG2 VAL 4 3HG2 VAL 4 -11.702 6.644 5.533 38 H LEU 5 H LEU 5 -7.538 4.455 3.465 39 HA LEU 5 HA LEU 5 -7.916 2.528 5.597 40 1HB LEU 5 1HB LEU 5 -5.331 2.401 5.339 41 2HB LEU 5 2HB LEU 5 -6.386 1.645 4.179 42 HG LEU 5 HG LEU 5 -6.044 3.477 2.638 43 1HD1 LEU 5 1HD1 LEU 5 -4.925 4.740 4.975 44 2HD1 LEU 5 2HD1 LEU 5 -3.890 4.874 3.556 45 3HD1 LEU 5 3HD1 LEU 5 -5.556 5.447 3.488 46 1HD2 LEU 5 1HD2 LEU 5 -4.230 1.522 3.333 47 2HD2 LEU 5 2HD2 LEU 5 -4.234 2.469 1.845 48 3HD2 LEU 5 3HD2 LEU 5 -3.253 2.987 3.219 49 H SER 6 H SER 6 -7.089 2.623 7.623 50 HA SER 6 HA SER 6 -6.671 5.311 8.654 51 1HB SER 6 1HB SER 6 -7.020 4.325 10.847 52 2HB SER 6 2HB SER 6 -8.276 3.742 9.754 53 HG SER 6 HG SER 6 -6.972 1.839 9.476 54 H ARG 7 H ARG 7 -5.104 5.087 10.771 55 HA ARG 7 HA ARG 7 -2.508 5.122 9.780 56 1HB ARG 7 1HB ARG 7 -3.418 4.658 12.623 57 2HB ARG 7 2HB ARG 7 -1.789 5.115 12.142 58 1HG ARG 7 1HG ARG 7 -3.851 6.901 11.110 59 2HG ARG 7 2HG ARG 7 -3.784 6.835 12.873 60 1HD ARG 7 1HD ARG 7 -1.121 6.971 12.027 61 2HD ARG 7 2HD ARG 7 -1.992 8.116 11.010 62 HE ARG 7 HE ARG 7 -1.492 8.330 13.838 63 1HH1 ARG 7 1HH1 ARG 7 -4.007 10.835 11.982 64 2HH1 ARG 7 2HH1 ARG 7 -3.513 9.377 11.191 65 1HH2 ARG 7 1HH2 ARG 7 -3.232 11.329 14.080 66 2HH2 ARG 7 2HH2 ARG 7 -2.148 10.243 14.883 67 H ALA 8 H ALA 8 -4.309 2.520 11.327 68 HA ALA 8 HA ALA 8 -2.152 0.725 11.614 69 1HB ALA 8 1HB ALA 8 -5.054 -0.006 11.294 70 2HB ALA 8 2HB ALA 8 -3.790 -0.948 12.083 71 3HB ALA 8 3HB ALA 8 -4.339 0.568 12.800 72 H ASP 9 H ASP 9 -4.305 1.414 8.928 73 HA ASP 9 HA ASP 9 -3.373 -0.883 7.430 74 1HB ASP 9 1HB ASP 9 -5.093 1.403 6.485 75 2HB ASP 9 2HB ASP 9 -4.913 -0.166 5.718 76 H LYS 10 H LYS 10 -3.144 2.676 7.103 77 HA LYS 10 HA LYS 10 -1.504 2.670 4.835 78 1HB LYS 10 1HB LYS 10 -0.846 4.954 5.494 79 2HB LYS 10 2HB LYS 10 -2.583 4.705 5.603 80 1HG LYS 10 1HG LYS 10 -2.624 4.996 7.829 81 2HG LYS 10 2HG LYS 10 -1.067 4.208 8.065 82 1HD LYS 10 1HD LYS 10 -1.354 6.951 6.865 83 2HD LYS 10 2HD LYS 10 -1.131 6.669 8.593 84 1HE LYS 10 1HE LYS 10 0.750 5.931 6.361 85 2HE LYS 10 2HE LYS 10 1.009 7.138 7.621 86 1HZ LYS 10 1HZ LYS 10 2.111 5.454 8.587 87 2HZ LYS 10 2HZ LYS 10 0.573 4.963 9.090 88 3HZ LYS 10 3HZ LYS 10 1.283 4.252 7.729 89 H GLU 11 H GLU 11 -0.749 2.275 8.237 90 HA GLU 11 HA GLU 11 2.080 2.481 7.937 91 1HB GLU 11 1HB GLU 11 2.247 1.746 10.183 92 2HB GLU 11 2HB GLU 11 0.789 2.723 10.113 93 1HG GLU 11 1HG GLU 11 -0.599 0.797 10.158 94 2HG GLU 11 2HG GLU 11 0.779 -0.277 9.933 95 H ARG 12 H ARG 12 -0.276 -0.060 7.610 96 HA ARG 12 HA ARG 12 1.440 -2.293 7.636 97 1HB ARG 12 1HB ARG 12 -1.040 -2.417 7.757 98 2HB ARG 12 2HB ARG 12 -1.127 -1.900 6.081 99 1HG ARG 12 1HG ARG 12 0.065 -3.920 5.397 100 2HG ARG 12 2HG ARG 12 0.129 -4.443 7.081 101 1HD ARG 12 1HD ARG 12 -2.443 -4.141 7.005 102 2HD ARG 12 2HD ARG 12 -2.233 -4.209 5.256 103 HE ARG 12 HE ARG 12 -1.013 -6.415 5.837 104 1HH1 ARG 12 1HH1 ARG 12 -4.426 -6.726 7.913 105 2HH1 ARG 12 2HH1 ARG 12 -3.846 -5.161 7.462 106 1HH2 ARG 12 1HH2 ARG 12 -3.263 -8.599 7.332 107 2HH2 ARG 12 2HH2 ARG 12 -1.787 -8.469 6.434 108 H LEU 13 H LEU 13 0.541 0.039 5.196 109 HA LEU 13 HA LEU 13 1.698 -1.265 2.957 110 1HB LEU 13 1HB LEU 13 0.048 0.454 2.630 111 2HB LEU 13 2HB LEU 13 0.995 1.610 3.539 112 HG LEU 13 HG LEU 13 2.741 1.060 1.562 113 1HD1 LEU 13 1HD1 LEU 13 1.796 0.519 -0.442 114 2HD1 LEU 13 2HD1 LEU 13 0.752 -0.407 0.634 115 3HD1 LEU 13 3HD1 LEU 13 0.212 1.150 0.007 116 1HD2 LEU 13 1HD2 LEU 13 0.551 3.017 1.016 117 2HD2 LEU 13 2HD2 LEU 13 1.590 3.229 2.428 118 3HD2 LEU 13 3HD2 LEU 13 2.296 3.194 0.812 119 H LEU 14 H LEU 14 2.850 0.834 5.481 120 HA LEU 14 HA LEU 14 5.360 1.476 4.282 121 1HB LEU 14 1HB LEU 14 4.116 1.802 6.971 122 2HB LEU 14 2HB LEU 14 5.854 1.976 6.832 123 HG LEU 14 HG LEU 14 3.741 3.631 5.461 124 1HD1 LEU 14 1HD1 LEU 14 4.007 5.062 7.130 125 2HD1 LEU 14 2HD1 LEU 14 5.016 3.869 7.947 126 3HD1 LEU 14 3HD1 LEU 14 5.755 5.077 6.897 127 1HD2 LEU 14 1HD2 LEU 14 5.205 3.958 3.819 128 2HD2 LEU 14 2HD2 LEU 14 6.221 4.790 4.997 129 3HD2 LEU 14 3HD2 LEU 14 6.469 3.073 4.674 130 H GLU 15 H GLU 15 4.254 -0.919 6.643 131 HA GLU 15 HA GLU 15 6.682 -1.962 7.460 132 1HB GLU 15 1HB GLU 15 3.936 -2.727 7.594 133 2HB GLU 15 2HB GLU 15 4.877 -4.140 7.132 134 1HG GLU 15 1HG GLU 15 6.335 -3.781 9.077 135 2HG GLU 15 2HG GLU 15 5.334 -2.410 9.552 136 H LEU 16 H LEU 16 4.747 -2.827 4.621 137 HA LEU 16 HA LEU 16 6.646 -4.780 3.707 138 1HB LEU 16 1HB LEU 16 4.183 -3.535 2.517 139 2HB LEU 16 2HB LEU 16 5.207 -4.606 1.582 140 HG LEU 16 HG LEU 16 4.668 -5.958 3.997 141 1HD1 LEU 16 1HD1 LEU 16 2.660 -5.329 4.688 142 2HD1 LEU 16 2HD1 LEU 16 2.551 -4.141 3.390 143 3HD1 LEU 16 3HD1 LEU 16 1.993 -5.791 3.123 144 1HD2 LEU 16 1HD2 LEU 16 3.045 -7.106 2.108 145 2HD2 LEU 16 2HD2 LEU 16 4.257 -6.282 1.128 146 3HD2 LEU 16 3HD2 LEU 16 4.757 -7.458 2.345 147 H LEU 17 H LEU 17 6.348 -1.387 3.481 148 HA LEU 17 HA LEU 17 7.881 -1.154 1.030 149 1HB LEU 17 1HB LEU 17 6.389 0.682 2.803 150 2HB LEU 17 2HB LEU 17 7.750 1.367 1.941 151 HG LEU 17 HG LEU 17 5.419 1.570 0.895 152 1HD1 LEU 17 1HD1 LEU 17 7.339 2.228 -0.318 153 2HD1 LEU 17 2HD1 LEU 17 7.815 0.554 -0.605 154 3HD1 LEU 17 3HD1 LEU 17 6.378 1.210 -1.389 155 1HD2 LEU 17 1HD2 LEU 17 5.668 -1.295 0.968 156 2HD2 LEU 17 2HD2 LEU 17 4.291 -0.300 0.505 157 3HD2 LEU 17 3HD2 LEU 17 5.508 -0.732 -0.694 158 H LYS 18 H LYS 18 8.613 -1.588 4.285 159 HA LYS 18 HA LYS 18 10.515 -1.307 5.521 160 1HB LYS 18 1HB LYS 18 11.336 -1.924 2.801 161 2HB LYS 18 2HB LYS 18 12.542 -0.972 3.650 162 1HG LYS 18 1HG LYS 18 13.097 -2.663 5.026 163 2HG LYS 18 2HG LYS 18 11.432 -3.230 5.167 164 1HD LYS 18 1HD LYS 18 11.583 -4.568 3.310 165 2HD LYS 18 2HD LYS 18 12.835 -3.573 2.563 166 1HE LYS 18 1HE LYS 18 13.979 -4.542 4.917 167 2HE LYS 18 2HE LYS 18 13.096 -5.908 4.239 168 1HZ LYS 18 1HZ LYS 18 15.420 -4.492 3.192 169 2HZ LYS 18 2HZ LYS 18 15.028 -6.134 3.112 170 3HZ LYS 18 3HZ LYS 18 14.288 -5.039 2.059 171 H LEU 19 H LEU 19 9.033 1.032 4.328 172 HA LEU 19 HA LEU 19 11.095 3.106 4.485 173 1HB LEU 19 1HB LEU 19 9.722 2.953 2.422 174 2HB LEU 19 2HB LEU 19 8.283 3.212 3.386 175 HG LEU 19 HG LEU 19 10.281 5.319 3.727 176 1HD1 LEU 19 1HD1 LEU 19 10.858 5.504 1.571 177 2HD1 LEU 19 2HD1 LEU 19 9.578 4.413 1.038 178 3HD1 LEU 19 3HD1 LEU 19 9.221 6.116 1.328 179 1HD2 LEU 19 1HD2 LEU 19 7.357 4.990 3.375 180 2HD2 LEU 19 2HD2 LEU 19 8.255 5.924 4.572 181 3HD2 LEU 19 3HD2 LEU 19 8.058 6.545 2.931 182 HA PRO 20 HA PRO 20 9.524 3.581 8.707 183 1HB PRO 20 1HB PRO 20 11.069 6.110 8.330 184 2HB PRO 20 2HB PRO 20 11.073 4.981 9.691 185 1HG PRO 20 1HG PRO 20 13.066 4.984 7.932 186 2HG PRO 20 2HG PRO 20 12.445 3.463 8.598 187 1HD PRO 20 1HD PRO 20 12.053 4.653 5.899 188 2HD PRO 20 2HD PRO 20 12.151 2.947 6.378 189 H ARG 21 H ARG 21 8.309 5.191 9.886 190 HA ARG 21 HA ARG 21 6.363 6.516 8.207 191 1HB ARG 21 1HB ARG 21 6.394 5.378 10.818 192 2HB ARG 21 2HB ARG 21 5.937 7.068 10.976 193 1HG ARG 21 1HG ARG 21 4.262 6.574 9.089 194 2HG ARG 21 2HG ARG 21 4.556 4.879 9.478 195 1HD ARG 21 1HD ARG 21 2.775 5.298 10.844 196 2HD ARG 21 2HD ARG 21 4.099 5.702 11.932 197 HE ARG 21 HE ARG 21 2.403 7.636 10.500 198 1HH1 ARG 21 1HH1 ARG 21 4.480 8.437 13.831 199 2HH1 ARG 21 2HH1 ARG 21 4.677 6.903 13.057 200 1HH2 ARG 21 1HH2 ARG 21 3.053 9.990 12.966 201 2HH2 ARG 21 2HH2 ARG 21 2.152 9.646 11.528 202 H GLN 22 H GLN 22 9.316 7.379 9.371 203 HA GLN 22 HA GLN 22 8.749 10.041 10.284 204 1HB GLN 22 1HB GLN 22 10.731 8.583 10.947 205 2HB GLN 22 2HB GLN 22 11.419 8.978 9.378 206 1HG GLN 22 1HG GLN 22 12.129 10.952 10.089 207 2HG GLN 22 2HG GLN 22 10.551 11.353 10.767 208 1HE2 GLN 22 1HE2 GLN 22 11.337 10.086 14.014 209 2HE2 GLN 22 2HE2 GLN 22 10.054 10.175 12.859 210 H LEU 23 H LEU 23 9.683 8.532 7.291 211 HA LEU 23 HA LEU 23 9.696 11.161 5.985 212 1HB LEU 23 1HB LEU 23 11.114 10.293 4.295 213 2HB LEU 23 2HB LEU 23 11.792 9.820 5.834 214 HG LEU 23 HG LEU 23 12.078 7.981 4.375 215 1HD1 LEU 23 1HD1 LEU 23 9.625 7.296 5.965 216 2HD1 LEU 23 2HD1 LEU 23 10.884 6.192 5.416 217 3HD1 LEU 23 3HD1 LEU 23 11.246 7.408 6.648 218 1HD2 LEU 23 1HD2 LEU 23 9.176 7.782 3.781 219 2HD2 LEU 23 2HD2 LEU 23 10.195 8.873 2.842 220 3HD2 LEU 23 3HD2 LEU 23 10.554 7.149 2.886 221 H TRP 24 H TRP 24 7.425 9.316 6.713 222 HA TRP 24 HA TRP 24 6.248 8.084 4.537 223 1HB TRP 24 1HB TRP 24 5.316 7.791 6.705 224 2HB TRP 24 2HB TRP 24 5.083 9.518 6.920 225 HD1 TRP 24 HD1 TRP 24 2.754 10.452 6.345 226 HE1 TRP 24 HE1 TRP 24 0.609 9.478 5.311 227 HE3 TRP 24 HE3 TRP 24 4.579 5.941 4.774 228 HZ2 TRP 24 HZ2 TRP 24 -0.207 7.107 4.013 229 HZ3 TRP 24 HZ3 TRP 24 3.045 4.374 3.643 230 HH2 TRP 24 HH2 TRP 24 0.706 4.954 3.268 231 H GLY 25 H GLY 25 6.767 11.450 5.038 232 1HA GLY 25 1HA GLY 25 4.628 12.331 3.315 233 2HA GLY 25 2HA GLY 25 5.895 13.331 4.004 234 H ASP 26 H ASP 26 7.769 11.115 2.777 235 HA ASP 26 HA ASP 26 8.262 12.607 0.357 236 1HB ASP 26 1HB ASP 26 10.016 11.604 1.973 237 2HB ASP 26 2HB ASP 26 9.699 10.084 1.144 238 H PHE 27 H PHE 27 7.363 12.176 -1.540 239 HA PHE 27 HA PHE 27 5.883 9.747 -1.978 240 1HB PHE 27 1HB PHE 27 5.038 11.883 -2.822 241 2HB PHE 27 2HB PHE 27 6.471 12.069 -3.825 242 HD1 PHE 27 HD1 PHE 27 5.839 11.928 -6.029 243 HD2 PHE 27 HD2 PHE 27 4.205 9.168 -3.235 244 HE1 PHE 27 HE1 PHE 27 4.711 10.741 -7.867 245 HE2 PHE 27 HE2 PHE 27 3.077 7.974 -5.066 246 HZ PHE 27 HZ PHE 27 3.330 8.760 -7.387 247 H GLY 28 H GLY 28 8.853 11.194 -3.247 248 1HA GLY 28 1HA GLY 28 9.354 9.252 -5.232 249 2HA GLY 28 2HA GLY 28 10.552 10.319 -4.517 250 H ARG 29 H ARG 29 9.994 9.278 -1.796 251 HA ARG 29 HA ARG 29 11.848 7.084 -1.908 252 1HB ARG 29 1HB ARG 29 10.955 8.971 0.056 253 2HB ARG 29 2HB ARG 29 10.807 7.348 0.714 254 1HG ARG 29 1HG ARG 29 13.003 7.161 0.987 255 2HG ARG 29 2HG ARG 29 13.331 7.723 -0.654 256 1HD ARG 29 1HD ARG 29 12.618 10.046 0.459 257 2HD ARG 29 2HD ARG 29 13.233 9.231 1.895 258 HE ARG 29 HE ARG 29 14.759 10.164 -0.373 259 1HH1 ARG 29 1HH1 ARG 29 16.433 7.972 2.533 260 2HH1 ARG 29 2HH1 ARG 29 14.708 8.066 2.418 261 1HH2 ARG 29 1HH2 ARG 29 17.750 9.093 1.039 262 2HH2 ARG 29 2HH2 ARG 29 17.030 10.042 -0.218 263 H MET 30 H MET 30 8.438 7.480 -0.988 264 HA MET 30 HA MET 30 8.024 4.834 -0.139 265 1HB MET 30 1HB MET 30 5.604 5.309 -0.535 266 2HB MET 30 2HB MET 30 6.421 6.512 0.452 267 1HG MET 30 1HG MET 30 6.548 8.023 -1.415 268 2HG MET 30 2HG MET 30 5.859 6.805 -2.488 269 1HE MET 30 1HE MET 30 4.404 7.507 1.281 270 2HE MET 30 2HE MET 30 5.417 8.822 0.681 271 3HE MET 30 3HE MET 30 3.678 9.056 0.854 272 H GLN 31 H GLN 31 7.538 6.343 -3.327 273 HA GLN 31 HA GLN 31 6.525 4.009 -4.561 274 1HB GLN 31 1HB GLN 31 6.577 6.537 -5.347 275 2HB GLN 31 2HB GLN 31 8.051 6.018 -6.156 276 1HG GLN 31 1HG GLN 31 6.776 4.234 -7.275 277 2HG GLN 31 2HG GLN 31 5.307 4.832 -6.506 278 1HE2 GLN 31 1HE2 GLN 31 6.903 6.697 -9.736 279 2HE2 GLN 31 2HE2 GLN 31 7.746 5.440 -8.904 280 H GLN 32 H GLN 32 9.770 5.220 -4.024 281 HA GLN 32 HA GLN 32 11.153 3.542 -5.799 282 1HB GLN 32 1HB GLN 32 11.924 5.551 -4.227 283 2HB GLN 32 2HB GLN 32 12.392 4.220 -3.179 284 1HG GLN 32 1HG GLN 32 14.315 4.305 -4.311 285 2HG GLN 32 2HG GLN 32 13.429 3.397 -5.536 286 1HE2 GLN 32 1HE2 GLN 32 12.830 6.442 -7.476 287 2HE2 GLN 32 2HE2 GLN 32 11.890 5.187 -6.750 288 H ALA 33 H ALA 33 10.160 3.088 -2.435 289 HA ALA 33 HA ALA 33 11.371 0.507 -2.189 290 1HB ALA 33 1HB ALA 33 9.537 2.153 -0.507 291 2HB ALA 33 2HB ALA 33 9.758 0.443 -0.139 292 3HB ALA 33 3HB ALA 33 11.145 1.530 -0.139 293 H TYR 34 H TYR 34 8.141 1.709 -2.945 294 HA TYR 34 HA TYR 34 6.691 -0.647 -2.774 295 1HB TYR 34 1HB TYR 34 5.675 1.570 -3.180 296 2HB TYR 34 2HB TYR 34 6.340 1.566 -4.811 297 HD1 TYR 34 HD1 TYR 34 5.658 -0.488 -6.293 298 HD2 TYR 34 HD2 TYR 34 3.501 0.797 -2.848 299 HE1 TYR 34 HE1 TYR 34 3.662 -1.666 -7.110 300 HE2 TYR 34 HE2 TYR 34 1.513 -0.394 -3.662 301 HH TYR 34 HH TYR 34 1.293 -1.682 -6.842 302 H LYS 35 H LYS 35 8.564 0.628 -5.500 303 HA LYS 35 HA LYS 35 7.968 -1.570 -7.221 304 1HB LYS 35 1HB LYS 35 9.252 0.953 -7.442 305 2HB LYS 35 2HB LYS 35 10.392 -0.265 -7.998 306 1HG LYS 35 1HG LYS 35 8.069 -1.040 -9.218 307 2HG LYS 35 2HG LYS 35 7.944 0.720 -9.234 308 1HD LYS 35 1HD LYS 35 10.124 0.884 -10.304 309 2HD LYS 35 2HD LYS 35 10.306 -0.870 -10.235 310 1HE LYS 35 1HE LYS 35 9.601 -0.067 -12.460 311 2HE LYS 35 2HE LYS 35 8.434 -1.167 -11.728 312 1HZ LYS 35 1HZ LYS 35 7.324 0.713 -12.731 313 2HZ LYS 35 2HZ LYS 35 7.121 0.760 -11.052 314 3HZ LYS 35 3HZ LYS 35 8.230 1.795 -11.799 315 H GLN 36 H GLN 36 10.415 -0.899 -4.841 316 HA GLN 36 HA GLN 36 12.319 -2.815 -5.676 317 1HB GLN 36 1HB GLN 36 11.793 -1.324 -3.137 318 2HB GLN 36 2HB GLN 36 12.934 -2.661 -3.121 319 1HG GLN 36 1HG GLN 36 13.242 -0.596 -5.229 320 2HG GLN 36 2HG GLN 36 13.688 -0.174 -3.577 321 1HE2 GLN 36 1HE2 GLN 36 15.839 -2.976 -5.638 322 2HE2 GLN 36 2HE2 GLN 36 14.215 -2.603 -6.092 323 H GLN 37 H GLN 37 9.675 -2.945 -3.308 324 HA GLN 37 HA GLN 37 10.177 -5.702 -2.667 325 1HB GLN 37 1HB GLN 37 7.724 -4.053 -2.063 326 2HB GLN 37 2HB GLN 37 8.231 -5.531 -1.254 327 1HG GLN 37 1HG GLN 37 10.062 -3.185 -1.259 328 2HG GLN 37 2HG GLN 37 8.668 -3.185 -0.182 329 1HE2 GLN 37 1HE2 GLN 37 11.951 -4.998 0.967 330 2HE2 GLN 37 2HE2 GLN 37 11.823 -3.764 -0.235 331 H SER 38 H SER 38 8.432 -4.036 -5.099 332 HA SER 38 HA SER 38 6.411 -5.939 -5.627 333 1HB SER 38 1HB SER 38 7.621 -3.647 -7.091 334 2HB SER 38 2HB SER 38 6.728 -4.829 -8.044 335 HG SER 38 HG SER 38 5.338 -4.200 -5.828 336 H LEU 39 H LEU 39 9.786 -5.752 -6.449 337 HA LEU 39 HA LEU 39 9.697 -7.708 -8.536 338 1HB LEU 39 1HB LEU 39 11.700 -6.039 -7.243 339 2HB LEU 39 2HB LEU 39 12.302 -7.652 -7.572 340 HG LEU 39 HG LEU 39 10.956 -6.739 -9.910 341 1HD1 LEU 39 1HD1 LEU 39 12.683 -4.832 -10.323 342 2HD1 LEU 39 2HD1 LEU 39 11.174 -4.491 -9.477 343 3HD1 LEU 39 3HD1 LEU 39 12.669 -4.701 -8.565 344 1HD2 LEU 39 1HD2 LEU 39 13.788 -6.650 -10.192 345 2HD2 LEU 39 2HD2 LEU 39 13.371 -8.006 -9.146 346 3HD2 LEU 39 3HD2 LEU 39 12.659 -7.881 -10.754 347 H LEU 40 H LEU 40 10.182 -7.772 -5.065 348 HA LEU 40 HA LEU 40 10.933 -10.581 -5.128 349 1HB LEU 40 1HB LEU 40 11.072 -10.354 -2.652 350 2HB LEU 40 2HB LEU 40 12.138 -9.288 -3.544 351 HG LEU 40 HG LEU 40 10.104 -7.597 -3.209 352 1HD1 LEU 40 1HD1 LEU 40 9.972 -9.031 -0.602 353 2HD1 LEU 40 2HD1 LEU 40 8.821 -7.915 -1.334 354 3HD1 LEU 40 3HD1 LEU 40 8.949 -9.569 -1.933 355 1HD2 LEU 40 1HD2 LEU 40 11.979 -6.692 -2.376 356 2HD2 LEU 40 2HD2 LEU 40 11.365 -7.261 -0.822 357 3HD2 LEU 40 3HD2 LEU 40 12.541 -8.227 -1.713 358 H LEU 41 H LEU 41 8.106 -8.686 -4.801 359 HA LEU 41 HA LEU 41 6.619 -10.840 -3.499 360 1HB LEU 41 1HB LEU 41 5.948 -7.999 -4.227 361 2HB LEU 41 2HB LEU 41 4.706 -9.140 -3.748 362 HG LEU 41 HG LEU 41 7.068 -8.704 -1.965 363 1HD1 LEU 41 1HD1 LEU 41 5.102 -7.057 -0.952 364 2HD1 LEU 41 2HD1 LEU 41 6.583 -6.540 -1.756 365 3HD1 LEU 41 3HD1 LEU 41 5.089 -6.699 -2.679 366 1HD2 LEU 41 1HD2 LEU 41 4.816 -8.938 -0.439 367 2HD2 LEU 41 2HD2 LEU 41 4.426 -9.951 -1.828 368 3HD2 LEU 41 3HD2 LEU 41 5.884 -10.269 -0.887 369 H HIS 42 H HIS 42 7.722 -10.668 -6.399 370 HA HIS 42 HA HIS 42 5.283 -10.910 -7.946 371 1HB HIS 42 1HB HIS 42 7.316 -9.744 -8.828 372 2HB HIS 42 2HB HIS 42 8.147 -11.296 -8.833 373 HD1 HIS 42 HD1 HIS 42 4.910 -9.905 -10.304 374 HD2 HIS 42 HD2 HIS 42 8.045 -12.461 -11.254 375 HE1 HIS 42 HE1 HIS 42 4.455 -10.685 -12.651 376 HE2 HIS 42 HE2 HIS 42 6.326 -12.287 -13.178 377 HA PRO 43 HA PRO 43 4.633 -15.260 -7.407 378 1HB PRO 43 1HB PRO 43 4.173 -15.117 -10.359 379 2HB PRO 43 2HB PRO 43 3.196 -15.891 -9.106 380 1HG PRO 43 1HG PRO 43 2.484 -13.539 -10.146 381 2HG PRO 43 2HG PRO 43 2.247 -13.894 -8.425 382 1HD PRO 43 1HD PRO 43 4.231 -12.119 -9.729 383 2HD PRO 43 2HD PRO 43 3.522 -12.024 -8.108 384 H ASP 44 H ASP 44 6.757 -13.998 -9.914 385 HA ASP 44 HA ASP 44 7.967 -16.571 -10.429 386 1HB ASP 44 1HB ASP 44 7.704 -14.364 -11.956 387 2HB ASP 44 2HB ASP 44 9.332 -14.107 -11.339 388 H LYS 45 H LYS 45 8.502 -13.923 -8.286 389 HA LYS 45 HA LYS 45 11.191 -14.918 -7.644 390 1HB LYS 45 1HB LYS 45 9.878 -12.268 -7.489 391 2HB LYS 45 2HB LYS 45 10.995 -12.656 -6.188 392 1HG LYS 45 1HG LYS 45 12.163 -11.467 -7.913 393 2HG LYS 45 2HG LYS 45 12.737 -13.133 -7.867 394 1HD LYS 45 1HD LYS 45 12.343 -13.213 -10.062 395 2HD LYS 45 2HD LYS 45 10.624 -13.192 -9.666 396 1HE LYS 45 1HE LYS 45 10.421 -11.231 -10.686 397 2HE LYS 45 2HE LYS 45 11.561 -10.521 -9.543 398 1HZ LYS 45 1HZ LYS 45 13.216 -10.572 -11.039 399 2HZ LYS 45 2HZ LYS 45 12.756 -12.068 -11.682 400 3HZ LYS 45 3HZ LYS 45 11.968 -10.656 -12.179 401 H GLY 46 H GLY 46 8.738 -16.258 -6.825 402 1HA GLY 46 1HA GLY 46 8.012 -17.376 -4.951 403 2HA GLY 46 2HA GLY 46 9.397 -16.708 -4.099 404 H GLY 47 H GLY 47 6.880 -14.827 -5.691 405 1HA GLY 47 1HA GLY 47 6.276 -13.598 -3.095 406 2HA GLY 47 2HA GLY 47 5.913 -12.908 -4.670 407 H SER 48 H SER 48 4.149 -13.240 -2.388 408 HA SER 48 HA SER 48 2.313 -15.350 -3.182 409 1HB SER 48 1HB SER 48 2.602 -13.553 -0.828 410 2HB SER 48 2HB SER 48 0.974 -14.108 -1.219 411 HG SER 48 HG SER 48 2.454 -15.438 0.224 412 H HIS 49 H HIS 49 0.038 -14.896 -3.583 413 HA HIS 49 HA HIS 49 -0.274 -12.738 -5.442 414 1HB HIS 49 1HB HIS 49 -1.445 -15.196 -5.159 415 2HB HIS 49 2HB HIS 49 -2.714 -14.130 -4.566 416 HD1 HIS 49 HD1 HIS 49 -0.505 -14.501 -7.636 417 HD2 HIS 49 HD2 HIS 49 -4.233 -13.036 -6.530 418 HE1 HIS 49 HE1 HIS 49 -1.621 -13.812 -9.782 419 HE2 HIS 49 HE2 HIS 49 -3.892 -12.970 -9.093 420 H ALA 50 H ALA 50 -2.180 -13.612 -2.551 421 HA ALA 50 HA ALA 50 -3.623 -11.285 -2.295 422 1HB ALA 50 1HB ALA 50 -4.418 -12.701 -0.752 423 2HB ALA 50 2HB ALA 50 -2.851 -13.475 -0.515 424 3HB ALA 50 3HB ALA 50 -3.221 -11.964 0.315 425 H LEU 51 H LEU 51 -0.315 -11.920 -1.292 426 HA LEU 51 HA LEU 51 0.038 -9.605 0.286 427 1HB LEU 51 1HB LEU 51 1.763 -11.667 -0.922 428 2HB LEU 51 2HB LEU 51 2.540 -10.121 -0.636 429 HG LEU 51 HG LEU 51 1.250 -10.575 1.750 430 1HD1 LEU 51 1HD1 LEU 51 1.234 -12.758 2.344 431 2HD1 LEU 51 2HD1 LEU 51 0.977 -12.973 0.612 432 3HD1 LEU 51 3HD1 LEU 51 2.592 -13.171 1.296 433 1HD2 LEU 51 1HD2 LEU 51 3.771 -11.601 2.152 434 2HD2 LEU 51 2HD2 LEU 51 3.970 -10.603 0.711 435 3HD2 LEU 51 3HD2 LEU 51 3.329 -9.894 2.193 436 H MET 52 H MET 52 0.894 -10.277 -3.106 437 HA MET 52 HA MET 52 1.924 -7.710 -3.644 438 1HB MET 52 1HB MET 52 2.364 -9.731 -5.021 439 2HB MET 52 2HB MET 52 0.708 -9.655 -5.605 440 1HG MET 52 1HG MET 52 2.286 -8.711 -7.205 441 2HG MET 52 2HG MET 52 1.134 -7.507 -6.630 442 1HE MET 52 1HE MET 52 3.417 -4.730 -6.349 443 2HE MET 52 2HE MET 52 1.955 -5.482 -6.985 444 3HE MET 52 3HE MET 52 2.084 -5.123 -5.263 445 H GLN 53 H GLN 53 -1.317 -9.075 -3.977 446 HA GLN 53 HA GLN 53 -2.403 -6.782 -5.287 447 1HB GLN 53 1HB GLN 53 -3.941 -8.876 -3.752 448 2HB GLN 53 2HB GLN 53 -4.536 -7.840 -5.042 449 1HG GLN 53 1HG GLN 53 -2.384 -9.899 -5.434 450 2HG GLN 53 2HG GLN 53 -4.099 -10.221 -5.678 451 1HE2 GLN 53 1HE2 GLN 53 -4.322 -8.525 -8.726 452 2HE2 GLN 53 2HE2 GLN 53 -5.181 -9.189 -7.382 453 H GLU 54 H GLU 54 -2.084 -7.815 -1.951 454 HA GLU 54 HA GLU 54 -3.882 -5.989 -0.789 455 1HB GLU 54 1HB GLU 54 -2.767 -7.990 0.318 456 2HB GLU 54 2HB GLU 54 -1.342 -6.978 0.502 457 1HG GLU 54 1HG GLU 54 -2.172 -6.189 2.389 458 2HG GLU 54 2HG GLU 54 -3.530 -5.504 1.496 459 H LEU 55 H LEU 55 -0.458 -5.728 -1.614 460 HA LEU 55 HA LEU 55 -0.010 -3.221 -0.409 461 1HB LEU 55 1HB LEU 55 1.848 -4.599 -0.969 462 2HB LEU 55 2HB LEU 55 1.353 -4.696 -2.646 463 HG LEU 55 HG LEU 55 1.753 -2.121 -2.646 464 1HD1 LEU 55 1HD1 LEU 55 3.372 -3.005 -0.266 465 2HD1 LEU 55 2HD1 LEU 55 3.594 -1.479 -1.122 466 3HD1 LEU 55 3HD1 LEU 55 2.077 -1.809 -0.286 467 1HD2 LEU 55 1HD2 LEU 55 3.649 -2.576 -3.773 468 2HD2 LEU 55 2HD2 LEU 55 4.332 -3.523 -2.452 469 3HD2 LEU 55 3HD2 LEU 55 3.145 -4.250 -3.536 470 H ASN 56 H ASN 56 -0.956 -4.153 -3.696 471 HA ASN 56 HA ASN 56 -0.909 -1.570 -4.807 472 1HB ASN 56 1HB ASN 56 -1.496 -4.157 -5.710 473 2HB ASN 56 2HB ASN 56 -2.970 -3.232 -5.986 474 1HD2 ASN 56 1HD2 ASN 56 -0.158 -2.994 -8.654 475 2HD2 ASN 56 2HD2 ASN 56 -0.487 -4.302 -7.574 476 H SER 57 H SER 57 -3.361 -3.327 -3.009 477 HA SER 57 HA SER 57 -5.479 -1.483 -3.508 478 1HB SER 57 1HB SER 57 -6.312 -2.672 -1.263 479 2HB SER 57 2HB SER 57 -6.362 -3.489 -2.825 480 HG SER 57 HG SER 57 -4.374 -3.732 -0.817 481 H LEU 58 H LEU 58 -3.063 -1.861 -0.970 482 HA LEU 58 HA LEU 58 -4.133 0.255 0.657 483 1HB LEU 58 1HB LEU 58 -1.758 -1.536 0.743 484 2HB LEU 58 2HB LEU 58 -1.674 -0.035 1.646 485 HG LEU 58 HG LEU 58 -4.154 -1.485 2.140 486 1HD1 LEU 58 1HD1 LEU 58 -2.262 -3.264 1.695 487 2HD1 LEU 58 2HD1 LEU 58 -1.783 -2.824 3.335 488 3HD1 LEU 58 3HD1 LEU 58 -3.403 -3.451 3.027 489 1HD2 LEU 58 1HD2 LEU 58 -2.432 0.317 3.441 490 2HD2 LEU 58 2HD2 LEU 58 -3.955 -0.343 4.036 491 3HD2 LEU 58 3HD2 LEU 58 -2.434 -1.155 4.411 492 H TRP 59 H TRP 59 -1.837 -0.032 -1.928 493 HA TRP 59 HA TRP 59 -0.734 2.611 -1.473 494 1HB TRP 59 1HB TRP 59 0.829 0.959 -2.194 495 2HB TRP 59 2HB TRP 59 -0.218 0.445 -3.506 496 HD1 TRP 59 HD1 TRP 59 0.185 1.514 -5.805 497 HE1 TRP 59 HE1 TRP 59 1.720 3.370 -6.707 498 HE3 TRP 59 HE3 TRP 59 1.934 3.365 -1.372 499 HZ2 TRP 59 HZ2 TRP 59 3.448 5.342 -5.686 500 HZ3 TRP 59 HZ3 TRP 59 3.538 5.227 -1.426 501 HH2 TRP 59 HH2 TRP 59 4.276 6.198 -3.539 502 H GLY 60 H GLY 60 -3.209 1.057 -3.326 503 1HA GLY 60 1HA GLY 60 -3.440 3.013 -5.386 504 2HA GLY 60 2HA GLY 60 -4.657 1.826 -4.944 505 H THR 61 H THR 61 -5.662 2.352 -2.649 506 HA THR 61 HA THR 61 -7.170 4.683 -2.881 507 HB THR 61 HB THR 61 -7.209 2.569 -1.169 508 HG1 THR 61 HG1 THR 61 -8.904 4.136 -1.681 509 1HG2 THR 61 1HG2 THR 61 -7.097 3.455 1.119 510 2HG2 THR 61 2HG2 THR 61 -5.525 3.259 0.344 511 3HG2 THR 61 3HG2 THR 61 -6.247 4.864 0.490 512 H PHE 62 H PHE 62 -4.344 3.948 -0.983 513 HA PHE 62 HA PHE 62 -3.738 6.305 0.284 514 1HB PHE 62 1HB PHE 62 -2.415 4.273 0.536 515 2HB PHE 62 2HB PHE 62 -1.917 4.362 -1.152 516 HD1 PHE 62 HD1 PHE 62 0.421 4.265 -0.633 517 HD2 PHE 62 HD2 PHE 62 -2.052 7.341 0.973 518 HE1 PHE 62 HE1 PHE 62 2.420 5.534 0.028 519 HE2 PHE 62 HE2 PHE 62 -0.053 8.613 1.629 520 HZ PHE 62 HZ PHE 62 2.186 7.706 1.151 521 H LYS 63 H LYS 63 -2.685 5.272 -2.914 522 HA LYS 63 HA LYS 63 -1.352 7.515 -3.761 523 1HB LYS 63 1HB LYS 63 -2.329 5.106 -4.889 524 2HB LYS 63 2HB LYS 63 -2.820 6.396 -5.952 525 1HG LYS 63 1HG LYS 63 -0.472 7.161 -6.058 526 2HG LYS 63 2HG LYS 63 -0.016 5.778 -5.061 527 1HD LYS 63 1HD LYS 63 -1.257 5.705 -7.810 528 2HD LYS 63 2HD LYS 63 0.394 5.258 -7.382 529 1HE LYS 63 1HE LYS 63 -0.303 3.171 -7.076 530 2HE LYS 63 2HE LYS 63 -1.282 3.724 -5.717 531 1HZ LYS 63 1HZ LYS 63 -2.082 3.317 -8.536 532 2HZ LYS 63 2HZ LYS 63 -2.776 2.668 -7.139 533 3HZ LYS 63 3HZ LYS 63 -2.993 4.304 -7.507 534 H THR 64 H THR 64 -4.836 6.847 -3.910 535 HA THR 64 HA THR 64 -5.686 8.967 -5.463 536 HB THR 64 HB THR 64 -7.128 8.199 -2.932 537 HG1 THR 64 HG1 THR 64 -8.002 6.455 -4.221 538 1HG2 THR 64 1HG2 THR 64 -8.350 8.532 -5.634 539 2HG2 THR 64 2HG2 THR 64 -9.090 8.686 -4.041 540 3HG2 THR 64 3HG2 THR 64 -7.997 9.938 -4.631 541 H GLU 65 H GLU 65 -4.657 8.897 -2.121 542 HA GLU 65 HA GLU 65 -5.171 11.726 -1.729 543 1HB GLU 65 1HB GLU 65 -3.620 9.933 0.133 544 2HB GLU 65 2HB GLU 65 -4.501 11.404 0.519 545 1HG GLU 65 1HG GLU 65 -6.133 9.252 -0.614 546 2HG GLU 65 2HG GLU 65 -5.415 8.901 0.957 547 H VAL 66 H VAL 66 -2.554 9.557 -2.488 548 HA VAL 66 HA VAL 66 -0.368 11.159 -1.924 549 HB VAL 66 HB VAL 66 -0.693 9.098 -4.073 550 1HG1 VAL 66 1HG1 VAL 66 1.581 10.836 -3.415 551 2HG1 VAL 66 2HG1 VAL 66 1.957 9.121 -3.556 552 3HG1 VAL 66 3HG1 VAL 66 1.204 9.973 -4.903 553 1HG2 VAL 66 1HG2 VAL 66 0.319 7.588 -2.531 554 2HG2 VAL 66 2HG2 VAL 66 0.714 8.901 -1.420 555 3HG2 VAL 66 3HG2 VAL 66 -0.966 8.429 -1.663 556 H TYR 67 H TYR 67 -2.087 10.788 -5.013 557 HA TYR 67 HA TYR 67 -0.639 12.635 -6.494 558 1HB TYR 67 1HB TYR 67 -3.328 11.413 -6.681 559 2HB TYR 67 2HB TYR 67 -3.110 12.915 -7.576 560 HD1 TYR 67 HD1 TYR 67 -0.725 12.945 -8.892 561 HD2 TYR 67 HD2 TYR 67 -2.980 9.485 -7.876 562 HE1 TYR 67 HE1 TYR 67 0.372 11.706 -10.710 563 HE2 TYR 67 HE2 TYR 67 -1.888 8.233 -9.691 564 HH TYR 67 HH TYR 67 -0.713 9.010 -12.021 565 H ASN 68 H ASN 68 -3.213 13.115 -4.181 566 HA ASN 68 HA ASN 68 -3.389 15.956 -4.770 567 1HB ASN 68 1HB ASN 68 -4.871 14.182 -2.826 568 2HB ASN 68 2HB ASN 68 -5.132 15.919 -2.952 569 1HD2 ASN 68 1HD2 ASN 68 -7.488 13.835 -5.081 570 2HD2 ASN 68 2HD2 ASN 68 -6.906 13.609 -3.470 571 H LEU 69 H LEU 69 -1.686 13.886 -2.606 572 HA LEU 69 HA LEU 69 -1.437 15.622 -0.395 573 1HB LEU 69 1HB LEU 69 0.023 14.089 0.485 574 2HB LEU 69 2HB LEU 69 -0.777 13.087 -0.702 575 HG LEU 69 HG LEU 69 1.193 13.681 -2.256 576 1HD1 LEU 69 1HD1 LEU 69 2.851 14.949 -1.499 577 2HD1 LEU 69 2HD1 LEU 69 1.894 15.271 -0.053 578 3HD1 LEU 69 3HD1 LEU 69 3.040 13.932 -0.070 579 1HD2 LEU 69 1HD2 LEU 69 0.898 11.727 -0.146 580 2HD2 LEU 69 2HD2 LEU 69 1.534 11.535 -1.777 581 3HD2 LEU 69 3HD2 LEU 69 2.597 12.066 -0.476 582 H ARG 70 H ARG 70 0.312 15.367 -3.424 583 HA ARG 70 HA ARG 70 2.417 17.121 -2.669 584 1HB ARG 70 1HB ARG 70 1.482 16.052 -5.315 585 2HB ARG 70 2HB ARG 70 2.789 17.224 -5.209 586 1HG ARG 70 1HG ARG 70 4.229 15.733 -4.210 587 2HG ARG 70 2HG ARG 70 2.922 14.729 -3.580 588 1HD ARG 70 1HD ARG 70 4.056 13.579 -5.383 589 2HD ARG 70 2HD ARG 70 2.413 13.992 -5.870 590 HE ARG 70 HE ARG 70 4.065 16.056 -6.719 591 1HH1 ARG 70 1HH1 ARG 70 4.203 12.752 -8.978 592 2HH1 ARG 70 2HH1 ARG 70 3.638 12.652 -7.345 593 1HH2 ARG 70 1HH2 ARG 70 4.867 14.763 -9.845 594 2HH2 ARG 70 2HH2 ARG 70 4.807 16.193 -8.869 595 H MET 71 H MET 71 -0.689 17.775 -2.985 596 HA MET 71 HA MET 71 -0.313 20.418 -4.195 597 1HB MET 71 1HB MET 71 -2.615 18.559 -3.966 598 2HB MET 71 2HB MET 71 -2.980 20.274 -3.848 599 1HG MET 71 1HG MET 71 -1.244 19.984 -6.035 600 2HG MET 71 2HG MET 71 -2.433 18.692 -6.163 601 1HE MET 71 1HE MET 71 -1.561 22.196 -5.833 602 2HE MET 71 2HE MET 71 -2.636 22.999 -6.976 603 3HE MET 71 3HE MET 71 -3.074 22.911 -5.270 604 H ASN 72 H ASN 72 -1.009 18.750 -1.245 605 HA ASN 72 HA ASN 72 -2.104 20.976 0.169 606 1HB ASN 72 1HB ASN 72 -0.829 18.458 1.261 607 2HB ASN 72 2HB ASN 72 -1.839 19.585 2.162 608 1HD2 ASN 72 1HD2 ASN 72 -4.877 18.428 0.851 609 2HD2 ASN 72 2HD2 ASN 72 -4.061 19.753 1.601 610 H LEU 73 H LEU 73 -1.089 22.600 1.151 611 HA LEU 73 HA LEU 73 1.836 22.419 1.449 612 1HB LEU 73 1HB LEU 73 0.110 24.478 0.304 613 2HB LEU 73 2HB LEU 73 1.231 25.114 1.490 614 HG LEU 73 HG LEU 73 2.150 25.272 -0.763 615 1HD1 LEU 73 1HD1 LEU 73 3.686 24.974 1.098 616 2HD1 LEU 73 2HD1 LEU 73 3.557 23.223 0.941 617 3HD1 LEU 73 3HD1 LEU 73 4.294 24.171 -0.351 618 1HD2 LEU 73 1HD2 LEU 73 1.727 23.677 -2.248 619 2HD2 LEU 73 2HD2 LEU 73 2.818 22.609 -1.365 620 3HD2 LEU 73 3HD2 LEU 73 1.095 22.613 -0.989 621 H GLY 74 H GLY 74 -1.176 23.525 2.903 622 1HA GLY 74 1HA GLY 74 -0.095 23.170 5.537 623 2HA GLY 74 2HA GLY 74 -0.321 24.864 5.129 624 H GLY 75 H GLY 75 -1.837 24.938 6.892 625 1HA GLY 75 1HA GLY 75 -4.505 24.846 6.090 626 2HA GLY 75 2HA GLY 75 -4.182 23.360 6.972 627 H THR 76 H THR 76 -2.304 24.472 8.818 628 HA THR 76 HA THR 76 -4.127 25.469 10.767 629 HB THR 76 HB THR 76 -1.719 25.904 11.910 630 HG1 THR 76 HG1 THR 76 -0.312 24.278 11.126 631 1HG2 THR 76 1HG2 THR 76 -3.657 24.000 12.179 632 2HG2 THR 76 2HG2 THR 76 -2.230 23.045 11.775 633 3HG2 THR 76 3HG2 THR 76 -2.199 24.133 13.162 634 H GLY 77 H GLY 77 -4.464 27.507 11.497 635 1HA GLY 77 1HA GLY 77 -3.114 29.738 11.660 636 2HA GLY 77 2HA GLY 77 -3.264 29.663 9.910 637 H PHE 78 H PHE 78 -5.708 29.044 9.310 638 HA PHE 78 HA PHE 78 -7.232 31.317 9.853 639 1HB PHE 78 1HB PHE 78 -7.536 28.881 8.336 640 2HB PHE 78 2HB PHE 78 -9.047 29.282 9.144 641 HD1 PHE 78 HD1 PHE 78 -10.010 31.600 8.799 642 HD2 PHE 78 HD2 PHE 78 -6.872 30.012 6.404 643 HE1 PHE 78 HE1 PHE 78 -10.503 33.263 7.058 644 HE2 PHE 78 HE2 PHE 78 -7.358 31.675 4.657 645 HZ PHE 78 HZ PHE 78 -9.176 33.305 4.982 646 H GLN 79 H GLN 79 -9.676 30.914 10.616 647 HA GLN 79 HA GLN 79 -9.496 30.478 13.423 648 1HB GLN 79 1HB GLN 79 -11.078 32.044 12.059 649 2HB GLN 79 2HB GLN 79 -12.105 30.620 11.953 650 1HG GLN 79 1HG GLN 79 -12.837 30.887 14.028 651 2HG GLN 79 2HG GLN 79 -11.200 31.068 14.659 652 1HE2 GLN 79 1HE2 GLN 79 -11.211 34.605 14.509 653 2HE2 GLN 79 2HE2 GLN 79 -10.204 33.206 14.392 Start of MODEL 44 1 1H MET 1 1H MET 1 -15.548 3.375 -5.094 2 2H MET 1 2H MET 1 -17.156 2.850 -4.808 3 3H MET 1 3H MET 1 -16.241 3.547 -3.535 4 HA MET 1 HA MET 1 -16.353 1.210 -3.270 5 1HB MET 1 1HB MET 1 -16.413 1.169 -5.991 6 2HB MET 1 2HB MET 1 -14.753 0.673 -5.692 7 1HG MET 1 1HG MET 1 -15.466 -1.192 -4.391 8 2HG MET 1 2HG MET 1 -17.139 -0.639 -4.419 9 1HE MET 1 1HE MET 1 -18.369 -2.597 -5.352 10 2HE MET 1 2HE MET 1 -17.798 -3.631 -6.660 11 3HE MET 1 3HE MET 1 -16.909 -3.563 -5.139 12 H ASP 2 H ASP 2 -14.252 3.684 -3.619 13 HA ASP 2 HA ASP 2 -11.725 2.431 -3.399 14 1HB ASP 2 1HB ASP 2 -12.725 5.089 -3.491 15 2HB ASP 2 2HB ASP 2 -11.720 4.961 -2.052 16 H ARG 3 H ARG 3 -10.592 1.715 -1.675 17 HA ARG 3 HA ARG 3 -11.995 1.661 0.899 18 1HB ARG 3 1HB ARG 3 -10.476 -0.292 -0.592 19 2HB ARG 3 2HB ARG 3 -9.789 -0.075 1.012 20 1HG ARG 3 1HG ARG 3 -12.583 -0.232 1.340 21 2HG ARG 3 2HG ARG 3 -12.120 -1.521 0.229 22 1HD ARG 3 1HD ARG 3 -10.355 -2.190 1.862 23 2HD ARG 3 2HD ARG 3 -11.011 -1.001 2.983 24 HE ARG 3 HE ARG 3 -13.033 -2.299 3.085 25 1HH1 ARG 3 1HH1 ARG 3 -10.977 -5.479 1.775 26 2HH1 ARG 3 2HH1 ARG 3 -10.333 -3.892 1.527 27 1HH2 ARG 3 1HH2 ARG 3 -12.977 -5.761 2.834 28 2HH2 ARG 3 2HH2 ARG 3 -13.866 -4.388 3.400 29 H VAL 4 H VAL 4 -11.383 3.570 1.825 30 HA VAL 4 HA VAL 4 -8.716 4.549 1.790 31 HB VAL 4 HB VAL 4 -9.474 6.095 3.589 32 1HG1 VAL 4 1HG1 VAL 4 -11.678 6.414 1.727 33 2HG1 VAL 4 2HG1 VAL 4 -10.268 7.439 2.000 34 3HG1 VAL 4 3HG1 VAL 4 -10.156 6.057 0.911 35 1HG2 VAL 4 1HG2 VAL 4 -11.055 4.580 4.689 36 2HG2 VAL 4 2HG2 VAL 4 -11.816 6.109 4.250 37 3HG2 VAL 4 3HG2 VAL 4 -12.113 4.666 3.281 38 H LEU 5 H LEU 5 -7.050 4.042 3.010 39 HA LEU 5 HA LEU 5 -7.381 2.083 5.126 40 1HB LEU 5 1HB LEU 5 -4.787 2.241 5.074 41 2HB LEU 5 2HB LEU 5 -5.649 1.398 3.813 42 HG LEU 5 HG LEU 5 -5.467 3.425 2.407 43 1HD1 LEU 5 1HD1 LEU 5 -4.344 4.464 4.860 44 2HD1 LEU 5 2HD1 LEU 5 -3.357 4.789 3.435 45 3HD1 LEU 5 3HD1 LEU 5 -5.043 5.305 3.479 46 1HD2 LEU 5 1HD2 LEU 5 -3.324 1.653 3.238 47 2HD2 LEU 5 2HD2 LEU 5 -3.874 2.103 1.624 48 3HD2 LEU 5 3HD2 LEU 5 -2.756 3.151 2.497 49 H SER 6 H SER 6 -6.875 2.347 7.230 50 HA SER 6 HA SER 6 -6.722 5.094 8.174 51 1HB SER 6 1HB SER 6 -7.098 4.027 10.423 52 2HB SER 6 2HB SER 6 -8.375 3.716 9.250 53 HG SER 6 HG SER 6 -6.444 1.980 10.290 54 H ARG 7 H ARG 7 -5.440 4.976 10.511 55 HA ARG 7 HA ARG 7 -2.743 5.186 9.852 56 1HB ARG 7 1HB ARG 7 -3.724 6.314 11.768 57 2HB ARG 7 2HB ARG 7 -4.042 4.773 12.549 58 1HG ARG 7 1HG ARG 7 -1.853 4.460 13.136 59 2HG ARG 7 2HG ARG 7 -1.242 5.447 11.807 60 1HD ARG 7 1HD ARG 7 -0.855 6.752 13.701 61 2HD ARG 7 2HD ARG 7 -2.338 7.421 13.024 62 HE ARG 7 HE ARG 7 -2.066 5.893 15.491 63 1HH1 ARG 7 1HH1 ARG 7 -5.539 7.475 14.271 64 2HH1 ARG 7 2HH1 ARG 7 -4.190 7.452 13.191 65 1HH2 ARG 7 1HH2 ARG 7 -5.346 6.617 16.378 66 2HH2 ARG 7 2HH2 ARG 7 -3.845 5.932 16.905 67 H ALA 8 H ALA 8 -4.583 2.459 11.051 68 HA ALA 8 HA ALA 8 -2.300 0.854 11.690 69 1HB ALA 8 1HB ALA 8 -4.774 0.702 12.541 70 2HB ALA 8 2HB ALA 8 -4.965 -0.357 11.145 71 3HB ALA 8 3HB ALA 8 -3.780 -0.748 12.393 72 H ASP 9 H ASP 9 -4.450 1.147 8.903 73 HA ASP 9 HA ASP 9 -3.314 -1.101 7.535 74 1HB ASP 9 1HB ASP 9 -5.026 1.140 6.448 75 2HB ASP 9 2HB ASP 9 -4.676 -0.379 5.633 76 H LYS 10 H LYS 10 -3.096 2.442 7.043 77 HA LYS 10 HA LYS 10 -1.277 2.340 4.921 78 1HB LYS 10 1HB LYS 10 -0.776 4.664 5.413 79 2HB LYS 10 2HB LYS 10 -2.502 4.380 5.572 80 1HG LYS 10 1HG LYS 10 -2.135 5.628 7.434 81 2HG LYS 10 2HG LYS 10 -1.865 4.017 8.096 82 1HD LYS 10 1HD LYS 10 0.218 4.554 8.645 83 2HD LYS 10 2HD LYS 10 0.578 4.985 6.974 84 1HE LYS 10 1HE LYS 10 0.965 6.998 7.973 85 2HE LYS 10 2HE LYS 10 -0.756 7.169 7.631 86 1HZ LYS 10 1HZ LYS 10 -1.014 6.148 9.976 87 2HZ LYS 10 2HZ LYS 10 0.581 6.665 10.202 88 3HZ LYS 10 3HZ LYS 10 -0.627 7.788 9.826 89 H GLU 11 H GLU 11 -0.810 2.086 8.375 90 HA GLU 11 HA GLU 11 2.007 2.429 8.395 91 1HB GLU 11 1HB GLU 11 -0.030 1.347 10.279 92 2HB GLU 11 2HB GLU 11 1.645 0.882 10.548 93 1HG GLU 11 1HG GLU 11 1.207 3.746 10.093 94 2HG GLU 11 2HG GLU 11 0.482 3.096 11.560 95 H ARG 12 H ARG 12 -0.137 -0.295 7.910 96 HA ARG 12 HA ARG 12 1.825 -2.337 7.997 97 1HB ARG 12 1HB ARG 12 -0.519 -2.892 8.226 98 2HB ARG 12 2HB ARG 12 -0.880 -2.209 6.648 99 1HG ARG 12 1HG ARG 12 -0.814 -4.696 6.717 100 2HG ARG 12 2HG ARG 12 0.274 -3.967 5.535 101 1HD ARG 12 1HD ARG 12 2.118 -4.191 7.193 102 2HD ARG 12 2HD ARG 12 1.008 -5.067 8.244 103 HE ARG 12 HE ARG 12 2.225 -6.028 5.789 104 1HH1 ARG 12 1HH1 ARG 12 -0.289 -8.254 7.974 105 2HH1 ARG 12 2HH1 ARG 12 -0.156 -6.559 8.292 106 1HH2 ARG 12 1HH2 ARG 12 0.955 -9.218 6.318 107 2HH2 ARG 12 2HH2 ARG 12 2.042 -8.255 5.371 108 H LEU 13 H LEU 13 0.571 -0.258 5.462 109 HA LEU 13 HA LEU 13 1.747 -1.504 3.240 110 1HB LEU 13 1HB LEU 13 0.058 0.142 2.912 111 2HB LEU 13 2HB LEU 13 0.954 1.345 3.813 112 HG LEU 13 HG LEU 13 2.698 0.849 1.792 113 1HD1 LEU 13 1HD1 LEU 13 1.649 0.467 -0.239 114 2HD1 LEU 13 2HD1 LEU 13 0.837 -0.668 0.839 115 3HD1 LEU 13 3HD1 LEU 13 0.052 0.846 0.401 116 1HD2 LEU 13 1HD2 LEU 13 1.456 2.978 2.735 117 2HD2 LEU 13 2HD2 LEU 13 2.254 2.997 1.162 118 3HD2 LEU 13 3HD2 LEU 13 0.505 2.785 1.261 119 H LEU 14 H LEU 14 2.986 0.653 5.676 120 HA LEU 14 HA LEU 14 5.392 1.371 4.345 121 1HB LEU 14 1HB LEU 14 4.314 1.580 7.107 122 2HB LEU 14 2HB LEU 14 6.046 1.758 6.894 123 HG LEU 14 HG LEU 14 3.899 3.449 5.614 124 1HD1 LEU 14 1HD1 LEU 14 4.086 4.132 7.838 125 2HD1 LEU 14 2HD1 LEU 14 5.830 3.878 7.867 126 3HD1 LEU 14 3HD1 LEU 14 5.151 5.229 6.961 127 1HD2 LEU 14 1HD2 LEU 14 5.385 3.974 4.052 128 2HD2 LEU 14 2HD2 LEU 14 6.439 4.615 5.312 129 3HD2 LEU 14 3HD2 LEU 14 6.598 2.936 4.798 130 H GLU 15 H GLU 15 4.470 -1.210 6.557 131 HA GLU 15 HA GLU 15 6.977 -2.214 7.212 132 1HB GLU 15 1HB GLU 15 4.258 -3.444 6.958 133 2HB GLU 15 2HB GLU 15 5.650 -4.480 7.244 134 1HG GLU 15 1HG GLU 15 6.097 -2.707 9.162 135 2HG GLU 15 2HG GLU 15 4.353 -2.502 9.026 136 H LEU 16 H LEU 16 4.878 -3.068 4.474 137 HA LEU 16 HA LEU 16 6.768 -4.871 3.317 138 1HB LEU 16 1HB LEU 16 4.312 -3.528 2.200 139 2HB LEU 16 2HB LEU 16 5.262 -4.700 1.309 140 HG LEU 16 HG LEU 16 4.633 -5.897 3.793 141 1HD1 LEU 16 1HD1 LEU 16 2.844 -4.436 4.225 142 2HD1 LEU 16 2HD1 LEU 16 2.328 -4.434 2.540 143 3HD1 LEU 16 3HD1 LEU 16 2.108 -5.878 3.528 144 1HD2 LEU 16 1HD2 LEU 16 4.950 -7.187 1.832 145 2HD2 LEU 16 2HD2 LEU 16 3.260 -7.390 2.294 146 3HD2 LEU 16 3HD2 LEU 16 3.688 -6.310 0.967 147 H LEU 17 H LEU 17 6.520 -1.489 3.400 148 HA LEU 17 HA LEU 17 7.899 -1.060 0.882 149 1HB LEU 17 1HB LEU 17 6.524 0.632 2.875 150 2HB LEU 17 2HB LEU 17 7.852 1.379 2.009 151 HG LEU 17 HG LEU 17 5.522 1.732 1.067 152 1HD1 LEU 17 1HD1 LEU 17 6.300 1.640 -1.211 153 2HD1 LEU 17 2HD1 LEU 17 7.611 2.169 -0.157 154 3HD1 LEU 17 3HD1 LEU 17 7.578 0.513 -0.763 155 1HD2 LEU 17 1HD2 LEU 17 4.262 -0.066 0.718 156 2HD2 LEU 17 2HD2 LEU 17 5.344 -0.486 -0.609 157 3HD2 LEU 17 3HD2 LEU 17 5.619 -1.154 0.998 158 H LYS 18 H LYS 18 8.786 -1.732 4.067 159 HA LYS 18 HA LYS 18 10.758 -1.589 5.210 160 1HB LYS 18 1HB LYS 18 11.432 -1.994 2.408 161 2HB LYS 18 2HB LYS 18 12.696 -1.136 3.274 162 1HG LYS 18 1HG LYS 18 13.416 -3.187 3.803 163 2HG LYS 18 2HG LYS 18 12.138 -3.138 5.018 164 1HD LYS 18 1HD LYS 18 10.670 -4.024 3.013 165 2HD LYS 18 2HD LYS 18 12.234 -4.577 2.412 166 1HE LYS 18 1HE LYS 18 11.416 -5.152 5.230 167 2HE LYS 18 2HE LYS 18 10.797 -6.144 3.912 168 1HZ LYS 18 1HZ LYS 18 13.606 -5.784 4.764 169 2HZ LYS 18 2HZ LYS 18 12.720 -7.221 4.647 170 3HZ LYS 18 3HZ LYS 18 13.210 -6.412 3.243 171 H LEU 19 H LEU 19 9.259 0.855 4.251 172 HA LEU 19 HA LEU 19 11.364 2.871 4.556 173 1HB LEU 19 1HB LEU 19 10.171 2.991 2.447 174 2HB LEU 19 2HB LEU 19 8.632 2.990 3.279 175 HG LEU 19 HG LEU 19 10.368 5.198 4.084 176 1HD1 LEU 19 1HD1 LEU 19 9.510 6.262 1.747 177 2HD1 LEU 19 2HD1 LEU 19 11.138 5.641 2.019 178 3HD1 LEU 19 3HD1 LEU 19 9.926 4.627 1.236 179 1HD2 LEU 19 1HD2 LEU 19 8.133 6.344 3.270 180 2HD2 LEU 19 2HD2 LEU 19 7.530 4.691 3.363 181 3HD2 LEU 19 3HD2 LEU 19 8.211 5.462 4.794 182 HA PRO 20 HA PRO 20 9.747 3.146 8.766 183 1HB PRO 20 1HB PRO 20 11.088 5.796 8.446 184 2HB PRO 20 2HB PRO 20 11.162 4.653 9.789 185 1HG PRO 20 1HG PRO 20 13.156 4.839 8.021 186 2HG PRO 20 2HG PRO 20 12.679 3.282 8.717 187 1HD PRO 20 1HD PRO 20 12.248 4.342 5.986 188 2HD PRO 20 2HD PRO 20 12.376 2.661 6.540 189 H ARG 21 H ARG 21 8.452 4.674 9.995 190 HA ARG 21 HA ARG 21 6.418 5.900 8.330 191 1HB ARG 21 1HB ARG 21 5.210 6.136 10.541 192 2HB ARG 21 2HB ARG 21 5.547 4.488 10.030 193 1HG ARG 21 1HG ARG 21 7.634 5.680 11.703 194 2HG ARG 21 2HG ARG 21 6.070 5.497 12.498 195 1HD ARG 21 1HD ARG 21 6.034 3.131 11.883 196 2HD ARG 21 2HD ARG 21 7.592 3.310 11.079 197 HE ARG 21 HE ARG 21 7.104 3.119 13.919 198 1HH1 ARG 21 1HH1 ARG 21 10.744 3.958 12.473 199 2HH1 ARG 21 2HH1 ARG 21 9.366 4.077 11.436 200 1HH2 ARG 21 1HH2 ARG 21 10.494 3.324 14.651 201 2HH2 ARG 21 2HH2 ARG 21 8.921 2.960 15.279 202 H GLN 22 H GLN 22 9.174 6.858 9.990 203 HA GLN 22 HA GLN 22 8.350 9.397 10.950 204 1HB GLN 22 1HB GLN 22 10.412 8.033 11.604 205 2HB GLN 22 2HB GLN 22 11.151 8.656 10.136 206 1HG GLN 22 1HG GLN 22 11.867 10.323 11.425 207 2HG GLN 22 2HG GLN 22 10.217 10.935 11.307 208 1HE2 GLN 22 1HE2 GLN 22 11.726 9.817 14.829 209 2HE2 GLN 22 2HE2 GLN 22 12.651 9.934 13.373 210 H LEU 23 H LEU 23 9.643 8.234 7.915 211 HA LEU 23 HA LEU 23 9.675 10.953 6.853 212 1HB LEU 23 1HB LEU 23 11.002 10.165 5.058 213 2HB LEU 23 2HB LEU 23 11.656 9.473 6.524 214 HG LEU 23 HG LEU 23 11.737 7.854 4.734 215 1HD1 LEU 23 1HD1 LEU 23 9.519 7.008 6.565 216 2HD1 LEU 23 2HD1 LEU 23 10.715 5.984 5.773 217 3HD1 LEU 23 3HD1 LEU 23 11.207 7.092 7.059 218 1HD2 LEU 23 1HD2 LEU 23 8.788 7.675 4.545 219 2HD2 LEU 23 2HD2 LEU 23 9.614 8.960 3.662 220 3HD2 LEU 23 3HD2 LEU 23 10.029 7.279 3.361 221 H TRP 24 H TRP 24 7.384 8.773 7.276 222 HA TRP 24 HA TRP 24 6.150 8.134 4.919 223 1HB TRP 24 1HB TRP 24 5.255 7.356 6.990 224 2HB TRP 24 2HB TRP 24 4.986 8.994 7.568 225 HD1 TRP 24 HD1 TRP 24 2.754 10.205 6.822 226 HE1 TRP 24 HE1 TRP 24 0.588 9.349 5.729 227 HE3 TRP 24 HE3 TRP 24 4.401 5.641 5.218 228 HZ2 TRP 24 HZ2 TRP 24 -0.309 7.038 4.375 229 HZ3 TRP 24 HZ3 TRP 24 2.826 4.166 4.031 230 HH2 TRP 24 HH2 TRP 24 0.522 4.856 3.617 231 H GLY 25 H GLY 25 6.351 9.659 3.287 232 1HA GLY 25 1HA GLY 25 4.334 11.409 2.767 233 2HA GLY 25 2HA GLY 25 5.486 12.382 3.668 234 H ASP 26 H ASP 26 7.790 10.903 2.551 235 HA ASP 26 HA ASP 26 8.184 12.532 0.242 236 1HB ASP 26 1HB ASP 26 9.931 11.691 1.963 237 2HB ASP 26 2HB ASP 26 9.959 10.224 0.989 238 H PHE 27 H PHE 27 6.659 11.938 -1.297 239 HA PHE 27 HA PHE 27 5.880 9.471 -2.151 240 1HB PHE 27 1HB PHE 27 4.999 11.642 -2.994 241 2HB PHE 27 2HB PHE 27 6.440 11.796 -3.995 242 HD1 PHE 27 HD1 PHE 27 5.779 11.566 -6.194 243 HD2 PHE 27 HD2 PHE 27 4.257 8.868 -3.275 244 HE1 PHE 27 HE1 PHE 27 4.682 10.265 -7.972 245 HE2 PHE 27 HE2 PHE 27 3.158 7.563 -5.048 246 HZ PHE 27 HZ PHE 27 3.371 8.261 -7.399 247 H GLY 28 H GLY 28 8.826 11.181 -3.089 248 1HA GLY 28 1HA GLY 28 9.659 9.437 -5.121 249 2HA GLY 28 2HA GLY 28 10.716 10.474 -4.177 250 H ARG 29 H ARG 29 10.191 9.291 -1.627 251 HA ARG 29 HA ARG 29 11.982 7.051 -1.839 252 1HB ARG 29 1HB ARG 29 10.696 8.485 0.468 253 2HB ARG 29 2HB ARG 29 11.607 7.002 0.708 254 1HG ARG 29 1HG ARG 29 12.940 9.114 -0.861 255 2HG ARG 29 2HG ARG 29 12.696 9.437 0.856 256 1HD ARG 29 1HD ARG 29 13.769 7.255 1.363 257 2HD ARG 29 2HD ARG 29 14.107 7.064 -0.356 258 HE ARG 29 HE ARG 29 15.865 8.500 -0.122 259 1HH1 ARG 29 1HH1 ARG 29 14.800 9.987 3.442 260 2HH1 ARG 29 2HH1 ARG 29 13.730 8.912 2.608 261 1HH2 ARG 29 1HH2 ARG 29 16.811 10.556 2.516 262 2HH2 ARG 29 2HH2 ARG 29 17.274 9.914 0.974 263 H MET 30 H MET 30 8.637 7.470 -0.661 264 HA MET 30 HA MET 30 8.179 4.805 0.028 265 1HB MET 30 1HB MET 30 5.765 5.340 -0.240 266 2HB MET 30 2HB MET 30 6.642 6.513 0.733 267 1HG MET 30 1HG MET 30 6.724 8.046 -1.128 268 2HG MET 30 2HG MET 30 5.943 6.861 -2.173 269 1HE MET 30 1HE MET 30 5.757 8.467 1.196 270 2HE MET 30 2HE MET 30 4.125 9.119 1.339 271 3HE MET 30 3HE MET 30 4.428 7.415 1.678 272 H GLN 31 H GLN 31 7.663 6.458 -3.075 273 HA GLN 31 HA GLN 31 6.536 4.216 -4.389 274 1HB GLN 31 1HB GLN 31 6.371 6.603 -5.164 275 2HB GLN 31 2HB GLN 31 8.050 6.496 -5.672 276 1HG GLN 31 1HG GLN 31 7.391 4.582 -7.142 277 2HG GLN 31 2HG GLN 31 5.712 4.936 -6.741 278 1HE2 GLN 31 1HE2 GLN 31 7.725 7.135 -9.463 279 2HE2 GLN 31 2HE2 GLN 31 8.466 5.852 -8.575 280 H GLN 32 H GLN 32 9.831 5.331 -3.907 281 HA GLN 32 HA GLN 32 11.107 3.667 -5.781 282 1HB GLN 32 1HB GLN 32 11.987 5.616 -4.177 283 2HB GLN 32 2HB GLN 32 12.468 4.240 -3.197 284 1HG GLN 32 1HG GLN 32 14.354 4.519 -4.431 285 2HG GLN 32 2HG GLN 32 13.479 3.398 -5.473 286 1HE2 GLN 32 1HE2 GLN 32 12.841 5.762 -8.010 287 2HE2 GLN 32 2HE2 GLN 32 12.274 4.315 -7.259 288 H ALA 33 H ALA 33 10.278 3.177 -2.376 289 HA ALA 33 HA ALA 33 11.408 0.567 -2.217 290 1HB ALA 33 1HB ALA 33 9.962 2.376 -0.456 291 2HB ALA 33 2HB ALA 33 9.515 0.687 -0.217 292 3HB ALA 33 3HB ALA 33 11.203 1.181 -0.081 293 H TYR 34 H TYR 34 8.155 1.830 -2.827 294 HA TYR 34 HA TYR 34 6.700 -0.521 -2.730 295 1HB TYR 34 1HB TYR 34 5.646 1.679 -3.020 296 2HB TYR 34 2HB TYR 34 6.317 1.795 -4.645 297 HD1 TYR 34 HD1 TYR 34 5.647 -0.078 -6.302 298 HD2 TYR 34 HD2 TYR 34 3.509 0.768 -2.711 299 HE1 TYR 34 HE1 TYR 34 3.679 -1.234 -7.211 300 HE2 TYR 34 HE2 TYR 34 1.546 -0.406 -3.616 301 HH TYR 34 HH TYR 34 1.446 -2.471 -5.771 302 H LYS 35 H LYS 35 8.217 0.939 -5.607 303 HA LYS 35 HA LYS 35 7.672 -1.212 -7.340 304 1HB LYS 35 1HB LYS 35 9.603 1.083 -7.396 305 2HB LYS 35 2HB LYS 35 9.698 -0.175 -8.621 306 1HG LYS 35 1HG LYS 35 7.032 1.002 -8.141 307 2HG LYS 35 2HG LYS 35 8.237 2.038 -8.906 308 1HD LYS 35 1HD LYS 35 8.618 0.299 -10.607 309 2HD LYS 35 2HD LYS 35 7.363 -0.689 -9.857 310 1HE LYS 35 1HE LYS 35 6.119 1.742 -10.228 311 2HE LYS 35 2HE LYS 35 7.127 1.582 -11.665 312 1HZ LYS 35 1HZ LYS 35 6.027 -0.869 -11.443 313 2HZ LYS 35 2HZ LYS 35 4.764 0.121 -10.908 314 3HZ LYS 35 3HZ LYS 35 5.440 0.368 -12.439 315 H GLN 36 H GLN 36 10.258 -0.606 -5.072 316 HA GLN 36 HA GLN 36 12.009 -2.634 -6.069 317 1HB GLN 36 1HB GLN 36 12.084 -0.601 -4.060 318 2HB GLN 36 2HB GLN 36 12.540 -2.129 -3.321 319 1HG GLN 36 1HG GLN 36 14.135 -2.385 -5.314 320 2HG GLN 36 2HG GLN 36 13.859 -0.663 -5.572 321 1HE2 GLN 36 1HE2 GLN 36 15.736 0.392 -2.812 322 2HE2 GLN 36 2HE2 GLN 36 14.520 0.811 -3.965 323 H GLN 37 H GLN 37 9.468 -2.489 -3.655 324 HA GLN 37 HA GLN 37 10.023 -5.195 -2.755 325 1HB GLN 37 1HB GLN 37 7.824 -3.295 -1.931 326 2HB GLN 37 2HB GLN 37 8.239 -4.808 -1.135 327 1HG GLN 37 1HG GLN 37 10.253 -2.615 -1.438 328 2HG GLN 37 2HG GLN 37 9.086 -2.609 -0.118 329 1HE2 GLN 37 1HE2 GLN 37 10.472 -5.538 1.425 330 2HE2 GLN 37 2HE2 GLN 37 8.954 -4.820 1.022 331 H SER 38 H SER 38 7.989 -3.586 -5.011 332 HA SER 38 HA SER 38 5.890 -5.500 -5.103 333 1HB SER 38 1HB SER 38 5.222 -4.403 -7.169 334 2HB SER 38 2HB SER 38 5.672 -3.183 -5.978 335 HG SER 38 HG SER 38 7.873 -3.522 -7.136 336 H LEU 39 H LEU 39 9.050 -5.284 -6.545 337 HA LEU 39 HA LEU 39 8.634 -7.197 -8.604 338 1HB LEU 39 1HB LEU 39 10.945 -5.797 -7.406 339 2HB LEU 39 2HB LEU 39 11.298 -7.328 -8.184 340 HG LEU 39 HG LEU 39 9.611 -5.629 -9.840 341 1HD1 LEU 39 1HD1 LEU 39 11.705 -4.181 -10.401 342 2HD1 LEU 39 2HD1 LEU 39 10.630 -3.712 -9.085 343 3HD1 LEU 39 3HD1 LEU 39 12.152 -4.530 -8.730 344 1HD2 LEU 39 1HD2 LEU 39 10.622 -7.472 -10.861 345 2HD2 LEU 39 2HD2 LEU 39 11.570 -6.093 -11.418 346 3HD2 LEU 39 3HD2 LEU 39 12.191 -7.129 -10.134 347 H LEU 40 H LEU 40 9.765 -7.420 -5.261 348 HA LEU 40 HA LEU 40 10.289 -10.256 -5.521 349 1HB LEU 40 1HB LEU 40 11.023 -10.201 -3.258 350 2HB LEU 40 2HB LEU 40 11.665 -8.783 -4.060 351 HG LEU 40 HG LEU 40 9.465 -7.680 -3.019 352 1HD1 LEU 40 1HD1 LEU 40 10.177 -9.869 -1.071 353 2HD1 LEU 40 2HD1 LEU 40 9.042 -8.549 -0.788 354 3HD1 LEU 40 3HD1 LEU 40 8.685 -9.773 -2.005 355 1HD2 LEU 40 1HD2 LEU 40 10.910 -6.551 -1.701 356 2HD2 LEU 40 2HD2 LEU 40 11.620 -8.022 -1.037 357 3HD2 LEU 40 3HD2 LEU 40 12.118 -7.443 -2.626 358 H LEU 41 H LEU 41 7.565 -8.360 -5.009 359 HA LEU 41 HA LEU 41 6.195 -10.358 -3.382 360 1HB LEU 41 1HB LEU 41 5.569 -7.565 -4.257 361 2HB LEU 41 2HB LEU 41 4.276 -8.617 -3.713 362 HG LEU 41 HG LEU 41 6.688 -8.267 -1.983 363 1HD1 LEU 41 1HD1 LEU 41 6.361 -6.055 -1.934 364 2HD1 LEU 41 2HD1 LEU 41 4.784 -6.172 -2.715 365 3HD1 LEU 41 3HD1 LEU 41 4.930 -6.438 -0.979 366 1HD2 LEU 41 1HD2 LEU 41 4.488 -8.294 -0.399 367 2HD2 LEU 41 2HD2 LEU 41 3.938 -9.269 -1.762 368 3HD2 LEU 41 3HD2 LEU 41 5.392 -9.731 -0.877 369 H HIS 42 H HIS 42 6.768 -9.768 -6.619 370 HA HIS 42 HA HIS 42 4.272 -10.400 -7.786 371 1HB HIS 42 1HB HIS 42 6.408 -9.345 -8.829 372 2HB HIS 42 2HB HIS 42 6.926 -11.009 -9.062 373 HD1 HIS 42 HD1 HIS 42 3.635 -9.203 -9.759 374 HD2 HIS 42 HD2 HIS 42 6.411 -11.677 -11.608 375 HE1 HIS 42 HE1 HIS 42 2.728 -9.625 -12.067 376 HE2 HIS 42 HE2 HIS 42 4.380 -11.198 -13.135 377 HA PRO 43 HA PRO 43 4.030 -14.738 -6.954 378 1HB PRO 43 1HB PRO 43 2.519 -15.531 -9.093 379 2HB PRO 43 2HB PRO 43 1.866 -14.728 -7.661 380 1HG PRO 43 1HG PRO 43 2.569 -13.574 -10.329 381 2HG PRO 43 2HG PRO 43 1.166 -13.240 -9.297 382 1HD PRO 43 1HD PRO 43 3.277 -11.576 -9.424 383 2HD PRO 43 2HD PRO 43 2.358 -11.806 -7.926 384 H ASP 44 H ASP 44 5.556 -13.527 -9.781 385 HA ASP 44 HA ASP 44 6.334 -16.168 -10.712 386 1HB ASP 44 1HB ASP 44 6.277 -13.496 -11.841 387 2HB ASP 44 2HB ASP 44 7.818 -14.291 -12.144 388 H LYS 45 H LYS 45 7.548 -13.698 -8.654 389 HA LYS 45 HA LYS 45 10.260 -14.808 -8.770 390 1HB LYS 45 1HB LYS 45 9.150 -12.266 -7.589 391 2HB LYS 45 2HB LYS 45 10.785 -12.823 -7.259 392 1HG LYS 45 1HG LYS 45 10.839 -11.191 -9.016 393 2HG LYS 45 2HG LYS 45 11.256 -12.771 -9.682 394 1HD LYS 45 1HD LYS 45 9.289 -12.943 -10.857 395 2HD LYS 45 2HD LYS 45 8.410 -11.896 -9.745 396 1HE LYS 45 1HE LYS 45 9.106 -9.985 -10.777 397 2HE LYS 45 2HE LYS 45 10.634 -10.694 -11.297 398 1HZ LYS 45 1HZ LYS 45 9.719 -11.519 -13.181 399 2HZ LYS 45 2HZ LYS 45 8.193 -11.758 -12.491 400 3HZ LYS 45 3HZ LYS 45 8.669 -10.208 -12.971 401 H GLY 46 H GLY 46 7.874 -16.093 -7.479 402 1HA GLY 46 1HA GLY 46 7.854 -17.602 -5.690 403 2HA GLY 46 2HA GLY 46 9.216 -16.748 -4.984 404 H GLY 47 H GLY 47 7.519 -14.188 -5.495 405 1HA GLY 47 1HA GLY 47 6.569 -13.933 -2.855 406 2HA GLY 47 2HA GLY 47 6.214 -12.835 -4.181 407 H SER 48 H SER 48 4.368 -13.458 -2.178 408 HA SER 48 HA SER 48 2.511 -15.383 -3.324 409 1HB SER 48 1HB SER 48 2.943 -14.195 -0.706 410 2HB SER 48 2HB SER 48 1.243 -14.137 -1.174 411 HG SER 48 HG SER 48 1.131 -16.249 -1.053 412 H HIS 49 H HIS 49 0.317 -14.834 -3.836 413 HA HIS 49 HA HIS 49 0.117 -12.346 -5.259 414 1HB HIS 49 1HB HIS 49 -0.940 -14.765 -5.726 415 2HB HIS 49 2HB HIS 49 -2.289 -14.046 -4.854 416 HD1 HIS 49 HD1 HIS 49 -0.113 -12.074 -7.210 417 HD2 HIS 49 HD2 HIS 49 -3.915 -13.745 -7.072 418 HE1 HIS 49 HE1 HIS 49 -1.314 -11.177 -9.227 419 HE2 HIS 49 HE2 HIS 49 -3.580 -12.279 -9.176 420 H ALA 50 H ALA 50 -1.523 -13.799 -2.465 421 HA ALA 50 HA ALA 50 -3.347 -11.790 -1.915 422 1HB ALA 50 1HB ALA 50 -2.412 -12.769 0.568 423 2HB ALA 50 2HB ALA 50 -3.856 -13.248 -0.323 424 3HB ALA 50 3HB ALA 50 -2.334 -14.097 -0.589 425 H LEU 51 H LEU 51 0.090 -11.857 -1.379 426 HA LEU 51 HA LEU 51 0.109 -9.634 0.447 427 1HB LEU 51 1HB LEU 51 2.124 -11.372 -0.851 428 2HB LEU 51 2HB LEU 51 2.654 -9.757 -0.423 429 HG LEU 51 HG LEU 51 1.613 -10.369 1.917 430 1HD1 LEU 51 1HD1 LEU 51 2.210 -12.846 2.308 431 2HD1 LEU 51 2HD1 LEU 51 0.660 -12.453 1.562 432 3HD1 LEU 51 3HD1 LEU 51 2.005 -13.009 0.564 433 1HD2 LEU 51 1HD2 LEU 51 3.780 -10.951 2.673 434 2HD2 LEU 51 2HD2 LEU 51 4.232 -11.604 1.099 435 3HD2 LEU 51 3HD2 LEU 51 4.007 -9.868 1.300 436 H MET 52 H MET 52 1.106 -10.099 -2.944 437 HA MET 52 HA MET 52 1.803 -7.448 -3.472 438 1HB MET 52 1HB MET 52 2.299 -9.411 -4.938 439 2HB MET 52 2HB MET 52 0.614 -9.407 -5.437 440 1HG MET 52 1HG MET 52 1.668 -8.265 -7.143 441 2HG MET 52 2HG MET 52 1.045 -6.967 -6.125 442 1HE MET 52 1HE MET 52 2.399 -4.956 -6.126 443 2HE MET 52 2HE MET 52 2.590 -5.514 -4.465 444 3HE MET 52 3HE MET 52 3.983 -4.892 -5.353 445 H GLN 53 H GLN 53 -1.309 -8.986 -3.283 446 HA GLN 53 HA GLN 53 -2.771 -6.969 -4.666 447 1HB GLN 53 1HB GLN 53 -3.625 -9.110 -2.715 448 2HB GLN 53 2HB GLN 53 -4.755 -8.031 -3.520 449 1HG GLN 53 1HG GLN 53 -2.859 -9.881 -4.946 450 2HG GLN 53 2HG GLN 53 -4.543 -10.254 -4.585 451 1HE2 GLN 53 1HE2 GLN 53 -4.825 -9.119 -7.949 452 2HE2 GLN 53 2HE2 GLN 53 -4.458 -10.513 -6.997 453 H GLU 54 H GLU 54 -1.853 -7.514 -1.319 454 HA GLU 54 HA GLU 54 -3.512 -5.563 -0.143 455 1HB GLU 54 1HB GLU 54 -1.361 -7.306 0.680 456 2HB GLU 54 2HB GLU 54 -1.167 -5.713 1.399 457 1HG GLU 54 1HG GLU 54 -3.400 -5.834 2.332 458 2HG GLU 54 2HG GLU 54 -3.654 -7.399 1.559 459 H LEU 55 H LEU 55 -0.067 -5.411 -1.061 460 HA LEU 55 HA LEU 55 0.438 -2.780 -0.394 461 1HB LEU 55 1HB LEU 55 1.962 -4.683 -1.324 462 2HB LEU 55 2HB LEU 55 1.580 -3.985 -2.884 463 HG LEU 55 HG LEU 55 2.606 -1.895 -2.271 464 1HD1 LEU 55 1HD1 LEU 55 3.870 -2.511 0.192 465 2HD1 LEU 55 2HD1 LEU 55 2.728 -1.217 -0.164 466 3HD1 LEU 55 3HD1 LEU 55 2.139 -2.786 0.387 467 1HD2 LEU 55 1HD2 LEU 55 4.913 -3.034 -1.437 468 2HD2 LEU 55 2HD2 LEU 55 4.049 -4.443 -2.056 469 3HD2 LEU 55 3HD2 LEU 55 4.341 -3.055 -3.106 470 H ASN 56 H ASN 56 -0.668 -4.036 -3.539 471 HA ASN 56 HA ASN 56 -0.845 -1.561 -4.838 472 1HB ASN 56 1HB ASN 56 -2.547 -4.009 -5.344 473 2HB ASN 56 2HB ASN 56 -2.244 -2.693 -6.474 474 1HD2 ASN 56 1HD2 ASN 56 0.019 -5.212 -7.626 475 2HD2 ASN 56 2HD2 ASN 56 -1.648 -4.767 -7.681 476 H SER 57 H SER 57 -3.076 -3.227 -2.710 477 HA SER 57 HA SER 57 -5.276 -1.462 -3.243 478 1HB SER 57 1HB SER 57 -4.928 -3.927 -1.908 479 2HB SER 57 2HB SER 57 -5.519 -2.790 -0.699 480 HG SER 57 HG SER 57 -7.146 -2.237 -2.374 481 H LEU 58 H LEU 58 -2.822 -1.767 -0.714 482 HA LEU 58 HA LEU 58 -3.861 0.402 0.837 483 1HB LEU 58 1HB LEU 58 -1.255 -1.102 0.910 484 2HB LEU 58 2HB LEU 58 -1.613 0.225 1.998 485 HG LEU 58 HG LEU 58 -3.656 -1.894 1.934 486 1HD1 LEU 58 1HD1 LEU 58 -2.332 -3.404 3.358 487 2HD1 LEU 58 2HD1 LEU 58 -1.691 -3.288 1.718 488 3HD1 LEU 58 3HD1 LEU 58 -0.901 -2.424 3.038 489 1HD2 LEU 58 1HD2 LEU 58 -2.398 -0.022 3.847 490 2HD2 LEU 58 2HD2 LEU 58 -4.093 -0.459 3.635 491 3HD2 LEU 58 3HD2 LEU 58 -3.005 -1.542 4.504 492 H TRP 59 H TRP 59 -1.635 0.079 -1.800 493 HA TRP 59 HA TRP 59 -0.562 2.754 -1.440 494 1HB TRP 59 1HB TRP 59 1.012 1.089 -2.147 495 2HB TRP 59 2HB TRP 59 -0.047 0.559 -3.447 496 HD1 TRP 59 HD1 TRP 59 0.345 1.603 -5.755 497 HE1 TRP 59 HE1 TRP 59 1.830 3.489 -6.678 498 HE3 TRP 59 HE3 TRP 59 2.049 3.546 -1.342 499 HZ2 TRP 59 HZ2 TRP 59 3.508 5.522 -5.675 500 HZ3 TRP 59 HZ3 TRP 59 3.597 5.452 -1.415 501 HH2 TRP 59 HH2 TRP 59 4.310 6.420 -3.536 502 H GLY 60 H GLY 60 -3.012 1.077 -3.222 503 1HA GLY 60 1HA GLY 60 -3.327 2.947 -5.339 504 2HA GLY 60 2HA GLY 60 -4.511 1.757 -4.829 505 H THR 61 H THR 61 -5.519 2.366 -2.562 506 HA THR 61 HA THR 61 -7.057 4.667 -2.882 507 HB THR 61 HB THR 61 -7.072 2.610 -1.108 508 HG1 THR 61 HG1 THR 61 -8.971 3.488 -0.932 509 1HG2 THR 61 1HG2 THR 61 -5.385 3.383 0.363 510 2HG2 THR 61 2HG2 THR 61 -6.160 4.964 0.492 511 3HG2 THR 61 3HG2 THR 61 -6.955 3.534 1.150 512 H PHE 62 H PHE 62 -4.219 4.037 -0.963 513 HA PHE 62 HA PHE 62 -3.635 6.434 0.233 514 1HB PHE 62 1HB PHE 62 -2.284 4.412 0.500 515 2HB PHE 62 2HB PHE 62 -1.777 4.508 -1.186 516 HD1 PHE 62 HD1 PHE 62 0.554 4.407 -0.572 517 HD2 PHE 62 HD2 PHE 62 -1.969 7.528 0.868 518 HE1 PHE 62 HE1 PHE 62 2.532 5.696 0.114 519 HE2 PHE 62 HE2 PHE 62 0.013 8.820 1.547 520 HZ PHE 62 HZ PHE 62 2.265 7.900 1.167 521 H LYS 63 H LYS 63 -2.724 5.356 -2.987 522 HA LYS 63 HA LYS 63 -1.420 7.619 -3.905 523 1HB LYS 63 1HB LYS 63 -2.310 5.139 -4.929 524 2HB LYS 63 2HB LYS 63 -2.906 6.366 -6.016 525 1HG LYS 63 1HG LYS 63 -0.627 7.237 -6.275 526 2HG LYS 63 2HG LYS 63 -0.041 5.968 -5.198 527 1HD LYS 63 1HD LYS 63 -1.352 5.609 -7.892 528 2HD LYS 63 2HD LYS 63 0.334 5.295 -7.480 529 1HE LYS 63 1HE LYS 63 -0.268 3.186 -7.084 530 2HE LYS 63 2HE LYS 63 -1.115 3.774 -5.652 531 1HZ LYS 63 1HZ LYS 63 -2.290 3.493 -8.370 532 2HZ LYS 63 2HZ LYS 63 -2.555 2.443 -7.071 533 3HZ LYS 63 3HZ LYS 63 -3.109 4.039 -6.993 534 H THR 64 H THR 64 -4.876 6.870 -3.838 535 HA THR 64 HA THR 64 -5.890 8.804 -5.512 536 HB THR 64 HB THR 64 -7.029 8.095 -2.796 537 HG1 THR 64 HG1 THR 64 -6.546 6.373 -4.521 538 1HG2 THR 64 1HG2 THR 64 -7.975 10.000 -4.447 539 2HG2 THR 64 2HG2 THR 64 -8.820 8.579 -5.063 540 3HG2 THR 64 3HG2 THR 64 -8.976 9.033 -3.365 541 H GLU 65 H GLU 65 -4.634 9.111 -2.263 542 HA GLU 65 HA GLU 65 -5.161 11.960 -2.146 543 1HB GLU 65 1HB GLU 65 -3.491 10.361 -0.210 544 2HB GLU 65 2HB GLU 65 -4.325 11.880 0.078 545 1HG GLU 65 1HG GLU 65 -5.978 9.549 -0.688 546 2HG GLU 65 2HG GLU 65 -5.261 9.546 0.921 547 H VAL 66 H VAL 66 -2.551 9.749 -2.834 548 HA VAL 66 HA VAL 66 -0.375 11.440 -2.573 549 HB VAL 66 HB VAL 66 -0.752 9.158 -4.485 550 1HG1 VAL 66 1HG1 VAL 66 1.405 9.285 -5.175 551 2HG1 VAL 66 2HG1 VAL 66 1.151 11.000 -4.862 552 3HG1 VAL 66 3HG1 VAL 66 1.962 9.997 -3.663 553 1HG2 VAL 66 1HG2 VAL 66 -0.895 8.711 -2.019 554 2HG2 VAL 66 2HG2 VAL 66 0.390 7.839 -2.856 555 3HG2 VAL 66 3HG2 VAL 66 0.773 9.266 -1.891 556 H TYR 67 H TYR 67 -2.371 10.804 -5.438 557 HA TYR 67 HA TYR 67 -1.022 12.437 -7.234 558 1HB TYR 67 1HB TYR 67 -3.861 11.497 -7.046 559 2HB TYR 67 2HB TYR 67 -3.398 12.646 -8.297 560 HD1 TYR 67 HD1 TYR 67 -2.962 9.218 -7.052 561 HD2 TYR 67 HD2 TYR 67 -2.005 11.973 -10.149 562 HE1 TYR 67 HE1 TYR 67 -2.148 7.361 -8.442 563 HE2 TYR 67 HE2 TYR 67 -1.192 10.123 -11.549 564 HH TYR 67 HH TYR 67 -0.207 7.553 -10.815 565 H ASN 68 H ASN 68 -3.480 13.268 -4.842 566 HA ASN 68 HA ASN 68 -3.495 16.028 -5.749 567 1HB ASN 68 1HB ASN 68 -5.299 16.398 -4.208 568 2HB ASN 68 2HB ASN 68 -5.613 14.900 -5.073 569 1HD2 ASN 68 1HD2 ASN 68 -6.359 13.453 -2.025 570 2HD2 ASN 68 2HD2 ASN 68 -6.871 13.907 -3.611 571 H LEU 69 H LEU 69 -1.726 14.149 -3.538 572 HA LEU 69 HA LEU 69 -1.321 16.037 -1.480 573 1HB LEU 69 1HB LEU 69 0.228 14.591 -0.617 574 2HB LEU 69 2HB LEU 69 -0.661 13.494 -1.652 575 HG LEU 69 HG LEU 69 1.170 14.035 -3.413 576 1HD1 LEU 69 1HD1 LEU 69 2.038 15.718 -1.384 577 2HD1 LEU 69 2HD1 LEU 69 3.139 14.342 -1.316 578 3HD1 LEU 69 3HD1 LEU 69 2.944 15.240 -2.820 579 1HD2 LEU 69 1HD2 LEU 69 2.669 12.461 -1.633 580 2HD2 LEU 69 2HD2 LEU 69 0.973 12.113 -1.294 581 3HD2 LEU 69 3HD2 LEU 69 1.605 11.915 -2.927 582 H ARG 70 H ARG 70 0.198 15.552 -4.604 583 HA ARG 70 HA ARG 70 2.274 17.463 -4.132 584 1HB ARG 70 1HB ARG 70 1.397 16.392 -6.806 585 2HB ARG 70 2HB ARG 70 2.959 17.082 -6.396 586 1HG ARG 70 1HG ARG 70 3.748 15.122 -5.711 587 2HG ARG 70 2HG ARG 70 2.320 14.810 -4.723 588 1HD ARG 70 1HD ARG 70 2.661 13.120 -6.500 589 2HD ARG 70 2HD ARG 70 1.121 13.965 -6.631 590 HE ARG 70 HE ARG 70 1.851 14.971 -8.584 591 1HH1 ARG 70 1HH1 ARG 70 5.460 13.234 -8.524 592 2HH1 ARG 70 2HH1 ARG 70 4.454 13.158 -7.119 593 1HH2 ARG 70 1HH2 ARG 70 4.739 14.321 -10.401 594 2HH2 ARG 70 2HH2 ARG 70 3.179 15.072 -10.428 595 H MET 71 H MET 71 -0.870 17.900 -4.479 596 HA MET 71 HA MET 71 -0.650 20.330 -6.104 597 1HB MET 71 1HB MET 71 -2.918 18.507 -5.417 598 2HB MET 71 2HB MET 71 -3.262 20.183 -5.821 599 1HG MET 71 1HG MET 71 -1.878 19.770 -7.928 600 2HG MET 71 2HG MET 71 -2.037 18.058 -7.539 601 1HE MET 71 1HE MET 71 -3.677 16.895 -9.213 602 2HE MET 71 2HE MET 71 -4.660 17.923 -10.256 603 3HE MET 71 3HE MET 71 -2.926 18.213 -10.113 604 H ASN 72 H ASN 72 -1.284 19.166 -2.893 605 HA ASN 72 HA ASN 72 -2.523 21.500 -1.867 606 1HB ASN 72 1HB ASN 72 -0.946 19.340 -0.450 607 2HB ASN 72 2HB ASN 72 -1.910 20.573 0.357 608 1HD2 ASN 72 1HD2 ASN 72 -3.637 17.207 -0.583 609 2HD2 ASN 72 2HD2 ASN 72 -1.953 17.478 -0.308 610 H LEU 73 H LEU 73 -1.650 23.437 -1.626 611 HA LEU 73 HA LEU 73 1.206 23.627 -0.946 612 1HB LEU 73 1HB LEU 73 0.755 24.155 -3.352 613 2HB LEU 73 2HB LEU 73 -0.249 25.489 -2.821 614 HG LEU 73 HG LEU 73 2.635 25.296 -2.004 615 1HD1 LEU 73 1HD1 LEU 73 3.151 25.442 -4.183 616 2HD1 LEU 73 2HD1 LEU 73 1.520 25.930 -4.645 617 3HD1 LEU 73 3HD1 LEU 73 2.649 27.124 -4.004 618 1HD2 LEU 73 1HD2 LEU 73 0.453 27.259 -1.809 619 2HD2 LEU 73 2HD2 LEU 73 1.854 27.009 -0.769 620 3HD2 LEU 73 3HD2 LEU 73 2.023 27.914 -2.272 621 H GLY 74 H GLY 74 -1.547 25.865 -1.355 622 1HA GLY 74 1HA GLY 74 -2.141 26.408 1.258 623 2HA GLY 74 2HA GLY 74 -0.736 27.409 0.928 624 H GLY 75 H GLY 75 -4.026 26.692 -0.165 625 1HA GLY 75 1HA GLY 75 -5.277 28.970 -0.220 626 2HA GLY 75 2HA GLY 75 -4.121 29.306 -1.500 627 H THR 76 H THR 76 -6.662 29.530 -2.203 628 HA THR 76 HA THR 76 -7.272 27.031 -3.642 629 HB THR 76 HB THR 76 -9.618 27.683 -3.626 630 HG1 THR 76 HG1 THR 76 -8.823 29.914 -2.072 631 1HG2 THR 76 1HG2 THR 76 -9.363 28.204 -0.834 632 2HG2 THR 76 2HG2 THR 76 -9.914 26.742 -1.654 633 3HG2 THR 76 3HG2 THR 76 -8.198 26.972 -1.316 634 H GLY 77 H GLY 77 -7.158 30.554 -3.829 635 1HA GLY 77 1HA GLY 77 -6.303 31.638 -5.788 636 2HA GLY 77 2HA GLY 77 -6.910 30.299 -6.749 637 H PHE 78 H PHE 78 -9.339 30.049 -6.737 638 HA PHE 78 HA PHE 78 -10.501 32.565 -7.474 639 1HB PHE 78 1HB PHE 78 -10.931 29.943 -8.207 640 2HB PHE 78 2HB PHE 78 -12.344 30.299 -7.218 641 HD1 PHE 78 HD1 PHE 78 -13.732 32.336 -7.812 642 HD2 PHE 78 HD2 PHE 78 -10.790 30.691 -10.409 643 HE1 PHE 78 HE1 PHE 78 -14.778 33.488 -9.720 644 HE2 PHE 78 HE2 PHE 78 -11.830 31.838 -12.320 645 HZ PHE 78 HZ PHE 78 -13.826 33.239 -11.977 646 H GLN 79 H GLN 79 -11.625 33.906 -6.229 647 HA GLN 79 HA GLN 79 -12.019 33.409 -3.471 648 1HB GLN 79 1HB GLN 79 -12.214 35.628 -5.243 649 2HB GLN 79 2HB GLN 79 -13.723 35.527 -4.348 650 1HG GLN 79 1HG GLN 79 -12.597 36.767 -2.857 651 2HG GLN 79 2HG GLN 79 -11.987 35.199 -2.334 652 1HE2 GLN 79 1HE2 GLN 79 -9.531 37.446 -4.725 653 2HE2 GLN 79 2HE2 GLN 79 -11.230 37.373 -5.036 Start of MODEL 45 1 1H MET 1 1H MET 1 -14.285 9.057 -2.414 2 2H MET 1 2H MET 1 -13.261 10.368 -2.837 3 3H MET 1 3H MET 1 -12.593 8.928 -2.183 4 HA MET 1 HA MET 1 -12.568 10.311 -0.414 5 1HB MET 1 1HB MET 1 -14.536 11.786 0.110 6 2HB MET 1 2HB MET 1 -13.698 12.180 -1.383 7 1HG MET 1 1HG MET 1 -15.701 10.372 -2.107 8 2HG MET 1 2HG MET 1 -16.449 11.477 -0.957 9 1HE MET 1 1HE MET 1 -17.823 13.565 -3.705 10 2HE MET 1 2HE MET 1 -17.911 11.804 -3.672 11 3HE MET 1 3HE MET 1 -18.030 12.722 -2.171 12 H ASP 2 H ASP 2 -13.714 7.607 -1.028 13 HA ASP 2 HA ASP 2 -15.262 7.290 1.458 14 1HB ASP 2 1HB ASP 2 -15.717 6.106 -1.258 15 2HB ASP 2 2HB ASP 2 -16.211 5.210 0.175 16 H ARG 3 H ARG 3 -12.838 6.021 -0.709 17 HA ARG 3 HA ARG 3 -12.263 3.769 1.042 18 1HB ARG 3 1HB ARG 3 -12.064 4.222 -1.724 19 2HB ARG 3 2HB ARG 3 -10.409 4.109 -1.148 20 1HG ARG 3 1HG ARG 3 -10.724 1.912 -1.464 21 2HG ARG 3 2HG ARG 3 -11.506 1.994 0.117 22 1HD ARG 3 1HD ARG 3 -13.653 2.502 -1.173 23 2HD ARG 3 2HD ARG 3 -12.776 1.963 -2.603 24 HE ARG 3 HE ARG 3 -13.085 0.222 -0.250 25 1HH1 ARG 3 1HH1 ARG 3 -13.929 -0.841 -4.019 26 2HH1 ARG 3 2HH1 ARG 3 -13.461 0.789 -3.684 27 1HH2 ARG 3 1HH2 ARG 3 -14.069 -2.372 -2.334 28 2HH2 ARG 3 2HH2 ARG 3 -13.707 -1.913 -0.704 29 H VAL 4 H VAL 4 -11.403 4.745 2.855 30 HA VAL 4 HA VAL 4 -8.742 5.939 2.466 31 HB VAL 4 HB VAL 4 -9.157 7.431 4.398 32 1HG1 VAL 4 1HG1 VAL 4 -11.288 8.486 2.866 33 2HG1 VAL 4 2HG1 VAL 4 -9.582 8.933 2.822 34 3HG1 VAL 4 3HG1 VAL 4 -10.191 7.670 1.752 35 1HG2 VAL 4 1HG2 VAL 4 -10.900 6.215 5.526 36 2HG2 VAL 4 2HG2 VAL 4 -11.505 7.815 5.097 37 3HG2 VAL 4 3HG2 VAL 4 -11.982 6.406 4.147 38 H LEU 5 H LEU 5 -7.201 4.915 3.514 39 HA LEU 5 HA LEU 5 -7.865 2.907 5.488 40 1HB LEU 5 1HB LEU 5 -5.284 2.593 5.381 41 2HB LEU 5 2HB LEU 5 -6.323 1.992 4.121 42 HG LEU 5 HG LEU 5 -5.718 3.794 2.677 43 1HD1 LEU 5 1HD1 LEU 5 -3.591 5.028 4.038 44 2HD1 LEU 5 2HD1 LEU 5 -5.070 5.742 3.398 45 3HD1 LEU 5 3HD1 LEU 5 -5.028 5.122 5.044 46 1HD2 LEU 5 1HD2 LEU 5 -4.016 1.798 3.548 47 2HD2 LEU 5 2HD2 LEU 5 -3.900 2.711 2.043 48 3HD2 LEU 5 3HD2 LEU 5 -3.010 3.245 3.471 49 H SER 6 H SER 6 -7.061 2.756 7.558 50 HA SER 6 HA SER 6 -6.656 5.343 8.829 51 1HB SER 6 1HB SER 6 -7.200 4.257 10.885 52 2HB SER 6 2HB SER 6 -8.312 3.615 9.675 53 HG SER 6 HG SER 6 -6.739 1.849 9.465 54 H ARG 7 H ARG 7 -5.192 4.978 10.975 55 HA ARG 7 HA ARG 7 -2.545 4.992 10.093 56 1HB ARG 7 1HB ARG 7 -3.299 6.058 12.185 57 2HB ARG 7 2HB ARG 7 -3.574 4.471 12.890 58 1HG ARG 7 1HG ARG 7 -1.192 3.970 12.707 59 2HG ARG 7 2HG ARG 7 -0.913 5.557 11.989 60 1HD ARG 7 1HD ARG 7 -1.725 4.879 14.796 61 2HD ARG 7 2HD ARG 7 -0.342 5.817 14.244 62 HE ARG 7 HE ARG 7 -1.823 7.629 13.758 63 1HH1 ARG 7 1HH1 ARG 7 -4.609 5.970 16.109 64 2HH1 ARG 7 2HH1 ARG 7 -3.311 4.995 15.513 65 1HH2 ARG 7 1HH2 ARG 7 -4.736 8.182 15.563 66 2HH2 ARG 7 2HH2 ARG 7 -3.529 8.901 14.549 67 H ALA 8 H ALA 8 -4.561 2.404 11.291 68 HA ALA 8 HA ALA 8 -2.482 0.514 11.711 69 1HB ALA 8 1HB ALA 8 -4.215 -0.350 12.810 70 2HB ALA 8 2HB ALA 8 -5.382 0.563 11.855 71 3HB ALA 8 3HB ALA 8 -4.756 -0.969 11.248 72 H ASP 9 H ASP 9 -4.455 1.381 8.920 73 HA ASP 9 HA ASP 9 -3.504 -0.893 7.397 74 1HB ASP 9 1HB ASP 9 -5.077 1.474 6.401 75 2HB ASP 9 2HB ASP 9 -4.936 -0.100 5.642 76 H LYS 10 H LYS 10 -3.107 2.663 7.254 77 HA LYS 10 HA LYS 10 -1.346 2.658 5.066 78 1HB LYS 10 1HB LYS 10 -0.724 4.913 5.732 79 2HB LYS 10 2HB LYS 10 -2.461 4.695 5.868 80 1HG LYS 10 1HG LYS 10 -2.451 4.893 8.126 81 2HG LYS 10 2HG LYS 10 -0.828 4.225 8.295 82 1HD LYS 10 1HD LYS 10 0.074 6.263 8.310 83 2HD LYS 10 2HD LYS 10 -0.764 6.702 6.820 84 1HE LYS 10 1HE LYS 10 -1.703 8.227 8.225 85 2HE LYS 10 2HE LYS 10 -2.824 6.890 8.478 86 1HZ LYS 10 1HZ LYS 10 -1.157 8.169 10.354 87 2HZ LYS 10 2HZ LYS 10 -2.317 6.967 10.617 88 3HZ LYS 10 3HZ LYS 10 -0.721 6.536 10.259 89 H GLU 11 H GLU 11 -0.807 2.164 8.499 90 HA GLU 11 HA GLU 11 2.034 2.348 8.394 91 1HB GLU 11 1HB GLU 11 2.038 1.460 10.612 92 2HB GLU 11 2HB GLU 11 0.646 2.526 10.491 93 1HG GLU 11 1HG GLU 11 -0.591 0.872 11.282 94 2HG GLU 11 2HG GLU 11 -0.311 0.014 9.769 95 H ARG 12 H ARG 12 -0.297 -0.137 7.742 96 HA ARG 12 HA ARG 12 1.454 -2.369 7.802 97 1HB ARG 12 1HB ARG 12 -1.004 -2.570 7.920 98 2HB ARG 12 2HB ARG 12 -1.128 -1.966 6.274 99 1HG ARG 12 1HG ARG 12 -1.366 -4.405 6.422 100 2HG ARG 12 2HG ARG 12 0.000 -3.909 5.423 101 1HD ARG 12 1HD ARG 12 1.490 -4.883 6.785 102 2HD ARG 12 2HD ARG 12 0.688 -4.281 8.234 103 HE ARG 12 HE ARG 12 -0.590 -6.503 6.859 104 1HH1 ARG 12 1HH1 ARG 12 1.232 -6.897 10.406 105 2HH1 ARG 12 2HH1 ARG 12 1.462 -5.449 9.486 106 1HH2 ARG 12 1HH2 ARG 12 -0.093 -8.574 9.601 107 2HH2 ARG 12 2HH2 ARG 12 -0.882 -8.405 8.069 108 H LEU 13 H LEU 13 0.587 0.028 5.421 109 HA LEU 13 HA LEU 13 1.690 -1.234 3.140 110 1HB LEU 13 1HB LEU 13 0.126 0.545 2.858 111 2HB LEU 13 2HB LEU 13 1.089 1.637 3.828 112 HG LEU 13 HG LEU 13 2.843 1.121 1.838 113 1HD1 LEU 13 1HD1 LEU 13 1.915 0.632 -0.166 114 2HD1 LEU 13 2HD1 LEU 13 0.734 -0.195 0.850 115 3HD1 LEU 13 3HD1 LEU 13 0.385 1.418 0.226 116 1HD2 LEU 13 1HD2 LEU 13 1.680 3.282 2.805 117 2HD2 LEU 13 2HD2 LEU 13 2.520 3.306 1.254 118 3HD2 LEU 13 3HD2 LEU 13 0.760 3.177 1.301 119 H LEU 14 H LEU 14 2.964 0.845 5.649 120 HA LEU 14 HA LEU 14 5.469 1.363 4.420 121 1HB LEU 14 1HB LEU 14 4.377 1.616 7.192 122 2HB LEU 14 2HB LEU 14 6.096 1.821 6.916 123 HG LEU 14 HG LEU 14 3.851 3.486 5.787 124 1HD1 LEU 14 1HD1 LEU 14 6.065 4.802 7.133 125 2HD1 LEU 14 2HD1 LEU 14 4.326 4.977 7.370 126 3HD1 LEU 14 3HD1 LEU 14 5.200 3.674 8.177 127 1HD2 LEU 14 1HD2 LEU 14 5.145 3.928 4.036 128 2HD2 LEU 14 2HD2 LEU 14 6.295 4.672 5.145 129 3HD2 LEU 14 3HD2 LEU 14 6.472 2.975 4.698 130 H GLU 15 H GLU 15 4.273 -1.123 6.601 131 HA GLU 15 HA GLU 15 6.687 -2.292 7.351 132 1HB GLU 15 1HB GLU 15 4.029 -2.825 7.798 133 2HB GLU 15 2HB GLU 15 4.525 -4.208 6.832 134 1HG GLU 15 1HG GLU 15 6.537 -3.822 8.752 135 2HG GLU 15 2HG GLU 15 4.999 -3.665 9.597 136 H LEU 16 H LEU 16 4.651 -2.881 4.519 137 HA LEU 16 HA LEU 16 6.450 -4.859 3.443 138 1HB LEU 16 1HB LEU 16 3.930 -3.545 2.489 139 2HB LEU 16 2HB LEU 16 4.911 -4.483 1.379 140 HG LEU 16 HG LEU 16 4.690 -6.424 2.975 141 1HD1 LEU 16 1HD1 LEU 16 2.994 -4.411 4.355 142 2HD1 LEU 16 2HD1 LEU 16 2.482 -6.099 4.372 143 3HD1 LEU 16 3HD1 LEU 16 4.056 -5.648 5.027 144 1HD2 LEU 16 1HD2 LEU 16 3.310 -6.866 1.259 145 2HD2 LEU 16 2HD2 LEU 16 2.034 -6.453 2.405 146 3HD2 LEU 16 3HD2 LEU 16 2.621 -5.243 1.263 147 H LEU 17 H LEU 17 6.247 -1.461 3.424 148 HA LEU 17 HA LEU 17 7.672 -1.133 0.917 149 1HB LEU 17 1HB LEU 17 6.294 0.645 2.830 150 2HB LEU 17 2HB LEU 17 7.646 1.340 1.963 151 HG LEU 17 HG LEU 17 5.342 1.706 0.972 152 1HD1 LEU 17 1HD1 LEU 17 6.151 1.562 -1.276 153 2HD1 LEU 17 2HD1 LEU 17 7.489 2.023 -0.224 154 3HD1 LEU 17 3HD1 LEU 17 7.360 0.365 -0.811 155 1HD2 LEU 17 1HD2 LEU 17 4.090 -0.150 0.839 156 2HD2 LEU 17 2HD2 LEU 17 4.995 -0.449 -0.645 157 3HD2 LEU 17 3HD2 LEU 17 5.489 -1.223 0.858 158 H LYS 18 H LYS 18 8.531 -1.763 4.106 159 HA LYS 18 HA LYS 18 10.494 -1.596 5.265 160 1HB LYS 18 1HB LYS 18 11.189 -2.041 2.477 161 2HB LYS 18 2HB LYS 18 12.443 -1.161 3.334 162 1HG LYS 18 1HG LYS 18 12.997 -2.934 4.626 163 2HG LYS 18 2HG LYS 18 11.340 -3.534 4.700 164 1HD LYS 18 1HD LYS 18 11.532 -4.707 2.738 165 2HD LYS 18 2HD LYS 18 12.777 -3.634 2.093 166 1HE LYS 18 1HE LYS 18 13.592 -5.067 4.505 167 2HE LYS 18 2HE LYS 18 13.205 -6.127 3.152 168 1HZ LYS 18 1HZ LYS 18 14.816 -3.880 2.387 169 2HZ LYS 18 2HZ LYS 18 15.571 -4.856 3.543 170 3HZ LYS 18 3HZ LYS 18 15.048 -5.529 2.083 171 H LEU 19 H LEU 19 8.989 0.826 4.288 172 HA LEU 19 HA LEU 19 11.088 2.856 4.553 173 1HB LEU 19 1HB LEU 19 9.748 2.872 2.466 174 2HB LEU 19 2HB LEU 19 8.296 3.087 3.421 175 HG LEU 19 HG LEU 19 10.313 5.127 3.961 176 1HD1 LEU 19 1HD1 LEU 19 9.199 5.968 1.509 177 2HD1 LEU 19 2HD1 LEU 19 10.896 5.686 1.895 178 3HD1 LEU 19 3HD1 LEU 19 9.915 4.380 1.230 179 1HD2 LEU 19 1HD2 LEU 19 7.393 4.902 3.464 180 2HD2 LEU 19 2HD2 LEU 19 8.259 5.674 4.794 181 3HD2 LEU 19 3HD2 LEU 19 8.161 6.470 3.222 182 HA PRO 20 HA PRO 20 9.448 3.097 8.768 183 1HB PRO 20 1HB PRO 20 11.039 5.613 8.591 184 2HB PRO 20 2HB PRO 20 11.007 4.388 9.864 185 1HG PRO 20 1HG PRO 20 13.024 4.504 8.127 186 2HG PRO 20 2HG PRO 20 12.393 2.948 8.697 187 1HD PRO 20 1HD PRO 20 12.044 4.287 6.067 188 2HD PRO 20 2HD PRO 20 12.109 2.558 6.456 189 H ARG 21 H ARG 21 8.351 4.784 10.049 190 HA ARG 21 HA ARG 21 6.475 6.241 8.375 191 1HB ARG 21 1HB ARG 21 5.275 6.622 10.559 192 2HB ARG 21 2HB ARG 21 5.429 4.942 10.067 193 1HG ARG 21 1HG ARG 21 7.297 4.656 11.618 194 2HG ARG 21 2HG ARG 21 7.142 6.344 12.111 195 1HD ARG 21 1HD ARG 21 5.771 5.596 13.704 196 2HD ARG 21 2HD ARG 21 4.590 5.373 12.416 197 HE ARG 21 HE ARG 21 6.407 3.235 13.329 198 1HH1 ARG 21 1HH1 ARG 21 2.549 2.737 12.369 199 2HH1 ARG 21 2HH1 ARG 21 3.244 4.318 12.292 200 1HH2 ARG 21 1HH2 ARG 21 3.813 0.950 13.013 201 2HH2 ARG 21 2HH2 ARG 21 5.481 1.164 13.429 202 H GLN 22 H GLN 22 9.372 6.880 9.848 203 HA GLN 22 HA GLN 22 8.879 9.491 10.891 204 1HB GLN 22 1HB GLN 22 10.885 7.724 11.191 205 2HB GLN 22 2HB GLN 22 11.600 8.759 9.963 206 1HG GLN 22 1HG GLN 22 10.455 10.412 11.971 207 2HG GLN 22 2HG GLN 22 11.442 9.178 12.754 208 1HE2 GLN 22 1HE2 GLN 22 13.232 12.337 11.323 209 2HE2 GLN 22 2HE2 GLN 22 11.586 12.207 11.831 210 H LEU 23 H LEU 23 9.908 8.181 7.824 211 HA LEU 23 HA LEU 23 10.123 10.881 6.719 212 1HB LEU 23 1HB LEU 23 11.392 9.985 4.929 213 2HB LEU 23 2HB LEU 23 12.027 9.302 6.407 214 HG LEU 23 HG LEU 23 12.035 7.601 4.731 215 1HD1 LEU 23 1HD1 LEU 23 9.647 6.998 6.447 216 2HD1 LEU 23 2HD1 LEU 23 10.782 5.851 5.739 217 3HD1 LEU 23 3HD1 LEU 23 11.309 6.936 7.031 218 1HD2 LEU 23 1HD2 LEU 23 10.111 8.832 3.477 219 2HD2 LEU 23 2HD2 LEU 23 10.351 7.100 3.286 220 3HD2 LEU 23 3HD2 LEU 23 9.094 7.700 4.367 221 H TRP 24 H TRP 24 7.703 8.968 7.266 222 HA TRP 24 HA TRP 24 6.416 8.286 4.918 223 1HB TRP 24 1HB TRP 24 5.547 7.585 7.039 224 2HB TRP 24 2HB TRP 24 5.327 9.247 7.567 225 HD1 TRP 24 HD1 TRP 24 3.124 10.500 6.788 226 HE1 TRP 24 HE1 TRP 24 0.930 9.669 5.728 227 HE3 TRP 24 HE3 TRP 24 4.630 5.835 5.355 228 HZ2 TRP 24 HZ2 TRP 24 -0.036 7.338 4.459 229 HZ3 TRP 24 HZ3 TRP 24 3.014 4.365 4.222 230 HH2 TRP 24 HH2 TRP 24 0.729 5.104 3.783 231 H GLY 25 H GLY 25 5.989 9.515 3.194 232 1HA GLY 25 1HA GLY 25 4.266 11.396 2.720 233 2HA GLY 25 2HA GLY 25 5.432 12.375 3.594 234 H ASP 26 H ASP 26 7.657 10.731 2.377 235 HA ASP 26 HA ASP 26 8.052 12.410 0.086 236 1HB ASP 26 1HB ASP 26 9.813 11.496 1.767 237 2HB ASP 26 2HB ASP 26 9.794 10.057 0.752 238 H PHE 27 H PHE 27 6.521 11.882 -1.455 239 HA PHE 27 HA PHE 27 5.678 9.416 -2.304 240 1HB PHE 27 1HB PHE 27 4.727 11.556 -3.079 241 2HB PHE 27 2HB PHE 27 6.159 11.818 -4.070 242 HD1 PHE 27 HD1 PHE 27 4.033 8.807 -3.502 243 HD2 PHE 27 HD2 PHE 27 5.557 11.645 -6.283 244 HE1 PHE 27 HE1 PHE 27 2.984 7.559 -5.343 245 HE2 PHE 27 HE2 PHE 27 4.508 10.403 -8.130 246 HZ PHE 27 HZ PHE 27 3.221 8.357 -7.661 247 H GLY 28 H GLY 28 8.691 11.028 -3.072 248 1HA GLY 28 1HA GLY 28 9.413 9.305 -5.226 249 2HA GLY 28 2HA GLY 28 10.491 10.381 -4.354 250 H ARG 29 H ARG 29 10.087 9.256 -1.752 251 HA ARG 29 HA ARG 29 11.864 7.000 -2.013 252 1HB ARG 29 1HB ARG 29 11.281 8.947 -0.010 253 2HB ARG 29 2HB ARG 29 11.073 7.349 0.694 254 1HG ARG 29 1HG ARG 29 13.528 8.154 -0.839 255 2HG ARG 29 2HG ARG 29 13.367 8.355 0.907 256 1HD ARG 29 1HD ARG 29 13.638 6.159 1.309 257 2HD ARG 29 2HD ARG 29 12.669 5.685 -0.086 258 HE ARG 29 HE ARG 29 14.602 5.411 -1.258 259 1HH1 ARG 29 1HH1 ARG 29 16.958 7.587 1.139 260 2HH1 ARG 29 2HH1 ARG 29 15.255 7.518 1.445 261 1HH2 ARG 29 1HH2 ARG 29 17.858 6.445 -0.624 262 2HH2 ARG 29 2HH2 ARG 29 16.840 5.504 -1.663 263 H MET 30 H MET 30 8.547 7.537 -0.872 264 HA MET 30 HA MET 30 8.118 4.926 0.089 265 1HB MET 30 1HB MET 30 5.729 5.454 -0.030 266 2HB MET 30 2HB MET 30 6.645 6.773 0.683 267 1HG MET 30 1HG MET 30 6.592 7.938 -1.486 268 2HG MET 30 2HG MET 30 5.596 6.637 -2.133 269 1HE MET 30 1HE MET 30 4.670 7.548 1.687 270 2HE MET 30 2HE MET 30 5.922 8.630 1.076 271 3HE MET 30 3HE MET 30 4.305 9.251 1.409 272 H GLN 31 H GLN 31 7.428 6.384 -3.085 273 HA GLN 31 HA GLN 31 6.299 4.045 -4.206 274 1HB GLN 31 1HB GLN 31 6.203 6.489 -5.058 275 2HB GLN 31 2HB GLN 31 7.737 6.120 -5.834 276 1HG GLN 31 1HG GLN 31 6.733 4.379 -7.132 277 2HG GLN 31 2HG GLN 31 5.218 4.533 -6.251 278 1HE2 GLN 31 1HE2 GLN 31 4.110 6.487 -8.902 279 2HE2 GLN 31 2HE2 GLN 31 3.975 5.009 -8.017 280 H GLN 32 H GLN 32 9.590 5.270 -3.993 281 HA GLN 32 HA GLN 32 10.824 3.521 -5.800 282 1HB GLN 32 1HB GLN 32 11.678 5.249 -3.575 283 2HB GLN 32 2HB GLN 32 12.739 3.881 -3.878 284 1HG GLN 32 1HG GLN 32 12.463 4.736 -6.381 285 2HG GLN 32 2HG GLN 32 12.183 6.259 -5.541 286 1HE2 GLN 32 1HE2 GLN 32 15.845 5.485 -6.300 287 2HE2 GLN 32 2HE2 GLN 32 14.421 5.210 -7.240 288 H ALA 33 H ALA 33 9.841 3.129 -2.464 289 HA ALA 33 HA ALA 33 11.145 0.599 -2.103 290 1HB ALA 33 1HB ALA 33 9.474 2.399 -0.500 291 2HB ALA 33 2HB ALA 33 9.241 0.686 -0.155 292 3HB ALA 33 3HB ALA 33 10.847 1.402 -0.024 293 H TYR 34 H TYR 34 7.900 1.705 -2.935 294 HA TYR 34 HA TYR 34 6.530 -0.709 -2.755 295 1HB TYR 34 1HB TYR 34 5.445 1.493 -3.119 296 2HB TYR 34 2HB TYR 34 6.056 1.501 -4.771 297 HD1 TYR 34 HD1 TYR 34 3.321 0.622 -2.694 298 HD2 TYR 34 HD2 TYR 34 5.391 -0.552 -6.232 299 HE1 TYR 34 HE1 TYR 34 1.357 -0.668 -3.430 300 HE2 TYR 34 HE2 TYR 34 3.419 -1.820 -6.973 301 HH TYR 34 HH TYR 34 0.996 -2.742 -5.039 302 H LYS 35 H LYS 35 8.350 0.662 -5.474 303 HA LYS 35 HA LYS 35 7.805 -1.537 -7.221 304 1HB LYS 35 1HB LYS 35 9.606 0.851 -7.300 305 2HB LYS 35 2HB LYS 35 9.885 -0.461 -8.434 306 1HG LYS 35 1HG LYS 35 7.808 -0.163 -9.470 307 2HG LYS 35 2HG LYS 35 7.187 0.812 -8.136 308 1HD LYS 35 1HD LYS 35 9.541 2.059 -9.154 309 2HD LYS 35 2HD LYS 35 8.475 1.683 -10.509 310 1HE LYS 35 1HE LYS 35 6.917 3.179 -9.867 311 2HE LYS 35 2HE LYS 35 7.146 2.833 -8.155 312 1HZ LYS 35 1HZ LYS 35 9.410 4.144 -9.309 313 2HZ LYS 35 2HZ LYS 35 8.000 5.063 -9.474 314 3HZ LYS 35 3HZ LYS 35 8.508 4.561 -7.940 315 H GLN 36 H GLN 36 10.254 -0.777 -4.865 316 HA GLN 36 HA GLN 36 12.158 -2.724 -5.708 317 1HB GLN 36 1HB GLN 36 11.770 -1.034 -3.270 318 2HB GLN 36 2HB GLN 36 12.909 -2.371 -3.208 319 1HG GLN 36 1HG GLN 36 13.039 -0.332 -5.394 320 2HG GLN 36 2HG GLN 36 13.777 -0.038 -3.820 321 1HE2 GLN 36 1HE2 GLN 36 16.639 -1.405 -5.293 322 2HE2 GLN 36 2HE2 GLN 36 15.824 0.036 -4.800 323 H GLN 37 H GLN 37 9.445 -2.713 -3.483 324 HA GLN 37 HA GLN 37 10.047 -5.398 -2.545 325 1HB GLN 37 1HB GLN 37 7.802 -3.486 -1.899 326 2HB GLN 37 2HB GLN 37 7.985 -5.076 -1.171 327 1HG GLN 37 1HG GLN 37 10.280 -3.199 -1.040 328 2HG GLN 37 2HG GLN 37 8.891 -2.900 0.003 329 1HE2 GLN 37 1HE2 GLN 37 11.603 -5.633 0.999 330 2HE2 GLN 37 2HE2 GLN 37 11.796 -4.467 -0.261 331 H SER 38 H SER 38 8.181 -3.879 -4.980 332 HA SER 38 HA SER 38 6.211 -5.942 -5.261 333 1HB SER 38 1HB SER 38 6.939 -3.446 -6.689 334 2HB SER 38 2HB SER 38 6.148 -4.689 -7.657 335 HG SER 38 HG SER 38 4.543 -3.462 -6.767 336 H LEU 39 H LEU 39 9.385 -5.282 -6.550 337 HA LEU 39 HA LEU 39 9.291 -7.099 -8.723 338 1HB LEU 39 1HB LEU 39 11.276 -5.410 -7.417 339 2HB LEU 39 2HB LEU 39 11.954 -6.918 -8.001 340 HG LEU 39 HG LEU 39 10.240 -5.603 -9.969 341 1HD1 LEU 39 1HD1 LEU 39 11.933 -3.906 -8.482 342 2HD1 LEU 39 2HD1 LEU 39 12.695 -4.154 -10.053 343 3HD1 LEU 39 3HD1 LEU 39 11.045 -3.541 -9.960 344 1HD2 LEU 39 1HD2 LEU 39 12.644 -7.220 -9.822 345 2HD2 LEU 39 2HD2 LEU 39 11.476 -7.045 -11.131 346 3HD2 LEU 39 3HD2 LEU 39 12.802 -5.894 -10.974 347 H LEU 40 H LEU 40 10.042 -7.461 -5.322 348 HA LEU 40 HA LEU 40 11.047 -10.160 -5.729 349 1HB LEU 40 1HB LEU 40 11.530 -10.178 -3.370 350 2HB LEU 40 2HB LEU 40 12.131 -8.693 -4.082 351 HG LEU 40 HG LEU 40 9.692 -7.874 -3.230 352 1HD1 LEU 40 1HD1 LEU 40 10.611 -10.046 -1.365 353 2HD1 LEU 40 2HD1 LEU 40 9.517 -8.751 -0.876 354 3HD1 LEU 40 3HD1 LEU 40 9.041 -9.876 -2.149 355 1HD2 LEU 40 1HD2 LEU 40 11.697 -6.657 -2.809 356 2HD2 LEU 40 2HD2 LEU 40 10.926 -6.960 -1.252 357 3HD2 LEU 40 3HD2 LEU 40 12.314 -7.927 -1.752 358 H LEU 41 H LEU 41 8.077 -8.610 -5.082 359 HA LEU 41 HA LEU 41 6.894 -11.005 -3.898 360 1HB LEU 41 1HB LEU 41 5.976 -8.177 -4.261 361 2HB LEU 41 2HB LEU 41 4.810 -9.446 -3.941 362 HG LEU 41 HG LEU 41 7.108 -8.648 -2.155 363 1HD1 LEU 41 1HD1 LEU 41 5.422 -7.015 -1.969 364 2HD1 LEU 41 2HD1 LEU 41 4.138 -8.222 -2.023 365 3HD1 LEU 41 3HD1 LEU 41 5.179 -8.106 -0.604 366 1HD2 LEU 41 1HD2 LEU 41 5.063 -10.845 -1.921 367 2HD2 LEU 41 2HD2 LEU 41 6.820 -10.992 -1.914 368 3HD2 LEU 41 3HD2 LEU 41 5.994 -10.236 -0.552 369 H HIS 42 H HIS 42 7.540 -9.914 -6.943 370 HA HIS 42 HA HIS 42 5.075 -10.517 -8.249 371 1HB HIS 42 1HB HIS 42 7.066 -9.016 -9.037 372 2HB HIS 42 2HB HIS 42 7.732 -10.528 -9.643 373 HD1 HIS 42 HD1 HIS 42 4.765 -8.242 -10.103 374 HD2 HIS 42 HD2 HIS 42 6.643 -11.424 -12.004 375 HE1 HIS 42 HE1 HIS 42 3.660 -8.425 -12.354 376 HE2 HIS 42 HE2 HIS 42 4.879 -10.296 -13.522 377 HA PRO 43 HA PRO 43 5.079 -14.927 -8.450 378 1HB PRO 43 1HB PRO 43 4.502 -14.470 -11.344 379 2HB PRO 43 2HB PRO 43 3.665 -15.502 -10.180 380 1HG PRO 43 1HG PRO 43 2.641 -13.150 -10.925 381 2HG PRO 43 2HG PRO 43 2.486 -13.740 -9.260 382 1HD PRO 43 1HD PRO 43 4.219 -11.588 -10.349 383 2HD PRO 43 2HD PRO 43 3.516 -11.767 -8.732 384 H ASP 44 H ASP 44 6.900 -13.011 -10.760 385 HA ASP 44 HA ASP 44 8.441 -15.231 -11.745 386 1HB ASP 44 1HB ASP 44 8.434 -12.276 -12.164 387 2HB ASP 44 2HB ASP 44 9.887 -13.176 -12.589 388 H LYS 45 H LYS 45 8.644 -13.086 -9.063 389 HA LYS 45 HA LYS 45 11.417 -13.941 -8.557 390 1HB LYS 45 1HB LYS 45 9.969 -11.405 -8.114 391 2HB LYS 45 2HB LYS 45 11.039 -11.901 -6.810 392 1HG LYS 45 1HG LYS 45 12.198 -10.431 -8.327 393 2HG LYS 45 2HG LYS 45 12.896 -12.048 -8.407 394 1HD LYS 45 1HD LYS 45 12.730 -11.325 -10.642 395 2HD LYS 45 2HD LYS 45 11.378 -12.435 -10.411 396 1HE LYS 45 1HE LYS 45 9.918 -10.466 -9.978 397 2HE LYS 45 2HE LYS 45 11.278 -9.421 -10.384 398 1HZ LYS 45 1HZ LYS 45 10.865 -11.356 -12.416 399 2HZ LYS 45 2HZ LYS 45 9.433 -10.507 -12.124 400 3HZ LYS 45 3HZ LYS 45 10.844 -9.667 -12.529 401 H GLY 46 H GLY 46 9.000 -15.483 -7.968 402 1HA GLY 46 1HA GLY 46 8.159 -16.775 -6.268 403 2HA GLY 46 2HA GLY 46 9.653 -16.417 -5.414 404 H GLY 47 H GLY 47 6.449 -15.079 -6.154 405 1HA GLY 47 1HA GLY 47 6.398 -13.976 -3.425 406 2HA GLY 47 2HA GLY 47 5.990 -12.940 -4.785 407 H SER 48 H SER 48 4.268 -13.496 -2.617 408 HA SER 48 HA SER 48 2.316 -15.409 -3.613 409 1HB SER 48 1HB SER 48 2.804 -14.006 -1.054 410 2HB SER 48 2HB SER 48 1.112 -14.305 -1.451 411 HG SER 48 HG SER 48 1.685 -16.142 -0.486 412 H HIS 49 H HIS 49 0.184 -14.880 -4.163 413 HA HIS 49 HA HIS 49 -0.118 -12.441 -5.588 414 1HB HIS 49 1HB HIS 49 -1.842 -14.806 -5.010 415 2HB HIS 49 2HB HIS 49 -2.621 -13.333 -5.579 416 HD1 HIS 49 HD1 HIS 49 0.422 -13.149 -7.264 417 HD2 HIS 49 HD2 HIS 49 -2.887 -15.628 -7.674 418 HE1 HIS 49 HE1 HIS 49 0.548 -14.056 -9.604 419 HE2 HIS 49 HE2 HIS 49 -1.444 -15.582 -9.820 420 H ALA 50 H ALA 50 -1.623 -13.699 -2.621 421 HA ALA 50 HA ALA 50 -3.264 -11.521 -2.056 422 1HB ALA 50 1HB ALA 50 -3.391 -12.358 0.186 423 2HB ALA 50 2HB ALA 50 -3.336 -13.731 -0.920 424 3HB ALA 50 3HB ALA 50 -1.893 -13.266 -0.019 425 H LEU 51 H LEU 51 0.167 -11.869 -1.730 426 HA LEU 51 HA LEU 51 0.519 -9.731 0.146 427 1HB LEU 51 1HB LEU 51 2.251 -11.551 -1.400 428 2HB LEU 51 2HB LEU 51 2.948 -9.982 -1.043 429 HG LEU 51 HG LEU 51 2.259 -10.467 1.402 430 1HD1 LEU 51 1HD1 LEU 51 1.588 -12.521 2.016 431 2HD1 LEU 51 2HD1 LEU 51 1.059 -12.644 0.338 432 3HD1 LEU 51 3HD1 LEU 51 2.609 -13.327 0.825 433 1HD2 LEU 51 1HD2 LEU 51 4.343 -11.946 1.648 434 2HD2 LEU 51 2HD2 LEU 51 4.504 -11.771 -0.099 435 3HD2 LEU 51 3HD2 LEU 51 4.541 -10.345 0.938 436 H MET 52 H MET 52 1.063 -10.073 -3.358 437 HA MET 52 HA MET 52 1.825 -7.377 -3.755 438 1HB MET 52 1HB MET 52 1.668 -9.704 -5.318 439 2HB MET 52 2HB MET 52 0.615 -8.539 -6.109 440 1HG MET 52 1HG MET 52 3.470 -7.987 -5.337 441 2HG MET 52 2HG MET 52 2.957 -8.538 -6.931 442 1HE MET 52 1HE MET 52 3.071 -4.435 -5.216 443 2HE MET 52 2HE MET 52 1.758 -5.318 -4.436 444 3HE MET 52 3HE MET 52 3.393 -5.979 -4.425 445 H GLN 53 H GLN 53 -1.255 -8.969 -3.547 446 HA GLN 53 HA GLN 53 -2.777 -6.909 -4.813 447 1HB GLN 53 1HB GLN 53 -3.536 -9.191 -2.991 448 2HB GLN 53 2HB GLN 53 -4.716 -8.070 -3.652 449 1HG GLN 53 1HG GLN 53 -2.895 -9.861 -5.242 450 2HG GLN 53 2HG GLN 53 -4.613 -10.121 -4.948 451 1HE2 GLN 53 1HE2 GLN 53 -5.432 -7.155 -6.974 452 2HE2 GLN 53 2HE2 GLN 53 -5.666 -7.655 -5.338 453 H GLU 54 H GLU 54 -1.799 -7.634 -1.520 454 HA GLU 54 HA GLU 54 -3.459 -5.794 -0.191 455 1HB GLU 54 1HB GLU 54 -1.434 -7.631 0.506 456 2HB GLU 54 2HB GLU 54 -0.923 -6.074 1.143 457 1HG GLU 54 1HG GLU 54 -3.687 -6.421 1.718 458 2HG GLU 54 2HG GLU 54 -2.824 -7.880 2.199 459 H LEU 55 H LEU 55 -0.022 -5.493 -1.118 460 HA LEU 55 HA LEU 55 0.355 -2.866 -0.318 461 1HB LEU 55 1HB LEU 55 1.969 -4.709 -1.297 462 2HB LEU 55 2HB LEU 55 1.670 -3.862 -2.801 463 HG LEU 55 HG LEU 55 2.608 -1.831 -1.928 464 1HD1 LEU 55 1HD1 LEU 55 3.731 -2.442 0.524 465 2HD1 LEU 55 2HD1 LEU 55 2.336 -1.403 0.240 466 3HD1 LEU 55 3HD1 LEU 55 2.100 -3.107 0.626 467 1HD2 LEU 55 1HD2 LEU 55 4.066 -4.335 -1.977 468 2HD2 LEU 55 2HD2 LEU 55 4.507 -2.757 -2.631 469 3HD2 LEU 55 3HD2 LEU 55 4.837 -3.135 -0.940 470 H ASN 56 H ASN 56 -0.881 -4.124 -3.383 471 HA ASN 56 HA ASN 56 -0.967 -1.677 -4.769 472 1HB ASN 56 1HB ASN 56 -1.927 -4.388 -5.169 473 2HB ASN 56 2HB ASN 56 -3.089 -3.202 -5.756 474 1HD2 ASN 56 1HD2 ASN 56 0.384 -3.877 -7.701 475 2HD2 ASN 56 2HD2 ASN 56 -0.004 -4.650 -6.206 476 H SER 57 H SER 57 -3.123 -3.140 -2.447 477 HA SER 57 HA SER 57 -5.298 -1.327 -2.966 478 1HB SER 57 1HB SER 57 -5.071 -3.781 -1.700 479 2HB SER 57 2HB SER 57 -5.355 -2.661 -0.369 480 HG SER 57 HG SER 57 -7.047 -3.486 -2.362 481 H LEU 58 H LEU 58 -2.767 -1.649 -0.506 482 HA LEU 58 HA LEU 58 -3.701 0.589 1.017 483 1HB LEU 58 1HB LEU 58 -1.110 -0.950 1.059 484 2HB LEU 58 2HB LEU 58 -1.452 0.387 2.136 485 HG LEU 58 HG LEU 58 -3.177 -2.076 2.010 486 1HD1 LEU 58 1HD1 LEU 58 -0.646 -2.302 2.703 487 2HD1 LEU 58 2HD1 LEU 58 -1.236 -1.615 4.216 488 3HD1 LEU 58 3HD1 LEU 58 -1.920 -3.123 3.605 489 1HD2 LEU 58 1HD2 LEU 58 -3.809 -1.268 4.300 490 2HD2 LEU 58 2HD2 LEU 58 -2.921 0.214 3.952 491 3HD2 LEU 58 3HD2 LEU 58 -4.323 -0.222 2.977 492 H TRP 59 H TRP 59 -1.430 0.121 -1.602 493 HA TRP 59 HA TRP 59 -0.402 2.829 -1.373 494 1HB TRP 59 1HB TRP 59 1.217 1.167 -1.979 495 2HB TRP 59 2HB TRP 59 0.177 0.540 -3.249 496 HD1 TRP 59 HD1 TRP 59 0.572 1.447 -5.618 497 HE1 TRP 59 HE1 TRP 59 1.993 3.332 -6.642 498 HE3 TRP 59 HE3 TRP 59 2.181 3.701 -1.312 499 HZ2 TRP 59 HZ2 TRP 59 3.584 5.477 -5.752 500 HZ3 TRP 59 HZ3 TRP 59 3.657 5.654 -1.495 501 HH2 TRP 59 HH2 TRP 59 4.343 6.525 -3.666 502 H GLY 60 H GLY 60 -2.858 1.065 -3.017 503 1HA GLY 60 1HA GLY 60 -3.148 2.799 -5.267 504 2HA GLY 60 2HA GLY 60 -4.323 1.621 -4.705 505 H THR 61 H THR 61 -5.265 2.355 -2.402 506 HA THR 61 HA THR 61 -6.862 4.610 -2.880 507 HB THR 61 HB THR 61 -6.876 2.643 -0.994 508 HG1 THR 61 HG1 THR 61 -8.755 3.512 -0.585 509 1HG2 THR 61 1HG2 THR 61 -5.997 5.098 0.466 510 2HG2 THR 61 2HG2 THR 61 -6.840 3.739 1.204 511 3HG2 THR 61 3HG2 THR 61 -5.248 3.499 0.483 512 H PHE 62 H PHE 62 -4.046 4.097 -0.895 513 HA PHE 62 HA PHE 62 -3.494 6.534 0.207 514 1HB PHE 62 1HB PHE 62 -2.115 4.547 0.542 515 2HB PHE 62 2HB PHE 62 -1.609 4.589 -1.145 516 HD1 PHE 62 HD1 PHE 62 -1.843 7.675 0.801 517 HD2 PHE 62 HD2 PHE 62 0.721 4.538 -0.531 518 HE1 PHE 62 HE1 PHE 62 0.120 9.015 1.434 519 HE2 PHE 62 HE2 PHE 62 2.683 5.879 0.106 520 HZ PHE 62 HZ PHE 62 2.385 8.115 1.083 521 H LYS 63 H LYS 63 -2.604 5.383 -2.987 522 HA LYS 63 HA LYS 63 -1.335 7.654 -3.980 523 1HB LYS 63 1HB LYS 63 -2.106 5.105 -4.885 524 2HB LYS 63 2HB LYS 63 -2.799 6.233 -6.020 525 1HG LYS 63 1HG LYS 63 -0.599 7.202 -6.421 526 2HG LYS 63 2HG LYS 63 0.104 6.096 -5.241 527 1HD LYS 63 1HD LYS 63 -1.052 5.485 -7.943 528 2HD LYS 63 2HD LYS 63 0.544 5.086 -7.307 529 1HE LYS 63 1HE LYS 63 -0.636 3.575 -5.648 530 2HE LYS 63 2HE LYS 63 -2.102 3.839 -6.587 531 1HZ LYS 63 1HZ LYS 63 -0.855 3.004 -8.555 532 2HZ LYS 63 2HZ LYS 63 0.407 2.565 -7.520 533 3HZ LYS 63 3HZ LYS 63 -1.111 1.842 -7.351 534 H THR 64 H THR 64 -4.769 6.753 -3.976 535 HA THR 64 HA THR 64 -5.812 8.613 -5.710 536 HB THR 64 HB THR 64 -6.983 7.850 -3.023 537 HG1 THR 64 HG1 THR 64 -6.435 6.237 -4.901 538 1HG2 THR 64 1HG2 THR 64 -8.462 8.697 -5.491 539 2HG2 THR 64 2HG2 THR 64 -9.117 8.388 -3.883 540 3HG2 THR 64 3HG2 THR 64 -8.079 9.787 -4.158 541 H GLU 65 H GLU 65 -4.661 9.042 -2.438 542 HA GLU 65 HA GLU 65 -5.337 11.861 -2.388 543 1HB GLU 65 1HB GLU 65 -3.592 10.460 -0.377 544 2HB GLU 65 2HB GLU 65 -4.615 11.870 -0.146 545 1HG GLU 65 1HG GLU 65 -5.986 9.371 -0.911 546 2HG GLU 65 2HG GLU 65 -5.261 9.415 0.694 547 H VAL 66 H VAL 66 -2.589 9.770 -2.937 548 HA VAL 66 HA VAL 66 -0.494 11.537 -2.678 549 HB VAL 66 HB VAL 66 -0.790 9.251 -4.606 550 1HG1 VAL 66 1HG1 VAL 66 1.286 9.555 -5.424 551 2HG1 VAL 66 2HG1 VAL 66 1.064 11.228 -4.917 552 3HG1 VAL 66 3HG1 VAL 66 1.922 10.098 -3.872 553 1HG2 VAL 66 1HG2 VAL 66 0.643 9.516 -1.964 554 2HG2 VAL 66 2HG2 VAL 66 -0.870 8.657 -2.242 555 3HG2 VAL 66 3HG2 VAL 66 0.619 8.075 -2.982 556 H TYR 67 H TYR 67 -2.663 11.053 -5.413 557 HA TYR 67 HA TYR 67 -1.321 12.722 -7.240 558 1HB TYR 67 1HB TYR 67 -3.350 11.053 -7.536 559 2HB TYR 67 2HB TYR 67 -4.305 12.508 -7.274 560 HD1 TYR 67 HD1 TYR 67 -1.168 11.792 -9.184 561 HD2 TYR 67 HD2 TYR 67 -5.142 13.303 -9.266 562 HE1 TYR 67 HE1 TYR 67 -0.882 12.396 -11.550 563 HE2 TYR 67 HE2 TYR 67 -4.870 13.911 -11.633 564 HH TYR 67 HH TYR 67 -3.299 13.004 -13.597 565 H ASN 68 H ASN 68 -3.487 13.365 -4.599 566 HA ASN 68 HA ASN 68 -3.848 16.148 -5.357 567 1HB ASN 68 1HB ASN 68 -5.024 14.329 -3.308 568 2HB ASN 68 2HB ASN 68 -5.051 16.061 -2.992 569 1HD2 ASN 68 1HD2 ASN 68 -7.546 14.383 -5.679 570 2HD2 ASN 68 2HD2 ASN 68 -6.344 13.474 -4.835 571 H LEU 69 H LEU 69 -1.814 14.248 -3.286 572 HA LEU 69 HA LEU 69 -1.176 16.213 -1.371 573 1HB LEU 69 1HB LEU 69 0.397 14.755 -0.572 574 2HB LEU 69 2HB LEU 69 -0.615 13.650 -1.473 575 HG LEU 69 HG LEU 69 1.104 14.089 -3.406 576 1HD1 LEU 69 1HD1 LEU 69 2.718 14.775 -0.950 577 2HD1 LEU 69 2HD1 LEU 69 3.378 14.447 -2.552 578 3HD1 LEU 69 3HD1 LEU 69 2.355 15.856 -2.293 579 1HD2 LEU 69 1HD2 LEU 69 0.839 12.156 -1.347 580 2HD2 LEU 69 2HD2 LEU 69 1.511 11.955 -2.963 581 3HD2 LEU 69 3HD2 LEU 69 2.560 12.419 -1.626 582 H ARG 70 H ARG 70 0.142 15.511 -4.561 583 HA ARG 70 HA ARG 70 2.243 17.442 -4.306 584 1HB ARG 70 1HB ARG 70 1.234 16.039 -6.779 585 2HB ARG 70 2HB ARG 70 2.728 16.958 -6.660 586 1HG ARG 70 1HG ARG 70 2.652 14.943 -4.619 587 2HG ARG 70 2HG ARG 70 2.352 14.222 -6.201 588 1HD ARG 70 1HD ARG 70 4.613 16.146 -5.763 589 2HD ARG 70 2HD ARG 70 4.786 14.431 -5.394 590 HE ARG 70 HE ARG 70 3.778 14.875 -8.029 591 1HH1 ARG 70 1HH1 ARG 70 7.721 14.450 -7.455 592 2HH1 ARG 70 2HH1 ARG 70 6.693 14.813 -6.109 593 1HH2 ARG 70 1HH2 ARG 70 6.834 14.215 -9.549 594 2HH2 ARG 70 2HH2 ARG 70 5.130 14.399 -9.800 595 H MET 71 H MET 71 -0.910 17.856 -4.546 596 HA MET 71 HA MET 71 -0.708 20.257 -6.232 597 1HB MET 71 1HB MET 71 -3.124 18.576 -5.543 598 2HB MET 71 2HB MET 71 -3.190 20.088 -6.438 599 1HG MET 71 1HG MET 71 -1.577 17.724 -7.345 600 2HG MET 71 2HG MET 71 -3.261 17.974 -7.802 601 1HE MET 71 1HE MET 71 -4.087 19.687 -9.558 602 2HE MET 71 2HE MET 71 -2.971 19.905 -10.907 603 3HE MET 71 3HE MET 71 -3.271 18.291 -10.262 604 H ASN 72 H ASN 72 -2.248 18.979 -3.292 605 HA ASN 72 HA ASN 72 -3.251 21.406 -2.332 606 1HB ASN 72 1HB ASN 72 -2.290 19.067 -0.673 607 2HB ASN 72 2HB ASN 72 -3.444 20.303 -0.180 608 1HD2 ASN 72 1HD2 ASN 72 -5.252 17.233 -1.207 609 2HD2 ASN 72 2HD2 ASN 72 -4.012 17.600 -0.060 610 H LEU 73 H LEU 73 -2.065 23.179 -2.054 611 HA LEU 73 HA LEU 73 0.470 22.931 -0.572 612 1HB LEU 73 1HB LEU 73 0.629 23.555 -3.052 613 2HB LEU 73 2HB LEU 73 -0.093 25.087 -2.594 614 HG LEU 73 HG LEU 73 1.996 24.855 -0.812 615 1HD1 LEU 73 1HD1 LEU 73 3.286 24.225 -3.407 616 2HD1 LEU 73 2HD1 LEU 73 3.848 23.940 -1.760 617 3HD1 LEU 73 3HD1 LEU 73 2.624 22.887 -2.468 618 1HD2 LEU 73 1HD2 LEU 73 1.110 26.701 -2.515 619 2HD2 LEU 73 2HD2 LEU 73 2.700 26.796 -1.756 620 3HD2 LEU 73 3HD2 LEU 73 2.543 26.182 -3.402 621 H GLY 74 H GLY 74 -1.951 25.371 -1.541 622 1HA GLY 74 1HA GLY 74 -3.278 26.641 -0.069 623 2HA GLY 74 2HA GLY 74 -2.242 26.143 1.259 624 H GLY 75 H GLY 75 0.174 26.883 -0.408 625 1HA GLY 75 1HA GLY 75 1.432 28.759 -0.912 626 2HA GLY 75 2HA GLY 75 -0.034 29.724 -0.808 627 H THR 76 H THR 76 -0.710 30.510 1.240 628 HA THR 76 HA THR 76 1.442 31.279 2.931 629 HB THR 76 HB THR 76 -1.480 31.490 3.635 630 HG1 THR 76 HG1 THR 76 -0.027 33.298 2.011 631 1HG2 THR 76 1HG2 THR 76 0.130 33.829 4.079 632 2HG2 THR 76 2HG2 THR 76 -0.862 32.911 5.210 633 3HG2 THR 76 3HG2 THR 76 0.807 32.427 4.908 634 H GLY 77 H GLY 77 2.277 30.268 4.641 635 1HA GLY 77 1HA GLY 77 0.655 28.577 6.332 636 2HA GLY 77 2HA GLY 77 1.851 27.703 5.388 637 H PHE 78 H PHE 78 4.123 28.702 5.530 638 HA PHE 78 HA PHE 78 4.765 28.890 8.347 639 1HB PHE 78 1HB PHE 78 6.197 28.221 5.871 640 2HB PHE 78 2HB PHE 78 7.153 29.159 7.014 641 HD1 PHE 78 HD1 PHE 78 5.821 25.935 6.200 642 HD2 PHE 78 HD2 PHE 78 7.407 28.293 9.367 643 HE1 PHE 78 HE1 PHE 78 6.276 23.889 7.491 644 HE2 PHE 78 HE2 PHE 78 7.865 26.253 10.663 645 HZ PHE 78 HZ PHE 78 7.299 24.047 9.725 646 H GLN 79 H GLN 79 4.305 30.863 9.152 647 HA GLN 79 HA GLN 79 5.872 33.105 8.143 648 1HB GLN 79 1HB GLN 79 3.537 33.121 7.102 649 2HB GLN 79 2HB GLN 79 2.933 33.460 8.718 650 1HG GLN 79 1HG GLN 79 4.578 35.433 8.692 651 2HG GLN 79 2HG GLN 79 4.642 35.166 6.951 652 1HE2 GLN 79 1HE2 GLN 79 1.336 36.267 6.353 653 2HE2 GLN 79 2HE2 GLN 79 2.575 35.197 5.801 Start of MODEL 46 1 1H MET 1 1H MET 1 -18.997 2.068 -0.851 2 2H MET 1 2H MET 1 -20.145 1.519 0.300 3 3H MET 1 3H MET 1 -19.686 3.173 0.262 4 HA MET 1 HA MET 1 -18.609 2.181 2.059 5 1HB MET 1 1HB MET 1 -18.520 -0.037 0.214 6 2HB MET 1 2HB MET 1 -16.915 0.272 0.865 7 1HG MET 1 1HG MET 1 -18.894 0.366 2.951 8 2HG MET 1 2HG MET 1 -18.989 -1.153 2.061 9 1HE MET 1 1HE MET 1 -15.577 -2.657 2.268 10 2HE MET 1 2HE MET 1 -17.065 -3.295 2.967 11 3HE MET 1 3HE MET 1 -17.106 -2.472 1.409 12 H ASP 2 H ASP 2 -17.366 3.948 2.260 13 HA ASP 2 HA ASP 2 -15.659 4.996 0.295 14 1HB ASP 2 1HB ASP 2 -14.634 6.253 2.262 15 2HB ASP 2 2HB ASP 2 -16.364 6.471 2.013 16 H ARG 3 H ARG 3 -13.599 4.598 -0.259 17 HA ARG 3 HA ARG 3 -12.238 2.396 1.109 18 1HB ARG 3 1HB ARG 3 -11.605 3.729 -1.534 19 2HB ARG 3 2HB ARG 3 -10.797 2.310 -0.879 20 1HG ARG 3 1HG ARG 3 -12.249 1.138 -2.094 21 2HG ARG 3 2HG ARG 3 -13.427 1.551 -0.845 22 1HD ARG 3 1HD ARG 3 -13.502 3.770 -2.415 23 2HD ARG 3 2HD ARG 3 -13.180 2.515 -3.609 24 HE ARG 3 HE ARG 3 -15.578 2.816 -1.983 25 1HH1 ARG 3 1HH1 ARG 3 -15.171 -0.031 -4.773 26 2HH1 ARG 3 2HH1 ARG 3 -13.787 0.884 -4.281 27 1HH2 ARG 3 1HH2 ARG 3 -17.214 0.378 -3.837 28 2HH2 ARG 3 2HH2 ARG 3 -17.391 1.607 -2.629 29 H VAL 4 H VAL 4 -11.496 3.546 2.932 30 HA VAL 4 HA VAL 4 -9.134 5.178 2.368 31 HB VAL 4 HB VAL 4 -9.717 6.716 4.242 32 1HG1 VAL 4 1HG1 VAL 4 -10.014 7.627 2.115 33 2HG1 VAL 4 2HG1 VAL 4 -11.400 6.595 1.763 34 3HG1 VAL 4 3HG1 VAL 4 -11.556 7.917 2.920 35 1HG2 VAL 4 1HG2 VAL 4 -11.635 6.596 5.417 36 2HG2 VAL 4 2HG2 VAL 4 -12.580 6.063 4.026 37 3HG2 VAL 4 3HG2 VAL 4 -11.595 4.907 4.919 38 H LEU 5 H LEU 5 -7.444 4.425 3.403 39 HA LEU 5 HA LEU 5 -7.785 2.513 5.552 40 1HB LEU 5 1HB LEU 5 -5.195 2.480 5.352 41 2HB LEU 5 2HB LEU 5 -6.194 1.687 4.168 42 HG LEU 5 HG LEU 5 -5.883 3.536 2.633 43 1HD1 LEU 5 1HD1 LEU 5 -5.410 5.523 3.432 44 2HD1 LEU 5 2HD1 LEU 5 -4.904 4.851 4.982 45 3HD1 LEU 5 3HD1 LEU 5 -3.755 4.956 3.651 46 1HD2 LEU 5 1HD2 LEU 5 -3.109 3.218 3.047 47 2HD2 LEU 5 2HD2 LEU 5 -3.903 1.715 3.521 48 3HD2 LEU 5 3HD2 LEU 5 -4.156 2.374 1.904 49 H SER 6 H SER 6 -6.983 2.655 7.593 50 HA SER 6 HA SER 6 -6.746 5.368 8.614 51 1HB SER 6 1HB SER 6 -6.980 4.304 10.832 52 2HB SER 6 2HB SER 6 -8.279 3.821 9.744 53 HG SER 6 HG SER 6 -5.928 2.289 10.135 54 H ARG 7 H ARG 7 -5.224 5.114 10.833 55 HA ARG 7 HA ARG 7 -2.612 5.387 9.891 56 1HB ARG 7 1HB ARG 7 -3.406 4.662 12.715 57 2HB ARG 7 2HB ARG 7 -1.929 5.467 12.205 58 1HG ARG 7 1HG ARG 7 -3.242 7.400 11.472 59 2HG ARG 7 2HG ARG 7 -4.714 6.594 12.017 60 1HD ARG 7 1HD ARG 7 -2.446 6.944 13.923 61 2HD ARG 7 2HD ARG 7 -3.484 8.319 13.559 62 HE ARG 7 HE ARG 7 -4.389 5.780 14.753 63 1HH1 ARG 7 1HH1 ARG 7 -6.148 9.340 15.301 64 2HH1 ARG 7 2HH1 ARG 7 -4.807 9.214 14.218 65 1HH2 ARG 7 1HH2 ARG 7 -6.915 7.493 16.410 66 2HH2 ARG 7 2HH2 ARG 7 -6.154 5.955 16.171 67 H ALA 8 H ALA 8 -4.205 2.635 11.455 68 HA ALA 8 HA ALA 8 -1.962 0.972 11.660 69 1HB ALA 8 1HB ALA 8 -3.819 -0.873 11.532 70 2HB ALA 8 2HB ALA 8 -3.735 0.221 12.915 71 3HB ALA 8 3HB ALA 8 -4.908 0.511 11.629 72 H ASP 9 H ASP 9 -4.447 1.127 9.090 73 HA ASP 9 HA ASP 9 -3.295 -0.893 7.498 74 1HB ASP 9 1HB ASP 9 -4.946 1.429 6.510 75 2HB ASP 9 2HB ASP 9 -4.774 -0.149 5.755 76 H LYS 10 H LYS 10 -3.056 2.672 7.246 77 HA LYS 10 HA LYS 10 -1.268 2.677 5.078 78 1HB LYS 10 1HB LYS 10 -0.751 4.978 5.696 79 2HB LYS 10 2HB LYS 10 -2.481 4.690 5.796 80 1HG LYS 10 1HG LYS 10 -2.071 5.907 7.699 81 2HG LYS 10 2HG LYS 10 -2.021 4.252 8.299 82 1HD LYS 10 1HD LYS 10 0.097 4.474 8.954 83 2HD LYS 10 2HD LYS 10 0.579 5.082 7.369 84 1HE LYS 10 1HE LYS 10 -0.245 7.322 8.025 85 2HE LYS 10 2HE LYS 10 -0.603 6.690 9.631 86 1HZ LYS 10 1HZ LYS 10 1.529 7.833 9.562 87 2HZ LYS 10 2HZ LYS 10 1.734 6.195 9.931 88 3HZ LYS 10 3HZ LYS 10 2.088 6.762 8.377 89 H GLU 11 H GLU 11 -0.799 2.323 8.526 90 HA GLU 11 HA GLU 11 2.038 2.589 8.512 91 1HB GLU 11 1HB GLU 11 -0.004 1.572 10.440 92 2HB GLU 11 2HB GLU 11 1.669 1.098 10.689 93 1HG GLU 11 1HG GLU 11 2.116 3.659 10.436 94 2HG GLU 11 2HG GLU 11 0.417 3.789 10.876 95 H ARG 12 H ARG 12 -0.228 0.003 7.955 96 HA ARG 12 HA ARG 12 1.592 -2.166 8.095 97 1HB ARG 12 1HB ARG 12 -0.833 -2.476 8.264 98 2HB ARG 12 2HB ARG 12 -1.035 -1.892 6.619 99 1HG ARG 12 1HG ARG 12 0.366 -3.822 5.859 100 2HG ARG 12 2HG ARG 12 0.287 -4.433 7.511 101 1HD ARG 12 1HD ARG 12 -2.107 -4.606 7.394 102 2HD ARG 12 2HD ARG 12 -2.127 -3.817 5.818 103 HE ARG 12 HE ARG 12 -1.697 -5.844 4.873 104 1HH1 ARG 12 1HH1 ARG 12 -0.267 -7.646 8.153 105 2HH1 ARG 12 2HH1 ARG 12 -0.681 -5.966 8.210 106 1HH2 ARG 12 1HH2 ARG 12 -0.536 -8.831 6.212 107 2HH2 ARG 12 2HH2 ARG 12 -1.154 -8.052 4.794 108 H LEU 13 H LEU 13 0.526 -0.007 5.539 109 HA LEU 13 HA LEU 13 1.706 -1.357 3.362 110 1HB LEU 13 1HB LEU 13 0.035 0.300 2.958 111 2HB LEU 13 2HB LEU 13 0.941 1.519 3.829 112 HG LEU 13 HG LEU 13 2.704 0.917 1.854 113 1HD1 LEU 13 1HD1 LEU 13 0.182 1.023 0.302 114 2HD1 LEU 13 2HD1 LEU 13 1.743 0.312 -0.112 115 3HD1 LEU 13 3HD1 LEU 13 0.651 -0.534 0.985 116 1HD2 LEU 13 1HD2 LEU 13 1.583 3.110 2.699 117 2HD2 LEU 13 2HD2 LEU 13 2.261 3.040 1.072 118 3HD2 LEU 13 3HD2 LEU 13 0.519 2.882 1.308 119 H LEU 14 H LEU 14 2.924 0.830 5.778 120 HA LEU 14 HA LEU 14 5.355 1.512 4.477 121 1HB LEU 14 1HB LEU 14 4.216 1.781 7.205 122 2HB LEU 14 2HB LEU 14 5.960 1.896 7.056 123 HG LEU 14 HG LEU 14 3.912 3.653 5.710 124 1HD1 LEU 14 1HD1 LEU 14 5.265 5.394 7.033 125 2HD1 LEU 14 2HD1 LEU 14 4.105 4.391 7.905 126 3HD1 LEU 14 3HD1 LEU 14 5.829 4.020 7.981 127 1HD2 LEU 14 1HD2 LEU 14 6.490 4.713 5.399 128 2HD2 LEU 14 2HD2 LEU 14 6.597 3.017 4.928 129 3HD2 LEU 14 3HD2 LEU 14 5.426 4.077 4.145 130 H GLU 15 H GLU 15 4.409 -1.014 6.753 131 HA GLU 15 HA GLU 15 6.921 -2.024 7.396 132 1HB GLU 15 1HB GLU 15 4.365 -3.599 7.030 133 2HB GLU 15 2HB GLU 15 5.774 -4.109 7.950 134 1HG GLU 15 1HG GLU 15 5.359 -1.932 9.300 135 2HG GLU 15 2HG GLU 15 3.743 -2.023 8.602 136 H LEU 16 H LEU 16 4.738 -2.999 4.765 137 HA LEU 16 HA LEU 16 6.586 -4.859 3.641 138 1HB LEU 16 1HB LEU 16 3.996 -3.646 2.767 139 2HB LEU 16 2HB LEU 16 4.966 -4.535 1.608 140 HG LEU 16 HG LEU 16 4.575 -6.005 4.098 141 1HD1 LEU 16 1HD1 LEU 16 2.138 -5.432 2.422 142 2HD1 LEU 16 2HD1 LEU 16 2.238 -6.483 3.835 143 3HD1 LEU 16 3HD1 LEU 16 2.443 -4.741 4.015 144 1HD2 LEU 16 1HD2 LEU 16 4.147 -6.543 1.168 145 2HD2 LEU 16 2HD2 LEU 16 5.457 -7.120 2.200 146 3HD2 LEU 16 3HD2 LEU 16 3.819 -7.731 2.429 147 H LEU 17 H LEU 17 6.400 -1.484 3.579 148 HA LEU 17 HA LEU 17 7.654 -1.183 0.979 149 1HB LEU 17 1HB LEU 17 6.418 0.613 2.974 150 2HB LEU 17 2HB LEU 17 7.711 1.297 2.011 151 HG LEU 17 HG LEU 17 5.278 1.605 1.220 152 1HD1 LEU 17 1HD1 LEU 17 7.511 1.939 -0.034 153 2HD1 LEU 17 2HD1 LEU 17 7.065 0.457 -0.878 154 3HD1 LEU 17 3HD1 LEU 17 6.010 1.867 -0.958 155 1HD2 LEU 17 1HD2 LEU 17 5.299 -1.181 1.304 156 2HD2 LEU 17 2HD2 LEU 17 4.070 -0.146 0.581 157 3HD2 LEU 17 3HD2 LEU 17 5.388 -0.773 -0.408 158 H LYS 18 H LYS 18 8.715 -1.758 4.134 159 HA LYS 18 HA LYS 18 10.753 -1.581 5.160 160 1HB LYS 18 1HB LYS 18 11.267 -2.122 2.347 161 2HB LYS 18 2HB LYS 18 12.580 -1.229 3.096 162 1HG LYS 18 1HG LYS 18 13.350 -3.146 3.896 163 2HG LYS 18 2HG LYS 18 11.914 -3.247 4.915 164 1HD LYS 18 1HD LYS 18 10.735 -4.355 3.012 165 2HD LYS 18 2HD LYS 18 12.272 -4.382 2.145 166 1HE LYS 18 1HE LYS 18 13.128 -6.033 3.435 167 2HE LYS 18 2HE LYS 18 12.296 -5.478 4.887 168 1HZ LYS 18 1HZ LYS 18 10.929 -6.844 2.638 169 2HZ LYS 18 2HZ LYS 18 11.514 -7.652 4.004 170 3HZ LYS 18 3HZ LYS 18 10.291 -6.493 4.166 171 H LEU 19 H LEU 19 9.219 0.827 4.200 172 HA LEU 19 HA LEU 19 11.352 2.835 4.254 173 1HB LEU 19 1HB LEU 19 9.959 2.852 2.257 174 2HB LEU 19 2HB LEU 19 8.512 2.943 3.239 175 HG LEU 19 HG LEU 19 10.350 5.141 3.765 176 1HD1 LEU 19 1HD1 LEU 19 9.323 6.055 1.402 177 2HD1 LEU 19 2HD1 LEU 19 10.984 5.519 1.654 178 3HD1 LEU 19 3HD1 LEU 19 9.787 4.403 0.995 179 1HD2 LEU 19 1HD2 LEU 19 7.471 4.632 3.349 180 2HD2 LEU 19 2HD2 LEU 19 8.286 5.608 4.571 181 3HD2 LEU 19 3HD2 LEU 19 8.046 6.249 2.945 182 HA PRO 20 HA PRO 20 10.153 3.292 8.584 183 1HB PRO 20 1HB PRO 20 11.391 5.946 8.001 184 2HB PRO 20 2HB PRO 20 11.630 4.872 9.383 185 1HG PRO 20 1HG PRO 20 13.416 5.020 7.384 186 2HG PRO 20 2HG PRO 20 13.092 3.508 8.247 187 1HD PRO 20 1HD PRO 20 12.364 4.301 5.500 188 2HD PRO 20 2HD PRO 20 12.542 2.680 6.197 189 H ARG 21 H ARG 21 8.909 4.830 9.856 190 HA ARG 21 HA ARG 21 6.730 5.950 8.294 191 1HB ARG 21 1HB ARG 21 5.659 6.248 10.557 192 2HB ARG 21 2HB ARG 21 6.029 4.585 10.118 193 1HG ARG 21 1HG ARG 21 7.289 4.330 11.923 194 2HG ARG 21 2HG ARG 21 8.256 5.745 11.506 195 1HD ARG 21 1HD ARG 21 6.213 7.069 12.434 196 2HD ARG 21 2HD ARG 21 5.825 5.548 13.236 197 HE ARG 21 HE ARG 21 8.451 5.993 13.838 198 1HH1 ARG 21 1HH1 ARG 21 6.037 8.622 15.658 199 2HH1 ARG 21 2HH1 ARG 21 5.494 7.806 14.230 200 1HH2 ARG 21 1HH2 ARG 21 8.119 8.201 16.502 201 2HH2 ARG 21 2HH2 ARG 21 9.164 7.065 15.717 202 H GLN 22 H GLN 22 9.596 7.044 9.601 203 HA GLN 22 HA GLN 22 8.778 9.600 10.561 204 1HB GLN 22 1HB GLN 22 11.064 8.078 10.703 205 2HB GLN 22 2HB GLN 22 11.541 9.377 9.621 206 1HG GLN 22 1HG GLN 22 11.734 10.803 11.305 207 2HG GLN 22 2HG GLN 22 10.110 10.429 11.881 208 1HE2 GLN 22 1HE2 GLN 22 11.248 8.737 14.653 209 2HE2 GLN 22 2HE2 GLN 22 9.996 9.601 13.835 210 H LEU 23 H LEU 23 9.844 8.340 7.481 211 HA LEU 23 HA LEU 23 9.800 11.023 6.334 212 1HB LEU 23 1HB LEU 23 10.962 10.165 4.453 213 2HB LEU 23 2HB LEU 23 11.741 9.536 5.886 214 HG LEU 23 HG LEU 23 11.691 7.826 4.201 215 1HD1 LEU 23 1HD1 LEU 23 9.541 7.077 6.151 216 2HD1 LEU 23 2HD1 LEU 23 10.728 6.024 5.383 217 3HD1 LEU 23 3HD1 LEU 23 11.242 7.201 6.599 218 1HD2 LEU 23 1HD2 LEU 23 9.902 7.209 2.947 219 2HD2 LEU 23 2HD2 LEU 23 8.730 7.699 4.169 220 3HD2 LEU 23 3HD2 LEU 23 9.540 8.917 3.180 221 H TRP 24 H TRP 24 7.487 9.005 7.042 222 HA TRP 24 HA TRP 24 6.089 8.296 4.765 223 1HB TRP 24 1HB TRP 24 5.357 7.551 6.925 224 2HB TRP 24 2HB TRP 24 5.098 9.204 7.471 225 HD1 TRP 24 HD1 TRP 24 2.809 10.357 6.838 226 HE1 TRP 24 HE1 TRP 24 0.607 9.464 5.849 227 HE3 TRP 24 HE3 TRP 24 4.442 5.798 5.204 228 HZ2 TRP 24 HZ2 TRP 24 -0.316 7.130 4.554 229 HZ3 TRP 24 HZ3 TRP 24 2.837 4.294 4.096 230 HH2 TRP 24 HH2 TRP 24 0.508 4.951 3.778 231 H GLY 25 H GLY 25 5.674 9.570 3.068 232 1HA GLY 25 1HA GLY 25 3.837 11.365 2.646 233 2HA GLY 25 2HA GLY 25 4.959 12.380 3.538 234 H ASP 26 H ASP 26 7.268 10.913 2.311 235 HA ASP 26 HA ASP 26 7.531 12.611 0.009 236 1HB ASP 26 1HB ASP 26 9.388 12.063 1.633 237 2HB ASP 26 2HB ASP 26 9.439 10.454 0.920 238 H PHE 27 H PHE 27 6.058 11.900 -1.522 239 HA PHE 27 HA PHE 27 5.448 9.366 -2.334 240 1HB PHE 27 1HB PHE 27 4.358 11.396 -3.202 241 2HB PHE 27 2HB PHE 27 5.797 11.756 -4.149 242 HD1 PHE 27 HD1 PHE 27 3.938 8.572 -3.587 243 HD2 PHE 27 HD2 PHE 27 5.263 11.507 -6.375 244 HE1 PHE 27 HE1 PHE 27 3.068 7.206 -5.440 245 HE2 PHE 27 HE2 PHE 27 4.391 10.145 -8.230 246 HZ PHE 27 HZ PHE 27 3.292 7.990 -7.762 247 H GLY 28 H GLY 28 8.379 11.133 -2.993 248 1HA GLY 28 1HA GLY 28 9.295 9.470 -5.117 249 2HA GLY 28 2HA GLY 28 10.274 10.585 -4.179 250 H ARG 29 H ARG 29 9.754 9.422 -1.617 251 HA ARG 29 HA ARG 29 11.678 7.288 -1.730 252 1HB ARG 29 1HB ARG 29 10.181 8.522 0.586 253 2HB ARG 29 2HB ARG 29 11.426 7.292 0.756 254 1HG ARG 29 1HG ARG 29 12.989 8.868 -0.431 255 2HG ARG 29 2HG ARG 29 11.736 10.100 -0.267 256 1HD ARG 29 1HD ARG 29 13.291 10.343 1.541 257 2HD ARG 29 2HD ARG 29 11.770 9.732 2.187 258 HE ARG 29 HE ARG 29 13.079 7.463 1.858 259 1HH1 ARG 29 1HH1 ARG 29 15.388 9.742 4.207 260 2HH1 ARG 29 2HH1 ARG 29 14.220 10.492 3.177 261 1HH2 ARG 29 1HH2 ARG 29 15.614 7.471 4.234 262 2HH2 ARG 29 2HH2 ARG 29 14.616 6.483 3.219 263 H MET 30 H MET 30 8.275 7.553 -0.703 264 HA MET 30 HA MET 30 7.946 4.877 0.041 265 1HB MET 30 1HB MET 30 5.510 5.281 -0.322 266 2HB MET 30 2HB MET 30 6.298 6.480 0.694 267 1HG MET 30 1HG MET 30 6.452 7.966 -1.292 268 2HG MET 30 2HG MET 30 5.501 6.783 -2.189 269 1HE MET 30 1HE MET 30 5.711 8.465 1.167 270 2HE MET 30 2HE MET 30 4.109 9.132 1.479 271 3HE MET 30 3HE MET 30 4.414 7.412 1.730 272 H GLN 31 H GLN 31 7.241 6.453 -3.085 273 HA GLN 31 HA GLN 31 6.337 4.136 -4.389 274 1HB GLN 31 1HB GLN 31 6.231 6.615 -5.150 275 2HB GLN 31 2HB GLN 31 7.825 6.316 -5.830 276 1HG GLN 31 1HG GLN 31 6.935 4.540 -7.215 277 2HG GLN 31 2HG GLN 31 5.342 4.751 -6.494 278 1HE2 GLN 31 1HE2 GLN 31 4.598 6.724 -9.257 279 2HE2 GLN 31 2HE2 GLN 31 4.325 5.250 -8.399 280 H GLN 32 H GLN 32 9.567 5.448 -3.897 281 HA GLN 32 HA GLN 32 10.976 3.790 -5.664 282 1HB GLN 32 1HB GLN 32 11.656 5.779 -3.901 283 2HB GLN 32 2HB GLN 32 12.350 4.362 -3.129 284 1HG GLN 32 1HG GLN 32 12.866 5.224 -5.965 285 2HG GLN 32 2HG GLN 32 13.936 5.519 -4.596 286 1HE2 GLN 32 1HE2 GLN 32 14.263 2.157 -6.643 287 2HE2 GLN 32 2HE2 GLN 32 13.434 3.577 -7.172 288 H ALA 33 H ALA 33 10.097 3.358 -2.262 289 HA ALA 33 HA ALA 33 11.316 0.811 -1.976 290 1HB ALA 33 1HB ALA 33 9.701 2.594 -0.354 291 2HB ALA 33 2HB ALA 33 9.266 0.901 -0.115 292 3HB ALA 33 3HB ALA 33 10.930 1.428 0.133 293 H TYR 34 H TYR 34 7.976 1.854 -2.605 294 HA TYR 34 HA TYR 34 6.662 -0.543 -2.612 295 1HB TYR 34 1HB TYR 34 5.555 1.633 -2.981 296 2HB TYR 34 2HB TYR 34 6.251 1.705 -4.598 297 HD1 TYR 34 HD1 TYR 34 5.692 -0.313 -6.158 298 HD2 TYR 34 HD2 TYR 34 3.419 0.728 -2.702 299 HE1 TYR 34 HE1 TYR 34 3.778 -1.565 -7.051 300 HE2 TYR 34 HE2 TYR 34 1.511 -0.545 -3.593 301 HH TYR 34 HH TYR 34 1.269 -1.542 -6.766 302 H LYS 35 H LYS 35 8.435 0.899 -5.336 303 HA LYS 35 HA LYS 35 8.005 -1.319 -7.073 304 1HB LYS 35 1HB LYS 35 9.122 1.284 -7.272 305 2HB LYS 35 2HB LYS 35 10.350 0.149 -7.815 306 1HG LYS 35 1HG LYS 35 8.149 -0.798 -9.092 307 2HG LYS 35 2HG LYS 35 7.823 0.934 -9.065 308 1HD LYS 35 1HD LYS 35 9.237 1.221 -10.757 309 2HD LYS 35 2HD LYS 35 10.550 0.596 -9.757 310 1HE LYS 35 1HE LYS 35 8.935 -1.575 -10.711 311 2HE LYS 35 2HE LYS 35 9.427 -0.560 -12.065 312 1HZ LYS 35 1HZ LYS 35 11.188 -1.896 -10.086 313 2HZ LYS 35 2HZ LYS 35 11.093 -2.197 -11.748 314 3HZ LYS 35 3HZ LYS 35 11.740 -0.738 -11.190 315 H GLN 36 H GLN 36 10.395 -0.498 -4.678 316 HA GLN 36 HA GLN 36 12.383 -2.355 -5.513 317 1HB GLN 36 1HB GLN 36 12.452 -0.299 -3.823 318 2HB GLN 36 2HB GLN 36 12.141 -1.570 -2.648 319 1HG GLN 36 1HG GLN 36 14.216 -2.442 -4.382 320 2HG GLN 36 2HG GLN 36 14.597 -0.813 -3.828 321 1HE2 GLN 36 1HE2 GLN 36 15.103 -1.718 -0.473 322 2HE2 GLN 36 2HE2 GLN 36 14.719 -0.429 -1.559 323 H GLN 37 H GLN 37 9.553 -2.542 -3.467 324 HA GLN 37 HA GLN 37 10.243 -5.169 -2.463 325 1HB GLN 37 1HB GLN 37 7.634 -3.673 -2.198 326 2HB GLN 37 2HB GLN 37 8.167 -5.045 -1.237 327 1HG GLN 37 1HG GLN 37 9.722 -2.490 -1.292 328 2HG GLN 37 2HG GLN 37 8.334 -2.697 -0.226 329 1HE2 GLN 37 1HE2 GLN 37 10.029 -5.452 1.518 330 2HE2 GLN 37 2HE2 GLN 37 8.557 -5.227 0.644 331 H SER 38 H SER 38 8.553 -3.835 -5.146 332 HA SER 38 HA SER 38 6.734 -5.924 -5.656 333 1HB SER 38 1HB SER 38 8.064 -4.231 -7.774 334 2HB SER 38 2HB SER 38 6.462 -4.968 -7.821 335 HG SER 38 HG SER 38 6.391 -2.722 -7.335 336 H LEU 39 H LEU 39 10.146 -5.568 -6.258 337 HA LEU 39 HA LEU 39 10.480 -7.528 -8.234 338 1HB LEU 39 1HB LEU 39 12.198 -6.055 -6.366 339 2HB LEU 39 2HB LEU 39 12.822 -7.631 -6.823 340 HG LEU 39 HG LEU 39 11.923 -5.654 -8.898 341 1HD1 LEU 39 1HD1 LEU 39 14.802 -5.844 -8.365 342 2HD1 LEU 39 2HD1 LEU 39 13.811 -4.448 -8.793 343 3HD1 LEU 39 3HD1 LEU 39 13.867 -5.013 -7.122 344 1HD2 LEU 39 1HD2 LEU 39 13.471 -8.195 -8.827 345 2HD2 LEU 39 2HD2 LEU 39 12.238 -7.654 -9.966 346 3HD2 LEU 39 3HD2 LEU 39 13.871 -6.992 -10.054 347 H LEU 40 H LEU 40 10.159 -7.801 -4.746 348 HA LEU 40 HA LEU 40 10.911 -10.607 -4.793 349 1HB LEU 40 1HB LEU 40 10.750 -10.577 -2.440 350 2HB LEU 40 2HB LEU 40 11.479 -9.049 -2.895 351 HG LEU 40 HG LEU 40 8.800 -8.430 -2.798 352 1HD1 LEU 40 1HD1 LEU 40 9.389 -10.625 -0.886 353 2HD1 LEU 40 2HD1 LEU 40 8.344 -9.302 -0.366 354 3HD1 LEU 40 3HD1 LEU 40 7.909 -10.267 -1.776 355 1HD2 LEU 40 1HD2 LEU 40 11.155 -7.618 -1.596 356 2HD2 LEU 40 2HD2 LEU 40 9.576 -6.848 -1.438 357 3HD2 LEU 40 3HD2 LEU 40 10.103 -8.031 -0.243 358 H LEU 41 H LEU 41 8.041 -8.666 -4.865 359 HA LEU 41 HA LEU 41 6.335 -10.986 -4.366 360 1HB LEU 41 1HB LEU 41 5.446 -8.166 -4.939 361 2HB LEU 41 2HB LEU 41 4.507 -9.462 -4.222 362 HG LEU 41 HG LEU 41 6.955 -8.502 -2.809 363 1HD1 LEU 41 1HD1 LEU 41 6.139 -6.409 -2.826 364 2HD1 LEU 41 2HD1 LEU 41 4.525 -6.933 -3.311 365 3HD1 LEU 41 3HD1 LEU 41 5.016 -7.038 -1.620 366 1HD2 LEU 41 1HD2 LEU 41 5.673 -10.497 -2.059 367 2HD2 LEU 41 2HD2 LEU 41 5.757 -9.208 -0.858 368 3HD2 LEU 41 3HD2 LEU 41 4.283 -9.444 -1.796 369 H HIS 42 H HIS 42 7.944 -9.817 -6.945 370 HA HIS 42 HA HIS 42 5.909 -9.775 -8.936 371 1HB HIS 42 1HB HIS 42 8.305 -8.738 -8.969 372 2HB HIS 42 2HB HIS 42 8.795 -10.327 -9.538 373 HD1 HIS 42 HD1 HIS 42 6.987 -7.242 -10.584 374 HD2 HIS 42 HD2 HIS 42 7.943 -10.968 -12.150 375 HE1 HIS 42 HE1 HIS 42 6.499 -7.085 -13.046 376 HE2 HIS 42 HE2 HIS 42 7.135 -9.336 -13.980 377 HA PRO 43 HA PRO 43 5.029 -14.092 -9.448 378 1HB PRO 43 1HB PRO 43 5.062 -13.323 -12.335 379 2HB PRO 43 2HB PRO 43 3.854 -14.242 -11.431 380 1HG PRO 43 1HG PRO 43 3.447 -11.679 -12.065 381 2HG PRO 43 2HG PRO 43 2.896 -12.347 -10.519 382 1HD PRO 43 1HD PRO 43 5.162 -10.516 -11.085 383 2HD PRO 43 2HD PRO 43 4.180 -10.683 -9.620 384 H ASP 44 H ASP 44 7.594 -12.464 -11.183 385 HA ASP 44 HA ASP 44 8.784 -14.803 -12.287 386 1HB ASP 44 1HB ASP 44 9.083 -12.298 -12.958 387 2HB ASP 44 2HB ASP 44 10.327 -12.292 -11.712 388 H LYS 45 H LYS 45 8.955 -13.207 -9.213 389 HA LYS 45 HA LYS 45 11.067 -15.084 -8.377 390 1HB LYS 45 1HB LYS 45 10.439 -12.512 -6.947 391 2HB LYS 45 2HB LYS 45 11.892 -13.497 -6.840 392 1HG LYS 45 1HG LYS 45 11.094 -12.068 -9.358 393 2HG LYS 45 2HG LYS 45 12.086 -11.319 -8.105 394 1HD LYS 45 1HD LYS 45 13.802 -12.954 -8.380 395 2HD LYS 45 2HD LYS 45 12.778 -13.933 -9.431 396 1HE LYS 45 1HE LYS 45 12.723 -11.892 -10.971 397 2HE LYS 45 2HE LYS 45 14.070 -11.284 -10.009 398 1HZ LYS 45 1HZ LYS 45 15.287 -13.329 -10.549 399 2HZ LYS 45 2HZ LYS 45 14.012 -13.827 -11.540 400 3HZ LYS 45 3HZ LYS 45 14.893 -12.439 -11.933 401 H GLY 46 H GLY 46 8.160 -15.504 -8.482 402 1HA GLY 46 1HA GLY 46 6.988 -16.981 -7.018 403 2HA GLY 46 2HA GLY 46 7.786 -16.209 -5.655 404 H GLY 47 H GLY 47 6.987 -14.270 -4.844 405 1HA GLY 47 1HA GLY 47 5.379 -12.728 -4.307 406 2HA GLY 47 2HA GLY 47 4.954 -12.729 -6.011 407 H SER 48 H SER 48 3.499 -12.844 -3.257 408 HA SER 48 HA SER 48 1.862 -15.221 -3.644 409 1HB SER 48 1HB SER 48 2.438 -13.399 -1.439 410 2HB SER 48 2HB SER 48 0.716 -13.749 -1.587 411 HG SER 48 HG SER 48 2.705 -15.329 -0.680 412 H HIS 49 H HIS 49 -0.342 -15.186 -4.109 413 HA HIS 49 HA HIS 49 -1.196 -13.154 -5.878 414 1HB HIS 49 1HB HIS 49 -3.451 -14.349 -5.665 415 2HB HIS 49 2HB HIS 49 -2.097 -15.291 -6.277 416 HD1 HIS 49 HD1 HIS 49 -2.402 -17.590 -5.432 417 HD2 HIS 49 HD2 HIS 49 -3.253 -14.756 -2.514 418 HE1 HIS 49 HE1 HIS 49 -2.906 -18.901 -3.346 419 HE2 HIS 49 HE2 HIS 49 -3.339 -17.162 -1.576 420 H ALA 50 H ALA 50 -1.490 -13.554 -2.459 421 HA ALA 50 HA ALA 50 -3.635 -11.609 -2.227 422 1HB ALA 50 1HB ALA 50 -3.811 -13.374 -0.681 423 2HB ALA 50 2HB ALA 50 -2.113 -13.249 -0.222 424 3HB ALA 50 3HB ALA 50 -3.249 -11.988 0.254 425 H LEU 51 H LEU 51 -0.234 -11.900 -1.233 426 HA LEU 51 HA LEU 51 0.072 -9.421 -0.031 427 1HB LEU 51 1HB LEU 51 1.866 -11.407 -1.277 428 2HB LEU 51 2HB LEU 51 2.516 -9.784 -1.132 429 HG LEU 51 HG LEU 51 1.511 -10.184 1.377 430 1HD1 LEU 51 1HD1 LEU 51 1.421 -12.323 1.982 431 2HD1 LEU 51 2HD1 LEU 51 1.446 -12.714 0.262 432 3HD1 LEU 51 3HD1 LEU 51 2.950 -12.695 1.184 433 1HD2 LEU 51 1HD2 LEU 51 4.269 -11.139 0.809 434 2HD2 LEU 51 2HD2 LEU 51 3.850 -9.484 0.370 435 3HD2 LEU 51 3HD2 LEU 51 3.690 -10.021 2.043 436 H MET 52 H MET 52 0.689 -10.285 -3.434 437 HA MET 52 HA MET 52 1.539 -7.803 -4.331 438 1HB MET 52 1HB MET 52 1.373 -10.118 -5.540 439 2HB MET 52 2HB MET 52 -0.193 -9.518 -6.071 440 1HG MET 52 1HG MET 52 1.459 -9.070 -7.756 441 2HG MET 52 2HG MET 52 0.912 -7.553 -7.046 442 1HE MET 52 1HE MET 52 3.587 -6.264 -4.934 443 2HE MET 52 2HE MET 52 3.254 -5.648 -6.553 444 3HE MET 52 3HE MET 52 1.931 -6.229 -5.540 445 H GLN 53 H GLN 53 -1.774 -9.063 -4.111 446 HA GLN 53 HA GLN 53 -2.940 -6.681 -5.196 447 1HB GLN 53 1HB GLN 53 -5.071 -7.697 -4.671 448 2HB GLN 53 2HB GLN 53 -4.012 -8.907 -5.382 449 1HG GLN 53 1HG GLN 53 -3.646 -9.950 -3.298 450 2HG GLN 53 2HG GLN 53 -4.367 -8.604 -2.416 451 1HE2 GLN 53 1HE2 GLN 53 -6.912 -11.179 -2.384 452 2HE2 GLN 53 2HE2 GLN 53 -5.373 -10.845 -1.674 453 H GLU 54 H GLU 54 -2.162 -7.861 -2.003 454 HA GLU 54 HA GLU 54 -3.770 -6.099 -0.502 455 1HB GLU 54 1HB GLU 54 -1.873 -8.118 0.030 456 2HB GLU 54 2HB GLU 54 -1.295 -6.676 0.854 457 1HG GLU 54 1HG GLU 54 -2.730 -7.050 2.487 458 2HG GLU 54 2HG GLU 54 -4.064 -6.857 1.351 459 H LEU 55 H LEU 55 -0.343 -5.885 -1.448 460 HA LEU 55 HA LEU 55 0.140 -3.364 -0.312 461 1HB LEU 55 1HB LEU 55 1.982 -4.749 -0.884 462 2HB LEU 55 2HB LEU 55 1.449 -4.893 -2.546 463 HG LEU 55 HG LEU 55 1.864 -2.306 -2.608 464 1HD1 LEU 55 1HD1 LEU 55 3.042 -3.133 -0.049 465 2HD1 LEU 55 2HD1 LEU 55 4.094 -2.164 -1.082 466 3HD1 LEU 55 3HD1 LEU 55 2.515 -1.543 -0.599 467 1HD2 LEU 55 1HD2 LEU 55 3.216 -4.510 -3.472 468 2HD2 LEU 55 2HD2 LEU 55 3.644 -2.842 -3.857 469 3HD2 LEU 55 3HD2 LEU 55 4.448 -3.674 -2.525 470 H ASN 56 H ASN 56 -0.939 -4.322 -3.540 471 HA ASN 56 HA ASN 56 -0.854 -1.768 -4.722 472 1HB ASN 56 1HB ASN 56 -1.485 -4.341 -5.556 473 2HB ASN 56 2HB ASN 56 -2.998 -3.461 -5.740 474 1HD2 ASN 56 1HD2 ASN 56 -0.052 -3.009 -8.386 475 2HD2 ASN 56 2HD2 ASN 56 -0.056 -4.196 -7.131 476 H SER 57 H SER 57 -3.116 -3.248 -2.554 477 HA SER 57 HA SER 57 -5.281 -1.451 -3.140 478 1HB SER 57 1HB SER 57 -5.644 -3.753 -2.267 479 2HB SER 57 2HB SER 57 -4.912 -3.257 -0.741 480 HG SER 57 HG SER 57 -7.137 -1.922 -1.869 481 H LEU 58 H LEU 58 -2.984 -1.817 -0.441 482 HA LEU 58 HA LEU 58 -3.922 0.469 0.959 483 1HB LEU 58 1HB LEU 58 -1.330 -1.059 1.139 484 2HB LEU 58 2HB LEU 58 -1.760 0.253 2.219 485 HG LEU 58 HG LEU 58 -3.664 -2.023 1.972 486 1HD1 LEU 58 1HD1 LEU 58 -0.952 -2.154 3.227 487 2HD1 LEU 58 2HD1 LEU 58 -2.302 -3.050 3.922 488 3HD1 LEU 58 3HD1 LEU 58 -1.800 -3.362 2.262 489 1HD2 LEU 58 1HD2 LEU 58 -2.840 -0.036 4.059 490 2HD2 LEU 58 2HD2 LEU 58 -4.439 -0.347 3.387 491 3HD2 LEU 58 3HD2 LEU 58 -3.710 -1.504 4.500 492 H TRP 59 H TRP 59 -1.663 0.015 -1.635 493 HA TRP 59 HA TRP 59 -0.527 2.674 -1.323 494 1HB TRP 59 1HB TRP 59 1.034 0.977 -1.946 495 2HB TRP 59 2HB TRP 59 -0.021 0.388 -3.221 496 HD1 TRP 59 HD1 TRP 59 0.499 1.213 -5.576 497 HE1 TRP 59 HE1 TRP 59 1.983 3.046 -6.600 498 HE3 TRP 59 HE3 TRP 59 1.966 3.580 -1.282 499 HZ2 TRP 59 HZ2 TRP 59 3.565 5.199 -5.714 500 HZ3 TRP 59 HZ3 TRP 59 3.471 5.515 -1.464 501 HH2 TRP 59 HH2 TRP 59 4.252 6.308 -3.635 502 H GLY 60 H GLY 60 -3.004 1.016 -3.069 503 1HA GLY 60 1HA GLY 60 -3.226 2.847 -5.247 504 2HA GLY 60 2HA GLY 60 -4.429 1.664 -4.761 505 H THR 61 H THR 61 -5.496 2.299 -2.527 506 HA THR 61 HA THR 61 -7.024 4.593 -2.907 507 HB THR 61 HB THR 61 -7.075 2.568 -1.111 508 HG1 THR 61 HG1 THR 61 -8.753 4.152 -1.717 509 1HG2 THR 61 1HG2 THR 61 -6.129 4.920 0.469 510 2HG2 THR 61 2HG2 THR 61 -7.006 3.550 1.145 511 3HG2 THR 61 3HG2 THR 61 -5.425 3.302 0.400 512 H PHE 62 H PHE 62 -4.219 4.005 -0.930 513 HA PHE 62 HA PHE 62 -3.665 6.429 0.234 514 1HB PHE 62 1HB PHE 62 -2.301 4.431 0.568 515 2HB PHE 62 2HB PHE 62 -1.781 4.481 -1.118 516 HD1 PHE 62 HD1 PHE 62 -2.010 7.568 0.822 517 HD2 PHE 62 HD2 PHE 62 0.548 4.406 -0.467 518 HE1 PHE 62 HE1 PHE 62 -0.044 8.900 1.465 519 HE2 PHE 62 HE2 PHE 62 2.512 5.741 0.180 520 HZ PHE 62 HZ PHE 62 2.218 7.983 1.139 521 H LYS 63 H LYS 63 -2.704 5.289 -2.946 522 HA LYS 63 HA LYS 63 -1.374 7.509 -3.906 523 1HB LYS 63 1HB LYS 63 -2.338 5.026 -4.882 524 2HB LYS 63 2HB LYS 63 -2.855 6.254 -6.009 525 1HG LYS 63 1HG LYS 63 -0.513 7.029 -6.182 526 2HG LYS 63 2HG LYS 63 -0.036 5.698 -5.126 527 1HD LYS 63 1HD LYS 63 -1.394 5.427 -7.807 528 2HD LYS 63 2HD LYS 63 0.318 5.147 -7.487 529 1HE LYS 63 1HE LYS 63 -0.087 3.068 -6.815 530 2HE LYS 63 2HE LYS 63 -1.307 3.609 -5.665 531 1HZ LYS 63 1HZ LYS 63 -2.701 2.497 -6.999 532 2HZ LYS 63 2HZ LYS 63 -2.582 3.828 -8.035 533 3HZ LYS 63 3HZ LYS 63 -1.617 2.464 -8.296 534 H THR 64 H THR 64 -4.849 6.778 -3.972 535 HA THR 64 HA THR 64 -5.803 8.727 -5.643 536 HB THR 64 HB THR 64 -7.003 7.993 -2.963 537 HG1 THR 64 HG1 THR 64 -8.151 6.446 -4.209 538 1HG2 THR 64 1HG2 THR 64 -9.092 8.658 -3.769 539 2HG2 THR 64 2HG2 THR 64 -7.998 9.975 -4.191 540 3HG2 THR 64 3HG2 THR 64 -8.499 8.816 -5.423 541 H GLU 65 H GLU 65 -4.694 9.058 -2.331 542 HA GLU 65 HA GLU 65 -5.226 11.909 -2.277 543 1HB GLU 65 1HB GLU 65 -3.592 10.448 -0.224 544 2HB GLU 65 2HB GLU 65 -4.614 11.862 -0.018 545 1HG GLU 65 1HG GLU 65 -5.966 9.369 -0.839 546 2HG GLU 65 2HG GLU 65 -5.302 9.418 0.792 547 H VAL 66 H VAL 66 -2.576 9.687 -2.763 548 HA VAL 66 HA VAL 66 -0.386 11.272 -2.386 549 HB VAL 66 HB VAL 66 -0.838 9.122 -4.420 550 1HG1 VAL 66 1HG1 VAL 66 1.423 9.111 -5.029 551 2HG1 VAL 66 2HG1 VAL 66 0.972 10.811 -5.094 552 3HG1 VAL 66 3HG1 VAL 66 1.878 10.192 -3.715 553 1HG2 VAL 66 1HG2 VAL 66 0.505 7.789 -2.894 554 2HG2 VAL 66 2HG2 VAL 66 0.756 9.195 -1.859 555 3HG2 VAL 66 3HG2 VAL 66 -0.858 8.505 -2.033 556 H TYR 67 H TYR 67 -2.151 10.892 -5.455 557 HA TYR 67 HA TYR 67 -0.740 12.712 -6.982 558 1HB TYR 67 1HB TYR 67 -3.359 11.437 -7.097 559 2HB TYR 67 2HB TYR 67 -3.381 13.052 -7.799 560 HD1 TYR 67 HD1 TYR 67 -1.440 9.864 -7.913 561 HD2 TYR 67 HD2 TYR 67 -2.714 13.343 -10.008 562 HE1 TYR 67 HE1 TYR 67 -0.461 8.969 -9.984 563 HE2 TYR 67 HE2 TYR 67 -1.739 12.455 -12.083 564 HH TYR 67 HH TYR 67 -1.114 10.299 -13.044 565 H ASN 68 H ASN 68 -3.072 13.257 -4.462 566 HA ASN 68 HA ASN 68 -3.292 16.091 -5.067 567 1HB ASN 68 1HB ASN 68 -4.667 14.211 -3.191 568 2HB ASN 68 2HB ASN 68 -4.705 15.939 -2.846 569 1HD2 ASN 68 1HD2 ASN 68 -7.140 14.361 -5.581 570 2HD2 ASN 68 2HD2 ASN 68 -6.136 13.428 -4.528 571 H LEU 69 H LEU 69 -1.474 13.998 -2.990 572 HA LEU 69 HA LEU 69 -0.892 15.902 -0.965 573 1HB LEU 69 1HB LEU 69 0.459 14.316 -0.023 574 2HB LEU 69 2HB LEU 69 -0.569 13.298 -1.007 575 HG LEU 69 HG LEU 69 1.331 13.517 -2.779 576 1HD1 LEU 69 1HD1 LEU 69 3.127 14.678 -2.182 577 2HD1 LEU 69 2HD1 LEU 69 2.436 14.985 -0.592 578 3HD1 LEU 69 3HD1 LEU 69 3.408 13.540 -0.868 579 1HD2 LEU 69 1HD2 LEU 69 1.636 11.385 -2.233 580 2HD2 LEU 69 2HD2 LEU 69 2.473 11.837 -0.748 581 3HD2 LEU 69 3HD2 LEU 69 0.717 11.671 -0.755 582 H ARG 70 H ARG 70 0.096 15.685 -4.193 583 HA ARG 70 HA ARG 70 2.653 16.938 -3.791 584 1HB ARG 70 1HB ARG 70 1.347 15.576 -5.950 585 2HB ARG 70 2HB ARG 70 1.927 17.137 -6.511 586 1HG ARG 70 1HG ARG 70 3.586 15.418 -6.899 587 2HG ARG 70 2HG ARG 70 4.176 16.585 -5.713 588 1HD ARG 70 1HD ARG 70 3.155 14.889 -4.000 589 2HD ARG 70 2HD ARG 70 3.317 13.751 -5.334 590 HE ARG 70 HE ARG 70 5.537 13.660 -4.866 591 1HH1 ARG 70 1HH1 ARG 70 5.866 17.216 -3.055 592 2HH1 ARG 70 2HH1 ARG 70 4.354 16.745 -3.746 593 1HH2 ARG 70 1HH2 ARG 70 7.666 15.819 -3.170 594 2HH2 ARG 70 2HH2 ARG 70 7.528 14.280 -3.952 595 H MET 71 H MET 71 -0.316 18.037 -3.513 596 HA MET 71 HA MET 71 0.373 20.725 -4.491 597 1HB MET 71 1HB MET 71 -2.358 19.441 -4.312 598 2HB MET 71 2HB MET 71 -2.073 21.128 -4.719 599 1HG MET 71 1HG MET 71 -0.464 19.737 -6.485 600 2HG MET 71 2HG MET 71 -1.928 18.761 -6.380 601 1HE MET 71 1HE MET 71 -1.073 19.824 -9.037 602 2HE MET 71 2HE MET 71 -2.716 19.185 -8.961 603 3HE MET 71 3HE MET 71 -2.411 20.749 -9.720 604 H ASN 72 H ASN 72 -1.100 18.795 -1.952 605 HA ASN 72 HA ASN 72 -2.005 20.815 -0.263 606 1HB ASN 72 1HB ASN 72 -1.000 18.025 0.236 607 2HB ASN 72 2HB ASN 72 -1.470 19.065 1.576 608 1HD2 ASN 72 1HD2 ASN 72 -4.226 17.179 -0.646 609 2HD2 ASN 72 2HD2 ASN 72 -2.527 16.984 -0.878 610 H LEU 73 H LEU 73 -1.070 21.718 1.657 611 HA LEU 73 HA LEU 73 1.866 21.930 1.511 612 1HB LEU 73 1HB LEU 73 -0.143 23.997 2.405 613 2HB LEU 73 2HB LEU 73 1.597 24.190 2.489 614 HG LEU 73 HG LEU 73 0.938 23.497 -0.192 615 1HD1 LEU 73 1HD1 LEU 73 -0.650 25.049 -0.872 616 2HD1 LEU 73 2HD1 LEU 73 -1.332 24.401 0.620 617 3HD1 LEU 73 3HD1 LEU 73 -0.533 25.973 0.627 618 1HD2 LEU 73 1HD2 LEU 73 1.934 26.009 1.136 619 2HD2 LEU 73 2HD2 LEU 73 2.889 24.744 0.363 620 3HD2 LEU 73 3HD2 LEU 73 1.856 25.787 -0.612 621 H GLY 74 H GLY 74 -0.893 22.153 3.755 622 1HA GLY 74 1HA GLY 74 0.885 21.071 5.852 623 2HA GLY 74 2HA GLY 74 -0.299 22.325 6.184 624 H GLY 75 H GLY 75 -0.065 19.017 4.891 625 1HA GLY 75 1HA GLY 75 -2.825 18.462 5.514 626 2HA GLY 75 2HA GLY 75 -1.643 17.317 4.898 627 H THR 76 H THR 76 -0.334 16.168 6.347 628 HA THR 76 HA THR 76 -1.567 15.596 8.850 629 HB THR 76 HB THR 76 1.161 14.735 7.870 630 HG1 THR 76 HG1 THR 76 -1.415 13.680 7.401 631 1HG2 THR 76 1HG2 THR 76 0.421 14.338 10.324 632 2HG2 THR 76 2HG2 THR 76 -0.614 13.099 9.614 633 3HG2 THR 76 3HG2 THR 76 1.134 13.019 9.394 634 H GLY 77 H GLY 77 -1.101 16.297 10.856 635 1HA GLY 77 1HA GLY 77 1.010 17.028 12.196 636 2HA GLY 77 2HA GLY 77 0.948 18.389 11.086 637 H PHE 78 H PHE 78 -1.556 19.167 10.942 638 HA PHE 78 HA PHE 78 -2.080 20.193 13.587 639 1HB PHE 78 1HB PHE 78 -2.523 21.093 10.967 640 2HB PHE 78 2HB PHE 78 -4.127 20.834 11.643 641 HD1 PHE 78 HD1 PHE 78 -0.964 22.032 13.205 642 HD2 PHE 78 HD2 PHE 78 -5.000 22.899 12.169 643 HE1 PHE 78 HE1 PHE 78 -0.802 24.181 14.394 644 HE2 PHE 78 HE2 PHE 78 -4.844 25.050 13.355 645 HZ PHE 78 HZ PHE 78 -2.744 25.693 14.467 646 H GLN 79 H GLN 79 -3.179 19.026 15.013 647 HA GLN 79 HA GLN 79 -5.008 16.959 14.189 648 1HB GLN 79 1HB GLN 79 -3.395 17.245 16.350 649 2HB GLN 79 2HB GLN 79 -4.933 17.748 17.033 650 1HG GLN 79 1HG GLN 79 -5.816 15.557 15.931 651 2HG GLN 79 2HG GLN 79 -4.116 15.095 15.961 652 1HE2 GLN 79 1HE2 GLN 79 -5.855 13.974 19.066 653 2HE2 GLN 79 2HE2 GLN 79 -6.166 13.787 17.376 Start of MODEL 47 1 1H MET 1 1H MET 1 -11.961 -0.538 -6.205 2 2H MET 1 2H MET 1 -13.403 -0.344 -7.115 3 3H MET 1 3H MET 1 -12.507 1.033 -6.619 4 HA MET 1 HA MET 1 -14.563 0.510 -5.347 5 1HB MET 1 1HB MET 1 -12.755 -1.630 -4.210 6 2HB MET 1 2HB MET 1 -14.414 -1.286 -3.739 7 1HG MET 1 1HG MET 1 -13.575 -2.267 -6.456 8 2HG MET 1 2HG MET 1 -14.177 -3.293 -5.156 9 1HE MET 1 1HE MET 1 -14.747 -2.371 -8.157 10 2HE MET 1 2HE MET 1 -16.489 -2.578 -8.348 11 3HE MET 1 3HE MET 1 -15.797 -0.957 -8.267 12 H ASP 2 H ASP 2 -14.582 2.112 -3.916 13 HA ASP 2 HA ASP 2 -12.257 3.410 -3.029 14 1HB ASP 2 1HB ASP 2 -15.164 3.625 -2.461 15 2HB ASP 2 2HB ASP 2 -14.073 4.328 -1.271 16 H ARG 3 H ARG 3 -10.877 2.899 -1.480 17 HA ARG 3 HA ARG 3 -11.821 1.534 0.921 18 1HB ARG 3 1HB ARG 3 -10.599 0.097 -1.084 19 2HB ARG 3 2HB ARG 3 -9.253 0.486 -0.024 20 1HG ARG 3 1HG ARG 3 -9.937 -1.496 0.875 21 2HG ARG 3 2HG ARG 3 -10.882 -0.364 1.846 22 1HD ARG 3 1HD ARG 3 -12.714 -1.449 1.207 23 2HD ARG 3 2HD ARG 3 -12.426 -0.866 -0.432 24 HE ARG 3 HE ARG 3 -10.943 -3.237 0.219 25 1HH1 ARG 3 1HH1 ARG 3 -14.408 -3.465 -1.780 26 2HH1 ARG 3 2HH1 ARG 3 -13.995 -2.006 -0.941 27 1HH2 ARG 3 1HH2 ARG 3 -12.983 -5.255 -1.742 28 2HH2 ARG 3 2HH2 ARG 3 -11.485 -5.157 -0.879 29 H VAL 4 H VAL 4 -11.456 3.452 2.050 30 HA VAL 4 HA VAL 4 -8.843 4.680 1.960 31 HB VAL 4 HB VAL 4 -9.734 6.202 3.710 32 1HG1 VAL 4 1HG1 VAL 4 -11.584 5.915 1.348 33 2HG1 VAL 4 2HG1 VAL 4 -11.240 7.385 2.261 34 3HG1 VAL 4 3HG1 VAL 4 -9.978 6.642 1.277 35 1HG2 VAL 4 1HG2 VAL 4 -12.438 4.996 3.304 36 2HG2 VAL 4 2HG2 VAL 4 -11.360 4.347 4.537 37 3HG2 VAL 4 3HG2 VAL 4 -11.858 6.036 4.604 38 H LEU 5 H LEU 5 -7.196 4.176 3.173 39 HA LEU 5 HA LEU 5 -7.515 2.243 5.312 40 1HB LEU 5 1HB LEU 5 -4.926 2.441 5.285 41 2HB LEU 5 2HB LEU 5 -5.755 1.575 4.021 42 HG LEU 5 HG LEU 5 -5.571 3.586 2.590 43 1HD1 LEU 5 1HD1 LEU 5 -4.521 4.671 5.062 44 2HD1 LEU 5 2HD1 LEU 5 -3.511 5.000 3.656 45 3HD1 LEU 5 3HD1 LEU 5 -5.205 5.487 3.659 46 1HD2 LEU 5 1HD2 LEU 5 -3.459 1.824 3.466 47 2HD2 LEU 5 2HD2 LEU 5 -3.895 2.347 1.840 48 3HD2 LEU 5 3HD2 LEU 5 -2.833 3.345 2.834 49 H SER 6 H SER 6 -7.042 2.562 7.430 50 HA SER 6 HA SER 6 -6.957 5.326 8.312 51 1HB SER 6 1HB SER 6 -7.361 4.406 10.554 52 2HB SER 6 2HB SER 6 -8.522 3.756 9.397 53 HG SER 6 HG SER 6 -7.731 2.072 10.631 54 H ARG 7 H ARG 7 -5.586 5.287 10.636 55 HA ARG 7 HA ARG 7 -2.941 5.571 9.825 56 1HB ARG 7 1HB ARG 7 -3.990 6.626 11.844 57 2HB ARG 7 2HB ARG 7 -3.853 5.074 12.658 58 1HG ARG 7 1HG ARG 7 -1.716 5.423 13.153 59 2HG ARG 7 2HG ARG 7 -1.334 5.875 11.490 60 1HD ARG 7 1HD ARG 7 -1.995 8.135 11.879 61 2HD ARG 7 2HD ARG 7 -2.653 7.729 13.460 62 HE ARG 7 HE ARG 7 0.222 7.655 12.803 63 1HH1 ARG 7 1HH1 ARG 7 -1.314 8.741 16.340 64 2HH1 ARG 7 2HH1 ARG 7 -2.379 8.253 15.069 65 1HH2 ARG 7 1HH2 ARG 7 0.943 8.767 16.011 66 2HH2 ARG 7 2HH2 ARG 7 1.607 8.299 14.481 67 H ALA 8 H ALA 8 -4.600 2.805 11.207 68 HA ALA 8 HA ALA 8 -2.249 1.294 11.755 69 1HB ALA 8 1HB ALA 8 -5.106 0.400 11.387 70 2HB ALA 8 2HB ALA 8 -3.796 -0.610 11.999 71 3HB ALA 8 3HB ALA 8 -4.316 0.807 12.910 72 H ASP 9 H ASP 9 -4.641 1.129 9.110 73 HA ASP 9 HA ASP 9 -3.376 -0.929 7.687 74 1HB ASP 9 1HB ASP 9 -5.013 1.284 6.460 75 2HB ASP 9 2HB ASP 9 -4.794 -0.348 5.845 76 H LYS 10 H LYS 10 -3.153 2.618 7.242 77 HA LYS 10 HA LYS 10 -1.308 2.518 5.127 78 1HB LYS 10 1HB LYS 10 -0.815 4.850 5.622 79 2HB LYS 10 2HB LYS 10 -2.546 4.560 5.715 80 1HG LYS 10 1HG LYS 10 -2.633 5.250 7.818 81 2HG LYS 10 2HG LYS 10 -1.287 4.210 8.284 82 1HD LYS 10 1HD LYS 10 0.267 5.857 7.995 83 2HD LYS 10 2HD LYS 10 -0.658 6.652 6.719 84 1HE LYS 10 1HE LYS 10 -2.091 7.697 8.267 85 2HE LYS 10 2HE LYS 10 -1.569 6.646 9.581 86 1HZ LYS 10 1HZ LYS 10 0.086 8.724 8.258 87 2HZ LYS 10 2HZ LYS 10 -0.604 8.834 9.799 88 3HZ LYS 10 3HZ LYS 10 0.611 7.697 9.496 89 H GLU 11 H GLU 11 -0.926 2.270 8.587 90 HA GLU 11 HA GLU 11 1.889 2.621 8.697 91 1HB GLU 11 1HB GLU 11 -0.112 2.245 10.562 92 2HB GLU 11 2HB GLU 11 0.771 0.732 10.645 93 1HG GLU 11 1HG GLU 11 2.731 1.772 11.326 94 2HG GLU 11 2HG GLU 11 2.195 3.358 10.778 95 H ARG 12 H ARG 12 -0.241 -0.078 8.082 96 HA ARG 12 HA ARG 12 1.735 -2.119 8.152 97 1HB ARG 12 1HB ARG 12 -0.568 -2.726 8.450 98 2HB ARG 12 2HB ARG 12 -1.023 -1.970 6.930 99 1HG ARG 12 1HG ARG 12 -1.029 -4.326 6.617 100 2HG ARG 12 2HG ARG 12 0.357 -3.666 5.746 101 1HD ARG 12 1HD ARG 12 1.560 -5.221 6.804 102 2HD ARG 12 2HD ARG 12 1.396 -4.202 8.233 103 HE ARG 12 HE ARG 12 -0.824 -5.677 8.378 104 1HH1 ARG 12 1HH1 ARG 12 2.318 -8.158 8.517 105 2HH1 ARG 12 2HH1 ARG 12 2.496 -6.591 7.805 106 1HH2 ARG 12 1HH2 ARG 12 0.299 -8.809 9.374 107 2HH2 ARG 12 2HH2 ARG 12 -1.058 -7.734 9.316 108 H LEU 13 H LEU 13 0.639 0.155 5.766 109 HA LEU 13 HA LEU 13 1.656 -1.141 3.461 110 1HB LEU 13 1HB LEU 13 0.021 0.582 3.201 111 2HB LEU 13 2HB LEU 13 0.999 1.733 4.087 112 HG LEU 13 HG LEU 13 2.661 1.153 2.011 113 1HD1 LEU 13 1HD1 LEU 13 0.003 1.358 0.681 114 2HD1 LEU 13 2HD1 LEU 13 1.546 0.823 0.025 115 3HD1 LEU 13 3HD1 LEU 13 0.644 -0.221 1.122 116 1HD2 LEU 13 1HD2 LEU 13 2.382 3.337 1.485 117 2HD2 LEU 13 2HD2 LEU 13 0.619 3.227 1.481 118 3HD2 LEU 13 3HD2 LEU 13 1.495 3.343 3.010 119 H LEU 14 H LEU 14 3.020 0.963 5.890 120 HA LEU 14 HA LEU 14 5.448 1.505 4.481 121 1HB LEU 14 1HB LEU 14 4.493 1.918 7.291 122 2HB LEU 14 2HB LEU 14 6.180 2.180 6.882 123 HG LEU 14 HG LEU 14 3.803 3.634 5.725 124 1HD1 LEU 14 1HD1 LEU 14 4.077 4.881 7.556 125 2HD1 LEU 14 2HD1 LEU 14 5.634 4.144 7.934 126 3HD1 LEU 14 3HD1 LEU 14 5.545 5.472 6.777 127 1HD2 LEU 14 1HD2 LEU 14 6.406 3.182 4.621 128 2HD2 LEU 14 2HD2 LEU 14 5.055 4.097 3.954 129 3HD2 LEU 14 3HD2 LEU 14 6.218 4.890 5.016 130 H GLU 15 H GLU 15 4.413 -0.824 6.908 131 HA GLU 15 HA GLU 15 6.861 -1.888 7.663 132 1HB GLU 15 1HB GLU 15 4.347 -2.415 8.365 133 2HB GLU 15 2HB GLU 15 4.577 -3.755 7.250 134 1HG GLU 15 1HG GLU 15 5.121 -4.601 9.360 135 2HG GLU 15 2HG GLU 15 6.667 -4.310 8.564 136 H LEU 16 H LEU 16 4.776 -2.801 4.949 137 HA LEU 16 HA LEU 16 6.622 -4.786 3.990 138 1HB LEU 16 1HB LEU 16 4.012 -3.666 3.051 139 2HB LEU 16 2HB LEU 16 4.997 -4.594 1.939 140 HG LEU 16 HG LEU 16 4.945 -6.496 3.551 141 1HD1 LEU 16 1HD1 LEU 16 2.609 -5.567 4.990 142 2HD1 LEU 16 2HD1 LEU 16 4.075 -6.336 5.593 143 3HD1 LEU 16 3HD1 LEU 16 4.033 -4.594 5.347 144 1HD2 LEU 16 1HD2 LEU 16 3.449 -6.678 1.763 145 2HD2 LEU 16 2HD2 LEU 16 2.457 -6.960 3.193 146 3HD2 LEU 16 3HD2 LEU 16 2.411 -5.393 2.382 147 H LEU 17 H LEU 17 6.385 -1.422 3.733 148 HA LEU 17 HA LEU 17 7.652 -1.247 1.125 149 1HB LEU 17 1HB LEU 17 6.399 0.641 3.031 150 2HB LEU 17 2HB LEU 17 7.662 1.283 2.004 151 HG LEU 17 HG LEU 17 5.139 1.412 1.290 152 1HD1 LEU 17 1HD1 LEU 17 6.854 2.320 -0.064 153 2HD1 LEU 17 2HD1 LEU 17 7.447 0.718 -0.500 154 3HD1 LEU 17 3HD1 LEU 17 5.886 1.270 -1.097 155 1HD2 LEU 17 1HD2 LEU 17 5.704 -1.054 -0.232 156 2HD2 LEU 17 2HD2 LEU 17 5.226 -1.264 1.454 157 3HD2 LEU 17 3HD2 LEU 17 4.171 -0.396 0.339 158 H LYS 18 H LYS 18 8.692 -1.667 4.300 159 HA LYS 18 HA LYS 18 10.715 -1.441 5.333 160 1HB LYS 18 1HB LYS 18 11.272 -2.015 2.535 161 2HB LYS 18 2HB LYS 18 12.558 -1.084 3.286 162 1HG LYS 18 1HG LYS 18 13.328 -2.881 4.330 163 2HG LYS 18 2HG LYS 18 11.742 -3.207 5.033 164 1HD LYS 18 1HD LYS 18 11.419 -4.915 3.643 165 2HD LYS 18 2HD LYS 18 11.746 -3.896 2.242 166 1HE LYS 18 1HE LYS 18 13.713 -4.882 1.940 167 2HE LYS 18 2HE LYS 18 14.205 -4.474 3.583 168 1HZ LYS 18 1HZ LYS 18 14.047 -6.945 2.817 169 2HZ LYS 18 2HZ LYS 18 13.566 -6.503 4.378 170 3HZ LYS 18 3HZ LYS 18 12.404 -6.754 3.173 171 H LEU 19 H LEU 19 9.139 0.921 4.294 172 HA LEU 19 HA LEU 19 11.234 2.972 4.389 173 1HB LEU 19 1HB LEU 19 9.912 2.915 2.330 174 2HB LEU 19 2HB LEU 19 8.434 3.055 3.260 175 HG LEU 19 HG LEU 19 10.318 5.237 3.752 176 1HD1 LEU 19 1HD1 LEU 19 9.706 4.437 1.008 177 2HD1 LEU 19 2HD1 LEU 19 9.280 6.107 1.378 178 3HD1 LEU 19 3HD1 LEU 19 10.933 5.544 1.621 179 1HD2 LEU 19 1HD2 LEU 19 8.066 6.405 2.983 180 2HD2 LEU 19 2HD2 LEU 19 7.418 4.799 3.306 181 3HD2 LEU 19 3HD2 LEU 19 8.245 5.687 4.584 182 HA PRO 20 HA PRO 20 9.762 3.451 8.638 183 1HB PRO 20 1HB PRO 20 11.194 6.032 8.184 184 2HB PRO 20 2HB PRO 20 11.271 4.927 9.561 185 1HG PRO 20 1HG PRO 20 13.213 4.977 7.734 186 2HG PRO 20 2HG PRO 20 12.684 3.455 8.473 187 1HD PRO 20 1HD PRO 20 12.192 4.507 5.742 188 2HD PRO 20 2HD PRO 20 12.315 2.828 6.301 189 H ARG 21 H ARG 21 8.628 5.130 9.864 190 HA ARG 21 HA ARG 21 6.565 6.358 8.227 191 1HB ARG 21 1HB ARG 21 5.436 6.758 10.435 192 2HB ARG 21 2HB ARG 21 5.718 5.068 10.045 193 1HG ARG 21 1HG ARG 21 7.755 6.492 11.674 194 2HG ARG 21 2HG ARG 21 6.230 6.042 12.436 195 1HD ARG 21 1HD ARG 21 7.576 3.961 10.823 196 2HD ARG 21 2HD ARG 21 8.360 4.416 12.331 197 HE ARG 21 HE ARG 21 5.659 3.278 12.071 198 1HH1 ARG 21 1HH1 ARG 21 7.894 3.135 15.394 199 2HH1 ARG 21 2HH1 ARG 21 8.431 4.084 14.052 200 1HH2 ARG 21 1HH2 ARG 21 5.934 1.972 15.275 201 2HH2 ARG 21 2HH2 ARG 21 4.970 2.032 13.838 202 H GLN 22 H GLN 22 9.451 7.259 9.645 203 HA GLN 22 HA GLN 22 8.822 9.883 10.529 204 1HB GLN 22 1HB GLN 22 11.063 8.183 10.528 205 2HB GLN 22 2HB GLN 22 11.554 9.619 9.643 206 1HG GLN 22 1HG GLN 22 12.113 10.216 11.772 207 2HG GLN 22 2HG GLN 22 10.479 10.872 11.671 208 1HE2 GLN 22 1HE2 GLN 22 11.177 8.734 14.761 209 2HE2 GLN 22 2HE2 GLN 22 12.184 9.867 13.933 210 H LEU 23 H LEU 23 9.870 8.497 7.496 211 HA LEU 23 HA LEU 23 9.921 11.144 6.268 212 1HB LEU 23 1HB LEU 23 11.119 10.202 4.451 213 2HB LEU 23 2HB LEU 23 11.845 9.608 5.926 214 HG LEU 23 HG LEU 23 11.817 7.843 4.302 215 1HD1 LEU 23 1HD1 LEU 23 11.304 7.251 6.671 216 2HD1 LEU 23 2HD1 LEU 23 9.599 7.230 6.232 217 3HD1 LEU 23 3HD1 LEU 23 10.713 6.091 5.477 218 1HD2 LEU 23 1HD2 LEU 23 8.857 7.785 4.162 219 2HD2 LEU 23 2HD2 LEU 23 9.740 8.942 3.162 220 3HD2 LEU 23 3HD2 LEU 23 10.061 7.220 3.006 221 H TRP 24 H TRP 24 7.551 9.223 6.997 222 HA TRP 24 HA TRP 24 6.189 8.465 4.699 223 1HB TRP 24 1HB TRP 24 5.434 7.769 6.877 224 2HB TRP 24 2HB TRP 24 5.158 9.433 7.371 225 HD1 TRP 24 HD1 TRP 24 2.849 10.522 6.742 226 HE1 TRP 24 HE1 TRP 24 0.674 9.587 5.730 227 HE3 TRP 24 HE3 TRP 24 4.592 6.018 5.097 228 HZ2 TRP 24 HZ2 TRP 24 -0.188 7.240 4.414 229 HZ3 TRP 24 HZ3 TRP 24 3.034 4.480 3.971 230 HH2 TRP 24 HH2 TRP 24 0.691 5.084 3.634 231 H GLY 25 H GLY 25 6.356 9.979 3.042 232 1HA GLY 25 1HA GLY 25 4.341 11.772 2.626 233 2HA GLY 25 2HA GLY 25 5.580 12.720 3.432 234 H ASP 26 H ASP 26 7.733 11.097 2.165 235 HA ASP 26 HA ASP 26 7.977 12.679 -0.225 236 1HB ASP 26 1HB ASP 26 9.834 11.938 1.453 237 2HB ASP 26 2HB ASP 26 9.856 10.457 0.502 238 H PHE 27 H PHE 27 6.667 12.063 -1.861 239 HA PHE 27 HA PHE 27 5.773 9.515 -2.454 240 1HB PHE 27 1HB PHE 27 4.858 11.599 -3.434 241 2HB PHE 27 2HB PHE 27 6.288 11.717 -4.453 242 HD1 PHE 27 HD1 PHE 27 4.014 8.905 -3.535 243 HD2 PHE 27 HD2 PHE 27 5.762 11.238 -6.637 244 HE1 PHE 27 HE1 PHE 27 2.934 7.473 -5.218 245 HE2 PHE 27 HE2 PHE 27 4.681 9.811 -8.325 246 HZ PHE 27 HZ PHE 27 3.265 7.926 -7.616 247 H GLY 28 H GLY 28 8.800 11.043 -3.335 248 1HA GLY 28 1HA GLY 28 9.533 9.139 -5.323 249 2HA GLY 28 2HA GLY 28 10.610 10.278 -4.534 250 H ARG 29 H ARG 29 10.016 9.286 -1.841 251 HA ARG 29 HA ARG 29 11.893 7.094 -1.866 252 1HB ARG 29 1HB ARG 29 11.174 9.130 -0.045 253 2HB ARG 29 2HB ARG 29 10.825 7.599 0.749 254 1HG ARG 29 1HG ARG 29 13.370 7.428 -0.535 255 2HG ARG 29 2HG ARG 29 13.311 8.886 0.457 256 1HD ARG 29 1HD ARG 29 12.228 7.193 2.192 257 2HD ARG 29 2HD ARG 29 13.160 6.029 1.256 258 HE ARG 29 HE ARG 29 14.238 8.251 2.839 259 1HH1 ARG 29 1HH1 ARG 29 16.436 5.209 1.435 260 2HH1 ARG 29 2HH1 ARG 29 14.791 5.375 0.925 261 1HH2 ARG 29 1HH2 ARG 29 17.350 6.712 2.890 262 2HH2 ARG 29 2HH2 ARG 29 16.399 8.027 3.497 263 H MET 30 H MET 30 8.470 7.547 -1.125 264 HA MET 30 HA MET 30 8.069 4.965 -0.027 265 1HB MET 30 1HB MET 30 5.645 5.408 -0.477 266 2HB MET 30 2HB MET 30 6.456 6.654 0.464 267 1HG MET 30 1HG MET 30 6.616 8.068 -1.483 268 2HG MET 30 2HG MET 30 5.912 6.810 -2.489 269 1HE MET 30 1HE MET 30 4.417 7.852 1.249 270 2HE MET 30 2HE MET 30 5.572 8.976 0.532 271 3HE MET 30 3HE MET 30 3.866 9.411 0.637 272 H GLN 31 H GLN 31 7.622 6.277 -3.297 273 HA GLN 31 HA GLN 31 6.596 3.901 -4.427 274 1HB GLN 31 1HB GLN 31 6.589 6.281 -5.410 275 2HB GLN 31 2HB GLN 31 8.226 5.925 -5.951 276 1HG GLN 31 1HG GLN 31 7.359 3.978 -7.191 277 2HG GLN 31 2HG GLN 31 5.725 4.426 -6.705 278 1HE2 GLN 31 1HE2 GLN 31 6.333 5.740 -10.094 279 2HE2 GLN 31 2HE2 GLN 31 6.321 4.186 -9.339 280 H GLN 32 H GLN 32 9.873 5.183 -4.092 281 HA GLN 32 HA GLN 32 11.255 3.293 -5.600 282 1HB GLN 32 1HB GLN 32 12.216 5.377 -4.589 283 2HB GLN 32 2HB GLN 32 12.213 4.564 -3.030 284 1HG GLN 32 1HG GLN 32 13.890 3.088 -3.653 285 2HG GLN 32 2HG GLN 32 13.620 3.355 -5.374 286 1HE2 GLN 32 1HE2 GLN 32 16.688 5.119 -4.781 287 2HE2 GLN 32 2HE2 GLN 32 16.079 3.517 -4.998 288 H ALA 33 H ALA 33 9.956 3.143 -2.358 289 HA ALA 33 HA ALA 33 11.221 0.638 -1.716 290 1HB ALA 33 1HB ALA 33 10.826 1.604 0.275 291 2HB ALA 33 2HB ALA 33 9.495 2.578 -0.349 292 3HB ALA 33 3HB ALA 33 9.220 0.899 0.107 293 H TYR 34 H TYR 34 7.961 1.723 -2.618 294 HA TYR 34 HA TYR 34 6.622 -0.701 -2.441 295 1HB TYR 34 1HB TYR 34 5.508 1.475 -2.866 296 2HB TYR 34 2HB TYR 34 6.167 1.475 -4.498 297 HD1 TYR 34 HD1 TYR 34 3.389 0.559 -2.488 298 HD2 TYR 34 HD2 TYR 34 5.571 -0.589 -5.965 299 HE1 TYR 34 HE1 TYR 34 1.462 -0.755 -3.278 300 HE2 TYR 34 HE2 TYR 34 3.639 -1.882 -6.761 301 HH TYR 34 HH TYR 34 0.548 -1.614 -5.362 302 H LYS 35 H LYS 35 8.457 0.663 -5.145 303 HA LYS 35 HA LYS 35 7.947 -1.455 -6.951 304 1HB LYS 35 1HB LYS 35 10.213 0.544 -6.880 305 2HB LYS 35 2HB LYS 35 9.846 -0.512 -8.237 306 1HG LYS 35 1HG LYS 35 7.592 0.559 -8.355 307 2HG LYS 35 2HG LYS 35 8.147 1.714 -7.142 308 1HD LYS 35 1HD LYS 35 9.462 2.821 -8.611 309 2HD LYS 35 2HD LYS 35 9.920 1.348 -9.469 310 1HE LYS 35 1HE LYS 35 7.139 2.427 -9.693 311 2HE LYS 35 2HE LYS 35 8.440 3.120 -10.660 312 1HZ LYS 35 1HZ LYS 35 7.063 1.210 -11.636 313 2HZ LYS 35 2HZ LYS 35 8.745 1.149 -11.806 314 3HZ LYS 35 3HZ LYS 35 7.981 0.208 -10.628 315 H GLN 36 H GLN 36 10.497 -0.848 -4.598 316 HA GLN 36 HA GLN 36 12.264 -2.873 -5.376 317 1HB GLN 36 1HB GLN 36 12.846 -1.083 -3.786 318 2HB GLN 36 2HB GLN 36 11.762 -1.791 -2.596 319 1HG GLN 36 1HG GLN 36 13.290 -3.257 -1.935 320 2HG GLN 36 2HG GLN 36 13.683 -3.716 -3.591 321 1HE2 GLN 36 1HE2 GLN 36 16.608 -2.146 -1.840 322 2HE2 GLN 36 2HE2 GLN 36 15.505 -3.402 -1.410 323 H GLN 37 H GLN 37 9.434 -2.956 -3.268 324 HA GLN 37 HA GLN 37 9.881 -5.761 -2.656 325 1HB GLN 37 1HB GLN 37 7.853 -3.721 -1.792 326 2HB GLN 37 2HB GLN 37 7.632 -5.431 -1.440 327 1HG GLN 37 1HG GLN 37 10.223 -4.172 -0.729 328 2HG GLN 37 2HG GLN 37 8.813 -3.807 0.258 329 1HE2 GLN 37 1HE2 GLN 37 10.828 -7.096 0.971 330 2HE2 GLN 37 2HE2 GLN 37 11.407 -5.690 0.149 331 H SER 38 H SER 38 8.113 -3.862 -4.921 332 HA SER 38 HA SER 38 6.037 -5.693 -5.501 333 1HB SER 38 1HB SER 38 5.565 -4.352 -7.393 334 2HB SER 38 2HB SER 38 6.206 -3.226 -6.196 335 HG SER 38 HG SER 38 8.302 -3.652 -7.291 336 H LEU 39 H LEU 39 9.357 -5.382 -6.590 337 HA LEU 39 HA LEU 39 9.165 -7.190 -8.767 338 1HB LEU 39 1HB LEU 39 11.346 -5.881 -7.253 339 2HB LEU 39 2HB LEU 39 11.770 -7.355 -8.101 340 HG LEU 39 HG LEU 39 10.609 -4.858 -9.335 341 1HD1 LEU 39 1HD1 LEU 39 12.701 -4.203 -9.654 342 2HD1 LEU 39 2HD1 LEU 39 13.261 -5.578 -8.703 343 3HD1 LEU 39 3HD1 LEU 39 13.089 -5.728 -10.452 344 1HD2 LEU 39 1HD2 LEU 39 11.429 -6.381 -11.411 345 2HD2 LEU 39 2HD2 LEU 39 10.839 -7.624 -10.308 346 3HD2 LEU 39 3HD2 LEU 39 9.768 -6.321 -10.823 347 H LEU 40 H LEU 40 10.074 -7.577 -5.367 348 HA LEU 40 HA LEU 40 10.570 -10.400 -5.697 349 1HB LEU 40 1HB LEU 40 10.846 -10.376 -3.213 350 2HB LEU 40 2HB LEU 40 11.929 -9.316 -4.090 351 HG LEU 40 HG LEU 40 9.804 -7.660 -3.463 352 1HD1 LEU 40 1HD1 LEU 40 8.743 -9.118 -1.957 353 2HD1 LEU 40 2HD1 LEU 40 10.276 -9.633 -1.250 354 3HD1 LEU 40 3HD1 LEU 40 9.669 -8.004 -0.951 355 1HD2 LEU 40 1HD2 LEU 40 12.125 -7.020 -3.381 356 2HD2 LEU 40 2HD2 LEU 40 11.383 -6.698 -1.814 357 3HD2 LEU 40 3HD2 LEU 40 12.415 -8.111 -2.027 358 H LEU 41 H LEU 41 7.806 -8.543 -5.386 359 HA LEU 41 HA LEU 41 6.305 -10.577 -3.922 360 1HB LEU 41 1HB LEU 41 5.705 -7.780 -4.822 361 2HB LEU 41 2HB LEU 41 4.410 -8.858 -4.342 362 HG LEU 41 HG LEU 41 6.737 -8.322 -2.519 363 1HD1 LEU 41 1HD1 LEU 41 6.034 -6.145 -2.757 364 2HD1 LEU 41 2HD1 LEU 41 4.363 -6.605 -3.082 365 3HD1 LEU 41 3HD1 LEU 41 5.000 -6.701 -1.440 366 1HD2 LEU 41 1HD2 LEU 41 5.613 -9.567 -1.053 367 2HD2 LEU 41 2HD2 LEU 41 4.105 -8.711 -1.369 368 3HD2 LEU 41 3HD2 LEU 41 4.584 -10.061 -2.397 369 H HIS 42 H HIS 42 7.252 -10.151 -7.034 370 HA HIS 42 HA HIS 42 4.755 -10.825 -8.343 371 1HB HIS 42 1HB HIS 42 6.513 -9.319 -9.347 372 2HB HIS 42 2HB HIS 42 7.540 -10.735 -9.520 373 HD1 HIS 42 HD1 HIS 42 6.510 -8.972 -11.907 374 HD2 HIS 42 HD2 HIS 42 4.849 -12.576 -10.687 375 HE1 HIS 42 HE1 HIS 42 5.324 -9.886 -13.925 376 HE2 HIS 42 HE2 HIS 42 4.447 -12.131 -13.196 377 HA PRO 43 HA PRO 43 5.016 -15.235 -7.589 378 1HB PRO 43 1HB PRO 43 3.779 -15.203 -10.313 379 2HB PRO 43 2HB PRO 43 3.326 -16.140 -8.885 380 1HG PRO 43 1HG PRO 43 1.961 -13.955 -9.598 381 2HG PRO 43 2HG PRO 43 2.235 -14.362 -7.896 382 1HD PRO 43 1HD PRO 43 3.432 -12.211 -9.533 383 2HD PRO 43 2HD PRO 43 3.219 -12.310 -7.776 384 H ASP 44 H ASP 44 6.318 -13.612 -10.394 385 HA ASP 44 HA ASP 44 7.643 -15.931 -11.447 386 1HB ASP 44 1HB ASP 44 6.946 -13.463 -12.471 387 2HB ASP 44 2HB ASP 44 8.693 -13.334 -12.296 388 H LYS 45 H LYS 45 8.394 -13.374 -9.214 389 HA LYS 45 HA LYS 45 11.200 -14.237 -9.102 390 1HB LYS 45 1HB LYS 45 9.992 -11.816 -7.763 391 2HB LYS 45 2HB LYS 45 11.696 -12.158 -8.030 392 1HG LYS 45 1HG LYS 45 9.714 -11.704 -10.247 393 2HG LYS 45 2HG LYS 45 10.717 -10.433 -9.543 394 1HD LYS 45 1HD LYS 45 12.670 -11.313 -10.409 395 2HD LYS 45 2HD LYS 45 11.995 -12.937 -10.554 396 1HE LYS 45 1HE LYS 45 10.436 -11.927 -12.317 397 2HE LYS 45 2HE LYS 45 11.535 -10.548 -12.314 398 1HZ LYS 45 1HZ LYS 45 11.812 -12.987 -13.661 399 2HZ LYS 45 2HZ LYS 45 12.857 -11.657 -13.676 400 3HZ LYS 45 3HZ LYS 45 13.063 -12.881 -12.528 401 H GLY 46 H GLY 46 8.975 -15.765 -7.973 402 1HA GLY 46 1HA GLY 46 8.678 -17.064 -6.096 403 2HA GLY 46 2HA GLY 46 10.123 -16.325 -5.426 404 H GLY 47 H GLY 47 6.857 -15.174 -6.307 405 1HA GLY 47 1HA GLY 47 6.572 -14.202 -3.540 406 2HA GLY 47 2HA GLY 47 6.268 -13.114 -4.886 407 H SER 48 H SER 48 4.340 -13.650 -2.955 408 HA SER 48 HA SER 48 2.507 -15.594 -4.110 409 1HB SER 48 1HB SER 48 2.813 -14.267 -1.522 410 2HB SER 48 2HB SER 48 1.139 -14.315 -2.072 411 HG SER 48 HG SER 48 1.359 -16.570 -2.319 412 H HIS 49 H HIS 49 0.262 -14.990 -4.563 413 HA HIS 49 HA HIS 49 0.164 -12.574 -6.142 414 1HB HIS 49 1HB HIS 49 -0.830 -14.669 -6.981 415 2HB HIS 49 2HB HIS 49 -1.968 -14.661 -5.638 416 HD1 HIS 49 HD1 HIS 49 -1.600 -13.560 -9.062 417 HD2 HIS 49 HD2 HIS 49 -3.747 -12.298 -5.736 418 HE1 HIS 49 HE1 HIS 49 -3.413 -12.066 -9.960 419 HE2 HIS 49 HE2 HIS 49 -4.712 -11.326 -7.930 420 H ALA 50 H ALA 50 -1.574 -13.899 -3.346 421 HA ALA 50 HA ALA 50 -3.316 -11.761 -2.923 422 1HB ALA 50 1HB ALA 50 -3.942 -12.847 -1.037 423 2HB ALA 50 2HB ALA 50 -3.028 -14.160 -1.781 424 3HB ALA 50 3HB ALA 50 -2.281 -13.160 -0.534 425 H LEU 51 H LEU 51 0.067 -12.066 -2.272 426 HA LEU 51 HA LEU 51 0.216 -9.992 -0.307 427 1HB LEU 51 1HB LEU 51 2.108 -11.715 -1.775 428 2HB LEU 51 2HB LEU 51 2.740 -10.157 -1.281 429 HG LEU 51 HG LEU 51 1.642 -10.929 1.046 430 1HD1 LEU 51 1HD1 LEU 51 2.799 -13.527 0.326 431 2HD1 LEU 51 2HD1 LEU 51 1.417 -13.141 1.351 432 3HD1 LEU 51 3HD1 LEU 51 1.231 -13.181 -0.401 433 1HD2 LEU 51 1HD2 LEU 51 3.802 -11.228 1.802 434 2HD2 LEU 51 2HD2 LEU 51 4.317 -12.046 0.328 435 3HD2 LEU 51 3HD2 LEU 51 4.060 -10.301 0.324 436 H MET 52 H MET 52 1.096 -10.169 -3.759 437 HA MET 52 HA MET 52 1.924 -7.508 -4.022 438 1HB MET 52 1HB MET 52 2.071 -9.576 -5.652 439 2HB MET 52 2HB MET 52 0.589 -8.895 -6.306 440 1HG MET 52 1HG MET 52 3.081 -7.263 -5.965 441 2HG MET 52 2HG MET 52 2.769 -8.221 -7.411 442 1HE MET 52 1HE MET 52 2.322 -5.282 -5.390 443 2HE MET 52 2HE MET 52 2.775 -4.505 -6.907 444 3HE MET 52 3HE MET 52 1.182 -4.217 -6.210 445 H GLN 53 H GLN 53 -1.268 -8.982 -4.486 446 HA GLN 53 HA GLN 53 -2.524 -6.598 -5.381 447 1HB GLN 53 1HB GLN 53 -4.651 -7.849 -4.745 448 2HB GLN 53 2HB GLN 53 -3.618 -8.602 -5.952 449 1HG GLN 53 1HG GLN 53 -3.476 -10.433 -4.731 450 2HG GLN 53 2HG GLN 53 -2.820 -9.514 -3.376 451 1HE2 GLN 53 1HE2 GLN 53 -6.329 -11.198 -2.972 452 2HE2 GLN 53 2HE2 GLN 53 -5.079 -11.655 -4.074 453 H GLU 54 H GLU 54 -1.869 -7.942 -2.225 454 HA GLU 54 HA GLU 54 -3.705 -6.451 -0.711 455 1HB GLU 54 1HB GLU 54 -1.832 -8.358 -0.142 456 2HB GLU 54 2HB GLU 54 -1.091 -6.928 0.556 457 1HG GLU 54 1HG GLU 54 -3.145 -6.524 1.847 458 2HG GLU 54 2HG GLU 54 -3.828 -8.008 1.186 459 H LEU 55 H LEU 55 -0.254 -5.824 -1.327 460 HA LEU 55 HA LEU 55 -0.091 -3.342 -0.092 461 1HB LEU 55 1HB LEU 55 1.713 -4.917 -1.149 462 2HB LEU 55 2HB LEU 55 1.453 -3.943 -2.582 463 HG LEU 55 HG LEU 55 2.233 -1.968 -1.491 464 1HD1 LEU 55 1HD1 LEU 55 1.891 -1.650 0.676 465 2HD1 LEU 55 2HD1 LEU 55 1.461 -3.345 0.897 466 3HD1 LEU 55 3HD1 LEU 55 3.145 -2.838 1.028 467 1HD2 LEU 55 1HD2 LEU 55 3.821 -4.413 -1.507 468 2HD2 LEU 55 2HD2 LEU 55 4.208 -2.803 -2.116 469 3HD2 LEU 55 3HD2 LEU 55 4.442 -3.182 -0.409 470 H ASN 56 H ASN 56 -1.136 -4.193 -3.344 471 HA ASN 56 HA ASN 56 -1.195 -1.608 -4.436 472 1HB ASN 56 1HB ASN 56 -2.266 -4.247 -5.131 473 2HB ASN 56 2HB ASN 56 -3.267 -2.913 -5.699 474 1HD2 ASN 56 1HD2 ASN 56 -0.367 -3.934 -7.997 475 2HD2 ASN 56 2HD2 ASN 56 -1.363 -4.913 -6.981 476 H SER 57 H SER 57 -3.377 -3.284 -2.302 477 HA SER 57 HA SER 57 -5.596 -1.526 -2.673 478 1HB SER 57 1HB SER 57 -5.689 -3.903 -1.766 479 2HB SER 57 2HB SER 57 -5.075 -3.248 -0.248 480 HG SER 57 HG SER 57 -6.942 -1.740 -0.448 481 H LEU 58 H LEU 58 -2.889 -1.687 -0.419 482 HA LEU 58 HA LEU 58 -3.872 0.540 1.139 483 1HB LEU 58 1HB LEU 58 -1.204 -0.871 1.226 484 2HB LEU 58 2HB LEU 58 -1.767 0.314 2.388 485 HG LEU 58 HG LEU 58 -3.318 -2.212 1.931 486 1HD1 LEU 58 1HD1 LEU 58 -1.331 -2.100 4.129 487 2HD1 LEU 58 2HD1 LEU 58 -1.970 -3.486 3.245 488 3HD1 LEU 58 3HD1 LEU 58 -0.742 -2.459 2.505 489 1HD2 LEU 58 1HD2 LEU 58 -3.914 -0.035 3.382 490 2HD2 LEU 58 2HD2 LEU 58 -4.423 -1.661 3.828 491 3HD2 LEU 58 3HD2 LEU 58 -2.998 -0.945 4.581 492 H TRP 59 H TRP 59 -1.609 -0.009 -1.468 493 HA TRP 59 HA TRP 59 -0.521 2.673 -1.280 494 1HB TRP 59 1HB TRP 59 1.042 0.920 -1.795 495 2HB TRP 59 2HB TRP 59 0.025 0.328 -3.098 496 HD1 TRP 59 HD1 TRP 59 0.572 1.158 -5.439 497 HE1 TRP 59 HE1 TRP 59 2.120 2.949 -6.442 498 HE3 TRP 59 HE3 TRP 59 2.085 3.466 -1.116 499 HZ2 TRP 59 HZ2 TRP 59 3.764 5.043 -5.538 500 HZ3 TRP 59 HZ3 TRP 59 3.656 5.342 -1.289 501 HH2 TRP 59 HH2 TRP 59 4.474 6.118 -3.451 502 H GLY 60 H GLY 60 -3.066 0.996 -2.834 503 1HA GLY 60 1HA GLY 60 -3.262 2.655 -5.165 504 2HA GLY 60 2HA GLY 60 -4.483 1.539 -4.575 505 H THR 61 H THR 61 -5.429 2.361 -2.320 506 HA THR 61 HA THR 61 -6.915 4.679 -2.854 507 HB THR 61 HB THR 61 -7.058 2.746 -0.953 508 HG1 THR 61 HG1 THR 61 -8.778 4.112 -1.545 509 1HG2 THR 61 1HG2 THR 61 -6.959 3.832 1.248 510 2HG2 THR 61 2HG2 THR 61 -5.381 3.520 0.521 511 3HG2 THR 61 3HG2 THR 61 -6.052 5.152 0.510 512 H PHE 62 H PHE 62 -4.153 4.078 -0.810 513 HA PHE 62 HA PHE 62 -3.536 6.524 0.247 514 1HB PHE 62 1HB PHE 62 -2.229 4.514 0.687 515 2HB PHE 62 2HB PHE 62 -1.692 4.465 -0.991 516 HD1 PHE 62 HD1 PHE 62 -1.858 7.602 0.907 517 HD2 PHE 62 HD2 PHE 62 0.633 4.407 -0.427 518 HE1 PHE 62 HE1 PHE 62 0.136 8.908 1.511 519 HE2 PHE 62 HE2 PHE 62 2.625 5.715 0.183 520 HZ PHE 62 HZ PHE 62 2.377 7.960 1.145 521 H LYS 63 H LYS 63 -2.521 5.246 -2.871 522 HA LYS 63 HA LYS 63 -1.185 7.444 -3.894 523 1HB LYS 63 1HB LYS 63 -2.015 4.916 -4.779 524 2HB LYS 63 2HB LYS 63 -2.691 6.038 -5.928 525 1HG LYS 63 1HG LYS 63 -0.440 6.991 -6.272 526 2HG LYS 63 2HG LYS 63 0.206 5.769 -5.175 527 1HD LYS 63 1HD LYS 63 -1.162 5.313 -7.821 528 2HD LYS 63 2HD LYS 63 0.530 5.010 -7.427 529 1HE LYS 63 1HE LYS 63 -0.408 3.391 -5.639 530 2HE LYS 63 2HE LYS 63 -1.912 3.500 -6.549 531 1HZ LYS 63 1HZ LYS 63 -1.058 1.853 -7.764 532 2HZ LYS 63 2HZ LYS 63 -0.089 3.034 -8.487 533 3HZ LYS 63 3HZ LYS 63 0.519 2.109 -7.212 534 H THR 64 H THR 64 -4.650 6.637 -4.070 535 HA THR 64 HA THR 64 -5.531 8.604 -5.789 536 HB THR 64 HB THR 64 -6.921 7.764 -3.235 537 HG1 THR 64 HG1 THR 64 -7.651 6.044 -4.318 538 1HG2 THR 64 1HG2 THR 64 -8.711 8.093 -5.389 539 2HG2 THR 64 2HG2 THR 64 -8.629 8.999 -3.878 540 3HG2 THR 64 3HG2 THR 64 -7.722 9.550 -5.287 541 H GLU 65 H GLU 65 -4.601 8.817 -2.431 542 HA GLU 65 HA GLU 65 -5.243 11.638 -2.241 543 1HB GLU 65 1HB GLU 65 -3.635 10.096 -0.222 544 2HB GLU 65 2HB GLU 65 -4.683 11.483 0.035 545 1HG GLU 65 1HG GLU 65 -5.963 9.020 -0.976 546 2HG GLU 65 2HG GLU 65 -5.365 8.992 0.682 547 H VAL 66 H VAL 66 -2.511 9.540 -2.789 548 HA VAL 66 HA VAL 66 -0.395 11.216 -2.265 549 HB VAL 66 HB VAL 66 -0.656 9.087 -4.362 550 1HG1 VAL 66 1HG1 VAL 66 1.256 11.064 -4.450 551 2HG1 VAL 66 2HG1 VAL 66 2.057 9.781 -3.550 552 3HG1 VAL 66 3HG1 VAL 66 1.404 9.455 -5.154 553 1HG2 VAL 66 1HG2 VAL 66 0.703 9.172 -1.671 554 2HG2 VAL 66 2HG2 VAL 66 -0.795 8.326 -2.056 555 3HG2 VAL 66 3HG2 VAL 66 0.723 7.802 -2.782 556 H TYR 67 H TYR 67 -2.324 10.948 -5.220 557 HA TYR 67 HA TYR 67 -0.851 12.797 -6.749 558 1HB TYR 67 1HB TYR 67 -3.504 11.502 -6.932 559 2HB TYR 67 2HB TYR 67 -3.343 13.028 -7.797 560 HD1 TYR 67 HD1 TYR 67 -2.329 9.529 -7.660 561 HD2 TYR 67 HD2 TYR 67 -1.755 13.243 -9.654 562 HE1 TYR 67 HE1 TYR 67 -1.214 8.357 -9.511 563 HE2 TYR 67 HE2 TYR 67 -0.640 12.081 -11.512 564 HH TYR 67 HH TYR 67 -0.744 9.610 -12.465 565 H ASN 68 H ASN 68 -3.297 13.169 -4.309 566 HA ASN 68 HA ASN 68 -3.656 15.996 -4.888 567 1HB ASN 68 1HB ASN 68 -4.990 14.011 -3.100 568 2HB ASN 68 2HB ASN 68 -5.108 15.719 -2.694 569 1HD2 ASN 68 1HD2 ASN 68 -7.780 14.364 -5.098 570 2HD2 ASN 68 2HD2 ASN 68 -6.994 13.577 -3.776 571 H LEU 69 H LEU 69 -1.725 13.997 -2.848 572 HA LEU 69 HA LEU 69 -1.371 15.718 -0.662 573 1HB LEU 69 1HB LEU 69 0.265 14.291 0.053 574 2HB LEU 69 2HB LEU 69 -0.582 13.247 -1.067 575 HG LEU 69 HG LEU 69 1.257 14.201 -2.753 576 1HD1 LEU 69 1HD1 LEU 69 2.182 15.644 -0.891 577 2HD1 LEU 69 2HD1 LEU 69 2.754 14.152 -0.145 578 3HD1 LEU 69 3HD1 LEU 69 3.347 14.626 -1.736 579 1HD2 LEU 69 1HD2 LEU 69 2.716 12.220 -1.591 580 2HD2 LEU 69 2HD2 LEU 69 1.101 11.874 -0.973 581 3HD2 LEU 69 3HD2 LEU 69 1.381 11.960 -2.711 582 H ARG 70 H ARG 70 0.256 15.573 -3.793 583 HA ARG 70 HA ARG 70 2.047 17.721 -3.074 584 1HB ARG 70 1HB ARG 70 1.650 16.481 -5.795 585 2HB ARG 70 2HB ARG 70 3.012 17.465 -5.273 586 1HG ARG 70 1HG ARG 70 2.787 15.259 -3.501 587 2HG ARG 70 2HG ARG 70 2.710 14.654 -5.156 588 1HD ARG 70 1HD ARG 70 4.835 16.503 -4.083 589 2HD ARG 70 2HD ARG 70 5.016 14.760 -4.275 590 HE ARG 70 HE ARG 70 4.404 15.409 -6.747 591 1HH1 ARG 70 1HH1 ARG 70 7.552 17.703 -5.803 592 2HH1 ARG 70 2HH1 ARG 70 6.551 17.066 -4.543 593 1HH2 ARG 70 1HH2 ARG 70 7.087 17.233 -7.990 594 2HH2 ARG 70 2HH2 ARG 70 5.731 16.240 -8.400 595 H MET 71 H MET 71 -1.060 17.661 -3.795 596 HA MET 71 HA MET 71 -0.990 20.220 -5.249 597 1HB MET 71 1HB MET 71 -3.141 18.097 -5.277 598 2HB MET 71 2HB MET 71 -3.250 19.652 -6.089 599 1HG MET 71 1HG MET 71 -1.087 17.650 -6.665 600 2HG MET 71 2HG MET 71 -2.622 17.693 -7.530 601 1HE MET 71 1HE MET 71 -2.145 17.911 -9.567 602 2HE MET 71 2HE MET 71 -1.974 19.479 -10.357 603 3HE MET 71 3HE MET 71 -0.557 18.460 -10.100 604 H ASN 72 H ASN 72 -1.724 18.773 -2.298 605 HA ASN 72 HA ASN 72 -3.735 20.795 -1.621 606 1HB ASN 72 1HB ASN 72 -2.952 18.167 -0.405 607 2HB ASN 72 2HB ASN 72 -3.803 19.368 0.561 608 1HD2 ASN 72 1HD2 ASN 72 -6.157 16.996 -1.141 609 2HD2 ASN 72 2HD2 ASN 72 -4.725 16.770 -0.204 610 H LEU 73 H LEU 73 -1.167 19.244 0.296 611 HA LEU 73 HA LEU 73 -0.632 21.795 1.588 612 1HB LEU 73 1HB LEU 73 -0.772 19.332 2.615 613 2HB LEU 73 2HB LEU 73 0.942 19.365 2.246 614 HG LEU 73 HG LEU 73 0.799 21.686 3.540 615 1HD1 LEU 73 1HD1 LEU 73 -1.722 21.255 3.810 616 2HD1 LEU 73 2HD1 LEU 73 -1.241 20.099 5.051 617 3HD1 LEU 73 3HD1 LEU 73 -0.808 21.801 5.214 618 1HD2 LEU 73 1HD2 LEU 73 2.133 19.577 4.037 619 2HD2 LEU 73 2HD2 LEU 73 1.717 20.603 5.411 620 3HD2 LEU 73 3HD2 LEU 73 0.806 19.123 5.107 621 H GLY 74 H GLY 74 0.127 21.608 -1.161 622 1HA GLY 74 1HA GLY 74 3.004 21.224 -1.197 623 2HA GLY 74 2HA GLY 74 1.990 21.661 -2.565 624 H GLY 75 H GLY 75 2.028 23.335 0.538 625 1HA GLY 75 1HA GLY 75 3.065 25.351 1.106 626 2HA GLY 75 2HA GLY 75 3.659 25.485 -0.543 627 H THR 76 H THR 76 1.467 26.665 1.680 628 HA THR 76 HA THR 76 -0.707 27.355 -0.003 629 HB THR 76 HB THR 76 -1.111 29.117 1.833 630 HG1 THR 76 HG1 THR 76 1.338 28.535 2.459 631 1HG2 THR 76 1HG2 THR 76 -1.437 27.225 3.614 632 2HG2 THR 76 2HG2 THR 76 -2.452 27.310 2.174 633 3HG2 THR 76 3HG2 THR 76 -1.102 26.177 2.236 634 H GLY 77 H GLY 77 -1.252 29.435 -0.858 635 1HA GLY 77 1HA GLY 77 1.039 31.256 -1.212 636 2HA GLY 77 2HA GLY 77 0.136 30.696 -2.610 637 H PHE 78 H PHE 78 -0.794 31.921 0.608 638 HA PHE 78 HA PHE 78 -2.861 33.542 -0.634 639 1HB PHE 78 1HB PHE 78 -2.431 32.359 1.960 640 2HB PHE 78 2HB PHE 78 -2.786 34.074 2.130 641 HD1 PHE 78 HD1 PHE 78 -4.819 34.912 0.668 642 HD2 PHE 78 HD2 PHE 78 -4.187 30.883 1.879 643 HE1 PHE 78 HE1 PHE 78 -7.216 34.448 0.360 644 HE2 PHE 78 HE2 PHE 78 -6.581 30.410 1.574 645 HZ PHE 78 HZ PHE 78 -8.100 32.194 0.813 646 H GLN 79 H GLN 79 -2.327 35.471 -1.406 647 HA GLN 79 HA GLN 79 -0.118 36.956 -0.206 648 1HB GLN 79 1HB GLN 79 -1.162 36.675 -2.852 649 2HB GLN 79 2HB GLN 79 -1.259 38.371 -2.395 650 1HG GLN 79 1HG GLN 79 1.230 36.687 -2.229 651 2HG GLN 79 2HG GLN 79 0.835 37.786 -3.550 652 1HE2 GLN 79 1HE2 GLN 79 2.656 40.229 -1.908 653 2HE2 GLN 79 2HE2 GLN 79 2.436 39.244 -3.310
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