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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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3955 |
1egr ![]() ![]() |
2151 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name Start of MODEL 1 Raw file had 870 H/Q atoms Start of MODEL 1 1 H MET 1 HN MET 1 -6.812 -4.538 7.096 2 HA MET 1 HA MET 1 -6.123 -2.962 9.332 3 1HB MET 1 2HB MET 1 -3.857 -3.800 8.906 4 2HB MET 1 3HB MET 1 -5.019 -5.093 8.737 5 1HG MET 1 2HG MET 1 -3.917 -3.485 6.418 6 2HG MET 1 3HG MET 1 -3.285 -5.025 6.923 7 1HE MET 1 2HE MET 1 -5.163 -7.043 7.353 8 2HE MET 1 3HE MET 1 -5.649 -7.637 5.768 9 3HE MET 1 1HE MET 1 -3.968 -7.208 6.062 10 QB MET 1 QB MET 1 -4.438 -4.446 8.821 11 QG MET 1 QG MET 1 -3.601 -4.255 6.670 12 QE MET 1 QE MET 1 -4.927 -7.296 6.394 13 H GLN 2 HN GLN 2 -3.612 -1.818 8.719 14 HA GLN 2 HA GLN 2 -4.460 0.467 7.074 15 1HB GLN 2 2HB GLN 2 -2.483 0.151 9.336 16 2HB GLN 2 3HB GLN 2 -2.601 1.601 8.377 17 1HG GLN 2 2HG GLN 2 -4.670 2.201 9.242 18 2HG GLN 2 3HG GLN 2 -5.148 0.533 9.540 19 1HE2 GLN 2 2HE2 GLN 2 -2.971 0.455 12.537 20 2HE2 GLN 2 1HE2 GLN 2 -3.031 -0.430 11.088 21 QB GLN 2 QB GLN 2 -2.542 0.876 8.856 22 QG GLN 2 QG GLN 2 -4.909 1.367 9.391 23 QE2 GLN 2 QE2 GLN 2 -3.001 0.013 11.812 24 H THR 3 HN THR 3 -3.772 0.076 5.084 25 HA THR 3 HA THR 3 -1.020 -0.938 4.595 26 HB THR 3 HB THR 3 -3.276 -0.249 2.638 27 HG1 THR 3 1HG THR 3 -3.976 -2.013 3.597 28 1HG2 THR 3 2HG2 THR 3 -0.757 -1.955 2.331 29 2HG2 THR 3 3HG2 THR 3 -1.979 -1.693 1.092 30 3HG2 THR 3 1HG2 THR 3 -0.955 -0.359 1.613 31 QG2 THR 3 QG2 THR 3 -1.230 -1.336 1.679 32 H VAL 4 HN VAL 4 0.589 0.448 4.064 33 HA VAL 4 HA VAL 4 -0.210 3.279 3.450 34 HB VAL 4 HB VAL 4 2.266 2.342 4.937 35 1HG1 VAL 4 3HG1 VAL 4 1.134 5.117 4.446 36 2HG1 VAL 4 1HG1 VAL 4 2.546 4.757 5.430 37 3HG1 VAL 4 2HG1 VAL 4 2.586 4.455 3.698 38 1HG2 VAL 4 3HG2 VAL 4 0.195 2.014 6.271 39 2HG2 VAL 4 1HG2 VAL 4 1.197 3.293 6.944 40 3HG2 VAL 4 2HG2 VAL 4 -0.234 3.698 6.003 41 QG1 VAL 4 QG1 VAL 4 2.089 4.776 4.525 42 QG2 VAL 4 QG2 VAL 4 0.386 3.002 6.406 43 QQG VAL 4 QQG VAL 4 1.237 3.889 5.465 44 H ILE 5 HN ILE 5 0.587 4.148 1.690 45 HA ILE 5 HA ILE 5 2.636 2.647 0.111 46 HB ILE 5 HB ILE 5 0.613 4.788 -0.730 47 1HG1 ILE 5 2HG1 ILE 5 -0.343 3.146 -2.222 48 2HG1 ILE 5 3HG1 ILE 5 0.865 1.963 -1.777 49 1HG2 ILE 5 3HG2 ILE 5 2.785 3.400 -2.353 50 2HG2 ILE 5 1HG2 ILE 5 1.520 4.418 -3.039 51 3HG2 ILE 5 2HG2 ILE 5 2.714 5.113 -1.949 52 1HD1 ILE 5 2HD1 ILE 5 -1.169 3.138 0.145 53 2HD1 ILE 5 3HD1 ILE 5 -1.324 1.569 -0.637 54 3HD1 ILE 5 1HD1 ILE 5 -0.030 1.848 0.510 55 QG1 ILE 5 QG1 ILE 5 0.261 2.555 -2.000 56 QG2 ILE 5 QG2 ILE 5 2.340 4.310 -2.447 57 QD1 ILE 5 QD1 ILE 5 -0.841 2.185 0.006 58 H PHE 6 HN PHE 6 4.624 3.556 0.239 59 HA PHE 6 HA PHE 6 4.850 6.485 0.847 60 1HB PHE 6 2HB PHE 6 6.292 4.088 1.879 61 2HB PHE 6 3HB PHE 6 7.350 5.388 1.348 62 HD1 PHE 6 HD1 PHE 6 6.312 7.842 2.103 63 HD2 PHE 6 HD2 PHE 6 5.798 4.155 4.180 64 HE1 PHE 6 HE1 PHE 6 5.958 9.071 4.196 65 HE2 PHE 6 HE2 PHE 6 5.463 5.391 6.279 66 HZ PHE 6 HZ PHE 6 5.522 7.849 6.286 67 QB PHE 6 QB PHE 6 6.821 4.738 1.613 68 QR PHE 6 QR PHE 6 5.883 6.615 4.189 69 H GLY 7 HN GLY 7 4.735 7.044 -1.336 70 1HA GLY 7 1HA GLY 7 6.936 5.909 -3.019 71 2HA GLY 7 2HA GLY 7 5.324 6.111 -3.667 72 QA GLY 7 QA GLY 7 6.130 6.010 -3.343 73 NH1 ARG 8 NH2 ARG 8 8.480 12.964 -3.771 74 NH2 ARG 8 NH1 ARG 8 6.879 13.149 -5.368 75 H ARG 8 HN ARG 8 6.577 7.217 -5.293 76 HA ARG 8 HA ARG 8 7.256 10.030 -4.534 77 1HB ARG 8 2HB ARG 8 8.898 8.198 -5.723 78 2HB ARG 8 3HB ARG 8 8.184 8.922 -7.155 79 1HG ARG 8 2HG ARG 8 9.417 10.556 -4.909 80 2HG ARG 8 3HG ARG 8 10.330 10.019 -6.310 81 1HD ARG 8 2HD ARG 8 9.387 11.583 -7.678 82 2HD ARG 8 3HD ARG 8 7.779 11.352 -6.999 83 HE ARG 8 HE ARG 8 9.737 13.347 -6.111 84 1HH1 ARG 8 2HH2 ARG 8 9.429 12.754 -3.540 85 2HH1 ARG 8 1HH2 ARG 8 7.806 13.134 -3.047 86 1HH2 ARG 8 2HH1 ARG 8 6.636 13.131 -6.342 87 2HH2 ARG 8 1HH1 ARG 8 6.145 13.269 -4.687 88 QB ARG 8 QB ARG 8 8.541 8.560 -6.439 89 QG ARG 8 QG ARG 8 9.873 10.288 -5.610 90 QD ARG 8 QD ARG 8 8.583 11.468 -7.339 91 QH1 ARG 8 QH2 ARG 8 8.617 12.944 -3.294 92 QH2 ARG 8 QH1 ARG 8 6.390 13.200 -5.515 93 H SER 9 HN SER 9 5.230 10.956 -4.781 94 HA SER 9 HA SER 9 3.380 10.539 -6.855 95 1HB SER 9 2HB SER 9 2.846 13.096 -6.407 96 2HB SER 9 3HB SER 9 2.628 11.951 -5.073 97 HG SER 9 HG SER 9 4.196 12.924 -4.060 98 QB SER 9 QB SER 9 2.737 12.524 -5.740 99 H GLY 10 HN GLY 10 3.172 11.410 -8.926 100 1HA GLY 10 1HA GLY 10 3.941 13.066 -10.638 101 2HA GLY 10 2HA GLY 10 5.564 12.911 -9.952 102 QA GLY 10 QA GLY 10 4.752 12.989 -10.295 103 H CYS 11 HN CYS 11 5.430 10.105 -9.496 104 HA CYS 11 HA CYS 11 5.812 9.165 -12.293 105 1HB CYS 11 2HB CYS 11 6.527 7.856 -9.658 106 2HB CYS 11 3HB CYS 11 6.982 7.272 -11.237 107 HG CYS 11 HG CYS 11 8.836 8.952 -11.370 108 QB CYS 11 QB CYS 11 6.754 7.564 -10.448 109 HA PRO 12 HA PRO 12 1.993 6.734 -11.823 110 1HB PRO 12 2HB PRO 12 2.901 5.366 -14.283 111 2HB PRO 12 3HB PRO 12 1.424 6.293 -14.004 112 1HG PRO 12 2HG PRO 12 3.485 7.229 -15.560 113 2HG PRO 12 3HG PRO 12 2.414 8.307 -14.655 114 1HD PRO 12 2HD PRO 12 5.230 7.463 -14.010 115 2HD PRO 12 3HD PRO 12 4.413 9.013 -13.699 116 QB PRO 12 QB PRO 12 2.162 5.830 -14.144 117 QG PRO 12 QG PRO 12 2.949 7.768 -15.108 118 QD PRO 12 QD PRO 12 4.821 8.238 -13.855 119 OH TYR 13 OH TYR 13 9.155 -0.292 -10.996 120 H TYR 13 HN TYR 13 3.982 5.999 -10.183 121 HA TYR 13 HA TYR 13 4.402 3.076 -10.699 122 1HB TYR 13 2HB TYR 13 6.283 5.034 -10.076 123 2HB TYR 13 3HB TYR 13 5.954 4.320 -8.506 124 HD1 TYR 13 HD1 TYR 13 5.816 1.598 -8.584 125 HD2 TYR 13 HD2 TYR 13 7.930 4.030 -11.368 126 HE1 TYR 13 HE1 TYR 13 7.226 -0.313 -9.192 127 HE2 TYR 13 HE2 TYR 13 9.336 2.117 -11.967 128 HH TYR 13 HH TYR 13 8.639 -1.095 -10.882 129 QB TYR 13 QB TYR 13 6.118 4.677 -9.291 130 QR TYR 13 QR TYR 13 7.577 1.858 -10.278 131 H CYS 14 HN CYS 14 4.160 5.303 -7.958 132 HA CYS 14 HA CYS 14 3.186 3.458 -6.032 133 1HB CYS 14 2HB CYS 14 2.183 6.274 -6.013 134 2HB CYS 14 3HB CYS 14 2.796 5.306 -4.695 135 HG CYS 14 HG CYS 14 5.205 5.904 -5.408 136 QB CYS 14 QB CYS 14 2.489 5.790 -5.354 137 H VAL 15 HN VAL 15 1.650 5.250 -8.546 138 HA VAL 15 HA VAL 15 -1.034 5.240 -7.973 139 HB VAL 15 HB VAL 15 0.258 4.423 -10.616 140 1HG1 VAL 15 2HG1 VAL 15 -2.187 3.893 -10.521 141 2HG1 VAL 15 3HG1 VAL 15 -2.512 5.559 -10.060 142 3HG1 VAL 15 1HG1 VAL 15 -1.844 5.201 -11.647 143 1HG2 VAL 15 3HG2 VAL 15 -0.645 7.117 -9.530 144 2HG2 VAL 15 1HG2 VAL 15 1.024 6.612 -9.764 145 3HG2 VAL 15 2HG2 VAL 15 -0.029 6.837 -11.156 146 QG1 VAL 15 QG1 VAL 15 -2.181 4.884 -10.743 147 QG2 VAL 15 QG2 VAL 15 0.117 6.855 -10.150 148 QQG VAL 15 QQG VAL 15 -1.032 5.870 -10.446 149 NH1 ARG 16 NH1 ARG 16 -2.826 -0.870 -10.254 150 NH2 ARG 16 NH2 ARG 16 -3.729 0.615 -11.706 151 H ARG 16 HN ARG 16 0.869 2.438 -9.067 152 HA ARG 16 HA ARG 16 -1.379 0.656 -9.229 153 1HB ARG 16 2HB ARG 16 1.555 0.069 -8.742 154 2HB ARG 16 3HB ARG 16 0.360 -1.146 -9.123 155 1HG ARG 16 2HG ARG 16 0.950 1.207 -10.942 156 2HG ARG 16 3HG ARG 16 1.747 -0.349 -11.091 157 1HD ARG 16 2HD ARG 16 -0.056 -0.448 -12.644 158 2HD ARG 16 3HD ARG 16 -0.609 -1.387 -11.262 159 HE ARG 16 HE ARG 16 -1.376 1.492 -11.600 160 1HH1 ARG 16 2HH1 ARG 16 -2.022 -1.330 -9.875 161 2HH1 ARG 16 1HH1 ARG 16 -3.748 -1.126 -9.930 162 1HH2 ARG 16 2HH2 ARG 16 -3.611 1.320 -12.399 163 2HH2 ARG 16 1HH2 ARG 16 -4.656 0.326 -11.429 164 QB ARG 16 QB ARG 16 0.957 -0.538 -8.933 165 QG ARG 16 QG ARG 16 1.348 0.429 -11.017 166 QD ARG 16 QD ARG 16 -0.333 -0.917 -11.953 167 QH1 ARG 16 QH1 ARG 16 -2.885 -1.228 -9.903 168 QH2 ARG 16 QH2 ARG 16 -4.134 0.823 -11.914 169 H ALA 17 HN ALA 17 1.024 1.090 -6.670 170 HA ALA 17 HA ALA 17 -0.137 -0.773 -4.850 171 1HB ALA 17 3HB ALA 17 2.123 0.179 -4.537 172 2HB ALA 17 1HB ALA 17 1.415 1.762 -4.226 173 3HB ALA 17 2HB ALA 17 1.129 0.428 -3.109 174 QB ALA 17 QB ALA 17 1.556 0.790 -3.957 175 H LYS 18 HN LYS 18 -0.659 2.717 -5.228 176 HA LYS 18 HA LYS 18 -2.508 2.990 -3.049 177 1HB LYS 18 2HB LYS 18 -1.476 4.920 -4.378 178 2HB LYS 18 3HB LYS 18 -2.653 4.576 -5.637 179 1HG LYS 18 2HG LYS 18 -4.313 4.633 -3.470 180 2HG LYS 18 3HG LYS 18 -3.056 5.723 -2.905 181 1HD LYS 18 2HD LYS 18 -4.615 7.144 -4.002 182 2HD LYS 18 3HD LYS 18 -3.311 6.945 -5.165 183 1HE LYS 18 2HE LYS 18 -5.393 6.625 -6.363 184 2HE LYS 18 3HE LYS 18 -4.646 5.042 -6.203 185 1HZ LYS 18 3HZ LYS 18 -6.308 5.575 -3.945 186 2HZ LYS 18 1HZ LYS 18 -7.194 5.791 -5.372 187 3HZ LYS 18 2HZ LYS 18 -6.419 4.317 -5.095 188 QB LYS 18 QB LYS 18 -2.065 4.748 -5.008 189 QG LYS 18 QG LYS 18 -3.685 5.178 -3.188 190 QD LYS 18 QD LYS 18 -3.963 7.045 -4.584 191 QE LYS 18 QE LYS 18 -5.020 5.834 -6.283 192 QZ LYS 18 QZ LYS 18 -6.640 5.228 -4.804 193 H ASP 19 HN ASP 19 -3.071 2.533 -6.534 194 HA ASP 19 HA ASP 19 -5.881 2.308 -6.451 195 1HB ASP 19 2HB ASP 19 -4.718 2.422 -8.581 196 2HB ASP 19 3HB ASP 19 -3.784 0.983 -8.222 197 QB ASP 19 QB ASP 19 -4.251 1.703 -8.402 198 H LEU 20 HN LEU 20 -3.474 -0.312 -6.286 199 HA LEU 20 HA LEU 20 -5.303 -2.416 -5.828 200 1HB LEU 20 2HB LEU 20 -2.953 -2.885 -6.283 201 2HB LEU 20 3HB LEU 20 -2.453 -2.064 -4.815 202 HG LEU 20 HG LEU 20 -3.387 -3.785 -3.412 203 1HD1 LEU 20 1HD1 LEU 20 -4.597 -4.959 -5.951 204 2HD1 LEU 20 2HD1 LEU 20 -4.647 -5.711 -4.364 205 3HD1 LEU 20 3HD1 LEU 20 -5.497 -4.202 -4.643 206 1HD2 LEU 20 3HD2 LEU 20 -2.038 -5.020 -5.840 207 2HD2 LEU 20 1HD2 LEU 20 -1.226 -4.354 -4.426 208 3HD2 LEU 20 2HD2 LEU 20 -2.202 -5.814 -4.280 209 QB LEU 20 QB LEU 20 -2.703 -2.474 -5.549 210 QD1 LEU 20 QD1 LEU 20 -4.914 -4.957 -4.986 211 QD2 LEU 20 QD2 LEU 20 -1.822 -5.063 -4.849 212 QQD LEU 20 QQD LEU 20 -3.368 -5.010 -4.917 213 H ALA 21 HN ALA 21 -3.339 -0.783 -3.334 214 HA ALA 21 HA ALA 21 -4.606 -1.843 -1.082 215 1HB ALA 21 2HB ALA 21 -2.592 -0.401 -1.018 216 2HB ALA 21 3HB ALA 21 -3.575 0.992 -1.449 217 3HB ALA 21 1HB ALA 21 -3.821 0.180 0.093 218 QB ALA 21 QB ALA 21 -3.329 0.257 -0.791 219 H GLU 22 HN GLU 22 -5.518 1.003 -2.938 220 HA GLU 22 HA GLU 22 -7.725 1.862 -1.386 221 1HB GLU 22 2HB GLU 22 -6.701 3.170 -3.240 222 2HB GLU 22 3HB GLU 22 -7.303 1.991 -4.382 223 1HG GLU 22 2HG GLU 22 -9.634 2.484 -3.711 224 2HG GLU 22 3HG GLU 22 -9.045 3.685 -2.570 225 QB GLU 22 QB GLU 22 -7.002 2.581 -3.811 226 QG GLU 22 QG GLU 22 -9.340 3.085 -3.141 227 H LYS 23 HN LYS 23 -7.640 -0.120 -4.245 228 HA LYS 23 HA LYS 23 -10.410 -0.642 -4.428 229 1HB LYS 23 2HB LYS 23 -8.152 -1.259 -5.921 230 2HB LYS 23 3HB LYS 23 -8.557 -2.817 -5.251 231 1HG LYS 23 2HG LYS 23 -9.634 -2.414 -7.459 232 2HG LYS 23 3HG LYS 23 -10.787 -2.729 -6.182 233 1HD LYS 23 2HD LYS 23 -11.552 -0.909 -7.646 234 2HD LYS 23 3HD LYS 23 -11.328 -0.326 -6.022 235 1HE LYS 23 2HE LYS 23 -9.308 0.014 -8.271 236 2HE LYS 23 3HE LYS 23 -10.470 1.239 -7.788 237 1HZ LYS 23 3HZ LYS 23 -9.025 0.354 -5.525 238 2HZ LYS 23 1HZ LYS 23 -7.940 0.794 -6.768 239 3HZ LYS 23 2HZ LYS 23 -9.091 1.923 -6.197 240 QB LYS 23 QB LYS 23 -8.355 -2.038 -5.586 241 QG LYS 23 QG LYS 23 -10.211 -2.571 -6.821 242 QD LYS 23 QD LYS 23 -11.440 -0.617 -6.834 243 QE LYS 23 QE LYS 23 -9.889 0.627 -8.030 244 QZ LYS 23 QZ LYS 23 -8.685 1.024 -6.163 245 H LEU 24 HN LEU 24 -7.791 -2.457 -2.908 246 HA LEU 24 HA LEU 24 -9.383 -4.486 -1.747 247 1HB LEU 24 2HB LEU 24 -6.949 -3.086 -0.566 248 2HB LEU 24 3HB LEU 24 -7.598 -4.617 0.003 249 HG LEU 24 HG LEU 24 -6.683 -4.153 -2.856 250 1HD1 LEU 24 1HD1 LEU 24 -5.209 -5.420 -0.521 251 2HD1 LEU 24 2HD1 LEU 24 -4.651 -5.419 -2.187 252 3HD1 LEU 24 3HD1 LEU 24 -4.783 -3.907 -1.303 253 1HD2 LEU 24 1HD2 LEU 24 -7.286 -6.685 -1.280 254 2HD2 LEU 24 2HD2 LEU 24 -8.286 -6.012 -2.565 255 3HD2 LEU 24 3HD2 LEU 24 -6.686 -6.635 -2.933 256 QB LEU 24 QB LEU 24 -7.274 -3.851 -0.282 257 QD1 LEU 24 QD1 LEU 24 -4.881 -4.915 -1.337 258 QD2 LEU 24 QD2 LEU 24 -7.419 -6.444 -2.259 259 QQD LEU 24 QQD LEU 24 -6.150 -5.680 -1.798 260 H SER 25 HN SER 25 -8.426 -1.368 -0.425 261 HA SER 25 HA SER 25 -9.767 -1.191 1.941 262 1HB SER 25 2HB SER 25 -8.394 0.633 0.748 263 2HB SER 25 3HB SER 25 -9.918 1.098 -0.025 264 HG SER 25 HG SER 25 -10.377 0.637 2.574 265 QB SER 25 QB SER 25 -9.156 0.866 0.361 266 H ASN 26 HN ASN 26 -11.237 -1.315 -1.145 267 HA ASN 26 HA ASN 26 -13.923 -0.696 -0.005 268 1HB ASN 26 2HB ASN 26 -13.143 0.637 -1.982 269 2HB ASN 26 3HB ASN 26 -13.044 -0.850 -2.914 270 1HD2 ASN 26 2HD2 ASN 26 -16.896 -0.647 -1.924 271 2HD2 ASN 26 1HD2 ASN 26 -15.704 -1.201 -0.858 272 QB ASN 26 QB ASN 26 -13.094 -0.106 -2.448 273 QD2 ASN 26 QD2 ASN 26 -16.300 -0.924 -1.391 274 H GLU 27 HN GLU 27 -12.076 -3.157 -1.707 275 HA GLU 27 HA GLU 27 -14.291 -4.937 -2.219 276 1HB GLU 27 2HB GLU 27 -11.316 -5.535 -1.878 277 2HB GLU 27 3HB GLU 27 -12.494 -6.680 -2.497 278 1HG GLU 27 2HG GLU 27 -12.820 -5.461 -4.494 279 2HG GLU 27 3HG GLU 27 -12.168 -3.976 -3.813 280 QB GLU 27 QB GLU 27 -11.905 -6.107 -2.188 281 QG GLU 27 QG GLU 27 -12.494 -4.718 -4.154 282 NH1 ARG 28 NH1 ARG 28 -10.400 -8.882 5.109 283 NH2 ARG 28 NH2 ARG 28 -10.500 -10.952 4.132 284 H ARG 28 HN ARG 28 -12.032 -4.468 0.432 285 HA ARG 28 HA ARG 28 -13.614 -6.407 2.071 286 1HB ARG 28 2HB ARG 28 -10.683 -5.668 2.360 287 2HB ARG 28 3HB ARG 28 -11.562 -6.829 3.345 288 1HG ARG 28 2HG ARG 28 -12.161 -7.802 0.879 289 2HG ARG 28 3HG ARG 28 -10.603 -7.074 0.528 290 1HD ARG 28 2HD ARG 28 -10.411 -9.470 1.237 291 2HD ARG 28 3HD ARG 28 -9.545 -8.365 2.311 292 HE ARG 28 HE ARG 28 -12.322 -9.072 3.098 293 1HH1 ARG 28 2HH1 ARG 28 -10.622 -7.900 5.056 294 2HH1 ARG 28 1HH1 ARG 28 -9.916 -9.224 5.913 295 1HH2 ARG 28 2HH2 ARG 28 -10.776 -11.513 3.326 296 2HH2 ARG 28 1HH2 ARG 28 -10.045 -11.396 4.898 297 QB ARG 28 QB ARG 28 -11.123 -6.248 2.852 298 QG ARG 28 QG ARG 28 -11.382 -7.438 0.703 299 QD ARG 28 QD ARG 28 -9.978 -8.917 1.774 300 QH1 ARG 28 QH1 ARG 28 -10.269 -8.562 5.484 301 QH2 ARG 28 QH2 ARG 28 -10.411 -11.454 4.112 302 H ASP 29 HN ASP 29 -14.786 -5.444 3.531 303 HA ASP 29 HA ASP 29 -14.689 -2.644 4.105 304 1HB ASP 29 2HB ASP 29 -16.439 -3.220 5.794 305 2HB ASP 29 3HB ASP 29 -16.766 -3.937 4.222 306 QB ASP 29 QB ASP 29 -16.603 -3.578 5.008 307 H ASP 30 HN ASP 30 -12.476 -4.791 5.141 308 HA ASP 30 HA ASP 30 -12.131 -3.467 7.812 309 1HB ASP 30 2HB ASP 30 -10.957 -5.453 8.538 310 2HB ASP 30 3HB ASP 30 -12.405 -6.036 7.725 311 QB ASP 30 QB ASP 30 -11.681 -5.744 8.131 312 H PHE 31 HN PHE 31 -11.191 -3.137 4.765 313 HA PHE 31 HA PHE 31 -8.286 -2.854 5.366 314 1HB PHE 31 2HB PHE 31 -9.224 -4.383 3.549 315 2HB PHE 31 3HB PHE 31 -9.635 -2.931 2.665 316 HD1 PHE 31 HD1 PHE 31 -7.669 -1.241 2.232 317 HD2 PHE 31 HD2 PHE 31 -7.061 -5.291 3.413 318 HE1 PHE 31 HE1 PHE 31 -5.422 -1.186 1.274 319 HE2 PHE 31 HE2 PHE 31 -4.805 -5.222 2.466 320 HZ PHE 31 HZ PHE 31 -3.970 -3.165 1.417 321 QB PHE 31 QB PHE 31 -9.430 -3.657 3.107 322 QR PHE 31 QR PHE 31 -6.239 -3.235 2.346 323 H GLN 32 HN GLN 32 -7.383 -0.901 5.480 324 HA GLN 32 HA GLN 32 -8.709 1.432 4.133 325 1HB GLN 32 2HB GLN 32 -7.218 1.486 6.795 326 2HB GLN 32 3HB GLN 32 -8.063 2.831 6.040 327 1HG GLN 32 2HG GLN 32 -10.210 1.826 6.431 328 2HG GLN 32 3HG GLN 32 -9.487 0.278 6.858 329 1HE2 GLN 32 2HE2 GLN 32 -9.972 3.035 9.732 330 2HE2 GLN 32 1HE2 GLN 32 -10.656 3.189 8.187 331 QB GLN 32 QB GLN 32 -7.641 2.159 6.417 332 QG GLN 32 QG GLN 32 -9.849 1.052 6.644 333 QE2 GLN 32 QE2 GLN 32 -10.314 3.112 8.959 334 OH TYR 33 OH TYR 33 -6.771 6.098 -2.284 335 H TYR 33 HN TYR 33 -7.101 2.990 3.300 336 HA TYR 33 HA TYR 33 -4.295 2.005 3.505 337 1HB TYR 33 2HB TYR 33 -3.927 1.988 1.202 338 2HB TYR 33 3HB TYR 33 -5.551 1.332 1.321 339 HD1 TYR 33 HD1 TYR 33 -7.520 2.771 0.728 340 HD2 TYR 33 HD2 TYR 33 -3.535 4.179 0.234 341 HE1 TYR 33 HE1 TYR 33 -8.308 4.447 -0.878 342 HE2 TYR 33 HE2 TYR 33 -4.325 5.864 -1.351 343 HH TYR 33 HH TYR 33 -7.730 5.970 -2.407 344 QB TYR 33 QB TYR 33 -4.739 1.660 1.261 345 QR TYR 33 QR TYR 33 -5.922 4.315 -0.317 346 H GLN 34 HN GLN 34 -2.690 3.590 2.997 347 HA GLN 34 HA GLN 34 -3.636 6.429 3.148 348 1HB GLN 34 2HB GLN 34 -1.401 5.098 4.728 349 2HB GLN 34 3HB GLN 34 -1.665 6.837 4.680 350 1HG GLN 34 2HG GLN 34 -3.816 6.626 5.740 351 2HG GLN 34 3HG GLN 34 -3.816 4.888 5.512 352 1HE2 GLN 34 2HE2 GLN 34 -1.883 6.462 8.693 353 2HE2 GLN 34 1HE2 GLN 34 -2.624 7.464 7.543 354 QB GLN 34 QB GLN 34 -1.533 5.968 4.704 355 QG GLN 34 QG GLN 34 -3.816 5.757 5.626 356 QE2 GLN 34 QE2 GLN 34 -2.254 6.963 8.118 357 OH TYR 35 OH TYR 35 2.792 9.891 -4.086 358 H TYR 35 HN TYR 35 -2.573 7.818 1.807 359 HA TYR 35 HA TYR 35 -0.229 6.714 0.301 360 1HB TYR 35 2HB TYR 35 -2.063 7.330 -1.240 361 2HB TYR 35 3HB TYR 35 -2.159 8.933 -0.509 362 HD1 TYR 35 HD1 TYR 35 -0.250 10.555 -0.797 363 HD2 TYR 35 HD2 TYR 35 -0.241 6.789 -2.794 364 HE1 TYR 35 HE1 TYR 35 1.617 11.298 -2.190 365 HE2 TYR 35 HE2 TYR 35 1.641 7.542 -4.175 366 HH TYR 35 HH TYR 35 3.457 10.352 -3.542 367 QB TYR 35 QB TYR 35 -2.111 8.132 -0.875 368 QR TYR 35 QR TYR 35 0.692 9.046 -2.489 369 H VAL 36 HN VAL 36 1.547 7.408 1.252 370 HA VAL 36 HA VAL 36 1.605 10.229 2.239 371 HB VAL 36 HB VAL 36 3.474 8.085 3.261 372 1HG1 VAL 36 2HG1 VAL 36 3.812 10.475 3.870 373 2HG1 VAL 36 3HG1 VAL 36 2.177 10.531 4.526 374 3HG1 VAL 36 1HG1 VAL 36 3.394 9.506 5.284 375 1HG2 VAL 36 3HG2 VAL 36 0.651 8.585 4.287 376 2HG2 VAL 36 1HG2 VAL 36 1.204 7.111 3.502 377 3HG2 VAL 36 2HG2 VAL 36 1.852 7.565 5.074 378 QG1 VAL 36 QG1 VAL 36 3.128 10.171 4.560 379 QG2 VAL 36 QG2 VAL 36 1.236 7.754 4.288 380 QQG VAL 36 QQG VAL 36 2.182 8.962 4.424 381 H ASP 37 HN ASP 37 3.348 11.427 1.556 382 HA ASP 37 HA ASP 37 4.961 10.130 -0.609 383 1HB ASP 37 2HB ASP 37 3.361 12.112 -1.102 384 2HB ASP 37 3HB ASP 37 4.563 13.083 -0.263 385 QB ASP 37 QB ASP 37 3.962 12.598 -0.683 386 H ILE 38 HN ILE 38 7.122 10.689 -0.821 387 HA ILE 38 HA ILE 38 8.357 11.175 1.779 388 HB ILE 38 HB ILE 38 10.472 10.591 0.624 389 1HG1 ILE 38 2HG1 ILE 38 8.760 10.604 -1.897 390 2HG1 ILE 38 3HG1 ILE 38 10.013 11.776 -1.513 391 1HG2 ILE 38 1HG2 ILE 38 8.870 8.799 1.341 392 2HG2 ILE 38 2HG2 ILE 38 8.154 8.825 -0.268 393 3HG2 ILE 38 3HG2 ILE 38 9.825 8.314 -0.051 394 1HD1 ILE 38 2HD1 ILE 38 11.696 9.934 -1.467 395 2HD1 ILE 38 3HD1 ILE 38 10.436 8.794 -1.934 396 3HD1 ILE 38 1HD1 ILE 38 10.911 10.077 -3.036 397 QG1 ILE 38 QG1 ILE 38 9.386 11.190 -1.705 398 QG2 ILE 38 QG2 ILE 38 8.950 8.646 0.341 399 QD1 ILE 38 QD1 ILE 38 11.014 9.602 -2.146 400 NH1 ARG 39 NH1 ARG 39 8.137 19.188 0.209 401 NH2 ARG 39 NH2 ARG 39 8.136 20.257 -1.806 402 H ARG 39 HN ARG 39 7.972 13.048 -1.157 403 HA ARG 39 HA ARG 39 9.772 15.091 0.090 404 1HB ARG 39 2HB ARG 39 10.085 14.440 -2.395 405 2HB ARG 39 3HB ARG 39 8.597 15.327 -2.693 406 1HG ARG 39 2HG ARG 39 10.524 16.795 -0.994 407 2HG ARG 39 3HG ARG 39 11.148 16.434 -2.591 408 1HD ARG 39 2HD ARG 39 10.059 18.600 -2.669 409 2HD ARG 39 3HD ARG 39 9.072 17.467 -3.582 410 HE ARG 39 HE ARG 39 7.523 17.385 -1.622 411 1HH1 ARG 39 2HH1 ARG 39 8.148 18.314 0.712 412 2HH1 ARG 39 1HH1 ARG 39 8.085 20.048 0.713 413 1HH2 ARG 39 2HH2 ARG 39 8.166 20.187 -2.801 414 2HH2 ARG 39 1HH2 ARG 39 8.071 21.156 -1.374 415 QB ARG 39 QB ARG 39 9.341 14.884 -2.544 416 QG ARG 39 QG ARG 39 10.836 16.615 -1.793 417 QD ARG 39 QD ARG 39 9.565 18.034 -3.126 418 QH1 ARG 39 QH1 ARG 39 8.116 19.181 0.712 419 QH2 ARG 39 QH2 ARG 39 8.118 20.672 -2.088 420 H ALA 40 HN ALA 40 6.689 14.864 -1.645 421 HA ALA 40 HA ALA 40 5.612 17.372 -1.226 422 1HB ALA 40 1HB ALA 40 4.408 15.582 -2.429 423 2HB ALA 40 2HB ALA 40 4.098 14.768 -0.905 424 3HB ALA 40 3HB ALA 40 3.383 16.338 -1.213 425 QB ALA 40 QB ALA 40 3.963 15.563 -1.516 426 H GLU 41 HN GLU 41 5.811 14.762 1.207 427 HA GLU 41 HA GLU 41 4.622 16.724 3.129 428 1HB GLU 41 2HB GLU 41 4.876 13.720 3.148 429 2HB GLU 41 3HB GLU 41 4.572 14.610 4.640 430 1HG GLU 41 2HG GLU 41 2.541 15.577 3.756 431 2HG GLU 41 3HG GLU 41 2.902 15.010 2.127 432 QB GLU 41 QB GLU 41 4.724 14.165 3.894 433 QG GLU 41 QG GLU 41 2.721 15.294 2.941 434 H GLY 42 HN GLY 42 7.543 14.783 2.600 435 1HA GLY 42 1HA GLY 42 9.664 15.868 3.293 436 2HA GLY 42 2HA GLY 42 8.818 16.531 4.677 437 QA GLY 42 QA GLY 42 9.241 16.200 3.985 438 H ILE 43 HN ILE 43 9.721 13.419 3.268 439 HA ILE 43 HA ILE 43 10.153 12.385 6.049 440 HB ILE 43 HB ILE 43 9.783 10.689 3.557 441 1HG1 ILE 43 2HG1 ILE 43 7.768 12.155 3.847 442 2HG1 ILE 43 3HG1 ILE 43 7.420 10.452 4.045 443 1HG2 ILE 43 3HG2 ILE 43 9.454 10.147 6.538 444 2HG2 ILE 43 1HG2 ILE 43 9.124 8.978 5.267 445 3HG2 ILE 43 2HG2 ILE 43 10.762 9.569 5.514 446 1HD1 ILE 43 3HD1 ILE 43 7.881 12.410 6.322 447 2HD1 ILE 43 1HD1 ILE 43 6.315 11.811 5.789 448 3HD1 ILE 43 2HD1 ILE 43 7.477 10.705 6.503 449 QG1 ILE 43 QG1 ILE 43 7.594 11.304 3.946 450 QG2 ILE 43 QG2 ILE 43 9.780 9.565 5.773 451 QD1 ILE 43 QD1 ILE 43 7.224 11.642 6.205 452 H THR 44 HN THR 44 12.151 11.043 6.269 453 HA THR 44 HA THR 44 14.191 11.906 4.248 454 HB THR 44 HB THR 44 15.874 11.528 6.029 455 HG1 THR 44 1HG THR 44 14.033 9.863 6.833 456 1HG2 THR 44 1HG2 THR 44 13.418 12.907 7.229 457 2HG2 THR 44 2HG2 THR 44 15.080 13.102 7.771 458 3HG2 THR 44 3HG2 THR 44 14.591 13.715 6.193 459 QG2 THR 44 QG2 THR 44 14.363 13.241 7.064 460 H LYS 45 HN LYS 45 15.346 10.437 3.124 461 HA LYS 45 HA LYS 45 14.423 7.763 2.814 462 1HB LYS 45 2HB LYS 45 15.992 9.169 1.282 463 2HB LYS 45 3HB LYS 45 17.304 8.649 2.331 464 1HG LYS 45 2HG LYS 45 15.412 6.579 1.233 465 2HG LYS 45 3HG LYS 45 16.632 7.251 0.167 466 1HD LYS 45 2HD LYS 45 17.713 6.489 2.809 467 2HD LYS 45 3HD LYS 45 17.029 5.129 1.928 468 1HE LYS 45 2HE LYS 45 19.126 7.070 0.896 469 2HE LYS 45 3HE LYS 45 19.391 5.386 1.334 470 1HZ LYS 45 2HZ LYS 45 17.282 5.420 -0.488 471 2HZ LYS 45 3HZ LYS 45 18.503 6.434 -1.122 472 3HZ LYS 45 1HZ LYS 45 18.845 4.823 -0.721 473 QB LYS 45 QB LYS 45 16.648 8.909 1.806 474 QG LYS 45 QG LYS 45 16.022 6.915 0.700 475 QD LYS 45 QD LYS 45 17.371 5.809 2.368 476 QE LYS 45 QE LYS 45 19.258 6.228 1.115 477 QZ LYS 45 QZ LYS 45 18.210 5.559 -0.777 478 H GLU 46 HN GLU 46 16.719 9.210 4.992 479 HA GLU 46 HA GLU 46 17.945 6.867 6.036 480 1HB GLU 46 2HB GLU 46 17.264 9.528 7.350 481 2HB GLU 46 3HB GLU 46 18.281 8.308 8.103 482 1HG GLU 46 2HG GLU 46 19.624 10.066 6.935 483 2HG GLU 46 3HG GLU 46 19.903 8.466 6.260 484 QB GLU 46 QB GLU 46 17.772 8.918 7.726 485 QG GLU 46 QG GLU 46 19.763 9.266 6.597 486 H ASP 47 HN ASP 47 15.302 8.726 7.579 487 HA ASP 47 HA ASP 47 14.500 6.888 9.526 488 1HB ASP 47 2HB ASP 47 13.497 9.136 9.386 489 2HB ASP 47 3HB ASP 47 12.787 8.754 7.832 490 QB ASP 47 QB ASP 47 13.142 8.945 8.609 491 H LEU 48 HN LEU 48 13.280 7.144 6.243 492 HA LEU 48 HA LEU 48 11.494 4.916 6.398 493 1HB LEU 48 2HB LEU 48 12.942 6.362 4.149 494 2HB LEU 48 3HB LEU 48 11.900 5.004 3.783 495 HG LEU 48 HG LEU 48 11.029 7.419 5.414 496 1HD1 LEU 48 3HD1 LEU 48 11.595 8.077 3.094 497 2HD1 LEU 48 1HD1 LEU 48 10.557 6.797 2.476 498 3HD1 LEU 48 2HD1 LEU 48 9.857 8.147 3.356 499 1HD2 LEU 48 3HD2 LEU 48 9.457 5.169 4.097 500 2HD2 LEU 48 1HD2 LEU 48 9.664 5.412 5.828 501 3HD2 LEU 48 2HD2 LEU 48 8.740 6.569 4.883 502 QB LEU 48 QB LEU 48 12.421 5.683 3.966 503 QD1 LEU 48 QD1 LEU 48 10.670 7.674 2.975 504 QD2 LEU 48 QD2 LEU 48 9.287 5.717 4.936 505 QQD LEU 48 QQD LEU 48 9.978 6.695 3.956 506 H GLN 49 HN GLN 49 14.751 5.121 5.040 507 HA GLN 49 HA GLN 49 15.250 2.498 4.325 508 1HB GLN 49 2HB GLN 49 16.800 4.440 4.067 509 2HB GLN 49 3HB GLN 49 17.113 4.421 5.790 510 1HG GLN 49 2HG GLN 49 18.327 2.388 5.653 511 2HG GLN 49 3HG GLN 49 17.651 1.998 4.071 512 1HE2 GLN 49 2HE2 GLN 49 20.825 4.550 4.303 513 2HE2 GLN 49 1HE2 GLN 49 20.066 4.014 5.721 514 QB GLN 49 QB GLN 49 16.956 4.431 4.928 515 QG GLN 49 QG GLN 49 17.989 2.193 4.862 516 QE2 GLN 49 QE2 GLN 49 20.445 4.282 5.012 517 H GLN 50 HN GLN 50 15.550 4.009 7.459 518 HA GLN 50 HA GLN 50 16.294 1.772 9.012 519 1HB GLN 50 2HB GLN 50 16.331 4.171 9.753 520 2HB GLN 50 3HB GLN 50 14.587 4.178 9.764 521 1HG GLN 50 2HG GLN 50 16.086 2.165 11.421 522 2HG GLN 50 3HG GLN 50 15.781 3.794 12.012 523 1HE2 GLN 50 2HE2 GLN 50 12.880 1.155 12.451 524 2HE2 GLN 50 1HE2 GLN 50 14.526 0.781 12.276 525 QB GLN 50 QB GLN 50 15.459 4.175 9.758 526 QG GLN 50 QG GLN 50 15.933 2.980 11.716 527 QE2 GLN 50 QE2 GLN 50 13.703 0.968 12.363 528 H LYS 51 HN LYS 51 13.037 3.167 8.685 529 HA LYS 51 HA LYS 51 11.749 0.981 10.040 530 1HB LYS 51 2HB LYS 51 10.978 3.493 8.775 531 2HB LYS 51 3HB LYS 51 9.774 2.239 8.517 532 1HG LYS 51 2HG LYS 51 9.623 1.779 10.873 533 2HG LYS 51 3HG LYS 51 10.989 2.806 11.234 534 1HD LYS 51 2HD LYS 51 8.262 3.664 10.222 535 2HD LYS 51 3HD LYS 51 8.944 3.996 11.806 536 1HE LYS 51 2HE LYS 51 9.681 5.183 9.144 537 2HE LYS 51 3HE LYS 51 9.282 6.008 10.638 538 1HZ LYS 51 3HZ LYS 51 11.599 4.435 11.087 539 2HZ LYS 51 1HZ LYS 51 11.788 5.332 9.661 540 3HZ LYS 51 2HZ LYS 51 11.419 6.137 11.093 541 QB LYS 51 QB LYS 51 10.376 2.866 8.646 542 QG LYS 51 QG LYS 51 10.306 2.293 11.053 543 QD LYS 51 QD LYS 51 8.603 3.830 11.014 544 QE LYS 51 QE LYS 51 9.481 5.596 9.891 545 QZ LYS 51 QZ LYS 51 11.602 5.301 10.614 546 H ALA 52 HN ALA 52 12.662 1.269 6.753 547 HA ALA 52 HA ALA 52 10.662 -0.706 5.872 548 1HB ALA 52 1HB ALA 52 11.291 1.182 4.402 549 2HB ALA 52 2HB ALA 52 12.959 0.624 4.394 550 3HB ALA 52 3HB ALA 52 11.699 -0.354 3.649 551 QB ALA 52 QB ALA 52 11.983 0.484 4.148 552 H GLY 53 HN GLY 53 14.136 -0.544 6.451 553 1HA GLY 53 1HA GLY 53 15.219 -2.624 7.310 554 2HA GLY 53 2HA GLY 53 14.192 -3.538 6.203 555 QA GLY 53 QA GLY 53 14.705 -3.081 6.756 556 H LYS 54 HN LYS 54 16.259 -0.693 5.980 557 HA LYS 54 HA LYS 54 17.660 0.022 4.264 558 1HB LYS 54 2HB LYS 54 19.660 -1.498 3.950 559 2HB LYS 54 3HB LYS 54 19.301 -1.047 5.598 560 1HG LYS 54 2HG LYS 54 19.445 -3.237 6.094 561 2HG LYS 54 3HG LYS 54 17.899 -3.436 5.322 562 1HD LYS 54 2HD LYS 54 19.579 -3.494 3.139 563 2HD LYS 54 3HD LYS 54 20.599 -4.203 4.383 564 1HE LYS 54 2HE LYS 54 19.351 -5.998 3.321 565 2HE LYS 54 3HE LYS 54 18.719 -5.781 4.951 566 1HZ LYS 54 3HZ LYS 54 17.335 -4.055 3.210 567 2HZ LYS 54 1HZ LYS 54 17.323 -5.614 2.533 568 3HZ LYS 54 2HZ LYS 54 16.720 -5.347 4.103 569 QB LYS 54 QB LYS 54 19.480 -1.272 4.774 570 QG LYS 54 QG LYS 54 18.672 -3.336 5.708 571 QD LYS 54 QD LYS 54 20.089 -3.848 3.761 572 QE LYS 54 QE LYS 54 19.035 -5.889 4.136 573 QZ LYS 54 QZ LYS 54 17.126 -5.005 3.282 574 HA PRO 55 HA PRO 55 16.120 -1.979 0.507 575 1HB PRO 55 2HB PRO 55 14.407 0.290 -0.020 576 2HB PRO 55 3HB PRO 55 13.915 -1.366 0.334 577 1HG PRO 55 2HG PRO 55 13.479 0.813 2.042 578 2HG PRO 55 3HG PRO 55 13.459 -0.879 2.542 579 1HD PRO 55 2HD PRO 55 15.665 1.147 2.831 580 2HD PRO 55 3HD PRO 55 15.176 -0.153 3.939 581 QB PRO 55 QB PRO 55 14.161 -0.538 0.157 582 QG PRO 55 QG PRO 55 13.469 -0.033 2.292 583 QD PRO 55 QD PRO 55 15.420 0.497 3.385 584 H VAL 56 HN VAL 56 18.300 -0.319 1.273 585 HA VAL 56 HA VAL 56 19.795 1.321 0.494 586 HB VAL 56 HB VAL 56 19.344 -0.331 -1.943 587 1HG1 VAL 56 2HG1 VAL 56 21.791 1.120 -0.898 588 2HG1 VAL 56 3HG1 VAL 56 21.770 0.075 -2.314 589 3HG1 VAL 56 1HG1 VAL 56 20.863 1.580 -2.320 590 1HG2 VAL 56 1HG2 VAL 56 21.048 -0.874 0.497 591 2HG2 VAL 56 2HG2 VAL 56 19.599 -1.766 0.045 592 3HG2 VAL 56 3HG2 VAL 56 21.038 -1.857 -0.962 593 QG1 VAL 56 QG1 VAL 56 21.475 0.925 -1.844 594 QG2 VAL 56 QG2 VAL 56 20.562 -1.499 -0.140 595 QQG VAL 56 QQG VAL 56 21.018 -0.287 -0.992 596 H GLU 57 HN GLU 57 18.761 1.159 -2.772 597 HA GLU 57 HA GLU 57 17.666 3.941 -2.589 598 1HB GLU 57 2HB GLU 57 20.112 3.361 -3.597 599 2HB GLU 57 3HB GLU 57 19.158 3.043 -5.037 600 1HG GLU 57 2HG GLU 57 19.943 5.390 -4.995 601 2HG GLU 57 3HG GLU 57 18.188 5.319 -4.896 602 QB GLU 57 QB GLU 57 19.635 3.202 -4.317 603 QG GLU 57 QG GLU 57 19.065 5.355 -4.946 604 H THR 58 HN THR 58 15.999 1.703 -2.543 605 HA THR 58 HA THR 58 14.901 1.735 -5.330 606 HB THR 58 HB THR 58 13.977 -0.542 -4.805 607 HG1 THR 58 1HG THR 58 15.297 0.102 -2.366 608 1HG2 THR 58 1HG2 THR 58 16.926 -0.240 -4.047 609 2HG2 THR 58 2HG2 THR 58 16.151 -1.721 -4.600 610 3HG2 THR 58 3HG2 THR 58 16.340 -0.362 -5.703 611 QG2 THR 58 QG2 THR 58 16.472 -0.774 -4.783 612 H VAL 59 HN VAL 59 13.010 2.655 -5.669 613 HA VAL 59 HA VAL 59 10.928 2.661 -3.525 614 HB VAL 59 HB VAL 59 10.308 4.997 -4.192 615 1HG1 VAL 59 3HG1 VAL 59 11.840 4.653 -2.282 616 2HG1 VAL 59 1HG1 VAL 59 13.216 4.724 -3.376 617 3HG1 VAL 59 2HG1 VAL 59 12.209 6.146 -3.135 618 1HG2 VAL 59 3HG2 VAL 59 12.817 4.883 -5.886 619 2HG2 VAL 59 1HG2 VAL 59 11.167 4.972 -6.495 620 3HG2 VAL 59 2HG2 VAL 59 11.847 6.320 -5.591 621 QG1 VAL 59 QG1 VAL 59 12.422 5.174 -2.931 622 QG2 VAL 59 QG2 VAL 59 11.944 5.392 -5.991 623 QQG VAL 59 QQG VAL 59 12.183 5.283 -4.461 624 HA PRO 60 HA PRO 60 8.848 3.914 -3.687 625 1HB PRO 60 2HB PRO 60 6.208 3.212 -3.911 626 2HB PRO 60 3HB PRO 60 6.912 4.575 -4.788 627 1HG PRO 60 2HG PRO 60 6.204 1.836 -5.798 628 2HG PRO 60 3HG PRO 60 6.144 3.386 -6.643 629 1HD PRO 60 2HD PRO 60 8.190 1.476 -6.912 630 2HD PRO 60 3HD PRO 60 8.334 3.183 -7.373 631 QB PRO 60 QB PRO 60 6.560 3.894 -4.350 632 QG PRO 60 QG PRO 60 6.174 2.611 -6.221 633 QD PRO 60 QD PRO 60 8.262 2.330 -7.143 634 H GLN 61 HN GLN 61 7.587 3.054 -1.730 635 HA GLN 61 HA GLN 61 7.920 0.088 -1.512 636 1HB GLN 61 2HB GLN 61 8.883 2.254 0.353 637 2HB GLN 61 3HB GLN 61 8.571 0.627 0.947 638 1HG GLN 61 2HG GLN 61 10.202 -0.333 -0.525 639 2HG GLN 61 3HG GLN 61 10.347 1.161 -1.451 640 1HE2 GLN 61 2HE2 GLN 61 13.105 1.923 0.595 641 2HE2 GLN 61 1HE2 GLN 61 12.553 1.603 -0.972 642 QB GLN 61 QB GLN 61 8.727 1.441 0.650 643 QG GLN 61 QG GLN 61 10.274 0.414 -0.988 644 QE2 GLN 61 QE2 GLN 61 12.829 1.763 -0.189 645 H ILE 62 HN ILE 62 6.533 -0.965 -0.139 646 HA ILE 62 HA ILE 62 4.145 0.613 0.774 647 HB ILE 62 HB ILE 62 4.192 -2.304 -0.089 648 1HG1 ILE 62 2HG1 ILE 62 4.737 -0.929 -2.029 649 2HG1 ILE 62 3HG1 ILE 62 3.082 -1.494 -2.181 650 1HG2 ILE 62 1HG2 ILE 62 1.908 -0.360 0.430 651 2HG2 ILE 62 2HG2 ILE 62 1.711 -1.998 -0.187 652 3HG2 ILE 62 3HG2 ILE 62 2.344 -1.733 1.436 653 1HD1 ILE 62 3HD1 ILE 62 3.905 1.246 -1.163 654 2HD1 ILE 62 1HD1 ILE 62 3.246 0.904 -2.747 655 3HD1 ILE 62 2HD1 ILE 62 2.255 0.671 -1.314 656 QG1 ILE 62 QG1 ILE 62 3.909 -1.211 -2.105 657 QG2 ILE 62 QG2 ILE 62 1.988 -1.364 0.560 658 QD1 ILE 62 QD1 ILE 62 3.135 0.940 -1.741 659 H PHE 63 HN PHE 63 3.332 0.229 2.717 660 HA PHE 63 HA PHE 63 4.783 -1.667 4.526 661 1HB PHE 63 2HB PHE 63 3.843 1.167 4.947 662 2HB PHE 63 3HB PHE 63 3.901 0.071 6.319 663 HD1 PHE 63 HD2 PHE 63 5.986 1.607 3.633 664 HD2 PHE 63 HD1 PHE 63 5.952 -0.505 7.334 665 HE1 PHE 63 HE2 PHE 63 8.388 2.058 3.922 666 HE2 PHE 63 HE1 PHE 63 8.344 -0.028 7.630 667 HZ PHE 63 HZ PHE 63 9.554 1.262 5.920 668 QB PHE 63 QB PHE 63 3.872 0.619 5.633 669 QR PHE 63 QR PHE 63 7.167 0.783 5.630 670 H VAL 64 HN VAL 64 3.516 -2.628 6.122 671 HA VAL 64 HA VAL 64 0.558 -2.447 5.817 672 HB VAL 64 HB VAL 64 2.253 -4.959 6.155 673 1HG1 VAL 64 3HG1 VAL 64 -0.770 -4.631 5.964 674 2HG1 VAL 64 1HG1 VAL 64 0.089 -6.168 6.016 675 3HG1 VAL 64 2HG1 VAL 64 0.117 -5.098 7.412 676 1HG2 VAL 64 3HG2 VAL 64 0.488 -3.987 3.874 677 2HG2 VAL 64 1HG2 VAL 64 2.245 -4.044 3.852 678 3HG2 VAL 64 2HG2 VAL 64 1.317 -5.538 3.918 679 QG1 VAL 64 QG1 VAL 64 -0.188 -5.299 6.464 680 QG2 VAL 64 QG2 VAL 64 1.350 -4.523 3.881 681 QQG VAL 64 QQG VAL 64 0.581 -4.911 5.173 682 H ASP 65 HN ASP 65 0.141 -1.342 7.639 683 HA ASP 65 HA ASP 65 0.043 -0.753 9.874 684 1HB ASP 65 2HB ASP 65 0.396 -3.755 10.105 685 2HB ASP 65 3HB ASP 65 -0.190 -2.716 11.397 686 QB ASP 65 QB ASP 65 0.103 -3.235 10.751 687 H GLN 66 HN GLN 66 2.203 -3.397 10.315 688 HA GLN 66 HA GLN 66 4.262 -1.564 11.434 689 1HB GLN 66 2HB GLN 66 3.185 -2.821 13.222 690 2HB GLN 66 3HB GLN 66 3.429 -4.334 12.366 691 1HG GLN 66 2HG GLN 66 5.903 -2.752 12.912 692 2HG GLN 66 3HG GLN 66 5.099 -3.432 14.320 693 1HE2 GLN 66 2HE2 GLN 66 7.109 -5.888 11.812 694 2HE2 GLN 66 1HE2 GLN 66 7.038 -4.212 11.535 695 QB GLN 66 QB GLN 66 3.307 -3.577 12.794 696 QG GLN 66 QG GLN 66 5.501 -3.092 13.616 697 QE2 GLN 66 QE2 GLN 66 7.073 -5.050 11.673 698 H GLN 67 HN GLN 67 3.721 -4.237 9.240 699 HA GLN 67 HA GLN 67 6.632 -4.792 9.125 700 1HB GLN 67 2HB GLN 67 4.188 -6.188 7.986 701 2HB GLN 67 3HB GLN 67 5.819 -6.651 7.573 702 1HG GLN 67 2HG GLN 67 6.331 -7.106 9.948 703 2HG GLN 67 3HG GLN 67 4.718 -6.583 10.405 704 1HE2 GLN 67 2HE2 GLN 67 4.088 -9.822 8.125 705 2HE2 GLN 67 1HE2 GLN 67 4.463 -8.299 7.476 706 QB GLN 67 QB GLN 67 5.003 -6.419 7.779 707 QG GLN 67 QG GLN 67 5.524 -6.844 10.176 708 QE2 GLN 67 QE2 GLN 67 4.275 -9.060 7.800 709 H HIS 68 HN HIS 68 7.740 -4.780 7.130 710 HA HIS 68 HA HIS 68 6.684 -2.812 5.144 711 1HB HIS 68 2HB HIS 68 8.864 -2.254 6.094 712 2HB HIS 68 3HB HIS 68 9.470 -3.853 5.761 713 HD1 HIS 68 HD1 HIS 68 11.240 -3.320 4.175 714 HD2 HIS 68 HD2 HIS 68 7.762 -1.431 3.037 715 HE1 HIS 68 HE1 HIS 68 11.605 -2.500 1.814 716 QB HIS 68 QB HIS 68 9.167 -3.053 5.927 717 H ILE 69 HN ILE 69 6.401 -3.538 2.987 718 HA ILE 69 HA ILE 69 6.665 -6.510 2.709 719 HB ILE 69 HB ILE 69 5.042 -4.607 0.982 720 1HG1 ILE 69 2HG1 ILE 69 4.192 -4.521 3.279 721 2HG1 ILE 69 3HG1 ILE 69 3.071 -5.408 2.260 722 1HG2 ILE 69 2HG2 ILE 69 4.989 -7.634 1.311 723 2HG2 ILE 69 3HG2 ILE 69 3.877 -6.701 0.316 724 3HG2 ILE 69 1HG2 ILE 69 5.588 -6.750 -0.087 725 1HD1 ILE 69 1HD1 ILE 69 5.122 -6.665 4.132 726 2HD1 ILE 69 2HD1 ILE 69 3.392 -6.560 4.423 727 3HD1 ILE 69 3HD1 ILE 69 3.998 -7.554 3.110 728 QG1 ILE 69 QG1 ILE 69 3.631 -4.964 2.769 729 QG2 ILE 69 QG2 ILE 69 4.818 -7.028 0.513 730 QD1 ILE 69 QD1 ILE 69 4.171 -6.926 3.888 731 H GLY 70 HN GLY 70 7.346 -3.505 1.031 732 1HA GLY 70 1HA GLY 70 9.715 -3.659 -0.031 733 2HA GLY 70 2HA GLY 70 9.047 -5.047 -0.891 734 QA GLY 70 QA GLY 70 9.381 -4.353 -0.461 735 H GLY 71 HN GLY 71 8.659 -4.454 -2.954 736 1HA GLY 71 1HA GLY 71 7.696 -1.670 -3.464 737 2HA GLY 71 2HA GLY 71 8.487 -2.699 -4.655 738 QA GLY 71 QA GLY 71 8.091 -2.184 -4.060 739 OH TYR 72 OH TYR 72 -1.027 -3.744 -8.611 740 H TYR 72 HN TYR 72 6.316 -1.660 -5.597 741 HA TYR 72 HA TYR 72 3.791 -2.641 -5.031 742 1HB TYR 72 2HB TYR 72 4.221 -1.032 -6.867 743 2HB TYR 72 3HB TYR 72 4.905 -2.332 -7.842 744 HD1 TYR 72 HD2 TYR 72 1.853 -1.763 -5.738 745 HD2 TYR 72 HD1 TYR 72 3.403 -3.293 -9.389 746 HE1 TYR 72 HE2 TYR 72 -0.383 -2.562 -6.347 747 HE2 TYR 72 HE1 TYR 72 1.159 -4.040 -10.027 748 HH TYR 72 HH TYR 72 -1.485 -4.067 -7.821 749 QB TYR 72 QB TYR 72 4.563 -1.682 -7.355 750 QR TYR 72 QR TYR 72 1.508 -2.914 -7.875 751 H THR 73 HN THR 73 6.382 -4.427 -6.649 752 HA THR 73 HA THR 73 4.829 -6.645 -7.540 753 HB THR 73 HB THR 73 7.190 -7.847 -7.148 754 HG1 THR 73 1HG THR 73 8.330 -6.507 -5.896 755 1HG2 THR 73 3HG2 THR 73 6.999 -5.316 -8.854 756 2HG2 THR 73 1HG2 THR 73 8.124 -6.646 -9.108 757 3HG2 THR 73 2HG2 THR 73 6.398 -6.888 -9.367 758 QG2 THR 73 QG2 THR 73 7.174 -6.283 -9.110 759 H ASP 74 HN ASP 74 6.865 -6.412 -4.669 760 HA ASP 74 HA ASP 74 5.989 -8.753 -3.364 761 1HB ASP 74 2HB ASP 74 6.751 -6.154 -1.988 762 2HB ASP 74 3HB ASP 74 6.983 -7.797 -1.385 763 QB ASP 74 QB ASP 74 6.867 -6.975 -1.687 764 H PHE 75 HN PHE 75 4.673 -5.481 -3.296 765 HA PHE 75 HA PHE 75 2.628 -5.955 -1.378 766 1HB PHE 75 2HB PHE 75 3.246 -3.697 -2.249 767 2HB PHE 75 3HB PHE 75 2.516 -4.106 -3.795 768 HD1 PHE 75 HD2 PHE 75 0.699 -5.485 -0.964 769 HD2 PHE 75 HD1 PHE 75 1.187 -1.968 -3.315 770 HE1 PHE 75 HE2 PHE 75 -1.454 -4.663 -0.172 771 HE2 PHE 75 HE1 PHE 75 -0.998 -1.174 -2.548 772 HZ PHE 75 HZ PHE 75 -2.323 -2.513 -0.971 773 QB PHE 75 QB PHE 75 2.881 -3.901 -3.022 774 QR PHE 75 QR PHE 75 -0.142 -3.322 -1.750 775 H ALA 76 HN ALA 76 2.345 -6.045 -4.944 776 HA ALA 76 HA ALA 76 -0.311 -7.000 -5.079 777 1HB ALA 76 2HB ALA 76 2.003 -7.638 -6.944 778 2HB ALA 76 3HB ALA 76 0.297 -7.851 -7.333 779 3HB ALA 76 1HB ALA 76 0.945 -6.237 -7.064 780 QB ALA 76 QB ALA 76 1.082 -7.242 -7.114 781 H ALA 77 HN ALA 77 2.717 -8.863 -5.066 782 HA ALA 77 HA ALA 77 1.519 -11.453 -5.089 783 1HB ALA 77 1HB ALA 77 3.941 -11.082 -5.476 784 2HB ALA 77 2HB ALA 77 4.139 -10.595 -3.798 785 3HB ALA 77 3HB ALA 77 3.682 -12.254 -4.187 786 QB ALA 77 QB ALA 77 3.921 -11.310 -4.487 787 CH2 TRP 78 CH2 TRP 78 -1.412 -7.072 3.545 788 H TRP 78 HN TRP 78 2.719 -9.525 -2.347 789 HA TRP 78 HA TRP 78 1.988 -11.216 -0.227 790 1HB TRP 78 2HB TRP 78 3.185 -9.105 0.119 791 2HB TRP 78 3HB TRP 78 1.791 -8.205 -0.391 792 HD1 TRP 78 HD1 TRP 78 2.930 -10.400 2.627 793 HE1 TRP 78 HE1 TRP 78 1.548 -9.794 4.631 794 HE3 TRP 78 HE3 TRP 78 -0.179 -7.256 0.383 795 HZ2 TRP 78 HZ2 TRP 78 -0.681 -8.160 5.232 796 HZ3 TRP 78 HZ3 TRP 78 -1.942 -6.115 1.710 797 HH2 TRP 78 HH2 TRP 78 -2.189 -6.575 4.109 798 QB TRP 78 QB TRP 78 2.488 -8.655 -0.136 799 H VAL 79 HN VAL 79 0.073 -8.682 -1.744 800 HA VAL 79 HA VAL 79 -2.356 -9.052 -0.402 801 HB VAL 79 HB VAL 79 -1.715 -8.212 -3.248 802 1HG1 VAL 79 1HG1 VAL 79 -4.454 -8.201 -1.928 803 2HG1 VAL 79 2HG1 VAL 79 -4.066 -7.490 -3.484 804 3HG1 VAL 79 3HG1 VAL 79 -3.990 -9.230 -3.276 805 1HG2 VAL 79 3HG2 VAL 79 -2.725 -6.759 -0.780 806 2HG2 VAL 79 1HG2 VAL 79 -1.103 -6.675 -1.446 807 3HG2 VAL 79 2HG2 VAL 79 -2.454 -6.003 -2.343 808 QG1 VAL 79 QG1 VAL 79 -4.170 -8.307 -2.896 809 QG2 VAL 79 QG2 VAL 79 -2.094 -6.479 -1.523 810 QQG VAL 79 QQG VAL 79 -3.132 -7.393 -2.210 811 H LYS 80 HN LYS 80 -1.482 -10.435 -3.545 812 HA LYS 80 HA LYS 80 -3.620 -12.112 -3.957 813 1HB LYS 80 2HB LYS 80 -1.169 -11.728 -5.141 814 2HB LYS 80 3HB LYS 80 -1.005 -13.372 -4.555 815 1HG LYS 80 2HG LYS 80 -3.466 -12.516 -6.109 816 2HG LYS 80 3HG LYS 80 -1.997 -12.990 -6.940 817 1HD LYS 80 2HD LYS 80 -3.027 -15.049 -6.846 818 2HD LYS 80 3HD LYS 80 -2.146 -15.100 -5.337 819 1HE LYS 80 2HE LYS 80 -4.542 -13.847 -4.622 820 2HE LYS 80 3HE LYS 80 -5.051 -15.020 -5.820 821 1HZ LYS 80 1HZ LYS 80 -3.239 -16.274 -4.070 822 2HZ LYS 80 2HZ LYS 80 -4.394 -15.435 -3.157 823 3HZ LYS 80 3HZ LYS 80 -4.923 -16.591 -4.280 824 QB LYS 80 QB LYS 80 -1.087 -12.550 -4.848 825 QG LYS 80 QG LYS 80 -2.732 -12.753 -6.525 826 QD LYS 80 QD LYS 80 -2.587 -15.074 -6.092 827 QE LYS 80 QE LYS 80 -4.797 -14.433 -5.221 828 QZ LYS 80 QZ LYS 80 -4.185 -16.100 -3.836 829 H GLU 81 HN GLU 81 -0.700 -13.099 -2.116 830 HA GLU 81 HA GLU 81 -2.137 -15.576 -1.340 831 1HB GLU 81 2HB GLU 81 0.681 -14.564 -1.129 832 2HB GLU 81 3HB GLU 81 0.179 -15.779 0.030 833 1HG GLU 81 2HG GLU 81 1.240 -16.689 -2.095 834 2HG GLU 81 3HG GLU 81 -0.333 -17.366 -1.705 835 QB GLU 81 QB GLU 81 0.430 -15.171 -0.550 836 QG GLU 81 QG GLU 81 0.453 -17.027 -1.900 837 H ASN 82 HN ASN 82 -2.745 -12.752 -0.183 838 HA ASN 82 HA ASN 82 -2.858 -13.745 2.642 839 1HB ASN 82 2HB ASN 82 -2.005 -11.035 1.639 840 2HB ASN 82 3HB ASN 82 -2.782 -11.173 3.210 841 1HD2 ASN 82 2HD2 ASN 82 0.926 -12.810 2.662 842 2HD2 ASN 82 1HD2 ASN 82 -0.019 -12.365 1.320 843 QB ASN 82 QB ASN 82 -2.394 -11.104 2.424 844 QD2 ASN 82 QD2 ASN 82 0.453 -12.587 1.991 845 H LEU 83 HN LEU 83 -4.262 -11.593 0.233 846 HA LEU 83 HA LEU 83 -6.799 -11.548 1.813 847 1HB LEU 83 2HB LEU 83 -6.177 -9.913 -0.635 848 2HB LEU 83 3HB LEU 83 -7.395 -9.588 0.590 849 HG LEU 83 HG LEU 83 -4.375 -9.421 0.959 850 1HD1 LEU 83 2HD1 LEU 83 -5.419 -7.543 -0.276 851 2HD1 LEU 83 3HD1 LEU 83 -6.552 -7.303 1.041 852 3HD1 LEU 83 1HD1 LEU 83 -4.835 -7.027 1.296 853 1HD2 LEU 83 1HD2 LEU 83 -6.614 -8.912 2.958 854 2HD2 LEU 83 2HD2 LEU 83 -5.462 -10.238 3.030 855 3HD2 LEU 83 3HD2 LEU 83 -4.910 -8.580 3.238 856 QB LEU 83 QB LEU 83 -6.786 -9.750 -0.023 857 QD1 LEU 83 QD1 LEU 83 -5.602 -7.291 0.687 858 QD2 LEU 83 QD2 LEU 83 -5.662 -9.243 3.075 859 QQD LEU 83 QQD LEU 83 -5.632 -8.267 1.881 860 H ASP 84 HN ASP 84 -5.964 -13.829 0.274 861 HA ASP 84 HA ASP 84 -7.762 -13.815 -2.058 862 1HB ASP 84 2HB ASP 84 -5.430 -15.148 -1.557 863 2HB ASP 84 3HB ASP 84 -6.582 -16.380 -1.075 864 QB ASP 84 QB ASP 84 -6.006 -15.764 -1.316 865 H ALA 85 HN ALA 85 -9.129 -13.099 -0.067 866 HA ALA 85 HA ALA 85 -11.482 -14.304 0.253 867 1HB ALA 85 2HB ALA 85 -9.626 -15.552 2.325 868 2HB ALA 85 3HB ALA 85 -11.381 -15.667 2.353 869 3HB ALA 85 1HB ALA 85 -10.472 -16.424 1.052 870 QB ALA 85 QB ALA 85 -10.493 -15.881 1.910 Start of MODEL 2 Raw file had 870 H/Q atoms Start of MODEL 2 1 H MET 1 HN MET 1 -5.963 -5.299 6.592 2 HA MET 1 HA MET 1 -6.491 -3.384 8.597 3 1HB MET 1 2HB MET 1 -3.797 -4.384 7.579 4 2HB MET 1 3HB MET 1 -4.078 -3.589 9.120 5 1HG MET 1 2HG MET 1 -3.949 -5.992 9.436 6 2HG MET 1 3HG MET 1 -5.541 -5.406 9.836 7 1HE MET 1 3HE MET 1 -3.304 -7.501 7.621 8 2HE MET 1 1HE MET 1 -4.334 -8.048 6.303 9 3HE MET 1 2HE MET 1 -3.840 -6.359 6.385 10 QB MET 1 QB MET 1 -3.937 -3.986 8.349 11 QG MET 1 QG MET 1 -4.745 -5.699 9.636 12 QE MET 1 QE MET 1 -3.826 -7.303 6.769 13 H GLN 2 HN GLN 2 -4.199 -1.819 8.662 14 HA GLN 2 HA GLN 2 -4.854 0.343 6.868 15 1HB GLN 2 2HB GLN 2 -4.491 0.898 9.173 16 2HB GLN 2 3HB GLN 2 -3.080 -0.141 9.280 17 1HG GLN 2 2HG GLN 2 -2.227 1.613 7.377 18 2HG GLN 2 3HG GLN 2 -3.323 2.623 8.297 19 1HE2 GLN 2 2HE2 GLN 2 0.255 1.539 9.882 20 2HE2 GLN 2 1HE2 GLN 2 -0.209 1.144 8.294 21 QB GLN 2 QB GLN 2 -3.786 0.379 9.226 22 QG GLN 2 QG GLN 2 -2.775 2.118 7.837 23 QE2 GLN 2 QE2 GLN 2 0.023 1.342 9.088 24 H THR 3 HN THR 3 -3.953 0.216 4.856 25 HA THR 3 HA THR 3 -1.170 -0.862 4.588 26 HB THR 3 HB THR 3 -3.278 -0.272 2.439 27 HG1 THR 3 1HG THR 3 -3.990 -2.132 3.142 28 1HG2 THR 3 1HG2 THR 3 -0.868 -0.342 1.613 29 2HG2 THR 3 2HG2 THR 3 -0.712 -1.935 2.339 30 3HG2 THR 3 3HG2 THR 3 -1.834 -1.680 1.007 31 QG2 THR 3 QG2 THR 3 -1.138 -1.319 1.653 32 H VAL 4 HN VAL 4 0.489 0.602 4.326 33 HA VAL 4 HA VAL 4 -0.272 3.358 3.410 34 HB VAL 4 HB VAL 4 2.072 2.634 5.208 35 1HG1 VAL 4 2HG1 VAL 4 0.881 5.303 4.340 36 2HG1 VAL 4 3HG1 VAL 4 2.188 5.114 5.504 37 3HG1 VAL 4 1HG1 VAL 4 2.436 4.653 3.824 38 1HG2 VAL 4 3HG2 VAL 4 -0.094 2.344 6.386 39 2HG2 VAL 4 1HG2 VAL 4 0.792 3.725 7.018 40 3HG2 VAL 4 2HG2 VAL 4 -0.562 3.973 5.922 41 QG1 VAL 4 QG1 VAL 4 1.835 5.023 4.556 42 QG2 VAL 4 QG2 VAL 4 0.045 3.347 6.442 43 QQG VAL 4 QQG VAL 4 0.940 4.185 5.499 44 H ILE 5 HN ILE 5 0.665 4.043 1.617 45 HA ILE 5 HA ILE 5 2.957 2.471 0.496 46 HB ILE 5 HB ILE 5 1.006 4.398 -0.857 47 1HG1 ILE 5 2HG1 ILE 5 0.250 2.507 -2.187 48 2HG1 ILE 5 3HG1 ILE 5 1.431 1.452 -1.440 49 1HG2 ILE 5 2HG2 ILE 5 3.347 2.842 -2.028 50 2HG2 ILE 5 3HG2 ILE 5 2.174 3.763 -2.965 51 3HG2 ILE 5 1HG2 ILE 5 3.253 4.593 -1.851 52 1HD1 ILE 5 2HD1 ILE 5 -0.834 2.808 0.065 53 2HD1 ILE 5 3HD1 ILE 5 -0.884 1.150 -0.526 54 3HD1 ILE 5 1HD1 ILE 5 0.275 1.601 0.715 55 QG1 ILE 5 QG1 ILE 5 0.840 1.980 -1.813 56 QG2 ILE 5 QG2 ILE 5 2.925 3.733 -2.281 57 QD1 ILE 5 QD1 ILE 5 -0.481 1.853 0.085 58 H PHE 6 HN PHE 6 4.904 3.479 0.380 59 HA PHE 6 HA PHE 6 5.020 6.436 0.911 60 1HB PHE 6 2HB PHE 6 6.860 4.177 1.759 61 2HB PHE 6 3HB PHE 6 7.447 5.828 1.648 62 HD1 PHE 6 1HD PHE 6 6.622 7.567 3.179 63 HD2 PHE 6 2HD PHE 6 5.207 3.559 3.487 64 HE1 PHE 6 1HE PHE 6 5.741 8.046 5.419 65 HE2 PHE 6 2HE PHE 6 4.314 4.048 5.718 66 HZ PHE 6 HZ PHE 6 4.588 6.285 6.694 67 QB PHE 6 QB PHE 6 7.153 5.002 1.703 68 QR PHE 6 QR PHE 6 5.471 5.805 4.451 69 H GLY 7 HN GLY 7 5.342 7.328 -1.027 70 1HA GLY 7 1HA GLY 7 7.518 6.242 -2.726 71 2HA GLY 7 2HA GLY 7 5.922 6.366 -3.464 72 QA GLY 7 QA GLY 7 6.720 6.304 -3.095 73 NH1 ARG 8 NH2 ARG 8 8.411 14.640 -7.311 74 NH2 ARG 8 NH1 ARG 8 10.480 14.225 -8.197 75 H ARG 8 HN ARG 8 6.939 7.845 -4.959 76 HA ARG 8 HA ARG 8 7.345 10.565 -3.766 77 1HB ARG 8 2HB ARG 8 9.185 9.246 -5.309 78 2HB ARG 8 3HB ARG 8 8.271 10.069 -6.563 79 1HG ARG 8 2HG ARG 8 8.530 12.160 -4.909 80 2HG ARG 8 3HG ARG 8 9.898 11.232 -4.324 81 1HD ARG 8 2HD ARG 8 10.848 12.593 -6.007 82 2HD ARG 8 3HD ARG 8 10.614 11.046 -6.817 83 HE ARG 8 HE ARG 8 8.545 12.038 -7.878 84 1HH1 ARG 8 2HH2 ARG 8 7.562 14.281 -6.893 85 2HH1 ARG 8 1HH2 ARG 8 8.499 15.623 -7.458 86 1HH2 ARG 8 2HH1 ARG 8 11.189 13.557 -8.436 87 2HH2 ARG 8 1HH1 ARG 8 10.633 15.195 -8.386 88 QB ARG 8 QB ARG 8 8.728 9.658 -5.936 89 QG ARG 8 QG ARG 8 9.214 11.696 -4.617 90 QD ARG 8 QD ARG 8 10.731 11.819 -6.412 91 QH1 ARG 8 QH2 ARG 8 8.030 14.952 -7.175 92 QH2 ARG 8 QH1 ARG 8 10.911 14.376 -8.411 93 H SER 9 HN SER 9 7.175 11.934 -6.150 94 HA SER 9 HA SER 9 4.361 11.507 -7.030 95 1HB SER 9 2HB SER 9 4.454 14.171 -7.054 96 2HB SER 9 3HB SER 9 4.202 13.335 -5.509 97 HG SER 9 HG SER 9 6.167 13.841 -4.884 98 QB SER 9 QB SER 9 4.328 13.753 -6.282 99 H GLY 10 HN GLY 10 3.930 12.275 -9.208 100 1HA GLY 10 1HA GLY 10 4.850 13.536 -11.178 101 2HA GLY 10 2HA GLY 10 6.415 12.850 -10.787 102 QA GLY 10 QA GLY 10 5.632 13.193 -10.982 103 H CYS 11 HN CYS 11 5.653 10.121 -10.435 104 HA CYS 11 HA CYS 11 5.018 9.530 -13.292 105 1HB CYS 11 2HB CYS 11 6.433 7.800 -11.258 106 2HB CYS 11 3HB CYS 11 6.218 7.424 -12.948 107 HG CYS 11 HG CYS 11 8.303 9.393 -11.819 108 QB CYS 11 QB CYS 11 6.326 7.612 -12.103 109 HA PRO 12 HA PRO 12 1.491 7.205 -11.894 110 1HB PRO 12 2HB PRO 12 0.867 6.008 -14.287 111 2HB PRO 12 3HB PRO 12 0.511 7.702 -13.931 112 1HG PRO 12 2HG PRO 12 2.688 6.541 -15.633 113 2HG PRO 12 3HG PRO 12 1.844 8.084 -15.801 114 1HD PRO 12 2HD PRO 12 4.415 7.741 -14.687 115 2HD PRO 12 3HD PRO 12 3.398 9.185 -14.510 116 QB PRO 12 QB PRO 12 0.689 6.855 -14.109 117 QG PRO 12 QG PRO 12 2.266 7.312 -15.717 118 QD PRO 12 QD PRO 12 3.906 8.463 -14.598 119 OH TYR 13 OH TYR 13 7.830 -1.065 -10.212 120 H TYR 13 HN TYR 13 3.394 6.034 -10.765 121 HA TYR 13 HA TYR 13 3.554 3.206 -11.780 122 1HB TYR 13 2HB TYR 13 5.731 4.507 -11.505 123 2HB TYR 13 3HB TYR 13 5.415 4.569 -9.781 124 HD1 TYR 13 HD2 TYR 13 5.413 1.998 -12.523 125 HD2 TYR 13 HD1 TYR 13 6.464 2.895 -8.495 126 HE1 TYR 13 HE2 TYR 13 6.545 -0.171 -12.334 127 HE2 TYR 13 HE1 TYR 13 7.587 0.715 -8.308 128 HH TYR 13 HH TYR 13 8.519 -1.071 -10.886 129 QB TYR 13 QB TYR 13 5.573 4.538 -10.643 130 QR TYR 13 QR TYR 13 6.502 1.359 -10.415 131 H CYS 14 HN CYS 14 4.001 4.704 -8.593 132 HA CYS 14 HA CYS 14 2.810 2.658 -7.071 133 1HB CYS 14 2HB CYS 14 2.400 5.510 -6.227 134 2HB CYS 14 3HB CYS 14 2.843 4.126 -5.266 135 HG CYS 14 HG CYS 14 5.212 4.689 -5.504 136 QB CYS 14 QB CYS 14 2.621 4.818 -5.746 137 H VAL 15 HN VAL 15 1.446 5.170 -8.971 138 HA VAL 15 HA VAL 15 -1.134 5.554 -8.144 139 HB VAL 15 HB VAL 15 -0.004 5.036 -10.910 140 1HG1 VAL 15 3HG1 VAL 15 -2.850 5.893 -10.265 141 2HG1 VAL 15 1HG1 VAL 15 -2.129 5.873 -11.869 142 3HG1 VAL 15 2HG1 VAL 15 -2.385 4.368 -11.002 143 1HG2 VAL 15 2HG2 VAL 15 -1.048 7.513 -9.490 144 2HG2 VAL 15 3HG2 VAL 15 0.647 7.126 -9.768 145 3HG2 VAL 15 1HG2 VAL 15 -0.413 7.486 -11.131 146 QG1 VAL 15 QG1 VAL 15 -2.455 5.378 -11.045 147 QG2 VAL 15 QG2 VAL 15 -0.272 7.375 -10.130 148 QQG VAL 15 QQG VAL 15 -1.363 6.377 -10.588 149 NH1 ARG 16 NH2 ARG 16 -3.297 2.028 -12.215 150 NH2 ARG 16 NH1 ARG 16 -5.430 1.405 -11.683 151 H ARG 16 HN ARG 16 0.134 2.611 -9.686 152 HA ARG 16 HA ARG 16 -2.469 1.393 -9.777 153 1HB ARG 16 2HB ARG 16 -0.561 0.949 -11.361 154 2HB ARG 16 3HB ARG 16 0.280 0.158 -10.039 155 1HG ARG 16 2HG ARG 16 -0.763 -1.573 -11.176 156 2HG ARG 16 3HG ARG 16 -1.790 -1.307 -9.784 157 1HD ARG 16 2HD ARG 16 -2.302 -0.206 -12.580 158 2HD ARG 16 3HD ARG 16 -3.071 -1.638 -11.918 159 HE ARG 16 HE ARG 16 -4.089 -0.103 -10.147 160 1HH1 ARG 16 2HH2 ARG 16 -2.318 1.846 -12.144 161 2HH1 ARG 16 1HH2 ARG 16 -3.622 2.820 -12.735 162 1HH2 ARG 16 2HH1 ARG 16 -6.037 0.751 -11.209 163 2HH2 ARG 16 1HH1 ARG 16 -5.820 2.176 -12.178 164 QB ARG 16 QB ARG 16 -0.140 0.554 -10.700 165 QG ARG 16 QG ARG 16 -1.277 -1.440 -10.480 166 QD ARG 16 QD ARG 16 -2.687 -0.922 -12.249 167 QH1 ARG 16 QH2 ARG 16 -2.970 2.333 -12.440 168 QH2 ARG 16 QH1 ARG 16 -5.929 1.464 -11.693 169 H ALA 17 HN ALA 17 0.454 0.882 -7.771 170 HA ALA 17 HA ALA 17 -0.623 -1.118 -6.072 171 1HB ALA 17 3HB ALA 17 1.741 -0.368 -5.924 172 2HB ALA 17 1HB ALA 17 1.206 1.165 -5.236 173 3HB ALA 17 2HB ALA 17 0.959 -0.336 -4.347 174 QB ALA 17 QB ALA 17 1.302 0.154 -5.169 175 H LYS 18 HN LYS 18 -1.033 2.361 -6.072 176 HA LYS 18 HA LYS 18 -2.570 2.534 -3.645 177 1HB LYS 18 2HB LYS 18 -1.562 4.532 -4.916 178 2HB LYS 18 3HB LYS 18 -2.906 4.380 -6.039 179 1HG LYS 18 2HG LYS 18 -4.381 4.372 -3.838 180 2HG LYS 18 3HG LYS 18 -2.951 5.077 -3.103 181 1HD LYS 18 2HD LYS 18 -4.158 6.981 -3.763 182 2HD LYS 18 3HD LYS 18 -3.025 6.771 -5.090 183 1HE LYS 18 2HE LYS 18 -5.224 7.155 -6.045 184 2HE LYS 18 3HE LYS 18 -4.801 5.473 -6.328 185 1HZ LYS 18 1HZ LYS 18 -6.150 5.690 -3.837 186 2HZ LYS 18 2HZ LYS 18 -7.067 6.460 -5.025 187 3HZ LYS 18 3HZ LYS 18 -6.628 4.845 -5.242 188 QB LYS 18 QB LYS 18 -2.234 4.456 -5.478 189 QG LYS 18 QG LYS 18 -3.666 4.724 -3.470 190 QD LYS 18 QD LYS 18 -3.591 6.876 -4.426 191 QE LYS 18 QE LYS 18 -5.013 6.314 -6.186 192 QZ LYS 18 QZ LYS 18 -6.615 5.665 -4.701 193 H ASP 19 HN ASP 19 -3.618 2.654 -7.079 194 HA ASP 19 HA ASP 19 -6.367 2.439 -6.721 195 1HB ASP 19 2HB ASP 19 -5.586 2.608 -8.956 196 2HB ASP 19 3HB ASP 19 -4.470 1.266 -8.764 197 QB ASP 19 QB ASP 19 -5.028 1.937 -8.860 198 H LEU 20 HN LEU 20 -4.007 -0.157 -6.673 199 HA LEU 20 HA LEU 20 -5.785 -2.328 -6.200 200 1HB LEU 20 2HB LEU 20 -3.425 -2.678 -6.838 201 2HB LEU 20 3HB LEU 20 -2.889 -1.962 -5.330 202 HG LEU 20 HG LEU 20 -3.782 -3.783 -4.027 203 1HD1 LEU 20 2HD1 LEU 20 -4.906 -4.834 -6.652 204 2HD1 LEU 20 3HD1 LEU 20 -4.895 -5.731 -5.135 205 3HD1 LEU 20 1HD1 LEU 20 -5.846 -4.259 -5.276 206 1HD2 LEU 20 3HD2 LEU 20 -2.346 -4.812 -6.506 207 2HD2 LEU 20 1HD2 LEU 20 -1.569 -4.130 -5.083 208 3HD2 LEU 20 2HD2 LEU 20 -2.436 -5.656 -4.963 209 QB LEU 20 QB LEU 20 -3.157 -2.320 -6.084 210 QD1 LEU 20 QD1 LEU 20 -5.215 -4.941 -5.688 211 QD2 LEU 20 QD2 LEU 20 -2.117 -4.866 -5.518 212 QQD LEU 20 QQD LEU 20 -3.666 -4.904 -5.603 213 H ALA 21 HN ALA 21 -3.682 -0.683 -3.844 214 HA ALA 21 HA ALA 21 -4.723 -1.757 -1.481 215 1HB ALA 21 1HB ALA 21 -2.788 -0.190 -1.567 216 2HB ALA 21 2HB ALA 21 -3.887 1.135 -1.945 217 3HB ALA 21 3HB ALA 21 -3.977 0.331 -0.379 218 QB ALA 21 QB ALA 21 -3.551 0.425 -1.297 219 H GLU 22 HN GLU 22 -5.864 0.994 -3.286 220 HA GLU 22 HA GLU 22 -8.059 1.727 -1.620 221 1HB GLU 22 2HB GLU 22 -6.908 3.099 -3.442 222 2HB GLU 22 3HB GLU 22 -7.729 2.098 -4.616 223 1HG GLU 22 2HG GLU 22 -9.863 2.929 -4.054 224 2HG GLU 22 3HG GLU 22 -9.312 3.565 -2.507 225 QB GLU 22 QB GLU 22 -7.319 2.598 -4.029 226 QG GLU 22 QG GLU 22 -9.588 3.247 -3.280 227 H LYS 23 HN LYS 23 -7.787 -0.339 -4.465 228 HA LYS 23 HA LYS 23 -10.557 -0.955 -4.812 229 1HB LYS 23 2HB LYS 23 -8.317 -1.697 -6.210 230 2HB LYS 23 3HB LYS 23 -8.554 -3.140 -5.261 231 1HG LYS 23 2HG LYS 23 -10.261 -3.819 -6.542 232 2HG LYS 23 3HG LYS 23 -11.117 -2.308 -6.307 233 1HD LYS 23 2HD LYS 23 -8.803 -2.412 -8.240 234 2HD LYS 23 3HD LYS 23 -10.361 -3.057 -8.727 235 1HE LYS 23 2HE LYS 23 -10.103 -0.682 -9.390 236 2HE LYS 23 3HE LYS 23 -11.446 -0.910 -8.284 237 1HZ LYS 23 1HZ LYS 23 -9.149 -0.362 -6.767 238 2HZ LYS 23 2HZ LYS 23 -9.214 0.748 -8.032 239 3HZ LYS 23 3HZ LYS 23 -10.536 0.601 -6.967 240 QB LYS 23 QB LYS 23 -8.435 -2.418 -5.735 241 QG LYS 23 QG LYS 23 -10.689 -3.063 -6.425 242 QD LYS 23 QD LYS 23 -9.582 -2.734 -8.483 243 QE LYS 23 QE LYS 23 -10.775 -0.796 -8.837 244 QZ LYS 23 QZ LYS 23 -9.633 0.329 -7.255 245 H LEU 24 HN LEU 24 -7.975 -2.660 -3.180 246 HA LEU 24 HA LEU 24 -9.481 -4.700 -1.940 247 1HB LEU 24 2HB LEU 24 -7.089 -3.207 -0.781 248 2HB LEU 24 3HB LEU 24 -7.670 -4.773 -0.242 249 HG LEU 24 HG LEU 24 -6.754 -4.234 -3.089 250 1HD1 LEU 24 3HD1 LEU 24 -5.246 -5.462 -0.752 251 2HD1 LEU 24 1HD1 LEU 24 -4.659 -5.380 -2.408 252 3HD1 LEU 24 2HD1 LEU 24 -4.896 -3.905 -1.481 253 1HD2 LEU 24 2HD2 LEU 24 -7.278 -6.790 -1.519 254 2HD2 LEU 24 3HD2 LEU 24 -8.273 -6.156 -2.829 255 3HD2 LEU 24 1HD2 LEU 24 -6.645 -6.727 -3.159 256 QB LEU 24 QB LEU 24 -7.379 -3.990 -0.511 257 QD1 LEU 24 QD1 LEU 24 -4.934 -4.916 -1.547 258 QD2 LEU 24 QD2 LEU 24 -7.399 -6.558 -2.502 259 QQD LEU 24 QQD LEU 24 -6.166 -5.737 -2.025 260 H SER 25 HN SER 25 -8.632 -1.473 -0.840 261 HA SER 25 HA SER 25 -9.955 -1.464 1.614 262 1HB SER 25 2HB SER 25 -8.512 0.413 0.603 263 2HB SER 25 3HB SER 25 -9.988 0.939 -0.230 264 HG SER 25 HG SER 25 -10.689 0.363 2.255 265 QB SER 25 QB SER 25 -9.250 0.676 0.187 266 H ASN 26 HN ASN 26 -11.329 -1.328 -1.542 267 HA ASN 26 HA ASN 26 -14.049 -0.776 -0.420 268 1HB ASN 26 2HB ASN 26 -13.099 0.622 -2.333 269 2HB ASN 26 3HB ASN 26 -13.125 -0.829 -3.323 270 1HD2 ASN 26 2HD2 ASN 26 -16.733 -0.767 -3.641 271 2HD2 ASN 26 1HD2 ASN 26 -15.438 -1.867 -3.540 272 QB ASN 26 QB ASN 26 -13.112 -0.104 -2.828 273 QD2 ASN 26 QD2 ASN 26 -16.085 -1.317 -3.591 274 H GLU 27 HN GLU 27 -12.185 -3.334 -0.808 275 HA GLU 27 HA GLU 27 -14.347 -5.163 -1.801 276 1HB GLU 27 2HB GLU 27 -11.326 -5.479 -1.870 277 2HB GLU 27 3HB GLU 27 -12.433 -6.794 -2.215 278 1HG GLU 27 2HG GLU 27 -13.371 -5.599 -4.107 279 2HG GLU 27 3HG GLU 27 -12.463 -4.150 -3.712 280 QB GLU 27 QB GLU 27 -11.879 -6.137 -2.042 281 QG GLU 27 QG GLU 27 -12.917 -4.874 -3.909 282 NH1 ARG 28 NH1 ARG 28 -13.207 -10.645 1.456 283 NH2 ARG 28 NH2 ARG 28 -11.654 -10.748 -0.197 284 H ARG 28 HN ARG 28 -11.973 -4.594 0.716 285 HA ARG 28 HA ARG 28 -13.093 -6.860 2.308 286 1HB ARG 28 2HB ARG 28 -10.397 -5.675 1.982 287 2HB ARG 28 3HB ARG 28 -10.845 -5.961 3.656 288 1HG ARG 28 2HG ARG 28 -9.713 -7.923 2.817 289 2HG ARG 28 3HG ARG 28 -11.396 -8.328 3.086 290 1HD ARG 28 2HD ARG 28 -10.667 -7.373 0.346 291 2HD ARG 28 3HD ARG 28 -10.082 -8.965 0.810 292 HE ARG 28 HE ARG 28 -12.967 -8.164 0.619 293 1HH1 ARG 28 2HH1 ARG 28 -13.746 -10.098 2.094 294 2HH1 ARG 28 1HH1 ARG 28 -13.314 -11.649 1.436 295 1HH2 ARG 28 2HH2 ARG 28 -10.989 -10.290 -0.786 296 2HH2 ARG 28 1HH2 ARG 28 -11.774 -11.748 -0.274 297 QB ARG 28 QB ARG 28 -10.621 -5.818 2.819 298 QG ARG 28 QG ARG 28 -10.555 -8.125 2.952 299 QD ARG 28 QD ARG 28 -10.374 -8.169 0.578 300 QH1 ARG 28 QH1 ARG 28 -13.530 -10.874 1.765 301 QH2 ARG 28 QH2 ARG 28 -11.382 -11.019 -0.530 302 H ASP 29 HN ASP 29 -13.643 -6.465 4.492 303 HA ASP 29 HA ASP 29 -14.657 -3.762 4.973 304 1HB ASP 29 2HB ASP 29 -14.750 -6.155 6.849 305 2HB ASP 29 3HB ASP 29 -15.830 -4.764 6.838 306 QB ASP 29 QB ASP 29 -15.290 -5.459 6.843 307 H ASP 30 HN ASP 30 -11.985 -5.724 6.047 308 HA ASP 30 HA ASP 30 -11.342 -3.794 8.224 309 1HB ASP 30 2HB ASP 30 -9.711 -5.442 8.928 310 2HB ASP 30 3HB ASP 30 -11.171 -6.337 8.520 311 QB ASP 30 QB ASP 30 -10.441 -5.889 8.724 312 H PHE 31 HN PHE 31 -10.999 -3.527 5.093 313 HA PHE 31 HA PHE 31 -8.088 -2.852 5.181 314 1HB PHE 31 2HB PHE 31 -8.929 -4.628 3.572 315 2HB PHE 31 3HB PHE 31 -9.720 -3.334 2.682 316 HD1 PHE 31 1HD PHE 31 -8.030 -1.205 2.255 317 HD2 PHE 31 2HD PHE 31 -6.787 -5.241 2.847 318 HE1 PHE 31 1HE PHE 31 -5.942 -0.734 1.092 319 HE2 PHE 31 2HE PHE 31 -4.670 -4.730 1.736 320 HZ PHE 31 HZ PHE 31 -4.253 -2.487 0.826 321 QB PHE 31 QB PHE 31 -9.325 -3.981 3.127 322 QR PHE 31 QR PHE 31 -6.357 -2.977 1.983 323 H GLN 32 HN GLN 32 -7.457 -0.945 5.120 324 HA GLN 32 HA GLN 32 -8.785 1.184 3.545 325 1HB GLN 32 2HB GLN 32 -8.222 1.324 6.524 326 2HB GLN 32 3HB GLN 32 -8.328 2.779 5.538 327 1HG GLN 32 2HG GLN 32 -10.617 1.995 4.773 328 2HG GLN 32 3HG GLN 32 -10.510 0.702 5.962 329 1HE2 GLN 32 1HE2 GLN 32 -11.827 2.888 8.395 330 2HE2 GLN 32 2HE2 GLN 32 -11.841 1.347 7.682 331 QB GLN 32 QB GLN 32 -8.275 2.051 6.031 332 QG GLN 32 QG GLN 32 -10.563 1.349 5.367 333 QE2 GLN 32 QE2 GLN 32 -11.834 2.117 8.039 334 OH TYR 33 OH TYR 33 -6.337 5.844 -2.117 335 H TYR 33 HN TYR 33 -7.121 2.920 3.069 336 HA TYR 33 HA TYR 33 -4.375 2.092 3.845 337 1HB TYR 33 2HB TYR 33 -3.552 1.879 1.639 338 2HB TYR 33 3HB TYR 33 -5.107 1.062 1.574 339 HD1 TYR 33 HD1 TYR 33 -7.139 2.410 0.730 340 HD2 TYR 33 HD2 TYR 33 -3.127 3.734 0.249 341 HE1 TYR 33 HE1 TYR 33 -7.891 4.099 -0.877 342 HE2 TYR 33 HE2 TYR 33 -3.875 5.434 -1.345 343 HH TYR 33 HH TYR 33 -7.317 5.832 -2.130 344 QB TYR 33 QB TYR 33 -4.329 1.470 1.606 345 QR TYR 33 QR TYR 33 -5.508 3.919 -0.311 346 H GLN 34 HN GLN 34 -2.763 3.597 3.041 347 HA GLN 34 HA GLN 34 -3.645 6.436 2.858 348 1HB GLN 34 2HB GLN 34 -2.127 5.106 5.016 349 2HB GLN 34 3HB GLN 34 -1.281 6.491 4.352 350 1HG GLN 34 2HG GLN 34 -3.291 7.902 4.773 351 2HG GLN 34 3HG GLN 34 -4.095 6.503 5.489 352 1HE2 GLN 34 2HE2 GLN 34 -1.671 8.616 7.821 353 2HE2 GLN 34 1HE2 GLN 34 -2.418 9.206 6.420 354 QB GLN 34 QB GLN 34 -1.704 5.798 4.684 355 QG GLN 34 QG GLN 34 -3.693 7.203 5.131 356 QE2 GLN 34 QE2 GLN 34 -2.044 8.911 7.120 357 OH TYR 35 OH TYR 35 3.648 7.556 -4.296 358 H TYR 35 HN TYR 35 -2.225 7.718 1.641 359 HA TYR 35 HA TYR 35 0.146 6.300 0.479 360 1HB TYR 35 2HB TYR 35 -1.661 6.629 -1.267 361 2HB TYR 35 3HB TYR 35 -1.545 8.368 -0.991 362 HD1 TYR 35 HD1 TYR 35 0.750 9.499 -1.371 363 HD2 TYR 35 HD2 TYR 35 -0.043 5.515 -2.636 364 HE1 TYR 35 HE1 TYR 35 2.791 9.532 -2.731 365 HE2 TYR 35 HE2 TYR 35 1.964 5.571 -4.032 366 HH TYR 35 HH TYR 35 3.882 8.477 -4.518 367 QB TYR 35 QB TYR 35 -1.603 7.499 -1.129 368 QR TYR 35 QR TYR 35 1.365 7.529 -2.692 369 H VAL 36 HN VAL 36 1.951 7.305 1.067 370 HA VAL 36 HA VAL 36 1.755 10.220 1.717 371 HB VAL 36 HB VAL 36 3.810 8.373 2.961 372 1HG1 VAL 36 1HG1 VAL 36 4.039 10.845 3.235 373 2HG1 VAL 36 2HG1 VAL 36 2.422 10.905 3.935 374 3HG1 VAL 36 3HG1 VAL 36 3.712 10.055 4.774 375 1HG2 VAL 36 1HG2 VAL 36 0.984 8.856 3.983 376 2HG2 VAL 36 2HG2 VAL 36 1.623 7.314 3.415 377 3HG2 VAL 36 3HG2 VAL 36 2.264 8.045 4.881 378 QG1 VAL 36 QG1 VAL 36 3.391 10.602 3.981 379 QG2 VAL 36 QG2 VAL 36 1.624 8.072 4.093 380 QQG VAL 36 QQG VAL 36 2.507 9.337 4.037 381 H ASP 37 HN ASP 37 3.236 11.495 0.781 382 HA ASP 37 HA ASP 37 5.069 10.260 -1.219 383 1HB ASP 37 2HB ASP 37 3.794 11.799 -2.414 384 2HB ASP 37 3HB ASP 37 3.569 12.852 -1.034 385 QB ASP 37 QB ASP 37 3.681 12.325 -1.724 386 H ILE 38 HN ILE 38 7.189 10.366 -0.891 387 HA ILE 38 HA ILE 38 8.320 11.078 1.573 388 HB ILE 38 HB ILE 38 10.519 11.011 0.402 389 1HG1 ILE 38 2HG1 ILE 38 10.019 10.152 -2.150 390 2HG1 ILE 38 3HG1 ILE 38 8.749 11.356 -1.965 391 1HG2 ILE 38 2HG2 ILE 38 9.391 8.949 1.140 392 2HG2 ILE 38 3HG2 ILE 38 8.549 8.843 -0.400 393 3HG2 ILE 38 1HG2 ILE 38 10.300 8.665 -0.342 394 1HD1 ILE 38 2HD1 ILE 38 10.451 13.012 -1.216 395 2HD1 ILE 38 3HD1 ILE 38 11.710 11.805 -1.431 396 3HD1 ILE 38 1HD1 ILE 38 10.817 12.408 -2.826 397 QG1 ILE 38 QG1 ILE 38 9.384 10.754 -2.057 398 QG2 ILE 38 QG2 ILE 38 9.414 8.819 0.133 399 QD1 ILE 38 QD1 ILE 38 10.993 12.408 -1.824 400 NH1 ARG 39 NH1 ARG 39 4.641 18.359 -0.240 401 NH2 ARG 39 NH2 ARG 39 3.912 17.480 -2.227 402 H ARG 39 HN ARG 39 7.637 13.095 -1.160 403 HA ARG 39 HA ARG 39 9.276 15.289 -0.112 404 1HB ARG 39 2HB ARG 39 8.952 15.021 -2.535 405 2HB ARG 39 3HB ARG 39 7.234 15.197 -2.374 406 1HG ARG 39 2HG ARG 39 9.290 17.334 -1.720 407 2HG ARG 39 3HG ARG 39 8.314 17.279 -3.175 408 1HD ARG 39 2HD ARG 39 7.499 17.999 -0.389 409 2HD ARG 39 3HD ARG 39 7.076 18.759 -1.912 410 HE ARG 39 HE ARG 39 5.932 16.059 -1.625 411 1HH1 ARG 39 2HH1 ARG 39 5.378 18.421 0.442 412 2HH1 ARG 39 1HH1 ARG 39 3.779 18.832 -0.080 413 1HH2 ARG 39 2HH2 ARG 39 4.104 16.886 -3.010 414 2HH2 ARG 39 1HH2 ARG 39 3.028 17.935 -2.156 415 QB ARG 39 QB ARG 39 8.093 15.109 -2.454 416 QG ARG 39 QG ARG 39 8.802 17.307 -2.447 417 QD ARG 39 QD ARG 39 7.288 18.379 -1.150 418 QH1 ARG 39 QH1 ARG 39 4.579 18.627 0.181 419 QH2 ARG 39 QH2 ARG 39 3.566 17.410 -2.583 420 H ALA 40 HN ALA 40 5.864 14.338 -0.161 421 HA ALA 40 HA ALA 40 4.505 16.518 0.843 422 1HB ALA 40 1HB ALA 40 3.449 14.333 0.445 423 2HB ALA 40 2HB ALA 40 4.247 13.691 1.878 424 3HB ALA 40 3HB ALA 40 3.037 14.958 2.041 425 QB ALA 40 QB ALA 40 3.578 14.327 1.455 426 H GLU 41 HN GLU 41 6.220 14.190 2.839 427 HA GLU 41 HA GLU 41 6.358 16.251 5.013 428 1HB GLU 41 2HB GLU 41 6.468 13.213 5.154 429 2HB GLU 41 3HB GLU 41 6.750 14.270 6.530 430 1HG GLU 41 2HG GLU 41 4.468 15.283 6.145 431 2HG GLU 41 3HG GLU 41 4.193 14.072 4.893 432 QB GLU 41 QB GLU 41 6.609 13.741 5.842 433 QG GLU 41 QG GLU 41 4.331 14.677 5.519 434 H GLY 42 HN GLY 42 8.105 16.330 2.860 435 1HA GLY 42 1HA GLY 42 10.391 15.999 2.207 436 2HA GLY 42 2HA GLY 42 10.520 17.083 3.581 437 QA GLY 42 QA GLY 42 10.455 16.541 2.894 438 H ILE 43 HN ILE 43 10.262 13.634 2.886 439 HA ILE 43 HA ILE 43 11.888 13.034 5.297 440 HB ILE 43 HB ILE 43 10.543 11.138 3.325 441 1HG1 ILE 43 2HG1 ILE 43 9.609 12.197 6.023 442 2HG1 ILE 43 3HG1 ILE 43 8.917 12.603 4.464 443 1HG2 ILE 43 3HG2 ILE 43 11.684 10.681 6.123 444 2HG2 ILE 43 1HG2 ILE 43 10.827 9.475 5.170 445 3HG2 ILE 43 2HG2 ILE 43 12.371 10.078 4.617 446 1HD1 ILE 43 2HD1 ILE 43 8.318 10.211 4.117 447 2HD1 ILE 43 3HD1 ILE 43 8.958 9.833 5.715 448 3HD1 ILE 43 1HD1 ILE 43 7.558 10.878 5.554 449 QG1 ILE 43 QG1 ILE 43 9.263 12.400 5.244 450 QG2 ILE 43 QG2 ILE 43 11.627 10.078 5.303 451 QD1 ILE 43 QD1 ILE 43 8.278 10.307 5.129 452 H THR 44 HN THR 44 13.687 11.481 5.088 453 HA THR 44 HA THR 44 15.218 11.926 2.557 454 HB THR 44 HB THR 44 17.247 11.667 4.079 455 HG1 THR 44 1HG THR 44 16.862 11.060 6.068 456 1HG2 THR 44 2HG2 THR 44 16.176 13.980 3.792 457 2HG2 THR 44 3HG2 THR 44 15.197 13.635 5.213 458 3HG2 THR 44 1HG2 THR 44 16.947 13.754 5.358 459 QG2 THR 44 QG2 THR 44 16.107 13.789 4.788 460 H LYS 45 HN LYS 45 17.069 10.052 2.486 461 HA LYS 45 HA LYS 45 15.514 7.593 2.097 462 1HB LYS 45 2HB LYS 45 18.478 8.222 1.805 463 2HB LYS 45 3HB LYS 45 17.792 6.641 1.460 464 1HG LYS 45 2HG LYS 45 16.583 9.090 0.183 465 2HG LYS 45 3HG LYS 45 18.058 8.406 -0.486 466 1HD LYS 45 2HD LYS 45 16.904 6.183 -0.664 467 2HD LYS 45 3HD LYS 45 15.415 6.936 -0.087 468 1HE LYS 45 2HE LYS 45 15.346 8.417 -2.008 469 2HE LYS 45 3HE LYS 45 16.950 7.909 -2.518 470 1HZ LYS 45 3HZ LYS 45 15.288 5.631 -2.311 471 2HZ LYS 45 1HZ LYS 45 14.512 6.804 -3.267 472 3HZ LYS 45 2HZ LYS 45 16.082 6.265 -3.666 473 QB LYS 45 QB LYS 45 18.135 7.431 1.633 474 QG LYS 45 QG LYS 45 17.321 8.748 -0.152 475 QD LYS 45 QD LYS 45 16.159 6.559 -0.376 476 QE LYS 45 QE LYS 45 16.148 8.163 -2.263 477 QZ LYS 45 QZ LYS 45 15.294 6.234 -3.081 478 H GLU 46 HN GLU 46 18.293 8.431 4.161 479 HA GLU 46 HA GLU 46 18.593 6.122 5.635 480 1HB GLU 46 2HB GLU 46 18.456 8.676 7.219 481 2HB GLU 46 3HB GLU 46 19.651 7.391 7.287 482 1HG GLU 46 2HG GLU 46 20.820 9.157 6.229 483 2HG GLU 46 3HG GLU 46 20.310 8.157 4.873 484 QB GLU 46 QB GLU 46 19.053 8.033 7.253 485 QG GLU 46 QG GLU 46 20.565 8.657 5.551 486 H ASP 47 HN ASP 47 16.243 8.704 6.431 487 HA ASP 47 HA ASP 47 14.984 7.473 8.635 488 1HB ASP 47 2HB ASP 47 14.449 9.774 7.976 489 2HB ASP 47 3HB ASP 47 13.805 9.227 6.437 490 QB ASP 47 QB ASP 47 14.127 9.500 7.206 491 H LEU 48 HN LEU 48 13.901 7.341 5.273 492 HA LEU 48 HA LEU 48 11.838 5.412 5.470 493 1HB LEU 48 2HB LEU 48 13.650 6.499 3.382 494 2HB LEU 48 3HB LEU 48 13.053 4.901 3.005 495 HG LEU 48 HG LEU 48 11.197 7.152 3.836 496 1HD1 LEU 48 2HD1 LEU 48 12.105 6.320 1.054 497 2HD1 LEU 48 3HD1 LEU 48 10.790 7.437 1.384 498 3HD1 LEU 48 1HD1 LEU 48 12.436 7.864 1.831 499 1HD2 LEU 48 3HD2 LEU 48 10.772 4.550 2.290 500 2HD2 LEU 48 1HD2 LEU 48 10.290 4.834 3.959 501 3HD2 LEU 48 2HD2 LEU 48 9.523 5.733 2.659 502 QB LEU 48 QB LEU 48 13.352 5.700 3.194 503 QD1 LEU 48 QD1 LEU 48 11.777 7.207 1.423 504 QD2 LEU 48 QD2 LEU 48 10.195 5.039 2.969 505 QQD LEU 48 QQD LEU 48 10.986 6.123 2.196 506 H GLN 49 HN GLN 49 15.292 4.910 4.874 507 HA GLN 49 HA GLN 49 15.368 2.145 4.508 508 1HB GLN 49 2HB GLN 49 17.345 3.736 4.501 509 2HB GLN 49 3HB GLN 49 17.309 3.707 6.256 510 1HG GLN 49 2HG GLN 49 17.653 1.254 6.235 511 2HG GLN 49 3HG GLN 49 17.679 1.275 4.475 512 1HE2 GLN 49 2HE2 GLN 49 21.154 1.812 4.608 513 2HE2 GLN 49 1HE2 GLN 49 19.870 0.905 3.971 514 QB GLN 49 QB GLN 49 17.327 3.721 5.378 515 QG GLN 49 QG GLN 49 17.666 1.265 5.355 516 QE2 GLN 49 QE2 GLN 49 20.512 1.358 4.290 517 H GLN 50 HN GLN 50 15.579 3.882 7.576 518 HA GLN 50 HA GLN 50 15.534 1.805 9.432 519 1HB GLN 50 2HB GLN 50 15.562 4.448 9.657 520 2HB GLN 50 3HB GLN 50 13.830 4.266 9.828 521 1HG GLN 50 2HG GLN 50 14.542 4.168 12.043 522 2HG GLN 50 3HG GLN 50 14.429 2.460 11.640 523 1HE2 GLN 50 2HE2 GLN 50 17.888 3.714 13.015 524 2HE2 GLN 50 1HE2 GLN 50 16.373 4.396 13.363 525 QB GLN 50 QB GLN 50 14.696 4.357 9.742 526 QG GLN 50 QG GLN 50 14.485 3.314 11.841 527 QE2 GLN 50 QE2 GLN 50 17.131 4.055 13.189 528 H LYS 51 HN LYS 51 12.924 3.053 7.525 529 HA LYS 51 HA LYS 51 10.799 1.652 8.981 530 1HB LYS 51 2HB LYS 51 10.953 3.410 6.559 531 2HB LYS 51 3HB LYS 51 9.569 2.369 6.674 532 1HG LYS 51 2HG LYS 51 8.994 4.479 7.693 533 2HG LYS 51 3HG LYS 51 9.159 3.303 8.996 534 1HD LYS 51 2HD LYS 51 11.284 4.111 9.626 535 2HD LYS 51 3HD LYS 51 11.519 4.933 8.090 536 1HE LYS 51 2HE LYS 51 9.601 6.455 8.702 537 2HE LYS 51 3HE LYS 51 9.623 5.737 10.312 538 1HZ LYS 51 3HZ LYS 51 12.236 6.441 9.456 539 2HZ LYS 51 1HZ LYS 51 11.223 7.789 9.324 540 3HZ LYS 51 2HZ LYS 51 11.389 7.000 10.831 541 QB LYS 51 QB LYS 51 10.261 2.889 6.616 542 QG LYS 51 QG LYS 51 9.076 3.891 8.344 543 QD LYS 51 QD LYS 51 11.402 4.522 8.858 544 QE LYS 51 QE LYS 51 9.612 6.096 9.507 545 QZ LYS 51 QZ LYS 51 11.616 7.077 9.870 546 H ALA 52 HN ALA 52 12.305 1.327 5.832 547 HA ALA 52 HA ALA 52 10.760 -1.014 5.078 548 1HB ALA 52 2HB ALA 52 11.663 0.562 3.454 549 2HB ALA 52 3HB ALA 52 13.304 0.125 3.901 550 3HB ALA 52 1HB ALA 52 12.254 -1.056 3.124 551 QB ALA 52 QB ALA 52 12.407 -0.123 3.493 552 H GLY 53 HN GLY 53 14.119 -0.623 6.141 553 1HA GLY 53 1HA GLY 53 15.157 -2.408 7.497 554 2HA GLY 53 2HA GLY 53 14.197 -3.591 6.600 555 QA GLY 53 QA GLY 53 14.677 -3.000 7.048 556 H LYS 54 HN LYS 54 14.513 -2.575 4.057 557 HA LYS 54 HA LYS 54 17.257 -3.462 3.450 558 1HB LYS 54 2HB LYS 54 16.450 -3.179 1.046 559 2HB LYS 54 3HB LYS 54 15.503 -4.317 1.991 560 1HG LYS 54 2HG LYS 54 13.777 -2.620 2.377 561 2HG LYS 54 3HG LYS 54 14.751 -1.396 1.580 562 1HD LYS 54 2HD LYS 54 13.910 -3.939 0.156 563 2HD LYS 54 3HD LYS 54 12.857 -2.539 0.208 564 1HE LYS 54 2HE LYS 54 15.704 -2.511 -0.874 565 2HE LYS 54 3HE LYS 54 14.259 -2.624 -1.868 566 1HZ LYS 54 1HZ LYS 54 14.016 -0.448 -0.082 567 2HZ LYS 54 2HZ LYS 54 15.516 -0.354 -0.923 568 3HZ LYS 54 3HZ LYS 54 14.055 -0.441 -1.787 569 QB LYS 54 QB LYS 54 15.976 -3.748 1.519 570 QG LYS 54 QG LYS 54 14.264 -2.008 1.978 571 QD LYS 54 QD LYS 54 13.383 -3.239 0.182 572 QE LYS 54 QE LYS 54 14.981 -2.568 -1.371 573 QZ LYS 54 QZ LYS 54 14.529 -0.415 -0.930 574 HA PRO 55 HA PRO 55 18.687 0.794 2.468 575 1HB PRO 55 2HB PRO 55 19.524 0.377 -0.182 576 2HB PRO 55 3HB PRO 55 20.547 0.179 1.245 577 1HG PRO 55 2HG PRO 55 19.116 -1.918 -0.375 578 2HG PRO 55 3HG PRO 55 20.684 -2.023 0.442 579 1HD PRO 55 2HD PRO 55 18.424 -3.174 1.474 580 2HD PRO 55 3HD PRO 55 19.706 -2.526 2.522 581 QB PRO 55 QB PRO 55 20.035 0.278 0.531 582 QG PRO 55 QG PRO 55 19.900 -1.970 0.033 583 QD PRO 55 QD PRO 55 19.065 -2.850 1.998 584 H VAL 56 HN VAL 56 17.906 2.529 0.939 585 HA VAL 56 HA VAL 56 15.427 1.678 -0.468 586 HB VAL 56 HB VAL 56 14.775 4.177 0.164 587 1HG1 VAL 56 3HG1 VAL 56 14.674 1.783 2.040 588 2HG1 VAL 56 1HG1 VAL 56 13.631 3.191 2.165 589 3HG1 VAL 56 2HG1 VAL 56 13.522 2.146 0.757 590 1HG2 VAL 56 1HG2 VAL 56 16.947 4.613 1.305 591 2HG2 VAL 56 2HG2 VAL 56 15.580 4.742 2.409 592 3HG2 VAL 56 3HG2 VAL 56 16.593 3.304 2.428 593 QG1 VAL 56 QG1 VAL 56 13.942 2.373 1.654 594 QG2 VAL 56 QG2 VAL 56 16.374 4.220 2.047 595 QQG VAL 56 QQG VAL 56 15.158 3.297 1.851 596 H GLU 57 HN GLU 57 17.914 1.772 -1.597 597 HA GLU 57 HA GLU 57 19.063 3.747 -2.956 598 1HB GLU 57 2HB GLU 57 18.092 1.811 -4.953 599 2HB GLU 57 3HB GLU 57 19.730 2.125 -4.417 600 1HG GLU 57 2HG GLU 57 19.168 -0.183 -3.863 601 2HG GLU 57 3HG GLU 57 19.286 0.721 -2.363 602 QB GLU 57 QB GLU 57 18.911 1.968 -4.685 603 QG GLU 57 QG GLU 57 19.227 0.269 -3.113 604 H THR 58 HN THR 58 16.104 2.358 -4.306 605 HA THR 58 HA THR 58 15.462 5.030 -5.502 606 HB THR 58 HB THR 58 16.092 3.226 -7.168 607 HG1 THR 58 1HG THR 58 14.651 4.217 -8.357 608 1HG2 THR 58 1HG2 THR 58 15.042 1.271 -5.909 609 2HG2 THR 58 2HG2 THR 58 13.457 1.963 -6.249 610 3HG2 THR 58 3HG2 THR 58 14.476 1.409 -7.569 611 QG2 THR 58 QG2 THR 58 14.325 1.548 -6.576 612 H VAL 59 HN VAL 59 12.869 4.099 -6.352 613 HA VAL 59 HA VAL 59 11.432 3.747 -3.748 614 HB VAL 59 HB VAL 59 9.684 5.334 -4.669 615 1HG1 VAL 59 3HG1 VAL 59 11.430 6.117 -3.079 616 2HG1 VAL 59 1HG1 VAL 59 12.484 6.488 -4.441 617 3HG1 VAL 59 2HG1 VAL 59 10.985 7.382 -4.221 618 1HG2 VAL 59 1HG2 VAL 59 11.819 5.862 -6.772 619 2HG2 VAL 59 2HG2 VAL 59 10.263 5.087 -7.063 620 3HG2 VAL 59 3HG2 VAL 59 10.326 6.777 -6.574 621 QG1 VAL 59 QG1 VAL 59 11.633 6.662 -3.914 622 QG2 VAL 59 QG2 VAL 59 10.803 5.908 -6.803 623 QQG VAL 59 QQG VAL 59 11.218 6.285 -5.358 624 HA PRO 60 HA PRO 60 9.361 3.813 -3.326 625 1HB PRO 60 2HB PRO 60 6.690 3.307 -3.366 626 2HB PRO 60 3HB PRO 60 7.407 4.573 -4.368 627 1HG PRO 60 2HG PRO 60 6.331 1.915 -5.199 628 2HG PRO 60 3HG PRO 60 6.527 3.386 -6.157 629 1HD PRO 60 2HD PRO 60 8.311 1.085 -6.039 630 2HD PRO 60 3HD PRO 60 8.476 2.543 -7.044 631 QB PRO 60 QB PRO 60 7.049 3.940 -3.867 632 QG PRO 60 QG PRO 60 6.429 2.650 -5.678 633 QD PRO 60 QD PRO 60 8.393 1.814 -6.542 634 H GLN 61 HN GLN 61 7.664 2.867 -1.517 635 HA GLN 61 HA GLN 61 7.992 -0.089 -1.291 636 1HB GLN 61 2HB GLN 61 9.108 1.980 0.571 637 2HB GLN 61 3HB GLN 61 8.630 0.406 1.209 638 1HG GLN 61 2HG GLN 61 10.169 -0.754 -0.243 639 2HG GLN 61 3HG GLN 61 10.485 0.699 -1.183 640 1HE2 GLN 61 2HE2 GLN 61 12.056 1.886 2.152 641 2HE2 GLN 61 1HE2 GLN 61 10.449 2.110 1.677 642 QB GLN 61 QB GLN 61 8.869 1.193 0.890 643 QG GLN 61 QG GLN 61 10.327 -0.027 -0.713 644 QE2 GLN 61 QE2 GLN 61 11.253 1.998 1.914 645 H ILE 62 HN ILE 62 6.555 -1.078 0.152 646 HA ILE 62 HA ILE 62 4.259 0.620 1.059 647 HB ILE 62 HB ILE 62 4.140 -2.141 -0.218 648 1HG1 ILE 62 2HG1 ILE 62 2.468 -0.769 -1.717 649 2HG1 ILE 62 3HG1 ILE 62 3.300 0.635 -1.066 650 1HG2 ILE 62 2HG2 ILE 62 1.929 -0.485 1.058 651 2HG2 ILE 62 3HG2 ILE 62 1.667 -1.947 0.118 652 3HG2 ILE 62 1HG2 ILE 62 2.537 -2.031 1.644 653 1HD1 ILE 62 2HD1 ILE 62 4.659 -1.687 -2.459 654 2HD1 ILE 62 3HD1 ILE 62 4.294 -0.132 -3.203 655 3HD1 ILE 62 1HD1 ILE 62 5.443 -0.228 -1.886 656 QG1 ILE 62 QG1 ILE 62 2.884 -0.067 -1.391 657 QG2 ILE 62 QG2 ILE 62 2.044 -1.487 0.940 658 QD1 ILE 62 QD1 ILE 62 4.799 -0.682 -2.516 659 H PHE 63 HN PHE 63 3.387 0.132 2.940 660 HA PHE 63 HA PHE 63 4.650 -2.032 4.582 661 1HB PHE 63 2HB PHE 63 3.938 0.774 5.522 662 2HB PHE 63 3HB PHE 63 4.667 -0.493 6.507 663 HD1 PHE 63 2HD PHE 63 5.247 1.459 3.366 664 HD2 PHE 63 1HD PHE 63 7.022 -0.672 6.589 665 HE1 PHE 63 2HE PHE 63 7.471 2.061 2.530 666 HE2 PHE 63 1HE PHE 63 9.233 -0.066 5.758 667 HZ PHE 63 HZ PHE 63 9.482 1.292 3.729 668 QB PHE 63 QB PHE 63 4.303 0.140 6.015 669 QR PHE 63 QR PHE 63 7.243 0.696 4.561 670 H VAL 64 HN VAL 64 3.324 -2.909 6.194 671 HA VAL 64 HA VAL 64 0.393 -2.346 5.883 672 HB VAL 64 HB VAL 64 1.850 -5.004 6.203 673 1HG1 VAL 64 3HG1 VAL 64 -1.145 -4.471 6.340 674 2HG1 VAL 64 1HG1 VAL 64 -0.389 -6.057 6.312 675 3HG1 VAL 64 2HG1 VAL 64 -0.135 -4.996 7.686 676 1HG2 VAL 64 1HG2 VAL 64 1.587 -4.033 3.899 677 2HG2 VAL 64 2HG2 VAL 64 0.705 -5.542 4.093 678 3HG2 VAL 64 3HG2 VAL 64 -0.155 -4.006 4.137 679 QG1 VAL 64 QG1 VAL 64 -0.556 -5.175 6.779 680 QG2 VAL 64 QG2 VAL 64 0.712 -4.527 4.043 681 QQG VAL 64 QQG VAL 64 0.078 -4.851 5.411 682 H ASP 65 HN ASP 65 -0.485 -1.691 7.745 683 HA ASP 65 HA ASP 65 -0.684 -1.192 10.028 684 1HB ASP 65 2HB ASP 65 -1.103 -3.542 10.326 685 2HB ASP 65 3HB ASP 65 0.589 -3.942 10.105 686 QB ASP 65 QB ASP 65 -0.257 -3.742 10.215 687 H GLN 66 HN GLN 66 2.145 -2.939 10.757 688 HA GLN 66 HA GLN 66 3.781 -0.453 10.759 689 1HB GLN 66 2HB GLN 66 3.737 -2.575 12.932 690 2HB GLN 66 3HB GLN 66 4.704 -1.102 12.946 691 1HG GLN 66 2HG GLN 66 2.586 0.241 12.851 692 2HG GLN 66 3HG GLN 66 1.663 -1.255 12.951 693 1HE2 GLN 66 2HE2 GLN 66 1.938 -1.356 16.446 694 2HE2 GLN 66 1HE2 GLN 66 1.092 -1.826 15.044 695 QB GLN 66 QB GLN 66 4.220 -1.839 12.939 696 QG GLN 66 QG GLN 66 2.125 -0.507 12.901 697 QE2 GLN 66 QE2 GLN 66 1.515 -1.591 15.745 698 H GLN 67 HN GLN 67 3.541 -3.405 9.424 699 HA GLN 67 HA GLN 67 6.397 -4.138 9.579 700 1HB GLN 67 2HB GLN 67 4.232 -5.549 8.005 701 2HB GLN 67 3HB GLN 67 5.694 -6.212 8.679 702 1HG GLN 67 2HG GLN 67 4.636 -6.794 10.576 703 2HG GLN 67 3HG GLN 67 4.093 -5.142 10.832 704 1HE2 GLN 67 2HE2 GLN 67 0.796 -6.147 10.133 705 2HE2 GLN 67 1HE2 GLN 67 1.839 -5.266 11.145 706 QB GLN 67 QB GLN 67 4.963 -5.881 8.342 707 QG GLN 67 QG GLN 67 4.365 -5.968 10.704 708 QE2 GLN 67 QE2 GLN 67 1.317 -5.706 10.639 709 H HIS 68 HN HIS 68 7.399 -4.765 7.453 710 HA HIS 68 HA HIS 68 6.620 -2.818 5.316 711 1HB HIS 68 2HB HIS 68 8.916 -2.585 6.266 712 2HB HIS 68 3HB HIS 68 9.256 -4.235 5.815 713 HD1 HIS 68 HD1 HIS 68 11.087 -3.533 4.232 714 HD2 HIS 68 HD2 HIS 68 7.510 -1.789 3.204 715 HE1 HIS 68 HE1 HIS 68 11.328 -2.747 1.848 716 QB HIS 68 QB HIS 68 9.086 -3.410 6.040 717 H ILE 69 HN ILE 69 6.164 -3.637 3.273 718 HA ILE 69 HA ILE 69 6.039 -6.614 3.101 719 HB ILE 69 HB ILE 69 4.744 -4.522 1.307 720 1HG1 ILE 69 2HG1 ILE 69 3.740 -4.245 3.472 721 2HG1 ILE 69 3HG1 ILE 69 2.625 -5.202 2.511 722 1HG2 ILE 69 2HG2 ILE 69 4.275 -7.507 1.623 723 2HG2 ILE 69 3HG2 ILE 69 3.332 -6.436 0.595 724 3HG2 ILE 69 1HG2 ILE 69 5.032 -6.717 0.246 725 1HD1 ILE 69 1HD1 ILE 69 3.489 -7.270 3.588 726 2HD1 ILE 69 2HD1 ILE 69 4.571 -6.301 4.575 727 3HD1 ILE 69 3HD1 ILE 69 2.833 -6.157 4.770 728 QG1 ILE 69 QG1 ILE 69 3.183 -4.723 2.992 729 QG2 ILE 69 QG2 ILE 69 4.213 -6.887 0.821 730 QD1 ILE 69 QD1 ILE 69 3.631 -6.576 4.311 731 H GLY 70 HN GLY 70 7.070 -3.744 1.390 732 1HA GLY 70 1HA GLY 70 9.478 -4.221 0.428 733 2HA GLY 70 2HA GLY 70 8.611 -5.429 -0.529 734 QA GLY 70 QA GLY 70 9.044 -4.825 -0.051 735 H GLY 71 HN GLY 71 8.461 -4.605 -2.546 736 1HA GLY 71 1HA GLY 71 7.585 -1.746 -2.814 737 2HA GLY 71 2HA GLY 71 8.610 -2.566 -3.987 738 QA GLY 71 QA GLY 71 8.098 -2.156 -3.400 739 OH TYR 72 OH TYR 72 0.567 -3.069 -10.563 740 H TYR 72 HN TYR 72 6.663 -1.594 -5.270 741 HA TYR 72 HA TYR 72 4.076 -2.370 -5.392 742 1HB TYR 72 2HB TYR 72 5.238 -1.106 -7.187 743 2HB TYR 72 3HB TYR 72 5.992 -2.585 -7.752 744 HD1 TYR 72 HD2 TYR 72 2.590 -3.035 -6.552 745 HD2 TYR 72 HD1 TYR 72 4.907 -1.955 -9.968 746 HE1 TYR 72 HE2 TYR 72 0.657 -3.418 -7.982 747 HE2 TYR 72 HE1 TYR 72 2.938 -2.295 -11.383 748 HH TYR 72 HH TYR 72 0.851 -3.491 -11.377 749 QB TYR 72 QB TYR 72 5.615 -1.845 -7.470 750 QR TYR 72 QR TYR 72 2.773 -2.676 -8.971 751 H THR 73 HN THR 73 6.675 -4.416 -6.639 752 HA THR 73 HA THR 73 5.282 -6.695 -7.427 753 HB THR 73 HB THR 73 7.632 -7.762 -6.450 754 HG1 THR 73 1HG THR 73 8.512 -6.073 -5.394 755 1HG2 THR 73 2HG2 THR 73 7.544 -5.674 -8.683 756 2HG2 THR 73 3HG2 THR 73 8.762 -6.931 -8.492 757 3HG2 THR 73 1HG2 THR 73 7.107 -7.366 -8.909 758 QG2 THR 73 QG2 THR 73 7.804 -6.657 -8.695 759 H ASP 74 HN ASP 74 6.985 -6.449 -4.396 760 HA ASP 74 HA ASP 74 5.925 -8.673 -3.079 761 1HB ASP 74 2HB ASP 74 6.706 -6.049 -1.774 762 2HB ASP 74 3HB ASP 74 6.823 -7.665 -1.078 763 QB ASP 74 QB ASP 74 6.765 -6.857 -1.426 764 H PHE 75 HN PHE 75 4.643 -5.375 -3.230 765 HA PHE 75 HA PHE 75 2.517 -5.827 -1.349 766 1HB PHE 75 2HB PHE 75 3.150 -3.536 -2.062 767 2HB PHE 75 3HB PHE 75 2.556 -3.877 -3.685 768 HD1 PHE 75 2HD PHE 75 1.249 -4.426 -0.190 769 HD2 PHE 75 1HD PHE 75 0.442 -2.907 -4.092 770 HE1 PHE 75 2HE PHE 75 -1.034 -3.869 0.499 771 HE2 PHE 75 1HE PHE 75 -1.834 -2.320 -3.383 772 HZ PHE 75 HZ PHE 75 -2.585 -2.816 -1.099 773 QB PHE 75 QB PHE 75 2.853 -3.706 -2.874 774 QR PHE 75 QR PHE 75 -0.294 -3.380 -1.792 775 H ALA 76 HN ALA 76 2.511 -5.965 -4.910 776 HA ALA 76 HA ALA 76 -0.221 -6.738 -5.179 777 1HB ALA 76 1HB ALA 76 1.175 -6.070 -7.112 778 2HB ALA 76 2HB ALA 76 2.135 -7.534 -6.927 779 3HB ALA 76 3HB ALA 76 0.439 -7.643 -7.392 780 QB ALA 76 QB ALA 76 1.250 -7.082 -7.144 781 H ALA 77 HN ALA 77 2.716 -8.708 -4.939 782 HA ALA 77 HA ALA 77 1.347 -11.239 -4.982 783 1HB ALA 77 3HB ALA 77 4.009 -10.526 -3.675 784 2HB ALA 77 1HB ALA 77 3.446 -12.159 -4.023 785 3HB ALA 77 2HB ALA 77 3.801 -11.049 -5.342 786 QB ALA 77 QB ALA 77 3.752 -11.245 -4.347 787 CH2 TRP 78 CH2 TRP 78 -1.306 -7.121 3.923 788 H TRP 78 HN TRP 78 2.738 -9.448 -2.257 789 HA TRP 78 HA TRP 78 1.875 -10.980 -0.101 790 1HB TRP 78 2HB TRP 78 3.187 -8.891 0.119 791 2HB TRP 78 3HB TRP 78 1.780 -7.958 -0.296 792 HD1 TRP 78 HD1 TRP 78 3.254 -9.991 2.638 793 HE1 TRP 78 HE1 TRP 78 2.004 -9.465 4.742 794 HE3 TRP 78 HE3 TRP 78 -0.365 -7.160 0.655 795 HZ2 TRP 78 HZ2 TRP 78 -0.284 -8.085 5.531 796 HZ3 TRP 78 HZ3 TRP 78 -2.117 -6.251 2.154 797 HH2 TRP 78 HH2 TRP 78 -2.077 -6.715 4.560 798 QB TRP 78 QB TRP 78 2.483 -8.424 -0.088 799 H VAL 79 HN VAL 79 0.079 -8.406 -1.743 800 HA VAL 79 HA VAL 79 -2.369 -8.629 -0.388 801 HB VAL 79 HB VAL 79 -1.670 -7.933 -3.258 802 1HG1 VAL 79 3HG1 VAL 79 -4.452 -7.920 -2.026 803 2HG1 VAL 79 1HG1 VAL 79 -4.034 -7.213 -3.579 804 3HG1 VAL 79 2HG1 VAL 79 -3.921 -8.949 -3.348 805 1HG2 VAL 79 2HG2 VAL 79 -2.783 -6.304 -0.948 806 2HG2 VAL 79 3HG2 VAL 79 -1.117 -6.289 -1.507 807 3HG2 VAL 79 1HG2 VAL 79 -2.400 -5.675 -2.545 808 QG1 VAL 79 QG1 VAL 79 -4.136 -8.027 -2.984 809 QG2 VAL 79 QG2 VAL 79 -2.100 -6.089 -1.667 810 QQG VAL 79 QQG VAL 79 -3.118 -7.058 -2.326 811 H LYS 80 HN LYS 80 -1.594 -10.091 -3.522 812 HA LYS 80 HA LYS 80 -3.783 -11.809 -3.721 813 1HB LYS 80 2HB LYS 80 -2.233 -11.451 -5.572 814 2HB LYS 80 3HB LYS 80 -0.933 -12.215 -4.675 815 1HG LYS 80 2HG LYS 80 -1.841 -13.778 -6.333 816 2HG LYS 80 3HG LYS 80 -2.150 -14.374 -4.716 817 1HD LYS 80 2HD LYS 80 -4.485 -13.214 -4.948 818 2HD LYS 80 3HD LYS 80 -4.107 -13.118 -6.663 819 1HE LYS 80 2HE LYS 80 -5.354 -15.160 -6.295 820 2HE LYS 80 3HE LYS 80 -3.685 -15.611 -6.635 821 1HZ LYS 80 1HZ LYS 80 -3.997 -15.168 -3.862 822 2HZ LYS 80 2HZ LYS 80 -5.217 -16.223 -4.380 823 3HZ LYS 80 3HZ LYS 80 -3.580 -16.609 -4.651 824 QB LYS 80 QB LYS 80 -1.583 -11.833 -5.123 825 QG LYS 80 QG LYS 80 -1.995 -14.076 -5.524 826 QD LYS 80 QD LYS 80 -4.296 -13.166 -5.806 827 QE LYS 80 QE LYS 80 -4.520 -15.386 -6.465 828 QZ LYS 80 QZ LYS 80 -4.265 -16.000 -4.298 829 H GLU 81 HN GLU 81 -0.921 -12.390 -1.767 830 HA GLU 81 HA GLU 81 -1.926 -15.146 -1.197 831 1HB GLU 81 2HB GLU 81 0.749 -13.877 -0.524 832 2HB GLU 81 3HB GLU 81 0.342 -15.581 -0.381 833 1HG GLU 81 2HG GLU 81 0.152 -15.837 -2.768 834 2HG GLU 81 3HG GLU 81 0.132 -14.098 -3.030 835 QB GLU 81 QB GLU 81 0.546 -14.729 -0.453 836 QG GLU 81 QG GLU 81 0.142 -14.967 -2.899 837 H ASN 82 HN ASN 82 -2.497 -12.272 0.121 838 HA ASN 82 HA ASN 82 -2.624 -13.422 2.893 839 1HB ASN 82 2HB ASN 82 -1.759 -10.644 2.050 840 2HB ASN 82 3HB ASN 82 -2.351 -10.975 3.672 841 1HD2 ASN 82 2HD2 ASN 82 1.210 -12.607 2.477 842 2HD2 ASN 82 1HD2 ASN 82 0.100 -12.046 1.319 843 QB ASN 82 QB ASN 82 -2.055 -10.809 2.861 844 QD2 ASN 82 QD2 ASN 82 0.655 -12.327 1.898 845 H LEU 83 HN LEU 83 -4.016 -11.298 0.497 846 HA LEU 83 HA LEU 83 -6.485 -11.056 2.164 847 1HB LEU 83 2HB LEU 83 -5.801 -9.497 -0.337 848 2HB LEU 83 3HB LEU 83 -6.991 -9.088 0.890 849 HG LEU 83 HG LEU 83 -3.975 -9.187 1.322 850 1HD1 LEU 83 3HD1 LEU 83 -5.887 -6.839 1.150 851 2HD1 LEU 83 1HD1 LEU 83 -4.169 -6.744 1.534 852 3HD1 LEU 83 2HD1 LEU 83 -4.685 -7.283 -0.059 853 1HD2 LEU 83 1HD2 LEU 83 -6.223 -8.311 3.176 854 2HD2 LEU 83 2HD2 LEU 83 -5.219 -9.744 3.379 855 3HD2 LEU 83 3HD2 LEU 83 -4.507 -8.143 3.516 856 QB LEU 83 QB LEU 83 -6.396 -9.292 0.277 857 QD1 LEU 83 QD1 LEU 83 -4.914 -6.956 0.875 858 QD2 LEU 83 QD2 LEU 83 -5.317 -8.733 3.357 859 QQD LEU 83 QQD LEU 83 -5.115 -7.844 2.116 860 H ASP 84 HN ASP 84 -5.577 -13.333 0.487 861 HA ASP 84 HA ASP 84 -7.421 -13.391 -1.789 862 1HB ASP 84 2HB ASP 84 -5.064 -14.629 -1.351 863 2HB ASP 84 3HB ASP 84 -6.111 -15.873 -0.694 864 QB ASP 84 QB ASP 84 -5.587 -15.251 -1.023 865 H ALA 85 HN ALA 85 -8.971 -12.784 0.257 866 HA ALA 85 HA ALA 85 -10.358 -15.326 0.988 867 1HB ALA 85 2HB ALA 85 -9.204 -14.318 2.958 868 2HB ALA 85 3HB ALA 85 -10.083 -12.815 2.691 869 3HB ALA 85 1HB ALA 85 -10.954 -14.273 3.149 870 QB ALA 85 QB ALA 85 -10.080 -13.802 2.933 Start of MODEL 3 Raw file had 870 H/Q atoms Start of MODEL 3 1 H MET 1 HN MET 1 -7.076 -5.182 7.568 2 HA MET 1 HA MET 1 -6.296 -3.420 9.644 3 1HB MET 1 2HB MET 1 -4.565 -4.744 7.512 4 2HB MET 1 3HB MET 1 -3.964 -4.012 8.987 5 1HG MET 1 2HG MET 1 -5.441 -5.631 10.267 6 2HG MET 1 3HG MET 1 -5.714 -6.466 8.757 7 1HE MET 1 3HE MET 1 -3.745 -6.892 7.213 8 2HE MET 1 1HE MET 1 -2.252 -6.087 7.712 9 3HE MET 1 2HE MET 1 -2.374 -7.849 7.750 10 QB MET 1 QB MET 1 -4.265 -4.378 8.249 11 QG MET 1 QG MET 1 -5.578 -6.049 9.512 12 QE MET 1 QE MET 1 -2.790 -6.943 7.558 13 H GLN 2 HN GLN 2 -4.042 -2.151 8.909 14 HA GLN 2 HA GLN 2 -4.988 -0.090 7.023 15 1HB GLN 2 2HB GLN 2 -3.896 -0.014 9.676 16 2HB GLN 2 3HB GLN 2 -2.724 0.735 8.606 17 1HG GLN 2 2HG GLN 2 -5.638 1.474 8.371 18 2HG GLN 2 3HG GLN 2 -4.641 2.196 9.626 19 1HE2 GLN 2 2HE2 GLN 2 -3.240 4.474 7.375 20 2HE2 GLN 2 1HE2 GLN 2 -3.632 4.073 8.976 21 QB GLN 2 QB GLN 2 -3.310 0.360 9.141 22 QG GLN 2 QG GLN 2 -5.139 1.835 8.999 23 QE2 GLN 2 QE2 GLN 2 -3.436 4.273 8.175 24 H THR 3 HN THR 3 -3.364 0.845 5.589 25 HA THR 3 HA THR 3 -0.899 -0.744 5.198 26 HB THR 3 HB THR 3 -2.743 -0.242 2.824 27 HG1 THR 3 1HG THR 3 -4.024 -1.415 4.176 28 1HG2 THR 3 1HG2 THR 3 -0.816 -2.514 3.524 29 2HG2 THR 3 2HG2 THR 3 -1.643 -2.285 1.984 30 3HG2 THR 3 3HG2 THR 3 -0.381 -1.162 2.476 31 QG2 THR 3 QG2 THR 3 -0.947 -1.987 2.661 32 H VAL 4 HN VAL 4 0.762 0.540 4.182 33 HA VAL 4 HA VAL 4 -0.051 3.379 3.644 34 HB VAL 4 HB VAL 4 2.516 2.578 5.039 35 1HG1 VAL 4 1HG1 VAL 4 1.024 5.219 4.784 36 2HG1 VAL 4 2HG1 VAL 4 2.507 4.975 5.703 37 3HG1 VAL 4 3HG1 VAL 4 2.516 4.789 3.954 38 1HG2 VAL 4 1HG2 VAL 4 0.596 1.887 6.453 39 2HG2 VAL 4 2HG2 VAL 4 1.439 3.260 7.163 40 3HG2 VAL 4 3HG2 VAL 4 -0.086 3.503 6.316 41 QG1 VAL 4 QG1 VAL 4 2.016 4.994 4.814 42 QG2 VAL 4 QG2 VAL 4 0.650 2.883 6.644 43 QQG VAL 4 QQG VAL 4 1.333 3.939 5.729 44 H ILE 5 HN ILE 5 0.568 4.109 1.713 45 HA ILE 5 HA ILE 5 2.828 2.714 0.308 46 HB ILE 5 HB ILE 5 0.517 4.375 -0.813 47 1HG1 ILE 5 2HG1 ILE 5 0.010 2.370 -2.146 48 2HG1 ILE 5 3HG1 ILE 5 1.291 1.500 -1.325 49 1HG2 ILE 5 3HG2 ILE 5 2.860 3.096 -2.285 50 2HG2 ILE 5 1HG2 ILE 5 1.482 3.889 -3.049 51 3HG2 ILE 5 2HG2 ILE 5 2.610 4.824 -2.074 52 1HD1 ILE 5 1HD1 ILE 5 -1.128 2.714 0.069 53 2HD1 ILE 5 2HD1 ILE 5 -0.978 1.013 -0.364 54 3HD1 ILE 5 3HD1 ILE 5 0.105 1.711 0.827 55 QG1 ILE 5 QG1 ILE 5 0.650 1.935 -1.735 56 QG2 ILE 5 QG2 ILE 5 2.317 3.936 -2.469 57 QD1 ILE 5 QD1 ILE 5 -0.667 1.813 0.177 58 H PHE 6 HN PHE 6 4.661 3.892 -0.054 59 HA PHE 6 HA PHE 6 4.529 6.850 0.445 60 1HB PHE 6 2HB PHE 6 6.902 4.943 0.634 61 2HB PHE 6 3HB PHE 6 6.989 6.685 0.876 62 HD1 PHE 6 2HD PHE 6 5.301 3.622 2.195 63 HD2 PHE 6 1HD PHE 6 6.583 7.602 3.041 64 HE1 PHE 6 2HE PHE 6 4.737 3.306 4.563 65 HE2 PHE 6 1HE PHE 6 6.010 7.280 5.399 66 HZ PHE 6 HZ PHE 6 5.106 5.129 6.173 67 QB PHE 6 QB PHE 6 6.945 5.814 0.755 68 QR PHE 6 QR PHE 6 5.658 5.453 3.799 69 H GLY 7 HN GLY 7 4.407 7.826 -1.511 70 1HA GLY 7 1HA GLY 7 6.119 6.714 -3.700 71 2HA GLY 7 2HA GLY 7 4.470 7.218 -4.006 72 QA GLY 7 QA GLY 7 5.295 6.966 -3.853 73 NH1 ARG 8 NH2 ARG 8 11.685 10.650 -5.144 74 NH2 ARG 8 NH1 ARG 8 12.415 10.384 -7.305 75 H ARG 8 HN ARG 8 4.832 8.778 -5.407 76 HA ARG 8 HA ARG 8 6.305 11.221 -4.491 77 1HB ARG 8 2HB ARG 8 7.082 9.463 -6.614 78 2HB ARG 8 3HB ARG 8 6.479 10.931 -7.371 79 1HG ARG 8 2HG ARG 8 8.046 12.308 -6.152 80 2HG ARG 8 3HG ARG 8 8.514 10.959 -5.118 81 1HD ARG 8 2HD ARG 8 9.435 9.756 -7.090 82 2HD ARG 8 3HD ARG 8 8.957 11.094 -8.138 83 HE ARG 8 HE ARG 8 10.630 12.518 -6.945 84 1HH1 ARG 8 2HH2 ARG 8 11.001 11.038 -4.524 85 2HH1 ARG 8 1HH2 ARG 8 12.441 10.116 -4.773 86 1HH2 ARG 8 2HH1 ARG 8 12.271 10.591 -8.274 87 2HH2 ARG 8 1HH1 ARG 8 13.194 9.817 -7.031 88 QB ARG 8 QB ARG 8 6.781 10.197 -6.992 89 QG ARG 8 QG ARG 8 8.280 11.633 -5.635 90 QD ARG 8 QD ARG 8 9.196 10.425 -7.614 91 QH1 ARG 8 QH2 ARG 8 11.721 10.577 -4.649 92 QH2 ARG 8 QH1 ARG 8 12.733 10.204 -7.652 93 H SER 9 HN SER 9 5.774 12.871 -6.643 94 HA SER 9 HA SER 9 2.875 13.312 -6.333 95 1HB SER 9 2HB SER 9 4.935 14.944 -7.887 96 2HB SER 9 3HB SER 9 3.299 15.467 -7.449 97 HG SER 9 HG SER 9 4.674 14.424 -5.327 98 QB SER 9 QB SER 9 4.117 15.206 -7.668 99 H GLY 10 HN GLY 10 2.702 11.139 -7.631 100 1HA GLY 10 1HA GLY 10 1.369 10.568 -9.600 101 2HA GLY 10 2HA GLY 10 2.070 11.946 -10.442 102 QA GLY 10 QA GLY 10 1.719 11.257 -10.021 103 H CYS 11 HN CYS 11 3.379 9.182 -8.674 104 HA CYS 11 HA CYS 11 5.246 8.686 -10.946 105 1HB CYS 11 2HB CYS 11 6.170 9.151 -8.660 106 2HB CYS 11 3HB CYS 11 5.367 7.717 -8.081 107 HG CYS 11 HG CYS 11 7.994 7.781 -9.643 108 QB CYS 11 QB CYS 11 5.769 8.434 -8.371 109 HA PRO 12 HA PRO 12 1.756 6.115 -11.764 110 1HB PRO 12 2HB PRO 12 3.078 4.410 -13.638 111 2HB PRO 12 3HB PRO 12 2.093 5.832 -13.983 112 1HG PRO 12 2HG PRO 12 5.063 5.572 -13.896 113 2HG PRO 12 3HG PRO 12 4.074 6.739 -14.783 114 1HD PRO 12 2HD PRO 12 5.517 7.391 -12.530 115 2HD PRO 12 3HD PRO 12 4.022 8.241 -12.986 116 QB PRO 12 QB PRO 12 2.586 5.121 -13.811 117 QG PRO 12 QG PRO 12 4.569 6.156 -14.339 118 QD PRO 12 QD PRO 12 4.770 7.816 -12.758 119 OH TYR 13 OH TYR 13 8.387 3.815 -14.482 120 H TYR 13 HN TYR 13 4.723 4.779 -10.680 121 HA TYR 13 HA TYR 13 3.866 2.027 -10.436 122 1HB TYR 13 2HB TYR 13 6.031 3.425 -8.843 123 2HB TYR 13 3HB TYR 13 5.932 1.707 -9.229 124 HD1 TYR 13 HD1 TYR 13 5.704 1.244 -11.898 125 HD2 TYR 13 HD2 TYR 13 7.422 4.735 -10.175 126 HE1 TYR 13 HE1 TYR 13 6.840 1.738 -14.013 127 HE2 TYR 13 HE2 TYR 13 8.540 5.229 -12.289 128 HH TYR 13 HH TYR 13 9.040 3.133 -14.651 129 QB TYR 13 QB TYR 13 5.982 2.566 -9.036 130 QR TYR 13 QR TYR 13 7.126 3.237 -12.094 131 H CYS 14 HN CYS 14 3.600 4.830 -8.278 132 HA CYS 14 HA CYS 14 2.782 3.059 -6.043 133 1HB CYS 14 2HB CYS 14 2.179 5.972 -5.944 134 2HB CYS 14 3HB CYS 14 2.734 4.895 -4.688 135 HG CYS 14 HG CYS 14 5.061 5.525 -5.120 136 QB CYS 14 QB CYS 14 2.457 5.433 -5.316 137 H VAL 15 HN VAL 15 1.449 5.070 -8.544 138 HA VAL 15 HA VAL 15 -1.239 5.305 -7.793 139 HB VAL 15 HB VAL 15 -0.250 4.568 -10.585 140 1HG1 VAL 15 3HG1 VAL 15 -2.714 4.413 -10.286 141 2HG1 VAL 15 1HG1 VAL 15 -2.731 6.055 -9.651 142 3HG1 VAL 15 2HG1 VAL 15 -2.286 5.767 -11.329 143 1HG2 VAL 15 2HG2 VAL 15 -0.586 7.289 -9.265 144 2HG2 VAL 15 3HG2 VAL 15 0.952 6.536 -9.662 145 3HG2 VAL 15 1HG2 VAL 15 -0.145 7.017 -10.948 146 QG1 VAL 15 QG1 VAL 15 -2.577 5.412 -10.422 147 QG2 VAL 15 QG2 VAL 15 0.074 6.948 -9.959 148 QQG VAL 15 QQG VAL 15 -1.252 6.180 -10.190 149 NH1 ARG 16 NH2 ARG 16 -3.526 -0.621 -10.538 150 NH2 ARG 16 NH1 ARG 16 -4.641 1.068 -11.549 151 H ARG 16 HN ARG 16 0.272 2.576 -9.507 152 HA ARG 16 HA ARG 16 -2.018 0.918 -9.554 153 1HB ARG 16 2HB ARG 16 0.894 0.106 -9.404 154 2HB ARG 16 3HB ARG 16 -0.408 -1.002 -9.786 155 1HG ARG 16 2HG ARG 16 0.175 1.506 -11.402 156 2HG ARG 16 3HG ARG 16 0.840 -0.068 -11.794 157 1HD ARG 16 2HD ARG 16 -1.118 0.229 -13.168 158 2HD ARG 16 3HD ARG 16 -1.547 -0.950 -11.935 159 HE ARG 16 HE ARG 16 -2.276 1.953 -11.688 160 1HH1 ARG 16 2HH2 ARG 16 -2.659 -1.054 -10.299 161 2HH1 ARG 16 1HH2 ARG 16 -4.398 -1.016 -10.215 162 1HH2 ARG 16 2HH1 ARG 16 -4.626 1.887 -12.119 163 2HH2 ARG 16 1HH1 ARG 16 -5.518 0.713 -11.197 164 QB ARG 16 QB ARG 16 0.243 -0.448 -9.595 165 QG ARG 16 QG ARG 16 0.507 0.719 -11.598 166 QD ARG 16 QD ARG 16 -1.333 -0.360 -12.551 167 QH1 ARG 16 QH2 ARG 16 -3.529 -1.035 -10.257 168 QH2 ARG 16 QH1 ARG 16 -5.072 1.300 -11.658 169 H ALA 17 HN ALA 17 0.593 0.888 -7.130 170 HA ALA 17 HA ALA 17 -0.562 -1.087 -5.456 171 1HB ALA 17 3HB ALA 17 1.683 -0.117 -5.021 172 2HB ALA 17 1HB ALA 17 0.935 1.412 -4.566 173 3HB ALA 17 2HB ALA 17 0.668 -0.030 -3.586 174 QB ALA 17 QB ALA 17 1.096 0.421 -4.391 175 H LYS 18 HN LYS 18 -0.958 2.434 -5.394 176 HA LYS 18 HA LYS 18 -2.889 2.738 -3.409 177 1HB LYS 18 2HB LYS 18 -1.727 4.439 -5.135 178 2HB LYS 18 3HB LYS 18 -3.249 4.266 -5.981 179 1HG LYS 18 2HG LYS 18 -2.866 5.183 -3.102 180 2HG LYS 18 3HG LYS 18 -3.322 6.197 -4.452 181 1HD LYS 18 2HD LYS 18 -4.991 3.920 -3.312 182 2HD LYS 18 3HD LYS 18 -5.276 5.631 -3.061 183 1HE LYS 18 2HE LYS 18 -5.592 5.906 -5.535 184 2HE LYS 18 3HE LYS 18 -5.447 4.160 -5.708 185 1HZ LYS 18 3HZ LYS 18 -7.296 4.713 -3.653 186 2HZ LYS 18 1HZ LYS 18 -7.745 5.594 -5.038 187 3HZ LYS 18 2HZ LYS 18 -7.567 3.927 -5.139 188 QB LYS 18 QB LYS 18 -2.488 4.352 -5.558 189 QG LYS 18 QG LYS 18 -3.094 5.690 -3.777 190 QD LYS 18 QD LYS 18 -5.134 4.776 -3.187 191 QE LYS 18 QE LYS 18 -5.520 5.033 -5.621 192 QZ LYS 18 QZ LYS 18 -7.536 4.744 -4.610 193 H ASP 19 HN ASP 19 -3.595 2.341 -6.896 194 HA ASP 19 HA ASP 19 -6.387 2.031 -6.698 195 1HB ASP 19 2HB ASP 19 -5.415 2.197 -8.886 196 2HB ASP 19 3HB ASP 19 -4.424 0.768 -8.625 197 QB ASP 19 QB ASP 19 -4.919 1.482 -8.756 198 H LEU 20 HN LEU 20 -3.960 -0.563 -6.685 199 HA LEU 20 HA LEU 20 -5.672 -2.751 -6.273 200 1HB LEU 20 2HB LEU 20 -3.340 -3.135 -6.705 201 2HB LEU 20 3HB LEU 20 -2.851 -2.204 -5.301 202 HG LEU 20 HG LEU 20 -3.712 -3.928 -3.787 203 1HD1 LEU 20 2HD1 LEU 20 -4.659 -5.315 -6.329 204 2HD1 LEU 20 3HD1 LEU 20 -4.694 -6.033 -4.723 205 3HD1 LEU 20 1HD1 LEU 20 -5.696 -4.635 -5.077 206 1HD2 LEU 20 2HD2 LEU 20 -1.440 -4.252 -4.740 207 2HD2 LEU 20 3HD2 LEU 20 -2.222 -5.800 -4.439 208 3HD2 LEU 20 1HD2 LEU 20 -2.132 -5.159 -6.078 209 QB LEU 20 QB LEU 20 -3.096 -2.669 -6.003 210 QD1 LEU 20 QD1 LEU 20 -5.017 -5.328 -5.376 211 QD2 LEU 20 QD2 LEU 20 -1.931 -5.070 -5.086 212 QQD LEU 20 QQD LEU 20 -3.474 -5.199 -5.231 213 H ALA 21 HN ALA 21 -3.872 -1.033 -3.744 214 HA ALA 21 HA ALA 21 -5.104 -2.190 -1.498 215 1HB ALA 21 2HB ALA 21 -4.177 0.689 -1.867 216 2HB ALA 21 3HB ALA 21 -4.511 -0.071 -0.313 217 3HB ALA 21 1HB ALA 21 -3.184 -0.652 -1.306 218 QB ALA 21 QB ALA 21 -3.957 -0.011 -1.162 219 H GLU 22 HN GLU 22 -6.043 0.681 -3.304 220 HA GLU 22 HA GLU 22 -8.386 1.386 -1.925 221 1HB GLU 22 2HB GLU 22 -7.352 2.723 -3.727 222 2HB GLU 22 3HB GLU 22 -7.887 1.545 -4.911 223 1HG GLU 22 2HG GLU 22 -10.278 1.955 -3.962 224 2HG GLU 22 3HG GLU 22 -9.587 3.393 -3.229 225 QB GLU 22 QB GLU 22 -7.619 2.134 -4.319 226 QG GLU 22 QG GLU 22 -9.933 2.674 -3.596 227 H LYS 23 HN LYS 23 -7.899 -0.924 -4.516 228 HA LYS 23 HA LYS 23 -10.691 -1.553 -4.840 229 1HB LYS 23 2HB LYS 23 -8.433 -2.151 -6.252 230 2HB LYS 23 3HB LYS 23 -8.655 -3.662 -5.389 231 1HG LYS 23 2HG LYS 23 -9.840 -3.701 -7.556 232 2HG LYS 23 3HG LYS 23 -10.961 -3.839 -6.214 233 1HD LYS 23 2HD LYS 23 -11.686 -2.265 -8.067 234 2HD LYS 23 3HD LYS 23 -11.707 -1.561 -6.467 235 1HE LYS 23 2HE LYS 23 -9.285 -1.271 -8.265 236 2HE LYS 23 3HE LYS 23 -10.655 -0.187 -8.431 237 1HZ LYS 23 1HZ LYS 23 -9.961 -0.324 -5.710 238 2HZ LYS 23 2HZ LYS 23 -8.555 -0.022 -6.621 239 3HZ LYS 23 3HZ LYS 23 -9.892 1.003 -6.765 240 QB LYS 23 QB LYS 23 -8.544 -2.906 -5.820 241 QG LYS 23 QG LYS 23 -10.401 -3.770 -6.885 242 QD LYS 23 QD LYS 23 -11.696 -1.913 -7.267 243 QE LYS 23 QE LYS 23 -9.970 -0.729 -8.348 244 QZ LYS 23 QZ LYS 23 -9.469 0.219 -6.365 245 H LEU 24 HN LEU 24 -8.090 -3.244 -3.111 246 HA LEU 24 HA LEU 24 -9.736 -5.224 -1.914 247 1HB LEU 24 2HB LEU 24 -7.540 -3.702 -0.449 248 2HB LEU 24 3HB LEU 24 -8.063 -5.346 -0.132 249 HG LEU 24 HG LEU 24 -6.731 -4.409 -2.704 250 1HD1 LEU 24 2HD1 LEU 24 -5.273 -4.385 -0.655 251 2HD1 LEU 24 3HD1 LEU 24 -5.634 -6.094 -0.442 252 3HD1 LEU 24 1HD1 LEU 24 -4.765 -5.548 -1.865 253 1HD2 LEU 24 3HD2 LEU 24 -7.411 -7.199 -1.690 254 2HD2 LEU 24 1HD2 LEU 24 -8.230 -6.370 -3.009 255 3HD2 LEU 24 2HD2 LEU 24 -6.540 -6.831 -3.174 256 QB LEU 24 QB LEU 24 -7.802 -4.524 -0.290 257 QD1 LEU 24 QD1 LEU 24 -5.224 -5.342 -0.988 258 QD2 LEU 24 QD2 LEU 24 -7.394 -6.800 -2.624 259 QQD LEU 24 QQD LEU 24 -6.309 -6.071 -1.806 260 H SER 25 HN SER 25 -8.961 -1.931 -0.912 261 HA SER 25 HA SER 25 -10.534 -1.597 1.344 262 1HB SER 25 2HB SER 25 -9.349 0.113 -0.671 263 2HB SER 25 3HB SER 25 -10.930 0.763 -0.246 264 HG SER 25 HG SER 25 -9.686 -0.112 1.974 265 QB SER 25 QB SER 25 -10.139 0.438 -0.459 266 H ASN 26 HN ASN 26 -11.645 -1.251 -2.015 267 HA ASN 26 HA ASN 26 -14.392 -0.752 -1.220 268 1HB ASN 26 2HB ASN 26 -13.498 0.064 -3.357 269 2HB ASN 26 3HB ASN 26 -13.227 -1.586 -3.901 270 1HD2 ASN 26 2HD2 ASN 26 -16.659 -2.166 -4.642 271 2HD2 ASN 26 1HD2 ASN 26 -15.131 -2.881 -4.445 272 QB ASN 26 QB ASN 26 -13.362 -0.761 -3.629 273 QD2 ASN 26 QD2 ASN 26 -15.895 -2.524 -4.543 274 H GLU 27 HN GLU 27 -12.653 -3.657 -2.205 275 HA GLU 27 HA GLU 27 -15.002 -5.311 -2.450 276 1HB GLU 27 2HB GLU 27 -12.186 -6.258 -1.812 277 2HB GLU 27 3HB GLU 27 -13.463 -7.192 -2.554 278 1HG GLU 27 2HG GLU 27 -11.663 -5.154 -3.770 279 2HG GLU 27 3HG GLU 27 -12.289 -6.637 -4.457 280 QB GLU 27 QB GLU 27 -12.824 -6.725 -2.183 281 QG GLU 27 QG GLU 27 -11.976 -5.895 -4.113 282 NH1 ARG 28 NH2 ARG 28 -10.488 -10.213 3.149 283 NH2 ARG 28 NH1 ARG 28 -11.643 -9.132 4.799 284 H ARG 28 HN ARG 28 -12.783 -4.650 0.210 285 HA ARG 28 HA ARG 28 -14.744 -5.971 2.007 286 1HB ARG 28 2HB ARG 28 -12.738 -6.923 3.261 287 2HB ARG 28 3HB ARG 28 -13.109 -7.648 1.714 288 1HG ARG 28 2HG ARG 28 -11.373 -6.157 0.653 289 2HG ARG 28 3HG ARG 28 -10.945 -5.589 2.261 290 1HD ARG 28 2HD ARG 28 -10.848 -8.484 1.329 291 2HD ARG 28 3HD ARG 28 -9.446 -7.437 1.559 292 HE ARG 28 HE ARG 28 -10.171 -7.293 4.009 293 1HH1 ARG 28 2HH2 ARG 28 -9.855 -10.151 2.374 294 2HH1 ARG 28 1HH2 ARG 28 -10.830 -11.105 3.437 295 1HH2 ARG 28 2HH1 ARG 28 -11.864 -8.254 5.242 296 2HH2 ARG 28 1HH1 ARG 28 -12.017 -9.976 5.164 297 QB ARG 28 QB ARG 28 -12.924 -7.285 2.488 298 QG ARG 28 QG ARG 28 -11.159 -5.873 1.457 299 QD ARG 28 QD ARG 28 -10.147 -7.961 1.444 300 QH1 ARG 28 QH2 ARG 28 -10.342 -10.628 2.905 301 QH2 ARG 28 QH1 ARG 28 -11.941 -9.115 5.203 302 H ASP 29 HN ASP 29 -15.476 -4.473 3.297 303 HA ASP 29 HA ASP 29 -14.339 -1.942 3.830 304 1HB ASP 29 2HB ASP 29 -16.412 -3.570 5.324 305 2HB ASP 29 3HB ASP 29 -16.073 -1.876 5.663 306 QB ASP 29 QB ASP 29 -16.242 -2.723 5.494 307 H ASP 30 HN ASP 30 -12.810 -4.563 4.845 308 HA ASP 30 HA ASP 30 -12.205 -3.459 7.563 309 1HB ASP 30 2HB ASP 30 -11.534 -5.674 8.220 310 2HB ASP 30 3HB ASP 30 -13.065 -5.864 7.376 311 QB ASP 30 QB ASP 30 -12.300 -5.769 7.798 312 H PHE 31 HN PHE 31 -11.134 -3.536 4.448 313 HA PHE 31 HA PHE 31 -8.259 -3.464 5.263 314 1HB PHE 31 2HB PHE 31 -8.774 -5.080 3.474 315 2HB PHE 31 3HB PHE 31 -9.481 -3.788 2.499 316 HD1 PHE 31 2HD PHE 31 -6.322 -4.882 4.144 317 HD2 PHE 31 1HD PHE 31 -8.079 -2.311 1.249 318 HE1 PHE 31 2HE PHE 31 -4.078 -4.105 3.475 319 HE2 PHE 31 1HE PHE 31 -5.858 -1.573 0.554 320 HZ PHE 31 HZ PHE 31 -3.853 -2.452 1.666 321 QB PHE 31 QB PHE 31 -9.128 -4.434 2.986 322 QR PHE 31 QR PHE 31 -6.084 -3.218 2.355 323 H GLN 32 HN GLN 32 -7.459 -1.489 5.551 324 HA GLN 32 HA GLN 32 -8.474 0.737 3.829 325 1HB GLN 32 2HB GLN 32 -7.501 0.888 6.715 326 2HB GLN 32 3HB GLN 32 -8.117 2.233 5.765 327 1HG GLN 32 2HG GLN 32 -10.343 1.270 5.695 328 2HG GLN 32 3HG GLN 32 -9.766 -0.258 6.352 329 1HE2 GLN 32 2HE2 GLN 32 -11.118 2.330 8.975 330 2HE2 GLN 32 1HE2 GLN 32 -11.589 2.222 7.347 331 QB GLN 32 QB GLN 32 -7.809 1.561 6.240 332 QG GLN 32 QG GLN 32 -10.054 0.506 6.024 333 QE2 GLN 32 QE2 GLN 32 -11.353 2.276 8.161 334 OH TYR 33 OH TYR 33 -7.381 4.579 -1.863 335 H TYR 33 HN TYR 33 -6.824 2.529 3.672 336 HA TYR 33 HA TYR 33 -4.029 1.834 4.081 337 1HB TYR 33 2HB TYR 33 -3.377 1.673 1.769 338 2HB TYR 33 3HB TYR 33 -4.722 0.560 1.989 339 HD1 TYR 33 HD1 TYR 33 -7.056 1.280 1.223 340 HD2 TYR 33 HD2 TYR 33 -3.573 3.577 0.370 341 HE1 TYR 33 HE1 TYR 33 -8.345 2.646 -0.344 342 HE2 TYR 33 HE2 TYR 33 -4.853 4.935 -1.196 343 HH TYR 33 HH TYR 33 -7.860 5.277 -1.398 344 QB TYR 33 QB TYR 33 -4.050 1.117 1.879 345 QR TYR 33 QR TYR 33 -5.957 3.110 0.013 346 H GLN 34 HN GLN 34 -2.588 3.588 3.170 347 HA GLN 34 HA GLN 34 -3.966 6.178 2.633 348 1HB GLN 34 2HB GLN 34 -2.986 5.566 5.165 349 2HB GLN 34 3HB GLN 34 -1.638 6.426 4.442 350 1HG GLN 34 2HG GLN 34 -4.498 7.453 4.632 351 2HG GLN 34 3HG GLN 34 -3.141 8.008 5.603 352 1HE2 GLN 34 2HE2 GLN 34 -1.713 9.924 2.934 353 2HE2 GLN 34 1HE2 GLN 34 -1.389 9.187 4.431 354 QB GLN 34 QB GLN 34 -2.312 5.996 4.804 355 QG GLN 34 QG GLN 34 -3.820 7.730 5.118 356 QE2 GLN 34 QE2 GLN 34 -1.551 9.556 3.682 357 OH TYR 35 OH TYR 35 2.847 8.546 -4.735 358 H TYR 35 HN TYR 35 -2.601 7.725 1.510 359 HA TYR 35 HA TYR 35 -0.089 6.487 0.427 360 1HB TYR 35 2HB TYR 35 -1.856 6.678 -1.297 361 2HB TYR 35 3HB TYR 35 -2.019 8.396 -0.951 362 HD1 TYR 35 HD2 TYR 35 1.046 6.277 -1.293 363 HD2 TYR 35 HD1 TYR 35 -1.174 9.544 -2.868 364 HE1 TYR 35 HE2 TYR 35 2.819 6.701 -2.908 365 HE2 TYR 35 HE1 TYR 35 0.612 9.951 -4.503 366 HH TYR 35 HH TYR 35 2.900 9.497 -4.925 367 QB TYR 35 QB TYR 35 -1.937 7.537 -1.124 368 QR TYR 35 QR TYR 35 0.826 8.118 -2.893 369 H VAL 36 HN VAL 36 1.723 7.633 0.608 370 HA VAL 36 HA VAL 36 1.531 10.502 1.449 371 HB VAL 36 HB VAL 36 3.861 8.793 2.311 372 1HG1 VAL 36 3HG1 VAL 36 2.368 11.107 3.598 373 2HG1 VAL 36 1HG1 VAL 36 3.801 10.331 4.258 374 3HG1 VAL 36 2HG1 VAL 36 3.909 11.214 2.744 375 1HG2 VAL 36 2HG2 VAL 36 1.200 8.836 3.775 376 2HG2 VAL 36 3HG2 VAL 36 1.923 7.435 2.988 377 3HG2 VAL 36 1HG2 VAL 36 2.703 8.156 4.393 378 QG1 VAL 36 QG1 VAL 36 3.359 10.884 3.533 379 QG2 VAL 36 QG2 VAL 36 1.942 8.142 3.719 380 QQG VAL 36 QQG VAL 36 2.651 9.513 3.626 381 H ASP 37 HN ASP 37 3.446 11.748 0.870 382 HA ASP 37 HA ASP 37 4.806 10.638 -1.564 383 1HB ASP 37 2HB ASP 37 3.296 12.641 -1.991 384 2HB ASP 37 3HB ASP 37 4.325 13.575 -0.913 385 QB ASP 37 QB ASP 37 3.810 13.108 -1.452 386 H ILE 38 HN ILE 38 6.947 10.454 -1.360 387 HA ILE 38 HA ILE 38 8.333 10.578 1.032 388 HB ILE 38 HB ILE 38 10.427 10.782 -0.375 389 1HG1 ILE 38 2HG1 ILE 38 9.653 10.405 -2.940 390 2HG1 ILE 38 3HG1 ILE 38 8.371 11.486 -2.421 391 1HG2 ILE 38 3HG2 ILE 38 9.349 8.625 0.114 392 2HG2 ILE 38 1HG2 ILE 38 8.299 8.818 -1.290 393 3HG2 ILE 38 2HG2 ILE 38 10.037 8.623 -1.505 394 1HD1 ILE 38 2HD1 ILE 38 10.058 13.102 -1.609 395 2HD1 ILE 38 3HD1 ILE 38 11.342 12.024 -2.137 396 3HD1 ILE 38 1HD1 ILE 38 10.274 12.774 -3.321 397 QG1 ILE 38 QG1 ILE 38 9.012 10.945 -2.680 398 QG2 ILE 38 QG2 ILE 38 9.228 8.689 -0.894 399 QD1 ILE 38 QD1 ILE 38 10.558 12.633 -2.356 400 NH1 ARG 39 NH1 ARG 39 4.887 15.985 -2.872 401 NH2 ARG 39 NH2 ARG 39 5.531 17.402 -4.530 402 H ARG 39 HN ARG 39 7.525 13.244 -1.017 403 HA ARG 39 HA ARG 39 9.414 15.129 0.121 404 1HB ARG 39 2HB ARG 39 8.427 15.483 -2.101 405 2HB ARG 39 3HB ARG 39 6.813 15.474 -1.422 406 1HG ARG 39 2HG ARG 39 7.315 17.547 -0.162 407 2HG ARG 39 3HG ARG 39 8.957 17.538 -0.798 408 1HD ARG 39 2HD ARG 39 7.714 19.044 -2.209 409 2HD ARG 39 3HD ARG 39 7.909 17.561 -3.144 410 HE ARG 39 HE ARG 39 5.363 18.425 -1.807 411 1HH1 ARG 39 2HH1 ARG 39 4.834 15.776 -1.899 412 2HH1 ARG 39 1HH1 ARG 39 4.526 15.327 -3.540 413 1HH2 ARG 39 2HH2 ARG 39 5.957 18.265 -4.801 414 2HH2 ARG 39 1HH2 ARG 39 5.171 16.769 -5.233 415 QB ARG 39 QB ARG 39 7.620 15.479 -1.761 416 QG ARG 39 QG ARG 39 8.136 17.543 -0.480 417 QD ARG 39 QD ARG 39 7.811 18.303 -2.676 418 QH1 ARG 39 QH1 ARG 39 4.680 15.551 -2.720 419 QH2 ARG 39 QH2 ARG 39 5.564 17.517 -5.017 420 H ALA 40 HN ALA 40 5.900 14.838 0.429 421 HA ALA 40 HA ALA 40 5.192 16.660 2.326 422 1HB ALA 40 2HB ALA 40 4.404 13.726 2.334 423 2HB ALA 40 3HB ALA 40 3.513 15.009 3.145 424 3HB ALA 40 1HB ALA 40 3.628 14.991 1.388 425 QB ALA 40 QB ALA 40 3.849 14.575 2.289 426 H GLU 41 HN GLU 41 6.641 13.534 3.028 427 HA GLU 41 HA GLU 41 6.946 14.175 5.889 428 1HB GLU 41 2HB GLU 41 7.759 11.770 4.212 429 2HB GLU 41 3HB GLU 41 8.047 11.883 5.944 430 1HG GLU 41 2HG GLU 41 5.637 12.094 6.372 431 2HG GLU 41 3HG GLU 41 5.301 12.093 4.643 432 QB GLU 41 QB GLU 41 7.903 11.826 5.078 433 QG GLU 41 QG GLU 41 5.469 12.094 5.507 434 H GLY 42 HN GLY 42 9.117 13.636 3.110 435 1HA GLY 42 1HA GLY 42 11.117 15.057 2.844 436 2HA GLY 42 2HA GLY 42 11.248 15.131 4.600 437 QA GLY 42 QA GLY 42 11.183 15.094 3.722 438 H ILE 43 HN ILE 43 10.781 12.476 2.352 439 HA ILE 43 HA ILE 43 13.079 11.040 3.588 440 HB ILE 43 HB ILE 43 10.688 9.895 2.090 441 1HG1 ILE 43 2HG1 ILE 43 10.964 9.830 5.096 442 2HG1 ILE 43 3HG1 ILE 43 10.240 11.236 4.336 443 1HG2 ILE 43 1HG2 ILE 43 12.708 8.675 3.997 444 2HG2 ILE 43 2HG2 ILE 43 11.328 7.835 3.315 445 3HG2 ILE 43 3HG2 ILE 43 12.625 8.388 2.260 446 1HD1 ILE 43 3HD1 ILE 43 9.285 8.366 3.949 447 2HD1 ILE 43 1HD1 ILE 43 8.516 9.569 4.972 448 3HD1 ILE 43 2HD1 ILE 43 8.551 9.798 3.231 449 QG1 ILE 43 QG1 ILE 43 10.602 10.533 4.716 450 QG2 ILE 43 QG2 ILE 43 12.220 8.299 3.191 451 QD1 ILE 43 QD1 ILE 43 8.784 9.245 4.050 452 H THR 44 HN THR 44 14.575 9.955 2.229 453 HA THR 44 HA THR 44 14.338 10.674 -0.688 454 HB THR 44 HB THR 44 16.932 10.555 -0.660 455 HG1 THR 44 1HG THR 44 17.830 10.635 1.380 456 1HG2 THR 44 3HG2 THR 44 15.693 12.781 -0.537 457 2HG2 THR 44 1HG2 THR 44 15.694 12.624 1.216 458 3HG2 THR 44 2HG2 THR 44 17.214 12.792 0.349 459 QG2 THR 44 QG2 THR 44 16.200 12.732 0.343 460 H LYS 45 HN LYS 45 16.796 8.682 0.639 461 HA LYS 45 HA LYS 45 15.482 6.206 -0.364 462 1HB LYS 45 2HB LYS 45 16.817 6.832 -2.268 463 2HB LYS 45 3HB LYS 45 18.172 7.315 -1.262 464 1HG LYS 45 2HG LYS 45 18.211 4.798 -0.504 465 2HG LYS 45 3HG LYS 45 17.202 4.524 -1.919 466 1HD LYS 45 2HD LYS 45 18.898 4.935 -3.397 467 2HD LYS 45 3HD LYS 45 19.604 6.207 -2.407 468 1HE LYS 45 2HE LYS 45 19.857 3.215 -1.918 469 2HE LYS 45 3HE LYS 45 21.126 4.285 -2.515 470 1HZ LYS 45 2HZ LYS 45 20.097 5.379 -0.134 471 2HZ LYS 45 3HZ LYS 45 20.464 3.723 0.135 472 3HZ LYS 45 1HZ LYS 45 21.650 4.807 -0.420 473 QB LYS 45 QB LYS 45 17.494 7.073 -1.765 474 QG LYS 45 QG LYS 45 17.707 4.661 -1.211 475 QD LYS 45 QD LYS 45 19.251 5.571 -2.902 476 QE LYS 45 QE LYS 45 20.492 3.750 -2.217 477 QZ LYS 45 QZ LYS 45 20.737 4.636 -0.140 478 H GLU 46 HN GLU 46 18.495 7.484 1.070 479 HA GLU 46 HA GLU 46 19.332 5.264 2.479 480 1HB GLU 46 2HB GLU 46 19.245 7.885 3.977 481 2HB GLU 46 3HB GLU 46 20.532 6.691 3.921 482 1HG GLU 46 2HG GLU 46 19.844 8.812 1.889 483 2HG GLU 46 3HG GLU 46 21.404 8.416 2.591 484 QB GLU 46 QB GLU 46 19.889 7.288 3.949 485 QG GLU 46 QG GLU 46 20.624 8.614 2.240 486 H ASP 47 HN ASP 47 16.875 7.558 3.679 487 HA ASP 47 HA ASP 47 16.346 6.127 6.106 488 1HB ASP 47 2HB ASP 47 15.549 8.467 5.722 489 2HB ASP 47 3HB ASP 47 14.434 7.871 4.506 490 QB ASP 47 QB ASP 47 14.992 8.169 5.114 491 H LEU 48 HN LEU 48 14.547 6.182 3.053 492 HA LEU 48 HA LEU 48 12.569 4.268 3.759 493 1HB LEU 48 2HB LEU 48 13.717 5.363 1.238 494 2HB LEU 48 3HB LEU 48 12.929 3.810 1.064 495 HG LEU 48 HG LEU 48 11.629 6.141 2.500 496 1HD1 LEU 48 3HD1 LEU 48 11.321 5.313 -0.402 497 2HD1 LEU 48 1HD1 LEU 48 10.359 6.539 0.415 498 3HD1 LEU 48 2HD1 LEU 48 12.083 6.797 0.159 499 1HD2 LEU 48 2HD2 LEU 48 10.517 3.601 1.266 500 2HD2 LEU 48 3HD2 LEU 48 10.688 3.910 2.990 501 3HD2 LEU 48 1HD2 LEU 48 9.556 4.860 2.037 502 QB LEU 48 QB LEU 48 13.323 4.586 1.151 503 QD1 LEU 48 QD1 LEU 48 11.254 6.217 0.057 504 QD2 LEU 48 QD2 LEU 48 10.254 4.124 2.098 505 QQD LEU 48 QQD LEU 48 10.754 5.170 1.078 506 H GLN 49 HN GLN 49 15.733 3.822 2.326 507 HA GLN 49 HA GLN 49 15.681 1.016 2.006 508 1HB GLN 49 2HB GLN 49 17.427 2.738 1.241 509 2HB GLN 49 3HB GLN 49 18.073 2.680 2.875 510 1HG GLN 49 2HG GLN 49 18.229 0.120 2.530 511 2HG GLN 49 3HG GLN 49 17.957 0.458 0.821 512 1HE2 GLN 49 2HE2 GLN 49 21.599 0.998 2.293 513 2HE2 GLN 49 1HE2 GLN 49 20.397 0.047 3.025 514 QB GLN 49 QB GLN 49 17.750 2.709 2.058 515 QG GLN 49 QG GLN 49 18.093 0.289 1.675 516 QE2 GLN 49 QE2 GLN 49 20.998 0.523 2.659 517 H GLN 50 HN GLN 50 16.912 3.005 4.680 518 HA GLN 50 HA GLN 50 17.531 0.968 6.523 519 1HB GLN 50 2HB GLN 50 17.983 3.448 6.768 520 2HB GLN 50 3HB GLN 50 16.288 3.675 7.170 521 1HG GLN 50 2HG GLN 50 16.571 2.072 9.082 522 2HG GLN 50 3HG GLN 50 18.295 2.005 8.719 523 1HE2 GLN 50 2HE2 GLN 50 18.854 4.908 10.619 524 2HE2 GLN 50 1HE2 GLN 50 19.421 3.402 10.091 525 QB GLN 50 QB GLN 50 17.135 3.562 6.969 526 QG GLN 50 QG GLN 50 17.433 2.039 8.900 527 QE2 GLN 50 QE2 GLN 50 19.137 4.155 10.355 528 H LYS 51 HN LYS 51 14.529 2.831 6.386 529 HA LYS 51 HA LYS 51 12.993 1.459 8.302 530 1HB LYS 51 2HB LYS 51 12.340 3.007 5.805 531 2HB LYS 51 3HB LYS 51 11.044 2.200 6.655 532 1HG LYS 51 2HG LYS 51 11.672 3.434 8.735 533 2HG LYS 51 3HG LYS 51 12.929 4.272 7.820 534 1HD LYS 51 2HD LYS 51 11.260 5.201 6.288 535 2HD LYS 51 3HD LYS 51 9.985 4.265 7.050 536 1HE LYS 51 2HE LYS 51 9.961 6.621 7.801 537 2HE LYS 51 3HE LYS 51 10.275 5.524 9.141 538 1HZ LYS 51 2HZ LYS 51 12.749 6.140 8.062 539 2HZ LYS 51 3HZ LYS 51 11.901 7.595 8.066 540 3HZ LYS 51 1HZ LYS 51 12.113 6.736 9.522 541 QB LYS 51 QB LYS 51 11.692 2.604 6.230 542 QG LYS 51 QG LYS 51 12.301 3.853 8.277 543 QD LYS 51 QD LYS 51 10.623 4.733 6.669 544 QE LYS 51 QE LYS 51 10.118 6.073 8.471 545 QZ LYS 51 QZ LYS 51 12.254 6.824 8.550 546 H ALA 52 HN ALA 52 13.123 0.985 4.853 547 HA ALA 52 HA ALA 52 11.314 -1.107 4.527 548 1HB ALA 52 1HB ALA 52 13.892 -0.572 3.003 549 2HB ALA 52 2HB ALA 52 12.569 -1.574 2.428 550 3HB ALA 52 3HB ALA 52 12.325 0.151 2.656 551 QB ALA 52 QB ALA 52 12.929 -0.665 2.696 552 H GLY 53 HN GLY 53 14.844 -1.361 4.853 553 1HA GLY 53 1HA GLY 53 15.960 -3.050 6.170 554 2HA GLY 53 2HA GLY 53 14.469 -3.994 6.198 555 QA GLY 53 QA GLY 53 15.214 -3.522 6.184 556 H LYS 54 HN LYS 54 14.195 -3.386 3.262 557 HA LYS 54 HA LYS 54 15.946 -5.593 2.319 558 1HB LYS 54 2HB LYS 54 13.462 -4.420 0.992 559 2HB LYS 54 3HB LYS 54 14.283 -5.907 0.543 560 1HG LYS 54 2HG LYS 54 13.695 -6.948 2.678 561 2HG LYS 54 3HG LYS 54 13.030 -5.442 3.283 562 1HD LYS 54 2HD LYS 54 11.154 -6.766 2.603 563 2HD LYS 54 3HD LYS 54 11.345 -5.532 1.366 564 1HE LYS 54 2HE LYS 54 12.499 -7.119 -0.100 565 2HE LYS 54 3HE LYS 54 12.495 -8.344 1.163 566 1HZ LYS 54 3HZ LYS 54 9.853 -7.398 0.711 567 2HZ LYS 54 1HZ LYS 54 10.532 -7.867 -0.760 568 3HZ LYS 54 2HZ LYS 54 10.478 -8.981 0.525 569 QB LYS 54 QB LYS 54 13.873 -5.163 0.767 570 QG LYS 54 QG LYS 54 13.363 -6.195 2.980 571 QD LYS 54 QD LYS 54 11.249 -6.149 1.984 572 QE LYS 54 QE LYS 54 12.497 -7.732 0.531 573 QZ LYS 54 QZ LYS 54 10.288 -8.082 0.159 574 HA PRO 55 HA PRO 55 18.279 -2.892 -0.168 575 1HB PRO 55 2HB PRO 55 18.330 -4.671 -2.503 576 2HB PRO 55 3HB PRO 55 19.621 -4.332 -1.345 577 1HG PRO 55 2HG PRO 55 18.281 -6.756 -1.507 578 2HG PRO 55 3HG PRO 55 19.100 -6.184 -0.048 579 1HD PRO 55 2HD PRO 55 16.167 -6.218 -0.680 580 2HD PRO 55 3HD PRO 55 16.989 -6.367 0.886 581 QB PRO 55 QB PRO 55 18.976 -4.502 -1.924 582 QG PRO 55 QG PRO 55 18.690 -6.470 -0.777 583 QD PRO 55 QD PRO 55 16.578 -6.293 0.103 584 H VAL 56 HN VAL 56 17.266 -1.067 -0.914 585 HA VAL 56 HA VAL 56 15.749 -1.247 -3.449 586 HB VAL 56 HB VAL 56 14.368 0.640 -2.480 587 1HG1 VAL 56 1HG1 VAL 56 13.573 -1.716 -2.587 588 2HG1 VAL 56 2HG1 VAL 56 14.307 -2.030 -1.021 589 3HG1 VAL 56 3HG1 VAL 56 12.962 -0.906 -1.156 590 1HG2 VAL 56 2HG2 VAL 56 15.963 1.259 -0.696 591 2HG2 VAL 56 3HG2 VAL 56 14.383 0.863 -0.037 592 3HG2 VAL 56 1HG2 VAL 56 15.695 -0.303 0.071 593 QG1 VAL 56 QG1 VAL 56 13.614 -1.551 -1.588 594 QG2 VAL 56 QG2 VAL 56 15.347 0.606 -0.220 595 QQG VAL 56 QQG VAL 56 14.481 -0.472 -0.904 596 H GLU 57 HN GLU 57 15.793 0.734 -4.697 597 HA GLU 57 HA GLU 57 18.040 2.587 -4.059 598 1HB GLU 57 2HB GLU 57 18.695 2.593 -6.474 599 2HB GLU 57 3HB GLU 57 18.987 1.064 -5.673 600 1HG GLU 57 2HG GLU 57 16.803 1.707 -7.664 601 2HG GLU 57 3HG GLU 57 18.102 0.556 -7.834 602 QB GLU 57 QB GLU 57 18.841 1.828 -6.074 603 QG GLU 57 QG GLU 57 17.453 1.131 -7.749 604 H THR 58 HN THR 58 15.189 2.058 -6.076 605 HA THR 58 HA THR 58 14.887 5.038 -6.208 606 HB THR 58 HB THR 58 13.456 3.209 -8.164 607 HG1 THR 58 1HG THR 58 16.102 3.286 -7.665 608 1HG2 THR 58 3HG2 THR 58 15.068 5.788 -8.464 609 2HG2 THR 58 1HG2 THR 58 14.055 5.043 -9.700 610 3HG2 THR 58 2HG2 THR 58 13.317 5.766 -8.271 611 QG2 THR 58 QG2 THR 58 14.147 5.532 -8.812 612 H VAL 59 HN VAL 59 12.140 4.577 -7.264 613 HA VAL 59 HA VAL 59 10.793 3.985 -4.664 614 HB VAL 59 HB VAL 59 9.071 5.664 -5.491 615 1HG1 VAL 59 2HG1 VAL 59 11.940 6.661 -5.307 616 2HG1 VAL 59 3HG1 VAL 59 10.499 7.638 -5.050 617 3HG1 VAL 59 1HG1 VAL 59 10.889 6.332 -3.935 618 1HG2 VAL 59 2HG2 VAL 59 9.588 5.438 -7.918 619 2HG2 VAL 59 3HG2 VAL 59 9.686 7.110 -7.382 620 3HG2 VAL 59 1HG2 VAL 59 11.158 6.187 -7.641 621 QG1 VAL 59 QG1 VAL 59 11.110 6.877 -4.764 622 QG2 VAL 59 QG2 VAL 59 10.144 6.245 -7.647 623 QQG VAL 59 QQG VAL 59 10.627 6.561 -6.205 624 HA PRO 60 HA PRO 60 8.676 4.244 -4.242 625 1HB PRO 60 2HB PRO 60 6.071 3.526 -4.025 626 2HB PRO 60 3HB PRO 60 6.616 4.761 -5.161 627 1HG PRO 60 2HG PRO 60 5.681 1.984 -5.732 628 2HG PRO 60 3HG PRO 60 5.703 3.394 -6.792 629 1HD PRO 60 2HD PRO 60 7.656 1.233 -6.658 630 2HD PRO 60 3HD PRO 60 7.648 2.623 -7.762 631 QB PRO 60 QB PRO 60 6.343 4.144 -4.593 632 QG PRO 60 QG PRO 60 5.692 2.689 -6.262 633 QD PRO 60 QD PRO 60 7.652 1.928 -7.210 634 H GLN 61 HN GLN 61 7.353 3.383 -2.192 635 HA GLN 61 HA GLN 61 8.055 0.517 -1.742 636 1HB GLN 61 2HB GLN 61 8.729 2.756 0.186 637 2HB GLN 61 3HB GLN 61 9.106 1.050 0.381 638 1HG GLN 61 2HG GLN 61 10.195 1.568 -2.110 639 2HG GLN 61 3HG GLN 61 10.462 3.103 -1.288 640 1HE2 GLN 61 2HE2 GLN 61 12.023 -0.210 0.544 641 2HE2 GLN 61 1HE2 GLN 61 10.484 -0.308 -0.182 642 QB GLN 61 QB GLN 61 8.918 1.903 0.283 643 QG GLN 61 QG GLN 61 10.328 2.336 -1.699 644 QE2 GLN 61 QE2 GLN 61 11.254 -0.259 0.181 645 H ILE 62 HN ILE 62 6.773 -0.561 -0.326 646 HA ILE 62 HA ILE 62 4.425 0.928 0.794 647 HB ILE 62 HB ILE 62 4.450 -1.851 -0.437 648 1HG1 ILE 62 2HG1 ILE 62 2.617 -0.654 -1.888 649 2HG1 ILE 62 3HG1 ILE 62 3.389 0.828 -1.345 650 1HG2 ILE 62 1HG2 ILE 62 2.211 -0.292 0.906 651 2HG2 ILE 62 2HG2 ILE 62 1.985 -1.784 0.008 652 3HG2 ILE 62 3HG2 ILE 62 2.929 -1.789 1.490 653 1HD1 ILE 62 2HD1 ILE 62 4.860 -1.458 -2.684 654 2HD1 ILE 62 3HD1 ILE 62 4.287 -0.016 -3.518 655 3HD1 ILE 62 1HD1 ILE 62 5.518 0.119 -2.278 656 QG1 ILE 62 QG1 ILE 62 3.003 0.087 -1.616 657 QG2 ILE 62 QG2 ILE 62 2.375 -1.288 0.801 658 QD1 ILE 62 QD1 ILE 62 4.888 -0.452 -2.826 659 H PHE 63 HN PHE 63 3.649 0.332 2.656 660 HA PHE 63 HA PHE 63 5.060 -1.743 4.301 661 1HB PHE 63 2HB PHE 63 4.215 1.044 5.208 662 2HB PHE 63 3HB PHE 63 4.905 -0.194 6.249 663 HD1 PHE 63 2HD PHE 63 5.694 1.682 3.095 664 HD2 PHE 63 1HD PHE 63 7.231 -0.165 6.611 665 HE1 PHE 63 2HE PHE 63 7.934 2.517 2.547 666 HE2 PHE 63 1HE PHE 63 9.478 0.686 6.072 667 HZ PHE 63 HZ PHE 63 9.836 2.007 4.028 668 QB PHE 63 QB PHE 63 4.560 0.425 5.729 669 QR PHE 63 QR PHE 63 7.584 1.180 4.581 670 H VAL 64 HN VAL 64 3.711 -2.464 6.113 671 HA VAL 64 HA VAL 64 0.786 -2.158 5.565 672 HB VAL 64 HB VAL 64 2.315 -4.453 6.881 673 1HG1 VAL 64 3HG1 VAL 64 -0.619 -4.221 6.097 674 2HG1 VAL 64 1HG1 VAL 64 0.167 -5.692 6.670 675 3HG1 VAL 64 2HG1 VAL 64 0.008 -4.311 7.740 676 1HG2 VAL 64 3HG2 VAL 64 1.017 -4.236 4.138 677 2HG2 VAL 64 1HG2 VAL 64 2.742 -4.287 4.466 678 3HG2 VAL 64 2HG2 VAL 64 1.742 -5.694 4.803 679 QG1 VAL 64 QG1 VAL 64 -0.148 -4.741 6.836 680 QG2 VAL 64 QG2 VAL 64 1.834 -4.739 4.469 681 QQG VAL 64 QQG VAL 64 0.843 -4.740 5.652 682 H ASP 65 HN ASP 65 -0.460 -2.477 7.773 683 HA ASP 65 HA ASP 65 0.317 -0.457 9.539 684 1HB ASP 65 2HB ASP 65 -1.980 -1.483 9.348 685 2HB ASP 65 3HB ASP 65 -1.380 -2.876 10.242 686 QB ASP 65 QB ASP 65 -1.680 -2.180 9.795 687 H GLN 66 HN GLN 66 1.715 -3.468 9.207 688 HA GLN 66 HA GLN 66 2.845 -3.288 11.954 689 1HB GLN 66 2HB GLN 66 2.132 -5.768 10.363 690 2HB GLN 66 3HB GLN 66 3.000 -5.800 11.896 691 1HG GLN 66 2HG GLN 66 1.134 -4.745 13.046 692 2HG GLN 66 3HG GLN 66 0.300 -4.436 11.532 693 1HE2 GLN 66 2HE2 GLN 66 -0.864 -7.649 13.303 694 2HE2 GLN 66 1HE2 GLN 66 -0.437 -6.152 13.981 695 QB GLN 66 QB GLN 66 2.566 -5.784 11.130 696 QG GLN 66 QG GLN 66 0.717 -4.591 12.289 697 QE2 GLN 66 QE2 GLN 66 -0.650 -6.900 13.642 698 H GLN 67 HN GLN 67 3.716 -4.769 8.790 699 HA GLN 67 HA GLN 67 6.571 -4.116 9.468 700 1HB GLN 67 2HB GLN 67 5.251 -6.614 8.701 701 2HB GLN 67 3HB GLN 67 6.557 -6.226 7.593 702 1HG GLN 67 2HG GLN 67 6.972 -6.050 10.572 703 2HG GLN 67 3HG GLN 67 7.091 -7.597 9.744 704 1HE2 GLN 67 2HE2 GLN 67 10.433 -6.872 8.896 705 2HE2 GLN 67 1HE2 GLN 67 9.315 -7.997 9.498 706 QB GLN 67 QB GLN 67 5.904 -6.420 8.147 707 QG GLN 67 QG GLN 67 7.032 -6.823 10.158 708 QE2 GLN 67 QE2 GLN 67 9.874 -7.434 9.197 709 H HIS 68 HN HIS 68 7.985 -4.232 7.427 710 HA HIS 68 HA HIS 68 6.713 -2.497 5.380 711 1HB HIS 68 2HB HIS 68 8.867 -1.703 6.085 712 2HB HIS 68 3HB HIS 68 9.572 -3.294 5.979 713 HD1 HIS 68 HD1 HIS 68 10.818 -3.674 3.989 714 HD2 HIS 68 HD2 HIS 68 8.032 -0.747 3.248 715 HE1 HIS 68 HE1 HIS 68 11.113 -3.008 1.581 716 QB HIS 68 QB HIS 68 9.220 -2.498 6.032 717 H ILE 69 HN ILE 69 6.867 -3.176 3.082 718 HA ILE 69 HA ILE 69 7.024 -6.169 2.905 719 HB ILE 69 HB ILE 69 5.369 -4.285 1.196 720 1HG1 ILE 69 2HG1 ILE 69 4.582 -4.157 3.512 721 2HG1 ILE 69 3HG1 ILE 69 3.435 -5.073 2.548 722 1HG2 ILE 69 3HG2 ILE 69 5.339 -7.307 1.554 723 2HG2 ILE 69 1HG2 ILE 69 4.162 -6.390 0.622 724 3HG2 ILE 69 2HG2 ILE 69 5.841 -6.427 0.117 725 1HD1 ILE 69 3HD1 ILE 69 5.552 -6.295 4.365 726 2HD1 ILE 69 1HD1 ILE 69 3.845 -6.174 4.738 727 3HD1 ILE 69 2HD1 ILE 69 4.383 -7.194 3.414 728 QG1 ILE 69 QG1 ILE 69 4.009 -4.615 3.030 729 QG2 ILE 69 QG2 ILE 69 5.114 -6.708 0.764 730 QD1 ILE 69 QD1 ILE 69 4.593 -6.554 4.172 731 H GLY 70 HN GLY 70 7.478 -3.219 1.021 732 1HA GLY 70 1HA GLY 70 9.930 -3.377 -0.007 733 2HA GLY 70 2HA GLY 70 9.213 -4.717 -0.880 734 QA GLY 70 QA GLY 70 9.571 -4.047 -0.444 735 H GLY 71 HN GLY 71 8.861 -4.022 -2.930 736 1HA GLY 71 1HA GLY 71 7.759 -1.252 -3.303 737 2HA GLY 71 2HA GLY 71 8.702 -2.119 -4.510 738 QA GLY 71 QA GLY 71 8.231 -1.686 -3.907 739 OH TYR 72 OH TYR 72 0.477 -4.762 -10.060 740 H TYR 72 HN TYR 72 6.617 -1.353 -5.713 741 HA TYR 72 HA TYR 72 4.058 -2.319 -5.447 742 1HB TYR 72 2HB TYR 72 4.578 -1.027 -7.407 743 2HB TYR 72 3HB TYR 72 5.707 -2.242 -7.998 744 HD1 TYR 72 HD2 TYR 72 2.122 -1.549 -7.339 745 HD2 TYR 72 HD1 TYR 72 4.886 -4.207 -9.192 746 HE1 TYR 72 HE2 TYR 72 0.274 -2.672 -8.492 747 HE2 TYR 72 HE1 TYR 72 3.030 -5.363 -10.291 748 HH TYR 72 HH TYR 72 0.556 -5.705 -9.876 749 QB TYR 72 QB TYR 72 5.143 -1.634 -7.702 750 QR TYR 72 QR TYR 72 2.578 -3.448 -8.828 751 H THR 73 HN THR 73 6.701 -4.189 -6.912 752 HA THR 73 HA THR 73 5.325 -6.578 -7.433 753 HB THR 73 HB THR 73 7.772 -7.565 -6.878 754 HG1 THR 73 1HG THR 73 8.640 -5.923 -5.692 755 1HG2 THR 73 3HG2 THR 73 6.969 -6.927 -9.231 756 2HG2 THR 73 1HG2 THR 73 7.479 -5.275 -8.895 757 3HG2 THR 73 2HG2 THR 73 8.674 -6.565 -8.957 758 QG2 THR 73 QG2 THR 73 7.707 -6.256 -9.028 759 H ASP 74 HN ASP 74 7.201 -5.810 -4.559 760 HA ASP 74 HA ASP 74 6.554 -8.091 -3.030 761 1HB ASP 74 2HB ASP 74 7.020 -5.279 -1.964 762 2HB ASP 74 3HB ASP 74 7.291 -6.791 -1.106 763 QB ASP 74 QB ASP 74 7.155 -6.035 -1.535 764 H PHE 75 HN PHE 75 5.039 -4.898 -2.948 765 HA PHE 75 HA PHE 75 2.993 -5.506 -1.091 766 1HB PHE 75 2HB PHE 75 3.479 -3.201 -1.883 767 2HB PHE 75 3HB PHE 75 2.841 -3.610 -3.470 768 HD1 PHE 75 2HD PHE 75 1.602 -4.345 0.008 769 HD2 PHE 75 1HD PHE 75 0.782 -2.514 -3.752 770 HE1 PHE 75 2HE PHE 75 -0.655 -3.792 0.768 771 HE2 PHE 75 1HE PHE 75 -1.457 -1.904 -2.958 772 HZ PHE 75 HZ PHE 75 -2.175 -2.541 -0.696 773 QB PHE 75 QB PHE 75 3.160 -3.406 -2.677 774 QR PHE 75 QR PHE 75 0.068 -3.138 -1.483 775 H ALA 76 HN ALA 76 2.813 -5.707 -4.653 776 HA ALA 76 HA ALA 76 0.148 -6.622 -4.836 777 1HB ALA 76 1HB ALA 76 2.529 -7.409 -6.557 778 2HB ALA 76 2HB ALA 76 0.838 -7.608 -7.010 779 3HB ALA 76 3HB ALA 76 1.512 -5.995 -6.806 780 QB ALA 76 QB ALA 76 1.626 -7.004 -6.791 781 H ALA 77 HN ALA 77 3.171 -8.462 -4.571 782 HA ALA 77 HA ALA 77 1.969 -11.047 -4.439 783 1HB ALA 77 3HB ALA 77 4.406 -10.697 -4.750 784 2HB ALA 77 1HB ALA 77 4.528 -10.100 -3.101 785 3HB ALA 77 2HB ALA 77 4.086 -11.782 -3.398 786 QB ALA 77 QB ALA 77 4.340 -10.860 -3.750 787 CH2 TRP 78 CH2 TRP 78 -1.216 -6.495 4.110 788 H TRP 78 HN TRP 78 3.095 -8.977 -1.753 789 HA TRP 78 HA TRP 78 2.209 -10.574 0.398 790 1HB TRP 78 2HB TRP 78 3.479 -8.502 0.748 791 2HB TRP 78 3HB TRP 78 2.122 -7.559 0.213 792 HD1 TRP 78 HD1 TRP 78 3.105 -9.861 3.227 793 HE1 TRP 78 HE1 TRP 78 1.639 -9.316 5.188 794 HE3 TRP 78 HE3 TRP 78 0.161 -6.522 0.994 795 HZ2 TRP 78 HZ2 TRP 78 -0.568 -7.670 5.768 796 HZ3 TRP 78 HZ3 TRP 78 -1.674 -5.463 2.297 797 HH2 TRP 78 HH2 TRP 78 -2.019 -6.028 4.663 798 QB TRP 78 QB TRP 78 2.800 -8.030 0.481 799 H VAL 79 HN VAL 79 0.428 -8.039 -1.285 800 HA VAL 79 HA VAL 79 -2.028 -8.231 0.042 801 HB VAL 79 HB VAL 79 -1.339 -7.674 -2.864 802 1HG1 VAL 79 2HG1 VAL 79 -4.066 -7.520 -1.525 803 2HG1 VAL 79 3HG1 VAL 79 -3.688 -6.851 -3.106 804 3HG1 VAL 79 1HG1 VAL 79 -3.620 -8.584 -2.852 805 1HG2 VAL 79 2HG2 VAL 79 -2.292 -5.914 -0.576 806 2HG2 VAL 79 3HG2 VAL 79 -0.658 -5.985 -1.209 807 3HG2 VAL 79 1HG2 VAL 79 -1.958 -5.355 -2.209 808 QG1 VAL 79 QG1 VAL 79 -3.792 -7.652 -2.495 809 QG2 VAL 79 QG2 VAL 79 -1.636 -5.751 -1.332 810 QQG VAL 79 QQG VAL 79 -2.714 -6.701 -1.913 811 H LYS 80 HN LYS 80 -1.196 -9.825 -3.014 812 HA LYS 80 HA LYS 80 -3.347 -11.546 -3.270 813 1HB LYS 80 2HB LYS 80 -1.216 -11.206 -4.750 814 2HB LYS 80 3HB LYS 80 -0.532 -12.515 -3.809 815 1HG LYS 80 2HG LYS 80 -3.190 -12.755 -5.269 816 2HG LYS 80 3HG LYS 80 -1.659 -13.189 -6.007 817 1HD LYS 80 2HD LYS 80 -1.953 -15.251 -5.111 818 2HD LYS 80 3HD LYS 80 -1.548 -14.516 -3.571 819 1HE LYS 80 2HE LYS 80 -4.147 -13.875 -3.600 820 2HE LYS 80 3HE LYS 80 -4.242 -15.255 -4.674 821 1HZ LYS 80 3HZ LYS 80 -2.639 -16.037 -2.539 822 2HZ LYS 80 1HZ LYS 80 -3.957 -15.203 -1.870 823 3HZ LYS 80 2HZ LYS 80 -4.244 -16.545 -2.872 824 QB LYS 80 QB LYS 80 -0.874 -11.860 -4.280 825 QG LYS 80 QG LYS 80 -2.424 -12.972 -5.638 826 QD LYS 80 QD LYS 80 -1.751 -14.884 -4.341 827 QE LYS 80 QE LYS 80 -4.194 -14.565 -4.137 828 QZ LYS 80 QZ LYS 80 -3.614 -15.928 -2.427 829 H GLU 81 HN GLU 81 -0.377 -12.278 -1.378 830 HA GLU 81 HA GLU 81 -1.775 -14.702 -0.423 831 1HB GLU 81 2HB GLU 81 1.013 -13.750 0.358 832 2HB GLU 81 3HB GLU 81 0.372 -15.376 0.489 833 1HG GLU 81 2HG GLU 81 0.549 -14.031 -2.217 834 2HG GLU 81 3HG GLU 81 1.947 -14.835 -1.522 835 QB GLU 81 QB GLU 81 0.693 -14.563 0.424 836 QG GLU 81 QG GLU 81 1.248 -14.433 -1.869 837 H ASN 82 HN ASN 82 -2.631 -12.004 0.574 838 HA ASN 82 HA ASN 82 -2.573 -12.759 3.455 839 1HB ASN 82 2HB ASN 82 -1.574 -10.143 2.333 840 2HB ASN 82 3HB ASN 82 -2.265 -10.201 3.949 841 1HD2 ASN 82 2HD2 ASN 82 1.310 -12.037 3.221 842 2HD2 ASN 82 1HD2 ASN 82 0.360 -11.451 1.939 843 QB ASN 82 QB ASN 82 -1.919 -10.172 3.141 844 QD2 ASN 82 QD2 ASN 82 0.835 -11.744 2.580 845 H LEU 83 HN LEU 83 -3.966 -10.626 1.004 846 HA LEU 83 HA LEU 83 -6.419 -10.389 2.717 847 1HB LEU 83 2HB LEU 83 -5.545 -8.670 0.370 848 2HB LEU 83 3HB LEU 83 -6.905 -8.355 1.437 849 HG LEU 83 HG LEU 83 -4.085 -8.610 2.530 850 1HD1 LEU 83 2HD1 LEU 83 -4.088 -6.848 0.795 851 2HD1 LEU 83 3HD1 LEU 83 -5.464 -6.076 1.581 852 3HD1 LEU 83 1HD1 LEU 83 -3.910 -6.167 2.403 853 1HD2 LEU 83 1HD2 LEU 83 -5.984 -8.704 4.128 854 2HD2 LEU 83 2HD2 LEU 83 -5.022 -7.249 4.352 855 3HD2 LEU 83 3HD2 LEU 83 -6.574 -7.161 3.518 856 QB LEU 83 QB LEU 83 -6.225 -8.513 0.903 857 QD1 LEU 83 QD1 LEU 83 -4.487 -6.364 1.593 858 QD2 LEU 83 QD2 LEU 83 -5.860 -7.705 4.000 859 QQD LEU 83 QQD LEU 83 -5.174 -7.034 2.796 860 H ASP 84 HN ASP 84 -5.345 -12.240 0.234 861 HA ASP 84 HA ASP 84 -7.839 -12.131 -1.334 862 1HB ASP 84 2HB ASP 84 -5.273 -12.085 -2.177 863 2HB ASP 84 3HB ASP 84 -5.439 -13.806 -2.008 864 QB ASP 84 QB ASP 84 -5.356 -12.946 -2.093 865 H ALA 85 HN ALA 85 -6.773 -14.854 -2.121 866 HA ALA 85 HA ALA 85 -7.774 -16.536 0.125 867 1HB ALA 85 3HB ALA 85 -9.631 -16.250 -1.512 868 2HB ALA 85 1HB ALA 85 -8.574 -16.824 -2.800 869 3HB ALA 85 2HB ALA 85 -9.048 -17.911 -1.495 870 QB ALA 85 QB ALA 85 -9.084 -16.995 -1.936 Start of MODEL 4 Raw file had 870 H/Q atoms Start of MODEL 4 1 H MET 1 HN MET 1 -5.862 -2.469 10.368 2 HA MET 1 HA MET 1 -3.626 -2.979 8.754 3 1HB MET 1 2HB MET 1 -6.586 -2.962 8.062 4 2HB MET 1 3HB MET 1 -5.333 -3.610 7.015 5 1HG MET 1 2HG MET 1 -6.318 -4.643 9.653 6 2HG MET 1 3HG MET 1 -6.059 -5.501 8.159 7 1HE MET 1 2HE MET 1 -3.359 -5.017 7.177 8 2HE MET 1 3HE MET 1 -2.324 -6.174 8.008 9 3HE MET 1 1HE MET 1 -3.913 -6.678 7.432 10 QB MET 1 QB MET 1 -5.959 -3.286 7.539 11 QG MET 1 QG MET 1 -6.189 -5.072 8.906 12 QE MET 1 QE MET 1 -3.199 -5.956 7.539 13 H GLN 2 HN GLN 2 -2.996 -0.529 8.999 14 HA GLN 2 HA GLN 2 -4.185 1.198 7.021 15 1HB GLN 2 2HB GLN 2 -1.712 1.718 8.649 16 2HB GLN 2 3HB GLN 2 -2.811 2.875 7.938 17 1HG GLN 2 2HG GLN 2 -3.231 1.143 10.350 18 2HG GLN 2 3HG GLN 2 -3.463 2.874 10.184 19 1HE2 GLN 2 2HE2 GLN 2 -6.746 2.525 8.750 20 2HE2 GLN 2 1HE2 GLN 2 -5.395 3.549 8.772 21 QB GLN 2 QB GLN 2 -2.262 2.297 8.293 22 QG GLN 2 QG GLN 2 -3.347 2.008 10.267 23 QE2 GLN 2 QE2 GLN 2 -6.070 3.037 8.761 24 H THR 3 HN THR 3 -3.634 0.366 4.953 25 HA THR 3 HA THR 3 -0.841 -0.398 4.414 26 HB THR 3 HB THR 3 -3.301 -0.221 2.623 27 HG1 THR 3 1HG THR 3 -3.532 -2.101 3.562 28 1HG2 THR 3 3HG2 THR 3 -1.089 0.011 1.337 29 2HG2 THR 3 1HG2 THR 3 -0.572 -1.503 2.071 30 3HG2 THR 3 2HG2 THR 3 -1.951 -1.477 0.977 31 QG2 THR 3 QG2 THR 3 -1.204 -0.989 1.462 32 H VAL 4 HN VAL 4 0.669 0.979 3.797 33 HA VAL 4 HA VAL 4 -0.185 3.630 2.698 34 HB VAL 4 HB VAL 4 2.254 3.049 4.407 35 1HG1 VAL 4 1HG1 VAL 4 0.970 5.642 3.497 36 2HG1 VAL 4 2HG1 VAL 4 2.340 5.522 4.594 37 3HG1 VAL 4 3HG1 VAL 4 2.506 4.994 2.924 38 1HG2 VAL 4 2HG2 VAL 4 -0.395 4.326 5.176 39 2HG2 VAL 4 3HG2 VAL 4 0.167 2.748 5.717 40 3HG2 VAL 4 1HG2 VAL 4 1.020 4.206 6.217 41 QG1 VAL 4 QG1 VAL 4 1.938 5.386 3.672 42 QG2 VAL 4 QG2 VAL 4 0.264 3.760 5.703 43 QQG VAL 4 QQG VAL 4 1.101 4.573 4.687 44 H ILE 5 HN ILE 5 0.607 4.185 0.793 45 HA ILE 5 HA ILE 5 2.942 2.654 -0.324 46 HB ILE 5 HB ILE 5 0.708 4.199 -1.712 47 1HG1 ILE 5 2HG1 ILE 5 0.298 2.161 -2.944 48 2HG1 ILE 5 3HG1 ILE 5 1.683 1.381 -2.207 49 1HG2 ILE 5 2HG2 ILE 5 3.274 3.075 -2.901 50 2HG2 ILE 5 3HG2 ILE 5 1.912 3.665 -3.850 51 3HG2 ILE 5 1HG2 ILE 5 2.824 4.773 -2.831 52 1HD1 ILE 5 1HD1 ILE 5 -0.768 2.348 -0.671 53 2HD1 ILE 5 2HD1 ILE 5 -0.491 0.679 -1.165 54 3HD1 ILE 5 3HD1 ILE 5 0.585 1.437 -0.002 55 QG1 ILE 5 QG1 ILE 5 0.991 1.771 -2.575 56 QG2 ILE 5 QG2 ILE 5 2.670 3.838 -3.194 57 QD1 ILE 5 QD1 ILE 5 -0.225 1.488 -0.613 58 H PHE 6 HN PHE 6 4.791 3.785 -0.159 59 HA PHE 6 HA PHE 6 4.674 6.762 0.049 60 1HB PHE 6 2HB PHE 6 6.748 4.680 0.807 61 2HB PHE 6 3HB PHE 6 7.208 6.362 0.604 62 HD1 PHE 6 1HD PHE 6 5.672 8.107 1.902 63 HD2 PHE 6 2HD PHE 6 6.031 3.985 2.941 64 HE1 PHE 6 1HE PHE 6 4.997 8.631 4.196 65 HE2 PHE 6 2HE PHE 6 5.363 4.515 5.247 66 HZ PHE 6 HZ PHE 6 4.838 6.827 5.879 67 QB PHE 6 QB PHE 6 6.978 5.521 0.706 68 QR PHE 6 QR PHE 6 5.516 6.310 3.571 69 H GLY 7 HN GLY 7 4.660 7.543 -1.990 70 1HA GLY 7 1HA GLY 7 6.726 6.459 -3.885 71 2HA GLY 7 2HA GLY 7 5.119 6.916 -4.445 72 QA GLY 7 QA GLY 7 5.923 6.688 -4.165 73 NH1 ARG 8 NH2 ARG 8 9.853 12.883 -2.799 74 NH2 ARG 8 NH1 ARG 8 11.633 13.175 -4.206 75 H ARG 8 HN ARG 8 5.118 8.855 -5.408 76 HA ARG 8 HA ARG 8 6.737 10.994 -4.176 77 1HB ARG 8 2HB ARG 8 8.039 9.907 -6.080 78 2HB ARG 8 3HB ARG 8 6.781 10.443 -7.173 79 1HG ARG 8 2HG ARG 8 8.931 11.910 -6.912 80 2HG ARG 8 3HG ARG 8 7.374 12.724 -6.941 81 1HD ARG 8 2HD ARG 8 7.458 13.266 -4.690 82 2HD ARG 8 3HD ARG 8 8.361 11.813 -4.278 83 HE ARG 8 HE ARG 8 9.764 14.035 -5.681 84 1HH1 ARG 8 2HH2 ARG 8 8.846 12.867 -2.668 85 2HH1 ARG 8 1HH2 ARG 8 10.447 12.657 -2.030 86 1HH2 ARG 8 2HH1 ARG 8 11.974 13.362 -5.127 87 2HH2 ARG 8 1HH1 ARG 8 12.279 12.981 -3.467 88 QB ARG 8 QB ARG 8 7.410 10.175 -6.627 89 QG ARG 8 QG ARG 8 8.153 12.317 -6.926 90 QD ARG 8 QD ARG 8 7.909 12.539 -4.484 91 QH1 ARG 8 QH2 ARG 8 9.647 12.762 -2.349 92 QH2 ARG 8 QH1 ARG 8 12.126 13.172 -4.297 93 H SER 9 HN SER 9 5.678 11.878 -7.159 94 HA SER 9 HA SER 9 3.185 13.075 -6.025 95 1HB SER 9 2HB SER 9 3.625 14.752 -7.982 96 2HB SER 9 3HB SER 9 4.746 14.829 -6.610 97 HG SER 9 HG SER 9 6.260 14.210 -7.925 98 QB SER 9 QB SER 9 4.185 14.790 -7.296 99 H GLY 10 HN GLY 10 4.423 12.665 -9.272 100 1HA GLY 10 1HA GLY 10 1.962 11.095 -9.998 101 2HA GLY 10 2HA GLY 10 2.810 12.170 -11.114 102 QA GLY 10 QA GLY 10 2.386 11.632 -10.556 103 H CYS 11 HN CYS 11 3.550 9.481 -8.945 104 HA CYS 11 HA CYS 11 5.571 8.509 -10.895 105 1HB CYS 11 2HB CYS 11 6.232 8.829 -8.543 106 2HB CYS 11 3HB CYS 11 5.009 7.694 -8.045 107 HG CYS 11 HG CYS 11 7.767 6.981 -9.151 108 QB CYS 11 QB CYS 11 5.621 8.262 -8.294 109 HA PRO 12 HA PRO 12 1.927 6.133 -12.087 110 1HB PRO 12 2HB PRO 12 3.194 4.761 -14.177 111 2HB PRO 12 3HB PRO 12 2.401 6.335 -14.320 112 1HG PRO 12 2HG PRO 12 5.331 5.710 -14.041 113 2HG PRO 12 3HG PRO 12 4.548 6.998 -14.967 114 1HD PRO 12 2HD PRO 12 5.771 7.447 -12.557 115 2HD PRO 12 3HD PRO 12 4.373 8.404 -13.099 116 QB PRO 12 QB PRO 12 2.798 5.548 -14.249 117 QG PRO 12 QG PRO 12 4.939 6.354 -14.504 118 QD PRO 12 QD PRO 12 5.072 7.926 -12.828 119 OH TYR 13 OH TYR 13 7.358 -2.976 -10.461 120 H TYR 13 HN TYR 13 5.070 4.835 -11.289 121 HA TYR 13 HA TYR 13 4.216 2.050 -11.247 122 1HB TYR 13 2HB TYR 13 6.648 3.045 -11.403 123 2HB TYR 13 3HB TYR 13 6.564 3.073 -9.645 124 HD1 TYR 13 HD2 TYR 13 5.755 0.737 -12.475 125 HD2 TYR 13 HD1 TYR 13 7.281 1.127 -8.520 126 HE1 TYR 13 HE2 TYR 13 6.253 -1.659 -12.426 127 HE2 TYR 13 HE1 TYR 13 7.819 -1.262 -8.495 128 HH TYR 13 HH TYR 13 7.503 -3.274 -9.558 129 QB TYR 13 QB TYR 13 6.606 3.059 -10.524 130 QR TYR 13 QR TYR 13 6.777 -0.264 -10.479 131 H CYS 14 HN CYS 14 3.596 4.623 -9.145 132 HA CYS 14 HA CYS 14 3.213 2.792 -6.813 133 1HB CYS 14 2HB CYS 14 2.610 5.727 -6.711 134 2HB CYS 14 3HB CYS 14 3.126 4.657 -5.433 135 HG CYS 14 HG CYS 14 5.045 6.009 -7.456 136 QB CYS 14 QB CYS 14 2.868 5.192 -6.072 137 H VAL 15 HN VAL 15 1.639 5.001 -9.015 138 HA VAL 15 HA VAL 15 -0.955 5.125 -8.115 139 HB VAL 15 HB VAL 15 -0.149 4.514 -10.988 140 1HG1 VAL 15 3HG1 VAL 15 -2.633 5.851 -9.836 141 2HG1 VAL 15 1HG1 VAL 15 -2.269 5.685 -11.552 142 3HG1 VAL 15 2HG1 VAL 15 -2.585 4.256 -10.575 143 1HG2 VAL 15 2HG2 VAL 15 -0.515 7.162 -9.517 144 2HG2 VAL 15 3HG2 VAL 15 1.024 6.489 -10.040 145 3HG2 VAL 15 1HG2 VAL 15 -0.166 6.989 -11.235 146 QG1 VAL 15 QG1 VAL 15 -2.496 5.264 -10.654 147 QG2 VAL 15 QG2 VAL 15 0.114 6.880 -10.264 148 QQG VAL 15 QQG VAL 15 -1.191 6.072 -10.459 149 NH1 ARG 16 NH1 ARG 16 -4.496 -1.069 -10.777 150 NH2 ARG 16 NH2 ARG 16 -3.651 -1.837 -8.831 151 H ARG 16 HN ARG 16 0.582 2.267 -9.571 152 HA ARG 16 HA ARG 16 -1.883 0.731 -9.583 153 1HB ARG 16 2HB ARG 16 1.023 -0.009 -9.837 154 2HB ARG 16 3HB ARG 16 -0.167 -1.263 -9.556 155 1HG ARG 16 2HG ARG 16 -0.209 0.716 -11.847 156 2HG ARG 16 3HG ARG 16 0.224 -0.981 -11.964 157 1HD ARG 16 2HD ARG 16 -2.487 0.258 -11.556 158 2HD ARG 16 3HD ARG 16 -2.014 -1.044 -12.637 159 HE ARG 16 HE ARG 16 -1.755 -2.413 -10.377 160 1HH1 ARG 16 2HH1 ARG 16 -4.366 -0.865 -11.747 161 2HH1 ARG 16 1HH1 ARG 16 -5.397 -0.938 -10.351 162 1HH2 ARG 16 2HH2 ARG 16 -2.883 -2.208 -8.320 163 2HH2 ARG 16 1HH2 ARG 16 -4.541 -1.699 -8.382 164 QB ARG 16 QB ARG 16 0.428 -0.636 -9.697 165 QG ARG 16 QG ARG 16 0.007 -0.132 -11.905 166 QD ARG 16 QD ARG 16 -2.250 -0.393 -12.096 167 QH1 ARG 16 QH1 ARG 16 -4.881 -0.902 -11.049 168 QH2 ARG 16 QH2 ARG 16 -3.712 -1.954 -8.351 169 H ALA 17 HN ALA 17 0.941 0.578 -7.380 170 HA ALA 17 HA ALA 17 -0.121 -1.248 -5.509 171 1HB ALA 17 3HB ALA 17 1.502 1.257 -4.910 172 2HB ALA 17 1HB ALA 17 1.310 -0.118 -3.826 173 3HB ALA 17 2HB ALA 17 2.173 -0.308 -5.347 174 QB ALA 17 QB ALA 17 1.662 0.277 -4.694 175 H LYS 18 HN LYS 18 -0.512 2.203 -5.783 176 HA LYS 18 HA LYS 18 -2.271 2.621 -3.587 177 1HB LYS 18 2HB LYS 18 -1.458 4.616 -4.522 178 2HB LYS 18 3HB LYS 18 -1.737 4.074 -6.170 179 1HG LYS 18 2HG LYS 18 -4.219 4.288 -4.561 180 2HG LYS 18 3HG LYS 18 -3.379 5.816 -4.763 181 1HD LYS 18 2HD LYS 18 -3.471 5.667 -7.156 182 2HD LYS 18 3HD LYS 18 -3.927 3.975 -7.117 183 1HE LYS 18 2HE LYS 18 -5.631 6.251 -6.046 184 2HE LYS 18 3HE LYS 18 -5.863 5.473 -7.608 185 1HZ LYS 18 3HZ LYS 18 -5.734 3.440 -5.721 186 2HZ LYS 18 1HZ LYS 18 -6.739 4.640 -5.057 187 3HZ LYS 18 2HZ LYS 18 -7.118 3.967 -6.578 188 QB LYS 18 QB LYS 18 -1.597 4.345 -5.346 189 QG LYS 18 QG LYS 18 -3.799 5.052 -4.662 190 QD LYS 18 QD LYS 18 -3.699 4.821 -7.136 191 QE LYS 18 QE LYS 18 -5.747 5.862 -6.827 192 QZ LYS 18 QZ LYS 18 -6.531 4.016 -5.785 193 H ASP 19 HN ASP 19 -3.021 1.965 -7.032 194 HA ASP 19 HA ASP 19 -5.857 1.884 -6.658 195 1HB ASP 19 2HB ASP 19 -4.991 1.957 -8.905 196 2HB ASP 19 3HB ASP 19 -4.142 0.439 -8.681 197 QB ASP 19 QB ASP 19 -4.567 1.198 -8.793 198 H LEU 20 HN LEU 20 -3.511 -0.806 -6.566 199 HA LEU 20 HA LEU 20 -5.487 -2.822 -6.065 200 1HB LEU 20 2HB LEU 20 -3.245 -3.538 -6.701 201 2HB LEU 20 3HB LEU 20 -2.550 -2.754 -5.291 202 HG LEU 20 HG LEU 20 -3.746 -4.314 -3.796 203 1HD1 LEU 20 3HD1 LEU 20 -4.787 -5.574 -6.359 204 2HD1 LEU 20 1HD1 LEU 20 -5.018 -6.203 -4.733 205 3HD1 LEU 20 2HD1 LEU 20 -5.762 -4.681 -5.195 206 1HD2 LEU 20 2HD2 LEU 20 -1.529 -4.971 -4.695 207 2HD2 LEU 20 3HD2 LEU 20 -2.553 -6.380 -4.436 208 3HD2 LEU 20 1HD2 LEU 20 -2.317 -5.745 -6.064 209 QB LEU 20 QB LEU 20 -2.898 -3.146 -5.996 210 QD1 LEU 20 QD1 LEU 20 -5.189 -5.486 -5.429 211 QD2 LEU 20 QD2 LEU 20 -2.133 -5.699 -5.065 212 QQD LEU 20 QQD LEU 20 -3.661 -5.592 -5.247 213 H ALA 21 HN ALA 21 -3.316 -1.147 -3.777 214 HA ALA 21 HA ALA 21 -4.438 -2.236 -1.414 215 1HB ALA 21 1HB ALA 21 -2.371 -0.845 -1.460 216 2HB ALA 21 2HB ALA 21 -3.332 0.571 -1.874 217 3HB ALA 21 3HB ALA 21 -3.529 -0.201 -0.306 218 QB ALA 21 QB ALA 21 -3.077 -0.158 -1.213 219 H GLU 22 HN GLU 22 -5.245 0.741 -3.163 220 HA GLU 22 HA GLU 22 -7.453 1.624 -1.716 221 1HB GLU 22 2HB GLU 22 -6.706 2.909 -3.627 222 2HB GLU 22 3HB GLU 22 -7.014 1.571 -4.713 223 1HG GLU 22 2HG GLU 22 -9.441 1.731 -4.276 224 2HG GLU 22 3HG GLU 22 -9.158 3.048 -3.144 225 QB GLU 22 QB GLU 22 -6.860 2.240 -4.170 226 QG GLU 22 QG GLU 22 -9.299 2.390 -3.710 227 H LYS 23 HN LYS 23 -7.418 -0.702 -4.340 228 HA LYS 23 HA LYS 23 -10.148 -1.355 -4.396 229 1HB LYS 23 2HB LYS 23 -7.729 -2.392 -5.476 230 2HB LYS 23 3HB LYS 23 -8.456 -3.736 -4.615 231 1HG LYS 23 2HG LYS 23 -9.497 -3.973 -6.669 232 2HG LYS 23 3HG LYS 23 -10.665 -2.927 -5.876 233 1HD LYS 23 2HD LYS 23 -8.344 -1.862 -7.547 234 2HD LYS 23 3HD LYS 23 -9.928 -2.202 -8.230 235 1HE LYS 23 2HE LYS 23 -10.983 -0.505 -6.919 236 2HE LYS 23 3HE LYS 23 -9.598 -0.361 -5.853 237 1HZ LYS 23 2HZ LYS 23 -8.586 0.192 -8.325 238 2HZ LYS 23 3HZ LYS 23 -10.087 0.991 -8.266 239 3HZ LYS 23 1HZ LYS 23 -8.926 1.308 -7.070 240 QB LYS 23 QB LYS 23 -8.092 -3.064 -5.046 241 QG LYS 23 QG LYS 23 -10.081 -3.450 -6.272 242 QD LYS 23 QD LYS 23 -9.136 -2.032 -7.889 243 QE LYS 23 QE LYS 23 -10.291 -0.433 -6.386 244 QZ LYS 23 QZ LYS 23 -9.200 0.830 -7.887 245 H LEU 24 HN LEU 24 -7.652 -3.155 -2.598 246 HA LEU 24 HA LEU 24 -9.356 -4.741 -1.020 247 1HB LEU 24 2HB LEU 24 -6.878 -3.305 -0.007 248 2HB LEU 24 3HB LEU 24 -7.587 -4.749 0.691 249 HG LEU 24 HG LEU 24 -6.527 -4.595 -2.155 250 1HD1 LEU 24 3HD1 LEU 24 -5.227 -5.639 0.379 251 2HD1 LEU 24 1HD1 LEU 24 -4.574 -5.825 -1.242 252 3HD1 LEU 24 2HD1 LEU 24 -4.717 -4.227 -0.526 253 1HD2 LEU 24 2HD2 LEU 24 -8.204 -6.395 -1.708 254 2HD2 LEU 24 3HD2 LEU 24 -6.605 -7.051 -2.034 255 3HD2 LEU 24 1HD2 LEU 24 -7.202 -6.971 -0.381 256 QB LEU 24 QB LEU 24 -7.233 -4.027 0.342 257 QD1 LEU 24 QD1 LEU 24 -4.839 -5.230 -0.463 258 QD2 LEU 24 QD2 LEU 24 -7.337 -6.806 -1.374 259 QQD LEU 24 QQD LEU 24 -6.088 -6.018 -0.919 260 H SER 25 HN SER 25 -8.114 -1.562 -0.279 261 HA SER 25 HA SER 25 -9.485 -0.901 2.045 262 1HB SER 25 2HB SER 25 -7.658 0.416 0.886 263 2HB SER 25 3HB SER 25 -8.894 1.018 -0.220 264 HG SER 25 HG SER 25 -10.082 1.548 1.837 265 QB SER 25 QB SER 25 -8.276 0.717 0.333 266 H ASN 26 HN ASN 26 -10.651 -0.811 -1.210 267 HA ASN 26 HA ASN 26 -13.318 0.272 -0.360 268 1HB ASN 26 2HB ASN 26 -12.061 1.634 -2.013 269 2HB ASN 26 3HB ASN 26 -11.832 0.226 -3.019 270 1HD2 ASN 26 2HD2 ASN 26 -15.726 1.454 -2.936 271 2HD2 ASN 26 1HD2 ASN 26 -14.933 1.176 -1.462 272 QB ASN 26 QB ASN 26 -11.947 0.930 -2.516 273 QD2 ASN 26 QD2 ASN 26 -15.330 1.315 -2.199 274 H GLU 27 HN GLU 27 -12.193 -2.502 -0.271 275 HA GLU 27 HA GLU 27 -14.296 -3.875 -1.907 276 1HB GLU 27 2HB GLU 27 -12.232 -4.144 -3.058 277 2HB GLU 27 3HB GLU 27 -11.346 -4.354 -1.570 278 1HG GLU 27 2HG GLU 27 -12.701 -6.565 -1.305 279 2HG GLU 27 3HG GLU 27 -13.047 -6.359 -3.019 280 QB GLU 27 QB GLU 27 -11.789 -4.249 -2.314 281 QG GLU 27 QG GLU 27 -12.874 -6.462 -2.162 282 NH1 ARG 28 NH1 ARG 28 -11.671 -9.905 3.357 283 NH2 ARG 28 NH2 ARG 28 -10.212 -10.663 1.809 284 H ARG 28 HN ARG 28 -12.004 -4.226 0.759 285 HA ARG 28 HA ARG 28 -13.864 -6.183 2.047 286 1HB ARG 28 2HB ARG 28 -10.931 -5.827 2.686 287 2HB ARG 28 3HB ARG 28 -11.966 -7.204 3.005 288 1HG ARG 28 2HG ARG 28 -12.106 -7.730 0.620 289 2HG ARG 28 3HG ARG 28 -11.161 -6.297 0.224 290 1HD ARG 28 2HD ARG 28 -9.915 -8.579 0.393 291 2HD ARG 28 3HD ARG 28 -9.190 -7.180 1.191 292 HE ARG 28 HE ARG 28 -9.860 -8.066 3.343 293 1HH1 ARG 28 2HH1 ARG 28 -11.999 -9.151 3.942 294 2HH1 ARG 28 1HH1 ARG 28 -12.107 -10.810 3.398 295 1HH2 ARG 28 2HH2 ARG 28 -9.399 -10.523 1.236 296 2HH2 ARG 28 1HH2 ARG 28 -10.683 -11.551 1.799 297 QB ARG 28 QB ARG 28 -11.449 -6.515 2.846 298 QG ARG 28 QG ARG 28 -11.633 -7.014 0.422 299 QD ARG 28 QD ARG 28 -9.552 -7.879 0.792 300 QH1 ARG 28 QH1 ARG 28 -12.053 -9.980 3.670 301 QH2 ARG 28 QH2 ARG 28 -10.041 -11.037 1.518 302 H ASP 29 HN ASP 29 -14.672 -5.624 4.058 303 HA ASP 29 HA ASP 29 -13.977 -2.948 5.047 304 1HB ASP 29 2HB ASP 29 -16.007 -5.028 5.861 305 2HB ASP 29 3HB ASP 29 -15.708 -3.609 6.863 306 QB ASP 29 QB ASP 29 -15.858 -4.318 6.362 307 H ASP 30 HN ASP 30 -11.938 -4.890 5.075 308 HA ASP 30 HA ASP 30 -11.195 -4.801 7.963 309 1HB ASP 30 2HB ASP 30 -9.827 -6.900 7.486 310 2HB ASP 30 3HB ASP 30 -11.566 -7.146 7.471 311 QB ASP 30 QB ASP 30 -10.696 -7.023 7.479 312 H PHE 31 HN PHE 31 -10.660 -3.704 4.901 313 HA PHE 31 HA PHE 31 -7.776 -3.171 5.486 314 1HB PHE 31 2HB PHE 31 -8.300 -4.925 3.716 315 2HB PHE 31 3HB PHE 31 -9.010 -3.640 2.761 316 HD1 PHE 31 1HD PHE 31 -7.505 -1.609 2.199 317 HD2 PHE 31 2HD PHE 31 -5.959 -5.287 3.678 318 HE1 PHE 31 1HE PHE 31 -5.342 -1.117 1.165 319 HE2 PHE 31 2HE PHE 31 -3.786 -4.772 2.664 320 HZ PHE 31 HZ PHE 31 -3.490 -2.707 1.390 321 QB PHE 31 QB PHE 31 -8.655 -4.283 3.238 322 QR PHE 31 QR PHE 31 -5.648 -3.196 2.427 323 H GLN 32 HN GLN 32 -7.041 -1.144 5.150 324 HA GLN 32 HA GLN 32 -8.698 0.824 3.671 325 1HB GLN 32 2HB GLN 32 -7.671 1.121 6.505 326 2HB GLN 32 3HB GLN 32 -8.063 2.515 5.513 327 1HG GLN 32 2HG GLN 32 -10.058 0.278 5.980 328 2HG GLN 32 3HG GLN 32 -9.948 1.676 7.042 329 1HE2 GLN 32 2HE2 GLN 32 -11.727 2.055 3.416 330 2HE2 GLN 32 1HE2 GLN 32 -11.039 0.572 3.906 331 QB GLN 32 QB GLN 32 -7.867 1.818 6.009 332 QG GLN 32 QG GLN 32 -10.003 0.977 6.511 333 QE2 GLN 32 QE2 GLN 32 -11.383 1.314 3.661 334 OH TYR 33 OH TYR 33 -6.764 5.594 -3.071 335 H TYR 33 HN TYR 33 -7.399 2.255 2.495 336 HA TYR 33 HA TYR 33 -4.440 1.989 2.995 337 1HB TYR 33 2HB TYR 33 -3.990 1.644 0.766 338 2HB TYR 33 3HB TYR 33 -5.600 0.943 0.814 339 HD1 TYR 33 HD1 TYR 33 -7.563 2.883 0.490 340 HD2 TYR 33 HD2 TYR 33 -3.572 3.143 -0.963 341 HE1 TYR 33 HE1 TYR 33 -8.293 4.479 -1.219 342 HE2 TYR 33 HE2 TYR 33 -4.296 4.785 -2.623 343 HH TYR 33 HH TYR 33 -7.696 5.402 -3.280 344 QB TYR 33 QB TYR 33 -4.795 1.293 0.790 345 QR TYR 33 QR TYR 33 -5.931 3.823 -1.079 346 H GLN 34 HN GLN 34 -3.097 3.618 2.263 347 HA GLN 34 HA GLN 34 -4.235 6.244 1.552 348 1HB GLN 34 2HB GLN 34 -3.668 5.786 4.224 349 2HB GLN 34 3HB GLN 34 -2.154 6.477 3.649 350 1HG GLN 34 2HG GLN 34 -3.817 8.211 2.454 351 2HG GLN 34 3HG GLN 34 -4.898 7.706 3.747 352 1HE2 GLN 34 2HE2 GLN 34 -1.626 9.982 4.614 353 2HE2 GLN 34 1HE2 GLN 34 -1.784 9.291 3.067 354 QB GLN 34 QB GLN 34 -2.911 6.131 3.936 355 QG GLN 34 QG GLN 34 -4.358 7.959 3.100 356 QE2 GLN 34 QE2 GLN 34 -1.705 9.637 3.840 357 OH TYR 35 OH TYR 35 3.503 9.246 -4.302 358 H TYR 35 HN TYR 35 -2.757 7.589 0.520 359 HA TYR 35 HA TYR 35 -0.185 6.268 -0.261 360 1HB TYR 35 2HB TYR 35 -1.595 6.494 -2.224 361 2HB TYR 35 3HB TYR 35 -2.009 8.159 -1.804 362 HD1 TYR 35 HD2 TYR 35 0.889 5.978 -2.643 363 HD2 TYR 35 HD1 TYR 35 -0.627 9.950 -2.589 364 HE1 TYR 35 HE2 TYR 35 2.950 6.773 -3.685 365 HE2 TYR 35 HE1 TYR 35 1.448 10.750 -3.639 366 HH TYR 35 HH TYR 35 3.780 10.062 -3.841 367 QB TYR 35 QB TYR 35 -1.802 7.327 -2.014 368 QR TYR 35 QR TYR 35 1.165 8.363 -3.139 369 H VAL 36 HN VAL 36 1.688 7.534 -0.161 370 HA VAL 36 HA VAL 36 1.367 10.373 0.696 371 HB VAL 36 HB VAL 36 3.496 8.807 2.071 372 1HG1 VAL 36 2HG1 VAL 36 1.528 10.938 2.984 373 2HG1 VAL 36 3HG1 VAL 36 2.864 10.307 3.941 374 3HG1 VAL 36 1HG1 VAL 36 3.195 11.216 2.474 375 1HG2 VAL 36 1HG2 VAL 36 0.579 8.555 2.881 376 2HG2 VAL 36 2HG2 VAL 36 1.605 7.255 2.281 377 3HG2 VAL 36 3HG2 VAL 36 1.956 8.008 3.832 378 QG1 VAL 36 QG1 VAL 36 2.529 10.820 3.133 379 QG2 VAL 36 QG2 VAL 36 1.380 7.939 2.998 380 QQG VAL 36 QQG VAL 36 1.954 9.380 3.065 381 H ASP 37 HN ASP 37 3.389 11.535 0.627 382 HA ASP 37 HA ASP 37 5.333 10.551 -1.443 383 1HB ASP 37 2HB ASP 37 3.833 12.441 -2.233 384 2HB ASP 37 3HB ASP 37 4.414 13.407 -0.892 385 QB ASP 37 QB ASP 37 4.123 12.924 -1.562 386 H ILE 38 HN ILE 38 7.328 10.320 -0.435 387 HA ILE 38 HA ILE 38 7.801 10.970 2.258 388 HB ILE 38 HB ILE 38 10.192 10.681 1.784 389 1HG1 ILE 38 2HG1 ILE 38 9.484 10.590 -1.166 390 2HG1 ILE 38 3HG1 ILE 38 10.076 12.050 -0.376 391 1HG2 ILE 38 1HG2 ILE 38 8.688 8.692 1.846 392 2HG2 ILE 38 2HG2 ILE 38 8.440 8.831 0.109 393 3HG2 ILE 38 3HG2 ILE 38 10.032 8.432 0.740 394 1HD1 ILE 38 1HD1 ILE 38 12.111 10.839 0.370 395 2HD1 ILE 38 2HD1 ILE 38 11.522 9.379 -0.420 396 3HD1 ILE 38 3HD1 ILE 38 11.958 10.781 -1.387 397 QG1 ILE 38 QG1 ILE 38 9.780 11.320 -0.771 398 QG2 ILE 38 QG2 ILE 38 9.053 8.652 0.898 399 QD1 ILE 38 QD1 ILE 38 11.864 10.333 -0.479 400 NH1 ARG 39 NH1 ARG 39 5.492 16.085 -1.644 401 NH2 ARG 39 NH2 ARG 39 6.067 16.471 -3.809 402 H ARG 39 HN ARG 39 7.621 13.096 -0.413 403 HA ARG 39 HA ARG 39 9.149 15.238 0.998 404 1HB ARG 39 2HB ARG 39 9.453 14.832 -1.473 405 2HB ARG 39 3HB ARG 39 7.780 15.266 -1.721 406 1HG ARG 39 2HG ARG 39 8.763 17.451 -0.287 407 2HG ARG 39 3HG ARG 39 10.138 16.988 -1.272 408 1HD ARG 39 2HD ARG 39 8.837 18.556 -2.579 409 2HD ARG 39 3HD ARG 39 8.580 16.959 -3.285 410 HE ARG 39 HE ARG 39 6.569 18.517 -1.725 411 1HH1 ARG 39 2HH1 ARG 39 5.544 16.372 -0.680 412 2HH1 ARG 39 1HH1 ARG 39 4.970 15.260 -1.904 413 1HH2 ARG 39 2HH2 ARG 39 6.548 17.040 -4.474 414 2HH2 ARG 39 1HH2 ARG 39 5.537 15.669 -4.114 415 QB ARG 39 QB ARG 39 8.616 15.049 -1.597 416 QG ARG 39 QG ARG 39 9.451 17.219 -0.779 417 QD ARG 39 QD ARG 39 8.709 17.758 -2.932 418 QH1 ARG 39 QH1 ARG 39 5.257 15.816 -1.292 419 QH2 ARG 39 QH2 ARG 39 6.043 16.355 -4.294 420 H ALA 40 HN ALA 40 6.468 14.087 1.777 421 HA ALA 40 HA ALA 40 4.857 16.622 1.777 422 1HB ALA 40 1HB ALA 40 4.030 13.761 2.417 423 2HB ALA 40 2HB ALA 40 2.957 15.156 2.405 424 3HB ALA 40 3HB ALA 40 3.684 14.597 0.905 425 QB ALA 40 QB ALA 40 3.557 14.505 1.909 426 H GLU 41 HN GLU 41 6.013 13.958 3.718 427 HA GLU 41 HA GLU 41 5.536 15.440 6.251 428 1HB GLU 41 2HB GLU 41 7.091 12.908 6.356 429 2HB GLU 41 3HB GLU 41 5.721 13.403 7.329 430 1HG GLU 41 2HG GLU 41 4.868 11.579 6.121 431 2HG GLU 41 3HG GLU 41 4.306 12.949 5.174 432 QB GLU 41 QB GLU 41 6.406 13.155 6.843 433 QG GLU 41 QG GLU 41 4.587 12.264 5.647 434 H GLY 42 HN GLY 42 8.049 14.032 4.256 435 1HA GLY 42 1HA GLY 42 10.138 15.294 3.814 436 2HA GLY 42 2HA GLY 42 10.060 15.905 5.469 437 QA GLY 42 QA GLY 42 10.099 15.599 4.642 438 H ILE 43 HN ILE 43 9.848 12.750 3.897 439 HA ILE 43 HA ILE 43 11.462 11.561 6.089 440 HB ILE 43 HB ILE 43 9.820 10.329 3.842 441 1HG1 ILE 43 2HG1 ILE 43 9.226 10.454 6.817 442 2HG1 ILE 43 3HG1 ILE 43 8.587 11.611 5.661 443 1HG2 ILE 43 3HG2 ILE 43 11.157 9.047 6.233 444 2HG2 ILE 43 1HG2 ILE 43 10.058 8.232 5.138 445 3HG2 ILE 43 2HG2 ILE 43 11.608 8.811 4.553 446 1HD1 ILE 43 1HD1 ILE 43 7.544 9.728 4.384 447 2HD1 ILE 43 2HD1 ILE 43 8.102 8.606 5.620 448 3HD1 ILE 43 3HD1 ILE 43 6.932 9.854 6.026 449 QG1 ILE 43 QG1 ILE 43 8.907 11.032 6.239 450 QG2 ILE 43 QG2 ILE 43 10.941 8.697 5.308 451 QD1 ILE 43 QD1 ILE 43 7.526 9.396 5.343 452 H THR 44 HN THR 44 13.305 10.322 5.690 453 HA THR 44 HA THR 44 14.594 10.725 3.018 454 HB THR 44 HB THR 44 16.775 10.780 4.232 455 HG1 THR 44 1HG THR 44 16.787 9.947 6.138 456 1HG2 THR 44 2HG2 THR 44 15.450 12.956 4.164 457 2HG2 THR 44 3HG2 THR 44 14.740 12.514 5.712 458 3HG2 THR 44 1HG2 THR 44 16.472 12.818 5.591 459 QG2 THR 44 QG2 THR 44 15.554 12.763 5.156 460 H LYS 45 HN LYS 45 16.691 8.941 3.205 461 HA LYS 45 HA LYS 45 15.277 6.390 2.873 462 1HB LYS 45 2HB LYS 45 17.219 7.107 1.439 463 2HB LYS 45 3HB LYS 45 18.268 6.976 2.840 464 1HG LYS 45 2HG LYS 45 17.235 4.509 2.968 465 2HG LYS 45 3HG LYS 45 16.877 4.805 1.280 466 1HD LYS 45 2HD LYS 45 19.031 3.718 1.368 467 2HD LYS 45 3HD LYS 45 19.303 5.397 0.923 468 1HE LYS 45 2HE LYS 45 20.908 4.609 2.670 469 2HE LYS 45 3HE LYS 45 19.928 5.952 3.233 470 1HZ LYS 45 3HZ LYS 45 18.646 3.459 3.766 471 2HZ LYS 45 1HZ LYS 45 20.194 3.479 4.455 472 3HZ LYS 45 2HZ LYS 45 19.075 4.690 4.841 473 QB LYS 45 QB LYS 45 17.744 7.042 2.139 474 QG LYS 45 QG LYS 45 17.056 4.657 2.124 475 QD LYS 45 QD LYS 45 19.167 4.557 1.146 476 QE LYS 45 QE LYS 45 20.418 5.281 2.951 477 QZ LYS 45 QZ LYS 45 19.305 3.876 4.354 478 H GLU 46 HN GLU 46 17.170 7.905 5.335 479 HA GLU 46 HA GLU 46 17.862 5.478 6.784 480 1HB GLU 46 2HB GLU 46 17.699 8.358 7.759 481 2HB GLU 46 3HB GLU 46 18.482 7.037 8.610 482 1HG GLU 46 2HG GLU 46 20.179 8.339 7.424 483 2HG GLU 46 3HG GLU 46 20.049 6.757 6.671 484 QB GLU 46 QB GLU 46 18.091 7.697 8.185 485 QG GLU 46 QG GLU 46 20.114 7.548 7.047 486 H ASP 47 HN ASP 47 15.572 8.128 7.366 487 HA ASP 47 HA ASP 47 14.157 7.085 9.549 488 1HB ASP 47 2HB ASP 47 13.853 9.366 8.498 489 2HB ASP 47 3HB ASP 47 12.986 8.602 7.170 490 QB ASP 47 QB ASP 47 13.420 8.984 7.834 491 H LEU 48 HN LEU 48 13.647 6.496 6.121 492 HA LEU 48 HA LEU 48 11.444 4.632 6.530 493 1HB LEU 48 2HB LEU 48 12.967 5.808 4.272 494 2HB LEU 48 3HB LEU 48 12.411 4.176 3.958 495 HG LEU 48 HG LEU 48 10.583 6.329 5.087 496 1HD1 LEU 48 1HD1 LEU 48 11.017 5.558 2.182 497 2HD1 LEU 48 2HD1 LEU 48 9.756 6.639 2.765 498 3HD1 LEU 48 3HD1 LEU 48 11.449 7.102 2.906 499 1HD2 LEU 48 2HD2 LEU 48 9.846 3.966 5.340 500 2HD2 LEU 48 3HD2 LEU 48 8.816 4.835 4.208 501 3HD2 LEU 48 1HD2 LEU 48 10.043 3.729 3.608 502 QB LEU 48 QB LEU 48 12.689 4.992 4.115 503 QD1 LEU 48 QD1 LEU 48 10.741 6.433 2.618 504 QD2 LEU 48 QD2 LEU 48 9.568 4.177 4.386 505 QQD LEU 48 QQD LEU 48 10.155 5.305 3.502 506 H GLN 49 HN GLN 49 14.930 4.250 5.937 507 HA GLN 49 HA GLN 49 14.927 1.432 5.570 508 1HB GLN 49 2HB GLN 49 16.951 2.777 5.254 509 2HB GLN 49 3HB GLN 49 16.954 3.242 6.947 510 1HG GLN 49 2HG GLN 49 17.868 1.249 7.625 511 2HG GLN 49 3HG GLN 49 16.946 0.308 6.458 512 1HE2 GLN 49 1HE2 GLN 49 19.827 -0.069 4.508 513 2HE2 GLN 49 2HE2 GLN 49 18.430 -0.760 5.199 514 QB GLN 49 QB GLN 49 16.953 3.009 6.100 515 QG GLN 49 QG GLN 49 17.407 0.778 7.041 516 QE2 GLN 49 QE2 GLN 49 19.129 -0.414 4.853 517 H GLN 50 HN GLN 50 15.136 3.394 8.466 518 HA GLN 50 HA GLN 50 15.224 1.467 10.495 519 1HB GLN 50 2HB GLN 50 15.180 4.120 10.578 520 2HB GLN 50 3HB GLN 50 13.450 3.907 10.735 521 1HG GLN 50 2HG GLN 50 15.098 2.203 12.541 522 2HG GLN 50 3HG GLN 50 15.110 3.925 12.882 523 1HE2 GLN 50 2HE2 GLN 50 11.790 1.753 13.717 524 2HE2 GLN 50 1HE2 GLN 50 13.102 1.036 12.912 525 QB GLN 50 QB GLN 50 14.315 4.014 10.656 526 QG GLN 50 QG GLN 50 15.104 3.064 12.712 527 QE2 GLN 50 QE2 GLN 50 12.446 1.395 13.315 528 H LYS 51 HN LYS 51 12.585 2.502 8.555 529 HA LYS 51 HA LYS 51 10.532 1.088 10.130 530 1HB LYS 51 2HB LYS 51 10.496 2.705 7.560 531 2HB LYS 51 3HB LYS 51 9.055 2.012 8.261 532 1HG LYS 51 2HG LYS 51 9.368 3.303 10.312 533 2HG LYS 51 3HG LYS 51 10.905 3.918 9.717 534 1HD LYS 51 2HD LYS 51 9.725 4.993 7.801 535 2HD LYS 51 3HD LYS 51 8.196 4.365 8.400 536 1HE LYS 51 2HE LYS 51 8.582 6.742 9.057 537 2HE LYS 51 3HE LYS 51 8.408 5.677 10.446 538 1HZ LYS 51 3HZ LYS 51 11.124 5.761 9.688 539 2HZ LYS 51 1HZ LYS 51 10.555 7.353 9.798 540 3HZ LYS 51 2HZ LYS 51 10.415 6.325 11.131 541 QB LYS 51 QB LYS 51 9.775 2.359 7.911 542 QG LYS 51 QG LYS 51 10.136 3.610 10.015 543 QD LYS 51 QD LYS 51 8.960 4.679 8.100 544 QE LYS 51 QE LYS 51 8.495 6.210 9.751 545 QZ LYS 51 QZ LYS 51 10.698 6.480 10.206 546 H ALA 52 HN ALA 52 11.607 0.996 6.794 547 HA ALA 52 HA ALA 52 10.201 -1.189 5.825 548 1HB ALA 52 3HB ALA 52 12.988 -0.200 5.140 549 2HB ALA 52 1HB ALA 52 12.072 -1.334 4.156 550 3HB ALA 52 2HB ALA 52 11.478 0.305 4.386 551 QB ALA 52 QB ALA 52 12.179 -0.410 4.561 552 H GLY 53 HN GLY 53 13.178 -1.119 7.686 553 1HA GLY 53 1HA GLY 53 14.294 -2.900 8.790 554 2HA GLY 53 2HA GLY 53 12.820 -3.860 8.561 555 QA GLY 53 QA GLY 53 13.557 -3.380 8.675 556 H LYS 54 HN LYS 54 14.383 -2.210 6.036 557 HA LYS 54 HA LYS 54 15.531 -4.695 4.872 558 1HB LYS 54 2HB LYS 54 13.713 -2.659 3.504 559 2HB LYS 54 3HB LYS 54 14.665 -3.828 2.615 560 1HG LYS 54 2HG LYS 54 12.616 -4.572 4.729 561 2HG LYS 54 3HG LYS 54 12.283 -4.559 3.005 562 1HD LYS 54 2HD LYS 54 14.430 -6.128 2.903 563 2HD LYS 54 3HD LYS 54 14.064 -6.388 4.603 564 1HE LYS 54 2HE LYS 54 12.957 -8.120 3.315 565 2HE LYS 54 3HE LYS 54 11.730 -7.039 3.965 566 1HZ LYS 54 3HZ LYS 54 12.518 -6.016 1.481 567 2HZ LYS 54 1HZ LYS 54 12.261 -7.682 1.275 568 3HZ LYS 54 2HZ LYS 54 11.016 -6.704 1.891 569 QB LYS 54 QB LYS 54 14.189 -3.243 3.059 570 QG LYS 54 QG LYS 54 12.450 -4.566 3.867 571 QD LYS 54 QD LYS 54 14.247 -6.258 3.753 572 QE LYS 54 QE LYS 54 12.343 -7.579 3.640 573 QZ LYS 54 QZ LYS 54 11.932 -6.801 1.549 574 HA PRO 55 HA PRO 55 17.699 -1.019 3.018 575 1HB PRO 55 2HB PRO 55 18.427 -1.973 0.545 576 2HB PRO 55 3HB PRO 55 19.412 -2.210 1.994 577 1HG PRO 55 2HG PRO 55 17.636 -4.165 0.568 578 2HG PRO 55 3HG PRO 55 19.119 -4.475 1.478 579 1HD PRO 55 2HD PRO 55 16.490 -4.878 2.430 580 2HD PRO 55 3HD PRO 55 17.947 -4.798 3.444 581 QB PRO 55 QB PRO 55 18.920 -2.091 1.270 582 QG PRO 55 QG PRO 55 18.378 -4.320 1.023 583 QD PRO 55 QD PRO 55 17.219 -4.838 2.937 584 H VAL 56 HN VAL 56 16.756 0.554 1.745 585 HA VAL 56 HA VAL 56 14.374 -0.188 0.149 586 HB VAL 56 HB VAL 56 13.593 2.117 0.719 587 1HG1 VAL 56 2HG1 VAL 56 14.116 0.275 3.073 588 2HG1 VAL 56 3HG1 VAL 56 12.903 1.550 3.023 589 3HG1 VAL 56 1HG1 VAL 56 12.755 0.152 1.959 590 1HG2 VAL 56 2HG2 VAL 56 15.917 2.011 2.643 591 2HG2 VAL 56 3HG2 VAL 56 15.769 3.085 1.257 592 3HG2 VAL 56 1HG2 VAL 56 14.672 3.253 2.625 593 QG1 VAL 56 QG1 VAL 56 13.258 0.659 2.685 594 QG2 VAL 56 QG2 VAL 56 15.453 2.783 2.175 595 QQG VAL 56 QQG VAL 56 14.355 1.721 2.430 596 H GLU 57 HN GLU 57 14.032 1.267 -1.711 597 HA GLU 57 HA GLU 57 16.673 2.173 -2.808 598 1HB GLU 57 2HB GLU 57 14.071 1.386 -4.166 599 2HB GLU 57 3HB GLU 57 15.369 2.192 -5.031 600 1HG GLU 57 2HG GLU 57 16.929 0.354 -4.440 601 2HG GLU 57 3HG GLU 57 15.645 -0.454 -3.554 602 QB GLU 57 QB GLU 57 14.720 1.789 -4.599 603 QG GLU 57 QG GLU 57 16.287 -0.050 -3.997 604 H THR 58 HN THR 58 14.003 3.499 -4.432 605 HA THR 58 HA THR 58 14.328 6.068 -2.944 606 HB THR 58 HB THR 58 13.929 7.175 -5.220 607 HG1 THR 58 1HG THR 58 14.662 5.035 -6.644 608 1HG2 THR 58 1HG2 THR 58 16.250 5.173 -5.154 609 2HG2 THR 58 2HG2 THR 58 16.170 6.635 -6.132 610 3HG2 THR 58 3HG2 THR 58 16.297 6.754 -4.382 611 QG2 THR 58 QG2 THR 58 16.239 6.187 -5.223 612 H VAL 59 HN VAL 59 12.242 4.990 -5.477 613 HA VAL 59 HA VAL 59 9.898 4.904 -3.677 614 HB VAL 59 HB VAL 59 8.604 6.338 -5.405 615 1HG1 VAL 59 3HG1 VAL 59 9.267 7.207 -3.177 616 2HG1 VAL 59 1HG1 VAL 59 10.832 7.678 -3.826 617 3HG1 VAL 59 2HG1 VAL 59 9.367 8.468 -4.400 618 1HG2 VAL 59 1HG2 VAL 59 10.344 6.218 -7.195 619 2HG2 VAL 59 2HG2 VAL 59 9.981 7.887 -6.766 620 3HG2 VAL 59 3HG2 VAL 59 11.449 7.122 -6.167 621 QG1 VAL 59 QG1 VAL 59 9.822 7.784 -3.801 622 QG2 VAL 59 QG2 VAL 59 10.591 7.076 -6.709 623 QQG VAL 59 QQG VAL 59 10.207 7.430 -5.255 624 HA PRO 60 HA PRO 60 8.026 4.421 -3.691 625 1HB PRO 60 2HB PRO 60 5.782 2.856 -4.129 626 2HB PRO 60 3HB PRO 60 6.056 4.430 -4.872 627 1HG PRO 60 2HG PRO 60 6.020 1.810 -6.169 628 2HG PRO 60 3HG PRO 60 6.187 3.392 -6.936 629 1HD PRO 60 2HD PRO 60 8.308 1.430 -6.200 630 2HD PRO 60 3HD PRO 60 8.387 2.762 -7.377 631 QB PRO 60 QB PRO 60 5.919 3.643 -4.501 632 QG PRO 60 QG PRO 60 6.103 2.601 -6.553 633 QD PRO 60 QD PRO 60 8.348 2.096 -6.789 634 H GLN 61 HN GLN 61 7.397 3.474 -1.698 635 HA GLN 61 HA GLN 61 8.186 0.591 -1.313 636 1HB GLN 61 2HB GLN 61 8.435 2.916 0.642 637 2HB GLN 61 3HB GLN 61 8.768 1.244 1.053 638 1HG GLN 61 2HG GLN 61 10.217 2.622 -1.225 639 2HG GLN 61 3HG GLN 61 10.782 2.754 0.431 640 1HE2 GLN 61 2HE2 GLN 61 10.708 -1.183 -0.377 641 2HE2 GLN 61 1HE2 GLN 61 9.288 -0.300 -0.119 642 QB GLN 61 QB GLN 61 8.601 2.080 0.847 643 QG GLN 61 QG GLN 61 10.500 2.688 -0.397 644 QE2 GLN 61 QE2 GLN 61 9.998 -0.741 -0.248 645 H ILE 62 HN ILE 62 6.769 -0.619 0.080 646 HA ILE 62 HA ILE 62 4.216 0.793 0.751 647 HB ILE 62 HB ILE 62 4.537 -2.046 -0.276 648 1HG1 ILE 62 2HG1 ILE 62 3.556 0.492 -1.651 649 2HG1 ILE 62 3HG1 ILE 62 5.106 -0.281 -1.947 650 1HG2 ILE 62 1HG2 ILE 62 2.073 -0.318 0.214 651 2HG2 ILE 62 2HG2 ILE 62 2.056 -1.930 -0.487 652 3HG2 ILE 62 3HG2 ILE 62 2.550 -1.707 1.182 653 1HD1 ILE 62 2HD1 ILE 62 3.943 -2.341 -2.629 654 2HD1 ILE 62 3HD1 ILE 62 2.390 -1.536 -2.402 655 3HD1 ILE 62 1HD1 ILE 62 3.506 -0.970 -3.637 656 QG1 ILE 62 QG1 ILE 62 4.331 0.106 -1.799 657 QG2 ILE 62 QG2 ILE 62 2.226 -1.318 0.303 658 QD1 ILE 62 QD1 ILE 62 3.279 -1.616 -2.889 659 H PHE 63 HN PHE 63 3.212 0.346 2.503 660 HA PHE 63 HA PHE 63 4.428 -1.599 4.449 661 1HB PHE 63 2HB PHE 63 3.533 1.258 4.851 662 2HB PHE 63 3HB PHE 63 3.534 0.135 6.203 663 HD1 PHE 63 2HD PHE 63 5.760 1.518 3.518 664 HD2 PHE 63 1HD PHE 63 5.525 -0.326 7.350 665 HE1 PHE 63 2HE PHE 63 8.188 1.813 3.818 666 HE2 PHE 63 1HE PHE 63 7.936 -0.016 7.655 667 HZ PHE 63 HZ PHE 63 9.266 1.084 5.899 668 QB PHE 63 QB PHE 63 3.534 0.697 5.527 669 QR PHE 63 QR PHE 63 6.852 0.747 5.585 670 H VAL 64 HN VAL 64 3.005 -2.734 5.724 671 HA VAL 64 HA VAL 64 0.092 -2.424 5.091 672 HB VAL 64 HB VAL 64 1.721 -4.934 5.657 673 1HG1 VAL 64 2HG1 VAL 64 -0.515 -5.078 6.750 674 2HG1 VAL 64 3HG1 VAL 64 -1.282 -4.662 5.218 675 3HG1 VAL 64 1HG1 VAL 64 -0.400 -6.174 5.388 676 1HG2 VAL 64 3HG2 VAL 64 0.099 -3.999 3.255 677 2HG2 VAL 64 1HG2 VAL 64 1.854 -4.038 3.350 678 3HG2 VAL 64 2HG2 VAL 64 0.941 -5.541 3.373 679 QG1 VAL 64 QG1 VAL 64 -0.732 -5.304 5.785 680 QG2 VAL 64 QG2 VAL 64 0.965 -4.526 3.326 681 QQG VAL 64 QQG VAL 64 0.116 -4.915 4.556 682 H ASP 65 HN ASP 65 -0.243 -1.046 6.807 683 HA ASP 65 HA ASP 65 -0.962 -0.581 8.976 684 1HB ASP 65 2HB ASP 65 -1.686 -3.111 8.808 685 2HB ASP 65 3HB ASP 65 -0.309 -3.398 9.846 686 QB ASP 65 QB ASP 65 -0.997 -3.254 9.327 687 H GLN 66 HN GLN 66 1.398 -3.027 9.635 688 HA GLN 66 HA GLN 66 3.267 -0.954 10.630 689 1HB GLN 66 2HB GLN 66 1.902 -2.070 12.499 690 2HB GLN 66 3HB GLN 66 2.798 -3.542 12.133 691 1HG GLN 66 2HG GLN 66 4.936 -2.358 12.537 692 2HG GLN 66 3HG GLN 66 4.056 -0.871 12.876 693 1HE2 GLN 66 2HE2 GLN 66 3.094 -1.885 16.133 694 2HE2 GLN 66 1HE2 GLN 66 2.787 -0.790 14.873 695 QB GLN 66 QB GLN 66 2.350 -2.806 12.316 696 QG GLN 66 QG GLN 66 4.496 -1.614 12.707 697 QE2 GLN 66 QE2 GLN 66 2.941 -1.337 15.503 698 H GLN 67 HN GLN 67 2.822 -3.966 8.977 699 HA GLN 67 HA GLN 67 5.700 -4.611 9.184 700 1HB GLN 67 2HB GLN 67 3.242 -6.025 8.272 701 2HB GLN 67 3HB GLN 67 4.715 -6.429 7.413 702 1HG GLN 67 2HG GLN 67 4.384 -6.519 10.437 703 2HG GLN 67 3HG GLN 67 4.365 -7.923 9.373 704 1HE2 GLN 67 2HE2 GLN 67 7.871 -6.890 10.739 705 2HE2 GLN 67 1HE2 GLN 67 6.371 -6.692 11.509 706 QB GLN 67 QB GLN 67 3.979 -6.227 7.842 707 QG GLN 67 QG GLN 67 4.374 -7.221 9.905 708 QE2 GLN 67 QE2 GLN 67 7.121 -6.791 11.124 709 H HIS 68 HN HIS 68 6.964 -4.960 7.272 710 HA HIS 68 HA HIS 68 6.292 -2.965 5.149 711 1HB HIS 68 2HB HIS 68 8.421 -2.646 6.385 712 2HB HIS 68 3HB HIS 68 8.927 -4.250 5.929 713 HD1 HIS 68 HD1 HIS 68 10.868 -3.560 4.552 714 HD2 HIS 68 HD2 HIS 68 7.482 -1.596 3.315 715 HE1 HIS 68 HE1 HIS 68 11.400 -2.561 2.284 716 QB HIS 68 QB HIS 68 8.674 -3.448 6.157 717 H ILE 69 HN ILE 69 6.214 -3.634 2.997 718 HA ILE 69 HA ILE 69 6.434 -6.604 2.588 719 HB ILE 69 HB ILE 69 4.937 -4.699 0.762 720 1HG1 ILE 69 2HG1 ILE 69 3.943 -4.462 3.008 721 2HG1 ILE 69 3HG1 ILE 69 2.860 -5.325 1.932 722 1HG2 ILE 69 3HG2 ILE 69 4.810 -7.694 1.270 723 2HG2 ILE 69 1HG2 ILE 69 3.736 -6.822 0.190 724 3HG2 ILE 69 2HG2 ILE 69 5.455 -6.900 -0.154 725 1HD1 ILE 69 3HD1 ILE 69 4.699 -6.628 3.972 726 2HD1 ILE 69 1HD1 ILE 69 2.964 -6.420 4.147 727 3HD1 ILE 69 2HD1 ILE 69 3.597 -7.479 2.902 728 QG1 ILE 69 QG1 ILE 69 3.402 -4.894 2.470 729 QG2 ILE 69 QG2 ILE 69 4.667 -7.139 0.435 730 QD1 ILE 69 QD1 ILE 69 3.753 -6.842 3.674 731 H GLY 70 HN GLY 70 7.001 -3.482 1.086 732 1HA GLY 70 1HA GLY 70 9.450 -3.408 0.199 733 2HA GLY 70 2HA GLY 70 8.926 -4.749 -0.811 734 QA GLY 70 QA GLY 70 9.188 -4.079 -0.306 735 H GLY 71 HN GLY 71 8.153 -4.191 -2.781 736 1HA GLY 71 1HA GLY 71 7.133 -1.387 -3.147 737 2HA GLY 71 2HA GLY 71 8.065 -2.244 -4.371 738 QA GLY 71 QA GLY 71 7.599 -1.815 -3.759 739 OH TYR 72 OH TYR 72 -0.955 -3.819 -9.370 740 H TYR 72 HN TYR 72 5.971 -1.469 -5.510 741 HA TYR 72 HA TYR 72 3.458 -2.585 -5.123 742 1HB TYR 72 2HB TYR 72 3.926 -0.983 -6.953 743 2HB TYR 72 3HB TYR 72 4.800 -2.234 -7.830 744 HD1 TYR 72 HD2 TYR 72 1.603 -2.488 -5.881 745 HD2 TYR 72 HD1 TYR 72 3.441 -2.755 -9.712 746 HE1 TYR 72 HE2 TYR 72 -0.512 -3.260 -6.837 747 HE2 TYR 72 HE1 TYR 72 1.329 -3.560 -10.658 748 HH TYR 72 HH TYR 72 -0.861 -4.738 -9.663 749 QB TYR 72 QB TYR 72 4.363 -1.608 -7.392 750 QR TYR 72 QR TYR 72 1.465 -3.016 -8.272 751 H THR 73 HN THR 73 6.117 -4.124 -6.910 752 HA THR 73 HA THR 73 4.809 -6.469 -7.716 753 HB THR 73 HB THR 73 7.373 -7.367 -7.082 754 HG1 THR 73 1HG THR 73 8.003 -5.483 -6.073 755 1HG2 THR 73 1HG2 THR 73 6.710 -5.409 -9.338 756 2HG2 THR 73 2HG2 THR 73 8.080 -6.513 -9.303 757 3HG2 THR 73 3HG2 THR 73 6.441 -7.147 -9.426 758 QG2 THR 73 QG2 THR 73 7.077 -6.356 -9.355 759 H ASP 74 HN ASP 74 6.577 -5.905 -4.770 760 HA ASP 74 HA ASP 74 6.139 -8.377 -3.462 761 1HB ASP 74 2HB ASP 74 6.384 -5.707 -2.038 762 2HB ASP 74 3HB ASP 74 6.925 -7.280 -1.483 763 QB ASP 74 QB ASP 74 6.654 -6.493 -1.761 764 H PHE 75 HN PHE 75 4.481 -5.286 -3.092 765 HA PHE 75 HA PHE 75 2.522 -6.196 -1.232 766 1HB PHE 75 2HB PHE 75 3.016 -3.835 -1.594 767 2HB PHE 75 3HB PHE 75 2.386 -3.928 -3.236 768 HD1 PHE 75 2HD PHE 75 1.440 -4.246 0.344 769 HD2 PHE 75 1HD PHE 75 0.044 -3.809 -3.646 770 HE1 PHE 75 2HE PHE 75 -0.826 -3.805 1.192 771 HE2 PHE 75 1HE PHE 75 -2.217 -3.360 -2.803 772 HZ PHE 75 HZ PHE 75 -2.651 -3.369 -0.387 773 QB PHE 75 QB PHE 75 2.701 -3.881 -2.415 774 QR PHE 75 QR PHE 75 -0.390 -3.805 -1.228 775 H ALA 76 HN ALA 76 2.345 -5.994 -4.791 776 HA ALA 76 HA ALA 76 -0.368 -6.820 -5.019 777 1HB ALA 76 1HB ALA 76 0.988 -5.909 -6.915 778 2HB ALA 76 2HB ALA 76 1.929 -7.395 -6.929 779 3HB ALA 76 3HB ALA 76 0.214 -7.435 -7.336 780 QB ALA 76 QB ALA 76 1.044 -6.913 -7.060 781 H ALA 77 HN ALA 77 2.609 -8.749 -5.374 782 HA ALA 77 HA ALA 77 1.244 -11.277 -5.459 783 1HB ALA 77 1HB ALA 77 4.051 -10.626 -4.439 784 2HB ALA 77 2HB ALA 77 3.464 -12.243 -4.831 785 3HB ALA 77 3HB ALA 77 3.639 -11.036 -6.102 786 QB ALA 77 QB ALA 77 3.718 -11.302 -5.124 787 CH2 TRP 78 CH2 TRP 78 -0.878 -7.268 3.175 788 H TRP 78 HN TRP 78 2.903 -9.663 -2.761 789 HA TRP 78 HA TRP 78 2.329 -11.404 -0.679 790 1HB TRP 78 2HB TRP 78 3.636 -9.424 -0.329 791 2HB TRP 78 3HB TRP 78 2.318 -8.399 -0.788 792 HD1 TRP 78 HD1 TRP 78 3.561 -10.449 2.234 793 HE1 TRP 78 HE1 TRP 78 2.260 -9.776 4.263 794 HE3 TRP 78 HE3 TRP 78 0.311 -7.427 0.002 795 HZ2 TRP 78 HZ2 TRP 78 -0.012 -8.222 4.883 796 HZ3 TRP 78 HZ3 TRP 78 -1.515 -6.406 1.332 797 HH2 TRP 78 HH2 TRP 78 -1.679 -6.814 3.740 798 QB TRP 78 QB TRP 78 2.977 -8.912 -0.558 799 H VAL 79 HN VAL 79 0.207 -8.739 -1.720 800 HA VAL 79 HA VAL 79 -1.921 -9.025 0.014 801 HB VAL 79 HB VAL 79 -1.784 -8.341 -2.932 802 1HG1 VAL 79 3HG1 VAL 79 -4.338 -8.453 -1.275 803 2HG1 VAL 79 1HG1 VAL 79 -4.199 -7.743 -2.877 804 3HG1 VAL 79 2HG1 VAL 79 -3.980 -9.469 -2.666 805 1HG2 VAL 79 3HG2 VAL 79 -2.634 -6.789 -0.459 806 2HG2 VAL 79 1HG2 VAL 79 -1.090 -6.636 -1.277 807 3HG2 VAL 79 2HG2 VAL 79 -2.562 -6.134 -2.089 808 QG1 VAL 79 QG1 VAL 79 -4.172 -8.555 -2.272 809 QG2 VAL 79 QG2 VAL 79 -2.095 -6.520 -1.275 810 QQG VAL 79 QQG VAL 79 -3.134 -7.537 -1.774 811 H LYS 80 HN LYS 80 -1.672 -10.636 -3.089 812 HA LYS 80 HA LYS 80 -3.899 -12.235 -3.065 813 1HB LYS 80 2HB LYS 80 -2.342 -12.006 -4.956 814 2HB LYS 80 3HB LYS 80 -1.126 -12.904 -4.073 815 1HG LYS 80 2HG LYS 80 -2.273 -14.302 -5.765 816 2HG LYS 80 3HG LYS 80 -2.432 -14.918 -4.148 817 1HD LYS 80 2HD LYS 80 -4.732 -13.645 -4.131 818 2HD LYS 80 3HD LYS 80 -4.540 -13.659 -5.879 819 1HE LYS 80 2HE LYS 80 -5.759 -15.668 -5.253 820 2HE LYS 80 3HE LYS 80 -4.136 -16.159 -5.735 821 1HZ LYS 80 1HZ LYS 80 -4.301 -15.510 -2.959 822 2HZ LYS 80 2HZ LYS 80 -5.387 -16.741 -3.357 823 3HZ LYS 80 3HZ LYS 80 -3.697 -16.914 -3.676 824 QB LYS 80 QB LYS 80 -1.734 -12.455 -4.514 825 QG LYS 80 QG LYS 80 -2.353 -14.610 -4.957 826 QD LYS 80 QD LYS 80 -4.636 -13.652 -5.005 827 QE LYS 80 QE LYS 80 -4.948 -15.914 -5.494 828 QZ LYS 80 QZ LYS 80 -4.462 -16.388 -3.331 829 H GLU 81 HN GLU 81 -1.053 -12.952 -1.079 830 HA GLU 81 HA GLU 81 -2.354 -15.561 -0.367 831 1HB GLU 81 2HB GLU 81 0.483 -14.623 -0.453 832 2HB GLU 81 3HB GLU 81 0.071 -15.806 0.779 833 1HG GLU 81 2HG GLU 81 0.848 -16.835 -1.396 834 2HG GLU 81 3HG GLU 81 -0.758 -17.368 -0.913 835 QB GLU 81 QB GLU 81 0.277 -15.214 0.163 836 QG GLU 81 QG GLU 81 0.045 -17.102 -1.155 837 H ASN 82 HN ASN 82 -2.387 -12.549 0.783 838 HA ASN 82 HA ASN 82 -2.445 -13.483 3.638 839 1HB ASN 82 2HB ASN 82 -1.615 -10.798 2.490 840 2HB ASN 82 3HB ASN 82 -1.930 -11.064 4.205 841 1HD2 ASN 82 2HD2 ASN 82 1.389 -12.745 2.505 842 2HD2 ASN 82 1HD2 ASN 82 0.155 -12.139 1.510 843 QB ASN 82 QB ASN 82 -1.772 -10.931 3.348 844 QD2 ASN 82 QD2 ASN 82 0.772 -12.442 2.007 845 H LEU 83 HN LEU 83 -4.003 -11.592 1.145 846 HA LEU 83 HA LEU 83 -6.326 -11.177 3.009 847 1HB LEU 83 2HB LEU 83 -5.580 -9.589 0.540 848 2HB LEU 83 3HB LEU 83 -6.855 -9.193 1.684 849 HG LEU 83 HG LEU 83 -3.896 -9.363 2.393 850 1HD1 LEU 83 1HD1 LEU 83 -4.387 -7.476 0.884 851 2HD1 LEU 83 2HD1 LEU 83 -5.677 -6.947 1.959 852 3HD1 LEU 83 3HD1 LEU 83 -4.001 -6.912 2.504 853 1HD2 LEU 83 1HD2 LEU 83 -6.316 -8.371 3.955 854 2HD2 LEU 83 2HD2 LEU 83 -5.362 -9.808 4.317 855 3HD2 LEU 83 3HD2 LEU 83 -4.644 -8.214 4.481 856 QB LEU 83 QB LEU 83 -6.218 -9.391 1.112 857 QD1 LEU 83 QD1 LEU 83 -4.688 -7.111 1.782 858 QD2 LEU 83 QD2 LEU 83 -5.441 -8.798 4.251 859 QQD LEU 83 QQD LEU 83 -5.065 -7.955 3.016 860 H ASP 84 HN ASP 84 -5.746 -13.490 1.190 861 HA ASP 84 HA ASP 84 -7.795 -13.231 -0.904 862 1HB ASP 84 2HB ASP 84 -5.456 -14.675 -0.707 863 2HB ASP 84 3HB ASP 84 -6.647 -15.911 -0.359 864 QB ASP 84 QB ASP 84 -6.052 -15.293 -0.533 865 H ALA 85 HN ALA 85 -9.059 -12.845 1.464 866 HA ALA 85 HA ALA 85 -10.652 -15.351 1.737 867 1HB ALA 85 3HB ALA 85 -9.108 -15.246 3.654 868 2HB ALA 85 1HB ALA 85 -9.697 -13.634 4.054 869 3HB ALA 85 2HB ALA 85 -10.771 -15.020 4.187 870 QB ALA 85 QB ALA 85 -9.858 -14.633 3.965 Start of MODEL 5 Raw file had 870 H/Q atoms Start of MODEL 5 1 H MET 1 HN MET 1 -8.188 -3.871 9.306 2 HA MET 1 HA MET 1 -6.101 -3.138 9.855 3 1HB MET 1 2HB MET 1 -4.173 -4.004 8.438 4 2HB MET 1 3HB MET 1 -5.231 -5.262 9.056 5 1HG MET 1 2HG MET 1 -6.169 -5.698 6.991 6 2HG MET 1 3HG MET 1 -5.898 -4.084 6.390 7 1HE MET 1 2HE MET 1 -4.519 -3.612 4.574 8 2HE MET 1 3HE MET 1 -3.425 -3.171 5.891 9 3HE MET 1 1HE MET 1 -2.819 -4.062 4.494 10 QB MET 1 QB MET 1 -4.702 -4.633 8.747 11 QG MET 1 QG MET 1 -6.033 -4.891 6.691 12 QE MET 1 QE MET 1 -3.587 -3.615 4.986 13 H GLN 2 HN GLN 2 -4.168 -1.762 8.872 14 HA GLN 2 HA GLN 2 -5.329 0.128 6.935 15 1HB GLN 2 2HB GLN 2 -4.947 1.089 9.082 16 2HB GLN 2 3HB GLN 2 -3.330 0.391 9.167 17 1HG GLN 2 2HG GLN 2 -3.196 2.698 8.580 18 2HG GLN 2 3HG GLN 2 -2.672 1.756 7.206 19 1HE2 GLN 2 2HE2 GLN 2 -4.978 3.593 5.231 20 2HE2 GLN 2 1HE2 GLN 2 -3.399 2.964 5.368 21 QB GLN 2 QB GLN 2 -4.138 0.740 9.125 22 QG GLN 2 QG GLN 2 -2.934 2.227 7.893 23 QE2 GLN 2 QE2 GLN 2 -4.188 3.279 5.300 24 H THR 3 HN THR 3 -4.160 0.643 5.109 25 HA THR 3 HA THR 3 -1.544 -0.785 4.737 26 HB THR 3 HB THR 3 -3.320 0.020 2.409 27 HG1 THR 3 1HG THR 3 -4.729 -0.995 3.768 28 1HG2 THR 3 1HG2 THR 3 -1.052 -1.177 2.136 29 2HG2 THR 3 2HG2 THR 3 -1.749 -2.521 3.034 30 3HG2 THR 3 3HG2 THR 3 -2.424 -2.056 1.480 31 QG2 THR 3 QG2 THR 3 -1.742 -1.918 2.217 32 H VAL 4 HN VAL 4 0.150 0.401 3.664 33 HA VAL 4 HA VAL 4 -0.481 3.264 3.098 34 HB VAL 4 HB VAL 4 1.897 2.354 4.744 35 1HG1 VAL 4 3HG1 VAL 4 0.724 5.101 4.156 36 2HG1 VAL 4 1HG1 VAL 4 2.098 4.793 5.211 37 3HG1 VAL 4 2HG1 VAL 4 2.223 4.466 3.488 38 1HG2 VAL 4 2HG2 VAL 4 -0.204 2.001 6.018 39 2HG2 VAL 4 3HG2 VAL 4 0.733 3.329 6.694 40 3HG2 VAL 4 1HG2 VAL 4 -0.675 3.664 5.694 41 QG1 VAL 4 QG1 VAL 4 1.681 4.787 4.285 42 QG2 VAL 4 QG2 VAL 4 -0.049 2.998 6.135 43 QQG VAL 4 QQG VAL 4 0.816 3.892 5.210 44 H ILE 5 HN ILE 5 0.591 4.122 1.379 45 HA ILE 5 HA ILE 5 2.761 2.471 0.105 46 HB ILE 5 HB ILE 5 1.192 4.739 -1.180 47 1HG1 ILE 5 2HG1 ILE 5 -0.497 3.133 -0.806 48 2HG1 ILE 5 3HG1 ILE 5 0.012 2.901 -2.472 49 1HG2 ILE 5 2HG2 ILE 5 2.938 2.541 -2.337 50 2HG2 ILE 5 3HG2 ILE 5 2.024 3.709 -3.291 51 3HG2 ILE 5 1HG2 ILE 5 3.332 4.254 -2.249 52 1HD1 ILE 5 1HD1 ILE 5 1.506 1.026 -1.711 53 2HD1 ILE 5 2HD1 ILE 5 0.867 1.217 -0.088 54 3HD1 ILE 5 3HD1 ILE 5 -0.195 0.712 -1.394 55 QG1 ILE 5 QG1 ILE 5 -0.243 3.017 -1.639 56 QG2 ILE 5 QG2 ILE 5 2.764 3.501 -2.626 57 QD1 ILE 5 QD1 ILE 5 0.726 0.985 -1.064 58 H PHE 6 HN PHE 6 4.755 3.411 -0.132 59 HA PHE 6 HA PHE 6 5.101 6.288 0.623 60 1HB PHE 6 2HB PHE 6 7.056 4.004 1.133 61 2HB PHE 6 3HB PHE 6 7.356 5.699 1.488 62 HD1 PHE 6 2HD PHE 6 4.873 3.002 2.224 63 HD2 PHE 6 1HD PHE 6 6.866 6.480 3.667 64 HE1 PHE 6 2HE PHE 6 3.852 2.695 4.424 65 HE2 PHE 6 1HE PHE 6 5.840 6.156 5.871 66 HZ PHE 6 HZ PHE 6 4.334 4.252 6.257 67 QB PHE 6 QB PHE 6 7.206 4.851 1.310 68 QR PHE 6 QR PHE 6 5.358 4.583 4.047 69 H GLY 7 HN GLY 7 4.925 6.808 -1.557 70 1HA GLY 7 1HA GLY 7 7.330 6.125 -3.191 71 2HA GLY 7 2HA GLY 7 5.729 5.971 -3.923 72 QA GLY 7 QA GLY 7 6.529 6.048 -3.557 73 NH1 ARG 8 NH1 ARG 8 7.722 15.900 -5.487 74 NH2 ARG 8 NH2 ARG 8 6.210 15.549 -3.799 75 H ARG 8 HN ARG 8 6.572 7.706 -5.419 76 HA ARG 8 HA ARG 8 5.871 10.327 -4.247 77 1HB ARG 8 2HB ARG 8 8.325 10.298 -4.109 78 2HB ARG 8 3HB ARG 8 8.444 9.786 -5.784 79 1HG ARG 8 2HG ARG 8 8.930 12.203 -5.527 80 2HG ARG 8 3HG ARG 8 7.523 11.957 -6.535 81 1HD ARG 8 2HD ARG 8 6.255 12.211 -4.173 82 2HD ARG 8 3HD ARG 8 7.721 13.071 -3.751 83 HE ARG 8 HE ARG 8 6.006 13.854 -6.111 84 1HH1 ARG 8 1HH1 ARG 8 8.184 15.541 -6.301 85 2HH1 ARG 8 2HH1 ARG 8 7.933 16.823 -5.159 86 1HH2 ARG 8 2HH2 ARG 8 5.586 14.898 -3.338 87 2HH2 ARG 8 1HH2 ARG 8 6.337 16.468 -3.423 88 QB ARG 8 QB ARG 8 8.385 10.042 -4.946 89 QG ARG 8 QG ARG 8 8.226 12.080 -6.031 90 QD ARG 8 QD ARG 8 6.988 12.641 -3.962 91 QH1 ARG 8 QH1 ARG 8 8.059 16.182 -5.730 92 QH2 ARG 8 QH2 ARG 8 5.962 15.683 -3.381 93 H SER 9 HN SER 9 5.573 11.963 -6.049 94 HA SER 9 HA SER 9 3.990 10.712 -8.181 95 1HB SER 9 2HB SER 9 3.345 13.099 -8.654 96 2HB SER 9 3HB SER 9 3.142 12.714 -6.928 97 HG SER 9 HG SER 9 5.270 14.051 -8.249 98 QB SER 9 QB SER 9 3.244 12.907 -7.791 99 H GLY 10 HN GLY 10 6.248 9.802 -8.893 100 1HA GLY 10 1HA GLY 10 7.444 11.743 -10.871 101 2HA GLY 10 2HA GLY 10 8.403 10.518 -10.041 102 QA GLY 10 QA GLY 10 7.923 11.131 -10.456 103 H CYS 11 HN CYS 11 5.399 10.702 -11.841 104 HA CYS 11 HA CYS 11 5.023 9.689 -14.045 105 1HB CYS 11 2HB CYS 11 7.362 8.655 -13.982 106 2HB CYS 11 3HB CYS 11 6.684 7.378 -13.012 107 HG CYS 11 HG CYS 11 5.773 6.280 -15.019 108 QB CYS 11 QB CYS 11 7.023 8.016 -13.497 109 HA PRO 12 HA PRO 12 1.751 7.136 -12.219 110 1HB PRO 12 2HB PRO 12 2.203 5.258 -14.515 111 2HB PRO 12 3HB PRO 12 0.688 5.939 -13.901 112 1HG PRO 12 2HG PRO 12 1.834 6.913 -16.155 113 2HG PRO 12 3HG PRO 12 1.005 7.991 -15.022 114 1HD PRO 12 2HD PRO 12 3.944 7.605 -15.456 115 2HD PRO 12 3HD PRO 12 3.074 9.070 -14.970 116 QB PRO 12 QB PRO 12 1.446 5.599 -14.208 117 QG PRO 12 QG PRO 12 1.420 7.452 -15.589 118 QD PRO 12 QD PRO 12 3.509 8.337 -15.213 119 OH TYR 13 OH TYR 13 9.471 3.753 -13.492 120 H TYR 13 HN TYR 13 3.488 6.734 -10.555 121 HA TYR 13 HA TYR 13 4.381 3.880 -10.619 122 1HB TYR 13 2HB TYR 13 5.629 6.357 -9.479 123 2HB TYR 13 3HB TYR 13 5.884 4.843 -8.611 124 HD1 TYR 13 HD1 TYR 13 6.243 2.781 -10.478 125 HD2 TYR 13 HD2 TYR 13 7.397 6.850 -10.939 126 HE1 TYR 13 HE1 TYR 13 7.892 2.125 -12.158 127 HE2 TYR 13 HE2 TYR 13 9.062 6.182 -12.613 128 HH TYR 13 HH TYR 13 9.059 3.087 -14.052 129 QB TYR 13 QB TYR 13 5.757 5.600 -9.045 130 QR TYR 13 QR TYR 13 7.648 4.485 -11.547 131 H CYS 14 HN CYS 14 3.912 6.109 -7.807 132 HA CYS 14 HA CYS 14 2.832 4.047 -6.160 133 1HB CYS 14 2HB CYS 14 1.649 6.758 -5.840 134 2HB CYS 14 3HB CYS 14 2.181 5.627 -4.627 135 HG CYS 14 HG CYS 14 3.689 7.933 -5.012 136 QB CYS 14 QB CYS 14 1.915 6.193 -5.233 137 H VAL 15 HN VAL 15 1.462 6.005 -8.604 138 HA VAL 15 HA VAL 15 -1.258 5.892 -8.213 139 HB VAL 15 HB VAL 15 0.188 5.350 -10.837 140 1HG1 VAL 15 2HG1 VAL 15 -2.570 6.501 -10.265 141 2HG1 VAL 15 3HG1 VAL 15 -1.833 6.365 -11.859 142 3HG1 VAL 15 1HG1 VAL 15 -2.253 4.914 -10.956 143 1HG2 VAL 15 3HG2 VAL 15 -0.645 7.943 -9.459 144 2HG2 VAL 15 1HG2 VAL 15 1.011 7.397 -9.705 145 3HG2 VAL 15 2HG2 VAL 15 0.020 7.843 -11.088 146 QG1 VAL 15 QG1 VAL 15 -2.219 5.927 -11.027 147 QG2 VAL 15 QG2 VAL 15 0.128 7.728 -10.084 148 QQG VAL 15 QQG VAL 15 -1.045 6.827 -10.556 149 NH1 ARG 16 NH2 ARG 16 -3.934 -0.657 -10.959 150 NH2 ARG 16 NH1 ARG 16 -3.064 -0.940 -8.885 151 H ARG 16 HN ARG 16 0.815 3.169 -9.229 152 HA ARG 16 HA ARG 16 -1.533 1.443 -9.598 153 1HB ARG 16 2HB ARG 16 1.437 1.011 -9.679 154 2HB ARG 16 3HB ARG 16 0.390 -0.379 -9.477 155 1HG ARG 16 2HG ARG 16 0.296 1.636 -11.751 156 2HG ARG 16 3HG ARG 16 0.843 -0.028 -11.862 157 1HD ARG 16 2HD ARG 16 -1.968 1.022 -11.609 158 2HD ARG 16 3HD ARG 16 -1.336 -0.236 -12.658 159 HE ARG 16 HE ARG 16 -1.129 -1.615 -10.424 160 1HH1 ARG 16 2HH2 ARG 16 -3.788 -0.564 -11.940 161 2HH1 ARG 16 1HH2 ARG 16 -4.867 -0.630 -10.585 162 1HH2 ARG 16 2HH1 ARG 16 -2.265 -1.046 -8.294 163 2HH2 ARG 16 1HH1 ARG 16 -3.984 -0.904 -8.482 164 QB ARG 16 QB ARG 16 0.914 0.316 -9.578 165 QG ARG 16 QG ARG 16 0.569 0.804 -11.807 166 QD ARG 16 QD ARG 16 -1.652 0.393 -12.134 167 QH1 ARG 16 QH2 ARG 16 -4.327 -0.597 -11.262 168 QH2 ARG 16 QH1 ARG 16 -3.125 -0.975 -8.388 169 H ALA 17 HN ALA 17 1.116 1.539 -7.208 170 HA ALA 17 HA ALA 17 0.145 -0.420 -5.435 171 1HB ALA 17 2HB ALA 17 1.424 2.242 -4.708 172 2HB ALA 17 3HB ALA 17 1.314 0.839 -3.650 173 3HB ALA 17 1HB ALA 17 2.288 0.762 -5.106 174 QB ALA 17 QB ALA 17 1.675 1.281 -4.488 175 H LYS 18 HN LYS 18 -0.727 2.936 -5.717 176 HA LYS 18 HA LYS 18 -2.580 3.179 -3.589 177 1HB LYS 18 2HB LYS 18 -1.872 5.229 -4.569 178 2HB LYS 18 3HB LYS 18 -2.154 4.641 -6.199 179 1HG LYS 18 2HG LYS 18 -3.871 6.292 -5.551 180 2HG LYS 18 3HG LYS 18 -4.598 4.722 -5.831 181 1HD LYS 18 2HD LYS 18 -4.115 4.500 -3.166 182 2HD LYS 18 3HD LYS 18 -4.258 6.245 -3.279 183 1HE LYS 18 2HE LYS 18 -6.306 4.498 -4.611 184 2HE LYS 18 3HE LYS 18 -6.416 4.774 -2.884 185 1HZ LYS 18 1HZ LYS 18 -6.037 7.179 -4.407 186 2HZ LYS 18 2HZ LYS 18 -7.443 6.296 -4.843 187 3HZ LYS 18 3HZ LYS 18 -7.207 6.795 -3.220 188 QB LYS 18 QB LYS 18 -2.013 4.935 -5.384 189 QG LYS 18 QG LYS 18 -4.234 5.507 -5.691 190 QD LYS 18 QD LYS 18 -4.186 5.372 -3.222 191 QE LYS 18 QE LYS 18 -6.361 4.636 -3.748 192 QZ LYS 18 QZ LYS 18 -6.896 6.757 -4.157 193 H ASP 19 HN ASP 19 -3.239 2.762 -7.094 194 HA ASP 19 HA ASP 19 -5.995 2.255 -6.861 195 1HB ASP 19 2HB ASP 19 -5.056 2.438 -9.060 196 2HB ASP 19 3HB ASP 19 -3.955 1.104 -8.786 197 QB ASP 19 QB ASP 19 -4.506 1.771 -8.923 198 H LEU 20 HN LEU 20 -3.299 -0.047 -6.488 199 HA LEU 20 HA LEU 20 -4.979 -2.345 -6.145 200 1HB LEU 20 2HB LEU 20 -2.551 -2.575 -6.563 201 2HB LEU 20 3HB LEU 20 -2.199 -1.849 -5.011 202 HG LEU 20 HG LEU 20 -2.983 -3.738 -3.811 203 1HD1 LEU 20 3HD1 LEU 20 -4.253 -4.727 -6.400 204 2HD1 LEU 20 1HD1 LEU 20 -4.248 -5.599 -4.873 205 3HD1 LEU 20 2HD1 LEU 20 -5.130 -4.090 -5.011 206 1HD2 LEU 20 1HD2 LEU 20 -0.853 -4.152 -5.007 207 2HD2 LEU 20 2HD2 LEU 20 -1.773 -5.643 -4.873 208 3HD2 LEU 20 3HD2 LEU 20 -1.733 -4.770 -6.391 209 QB LEU 20 QB LEU 20 -2.375 -2.212 -5.787 210 QD1 LEU 20 QD1 LEU 20 -4.544 -4.805 -5.428 211 QD2 LEU 20 QD2 LEU 20 -1.453 -4.855 -5.424 212 QQD LEU 20 QQD LEU 20 -2.998 -4.830 -5.426 213 H ALA 21 HN ALA 21 -3.163 -0.605 -3.594 214 HA ALA 21 HA ALA 21 -4.413 -1.736 -1.359 215 1HB ALA 21 3HB ALA 21 -3.557 1.160 -1.714 216 2HB ALA 21 1HB ALA 21 -3.846 0.364 -0.172 217 3HB ALA 21 2HB ALA 21 -2.521 -0.166 -1.197 218 QB ALA 21 QB ALA 21 -3.308 0.453 -1.027 219 H GLU 22 HN GLU 22 -5.519 0.899 -3.377 220 HA GLU 22 HA GLU 22 -7.842 1.644 -1.877 221 1HB GLU 22 2HB GLU 22 -6.740 2.923 -3.703 222 2HB GLU 22 3HB GLU 22 -7.332 1.761 -4.858 223 1HG GLU 22 2HG GLU 22 -9.690 2.289 -3.956 224 2HG GLU 22 3HG GLU 22 -8.951 3.696 -3.191 225 QB GLU 22 QB GLU 22 -7.036 2.342 -4.281 226 QG GLU 22 QG GLU 22 -9.320 2.993 -3.573 227 H LYS 23 HN LYS 23 -7.469 -0.380 -4.755 228 HA LYS 23 HA LYS 23 -10.156 -1.191 -5.034 229 1HB LYS 23 2HB LYS 23 -7.716 -1.880 -6.242 230 2HB LYS 23 3HB LYS 23 -8.231 -3.380 -5.499 231 1HG LYS 23 2HG LYS 23 -9.630 -3.700 -7.218 232 2HG LYS 23 3HG LYS 23 -10.574 -2.332 -6.669 233 1HD LYS 23 2HD LYS 23 -8.134 -1.946 -8.434 234 2HD LYS 23 3HD LYS 23 -9.697 -2.342 -9.119 235 1HE LYS 23 2HE LYS 23 -9.720 -0.015 -9.236 236 2HE LYS 23 3HE LYS 23 -10.575 -0.298 -7.732 237 1HZ LYS 23 1HZ LYS 23 -7.868 -0.103 -7.085 238 2HZ LYS 23 2HZ LYS 23 -8.189 1.133 -8.191 239 3HZ LYS 23 3HZ LYS 23 -9.090 1.042 -6.768 240 QB LYS 23 QB LYS 23 -7.974 -2.630 -5.870 241 QG LYS 23 QG LYS 23 -10.102 -3.016 -6.943 242 QD LYS 23 QD LYS 23 -8.916 -2.144 -8.777 243 QE LYS 23 QE LYS 23 -10.148 -0.157 -8.484 244 QZ LYS 23 QZ LYS 23 -8.382 0.690 -7.348 245 H LEU 24 HN LEU 24 -7.495 -2.708 -3.303 246 HA LEU 24 HA LEU 24 -8.924 -4.796 -2.008 247 1HB LEU 24 2HB LEU 24 -6.608 -3.140 -0.935 248 2HB LEU 24 3HB LEU 24 -7.102 -4.699 -0.306 249 HG LEU 24 HG LEU 24 -6.195 -4.235 -3.171 250 1HD1 LEU 24 3HD1 LEU 24 -4.359 -3.863 -1.536 251 2HD1 LEU 24 1HD1 LEU 24 -4.707 -5.420 -0.797 252 3HD1 LEU 24 2HD1 LEU 24 -4.103 -5.346 -2.444 253 1HD2 LEU 24 1HD2 LEU 24 -7.702 -6.199 -2.842 254 2HD2 LEU 24 2HD2 LEU 24 -6.066 -6.703 -3.240 255 3HD2 LEU 24 3HD2 LEU 24 -6.631 -6.796 -1.579 256 QB LEU 24 QB LEU 24 -6.855 -3.920 -0.621 257 QD1 LEU 24 QD1 LEU 24 -4.390 -4.876 -1.592 258 QD2 LEU 24 QD2 LEU 24 -6.799 -6.566 -2.554 259 QQD LEU 24 QQD LEU 24 -5.595 -5.721 -2.073 260 H SER 25 HN SER 25 -8.400 -1.440 -1.138 261 HA SER 25 HA SER 25 -9.718 -1.418 1.365 262 1HB SER 25 2HB SER 25 -8.350 0.485 0.266 263 2HB SER 25 3HB SER 25 -9.847 0.902 -0.587 264 HG SER 25 HG SER 25 -9.945 0.393 2.176 265 QB SER 25 QB SER 25 -9.099 0.694 -0.161 266 H ASN 26 HN ASN 26 -11.012 -1.191 -1.882 267 HA ASN 26 HA ASN 26 -13.749 -0.653 -0.915 268 1HB ASN 26 2HB ASN 26 -12.888 0.236 -3.102 269 2HB ASN 26 3HB ASN 26 -12.818 -1.417 -3.705 270 1HD2 ASN 26 2HD2 ASN 26 -16.377 -1.685 -4.044 271 2HD2 ASN 26 1HD2 ASN 26 -14.944 -2.584 -3.912 272 QB ASN 26 QB ASN 26 -12.853 -0.590 -3.404 273 QD2 ASN 26 QD2 ASN 26 -15.661 -2.135 -3.978 274 H GLU 27 HN GLU 27 -11.864 -3.407 -1.953 275 HA GLU 27 HA GLU 27 -14.086 -5.231 -2.260 276 1HB GLU 27 2HB GLU 27 -11.163 -5.842 -1.655 277 2HB GLU 27 3HB GLU 27 -12.355 -7.022 -2.173 278 1HG GLU 27 2HG GLU 27 -12.626 -5.893 -4.320 279 2HG GLU 27 3HG GLU 27 -11.572 -4.584 -3.807 280 QB GLU 27 QB GLU 27 -11.759 -6.432 -1.914 281 QG GLU 27 QG GLU 27 -12.099 -5.238 -4.063 282 NH1 ARG 28 NH1 ARG 28 -9.455 -6.969 4.921 283 NH2 ARG 28 NH2 ARG 28 -9.454 -9.100 5.719 284 H ARG 28 HN ARG 28 -11.792 -4.700 0.441 285 HA ARG 28 HA ARG 28 -13.599 -6.402 2.134 286 1HB ARG 28 2HB ARG 28 -10.772 -5.512 2.761 287 2HB ARG 28 3HB ARG 28 -11.711 -6.727 3.614 288 1HG ARG 28 2HG ARG 28 -11.707 -8.147 1.578 289 2HG ARG 28 3HG ARG 28 -10.738 -6.939 0.744 290 1HD ARG 28 2HD ARG 28 -9.254 -8.676 1.609 291 2HD ARG 28 3HD ARG 28 -8.970 -7.190 2.502 292 HE ARG 28 HE ARG 28 -10.484 -9.582 3.540 293 1HH1 ARG 28 2HH1 ARG 28 -9.644 -6.350 4.174 294 2HH1 ARG 28 1HH1 ARG 28 -9.122 -6.605 5.809 295 1HH2 ARG 28 2HH2 ARG 28 -9.618 -10.087 5.558 296 2HH2 ARG 28 1HH2 ARG 28 -9.156 -8.775 6.626 297 QB ARG 28 QB ARG 28 -11.241 -6.120 3.188 298 QG ARG 28 QG ARG 28 -11.223 -7.543 1.161 299 QD ARG 28 QD ARG 28 -9.112 -7.933 2.056 300 QH1 ARG 28 QH1 ARG 28 -9.383 -6.478 4.992 301 QH2 ARG 28 QH2 ARG 28 -9.387 -9.431 6.092 302 H ASP 29 HN ASP 29 -13.836 -5.736 4.378 303 HA ASP 29 HA ASP 29 -14.239 -2.797 4.603 304 1HB ASP 29 2HB ASP 29 -14.855 -4.580 6.916 305 2HB ASP 29 3HB ASP 29 -15.842 -3.322 6.188 306 QB ASP 29 QB ASP 29 -15.348 -3.951 6.552 307 H ASP 30 HN ASP 30 -12.428 -5.453 5.871 308 HA ASP 30 HA ASP 30 -11.040 -3.924 7.951 309 1HB ASP 30 2HB ASP 30 -11.459 -6.222 8.457 310 2HB ASP 30 3HB ASP 30 -10.981 -6.757 6.859 311 QB ASP 30 QB ASP 30 -11.220 -6.489 7.658 312 H PHE 31 HN PHE 31 -10.779 -2.743 5.411 313 HA PHE 31 HA PHE 31 -7.849 -2.959 5.082 314 1HB PHE 31 2HB PHE 31 -9.072 -4.516 3.435 315 2HB PHE 31 3HB PHE 31 -9.592 -3.056 2.612 316 HD1 PHE 31 1HD PHE 31 -7.708 -1.363 1.945 317 HD2 PHE 31 2HD PHE 31 -6.903 -5.384 3.080 318 HE1 PHE 31 1HE PHE 31 -5.505 -1.219 0.899 319 HE2 PHE 31 2HE PHE 31 -4.679 -5.208 2.071 320 HZ PHE 31 HZ PHE 31 -3.993 -3.152 0.944 321 QB PHE 31 QB PHE 31 -9.332 -3.786 3.024 322 QR PHE 31 QR PHE 31 -6.199 -3.294 1.999 323 H GLN 32 HN GLN 32 -7.651 -0.900 5.894 324 HA GLN 32 HA GLN 32 -8.864 1.322 4.317 325 1HB GLN 32 2HB GLN 32 -7.410 1.202 6.998 326 2HB GLN 32 3HB GLN 32 -7.683 2.725 6.164 327 1HG GLN 32 2HG GLN 32 -9.462 2.353 7.801 328 2HG GLN 32 3HG GLN 32 -10.131 2.278 6.179 329 1HE2 GLN 32 2HE2 GLN 32 -11.275 -1.008 6.550 330 2HE2 GLN 32 1HE2 GLN 32 -11.174 0.375 5.572 331 QB GLN 32 QB GLN 32 -7.546 1.963 6.581 332 QG GLN 32 QG GLN 32 -9.796 2.316 6.990 333 QE2 GLN 32 QE2 GLN 32 -11.225 -0.316 6.061 334 OH TYR 33 OH TYR 33 -7.648 6.664 -1.535 335 H TYR 33 HN TYR 33 -7.304 2.916 3.416 336 HA TYR 33 HA TYR 33 -4.519 1.844 3.230 337 1HB TYR 33 2HB TYR 33 -4.444 2.082 0.890 338 2HB TYR 33 3HB TYR 33 -6.036 1.395 1.161 339 HD1 TYR 33 HD2 TYR 33 -4.204 4.558 0.487 340 HD2 TYR 33 HD1 TYR 33 -8.024 2.669 0.577 341 HE1 TYR 33 HE2 TYR 33 -5.176 6.473 -0.685 342 HE2 TYR 33 HE1 TYR 33 -8.973 4.546 -0.681 343 HH TYR 33 HH TYR 33 -8.513 6.877 -1.164 344 QB TYR 33 QB TYR 33 -5.240 1.738 1.026 345 QR TYR 33 QR TYR 33 -6.594 4.561 -0.075 346 H GLN 34 HN GLN 34 -2.948 3.508 2.642 347 HA GLN 34 HA GLN 34 -3.826 6.317 2.940 348 1HB GLN 34 2HB GLN 34 -3.436 5.922 5.228 349 2HB GLN 34 3HB GLN 34 -2.145 4.778 4.909 350 1HG GLN 34 2HG GLN 34 -0.692 6.677 4.145 351 2HG GLN 34 3HG GLN 34 -1.997 7.793 4.514 352 1HE2 GLN 34 2HE2 GLN 34 -1.153 6.104 8.031 353 2HE2 GLN 34 1HE2 GLN 34 -2.066 5.321 6.835 354 QB GLN 34 QB GLN 34 -2.791 5.350 5.068 355 QG GLN 34 QG GLN 34 -1.345 7.235 4.329 356 QE2 GLN 34 QE2 GLN 34 -1.609 5.713 7.433 357 OH TYR 35 OH TYR 35 2.929 10.147 -3.862 358 H TYR 35 HN TYR 35 -2.226 7.797 2.181 359 HA TYR 35 HA TYR 35 0.009 6.515 0.641 360 1HB TYR 35 2HB TYR 35 -1.678 7.317 -0.927 361 2HB TYR 35 3HB TYR 35 -1.770 8.869 -0.107 362 HD1 TYR 35 HD1 TYR 35 0.286 10.414 -0.168 363 HD2 TYR 35 HD2 TYR 35 0.005 6.922 -2.593 364 HE1 TYR 35 HE1 TYR 35 2.017 11.305 -1.661 365 HE2 TYR 35 HE2 TYR 35 1.723 7.831 -4.072 366 HH TYR 35 HH TYR 35 3.538 10.724 -3.364 367 QB TYR 35 QB TYR 35 -1.724 8.093 -0.517 368 QR TYR 35 QR TYR 35 1.008 9.118 -2.124 369 H VAL 36 HN VAL 36 1.948 7.183 1.375 370 HA VAL 36 HA VAL 36 2.061 9.829 2.778 371 HB VAL 36 HB VAL 36 3.916 7.424 3.127 372 1HG1 VAL 36 1HG1 VAL 36 4.933 9.654 3.639 373 2HG1 VAL 36 2HG1 VAL 36 3.605 9.982 4.751 374 3HG1 VAL 36 3HG1 VAL 36 4.733 8.678 5.091 375 1HG2 VAL 36 2HG2 VAL 36 1.633 6.962 3.991 376 2HG2 VAL 36 3HG2 VAL 36 2.787 7.115 5.309 377 3HG2 VAL 36 1HG2 VAL 36 1.691 8.441 4.938 378 QG1 VAL 36 QG1 VAL 36 4.424 9.438 4.494 379 QG2 VAL 36 QG2 VAL 36 2.037 7.506 4.746 380 QQG VAL 36 QQG VAL 36 3.230 8.472 4.620 381 H ASP 37 HN ASP 37 3.765 11.173 2.113 382 HA ASP 37 HA ASP 37 5.010 10.287 -0.475 383 1HB ASP 37 2HB ASP 37 3.415 12.378 -0.352 384 2HB ASP 37 3HB ASP 37 4.788 13.160 0.417 385 QB ASP 37 QB ASP 37 4.101 12.769 0.032 386 H ILE 38 HN ILE 38 7.191 11.011 -0.829 387 HA ILE 38 HA ILE 38 8.683 11.034 1.708 388 HB ILE 38 HB ILE 38 10.670 10.707 0.340 389 1HG1 ILE 38 2HG1 ILE 38 8.880 11.317 -2.049 390 2HG1 ILE 38 3HG1 ILE 38 10.152 12.360 -1.434 391 1HG2 ILE 38 1HG2 ILE 38 9.119 8.764 0.651 392 2HG2 ILE 38 2HG2 ILE 38 8.346 9.156 -0.881 393 3HG2 ILE 38 3HG2 ILE 38 10.031 8.645 -0.844 394 1HD1 ILE 38 3HD1 ILE 38 11.828 10.588 -1.893 395 2HD1 ILE 38 1HD1 ILE 38 10.556 9.565 -2.550 396 3HD1 ILE 38 2HD1 ILE 38 10.978 11.068 -3.356 397 QG1 ILE 38 QG1 ILE 38 9.516 11.838 -1.741 398 QG2 ILE 38 QG2 ILE 38 9.165 8.855 -0.358 399 QD1 ILE 38 QD1 ILE 38 11.121 10.407 -2.600 400 NH1 ARG 39 NH1 ARG 39 11.333 18.836 0.284 401 NH2 ARG 39 NH2 ARG 39 10.253 17.675 1.936 402 H ARG 39 HN ARG 39 7.760 13.220 -0.803 403 HA ARG 39 HA ARG 39 9.596 15.325 0.204 404 1HB ARG 39 2HB ARG 39 9.618 15.290 -2.133 405 2HB ARG 39 3HB ARG 39 7.926 14.873 -2.247 406 1HG ARG 39 2HG ARG 39 8.179 17.123 -3.047 407 2HG ARG 39 3HG ARG 39 7.347 17.219 -1.510 408 1HD ARG 39 2HD ARG 39 10.353 17.518 -1.705 409 2HD ARG 39 3HD ARG 39 9.269 18.891 -1.951 410 HE ARG 39 HE ARG 39 8.345 18.083 0.421 411 1HH1 ARG 39 2HH1 ARG 39 11.302 19.242 -0.632 412 2HH1 ARG 39 1HH1 ARG 39 12.159 18.932 0.843 413 1HH2 ARG 39 2HH2 ARG 39 9.415 17.198 2.229 414 2HH2 ARG 39 1HH2 ARG 39 11.032 17.749 2.558 415 QB ARG 39 QB ARG 39 8.772 15.081 -2.190 416 QG ARG 39 QG ARG 39 7.763 17.171 -2.278 417 QD ARG 39 QD ARG 39 9.811 18.205 -1.828 418 QH1 ARG 39 QH1 ARG 39 11.730 19.087 0.105 419 QH2 ARG 39 QH2 ARG 39 10.223 17.474 2.394 420 H ALA 40 HN ALA 40 6.126 15.044 -0.607 421 HA ALA 40 HA ALA 40 5.229 17.430 0.574 422 1HB ALA 40 3HB ALA 40 3.726 15.908 -0.681 423 2HB ALA 40 1HB ALA 40 3.759 14.775 0.665 424 3HB ALA 40 2HB ALA 40 3.038 16.362 0.873 425 QB ALA 40 QB ALA 40 3.508 15.682 0.286 426 H GLU 41 HN GLU 41 6.104 14.426 2.153 427 HA GLU 41 HA GLU 41 5.226 15.452 4.788 428 1HB GLU 41 2HB GLU 41 6.531 12.848 3.906 429 2HB GLU 41 3HB GLU 41 6.131 13.218 5.576 430 1HG GLU 41 2HG GLU 41 3.944 13.575 3.570 431 2HG GLU 41 3HG GLU 41 4.419 11.923 3.941 432 QB GLU 41 QB GLU 41 6.331 13.033 4.741 433 QG GLU 41 QG GLU 41 4.181 12.749 3.756 434 H GLY 42 HN GLY 42 8.238 14.490 3.148 435 1HA GLY 42 1HA GLY 42 10.310 15.753 3.404 436 2HA GLY 42 2HA GLY 42 9.720 16.356 4.955 437 QA GLY 42 QA GLY 42 10.015 16.055 4.179 438 H ILE 43 HN ILE 43 10.127 13.199 3.436 439 HA ILE 43 HA ILE 43 11.218 12.174 6.009 440 HB ILE 43 HB ILE 43 10.403 10.489 3.613 441 1HG1 ILE 43 2HG1 ILE 43 8.606 11.429 5.891 442 2HG1 ILE 43 3HG1 ILE 43 8.535 12.070 4.258 443 1HG2 ILE 43 1HG2 ILE 43 11.646 9.387 5.481 444 2HG2 ILE 43 2HG2 ILE 43 10.439 9.975 6.622 445 3HG2 ILE 43 3HG2 ILE 43 9.995 8.799 5.393 446 1HD1 ILE 43 2HD1 ILE 43 7.994 9.798 3.392 447 2HD1 ILE 43 3HD1 ILE 43 8.007 9.186 5.044 448 3HD1 ILE 43 1HD1 ILE 43 6.806 10.370 4.553 449 QG1 ILE 43 QG1 ILE 43 8.571 11.749 5.074 450 QG2 ILE 43 QG2 ILE 43 10.693 9.387 5.832 451 QD1 ILE 43 QD1 ILE 43 7.603 9.785 4.330 452 H THR 44 HN THR 44 13.058 10.656 5.818 453 HA THR 44 HA THR 44 14.982 11.576 3.716 454 HB THR 44 HB THR 44 16.741 11.136 5.413 455 HG1 THR 44 1HG THR 44 14.862 9.457 6.243 456 1HG2 THR 44 1HG2 THR 44 14.337 12.427 6.811 457 2HG2 THR 44 2HG2 THR 44 16.027 12.627 7.258 458 3HG2 THR 44 3HG2 THR 44 15.430 13.309 5.747 459 QG2 THR 44 QG2 THR 44 15.265 12.788 6.605 460 H LYS 45 HN LYS 45 16.322 10.095 2.702 461 HA LYS 45 HA LYS 45 15.384 7.530 2.059 462 1HB LYS 45 2HB LYS 45 17.180 8.374 0.721 463 2HB LYS 45 3HB LYS 45 18.183 8.723 2.125 464 1HG LYS 45 2HG LYS 45 18.455 6.306 2.555 465 2HG LYS 45 3HG LYS 45 17.399 5.944 1.203 466 1HD LYS 45 2HD LYS 45 18.987 6.851 -0.379 467 2HD LYS 45 3HD LYS 45 19.962 7.549 0.908 468 1HE LYS 45 2HE LYS 45 19.527 4.566 0.467 469 2HE LYS 45 3HE LYS 45 20.974 5.455 0.020 470 1HZ LYS 45 3HZ LYS 45 20.430 6.036 2.696 471 2HZ LYS 45 1HZ LYS 45 20.303 4.342 2.521 472 3HZ LYS 45 2HZ LYS 45 21.729 5.158 2.064 473 QB LYS 45 QB LYS 45 17.682 8.548 1.423 474 QG LYS 45 QG LYS 45 17.927 6.125 1.879 475 QD LYS 45 QD LYS 45 19.474 7.200 0.265 476 QE LYS 45 QE LYS 45 20.251 5.011 0.243 477 QZ LYS 45 QZ LYS 45 20.821 5.179 2.427 478 H GLU 46 HN GLU 46 17.879 8.377 4.396 479 HA GLU 46 HA GLU 46 18.444 5.910 5.522 480 1HB GLU 46 2HB GLU 46 18.254 8.664 6.787 481 2HB GLU 46 3HB GLU 46 18.859 7.276 7.676 482 1HG GLU 46 2HG GLU 46 20.671 8.660 6.560 483 2HG GLU 46 3HG GLU 46 20.684 6.964 6.105 484 QB GLU 46 QB GLU 46 18.557 7.970 7.231 485 QG GLU 46 QG GLU 46 20.678 7.812 6.332 486 H ASP 47 HN ASP 47 16.018 8.144 6.951 487 HA ASP 47 HA ASP 47 14.909 6.393 8.833 488 1HB ASP 47 2HB ASP 47 14.279 8.788 8.619 489 2HB ASP 47 3HB ASP 47 13.471 8.439 7.100 490 QB ASP 47 QB ASP 47 13.875 8.613 7.859 491 H LEU 48 HN LEU 48 13.709 6.925 5.526 492 HA LEU 48 HA LEU 48 11.681 4.939 5.565 493 1HB LEU 48 2HB LEU 48 13.012 6.586 3.575 494 2HB LEU 48 3HB LEU 48 12.737 4.988 2.915 495 HG LEU 48 HG LEU 48 10.621 6.762 4.213 496 1HD1 LEU 48 1HD1 LEU 48 11.061 5.944 1.320 497 2HD1 LEU 48 2HD1 LEU 48 9.707 6.903 1.909 498 3HD1 LEU 48 3HD1 LEU 48 11.342 7.552 1.978 499 1HD2 LEU 48 2HD2 LEU 48 10.341 4.072 2.806 500 2HD2 LEU 48 3HD2 LEU 48 10.117 4.341 4.532 501 3HD2 LEU 48 1HD2 LEU 48 9.010 5.068 3.375 502 QB LEU 48 QB LEU 48 12.874 5.787 3.245 503 QD1 LEU 48 QD1 LEU 48 10.703 6.800 1.736 504 QD2 LEU 48 QD2 LEU 48 9.823 4.494 3.571 505 QQD LEU 48 QQD LEU 48 10.263 5.647 2.653 506 H GLN 49 HN GLN 49 14.989 4.696 4.444 507 HA GLN 49 HA GLN 49 15.087 1.997 3.667 508 1HB GLN 49 2HB GLN 49 16.976 3.562 3.342 509 2HB GLN 49 3HB GLN 49 17.194 3.698 5.076 510 1HG GLN 49 2HG GLN 49 17.634 1.190 5.128 511 2HG GLN 49 3HG GLN 49 17.635 1.225 3.370 512 1HE2 GLN 49 2HE2 GLN 49 20.961 2.257 5.306 513 2HE2 GLN 49 1HE2 GLN 49 19.671 1.402 6.007 514 QB GLN 49 QB GLN 49 17.085 3.630 4.209 515 QG GLN 49 QG GLN 49 17.634 1.207 4.249 516 QE2 GLN 49 QE2 GLN 49 20.316 1.829 5.656 517 H GLN 50 HN GLN 50 15.910 3.445 6.755 518 HA GLN 50 HA GLN 50 16.317 1.181 8.341 519 1HB GLN 50 2HB GLN 50 16.631 3.619 8.970 520 2HB GLN 50 3HB GLN 50 14.906 3.761 9.139 521 1HG GLN 50 2HG GLN 50 16.414 1.641 10.673 522 2HG GLN 50 3HG GLN 50 16.311 3.290 11.271 523 1HE2 GLN 50 2HE2 GLN 50 12.493 2.537 11.042 524 2HE2 GLN 50 1HE2 GLN 50 13.435 3.258 9.836 525 QB GLN 50 QB GLN 50 15.768 3.690 9.054 526 QG GLN 50 QG GLN 50 16.362 2.466 10.972 527 QE2 GLN 50 QE2 GLN 50 12.964 2.897 10.439 528 H LYS 51 HN LYS 51 13.366 2.858 7.567 529 HA LYS 51 HA LYS 51 11.542 1.291 9.082 530 1HB LYS 51 2HB LYS 51 11.425 3.556 7.488 531 2HB LYS 51 3HB LYS 51 10.523 2.407 6.532 532 1HG LYS 51 2HG LYS 51 9.982 2.885 9.477 533 2HG LYS 51 3HG LYS 51 9.147 3.745 8.189 534 1HD LYS 51 2HD LYS 51 8.302 1.656 7.267 535 2HD LYS 51 3HD LYS 51 9.241 0.719 8.426 536 1HE LYS 51 2HE LYS 51 7.970 1.734 10.283 537 2HE LYS 51 3HE LYS 51 7.028 2.667 9.127 538 1HZ LYS 51 2HZ LYS 51 6.948 -0.037 8.342 539 2HZ LYS 51 3HZ LYS 51 6.591 0.022 9.998 540 3HZ LYS 51 1HZ LYS 51 5.675 0.938 8.892 541 QB LYS 51 QB LYS 51 10.974 2.981 7.010 542 QG LYS 51 QG LYS 51 9.564 3.315 8.833 543 QD LYS 51 QD LYS 51 8.771 1.187 7.846 544 QE LYS 51 QE LYS 51 7.499 2.201 9.705 545 QZ LYS 51 QZ LYS 51 6.405 0.307 9.078 546 H ALA 52 HN ALA 52 12.447 1.052 5.691 547 HA ALA 52 HA ALA 52 10.783 -1.200 5.071 548 1HB ALA 52 2HB ALA 52 11.638 0.366 3.355 549 2HB ALA 52 3HB ALA 52 13.281 -0.169 3.679 550 3HB ALA 52 1HB ALA 52 12.113 -1.280 2.981 551 QB ALA 52 QB ALA 52 12.344 -0.361 3.339 552 H GLY 53 HN GLY 53 14.258 -0.977 5.737 553 1HA GLY 53 1HA GLY 53 15.439 -2.759 6.932 554 2HA GLY 53 2HA GLY 53 14.257 -3.914 6.306 555 QA GLY 53 QA GLY 53 14.848 -3.336 6.619 556 H LYS 54 HN LYS 54 14.198 -2.782 3.689 557 HA LYS 54 HA LYS 54 16.531 -4.102 2.525 558 1HB LYS 54 2HB LYS 54 14.250 -4.375 1.571 559 2HB LYS 54 3HB LYS 54 14.170 -2.647 1.262 560 1HG LYS 54 2HG LYS 54 16.018 -2.806 -0.350 561 2HG LYS 54 3HG LYS 54 16.230 -4.515 0.029 562 1HD LYS 54 2HD LYS 54 13.948 -5.002 -0.783 563 2HD LYS 54 3HD LYS 54 13.690 -3.293 -1.114 564 1HE LYS 54 2HE LYS 54 15.323 -3.275 -2.868 565 2HE LYS 54 3HE LYS 54 15.952 -4.852 -2.403 566 1HZ LYS 54 2HZ LYS 54 13.201 -5.133 -2.939 567 2HZ LYS 54 3HZ LYS 54 13.902 -4.252 -4.216 568 3HZ LYS 54 1HZ LYS 54 14.516 -5.778 -3.795 569 QB LYS 54 QB LYS 54 14.210 -3.511 1.417 570 QG LYS 54 QG LYS 54 16.124 -3.661 -0.161 571 QD LYS 54 QD LYS 54 13.819 -4.147 -0.948 572 QE LYS 54 QE LYS 54 15.638 -4.064 -2.635 573 QZ LYS 54 QZ LYS 54 13.873 -5.054 -3.650 574 HA PRO 55 HA PRO 55 19.013 -0.376 1.641 575 1HB PRO 55 2HB PRO 55 19.380 -2.016 -0.855 576 2HB PRO 55 3HB PRO 55 20.588 -1.145 0.103 577 1HG PRO 55 2HG PRO 55 20.290 -3.847 0.305 578 2HG PRO 55 3HG PRO 55 20.752 -2.861 1.697 579 1HD PRO 55 2HD PRO 55 18.142 -4.184 1.113 580 2HD PRO 55 3HD PRO 55 18.823 -3.698 2.680 581 QB PRO 55 QB PRO 55 19.984 -1.581 -0.376 582 QG PRO 55 QG PRO 55 20.521 -3.354 1.001 583 QD PRO 55 QD PRO 55 18.483 -3.941 1.897 584 H VAL 56 HN VAL 56 17.400 1.070 1.433 585 HA VAL 56 HA VAL 56 15.559 2.161 0.633 586 HB VAL 56 HB VAL 56 16.361 3.115 -1.677 587 1HG1 VAL 56 2HG1 VAL 56 16.199 4.332 0.434 588 2HG1 VAL 56 3HG1 VAL 56 17.722 3.625 0.967 589 3HG1 VAL 56 1HG1 VAL 56 17.694 4.736 -0.406 590 1HG2 VAL 56 1HG2 VAL 56 18.166 1.459 -2.023 591 2HG2 VAL 56 2HG2 VAL 56 18.819 3.084 -1.857 592 3HG2 VAL 56 3HG2 VAL 56 18.897 1.966 -0.504 593 QG1 VAL 56 QG1 VAL 56 17.205 4.231 0.332 594 QG2 VAL 56 QG2 VAL 56 18.627 2.170 -1.461 595 QQG VAL 56 QQG VAL 56 17.916 3.200 -0.565 596 H GLU 57 HN GLU 57 16.442 1.390 -2.560 597 HA GLU 57 HA GLU 57 15.406 -0.154 -4.123 598 1HB GLU 57 2HB GLU 57 13.875 -1.132 -2.308 599 2HB GLU 57 3HB GLU 57 12.862 0.282 -2.481 600 1HG GLU 57 2HG GLU 57 12.205 -1.898 -3.758 601 2HG GLU 57 3HG GLU 57 12.075 -0.371 -4.599 602 QB GLU 57 QB GLU 57 13.369 -0.425 -2.394 603 QG GLU 57 QG GLU 57 12.140 -1.134 -4.178 604 H THR 58 HN THR 58 13.112 0.707 -5.391 605 HA THR 58 HA THR 58 13.667 3.608 -5.752 606 HB THR 58 HB THR 58 12.442 3.093 -8.004 607 HG1 THR 58 1HG THR 58 13.036 0.428 -7.298 608 1HG2 THR 58 2HG2 THR 58 14.872 1.355 -7.340 609 2HG2 THR 58 3HG2 THR 58 14.359 1.843 -8.955 610 3HG2 THR 58 1HG2 THR 58 14.983 3.042 -7.829 611 QG2 THR 58 QG2 THR 58 14.738 2.080 -8.041 612 H VAL 59 HN VAL 59 11.034 3.966 -7.107 613 HA VAL 59 HA VAL 59 9.253 3.628 -4.733 614 HB VAL 59 HB VAL 59 8.172 5.795 -5.395 615 1HG1 VAL 59 3HG1 VAL 59 11.164 5.950 -4.863 616 2HG1 VAL 59 1HG1 VAL 59 10.015 7.257 -4.588 617 3HG1 VAL 59 2HG1 VAL 59 9.912 5.777 -3.637 618 1HG2 VAL 59 1HG2 VAL 59 10.522 5.998 -7.303 619 2HG2 VAL 59 2HG2 VAL 59 8.841 5.790 -7.775 620 3HG2 VAL 59 3HG2 VAL 59 9.358 7.273 -6.985 621 QG1 VAL 59 QG1 VAL 59 10.364 6.328 -4.363 622 QG2 VAL 59 QG2 VAL 59 9.574 6.354 -7.354 623 QQG VAL 59 QQG VAL 59 9.969 6.341 -5.859 624 HA PRO 60 HA PRO 60 7.200 4.181 -4.422 625 1HB PRO 60 2HB PRO 60 4.739 3.076 -4.143 626 2HB PRO 60 3HB PRO 60 5.025 4.416 -5.262 627 1HG PRO 60 2HG PRO 60 4.600 1.506 -5.876 628 2HG PRO 60 3HG PRO 60 4.215 2.911 -6.867 629 1HD PRO 60 2HD PRO 60 6.527 1.231 -7.086 630 2HD PRO 60 3HD PRO 60 6.202 2.724 -7.993 631 QB PRO 60 QB PRO 60 4.882 3.746 -4.702 632 QG PRO 60 QG PRO 60 4.407 2.209 -6.372 633 QD PRO 60 QD PRO 60 6.365 1.977 -7.539 634 H GLN 61 HN GLN 61 6.871 3.224 -2.224 635 HA GLN 61 HA GLN 61 7.545 0.298 -2.195 636 1HB GLN 61 2HB GLN 61 8.207 2.478 -0.178 637 2HB GLN 61 3HB GLN 61 8.565 0.765 0.045 638 1HG GLN 61 2HG GLN 61 9.749 0.931 -2.275 639 2HG GLN 61 3HG GLN 61 9.693 2.670 -2.022 640 1HE2 GLN 61 2HE2 GLN 61 12.887 2.070 -0.553 641 2HE2 GLN 61 1HE2 GLN 61 12.070 2.589 -1.961 642 QB GLN 61 QB GLN 61 8.386 1.622 -0.067 643 QG GLN 61 QG GLN 61 9.721 1.800 -2.149 644 QE2 GLN 61 QE2 GLN 61 12.479 2.330 -1.257 645 H ILE 62 HN ILE 62 6.404 -1.003 -0.613 646 HA ILE 62 HA ILE 62 3.929 0.340 0.388 647 HB ILE 62 HB ILE 62 4.136 -2.520 -0.614 648 1HG1 ILE 62 2HG1 ILE 62 3.324 0.087 -1.939 649 2HG1 ILE 62 3HG1 ILE 62 4.468 -1.114 -2.512 650 1HG2 ILE 62 2HG2 ILE 62 2.343 -2.105 1.069 651 2HG2 ILE 62 3HG2 ILE 62 1.740 -0.768 0.100 652 3HG2 ILE 62 1HG2 ILE 62 1.649 -2.413 -0.516 653 1HD1 ILE 62 3HD1 ILE 62 2.608 -2.717 -2.846 654 2HD1 ILE 62 1HD1 ILE 62 1.461 -1.496 -2.314 655 3HD1 ILE 62 2HD1 ILE 62 2.381 -1.255 -3.791 656 QG1 ILE 62 QG1 ILE 62 3.896 -0.514 -2.225 657 QG2 ILE 62 QG2 ILE 62 1.911 -1.762 0.218 658 QD1 ILE 62 QD1 ILE 62 2.150 -1.823 -2.984 659 H PHE 63 HN PHE 63 3.150 -0.161 2.293 660 HA PHE 63 HA PHE 63 4.601 -2.157 3.984 661 1HB PHE 63 2HB PHE 63 4.013 0.728 4.725 662 2HB PHE 63 3HB PHE 63 4.441 -0.499 5.901 663 HD1 PHE 63 2HD PHE 63 5.772 0.985 2.693 664 HD2 PHE 63 1HD PHE 63 6.685 -0.815 6.443 665 HE1 PHE 63 2HE PHE 63 8.151 1.496 2.362 666 HE2 PHE 63 1HE PHE 63 9.063 -0.271 6.120 667 HZ PHE 63 HZ PHE 63 9.792 0.922 4.107 668 QB PHE 63 QB PHE 63 4.227 0.115 5.313 669 QR PHE 63 QR PHE 63 7.418 0.349 4.405 670 H VAL 64 HN VAL 64 3.310 -2.756 5.864 671 HA VAL 64 HA VAL 64 0.383 -2.198 5.481 672 HB VAL 64 HB VAL 64 1.746 -4.865 6.008 673 1HG1 VAL 64 2HG1 VAL 64 -1.212 -4.172 6.017 674 2HG1 VAL 64 3HG1 VAL 64 -0.552 -5.803 6.105 675 3HG1 VAL 64 1HG1 VAL 64 -0.265 -4.669 7.418 676 1HG2 VAL 64 1HG2 VAL 64 1.663 -4.098 3.640 677 2HG2 VAL 64 2HG2 VAL 64 0.656 -5.515 3.897 678 3HG2 VAL 64 3HG2 VAL 64 -0.085 -3.924 3.770 679 QG1 VAL 64 QG1 VAL 64 -0.677 -4.881 6.513 680 QG2 VAL 64 QG2 VAL 64 0.745 -4.512 3.769 681 QQG VAL 64 QQG VAL 64 0.034 -4.697 5.141 682 H ASP 65 HN ASP 65 -0.620 -1.601 7.334 683 HA ASP 65 HA ASP 65 -0.788 -0.849 9.522 684 1HB ASP 65 2HB ASP 65 -0.691 -3.614 9.411 685 2HB ASP 65 3HB ASP 65 0.446 -3.233 10.697 686 QB ASP 65 QB ASP 65 -0.122 -3.424 10.054 687 H GLN 66 HN GLN 66 2.055 -2.741 10.071 688 HA GLN 66 HA GLN 66 3.660 -0.287 10.444 689 1HB GLN 66 2HB GLN 66 4.611 -1.431 12.572 690 2HB GLN 66 3HB GLN 66 3.037 -0.662 12.681 691 1HG GLN 66 2HG GLN 66 2.259 -3.174 11.945 692 2HG GLN 66 3HG GLN 66 3.743 -3.556 12.804 693 1HE2 GLN 66 2HE2 GLN 66 0.506 -2.283 14.859 694 2HE2 GLN 66 1HE2 GLN 66 0.445 -2.458 13.177 695 QB GLN 66 QB GLN 66 3.824 -1.047 12.626 696 QG GLN 66 QG GLN 66 3.001 -3.365 12.375 697 QE2 GLN 66 QE2 GLN 66 0.475 -2.370 14.018 698 H GLN 67 HN GLN 67 3.420 -3.449 9.292 699 HA GLN 67 HA GLN 67 6.285 -4.047 9.347 700 1HB GLN 67 2HB GLN 67 5.512 -6.106 8.105 701 2HB GLN 67 3HB GLN 67 4.789 -5.923 9.679 702 1HG GLN 67 2HG GLN 67 3.302 -4.727 7.384 703 2HG GLN 67 3HG GLN 67 3.349 -6.479 7.453 704 1HE2 GLN 67 2HE2 GLN 67 0.642 -6.353 9.719 705 2HE2 GLN 67 1HE2 GLN 67 1.268 -7.005 8.283 706 QB GLN 67 QB GLN 67 5.150 -6.015 8.892 707 QG GLN 67 QG GLN 67 3.325 -5.603 7.418 708 QE2 GLN 67 QE2 GLN 67 0.955 -6.679 9.001 709 H HIS 68 HN HIS 68 7.244 -4.818 7.235 710 HA HIS 68 HA HIS 68 6.578 -2.861 5.068 711 1HB HIS 68 2HB HIS 68 8.783 -2.487 6.055 712 2HB HIS 68 3HB HIS 68 9.196 -4.167 5.862 713 HD1 HIS 68 HD1 HIS 68 11.060 -3.920 4.283 714 HD2 HIS 68 HD2 HIS 68 7.781 -1.839 2.909 715 HE1 HIS 68 HE1 HIS 68 11.541 -3.313 1.884 716 QB HIS 68 QB HIS 68 8.990 -3.327 5.958 717 H ILE 69 HN ILE 69 6.281 -3.688 2.974 718 HA ILE 69 HA ILE 69 6.431 -6.683 2.816 719 HB ILE 69 HB ILE 69 4.776 -4.902 1.000 720 1HG1 ILE 69 2HG1 ILE 69 3.896 -4.525 3.236 721 2HG1 ILE 69 3HG1 ILE 69 2.805 -5.608 2.393 722 1HG2 ILE 69 2HG2 ILE 69 4.720 -7.872 1.660 723 2HG2 ILE 69 3HG2 ILE 69 3.583 -7.066 0.594 724 3HG2 ILE 69 1HG2 ILE 69 5.283 -7.154 0.158 725 1HD1 ILE 69 3HD1 ILE 69 3.832 -7.548 3.561 726 2HD1 ILE 69 1HD1 ILE 69 4.923 -6.463 4.408 727 3HD1 ILE 69 2HD1 ILE 69 3.194 -6.380 4.706 728 QG1 ILE 69 QG1 ILE 69 3.351 -5.066 2.814 729 QG2 ILE 69 QG2 ILE 69 4.529 -7.364 0.804 730 QD1 ILE 69 QD1 ILE 69 3.983 -6.797 4.225 731 H GLY 70 HN GLY 70 7.214 -3.662 1.199 732 1HA GLY 70 1HA GLY 70 9.570 -3.890 0.113 733 2HA GLY 70 2HA GLY 70 8.857 -5.241 -0.763 734 QA GLY 70 QA GLY 70 9.214 -4.566 -0.325 735 H GLY 71 HN GLY 71 8.726 -4.500 -2.837 736 1HA GLY 71 1HA GLY 71 7.592 -1.763 -3.266 737 2HA GLY 71 2HA GLY 71 8.539 -2.663 -4.443 738 QA GLY 71 QA GLY 71 8.065 -2.213 -3.855 739 OH TYR 72 OH TYR 72 -0.541 -3.091 -9.635 740 H TYR 72 HN TYR 72 6.231 -1.575 -5.236 741 HA TYR 72 HA TYR 72 3.778 -2.784 -5.071 742 1HB TYR 72 2HB TYR 72 4.288 -0.889 -6.567 743 2HB TYR 72 3HB TYR 72 5.162 -1.968 -7.646 744 HD1 TYR 72 HD2 TYR 72 1.832 -2.165 -5.904 745 HD2 TYR 72 HD1 TYR 72 3.934 -2.404 -9.593 746 HE1 TYR 72 HE2 TYR 72 -0.266 -2.627 -7.068 747 HE2 TYR 72 HE1 TYR 72 1.831 -2.877 -10.759 748 HH TYR 72 HH TYR 72 -0.505 -4.026 -9.887 749 QB TYR 72 QB TYR 72 4.725 -1.429 -7.106 750 QR TYR 72 QR TYR 72 1.833 -2.518 -8.331 751 H THR 73 HN THR 73 6.264 -3.965 -7.355 752 HA THR 73 HA THR 73 4.940 -6.143 -8.453 753 HB THR 73 HB THR 73 7.341 -7.211 -8.488 754 HG1 THR 73 1HG THR 73 8.580 -6.331 -6.961 755 1HG2 THR 73 2HG2 THR 73 6.575 -5.530 -10.264 756 2HG2 THR 73 3HG2 THR 73 7.186 -4.242 -9.233 757 3HG2 THR 73 1HG2 THR 73 8.295 -5.429 -9.912 758 QG2 THR 73 QG2 THR 73 7.352 -5.067 -9.803 759 H ASP 74 HN ASP 74 7.169 -6.502 -5.841 760 HA ASP 74 HA ASP 74 6.558 -9.070 -4.971 761 1HB ASP 74 2HB ASP 74 7.162 -7.009 -2.869 762 2HB ASP 74 3HB ASP 74 7.907 -8.580 -3.130 763 QB ASP 74 QB ASP 74 7.535 -7.795 -2.999 764 H PHE 75 HN PHE 75 5.228 -6.037 -3.726 765 HA PHE 75 HA PHE 75 3.502 -6.960 -1.763 766 1HB PHE 75 2HB PHE 75 3.809 -4.562 -2.354 767 2HB PHE 75 3HB PHE 75 2.859 -4.811 -3.811 768 HD1 PHE 75 2HD PHE 75 2.503 -5.559 -0.122 769 HD2 PHE 75 1HD PHE 75 0.637 -4.146 -3.672 770 HE1 PHE 75 2HE PHE 75 0.468 -5.044 1.148 771 HE2 PHE 75 1HE PHE 75 -1.402 -3.637 -2.397 772 HZ PHE 75 HZ PHE 75 -1.492 -4.097 0.017 773 QB PHE 75 QB PHE 75 3.334 -4.686 -3.082 774 QR PHE 75 QR PHE 75 0.551 -4.596 -1.261 775 H ALA 76 HN ALA 76 2.792 -6.851 -5.258 776 HA ALA 76 HA ALA 76 0.134 -7.644 -5.322 777 1HB ALA 76 1HB ALA 76 1.498 -7.354 -7.363 778 2HB ALA 76 2HB ALA 76 2.339 -8.861 -7.017 779 3HB ALA 76 3HB ALA 76 0.621 -8.881 -7.410 780 QB ALA 76 QB ALA 76 1.486 -8.366 -7.263 781 H ALA 77 HN ALA 77 2.889 -9.840 -4.833 782 HA ALA 77 HA ALA 77 1.275 -12.230 -4.600 783 1HB ALA 77 2HB ALA 77 4.002 -11.588 -3.374 784 2HB ALA 77 3HB ALA 77 3.300 -13.200 -3.486 785 3HB ALA 77 1HB ALA 77 3.734 -12.326 -4.951 786 QB ALA 77 QB ALA 77 3.678 -12.371 -3.937 787 CH2 TRP 78 CH2 TRP 78 -1.510 -6.937 3.542 788 H TRP 78 HN TRP 78 2.597 -10.008 -2.185 789 HA TRP 78 HA TRP 78 1.675 -11.291 0.180 790 1HB TRP 78 2HB TRP 78 3.113 -9.280 0.188 791 2HB TRP 78 3HB TRP 78 1.796 -8.315 -0.413 792 HD1 TRP 78 HD1 TRP 78 3.034 -10.016 2.818 793 HE1 TRP 78 HE1 TRP 78 1.615 -9.316 4.767 794 HE3 TRP 78 HE3 TRP 78 -0.409 -7.316 0.349 795 HZ2 TRP 78 HZ2 TRP 78 -0.586 -7.748 5.283 796 HZ3 TRP 78 HZ3 TRP 78 -2.215 -6.244 1.654 797 HH2 TRP 78 HH2 TRP 78 -2.308 -6.459 4.096 798 QB TRP 78 QB TRP 78 2.455 -8.798 -0.112 799 H VAL 79 HN VAL 79 0.087 -9.000 -1.962 800 HA VAL 79 HA VAL 79 -2.385 -8.778 -0.588 801 HB VAL 79 HB VAL 79 -1.752 -8.651 -3.556 802 1HG1 VAL 79 2HG1 VAL 79 -4.237 -7.696 -2.095 803 2HG1 VAL 79 3HG1 VAL 79 -3.874 -7.395 -3.785 804 3HG1 VAL 79 1HG1 VAL 79 -4.177 -9.034 -3.231 805 1HG2 VAL 79 2HG2 VAL 79 -2.058 -6.560 -1.372 806 2HG2 VAL 79 3HG2 VAL 79 -0.569 -6.991 -2.202 807 3HG2 VAL 79 1HG2 VAL 79 -1.861 -6.180 -3.073 808 QG1 VAL 79 QG1 VAL 79 -4.096 -8.042 -3.037 809 QG2 VAL 79 QG2 VAL 79 -1.496 -6.577 -2.215 810 QQG VAL 79 QQG VAL 79 -2.796 -7.309 -2.626 811 H LYS 80 HN LYS 80 -1.198 -11.288 -2.756 812 HA LYS 80 HA LYS 80 -3.841 -12.599 -2.768 813 1HB LYS 80 2HB LYS 80 -2.410 -12.618 -4.808 814 2HB LYS 80 3HB LYS 80 -1.162 -13.454 -3.921 815 1HG LYS 80 2HG LYS 80 -2.594 -14.919 -5.425 816 2HG LYS 80 3HG LYS 80 -2.396 -15.476 -3.784 817 1HD LYS 80 2HD LYS 80 -4.701 -14.160 -3.401 818 2HD LYS 80 3HD LYS 80 -4.840 -14.345 -5.141 819 1HE LYS 80 2HE LYS 80 -5.907 -16.266 -4.204 820 2HE LYS 80 3HE LYS 80 -4.339 -16.838 -4.763 821 1HZ LYS 80 2HZ LYS 80 -4.126 -15.874 -2.104 822 2HZ LYS 80 3HZ LYS 80 -5.401 -16.971 -2.181 823 3HZ LYS 80 1HZ LYS 80 -3.831 -17.441 -2.681 824 QB LYS 80 QB LYS 80 -1.786 -13.036 -4.365 825 QG LYS 80 QG LYS 80 -2.495 -15.197 -4.604 826 QD LYS 80 QD LYS 80 -4.771 -14.253 -4.271 827 QE LYS 80 QE LYS 80 -5.123 -16.552 -4.483 828 QZ LYS 80 QZ LYS 80 -4.453 -16.762 -2.322 829 H GLU 81 HN GLU 81 -1.973 -12.353 -0.301 830 HA GLU 81 HA GLU 81 -2.426 -15.182 0.560 831 1HB GLU 81 2HB GLU 81 0.140 -13.579 0.985 832 2HB GLU 81 3HB GLU 81 -0.184 -15.152 1.705 833 1HG GLU 81 2HG GLU 81 -0.314 -16.172 -0.530 834 2HG GLU 81 3HG GLU 81 -0.104 -14.596 -1.286 835 QB GLU 81 QB GLU 81 -0.022 -14.365 1.345 836 QG GLU 81 QG GLU 81 -0.209 -15.384 -0.908 837 H ASN 82 HN ASN 82 -1.595 -11.902 1.634 838 HA ASN 82 HA ASN 82 -2.459 -12.566 4.377 839 1HB ASN 82 2HB ASN 82 -1.376 -10.063 3.073 840 2HB ASN 82 3HB ASN 82 -2.039 -10.027 4.699 841 1HD2 ASN 82 2HD2 ASN 82 1.204 -12.514 4.330 842 2HD2 ASN 82 1HD2 ASN 82 -0.057 -12.632 3.196 843 QB ASN 82 QB ASN 82 -1.708 -10.045 3.886 844 QD2 ASN 82 QD2 ASN 82 0.574 -12.573 3.763 845 H LEU 83 HN LEU 83 -4.117 -11.797 1.612 846 HA LEU 83 HA LEU 83 -6.286 -10.503 3.227 847 1HB LEU 83 2HB LEU 83 -5.617 -10.043 0.301 848 2HB LEU 83 3HB LEU 83 -6.967 -9.318 1.156 849 HG LEU 83 HG LEU 83 -4.053 -8.975 1.977 850 1HD1 LEU 83 1HD1 LEU 83 -4.584 -7.951 -0.225 851 2HD1 LEU 83 2HD1 LEU 83 -5.902 -7.058 0.520 852 3HD1 LEU 83 3HD1 LEU 83 -4.236 -6.745 0.993 853 1HD2 LEU 83 3HD2 LEU 83 -6.615 -7.561 2.843 854 2HD2 LEU 83 1HD2 LEU 83 -5.682 -8.676 3.832 855 3HD2 LEU 83 2HD2 LEU 83 -4.992 -7.128 3.374 856 QB LEU 83 QB LEU 83 -6.292 -9.680 0.729 857 QD1 LEU 83 QD1 LEU 83 -4.908 -7.251 0.430 858 QD2 LEU 83 QD2 LEU 83 -5.763 -7.788 3.349 859 QQD LEU 83 QQD LEU 83 -5.335 -7.520 1.890 860 H ASP 84 HN ASP 84 -5.610 -13.319 2.406 861 HA ASP 84 HA ASP 84 -7.921 -14.039 0.741 862 1HB ASP 84 2HB ASP 84 -5.588 -15.533 1.973 863 2HB ASP 84 3HB ASP 84 -6.886 -16.383 1.154 864 QB ASP 84 QB ASP 84 -6.237 -15.958 1.564 865 H ALA 85 HN ALA 85 -8.672 -12.722 2.904 866 HA ALA 85 HA ALA 85 -10.586 -14.335 4.229 867 1HB ALA 85 2HB ALA 85 -8.180 -13.591 5.933 868 2HB ALA 85 3HB ALA 85 -9.671 -14.305 6.538 869 3HB ALA 85 1HB ALA 85 -8.627 -15.230 5.462 870 QB ALA 85 QB ALA 85 -8.826 -14.375 5.977 Start of MODEL 6 Raw file had 870 H/Q atoms Start of MODEL 6 1 H MET 1 HN MET 1 -7.668 -4.591 7.843 2 HA MET 1 HA MET 1 -6.134 -3.395 9.003 3 1HB MET 1 2HB MET 1 -3.721 -3.960 8.661 4 2HB MET 1 3HB MET 1 -4.724 -5.382 8.840 5 1HG MET 1 2HG MET 1 -3.856 -4.235 6.180 6 2HG MET 1 3HG MET 1 -3.031 -5.524 7.003 7 1HE MET 1 1HE MET 1 -5.723 -4.181 5.096 8 2HE MET 1 2HE MET 1 -5.146 -5.263 3.839 9 3HE MET 1 3HE MET 1 -6.755 -5.491 4.533 10 QB MET 1 QB MET 1 -4.223 -4.671 8.751 11 QG MET 1 QG MET 1 -3.444 -4.879 6.591 12 QE MET 1 QE MET 1 -5.875 -4.978 4.490 13 H GLN 2 HN GLN 2 -3.630 -2.184 8.094 14 HA GLN 2 HA GLN 2 -4.761 -0.207 6.240 15 1HB GLN 2 2HB GLN 2 -2.859 -0.044 8.566 16 2HB GLN 2 3HB GLN 2 -3.023 1.269 7.421 17 1HG GLN 2 2HG GLN 2 -5.348 1.572 7.940 18 2HG GLN 2 3HG GLN 2 -5.430 0.040 8.798 19 1HE2 GLN 2 1HE2 GLN 2 -3.445 1.488 11.570 20 2HE2 GLN 2 2HE2 GLN 2 -3.275 0.147 10.548 21 QB GLN 2 QB GLN 2 -2.941 0.612 7.993 22 QG GLN 2 QG GLN 2 -5.389 0.806 8.369 23 QE2 GLN 2 QE2 GLN 2 -3.360 0.817 11.059 24 H THR 3 HN THR 3 -3.143 0.947 4.895 25 HA THR 3 HA THR 3 -0.617 -0.484 4.329 26 HB THR 3 HB THR 3 -2.861 -0.294 2.263 27 HG1 THR 3 1HG THR 3 -2.085 -2.092 4.079 28 1HG2 THR 3 2HG2 THR 3 -0.028 -1.409 1.986 29 2HG2 THR 3 3HG2 THR 3 -1.277 -1.456 0.749 30 3HG2 THR 3 1HG2 THR 3 -0.575 0.085 1.229 31 QG2 THR 3 QG2 THR 3 -0.627 -0.926 1.321 32 H VAL 4 HN VAL 4 0.895 1.078 3.995 33 HA VAL 4 HA VAL 4 -0.077 3.738 3.017 34 HB VAL 4 HB VAL 4 2.542 3.269 4.452 35 1HG1 VAL 4 2HG1 VAL 4 0.794 5.705 3.957 36 2HG1 VAL 4 3HG1 VAL 4 2.268 5.716 4.913 37 3HG1 VAL 4 1HG1 VAL 4 2.342 5.360 3.193 38 1HG2 VAL 4 2HG2 VAL 4 0.704 2.534 5.958 39 2HG2 VAL 4 3HG2 VAL 4 1.443 4.023 6.529 40 3HG2 VAL 4 1HG2 VAL 4 -0.107 4.068 5.707 41 QG1 VAL 4 QG1 VAL 4 1.801 5.594 4.021 42 QG2 VAL 4 QG2 VAL 4 0.680 3.542 6.065 43 QQG VAL 4 QQG VAL 4 1.241 4.568 5.043 44 H ILE 5 HN ILE 5 0.763 4.593 1.258 45 HA ILE 5 HA ILE 5 2.859 3.064 -0.223 46 HB ILE 5 HB ILE 5 0.626 4.936 -1.133 47 1HG1 ILE 5 2HG1 ILE 5 -0.104 3.034 -2.508 48 2HG1 ILE 5 3HG1 ILE 5 1.224 2.064 -1.895 49 1HG2 ILE 5 3HG2 ILE 5 2.845 3.717 -2.804 50 2HG2 ILE 5 1HG2 ILE 5 1.441 4.553 -3.454 51 3HG2 ILE 5 2HG2 ILE 5 2.619 5.433 -2.483 52 1HD1 ILE 5 2HD1 ILE 5 -0.961 3.232 -0.144 53 2HD1 ILE 5 3HD1 ILE 5 -0.964 1.589 -0.773 54 3HD1 ILE 5 1HD1 ILE 5 0.283 2.088 0.349 55 QG1 ILE 5 QG1 ILE 5 0.560 2.549 -2.202 56 QG2 ILE 5 QG2 ILE 5 2.302 4.568 -2.914 57 QD1 ILE 5 QD1 ILE 5 -0.547 2.303 -0.189 58 H PHE 6 HN PHE 6 4.778 4.050 0.550 59 HA PHE 6 HA PHE 6 4.916 7.033 0.543 60 1HB PHE 6 2HB PHE 6 6.932 4.926 1.415 61 2HB PHE 6 3HB PHE 6 7.281 6.645 1.385 62 HD1 PHE 6 2HD PHE 6 5.106 4.075 2.944 63 HD2 PHE 6 1HD PHE 6 6.545 8.081 3.171 64 HE1 PHE 6 2HE PHE 6 4.268 4.252 5.245 65 HE2 PHE 6 1HE PHE 6 5.663 8.268 5.458 66 HZ PHE 6 HZ PHE 6 4.502 6.361 6.484 67 QB PHE 6 QB PHE 6 7.106 5.785 1.400 68 QR PHE 6 QR PHE 6 5.395 6.169 4.205 69 H GLY 7 HN GLY 7 4.852 7.445 -1.612 70 1HA GLY 7 1HA GLY 7 7.137 6.379 -3.235 71 2HA GLY 7 2HA GLY 7 5.532 6.557 -3.923 72 QA GLY 7 QA GLY 7 6.335 6.468 -3.579 73 NH1 ARG 8 NH2 ARG 8 11.151 13.532 -7.926 74 NH2 ARG 8 NH1 ARG 8 12.210 13.317 -5.910 75 H ARG 8 HN ARG 8 6.262 7.945 -5.514 76 HA ARG 8 HA ARG 8 6.997 10.690 -4.569 77 1HB ARG 8 2HB ARG 8 8.860 9.420 -5.759 78 2HB ARG 8 3HB ARG 8 7.839 9.372 -7.187 79 1HG ARG 8 2HG ARG 8 9.070 11.278 -7.643 80 2HG ARG 8 3HG ARG 8 7.715 12.003 -6.790 81 1HD ARG 8 2HD ARG 8 9.015 11.947 -4.673 82 2HD ARG 8 3HD ARG 8 10.376 11.220 -5.536 83 HE ARG 8 HE ARG 8 9.439 14.039 -5.835 84 1HH1 ARG 8 2HH2 ARG 8 10.285 13.545 -8.428 85 2HH1 ARG 8 1HH2 ARG 8 12.017 13.639 -8.418 86 1HH2 ARG 8 2HH1 ARG 8 12.128 13.186 -4.919 87 2HH2 ARG 8 1HH1 ARG 8 13.115 13.405 -6.325 88 QB ARG 8 QB ARG 8 8.349 9.396 -6.473 89 QG ARG 8 QG ARG 8 8.393 11.641 -7.217 90 QD ARG 8 QD ARG 8 9.696 11.584 -5.105 91 QH1 ARG 8 QH2 ARG 8 11.151 13.592 -8.423 92 QH2 ARG 8 QH1 ARG 8 12.622 13.295 -5.622 93 H SER 9 HN SER 9 5.410 12.107 -5.066 94 HA SER 9 HA SER 9 3.251 11.398 -6.892 95 1HB SER 9 2HB SER 9 3.838 14.121 -5.645 96 2HB SER 9 3HB SER 9 2.274 13.525 -6.224 97 HG SER 9 HG SER 9 3.744 12.816 -3.937 98 QB SER 9 QB SER 9 3.056 13.823 -5.934 99 H GLY 10 HN GLY 10 5.374 11.182 -8.387 100 1HA GLY 10 1HA GLY 10 5.408 13.605 -10.139 101 2HA GLY 10 2HA GLY 10 6.845 12.617 -9.885 102 QA GLY 10 QA GLY 10 6.126 13.111 -10.012 103 H CYS 11 HN CYS 11 5.742 10.060 -10.040 104 HA CYS 11 HA CYS 11 4.852 9.997 -12.894 105 1HB CYS 11 2HB CYS 11 7.059 9.024 -12.593 106 2HB CYS 11 3HB CYS 11 6.500 8.054 -11.259 107 HG CYS 11 HG CYS 11 5.548 6.358 -12.841 108 QB CYS 11 QB CYS 11 6.779 8.539 -11.926 109 HA PRO 12 HA PRO 12 1.327 7.707 -11.378 110 1HB PRO 12 2HB PRO 12 0.917 6.176 -13.742 111 2HB PRO 12 3HB PRO 12 0.144 7.700 -13.321 112 1HG PRO 12 2HG PRO 12 2.201 7.198 -15.329 113 2HG PRO 12 3HG PRO 12 1.301 8.687 -15.036 114 1HD PRO 12 2HD PRO 12 4.045 8.128 -14.354 115 2HD PRO 12 3HD PRO 12 3.133 9.616 -14.043 116 QB PRO 12 QB PRO 12 0.531 6.938 -13.531 117 QG PRO 12 QG PRO 12 1.751 7.942 -15.182 118 QD PRO 12 QD PRO 12 3.589 8.872 -14.198 119 OH TYR 13 OH TYR 13 7.662 -0.411 -11.339 120 H TYR 13 HN TYR 13 3.691 6.736 -10.452 121 HA TYR 13 HA TYR 13 3.696 3.816 -11.017 122 1HB TYR 13 2HB TYR 13 5.835 5.466 -10.860 123 2HB TYR 13 3HB TYR 13 5.711 5.031 -9.157 124 HD1 TYR 13 HD2 TYR 13 5.674 3.469 -12.556 125 HD2 TYR 13 HD1 TYR 13 6.693 2.967 -8.454 126 HE1 TYR 13 HE2 TYR 13 6.592 1.264 -13.060 127 HE2 TYR 13 HE1 TYR 13 7.632 0.758 -8.963 128 HH TYR 13 HH TYR 13 7.484 -0.600 -12.267 129 QB TYR 13 QB TYR 13 5.773 5.248 -10.009 130 QR TYR 13 QR TYR 13 6.647 2.114 -10.758 131 H CYS 14 HN CYS 14 3.904 5.982 -8.115 132 HA CYS 14 HA CYS 14 3.194 3.997 -6.208 133 1HB CYS 14 2HB CYS 14 1.912 6.678 -5.911 134 2HB CYS 14 3HB CYS 14 2.730 5.706 -4.726 135 HG CYS 14 HG CYS 14 3.921 8.060 -5.645 136 QB CYS 14 QB CYS 14 2.321 6.192 -5.318 137 H VAL 15 HN VAL 15 1.343 5.939 -8.363 138 HA VAL 15 HA VAL 15 -1.285 5.603 -7.617 139 HB VAL 15 HB VAL 15 -0.190 5.424 -10.452 140 1HG1 VAL 15 3HG1 VAL 15 -2.920 6.261 -9.393 141 2HG1 VAL 15 1HG1 VAL 15 -2.408 6.375 -11.071 142 3HG1 VAL 15 2HG1 VAL 15 -2.580 4.798 -10.312 143 1HG2 VAL 15 1HG2 VAL 15 -1.023 7.815 -8.750 144 2HG2 VAL 15 2HG2 VAL 15 0.625 7.429 -9.227 145 3HG2 VAL 15 3HG2 VAL 15 -0.555 7.896 -10.445 146 QG1 VAL 15 QG1 VAL 15 -2.636 5.811 -10.259 147 QG2 VAL 15 QG2 VAL 15 -0.318 7.714 -9.474 148 QQG VAL 15 QQG VAL 15 -1.477 6.762 -9.866 149 NH1 ARG 16 NH2 ARG 16 -1.051 3.650 -13.475 150 NH2 ARG 16 NH1 ARG 16 -2.420 1.961 -14.189 151 H ARG 16 HN ARG 16 0.785 3.058 -8.948 152 HA ARG 16 HA ARG 16 -1.446 1.286 -9.554 153 1HB ARG 16 2HB ARG 16 1.512 0.723 -9.178 154 2HB ARG 16 3HB ARG 16 0.347 -0.462 -9.753 155 1HG ARG 16 2HG ARG 16 0.914 2.216 -11.097 156 2HG ARG 16 3HG ARG 16 1.562 0.670 -11.629 157 1HD ARG 16 2HD ARG 16 -0.701 -0.189 -12.062 158 2HD ARG 16 3HD ARG 16 -1.415 1.296 -11.433 159 HE ARG 16 HE ARG 16 0.319 1.284 -13.870 160 1HH1 ARG 16 2HH2 ARG 16 -0.194 3.915 -13.018 161 2HH1 ARG 16 1HH2 ARG 16 -1.692 4.356 -13.784 162 1HH2 ARG 16 2HH1 ARG 16 -2.569 0.976 -14.295 163 2HH2 ARG 16 1HH1 ARG 16 -3.135 2.598 -14.479 164 QB ARG 16 QB ARG 16 0.930 0.131 -9.465 165 QG ARG 16 QG ARG 16 1.238 1.443 -11.363 166 QD ARG 16 QD ARG 16 -1.058 0.553 -11.748 167 QH1 ARG 16 QH2 ARG 16 -0.943 4.136 -13.401 168 QH2 ARG 16 QH1 ARG 16 -2.852 1.787 -14.387 169 H ALA 17 HN ALA 17 0.721 1.723 -6.821 170 HA ALA 17 HA ALA 17 -0.268 -0.554 -5.334 171 1HB ALA 17 2HB ALA 17 1.843 0.654 -4.772 172 2HB ALA 17 3HB ALA 17 0.898 2.061 -4.307 173 3HB ALA 17 1HB ALA 17 0.759 0.564 -3.389 174 QB ALA 17 QB ALA 17 1.167 1.093 -4.156 175 H LYS 18 HN LYS 18 -0.960 2.878 -5.437 176 HA LYS 18 HA LYS 18 -3.067 3.032 -3.567 177 1HB LYS 18 2HB LYS 18 -2.033 4.974 -4.843 178 2HB LYS 18 3HB LYS 18 -2.944 4.470 -6.258 179 1HG LYS 18 2HG LYS 18 -4.894 4.571 -4.285 180 2HG LYS 18 3HG LYS 18 -3.846 5.910 -3.851 181 1HD LYS 18 2HD LYS 18 -5.296 6.961 -5.334 182 2HD LYS 18 3HD LYS 18 -3.985 6.506 -6.416 183 1HE LYS 18 2HE LYS 18 -6.158 5.877 -7.397 184 2HE LYS 18 3HE LYS 18 -5.222 4.432 -7.027 185 1HZ LYS 18 2HZ LYS 18 -6.741 5.127 -4.745 186 2HZ LYS 18 3HZ LYS 18 -7.781 5.107 -6.094 187 3HZ LYS 18 1HZ LYS 18 -6.861 3.744 -5.721 188 QB LYS 18 QB LYS 18 -2.489 4.722 -5.551 189 QG LYS 18 QG LYS 18 -4.370 5.241 -4.068 190 QD LYS 18 QD LYS 18 -4.641 6.733 -5.875 191 QE LYS 18 QE LYS 18 -5.690 5.154 -7.212 192 QZ LYS 18 QZ LYS 18 -7.127 4.659 -5.520 193 H ASP 19 HN ASP 19 -3.236 2.333 -7.026 194 HA ASP 19 HA ASP 19 -6.005 1.873 -7.223 195 1HB ASP 19 2HB ASP 19 -4.409 2.107 -9.126 196 2HB ASP 19 3HB ASP 19 -3.678 0.572 -8.721 197 QB ASP 19 QB ASP 19 -4.043 1.339 -8.923 198 H LEU 20 HN LEU 20 -3.550 -0.755 -7.045 199 HA LEU 20 HA LEU 20 -5.390 -2.853 -6.608 200 1HB LEU 20 2HB LEU 20 -2.939 -3.195 -6.990 201 2HB LEU 20 3HB LEU 20 -2.622 -2.627 -5.356 202 HG LEU 20 HG LEU 20 -4.157 -4.465 -4.513 203 1HD1 LEU 20 2HD1 LEU 20 -3.879 -5.423 -7.385 204 2HD1 LEU 20 3HD1 LEU 20 -4.550 -6.368 -6.061 205 3HD1 LEU 20 1HD1 LEU 20 -5.369 -4.912 -6.606 206 1HD2 LEU 20 2HD2 LEU 20 -1.679 -5.301 -6.063 207 2HD2 LEU 20 3HD2 LEU 20 -1.706 -4.680 -4.417 208 3HD2 LEU 20 1HD2 LEU 20 -2.443 -6.235 -4.781 209 QB LEU 20 QB LEU 20 -2.780 -2.911 -6.173 210 QD1 LEU 20 QD1 LEU 20 -4.599 -5.568 -6.684 211 QD2 LEU 20 QD2 LEU 20 -1.943 -5.405 -5.087 212 QQD LEU 20 QQD LEU 20 -3.271 -5.487 -5.886 213 H ALA 21 HN ALA 21 -3.694 -0.877 -4.228 214 HA ALA 21 HA ALA 21 -4.709 -2.068 -1.864 215 1HB ALA 21 3HB ALA 21 -2.838 -0.418 -1.953 216 2HB ALA 21 1HB ALA 21 -3.978 0.838 -2.398 217 3HB ALA 21 2HB ALA 21 -4.071 0.086 -0.812 218 QB ALA 21 QB ALA 21 -3.629 0.169 -1.721 219 H GLU 22 HN GLU 22 -5.853 0.716 -3.695 220 HA GLU 22 HA GLU 22 -8.131 1.340 -2.133 221 1HB GLU 22 2HB GLU 22 -7.167 2.715 -4.053 222 2HB GLU 22 3HB GLU 22 -7.888 1.557 -5.152 223 1HG GLU 22 2HG GLU 22 -10.087 2.160 -4.601 224 2HG GLU 22 3HG GLU 22 -9.620 2.842 -3.043 225 QB GLU 22 QB GLU 22 -7.528 2.136 -4.603 226 QG GLU 22 QG GLU 22 -9.853 2.501 -3.822 227 H LYS 23 HN LYS 23 -7.814 -0.720 -4.994 228 HA LYS 23 HA LYS 23 -10.486 -1.550 -5.151 229 1HB LYS 23 2HB LYS 23 -8.373 -2.221 -6.623 230 2HB LYS 23 3HB LYS 23 -8.317 -3.611 -5.550 231 1HG LYS 23 2HG LYS 23 -10.481 -2.806 -7.498 232 2HG LYS 23 3HG LYS 23 -9.712 -4.376 -7.290 233 1HD LYS 23 2HD LYS 23 -10.811 -4.461 -4.978 234 2HD LYS 23 3HD LYS 23 -11.770 -3.077 -5.473 235 1HE LYS 23 2HE LYS 23 -12.649 -4.376 -7.371 236 2HE LYS 23 3HE LYS 23 -11.688 -5.764 -6.856 237 1HZ LYS 23 2HZ LYS 23 -13.168 -4.734 -4.656 238 2HZ LYS 23 3HZ LYS 23 -14.211 -5.051 -5.956 239 3HZ LYS 23 1HZ LYS 23 -13.193 -6.285 -5.361 240 QB LYS 23 QB LYS 23 -8.345 -2.916 -6.086 241 QG LYS 23 QG LYS 23 -10.097 -3.591 -7.394 242 QD LYS 23 QD LYS 23 -11.290 -3.769 -5.225 243 QE LYS 23 QE LYS 23 -12.169 -5.070 -7.113 244 QZ LYS 23 QZ LYS 23 -13.524 -5.357 -5.324 245 H LEU 24 HN LEU 24 -7.825 -3.126 -3.378 246 HA LEU 24 HA LEU 24 -9.382 -5.067 -2.025 247 1HB LEU 24 2HB LEU 24 -6.915 -3.585 -1.033 248 2HB LEU 24 3HB LEU 24 -7.538 -5.081 -0.346 249 HG LEU 24 HG LEU 24 -6.840 -4.844 -3.296 250 1HD1 LEU 24 1HD1 LEU 24 -4.824 -4.352 -1.938 251 2HD1 LEU 24 2HD1 LEU 24 -5.075 -5.844 -1.040 252 3HD1 LEU 24 3HD1 LEU 24 -4.694 -5.902 -2.757 253 1HD2 LEU 24 3HD2 LEU 24 -7.115 -7.214 -1.408 254 2HD2 LEU 24 1HD2 LEU 24 -8.293 -6.743 -2.627 255 3HD2 LEU 24 2HD2 LEU 24 -6.702 -7.312 -3.114 256 QB LEU 24 QB LEU 24 -7.227 -4.333 -0.690 257 QD1 LEU 24 QD1 LEU 24 -4.865 -5.366 -1.912 258 QD2 LEU 24 QD2 LEU 24 -7.370 -7.090 -2.383 259 QQD LEU 24 QQD LEU 24 -6.117 -6.228 -2.147 260 H SER 25 HN SER 25 -8.755 -1.711 -1.286 261 HA SER 25 HA SER 25 -10.016 -1.463 1.227 262 1HB SER 25 2HB SER 25 -8.759 0.361 -0.187 263 2HB SER 25 3HB SER 25 -10.340 0.665 -0.916 264 HG SER 25 HG SER 25 -10.044 0.460 1.881 265 QB SER 25 QB SER 25 -9.549 0.513 -0.551 266 H ASN 26 HN ASN 26 -11.305 -1.462 -2.001 267 HA ASN 26 HA ASN 26 -14.119 -1.404 -1.017 268 1HB ASN 26 2HB ASN 26 -13.345 0.103 -2.919 269 2HB ASN 26 3HB ASN 26 -12.995 -1.348 -3.843 270 1HD2 ASN 26 2HD2 ASN 26 -16.993 -0.875 -3.078 271 2HD2 ASN 26 1HD2 ASN 26 -15.914 -0.859 -1.770 272 QB ASN 26 QB ASN 26 -13.170 -0.623 -3.381 273 QD2 ASN 26 QD2 ASN 26 -16.453 -0.867 -2.424 274 H GLU 27 HN GLU 27 -12.449 -3.570 -0.472 275 HA GLU 27 HA GLU 27 -13.964 -5.722 -1.859 276 1HB GLU 27 2HB GLU 27 -11.425 -5.160 -2.608 277 2HB GLU 27 3HB GLU 27 -11.088 -6.294 -1.311 278 1HG GLU 27 2HG GLU 27 -11.991 -8.080 -2.455 279 2HG GLU 27 3HG GLU 27 -13.232 -7.103 -3.223 280 QB GLU 27 QB GLU 27 -11.256 -5.727 -1.959 281 QG GLU 27 QG GLU 27 -12.612 -7.591 -2.839 282 NH1 ARG 28 NH2 ARG 28 -9.295 -8.542 5.715 283 NH2 ARG 28 NH1 ARG 28 -8.460 -10.564 5.048 284 H ARG 28 HN ARG 28 -11.593 -5.193 0.789 285 HA ARG 28 HA ARG 28 -13.086 -7.294 2.313 286 1HB ARG 28 2HB ARG 28 -10.284 -6.203 2.704 287 2HB ARG 28 3HB ARG 28 -11.069 -7.308 3.820 288 1HG ARG 28 2HG ARG 28 -11.479 -8.808 1.731 289 2HG ARG 28 3HG ARG 28 -10.269 -7.807 0.948 290 1HD ARG 28 2HD ARG 28 -9.219 -9.810 1.930 291 2HD ARG 28 3HD ARG 28 -8.654 -8.352 2.754 292 HE ARG 28 HE ARG 28 -10.935 -9.888 3.925 293 1HH1 ARG 28 2HH2 ARG 28 -9.921 -7.783 5.527 294 2HH1 ARG 28 1HH2 ARG 28 -8.712 -8.498 6.525 295 1HH2 ARG 28 2HH1 ARG 28 -8.457 -11.294 4.346 296 2HH2 ARG 28 1HH1 ARG 28 -7.848 -10.636 5.836 297 QB ARG 28 QB ARG 28 -10.676 -6.755 3.262 298 QG ARG 28 QG ARG 28 -10.874 -8.307 1.339 299 QD ARG 28 QD ARG 28 -8.936 -9.081 2.342 300 QH1 ARG 28 QH2 ARG 28 -9.316 -8.141 6.026 301 QH2 ARG 28 QH1 ARG 28 -8.153 -10.965 5.091 302 H ASP 29 HN ASP 29 -12.665 -3.983 2.127 303 HA ASP 29 HA ASP 29 -13.576 -2.240 3.347 304 1HB ASP 29 2HB ASP 29 -14.761 -4.429 5.085 305 2HB ASP 29 3HB ASP 29 -15.186 -2.728 5.150 306 QB ASP 29 QB ASP 29 -14.974 -3.578 5.117 307 H ASP 30 HN ASP 30 -12.053 -4.756 5.383 308 HA ASP 30 HA ASP 30 -11.311 -2.754 7.406 309 1HB ASP 30 2HB ASP 30 -10.263 -4.579 8.560 310 2HB ASP 30 3HB ASP 30 -11.647 -5.328 7.767 311 QB ASP 30 QB ASP 30 -10.955 -4.954 8.163 312 H PHE 31 HN PHE 31 -10.429 -3.222 4.380 313 HA PHE 31 HA PHE 31 -7.510 -2.886 4.672 314 1HB PHE 31 2HB PHE 31 -8.538 -4.454 2.938 315 2HB PHE 31 3HB PHE 31 -9.170 -3.036 2.125 316 HD1 PHE 31 1HD PHE 31 -7.341 -1.124 1.650 317 HD2 PHE 31 2HD PHE 31 -6.451 -5.244 2.218 318 HE1 PHE 31 1HE PHE 31 -5.179 -0.826 0.562 319 HE2 PHE 31 2HE PHE 31 -4.269 -4.910 1.166 320 HZ PHE 31 HZ PHE 31 -3.615 -2.703 0.352 321 QB PHE 31 QB PHE 31 -8.854 -3.745 2.532 322 QR PHE 31 QR PHE 31 -5.810 -3.026 1.399 323 H GLN 32 HN GLN 32 -7.152 -0.829 5.306 324 HA GLN 32 HA GLN 32 -8.387 1.353 3.646 325 1HB GLN 32 2HB GLN 32 -7.357 1.607 6.480 326 2HB GLN 32 3HB GLN 32 -8.248 2.806 5.548 327 1HG GLN 32 2HG GLN 32 -10.280 1.611 5.721 328 2HG GLN 32 3HG GLN 32 -9.472 0.079 6.021 329 1HE2 GLN 32 2HE2 GLN 32 -10.849 1.767 9.187 330 2HE2 GLN 32 1HE2 GLN 32 -11.518 1.745 7.628 331 QB GLN 32 QB GLN 32 -7.803 2.207 6.014 332 QG GLN 32 QG GLN 32 -9.876 0.845 5.871 333 QE2 GLN 32 QE2 GLN 32 -11.183 1.756 8.407 334 OH TYR 33 OH TYR 33 -6.425 5.625 -2.931 335 H TYR 33 HN TYR 33 -6.959 2.294 2.404 336 HA TYR 33 HA TYR 33 -4.078 2.069 3.165 337 1HB TYR 33 2HB TYR 33 -3.463 1.894 0.930 338 2HB TYR 33 3HB TYR 33 -5.006 1.060 0.921 339 HD1 TYR 33 HD1 TYR 33 -6.995 2.085 -0.151 340 HD2 TYR 33 HD2 TYR 33 -3.247 4.103 -0.101 341 HE1 TYR 33 HE1 TYR 33 -7.806 3.650 -1.864 342 HE2 TYR 33 HE2 TYR 33 -4.060 5.665 -1.801 343 HH TYR 33 HH TYR 33 -7.395 5.553 -2.943 344 QB TYR 33 QB TYR 33 -4.234 1.477 0.925 345 QR TYR 33 QR TYR 33 -5.527 3.876 -0.979 346 H GLN 34 HN GLN 34 -2.718 3.777 2.604 347 HA GLN 34 HA GLN 34 -3.978 6.430 2.240 348 1HB GLN 34 2HB GLN 34 -2.411 7.261 4.132 349 2HB GLN 34 3HB GLN 34 -3.874 6.434 4.610 350 1HG GLN 34 2HG GLN 34 -1.230 4.998 4.282 351 2HG GLN 34 3HG GLN 34 -1.702 5.735 5.799 352 1HE2 GLN 34 2HE2 GLN 34 -4.597 3.151 5.683 353 2HE2 GLN 34 1HE2 GLN 34 -4.659 4.814 5.334 354 QB GLN 34 QB GLN 34 -3.142 6.847 4.371 355 QG GLN 34 QG GLN 34 -1.466 5.367 5.040 356 QE2 GLN 34 QE2 GLN 34 -4.628 3.982 5.509 357 OH TYR 35 OH TYR 35 2.798 9.907 -4.735 358 H TYR 35 HN TYR 35 -2.543 7.989 1.397 359 HA TYR 35 HA TYR 35 -0.049 6.814 0.221 360 1HB TYR 35 2HB TYR 35 -1.732 7.385 -1.490 361 2HB TYR 35 3HB TYR 35 -1.891 9.004 -0.831 362 HD1 TYR 35 HD2 TYR 35 1.194 6.985 -1.647 363 HD2 TYR 35 HD1 TYR 35 -1.066 10.496 -2.437 364 HE1 TYR 35 HE2 TYR 35 2.886 7.707 -3.272 365 HE2 TYR 35 HE1 TYR 35 0.643 11.234 -4.030 366 HH TYR 35 HH TYR 35 2.891 10.875 -4.666 367 QB TYR 35 QB TYR 35 -1.811 8.194 -1.161 368 QR TYR 35 QR TYR 35 0.914 9.105 -2.846 369 H VAL 36 HN VAL 36 1.814 7.868 0.598 370 HA VAL 36 HA VAL 36 1.713 10.588 1.797 371 HB VAL 36 HB VAL 36 3.329 8.263 2.953 372 1HG1 VAL 36 2HG1 VAL 36 2.990 11.144 3.886 373 2HG1 VAL 36 3HG1 VAL 36 3.887 9.899 4.745 374 3HG1 VAL 36 1HG1 VAL 36 4.455 10.468 3.180 375 1HG2 VAL 36 1HG2 VAL 36 0.906 8.102 3.499 376 2HG2 VAL 36 2HG2 VAL 36 1.847 8.502 4.928 377 3HG2 VAL 36 3HG2 VAL 36 0.932 9.757 4.097 378 QG1 VAL 36 QG1 VAL 36 3.777 10.504 3.937 379 QG2 VAL 36 QG2 VAL 36 1.228 8.787 4.175 380 QQG VAL 36 QQG VAL 36 2.503 9.645 4.056 381 H ASP 37 HN ASP 37 3.688 11.731 1.392 382 HA ASP 37 HA ASP 37 5.336 10.464 -0.771 383 1HB ASP 37 2HB ASP 37 3.829 12.399 -1.471 384 2HB ASP 37 3HB ASP 37 4.790 13.431 -0.418 385 QB ASP 37 QB ASP 37 4.310 12.915 -0.944 386 H ILE 38 HN ILE 38 7.522 10.688 -0.615 387 HA ILE 38 HA ILE 38 8.753 10.822 1.892 388 HB ILE 38 HB ILE 38 10.876 11.256 0.609 389 1HG1 ILE 38 2HG1 ILE 38 8.938 11.390 -1.755 390 2HG1 ILE 38 3HG1 ILE 38 9.851 12.752 -1.120 391 1HG2 ILE 38 1HG2 ILE 38 9.921 8.985 0.905 392 2HG2 ILE 38 2HG2 ILE 38 8.970 9.184 -0.559 393 3HG2 ILE 38 3HG2 ILE 38 10.725 9.121 -0.647 394 1HD1 ILE 38 1HD1 ILE 38 11.973 11.560 -1.645 395 2HD1 ILE 38 2HD1 ILE 38 11.040 10.235 -2.336 396 3HD1 ILE 38 3HD1 ILE 38 10.990 11.825 -3.083 397 QG1 ILE 38 QG1 ILE 38 9.395 12.071 -1.437 398 QG2 ILE 38 QG2 ILE 38 9.872 9.096 -0.100 399 QD1 ILE 38 QD1 ILE 38 11.334 11.206 -2.355 400 NH1 ARG 39 NH1 ARG 39 8.784 18.808 3.576 401 NH2 ARG 39 NH2 ARG 39 10.062 20.594 2.973 402 H ARG 39 HN ARG 39 8.043 13.459 -0.330 403 HA ARG 39 HA ARG 39 9.549 15.387 1.262 404 1HB ARG 39 2HB ARG 39 9.343 15.937 -1.065 405 2HB ARG 39 3HB ARG 39 7.598 15.724 -1.033 406 1HG ARG 39 2HG ARG 39 8.243 18.132 -1.020 407 2HG ARG 39 3HG ARG 39 7.344 17.697 0.420 408 1HD ARG 39 2HD ARG 39 9.683 17.353 1.541 409 2HD ARG 39 3HD ARG 39 10.323 18.226 0.156 410 HE ARG 39 HE ARG 39 8.562 20.041 0.881 411 1HH1 ARG 39 2HH1 ARG 39 8.243 18.012 3.294 412 2HH1 ARG 39 1HH1 ARG 39 8.925 18.986 4.548 413 1HH2 ARG 39 2HH2 ARG 39 10.436 21.162 2.243 414 2HH2 ARG 39 1HH2 ARG 39 10.288 20.803 3.924 415 QB ARG 39 QB ARG 39 8.470 15.830 -1.049 416 QG ARG 39 QG ARG 39 7.794 17.914 -0.300 417 QD ARG 39 QD ARG 39 10.003 17.789 0.848 418 QH1 ARG 39 QH1 ARG 39 8.584 18.499 3.921 419 QH2 ARG 39 QH2 ARG 39 10.362 20.983 3.084 420 H ALA 40 HN ALA 40 6.079 14.658 0.872 421 HA ALA 40 HA ALA 40 4.895 16.668 2.370 422 1HB ALA 40 3HB ALA 40 4.340 13.693 2.633 423 2HB ALA 40 1HB ALA 40 3.246 14.973 3.144 424 3HB ALA 40 2HB ALA 40 3.628 14.772 1.436 425 QB ALA 40 QB ALA 40 3.738 14.479 2.404 426 H GLU 41 HN GLU 41 6.295 13.719 3.721 427 HA GLU 41 HA GLU 41 6.301 14.885 6.463 428 1HB GLU 41 2HB GLU 41 6.765 12.125 5.322 429 2HB GLU 41 3HB GLU 41 7.291 12.492 6.952 430 1HG GLU 41 2HG GLU 41 4.902 13.227 7.457 431 2HG GLU 41 3HG GLU 41 4.451 12.581 5.880 432 QB GLU 41 QB GLU 41 7.028 12.308 6.137 433 QG GLU 41 QG GLU 41 4.676 12.904 6.669 434 H GLY 42 HN GLY 42 8.179 15.711 4.262 435 1HA GLY 42 1HA GLY 42 10.525 15.931 3.852 436 2HA GLY 42 2HA GLY 42 10.427 16.554 5.494 437 QA GLY 42 QA GLY 42 10.476 16.242 4.673 438 H ILE 43 HN ILE 43 10.387 13.357 3.965 439 HA ILE 43 HA ILE 43 12.155 12.338 6.136 440 HB ILE 43 HB ILE 43 10.964 10.567 4.000 441 1HG1 ILE 43 2HG1 ILE 43 9.379 11.482 6.435 442 2HG1 ILE 43 3HG1 ILE 43 9.088 12.072 4.803 443 1HG2 ILE 43 1HG2 ILE 43 12.486 9.655 5.746 444 2HG2 ILE 43 2HG2 ILE 43 11.409 10.256 7.001 445 3HG2 ILE 43 3HG2 ILE 43 10.877 8.983 5.912 446 1HD1 ILE 43 2HD1 ILE 43 8.689 9.732 4.040 447 2HD1 ILE 43 3HD1 ILE 43 8.911 9.168 5.693 448 3HD1 ILE 43 1HD1 ILE 43 7.560 10.213 5.295 449 QG1 ILE 43 QG1 ILE 43 9.234 11.777 5.619 450 QG2 ILE 43 QG2 ILE 43 11.591 9.631 6.220 451 QD1 ILE 43 QD1 ILE 43 8.387 9.704 5.009 452 H THR 44 HN THR 44 13.939 10.906 5.469 453 HA THR 44 HA THR 44 14.962 11.565 2.745 454 HB THR 44 HB THR 44 17.260 11.508 3.738 455 HG1 THR 44 1HG THR 44 17.373 10.416 5.500 456 1HG2 THR 44 3HG2 THR 44 15.920 13.679 3.972 457 2HG2 THR 44 1HG2 THR 44 15.378 13.105 5.545 458 3HG2 THR 44 2HG2 THR 44 17.085 13.435 5.269 459 QG2 THR 44 QG2 THR 44 16.128 13.407 4.928 460 H LYS 45 HN LYS 45 16.210 9.944 1.726 461 HA LYS 45 HA LYS 45 15.117 7.413 1.508 462 1HB LYS 45 2HB LYS 45 16.697 8.342 -0.110 463 2HB LYS 45 3HB LYS 45 18.004 8.268 1.068 464 1HG LYS 45 2HG LYS 45 17.846 5.807 1.123 465 2HG LYS 45 3HG LYS 45 16.490 5.851 -0.003 466 1HD LYS 45 2HD LYS 45 17.958 6.963 -1.686 467 2HD LYS 45 3HD LYS 45 19.311 6.855 -0.568 468 1HE LYS 45 2HE LYS 45 17.719 4.435 -1.471 469 2HE LYS 45 3HE LYS 45 19.152 4.994 -2.321 470 1HZ LYS 45 1HZ LYS 45 19.838 4.823 0.375 471 2HZ LYS 45 2HZ LYS 45 18.969 3.398 -0.006 472 3HZ LYS 45 3HZ LYS 45 20.338 3.818 -0.923 473 QB LYS 45 QB LYS 45 17.351 8.305 0.479 474 QG LYS 45 QG LYS 45 17.168 5.829 0.560 475 QD LYS 45 QD LYS 45 18.634 6.909 -1.127 476 QE LYS 45 QE LYS 45 18.435 4.715 -1.896 477 QZ LYS 45 QZ LYS 45 19.715 4.013 -0.185 478 H GLU 46 HN GLU 46 17.748 8.285 3.704 479 HA GLU 46 HA GLU 46 18.385 5.561 4.425 480 1HB GLU 46 2HB GLU 46 18.851 7.987 6.186 481 2HB GLU 46 3HB GLU 46 19.766 6.487 6.152 482 1HG GLU 46 2HG GLU 46 21.120 8.020 4.930 483 2HG GLU 46 3HG GLU 46 20.321 7.070 3.686 484 QB GLU 46 QB GLU 46 19.309 7.237 6.169 485 QG GLU 46 QG GLU 46 20.720 7.545 4.308 486 H ASP 47 HN ASP 47 16.569 8.081 6.213 487 HA ASP 47 HA ASP 47 15.716 6.532 8.402 488 1HB ASP 47 2HB ASP 47 15.157 8.842 8.437 489 2HB ASP 47 3HB ASP 47 14.454 8.788 6.832 490 QB ASP 47 QB ASP 47 14.805 8.815 7.635 491 H LEU 48 HN LEU 48 14.181 6.965 5.266 492 HA LEU 48 HA LEU 48 12.059 5.120 5.585 493 1HB LEU 48 2HB LEU 48 13.441 6.412 3.329 494 2HB LEU 48 3HB LEU 48 12.723 4.865 2.906 495 HG LEU 48 HG LEU 48 11.230 7.074 4.381 496 1HD1 LEU 48 3HD1 LEU 48 11.240 6.323 1.439 497 2HD1 LEU 48 1HD1 LEU 48 10.143 7.475 2.191 498 3HD1 LEU 48 2HD1 LEU 48 11.868 7.822 2.125 499 1HD2 LEU 48 3HD2 LEU 48 10.276 4.558 2.939 500 2HD2 LEU 48 1HD2 LEU 48 10.319 4.761 4.686 501 3HD2 LEU 48 2HD2 LEU 48 9.236 5.747 3.715 502 QB LEU 48 QB LEU 48 13.082 5.639 3.118 503 QD1 LEU 48 QD1 LEU 48 11.084 7.207 1.918 504 QD2 LEU 48 QD2 LEU 48 9.943 5.022 3.780 505 QQD LEU 48 QQD LEU 48 10.513 6.114 2.849 506 H GLN 49 HN GLN 49 15.309 4.605 4.275 507 HA GLN 49 HA GLN 49 15.288 1.886 3.706 508 1HB GLN 49 2HB GLN 49 17.265 3.676 3.796 509 2HB GLN 49 3HB GLN 49 17.560 2.979 5.376 510 1HG GLN 49 2HG GLN 49 18.879 1.556 4.109 511 2HG GLN 49 3HG GLN 49 17.358 0.692 3.962 512 1HE2 GLN 49 2HE2 GLN 49 17.140 1.227 0.519 513 2HE2 GLN 49 1HE2 GLN 49 16.622 0.375 1.914 514 QB GLN 49 QB GLN 49 17.413 3.327 4.586 515 QG GLN 49 QG GLN 49 18.119 1.124 4.035 516 QE2 GLN 49 QE2 GLN 49 16.881 0.801 1.216 517 H GLN 50 HN GLN 50 15.701 3.453 6.821 518 HA GLN 50 HA GLN 50 15.853 1.088 8.445 519 1HB GLN 50 2HB GLN 50 16.411 3.475 9.197 520 2HB GLN 50 3HB GLN 50 14.679 3.752 9.287 521 1HG GLN 50 2HG GLN 50 14.808 1.432 10.689 522 2HG GLN 50 3HG GLN 50 16.408 2.068 11.031 523 1HE2 GLN 50 2HE2 GLN 50 14.204 5.109 12.200 524 2HE2 GLN 50 1HE2 GLN 50 14.739 4.868 10.608 525 QB GLN 50 QB GLN 50 15.545 3.614 9.242 526 QG GLN 50 QG GLN 50 15.608 1.750 10.860 527 QE2 GLN 50 QE2 GLN 50 14.471 4.988 11.404 528 H LYS 51 HN LYS 51 13.144 3.249 7.696 529 HA LYS 51 HA LYS 51 11.086 1.959 9.112 530 1HB LYS 51 2HB LYS 51 11.248 3.981 7.187 531 2HB LYS 51 3HB LYS 51 10.270 2.768 6.394 532 1HG LYS 51 2HG LYS 51 8.599 3.910 7.531 533 2HG LYS 51 3HG LYS 51 9.011 2.710 8.745 534 1HD LYS 51 2HD LYS 51 8.951 4.871 9.848 535 2HD LYS 51 3HD LYS 51 10.638 4.374 9.746 536 1HE LYS 51 2HE LYS 51 10.992 5.803 7.801 537 2HE LYS 51 3HE LYS 51 9.289 6.195 7.719 538 1HZ LYS 51 1HZ LYS 51 10.141 6.862 10.285 539 2HZ LYS 51 2HZ LYS 51 11.334 7.440 9.215 540 3HZ LYS 51 3HZ LYS 51 9.716 7.916 9.016 541 QB LYS 51 QB LYS 51 10.759 3.375 6.791 542 QG LYS 51 QG LYS 51 8.805 3.310 8.138 543 QD LYS 51 QD LYS 51 9.794 4.622 9.797 544 QE LYS 51 QE LYS 51 10.141 5.999 7.760 545 QZ LYS 51 QZ LYS 51 10.397 7.406 9.505 546 H ALA 52 HN ALA 52 12.173 1.334 5.802 547 HA ALA 52 HA ALA 52 10.503 -1.039 5.529 548 1HB ALA 52 2HB ALA 52 12.862 -0.085 3.847 549 2HB ALA 52 3HB ALA 52 11.745 -1.372 3.397 550 3HB ALA 52 1HB ALA 52 11.167 0.285 3.533 551 QB ALA 52 QB ALA 52 11.925 -0.391 3.592 552 H GLY 53 HN GLY 53 13.560 -0.271 6.829 553 1HA GLY 53 1HA GLY 53 15.318 -1.600 7.681 554 2HA GLY 53 2HA GLY 53 14.028 -2.728 8.109 555 QA GLY 53 QA GLY 53 14.673 -2.164 7.895 556 H LYS 54 HN LYS 54 14.757 -1.657 4.910 557 HA LYS 54 HA LYS 54 16.052 -4.220 4.182 558 1HB LYS 54 2HB LYS 54 13.492 -3.171 2.904 559 2HB LYS 54 3HB LYS 54 14.467 -4.448 2.197 560 1HG LYS 54 2HG LYS 54 13.323 -4.617 5.005 561 2HG LYS 54 3HG LYS 54 12.472 -5.212 3.598 562 1HD LYS 54 2HD LYS 54 14.193 -6.831 3.131 563 2HD LYS 54 3HD LYS 54 15.276 -6.125 4.326 564 1HE LYS 54 2HE LYS 54 12.557 -7.311 4.996 565 2HE LYS 54 3HE LYS 54 14.066 -8.208 5.121 566 1HZ LYS 54 3HZ LYS 54 14.456 -5.789 6.445 567 2HZ LYS 54 1HZ LYS 54 12.949 -6.356 6.954 568 3HZ LYS 54 2HZ LYS 54 14.332 -7.339 7.141 569 QB LYS 54 QB LYS 54 13.980 -3.810 2.550 570 QG LYS 54 QG LYS 54 12.897 -4.915 4.301 571 QD LYS 54 QD LYS 54 14.735 -6.478 3.728 572 QE LYS 54 QE LYS 54 13.312 -7.759 5.059 573 QZ LYS 54 QZ LYS 54 13.912 -6.495 6.847 574 HA PRO 55 HA PRO 55 18.190 -1.457 1.453 575 1HB PRO 55 2HB PRO 55 18.971 -3.201 -0.538 576 2HB PRO 55 3HB PRO 55 19.741 -3.124 1.050 577 1HG PRO 55 2HG PRO 55 17.722 -5.101 0.010 578 2HG PRO 55 3HG PRO 55 19.100 -5.382 1.086 579 1HD PRO 55 2HD PRO 55 16.474 -5.155 1.971 580 2HD PRO 55 3HD PRO 55 17.885 -4.788 2.985 581 QB PRO 55 QB PRO 55 19.356 -3.162 0.256 582 QG PRO 55 QG PRO 55 18.411 -5.242 0.548 583 QD PRO 55 QD PRO 55 17.179 -4.971 2.478 584 H VAL 56 HN VAL 56 15.812 -0.689 1.094 585 HA VAL 56 HA VAL 56 14.917 -1.209 -1.675 586 HB VAL 56 HB VAL 56 13.199 -1.457 -0.036 587 1HG1 VAL 56 2HG1 VAL 56 14.207 -0.059 1.735 588 2HG1 VAL 56 3HG1 VAL 56 13.847 1.385 0.799 589 3HG1 VAL 56 1HG1 VAL 56 12.535 0.398 1.433 590 1HG2 VAL 56 1HG2 VAL 56 12.922 1.157 -1.559 591 2HG2 VAL 56 2HG2 VAL 56 12.536 -0.447 -2.175 592 3HG2 VAL 56 3HG2 VAL 56 11.585 0.249 -0.866 593 QG1 VAL 56 QG1 VAL 56 13.530 0.575 1.323 594 QG2 VAL 56 QG2 VAL 56 12.348 0.319 -1.533 595 QQG VAL 56 QQG VAL 56 12.939 0.447 -0.105 596 H GLU 57 HN GLU 57 15.371 0.174 -3.283 597 HA GLU 57 HA GLU 57 16.141 2.982 -2.572 598 1HB GLU 57 2HB GLU 57 17.065 1.501 -5.046 599 2HB GLU 57 3HB GLU 57 17.728 2.969 -4.359 600 1HG GLU 57 2HG GLU 57 17.807 0.290 -2.927 601 2HG GLU 57 3HG GLU 57 19.111 0.879 -3.944 602 QB GLU 57 QB GLU 57 17.396 2.235 -4.702 603 QG GLU 57 QG GLU 57 18.459 0.584 -3.435 604 H THR 58 HN THR 58 13.710 1.266 -4.120 605 HA THR 58 HA THR 58 13.208 3.521 -6.025 606 HB THR 58 HB THR 58 11.890 1.813 -7.362 607 HG1 THR 58 1HG THR 58 12.848 -0.353 -6.224 608 1HG2 THR 58 1HG2 THR 58 14.695 0.826 -6.616 609 2HG2 THR 58 2HG2 THR 58 13.817 0.445 -8.100 610 3HG2 THR 58 3HG2 THR 58 14.385 2.084 -7.807 611 QG2 THR 58 QG2 THR 58 14.299 1.118 -7.508 612 H VAL 59 HN VAL 59 10.632 3.100 -6.664 613 HA VAL 59 HA VAL 59 9.127 3.281 -4.102 614 HB VAL 59 HB VAL 59 7.696 5.033 -5.441 615 1HG1 VAL 59 1HG1 VAL 59 9.148 5.589 -3.488 616 2HG1 VAL 59 2HG1 VAL 59 10.526 5.743 -4.571 617 3HG1 VAL 59 3HG1 VAL 59 9.175 6.865 -4.700 618 1HG2 VAL 59 2HG2 VAL 59 8.792 4.623 -7.635 619 2HG2 VAL 59 3HG2 VAL 59 8.980 6.296 -7.128 620 3HG2 VAL 59 1HG2 VAL 59 10.323 5.175 -6.964 621 QG1 VAL 59 QG1 VAL 59 9.616 6.066 -4.253 622 QG2 VAL 59 QG2 VAL 59 9.365 5.364 -7.242 623 QQG VAL 59 QQG VAL 59 9.491 5.715 -5.748 624 HA PRO 60 HA PRO 60 7.022 3.973 -3.867 625 1HB PRO 60 2HB PRO 60 4.670 2.916 -3.009 626 2HB PRO 60 3HB PRO 60 4.750 4.009 -4.400 627 1HG PRO 60 2HG PRO 60 4.448 1.009 -4.345 628 2HG PRO 60 3HG PRO 60 3.750 2.169 -5.482 629 1HD PRO 60 2HD PRO 60 6.039 0.598 -5.960 630 2HD PRO 60 3HD PRO 60 5.611 2.061 -6.870 631 QB PRO 60 QB PRO 60 4.710 3.462 -3.704 632 QG PRO 60 QG PRO 60 4.099 1.589 -4.914 633 QD PRO 60 QD PRO 60 5.825 1.330 -6.415 634 H GLN 61 HN GLN 61 7.106 3.628 -1.593 635 HA GLN 61 HA GLN 61 8.025 0.904 -0.856 636 1HB GLN 61 2HB GLN 61 8.170 3.455 0.800 637 2HB GLN 61 3HB GLN 61 9.057 1.955 1.071 638 1HG GLN 61 2HG GLN 61 9.838 2.420 -1.462 639 2HG GLN 61 3HG GLN 61 9.488 4.083 -1.007 640 1HE2 GLN 61 2HE2 GLN 61 13.052 3.297 -0.252 641 2HE2 GLN 61 1HE2 GLN 61 12.062 3.191 -1.642 642 QB GLN 61 QB GLN 61 8.614 2.705 0.936 643 QG GLN 61 QG GLN 61 9.663 3.252 -1.234 644 QE2 GLN 61 QE2 GLN 61 12.557 3.244 -0.947 645 H ILE 62 HN ILE 62 6.277 -0.213 -0.603 646 HA ILE 62 HA ILE 62 3.923 0.916 0.753 647 HB ILE 62 HB ILE 62 4.356 -1.856 -0.383 648 1HG1 ILE 62 2HG1 ILE 62 3.373 0.747 -1.578 649 2HG1 ILE 62 3HG1 ILE 62 4.657 -0.307 -2.169 650 1HG2 ILE 62 3HG2 ILE 62 2.480 -1.660 1.252 651 2HG2 ILE 62 1HG2 ILE 62 1.807 -0.328 0.317 652 3HG2 ILE 62 2HG2 ILE 62 1.877 -1.952 -0.371 653 1HD1 ILE 62 1HD1 ILE 62 2.950 -2.089 -2.550 654 2HD1 ILE 62 2HD1 ILE 62 1.693 -0.933 -2.114 655 3HD1 ILE 62 3HD1 ILE 62 2.694 -0.658 -3.533 656 QG1 ILE 62 QG1 ILE 62 4.015 0.220 -1.874 657 QG2 ILE 62 QG2 ILE 62 2.055 -1.313 0.399 658 QD1 ILE 62 QD1 ILE 62 2.446 -1.227 -2.733 659 H PHE 63 HN PHE 63 3.305 0.509 2.630 660 HA PHE 63 HA PHE 63 4.705 -1.533 4.328 661 1HB PHE 63 2HB PHE 63 3.823 1.262 5.139 662 2HB PHE 63 3HB PHE 63 4.443 0.051 6.250 663 HD1 PHE 63 2HD PHE 63 5.354 1.992 3.193 664 HD2 PHE 63 1HD PHE 63 6.784 -0.195 6.561 665 HE1 PHE 63 2HE PHE 63 7.622 2.815 2.771 666 HE2 PHE 63 1HE PHE 63 9.055 0.615 6.112 667 HZ PHE 63 HZ PHE 63 9.486 2.117 4.214 668 QB PHE 63 QB PHE 63 4.133 0.657 5.694 669 QR PHE 63 QR PHE 63 7.204 1.307 4.659 670 H VAL 64 HN VAL 64 3.430 -2.424 6.010 671 HA VAL 64 HA VAL 64 0.470 -2.032 5.684 672 HB VAL 64 HB VAL 64 1.997 -4.612 6.190 673 1HG1 VAL 64 3HG1 VAL 64 -0.999 -4.085 6.087 674 2HG1 VAL 64 1HG1 VAL 64 -0.257 -5.674 6.213 675 3HG1 VAL 64 2HG1 VAL 64 -0.089 -4.517 7.528 676 1HG2 VAL 64 1HG2 VAL 64 1.950 -3.845 3.825 677 2HG2 VAL 64 2HG2 VAL 64 0.959 -5.284 4.027 678 3HG2 VAL 64 3HG2 VAL 64 0.198 -3.703 3.904 679 QG1 VAL 64 QG1 VAL 64 -0.448 -4.758 6.609 680 QG2 VAL 64 QG2 VAL 64 1.036 -4.277 3.919 681 QQG VAL 64 QQG VAL 64 0.294 -4.518 5.264 682 H ASP 65 HN ASP 65 0.232 -0.686 7.363 683 HA ASP 65 HA ASP 65 -0.055 0.017 9.543 684 1HB ASP 65 2HB ASP 65 0.296 -2.948 10.065 685 2HB ASP 65 3HB ASP 65 -0.128 -1.790 11.313 686 QB ASP 65 QB ASP 65 0.084 -2.369 10.689 687 H GLN 66 HN GLN 66 2.255 -2.503 10.052 688 HA GLN 66 HA GLN 66 4.298 -0.487 10.822 689 1HB GLN 66 2HB GLN 66 3.410 -1.432 12.880 690 2HB GLN 66 3HB GLN 66 3.593 -3.064 12.262 691 1HG GLN 66 2HG GLN 66 5.413 -2.482 13.850 692 2HG GLN 66 3HG GLN 66 6.057 -2.806 12.249 693 1HE2 GLN 66 2HE2 GLN 66 7.452 0.422 11.973 694 2HE2 GLN 66 1HE2 GLN 66 7.291 -1.124 11.292 695 QB GLN 66 QB GLN 66 3.502 -2.248 12.571 696 QG GLN 66 QG GLN 66 5.735 -2.644 13.050 697 QE2 GLN 66 QE2 GLN 66 7.371 -0.351 11.632 698 H GLN 67 HN GLN 67 3.617 -3.352 9.013 699 HA GLN 67 HA GLN 67 6.472 -4.108 8.837 700 1HB GLN 67 2HB GLN 67 4.041 -5.229 7.405 701 2HB GLN 67 3HB GLN 67 5.624 -5.945 7.477 702 1HG GLN 67 2HG GLN 67 5.410 -6.530 9.764 703 2HG GLN 67 3HG GLN 67 4.038 -5.442 9.997 704 1HE2 GLN 67 2HE2 GLN 67 1.753 -7.610 8.253 705 2HE2 GLN 67 1HE2 GLN 67 2.077 -5.973 8.588 706 QB GLN 67 QB GLN 67 4.832 -5.587 7.441 707 QG GLN 67 QG GLN 67 4.724 -5.986 9.881 708 QE2 GLN 67 QE2 GLN 67 1.915 -6.792 8.420 709 H HIS 68 HN HIS 68 7.227 -4.629 6.565 710 HA HIS 68 HA HIS 68 6.368 -2.528 4.616 711 1HB HIS 68 2HB HIS 68 8.650 -2.129 5.512 712 2HB HIS 68 3HB HIS 68 9.124 -3.728 4.996 713 HD1 HIS 68 HD1 HIS 68 9.785 -3.978 2.620 714 HD2 HIS 68 HD2 HIS 68 8.022 -0.316 3.208 715 HE1 HIS 68 HE1 HIS 68 10.178 -2.649 0.520 716 QB HIS 68 QB HIS 68 8.887 -2.928 5.254 717 H ILE 69 HN ILE 69 6.283 -3.231 2.424 718 HA ILE 69 HA ILE 69 6.237 -6.221 2.139 719 HB ILE 69 HB ILE 69 4.641 -4.234 0.489 720 1HG1 ILE 69 2HG1 ILE 69 3.976 -3.913 2.825 721 2HG1 ILE 69 3HG1 ILE 69 2.708 -4.764 1.958 722 1HG2 ILE 69 2HG2 ILE 69 4.340 -7.212 1.018 723 2HG2 ILE 69 3HG2 ILE 69 3.235 -6.244 0.054 724 3HG2 ILE 69 1HG2 ILE 69 4.895 -6.475 -0.476 725 1HD1 ILE 69 1HD1 ILE 69 4.786 -6.095 3.744 726 2HD1 ILE 69 2HD1 ILE 69 3.112 -5.793 4.176 727 3HD1 ILE 69 3HD1 ILE 69 3.493 -6.914 2.886 728 QG1 ILE 69 QG1 ILE 69 3.342 -4.339 2.391 729 QG2 ILE 69 QG2 ILE 69 4.157 -6.644 0.199 730 QD1 ILE 69 QD1 ILE 69 3.797 -6.267 3.602 731 H GLY 70 HN GLY 70 6.582 -3.279 0.170 732 1HA GLY 70 1HA GLY 70 9.010 -3.556 -0.977 733 2HA GLY 70 2HA GLY 70 8.127 -4.813 -1.833 734 QA GLY 70 QA GLY 70 8.568 -4.184 -1.405 735 H GLY 71 HN GLY 71 7.798 -4.028 -3.817 736 1HA GLY 71 1HA GLY 71 6.913 -1.187 -4.143 737 2HA GLY 71 2HA GLY 71 7.710 -2.125 -5.395 738 QA GLY 71 QA GLY 71 7.312 -1.656 -4.769 739 OH TYR 72 OH TYR 72 -1.344 -5.182 -9.018 740 H TYR 72 HN TYR 72 6.408 -4.117 -6.172 741 HA TYR 72 HA TYR 72 3.475 -3.680 -5.827 742 1HB TYR 72 2HB TYR 72 4.102 -2.466 -7.927 743 2HB TYR 72 3HB TYR 72 4.717 -3.978 -8.596 744 HD1 TYR 72 HD1 TYR 72 3.109 -5.929 -8.873 745 HD2 TYR 72 HD2 TYR 72 1.710 -2.034 -7.847 746 HE1 TYR 72 HE1 TYR 72 0.809 -6.639 -9.296 747 HE2 TYR 72 HE2 TYR 72 -0.595 -2.755 -8.283 748 HH TYR 72 HH TYR 72 -1.903 -4.818 -8.321 749 QB TYR 72 QB TYR 72 4.409 -3.222 -8.262 750 QR TYR 72 QR TYR 72 1.258 -4.339 -8.575 751 H THR 73 HN THR 73 5.850 -5.694 -7.548 752 HA THR 73 HA THR 73 4.467 -8.067 -7.873 753 HB THR 73 HB THR 73 6.891 -9.070 -7.285 754 HG1 THR 73 1HG THR 73 7.923 -7.507 -6.204 755 1HG2 THR 73 3HG2 THR 73 6.106 -8.435 -9.638 756 2HG2 THR 73 1HG2 THR 73 6.645 -6.790 -9.317 757 3HG2 THR 73 2HG2 THR 73 7.816 -8.105 -9.371 758 QG2 THR 73 QG2 THR 73 6.856 -7.776 -9.442 759 H ASP 74 HN ASP 74 6.271 -7.067 -5.119 760 HA ASP 74 HA ASP 74 5.615 -9.190 -3.323 761 1HB ASP 74 2HB ASP 74 6.179 -6.448 -2.253 762 2HB ASP 74 3HB ASP 74 6.929 -7.986 -1.836 763 QB ASP 74 QB ASP 74 6.554 -7.217 -2.045 764 H PHE 75 HN PHE 75 4.098 -6.106 -4.024 765 HA PHE 75 HA PHE 75 2.269 -6.147 -1.797 766 1HB PHE 75 2HB PHE 75 2.820 -4.104 -3.162 767 2HB PHE 75 3HB PHE 75 1.931 -4.795 -4.507 768 HD1 PHE 75 2HD PHE 75 0.378 -5.578 -1.327 769 HD2 PHE 75 1HD PHE 75 0.685 -2.539 -4.305 770 HE1 PHE 75 2HE PHE 75 -1.607 -4.489 -0.418 771 HE2 PHE 75 1HE PHE 75 -1.332 -1.475 -3.407 772 HZ PHE 75 HZ PHE 75 -2.471 -2.437 -1.452 773 QB PHE 75 QB PHE 75 2.375 -4.449 -3.834 774 QR PHE 75 QR PHE 75 -0.469 -3.520 -2.364 775 H ALA 76 HN ALA 76 1.905 -7.049 -5.216 776 HA ALA 76 HA ALA 76 -0.798 -7.991 -4.981 777 1HB ALA 76 2HB ALA 76 0.292 -7.569 -7.170 778 2HB ALA 76 3HB ALA 76 1.370 -8.931 -6.890 779 3HB ALA 76 1HB ALA 76 -0.359 -9.203 -7.090 780 QB ALA 76 QB ALA 76 0.434 -8.568 -7.050 781 H ALA 77 HN ALA 77 2.303 -9.772 -4.933 782 HA ALA 77 HA ALA 77 1.177 -12.326 -4.352 783 1HB ALA 77 1HB ALA 77 3.856 -11.186 -3.445 784 2HB ALA 77 2HB ALA 77 3.420 -12.894 -3.430 785 3HB ALA 77 3HB ALA 77 3.561 -12.034 -4.959 786 QB ALA 77 QB ALA 77 3.612 -12.038 -3.945 787 CH2 TRP 78 CH2 TRP 78 -1.049 -6.933 3.910 788 H TRP 78 HN TRP 78 2.638 -9.989 -2.104 789 HA TRP 78 HA TRP 78 2.053 -11.196 0.340 790 1HB TRP 78 2HB TRP 78 3.235 -9.026 0.068 791 2HB TRP 78 3HB TRP 78 1.731 -8.265 -0.349 792 HD1 TRP 78 HD1 TRP 78 3.546 -9.782 2.706 793 HE1 TRP 78 HE1 TRP 78 2.394 -9.060 4.807 794 HE3 TRP 78 HE3 TRP 78 -0.286 -7.368 0.630 795 HZ2 TRP 78 HZ2 TRP 78 0.094 -7.669 5.562 796 HZ3 TRP 78 HZ3 TRP 78 -1.978 -6.309 2.090 797 HH2 TRP 78 HH2 TRP 78 -1.806 -6.480 4.533 798 QB TRP 78 QB TRP 78 2.483 -8.645 -0.140 799 H VAL 79 HN VAL 79 0.002 -8.925 -1.402 800 HA VAL 79 HA VAL 79 -2.299 -8.907 0.133 801 HB VAL 79 HB VAL 79 -1.762 -8.742 -2.829 802 1HG1 VAL 79 2HG1 VAL 79 -4.544 -8.742 -1.619 803 2HG1 VAL 79 3HG1 VAL 79 -4.160 -8.246 -3.258 804 3HG1 VAL 79 1HG1 VAL 79 -3.925 -9.912 -2.770 805 1HG2 VAL 79 3HG2 VAL 79 -1.364 -6.797 -1.363 806 2HG2 VAL 79 1HG2 VAL 79 -2.636 -6.462 -2.527 807 3HG2 VAL 79 2HG2 VAL 79 -3.043 -6.830 -0.855 808 QG1 VAL 79 QG1 VAL 79 -4.210 -8.967 -2.549 809 QG2 VAL 79 QG2 VAL 79 -2.348 -6.696 -1.581 810 QQG VAL 79 QQG VAL 79 -3.279 -7.831 -2.065 811 H LYS 80 HN LYS 80 -1.708 -11.075 -2.612 812 HA LYS 80 HA LYS 80 -3.916 -12.754 -2.268 813 1HB LYS 80 2HB LYS 80 -2.419 -12.898 -4.228 814 2HB LYS 80 3HB LYS 80 -1.131 -13.521 -3.207 815 1HG LYS 80 2HG LYS 80 -2.209 -15.380 -4.377 816 2HG LYS 80 3HG LYS 80 -2.521 -15.510 -2.657 817 1HD LYS 80 2HD LYS 80 -4.758 -14.251 -3.177 818 2HD LYS 80 3HD LYS 80 -4.421 -14.641 -4.856 819 1HE LYS 80 2HE LYS 80 -5.799 -16.413 -4.026 820 2HE LYS 80 3HE LYS 80 -4.167 -17.073 -4.104 821 1HZ LYS 80 2HZ LYS 80 -4.524 -15.835 -1.594 822 2HZ LYS 80 3HZ LYS 80 -5.863 -16.851 -1.888 823 3HZ LYS 80 1HZ LYS 80 -4.275 -17.490 -1.928 824 QB LYS 80 QB LYS 80 -1.775 -13.209 -3.717 825 QG LYS 80 QG LYS 80 -2.365 -15.445 -3.517 826 QD LYS 80 QD LYS 80 -4.590 -14.446 -4.016 827 QE LYS 80 QE LYS 80 -4.983 -16.743 -4.065 828 QZ LYS 80 QZ LYS 80 -4.887 -16.725 -1.803 829 H GLU 81 HN GLU 81 -0.788 -13.041 -0.595 830 HA GLU 81 HA GLU 81 -1.943 -15.332 0.941 831 1HB GLU 81 2HB GLU 81 0.425 -15.805 1.570 832 2HB GLU 81 3HB GLU 81 0.217 -15.716 -0.173 833 1HG GLU 81 2HG GLU 81 0.913 -13.227 0.058 834 2HG GLU 81 3HG GLU 81 1.474 -13.664 1.661 835 QB GLU 81 QB GLU 81 0.321 -15.760 0.698 836 QG GLU 81 QG GLU 81 1.194 -13.445 0.859 837 H ASN 82 HN ASN 82 -2.753 -12.682 1.537 838 HA ASN 82 HA ASN 82 -2.123 -12.676 4.445 839 1HB ASN 82 2HB ASN 82 -1.559 -10.397 2.552 840 2HB ASN 82 3HB ASN 82 -2.030 -10.044 4.208 841 1HD2 ASN 82 2HD2 ASN 82 1.562 -11.870 3.501 842 2HD2 ASN 82 1HD2 ASN 82 0.341 -11.923 2.319 843 QB ASN 82 QB ASN 82 -1.794 -10.220 3.380 844 QD2 ASN 82 QD2 ASN 82 0.951 -11.896 2.910 845 H LEU 83 HN LEU 83 -4.003 -11.444 1.788 846 HA LEU 83 HA LEU 83 -6.206 -10.705 3.615 847 1HB LEU 83 2HB LEU 83 -5.978 -10.330 0.616 848 2HB LEU 83 3HB LEU 83 -7.087 -9.509 1.701 849 HG LEU 83 HG LEU 83 -4.059 -9.237 1.625 850 1HD1 LEU 83 3HD1 LEU 83 -5.325 -7.947 -0.061 851 2HD1 LEU 83 1HD1 LEU 83 -6.291 -7.228 1.214 852 3HD1 LEU 83 2HD1 LEU 83 -4.568 -6.891 1.119 853 1HD2 LEU 83 1HD2 LEU 83 -6.046 -8.033 3.593 854 2HD2 LEU 83 2HD2 LEU 83 -4.791 -9.204 3.977 855 3HD2 LEU 83 3HD2 LEU 83 -4.350 -7.583 3.471 856 QB LEU 83 QB LEU 83 -6.533 -9.920 1.158 857 QD1 LEU 83 QD1 LEU 83 -5.395 -7.355 0.757 858 QD2 LEU 83 QD2 LEU 83 -5.062 -8.273 3.680 859 QQD LEU 83 QQD LEU 83 -5.229 -7.814 2.219 860 H ASP 84 HN ASP 84 -5.283 -13.099 1.321 861 HA ASP 84 HA ASP 84 -8.011 -14.217 1.060 862 1HB ASP 84 2HB ASP 84 -6.020 -14.084 -0.764 863 2HB ASP 84 3HB ASP 84 -5.571 -15.595 -0.008 864 QB ASP 84 QB ASP 84 -5.796 -14.839 -0.386 865 H ALA 85 HN ALA 85 -4.856 -15.442 1.693 866 HA ALA 85 HA ALA 85 -5.806 -17.096 3.968 867 1HB ALA 85 1HB ALA 85 -5.636 -18.529 1.934 868 2HB ALA 85 2HB ALA 85 -3.960 -18.026 1.734 869 3HB ALA 85 3HB ALA 85 -4.431 -18.981 3.136 870 QB ALA 85 QB ALA 85 -4.676 -18.512 2.268 Start of MODEL 7 Raw file had 870 H/Q atoms Start of MODEL 7 1 H MET 1 HN MET 1 -6.403 -4.079 8.161 2 HA MET 1 HA MET 1 -4.503 -2.911 9.894 3 1HB MET 1 2HB MET 1 -4.188 -4.137 7.127 4 2HB MET 1 3HB MET 1 -2.844 -3.740 8.185 5 1HG MET 1 2HG MET 1 -3.355 -6.086 8.434 6 2HG MET 1 3HG MET 1 -3.772 -5.252 9.908 7 1HE MET 1 1HE MET 1 -4.627 -6.713 6.753 8 2HE MET 1 2HE MET 1 -6.021 -7.737 7.071 9 3HE MET 1 3HE MET 1 -6.251 -6.087 6.488 10 QB MET 1 QB MET 1 -3.516 -3.938 7.656 11 QG MET 1 QG MET 1 -3.564 -5.669 9.171 12 QE MET 1 QE MET 1 -5.633 -6.846 6.770 13 H GLN 2 HN GLN 2 -2.947 -1.298 9.430 14 HA GLN 2 HA GLN 2 -4.028 0.888 7.843 15 1HB GLN 2 2HB GLN 2 -2.261 0.587 10.078 16 2HB GLN 2 3HB GLN 2 -1.340 1.407 8.827 17 1HG GLN 2 2HG GLN 2 -4.080 2.255 9.856 18 2HG GLN 2 3HG GLN 2 -2.554 3.023 10.267 19 1HE2 GLN 2 2HE2 GLN 2 -2.607 3.609 6.388 20 2HE2 GLN 2 1HE2 GLN 2 -1.826 2.357 7.223 21 QB GLN 2 QB GLN 2 -1.801 0.997 9.452 22 QG GLN 2 QG GLN 2 -3.317 2.639 10.062 23 QE2 GLN 2 QE2 GLN 2 -2.217 2.983 6.805 24 H THR 3 HN THR 3 -3.795 0.639 5.632 25 HA THR 3 HA THR 3 -1.225 -0.480 4.652 26 HB THR 3 HB THR 3 -3.671 0.164 2.948 27 HG1 THR 3 1HG THR 3 -4.165 -1.158 4.836 28 1HG2 THR 3 2HG2 THR 3 -1.533 -2.019 2.854 29 2HG2 THR 3 3HG2 THR 3 -2.784 -1.741 1.651 30 3HG2 THR 3 1HG2 THR 3 -1.492 -0.565 1.857 31 QG2 THR 3 QG2 THR 3 -1.936 -1.442 2.121 32 H VAL 4 HN VAL 4 0.299 0.927 4.168 33 HA VAL 4 HA VAL 4 -0.510 3.600 3.076 34 HB VAL 4 HB VAL 4 1.978 3.069 4.711 35 1HG1 VAL 4 1HG1 VAL 4 0.459 5.593 3.961 36 2HG1 VAL 4 2HG1 VAL 4 1.882 5.543 4.994 37 3HG1 VAL 4 3HG1 VAL 4 2.010 5.083 3.301 38 1HG2 VAL 4 1HG2 VAL 4 -0.735 4.036 5.672 39 2HG2 VAL 4 2HG2 VAL 4 0.049 2.527 6.123 40 3HG2 VAL 4 3HG2 VAL 4 0.737 4.063 6.634 41 QG1 VAL 4 QG1 VAL 4 1.450 5.406 4.085 42 QG2 VAL 4 QG2 VAL 4 0.017 3.542 6.143 43 QQG VAL 4 QQG VAL 4 0.734 4.474 5.114 44 H ILE 5 HN ILE 5 0.420 4.271 1.262 45 HA ILE 5 HA ILE 5 2.678 2.637 0.134 46 HB ILE 5 HB ILE 5 1.198 4.675 -1.509 47 1HG1 ILE 5 2HG1 ILE 5 -0.667 3.420 -0.691 48 2HG1 ILE 5 3HG1 ILE 5 -0.343 2.951 -2.353 49 1HG2 ILE 5 1HG2 ILE 5 3.221 3.613 -2.400 50 2HG2 ILE 5 2HG2 ILE 5 2.500 2.021 -2.179 51 3HG2 ILE 5 3HG2 ILE 5 1.812 3.150 -3.341 52 1HD1 ILE 5 3HD1 ILE 5 0.571 1.394 0.097 53 2HD1 ILE 5 1HD1 ILE 5 -0.791 0.966 -0.930 54 3HD1 ILE 5 2HD1 ILE 5 0.847 0.928 -1.573 55 QG1 ILE 5 QG1 ILE 5 -0.505 3.186 -1.522 56 QG2 ILE 5 QG2 ILE 5 2.511 2.928 -2.640 57 QD1 ILE 5 QD1 ILE 5 0.209 1.096 -0.802 58 H PHE 6 HN PHE 6 4.596 3.613 0.191 59 HA PHE 6 HA PHE 6 4.739 6.579 0.457 60 1HB PHE 6 2HB PHE 6 6.812 4.387 0.872 61 2HB PHE 6 3HB PHE 6 7.154 6.106 1.032 62 HD1 PHE 6 2HD PHE 6 5.143 3.310 2.417 63 HD2 PHE 6 1HD PHE 6 6.433 7.329 2.982 64 HE1 PHE 6 2HE PHE 6 4.174 3.306 4.666 65 HE2 PHE 6 1HE PHE 6 5.485 7.307 5.246 66 HZ PHE 6 HZ PHE 6 4.376 5.294 6.104 67 QB PHE 6 QB PHE 6 6.983 5.246 0.952 68 QR PHE 6 QR PHE 6 5.309 5.313 3.828 69 H GLY 7 HN GLY 7 4.941 7.609 -1.402 70 1HA GLY 7 1HA GLY 7 6.472 6.305 -3.638 71 2HA GLY 7 2HA GLY 7 5.021 7.255 -3.932 72 QA GLY 7 QA GLY 7 5.747 6.780 -3.785 73 NH1 ARG 8 NH1 ARG 8 13.185 10.641 -7.066 74 NH2 ARG 8 NH2 ARG 8 12.280 10.220 -9.130 75 H ARG 8 HN ARG 8 6.047 8.798 -5.215 76 HA ARG 8 HA ARG 8 7.762 10.707 -3.711 77 1HB ARG 8 2HB ARG 8 9.199 9.134 -5.169 78 2HB ARG 8 3HB ARG 8 8.455 9.920 -6.551 79 1HG ARG 8 2HG ARG 8 9.240 12.096 -5.011 80 2HG ARG 8 3HG ARG 8 10.527 10.945 -4.707 81 1HD ARG 8 2HD ARG 8 9.564 11.860 -7.455 82 2HD ARG 8 3HD ARG 8 11.072 12.336 -6.677 83 HE ARG 8 HE ARG 8 10.552 9.437 -7.237 84 1HH1 ARG 8 2HH1 ARG 8 13.023 10.773 -6.085 85 2HH1 ARG 8 1HH1 ARG 8 14.113 10.711 -7.430 86 1HH2 ARG 8 2HH2 ARG 8 11.458 10.039 -9.674 87 2HH2 ARG 8 1HH2 ARG 8 13.169 10.283 -9.580 88 QB ARG 8 QB ARG 8 8.827 9.527 -5.860 89 QG ARG 8 QG ARG 8 9.883 11.521 -4.859 90 QD ARG 8 QD ARG 8 10.318 12.098 -7.066 91 QH1 ARG 8 QH1 ARG 8 13.568 10.742 -6.757 92 QH2 ARG 8 QH2 ARG 8 12.313 10.161 -9.627 93 H SER 9 HN SER 9 7.440 12.730 -4.178 94 HA SER 9 HA SER 9 5.091 13.739 -5.261 95 1HB SER 9 2HB SER 9 6.510 14.945 -3.670 96 2HB SER 9 3HB SER 9 7.790 15.102 -4.881 97 HG SER 9 HG SER 9 6.477 16.381 -6.112 98 QB SER 9 QB SER 9 7.150 15.023 -4.276 99 H GLY 10 HN GLY 10 5.094 12.460 -7.345 100 1HA GLY 10 1HA GLY 10 4.746 13.414 -9.651 101 2HA GLY 10 2HA GLY 10 6.360 14.084 -9.526 102 QA GLY 10 QA GLY 10 5.553 13.749 -9.589 103 H CYS 11 HN CYS 11 5.754 10.810 -8.388 104 HA CYS 11 HA CYS 11 7.140 9.837 -10.870 105 1HB CYS 11 2HB CYS 11 8.401 9.826 -8.638 106 2HB CYS 11 3HB CYS 11 7.315 8.551 -8.148 107 HG CYS 11 HG CYS 11 9.638 8.248 -10.148 108 QB CYS 11 QB CYS 11 7.858 9.189 -8.393 109 HA PRO 12 HA PRO 12 3.484 7.377 -11.226 110 1HB PRO 12 2HB PRO 12 4.182 5.857 -13.394 111 2HB PRO 12 3HB PRO 12 3.837 7.587 -13.525 112 1HG PRO 12 2HG PRO 12 6.502 6.174 -13.466 113 2HG PRO 12 3HG PRO 12 6.019 7.595 -14.402 114 1HD PRO 12 2HD PRO 12 7.496 7.682 -12.022 115 2HD PRO 12 3HD PRO 12 6.563 9.048 -12.675 116 QB PRO 12 QB PRO 12 4.010 6.722 -13.459 117 QG PRO 12 QG PRO 12 6.261 6.884 -13.934 118 QD PRO 12 QD PRO 12 7.029 8.365 -12.348 119 OH TYR 13 OH TYR 13 10.842 4.773 -11.682 120 H TYR 13 HN TYR 13 4.863 6.455 -9.103 121 HA TYR 13 HA TYR 13 5.157 3.503 -9.551 122 1HB TYR 13 2HB TYR 13 6.418 5.344 -7.501 123 2HB TYR 13 3HB TYR 13 6.548 3.601 -7.435 124 HD1 TYR 13 HD1 TYR 13 6.538 3.827 -10.805 125 HD2 TYR 13 HD2 TYR 13 8.989 5.114 -7.579 126 HE1 TYR 13 HE1 TYR 13 8.421 4.019 -12.322 127 HE2 TYR 13 HE2 TYR 13 10.891 5.285 -9.116 128 HH TYR 13 HH TYR 13 11.241 3.903 -11.770 129 QB TYR 13 QB TYR 13 6.483 4.472 -7.468 130 QR TYR 13 QR TYR 13 8.710 4.561 -9.956 131 H CYS 14 HN CYS 14 4.306 5.485 -6.611 132 HA CYS 14 HA CYS 14 2.742 3.402 -5.468 133 1HB CYS 14 2HB CYS 14 3.120 5.272 -4.046 134 2HB CYS 14 3HB CYS 14 2.480 6.402 -5.217 135 HG CYS 14 HG CYS 14 0.149 5.928 -4.448 136 QB CYS 14 QB CYS 14 2.800 5.837 -4.631 137 H VAL 15 HN VAL 15 2.080 5.653 -7.948 138 HA VAL 15 HA VAL 15 -0.648 5.728 -8.216 139 HB VAL 15 HB VAL 15 1.254 5.336 -10.561 140 1HG1 VAL 15 1HG1 VAL 15 -1.282 6.987 -10.237 141 2HG1 VAL 15 2HG1 VAL 15 -0.270 6.955 -11.679 142 3HG1 VAL 15 3HG1 VAL 15 -1.126 5.507 -11.169 143 1HG2 VAL 15 1HG2 VAL 15 0.764 7.836 -8.889 144 2HG2 VAL 15 2HG2 VAL 15 2.288 6.974 -9.042 145 3HG2 VAL 15 3HG2 VAL 15 1.620 7.827 -10.423 146 QG1 VAL 15 QG1 VAL 15 -0.892 6.483 -11.029 147 QG2 VAL 15 QG2 VAL 15 1.557 7.546 -9.451 148 QQG VAL 15 QQG VAL 15 0.333 7.014 -10.240 149 NH1 ARG 16 NH2 ARG 16 -2.695 2.019 -11.331 150 NH2 ARG 16 NH1 ARG 16 -3.465 -0.036 -11.911 151 H ARG 16 HN ARG 16 1.210 2.861 -8.391 152 HA ARG 16 HA ARG 16 -1.114 1.468 -9.666 153 1HB ARG 16 2HB ARG 16 1.791 0.652 -9.344 154 2HB ARG 16 3HB ARG 16 0.550 -0.417 -9.976 155 1HG ARG 16 2HG ARG 16 0.975 2.338 -11.164 156 2HG ARG 16 3HG ARG 16 1.944 0.977 -11.687 157 1HD ARG 16 2HD ARG 16 -0.479 1.660 -12.808 158 2HD ARG 16 3HD ARG 16 0.230 0.053 -12.889 159 HE ARG 16 HE ARG 16 -1.150 -0.507 -10.841 160 1HH1 ARG 16 2HH2 ARG 16 -1.947 2.605 -11.019 161 2HH1 ARG 16 1HH2 ARG 16 -3.617 2.415 -11.424 162 1HH2 ARG 16 2HH1 ARG 16 -3.278 -0.990 -12.144 163 2HH2 ARG 16 1HH1 ARG 16 -4.416 0.306 -11.925 164 QB ARG 16 QB ARG 16 1.170 0.117 -9.660 165 QG ARG 16 QG ARG 16 1.459 1.658 -11.426 166 QD ARG 16 QD ARG 16 -0.125 0.857 -12.849 167 QH1 ARG 16 QH2 ARG 16 -2.782 2.510 -11.221 168 QH2 ARG 16 QH1 ARG 16 -3.847 -0.342 -12.035 169 H ALA 17 HN ALA 17 1.051 1.317 -6.875 170 HA ALA 17 HA ALA 17 -0.218 -0.880 -5.567 171 1HB ALA 17 2HB ALA 17 1.864 0.201 -4.685 172 2HB ALA 17 3HB ALA 17 0.917 1.625 -4.267 173 3HB ALA 17 1HB ALA 17 0.609 0.094 -3.452 174 QB ALA 17 QB ALA 17 1.130 0.640 -4.135 175 H LYS 18 HN LYS 18 -0.905 2.553 -5.754 176 HA LYS 18 HA LYS 18 -3.084 2.728 -3.944 177 1HB LYS 18 2HB LYS 18 -2.006 4.691 -5.066 178 2HB LYS 18 3HB LYS 18 -2.681 4.170 -6.604 179 1HG LYS 18 2HG LYS 18 -4.873 4.262 -4.783 180 2HG LYS 18 3HG LYS 18 -3.937 5.716 -4.482 181 1HD LYS 18 2HD LYS 18 -5.489 6.295 -6.221 182 2HD LYS 18 3HD LYS 18 -3.933 6.104 -7.013 183 1HE LYS 18 2HE LYS 18 -5.675 4.963 -8.320 184 2HE LYS 18 3HE LYS 18 -4.560 3.779 -7.654 185 1HZ LYS 18 3HZ LYS 18 -6.639 4.262 -5.796 186 2HZ LYS 18 1HZ LYS 18 -7.338 3.903 -7.302 187 3HZ LYS 18 2HZ LYS 18 -6.230 2.818 -6.581 188 QB LYS 18 QB LYS 18 -2.343 4.431 -5.835 189 QG LYS 18 QG LYS 18 -4.405 4.989 -4.633 190 QD LYS 18 QD LYS 18 -4.711 6.199 -6.617 191 QE LYS 18 QE LYS 18 -5.118 4.371 -7.987 192 QZ LYS 18 QZ LYS 18 -6.736 3.661 -6.560 193 H ASP 19 HN ASP 19 -2.940 1.690 -7.300 194 HA ASP 19 HA ASP 19 -5.781 1.398 -7.692 195 1HB ASP 19 2HB ASP 19 -3.302 0.742 -9.113 196 2HB ASP 19 3HB ASP 19 -4.585 -0.399 -9.430 197 QB ASP 19 QB ASP 19 -3.943 0.171 -9.272 198 H LEU 20 HN LEU 20 -3.327 -1.125 -7.303 199 HA LEU 20 HA LEU 20 -5.173 -3.258 -6.917 200 1HB LEU 20 2HB LEU 20 -2.894 -3.826 -7.375 201 2HB LEU 20 3HB LEU 20 -2.300 -2.903 -6.006 202 HG LEU 20 HG LEU 20 -3.258 -4.503 -4.428 203 1HD1 LEU 20 1HD1 LEU 20 -4.384 -5.940 -6.862 204 2HD1 LEU 20 2HD1 LEU 20 -4.483 -6.505 -5.197 205 3HD1 LEU 20 3HD1 LEU 20 -5.337 -5.050 -5.685 206 1HD2 LEU 20 3HD2 LEU 20 -1.077 -5.116 -5.444 207 2HD2 LEU 20 1HD2 LEU 20 -2.033 -6.541 -5.059 208 3HD2 LEU 20 2HD2 LEU 20 -1.923 -5.979 -6.724 209 QB LEU 20 QB LEU 20 -2.597 -3.364 -6.691 210 QD1 LEU 20 QD1 LEU 20 -4.735 -5.832 -5.914 211 QD2 LEU 20 QD2 LEU 20 -1.678 -5.879 -5.742 212 QQD LEU 20 QQD LEU 20 -3.206 -5.855 -5.828 213 H ALA 21 HN ALA 21 -3.644 -1.114 -4.544 214 HA ALA 21 HA ALA 21 -4.789 -2.431 -2.255 215 1HB ALA 21 1HB ALA 21 -2.888 -0.831 -2.067 216 2HB ALA 21 2HB ALA 21 -3.937 0.480 -2.583 217 3HB ALA 21 3HB ALA 21 -4.230 -0.328 -1.048 218 QB ALA 21 QB ALA 21 -3.685 -0.226 -1.900 219 H GLU 22 HN GLU 22 -5.772 0.415 -4.144 220 HA GLU 22 HA GLU 22 -8.130 1.122 -2.821 221 1HB GLU 22 2HB GLU 22 -7.129 2.279 -4.784 222 2HB GLU 22 3HB GLU 22 -7.743 1.014 -5.829 223 1HG GLU 22 2HG GLU 22 -9.943 1.745 -5.605 224 2HG GLU 22 3HG GLU 22 -9.657 2.474 -4.024 225 QB GLU 22 QB GLU 22 -7.436 1.647 -5.307 226 QG GLU 22 QG GLU 22 -9.800 2.109 -4.814 227 H LYS 23 HN LYS 23 -7.682 -1.308 -5.358 228 HA LYS 23 HA LYS 23 -10.285 -2.294 -5.560 229 1HB LYS 23 2HB LYS 23 -8.478 -3.188 -6.937 230 2HB LYS 23 3HB LYS 23 -7.702 -3.883 -5.533 231 1HG LYS 23 2HG LYS 23 -8.845 -5.667 -6.675 232 2HG LYS 23 3HG LYS 23 -9.708 -5.346 -5.188 233 1HD LYS 23 2HD LYS 23 -10.619 -3.871 -7.640 234 2HD LYS 23 3HD LYS 23 -10.957 -5.592 -7.579 235 1HE LYS 23 2HE LYS 23 -11.868 -3.480 -5.593 236 2HE LYS 23 3HE LYS 23 -12.871 -4.462 -6.646 237 1HZ LYS 23 1HZ LYS 23 -11.331 -6.236 -5.134 238 2HZ LYS 23 2HZ LYS 23 -11.879 -5.052 -4.056 239 3HZ LYS 23 3HZ LYS 23 -13.003 -5.937 -4.980 240 QB LYS 23 QB LYS 23 -8.090 -3.535 -6.235 241 QG LYS 23 QG LYS 23 -9.276 -5.506 -5.931 242 QD LYS 23 QD LYS 23 -10.788 -4.731 -7.610 243 QE LYS 23 QE LYS 23 -12.370 -3.971 -6.120 244 QZ LYS 23 QZ LYS 23 -12.071 -5.742 -4.723 245 H LEU 24 HN LEU 24 -7.860 -3.426 -3.224 246 HA LEU 24 HA LEU 24 -9.615 -5.190 -1.756 247 1HB LEU 24 2HB LEU 24 -7.004 -3.826 -1.052 248 2HB LEU 24 3HB LEU 24 -7.770 -5.014 -0.011 249 HG LEU 24 HG LEU 24 -7.248 -5.627 -2.931 250 1HD1 LEU 24 2HD1 LEU 24 -5.094 -4.926 -1.903 251 2HD1 LEU 24 3HD1 LEU 24 -5.348 -6.083 -0.611 252 3HD1 LEU 24 1HD1 LEU 24 -5.110 -6.644 -2.257 253 1HD2 LEU 24 1HD2 LEU 24 -7.518 -7.328 -0.419 254 2HD2 LEU 24 2HD2 LEU 24 -8.742 -7.140 -1.661 255 3HD2 LEU 24 3HD2 LEU 24 -7.232 -7.955 -2.037 256 QB LEU 24 QB LEU 24 -7.387 -4.420 -0.532 257 QD1 LEU 24 QD1 LEU 24 -5.184 -5.884 -1.590 258 QD2 LEU 24 QD2 LEU 24 -7.831 -7.475 -1.373 259 QQD LEU 24 QQD LEU 24 -6.507 -6.679 -1.482 260 H SER 25 HN SER 25 -8.531 -1.865 -1.038 261 HA SER 25 HA SER 25 -10.006 -1.587 1.358 262 1HB SER 25 2HB SER 25 -10.073 0.967 0.526 263 2HB SER 25 3HB SER 25 -8.533 0.224 0.996 264 HG SER 25 HG SER 25 -9.516 -0.203 -1.585 265 QB SER 25 QB SER 25 -9.303 0.595 0.761 266 H ASN 26 HN ASN 26 -11.181 -1.570 -1.924 267 HA ASN 26 HA ASN 26 -13.815 -0.511 -1.045 268 1HB ASN 26 2HB ASN 26 -12.805 0.119 -3.283 269 2HB ASN 26 3HB ASN 26 -12.986 -1.560 -3.782 270 1HD2 ASN 26 2HD2 ASN 26 -16.475 -1.271 -4.365 271 2HD2 ASN 26 1HD2 ASN 26 -15.173 -2.349 -4.182 272 QB ASN 26 QB ASN 26 -12.896 -0.720 -3.533 273 QD2 ASN 26 QD2 ASN 26 -15.824 -1.810 -4.274 274 H GLU 27 HN GLU 27 -12.634 -3.091 -0.115 275 HA GLU 27 HA GLU 27 -14.876 -4.895 -0.980 276 1HB GLU 27 2HB GLU 27 -12.083 -5.612 0.002 277 2HB GLU 27 3HB GLU 27 -13.343 -6.780 -0.324 278 1HG GLU 27 2HG GLU 27 -13.390 -6.165 -2.668 279 2HG GLU 27 3HG GLU 27 -12.273 -4.842 -2.361 280 QB GLU 27 QB GLU 27 -12.713 -6.196 -0.161 281 QG GLU 27 QG GLU 27 -12.832 -5.504 -2.515 282 NH1 ARG 28 NH2 ARG 28 -12.712 -10.958 2.019 283 NH2 ARG 28 NH1 ARG 28 -11.335 -10.071 0.406 284 H ARG 28 HN ARG 28 -12.595 -4.596 1.714 285 HA ARG 28 HA ARG 28 -14.891 -5.038 3.591 286 1HB ARG 28 2HB ARG 28 -12.053 -6.083 3.911 287 2HB ARG 28 3HB ARG 28 -13.381 -6.357 5.029 288 1HG ARG 28 2HG ARG 28 -13.683 -8.285 3.856 289 2HG ARG 28 3HG ARG 28 -14.504 -7.250 2.696 290 1HD ARG 28 2HD ARG 28 -12.282 -6.916 1.538 291 2HD ARG 28 3HD ARG 28 -11.583 -8.103 2.621 292 HE ARG 28 HE ARG 28 -13.787 -8.745 0.669 293 1HH1 ARG 28 2HH2 ARG 28 -13.502 -10.841 2.616 294 2HH1 ARG 28 1HH2 ARG 28 -12.181 -11.822 2.052 295 1HH2 ARG 28 2HH1 ARG 28 -11.129 -9.301 -0.217 296 2HH2 ARG 28 1HH1 ARG 28 -10.746 -10.888 0.416 297 QB ARG 28 QB ARG 28 -12.717 -6.220 4.470 298 QG ARG 28 QG ARG 28 -14.093 -7.768 3.276 299 QD ARG 28 QD ARG 28 -11.933 -7.510 2.080 300 QH1 ARG 28 QH2 ARG 28 -12.841 -11.332 2.334 301 QH2 ARG 28 QH1 ARG 28 -10.938 -10.095 0.100 302 H ASP 29 HN ASP 29 -13.660 -4.742 5.942 303 HA ASP 29 HA ASP 29 -12.829 -1.884 5.939 304 1HB ASP 29 2HB ASP 29 -13.616 -1.939 8.318 305 2HB ASP 29 3HB ASP 29 -14.885 -2.364 7.178 306 QB ASP 29 QB ASP 29 -14.251 -2.152 7.748 307 H ASP 30 HN ASP 30 -11.472 -4.932 6.227 308 HA ASP 30 HA ASP 30 -9.533 -4.239 8.337 309 1HB ASP 30 2HB ASP 30 -8.615 -6.441 8.015 310 2HB ASP 30 3HB ASP 30 -10.357 -6.640 7.884 311 QB ASP 30 QB ASP 30 -9.486 -6.540 7.949 312 H PHE 31 HN PHE 31 -9.977 -3.638 5.077 313 HA PHE 31 HA PHE 31 -7.058 -3.112 4.716 314 1HB PHE 31 2HB PHE 31 -8.186 -4.794 3.184 315 2HB PHE 31 3HB PHE 31 -9.127 -3.455 2.531 316 HD1 PHE 31 1HD PHE 31 -7.883 -1.507 1.496 317 HD2 PHE 31 2HD PHE 31 -5.875 -5.049 2.626 318 HE1 PHE 31 1HE PHE 31 -6.014 -0.878 0.066 319 HE2 PHE 31 2HE PHE 31 -3.981 -4.434 1.193 320 HZ PHE 31 HZ PHE 31 -4.032 -2.335 -0.066 321 QB PHE 31 QB PHE 31 -8.656 -4.125 2.858 322 QR PHE 31 QR PHE 31 -5.938 -2.967 1.345 323 H GLN 32 HN GLN 32 -6.931 -1.045 5.497 324 HA GLN 32 HA GLN 32 -8.592 1.056 4.150 325 1HB GLN 32 2HB GLN 32 -6.954 1.328 6.705 326 2HB GLN 32 3HB GLN 32 -8.149 2.454 6.069 327 1HG GLN 32 2HG GLN 32 -9.783 1.378 7.217 328 2HG GLN 32 3HG GLN 32 -9.430 -0.114 6.368 329 1HE2 GLN 32 2HE2 GLN 32 -8.644 0.026 10.232 330 2HE2 GLN 32 1HE2 GLN 32 -9.712 1.059 9.417 331 QB GLN 32 QB GLN 32 -7.551 1.891 6.387 332 QG GLN 32 QG GLN 32 -9.606 0.632 6.792 333 QE2 GLN 32 QE2 GLN 32 -9.178 0.542 9.825 334 OH TYR 33 OH TYR 33 -6.428 5.378 -3.288 335 H TYR 33 HN TYR 33 -7.402 2.378 2.763 336 HA TYR 33 HA TYR 33 -4.442 2.129 3.025 337 1HB TYR 33 2HB TYR 33 -4.193 1.444 0.872 338 2HB TYR 33 3HB TYR 33 -5.885 0.998 0.996 339 HD1 TYR 33 HD2 TYR 33 -3.699 3.880 -0.014 340 HD2 TYR 33 HD1 TYR 33 -7.440 1.913 -0.542 341 HE1 TYR 33 HE2 TYR 33 -4.236 5.385 -1.869 342 HE2 TYR 33 HE1 TYR 33 -7.977 3.434 -2.388 343 HH TYR 33 HH TYR 33 -7.234 5.071 -3.734 344 QB TYR 33 QB TYR 33 -5.039 1.221 0.934 345 QR TYR 33 QR TYR 33 -5.838 3.653 -1.203 346 H GLN 34 HN GLN 34 -3.193 3.797 2.735 347 HA GLN 34 HA GLN 34 -4.292 6.424 1.840 348 1HB GLN 34 2HB GLN 34 -2.516 7.202 3.802 349 2HB GLN 34 3HB GLN 34 -4.248 7.148 4.018 350 1HG GLN 34 2HG GLN 34 -2.410 4.798 4.600 351 2HG GLN 34 3HG GLN 34 -2.904 5.963 5.822 352 1HE2 GLN 34 2HE2 GLN 34 -6.451 4.709 5.014 353 2HE2 GLN 34 1HE2 GLN 34 -5.699 6.146 4.534 354 QB GLN 34 QB GLN 34 -3.382 7.175 3.910 355 QG GLN 34 QG GLN 34 -2.657 5.380 5.211 356 QE2 GLN 34 QE2 GLN 34 -6.075 5.427 4.774 357 OH TYR 35 OH TYR 35 3.466 9.596 -4.102 358 H TYR 35 HN TYR 35 -2.561 7.971 1.319 359 HA TYR 35 HA TYR 35 -0.082 6.596 0.339 360 1HB TYR 35 2HB TYR 35 -1.522 7.204 -1.534 361 2HB TYR 35 3HB TYR 35 -1.733 8.831 -0.902 362 HD1 TYR 35 HD2 TYR 35 1.256 6.631 -1.509 363 HD2 TYR 35 HD1 TYR 35 -0.576 10.405 -2.216 364 HE1 TYR 35 HE2 TYR 35 3.166 7.303 -2.869 365 HE2 TYR 35 HE1 TYR 35 1.363 11.082 -3.558 366 HH TYR 35 HH TYR 35 3.799 10.453 -3.777 367 QB TYR 35 QB TYR 35 -1.628 8.017 -1.218 368 QR TYR 35 QR TYR 35 1.302 8.855 -2.538 369 H VAL 36 HN VAL 36 1.838 7.623 0.732 370 HA VAL 36 HA VAL 36 1.778 10.309 2.071 371 HB VAL 36 HB VAL 36 3.435 7.869 2.874 372 1HG1 VAL 36 2HG1 VAL 36 4.562 10.076 3.289 373 2HG1 VAL 36 3HG1 VAL 36 3.152 10.576 4.216 374 3HG1 VAL 36 1HG1 VAL 36 4.141 9.241 4.779 375 1HG2 VAL 36 1HG2 VAL 36 1.026 7.680 3.478 376 2HG2 VAL 36 2HG2 VAL 36 2.013 7.905 4.916 377 3HG2 VAL 36 3HG2 VAL 36 1.100 9.258 4.251 378 QG1 VAL 36 QG1 VAL 36 3.952 9.964 4.095 379 QG2 VAL 36 QG2 VAL 36 1.380 8.281 4.215 380 QQG VAL 36 QQG VAL 36 2.666 9.123 4.155 381 H ASP 37 HN ASP 37 3.636 11.650 1.575 382 HA ASP 37 HA ASP 37 5.333 10.530 -0.649 383 1HB ASP 37 2HB ASP 37 3.532 12.440 -1.134 384 2HB ASP 37 3HB ASP 37 4.824 13.460 -0.526 385 QB ASP 37 QB ASP 37 4.178 12.950 -0.830 386 H ILE 38 HN ILE 38 7.347 10.332 -0.019 387 HA ILE 38 HA ILE 38 8.531 11.422 2.267 388 HB ILE 38 HB ILE 38 10.736 10.952 1.157 389 1HG1 ILE 38 2HG1 ILE 38 9.016 10.339 -1.283 390 2HG1 ILE 38 3HG1 ILE 38 10.076 11.732 -1.128 391 1HG2 ILE 38 1HG2 ILE 38 9.388 9.148 2.216 392 2HG2 ILE 38 2HG2 ILE 38 8.613 8.828 0.666 393 3HG2 ILE 38 3HG2 ILE 38 10.336 8.541 0.865 394 1HD1 ILE 38 1HD1 ILE 38 12.034 10.232 -0.879 395 2HD1 ILE 38 2HD1 ILE 38 10.978 8.831 -1.039 396 3HD1 ILE 38 3HD1 ILE 38 11.189 9.928 -2.396 397 QG1 ILE 38 QG1 ILE 38 9.546 11.035 -1.206 398 QG2 ILE 38 QG2 ILE 38 9.446 8.839 1.249 399 QD1 ILE 38 QD1 ILE 38 11.400 9.664 -1.438 400 NH1 ARG 39 NH1 ARG 39 11.622 18.513 -0.477 401 NH2 ARG 39 NH2 ARG 39 10.739 17.012 1.000 402 H ARG 39 HN ARG 39 8.063 12.977 -0.853 403 HA ARG 39 HA ARG 39 9.923 15.123 -0.018 404 1HB ARG 39 2HB ARG 39 9.668 14.274 -2.440 405 2HB ARG 39 3HB ARG 39 8.150 15.139 -2.472 406 1HG ARG 39 2HG ARG 39 10.866 16.395 -1.907 407 2HG ARG 39 3HG ARG 39 10.023 16.453 -3.439 408 1HD ARG 39 2HD ARG 39 9.378 18.504 -2.560 409 2HD ARG 39 3HD ARG 39 8.050 17.495 -2.009 410 HE ARG 39 HE ARG 39 8.711 18.392 0.094 411 1HH1 ARG 39 2HH1 ARG 39 11.473 19.172 -1.216 412 2HH1 ARG 39 1HH1 ARG 39 12.543 18.379 -0.105 413 1HH2 ARG 39 2HH2 ARG 39 9.918 16.561 1.373 414 2HH2 ARG 39 1HH2 ARG 39 11.634 16.815 1.399 415 QB ARG 39 QB ARG 39 8.909 14.706 -2.456 416 QG ARG 39 QG ARG 39 10.445 16.424 -2.673 417 QD ARG 39 QD ARG 39 8.714 17.999 -2.284 418 QH1 ARG 39 QH1 ARG 39 12.008 18.775 -0.661 419 QH2 ARG 39 QH2 ARG 39 10.776 16.688 1.386 420 H ALA 40 HN ALA 40 6.553 14.989 -1.156 421 HA ALA 40 HA ALA 40 5.540 17.437 -0.582 422 1HB ALA 40 1HB ALA 40 4.126 15.469 -1.206 423 2HB ALA 40 2HB ALA 40 4.197 14.934 0.474 424 3HB ALA 40 3HB ALA 40 3.415 16.451 0.074 425 QB ALA 40 QB ALA 40 3.913 15.618 -0.219 426 H GLU 41 HN GLU 41 6.191 15.020 1.947 427 HA GLU 41 HA GLU 41 5.569 17.093 3.984 428 1HB GLU 41 2HB GLU 41 6.166 14.125 4.182 429 2HB GLU 41 3HB GLU 41 5.808 15.153 5.572 430 1HG GLU 41 2HG GLU 41 3.631 15.762 4.599 431 2HG GLU 41 3HG GLU 41 4.000 14.850 3.137 432 QB GLU 41 QB GLU 41 5.987 14.639 4.877 433 QG GLU 41 QG GLU 41 3.815 15.306 3.868 434 H GLY 42 HN GLY 42 8.319 14.892 3.260 435 1HA GLY 42 1HA GLY 42 10.554 16.098 3.202 436 2HA GLY 42 2HA GLY 42 10.049 16.906 4.675 437 QA GLY 42 QA GLY 42 10.302 16.502 3.939 438 H ILE 43 HN ILE 43 10.025 13.547 3.573 439 HA ILE 43 HA ILE 43 11.296 12.783 6.167 440 HB ILE 43 HB ILE 43 9.781 11.097 4.126 441 1HG1 ILE 43 2HG1 ILE 43 9.029 12.150 6.881 442 2HG1 ILE 43 3HG1 ILE 43 8.283 12.579 5.350 443 1HG2 ILE 43 3HG2 ILE 43 11.552 9.797 5.310 444 2HG2 ILE 43 1HG2 ILE 43 10.907 10.330 6.861 445 3HG2 ILE 43 2HG2 ILE 43 9.958 9.276 5.819 446 1HD1 ILE 43 1HD1 ILE 43 7.529 10.206 5.080 447 2HD1 ILE 43 2HD1 ILE 43 8.216 9.827 6.657 448 3HD1 ILE 43 3HD1 ILE 43 6.876 10.955 6.531 449 QG1 ILE 43 QG1 ILE 43 8.656 12.364 6.115 450 QG2 ILE 43 QG2 ILE 43 10.806 9.801 5.997 451 QD1 ILE 43 QD1 ILE 43 7.540 10.329 6.089 452 H THR 44 HN THR 44 13.062 11.193 6.013 453 HA THR 44 HA THR 44 14.495 11.410 3.395 454 HB THR 44 HB THR 44 16.595 11.393 4.720 455 HG1 THR 44 1HG THR 44 16.408 10.411 6.552 456 1HG2 THR 44 3HG2 THR 44 15.332 13.620 4.659 457 2HG2 THR 44 1HG2 THR 44 14.557 13.156 6.169 458 3HG2 THR 44 2HG2 THR 44 16.299 13.406 6.116 459 QG2 THR 44 QG2 THR 44 15.396 13.394 5.648 460 H LYS 45 HN LYS 45 15.823 9.503 2.834 461 HA LYS 45 HA LYS 45 14.387 7.082 2.995 462 1HB LYS 45 2HB LYS 45 16.475 5.977 2.243 463 2HB LYS 45 3HB LYS 45 16.133 7.436 1.323 464 1HG LYS 45 2HG LYS 45 17.715 8.675 2.853 465 2HG LYS 45 3HG LYS 45 18.126 7.138 3.589 466 1HD LYS 45 2HD LYS 45 18.719 6.301 1.236 467 2HD LYS 45 3HD LYS 45 18.555 7.973 0.707 468 1HE LYS 45 2HE LYS 45 20.916 7.465 1.259 469 2HE LYS 45 3HE LYS 45 20.258 8.681 2.353 470 1HZ LYS 45 3HZ LYS 45 19.740 6.109 3.378 471 2HZ LYS 45 1HZ LYS 45 21.407 6.258 3.052 472 3HZ LYS 45 2HZ LYS 45 20.613 7.383 4.061 473 QB LYS 45 QB LYS 45 16.304 6.706 1.783 474 QG LYS 45 QG LYS 45 17.920 7.907 3.221 475 QD LYS 45 QD LYS 45 18.637 7.137 0.972 476 QE LYS 45 QE LYS 45 20.587 8.073 1.806 477 QZ LYS 45 QZ LYS 45 20.586 6.584 3.497 478 H GLU 46 HN GLU 46 16.964 8.207 5.161 479 HA GLU 46 HA GLU 46 17.460 5.886 6.670 480 1HB GLU 46 2HB GLU 46 17.088 8.704 7.777 481 2HB GLU 46 3HB GLU 46 17.809 7.378 8.661 482 1HG GLU 46 2HG GLU 46 19.594 8.752 7.758 483 2HG GLU 46 3HG GLU 46 19.583 7.232 6.870 484 QB GLU 46 QB GLU 46 17.448 8.041 8.219 485 QG GLU 46 QG GLU 46 19.588 7.992 7.314 486 H ASP 47 HN ASP 47 15.123 8.365 7.541 487 HA ASP 47 HA ASP 47 13.769 7.165 9.662 488 1HB ASP 47 2HB ASP 47 13.289 9.432 8.993 489 2HB ASP 47 3HB ASP 47 12.759 8.917 7.397 490 QB ASP 47 QB ASP 47 13.024 9.175 8.195 491 H LEU 48 HN LEU 48 13.088 6.780 6.255 492 HA LEU 48 HA LEU 48 10.889 4.903 6.617 493 1HB LEU 48 2HB LEU 48 12.457 6.077 4.370 494 2HB LEU 48 3HB LEU 48 11.761 4.507 4.029 495 HG LEU 48 HG LEU 48 10.170 6.818 5.218 496 1HD1 LEU 48 1HD1 LEU 48 10.434 5.934 2.325 497 2HD1 LEU 48 2HD1 LEU 48 9.294 7.136 2.918 498 3HD1 LEU 48 3HD1 LEU 48 11.023 7.452 2.995 499 1HD2 LEU 48 2HD2 LEU 48 9.343 4.234 3.825 500 2HD2 LEU 48 3HD2 LEU 48 9.209 4.546 5.552 501 3HD2 LEU 48 1HD2 LEU 48 8.240 5.473 4.415 502 QB LEU 48 QB LEU 48 12.109 5.292 4.199 503 QD1 LEU 48 QD1 LEU 48 10.250 6.841 2.746 504 QD2 LEU 48 QD2 LEU 48 8.931 4.751 4.597 505 QQD LEU 48 QQD LEU 48 9.590 5.796 3.672 506 H GLN 49 HN GLN 49 14.331 4.518 5.857 507 HA GLN 49 HA GLN 49 14.262 1.703 5.486 508 1HB GLN 49 2HB GLN 49 16.240 3.354 5.166 509 2HB GLN 49 3HB GLN 49 16.516 3.169 6.895 510 1HG GLN 49 2HG GLN 49 17.119 0.916 6.695 511 2HG GLN 49 3HG GLN 49 16.195 0.700 5.215 512 1HE2 GLN 49 2HE2 GLN 49 20.049 1.745 4.960 513 2HE2 GLN 49 1HE2 GLN 49 19.317 1.329 6.430 514 QB GLN 49 QB GLN 49 16.378 3.262 6.031 515 QG GLN 49 QG GLN 49 16.657 0.808 5.955 516 QE2 GLN 49 QE2 GLN 49 19.683 1.537 5.695 517 H GLN 50 HN GLN 50 14.493 3.737 8.305 518 HA GLN 50 HA GLN 50 14.733 1.847 10.368 519 1HB GLN 50 2HB GLN 50 14.044 4.636 10.019 520 2HB GLN 50 3HB GLN 50 13.059 3.949 11.271 521 1HG GLN 50 2HG GLN 50 14.930 4.613 12.502 522 2HG GLN 50 3HG GLN 50 15.413 2.967 12.099 523 1HE2 GLN 50 2HE2 GLN 50 17.514 4.256 9.334 524 2HE2 GLN 50 1HE2 GLN 50 16.259 3.122 9.501 525 QB GLN 50 QB GLN 50 13.552 4.293 10.645 526 QG GLN 50 QG GLN 50 15.171 3.790 12.300 527 QE2 GLN 50 QE2 GLN 50 16.886 3.689 9.418 528 H LYS 51 HN LYS 51 12.149 2.439 8.275 529 HA LYS 51 HA LYS 51 10.117 1.162 10.038 530 1HB LYS 51 2HB LYS 51 9.975 2.802 7.487 531 2HB LYS 51 3HB LYS 51 8.567 2.055 8.192 532 1HG LYS 51 2HG LYS 51 8.856 3.317 10.260 533 2HG LYS 51 3HG LYS 51 10.406 3.935 9.699 534 1HD LYS 51 2HD LYS 51 9.274 5.139 7.857 535 2HD LYS 51 3HD LYS 51 7.724 4.486 8.371 536 1HE LYS 51 2HE LYS 51 8.103 6.812 9.193 537 2HE LYS 51 3HE LYS 51 7.886 5.662 10.506 538 1HZ LYS 51 3HZ LYS 51 10.628 5.807 9.847 539 2HZ LYS 51 1HZ LYS 51 10.029 7.386 10.026 540 3HZ LYS 51 2HZ LYS 51 9.853 6.276 11.300 541 QB LYS 51 QB LYS 51 9.271 2.428 7.839 542 QG LYS 51 QG LYS 51 9.631 3.626 9.980 543 QD LYS 51 QD LYS 51 8.499 4.813 8.114 544 QE LYS 51 QE LYS 51 7.995 6.237 9.849 545 QZ LYS 51 QZ LYS 51 10.170 6.489 10.391 546 H ALA 52 HN ALA 52 11.655 0.938 6.926 547 HA ALA 52 HA ALA 52 10.270 -1.372 5.929 548 1HB ALA 52 2HB ALA 52 12.969 -0.203 5.192 549 2HB ALA 52 3HB ALA 52 12.083 -1.372 4.227 550 3HB ALA 52 1HB ALA 52 11.429 0.244 4.467 551 QB ALA 52 QB ALA 52 12.160 -0.444 4.629 552 H GLY 53 HN GLY 53 13.346 -0.962 7.612 553 1HA GLY 53 1HA GLY 53 14.255 -2.651 9.107 554 2HA GLY 53 2HA GLY 53 13.330 -3.879 8.236 555 QA GLY 53 QA GLY 53 13.792 -3.265 8.671 556 H LYS 54 HN LYS 54 13.857 -3.195 5.716 557 HA LYS 54 HA LYS 54 16.727 -3.945 5.394 558 1HB LYS 54 2HB LYS 54 16.028 -4.876 3.230 559 2HB LYS 54 3HB LYS 54 14.932 -5.458 4.458 560 1HG LYS 54 2HG LYS 54 13.165 -4.067 3.756 561 2HG LYS 54 3HG LYS 54 14.241 -2.961 2.909 562 1HD LYS 54 2HD LYS 54 14.800 -4.793 1.293 563 2HD LYS 54 3HD LYS 54 13.661 -5.839 2.121 564 1HE LYS 54 2HE LYS 54 12.664 -4.873 0.091 565 2HE LYS 54 3HE LYS 54 11.808 -4.325 1.524 566 1HZ LYS 54 1HZ LYS 54 13.776 -2.413 1.093 567 2HZ LYS 54 2HZ LYS 54 13.218 -2.841 -0.454 568 3HZ LYS 54 3HZ LYS 54 12.106 -2.266 0.716 569 QB LYS 54 QB LYS 54 15.480 -5.167 3.844 570 QG LYS 54 QG LYS 54 13.703 -3.514 3.333 571 QD LYS 54 QD LYS 54 14.231 -5.316 1.707 572 QE LYS 54 QE LYS 54 12.236 -4.599 0.808 573 QZ LYS 54 QZ LYS 54 13.034 -2.507 0.452 574 HA PRO 55 HA PRO 55 17.667 -0.139 3.191 575 1HB PRO 55 2HB PRO 55 17.712 -1.629 0.585 576 2HB PRO 55 3HB PRO 55 18.898 -0.489 1.243 577 1HG PRO 55 2HG PRO 55 19.375 -3.151 1.322 578 2HG PRO 55 3HG PRO 55 19.861 -2.113 2.669 579 1HD PRO 55 2HD PRO 55 17.538 -4.005 2.481 580 2HD PRO 55 3HD PRO 55 18.509 -3.576 3.905 581 QB PRO 55 QB PRO 55 18.305 -1.059 0.914 582 QG PRO 55 QG PRO 55 19.618 -2.632 1.996 583 QD PRO 55 QD PRO 55 18.024 -3.791 3.193 584 H VAL 56 HN VAL 56 16.561 1.478 1.934 585 HA VAL 56 HA VAL 56 13.721 1.063 1.770 586 HB VAL 56 HB VAL 56 13.786 3.376 0.655 587 1HG1 VAL 56 1HG1 VAL 56 13.326 2.987 3.066 588 2HG1 VAL 56 2HG1 VAL 56 15.056 2.962 3.388 589 3HG1 VAL 56 3HG1 VAL 56 14.284 4.451 2.844 590 1HG2 VAL 56 3HG2 VAL 56 16.137 3.194 -0.145 591 2HG2 VAL 56 1HG2 VAL 56 15.890 4.592 0.891 592 3HG2 VAL 56 2HG2 VAL 56 16.686 3.164 1.529 593 QG1 VAL 56 QG1 VAL 56 14.222 3.467 3.099 594 QG2 VAL 56 QG2 VAL 56 16.237 3.650 0.759 595 QQG VAL 56 QQG VAL 56 15.230 3.558 1.929 596 H GLU 57 HN GLU 57 16.281 0.998 -0.600 597 HA GLU 57 HA GLU 57 16.281 0.278 -2.828 598 1HB GLU 57 2HB GLU 57 14.396 -1.281 -1.415 599 2HB GLU 57 3HB GLU 57 13.566 -0.839 -2.886 600 1HG GLU 57 2HG GLU 57 15.202 -1.891 -4.263 601 2HG GLU 57 3HG GLU 57 16.391 -1.935 -2.970 602 QB GLU 57 QB GLU 57 13.981 -1.060 -2.150 603 QG GLU 57 QG GLU 57 15.797 -1.913 -3.616 604 H THR 58 HN THR 58 13.693 0.150 -4.421 605 HA THR 58 HA THR 58 13.588 3.051 -4.992 606 HB THR 58 HB THR 58 12.325 2.180 -7.069 607 HG1 THR 58 1HG THR 58 11.675 0.172 -6.818 608 1HG2 THR 58 2HG2 THR 58 14.980 0.775 -6.487 609 2HG2 THR 58 3HG2 THR 58 14.295 1.071 -8.081 610 3HG2 THR 58 1HG2 THR 58 14.859 2.422 -7.102 611 QG2 THR 58 QG2 THR 58 14.712 1.422 -7.223 612 H VAL 59 HN VAL 59 11.407 3.911 -5.597 613 HA VAL 59 HA VAL 59 9.475 3.081 -3.513 614 HB VAL 59 HB VAL 59 8.357 5.295 -4.724 615 1HG1 VAL 59 1HG1 VAL 59 10.452 5.245 -2.517 616 2HG1 VAL 59 2HG1 VAL 59 9.311 6.556 -2.802 617 3HG1 VAL 59 3HG1 VAL 59 8.727 4.974 -2.300 618 1HG2 VAL 59 3HG2 VAL 59 10.354 5.544 -6.222 619 2HG2 VAL 59 1HG2 VAL 59 10.153 6.916 -5.145 620 3HG2 VAL 59 2HG2 VAL 59 11.373 5.700 -4.798 621 QG1 VAL 59 QG1 VAL 59 9.497 5.592 -2.539 622 QG2 VAL 59 QG2 VAL 59 10.626 6.053 -5.388 623 QQG VAL 59 QQG VAL 59 10.062 5.822 -3.964 624 HA PRO 60 HA PRO 60 7.293 3.915 -3.498 625 1HB PRO 60 2HB PRO 60 4.846 2.762 -3.234 626 2HB PRO 60 3HB PRO 60 5.164 3.981 -4.468 627 1HG PRO 60 2HG PRO 60 4.768 1.039 -4.794 628 2HG PRO 60 3HG PRO 60 4.558 2.321 -5.987 629 1HD PRO 60 2HD PRO 60 6.861 0.583 -5.630 630 2HD PRO 60 3HD PRO 60 6.632 1.825 -6.862 631 QB PRO 60 QB PRO 60 5.005 3.372 -3.851 632 QG PRO 60 QG PRO 60 4.663 1.680 -5.390 633 QD PRO 60 QD PRO 60 6.746 1.204 -6.246 634 H GLN 61 HN GLN 61 6.895 3.218 -1.235 635 HA GLN 61 HA GLN 61 7.710 0.368 -0.798 636 1HB GLN 61 2HB GLN 61 9.117 2.423 0.204 637 2HB GLN 61 3HB GLN 61 7.846 2.402 1.416 638 1HG GLN 61 2HG GLN 61 9.646 0.973 2.223 639 2HG GLN 61 3HG GLN 61 8.309 -0.076 1.761 640 1HE2 GLN 61 1HE2 GLN 61 10.734 -0.118 -1.422 641 2HE2 GLN 61 2HE2 GLN 61 9.637 1.124 -1.077 642 QB GLN 61 QB GLN 61 8.482 2.412 0.810 643 QG GLN 61 QG GLN 61 8.977 0.448 1.992 644 QE2 GLN 61 QE2 GLN 61 10.186 0.503 -1.250 645 H ILE 62 HN ILE 62 6.234 -0.893 0.236 646 HA ILE 62 HA ILE 62 3.757 0.506 1.147 647 HB ILE 62 HB ILE 62 4.027 -2.362 0.203 648 1HG1 ILE 62 2HG1 ILE 62 3.306 0.208 -1.224 649 2HG1 ILE 62 3HG1 ILE 62 4.453 -1.036 -1.712 650 1HG2 ILE 62 2HG2 ILE 62 2.157 -1.914 1.776 651 2HG2 ILE 62 3HG2 ILE 62 1.596 -0.607 0.738 652 3HG2 ILE 62 1HG2 ILE 62 1.550 -2.276 0.170 653 1HD1 ILE 62 1HD1 ILE 62 2.507 -2.622 -1.901 654 2HD1 ILE 62 2HD1 ILE 62 1.425 -1.263 -1.651 655 3HD1 ILE 62 3HD1 ILE 62 2.471 -1.307 -3.065 656 QG1 ILE 62 QG1 ILE 62 3.879 -0.414 -1.468 657 QG2 ILE 62 QG2 ILE 62 1.768 -1.599 0.895 658 QD1 ILE 62 QD1 ILE 62 2.134 -1.731 -2.206 659 H PHE 63 HN PHE 63 2.977 0.159 3.026 660 HA PHE 63 HA PHE 63 4.244 -1.869 4.831 661 1HB PHE 63 2HB PHE 63 3.621 1.065 5.326 662 2HB PHE 63 3HB PHE 63 3.836 -0.073 6.655 663 HD1 PHE 63 1HD PHE 63 6.026 -1.131 7.046 664 HD2 PHE 63 2HD PHE 63 5.538 1.662 3.871 665 HE1 PHE 63 1HE PHE 63 8.448 -1.003 6.771 666 HE2 PHE 63 2HE PHE 63 7.971 1.799 3.617 667 HZ PHE 63 HZ PHE 63 9.429 0.473 5.069 668 QB PHE 63 QB PHE 63 3.729 0.496 5.991 669 QR PHE 63 QR PHE 63 6.996 0.332 5.326 670 H VAL 64 HN VAL 64 2.809 -2.981 6.055 671 HA VAL 64 HA VAL 64 -0.088 -2.272 5.798 672 HB VAL 64 HB VAL 64 1.138 -5.054 5.965 673 1HG1 VAL 64 3HG1 VAL 64 -1.711 -4.135 5.404 674 2HG1 VAL 64 1HG1 VAL 64 -1.152 -5.804 5.338 675 3HG1 VAL 64 2HG1 VAL 64 -1.156 -4.946 6.869 676 1HG2 VAL 64 1HG2 VAL 64 -0.018 -3.545 3.586 677 2HG2 VAL 64 2HG2 VAL 64 1.676 -3.968 3.818 678 3HG2 VAL 64 3HG2 VAL 64 0.479 -5.234 3.566 679 QG1 VAL 64 QG1 VAL 64 -1.340 -4.962 5.870 680 QG2 VAL 64 QG2 VAL 64 0.712 -4.249 3.657 681 QQG VAL 64 QQG VAL 64 -0.314 -4.605 4.764 682 H ASP 65 HN ASP 65 -0.621 -1.489 7.755 683 HA ASP 65 HA ASP 65 -0.967 -1.383 10.051 684 1HB ASP 65 2HB ASP 65 -1.219 -4.103 9.353 685 2HB ASP 65 3HB ASP 65 -0.128 -4.127 10.716 686 QB ASP 65 QB ASP 65 -0.673 -4.115 10.035 687 H GLN 66 HN GLN 66 1.461 -3.804 10.161 688 HA GLN 66 HA GLN 66 3.513 -1.873 11.074 689 1HB GLN 66 2HB GLN 66 2.623 -4.382 12.540 690 2HB GLN 66 3HB GLN 66 4.151 -3.598 12.877 691 1HG GLN 66 2HG GLN 66 1.560 -2.035 12.972 692 2HG GLN 66 3HG GLN 66 2.086 -2.985 14.351 693 1HE2 GLN 66 2HE2 GLN 66 5.108 -0.449 13.669 694 2HE2 GLN 66 1HE2 GLN 66 4.822 -1.794 12.679 695 QB GLN 66 QB GLN 66 3.387 -3.990 12.708 696 QG GLN 66 QG GLN 66 1.823 -2.510 13.661 697 QE2 GLN 66 QE2 GLN 66 4.965 -1.121 13.174 698 H GLN 67 HN GLN 67 2.666 -4.466 9.155 699 HA GLN 67 HA GLN 67 5.264 -5.794 9.046 700 1HB GLN 67 2HB GLN 67 3.148 -7.060 8.941 701 2HB GLN 67 3HB GLN 67 2.597 -6.078 7.590 702 1HG GLN 67 2HG GLN 67 4.550 -6.938 6.268 703 2HG GLN 67 3HG GLN 67 4.886 -8.048 7.598 704 1HE2 GLN 67 2HE2 GLN 67 2.118 -10.169 6.827 705 2HE2 GLN 67 1HE2 GLN 67 3.330 -9.813 7.958 706 QB GLN 67 QB GLN 67 2.873 -6.569 8.266 707 QG GLN 67 QG GLN 67 4.718 -7.493 6.933 708 QE2 GLN 67 QE2 GLN 67 2.724 -9.991 7.392 709 H HIS 68 HN HIS 68 6.616 -5.683 7.219 710 HA HIS 68 HA HIS 68 6.098 -3.348 5.420 711 1HB HIS 68 2HB HIS 68 8.197 -3.240 6.721 712 2HB HIS 68 3HB HIS 68 8.672 -4.799 6.101 713 HD1 HIS 68 HD1 HIS 68 10.703 -3.817 4.988 714 HD2 HIS 68 HD2 HIS 68 7.256 -2.049 3.601 715 HE1 HIS 68 HE1 HIS 68 11.280 -2.732 2.782 716 QB HIS 68 QB HIS 68 8.434 -4.019 6.411 717 H ILE 69 HN ILE 69 5.894 -3.775 3.206 718 HA ILE 69 HA ILE 69 6.027 -6.690 2.489 719 HB ILE 69 HB ILE 69 4.773 -4.514 0.795 720 1HG1 ILE 69 2HG1 ILE 69 3.700 -4.237 2.955 721 2HG1 ILE 69 3HG1 ILE 69 2.590 -5.093 1.898 722 1HG2 ILE 69 1HG2 ILE 69 4.223 -7.492 1.100 723 2HG2 ILE 69 2HG2 ILE 69 3.380 -6.411 0.002 724 3HG2 ILE 69 3HG2 ILE 69 5.090 -6.740 -0.230 725 1HD1 ILE 69 2HD1 ILE 69 4.366 -6.420 3.977 726 2HD1 ILE 69 3HD1 ILE 69 2.642 -6.127 4.143 727 3HD1 ILE 69 1HD1 ILE 69 3.230 -7.239 2.923 728 QG1 ILE 69 QG1 ILE 69 3.145 -4.665 2.426 729 QG2 ILE 69 QG2 ILE 69 4.231 -6.881 0.291 730 QD1 ILE 69 QD1 ILE 69 3.413 -6.595 3.681 731 H GLY 70 HN GLY 70 6.974 -3.503 1.461 732 1HA GLY 70 1HA GLY 70 9.375 -3.416 0.563 733 2HA GLY 70 2HA GLY 70 8.881 -4.710 -0.526 734 QA GLY 70 QA GLY 70 9.128 -4.063 0.018 735 H GLY 71 HN GLY 71 8.118 -4.009 -2.536 736 1HA GLY 71 1HA GLY 71 6.926 -1.268 -2.564 737 2HA GLY 71 2HA GLY 71 8.110 -1.737 -3.772 738 QA GLY 71 QA GLY 71 7.518 -1.502 -3.168 739 OH TYR 72 OH TYR 72 0.015 -3.027 -10.175 740 H TYR 72 HN TYR 72 6.240 -1.061 -5.128 741 HA TYR 72 HA TYR 72 3.866 -2.665 -5.315 742 1HB TYR 72 2HB TYR 72 4.176 -0.427 -6.475 743 2HB TYR 72 3HB TYR 72 5.291 -1.206 -7.590 744 HD1 TYR 72 HD2 TYR 72 1.912 -2.055 -6.165 745 HD2 TYR 72 HD1 TYR 72 4.306 -1.665 -9.654 746 HE1 TYR 72 HE2 TYR 72 0.016 -2.798 -7.545 747 HE2 TYR 72 HE1 TYR 72 2.431 -2.420 -11.036 748 HH TYR 72 HH TYR 72 0.229 -3.876 -10.581 749 QB TYR 72 QB TYR 72 4.734 -0.817 -7.032 750 QR TYR 72 QR TYR 72 2.166 -2.234 -8.600 751 H THR 73 HN THR 73 3.642 -4.024 -7.541 752 HA THR 73 HA THR 73 4.391 -5.891 -8.773 753 HB THR 73 HB THR 73 7.206 -5.765 -7.715 754 HG1 THR 73 1HG THR 73 7.116 -3.662 -8.092 755 1HG2 THR 73 1HG2 THR 73 6.043 -5.868 -10.528 756 2HG2 THR 73 2HG2 THR 73 7.737 -6.100 -10.105 757 3HG2 THR 73 3HG2 THR 73 6.535 -7.289 -9.609 758 QG2 THR 73 QG2 THR 73 6.772 -6.419 -10.080 759 H ASP 74 HN ASP 74 6.352 -5.820 -5.763 760 HA ASP 74 HA ASP 74 5.841 -8.622 -5.209 761 1HB ASP 74 2HB ASP 74 6.341 -6.813 -2.890 762 2HB ASP 74 3HB ASP 74 7.128 -8.326 -3.312 763 QB ASP 74 QB ASP 74 6.735 -7.569 -3.101 764 H PHE 75 HN PHE 75 4.533 -5.581 -4.075 765 HA PHE 75 HA PHE 75 2.681 -6.248 -2.204 766 1HB PHE 75 2HB PHE 75 2.963 -3.982 -3.133 767 2HB PHE 75 3HB PHE 75 2.224 -4.483 -4.638 768 HD1 PHE 75 2HD PHE 75 1.095 -5.233 -1.129 769 HD2 PHE 75 1HD PHE 75 0.248 -3.210 -4.784 770 HE1 PHE 75 2HE PHE 75 -1.137 -4.651 -0.297 771 HE2 PHE 75 1HE PHE 75 -1.953 -2.564 -3.908 772 HZ PHE 75 HZ PHE 75 -2.659 -3.308 -1.687 773 QB PHE 75 QB PHE 75 2.594 -4.233 -3.885 774 QR PHE 75 QR PHE 75 -0.436 -3.915 -2.529 775 H ALA 76 HN ALA 76 2.125 -6.648 -5.728 776 HA ALA 76 HA ALA 76 -0.510 -7.723 -5.537 777 1HB ALA 76 2HB ALA 76 0.547 -7.078 -7.694 778 2HB ALA 76 3HB ALA 76 1.664 -8.428 -7.540 779 3HB ALA 76 1HB ALA 76 -0.057 -8.732 -7.751 780 QB ALA 76 QB ALA 76 0.718 -8.079 -7.662 781 H ALA 77 HN ALA 77 2.649 -9.343 -5.582 782 HA ALA 77 HA ALA 77 1.630 -12.006 -5.275 783 1HB ALA 77 3HB ALA 77 4.256 -10.844 -4.244 784 2HB ALA 77 1HB ALA 77 3.901 -12.560 -4.418 785 3HB ALA 77 2HB ALA 77 4.001 -11.533 -5.843 786 QB ALA 77 QB ALA 77 4.053 -11.646 -4.835 787 CH2 TRP 78 CH2 TRP 78 -1.471 -6.988 2.739 788 H TRP 78 HN TRP 78 2.834 -9.740 -2.793 789 HA TRP 78 HA TRP 78 2.261 -11.294 -0.487 790 1HB TRP 78 2HB TRP 78 3.384 -9.160 -0.277 791 2HB TRP 78 3HB TRP 78 2.015 -8.314 -0.918 792 HD1 TRP 78 HD1 TRP 78 3.110 -10.098 2.374 793 HE1 TRP 78 HE1 TRP 78 1.642 -9.297 4.247 794 HE3 TRP 78 HE3 TRP 78 -0.087 -7.409 -0.334 795 HZ2 TRP 78 HZ2 TRP 78 -0.704 -7.771 4.575 796 HZ3 TRP 78 HZ3 TRP 78 -2.016 -6.324 0.787 797 HH2 TRP 78 HH2 TRP 78 -2.315 -6.504 3.213 798 QB TRP 78 QB TRP 78 2.700 -8.737 -0.597 799 H VAL 79 HN VAL 79 0.136 -8.954 -2.080 800 HA VAL 79 HA VAL 79 -2.153 -9.171 -0.525 801 HB VAL 79 HB VAL 79 -1.844 -8.917 -3.542 802 1HG1 VAL 79 1HG1 VAL 79 -4.397 -8.656 -1.911 803 2HG1 VAL 79 2HG1 VAL 79 -4.236 -8.244 -3.613 804 3HG1 VAL 79 3HG1 VAL 79 -4.073 -9.914 -3.096 805 1HG2 VAL 79 1HG2 VAL 79 -2.606 -6.972 -1.330 806 2HG2 VAL 79 2HG2 VAL 79 -1.072 -7.007 -2.185 807 3HG2 VAL 79 3HG2 VAL 79 -2.543 -6.566 -3.038 808 QG1 VAL 79 QG1 VAL 79 -4.235 -8.938 -2.873 809 QG2 VAL 79 QG2 VAL 79 -2.074 -6.848 -2.184 810 QQG VAL 79 QQG VAL 79 -3.154 -7.893 -2.529 811 H LYS 80 HN LYS 80 -1.387 -11.209 -3.332 812 HA LYS 80 HA LYS 80 -3.506 -12.970 -3.266 813 1HB LYS 80 2HB LYS 80 -1.599 -12.982 -4.924 814 2HB LYS 80 3HB LYS 80 -0.666 -13.905 -3.752 815 1HG LYS 80 2HG LYS 80 -3.428 -14.892 -4.392 816 2HG LYS 80 3HG LYS 80 -2.211 -15.080 -5.639 817 1HD LYS 80 2HD LYS 80 -0.900 -16.539 -4.357 818 2HD LYS 80 3HD LYS 80 -1.557 -15.996 -2.833 819 1HE LYS 80 2HE LYS 80 -3.095 -17.600 -4.924 820 2HE LYS 80 3HE LYS 80 -2.359 -18.282 -3.485 821 1HZ LYS 80 3HZ LYS 80 -4.001 -16.166 -2.658 822 2HZ LYS 80 1HZ LYS 80 -4.909 -17.136 -3.736 823 3HZ LYS 80 2HZ LYS 80 -4.199 -17.805 -2.344 824 QB LYS 80 QB LYS 80 -1.132 -13.443 -4.338 825 QG LYS 80 QG LYS 80 -2.819 -14.986 -5.016 826 QD LYS 80 QD LYS 80 -1.229 -16.267 -3.595 827 QE LYS 80 QE LYS 80 -2.727 -17.941 -4.204 828 QZ LYS 80 QZ LYS 80 -4.369 -17.036 -2.913 829 H GLU 81 HN GLU 81 -1.014 -12.971 -0.746 830 HA GLU 81 HA GLU 81 -2.375 -15.469 0.231 831 1HB GLU 81 2HB GLU 81 -0.146 -15.886 1.490 832 2HB GLU 81 3HB GLU 81 -0.173 -16.183 -0.238 833 1HG GLU 81 2HG GLU 81 1.281 -14.480 -0.693 834 2HG GLU 81 3HG GLU 81 0.594 -13.427 0.532 835 QB GLU 81 QB GLU 81 -0.159 -16.034 0.626 836 QG GLU 81 QG GLU 81 0.937 -13.953 -0.080 837 H ASN 82 HN ASN 82 -2.320 -12.344 0.832 838 HA ASN 82 HA ASN 82 -2.562 -12.735 3.800 839 1HB ASN 82 2HB ASN 82 -1.618 -10.301 2.242 840 2HB ASN 82 3HB ASN 82 -1.998 -10.270 3.964 841 1HD2 ASN 82 2HD2 ASN 82 1.229 -12.486 2.690 842 2HD2 ASN 82 1HD2 ASN 82 0.006 -12.053 1.594 843 QB ASN 82 QB ASN 82 -1.808 -10.286 3.103 844 QD2 ASN 82 QD2 ASN 82 0.618 -12.269 2.142 845 H LEU 83 HN LEU 83 -3.949 -11.542 0.875 846 HA LEU 83 HA LEU 83 -6.458 -10.924 2.359 847 1HB LEU 83 2HB LEU 83 -5.268 -9.340 0.076 848 2HB LEU 83 3HB LEU 83 -6.811 -8.996 0.855 849 HG LEU 83 HG LEU 83 -4.125 -9.026 2.297 850 1HD1 LEU 83 1HD1 LEU 83 -5.840 -6.706 1.371 851 2HD1 LEU 83 2HD1 LEU 83 -4.405 -6.572 2.386 852 3HD1 LEU 83 3HD1 LEU 83 -4.257 -7.151 0.732 853 1HD2 LEU 83 3HD2 LEU 83 -6.098 -9.532 3.748 854 2HD2 LEU 83 1HD2 LEU 83 -5.398 -7.974 4.137 855 3HD2 LEU 83 2HD2 LEU 83 -6.875 -8.056 3.192 856 QB LEU 83 QB LEU 83 -6.039 -9.168 0.465 857 QD1 LEU 83 QD1 LEU 83 -4.834 -6.810 1.496 858 QD2 LEU 83 QD2 LEU 83 -6.124 -8.521 3.693 859 QQD LEU 83 QQD LEU 83 -5.479 -7.665 2.594 860 H ASP 84 HN ASP 84 -5.512 -13.264 0.781 861 HA ASP 84 HA ASP 84 -7.340 -13.165 -1.538 862 1HB ASP 84 2HB ASP 84 -6.391 -15.408 -2.089 863 2HB ASP 84 3HB ASP 84 -5.165 -14.174 -1.954 864 QB ASP 84 QB ASP 84 -5.778 -14.791 -2.021 865 H ALA 85 HN ALA 85 -8.253 -13.025 1.133 866 HA ALA 85 HA ALA 85 -10.187 -15.275 1.165 867 1HB ALA 85 1HB ALA 85 -8.446 -15.736 2.892 868 2HB ALA 85 2HB ALA 85 -8.750 -14.149 3.599 869 3HB ALA 85 3HB ALA 85 -10.005 -15.382 3.632 870 QB ALA 85 QB ALA 85 -9.067 -15.089 3.374 Start of MODEL 8 Raw file had 870 H/Q atoms Start of MODEL 8 1 H MET 1 HN MET 1 -6.528 -2.846 7.919 2 HA MET 1 HA MET 1 -3.802 -3.606 7.992 3 1HB MET 1 2HB MET 1 -5.555 -5.150 6.058 4 2HB MET 1 3HB MET 1 -3.812 -5.001 5.885 5 1HG MET 1 2HG MET 1 -3.472 -6.052 8.067 6 2HG MET 1 3HG MET 1 -5.193 -6.108 8.344 7 1HE MET 1 3HE MET 1 -2.132 -7.435 6.743 8 2HE MET 1 1HE MET 1 -2.596 -8.896 5.877 9 3HE MET 1 2HE MET 1 -2.928 -7.319 5.167 10 QB MET 1 QB MET 1 -4.684 -5.076 5.972 11 QG MET 1 QG MET 1 -4.333 -6.080 8.206 12 QE MET 1 QE MET 1 -2.552 -7.883 5.929 13 H GLN 2 HN GLN 2 -3.901 -1.216 7.667 14 HA GLN 2 HA GLN 2 -5.041 -0.287 5.166 15 1HB GLN 2 2HB GLN 2 -5.215 1.202 7.060 16 2HB GLN 2 3HB GLN 2 -3.496 1.047 7.413 17 1HG GLN 2 2HG GLN 2 -2.903 2.196 5.363 18 2HG GLN 2 3HG GLN 2 -4.584 2.221 4.852 19 1HE2 GLN 2 2HE2 GLN 2 -5.218 4.626 7.708 20 2HE2 GLN 2 1HE2 GLN 2 -5.706 3.017 7.477 21 QB GLN 2 QB GLN 2 -4.356 1.125 7.236 22 QG GLN 2 QG GLN 2 -3.744 2.208 5.108 23 QE2 GLN 2 QE2 GLN 2 -5.462 3.822 7.593 24 H THR 3 HN THR 3 -3.857 0.408 3.371 25 HA THR 3 HA THR 3 -1.072 -0.640 3.269 26 HB THR 3 HB THR 3 -2.760 0.461 0.970 27 HG1 THR 3 1HG THR 3 -3.455 -1.443 2.412 28 1HG2 THR 3 1HG2 THR 3 -0.253 0.101 0.577 29 2HG2 THR 3 2HG2 THR 3 -0.479 -1.572 1.067 30 3HG2 THR 3 3HG2 THR 3 -1.265 -0.971 -0.386 31 QG2 THR 3 QG2 THR 3 -0.666 -0.814 0.419 32 H VAL 4 HN VAL 4 0.636 0.735 3.092 33 HA VAL 4 HA VAL 4 0.010 3.651 2.845 34 HB VAL 4 HB VAL 4 2.226 2.535 4.592 35 1HG1 VAL 4 1HG1 VAL 4 0.801 5.216 4.483 36 2HG1 VAL 4 2HG1 VAL 4 2.112 4.801 5.584 37 3HG1 VAL 4 3HG1 VAL 4 2.409 4.881 3.851 38 1HG2 VAL 4 1HG2 VAL 4 -0.572 3.341 5.485 39 2HG2 VAL 4 2HG2 VAL 4 0.071 1.700 5.508 40 3HG2 VAL 4 3HG2 VAL 4 0.766 2.934 6.555 41 QG1 VAL 4 QG1 VAL 4 1.774 4.966 4.639 42 QG2 VAL 4 QG2 VAL 4 0.089 2.658 5.849 43 QQG VAL 4 QQG VAL 4 0.931 3.812 5.244 44 H ILE 5 HN ILE 5 0.984 4.423 1.125 45 HA ILE 5 HA ILE 5 3.416 3.018 0.073 46 HB ILE 5 HB ILE 5 1.486 4.933 -1.325 47 1HG1 ILE 5 2HG1 ILE 5 0.874 3.023 -2.731 48 2HG1 ILE 5 3HG1 ILE 5 1.959 1.975 -1.837 49 1HG2 ILE 5 2HG2 ILE 5 3.894 3.414 -2.403 50 2HG2 ILE 5 3HG2 ILE 5 2.774 4.366 -3.374 51 3HG2 ILE 5 1HG2 ILE 5 3.792 5.160 -2.182 52 1HD1 ILE 5 1HD1 ILE 5 -0.440 3.394 -0.616 53 2HD1 ILE 5 2HD1 ILE 5 -0.450 1.727 -1.178 54 3HD1 ILE 5 3HD1 ILE 5 0.575 2.184 0.164 55 QG1 ILE 5 QG1 ILE 5 1.416 2.499 -2.284 56 QG2 ILE 5 QG2 ILE 5 3.486 4.313 -2.653 57 QD1 ILE 5 QD1 ILE 5 -0.105 2.435 -0.544 58 H PHE 6 HN PHE 6 5.291 4.074 0.371 59 HA PHE 6 HA PHE 6 5.197 7.000 1.026 60 1HB PHE 6 2HB PHE 6 6.693 4.700 2.260 61 2HB PHE 6 3HB PHE 6 7.536 6.234 2.139 62 HD1 PHE 6 2HD PHE 6 3.890 6.350 2.614 63 HD2 PHE 6 1HD PHE 6 7.644 6.302 4.622 64 HE1 PHE 6 2HE PHE 6 2.805 7.125 4.666 65 HE2 PHE 6 1HE PHE 6 6.545 7.068 6.676 66 HZ PHE 6 HZ PHE 6 4.129 7.491 6.702 67 QB PHE 6 QB PHE 6 7.114 5.467 2.199 68 QR PHE 6 QR PHE 6 5.221 6.712 4.645 69 H GLY 7 HN GLY 7 5.991 8.084 -0.642 70 1HA GLY 7 1HA GLY 7 8.433 8.416 -1.605 71 2HA GLY 7 2HA GLY 7 8.137 6.832 -2.293 72 QA GLY 7 QA GLY 7 8.285 7.624 -1.949 73 NH1 ARG 8 NH2 ARG 8 7.649 15.164 -4.889 74 NH2 ARG 8 NH1 ARG 8 9.004 15.782 -6.630 75 H ARG 8 HN ARG 8 8.686 9.068 -3.836 76 HA ARG 8 HA ARG 8 6.045 9.639 -5.113 77 1HB ARG 8 2HB ARG 8 7.201 11.684 -6.057 78 2HB ARG 8 3HB ARG 8 7.018 11.706 -4.314 79 1HG ARG 8 2HG ARG 8 9.369 10.865 -4.082 80 2HG ARG 8 3HG ARG 8 9.553 10.949 -5.828 81 1HD ARG 8 2HD ARG 8 9.050 13.264 -3.913 82 2HD ARG 8 3HD ARG 8 10.508 12.963 -4.856 83 HE ARG 8 HE ARG 8 8.730 13.195 -6.860 84 1HH1 ARG 8 2HH2 ARG 8 7.287 14.420 -4.306 85 2HH1 ARG 8 1HH2 ARG 8 7.346 16.100 -4.722 86 1HH2 ARG 8 2HH1 ARG 8 9.656 15.508 -7.338 87 2HH2 ARG 8 1HH1 ARG 8 8.748 16.743 -6.540 88 QB ARG 8 QB ARG 8 7.110 11.695 -5.185 89 QG ARG 8 QG ARG 8 9.461 10.907 -4.955 90 QD ARG 8 QD ARG 8 9.779 13.113 -4.385 91 QH1 ARG 8 QH2 ARG 8 7.316 15.260 -4.514 92 QH2 ARG 8 QH1 ARG 8 9.202 16.125 -6.939 93 H SER 9 HN SER 9 5.830 9.088 -7.260 94 HA SER 9 HA SER 9 8.164 7.646 -8.453 95 1HB SER 9 2HB SER 9 6.361 6.807 -10.106 96 2HB SER 9 3HB SER 9 6.184 6.241 -8.440 97 HG SER 9 HG SER 9 4.445 7.695 -9.855 98 QB SER 9 QB SER 9 6.272 6.524 -9.273 99 H GLY 10 HN GLY 10 5.461 9.506 -9.681 100 1HA GLY 10 1HA GLY 10 6.011 11.743 -10.806 101 2HA GLY 10 2HA GLY 10 7.317 10.863 -11.619 102 QA GLY 10 QA GLY 10 6.664 11.303 -11.212 103 H CYS 11 HN CYS 11 6.212 8.518 -12.153 104 HA CYS 11 HA CYS 11 4.177 9.160 -14.211 105 1HB CYS 11 2HB CYS 11 5.682 6.576 -13.661 106 2HB CYS 11 3HB CYS 11 4.720 6.913 -15.072 107 HG CYS 11 HG CYS 11 6.608 8.155 -16.111 108 QB CYS 11 QB CYS 11 5.201 6.744 -14.366 109 HA PRO 12 HA PRO 12 0.924 6.894 -11.984 110 1HB PRO 12 2HB PRO 12 0.096 5.230 -14.113 111 2HB PRO 12 3HB PRO 12 -0.564 6.817 -13.713 112 1HG PRO 12 2HG PRO 12 1.422 6.065 -15.830 113 2HG PRO 12 3HG PRO 12 0.225 7.367 -15.835 114 1HD PRO 12 2HD PRO 12 2.907 7.808 -15.426 115 2HD PRO 12 3HD PRO 12 1.652 8.849 -14.725 116 QB PRO 12 QB PRO 12 -0.234 6.024 -13.913 117 QG PRO 12 QG PRO 12 0.823 6.716 -15.832 118 QD PRO 12 QD PRO 12 2.279 8.329 -15.075 119 OH TYR 13 OH TYR 13 7.370 3.384 -16.061 120 H TYR 13 HN TYR 13 3.039 5.980 -11.010 121 HA TYR 13 HA TYR 13 3.182 3.033 -11.514 122 1HB TYR 13 2HB TYR 13 5.254 5.010 -10.512 123 2HB TYR 13 3HB TYR 13 5.436 3.282 -10.264 124 HD1 TYR 13 HD1 TYR 13 3.793 3.364 -13.324 125 HD2 TYR 13 HD2 TYR 13 7.582 4.378 -11.653 126 HE1 TYR 13 HE1 TYR 13 4.826 3.105 -15.508 127 HE2 TYR 13 HE2 TYR 13 8.607 4.102 -13.861 128 HH TYR 13 HH TYR 13 7.828 2.539 -16.041 129 QB TYR 13 QB TYR 13 5.345 4.146 -10.388 130 QR TYR 13 QR TYR 13 6.202 3.737 -13.587 131 H CYS 14 HN CYS 14 3.844 5.298 -8.799 132 HA CYS 14 HA CYS 14 3.311 3.437 -6.718 133 1HB CYS 14 2HB CYS 14 2.494 6.345 -6.560 134 2HB CYS 14 3HB CYS 14 3.020 5.313 -5.261 135 HG CYS 14 HG CYS 14 4.872 6.814 -7.201 136 QB CYS 14 QB CYS 14 2.757 5.829 -5.911 137 H VAL 15 HN VAL 15 1.289 5.402 -8.653 138 HA VAL 15 HA VAL 15 -1.191 5.381 -7.482 139 HB VAL 15 HB VAL 15 -0.670 4.807 -10.426 140 1HG1 VAL 15 3HG1 VAL 15 -3.046 4.618 -9.696 141 2HG1 VAL 15 1HG1 VAL 15 -2.956 6.237 -9.017 142 3HG1 VAL 15 2HG1 VAL 15 -2.805 6.000 -10.755 143 1HG2 VAL 15 2HG2 VAL 15 -0.797 7.455 -8.922 144 2HG2 VAL 15 3HG2 VAL 15 0.646 6.775 -9.661 145 3HG2 VAL 15 1HG2 VAL 15 -0.698 7.295 -10.668 146 QG1 VAL 15 QG1 VAL 15 -2.935 5.618 -9.822 147 QG2 VAL 15 QG2 VAL 15 -0.283 7.175 -9.750 148 QQG VAL 15 QQG VAL 15 -1.609 6.397 -9.786 149 NH1 ARG 16 NH1 ARG 16 -4.217 0.589 -11.478 150 NH2 ARG 16 NH2 ARG 16 -3.514 -0.785 -13.157 151 H ARG 16 HN ARG 16 0.201 2.685 -9.370 152 HA ARG 16 HA ARG 16 -2.062 0.981 -9.399 153 1HB ARG 16 2HB ARG 16 0.846 0.149 -9.042 154 2HB ARG 16 3HB ARG 16 -0.448 -0.892 -9.603 155 1HG ARG 16 2HG ARG 16 0.785 1.498 -11.014 156 2HG ARG 16 3HG ARG 16 0.697 -0.162 -11.585 157 1HD ARG 16 2HD ARG 16 -1.561 1.857 -11.372 158 2HD ARG 16 3HD ARG 16 -0.981 1.025 -12.810 159 HE ARG 16 HE ARG 16 -1.893 -0.944 -10.919 160 1HH1 ARG 16 2HH1 ARG 16 -3.990 1.106 -10.644 161 2HH1 ARG 16 1HH1 ARG 16 -5.137 0.653 -11.855 162 1HH2 ARG 16 2HH2 ARG 16 -2.768 -1.308 -13.571 163 2HH2 ARG 16 1HH2 ARG 16 -4.409 -0.763 -13.605 164 QB ARG 16 QB ARG 16 0.199 -0.371 -9.322 165 QG ARG 16 QG ARG 16 0.741 0.668 -11.300 166 QD ARG 16 QD ARG 16 -1.271 1.441 -12.091 167 QH1 ARG 16 QH1 ARG 16 -4.563 0.879 -11.250 168 QH2 ARG 16 QH2 ARG 16 -3.588 -1.036 -13.588 169 H ALA 17 HN ALA 17 0.457 1.228 -6.914 170 HA ALA 17 HA ALA 17 -0.493 -0.722 -5.115 171 1HB ALA 17 1HB ALA 17 0.609 2.035 -4.441 172 2HB ALA 17 2HB ALA 17 0.502 0.688 -3.312 173 3HB ALA 17 3HB ALA 17 1.573 0.590 -4.706 174 QB ALA 17 QB ALA 17 0.895 1.104 -4.153 175 H LYS 18 HN LYS 18 -1.347 2.689 -5.341 176 HA LYS 18 HA LYS 18 -3.421 2.755 -3.402 177 1HB LYS 18 2HB LYS 18 -2.879 4.891 -4.139 178 2HB LYS 18 3HB LYS 18 -2.727 4.393 -5.808 179 1HG LYS 18 2HG LYS 18 -5.489 4.256 -4.668 180 2HG LYS 18 3HG LYS 18 -4.818 5.860 -4.891 181 1HD LYS 18 2HD LYS 18 -4.434 5.497 -7.241 182 2HD LYS 18 3HD LYS 18 -4.768 3.787 -7.112 183 1HE LYS 18 2HE LYS 18 -6.786 6.011 -6.637 184 2HE LYS 18 3HE LYS 18 -6.697 4.998 -8.077 185 1HZ LYS 18 1HZ LYS 18 -6.766 3.253 -5.946 186 2HZ LYS 18 2HZ LYS 18 -7.910 4.448 -5.576 187 3HZ LYS 18 3HZ LYS 18 -8.043 3.584 -7.027 188 QB LYS 18 QB LYS 18 -2.803 4.642 -4.973 189 QG LYS 18 QG LYS 18 -5.153 5.058 -4.779 190 QD LYS 18 QD LYS 18 -4.601 4.642 -7.176 191 QE LYS 18 QE LYS 18 -6.741 5.504 -7.357 192 QZ LYS 18 QZ LYS 18 -7.573 3.762 -6.183 193 H ASP 19 HN ASP 19 -3.650 2.020 -6.853 194 HA ASP 19 HA ASP 19 -6.471 1.602 -6.944 195 1HB ASP 19 2HB ASP 19 -4.210 0.462 -8.597 196 2HB ASP 19 3HB ASP 19 -5.897 0.196 -8.995 197 QB ASP 19 QB ASP 19 -5.053 0.329 -8.796 198 H LEU 20 HN LEU 20 -3.928 -0.833 -6.711 199 HA LEU 20 HA LEU 20 -5.663 -3.069 -6.368 200 1HB LEU 20 2HB LEU 20 -3.347 -3.464 -6.910 201 2HB LEU 20 3HB LEU 20 -2.796 -2.567 -5.508 202 HG LEU 20 HG LEU 20 -3.619 -4.293 -3.998 203 1HD1 LEU 20 3HD1 LEU 20 -4.664 -5.674 -6.502 204 2HD1 LEU 20 1HD1 LEU 20 -4.673 -6.362 -4.884 205 3HD1 LEU 20 2HD1 LEU 20 -5.661 -4.957 -5.240 206 1HD2 LEU 20 3HD2 LEU 20 -2.153 -5.501 -6.372 207 2HD2 LEU 20 1HD2 LEU 20 -1.398 -4.663 -5.025 208 3HD2 LEU 20 2HD2 LEU 20 -2.212 -6.198 -4.757 209 QB LEU 20 QB LEU 20 -3.071 -3.016 -6.209 210 QD1 LEU 20 QD1 LEU 20 -4.999 -5.664 -5.542 211 QD2 LEU 20 QD2 LEU 20 -1.921 -5.454 -5.385 212 QQD LEU 20 QQD LEU 20 -3.460 -5.559 -5.463 213 H ALA 21 HN ALA 21 -3.944 -1.087 -3.989 214 HA ALA 21 HA ALA 21 -4.974 -2.348 -1.659 215 1HB ALA 21 1HB ALA 21 -3.092 -0.703 -1.657 216 2HB ALA 21 2HB ALA 21 -4.226 0.576 -2.070 217 3HB ALA 21 3HB ALA 21 -4.348 -0.242 -0.518 218 QB ALA 21 QB ALA 21 -3.889 -0.123 -1.415 219 H GLU 22 HN GLU 22 -6.166 0.352 -3.609 220 HA GLU 22 HA GLU 22 -8.418 1.015 -2.013 221 1HB GLU 22 2HB GLU 22 -7.580 2.350 -3.939 222 2HB GLU 22 3HB GLU 22 -8.202 1.126 -5.034 223 1HG GLU 22 2HG GLU 22 -10.479 1.552 -4.292 224 2HG GLU 22 3HG GLU 22 -9.900 2.657 -3.042 225 QB GLU 22 QB GLU 22 -7.891 1.738 -4.487 226 QG GLU 22 QG GLU 22 -10.189 2.104 -3.667 227 H LYS 23 HN LYS 23 -8.201 -1.299 -4.771 228 HA LYS 23 HA LYS 23 -10.944 -2.033 -4.583 229 1HB LYS 23 2HB LYS 23 -9.370 -2.857 -6.422 230 2HB LYS 23 3HB LYS 23 -8.771 -4.041 -5.268 231 1HG LYS 23 2HG LYS 23 -10.535 -5.151 -6.499 232 2HG LYS 23 3HG LYS 23 -11.230 -4.759 -4.930 233 1HD LYS 23 2HD LYS 23 -12.181 -2.654 -5.937 234 2HD LYS 23 3HD LYS 23 -11.579 -3.161 -7.501 235 1HE LYS 23 2HE LYS 23 -13.730 -3.991 -7.659 236 2HE LYS 23 3HE LYS 23 -12.972 -5.375 -6.882 237 1HZ LYS 23 3HZ LYS 23 -13.696 -3.731 -4.791 238 2HZ LYS 23 1HZ LYS 23 -15.001 -3.642 -5.860 239 3HZ LYS 23 2HZ LYS 23 -14.464 -5.146 -5.278 240 QB LYS 23 QB LYS 23 -9.070 -3.449 -5.845 241 QG LYS 23 QG LYS 23 -10.883 -4.955 -5.715 242 QD LYS 23 QD LYS 23 -11.880 -2.908 -6.719 243 QE LYS 23 QE LYS 23 -13.351 -4.683 -7.270 244 QZ LYS 23 QZ LYS 23 -14.387 -4.173 -5.310 245 H LEU 24 HN LEU 24 -8.105 -3.629 -3.040 246 HA LEU 24 HA LEU 24 -9.595 -5.469 -1.474 247 1HB LEU 24 2HB LEU 24 -7.093 -3.896 -0.750 248 2HB LEU 24 3HB LEU 24 -7.773 -5.130 0.303 249 HG LEU 24 HG LEU 24 -7.148 -5.715 -2.604 250 1HD1 LEU 24 2HD1 LEU 24 -5.310 -6.042 -0.208 251 2HD1 LEU 24 3HD1 LEU 24 -4.990 -6.628 -1.834 252 3HD1 LEU 24 1HD1 LEU 24 -5.071 -4.903 -1.524 253 1HD2 LEU 24 3HD2 LEU 24 -8.608 -7.312 -1.355 254 2HD2 LEU 24 1HD2 LEU 24 -7.057 -8.034 -1.761 255 3HD2 LEU 24 2HD2 LEU 24 -7.356 -7.471 -0.121 256 QB LEU 24 QB LEU 24 -7.433 -4.513 -0.223 257 QD1 LEU 24 QD1 LEU 24 -5.124 -5.858 -1.189 258 QD2 LEU 24 QD2 LEU 24 -7.674 -7.606 -1.079 259 QQD LEU 24 QQD LEU 24 -6.399 -6.732 -1.134 260 H SER 25 HN SER 25 -8.788 -2.105 -0.782 261 HA SER 25 HA SER 25 -10.095 -1.719 1.638 262 1HB SER 25 2HB SER 25 -8.800 0.014 0.182 263 2HB SER 25 3HB SER 25 -10.361 0.319 -0.595 264 HG SER 25 HG SER 25 -10.446 0.159 2.170 265 QB SER 25 QB SER 25 -9.580 0.166 -0.206 266 H ASN 26 HN ASN 26 -11.487 -1.688 -1.584 267 HA ASN 26 HA ASN 26 -14.197 -1.173 -0.706 268 1HB ASN 26 2HB ASN 26 -13.529 -0.647 -2.985 269 2HB ASN 26 3HB ASN 26 -13.024 -2.303 -3.272 270 1HD2 ASN 26 2HD2 ASN 26 -17.052 -2.207 -2.820 271 2HD2 ASN 26 1HD2 ASN 26 -16.029 -1.856 -1.518 272 QB ASN 26 QB ASN 26 -13.276 -1.475 -3.129 273 QD2 ASN 26 QD2 ASN 26 -16.541 -2.032 -2.169 274 H GLU 27 HN GLU 27 -12.328 -4.108 -1.204 275 HA GLU 27 HA GLU 27 -14.701 -5.814 -0.972 276 1HB GLU 27 2HB GLU 27 -11.839 -6.771 -0.749 277 2HB GLU 27 3HB GLU 27 -13.235 -7.673 -1.292 278 1HG GLU 27 2HG GLU 27 -11.795 -5.469 -2.763 279 2HG GLU 27 3HG GLU 27 -11.953 -7.143 -3.238 280 QB GLU 27 QB GLU 27 -12.537 -7.222 -1.021 281 QG GLU 27 QG GLU 27 -11.874 -6.306 -3.001 282 NH1 ARG 28 NH1 ARG 28 -8.497 -7.833 4.853 283 NH2 ARG 28 NH2 ARG 28 -7.886 -10.004 4.493 284 H ARG 28 HN ARG 28 -12.020 -5.016 1.202 285 HA ARG 28 HA ARG 28 -13.376 -6.671 3.297 286 1HB ARG 28 2HB ARG 28 -10.465 -5.865 3.338 287 2HB ARG 28 3HB ARG 28 -11.242 -7.210 4.170 288 1HG ARG 28 2HG ARG 28 -11.704 -8.310 1.985 289 2HG ARG 28 3HG ARG 28 -10.969 -6.958 1.141 290 1HD ARG 28 2HD ARG 28 -9.363 -8.785 1.289 291 2HD ARG 28 3HD ARG 28 -8.811 -7.436 2.280 292 HE ARG 28 HE ARG 28 -10.219 -9.835 3.440 293 1HH1 ARG 28 2HH1 ARG 28 -9.130 -7.085 4.646 294 2HH1 ARG 28 1HH1 ARG 28 -7.796 -7.698 5.549 295 1HH2 ARG 28 2HH2 ARG 28 -8.067 -10.873 3.991 296 2HH2 ARG 28 1HH2 ARG 28 -7.148 -9.964 5.158 297 QB ARG 28 QB ARG 28 -10.853 -6.537 3.754 298 QG ARG 28 QG ARG 28 -11.336 -7.634 1.563 299 QD ARG 28 QD ARG 28 -9.087 -8.110 1.785 300 QH1 ARG 28 QH1 ARG 28 -8.463 -7.392 5.098 301 QH2 ARG 28 QH2 ARG 28 -7.608 -10.419 4.574 302 H ASP 29 HN ASP 29 -13.847 -5.834 5.238 303 HA ASP 29 HA ASP 29 -14.258 -3.023 5.500 304 1HB ASP 29 2HB ASP 29 -14.121 -4.996 7.807 305 2HB ASP 29 3HB ASP 29 -15.118 -3.553 7.673 306 QB ASP 29 QB ASP 29 -14.620 -4.274 7.740 307 H ASP 30 HN ASP 30 -11.732 -5.099 6.873 308 HA ASP 30 HA ASP 30 -10.623 -2.845 8.406 309 1HB ASP 30 2HB ASP 30 -9.221 -4.421 9.432 310 2HB ASP 30 3HB ASP 30 -10.627 -5.405 9.042 311 QB ASP 30 QB ASP 30 -9.924 -4.913 9.237 312 H PHE 31 HN PHE 31 -10.647 -2.968 5.322 313 HA PHE 31 HA PHE 31 -7.689 -2.618 5.005 314 1HB PHE 31 2HB PHE 31 -8.935 -4.465 3.722 315 2HB PHE 31 3HB PHE 31 -9.604 -3.174 2.741 316 HD1 PHE 31 1HD PHE 31 -7.764 -1.404 1.871 317 HD2 PHE 31 2HD PHE 31 -6.901 -5.356 3.153 318 HE1 PHE 31 1HE PHE 31 -5.620 -1.311 0.702 319 HE2 PHE 31 2HE PHE 31 -4.742 -5.269 1.973 320 HZ PHE 31 HZ PHE 31 -4.105 -3.249 0.742 321 QB PHE 31 QB PHE 31 -9.270 -3.819 3.232 322 QR PHE 31 QR PHE 31 -6.257 -3.335 1.925 323 H GLN 32 HN GLN 32 -7.003 -0.666 4.667 324 HA GLN 32 HA GLN 32 -8.686 1.373 3.270 325 1HB GLN 32 2HB GLN 32 -6.991 2.074 5.694 326 2HB GLN 32 3HB GLN 32 -8.251 3.040 4.947 327 1HG GLN 32 2HG GLN 32 -9.990 1.616 5.830 328 2HG GLN 32 3HG GLN 32 -8.821 0.394 6.335 329 1HE2 GLN 32 2HE2 GLN 32 -9.758 3.149 9.003 330 2HE2 GLN 32 1HE2 GLN 32 -10.739 2.656 7.706 331 QB GLN 32 QB GLN 32 -7.621 2.557 5.320 332 QG GLN 32 QG GLN 32 -9.405 1.005 6.083 333 QE2 GLN 32 QE2 GLN 32 -10.249 2.902 8.355 334 OH TYR 33 OH TYR 33 -7.953 6.122 -2.867 335 H TYR 33 HN TYR 33 -7.055 3.319 2.674 336 HA TYR 33 HA TYR 33 -4.264 2.334 2.506 337 1HB TYR 33 2HB TYR 33 -4.022 2.538 0.155 338 2HB TYR 33 3HB TYR 33 -5.468 1.573 0.401 339 HD1 TYR 33 HD1 TYR 33 -7.760 2.697 0.104 340 HD2 TYR 33 HD2 TYR 33 -4.123 4.642 -0.958 341 HE1 TYR 33 HE1 TYR 33 -8.995 4.211 -1.370 342 HE2 TYR 33 HE2 TYR 33 -5.366 6.159 -2.428 343 HH TYR 33 HH TYR 33 -8.594 5.589 -3.366 344 QB TYR 33 QB TYR 33 -4.745 2.055 0.278 345 QR TYR 33 QR TYR 33 -6.561 4.427 -1.163 346 H GLN 34 HN GLN 34 -2.730 3.897 2.208 347 HA GLN 34 HA GLN 34 -3.600 6.744 2.132 348 1HB GLN 34 2HB GLN 34 -2.597 5.376 4.411 349 2HB GLN 34 3HB GLN 34 -1.268 6.357 3.833 350 1HG GLN 34 2HG GLN 34 -4.065 7.442 4.325 351 2HG GLN 34 3HG GLN 34 -2.748 7.550 5.489 352 1HE2 GLN 34 2HE2 GLN 34 -1.328 10.345 3.888 353 2HE2 GLN 34 1HE2 GLN 34 -1.454 9.396 5.294 354 QB GLN 34 QB GLN 34 -1.932 5.867 4.122 355 QG GLN 34 QG GLN 34 -3.407 7.496 4.907 356 QE2 GLN 34 QE2 GLN 34 -1.391 9.871 4.591 357 OH TYR 35 OH TYR 35 3.561 8.938 -4.974 358 H TYR 35 HN TYR 35 -2.194 8.074 0.983 359 HA TYR 35 HA TYR 35 0.289 6.750 -0.050 360 1HB TYR 35 2HB TYR 35 -1.350 6.849 -1.888 361 2HB TYR 35 3HB TYR 35 -1.600 8.567 -1.610 362 HD1 TYR 35 HD2 TYR 35 1.781 7.096 -1.272 363 HD2 TYR 35 HD1 TYR 35 -0.860 9.091 -3.953 364 HE1 TYR 35 HE2 TYR 35 3.664 7.652 -2.701 365 HE2 TYR 35 HE1 TYR 35 1.046 9.607 -5.416 366 HH TYR 35 HH TYR 35 4.361 8.822 -4.433 367 QB TYR 35 QB TYR 35 -1.475 7.708 -1.749 368 QR TYR 35 QR TYR 35 1.408 8.362 -3.335 369 H VAL 36 HN VAL 36 2.046 7.822 0.597 370 HA VAL 36 HA VAL 36 1.823 10.784 0.982 371 HB VAL 36 HB VAL 36 3.575 8.931 2.646 372 1HG1 VAL 36 2HG1 VAL 36 2.654 11.804 3.043 373 2HG1 VAL 36 3HG1 VAL 36 3.640 10.890 4.177 374 3HG1 VAL 36 1HG1 VAL 36 4.276 11.301 2.590 375 1HG2 VAL 36 1HG2 VAL 36 0.821 10.038 3.303 376 2HG2 VAL 36 2HG2 VAL 36 1.216 8.341 3.060 377 3HG2 VAL 36 3HG2 VAL 36 1.870 9.208 4.446 378 QG1 VAL 36 QG1 VAL 36 3.523 11.332 3.270 379 QG2 VAL 36 QG2 VAL 36 1.302 9.196 3.603 380 QQG VAL 36 QQG VAL 36 2.413 10.264 3.436 381 H ASP 37 HN ASP 37 3.722 11.953 0.602 382 HA ASP 37 HA ASP 37 5.635 10.602 -1.274 383 1HB ASP 37 2HB ASP 37 4.527 12.394 -2.445 384 2HB ASP 37 3HB ASP 37 4.657 13.474 -1.069 385 QB ASP 37 QB ASP 37 4.592 12.934 -1.757 386 H ILE 38 HN ILE 38 7.643 10.365 -0.462 387 HA ILE 38 HA ILE 38 8.469 10.899 2.095 388 HB ILE 38 HB ILE 38 10.843 11.026 1.098 389 1HG1 ILE 38 2HG1 ILE 38 9.203 10.675 -1.451 390 2HG1 ILE 38 3HG1 ILE 38 10.266 12.018 -1.063 391 1HG2 ILE 38 2HG2 ILE 38 9.760 8.943 1.880 392 2HG2 ILE 38 3HG2 ILE 38 8.994 8.738 0.312 393 3HG2 ILE 38 1HG2 ILE 38 10.744 8.631 0.459 394 1HD1 ILE 38 2HD1 ILE 38 12.210 10.477 -1.032 395 2HD1 ILE 38 3HD1 ILE 38 11.145 9.136 -1.443 396 3HD1 ILE 38 1HD1 ILE 38 11.390 10.444 -2.591 397 QG1 ILE 38 QG1 ILE 38 9.734 11.346 -1.257 398 QG2 ILE 38 QG2 ILE 38 9.832 8.770 0.883 399 QD1 ILE 38 QD1 ILE 38 11.582 10.019 -1.689 400 NH1 ARG 39 NH2 ARG 39 7.218 19.274 1.117 401 NH2 ARG 39 NH1 ARG 39 6.943 21.054 -0.300 402 H ARG 39 HN ARG 39 8.604 13.221 -0.585 403 HA ARG 39 HA ARG 39 9.967 15.228 1.051 404 1HB ARG 39 2HB ARG 39 10.200 15.254 -1.402 405 2HB ARG 39 3HB ARG 39 8.476 15.532 -1.584 406 1HG ARG 39 2HG ARG 39 9.838 17.463 0.215 407 2HG ARG 39 3HG ARG 39 10.398 17.523 -1.445 408 1HD ARG 39 2HD ARG 39 8.202 18.003 -2.280 409 2HD ARG 39 3HD ARG 39 7.438 17.565 -0.760 410 HE ARG 39 HE ARG 39 9.212 19.988 -1.020 411 1HH1 ARG 39 2HH2 ARG 39 7.707 18.423 1.330 412 2HH1 ARG 39 1HH2 ARG 39 6.500 19.588 1.735 413 1HH2 ARG 39 2HH1 ARG 39 7.195 21.514 -1.155 414 2HH2 ARG 39 1HH1 ARG 39 6.239 21.455 0.287 415 QB ARG 39 QB ARG 39 9.338 15.393 -1.493 416 QG ARG 39 QG ARG 39 10.118 17.493 -0.615 417 QD ARG 39 QD ARG 39 7.820 17.784 -1.520 418 QH1 ARG 39 QH2 ARG 39 7.103 19.006 1.532 419 QH2 ARG 39 QH1 ARG 39 6.717 21.484 -0.434 420 H ALA 40 HN ALA 40 6.613 14.469 0.362 421 HA ALA 40 HA ALA 40 5.377 16.915 1.059 422 1HB ALA 40 1HB ALA 40 4.447 14.103 1.724 423 2HB ALA 40 2HB ALA 40 3.430 15.539 1.756 424 3HB ALA 40 3HB ALA 40 4.111 14.977 0.234 425 QB ALA 40 QB ALA 40 3.996 14.873 1.238 426 H GLU 41 HN GLU 41 6.170 14.232 3.271 427 HA GLU 41 HA GLU 41 5.676 16.048 5.583 428 1HB GLU 41 2HB GLU 41 6.284 13.070 5.512 429 2HB GLU 41 3HB GLU 41 5.979 13.993 6.974 430 1HG GLU 41 2HG GLU 41 3.709 14.612 6.045 431 2HG GLU 41 3HG GLU 41 4.013 13.513 4.697 432 QB GLU 41 QB GLU 41 6.131 13.531 6.243 433 QG GLU 41 QG GLU 41 3.861 14.062 5.371 434 H GLY 42 HN GLY 42 8.354 14.304 4.062 435 1HA GLY 42 1HA GLY 42 10.615 15.305 4.262 436 2HA GLY 42 2HA GLY 42 10.211 15.772 5.912 437 QA GLY 42 QA GLY 42 10.413 15.539 5.087 438 H ILE 43 HN ILE 43 9.903 12.794 4.082 439 HA ILE 43 HA ILE 43 10.996 11.233 6.354 440 HB ILE 43 HB ILE 43 9.608 10.412 3.774 441 1HG1 ILE 43 2HG1 ILE 43 8.481 10.405 6.597 442 2HG1 ILE 43 3HG1 ILE 43 8.259 11.763 5.503 443 1HG2 ILE 43 1HG2 ILE 43 11.044 8.622 4.696 444 2HG2 ILE 43 2HG2 ILE 43 10.259 8.797 6.258 445 3HG2 ILE 43 3HG2 ILE 43 9.345 8.214 4.874 446 1HD1 ILE 43 2HD1 ILE 43 7.197 10.243 3.845 447 2HD1 ILE 43 3HD1 ILE 43 7.397 8.903 4.970 448 3HD1 ILE 43 1HD1 ILE 43 6.324 10.238 5.376 449 QG1 ILE 43 QG1 ILE 43 8.370 11.084 6.050 450 QG2 ILE 43 QG2 ILE 43 10.216 8.544 5.276 451 QD1 ILE 43 QD1 ILE 43 6.973 9.795 4.730 452 H THR 44 HN THR 44 12.984 10.173 6.155 453 HA THR 44 HA THR 44 14.436 10.698 3.603 454 HB THR 44 HB THR 44 16.496 10.630 4.911 455 HG1 THR 44 1HG THR 44 16.515 9.407 6.590 456 1HG2 THR 44 3HG2 THR 44 15.101 12.723 5.335 457 2HG2 THR 44 1HG2 THR 44 14.383 11.906 6.718 458 3HG2 THR 44 2HG2 THR 44 16.105 12.270 6.707 459 QG2 THR 44 QG2 THR 44 15.196 12.300 6.253 460 H LYS 45 HN LYS 45 16.071 9.122 3.008 461 HA LYS 45 HA LYS 45 15.012 6.542 2.511 462 1HB LYS 45 2HB LYS 45 16.857 7.583 1.227 463 2HB LYS 45 3HB LYS 45 17.910 7.463 2.626 464 1HG LYS 45 2HG LYS 45 17.158 4.874 2.458 465 2HG LYS 45 3HG LYS 45 16.926 5.311 0.775 466 1HD LYS 45 2HD LYS 45 19.195 4.496 1.046 467 2HD LYS 45 3HD LYS 45 19.272 6.225 0.748 468 1HE LYS 45 2HE LYS 45 20.034 6.690 2.851 469 2HE LYS 45 3HE LYS 45 19.022 5.474 3.617 470 1HZ LYS 45 2HZ LYS 45 20.982 4.229 2.013 471 2HZ LYS 45 3HZ LYS 45 21.727 5.326 3.071 472 3HZ LYS 45 1HZ LYS 45 20.721 4.093 3.680 473 QB LYS 45 QB LYS 45 17.383 7.523 1.927 474 QG LYS 45 QG LYS 45 17.042 5.093 1.617 475 QD LYS 45 QD LYS 45 19.233 5.360 0.897 476 QE LYS 45 QE LYS 45 19.528 6.082 3.234 477 QZ LYS 45 QZ LYS 45 21.143 4.549 2.921 478 H GLU 46 HN GLU 46 16.999 7.738 5.143 479 HA GLU 46 HA GLU 46 17.607 5.140 6.271 480 1HB GLU 46 2HB GLU 46 17.550 7.831 7.691 481 2HB GLU 46 3HB GLU 46 18.324 6.370 8.279 482 1HG GLU 46 2HG GLU 46 20.066 7.726 7.285 483 2HG GLU 46 3HG GLU 46 19.767 6.393 6.175 484 QB GLU 46 QB GLU 46 17.937 7.100 7.985 485 QG GLU 46 QG GLU 46 19.917 7.059 6.730 486 H ASP 47 HN ASP 47 15.174 7.685 7.031 487 HA ASP 47 HA ASP 47 13.893 6.198 9.101 488 1HB ASP 47 2HB ASP 47 13.211 8.522 8.694 489 2HB ASP 47 3HB ASP 47 12.617 8.097 7.086 490 QB ASP 47 QB ASP 47 12.914 8.309 7.890 491 H LEU 48 HN LEU 48 13.208 6.334 5.621 492 HA LEU 48 HA LEU 48 11.147 4.387 5.569 493 1HB LEU 48 2HB LEU 48 13.116 5.453 3.608 494 2HB LEU 48 3HB LEU 48 12.504 3.855 3.217 495 HG LEU 48 HG LEU 48 10.684 6.190 3.926 496 1HD1 LEU 48 3HD1 LEU 48 11.523 5.152 1.191 497 2HD1 LEU 48 1HD1 LEU 48 10.307 6.391 1.485 498 3HD1 LEU 48 2HD1 LEU 48 11.994 6.704 1.880 499 1HD2 LEU 48 1HD2 LEU 48 10.195 3.526 2.538 500 2HD2 LEU 48 2HD2 LEU 48 9.725 3.897 4.189 501 3HD2 LEU 48 3HD2 LEU 48 8.968 4.741 2.844 502 QB LEU 48 QB LEU 48 12.810 4.654 3.413 503 QD1 LEU 48 QD1 LEU 48 11.275 6.082 1.519 504 QD2 LEU 48 QD2 LEU 48 9.630 4.055 3.190 505 QQD LEU 48 QQD LEU 48 10.452 5.069 2.354 506 H GLN 49 HN GLN 49 14.636 3.868 5.084 507 HA GLN 49 HA GLN 49 14.674 1.073 4.992 508 1HB GLN 49 2HB GLN 49 16.588 2.664 4.622 509 2HB GLN 49 3HB GLN 49 16.686 2.905 6.357 510 1HG GLN 49 2HG GLN 49 16.792 0.080 5.371 511 2HG GLN 49 3HG GLN 49 18.203 1.095 5.090 512 1HE2 GLN 49 2HE2 GLN 49 17.378 -0.186 8.827 513 2HE2 GLN 49 1HE2 GLN 49 16.389 -0.609 7.509 514 QB GLN 49 QB GLN 49 16.637 2.784 5.490 515 QG GLN 49 QG GLN 49 17.497 0.588 5.230 516 QE2 GLN 49 QE2 GLN 49 16.884 -0.397 8.168 517 H GLN 50 HN GLN 50 14.962 3.118 7.888 518 HA GLN 50 HA GLN 50 15.096 1.099 9.852 519 1HB GLN 50 2HB GLN 50 15.355 3.587 10.252 520 2HB GLN 50 3HB GLN 50 13.616 3.760 10.070 521 1HG GLN 50 2HG GLN 50 13.324 2.096 11.956 522 2HG GLN 50 3HG GLN 50 15.068 2.136 12.191 523 1HE2 GLN 50 2HE2 GLN 50 12.768 5.205 13.512 524 2HE2 GLN 50 1HE2 GLN 50 12.091 3.926 12.625 525 QB GLN 50 QB GLN 50 14.486 3.674 10.161 526 QG GLN 50 QG GLN 50 14.196 2.116 12.073 527 QE2 GLN 50 QE2 GLN 50 12.430 4.565 13.069 528 H LYS 51 HN LYS 51 12.275 2.822 8.646 529 HA LYS 51 HA LYS 51 10.255 1.351 9.939 530 1HB LYS 51 2HB LYS 51 10.389 2.901 7.357 531 2HB LYS 51 3HB LYS 51 8.921 2.050 7.772 532 1HG LYS 51 2HG LYS 51 9.075 3.265 10.059 533 2HG LYS 51 3HG LYS 51 10.286 4.285 9.283 534 1HD LYS 51 2HD LYS 51 8.690 4.911 7.530 535 2HD LYS 51 3HD LYS 51 7.487 3.808 8.184 536 1HE LYS 51 2HE LYS 51 7.039 6.157 8.849 537 2HE LYS 51 3HE LYS 51 7.343 5.129 10.243 538 1HZ LYS 51 1HZ LYS 51 9.822 6.056 9.478 539 2HZ LYS 51 2HZ LYS 51 8.819 7.387 9.307 540 3HZ LYS 51 3HZ LYS 51 8.919 6.597 10.811 541 QB LYS 51 QB LYS 51 9.655 2.475 7.565 542 QG LYS 51 QG LYS 51 9.681 3.775 9.671 543 QD LYS 51 QD LYS 51 8.089 4.359 7.857 544 QE LYS 51 QE LYS 51 7.191 5.643 9.546 545 QZ LYS 51 QZ LYS 51 9.187 6.680 9.865 546 H ALA 52 HN ALA 52 11.935 0.728 6.935 547 HA ALA 52 HA ALA 52 10.388 -1.455 5.977 548 1HB ALA 52 2HB ALA 52 12.086 -0.290 4.622 549 2HB ALA 52 3HB ALA 52 13.360 -0.958 5.637 550 3HB ALA 52 1HB ALA 52 12.385 -2.022 4.639 551 QB ALA 52 QB ALA 52 12.610 -1.090 4.966 552 H GLY 53 HN GLY 53 13.308 -1.491 7.974 553 1HA GLY 53 1HA GLY 53 13.591 -2.928 9.901 554 2HA GLY 53 2HA GLY 53 12.328 -3.979 9.275 555 QA GLY 53 QA GLY 53 12.960 -3.454 9.588 556 H LYS 54 HN LYS 54 13.352 -4.216 6.665 557 HA LYS 54 HA LYS 54 15.889 -5.739 7.155 558 1HB LYS 54 2HB LYS 54 13.481 -6.592 5.500 559 2HB LYS 54 3HB LYS 54 15.004 -7.468 5.548 560 1HG LYS 54 2HG LYS 54 14.728 -7.657 8.065 561 2HG LYS 54 3HG LYS 54 13.124 -6.963 7.877 562 1HD LYS 54 2HD LYS 54 12.439 -8.813 6.427 563 2HD LYS 54 3HD LYS 54 14.070 -9.475 6.451 564 1HE LYS 54 2HE LYS 54 12.698 -10.726 8.035 565 2HE LYS 54 3HE LYS 54 13.883 -9.779 8.925 566 1HZ LYS 54 3HZ LYS 54 11.599 -8.197 8.586 567 2HZ LYS 54 1HZ LYS 54 11.092 -9.722 9.141 568 3HZ LYS 54 2HZ LYS 54 12.234 -8.838 10.032 569 QB LYS 54 QB LYS 54 14.242 -7.030 5.524 570 QG LYS 54 QG LYS 54 13.926 -7.310 7.971 571 QD LYS 54 QD LYS 54 13.255 -9.144 6.439 572 QE LYS 54 QE LYS 54 13.291 -10.252 8.480 573 QZ LYS 54 QZ LYS 54 11.642 -8.919 9.253 574 HA PRO 55 HA PRO 55 17.926 -3.428 5.031 575 1HB PRO 55 2HB PRO 55 19.797 -4.816 3.591 576 2HB PRO 55 3HB PRO 55 19.625 -4.959 5.346 577 1HG PRO 55 2HG PRO 55 18.650 -6.834 3.186 578 2HG PRO 55 3HG PRO 55 19.336 -7.225 4.768 579 1HD PRO 55 2HD PRO 55 16.612 -7.230 4.210 580 2HD PRO 55 3HD PRO 55 17.291 -7.018 5.837 581 QB PRO 55 QB PRO 55 19.711 -4.887 4.468 582 QG PRO 55 QG PRO 55 18.993 -7.029 3.977 583 QD PRO 55 QD PRO 55 16.951 -7.124 5.024 584 H VAL 56 HN VAL 56 16.008 -2.682 3.522 585 HA VAL 56 HA VAL 56 17.152 -2.444 0.792 586 HB VAL 56 HB VAL 56 15.515 -4.124 0.524 587 1HG1 VAL 56 2HG1 VAL 56 13.661 -2.289 2.057 588 2HG1 VAL 56 3HG1 VAL 56 13.174 -3.792 1.273 589 3HG1 VAL 56 1HG1 VAL 56 14.314 -3.826 2.608 590 1HG2 VAL 56 2HG2 VAL 56 15.499 -2.377 -1.220 591 2HG2 VAL 56 3HG2 VAL 56 13.888 -3.033 -0.979 592 3HG2 VAL 56 1HG2 VAL 56 14.304 -1.463 -0.308 593 QG1 VAL 56 QG1 VAL 56 13.716 -3.302 1.979 594 QG2 VAL 56 QG2 VAL 56 14.564 -2.291 -0.836 595 QQG VAL 56 QQG VAL 56 14.140 -2.797 0.572 596 H GLU 57 HN GLU 57 17.311 -0.372 0.142 597 HA GLU 57 HA GLU 57 15.594 1.680 1.497 598 1HB GLU 57 2HB GLU 57 18.191 2.573 0.343 599 2HB GLU 57 3HB GLU 57 17.389 3.057 1.822 600 1HG GLU 57 2HG GLU 57 18.135 1.002 2.942 601 2HG GLU 57 3HG GLU 57 18.917 0.464 1.459 602 QB GLU 57 QB GLU 57 17.790 2.815 1.083 603 QG GLU 57 QG GLU 57 18.526 0.733 2.201 604 H THR 58 HN THR 58 14.288 0.919 -0.472 605 HA THR 58 HA THR 58 15.137 2.400 -2.926 606 HB THR 58 HB THR 58 13.520 0.760 -4.074 607 HG1 THR 58 1HG THR 58 12.371 0.438 -2.062 608 1HG2 THR 58 1HG2 THR 58 15.644 -0.542 -2.294 609 2HG2 THR 58 2HG2 THR 58 14.978 -1.231 -3.772 610 3HG2 THR 58 3HG2 THR 58 16.000 0.202 -3.847 611 QG2 THR 58 QG2 THR 58 15.541 -0.523 -3.304 612 H VAL 59 HN VAL 59 13.700 3.647 -4.060 613 HA VAL 59 HA VAL 59 11.186 4.410 -2.645 614 HB VAL 59 HB VAL 59 11.473 6.657 -3.812 615 1HG1 VAL 59 1HG1 VAL 59 12.067 6.356 -1.431 616 2HG1 VAL 59 2HG1 VAL 59 13.684 5.833 -1.895 617 3HG1 VAL 59 3HG1 VAL 59 13.168 7.487 -2.209 618 1HG2 VAL 59 3HG2 VAL 59 13.058 5.887 -5.571 619 2HG2 VAL 59 1HG2 VAL 59 13.726 7.230 -4.651 620 3HG2 VAL 59 2HG2 VAL 59 14.276 5.592 -4.335 621 QG1 VAL 59 QG1 VAL 59 12.973 6.559 -1.845 622 QG2 VAL 59 QG2 VAL 59 13.687 6.237 -4.852 623 QQG VAL 59 QQG VAL 59 13.330 6.398 -3.349 624 HA PRO 60 HA PRO 60 9.306 5.137 -2.897 625 1HB PRO 60 2HB PRO 60 6.951 3.748 -4.082 626 2HB PRO 60 3HB PRO 60 7.071 5.391 -3.448 627 1HG PRO 60 2HG PRO 60 6.893 4.906 -6.119 628 2HG PRO 60 3HG PRO 60 7.850 6.260 -5.495 629 1HD PRO 60 2HD PRO 60 8.794 3.564 -6.481 630 2HD PRO 60 3HD PRO 60 9.542 5.164 -6.708 631 QB PRO 60 QB PRO 60 7.011 4.570 -3.765 632 QG PRO 60 QG PRO 60 7.372 5.583 -5.807 633 QD PRO 60 QD PRO 60 9.168 4.364 -6.595 634 H GLN 61 HN GLN 61 8.102 3.775 -1.252 635 HA GLN 61 HA GLN 61 8.786 0.854 -1.420 636 1HB GLN 61 2HB GLN 61 10.395 2.261 0.011 637 2HB GLN 61 3HB GLN 61 9.028 2.594 1.060 638 1HG GLN 61 2HG GLN 61 8.889 0.358 1.811 639 2HG GLN 61 3HG GLN 61 9.742 -0.264 0.402 640 1HE2 GLN 61 2HE2 GLN 61 12.662 -0.353 2.390 641 2HE2 GLN 61 1HE2 GLN 61 11.544 -1.225 1.455 642 QB GLN 61 QB GLN 61 9.711 2.428 0.535 643 QG GLN 61 QG GLN 61 9.315 0.047 1.106 644 QE2 GLN 61 QE2 GLN 61 12.103 -0.789 1.923 645 H ILE 62 HN ILE 62 7.211 -0.478 -0.207 646 HA ILE 62 HA ILE 62 4.727 1.034 0.495 647 HB ILE 62 HB ILE 62 4.988 -1.727 -0.756 648 1HG1 ILE 62 2HG1 ILE 62 4.138 0.988 -1.824 649 2HG1 ILE 62 3HG1 ILE 62 5.452 -0.032 -2.398 650 1HG2 ILE 62 3HG2 ILE 62 3.038 -1.509 0.821 651 2HG2 ILE 62 1HG2 ILE 62 2.474 -0.126 -0.114 652 3HG2 ILE 62 2HG2 ILE 62 2.534 -1.731 -0.847 653 1HD1 ILE 62 2HD1 ILE 62 3.783 -1.762 -3.062 654 2HD1 ILE 62 3HD1 ILE 62 2.486 -0.670 -2.580 655 3HD1 ILE 62 1HD1 ILE 62 3.550 -0.241 -3.917 656 QG1 ILE 62 QG1 ILE 62 4.795 0.478 -2.111 657 QG2 ILE 62 QG2 ILE 62 2.682 -1.122 -0.047 658 QD1 ILE 62 QD1 ILE 62 3.273 -0.891 -3.186 659 H PHE 63 HN PHE 63 3.608 0.476 2.217 660 HA PHE 63 HA PHE 63 4.620 -1.715 3.971 661 1HB PHE 63 2HB PHE 63 3.880 1.118 4.821 662 2HB PHE 63 3HB PHE 63 4.184 -0.202 5.945 663 HD1 PHE 63 2HD PHE 63 5.755 1.823 3.241 664 HD2 PHE 63 1HD PHE 63 6.430 -0.756 6.565 665 HE1 PHE 63 2HE PHE 63 8.145 2.304 3.130 666 HE2 PHE 63 1HE PHE 63 8.824 -0.289 6.439 667 HZ PHE 63 HZ PHE 63 9.704 1.228 4.703 668 QB PHE 63 QB PHE 63 4.032 0.458 5.383 669 QR PHE 63 QR PHE 63 7.289 0.770 4.843 670 H VAL 64 HN VAL 64 2.984 -2.277 5.614 671 HA VAL 64 HA VAL 64 0.191 -1.701 4.778 672 HB VAL 64 HB VAL 64 1.511 -4.410 5.017 673 1HG1 VAL 64 3HG1 VAL 64 -0.592 -4.433 6.377 674 2HG1 VAL 64 1HG1 VAL 64 -1.480 -3.844 4.974 675 3HG1 VAL 64 2HG1 VAL 64 -0.716 -5.426 4.948 676 1HG2 VAL 64 2HG2 VAL 64 1.444 -3.271 2.792 677 2HG2 VAL 64 3HG2 VAL 64 0.443 -4.716 2.800 678 3HG2 VAL 64 1HG2 VAL 64 -0.303 -3.128 2.929 679 QG1 VAL 64 QG1 VAL 64 -0.929 -4.568 5.433 680 QG2 VAL 64 QG2 VAL 64 0.528 -3.705 2.840 681 QQG VAL 64 QQG VAL 64 -0.201 -4.136 4.137 682 H ASP 65 HN ASP 65 -0.471 -0.694 6.527 683 HA ASP 65 HA ASP 65 -1.145 -0.303 8.708 684 1HB ASP 65 2HB ASP 65 -2.120 -2.613 7.932 685 2HB ASP 65 3HB ASP 65 -1.070 -3.264 9.169 686 QB ASP 65 QB ASP 65 -1.595 -2.939 8.550 687 H GLN 66 HN GLN 66 0.659 -3.187 9.437 688 HA GLN 66 HA GLN 66 2.651 -1.569 10.920 689 1HB GLN 66 2HB GLN 66 0.992 -3.819 12.103 690 2HB GLN 66 3HB GLN 66 2.409 -3.135 12.893 691 1HG GLN 66 2HG GLN 66 1.374 -0.930 12.976 692 2HG GLN 66 3HG GLN 66 0.023 -1.478 11.995 693 1HE2 GLN 66 2HE2 GLN 66 -1.803 -2.548 14.754 694 2HE2 GLN 66 1HE2 GLN 66 -1.767 -2.109 13.106 695 QB GLN 66 QB GLN 66 1.701 -3.477 12.498 696 QG GLN 66 QG GLN 66 0.698 -1.204 12.486 697 QE2 GLN 66 QE2 GLN 66 -1.785 -2.329 13.930 698 H GLN 67 HN GLN 67 2.558 -3.348 8.492 699 HA GLN 67 HA GLN 67 4.910 -5.027 9.115 700 1HB GLN 67 2HB GLN 67 2.875 -6.381 8.789 701 2HB GLN 67 3HB GLN 67 2.484 -5.503 7.314 702 1HG GLN 67 2HG GLN 67 4.641 -6.311 6.342 703 2HG GLN 67 3HG GLN 67 4.863 -7.280 7.794 704 1HE2 GLN 67 2HE2 GLN 67 2.358 -9.668 6.788 705 2HE2 GLN 67 1HE2 GLN 67 3.264 -9.114 8.117 706 QB GLN 67 QB GLN 67 2.680 -5.942 8.051 707 QG GLN 67 QG GLN 67 4.752 -6.795 7.068 708 QE2 GLN 67 QE2 GLN 67 2.811 -9.391 7.452 709 H HIS 68 HN HIS 68 6.361 -5.237 7.145 710 HA HIS 68 HA HIS 68 6.083 -2.874 5.307 711 1HB HIS 68 2HB HIS 68 8.073 -2.658 6.631 712 2HB HIS 68 3HB HIS 68 8.510 -4.323 6.364 713 HD1 HIS 68 HD1 HIS 68 10.609 -3.979 5.227 714 HD2 HIS 68 HD2 HIS 68 7.720 -1.730 3.377 715 HE1 HIS 68 HE1 HIS 68 11.564 -3.291 2.987 716 QB HIS 68 QB HIS 68 8.292 -3.490 6.498 717 H ILE 69 HN ILE 69 6.124 -3.287 3.089 718 HA ILE 69 HA ILE 69 6.044 -6.191 2.368 719 HB ILE 69 HB ILE 69 4.582 -3.744 1.406 720 1HG1 ILE 69 2HG1 ILE 69 2.649 -5.260 1.506 721 2HG1 ILE 69 3HG1 ILE 69 3.707 -6.623 1.827 722 1HG2 ILE 69 2HG2 ILE 69 5.002 -6.236 -0.278 723 2HG2 ILE 69 3HG2 ILE 69 3.840 -4.959 -0.623 724 3HG2 ILE 69 1HG2 ILE 69 5.561 -4.613 -0.673 725 1HD1 ILE 69 2HD1 ILE 69 3.409 -4.205 3.638 726 2HD1 ILE 69 3HD1 ILE 69 2.621 -5.760 3.880 727 3HD1 ILE 69 1HD1 ILE 69 4.367 -5.646 3.971 728 QG1 ILE 69 QG1 ILE 69 3.178 -5.941 1.667 729 QG2 ILE 69 QG2 ILE 69 4.801 -5.270 -0.525 730 QD1 ILE 69 QD1 ILE 69 3.465 -5.204 3.830 731 H GLY 70 HN GLY 70 7.158 -3.059 1.170 732 1HA GLY 70 1HA GLY 70 9.565 -3.103 0.331 733 2HA GLY 70 2HA GLY 70 9.099 -4.522 -0.601 734 QA GLY 70 QA GLY 70 9.332 -3.813 -0.135 735 H GLY 71 HN GLY 71 8.051 -4.231 -2.581 736 1HA GLY 71 1HA GLY 71 7.348 -1.402 -3.311 737 2HA GLY 71 2HA GLY 71 8.219 -2.457 -4.418 738 QA GLY 71 QA GLY 71 7.784 -1.930 -3.864 739 OH TYR 72 OH TYR 72 -0.976 -3.872 -9.017 740 H TYR 72 HN TYR 72 6.054 -1.477 -5.520 741 HA TYR 72 HA TYR 72 3.517 -2.568 -5.037 742 1HB TYR 72 2HB TYR 72 3.923 -0.854 -6.772 743 2HB TYR 72 3HB TYR 72 4.760 -2.046 -7.765 744 HD1 TYR 72 HD2 TYR 72 1.487 -1.607 -5.974 745 HD2 TYR 72 HD1 TYR 72 3.487 -3.215 -9.361 746 HE1 TYR 72 HE2 TYR 72 -0.645 -2.480 -6.819 747 HE2 TYR 72 HE1 TYR 72 1.354 -4.044 -10.229 748 HH TYR 72 HH TYR 72 -1.376 -4.347 -8.276 749 QB TYR 72 QB TYR 72 4.342 -1.450 -7.268 750 QR TYR 72 QR TYR 72 1.421 -2.837 -8.096 751 H THR 73 HN THR 73 6.129 -4.027 -6.972 752 HA THR 73 HA THR 73 4.869 -6.284 -7.996 753 HB THR 73 HB THR 73 7.296 -7.362 -7.343 754 HG1 THR 73 1HG THR 73 8.125 -5.839 -6.028 755 1HG2 THR 73 3HG2 THR 73 7.000 -4.927 -9.176 756 2HG2 THR 73 1HG2 THR 73 8.264 -6.150 -9.278 757 3HG2 THR 73 2HG2 THR 73 6.597 -6.572 -9.659 758 QG2 THR 73 QG2 THR 73 7.287 -5.883 -9.371 759 H ASP 74 HN ASP 74 6.500 -6.129 -4.884 760 HA ASP 74 HA ASP 74 5.678 -8.689 -3.951 761 1HB ASP 74 2HB ASP 74 6.205 -6.249 -2.226 762 2HB ASP 74 3HB ASP 74 6.485 -7.939 -1.811 763 QB ASP 74 QB ASP 74 6.345 -7.094 -2.018 764 H PHE 75 HN PHE 75 4.328 -5.447 -3.369 765 HA PHE 75 HA PHE 75 2.192 -6.086 -1.712 766 1HB PHE 75 2HB PHE 75 2.703 -3.784 -2.562 767 2HB PHE 75 3HB PHE 75 2.034 -4.230 -4.124 768 HD1 PHE 75 2HD PHE 75 0.686 -5.076 -0.720 769 HD2 PHE 75 1HD PHE 75 0.118 -2.864 -4.318 770 HE1 PHE 75 2HE PHE 75 -1.505 -4.332 0.080 771 HE2 PHE 75 1HE PHE 75 -2.083 -2.132 -3.511 772 HZ PHE 75 HZ PHE 75 -2.898 -2.882 -1.316 773 QB PHE 75 QB PHE 75 2.368 -4.007 -3.343 774 QR PHE 75 QR PHE 75 -0.696 -3.601 -2.117 775 H ALA 76 HN ALA 76 2.158 -6.298 -5.261 776 HA ALA 76 HA ALA 76 -0.493 -7.296 -5.551 777 1HB ALA 76 3HB ALA 76 0.878 -6.564 -7.478 778 2HB ALA 76 1HB ALA 76 1.932 -7.957 -7.266 779 3HB ALA 76 2HB ALA 76 0.250 -8.190 -7.738 780 QB ALA 76 QB ALA 76 1.020 -7.570 -7.494 781 H ALA 77 HN ALA 77 2.508 -9.260 -5.494 782 HA ALA 77 HA ALA 77 1.052 -11.786 -5.365 783 1HB ALA 77 1HB ALA 77 3.848 -11.110 -4.326 784 2HB ALA 77 2HB ALA 77 3.224 -12.735 -4.587 785 3HB ALA 77 3HB ALA 77 3.477 -11.659 -5.959 786 QB ALA 77 QB ALA 77 3.516 -11.835 -4.957 787 CH2 TRP 78 CH2 TRP 78 -0.960 -6.852 3.005 788 H TRP 78 HN TRP 78 2.645 -9.904 -2.854 789 HA TRP 78 HA TRP 78 2.109 -11.335 -0.548 790 1HB TRP 78 2HB TRP 78 3.348 -9.242 -0.603 791 2HB TRP 78 3HB TRP 78 1.935 -8.370 -1.099 792 HD1 TRP 78 HD1 TRP 78 3.590 -9.824 2.036 793 HE1 TRP 78 HE1 TRP 78 2.439 -8.899 4.064 794 HE3 TRP 78 HE3 TRP 78 -0.228 -7.524 -0.234 795 HZ2 TRP 78 HZ2 TRP 78 0.215 -7.411 4.701 796 HZ3 TRP 78 HZ3 TRP 78 -1.966 -6.438 1.174 797 HH2 TRP 78 HH2 TRP 78 -1.692 -6.325 3.593 798 QB TRP 78 QB TRP 78 2.642 -8.806 -0.851 799 H VAL 79 HN VAL 79 -0.061 -8.948 -2.042 800 HA VAL 79 HA VAL 79 -2.243 -9.047 -0.345 801 HB VAL 79 HB VAL 79 -1.966 -8.735 -3.336 802 1HG1 VAL 79 2HG1 VAL 79 -4.610 -8.734 -1.834 803 2HG1 VAL 79 3HG1 VAL 79 -4.387 -8.155 -3.481 804 3HG1 VAL 79 1HG1 VAL 79 -4.147 -9.850 -3.109 805 1HG2 VAL 79 1HG2 VAL 79 -2.912 -6.933 -1.077 806 2HG2 VAL 79 2HG2 VAL 79 -1.360 -6.848 -1.893 807 3HG2 VAL 79 3HG2 VAL 79 -2.830 -6.451 -2.768 808 QG1 VAL 79 QG1 VAL 79 -4.381 -8.913 -2.808 809 QG2 VAL 79 QG2 VAL 79 -2.367 -6.744 -1.912 810 QQG VAL 79 QQG VAL 79 -3.374 -7.829 -2.360 811 H LYS 80 HN LYS 80 -1.500 -11.326 -2.930 812 HA LYS 80 HA LYS 80 -3.797 -12.907 -2.916 813 1HB LYS 80 2HB LYS 80 -1.882 -13.181 -4.491 814 2HB LYS 80 3HB LYS 80 -0.945 -13.923 -3.204 815 1HG LYS 80 2HG LYS 80 -3.676 -15.033 -3.862 816 2HG LYS 80 3HG LYS 80 -2.324 -15.418 -4.914 817 1HD LYS 80 2HD LYS 80 -1.191 -16.631 -3.259 818 2HD LYS 80 3HD LYS 80 -2.002 -15.840 -1.936 819 1HE LYS 80 2HE LYS 80 -3.389 -17.722 -3.872 820 2HE LYS 80 3HE LYS 80 -2.722 -18.230 -2.332 821 1HZ LYS 80 1HZ LYS 80 -4.403 -16.030 -1.832 822 2HZ LYS 80 2HZ LYS 80 -5.254 -17.105 -2.818 823 3HZ LYS 80 3HZ LYS 80 -4.616 -17.624 -1.339 824 QB LYS 80 QB LYS 80 -1.413 -13.552 -3.847 825 QG LYS 80 QG LYS 80 -3.000 -15.225 -4.388 826 QD LYS 80 QD LYS 80 -1.597 -16.235 -2.597 827 QE LYS 80 QE LYS 80 -3.055 -17.976 -3.102 828 QZ LYS 80 QZ LYS 80 -4.758 -16.920 -1.996 829 H GLU 81 HN GLU 81 -1.117 -13.117 -0.608 830 HA GLU 81 HA GLU 81 -2.582 -15.357 0.729 831 1HB GLU 81 2HB GLU 81 -0.221 -15.530 1.931 832 2HB GLU 81 3HB GLU 81 -0.445 -16.191 0.319 833 1HG GLU 81 2HG GLU 81 0.623 -14.306 -0.711 834 2HG GLU 81 3HG GLU 81 0.551 -13.358 0.767 835 QB GLU 81 QB GLU 81 -0.333 -15.861 1.125 836 QG GLU 81 QG GLU 81 0.587 -13.832 0.028 837 H ASN 82 HN ASN 82 -1.220 -12.166 1.391 838 HA ASN 82 HA ASN 82 -1.750 -12.529 4.276 839 1HB ASN 82 2HB ASN 82 -0.771 -10.179 2.634 840 2HB ASN 82 3HB ASN 82 -1.167 -10.009 4.342 841 1HD2 ASN 82 2HD2 ASN 82 1.880 -12.653 3.508 842 2HD2 ASN 82 1HD2 ASN 82 0.496 -12.659 2.527 843 QB ASN 82 QB ASN 82 -0.969 -10.094 3.488 844 QD2 ASN 82 QD2 ASN 82 1.188 -12.656 3.018 845 H LEU 83 HN LEU 83 -3.450 -11.344 1.512 846 HA LEU 83 HA LEU 83 -5.541 -10.173 3.307 847 1HB LEU 83 2HB LEU 83 -4.777 -9.645 0.431 848 2HB LEU 83 3HB LEU 83 -6.393 -9.262 0.998 849 HG LEU 83 HG LEU 83 -4.661 -7.366 1.105 850 1HD1 LEU 83 3HD1 LEU 83 -6.106 -8.248 3.619 851 2HD1 LEU 83 1HD1 LEU 83 -5.460 -6.640 3.350 852 3HD1 LEU 83 2HD1 LEU 83 -6.758 -7.245 2.326 853 1HD2 LEU 83 2HD2 LEU 83 -2.801 -8.742 2.051 854 2HD2 LEU 83 3HD2 LEU 83 -3.212 -7.346 3.035 855 3HD2 LEU 83 1HD2 LEU 83 -3.741 -8.927 3.533 856 QB LEU 83 QB LEU 83 -5.585 -9.453 0.715 857 QD1 LEU 83 QD1 LEU 83 -6.108 -7.378 3.098 858 QD2 LEU 83 QD2 LEU 83 -3.251 -8.339 2.873 859 QQD LEU 83 QQD LEU 83 -4.680 -7.858 2.985 860 H ASP 84 HN ASP 84 -5.155 -11.899 0.333 861 HA ASP 84 HA ASP 84 -6.484 -13.341 -0.879 862 1HB ASP 84 2HB ASP 84 -5.410 -14.470 1.416 863 2HB ASP 84 3HB ASP 84 -7.079 -14.983 1.489 864 QB ASP 84 QB ASP 84 -6.245 -14.727 1.452 865 H ALA 85 HN ALA 85 -8.069 -13.372 2.182 866 HA ALA 85 HA ALA 85 -10.695 -12.865 0.826 867 1HB ALA 85 3HB ALA 85 -10.179 -14.479 3.348 868 2HB ALA 85 1HB ALA 85 -11.761 -14.178 2.638 869 3HB ALA 85 2HB ALA 85 -10.582 -15.155 1.770 870 QB ALA 85 QB ALA 85 -10.841 -14.604 2.585 Start of MODEL 9 Raw file had 870 H/Q atoms Start of MODEL 9 1 H MET 1 HN MET 1 -8.030 -3.187 8.449 2 HA MET 1 HA MET 1 -6.049 -2.724 9.460 3 1HB MET 1 2HB MET 1 -4.785 -4.014 7.005 4 2HB MET 1 3HB MET 1 -3.989 -3.723 8.544 5 1HG MET 1 2HG MET 1 -5.973 -5.120 9.534 6 2HG MET 1 3HG MET 1 -6.169 -5.691 7.898 7 1HE MET 1 3HE MET 1 -3.229 -5.692 6.926 8 2HE MET 1 1HE MET 1 -2.630 -7.309 7.280 9 3HE MET 1 2HE MET 1 -4.234 -7.105 6.573 10 QB MET 1 QB MET 1 -4.387 -3.869 7.775 11 QG MET 1 QG MET 1 -6.071 -5.405 8.716 12 QE MET 1 QE MET 1 -3.364 -6.702 6.926 13 H GLN 2 HN GLN 2 -3.580 -1.796 8.497 14 HA GLN 2 HA GLN 2 -4.408 0.674 7.110 15 1HB GLN 2 2HB GLN 2 -2.315 0.068 9.205 16 2HB GLN 2 3HB GLN 2 -2.306 1.549 8.282 17 1HG GLN 2 2HG GLN 2 -4.574 2.101 9.126 18 2HG GLN 2 3HG GLN 2 -4.587 0.593 10.044 19 1HE2 GLN 2 2HE2 GLN 2 -1.462 2.610 11.515 20 2HE2 GLN 2 1HE2 GLN 2 -1.415 1.788 10.028 21 QB GLN 2 QB GLN 2 -2.310 0.808 8.744 22 QG GLN 2 QG GLN 2 -4.580 1.347 9.585 23 QE2 GLN 2 QE2 GLN 2 -1.438 2.199 10.771 24 H THR 3 HN THR 3 -3.669 0.657 5.005 25 HA THR 3 HA THR 3 -1.016 -0.658 4.520 26 HB THR 3 HB THR 3 -3.169 0.051 2.460 27 HG1 THR 3 1HG THR 3 -4.122 -1.714 3.187 28 1HG2 THR 3 2HG2 THR 3 -0.819 -0.543 1.608 29 2HG2 THR 3 3HG2 THR 3 -0.951 -2.065 2.487 30 3HG2 THR 3 1HG2 THR 3 -2.043 -1.723 1.148 31 QG2 THR 3 QG2 THR 3 -1.271 -1.444 1.747 32 H VAL 4 HN VAL 4 0.657 0.755 4.261 33 HA VAL 4 HA VAL 4 -0.012 3.546 3.373 34 HB VAL 4 HB VAL 4 2.326 2.633 5.089 35 1HG1 VAL 4 2HG1 VAL 4 1.304 5.405 4.349 36 2HG1 VAL 4 3HG1 VAL 4 2.624 5.065 5.464 37 3HG1 VAL 4 1HG1 VAL 4 2.790 4.661 3.759 38 1HG2 VAL 4 2HG2 VAL 4 -0.232 4.079 5.875 39 2HG2 VAL 4 3HG2 VAL 4 0.183 2.426 6.306 40 3HG2 VAL 4 1HG2 VAL 4 1.130 3.763 6.947 41 QG1 VAL 4 QG1 VAL 4 2.239 5.044 4.524 42 QG2 VAL 4 QG2 VAL 4 0.360 3.422 6.376 43 QQG VAL 4 QQG VAL 4 1.300 4.233 5.450 44 H ILE 5 HN ILE 5 0.962 4.337 1.655 45 HA ILE 5 HA ILE 5 3.158 2.742 0.371 46 HB ILE 5 HB ILE 5 1.180 4.703 -0.888 47 1HG1 ILE 5 2HG1 ILE 5 0.352 2.828 -2.215 48 2HG1 ILE 5 3HG1 ILE 5 1.472 1.733 -1.425 49 1HG2 ILE 5 2HG2 ILE 5 3.470 3.104 -2.097 50 2HG2 ILE 5 3HG2 ILE 5 2.271 3.986 -3.035 51 3HG2 ILE 5 1HG2 ILE 5 3.366 4.860 -1.973 52 1HD1 ILE 5 3HD1 ILE 5 -0.710 3.268 0.037 53 2HD1 ILE 5 1HD1 ILE 5 -0.869 1.605 -0.516 54 3HD1 ILE 5 2HD1 ILE 5 0.314 2.005 0.709 55 QG1 ILE 5 QG1 ILE 5 0.912 2.281 -1.820 56 QG2 ILE 5 QG2 ILE 5 3.036 3.983 -2.368 57 QD1 ILE 5 QD1 ILE 5 -0.421 2.292 0.077 58 H PHE 6 HN PHE 6 5.095 3.702 0.449 59 HA PHE 6 HA PHE 6 5.244 6.676 0.784 60 1HB PHE 6 2HB PHE 6 7.271 4.498 1.453 61 2HB PHE 6 3HB PHE 6 7.617 6.211 1.526 62 HD1 PHE 6 1HD PHE 6 4.495 6.605 2.558 63 HD2 PHE 6 2HD PHE 6 7.929 4.471 3.909 64 HE1 PHE 6 1HE PHE 6 3.770 6.901 4.868 65 HE2 PHE 6 2HE PHE 6 7.162 4.735 6.223 66 HZ PHE 6 HZ PHE 6 5.090 5.956 6.708 67 QB PHE 6 QB PHE 6 7.444 5.355 1.490 68 QR PHE 6 QR PHE 6 5.839 5.678 4.389 69 H GLY 7 HN GLY 7 5.073 7.217 -1.285 70 1HA GLY 7 1HA GLY 7 7.127 6.127 -3.179 71 2HA GLY 7 2HA GLY 7 5.504 6.588 -3.715 72 QA GLY 7 QA GLY 7 6.315 6.358 -3.447 73 NH1 ARG 8 NH2 ARG 8 7.324 12.634 -9.669 74 NH2 ARG 8 NH1 ARG 8 9.086 13.982 -9.076 75 H ARG 8 HN ARG 8 7.061 8.035 -5.110 76 HA ARG 8 HA ARG 8 7.883 10.376 -3.487 77 1HB ARG 8 2HB ARG 8 9.098 11.182 -5.382 78 2HB ARG 8 3HB ARG 8 9.443 9.470 -5.245 79 1HG ARG 8 2HG ARG 8 8.349 8.942 -7.206 80 2HG ARG 8 3HG ARG 8 7.126 10.193 -6.999 81 1HD ARG 8 2HD ARG 8 10.022 10.892 -7.579 82 2HD ARG 8 3HD ARG 8 8.873 10.549 -8.868 83 HE ARG 8 HE ARG 8 8.209 12.724 -6.879 84 1HH1 ARG 8 2HH2 ARG 8 6.723 11.857 -9.437 85 2HH1 ARG 8 1HH2 ARG 8 7.175 13.132 -10.519 86 1HH2 ARG 8 2HH1 ARG 8 9.783 14.203 -8.392 87 2HH2 ARG 8 1HH1 ARG 8 9.017 14.523 -9.914 88 QB ARG 8 QB ARG 8 9.271 10.326 -5.314 89 QG ARG 8 QG ARG 8 7.738 9.568 -7.103 90 QD ARG 8 QD ARG 8 9.448 10.720 -8.223 91 QH1 ARG 8 QH2 ARG 8 6.949 12.494 -9.978 92 QH2 ARG 8 QH1 ARG 8 9.400 14.363 -9.153 93 H SER 9 HN SER 9 7.551 12.464 -4.539 94 HA SER 9 HA SER 9 4.887 13.267 -4.548 95 1HB SER 9 2HB SER 9 6.074 15.267 -5.938 96 2HB SER 9 3HB SER 9 6.445 14.999 -4.222 97 HG SER 9 HG SER 9 8.412 14.633 -4.919 98 QB SER 9 QB SER 9 6.259 15.133 -5.080 99 H GLY 10 HN GLY 10 3.996 11.518 -5.940 100 1HA GLY 10 1HA GLY 10 2.684 11.394 -7.981 101 2HA GLY 10 2HA GLY 10 3.860 12.455 -8.765 102 QA GLY 10 QA GLY 10 3.272 11.924 -8.373 103 H CYS 11 HN CYS 11 3.606 9.265 -7.209 104 HA CYS 11 HA CYS 11 5.745 8.304 -9.045 105 1HB CYS 11 2HB CYS 11 6.121 8.115 -6.619 106 2HB CYS 11 3HB CYS 11 4.697 7.129 -6.474 107 HG CYS 11 HG CYS 11 7.435 6.172 -7.514 108 QB CYS 11 QB CYS 11 5.409 7.622 -6.546 109 HA PRO 12 HA PRO 12 1.939 6.694 -11.128 110 1HB PRO 12 2HB PRO 12 3.660 5.326 -12.974 111 2HB PRO 12 3HB PRO 12 2.728 6.799 -13.251 112 1HG PRO 12 2HG PRO 12 5.619 6.499 -12.608 113 2HG PRO 12 3HG PRO 12 4.795 7.824 -13.437 114 1HD PRO 12 2HD PRO 12 5.740 8.040 -10.880 115 2HD PRO 12 3HD PRO 12 4.316 8.943 -11.438 116 QB PRO 12 QB PRO 12 3.194 6.063 -13.113 117 QG PRO 12 QG PRO 12 5.207 7.162 -13.023 118 QD PRO 12 QD PRO 12 5.028 8.491 -11.159 119 OH TYR 13 OH TYR 13 8.242 0.464 -13.170 120 H TYR 13 HN TYR 13 4.644 5.020 -9.732 121 HA TYR 13 HA TYR 13 3.545 2.356 -10.153 122 1HB TYR 13 2HB TYR 13 5.746 3.497 -8.452 123 2HB TYR 13 3HB TYR 13 5.151 1.880 -8.088 124 HD1 TYR 13 HD2 TYR 13 6.522 3.968 -10.895 125 HD2 TYR 13 HD1 TYR 13 5.806 0.044 -9.396 126 HE1 TYR 13 HE2 TYR 13 7.778 3.012 -12.771 127 HE2 TYR 13 HE1 TYR 13 7.073 -0.896 -11.269 128 HH TYR 13 HH TYR 13 9.175 0.570 -12.961 129 QB TYR 13 QB TYR 13 5.449 2.689 -8.270 130 QR TYR 13 QR TYR 13 6.795 1.532 -11.083 131 H CYS 14 HN CYS 14 3.485 4.692 -7.473 132 HA CYS 14 HA CYS 14 2.108 3.062 -5.573 133 1HB CYS 14 2HB CYS 14 2.952 5.139 -4.796 134 2HB CYS 14 3HB CYS 14 2.145 6.045 -6.049 135 HG CYS 14 HG CYS 14 0.961 5.283 -3.349 136 QB CYS 14 QB CYS 14 2.548 5.592 -5.423 137 H VAL 15 HN VAL 15 0.984 5.082 -8.202 138 HA VAL 15 HA VAL 15 -1.757 5.088 -7.857 139 HB VAL 15 HB VAL 15 -0.303 4.547 -10.479 140 1HG1 VAL 15 2HG1 VAL 15 -3.053 5.733 -9.914 141 2HG1 VAL 15 3HG1 VAL 15 -2.305 5.613 -11.503 142 3HG1 VAL 15 1HG1 VAL 15 -2.753 4.153 -10.631 143 1HG2 VAL 15 2HG2 VAL 15 0.509 6.563 -9.274 144 2HG2 VAL 15 3HG2 VAL 15 -0.386 7.012 -10.720 145 3HG2 VAL 15 1HG2 VAL 15 -1.144 7.145 -9.138 146 QG1 VAL 15 QG1 VAL 15 -2.704 5.166 -10.683 147 QG2 VAL 15 QG2 VAL 15 -0.340 6.907 -9.711 148 QQG VAL 15 QQG VAL 15 -1.522 6.037 -10.197 149 NH1 ARG 16 NH1 ARG 16 -4.249 -0.303 -10.983 150 NH2 ARG 16 NH2 ARG 16 -4.678 1.647 -12.057 151 H ARG 16 HN ARG 16 0.147 2.259 -8.878 152 HA ARG 16 HA ARG 16 -2.306 0.670 -9.305 153 1HB ARG 16 2HB ARG 16 0.584 -0.243 -9.242 154 2HB ARG 16 3HB ARG 16 -0.783 -1.193 -9.805 155 1HG ARG 16 2HG ARG 16 0.069 1.461 -11.040 156 2HG ARG 16 3HG ARG 16 0.565 -0.102 -11.656 157 1HD ARG 16 2HD ARG 16 -1.331 0.693 -12.969 158 2HD ARG 16 3HD ARG 16 -1.851 -0.695 -12.021 159 HE ARG 16 HE ARG 16 -2.357 1.966 -10.815 160 1HH1 ARG 16 2HH1 ARG 16 -3.596 -0.916 -10.538 161 2HH1 ARG 16 1HH1 ARG 16 -5.228 -0.546 -11.026 162 1HH2 ARG 16 2HH2 ARG 16 -4.340 2.494 -12.467 163 2HH2 ARG 16 1HH2 ARG 16 -5.663 1.424 -12.090 164 QB ARG 16 QB ARG 16 -0.100 -0.718 -9.524 165 QG ARG 16 QG ARG 16 0.317 0.679 -11.348 166 QD ARG 16 QD ARG 16 -1.591 -0.001 -12.495 167 QH1 ARG 16 QH1 ARG 16 -4.412 -0.731 -10.782 168 QH2 ARG 16 QH2 ARG 16 -5.002 1.959 -12.279 169 H ALA 17 HN ALA 17 0.338 0.745 -6.930 170 HA ALA 17 HA ALA 17 -0.593 -1.312 -5.218 171 1HB ALA 17 3HB ALA 17 1.504 0.009 -4.820 172 2HB ALA 17 1HB ALA 17 0.517 1.384 -4.343 173 3HB ALA 17 2HB ALA 17 0.500 -0.095 -3.378 174 QB ALA 17 QB ALA 17 0.840 0.432 -4.180 175 H LYS 18 HN LYS 18 -1.438 2.061 -5.412 176 HA LYS 18 HA LYS 18 -3.456 2.245 -3.451 177 1HB LYS 18 2HB LYS 18 -2.631 4.275 -4.435 178 2HB LYS 18 3HB LYS 18 -2.959 3.715 -6.062 179 1HG LYS 18 2HG LYS 18 -5.282 3.957 -4.171 180 2HG LYS 18 3HG LYS 18 -4.593 5.442 -4.804 181 1HD LYS 18 2HD LYS 18 -4.856 4.388 -7.156 182 2HD LYS 18 3HD LYS 18 -5.838 3.160 -6.374 183 1HE LYS 18 2HE LYS 18 -7.129 5.168 -5.342 184 2HE LYS 18 3HE LYS 18 -6.414 6.082 -6.652 185 1HZ LYS 18 3HZ LYS 18 -7.407 3.788 -7.858 186 2HZ LYS 18 1HZ LYS 18 -8.591 4.244 -6.710 187 3HZ LYS 18 2HZ LYS 18 -8.097 5.351 -7.897 188 QB LYS 18 QB LYS 18 -2.795 3.995 -5.249 189 QG LYS 18 QG LYS 18 -4.938 4.699 -4.487 190 QD LYS 18 QD LYS 18 -5.347 3.774 -6.765 191 QE LYS 18 QE LYS 18 -6.771 5.625 -5.997 192 QZ LYS 18 QZ LYS 18 -8.032 4.461 -7.488 193 H ASP 19 HN ASP 19 -3.914 1.836 -6.997 194 HA ASP 19 HA ASP 19 -6.653 1.303 -6.945 195 1HB ASP 19 2HB ASP 19 -4.451 0.835 -8.756 196 2HB ASP 19 3HB ASP 19 -5.527 -0.550 -8.796 197 QB ASP 19 QB ASP 19 -4.989 0.142 -8.776 198 H LEU 20 HN LEU 20 -4.114 -1.134 -6.681 199 HA LEU 20 HA LEU 20 -5.775 -3.376 -6.295 200 1HB LEU 20 2HB LEU 20 -3.328 -3.475 -6.703 201 2HB LEU 20 3HB LEU 20 -3.032 -2.824 -5.103 202 HG LEU 20 HG LEU 20 -4.106 -4.810 -4.080 203 1HD1 LEU 20 1HD1 LEU 20 -4.361 -5.764 -6.962 204 2HD1 LEU 20 2HD1 LEU 20 -4.650 -6.764 -5.542 205 3HD1 LEU 20 3HD1 LEU 20 -5.696 -5.393 -5.875 206 1HD2 LEU 20 3HD2 LEU 20 -1.966 -5.481 -6.131 207 2HD2 LEU 20 1HD2 LEU 20 -1.674 -4.832 -4.524 208 3HD2 LEU 20 2HD2 LEU 20 -2.350 -6.445 -4.710 209 QB LEU 20 QB LEU 20 -3.180 -3.150 -5.903 210 QD1 LEU 20 QD1 LEU 20 -4.903 -5.974 -6.126 211 QD2 LEU 20 QD2 LEU 20 -1.997 -5.586 -5.122 212 QQD LEU 20 QQD LEU 20 -3.450 -5.780 -5.624 213 H ALA 21 HN ALA 21 -4.125 -1.513 -3.736 214 HA ALA 21 HA ALA 21 -5.418 -2.780 -1.543 215 1HB ALA 21 1HB ALA 21 -3.439 -1.289 -1.290 216 2HB ALA 21 2HB ALA 21 -4.420 0.092 -1.749 217 3HB ALA 21 3HB ALA 21 -4.756 -0.767 -0.249 218 QB ALA 21 QB ALA 21 -4.205 -0.655 -1.096 219 H GLU 22 HN GLU 22 -6.316 0.058 -3.416 220 HA GLU 22 HA GLU 22 -8.536 0.915 -1.890 221 1HB GLU 22 2HB GLU 22 -7.523 2.158 -3.832 222 2HB GLU 22 3HB GLU 22 -8.250 0.983 -4.912 223 1HG GLU 22 2HG GLU 22 -10.480 1.611 -4.263 224 2HG GLU 22 3HG GLU 22 -9.882 2.590 -2.925 225 QB GLU 22 QB GLU 22 -7.886 1.571 -4.372 226 QG GLU 22 QG GLU 22 -10.181 2.100 -3.594 227 H LYS 23 HN LYS 23 -8.398 -1.290 -4.665 228 HA LYS 23 HA LYS 23 -11.097 -1.989 -4.804 229 1HB LYS 23 2HB LYS 23 -9.141 -2.864 -6.260 230 2HB LYS 23 3HB LYS 23 -8.872 -4.060 -5.003 231 1HG LYS 23 2HG LYS 23 -10.297 -5.106 -6.635 232 2HG LYS 23 3HG LYS 23 -11.319 -4.728 -5.258 233 1HD LYS 23 2HD LYS 23 -12.169 -2.719 -6.363 234 2HD LYS 23 3HD LYS 23 -11.022 -2.909 -7.682 235 1HE LYS 23 2HE LYS 23 -13.228 -3.707 -8.373 236 2HE LYS 23 3HE LYS 23 -12.104 -5.059 -8.292 237 1HZ LYS 23 2HZ LYS 23 -13.253 -4.810 -5.762 238 2HZ LYS 23 3HZ LYS 23 -14.520 -4.709 -6.894 239 3HZ LYS 23 1HZ LYS 23 -13.465 -6.050 -6.879 240 QB LYS 23 QB LYS 23 -9.007 -3.462 -5.631 241 QG LYS 23 QG LYS 23 -10.808 -4.917 -5.947 242 QD LYS 23 QD LYS 23 -11.595 -2.814 -7.023 243 QE LYS 23 QE LYS 23 -12.666 -4.383 -8.332 244 QZ LYS 23 QZ LYS 23 -13.746 -5.190 -6.511 245 H LEU 24 HN LEU 24 -8.618 -3.764 -2.971 246 HA LEU 24 HA LEU 24 -10.376 -5.457 -1.525 247 1HB LEU 24 2HB LEU 24 -7.870 -4.137 -0.376 248 2HB LEU 24 3HB LEU 24 -8.571 -5.658 0.133 249 HG LEU 24 HG LEU 24 -7.449 -5.146 -2.654 250 1HD1 LEU 24 1HD1 LEU 24 -5.707 -5.089 -0.887 251 2HD1 LEU 24 2HD1 LEU 24 -6.267 -6.651 -0.309 252 3HD1 LEU 24 3HD1 LEU 24 -5.560 -6.505 -1.912 253 1HD2 LEU 24 2HD2 LEU 24 -8.300 -7.710 -1.244 254 2HD2 LEU 24 3HD2 LEU 24 -9.168 -6.938 -2.570 255 3HD2 LEU 24 1HD2 LEU 24 -7.568 -7.621 -2.842 256 QB LEU 24 QB LEU 24 -8.220 -4.898 -0.122 257 QD1 LEU 24 QD1 LEU 24 -5.844 -6.082 -1.036 258 QD2 LEU 24 QD2 LEU 24 -8.345 -7.423 -2.219 259 QQD LEU 24 QQD LEU 24 -7.095 -6.752 -1.628 260 H SER 25 HN SER 25 -8.975 -2.414 -0.464 261 HA SER 25 HA SER 25 -10.128 -1.711 1.849 262 1HB SER 25 2HB SER 25 -8.697 -0.258 0.235 263 2HB SER 25 3HB SER 25 -10.222 0.216 -0.507 264 HG SER 25 HG SER 25 -10.375 0.300 2.191 265 QB SER 25 QB SER 25 -9.460 -0.021 -0.136 266 H ASN 26 HN ASN 26 -11.731 -1.372 -1.279 267 HA ASN 26 HA ASN 26 -14.286 -0.608 -0.056 268 1HB ASN 26 2HB ASN 26 -13.527 0.354 -2.228 269 2HB ASN 26 3HB ASN 26 -13.575 -1.248 -2.944 270 1HD2 ASN 26 2HD2 ASN 26 -17.346 -0.447 -1.811 271 2HD2 ASN 26 1HD2 ASN 26 -16.143 -0.821 -0.681 272 QB ASN 26 QB ASN 26 -13.551 -0.447 -2.586 273 QD2 ASN 26 QD2 ASN 26 -16.745 -0.634 -1.246 274 H GLU 27 HN GLU 27 -12.905 -3.521 -1.457 275 HA GLU 27 HA GLU 27 -15.432 -4.897 -1.791 276 1HB GLU 27 2HB GLU 27 -12.614 -5.996 -1.479 277 2HB GLU 27 3HB GLU 27 -14.005 -7.005 -1.795 278 1HG GLU 27 2HG GLU 27 -14.370 -5.534 -3.862 279 2HG GLU 27 3HG GLU 27 -12.770 -4.894 -3.570 280 QB GLU 27 QB GLU 27 -13.310 -6.501 -1.637 281 QG GLU 27 QG GLU 27 -13.570 -5.214 -3.716 282 NH1 ARG 28 NH1 ARG 28 -11.747 -10.070 1.023 283 NH2 ARG 28 NH2 ARG 28 -11.735 -9.492 -1.171 284 H ARG 28 HN ARG 28 -13.178 -4.601 0.900 285 HA ARG 28 HA ARG 28 -15.274 -5.943 2.531 286 1HB ARG 28 2HB ARG 28 -13.352 -7.022 3.865 287 2HB ARG 28 3HB ARG 28 -13.788 -7.730 2.330 288 1HG ARG 28 2HG ARG 28 -11.593 -5.665 2.524 289 2HG ARG 28 3HG ARG 28 -11.268 -7.351 2.864 290 1HD ARG 28 2HD ARG 28 -12.078 -6.081 0.268 291 2HD ARG 28 3HD ARG 28 -10.736 -7.154 0.571 292 HE ARG 28 HE ARG 28 -13.599 -8.048 0.363 293 1HH1 ARG 28 2HH1 ARG 28 -11.987 -9.855 1.967 294 2HH1 ARG 28 1HH1 ARG 28 -11.270 -10.939 0.806 295 1HH2 ARG 28 2HH2 ARG 28 -11.946 -8.833 -1.904 296 2HH2 ARG 28 1HH2 ARG 28 -11.297 -10.372 -1.403 297 QB ARG 28 QB ARG 28 -13.570 -7.376 3.097 298 QG ARG 28 QG ARG 28 -11.431 -6.508 2.694 299 QD ARG 28 QD ARG 28 -11.407 -6.617 0.420 300 QH1 ARG 28 QH1 ARG 28 -11.628 -10.397 1.386 301 QH2 ARG 28 QH2 ARG 28 -11.621 -9.603 -1.654 302 H ASP 29 HN ASP 29 -14.796 -3.134 2.367 303 HA ASP 29 HA ASP 29 -14.215 -1.276 3.760 304 1HB ASP 29 2HB ASP 29 -15.955 -3.096 5.464 305 2HB ASP 29 3HB ASP 29 -15.720 -1.380 5.766 306 QB ASP 29 QB ASP 29 -15.837 -2.238 5.615 307 H ASP 30 HN ASP 30 -11.826 -2.601 3.989 308 HA ASP 30 HA ASP 30 -11.209 -2.120 6.834 309 1HB ASP 30 2HB ASP 30 -11.823 -4.392 7.120 310 2HB ASP 30 3HB ASP 30 -11.014 -4.890 5.638 311 QB ASP 30 QB ASP 30 -11.418 -4.641 6.379 312 H PHE 31 HN PHE 31 -9.880 -3.369 3.830 313 HA PHE 31 HA PHE 31 -7.160 -2.691 4.640 314 1HB PHE 31 2HB PHE 31 -7.993 -4.629 3.123 315 2HB PHE 31 3HB PHE 31 -8.086 -3.417 1.857 316 HD1 PHE 31 2HD PHE 31 -5.709 -4.796 4.405 317 HD2 PHE 31 1HD PHE 31 -6.170 -2.908 0.613 318 HE1 PHE 31 2HE PHE 31 -3.314 -5.104 3.958 319 HE2 PHE 31 1HE PHE 31 -3.782 -3.265 0.160 320 HZ PHE 31 HZ PHE 31 -2.349 -4.318 1.845 321 QB PHE 31 QB PHE 31 -8.040 -4.023 2.490 322 QR PHE 31 QR PHE 31 -4.744 -4.018 2.284 323 H GLN 32 HN GLN 32 -7.968 -0.430 5.039 324 HA GLN 32 HA GLN 32 -8.281 1.271 2.659 325 1HB GLN 32 2HB GLN 32 -8.220 1.741 5.647 326 2HB GLN 32 3HB GLN 32 -8.094 3.100 4.540 327 1HG GLN 32 2HG GLN 32 -10.444 2.780 5.174 328 2HG GLN 32 3HG GLN 32 -10.244 2.401 3.471 329 1HE2 GLN 32 2HE2 GLN 32 -11.631 -0.431 5.960 330 2HE2 GLN 32 1HE2 GLN 32 -11.278 1.138 6.513 331 QB GLN 32 QB GLN 32 -8.157 2.421 5.093 332 QG GLN 32 QG GLN 32 -10.344 2.591 4.323 333 QE2 GLN 32 QE2 GLN 32 -11.455 0.354 6.237 334 OH TYR 33 OH TYR 33 -7.029 5.602 -2.836 335 H TYR 33 HN TYR 33 -6.735 2.775 1.955 336 HA TYR 33 HA TYR 33 -4.008 2.203 3.009 337 1HB TYR 33 2HB TYR 33 -3.177 2.406 0.723 338 2HB TYR 33 3HB TYR 33 -4.521 1.269 0.730 339 HD1 TYR 33 HD2 TYR 33 -3.466 4.667 -0.239 340 HD2 TYR 33 HD1 TYR 33 -6.688 1.871 -0.280 341 HE1 TYR 33 HE2 TYR 33 -4.683 6.084 -1.811 342 HE2 TYR 33 HE1 TYR 33 -7.899 3.309 -1.856 343 HH TYR 33 HH TYR 33 -7.778 5.107 -3.210 344 QB TYR 33 QB TYR 33 -3.849 1.838 0.727 345 QR TYR 33 QR TYR 33 -5.684 3.983 -1.047 346 H GLN 34 HN GLN 34 -2.455 3.835 2.739 347 HA GLN 34 HA GLN 34 -3.481 6.637 2.603 348 1HB GLN 34 2HB GLN 34 -1.603 5.343 4.610 349 2HB GLN 34 3HB GLN 34 -1.572 7.076 4.328 350 1HG GLN 34 2HG GLN 34 -3.051 6.807 6.167 351 2HG GLN 34 3HG GLN 34 -4.115 7.020 4.785 352 1HE2 GLN 34 2HE2 GLN 34 -5.666 3.922 5.323 353 2HE2 GLN 34 1HE2 GLN 34 -5.702 5.435 4.556 354 QB GLN 34 QB GLN 34 -1.587 6.210 4.469 355 QG GLN 34 QG GLN 34 -3.583 6.914 5.476 356 QE2 GLN 34 QE2 GLN 34 -5.684 4.678 4.939 357 OH TYR 35 OH TYR 35 3.134 8.695 -5.106 358 H TYR 35 HN TYR 35 -2.228 7.971 1.312 359 HA TYR 35 HA TYR 35 0.286 6.750 0.223 360 1HB TYR 35 2HB TYR 35 -1.507 7.092 -1.484 361 2HB TYR 35 3HB TYR 35 -1.547 8.802 -1.085 362 HD1 TYR 35 HD2 TYR 35 1.721 7.049 -1.118 363 HD2 TYR 35 HD1 TYR 35 -1.011 9.349 -3.441 364 HE1 TYR 35 HE2 TYR 35 3.447 7.406 -2.814 365 HE2 TYR 35 HE1 TYR 35 0.712 9.667 -5.140 366 HH TYR 35 HH TYR 35 3.793 9.356 -4.836 367 QB TYR 35 QB TYR 35 -1.527 7.947 -1.285 368 QR TYR 35 QR TYR 35 1.217 8.368 -3.128 369 H VAL 36 HN VAL 36 2.044 7.693 0.995 370 HA VAL 36 HA VAL 36 1.895 10.603 1.709 371 HB VAL 36 HB VAL 36 3.639 8.519 3.083 372 1HG1 VAL 36 2HG1 VAL 36 2.754 11.313 3.904 373 2HG1 VAL 36 3HG1 VAL 36 3.765 10.240 4.866 374 3HG1 VAL 36 1HG1 VAL 36 4.363 10.872 3.335 375 1HG2 VAL 36 3HG2 VAL 36 0.923 9.586 3.946 376 2HG2 VAL 36 1HG2 VAL 36 1.258 7.935 3.427 377 3HG2 VAL 36 2HG2 VAL 36 1.962 8.547 4.919 378 QG1 VAL 36 QG1 VAL 36 3.627 10.808 4.035 379 QG2 VAL 36 QG2 VAL 36 1.381 8.689 4.097 380 QQG VAL 36 QQG VAL 36 2.504 9.749 4.066 381 H ASP 37 HN ASP 37 3.723 11.819 1.152 382 HA ASP 37 HA ASP 37 5.597 10.431 -0.711 383 1HB ASP 37 2HB ASP 37 4.467 11.915 -2.121 384 2HB ASP 37 3HB ASP 37 4.288 13.136 -0.865 385 QB ASP 37 QB ASP 37 4.377 12.526 -1.493 386 H ILE 38 HN ILE 38 7.610 10.804 -0.651 387 HA ILE 38 HA ILE 38 8.934 11.430 1.749 388 HB ILE 38 HB ILE 38 10.997 11.490 0.239 389 1HG1 ILE 38 2HG1 ILE 38 8.975 10.803 -1.924 390 2HG1 ILE 38 3HG1 ILE 38 9.660 12.406 -1.753 391 1HG2 ILE 38 1HG2 ILE 38 8.993 9.210 -0.037 392 2HG2 ILE 38 2HG2 ILE 38 10.714 9.075 -0.372 393 3HG2 ILE 38 3HG2 ILE 38 10.161 9.414 1.262 394 1HD1 ILE 38 1HD1 ILE 38 11.938 11.462 -2.024 395 2HD1 ILE 38 2HD1 ILE 38 11.241 9.859 -2.238 396 3HD1 ILE 38 3HD1 ILE 38 10.922 11.122 -3.421 397 QG1 ILE 38 QG1 ILE 38 9.318 11.605 -1.839 398 QG2 ILE 38 QG2 ILE 38 9.956 9.233 0.284 399 QD1 ILE 38 QD1 ILE 38 11.367 10.814 -2.561 400 NH1 ARG 39 NH2 ARG 39 10.007 17.601 2.017 401 NH2 ARG 39 NH1 ARG 39 10.471 19.712 1.268 402 H ARG 39 HN ARG 39 8.301 13.575 -1.062 403 HA ARG 39 HA ARG 39 9.900 15.695 0.213 404 1HB ARG 39 2HB ARG 39 9.211 14.990 -2.396 405 2HB ARG 39 3HB ARG 39 8.255 16.419 -2.104 406 1HG ARG 39 2HG ARG 39 11.271 16.187 -1.715 407 2HG ARG 39 3HG ARG 39 10.491 16.944 -3.094 408 1HD ARG 39 2HD ARG 39 10.817 18.853 -1.856 409 2HD ARG 39 3HD ARG 39 9.306 18.359 -1.096 410 HE ARG 39 HE ARG 39 11.933 17.513 0.089 411 1HH1 ARG 39 2HH2 ARG 39 10.054 16.613 1.872 412 2HH1 ARG 39 1HH2 ARG 39 9.555 17.958 2.836 413 1HH2 ARG 39 2HH1 ARG 39 10.872 20.291 0.560 414 2HH2 ARG 39 1HH1 ARG 39 10.051 20.135 2.072 415 QB ARG 39 QB ARG 39 8.733 15.704 -2.250 416 QG ARG 39 QG ARG 39 10.881 16.566 -2.405 417 QD ARG 39 QD ARG 39 10.062 18.606 -1.476 418 QH1 ARG 39 QH2 ARG 39 9.805 17.286 2.354 419 QH2 ARG 39 QH1 ARG 39 10.461 20.213 1.316 420 H ALA 40 HN ALA 40 6.696 14.616 0.368 421 HA ALA 40 HA ALA 40 5.564 17.294 0.933 422 1HB ALA 40 1HB ALA 40 4.211 15.534 -0.223 423 2HB ALA 40 2HB ALA 40 4.336 14.520 1.211 424 3HB ALA 40 3HB ALA 40 3.457 16.046 1.286 425 QB ALA 40 QB ALA 40 4.001 15.367 0.758 426 H GLU 41 HN GLU 41 6.120 14.254 2.577 427 HA GLU 41 HA GLU 41 5.463 15.263 5.196 428 1HB GLU 41 2HB GLU 41 5.056 12.951 4.487 429 2HB GLU 41 3HB GLU 41 6.776 12.736 4.259 430 1HG GLU 41 2HG GLU 41 7.215 12.985 6.607 431 2HG GLU 41 3HG GLU 41 5.572 13.551 6.893 432 QB GLU 41 QB GLU 41 5.916 12.844 4.373 433 QG GLU 41 QG GLU 41 6.394 13.268 6.750 434 H GLY 42 HN GLY 42 8.435 14.590 3.399 435 1HA GLY 42 1HA GLY 42 10.495 15.816 3.841 436 2HA GLY 42 2HA GLY 42 9.939 16.101 5.492 437 QA GLY 42 QA GLY 42 10.217 15.958 4.666 438 H ILE 43 HN ILE 43 10.104 13.178 3.530 439 HA ILE 43 HA ILE 43 11.310 11.724 5.806 440 HB ILE 43 HB ILE 43 10.654 10.637 3.042 441 1HG1 ILE 43 2HG1 ILE 43 8.823 10.835 5.467 442 2HG1 ILE 43 3HG1 ILE 43 8.661 11.791 4.003 443 1HG2 ILE 43 3HG2 ILE 43 10.849 9.364 5.804 444 2HG2 ILE 43 1HG2 ILE 43 10.395 8.518 4.338 445 3HG2 ILE 43 2HG2 ILE 43 12.017 9.174 4.498 446 1HD1 ILE 43 3HD1 ILE 43 8.382 9.664 2.692 447 2HD1 ILE 43 1HD1 ILE 43 8.405 8.774 4.211 448 3HD1 ILE 43 2HD1 ILE 43 7.114 9.920 3.881 449 QG1 ILE 43 QG1 ILE 43 8.742 11.313 4.735 450 QG2 ILE 43 QG2 ILE 43 11.087 9.019 4.880 451 QD1 ILE 43 QD1 ILE 43 7.967 9.452 3.595 452 H THR 44 HN THR 44 13.366 10.762 5.682 453 HA THR 44 HA THR 44 15.136 11.970 3.596 454 HB THR 44 HB THR 44 16.891 11.985 5.285 455 HG1 THR 44 1HG THR 44 16.799 10.610 6.925 456 1HG2 THR 44 1HG2 THR 44 15.008 13.644 5.831 457 2HG2 THR 44 2HG2 THR 44 14.302 12.401 6.857 458 3HG2 THR 44 3HG2 THR 44 15.881 13.069 7.249 459 QG2 THR 44 QG2 THR 44 15.064 13.038 6.646 460 H LYS 45 HN LYS 45 17.254 10.599 3.451 461 HA LYS 45 HA LYS 45 16.514 8.045 2.259 462 1HB LYS 45 2HB LYS 45 19.196 9.338 2.967 463 2HB LYS 45 3HB LYS 45 19.066 7.808 2.114 464 1HG LYS 45 2HG LYS 45 17.388 9.958 0.964 465 2HG LYS 45 3HG LYS 45 19.112 10.308 0.911 466 1HD LYS 45 2HD LYS 45 19.538 8.634 -0.592 467 2HD LYS 45 3HD LYS 45 18.393 7.530 0.157 468 1HE LYS 45 2HE LYS 45 16.516 8.805 -0.857 469 2HE LYS 45 3HE LYS 45 17.679 9.869 -1.643 470 1HZ LYS 45 3HZ LYS 45 18.373 7.194 -2.182 471 2HZ LYS 45 1HZ LYS 45 16.715 7.393 -2.511 472 3HZ LYS 45 2HZ LYS 45 17.872 8.395 -3.277 473 QB LYS 45 QB LYS 45 19.131 8.573 2.540 474 QG LYS 45 QG LYS 45 18.250 10.133 0.937 475 QD LYS 45 QD LYS 45 18.965 8.082 -0.218 476 QE LYS 45 QE LYS 45 17.098 9.337 -1.250 477 QZ LYS 45 QZ LYS 45 17.653 7.661 -2.657 478 H GLU 46 HN GLU 46 18.599 8.932 4.958 479 HA GLU 46 HA GLU 46 18.990 6.473 6.159 480 1HB GLU 46 2HB GLU 46 18.323 8.763 7.990 481 2HB GLU 46 3HB GLU 46 19.688 7.663 8.047 482 1HG GLU 46 2HG GLU 46 20.715 9.667 7.371 483 2HG GLU 46 3HG GLU 46 20.435 8.885 5.823 484 QB GLU 46 QB GLU 46 19.005 8.213 8.018 485 QG GLU 46 QG GLU 46 20.575 9.276 6.597 486 H ASP 47 HN ASP 47 16.219 8.677 6.698 487 HA ASP 47 HA ASP 47 14.891 6.946 8.565 488 1HB ASP 47 2HB ASP 47 14.343 9.368 8.291 489 2HB ASP 47 3HB ASP 47 13.641 9.014 6.718 490 QB ASP 47 QB ASP 47 13.992 9.191 7.504 491 H LEU 48 HN LEU 48 14.181 7.506 5.080 492 HA LEU 48 HA LEU 48 12.208 5.474 4.903 493 1HB LEU 48 2HB LEU 48 13.646 7.191 3.088 494 2HB LEU 48 3HB LEU 48 13.643 5.578 2.410 495 HG LEU 48 HG LEU 48 11.211 7.102 3.396 496 1HD1 LEU 48 2HD1 LEU 48 12.144 7.967 1.283 497 2HD1 LEU 48 3HD1 LEU 48 12.062 6.349 0.591 498 3HD1 LEU 48 1HD1 LEU 48 10.579 7.198 1.024 499 1HD2 LEU 48 2HD2 LEU 48 11.390 4.402 2.029 500 2HD2 LEU 48 3HD2 LEU 48 10.897 4.672 3.690 501 3HD2 LEU 48 1HD2 LEU 48 9.897 5.258 2.368 502 QB LEU 48 QB LEU 48 13.645 6.384 2.749 503 QD1 LEU 48 QD1 LEU 48 11.595 7.171 0.966 504 QD2 LEU 48 QD2 LEU 48 10.728 4.777 2.695 505 QQD LEU 48 QQD LEU 48 11.162 5.974 1.831 506 H GLN 49 HN GLN 49 15.716 5.243 4.528 507 HA GLN 49 HA GLN 49 15.739 2.509 3.678 508 1HB GLN 49 2HB GLN 49 17.716 4.230 3.786 509 2HB GLN 49 3HB GLN 49 17.883 3.704 5.459 510 1HG GLN 49 2HG GLN 49 18.157 1.376 4.742 511 2HG GLN 49 3HG GLN 49 17.843 1.823 3.068 512 1HE2 GLN 49 2HE2 GLN 49 21.096 3.060 2.505 513 2HE2 GLN 49 1HE2 GLN 49 19.513 2.926 1.898 514 QB GLN 49 QB GLN 49 17.800 3.967 4.622 515 QG GLN 49 QG GLN 49 18.000 1.599 3.905 516 QE2 GLN 49 QE2 GLN 49 20.304 2.993 2.201 517 H GLN 50 HN GLN 50 15.898 4.101 6.830 518 HA GLN 50 HA GLN 50 16.011 1.832 8.494 519 1HB GLN 50 2HB GLN 50 16.140 4.288 9.168 520 2HB GLN 50 3HB GLN 50 14.393 4.349 9.044 521 1HG GLN 50 2HG GLN 50 14.175 2.579 10.731 522 2HG GLN 50 3HG GLN 50 15.924 2.446 10.849 523 1HE2 GLN 50 2HE2 GLN 50 15.253 6.188 12.022 524 2HE2 GLN 50 1HE2 GLN 50 15.386 5.706 10.402 525 QB GLN 50 QB GLN 50 15.266 4.318 9.106 526 QG GLN 50 QG GLN 50 15.050 2.512 10.790 527 QE2 GLN 50 QE2 GLN 50 15.320 5.947 11.212 528 H LYS 51 HN LYS 51 13.270 3.453 7.023 529 HA LYS 51 HA LYS 51 11.199 1.835 8.138 530 1HB LYS 51 2HB LYS 51 11.290 3.261 5.448 531 2HB LYS 51 3HB LYS 51 9.834 2.688 6.221 532 1HG LYS 51 2HG LYS 51 11.712 4.690 7.500 533 2HG LYS 51 3HG LYS 51 10.302 5.154 6.573 534 1HD LYS 51 2HD LYS 51 8.893 3.795 8.151 535 2HD LYS 51 3HD LYS 51 10.329 3.477 9.114 536 1HE LYS 51 2HE LYS 51 9.203 6.229 8.495 537 2HE LYS 51 3HE LYS 51 9.021 5.379 10.022 538 1HZ LYS 51 3HZ LYS 51 11.769 5.514 9.300 539 2HZ LYS 51 1HZ LYS 51 11.077 7.059 9.240 540 3HZ LYS 51 2HZ LYS 51 10.993 6.153 10.676 541 QB LYS 51 QB LYS 51 10.562 2.975 5.834 542 QG LYS 51 QG LYS 51 11.007 4.922 7.036 543 QD LYS 51 QD LYS 51 9.611 3.636 8.632 544 QE LYS 51 QE LYS 51 9.112 5.804 9.259 545 QZ LYS 51 QZ LYS 51 11.279 6.242 9.739 546 H ALA 52 HN ALA 52 12.773 1.541 4.955 547 HA ALA 52 HA ALA 52 11.418 -0.891 4.247 548 1HB ALA 52 2HB ALA 52 12.436 0.576 2.572 549 2HB ALA 52 3HB ALA 52 14.043 0.213 3.199 550 3HB ALA 52 1HB ALA 52 13.083 -1.053 2.438 551 QB ALA 52 QB ALA 52 13.187 -0.088 2.736 552 H GLY 53 HN GLY 53 14.734 -0.432 5.559 553 1HA GLY 53 1HA GLY 53 15.307 -2.190 7.307 554 2HA GLY 53 2HA GLY 53 14.708 -3.376 6.161 555 QA GLY 53 QA GLY 53 15.008 -2.783 6.734 556 H LYS 54 HN LYS 54 15.869 -2.500 3.826 557 HA LYS 54 HA LYS 54 18.776 -2.929 4.422 558 1HB LYS 54 2HB LYS 54 17.135 -3.677 1.964 559 2HB LYS 54 3HB LYS 54 18.873 -3.880 2.091 560 1HG LYS 54 2HG LYS 54 18.660 -5.533 3.809 561 2HG LYS 54 3HG LYS 54 16.987 -5.102 4.127 562 1HD LYS 54 2HD LYS 54 17.038 -7.190 2.861 563 2HD LYS 54 3HD LYS 54 16.368 -5.921 1.844 564 1HE LYS 54 2HE LYS 54 18.558 -5.618 0.745 565 2HE LYS 54 3HE LYS 54 19.267 -6.849 1.784 566 1HZ LYS 54 3HZ LYS 54 16.976 -7.932 0.558 567 2HZ LYS 54 1HZ LYS 54 17.924 -7.198 -0.646 568 3HZ LYS 54 2HZ LYS 54 18.597 -8.386 0.357 569 QB LYS 54 QB LYS 54 18.004 -3.778 2.028 570 QG LYS 54 QG LYS 54 17.823 -5.317 3.968 571 QD LYS 54 QD LYS 54 16.703 -6.556 2.352 572 QE LYS 54 QE LYS 54 18.912 -6.233 1.264 573 QZ LYS 54 QZ LYS 54 17.832 -7.838 0.090 574 HA PRO 55 HA PRO 55 19.645 0.441 1.291 575 1HB PRO 55 2HB PRO 55 21.259 -1.800 0.123 576 2HB PRO 55 3HB PRO 55 21.697 -0.103 0.358 577 1HG PRO 55 2HG PRO 55 22.649 -2.069 1.998 578 2HG PRO 55 3HG PRO 55 22.326 -0.436 2.593 579 1HD PRO 55 2HD PRO 55 20.757 -2.948 3.035 580 2HD PRO 55 3HD PRO 55 20.873 -1.503 4.061 581 QB PRO 55 QB PRO 55 21.478 -0.952 0.240 582 QG PRO 55 QG PRO 55 22.488 -1.252 2.296 583 QD PRO 55 QD PRO 55 20.815 -2.225 3.548 584 H VAL 56 HN VAL 56 17.277 -0.274 1.083 585 HA VAL 56 HA VAL 56 16.890 -1.292 -1.673 586 HB VAL 56 HB VAL 56 16.661 -3.216 -0.120 587 1HG1 VAL 56 2HG1 VAL 56 15.814 -1.906 1.806 588 2HG1 VAL 56 3HG1 VAL 56 14.301 -1.655 0.952 589 3HG1 VAL 56 1HG1 VAL 56 14.775 -3.278 1.432 590 1HG2 VAL 56 3HG2 VAL 56 15.410 -3.176 -2.250 591 2HG2 VAL 56 1HG2 VAL 56 14.483 -3.995 -0.998 592 3HG2 VAL 56 2HG2 VAL 56 14.071 -2.351 -1.463 593 QG1 VAL 56 QG1 VAL 56 14.963 -2.280 1.397 594 QG2 VAL 56 QG2 VAL 56 14.655 -3.174 -1.570 595 QQG VAL 56 QQG VAL 56 14.809 -2.727 -0.087 596 H GLU 57 HN GLU 57 16.900 1.296 -0.993 597 HA GLU 57 HA GLU 57 14.199 2.218 -0.308 598 1HB GLU 57 2HB GLU 57 16.335 3.464 0.353 599 2HB GLU 57 3HB GLU 57 16.506 3.898 -1.344 600 1HG GLU 57 2HG GLU 57 14.011 4.731 -1.102 601 2HG GLU 57 3HG GLU 57 14.383 4.757 0.621 602 QB GLU 57 QB GLU 57 16.420 3.681 -0.495 603 QG GLU 57 QG GLU 57 14.197 4.744 -0.241 604 H THR 58 HN THR 58 13.402 0.913 -2.141 605 HA THR 58 HA THR 58 13.677 2.287 -4.767 606 HB THR 58 HB THR 58 12.444 0.152 -5.554 607 HG1 THR 58 1HG THR 58 11.506 -0.166 -3.466 608 1HG2 THR 58 3HG2 THR 58 15.009 0.233 -5.469 609 2HG2 THR 58 1HG2 THR 58 14.912 -0.396 -3.826 610 3HG2 THR 58 2HG2 THR 58 14.349 -1.374 -5.178 611 QG2 THR 58 QG2 THR 58 14.757 -0.512 -4.824 612 H VAL 59 HN VAL 59 12.251 4.051 -4.633 613 HA VAL 59 HA VAL 59 9.670 3.736 -3.356 614 HB VAL 59 HB VAL 59 9.137 5.977 -4.494 615 1HG1 VAL 59 2HG1 VAL 59 11.647 5.756 -2.796 616 2HG1 VAL 59 3HG1 VAL 59 10.677 7.211 -2.993 617 3HG1 VAL 59 1HG1 VAL 59 9.998 5.802 -2.185 618 1HG2 VAL 59 3HG2 VAL 59 10.726 5.703 -6.397 619 2HG2 VAL 59 1HG2 VAL 59 11.042 7.176 -5.486 620 3HG2 VAL 59 2HG2 VAL 59 12.072 5.772 -5.265 621 QG1 VAL 59 QG1 VAL 59 10.774 6.256 -2.658 622 QG2 VAL 59 QG2 VAL 59 11.280 6.217 -5.716 623 QQG VAL 59 QQG VAL 59 11.027 6.237 -4.187 624 HA PRO 60 HA PRO 60 7.765 4.306 -3.393 625 1HB PRO 60 2HB PRO 60 5.266 3.070 -3.592 626 2HB PRO 60 3HB PRO 60 5.647 4.663 -4.235 627 1HG PRO 60 2HG PRO 60 5.068 2.234 -5.712 628 2HG PRO 60 3HG PRO 60 5.352 3.854 -6.352 629 1HD PRO 60 2HD PRO 60 7.215 1.556 -6.209 630 2HD PRO 60 3HD PRO 60 7.366 3.048 -7.164 631 QB PRO 60 QB PRO 60 5.456 3.867 -3.913 632 QG PRO 60 QG PRO 60 5.210 3.044 -6.032 633 QD PRO 60 QD PRO 60 7.291 2.302 -6.687 634 H GLN 61 HN GLN 61 7.879 3.337 -1.344 635 HA GLN 61 HA GLN 61 8.040 0.338 -1.343 636 1HB GLN 61 2HB GLN 61 8.810 2.348 0.810 637 2HB GLN 61 3HB GLN 61 8.850 0.607 1.034 638 1HG GLN 61 2HG GLN 61 11.016 0.774 0.318 639 2HG GLN 61 3HG GLN 61 10.306 0.889 -1.291 640 1HE2 GLN 61 2HE2 GLN 61 12.330 4.030 0.059 641 2HE2 GLN 61 1HE2 GLN 61 12.403 2.497 0.799 642 QB GLN 61 QB GLN 61 8.830 1.478 0.922 643 QG GLN 61 QG GLN 61 10.661 0.832 -0.487 644 QE2 GLN 61 QE2 GLN 61 12.367 3.264 0.429 645 H ILE 62 HN ILE 62 6.578 -0.845 -0.129 646 HA ILE 62 HA ILE 62 4.300 0.748 0.984 647 HB ILE 62 HB ILE 62 4.258 -2.019 -0.289 648 1HG1 ILE 62 2HG1 ILE 62 2.504 -0.736 -1.748 649 2HG1 ILE 62 3HG1 ILE 62 3.255 0.718 -1.110 650 1HG2 ILE 62 3HG2 ILE 62 2.024 -0.416 1.022 651 2HG2 ILE 62 1HG2 ILE 62 1.796 -1.910 0.123 652 3HG2 ILE 62 2HG2 ILE 62 2.702 -1.924 1.629 653 1HD1 ILE 62 1HD1 ILE 62 4.713 -1.498 -2.574 654 2HD1 ILE 62 2HD1 ILE 62 4.261 0.058 -3.268 655 3HD1 ILE 62 3HD1 ILE 62 5.445 -0.017 -1.978 656 QG1 ILE 62 QG1 ILE 62 2.880 -0.009 -1.429 657 QG2 ILE 62 QG2 ILE 62 2.174 -1.417 0.925 658 QD1 ILE 62 QD1 ILE 62 4.806 -0.486 -2.607 659 H PHE 63 HN PHE 63 3.486 0.224 2.839 660 HA PHE 63 HA PHE 63 4.817 -1.868 4.510 661 1HB PHE 63 2HB PHE 63 4.090 0.980 5.324 662 2HB PHE 63 3HB PHE 63 4.713 -0.258 6.419 663 HD1 PHE 63 1HD PHE 63 7.040 -1.035 6.223 664 HD2 PHE 63 2HD PHE 63 5.548 2.008 3.644 665 HE1 PHE 63 1HE PHE 63 9.313 -0.596 5.424 666 HE2 PHE 63 2HE PHE 63 7.819 2.445 2.852 667 HZ PHE 63 HZ PHE 63 9.717 1.174 3.757 668 QB PHE 63 QB PHE 63 4.402 0.361 5.872 669 QR PHE 63 QR PHE 63 7.430 0.705 4.536 670 H VAL 64 HN VAL 64 3.479 -2.818 6.021 671 HA VAL 64 HA VAL 64 0.541 -2.228 5.763 672 HB VAL 64 HB VAL 64 2.004 -4.901 6.017 673 1HG1 VAL 64 1HG1 VAL 64 -0.994 -4.370 6.048 674 2HG1 VAL 64 2HG1 VAL 64 -0.240 -5.957 5.972 675 3HG1 VAL 64 3HG1 VAL 64 -0.041 -4.963 7.407 676 1HG2 VAL 64 3HG2 VAL 64 1.873 -3.896 3.740 677 2HG2 VAL 64 1HG2 VAL 64 0.922 -5.372 3.852 678 3HG2 VAL 64 2HG2 VAL 64 0.124 -3.803 3.890 679 QG1 VAL 64 QG1 VAL 64 -0.425 -5.097 6.475 680 QG2 VAL 64 QG2 VAL 64 0.973 -4.357 3.827 681 QQG VAL 64 QQG VAL 64 0.274 -4.727 5.151 682 H ASP 65 HN ASP 65 -0.158 -1.455 7.659 683 HA ASP 65 HA ASP 65 -0.303 -1.020 9.950 684 1HB ASP 65 2HB ASP 65 1.176 -3.653 10.316 685 2HB ASP 65 3HB ASP 65 0.084 -2.878 11.452 686 QB ASP 65 QB ASP 65 0.630 -3.265 10.884 687 H GLN 66 HN GLN 66 2.628 -2.794 10.254 688 HA GLN 66 HA GLN 66 4.299 -0.375 10.195 689 1HB GLN 66 2HB GLN 66 5.335 -0.829 12.384 690 2HB GLN 66 3HB GLN 66 3.609 -0.558 12.568 691 1HG GLN 66 2HG GLN 66 3.254 -3.037 12.618 692 2HG GLN 66 3HG GLN 66 4.998 -3.264 12.517 693 1HE2 GLN 66 2HE2 GLN 66 3.364 -2.504 16.088 694 2HE2 GLN 66 1HE2 GLN 66 2.440 -2.884 14.716 695 QB GLN 66 QB GLN 66 4.472 -0.694 12.476 696 QG GLN 66 QG GLN 66 4.126 -3.150 12.567 697 QE2 GLN 66 QE2 GLN 66 2.902 -2.694 15.402 698 H GLN 67 HN GLN 67 3.799 -3.320 9.092 699 HA GLN 67 HA GLN 67 6.516 -4.422 9.244 700 1HB GLN 67 2HB GLN 67 4.195 -5.501 7.608 701 2HB GLN 67 3HB GLN 67 5.520 -6.381 8.324 702 1HG GLN 67 2HG GLN 67 4.585 -5.961 10.593 703 2HG GLN 67 3HG GLN 67 3.237 -5.102 9.858 704 1HE2 GLN 67 2HE2 GLN 67 1.447 -8.119 9.420 705 2HE2 GLN 67 1HE2 GLN 67 1.385 -6.441 9.694 706 QB GLN 67 QB GLN 67 4.857 -5.941 7.966 707 QG GLN 67 QG GLN 67 3.911 -5.532 10.226 708 QE2 GLN 67 QE2 GLN 67 1.416 -7.280 9.557 709 H HIS 68 HN HIS 68 7.540 -5.026 7.120 710 HA HIS 68 HA HIS 68 6.959 -2.935 5.051 711 1HB HIS 68 2HB HIS 68 9.222 -2.838 6.071 712 2HB HIS 68 3HB HIS 68 9.501 -4.493 5.598 713 HD1 HIS 68 HD1 HIS 68 11.478 -3.708 4.154 714 HD2 HIS 68 HD2 HIS 68 7.955 -1.996 2.931 715 HE1 HIS 68 HE1 HIS 68 11.804 -3.018 1.748 716 QB HIS 68 QB HIS 68 9.361 -3.666 5.835 717 H ILE 69 HN ILE 69 6.492 -3.607 2.985 718 HA ILE 69 HA ILE 69 6.354 -6.569 2.577 719 HB ILE 69 HB ILE 69 4.957 -4.415 0.954 720 1HG1 ILE 69 2HG1 ILE 69 4.183 -4.176 3.259 721 2HG1 ILE 69 3HG1 ILE 69 2.929 -4.937 2.291 722 1HG2 ILE 69 3HG2 ILE 69 4.520 -7.399 1.307 723 2HG2 ILE 69 1HG2 ILE 69 3.452 -6.342 0.398 724 3HG2 ILE 69 2HG2 ILE 69 5.107 -6.591 -0.141 725 1HD1 ILE 69 3HD1 ILE 69 4.865 -6.421 4.113 726 2HD1 ILE 69 1HD1 ILE 69 3.180 -6.078 4.478 727 3HD1 ILE 69 2HD1 ILE 69 3.588 -7.159 3.158 728 QG1 ILE 69 QG1 ILE 69 3.556 -4.557 2.775 729 QG2 ILE 69 QG2 ILE 69 4.359 -6.777 0.522 730 QD1 ILE 69 QD1 ILE 69 3.878 -6.553 3.916 731 H GLY 70 HN GLY 70 7.241 -3.547 1.041 732 1HA GLY 70 1HA GLY 70 9.581 -3.775 -0.078 733 2HA GLY 70 2HA GLY 70 8.819 -5.060 -1.007 734 QA GLY 70 QA GLY 70 9.200 -4.417 -0.543 735 H GLY 71 HN GLY 71 8.582 -4.223 -3.040 736 1HA GLY 71 1HA GLY 71 7.561 -1.412 -3.286 737 2HA GLY 71 2HA GLY 71 8.404 -2.296 -4.557 738 QA GLY 71 QA GLY 71 7.982 -1.854 -3.921 739 OH TYR 72 OH TYR 72 -0.926 -3.991 -8.745 740 H TYR 72 HN TYR 72 6.141 -1.269 -5.460 741 HA TYR 72 HA TYR 72 3.680 -2.456 -4.988 742 1HB TYR 72 2HB TYR 72 3.918 -0.715 -6.707 743 2HB TYR 72 3HB TYR 72 4.772 -1.847 -7.761 744 HD1 TYR 72 HD2 TYR 72 1.672 -1.976 -5.638 745 HD2 TYR 72 HD1 TYR 72 3.363 -2.687 -9.477 746 HE1 TYR 72 HE2 TYR 72 -0.436 -3.008 -6.372 747 HE2 TYR 72 HE1 TYR 72 1.262 -3.731 -10.200 748 HH TYR 72 HH TYR 72 -1.265 -4.524 -8.014 749 QB TYR 72 QB TYR 72 4.345 -1.281 -7.234 750 QR TYR 72 QR TYR 72 1.465 -2.850 -7.922 751 H THR 73 HN THR 73 6.359 -3.884 -6.791 752 HA THR 73 HA THR 73 5.076 -6.160 -7.863 753 HB THR 73 HB THR 73 7.493 -7.188 -7.505 754 HG1 THR 73 1HG THR 73 8.474 -5.978 -5.998 755 1HG2 THR 73 1HG2 THR 73 7.271 -4.427 -8.808 756 2HG2 THR 73 2HG2 THR 73 8.483 -5.649 -9.174 757 3HG2 THR 73 3HG2 THR 73 6.799 -5.919 -9.615 758 QG2 THR 73 QG2 THR 73 7.517 -5.332 -9.199 759 H ASP 74 HN ASP 74 6.987 -6.032 -4.891 760 HA ASP 74 HA ASP 74 6.161 -8.545 -3.865 761 1HB ASP 74 2HB ASP 74 6.804 -6.126 -2.144 762 2HB ASP 74 3HB ASP 74 7.068 -7.824 -1.757 763 QB ASP 74 QB ASP 74 6.936 -6.975 -1.950 764 H PHE 75 HN PHE 75 4.909 -5.302 -3.313 765 HA PHE 75 HA PHE 75 2.876 -5.831 -1.494 766 1HB PHE 75 2HB PHE 75 3.399 -3.566 -2.316 767 2HB PHE 75 3HB PHE 75 2.716 -3.970 -3.887 768 HD1 PHE 75 2HD PHE 75 1.664 -4.387 -0.301 769 HD2 PHE 75 1HD PHE 75 0.566 -3.108 -4.206 770 HE1 PHE 75 2HE PHE 75 -0.557 -3.779 0.530 771 HE2 PHE 75 1HE PHE 75 -1.650 -2.471 -3.370 772 HZ PHE 75 HZ PHE 75 -2.208 -2.810 -1.006 773 QB PHE 75 QB PHE 75 3.058 -3.768 -3.101 774 QR PHE 75 QR PHE 75 0.006 -3.436 -1.837 775 H ALA 76 HN ALA 76 2.567 -6.076 -5.052 776 HA ALA 76 HA ALA 76 -0.115 -7.012 -5.043 777 1HB ALA 76 2HB ALA 76 1.064 -6.355 -7.120 778 2HB ALA 76 3HB ALA 76 2.109 -7.762 -6.975 779 3HB ALA 76 1HB ALA 76 0.386 -7.973 -7.275 780 QB ALA 76 QB ALA 76 1.186 -7.364 -7.123 781 H ALA 77 HN ALA 77 2.909 -8.909 -5.120 782 HA ALA 77 HA ALA 77 1.732 -11.482 -4.965 783 1HB ALA 77 3HB ALA 77 4.317 -10.557 -3.647 784 2HB ALA 77 1HB ALA 77 3.871 -12.236 -3.951 785 3HB ALA 77 2HB ALA 77 4.162 -11.144 -5.300 786 QB ALA 77 QB ALA 77 4.117 -11.312 -4.299 787 CH2 TRP 78 CH2 TRP 78 -1.224 -7.261 3.743 788 H TRP 78 HN TRP 78 2.900 -9.479 -2.302 789 HA TRP 78 HA TRP 78 2.132 -11.079 -0.112 790 1HB TRP 78 2HB TRP 78 3.404 -8.956 0.085 791 2HB TRP 78 3HB TRP 78 1.978 -8.065 -0.344 792 HD1 TRP 78 HD1 TRP 78 3.464 -10.024 2.652 793 HE1 TRP 78 HE1 TRP 78 2.142 -9.517 4.719 794 HE3 TRP 78 HE3 TRP 78 -0.145 -7.331 0.527 795 HZ2 TRP 78 HZ2 TRP 78 -0.238 -8.124 5.419 796 HZ3 TRP 78 HZ3 TRP 78 -2.009 -6.492 1.913 797 HH2 TRP 78 HH2 TRP 78 -2.039 -6.873 4.337 798 QB TRP 78 QB TRP 78 2.691 -8.510 -0.129 799 H VAL 79 HN VAL 79 0.303 -8.427 -1.611 800 HA VAL 79 HA VAL 79 -2.109 -8.667 -0.241 801 HB VAL 79 HB VAL 79 -1.524 -8.000 -3.149 802 1HG1 VAL 79 2HG1 VAL 79 -4.194 -7.902 -1.701 803 2HG1 VAL 79 3HG1 VAL 79 -3.885 -7.142 -3.258 804 3HG1 VAL 79 1HG1 VAL 79 -3.811 -8.891 -3.101 805 1HG2 VAL 79 3HG2 VAL 79 -0.783 -6.370 -1.432 806 2HG2 VAL 79 1HG2 VAL 79 -2.087 -5.704 -2.405 807 3HG2 VAL 79 2HG2 VAL 79 -2.414 -6.308 -0.784 808 QG1 VAL 79 QG1 VAL 79 -3.963 -7.978 -2.687 809 QG2 VAL 79 QG2 VAL 79 -1.762 -6.128 -1.541 810 QQG VAL 79 QQG VAL 79 -2.862 -7.053 -2.114 811 H LYS 80 HN LYS 80 -1.146 -10.354 -3.199 812 HA LYS 80 HA LYS 80 -3.460 -11.950 -3.442 813 1HB LYS 80 2HB LYS 80 -1.575 -11.619 -5.125 814 2HB LYS 80 3HB LYS 80 -0.665 -12.826 -4.236 815 1HG LYS 80 2HG LYS 80 -3.318 -13.861 -4.702 816 2HG LYS 80 3HG LYS 80 -2.713 -13.221 -6.217 817 1HD LYS 80 2HD LYS 80 -2.038 -15.537 -6.111 818 2HD LYS 80 3HD LYS 80 -0.600 -14.558 -5.885 819 1HE LYS 80 2HE LYS 80 -0.725 -16.467 -4.278 820 2HE LYS 80 3HE LYS 80 -0.668 -14.914 -3.469 821 1HZ LYS 80 3HZ LYS 80 -3.369 -15.594 -3.993 822 2HZ LYS 80 1HZ LYS 80 -2.638 -16.903 -3.215 823 3HZ LYS 80 2HZ LYS 80 -2.621 -15.366 -2.502 824 QB LYS 80 QB LYS 80 -1.120 -12.223 -4.681 825 QG LYS 80 QG LYS 80 -3.016 -13.541 -5.459 826 QD LYS 80 QD LYS 80 -1.319 -15.048 -5.998 827 QE LYS 80 QE LYS 80 -0.697 -15.690 -3.873 828 QZ LYS 80 QZ LYS 80 -2.876 -15.955 -3.237 829 H GLU 81 HN GLU 81 -0.362 -12.973 -1.904 830 HA GLU 81 HA GLU 81 -1.533 -15.540 -1.130 831 1HB GLU 81 2HB GLU 81 0.627 -15.669 0.322 832 2HB GLU 81 3HB GLU 81 0.764 -15.736 -1.422 833 1HG GLU 81 2HG GLU 81 1.655 -13.588 -1.578 834 2HG GLU 81 3HG GLU 81 0.948 -13.064 -0.056 835 QB GLU 81 QB GLU 81 0.696 -15.702 -0.550 836 QG GLU 81 QG GLU 81 1.301 -13.326 -0.817 837 H ASN 82 HN ASN 82 -1.210 -12.501 0.572 838 HA ASN 82 HA ASN 82 -2.015 -13.833 3.090 839 1HB ASN 82 2HB ASN 82 -1.386 -10.943 2.398 840 2HB ASN 82 3HB ASN 82 -1.896 -11.470 4.005 841 1HD2 ASN 82 2HD2 ASN 82 1.758 -12.686 2.549 842 2HD2 ASN 82 1HD2 ASN 82 0.576 -12.061 1.501 843 QB ASN 82 QB ASN 82 -1.641 -11.207 3.201 844 QD2 ASN 82 QD2 ASN 82 1.167 -12.373 2.025 845 H LEU 83 HN LEU 83 -3.361 -11.843 0.578 846 HA LEU 83 HA LEU 83 -6.040 -12.002 1.912 847 1HB LEU 83 2HB LEU 83 -5.242 -10.081 -0.246 848 2HB LEU 83 3HB LEU 83 -6.620 -9.946 0.834 849 HG LEU 83 HG LEU 83 -3.686 -9.660 1.613 850 1HD1 LEU 83 1HD1 LEU 83 -5.967 -7.650 1.547 851 2HD1 LEU 83 2HD1 LEU 83 -4.334 -7.323 2.121 852 3HD1 LEU 83 3HD1 LEU 83 -4.607 -7.707 0.427 853 1HD2 LEU 83 1HD2 LEU 83 -6.192 -9.434 3.327 854 2HD2 LEU 83 2HD2 LEU 83 -4.976 -10.699 3.449 855 3HD2 LEU 83 3HD2 LEU 83 -4.561 -9.043 3.858 856 QB LEU 83 QB LEU 83 -5.931 -10.013 0.294 857 QD1 LEU 83 QD1 LEU 83 -4.969 -7.560 1.365 858 QD2 LEU 83 QD2 LEU 83 -5.243 -9.725 3.545 859 QQD LEU 83 QQD LEU 83 -5.106 -8.642 2.455 860 H ASP 84 HN ASP 84 -5.227 -14.130 0.653 861 HA ASP 84 HA ASP 84 -5.926 -14.177 -2.166 862 1HB ASP 84 2HB ASP 84 -4.421 -15.802 -0.551 863 2HB ASP 84 3HB ASP 84 -5.902 -16.732 -0.609 864 QB ASP 84 QB ASP 84 -5.161 -16.267 -0.580 865 H ALA 85 HN ALA 85 -7.965 -12.992 -0.944 866 HA ALA 85 HA ALA 85 -10.327 -14.043 -1.825 867 1HB ALA 85 3HB ALA 85 -9.896 -14.977 1.041 868 2HB ALA 85 1HB ALA 85 -11.434 -15.023 0.189 869 3HB ALA 85 2HB ALA 85 -10.098 -16.021 -0.363 870 QB ALA 85 QB ALA 85 -10.476 -15.340 0.289 Start of MODEL 10 Raw file had 870 H/Q atoms Start of MODEL 10 1 H MET 1 HN MET 1 -6.048 -4.706 6.752 2 HA MET 1 HA MET 1 -5.614 -2.994 8.962 3 1HB MET 1 2HB MET 1 -3.563 -4.048 6.968 4 2HB MET 1 3HB MET 1 -3.234 -3.461 8.584 5 1HG MET 1 2HG MET 1 -4.795 -5.253 9.456 6 2HG MET 1 3HG MET 1 -4.788 -5.935 7.850 7 1HE MET 1 1HE MET 1 -2.063 -5.874 6.746 8 2HE MET 1 2HE MET 1 -1.303 -7.334 7.365 9 3HE MET 1 3HE MET 1 -2.979 -7.382 6.837 10 QB MET 1 QB MET 1 -3.398 -3.755 7.776 11 QG MET 1 QG MET 1 -4.791 -5.594 8.653 12 QE MET 1 QE MET 1 -2.115 -6.863 6.983 13 H GLN 2 HN GLN 2 -3.418 -1.344 8.435 14 HA GLN 2 HA GLN 2 -4.566 0.615 6.577 15 1HB GLN 2 2HB GLN 2 -4.331 1.207 9.054 16 2HB GLN 2 3HB GLN 2 -2.584 1.053 8.846 17 1HG GLN 2 2HG GLN 2 -2.714 2.728 6.990 18 2HG GLN 2 3HG GLN 2 -4.425 2.914 7.342 19 1HE2 GLN 2 2HE2 GLN 2 -1.812 4.228 10.247 20 2HE2 GLN 2 1HE2 GLN 2 -1.481 2.780 9.422 21 QB GLN 2 QB GLN 2 -3.457 1.130 8.950 22 QG GLN 2 QG GLN 2 -3.569 2.821 7.166 23 QE2 GLN 2 QE2 GLN 2 -1.647 3.504 9.835 24 H THR 3 HN THR 3 -3.548 0.325 4.680 25 HA THR 3 HA THR 3 -0.677 -0.417 4.614 26 HB THR 3 HB THR 3 -2.635 0.062 2.310 27 HG1 THR 3 1HG THR 3 -3.546 -1.546 3.403 28 1HG2 THR 3 2HG2 THR 3 -0.130 -0.254 1.770 29 2HG2 THR 3 3HG2 THR 3 -0.241 -1.814 2.573 30 3HG2 THR 3 1HG2 THR 3 -1.183 -1.506 1.119 31 QG2 THR 3 QG2 THR 3 -0.518 -1.191 1.820 32 H VAL 4 HN VAL 4 0.946 1.024 4.004 33 HA VAL 4 HA VAL 4 0.042 3.784 3.245 34 HB VAL 4 HB VAL 4 2.548 3.217 4.857 35 1HG1 VAL 4 1HG1 VAL 4 2.404 5.385 3.654 36 2HG1 VAL 4 2HG1 VAL 4 0.856 5.714 4.433 37 3HG1 VAL 4 3HG1 VAL 4 2.327 5.625 5.395 38 1HG2 VAL 4 1HG2 VAL 4 0.571 2.449 6.165 39 2HG2 VAL 4 2HG2 VAL 4 1.283 3.896 6.867 40 3HG2 VAL 4 3HG2 VAL 4 -0.193 4.012 5.914 41 QG1 VAL 4 QG1 VAL 4 1.862 5.575 4.494 42 QG2 VAL 4 QG2 VAL 4 0.554 3.452 6.316 43 QQG VAL 4 QQG VAL 4 1.208 4.514 5.405 44 H ILE 5 HN ILE 5 0.840 4.449 1.405 45 HA ILE 5 HA ILE 5 3.158 2.967 0.206 46 HB ILE 5 HB ILE 5 0.896 4.560 -1.076 47 1HG1 ILE 5 2HG1 ILE 5 0.310 2.477 -2.205 48 2HG1 ILE 5 3HG1 ILE 5 1.621 1.637 -1.397 49 1HG2 ILE 5 2HG2 ILE 5 3.273 3.205 -2.406 50 2HG2 ILE 5 3HG2 ILE 5 1.898 3.898 -3.261 51 3HG2 ILE 5 1HG2 ILE 5 2.975 4.941 -2.341 52 1HD1 ILE 5 1HD1 ILE 5 -0.709 2.947 0.041 53 2HD1 ILE 5 2HD1 ILE 5 -0.631 1.235 -0.369 54 3HD1 ILE 5 3HD1 ILE 5 0.522 1.911 0.757 55 QG1 ILE 5 QG1 ILE 5 0.965 2.057 -1.801 56 QG2 ILE 5 QG2 ILE 5 2.715 4.015 -2.669 57 QD1 ILE 5 QD1 ILE 5 -0.273 2.031 0.143 58 H PHE 6 HN PHE 6 4.953 4.094 -0.314 59 HA PHE 6 HA PHE 6 4.951 7.069 0.051 60 1HB PHE 6 2HB PHE 6 7.243 5.050 0.025 61 2HB PHE 6 3HB PHE 6 7.460 6.777 0.153 62 HD1 PHE 6 1HD PHE 6 6.282 7.947 2.240 63 HD2 PHE 6 2HD PHE 6 6.999 3.757 1.954 64 HE1 PHE 6 1HE PHE 6 6.269 7.770 4.686 65 HE2 PHE 6 2HE PHE 6 7.052 3.599 4.407 66 HZ PHE 6 HZ PHE 6 6.712 5.608 5.777 67 QB PHE 6 QB PHE 6 7.351 5.913 0.089 68 QR PHE 6 QR PHE 6 6.650 5.768 3.322 69 H GLY 7 HN GLY 7 4.648 7.959 -1.967 70 1HA GLY 7 1HA GLY 7 5.716 6.389 -4.286 71 2HA GLY 7 2HA GLY 7 4.363 7.489 -4.400 72 QA GLY 7 QA GLY 7 5.039 6.939 -4.343 73 NH1 ARG 8 NH2 ARG 8 12.160 7.929 -7.113 74 NH2 ARG 8 NH1 ARG 8 12.964 7.579 -9.208 75 H ARG 8 HN ARG 8 5.563 8.194 -6.241 76 HA ARG 8 HA ARG 8 7.831 10.042 -5.625 77 1HB ARG 8 2HB ARG 8 7.744 8.009 -7.462 78 2HB ARG 8 3HB ARG 8 7.194 9.341 -8.460 79 1HG ARG 8 2HG ARG 8 9.204 10.641 -7.916 80 2HG ARG 8 3HG ARG 8 9.734 9.396 -6.792 81 1HD ARG 8 2HD ARG 8 9.719 7.766 -8.782 82 2HD ARG 8 3HD ARG 8 9.496 9.179 -9.812 83 HE ARG 8 HE ARG 8 11.708 9.990 -9.092 84 1HH1 ARG 8 2HH2 ARG 8 11.513 8.400 -6.518 85 2HH1 ARG 8 1HH2 ARG 8 12.787 7.246 -6.731 86 1HH2 ARG 8 2HH1 ARG 8 12.942 7.806 -10.184 87 2HH2 ARG 8 1HH1 ARG 8 13.589 6.871 -8.875 88 QB ARG 8 QB ARG 8 7.469 8.675 -7.961 89 QG ARG 8 QG ARG 8 9.469 10.018 -7.354 90 QD ARG 8 QD ARG 8 9.607 8.473 -9.297 91 QH1 ARG 8 QH2 ARG 8 12.150 7.823 -6.624 92 QH2 ARG 8 QH1 ARG 8 13.265 7.338 -9.529 93 H SER 9 HN SER 9 7.223 11.227 -8.434 94 HA SER 9 HA SER 9 5.842 13.532 -7.598 95 1HB SER 9 2HB SER 9 5.401 13.132 -10.427 96 2HB SER 9 3HB SER 9 6.585 14.201 -9.651 97 HG SER 9 HG SER 9 7.159 12.096 -10.987 98 QB SER 9 QB SER 9 5.993 13.667 -10.039 99 H GLY 10 HN GLY 10 3.825 14.316 -8.900 100 1HA GLY 10 1HA GLY 10 1.591 12.678 -7.985 101 2HA GLY 10 2HA GLY 10 1.468 14.246 -8.773 102 QA GLY 10 QA GLY 10 1.530 13.462 -8.379 103 H CYS 11 HN CYS 11 2.422 10.925 -9.476 104 HA CYS 11 HA CYS 11 0.956 11.099 -12.074 105 1HB CYS 11 2HB CYS 11 3.439 11.181 -12.387 106 2HB CYS 11 3HB CYS 11 3.578 9.677 -11.509 107 HG CYS 11 HG CYS 11 2.825 8.385 -13.519 108 QB CYS 11 QB CYS 11 3.508 10.429 -11.948 109 HA PRO 12 HA PRO 12 -0.815 7.290 -10.489 110 1HB PRO 12 2HB PRO 12 -1.523 6.087 -12.876 111 2HB PRO 12 3HB PRO 12 -2.469 7.348 -12.084 112 1HG PRO 12 2HG PRO 12 -0.579 7.582 -14.419 113 2HG PRO 12 3HG PRO 12 -2.092 8.445 -14.125 114 1HD PRO 12 2HD PRO 12 0.408 9.555 -13.689 115 2HD PRO 12 3HD PRO 12 -1.051 10.067 -12.812 116 QB PRO 12 QB PRO 12 -1.996 6.717 -12.480 117 QG PRO 12 QG PRO 12 -1.335 8.014 -14.272 118 QD PRO 12 QD PRO 12 -0.322 9.811 -13.251 119 OH TYR 13 OH TYR 13 8.660 2.563 -10.668 120 H TYR 13 HN TYR 13 1.643 7.007 -10.045 121 HA TYR 13 HA TYR 13 2.653 4.661 -11.615 122 1HB TYR 13 2HB TYR 13 4.177 6.592 -11.580 123 2HB TYR 13 3HB TYR 13 4.122 6.646 -9.831 124 HD1 TYR 13 HD2 TYR 13 4.586 3.785 -12.259 125 HD2 TYR 13 HD1 TYR 13 6.216 6.000 -9.005 126 HE1 TYR 13 HE2 TYR 13 6.578 2.355 -12.270 127 HE2 TYR 13 HE1 TYR 13 8.163 4.511 -8.973 128 HH TYR 13 HH TYR 13 8.857 2.355 -11.591 129 QB TYR 13 QB TYR 13 4.150 6.619 -10.706 130 QR TYR 13 QR TYR 13 6.386 4.163 -10.627 131 H CYS 14 HN CYS 14 3.820 5.424 -8.408 132 HA CYS 14 HA CYS 14 3.478 2.830 -7.371 133 1HB CYS 14 2HB CYS 14 3.256 5.353 -5.713 134 2HB CYS 14 3HB CYS 14 3.749 3.778 -5.160 135 HG CYS 14 HG CYS 14 5.571 5.858 -6.405 136 QB CYS 14 QB CYS 14 3.502 4.566 -5.437 137 H VAL 15 HN VAL 15 1.195 5.299 -7.911 138 HA VAL 15 HA VAL 15 -0.878 4.868 -6.134 139 HB VAL 15 HB VAL 15 -1.083 5.324 -9.141 140 1HG1 VAL 15 3HG1 VAL 15 -3.240 4.534 -8.147 141 2HG1 VAL 15 1HG1 VAL 15 -3.130 5.803 -6.933 142 3HG1 VAL 15 2HG1 VAL 15 -3.336 6.220 -8.634 143 1HG2 VAL 15 3HG2 VAL 15 -1.116 7.231 -6.755 144 2HG2 VAL 15 1HG2 VAL 15 0.208 7.060 -7.903 145 3HG2 VAL 15 2HG2 VAL 15 -1.339 7.705 -8.435 146 QG1 VAL 15 QG1 VAL 15 -3.235 5.519 -7.905 147 QG2 VAL 15 QG2 VAL 15 -0.749 7.332 -7.698 148 QQG VAL 15 QQG VAL 15 -1.992 6.425 -7.801 149 NH1 ARG 16 NH1 ARG 16 -4.248 -0.837 -10.861 150 NH2 ARG 16 NH2 ARG 16 -4.134 0.329 -12.832 151 H ARG 16 HN ARG 16 0.121 2.733 -8.783 152 HA ARG 16 HA ARG 16 -2.090 1.058 -9.007 153 1HB ARG 16 2HB ARG 16 0.675 0.948 -9.629 154 2HB ARG 16 3HB ARG 16 0.359 -0.509 -8.704 155 1HG ARG 16 2HG ARG 16 0.026 -0.908 -11.099 156 2HG ARG 16 3HG ARG 16 -1.484 -1.089 -10.219 157 1HD ARG 16 2HD ARG 16 -0.880 1.622 -11.354 158 2HD ARG 16 3HD ARG 16 -1.335 0.359 -12.492 159 HE ARG 16 HE ARG 16 -3.082 1.556 -10.420 160 1HH1 ARG 16 2HH1 ARG 16 -3.938 -0.940 -9.914 161 2HH1 ARG 16 1HH1 ARG 16 -4.931 -1.466 -11.231 162 1HH2 ARG 16 2HH2 ARG 16 -3.721 1.074 -13.352 163 2HH2 ARG 16 1HH2 ARG 16 -4.837 -0.239 -13.257 164 QB ARG 16 QB ARG 16 0.517 0.219 -9.167 165 QG ARG 16 QG ARG 16 -0.729 -0.998 -10.659 166 QD ARG 16 QD ARG 16 -1.107 0.990 -11.923 167 QH1 ARG 16 QH1 ARG 16 -4.435 -1.203 -10.572 168 QH2 ARG 16 QH2 ARG 16 -4.279 0.418 -13.305 169 H ALA 17 HN ALA 17 0.172 1.231 -6.304 170 HA ALA 17 HA ALA 17 -0.869 -1.108 -4.952 171 1HB ALA 17 3HB ALA 17 0.512 1.364 -3.839 172 2HB ALA 17 1HB ALA 17 0.191 -0.101 -2.913 173 3HB ALA 17 2HB ALA 17 1.296 -0.147 -4.279 174 QB ALA 17 QB ALA 17 0.666 0.372 -3.677 175 H LYS 18 HN LYS 18 -1.549 2.340 -4.896 176 HA LYS 18 HA LYS 18 -3.582 2.362 -2.888 177 1HB LYS 18 2HB LYS 18 -2.577 4.444 -3.949 178 2HB LYS 18 3HB LYS 18 -3.493 4.093 -5.402 179 1HG LYS 18 2HG LYS 18 -5.256 4.000 -3.097 180 2HG LYS 18 3HG LYS 18 -4.377 5.512 -3.105 181 1HD LYS 18 2HD LYS 18 -6.408 5.895 -4.334 182 2HD LYS 18 3HD LYS 18 -5.113 5.840 -5.520 183 1HE LYS 18 2HE LYS 18 -5.672 3.528 -6.074 184 2HE LYS 18 3HE LYS 18 -6.888 3.482 -4.814 185 1HZ LYS 18 3HZ LYS 18 -7.409 5.652 -6.511 186 2HZ LYS 18 1HZ LYS 18 -7.148 4.256 -7.461 187 3HZ LYS 18 2HZ LYS 18 -8.359 4.272 -6.236 188 QB LYS 18 QB LYS 18 -3.035 4.268 -4.675 189 QG LYS 18 QG LYS 18 -4.816 4.756 -3.101 190 QD LYS 18 QD LYS 18 -5.761 5.867 -4.927 191 QE LYS 18 QE LYS 18 -6.280 3.505 -5.444 192 QZ LYS 18 QZ LYS 18 -7.639 4.726 -6.736 193 H ASP 19 HN ASP 19 -3.710 1.903 -6.376 194 HA ASP 19 HA ASP 19 -6.542 1.539 -6.595 195 1HB ASP 19 2HB ASP 19 -4.304 0.407 -8.300 196 2HB ASP 19 3HB ASP 19 -5.987 0.470 -8.779 197 QB ASP 19 QB ASP 19 -5.145 0.439 -8.539 198 H LEU 20 HN LEU 20 -3.993 -0.932 -6.664 199 HA LEU 20 HA LEU 20 -5.619 -3.201 -6.498 200 1HB LEU 20 2HB LEU 20 -3.261 -3.480 -6.846 201 2HB LEU 20 3HB LEU 20 -2.851 -2.569 -5.405 202 HG LEU 20 HG LEU 20 -3.673 -4.382 -3.967 203 1HD1 LEU 20 3HD1 LEU 20 -4.453 -5.737 -6.580 204 2HD1 LEU 20 1HD1 LEU 20 -4.546 -6.481 -4.988 205 3HD1 LEU 20 2HD1 LEU 20 -5.577 -5.113 -5.376 206 1HD2 LEU 20 2HD2 LEU 20 -1.354 -4.558 -4.855 207 2HD2 LEU 20 3HD2 LEU 20 -2.071 -6.150 -4.628 208 3HD2 LEU 20 1HD2 LEU 20 -1.961 -5.455 -6.244 209 QB LEU 20 QB LEU 20 -3.056 -3.024 -6.126 210 QD1 LEU 20 QD1 LEU 20 -4.859 -5.777 -5.648 211 QD2 LEU 20 QD2 LEU 20 -1.795 -5.388 -5.242 212 QQD LEU 20 QQD LEU 20 -3.327 -5.582 -5.445 213 H ALA 21 HN ALA 21 -4.194 -1.403 -3.776 214 HA ALA 21 HA ALA 21 -5.488 -2.935 -1.722 215 1HB ALA 21 2HB ALA 21 -4.580 -0.023 -1.681 216 2HB ALA 21 3HB ALA 21 -4.952 -0.989 -0.258 217 3HB ALA 21 1HB ALA 21 -3.576 -1.403 -1.273 218 QB ALA 21 QB ALA 21 -4.370 -0.805 -1.071 219 H GLU 22 HN GLU 22 -6.371 0.123 -3.288 220 HA GLU 22 HA GLU 22 -8.658 0.808 -1.873 221 1HB GLU 22 2HB GLU 22 -7.724 2.147 -3.678 222 2HB GLU 22 3HB GLU 22 -8.232 0.970 -4.871 223 1HG GLU 22 2HG GLU 22 -10.555 1.464 -4.479 224 2HG GLU 22 3HG GLU 22 -10.178 2.377 -3.019 225 QB GLU 22 QB GLU 22 -7.978 1.558 -4.275 226 QG GLU 22 QG GLU 22 -10.366 1.921 -3.749 227 H LYS 23 HN LYS 23 -8.549 -1.438 -4.668 228 HA LYS 23 HA LYS 23 -11.298 -2.075 -4.667 229 1HB LYS 23 2HB LYS 23 -9.728 -3.026 -6.375 230 2HB LYS 23 3HB LYS 23 -8.989 -4.026 -5.140 231 1HG LYS 23 2HG LYS 23 -10.583 -5.377 -6.406 232 2HG LYS 23 3HG LYS 23 -11.171 -5.196 -4.766 233 1HD LYS 23 2HD LYS 23 -12.558 -3.181 -5.692 234 2HD LYS 23 3HD LYS 23 -12.152 -3.809 -7.283 235 1HE LYS 23 2HE LYS 23 -14.331 -4.685 -6.531 236 2HE LYS 23 3HE LYS 23 -13.161 -5.989 -6.684 237 1HZ LYS 23 3HZ LYS 23 -13.002 -4.908 -4.085 238 2HZ LYS 23 1HZ LYS 23 -14.620 -5.278 -4.407 239 3HZ LYS 23 2HZ LYS 23 -13.422 -6.491 -4.557 240 QB LYS 23 QB LYS 23 -9.358 -3.526 -5.757 241 QG LYS 23 QG LYS 23 -10.877 -5.287 -5.586 242 QD LYS 23 QD LYS 23 -12.355 -3.495 -6.488 243 QE LYS 23 QE LYS 23 -13.746 -5.337 -6.608 244 QZ LYS 23 QZ LYS 23 -13.681 -5.559 -4.350 245 H LEU 24 HN LEU 24 -8.795 -3.856 -2.916 246 HA LEU 24 HA LEU 24 -10.444 -5.644 -1.469 247 1HB LEU 24 2HB LEU 24 -7.991 -4.248 -0.339 248 2HB LEU 24 3HB LEU 24 -8.568 -5.848 0.065 249 HG LEU 24 HG LEU 24 -7.460 -5.001 -2.644 250 1HD1 LEU 24 3HD1 LEU 24 -5.782 -5.183 -0.821 251 2HD1 LEU 24 1HD1 LEU 24 -6.334 -6.830 -0.505 252 3HD1 LEU 24 2HD1 LEU 24 -5.584 -6.427 -2.045 253 1HD2 LEU 24 2HD2 LEU 24 -9.180 -6.811 -2.840 254 2HD2 LEU 24 3HD2 LEU 24 -7.565 -7.405 -3.204 255 3HD2 LEU 24 1HD2 LEU 24 -8.296 -7.758 -1.642 256 QB LEU 24 QB LEU 24 -8.279 -5.048 -0.137 257 QD1 LEU 24 QD1 LEU 24 -5.900 -6.147 -1.124 258 QD2 LEU 24 QD2 LEU 24 -8.347 -7.325 -2.562 259 QQD LEU 24 QQD LEU 24 -7.124 -6.736 -1.843 260 H SER 25 HN SER 25 -9.239 -2.484 -0.715 261 HA SER 25 HA SER 25 -10.393 -1.794 1.703 262 1HB SER 25 2HB SER 25 -8.960 -0.435 -0.211 263 2HB SER 25 3HB SER 25 -10.552 0.288 -0.457 264 HG SER 25 HG SER 25 -10.210 0.148 2.155 265 QB SER 25 QB SER 25 -9.756 -0.074 -0.334 266 H ASN 26 HN ASN 26 -11.827 -1.809 -1.500 267 HA ASN 26 HA ASN 26 -14.498 -1.315 -0.250 268 1HB ASN 26 2HB ASN 26 -13.654 0.403 -1.930 269 2HB ASN 26 3HB ASN 26 -13.711 -0.873 -3.129 270 1HD2 ASN 26 2HD2 ASN 26 -17.446 -0.629 -1.670 271 2HD2 ASN 26 1HD2 ASN 26 -16.188 -1.253 -0.721 272 QB ASN 26 QB ASN 26 -13.682 -0.235 -2.530 273 QD2 ASN 26 QD2 ASN 26 -16.817 -0.941 -1.196 274 H GLU 27 HN GLU 27 -13.330 -3.829 -0.349 275 HA GLU 27 HA GLU 27 -15.034 -5.248 -2.361 276 1HB GLU 27 2HB GLU 27 -12.559 -5.576 -2.586 277 2HB GLU 27 3HB GLU 27 -12.503 -6.184 -0.962 278 1HG GLU 27 2HG GLU 27 -13.783 -8.135 -1.566 279 2HG GLU 27 3HG GLU 27 -14.276 -7.421 -3.088 280 QB GLU 27 QB GLU 27 -12.531 -5.880 -1.774 281 QG GLU 27 QG GLU 27 -14.029 -7.778 -2.327 282 NH1 ARG 28 NH1 ARG 28 -10.157 -9.589 0.336 283 NH2 ARG 28 NH2 ARG 28 -10.198 -9.726 2.619 284 H ARG 28 HN ARG 28 -13.536 -5.740 0.792 285 HA ARG 28 HA ARG 28 -16.145 -6.832 1.785 286 1HB ARG 28 2HB ARG 28 -13.426 -7.464 2.981 287 2HB ARG 28 3HB ARG 28 -14.941 -8.246 3.342 288 1HG ARG 28 2HG ARG 28 -13.922 -9.819 1.947 289 2HG ARG 28 3HG ARG 28 -14.900 -8.912 0.800 290 1HD ARG 28 2HD ARG 28 -12.602 -9.266 -0.056 291 2HD ARG 28 3HD ARG 28 -12.941 -7.570 0.171 292 HE ARG 28 HE ARG 28 -11.557 -7.628 2.259 293 1HH1 ARG 28 2HH1 ARG 28 -10.549 -9.216 -0.512 294 2HH1 ARG 28 1HH1 ARG 28 -9.387 -10.241 0.280 295 1HH2 ARG 28 2HH2 ARG 28 -10.530 -9.350 3.491 296 2HH2 ARG 28 1HH2 ARG 28 -9.558 -10.504 2.625 297 QB ARG 28 QB ARG 28 -14.184 -7.855 3.162 298 QG ARG 28 QG ARG 28 -14.411 -9.365 1.374 299 QD ARG 28 QD ARG 28 -12.771 -8.418 0.058 300 QH1 ARG 28 QH1 ARG 28 -9.968 -9.729 -0.116 301 QH2 ARG 28 QH2 ARG 28 -10.044 -9.927 3.058 302 H ASP 29 HN ASP 29 -14.751 -4.157 1.478 303 HA ASP 29 HA ASP 29 -14.047 -2.308 2.777 304 1HB ASP 29 2HB ASP 29 -16.807 -3.151 3.669 305 2HB ASP 29 3HB ASP 29 -16.066 -1.656 4.229 306 QB ASP 29 QB ASP 29 -16.437 -2.403 3.949 307 H ASP 30 HN ASP 30 -12.730 -4.375 3.556 308 HA ASP 30 HA ASP 30 -12.574 -4.276 6.549 309 1HB ASP 30 2HB ASP 30 -11.776 -6.598 6.427 310 2HB ASP 30 3HB ASP 30 -13.295 -6.486 5.546 311 QB ASP 30 QB ASP 30 -12.536 -6.542 5.987 312 H PHE 31 HN PHE 31 -11.153 -2.994 3.984 313 HA PHE 31 HA PHE 31 -8.418 -3.211 5.161 314 1HB PHE 31 2HB PHE 31 -8.900 -4.654 3.050 315 2HB PHE 31 3HB PHE 31 -8.911 -3.129 2.180 316 HD1 PHE 31 2HD PHE 31 -6.859 -5.422 4.198 317 HD2 PHE 31 1HD PHE 31 -6.852 -1.921 1.768 318 HE1 PHE 31 2HE PHE 31 -4.406 -5.524 4.062 319 HE2 PHE 31 1HE PHE 31 -4.404 -2.029 1.627 320 HZ PHE 31 HZ PHE 31 -3.178 -3.822 2.790 321 QB PHE 31 QB PHE 31 -8.905 -3.891 2.615 322 QR PHE 31 QR PHE 31 -5.630 -3.724 2.914 323 H GLN 32 HN GLN 32 -7.155 -1.260 5.001 324 HA GLN 32 HA GLN 32 -8.521 1.081 3.740 325 1HB GLN 32 2HB GLN 32 -7.302 0.989 6.538 326 2HB GLN 32 3HB GLN 32 -7.954 2.429 5.767 327 1HG GLN 32 2HG GLN 32 -10.195 1.502 5.744 328 2HG GLN 32 3HG GLN 32 -9.611 -0.094 6.198 329 1HE2 GLN 32 2HE2 GLN 32 -10.807 2.183 9.147 330 2HE2 GLN 32 1HE2 GLN 32 -11.354 2.248 7.540 331 QB GLN 32 QB GLN 32 -7.628 1.709 6.153 332 QG GLN 32 QG GLN 32 -9.903 0.704 5.971 333 QE2 GLN 32 QE2 GLN 32 -11.081 2.215 8.344 334 OH TYR 33 OH TYR 33 -8.328 5.476 -1.839 335 H TYR 33 HN TYR 33 -7.039 2.745 3.045 336 HA TYR 33 HA TYR 33 -4.148 2.048 3.254 337 1HB TYR 33 2HB TYR 33 -3.802 2.309 0.863 338 2HB TYR 33 3HB TYR 33 -5.091 1.134 1.087 339 HD1 TYR 33 HD1 TYR 33 -7.489 1.824 0.708 340 HD2 TYR 33 HD2 TYR 33 -4.254 4.457 -0.155 341 HE1 TYR 33 HE1 TYR 33 -8.991 3.256 -0.595 342 HE2 TYR 33 HE2 TYR 33 -5.766 5.880 -1.456 343 HH TYR 33 HH TYR 33 -8.597 5.012 -2.652 344 QB TYR 33 QB TYR 33 -4.446 1.722 0.975 345 QR TYR 33 QR TYR 33 -6.625 3.854 -0.375 346 H GLN 34 HN GLN 34 -2.730 3.755 2.884 347 HA GLN 34 HA GLN 34 -3.851 6.512 2.680 348 1HB GLN 34 2HB GLN 34 -2.811 5.408 5.049 349 2HB GLN 34 3HB GLN 34 -1.449 6.272 4.380 350 1HG GLN 34 2HG GLN 34 -2.690 7.783 5.826 351 2HG GLN 34 3HG GLN 34 -2.866 8.317 4.163 352 1HE2 GLN 34 2HE2 GLN 34 -6.207 6.315 5.410 353 2HE2 GLN 34 1HE2 GLN 34 -4.705 5.530 5.455 354 QB GLN 34 QB GLN 34 -2.130 5.840 4.714 355 QG GLN 34 QG GLN 34 -2.778 8.050 4.995 356 QE2 GLN 34 QE2 GLN 34 -5.456 5.923 5.432 357 OH TYR 35 OH TYR 35 2.989 9.462 -4.459 358 H TYR 35 HN TYR 35 -2.591 7.851 1.349 359 HA TYR 35 HA TYR 35 -0.093 6.584 0.272 360 1HB TYR 35 2HB TYR 35 -1.711 6.765 -1.501 361 2HB TYR 35 3HB TYR 35 -2.097 8.429 -1.081 362 HD1 TYR 35 HD2 TYR 35 0.536 6.199 -2.472 363 HD2 TYR 35 HD1 TYR 35 -0.622 10.248 -1.820 364 HE1 TYR 35 HE2 TYR 35 2.360 6.953 -3.917 365 HE2 TYR 35 HE1 TYR 35 1.238 11.003 -3.226 366 HH TYR 35 HH TYR 35 3.517 10.097 -3.950 367 QB TYR 35 QB TYR 35 -1.904 7.597 -1.291 368 QR TYR 35 QR TYR 35 0.878 8.601 -2.859 369 H VAL 36 HN VAL 36 1.760 7.654 0.513 370 HA VAL 36 HA VAL 36 1.658 10.520 1.331 371 HB VAL 36 HB VAL 36 3.359 8.260 2.459 372 1HG1 VAL 36 3HG1 VAL 36 3.298 11.213 3.192 373 2HG1 VAL 36 1HG1 VAL 36 4.125 9.958 4.111 374 3HG1 VAL 36 2HG1 VAL 36 4.657 10.343 2.479 375 1HG2 VAL 36 3HG2 VAL 36 1.007 8.254 3.240 376 2HG2 VAL 36 1HG2 VAL 36 2.090 8.715 4.547 377 3HG2 VAL 36 2HG2 VAL 36 1.147 9.940 3.704 378 QG1 VAL 36 QG1 VAL 36 4.026 10.505 3.261 379 QG2 VAL 36 QG2 VAL 36 1.415 8.970 3.830 380 QQG VAL 36 QQG VAL 36 2.721 9.737 3.545 381 H ASP 37 HN ASP 37 3.813 11.570 1.102 382 HA ASP 37 HA ASP 37 5.242 10.630 -1.359 383 1HB ASP 37 2HB ASP 37 3.804 12.698 -1.627 384 2HB ASP 37 3HB ASP 37 4.822 13.500 -0.441 385 QB ASP 37 QB ASP 37 4.313 13.099 -1.034 386 H ILE 38 HN ILE 38 7.367 10.296 -1.089 387 HA ILE 38 HA ILE 38 8.680 10.137 1.350 388 HB ILE 38 HB ILE 38 10.803 10.327 -0.028 389 1HG1 ILE 38 2HG1 ILE 38 8.753 10.980 -2.192 390 2HG1 ILE 38 3HG1 ILE 38 10.086 11.989 -1.657 391 1HG2 ILE 38 3HG2 ILE 38 9.516 8.212 0.275 392 2HG2 ILE 38 1HG2 ILE 38 8.574 8.587 -1.165 393 3HG2 ILE 38 2HG2 ILE 38 10.301 8.269 -1.294 394 1HD1 ILE 38 1HD1 ILE 38 11.699 10.271 -2.483 395 2HD1 ILE 38 2HD1 ILE 38 10.340 9.324 -3.093 396 3HD1 ILE 38 3HD1 ILE 38 10.675 10.915 -3.769 397 QG1 ILE 38 QG1 ILE 38 9.420 11.484 -1.925 398 QG2 ILE 38 QG2 ILE 38 9.464 8.356 -0.728 399 QD1 ILE 38 QD1 ILE 38 10.905 10.170 -3.115 400 NH1 ARG 39 NH2 ARG 39 7.673 15.129 -3.343 401 NH2 ARG 39 NH1 ARG 39 5.766 16.335 -3.093 402 H ARG 39 HN ARG 39 8.268 12.933 -0.673 403 HA ARG 39 HA ARG 39 10.121 14.631 0.813 404 1HB ARG 39 2HB ARG 39 9.562 15.076 -1.522 405 2HB ARG 39 3HB ARG 39 7.863 15.157 -1.115 406 1HG ARG 39 2HG ARG 39 8.975 17.097 0.549 407 2HG ARG 39 3HG ARG 39 9.913 17.249 -0.929 408 1HD ARG 39 2HD ARG 39 6.873 17.307 -0.716 409 2HD ARG 39 3HD ARG 39 7.917 18.674 -1.085 410 HE ARG 39 HE ARG 39 8.265 17.790 -3.300 411 1HH1 ARG 39 2HH2 ARG 39 8.666 15.085 -3.291 412 2HH1 ARG 39 1HH2 ARG 39 7.146 14.300 -3.601 413 1HH2 ARG 39 2HH1 ARG 39 5.323 17.195 -2.850 414 2HH2 ARG 39 1HH1 ARG 39 5.208 15.541 -3.371 415 QB ARG 39 QB ARG 39 8.712 15.117 -1.319 416 QG ARG 39 QG ARG 39 9.444 17.173 -0.190 417 QD ARG 39 QD ARG 39 7.395 17.991 -0.900 418 QH1 ARG 39 QH2 ARG 39 7.906 14.693 -3.446 419 QH2 ARG 39 QH1 ARG 39 5.266 16.368 -3.111 420 H ALA 40 HN ALA 40 6.594 14.483 0.546 421 HA ALA 40 HA ALA 40 5.683 16.409 2.266 422 1HB ALA 40 1HB ALA 40 4.733 13.525 2.198 423 2HB ALA 40 2HB ALA 40 3.807 14.879 2.828 424 3HB ALA 40 3HB ALA 40 4.202 14.809 1.117 425 QB ALA 40 QB ALA 40 4.247 14.404 2.048 426 H GLU 41 HN GLU 41 6.607 13.160 3.371 427 HA GLU 41 HA GLU 41 6.428 13.935 6.189 428 1HB GLU 41 2HB GLU 41 7.239 11.426 4.733 429 2HB GLU 41 3HB GLU 41 7.819 11.636 6.378 430 1HG GLU 41 2HG GLU 41 5.360 12.118 7.022 431 2HG GLU 41 3HG GLU 41 4.931 11.491 5.435 432 QB GLU 41 QB GLU 41 7.529 11.531 5.556 433 QG GLU 41 QG GLU 41 5.145 11.804 6.229 434 H GLY 42 HN GLY 42 9.058 13.444 3.880 435 1HA GLY 42 1HA GLY 42 11.058 14.884 3.994 436 2HA GLY 42 2HA GLY 42 10.862 14.939 5.747 437 QA GLY 42 QA GLY 42 10.960 14.912 4.870 438 H ILE 43 HN ILE 43 10.756 12.283 3.461 439 HA ILE 43 HA ILE 43 12.608 10.745 5.178 440 HB ILE 43 HB ILE 43 10.813 9.883 2.875 441 1HG1 ILE 43 2HG1 ILE 43 10.305 9.476 5.842 442 2HG1 ILE 43 3HG1 ILE 43 9.700 10.890 4.994 443 1HG2 ILE 43 2HG2 ILE 43 12.237 8.252 5.029 444 2HG2 ILE 43 3HG2 ILE 43 11.138 7.601 3.811 445 3HG2 ILE 43 1HG2 ILE 43 12.673 8.302 3.325 446 1HD1 ILE 43 3HD1 ILE 43 8.480 9.406 3.414 447 2HD1 ILE 43 1HD1 ILE 43 9.087 7.998 4.283 448 3HD1 ILE 43 2HD1 ILE 43 7.990 9.118 5.080 449 QG1 ILE 43 QG1 ILE 43 10.002 10.183 5.418 450 QG2 ILE 43 QG2 ILE 43 12.016 8.052 4.055 451 QD1 ILE 43 QD1 ILE 43 8.519 8.841 4.259 452 H THR 44 HN THR 44 14.349 9.633 4.281 453 HA THR 44 HA THR 44 15.375 10.721 1.692 454 HB THR 44 HB THR 44 17.667 10.363 2.682 455 HG1 THR 44 1HG THR 44 16.208 8.776 4.231 456 1HG2 THR 44 2HG2 THR 44 16.441 12.552 3.239 457 2HG2 THR 44 3HG2 THR 44 15.822 11.765 4.686 458 3HG2 THR 44 1HG2 THR 44 17.552 12.037 4.506 459 QG2 THR 44 QG2 THR 44 16.605 12.118 4.144 460 H LYS 45 HN LYS 45 16.144 9.226 0.204 461 HA LYS 45 HA LYS 45 15.111 6.647 0.108 462 1HB LYS 45 2HB LYS 45 17.657 6.402 -1.078 463 2HB LYS 45 3HB LYS 45 16.131 6.722 -1.884 464 1HG LYS 45 2HG LYS 45 16.474 9.157 -1.565 465 2HG LYS 45 3HG LYS 45 18.024 8.832 -0.791 466 1HD LYS 45 2HD LYS 45 17.291 8.032 -3.642 467 2HD LYS 45 3HD LYS 45 18.229 9.448 -3.219 468 1HE LYS 45 2HE LYS 45 19.830 7.800 -3.807 469 2HE LYS 45 3HE LYS 45 19.863 7.856 -2.053 470 1HZ LYS 45 1HZ LYS 45 17.948 5.927 -2.893 471 2HZ LYS 45 2HZ LYS 45 19.408 5.648 -3.690 472 3HZ LYS 45 3HZ LYS 45 19.372 5.721 -1.979 473 QB LYS 45 QB LYS 45 16.894 6.562 -1.481 474 QG LYS 45 QG LYS 45 17.249 8.995 -1.178 475 QD LYS 45 QD LYS 45 17.760 8.740 -3.431 476 QE LYS 45 QE LYS 45 19.847 7.828 -2.930 477 QZ LYS 45 QZ LYS 45 18.909 5.765 -2.854 478 H GLU 46 HN GLU 46 18.357 7.488 1.335 479 HA GLU 46 HA GLU 46 19.178 4.892 2.102 480 1HB GLU 46 2HB GLU 46 19.680 7.615 3.376 481 2HB GLU 46 3HB GLU 46 20.481 6.155 3.933 482 1HG GLU 46 2HG GLU 46 21.802 7.494 2.208 483 2HG GLU 46 3HG GLU 46 21.543 5.808 1.776 484 QB GLU 46 QB GLU 46 20.080 6.885 3.654 485 QG GLU 46 QG GLU 46 21.673 6.651 1.992 486 H ASP 47 HN ASP 47 17.226 7.193 4.061 487 HA ASP 47 HA ASP 47 16.908 5.559 6.343 488 1HB ASP 47 2HB ASP 47 16.072 7.890 6.255 489 2HB ASP 47 3HB ASP 47 14.901 7.449 5.021 490 QB ASP 47 QB ASP 47 15.487 7.669 5.638 491 H LEU 48 HN LEU 48 14.810 5.805 3.523 492 HA LEU 48 HA LEU 48 12.994 3.705 4.107 493 1HB LEU 48 2HB LEU 48 13.924 5.157 1.680 494 2HB LEU 48 3HB LEU 48 13.217 3.593 1.346 495 HG LEU 48 HG LEU 48 11.873 5.682 3.098 496 1HD1 LEU 48 1HD1 LEU 48 12.202 6.556 0.797 497 2HD1 LEU 48 2HD1 LEU 48 11.467 5.101 0.138 498 3HD1 LEU 48 3HD1 LEU 48 10.503 6.213 1.104 499 1HD2 LEU 48 3HD2 LEU 48 10.816 3.215 1.662 500 2HD2 LEU 48 1HD2 LEU 48 11.090 3.337 3.398 501 3HD2 LEU 48 2HD2 LEU 48 9.848 4.321 2.632 502 QB LEU 48 QB LEU 48 13.571 4.375 1.513 503 QD1 LEU 48 QD1 LEU 48 11.391 5.957 0.680 504 QD2 LEU 48 QD2 LEU 48 10.585 3.624 2.564 505 QQD LEU 48 QQD LEU 48 10.988 4.791 1.622 506 H GLN 49 HN GLN 49 15.925 3.624 2.242 507 HA GLN 49 HA GLN 49 16.167 0.939 1.562 508 1HB GLN 49 2HB GLN 49 18.087 3.168 2.239 509 2HB GLN 49 3HB GLN 49 18.735 1.621 1.781 510 1HG GLN 49 2HG GLN 49 17.648 1.732 -0.391 511 2HG GLN 49 3HG GLN 49 16.661 3.094 0.114 512 1HE2 GLN 49 2HE2 GLN 49 20.519 4.318 -0.079 513 2HE2 GLN 49 1HE2 GLN 49 20.069 3.080 1.000 514 QB GLN 49 QB GLN 49 18.411 2.394 2.010 515 QG GLN 49 QG GLN 49 17.154 2.413 -0.139 516 QE2 GLN 49 QE2 GLN 49 20.294 3.699 0.461 517 H GLN 50 HN GLN 50 17.258 2.586 4.481 518 HA GLN 50 HA GLN 50 18.231 0.301 5.898 519 1HB GLN 50 2HB GLN 50 18.639 2.790 6.356 520 2HB GLN 50 3HB GLN 50 17.047 2.836 7.092 521 1HG GLN 50 2HG GLN 50 17.702 1.162 8.742 522 2HG GLN 50 3HG GLN 50 19.275 0.970 7.980 523 1HE2 GLN 50 2HE2 GLN 50 19.329 4.776 9.126 524 2HE2 GLN 50 1HE2 GLN 50 18.609 4.226 7.693 525 QB GLN 50 QB GLN 50 17.843 2.813 6.724 526 QG GLN 50 QG GLN 50 18.488 1.066 8.361 527 QE2 GLN 50 QE2 GLN 50 18.969 4.501 8.409 528 H LYS 51 HN LYS 51 15.186 2.066 6.292 529 HA LYS 51 HA LYS 51 13.876 0.447 8.181 530 1HB LYS 51 2HB LYS 51 12.899 2.191 5.913 531 2HB LYS 51 3HB LYS 51 11.749 1.307 6.887 532 1HG LYS 51 2HG LYS 51 12.651 2.441 8.933 533 2HG LYS 51 3HG LYS 51 13.750 3.356 7.899 534 1HD LYS 51 2HD LYS 51 11.836 4.323 6.672 535 2HD LYS 51 3HD LYS 51 10.716 3.338 7.586 536 1HE LYS 51 2HE LYS 51 10.947 5.784 8.305 537 2HE LYS 51 3HE LYS 51 11.041 4.589 9.574 538 1HZ LYS 51 3HZ LYS 51 13.615 5.068 8.481 539 2HZ LYS 51 1HZ LYS 51 12.930 6.550 8.855 540 3HZ LYS 51 2HZ LYS 51 13.100 5.373 10.084 541 QB LYS 51 QB LYS 51 12.324 1.749 6.400 542 QG LYS 51 QG LYS 51 13.201 2.898 8.416 543 QD LYS 51 QD LYS 51 11.276 3.830 7.129 544 QE LYS 51 QE LYS 51 10.994 5.186 8.940 545 QZ LYS 51 QZ LYS 51 13.215 5.664 9.140 546 H ALA 52 HN ALA 52 13.760 0.263 4.686 547 HA ALA 52 HA ALA 52 11.908 -1.786 4.343 548 1HB ALA 52 1HB ALA 52 12.710 -0.320 2.543 549 2HB ALA 52 2HB ALA 52 14.310 -1.053 2.637 550 3HB ALA 52 3HB ALA 52 12.935 -2.004 2.085 551 QB ALA 52 QB ALA 52 13.318 -1.126 2.422 552 H GLY 53 HN GLY 53 15.447 -2.080 4.286 553 1HA GLY 53 1HA GLY 53 16.535 -3.935 5.530 554 2HA GLY 53 2HA GLY 53 15.136 -4.941 5.147 555 QA GLY 53 QA GLY 53 15.836 -4.438 5.338 556 H LYS 54 HN LYS 54 14.909 -3.985 2.447 557 HA LYS 54 HA LYS 54 17.207 -5.456 1.245 558 1HB LYS 54 2HB LYS 54 15.659 -5.807 -0.707 559 2HB LYS 54 3HB LYS 54 15.063 -6.521 0.782 560 1HG LYS 54 2HG LYS 54 13.512 -4.675 1.127 561 2HG LYS 54 3HG LYS 54 14.227 -3.764 -0.196 562 1HD LYS 54 2HD LYS 54 12.376 -4.673 -1.284 563 2HD LYS 54 3HD LYS 54 13.571 -5.907 -1.622 564 1HE LYS 54 2HE LYS 54 11.741 -7.169 -0.871 565 2HE LYS 54 3HE LYS 54 12.728 -7.036 0.576 566 1HZ LYS 54 1HZ LYS 54 11.005 -4.809 0.418 567 2HZ LYS 54 2HZ LYS 54 10.080 -6.223 0.208 568 3HZ LYS 54 3HZ LYS 54 11.043 -6.017 1.608 569 QB LYS 54 QB LYS 54 15.361 -6.164 0.037 570 QG LYS 54 QG LYS 54 13.870 -4.220 0.465 571 QD LYS 54 QD LYS 54 12.973 -5.290 -1.453 572 QE LYS 54 QE LYS 54 12.235 -7.103 -0.147 573 QZ LYS 54 QZ LYS 54 10.709 -5.683 0.745 574 HA PRO 55 HA PRO 55 18.802 -1.820 -0.405 575 1HB PRO 55 2HB PRO 55 19.990 -2.745 -2.724 576 2HB PRO 55 3HB PRO 55 20.646 -3.021 -1.105 577 1HG PRO 55 2HG PRO 55 19.036 -4.879 -2.856 578 2HG PRO 55 3HG PRO 55 20.403 -5.261 -1.797 579 1HD PRO 55 2HD PRO 55 17.786 -5.743 -1.100 580 2HD PRO 55 3HD PRO 55 19.046 -5.383 0.102 581 QB PRO 55 QB PRO 55 20.318 -2.883 -1.914 582 QG PRO 55 QG PRO 55 19.719 -5.070 -2.327 583 QD PRO 55 QD PRO 55 18.416 -5.563 -0.499 584 H VAL 56 HN VAL 56 16.834 -0.759 -0.867 585 HA VAL 56 HA VAL 56 15.846 -0.928 -3.638 586 HB VAL 56 HB VAL 56 14.081 0.677 -2.662 587 1HG1 VAL 56 2HG1 VAL 56 14.450 -2.111 -1.494 588 2HG1 VAL 56 3HG1 VAL 56 12.936 -1.230 -1.546 589 3HG1 VAL 56 1HG1 VAL 56 13.699 -1.741 -3.039 590 1HG2 VAL 56 2HG2 VAL 56 15.477 1.341 -0.707 591 2HG2 VAL 56 3HG2 VAL 56 13.921 0.686 -0.224 592 3HG2 VAL 56 1HG2 VAL 56 15.356 -0.309 -0.093 593 QG1 VAL 56 QG1 VAL 56 13.695 -1.694 -2.026 594 QG2 VAL 56 QG2 VAL 56 14.918 0.572 -0.341 595 QQG VAL 56 QQG VAL 56 14.306 -0.561 -1.184 596 H GLU 57 HN GLU 57 15.077 1.456 -4.323 597 HA GLU 57 HA GLU 57 17.558 3.108 -4.254 598 1HB GLU 57 2HB GLU 57 16.986 2.290 -6.505 599 2HB GLU 57 3HB GLU 57 15.360 2.948 -6.371 600 1HG GLU 57 2HG GLU 57 16.753 4.494 -7.672 601 2HG GLU 57 3HG GLU 57 16.379 5.246 -6.133 602 QB GLU 57 QB GLU 57 16.173 2.619 -6.438 603 QG GLU 57 QG GLU 57 16.566 4.870 -6.903 604 H THR 58 HN THR 58 14.140 3.737 -4.981 605 HA THR 58 HA THR 58 14.072 5.816 -2.868 606 HB THR 58 HB THR 58 12.929 7.326 -4.713 607 HG1 THR 58 1HG THR 58 14.649 5.670 -6.270 608 1HG2 THR 58 2HG2 THR 58 15.929 6.737 -4.918 609 2HG2 THR 58 3HG2 THR 58 15.127 8.196 -5.491 610 3HG2 THR 58 1HG2 THR 58 15.211 7.851 -3.768 611 QG2 THR 58 QG2 THR 58 15.423 7.594 -4.726 612 H VAL 59 HN VAL 59 12.264 4.749 -5.583 613 HA VAL 59 HA VAL 59 9.922 3.988 -3.880 614 HB VAL 59 HB VAL 59 8.436 4.917 -5.685 615 1HG1 VAL 59 2HG1 VAL 59 9.017 6.312 -3.714 616 2HG1 VAL 59 3HG1 VAL 59 10.414 6.943 -4.588 617 3HG1 VAL 59 1HG1 VAL 59 8.784 7.286 -5.161 618 1HG2 VAL 59 3HG2 VAL 59 11.054 5.930 -6.829 619 2HG2 VAL 59 1HG2 VAL 59 10.021 4.708 -7.556 620 3HG2 VAL 59 2HG2 VAL 59 9.450 6.366 -7.411 621 QG1 VAL 59 QG1 VAL 59 9.405 6.847 -4.488 622 QG2 VAL 59 QG2 VAL 59 10.175 5.668 -7.266 623 QQG VAL 59 QQG VAL 59 9.790 6.257 -5.877 624 HA PRO 60 HA PRO 60 7.736 3.436 -4.765 625 1HB PRO 60 2HB PRO 60 6.251 1.114 -5.073 626 2HB PRO 60 3HB PRO 60 6.226 2.461 -6.218 627 1HG PRO 60 2HG PRO 60 7.696 -0.162 -6.397 628 2HG PRO 60 3HG PRO 60 6.947 0.771 -7.698 629 1HD PRO 60 2HD PRO 60 9.670 0.737 -7.205 630 2HD PRO 60 3HD PRO 60 8.844 2.107 -7.973 631 QB PRO 60 QB PRO 60 6.239 1.788 -5.646 632 QG PRO 60 QG PRO 60 7.322 0.305 -7.048 633 QD PRO 60 QD PRO 60 9.257 1.422 -7.589 634 H GLN 61 HN GLN 61 7.386 3.144 -2.605 635 HA GLN 61 HA GLN 61 8.481 0.640 -1.363 636 1HB GLN 61 2HB GLN 61 8.691 3.504 -0.364 637 2HB GLN 61 3HB GLN 61 9.165 2.091 0.566 638 1HG GLN 61 2HG GLN 61 10.320 2.295 -2.177 639 2HG GLN 61 3HG GLN 61 10.899 3.464 -1.005 640 1HE2 GLN 61 2HE2 GLN 61 11.742 -0.505 -0.456 641 2HE2 GLN 61 1HE2 GLN 61 10.535 -0.045 -1.567 642 QB GLN 61 QB GLN 61 8.928 2.797 0.101 643 QG GLN 61 QG GLN 61 10.609 2.879 -1.591 644 QE2 GLN 61 QE2 GLN 61 11.138 -0.275 -1.011 645 H ILE 62 HN ILE 62 6.963 -0.425 -0.274 646 HA ILE 62 HA ILE 62 4.607 1.136 0.728 647 HB ILE 62 HB ILE 62 4.651 -1.696 -0.393 648 1HG1 ILE 62 2HG1 ILE 62 2.908 -0.478 -1.963 649 2HG1 ILE 62 3HG1 ILE 62 3.709 0.987 -1.418 650 1HG2 ILE 62 1HG2 ILE 62 2.361 -0.043 0.755 651 2HG2 ILE 62 2HG2 ILE 62 2.178 -1.589 -0.068 652 3HG2 ILE 62 3HG2 ILE 62 3.038 -1.507 1.468 653 1HD1 ILE 62 1HD1 ILE 62 5.089 -1.378 -2.709 654 2HD1 ILE 62 2HD1 ILE 62 4.714 0.155 -3.503 655 3HD1 ILE 62 3HD1 ILE 62 5.880 0.101 -2.196 656 QG1 ILE 62 QG1 ILE 62 3.309 0.255 -1.690 657 QG2 ILE 62 QG2 ILE 62 2.526 -1.046 0.718 658 QD1 ILE 62 QD1 ILE 62 5.227 -0.374 -2.803 659 H PHE 63 HN PHE 63 3.838 0.735 2.617 660 HA PHE 63 HA PHE 63 5.179 -1.264 4.390 661 1HB PHE 63 2HB PHE 63 4.658 1.682 4.883 662 2HB PHE 63 3HB PHE 63 4.822 0.553 6.226 663 HD1 PHE 63 2HD PHE 63 6.627 1.450 3.027 664 HD2 PHE 63 1HD PHE 63 6.963 0.213 7.090 665 HE1 PHE 63 2HE PHE 63 9.076 1.478 2.837 666 HE2 PHE 63 1HE PHE 63 9.413 0.273 6.903 667 HZ PHE 63 HZ PHE 63 10.468 0.892 4.773 668 QB PHE 63 QB PHE 63 4.740 1.118 5.554 669 QR PHE 63 QR PHE 63 8.020 0.854 4.964 670 H VAL 64 HN VAL 64 3.848 -1.750 6.313 671 HA VAL 64 HA VAL 64 0.917 -1.340 5.903 672 HB VAL 64 HB VAL 64 2.347 -3.999 6.329 673 1HG1 VAL 64 2HG1 VAL 64 -0.633 -3.401 6.205 674 2HG1 VAL 64 3HG1 VAL 64 0.084 -5.006 6.283 675 3HG1 VAL 64 1HG1 VAL 64 0.249 -3.909 7.646 676 1HG2 VAL 64 1HG2 VAL 64 2.332 -3.131 3.986 677 2HG2 VAL 64 2HG2 VAL 64 1.349 -4.583 4.152 678 3HG2 VAL 64 3HG2 VAL 64 0.578 -3.003 4.064 679 QG1 VAL 64 QG1 VAL 64 -0.100 -4.105 6.711 680 QG2 VAL 64 QG2 VAL 64 1.420 -3.572 4.067 681 QQG VAL 64 QQG VAL 64 0.660 -3.839 5.389 682 H ASP 65 HN ASP 65 0.055 -0.651 7.837 683 HA ASP 65 HA ASP 65 -0.063 -0.198 10.135 684 1HB ASP 65 2HB ASP 65 0.847 -3.091 10.112 685 2HB ASP 65 3HB ASP 65 0.358 -2.262 11.578 686 QB ASP 65 QB ASP 65 0.602 -2.677 10.845 687 H GLN 66 HN GLN 66 2.382 -2.423 10.877 688 HA GLN 66 HA GLN 66 4.384 -0.295 11.421 689 1HB GLN 66 2HB GLN 66 4.943 -1.532 13.555 690 2HB GLN 66 3HB GLN 66 3.337 -0.814 13.551 691 1HG GLN 66 2HG GLN 66 2.335 -2.997 12.972 692 2HG GLN 66 3HG GLN 66 3.935 -3.719 12.848 693 1HE2 GLN 66 2HE2 GLN 66 2.174 -3.635 16.409 694 2HE2 GLN 66 1HE2 GLN 66 1.350 -3.348 14.955 695 QB GLN 66 QB GLN 66 4.140 -1.173 13.553 696 QG GLN 66 QG GLN 66 3.135 -3.358 12.910 697 QE2 GLN 66 QE2 GLN 66 1.762 -3.492 15.682 698 H GLN 67 HN GLN 67 4.112 -2.373 9.287 699 HA GLN 67 HA GLN 67 6.747 -3.701 9.597 700 1HB GLN 67 2HB GLN 67 4.076 -4.677 8.540 701 2HB GLN 67 3HB GLN 67 5.572 -5.467 8.110 702 1HG GLN 67 2HG GLN 67 6.064 -5.927 10.466 703 2HG GLN 67 3HG GLN 67 4.673 -4.977 10.965 704 1HE2 GLN 67 2HE2 GLN 67 2.595 -7.800 10.838 705 2HE2 GLN 67 1HE2 GLN 67 2.925 -6.276 11.512 706 QB GLN 67 QB GLN 67 4.824 -5.072 8.325 707 QG GLN 67 QG GLN 67 5.369 -5.452 10.715 708 QE2 GLN 67 QE2 GLN 67 2.760 -7.038 11.175 709 H HIS 68 HN HIS 68 7.626 -4.364 7.413 710 HA HIS 68 HA HIS 68 7.024 -2.280 5.335 711 1HB HIS 68 2HB HIS 68 9.247 -1.882 6.088 712 2HB HIS 68 3HB HIS 68 9.614 -3.581 6.185 713 HD1 HIS 68 HD1 HIS 68 11.183 -4.138 4.444 714 HD2 HIS 68 HD2 HIS 68 8.506 -1.363 2.986 715 HE1 HIS 68 HE1 HIS 68 11.709 -3.843 2.010 716 QB HIS 68 QB HIS 68 9.431 -2.731 6.136 717 H ILE 69 HN ILE 69 6.812 -3.028 3.176 718 HA ILE 69 HA ILE 69 6.786 -6.018 2.938 719 HB ILE 69 HB ILE 69 5.281 -4.058 1.168 720 1HG1 ILE 69 2HG1 ILE 69 4.445 -3.668 3.420 721 2HG1 ILE 69 3HG1 ILE 69 3.268 -4.633 2.548 722 1HG2 ILE 69 1HG2 ILE 69 4.950 -7.026 1.745 723 2HG2 ILE 69 2HG2 ILE 69 3.885 -6.068 0.720 724 3HG2 ILE 69 3HG2 ILE 69 5.561 -6.313 0.260 725 1HD1 ILE 69 2HD1 ILE 69 5.324 -5.756 4.497 726 2HD1 ILE 69 3HD1 ILE 69 3.627 -5.499 4.856 727 3HD1 ILE 69 1HD1 ILE 69 4.096 -6.683 3.655 728 QG1 ILE 69 QG1 ILE 69 3.857 -4.150 2.984 729 QG2 ILE 69 QG2 ILE 69 4.799 -6.469 0.908 730 QD1 ILE 69 QD1 ILE 69 4.349 -5.979 4.336 731 H GLY 70 HN GLY 70 7.339 -3.082 1.014 732 1HA GLY 70 1HA GLY 70 9.779 -3.298 -0.014 733 2HA GLY 70 2HA GLY 70 9.054 -4.675 -0.829 734 QA GLY 70 QA GLY 70 9.416 -3.986 -0.422 735 H GLY 71 HN GLY 71 8.653 -4.136 -2.910 736 1HA GLY 71 1HA GLY 71 7.636 -1.357 -3.417 737 2HA GLY 71 2HA GLY 71 8.580 -2.277 -4.583 738 QA GLY 71 QA GLY 71 8.108 -1.817 -4.000 739 OH TYR 72 OH TYR 72 -0.279 -4.575 -9.313 740 H TYR 72 HN TYR 72 6.537 -1.560 -5.853 741 HA TYR 72 HA TYR 72 3.980 -2.581 -5.471 742 1HB TYR 72 2HB TYR 72 4.570 -1.230 -7.474 743 2HB TYR 72 3HB TYR 72 5.426 -2.617 -8.149 744 HD1 TYR 72 HD2 TYR 72 2.088 -1.888 -6.561 745 HD2 TYR 72 HD1 TYR 72 4.188 -3.934 -9.653 746 HE1 TYR 72 HE2 TYR 72 -0.012 -2.917 -7.312 747 HE2 TYR 72 HE1 TYR 72 2.083 -4.929 -10.417 748 HH TYR 72 HH TYR 72 -0.352 -5.424 -8.864 749 QB TYR 72 QB TYR 72 4.998 -1.923 -7.811 750 QR TYR 72 QR TYR 72 2.087 -3.417 -8.486 751 H THR 73 HN THR 73 6.802 -4.335 -6.662 752 HA THR 73 HA THR 73 5.570 -6.779 -7.351 753 HB THR 73 HB THR 73 7.999 -7.646 -6.594 754 HG1 THR 73 1HG THR 73 8.742 -6.013 -5.350 755 1HG2 THR 73 1HG2 THR 73 7.777 -5.334 -8.585 756 2HG2 THR 73 2HG2 THR 73 9.045 -6.553 -8.549 757 3HG2 THR 73 3HG2 THR 73 7.399 -7.003 -8.999 758 QG2 THR 73 QG2 THR 73 8.074 -6.297 -8.711 759 H ASP 74 HN ASP 74 7.265 -6.063 -4.356 760 HA ASP 74 HA ASP 74 6.468 -8.316 -2.862 761 1HB ASP 74 2HB ASP 74 6.883 -5.531 -1.716 762 2HB ASP 74 3HB ASP 74 7.099 -7.059 -0.883 763 QB ASP 74 QB ASP 74 6.991 -6.295 -1.299 764 H PHE 75 HN PHE 75 4.981 -5.123 -3.074 765 HA PHE 75 HA PHE 75 2.856 -5.626 -1.247 766 1HB PHE 75 2HB PHE 75 3.470 -3.351 -2.088 767 2HB PHE 75 3HB PHE 75 2.779 -3.773 -3.654 768 HD1 PHE 75 2HD PHE 75 1.799 -4.088 -0.035 769 HD2 PHE 75 1HD PHE 75 0.564 -3.033 -3.974 770 HE1 PHE 75 2HE PHE 75 -0.463 -3.640 0.790 771 HE2 PHE 75 1HE PHE 75 -1.684 -2.536 -3.130 772 HZ PHE 75 HZ PHE 75 -2.198 -2.842 -0.741 773 QB PHE 75 QB PHE 75 3.125 -3.562 -2.871 774 QR PHE 75 QR PHE 75 0.054 -3.324 -1.587 775 H ALA 76 HN ALA 76 2.849 -5.919 -4.813 776 HA ALA 76 HA ALA 76 0.174 -6.719 -5.122 777 1HB ALA 76 2HB ALA 76 1.690 -6.273 -7.030 778 2HB ALA 76 3HB ALA 76 2.601 -7.727 -6.653 779 3HB ALA 76 1HB ALA 76 0.928 -7.851 -7.200 780 QB ALA 76 QB ALA 76 1.740 -7.284 -6.961 781 H ALA 77 HN ALA 77 3.031 -8.811 -4.765 782 HA ALA 77 HA ALA 77 1.556 -11.259 -4.518 783 1HB ALA 77 2HB ALA 77 4.300 -10.523 -3.386 784 2HB ALA 77 3HB ALA 77 3.665 -12.164 -3.519 785 3HB ALA 77 1HB ALA 77 3.989 -11.223 -4.972 786 QB ALA 77 QB ALA 77 3.985 -11.303 -3.959 787 CH2 TRP 78 CH2 TRP 78 -0.733 -6.205 3.937 788 H TRP 78 HN TRP 78 3.059 -9.243 -2.004 789 HA TRP 78 HA TRP 78 2.279 -10.573 0.312 790 1HB TRP 78 2HB TRP 78 3.609 -8.501 0.271 791 2HB TRP 78 3HB TRP 78 2.201 -7.594 -0.206 792 HD1 TRP 78 HD1 TRP 78 3.700 -9.358 2.892 793 HE1 TRP 78 HE1 TRP 78 2.476 -8.621 4.942 794 HE3 TRP 78 HE3 TRP 78 0.156 -6.629 0.685 795 HZ2 TRP 78 HZ2 TRP 78 0.277 -7.037 5.625 796 HZ3 TRP 78 HZ3 TRP 78 -1.541 -5.497 2.092 797 HH2 TRP 78 HH2 TRP 78 -1.474 -5.702 4.539 798 QB TRP 78 QB TRP 78 2.905 -8.047 0.032 799 H VAL 79 HN VAL 79 0.407 -8.244 -1.563 800 HA VAL 79 HA VAL 79 -1.951 -8.389 0.023 801 HB VAL 79 HB VAL 79 -1.434 -7.679 -2.890 802 1HG1 VAL 79 2HG1 VAL 79 -4.106 -7.668 -1.439 803 2HG1 VAL 79 3HG1 VAL 79 -3.810 -6.888 -2.987 804 3HG1 VAL 79 1HG1 VAL 79 -3.696 -8.632 -2.845 805 1HG2 VAL 79 2HG2 VAL 79 -2.308 -6.050 -0.480 806 2HG2 VAL 79 3HG2 VAL 79 -0.715 -6.035 -1.219 807 3HG2 VAL 79 1HG2 VAL 79 -2.100 -5.413 -2.110 808 QG1 VAL 79 QG1 VAL 79 -3.871 -7.729 -2.424 809 QG2 VAL 79 QG2 VAL 79 -1.708 -5.833 -1.270 810 QQG VAL 79 QQG VAL 79 -2.789 -6.781 -1.847 811 H LYS 80 HN LYS 80 -1.376 -9.797 -3.153 812 HA LYS 80 HA LYS 80 -3.641 -11.373 -3.328 813 1HB LYS 80 2HB LYS 80 -1.644 -10.945 -4.998 814 2HB LYS 80 3HB LYS 80 -1.060 -12.489 -4.386 815 1HG LYS 80 2HG LYS 80 -3.857 -12.815 -4.809 816 2HG LYS 80 3HG LYS 80 -3.273 -11.950 -6.216 817 1HD LYS 80 2HD LYS 80 -2.182 -13.776 -7.027 818 2HD LYS 80 3HD LYS 80 -1.507 -14.184 -5.460 819 1HE LYS 80 2HE LYS 80 -4.361 -14.749 -6.337 820 2HE LYS 80 3HE LYS 80 -3.063 -15.940 -6.237 821 1HZ LYS 80 1HZ LYS 80 -3.192 -14.571 -3.800 822 2HZ LYS 80 2HZ LYS 80 -4.763 -15.075 -4.177 823 3HZ LYS 80 3HZ LYS 80 -3.475 -16.202 -4.096 824 QB LYS 80 QB LYS 80 -1.352 -11.717 -4.692 825 QG LYS 80 QG LYS 80 -3.565 -12.383 -5.513 826 QD LYS 80 QD LYS 80 -1.845 -13.980 -6.244 827 QE LYS 80 QE LYS 80 -3.712 -15.345 -6.287 828 QZ LYS 80 QZ LYS 80 -3.810 -15.283 -4.024 829 H GLU 81 HN GLU 81 -0.700 -12.382 -1.551 830 HA GLU 81 HA GLU 81 -2.111 -14.966 -1.040 831 1HB GLU 81 2HB GLU 81 0.713 -14.097 -1.061 832 2HB GLU 81 3HB GLU 81 0.309 -15.268 0.188 833 1HG GLU 81 2HG GLU 81 1.020 -16.296 -2.036 834 2HG GLU 81 3HG GLU 81 -0.546 -16.841 -1.447 835 QB GLU 81 QB GLU 81 0.511 -14.683 -0.436 836 QG GLU 81 QG GLU 81 0.237 -16.569 -1.741 837 H ASN 82 HN ASN 82 -2.348 -12.155 0.448 838 HA ASN 82 HA ASN 82 -2.581 -13.457 3.139 839 1HB ASN 82 2HB ASN 82 -1.502 -10.707 2.484 840 2HB ASN 82 3HB ASN 82 -2.122 -11.111 4.081 841 1HD2 ASN 82 2HD2 ASN 82 1.562 -12.287 3.041 842 2HD2 ASN 82 1HD2 ASN 82 0.620 -11.233 2.094 843 QB ASN 82 QB ASN 82 -1.812 -10.909 3.282 844 QD2 ASN 82 QD2 ASN 82 1.091 -11.760 2.567 845 H LEU 83 HN LEU 83 -3.766 -11.073 0.853 846 HA LEU 83 HA LEU 83 -6.249 -10.794 2.505 847 1HB LEU 83 2HB LEU 83 -5.562 -9.030 0.157 848 2HB LEU 83 3HB LEU 83 -6.617 -8.682 1.514 849 HG LEU 83 HG LEU 83 -3.590 -8.974 1.702 850 1HD1 LEU 83 2HD1 LEU 83 -5.385 -6.524 1.721 851 2HD1 LEU 83 3HD1 LEU 83 -3.655 -6.519 2.051 852 3HD1 LEU 83 1HD1 LEU 83 -4.240 -6.970 0.460 853 1HD2 LEU 83 2HD2 LEU 83 -5.652 -8.050 3.744 854 2HD2 LEU 83 3HD2 LEU 83 -4.749 -9.561 3.811 855 3HD2 LEU 83 1HD2 LEU 83 -3.903 -8.024 3.978 856 QB LEU 83 QB LEU 83 -6.090 -8.856 0.835 857 QD1 LEU 83 QD1 LEU 83 -4.427 -6.671 1.411 858 QD2 LEU 83 QD2 LEU 83 -4.768 -8.545 3.844 859 QQD LEU 83 QQD LEU 83 -4.597 -7.608 2.627 860 H ASP 84 HN ASP 84 -5.389 -12.940 0.528 861 HA ASP 84 HA ASP 84 -7.116 -12.664 -1.779 862 1HB ASP 84 2HB ASP 84 -5.133 -14.333 -1.369 863 2HB ASP 84 3HB ASP 84 -6.342 -15.327 -0.585 864 QB ASP 84 QB ASP 84 -5.738 -14.830 -0.977 865 H ALA 85 HN ALA 85 -7.458 -13.480 1.444 866 HA ALA 85 HA ALA 85 -10.306 -14.286 1.113 867 1HB ALA 85 3HB ALA 85 -8.860 -16.028 2.210 868 2HB ALA 85 1HB ALA 85 -8.399 -14.841 3.431 869 3HB ALA 85 2HB ALA 85 -10.069 -15.385 3.322 870 QB ALA 85 QB ALA 85 -9.109 -15.418 2.988 Start of MODEL 11 Raw file had 870 H/Q atoms Start of MODEL 11 1 H MET 1 HN MET 1 -7.114 -4.150 6.183 2 HA MET 1 HA MET 1 -5.276 -4.042 8.320 3 1HB MET 1 2HB MET 1 -4.214 -5.147 5.703 4 2HB MET 1 3HB MET 1 -3.182 -4.345 6.884 5 1HG MET 1 2HG MET 1 -3.348 -6.883 7.069 6 2HG MET 1 3HG MET 1 -3.581 -5.963 8.530 7 1HE MET 1 2HE MET 1 -4.866 -7.744 5.686 8 2HE MET 1 3HE MET 1 -5.263 -9.135 6.693 9 3HE MET 1 1HE MET 1 -6.551 -8.158 5.978 10 QB MET 1 QB MET 1 -3.698 -4.746 6.293 11 QG MET 1 QG MET 1 -3.464 -6.423 7.800 12 QE MET 1 QE MET 1 -5.560 -8.345 6.119 13 H GLN 2 HN GLN 2 -3.624 -2.356 7.799 14 HA GLN 2 HA GLN 2 -4.851 -0.167 6.292 15 1HB GLN 2 2HB GLN 2 -2.702 -0.209 8.424 16 2HB GLN 2 3HB GLN 2 -3.477 1.212 7.780 17 1HG GLN 2 2HG GLN 2 -4.625 0.804 9.826 18 2HG GLN 2 3HG GLN 2 -5.708 0.157 8.601 19 1HE2 GLN 2 2HE2 GLN 2 -3.657 -2.494 10.977 20 2HE2 GLN 2 1HE2 GLN 2 -3.069 -0.914 10.804 21 QB GLN 2 QB GLN 2 -3.089 0.502 8.102 22 QG GLN 2 QG GLN 2 -5.166 0.481 9.214 23 QE2 GLN 2 QE2 GLN 2 -3.363 -1.704 10.890 24 H THR 3 HN THR 3 -3.991 -0.213 4.221 25 HA THR 3 HA THR 3 -1.120 -0.956 3.913 26 HB THR 3 HB THR 3 -3.274 -0.517 1.778 27 HG1 THR 3 1HG THR 3 -3.858 -2.340 2.745 28 1HG2 THR 3 3HG2 THR 3 -0.588 -1.981 1.706 29 2HG2 THR 3 1HG2 THR 3 -1.714 -1.814 0.364 30 3HG2 THR 3 2HG2 THR 3 -0.858 -0.403 0.970 31 QG2 THR 3 QG2 THR 3 -1.053 -1.399 1.013 32 H VAL 4 HN VAL 4 0.314 0.608 3.840 33 HA VAL 4 HA VAL 4 -0.528 3.340 2.925 34 HB VAL 4 HB VAL 4 1.774 2.569 4.766 35 1HG1 VAL 4 3HG1 VAL 4 0.585 5.268 4.021 36 2HG1 VAL 4 1HG1 VAL 4 1.844 5.020 5.222 37 3HG1 VAL 4 2HG1 VAL 4 2.164 4.663 3.532 38 1HG2 VAL 4 2HG2 VAL 4 -0.430 2.172 5.850 39 2HG2 VAL 4 3HG2 VAL 4 0.442 3.502 6.602 40 3HG2 VAL 4 1HG2 VAL 4 -0.882 3.831 5.499 41 QG1 VAL 4 QG1 VAL 4 1.531 4.984 4.258 42 QG2 VAL 4 QG2 VAL 4 -0.290 3.168 5.984 43 QQG VAL 4 QQG VAL 4 0.620 4.076 5.121 44 H ILE 5 HN ILE 5 0.686 4.295 1.336 45 HA ILE 5 HA ILE 5 3.066 2.767 0.312 46 HB ILE 5 HB ILE 5 1.492 4.880 -1.210 47 1HG1 ILE 5 2HG1 ILE 5 -0.039 3.001 -0.855 48 2HG1 ILE 5 3HG1 ILE 5 0.469 3.079 -2.537 49 1HG2 ILE 5 2HG2 ILE 5 3.536 2.806 -2.067 50 2HG2 ILE 5 3HG2 ILE 5 2.673 3.873 -3.170 51 3HG2 ILE 5 1HG2 ILE 5 3.782 4.548 -1.980 52 1HD1 ILE 5 1HD1 ILE 5 1.685 1.236 -0.447 53 2HD1 ILE 5 2HD1 ILE 5 0.527 0.748 -1.678 54 3HD1 ILE 5 3HD1 ILE 5 2.128 1.299 -2.151 55 QG1 ILE 5 QG1 ILE 5 0.215 3.040 -1.696 56 QG2 ILE 5 QG2 ILE 5 3.331 3.742 -2.406 57 QD1 ILE 5 QD1 ILE 5 1.447 1.094 -1.426 58 H PHE 6 HN PHE 6 4.963 3.809 0.395 59 HA PHE 6 HA PHE 6 4.998 6.733 1.064 60 1HB PHE 6 2HB PHE 6 6.423 4.390 2.247 61 2HB PHE 6 3HB PHE 6 7.415 5.817 1.975 62 HD1 PHE 6 1HD PHE 6 6.672 8.030 2.979 63 HD2 PHE 6 2HD PHE 6 4.823 4.340 4.041 64 HE1 PHE 6 1HE PHE 6 5.751 9.074 4.997 65 HE2 PHE 6 2HE PHE 6 3.896 5.389 6.061 66 HZ PHE 6 HZ PHE 6 4.365 7.753 6.553 67 QB PHE 6 QB PHE 6 6.919 5.103 2.111 68 QR PHE 6 QR PHE 6 5.286 6.708 4.520 69 H GLY 7 HN GLY 7 5.028 7.045 -1.243 70 1HA GLY 7 1HA GLY 7 7.748 6.832 -2.353 71 2HA GLY 7 2HA GLY 7 6.496 5.980 -3.249 72 QA GLY 7 QA GLY 7 7.122 6.406 -2.801 73 NH1 ARG 8 NH1 ARG 8 4.192 11.735 -5.762 74 NH2 ARG 8 NH2 ARG 8 4.350 12.073 -8.034 75 H ARG 8 HN ARG 8 7.580 7.617 -4.759 76 HA ARG 8 HA ARG 8 5.940 10.113 -4.815 77 1HB ARG 8 2HB ARG 8 8.318 10.636 -4.394 78 2HB ARG 8 3HB ARG 8 8.798 9.654 -5.768 79 1HG ARG 8 2HG ARG 8 8.842 11.967 -6.461 80 2HG ARG 8 3HG ARG 8 7.481 11.199 -7.262 81 1HD ARG 8 2HD ARG 8 6.470 12.147 -4.785 82 2HD ARG 8 3HD ARG 8 7.499 13.429 -5.382 83 HE ARG 8 HE ARG 8 5.989 13.810 -7.172 84 1HH1 ARG 8 2HH1 ARG 8 4.561 11.897 -4.833 85 2HH1 ARG 8 1HH1 ARG 8 3.367 11.170 -5.859 86 1HH2 ARG 8 2HH2 ARG 8 4.814 12.516 -8.804 87 2HH2 ARG 8 1HH2 ARG 8 3.560 11.479 -8.221 88 QB ARG 8 QB ARG 8 8.558 10.145 -5.081 89 QG ARG 8 QG ARG 8 8.162 11.583 -6.862 90 QD ARG 8 QD ARG 8 6.984 12.788 -5.084 91 QH1 ARG 8 QH1 ARG 8 3.964 11.533 -5.346 92 QH2 ARG 8 QH2 ARG 8 4.187 11.997 -8.512 93 H SER 9 HN SER 9 4.331 9.206 -6.115 94 HA SER 9 HA SER 9 4.985 7.598 -8.445 95 1HB SER 9 2HB SER 9 2.751 7.593 -7.088 96 2HB SER 9 3HB SER 9 2.310 8.981 -8.093 97 HG SER 9 HG SER 9 2.621 7.791 -9.912 98 QB SER 9 QB SER 9 2.530 8.287 -7.591 99 H GLY 10 HN GLY 10 6.561 9.252 -9.260 100 1HA GLY 10 1HA GLY 10 6.120 11.731 -10.346 101 2HA GLY 10 2HA GLY 10 7.057 10.523 -11.213 102 QA GLY 10 QA GLY 10 6.588 11.127 -10.780 103 H CYS 11 HN CYS 11 5.249 8.727 -11.959 104 HA CYS 11 HA CYS 11 3.395 10.238 -13.770 105 1HB CYS 11 2HB CYS 11 4.504 7.452 -14.196 106 2HB CYS 11 3HB CYS 11 3.761 8.490 -15.381 107 HG CYS 11 HG CYS 11 5.913 9.679 -15.777 108 QB CYS 11 QB CYS 11 4.133 7.971 -14.788 109 HA PRO 12 HA PRO 12 0.264 7.075 -12.248 110 1HB PRO 12 2HB PRO 12 0.466 5.798 -14.958 111 2HB PRO 12 3HB PRO 12 -0.973 6.164 -13.994 112 1HG PRO 12 2HG PRO 12 -0.293 7.728 -16.102 113 2HG PRO 12 3HG PRO 12 -0.980 8.442 -14.636 114 1HD PRO 12 2HD PRO 12 1.865 8.449 -15.588 115 2HD PRO 12 3HD PRO 12 0.996 9.686 -14.654 116 QB PRO 12 QB PRO 12 -0.253 5.981 -14.476 117 QG PRO 12 QG PRO 12 -0.636 8.085 -15.369 118 QD PRO 12 QD PRO 12 1.430 9.067 -15.121 119 OH TYR 13 OH TYR 13 8.719 1.560 -9.206 120 H TYR 13 HN TYR 13 2.298 6.547 -11.012 121 HA TYR 13 HA TYR 13 3.387 3.889 -11.829 122 1HB TYR 13 2HB TYR 13 5.102 5.662 -11.923 123 2HB TYR 13 3HB TYR 13 4.743 6.127 -10.269 124 HD1 TYR 13 HD2 TYR 13 5.273 2.753 -11.882 125 HD2 TYR 13 HD1 TYR 13 6.570 5.539 -8.923 126 HE1 TYR 13 HE2 TYR 13 6.969 1.158 -11.114 127 HE2 TYR 13 HE1 TYR 13 8.276 3.938 -8.184 128 HH TYR 13 HH TYR 13 9.516 2.063 -8.996 129 QB TYR 13 QB TYR 13 4.923 5.895 -11.096 130 QR TYR 13 QR TYR 13 6.772 3.347 -10.026 131 H CYS 14 HN CYS 14 3.706 5.605 -8.692 132 HA CYS 14 HA CYS 14 3.014 3.201 -7.234 133 1HB CYS 14 2HB CYS 14 2.539 5.936 -6.062 134 2HB CYS 14 3HB CYS 14 2.990 4.464 -5.256 135 HG CYS 14 HG CYS 14 4.951 6.457 -6.512 136 QB CYS 14 QB CYS 14 2.765 5.200 -5.659 137 H VAL 15 HN VAL 15 1.299 5.784 -8.691 138 HA VAL 15 HA VAL 15 -1.210 5.763 -7.573 139 HB VAL 15 HB VAL 15 -0.683 5.566 -10.567 140 1HG1 VAL 15 3HG1 VAL 15 -3.065 6.663 -9.015 141 2HG1 VAL 15 1HG1 VAL 15 -2.856 6.773 -10.758 142 3HG1 VAL 15 2HG1 VAL 15 -3.068 5.200 -9.995 143 1HG2 VAL 15 1HG2 VAL 15 0.559 7.417 -9.475 144 2HG2 VAL 15 2HG2 VAL 15 -0.723 8.050 -10.491 145 3HG2 VAL 15 3HG2 VAL 15 -0.926 7.992 -8.741 146 QG1 VAL 15 QG1 VAL 15 -2.996 6.212 -9.923 147 QG2 VAL 15 QG2 VAL 15 -0.363 7.820 -9.569 148 QQG VAL 15 QQG VAL 15 -1.680 7.016 -9.746 149 NH1 ARG 16 NH1 ARG 16 -2.808 -0.401 -13.629 150 NH2 ARG 16 NH2 ARG 16 -4.593 0.892 -13.022 151 H ARG 16 HN ARG 16 0.239 3.098 -9.418 152 HA ARG 16 HA ARG 16 -2.278 1.646 -9.619 153 1HB ARG 16 2HB ARG 16 0.557 0.559 -9.780 154 2HB ARG 16 3HB ARG 16 -0.893 -0.268 -10.325 155 1HG ARG 16 2HG ARG 16 0.416 2.200 -11.496 156 2HG ARG 16 3HG ARG 16 0.063 0.680 -12.299 157 1HD ARG 16 2HD ARG 16 -1.901 2.833 -11.456 158 2HD ARG 16 3HD ARG 16 -1.602 2.215 -13.076 159 HE ARG 16 HE ARG 16 -2.959 0.606 -10.920 160 1HH1 ARG 16 2HH1 ARG 16 -1.872 -0.693 -13.435 161 2HH1 ARG 16 1HH1 ARG 16 -3.295 -0.779 -14.412 162 1HH2 ARG 16 2HH2 ARG 16 -4.989 1.522 -12.338 163 2HH2 ARG 16 1HH2 ARG 16 -5.139 0.602 -13.807 164 QB ARG 16 QB ARG 16 -0.168 0.145 -10.053 165 QG ARG 16 QG ARG 16 0.240 1.440 -11.898 166 QD ARG 16 QD ARG 16 -1.752 2.524 -12.266 167 QH1 ARG 16 QH1 ARG 16 -2.584 -0.736 -13.924 168 QH2 ARG 16 QH2 ARG 16 -5.064 1.062 -13.073 169 H ALA 17 HN ALA 17 0.574 1.311 -7.503 170 HA ALA 17 HA ALA 17 -0.389 -0.755 -5.846 171 1HB ALA 17 1HB ALA 17 1.066 1.768 -4.949 172 2HB ALA 17 2HB ALA 17 0.962 0.265 -4.035 173 3HB ALA 17 3HB ALA 17 1.847 0.310 -5.551 174 QB ALA 17 QB ALA 17 1.292 0.781 -4.845 175 H LYS 18 HN LYS 18 -0.955 2.706 -5.789 176 HA LYS 18 HA LYS 18 -2.801 2.846 -3.642 177 1HB LYS 18 2HB LYS 18 -1.758 4.770 -5.054 178 2HB LYS 18 3HB LYS 18 -3.082 4.504 -6.165 179 1HG LYS 18 2HG LYS 18 -3.503 5.029 -3.200 180 2HG LYS 18 3HG LYS 18 -3.446 6.319 -4.387 181 1HD LYS 18 2HD LYS 18 -5.388 3.997 -4.528 182 2HD LYS 18 3HD LYS 18 -5.781 5.536 -3.820 183 1HE LYS 18 2HE LYS 18 -6.039 6.555 -5.829 184 2HE LYS 18 3HE LYS 18 -4.635 5.764 -6.528 185 1HZ LYS 18 1HZ LYS 18 -6.557 3.805 -6.127 186 2HZ LYS 18 2HZ LYS 18 -7.368 5.105 -6.821 187 3HZ LYS 18 3HZ LYS 18 -6.003 4.427 -7.608 188 QB LYS 18 QB LYS 18 -2.420 4.637 -5.609 189 QG LYS 18 QG LYS 18 -3.474 5.674 -3.793 190 QD LYS 18 QD LYS 18 -5.585 4.766 -4.174 191 QE LYS 18 QE LYS 18 -5.337 6.159 -6.178 192 QZ LYS 18 QZ LYS 18 -6.643 4.446 -6.852 193 H ASP 19 HN ASP 19 -3.597 2.620 -7.154 194 HA ASP 19 HA ASP 19 -6.302 2.126 -7.031 195 1HB ASP 19 2HB ASP 19 -4.207 0.740 -8.734 196 2HB ASP 19 3HB ASP 19 -5.915 0.478 -8.969 197 QB ASP 19 QB ASP 19 -5.061 0.609 -8.851 198 H LEU 20 HN LEU 20 -3.874 -0.410 -6.870 199 HA LEU 20 HA LEU 20 -5.513 -2.609 -6.340 200 1HB LEU 20 2HB LEU 20 -3.119 -2.770 -6.843 201 2HB LEU 20 3HB LEU 20 -2.710 -2.010 -5.322 202 HG LEU 20 HG LEU 20 -3.490 -3.923 -4.057 203 1HD1 LEU 20 2HD1 LEU 20 -4.422 -5.057 -6.730 204 2HD1 LEU 20 3HD1 LEU 20 -4.457 -5.911 -5.196 205 3HD1 LEU 20 1HD1 LEU 20 -5.485 -4.508 -5.435 206 1HD2 LEU 20 3HD2 LEU 20 -1.235 -4.053 -5.129 207 2HD2 LEU 20 1HD2 LEU 20 -1.959 -5.648 -4.979 208 3HD2 LEU 20 2HD2 LEU 20 -1.957 -4.823 -6.531 209 QB LEU 20 QB LEU 20 -2.914 -2.390 -6.083 210 QD1 LEU 20 QD1 LEU 20 -4.788 -5.159 -5.787 211 QD2 LEU 20 QD2 LEU 20 -1.717 -4.841 -5.546 212 QQD LEU 20 QQD LEU 20 -3.253 -5.000 -5.667 213 H ALA 21 HN ALA 21 -3.735 -0.755 -3.857 214 HA ALA 21 HA ALA 21 -5.014 -1.942 -1.630 215 1HB ALA 21 2HB ALA 21 -3.026 -0.454 -1.473 216 2HB ALA 21 3HB ALA 21 -4.035 0.928 -1.888 217 3HB ALA 21 1HB ALA 21 -4.301 0.054 -0.382 218 QB ALA 21 QB ALA 21 -3.788 0.176 -1.248 219 H GLU 22 HN GLU 22 -5.813 1.069 -3.263 220 HA GLU 22 HA GLU 22 -8.099 1.901 -1.955 221 1HB GLU 22 2HB GLU 22 -6.929 3.025 -3.863 222 2HB GLU 22 3HB GLU 22 -7.662 1.875 -4.960 223 1HG GLU 22 2HG GLU 22 -9.882 2.687 -4.429 224 2HG GLU 22 3HG GLU 22 -9.245 3.726 -3.159 225 QB GLU 22 QB GLU 22 -7.296 2.450 -4.412 226 QG GLU 22 QG GLU 22 -9.563 3.207 -3.794 227 H LYS 23 HN LYS 23 -8.022 -0.303 -4.727 228 HA LYS 23 HA LYS 23 -10.783 -0.879 -4.729 229 1HB LYS 23 2HB LYS 23 -8.655 -1.657 -6.279 230 2HB LYS 23 3HB LYS 23 -9.005 -3.153 -5.427 231 1HG LYS 23 2HG LYS 23 -10.979 -1.510 -7.068 232 2HG LYS 23 3HG LYS 23 -10.278 -3.045 -7.528 233 1HD LYS 23 2HD LYS 23 -12.237 -3.876 -6.685 234 2HD LYS 23 3HD LYS 23 -11.373 -3.791 -5.165 235 1HE LYS 23 2HE LYS 23 -12.590 -1.969 -4.414 236 2HE LYS 23 3HE LYS 23 -12.829 -1.317 -6.019 237 1HZ LYS 23 1HZ LYS 23 -14.164 -3.817 -5.787 238 2HZ LYS 23 2HZ LYS 23 -14.602 -2.827 -4.474 239 3HZ LYS 23 3HZ LYS 23 -14.829 -2.265 -6.066 240 QB LYS 23 QB LYS 23 -8.830 -2.405 -5.853 241 QG LYS 23 QG LYS 23 -10.628 -2.277 -7.298 242 QD LYS 23 QD LYS 23 -11.805 -3.834 -5.925 243 QE LYS 23 QE LYS 23 -12.710 -1.643 -5.216 244 QZ LYS 23 QZ LYS 23 -14.532 -2.970 -5.442 245 H LEU 24 HN LEU 24 -8.108 -2.684 -3.217 246 HA LEU 24 HA LEU 24 -9.650 -4.675 -1.936 247 1HB LEU 24 2HB LEU 24 -7.171 -3.283 -0.866 248 2HB LEU 24 3HB LEU 24 -7.774 -4.841 -0.323 249 HG LEU 24 HG LEU 24 -6.994 -4.283 -3.212 250 1HD1 LEU 24 3HD1 LEU 24 -5.035 -4.050 -1.713 251 2HD1 LEU 24 1HD1 LEU 24 -5.391 -5.619 -1.004 252 3HD1 LEU 24 2HD1 LEU 24 -4.914 -5.500 -2.691 253 1HD2 LEU 24 1HD2 LEU 24 -7.428 -6.877 -1.690 254 2HD2 LEU 24 2HD2 LEU 24 -8.544 -6.190 -2.866 255 3HD2 LEU 24 3HD2 LEU 24 -6.956 -6.740 -3.381 256 QB LEU 24 QB LEU 24 -7.473 -4.062 -0.595 257 QD1 LEU 24 QD1 LEU 24 -5.113 -5.056 -1.803 258 QD2 LEU 24 QD2 LEU 24 -7.643 -6.602 -2.645 259 QQD LEU 24 QQD LEU 24 -6.378 -5.829 -2.224 260 H SER 25 HN SER 25 -8.868 -1.406 -0.811 261 HA SER 25 HA SER 25 -10.359 -1.724 1.615 262 1HB SER 25 2HB SER 25 -10.184 0.923 1.579 263 2HB SER 25 3HB SER 25 -8.697 -0.023 1.738 264 HG SER 25 HG SER 25 -9.702 0.405 -0.813 265 QB SER 25 QB SER 25 -9.441 0.450 1.658 266 H ASN 26 HN ASN 26 -11.395 -1.417 -1.450 267 HA ASN 26 HA ASN 26 -14.071 -0.362 -0.622 268 1HB ASN 26 2HB ASN 26 -13.108 1.080 -2.317 269 2HB ASN 26 3HB ASN 26 -12.631 -0.293 -3.293 270 1HD2 ASN 26 2HD2 ASN 26 -16.591 0.835 -3.299 271 2HD2 ASN 26 1HD2 ASN 26 -15.613 1.266 -1.981 272 QB ASN 26 QB ASN 26 -12.870 0.393 -2.805 273 QD2 ASN 26 QD2 ASN 26 -16.102 1.050 -2.640 274 H GLU 27 HN GLU 27 -12.934 -2.969 -0.281 275 HA GLU 27 HA GLU 27 -15.043 -4.580 -1.647 276 1HB GLU 27 2HB GLU 27 -12.143 -5.472 -1.346 277 2HB GLU 27 3HB GLU 27 -13.454 -6.434 -2.011 278 1HG GLU 27 2HG GLU 27 -12.761 -3.777 -3.226 279 2HG GLU 27 3HG GLU 27 -11.843 -5.204 -3.651 280 QB GLU 27 QB GLU 27 -12.798 -5.953 -1.678 281 QG GLU 27 QG GLU 27 -12.302 -4.491 -3.438 282 NH1 ARG 28 NH1 ARG 28 -9.770 -7.307 4.748 283 NH2 ARG 28 NH2 ARG 28 -11.100 -9.049 5.307 284 H ARG 28 HN ARG 28 -12.416 -4.610 0.709 285 HA ARG 28 HA ARG 28 -13.964 -6.471 2.416 286 1HB ARG 28 2HB ARG 28 -11.215 -5.308 2.924 287 2HB ARG 28 3HB ARG 28 -11.926 -6.749 3.629 288 1HG ARG 28 2HG ARG 28 -12.093 -7.659 1.209 289 2HG ARG 28 3HG ARG 28 -11.028 -6.334 0.758 290 1HD ARG 28 2HD ARG 28 -9.763 -8.407 1.233 291 2HD ARG 28 3HD ARG 28 -9.329 -7.136 2.368 292 HE ARG 28 HE ARG 28 -10.998 -9.551 2.922 293 1HH1 ARG 28 2HH1 ARG 28 -9.328 -6.770 4.057 294 2HH1 ARG 28 1HH1 ARG 28 -9.684 -7.045 5.714 295 1HH2 ARG 28 2HH2 ARG 28 -11.608 -9.878 5.021 296 2HH2 ARG 28 1HH2 ARG 28 -11.094 -8.751 6.274 297 QB ARG 28 QB ARG 28 -11.571 -6.028 3.277 298 QG ARG 28 QG ARG 28 -11.560 -6.996 0.984 299 QD ARG 28 QD ARG 28 -9.546 -7.772 1.801 300 QH1 ARG 28 QH1 ARG 28 -9.506 -6.907 4.886 301 QH2 ARG 28 QH2 ARG 28 -11.351 -9.314 5.648 302 H ASP 29 HN ASP 29 -13.263 -5.855 4.900 303 HA ASP 29 HA ASP 29 -14.486 -3.176 5.349 304 1HB ASP 29 2HB ASP 29 -15.289 -4.108 7.474 305 2HB ASP 29 3HB ASP 29 -15.792 -5.135 6.141 306 QB ASP 29 QB ASP 29 -15.541 -4.621 6.807 307 H ASP 30 HN ASP 30 -12.043 -5.385 6.770 308 HA ASP 30 HA ASP 30 -10.951 -3.194 8.405 309 1HB ASP 30 2HB ASP 30 -9.348 -4.889 9.181 310 2HB ASP 30 3HB ASP 30 -10.960 -5.594 9.152 311 QB ASP 30 QB ASP 30 -10.154 -5.242 9.166 312 H PHE 31 HN PHE 31 -10.791 -3.569 5.244 313 HA PHE 31 HA PHE 31 -7.872 -3.047 5.012 314 1HB PHE 31 2HB PHE 31 -9.062 -4.877 3.594 315 2HB PHE 31 3HB PHE 31 -9.683 -3.532 2.654 316 HD1 PHE 31 1HD PHE 31 -7.813 -1.718 1.997 317 HD2 PHE 31 2HD PHE 31 -6.989 -5.790 2.909 318 HE1 PHE 31 1HE PHE 31 -5.660 -1.534 0.849 319 HE2 PHE 31 2HE PHE 31 -4.828 -5.596 1.782 320 HZ PHE 31 HZ PHE 31 -4.151 -3.472 0.749 321 QB PHE 31 QB PHE 31 -9.373 -4.205 3.124 322 QR PHE 31 QR PHE 31 -6.323 -3.660 1.885 323 H GLN 32 HN GLN 32 -7.327 -1.065 5.010 324 HA GLN 32 HA GLN 32 -8.860 0.953 3.418 325 1HB GLN 32 2HB GLN 32 -7.878 1.160 6.261 326 2HB GLN 32 3HB GLN 32 -7.957 2.607 5.266 327 1HG GLN 32 2HG GLN 32 -10.055 2.433 6.472 328 2HG GLN 32 3HG GLN 32 -10.392 2.049 4.788 329 1HE2 GLN 32 2HE2 GLN 32 -11.812 -1.002 5.767 330 2HE2 GLN 32 1HE2 GLN 32 -11.757 0.258 4.632 331 QB GLN 32 QB GLN 32 -7.918 1.884 5.764 332 QG GLN 32 QG GLN 32 -10.223 2.241 5.630 333 QE2 GLN 32 QE2 GLN 32 -11.784 -0.372 5.200 334 OH TYR 33 OH TYR 33 -7.916 6.273 -2.045 335 H TYR 33 HN TYR 33 -7.337 2.696 2.587 336 HA TYR 33 HA TYR 33 -4.500 1.747 2.681 337 1HB TYR 33 2HB TYR 33 -4.237 2.014 0.338 338 2HB TYR 33 3HB TYR 33 -5.767 1.157 0.526 339 HD1 TYR 33 HD1 TYR 33 -7.929 2.485 0.415 340 HD2 TYR 33 HD2 TYR 33 -4.169 4.182 -0.636 341 HE1 TYR 33 HE1 TYR 33 -9.076 4.313 -0.738 342 HE2 TYR 33 HE2 TYR 33 -5.323 6.002 -1.796 343 HH TYR 33 HH TYR 33 -8.168 5.939 -2.924 344 QB TYR 33 QB TYR 33 -5.002 1.586 0.432 345 QR TYR 33 QR TYR 33 -6.624 4.246 -0.689 346 H GLN 34 HN GLN 34 -2.932 3.383 2.143 347 HA GLN 34 HA GLN 34 -3.827 6.216 2.390 348 1HB GLN 34 2HB GLN 34 -1.588 4.968 4.023 349 2HB GLN 34 3HB GLN 34 -1.996 6.669 4.011 350 1HG GLN 34 2HG GLN 34 -2.961 5.726 5.994 351 2HG GLN 34 3HG GLN 34 -4.283 6.032 4.879 352 1HE2 GLN 34 2HE2 GLN 34 -5.276 2.672 5.204 353 2HE2 GLN 34 1HE2 GLN 34 -5.720 4.312 5.154 354 QB GLN 34 QB GLN 34 -1.792 5.818 4.017 355 QG GLN 34 QG GLN 34 -3.622 5.879 5.437 356 QE2 GLN 34 QE2 GLN 34 -5.498 3.492 5.179 357 OH TYR 35 OH TYR 35 3.244 9.992 -4.039 358 H TYR 35 HN TYR 35 -2.409 7.700 1.472 359 HA TYR 35 HA TYR 35 -0.002 6.569 0.090 360 1HB TYR 35 2HB TYR 35 -1.648 7.031 -1.665 361 2HB TYR 35 3HB TYR 35 -1.967 8.632 -0.994 362 HD1 TYR 35 HD2 TYR 35 0.731 6.537 -2.520 363 HD2 TYR 35 HD1 TYR 35 -0.522 10.491 -1.543 364 HE1 TYR 35 HE2 TYR 35 2.644 7.450 -3.748 365 HE2 TYR 35 HE1 TYR 35 1.423 11.390 -2.736 366 HH TYR 35 HH TYR 35 3.966 10.172 -3.386 367 QB TYR 35 QB TYR 35 -1.807 7.831 -1.329 368 QR TYR 35 QR TYR 35 1.069 8.967 -2.637 369 H VAL 36 HN VAL 36 1.704 7.432 1.107 370 HA VAL 36 HA VAL 36 1.522 10.281 2.022 371 HB VAL 36 HB VAL 36 3.350 8.117 3.142 372 1HG1 VAL 36 1HG1 VAL 36 2.409 10.802 4.223 373 2HG1 VAL 36 2HG1 VAL 36 3.452 9.676 5.081 374 3HG1 VAL 36 3HG1 VAL 36 4.020 10.448 3.603 375 1HG2 VAL 36 3HG2 VAL 36 0.633 8.996 4.193 376 2HG2 VAL 36 1HG2 VAL 36 0.994 7.425 3.486 377 3HG2 VAL 36 2HG2 VAL 36 1.734 7.893 5.012 378 QG1 VAL 36 QG1 VAL 36 3.293 10.309 4.302 379 QG2 VAL 36 QG2 VAL 36 1.120 8.105 4.230 380 QQG VAL 36 QQG VAL 36 2.207 9.207 4.266 381 H ASP 37 HN ASP 37 3.673 11.453 1.772 382 HA ASP 37 HA ASP 37 5.239 10.185 -0.456 383 1HB ASP 37 2HB ASP 37 3.650 12.141 -1.135 384 2HB ASP 37 3HB ASP 37 4.827 13.168 -0.327 385 QB ASP 37 QB ASP 37 4.238 12.654 -0.731 386 H ILE 38 HN ILE 38 7.382 10.425 -0.421 387 HA ILE 38 HA ILE 38 8.641 10.894 2.094 388 HB ILE 38 HB ILE 38 10.757 10.679 0.800 389 1HG1 ILE 38 2HG1 ILE 38 8.843 10.790 -1.574 390 2HG1 ILE 38 3HG1 ILE 38 10.101 11.956 -1.205 391 1HG2 ILE 38 2HG2 ILE 38 9.451 8.669 1.472 392 2HG2 ILE 38 3HG2 ILE 38 8.547 8.750 -0.036 393 3HG2 ILE 38 1HG2 ILE 38 10.271 8.401 -0.059 394 1HD1 ILE 38 1HD1 ILE 38 11.819 10.165 -1.504 395 2HD1 ILE 38 2HD1 ILE 38 10.536 9.040 -1.947 396 3HD1 ILE 38 3HD1 ILE 38 10.869 10.435 -2.962 397 QG1 ILE 38 QG1 ILE 38 9.472 11.373 -1.389 398 QG2 ILE 38 QG2 ILE 38 9.423 8.606 0.459 399 QD1 ILE 38 QD1 ILE 38 11.075 9.880 -2.138 400 NH1 ARG 39 NH2 ARG 39 11.609 14.010 0.227 401 NH2 ARG 39 NH1 ARG 39 13.472 15.092 -0.499 402 H ARG 39 HN ARG 39 7.793 13.049 -0.439 403 HA ARG 39 HA ARG 39 9.641 15.152 0.569 404 1HB ARG 39 2HB ARG 39 9.239 14.641 -1.941 405 2HB ARG 39 3HB ARG 39 7.666 15.380 -1.710 406 1HG ARG 39 2HG ARG 39 9.284 17.036 -2.545 407 2HG ARG 39 3HG ARG 39 8.727 17.467 -0.939 408 1HD ARG 39 2HD ARG 39 11.284 17.616 -1.428 409 2HD ARG 39 3HD ARG 39 10.785 16.854 0.078 410 HE ARG 39 HE ARG 39 11.369 15.175 -2.345 411 1HH1 ARG 39 2HH2 ARG 39 10.632 13.829 0.118 412 2HH1 ARG 39 1HH2 ARG 39 12.118 13.533 0.963 413 1HH2 ARG 39 2HH1 ARG 39 13.886 15.757 -1.125 414 2HH2 ARG 39 1HH1 ARG 39 14.040 14.611 0.169 415 QB ARG 39 QB ARG 39 8.453 15.011 -1.825 416 QG ARG 39 QG ARG 39 9.006 17.252 -1.742 417 QD ARG 39 QD ARG 39 11.034 17.235 -0.675 418 QH1 ARG 39 QH2 ARG 39 11.375 13.681 0.541 419 QH2 ARG 39 QH1 ARG 39 13.963 15.184 -0.478 420 H ALA 40 HN ALA 40 6.222 14.662 -0.112 421 HA ALA 40 HA ALA 40 5.121 16.981 0.929 422 1HB ALA 40 3HB ALA 40 4.142 14.142 1.399 423 2HB ALA 40 1HB ALA 40 3.162 15.591 1.575 424 3HB ALA 40 2HB ALA 40 3.771 15.129 -0.011 425 QB ALA 40 QB ALA 40 3.692 14.954 0.988 426 H GLU 41 HN GLU 41 6.039 14.088 2.837 427 HA GLU 41 HA GLU 41 5.748 15.717 5.306 428 1HB GLU 41 2HB GLU 41 5.976 12.749 4.772 429 2HB GLU 41 3HB GLU 41 6.122 13.404 6.397 430 1HG GLU 41 2HG GLU 41 3.786 12.711 5.925 431 2HG GLU 41 3HG GLU 41 3.877 14.447 6.194 432 QB GLU 41 QB GLU 41 6.049 13.076 5.584 433 QG GLU 41 QG GLU 41 3.831 13.579 6.060 434 H GLY 42 HN GLY 42 8.000 16.234 3.600 435 1HA GLY 42 1HA GLY 42 10.365 16.340 3.614 436 2HA GLY 42 2HA GLY 42 10.063 16.840 5.264 437 QA GLY 42 QA GLY 42 10.214 16.590 4.439 438 H ILE 43 HN ILE 43 10.313 13.866 3.385 439 HA ILE 43 HA ILE 43 11.723 12.580 5.668 440 HB ILE 43 HB ILE 43 10.051 11.502 3.380 441 1HG1 ILE 43 2HG1 ILE 43 9.815 11.195 6.388 442 2HG1 ILE 43 3HG1 ILE 43 8.881 12.323 5.415 443 1HG2 ILE 43 3HG2 ILE 43 12.046 10.049 3.629 444 2HG2 ILE 43 1HG2 ILE 43 11.692 9.892 5.344 445 3HG2 ILE 43 2HG2 ILE 43 10.588 9.227 4.159 446 1HD1 ILE 43 2HD1 ILE 43 7.919 10.418 4.134 447 2HD1 ILE 43 3HD1 ILE 43 8.819 9.292 5.151 448 3HD1 ILE 43 1HD1 ILE 43 7.558 10.297 5.852 449 QG1 ILE 43 QG1 ILE 43 9.348 11.759 5.902 450 QG2 ILE 43 QG2 ILE 43 11.442 9.723 4.377 451 QD1 ILE 43 QD1 ILE 43 8.099 10.002 5.046 452 H THR 44 HN THR 44 13.605 11.493 5.292 453 HA THR 44 HA THR 44 14.899 11.812 2.622 454 HB THR 44 HB THR 44 17.033 12.376 3.709 455 HG1 THR 44 1HG THR 44 17.323 11.600 5.640 456 1HG2 THR 44 3HG2 THR 44 15.348 14.301 3.700 457 2HG2 THR 44 1HG2 THR 44 14.849 13.793 5.311 458 3HG2 THR 44 2HG2 THR 44 16.485 14.380 5.044 459 QG2 THR 44 QG2 THR 44 15.560 14.158 4.685 460 H LYS 45 HN LYS 45 16.949 10.228 2.716 461 HA LYS 45 HA LYS 45 15.982 7.594 2.705 462 1HB LYS 45 2HB LYS 45 18.108 8.307 1.640 463 2HB LYS 45 3HB LYS 45 18.830 8.524 3.229 464 1HG LYS 45 2HG LYS 45 18.659 6.143 3.709 465 2HG LYS 45 3HG LYS 45 17.685 5.872 2.273 466 1HD LYS 45 2HD LYS 45 20.023 5.178 1.872 467 2HD LYS 45 3HD LYS 45 19.591 6.527 0.834 468 1HE LYS 45 2HE LYS 45 21.825 6.868 1.828 469 2HE LYS 45 3HE LYS 45 20.706 8.098 2.398 470 1HZ LYS 45 2HZ LYS 45 20.628 5.813 4.097 471 2HZ LYS 45 3HZ LYS 45 22.223 6.382 3.933 472 3HZ LYS 45 1HZ LYS 45 20.988 7.439 4.469 473 QB LYS 45 QB LYS 45 18.469 8.415 2.434 474 QG LYS 45 QG LYS 45 18.172 6.007 2.991 475 QD LYS 45 QD LYS 45 19.807 5.852 1.353 476 QE LYS 45 QE LYS 45 21.266 7.483 2.113 477 QZ LYS 45 QZ LYS 45 21.280 6.545 4.166 478 H GLU 46 HN GLU 46 17.725 9.261 5.265 479 HA GLU 46 HA GLU 46 18.146 7.236 7.112 480 1HB GLU 46 2HB GLU 46 17.343 10.126 7.542 481 2HB GLU 46 3HB GLU 46 17.859 9.081 8.860 482 1HG GLU 46 2HG GLU 46 19.759 10.436 7.931 483 2HG GLU 46 3HG GLU 46 20.040 8.710 7.770 484 QB GLU 46 QB GLU 46 17.601 9.604 8.201 485 QG GLU 46 QG GLU 46 19.900 9.573 7.851 486 H ASP 47 HN ASP 47 15.146 9.167 6.977 487 HA ASP 47 HA ASP 47 13.876 7.663 9.098 488 1HB ASP 47 2HB ASP 47 13.095 9.916 8.458 489 2HB ASP 47 3HB ASP 47 12.665 9.338 6.861 490 QB ASP 47 QB ASP 47 12.880 9.627 7.659 491 H LEU 48 HN LEU 48 13.429 7.567 5.558 492 HA LEU 48 HA LEU 48 11.624 5.370 5.488 493 1HB LEU 48 2HB LEU 48 13.306 6.820 3.587 494 2HB LEU 48 3HB LEU 48 13.262 5.116 3.189 495 HG LEU 48 HG LEU 48 10.772 6.773 3.747 496 1HD1 LEU 48 3HD1 LEU 48 12.017 5.981 1.087 497 2HD1 LEU 48 1HD1 LEU 48 10.438 6.723 1.281 498 3HD1 LEU 48 2HD1 LEU 48 11.890 7.620 1.718 499 1HD2 LEU 48 3HD2 LEU 48 10.565 4.287 4.047 500 2HD2 LEU 48 1HD2 LEU 48 9.600 4.895 2.712 501 3HD2 LEU 48 2HD2 LEU 48 11.115 4.073 2.385 502 QB LEU 48 QB LEU 48 13.284 5.968 3.388 503 QD1 LEU 48 QD1 LEU 48 11.449 6.775 1.362 504 QD2 LEU 48 QD2 LEU 48 10.426 4.418 3.048 505 QQD LEU 48 QQD LEU 48 10.938 5.597 2.205 506 H GLN 49 HN GLN 49 15.106 5.431 5.515 507 HA GLN 49 HA GLN 49 15.665 2.658 5.183 508 1HB GLN 49 2HB GLN 49 17.214 4.797 5.209 509 2HB GLN 49 3HB GLN 49 17.294 4.507 6.940 510 1HG GLN 49 2HG GLN 49 18.143 2.218 6.504 511 2HG GLN 49 3HG GLN 49 18.047 2.517 4.769 512 1HE2 GLN 49 2HE2 GLN 49 21.211 3.905 6.822 513 2HE2 GLN 49 1HE2 GLN 49 20.057 2.863 7.509 514 QB GLN 49 QB GLN 49 17.254 4.652 6.074 515 QG GLN 49 QG GLN 49 18.095 2.367 5.637 516 QE2 GLN 49 QE2 GLN 49 20.634 3.384 7.166 517 H GLN 50 HN GLN 50 15.057 4.706 7.977 518 HA GLN 50 HA GLN 50 15.248 2.619 9.930 519 1HB GLN 50 2HB GLN 50 14.506 5.463 9.762 520 2HB GLN 50 3HB GLN 50 13.835 4.615 11.113 521 1HG GLN 50 2HG GLN 50 16.793 4.576 10.401 522 2HG GLN 50 3HG GLN 50 16.099 5.742 11.511 523 1HE2 GLN 50 2HE2 GLN 50 15.260 2.293 13.278 524 2HE2 GLN 50 1HE2 GLN 50 14.327 2.955 12.030 525 QB GLN 50 QB GLN 50 14.170 5.039 10.437 526 QG GLN 50 QG GLN 50 16.446 5.159 10.956 527 QE2 GLN 50 QE2 GLN 50 14.794 2.624 12.654 528 H LYS 51 HN LYS 51 12.719 3.741 7.824 529 HA LYS 51 HA LYS 51 10.525 2.561 9.351 530 1HB LYS 51 2HB LYS 51 10.744 3.642 6.535 531 2HB LYS 51 3HB LYS 51 9.319 2.760 7.035 532 1HG LYS 51 2HG LYS 51 9.039 4.374 8.938 533 2HG LYS 51 3HG LYS 51 10.381 5.310 8.282 534 1HD LYS 51 2HD LYS 51 9.166 5.657 6.172 535 2HD LYS 51 3HD LYS 51 7.887 4.570 6.684 536 1HE LYS 51 2HE LYS 51 7.245 6.972 6.921 537 2HE LYS 51 3HE LYS 51 7.210 6.107 8.455 538 1HZ LYS 51 1HZ LYS 51 9.790 7.106 8.120 539 2HZ LYS 51 2HZ LYS 51 8.751 8.393 7.776 540 3HZ LYS 51 3HZ LYS 51 8.652 7.578 9.263 541 QB LYS 51 QB LYS 51 10.032 3.201 6.785 542 QG LYS 51 QG LYS 51 9.710 4.842 8.610 543 QD LYS 51 QD LYS 51 8.526 5.114 6.428 544 QE LYS 51 QE LYS 51 7.227 6.540 7.688 545 QZ LYS 51 QZ LYS 51 9.064 7.692 8.387 546 H ALA 52 HN ALA 52 12.262 1.604 6.417 547 HA ALA 52 HA ALA 52 10.948 -1.081 6.591 548 1HB ALA 52 2HB ALA 52 10.744 0.094 4.430 549 2HB ALA 52 3HB ALA 52 12.501 0.162 4.308 550 3HB ALA 52 1HB ALA 52 11.679 -1.390 4.258 551 QB ALA 52 QB ALA 52 11.641 -0.378 4.332 552 H GLY 53 HN GLY 53 14.105 0.419 6.657 553 1HA GLY 53 1HA GLY 53 15.868 -0.763 7.969 554 2HA GLY 53 2HA GLY 53 15.313 -2.268 7.210 555 QA GLY 53 QA GLY 53 15.590 -1.516 7.590 556 H LYS 54 HN LYS 54 14.971 -1.788 4.760 557 HA LYS 54 HA LYS 54 15.984 -1.629 2.682 558 1HB LYS 54 2HB LYS 54 17.007 0.848 4.085 559 2HB LYS 54 3HB LYS 54 17.378 0.539 2.399 560 1HG LYS 54 2HG LYS 54 14.910 0.174 2.000 561 2HG LYS 54 3HG LYS 54 14.628 0.696 3.652 562 1HD LYS 54 2HD LYS 54 15.710 2.899 3.086 563 2HD LYS 54 3HD LYS 54 15.850 2.352 1.418 564 1HE LYS 54 2HE LYS 54 13.767 3.671 1.739 565 2HE LYS 54 3HE LYS 54 13.412 2.001 1.307 566 1HZ LYS 54 2HZ LYS 54 13.683 2.362 4.144 567 2HZ LYS 54 3HZ LYS 54 12.450 3.318 3.503 568 3HZ LYS 54 1HZ LYS 54 12.414 1.658 3.259 569 QB LYS 54 QB LYS 54 17.193 0.694 3.242 570 QG LYS 54 QG LYS 54 14.769 0.435 2.826 571 QD LYS 54 QD LYS 54 15.780 2.626 2.252 572 QE LYS 54 QE LYS 54 13.589 2.836 1.523 573 QZ LYS 54 QZ LYS 54 12.849 2.446 3.635 574 HA PRO 55 HA PRO 55 19.796 -2.016 1.257 575 1HB PRO 55 2HB PRO 55 18.158 -2.943 -0.843 576 2HB PRO 55 3HB PRO 55 19.400 -3.899 -0.023 577 1HG PRO 55 2HG PRO 55 16.419 -3.905 0.384 578 2HG PRO 55 3HG PRO 55 17.565 -5.244 0.532 579 1HD PRO 55 2HD PRO 55 16.498 -3.953 2.716 580 2HD PRO 55 3HD PRO 55 18.111 -4.674 2.744 581 QB PRO 55 QB PRO 55 18.779 -3.421 -0.433 582 QG PRO 55 QG PRO 55 16.992 -4.575 0.458 583 QD PRO 55 QD PRO 55 17.305 -4.314 2.730 584 H VAL 56 HN VAL 56 19.824 -0.110 0.041 585 HA VAL 56 HA VAL 56 17.569 1.677 0.426 586 HB VAL 56 HB VAL 56 19.837 2.475 0.637 587 1HG1 VAL 56 2HG1 VAL 56 20.897 1.000 -1.004 588 2HG1 VAL 56 3HG1 VAL 56 20.096 1.855 -2.313 589 3HG1 VAL 56 1HG1 VAL 56 21.294 2.681 -1.326 590 1HG2 VAL 56 3HG2 VAL 56 18.110 4.091 -0.051 591 2HG2 VAL 56 1HG2 VAL 56 19.669 4.496 -0.758 592 3HG2 VAL 56 2HG2 VAL 56 18.433 3.729 -1.743 593 QG1 VAL 56 QG1 VAL 56 20.762 1.845 -1.547 594 QG2 VAL 56 QG2 VAL 56 18.737 4.105 -0.851 595 QQG VAL 56 QQG VAL 56 19.750 2.975 -1.199 596 H GLU 57 HN GLU 57 16.059 0.148 -0.749 597 HA GLU 57 HA GLU 57 16.286 0.077 -3.655 598 1HB GLU 57 2HB GLU 57 13.913 -0.905 -3.488 599 2HB GLU 57 3HB GLU 57 15.217 -1.823 -2.757 600 1HG GLU 57 2HG GLU 57 14.586 -1.121 -0.541 601 2HG GLU 57 3HG GLU 57 13.504 0.118 -1.170 602 QB GLU 57 QB GLU 57 14.565 -1.364 -3.122 603 QG GLU 57 QG GLU 57 14.045 -0.502 -0.855 604 H THR 58 HN THR 58 16.233 2.672 -2.545 605 HA THR 58 HA THR 58 15.199 4.768 -2.684 606 HB THR 58 HB THR 58 14.810 5.300 -5.104 607 HG1 THR 58 1HG THR 58 14.156 2.660 -5.041 608 1HG2 THR 58 1HG2 THR 58 17.198 4.926 -4.291 609 2HG2 THR 58 2HG2 THR 58 17.036 3.230 -4.740 610 3HG2 THR 58 3HG2 THR 58 16.967 4.479 -5.979 611 QG2 THR 58 QG2 THR 58 17.067 4.212 -5.003 612 H VAL 59 HN VAL 59 13.075 4.138 -5.164 613 HA VAL 59 HA VAL 59 10.705 4.104 -3.374 614 HB VAL 59 HB VAL 59 9.614 5.734 -4.957 615 1HG1 VAL 59 3HG1 VAL 59 12.216 6.697 -3.717 616 2HG1 VAL 59 1HG1 VAL 59 10.864 7.724 -4.180 617 3HG1 VAL 59 2HG1 VAL 59 10.673 6.555 -2.881 618 1HG2 VAL 59 1HG2 VAL 59 12.419 5.956 -6.124 619 2HG2 VAL 59 2HG2 VAL 59 11.012 5.289 -6.950 620 3HG2 VAL 59 3HG2 VAL 59 11.053 6.993 -6.525 621 QG1 VAL 59 QG1 VAL 59 11.251 6.992 -3.592 622 QG2 VAL 59 QG2 VAL 59 11.495 6.080 -6.533 623 QQG VAL 59 QQG VAL 59 11.373 6.536 -5.063 624 HA PRO 60 HA PRO 60 8.740 4.162 -3.570 625 1HB PRO 60 2HB PRO 60 6.384 2.819 -3.658 626 2HB PRO 60 3HB PRO 60 6.804 4.005 -4.906 627 1HG PRO 60 2HG PRO 60 6.799 1.013 -5.068 628 2HG PRO 60 3HG PRO 60 6.522 2.197 -6.349 629 1HD PRO 60 2HD PRO 60 8.976 0.806 -5.780 630 2HD PRO 60 3HD PRO 60 8.740 2.105 -6.967 631 QB PRO 60 QB PRO 60 6.594 3.412 -4.282 632 QG PRO 60 QG PRO 60 6.660 1.605 -5.709 633 QD PRO 60 QD PRO 60 8.858 1.456 -6.374 634 H GLN 61 HN GLN 61 7.342 3.167 -1.677 635 HA GLN 61 HA GLN 61 8.408 0.535 -0.771 636 1HB GLN 61 2HB GLN 61 8.559 3.187 0.674 637 2HB GLN 61 3HB GLN 61 8.515 1.672 1.565 638 1HG GLN 61 2HG GLN 61 10.434 1.318 -0.513 639 2HG GLN 61 3HG GLN 61 10.764 2.886 0.221 640 1HE2 GLN 61 2HE2 GLN 61 11.865 -0.378 2.194 641 2HE2 GLN 61 1HE2 GLN 61 11.514 -0.327 0.532 642 QB GLN 61 QB GLN 61 8.537 2.429 1.119 643 QG GLN 61 QG GLN 61 10.599 2.102 -0.146 644 QE2 GLN 61 QE2 GLN 61 11.690 -0.353 1.363 645 H ILE 62 HN ILE 62 6.858 -0.713 0.132 646 HA ILE 62 HA ILE 62 4.261 0.607 0.858 647 HB ILE 62 HB ILE 62 4.749 -2.211 -0.154 648 1HG1 ILE 62 2HG1 ILE 62 3.741 0.325 -1.469 649 2HG1 ILE 62 3HG1 ILE 62 5.106 -0.671 -1.940 650 1HG2 ILE 62 3HG2 ILE 62 2.162 -0.726 0.466 651 2HG2 ILE 62 1HG2 ILE 62 2.262 -2.333 -0.256 652 3HG2 ILE 62 2HG2 ILE 62 2.822 -2.071 1.386 653 1HD1 ILE 62 3HD1 ILE 62 3.563 -2.543 -2.449 654 2HD1 ILE 62 1HD1 ILE 62 2.192 -1.506 -2.065 655 3HD1 ILE 62 2HD1 ILE 62 3.231 -1.121 -3.428 656 QG1 ILE 62 QG1 ILE 62 4.423 -0.173 -1.704 657 QG2 ILE 62 QG2 ILE 62 2.415 -1.710 0.532 658 QD1 ILE 62 QD1 ILE 62 2.995 -1.723 -2.647 659 H PHE 63 HN PHE 63 3.298 0.128 2.676 660 HA PHE 63 HA PHE 63 4.560 -1.796 4.586 661 1HB PHE 63 2HB PHE 63 3.591 1.015 5.215 662 2HB PHE 63 3HB PHE 63 4.088 -0.163 6.422 663 HD1 PHE 63 2HD PHE 63 5.326 1.782 3.488 664 HD2 PHE 63 1HD PHE 63 6.376 -0.478 6.943 665 HE1 PHE 63 2HE PHE 63 7.651 2.539 3.284 666 HE2 PHE 63 1HE PHE 63 8.706 0.253 6.714 667 HZ PHE 63 HZ PHE 63 9.354 1.745 4.859 668 QB PHE 63 QB PHE 63 3.840 0.426 5.819 669 QR PHE 63 QR PHE 63 7.015 1.024 5.107 670 H VAL 64 HN VAL 64 3.180 -2.732 6.046 671 HA VAL 64 HA VAL 64 0.241 -2.330 5.589 672 HB VAL 64 HB VAL 64 1.613 -4.966 6.270 673 1HG1 VAL 64 2HG1 VAL 64 -0.730 -4.691 7.064 674 2HG1 VAL 64 3HG1 VAL 64 -1.236 -4.296 5.424 675 3HG1 VAL 64 1HG1 VAL 64 -0.620 -5.899 5.805 676 1HG2 VAL 64 1HG2 VAL 64 0.492 -3.999 3.614 677 2HG2 VAL 64 2HG2 VAL 64 2.192 -4.282 3.964 678 3HG2 VAL 64 3HG2 VAL 64 1.065 -5.631 3.936 679 QG1 VAL 64 QG1 VAL 64 -0.862 -4.962 6.098 680 QG2 VAL 64 QG2 VAL 64 1.250 -4.638 3.838 681 QQG VAL 64 QQG VAL 64 0.194 -4.800 4.968 682 H ASP 65 HN ASP 65 -0.478 -1.394 7.384 683 HA ASP 65 HA ASP 65 -0.926 -0.968 9.632 684 1HB ASP 65 2HB ASP 65 0.425 -3.569 10.373 685 2HB ASP 65 3HB ASP 65 -0.910 -2.773 11.174 686 QB ASP 65 QB ASP 65 -0.242 -3.171 10.773 687 H GLN 66 HN GLN 66 1.942 -2.836 10.008 688 HA GLN 66 HA GLN 66 3.544 -0.438 10.636 689 1HB GLN 66 2HB GLN 66 2.573 -1.268 12.779 690 2HB GLN 66 3HB GLN 66 3.299 -2.844 12.484 691 1HG GLN 66 2HG GLN 66 5.533 -1.939 12.641 692 2HG GLN 66 3HG GLN 66 4.929 -0.286 12.637 693 1HE2 GLN 66 2HE2 GLN 66 4.545 -0.274 16.116 694 2HE2 GLN 66 1HE2 GLN 66 4.730 0.607 14.679 695 QB GLN 66 QB GLN 66 2.936 -2.056 12.631 696 QG GLN 66 QG GLN 66 5.231 -1.112 12.639 697 QE2 GLN 66 QE2 GLN 66 4.637 0.167 15.397 698 H GLN 67 HN GLN 67 3.286 -3.417 9.148 699 HA GLN 67 HA GLN 67 6.150 -4.080 9.258 700 1HB GLN 67 2HB GLN 67 3.692 -5.399 8.052 701 2HB GLN 67 3HB GLN 67 5.303 -6.020 7.827 702 1HG GLN 67 2HG GLN 67 4.296 -7.219 9.674 703 2HG GLN 67 3HG GLN 67 5.550 -6.177 10.326 704 1HE2 GLN 67 2HE2 GLN 67 1.734 -4.776 10.906 705 2HE2 GLN 67 1HE2 GLN 67 2.200 -5.223 9.337 706 QB GLN 67 QB GLN 67 4.498 -5.710 7.940 707 QG GLN 67 QG GLN 67 4.923 -6.698 10.000 708 QE2 GLN 67 QE2 GLN 67 1.967 -4.999 10.122 709 H HIS 68 HN HIS 68 7.135 -4.685 7.102 710 HA HIS 68 HA HIS 68 6.310 -2.743 4.975 711 1HB HIS 68 2HB HIS 68 8.459 -2.153 6.098 712 2HB HIS 68 3HB HIS 68 9.106 -3.709 5.645 713 HD1 HIS 68 HD1 HIS 68 10.258 -3.735 3.482 714 HD2 HIS 68 HD2 HIS 68 7.633 -0.577 3.593 715 HE1 HIS 68 HE1 HIS 68 10.610 -2.436 1.347 716 QB HIS 68 QB HIS 68 8.782 -2.931 5.871 717 H ILE 69 HN ILE 69 6.572 -3.529 2.805 718 HA ILE 69 HA ILE 69 6.806 -6.528 2.683 719 HB ILE 69 HB ILE 69 5.225 -4.739 0.801 720 1HG1 ILE 69 2HG1 ILE 69 4.178 -4.705 3.025 721 2HG1 ILE 69 3HG1 ILE 69 3.196 -5.642 1.915 722 1HG2 ILE 69 1HG2 ILE 69 5.348 -7.763 1.128 723 2HG2 ILE 69 2HG2 ILE 69 4.247 -6.912 0.055 724 3HG2 ILE 69 3HG2 ILE 69 5.981 -6.839 -0.225 725 1HD1 ILE 69 1HD1 ILE 69 4.213 -7.742 2.837 726 2HD1 ILE 69 2HD1 ILE 69 5.105 -6.765 3.999 727 3HD1 ILE 69 3HD1 ILE 69 3.348 -6.815 4.056 728 QG1 ILE 69 QG1 ILE 69 3.687 -5.173 2.470 729 QG2 ILE 69 QG2 ILE 69 5.192 -7.171 0.319 730 QD1 ILE 69 QD1 ILE 69 4.222 -7.107 3.631 731 H GLY 70 HN GLY 70 7.273 -3.590 0.789 732 1HA GLY 70 1HA GLY 70 9.891 -3.953 -0.021 733 2HA GLY 70 2HA GLY 70 8.967 -4.919 -1.176 734 QA GLY 70 QA GLY 70 9.429 -4.436 -0.598 735 H GLY 71 HN GLY 71 9.753 -3.357 -2.782 736 1HA GLY 71 1HA GLY 71 8.632 -0.649 -2.600 737 2HA GLY 71 2HA GLY 71 9.626 -1.245 -3.923 738 QA GLY 71 QA GLY 71 9.129 -0.947 -3.262 739 OH TYR 72 OH TYR 72 1.373 -2.341 -9.876 740 H TYR 72 HN TYR 72 8.422 -3.097 -5.199 741 HA TYR 72 HA TYR 72 5.491 -2.763 -5.255 742 1HB TYR 72 2HB TYR 72 6.390 -0.867 -6.673 743 2HB TYR 72 3HB TYR 72 7.118 -2.069 -7.732 744 HD1 TYR 72 HD2 TYR 72 3.788 -1.182 -6.228 745 HD2 TYR 72 HD1 TYR 72 5.853 -2.872 -9.550 746 HE1 TYR 72 HE2 TYR 72 1.670 -1.389 -7.445 747 HE2 TYR 72 HE1 TYR 72 3.738 -3.065 -10.763 748 HH TYR 72 HH TYR 72 0.733 -2.793 -9.311 749 QB TYR 72 QB TYR 72 6.754 -1.468 -7.202 750 QR TYR 72 QR TYR 72 3.762 -2.127 -8.496 751 H THR 73 HN THR 73 4.718 -4.099 -7.354 752 HA THR 73 HA THR 73 4.586 -6.202 -8.355 753 HB THR 73 HB THR 73 7.572 -6.362 -7.836 754 HG1 THR 73 1HG THR 73 7.586 -4.947 -9.418 755 1HG2 THR 73 2HG2 THR 73 5.784 -7.721 -9.899 756 2HG2 THR 73 3HG2 THR 73 7.526 -7.916 -9.757 757 3HG2 THR 73 1HG2 THR 73 6.469 -8.549 -8.502 758 QG2 THR 73 QG2 THR 73 6.593 -8.062 -9.386 759 H ASP 74 HN ASP 74 7.038 -6.712 -5.823 760 HA ASP 74 HA ASP 74 6.358 -9.220 -4.889 761 1HB ASP 74 2HB ASP 74 8.205 -7.664 -4.073 762 2HB ASP 74 3HB ASP 74 7.001 -6.832 -3.104 763 QB ASP 74 QB ASP 74 7.603 -7.248 -3.589 764 H PHE 75 HN PHE 75 5.025 -6.188 -3.782 765 HA PHE 75 HA PHE 75 3.212 -6.910 -1.856 766 1HB PHE 75 2HB PHE 75 3.626 -4.597 -2.537 767 2HB PHE 75 3HB PHE 75 2.786 -4.862 -4.062 768 HD1 PHE 75 2HD PHE 75 2.105 -5.447 -0.390 769 HD2 PHE 75 1HD PHE 75 0.619 -4.048 -4.128 770 HE1 PHE 75 2HE PHE 75 -0.007 -4.794 0.693 771 HE2 PHE 75 1HE PHE 75 -1.497 -3.418 -3.049 772 HZ PHE 75 HZ PHE 75 -1.821 -3.809 -0.644 773 QB PHE 75 QB PHE 75 3.206 -4.730 -3.300 774 QR PHE 75 QR PHE 75 0.305 -4.427 -1.719 775 H ALA 76 HN ALA 76 2.708 -7.362 -5.344 776 HA ALA 76 HA ALA 76 -0.077 -7.883 -5.348 777 1HB ALA 76 3HB ALA 76 2.087 -9.322 -6.935 778 2HB ALA 76 1HB ALA 76 0.367 -9.320 -7.321 779 3HB ALA 76 2HB ALA 76 1.292 -7.825 -7.409 780 QB ALA 76 QB ALA 76 1.249 -8.823 -7.222 781 H ALA 77 HN ALA 77 2.620 -10.085 -4.712 782 HA ALA 77 HA ALA 77 1.068 -12.449 -4.272 783 1HB ALA 77 1HB ALA 77 3.732 -11.611 -3.046 784 2HB ALA 77 2HB ALA 77 3.068 -13.243 -2.997 785 3HB ALA 77 3HB ALA 77 3.526 -12.523 -4.539 786 QB ALA 77 QB ALA 77 3.442 -12.459 -3.528 787 CH2 TRP 78 CH2 TRP 78 -1.921 -6.881 3.563 788 H TRP 78 HN TRP 78 2.419 -10.079 -2.027 789 HA TRP 78 HA TRP 78 1.393 -11.049 0.393 790 1HB TRP 78 2HB TRP 78 2.797 -8.990 0.196 791 2HB TRP 78 3HB TRP 78 1.403 -8.130 -0.403 792 HD1 TRP 78 HD1 TRP 78 2.709 -9.802 2.848 793 HE1 TRP 78 HE1 TRP 78 1.242 -9.173 4.789 794 HE3 TRP 78 HE3 TRP 78 -0.737 -7.099 0.381 795 HZ2 TRP 78 HZ2 TRP 78 -1.023 -7.786 5.281 796 HZ3 TRP 78 HZ3 TRP 78 -2.594 -6.113 1.690 797 HH2 TRP 78 HH2 TRP 78 -2.731 -6.438 4.121 798 QB TRP 78 QB TRP 78 2.100 -8.560 -0.104 799 H VAL 79 HN VAL 79 -0.244 -8.801 -1.825 800 HA VAL 79 HA VAL 79 -2.719 -8.727 -0.428 801 HB VAL 79 HB VAL 79 -2.227 -8.619 -3.433 802 1HG1 VAL 79 3HG1 VAL 79 -4.626 -9.003 -2.819 803 2HG1 VAL 79 1HG1 VAL 79 -4.567 -7.566 -1.811 804 3HG1 VAL 79 2HG1 VAL 79 -4.372 -7.425 -3.547 805 1HG2 VAL 79 2HG2 VAL 79 -2.417 -6.417 -1.338 806 2HG2 VAL 79 3HG2 VAL 79 -0.950 -6.907 -2.176 807 3HG2 VAL 79 1HG2 VAL 79 -2.264 -6.154 -3.068 808 QG1 VAL 79 QG1 VAL 79 -4.522 -7.998 -2.725 809 QG2 VAL 79 QG2 VAL 79 -1.877 -6.493 -2.194 810 QQG VAL 79 QQG VAL 79 -3.199 -7.245 -2.460 811 H LYS 80 HN LYS 80 -1.520 -10.941 -2.859 812 HA LYS 80 HA LYS 80 -3.846 -12.548 -3.154 813 1HB LYS 80 2HB LYS 80 -1.544 -12.344 -4.498 814 2HB LYS 80 3HB LYS 80 -1.108 -13.725 -3.513 815 1HG LYS 80 2HG LYS 80 -3.689 -13.671 -5.123 816 2HG LYS 80 3HG LYS 80 -2.173 -14.183 -5.838 817 1HD LYS 80 2HD LYS 80 -2.714 -16.253 -5.086 818 2HD LYS 80 3HD LYS 80 -2.189 -15.663 -3.515 819 1HE LYS 80 2HE LYS 80 -4.778 -14.750 -3.540 820 2HE LYS 80 3HE LYS 80 -4.938 -16.199 -4.524 821 1HZ LYS 80 2HZ LYS 80 -3.350 -16.840 -2.317 822 2HZ LYS 80 3HZ LYS 80 -4.686 -15.963 -1.747 823 3HZ LYS 80 1HZ LYS 80 -4.931 -17.378 -2.653 824 QB LYS 80 QB LYS 80 -1.326 -13.035 -4.005 825 QG LYS 80 QG LYS 80 -2.931 -13.927 -5.481 826 QD LYS 80 QD LYS 80 -2.451 -15.958 -4.300 827 QE LYS 80 QE LYS 80 -4.858 -15.474 -4.032 828 QZ LYS 80 QZ LYS 80 -4.322 -16.727 -2.239 829 H GLU 81 HN GLU 81 -1.101 -13.003 -0.836 830 HA GLU 81 HA GLU 81 -2.726 -15.294 0.253 831 1HB GLU 81 2HB GLU 81 -0.241 -15.654 1.376 832 2HB GLU 81 3HB GLU 81 -0.811 -16.439 -0.081 833 1HG GLU 81 2HG GLU 81 1.313 -15.551 -0.671 834 2HG GLU 81 3HG GLU 81 0.173 -14.425 -1.374 835 QB GLU 81 QB GLU 81 -0.526 -16.047 0.647 836 QG GLU 81 QG GLU 81 0.743 -14.988 -1.022 837 H ASN 82 HN ASN 82 -1.654 -12.195 1.237 838 HA ASN 82 HA ASN 82 -1.887 -12.893 4.101 839 1HB ASN 82 2HB ASN 82 -0.860 -10.580 2.586 840 2HB ASN 82 3HB ASN 82 -1.791 -10.120 3.997 841 1HD2 ASN 82 2HD2 ASN 82 1.568 -12.406 4.589 842 2HD2 ASN 82 1HD2 ASN 82 0.677 -12.600 3.154 843 QB ASN 82 QB ASN 82 -1.325 -10.350 3.291 844 QD2 ASN 82 QD2 ASN 82 1.123 -12.503 3.871 845 H LEU 83 HN LEU 83 -3.900 -11.801 1.567 846 HA LEU 83 HA LEU 83 -5.913 -10.772 3.518 847 1HB LEU 83 2HB LEU 83 -5.955 -10.660 0.477 848 2HB LEU 83 3HB LEU 83 -7.085 -9.857 1.545 849 HG LEU 83 HG LEU 83 -4.117 -9.279 1.300 850 1HD1 LEU 83 3HD1 LEU 83 -5.656 -8.447 -0.494 851 2HD1 LEU 83 1HD1 LEU 83 -6.565 -7.566 0.728 852 3HD1 LEU 83 2HD1 LEU 83 -4.882 -7.152 0.401 853 1HD2 LEU 83 3HD2 LEU 83 -6.206 -8.023 3.125 854 2HD2 LEU 83 1HD2 LEU 83 -4.856 -9.022 3.649 855 3HD2 LEU 83 2HD2 LEU 83 -4.554 -7.451 2.924 856 QB LEU 83 QB LEU 83 -6.520 -10.259 1.011 857 QD1 LEU 83 QD1 LEU 83 -5.701 -7.722 0.212 858 QD2 LEU 83 QD2 LEU 83 -5.205 -8.165 3.233 859 QQD LEU 83 QQD LEU 83 -5.453 -7.944 1.722 860 H ASP 84 HN ASP 84 -6.192 -12.577 0.463 861 HA ASP 84 HA ASP 84 -7.928 -14.112 -0.094 862 1HB ASP 84 2HB ASP 84 -5.666 -15.083 1.399 863 2HB ASP 84 3HB ASP 84 -7.035 -16.100 1.761 864 QB ASP 84 QB ASP 84 -6.350 -15.592 1.580 865 H ALA 85 HN ALA 85 -9.091 -12.307 1.574 866 HA ALA 85 HA ALA 85 -11.355 -13.692 2.627 867 1HB ALA 85 2HB ALA 85 -9.465 -12.432 4.658 868 2HB ALA 85 3HB ALA 85 -11.069 -13.068 5.015 869 3HB ALA 85 1HB ALA 85 -9.783 -14.158 4.502 870 QB ALA 85 QB ALA 85 -10.106 -13.219 4.725 Start of MODEL 12 Raw file had 870 H/Q atoms Start of MODEL 12 1 H MET 1 HN MET 1 -4.030 -4.386 8.176 2 HA MET 1 HA MET 1 -6.389 -3.644 6.759 3 1HB MET 1 2HB MET 1 -5.348 -2.763 9.481 4 2HB MET 1 3HB MET 1 -6.982 -2.516 8.881 5 1HG MET 1 2HG MET 1 -6.743 -4.515 10.367 6 2HG MET 1 3HG MET 1 -7.423 -4.854 8.797 7 1HE MET 1 1HE MET 1 -6.599 -5.961 7.059 8 2HE MET 1 2HE MET 1 -5.248 -7.092 7.006 9 3HE MET 1 3HE MET 1 -6.693 -7.485 7.942 10 QB MET 1 QB MET 1 -6.165 -2.639 9.181 11 QG MET 1 QG MET 1 -7.083 -4.684 9.582 12 QE MET 1 QE MET 1 -6.180 -6.846 7.336 13 H GLN 2 HN GLN 2 -3.761 -1.706 8.192 14 HA GLN 2 HA GLN 2 -4.661 0.660 6.709 15 1HB GLN 2 2HB GLN 2 -2.788 0.115 9.000 16 2HB GLN 2 3HB GLN 2 -2.652 1.622 8.127 17 1HG GLN 2 2HG GLN 2 -5.010 2.162 8.641 18 2HG GLN 2 3HG GLN 2 -5.192 0.623 9.476 19 1HE2 GLN 2 2HE2 GLN 2 -2.458 2.118 11.797 20 2HE2 GLN 2 1HE2 GLN 2 -2.242 1.073 10.481 21 QB GLN 2 QB GLN 2 -2.720 0.869 8.563 22 QG GLN 2 QG GLN 2 -5.101 1.393 9.059 23 QE2 GLN 2 QE2 GLN 2 -2.350 1.595 11.139 24 H THR 3 HN THR 3 -3.955 0.356 4.601 25 HA THR 3 HA THR 3 -1.132 -0.432 4.101 26 HB THR 3 HB THR 3 -3.439 0.140 2.164 27 HG1 THR 3 1HG THR 3 -3.829 -1.794 2.991 28 1HG2 THR 3 3HG2 THR 3 -0.688 -1.113 1.697 29 2HG2 THR 3 1HG2 THR 3 -1.959 -0.953 0.494 30 3HG2 THR 3 2HG2 THR 3 -1.156 0.481 1.117 31 QG2 THR 3 QG2 THR 3 -1.268 -0.528 1.103 32 H VAL 4 HN VAL 4 0.425 1.056 3.731 33 HA VAL 4 HA VAL 4 -0.471 3.792 2.957 34 HB VAL 4 HB VAL 4 1.748 3.243 4.949 35 1HG1 VAL 4 2HG1 VAL 4 0.255 5.769 4.126 36 2HG1 VAL 4 3HG1 VAL 4 1.487 5.694 5.379 37 3HG1 VAL 4 1HG1 VAL 4 1.919 5.373 3.704 38 1HG2 VAL 4 3HG2 VAL 4 -1.128 4.100 5.466 39 2HG2 VAL 4 1HG2 VAL 4 -0.413 2.560 5.932 40 3HG2 VAL 4 2HG2 VAL 4 0.150 4.050 6.678 41 QG1 VAL 4 QG1 VAL 4 1.220 5.612 4.403 42 QG2 VAL 4 QG2 VAL 4 -0.464 3.570 6.025 43 QQG VAL 4 QQG VAL 4 0.378 4.591 5.214 44 H ILE 5 HN ILE 5 0.747 4.792 1.529 45 HA ILE 5 HA ILE 5 3.117 3.334 0.427 46 HB ILE 5 HB ILE 5 1.245 5.354 -0.905 47 1HG1 ILE 5 2HG1 ILE 5 0.643 3.487 -2.427 48 2HG1 ILE 5 3HG1 ILE 5 1.645 2.395 -1.490 49 1HG2 ILE 5 1HG2 ILE 5 3.628 3.826 -2.035 50 2HG2 ILE 5 2HG2 ILE 5 2.532 4.841 -2.978 51 3HG2 ILE 5 3HG2 ILE 5 3.562 5.565 -1.747 52 1HD1 ILE 5 1HD1 ILE 5 -0.734 3.897 -0.333 53 2HD1 ILE 5 2HD1 ILE 5 -0.830 2.255 -0.963 54 3HD1 ILE 5 3HD1 ILE 5 0.165 2.594 0.437 55 QG1 ILE 5 QG1 ILE 5 1.144 2.941 -1.959 56 QG2 ILE 5 QG2 ILE 5 3.241 4.744 -2.253 57 QD1 ILE 5 QD1 ILE 5 -0.466 2.915 -0.287 58 H PHE 6 HN PHE 6 5.038 4.412 0.557 59 HA PHE 6 HA PHE 6 4.963 7.285 1.418 60 1HB PHE 6 2HB PHE 6 6.707 5.013 2.394 61 2HB PHE 6 3HB PHE 6 7.219 6.685 2.547 62 HD1 PHE 6 2HD PHE 6 4.632 4.235 3.617 63 HD2 PHE 6 1HD PHE 6 6.234 8.146 4.177 64 HE1 PHE 6 2HE PHE 6 3.415 4.439 5.740 65 HE2 PHE 6 1HE PHE 6 5.003 8.350 6.288 66 HZ PHE 6 HZ PHE 6 3.576 6.499 7.066 67 QB PHE 6 QB PHE 6 6.963 5.849 2.471 68 QR PHE 6 QR PHE 6 4.821 6.293 4.955 69 H GLY 7 HN GLY 7 5.718 8.448 -0.205 70 1HA GLY 7 1HA GLY 7 7.826 9.144 -1.339 71 2HA GLY 7 2HA GLY 7 8.180 7.444 -1.596 72 QA GLY 7 QA GLY 7 8.003 8.294 -1.467 73 NH1 ARG 8 NH2 ARG 8 7.863 14.695 -6.299 74 NH2 ARG 8 NH1 ARG 8 5.862 13.920 -5.507 75 H ARG 8 HN ARG 8 8.463 8.636 -3.752 76 HA ARG 8 HA ARG 8 5.936 8.363 -5.325 77 1HB ARG 8 2HB ARG 8 6.889 10.224 -6.779 78 2HB ARG 8 3HB ARG 8 6.422 10.737 -5.158 79 1HG ARG 8 2HG ARG 8 8.775 10.483 -4.393 80 2HG ARG 8 3HG ARG 8 9.249 9.965 -6.008 81 1HD ARG 8 2HD ARG 8 9.744 12.360 -5.659 82 2HD ARG 8 3HD ARG 8 8.521 12.151 -6.917 83 HE ARG 8 HE ARG 8 7.577 12.640 -4.112 84 1HH1 ARG 8 2HH2 ARG 8 8.855 14.576 -6.335 85 2HH1 ARG 8 1HH2 ARG 8 7.435 15.471 -6.762 86 1HH2 ARG 8 2HH1 ARG 8 5.394 13.228 -4.936 87 2HH2 ARG 8 1HH1 ARG 8 5.338 14.651 -5.941 88 QB ARG 8 QB ARG 8 6.655 10.480 -5.969 89 QG ARG 8 QG ARG 8 9.012 10.224 -5.200 90 QD ARG 8 QD ARG 8 9.133 12.256 -6.288 91 QH1 ARG 8 QH2 ARG 8 8.145 15.023 -6.549 92 QH2 ARG 8 QH1 ARG 8 5.366 13.940 -5.439 93 H SER 9 HN SER 9 6.348 7.855 -7.596 94 HA SER 9 HA SER 9 8.785 6.167 -7.933 95 1HB SER 9 2HB SER 9 7.303 5.324 -9.949 96 2HB SER 9 3HB SER 9 6.826 4.843 -8.315 97 HG SER 9 HG SER 9 5.466 6.400 -10.069 98 QB SER 9 QB SER 9 7.064 5.084 -9.132 99 H GLY 10 HN GLY 10 6.655 8.264 -9.740 100 1HA GLY 10 1HA GLY 10 7.904 10.294 -10.817 101 2HA GLY 10 2HA GLY 10 8.884 9.031 -11.584 102 QA GLY 10 QA GLY 10 8.394 9.663 -11.200 103 H CYS 11 HN CYS 11 7.427 7.192 -12.411 104 HA CYS 11 HA CYS 11 5.400 8.421 -14.205 105 1HB CYS 11 2HB CYS 11 6.990 5.863 -14.195 106 2HB CYS 11 3HB CYS 11 5.535 5.951 -15.144 107 HG CYS 11 HG CYS 11 8.196 7.330 -15.822 108 QB CYS 11 QB CYS 11 6.262 5.907 -14.670 109 HA PRO 12 HA PRO 12 1.926 6.468 -12.149 110 1HB PRO 12 2HB PRO 12 1.348 4.891 -14.627 111 2HB PRO 12 3HB PRO 12 0.290 5.979 -13.715 112 1HG PRO 12 2HG PRO 12 1.389 6.713 -16.095 113 2HG PRO 12 3HG PRO 12 1.123 7.892 -14.804 114 1HD PRO 12 2HD PRO 12 3.690 6.612 -15.698 115 2HD PRO 12 3HD PRO 12 3.425 8.228 -15.015 116 QB PRO 12 QB PRO 12 0.819 5.435 -14.171 117 QG PRO 12 QG PRO 12 1.256 7.302 -15.449 118 QD PRO 12 QD PRO 12 3.557 7.420 -15.356 119 OH TYR 13 OH TYR 13 7.153 -2.223 -11.280 120 H TYR 13 HN TYR 13 3.710 5.317 -10.965 121 HA TYR 13 HA TYR 13 3.597 2.373 -11.477 122 1HB TYR 13 2HB TYR 13 5.870 3.755 -11.655 123 2HB TYR 13 3HB TYR 13 5.840 3.607 -9.899 124 HD1 TYR 13 HD2 TYR 13 5.789 1.692 -13.060 125 HD2 TYR 13 HD1 TYR 13 6.235 1.459 -8.830 126 HE1 TYR 13 HE2 TYR 13 6.478 -0.640 -13.263 127 HE2 TYR 13 HE1 TYR 13 6.914 -0.884 -9.042 128 HH TYR 13 HH TYR 13 7.624 -2.315 -12.114 129 QB TYR 13 QB TYR 13 5.855 3.681 -10.777 130 QR TYR 13 QR TYR 13 6.354 0.407 -11.049 131 H CYS 14 HN CYS 14 4.335 4.655 -8.767 132 HA CYS 14 HA CYS 14 3.536 2.907 -6.670 133 1HB CYS 14 2HB CYS 14 2.936 5.870 -6.695 134 2HB CYS 14 3HB CYS 14 3.240 4.867 -5.305 135 HG CYS 14 HG CYS 14 5.437 5.947 -7.199 136 QB CYS 14 QB CYS 14 3.088 5.368 -6.000 137 H VAL 15 HN VAL 15 1.743 5.078 -8.681 138 HA VAL 15 HA VAL 15 -0.780 5.150 -7.597 139 HB VAL 15 HB VAL 15 -0.154 4.757 -10.550 140 1HG1 VAL 15 2HG1 VAL 15 -2.571 4.537 -9.968 141 2HG1 VAL 15 3HG1 VAL 15 -2.506 6.086 -9.132 142 3HG1 VAL 15 1HG1 VAL 15 -2.269 6.016 -10.876 143 1HG2 VAL 15 3HG2 VAL 15 -0.315 7.292 -8.874 144 2HG2 VAL 15 1HG2 VAL 15 1.158 6.608 -9.548 145 3HG2 VAL 15 2HG2 VAL 15 -0.085 7.237 -10.617 146 QG1 VAL 15 QG1 VAL 15 -2.449 5.546 -9.992 147 QG2 VAL 15 QG2 VAL 15 0.253 7.046 -9.680 148 QQG VAL 15 QQG VAL 15 -1.098 6.296 -9.836 149 NH1 ARG 16 NH1 ARG 16 -3.578 2.521 -12.040 150 NH2 ARG 16 NH2 ARG 16 -3.951 0.322 -11.574 151 H ARG 16 HN ARG 16 0.459 2.520 -9.693 152 HA ARG 16 HA ARG 16 -1.984 1.038 -9.735 153 1HB ARG 16 2HB ARG 16 0.741 -0.273 -9.779 154 2HB ARG 16 3HB ARG 16 -0.720 -0.782 -10.608 155 1HG ARG 16 2HG ARG 16 1.150 1.483 -11.299 156 2HG ARG 16 3HG ARG 16 0.590 0.180 -12.327 157 1HD ARG 16 2HD ARG 16 -1.127 2.493 -11.336 158 2HD ARG 16 3HD ARG 16 -0.458 2.336 -12.951 159 HE ARG 16 HE ARG 16 -1.915 0.243 -13.158 160 1HH1 ARG 16 2HH1 ARG 16 -3.016 3.217 -12.479 161 2HH1 ARG 16 1HH1 ARG 16 -4.433 2.786 -11.566 162 1HH2 ARG 16 2HH2 ARG 16 -3.618 -0.617 -11.561 163 2HH2 ARG 16 1HH2 ARG 16 -4.867 0.537 -11.204 164 QB ARG 16 QB ARG 16 0.011 -0.527 -10.193 165 QG ARG 16 QG ARG 16 0.870 0.832 -11.813 166 QD ARG 16 QD ARG 16 -0.793 2.414 -12.143 167 QH1 ARG 16 QH1 ARG 16 -3.724 3.002 -12.022 168 QH2 ARG 16 QH2 ARG 16 -4.243 -0.040 -11.382 169 H ALA 17 HN ALA 17 0.730 0.948 -7.415 170 HA ALA 17 HA ALA 17 -0.250 -1.210 -5.827 171 1HB ALA 17 3HB ALA 17 1.966 -0.128 -5.433 172 2HB ALA 17 1HB ALA 17 1.143 1.309 -4.847 173 3HB ALA 17 2HB ALA 17 1.010 -0.202 -3.957 174 QB ALA 17 QB ALA 17 1.373 0.327 -4.746 175 H LYS 18 HN LYS 18 -0.867 2.258 -5.706 176 HA LYS 18 HA LYS 18 -2.768 2.205 -3.574 177 1HB LYS 18 2HB LYS 18 -2.194 4.387 -4.082 178 2HB LYS 18 3HB LYS 18 -2.157 4.096 -5.806 179 1HG LYS 18 2HG LYS 18 -4.867 3.820 -4.634 180 2HG LYS 18 3HG LYS 18 -4.167 5.421 -4.443 181 1HD LYS 18 2HD LYS 18 -3.988 5.793 -6.734 182 2HD LYS 18 3HD LYS 18 -3.922 4.085 -7.121 183 1HE LYS 18 2HE LYS 18 -6.081 5.270 -7.757 184 2HE LYS 18 3HE LYS 18 -6.271 3.816 -6.791 185 1HZ LYS 18 1HZ LYS 18 -6.056 5.862 -4.939 186 2HZ LYS 18 2HZ LYS 18 -7.056 6.466 -6.173 187 3HZ LYS 18 3HZ LYS 18 -7.445 5.023 -5.413 188 QB LYS 18 QB LYS 18 -2.176 4.241 -4.944 189 QG LYS 18 QG LYS 18 -4.517 4.621 -4.539 190 QD LYS 18 QD LYS 18 -3.955 4.939 -6.928 191 QE LYS 18 QE LYS 18 -6.176 4.543 -7.274 192 QZ LYS 18 QZ LYS 18 -6.852 5.784 -5.509 193 H ASP 19 HN ASP 19 -3.351 2.066 -7.112 194 HA ASP 19 HA ASP 19 -6.094 1.668 -7.128 195 1HB ASP 19 2HB ASP 19 -3.939 0.284 -8.757 196 2HB ASP 19 3HB ASP 19 -5.641 0.016 -9.065 197 QB ASP 19 QB ASP 19 -4.790 0.150 -8.911 198 H LEU 20 HN LEU 20 -3.688 -0.913 -6.723 199 HA LEU 20 HA LEU 20 -5.515 -3.040 -6.283 200 1HB LEU 20 2HB LEU 20 -3.159 -3.496 -6.667 201 2HB LEU 20 3HB LEU 20 -2.699 -2.612 -5.222 202 HG LEU 20 HG LEU 20 -3.802 -4.264 -3.794 203 1HD1 LEU 20 1HD1 LEU 20 -4.477 -5.668 -6.407 204 2HD1 LEU 20 2HD1 LEU 20 -4.717 -6.347 -4.802 205 3HD1 LEU 20 3HD1 LEU 20 -5.636 -4.936 -5.299 206 1HD2 LEU 20 1HD2 LEU 20 -1.985 -5.519 -5.884 207 2HD2 LEU 20 2HD2 LEU 20 -1.458 -4.637 -4.461 208 3HD2 LEU 20 3HD2 LEU 20 -2.300 -6.162 -4.274 209 QB LEU 20 QB LEU 20 -2.929 -3.054 -5.944 210 QD1 LEU 20 QD1 LEU 20 -4.943 -5.650 -5.503 211 QD2 LEU 20 QD2 LEU 20 -1.914 -5.439 -4.873 212 QQD LEU 20 QQD LEU 20 -3.429 -5.545 -5.188 213 H ALA 21 HN ALA 21 -3.687 -1.237 -3.853 214 HA ALA 21 HA ALA 21 -4.878 -2.297 -1.537 215 1HB ALA 21 2HB ALA 21 -2.941 -0.729 -1.522 216 2HB ALA 21 3HB ALA 21 -4.006 0.579 -2.029 217 3HB ALA 21 1HB ALA 21 -4.213 -0.163 -0.450 218 QB ALA 21 QB ALA 21 -3.720 -0.104 -1.334 219 H GLU 22 HN GLU 22 -5.884 0.375 -3.547 220 HA GLU 22 HA GLU 22 -8.174 1.184 -2.065 221 1HB GLU 22 2HB GLU 22 -7.042 2.468 -3.951 222 2HB GLU 22 3HB GLU 22 -7.744 1.318 -5.067 223 1HG GLU 22 2HG GLU 22 -9.956 2.001 -4.628 224 2HG GLU 22 3HG GLU 22 -9.515 2.799 -3.118 225 QB GLU 22 QB GLU 22 -7.393 1.893 -4.509 226 QG GLU 22 QG GLU 22 -9.735 2.400 -3.873 227 H LYS 23 HN LYS 23 -7.846 -0.882 -4.925 228 HA LYS 23 HA LYS 23 -10.507 -1.634 -5.234 229 1HB LYS 23 2HB LYS 23 -8.244 -2.404 -6.489 230 2HB LYS 23 3HB LYS 23 -8.485 -3.834 -5.501 231 1HG LYS 23 2HG LYS 23 -10.463 -2.645 -7.483 232 2HG LYS 23 3HG LYS 23 -9.580 -4.145 -7.668 233 1HD LYS 23 2HD LYS 23 -11.425 -5.152 -6.808 234 2HD LYS 23 3HD LYS 23 -10.874 -4.567 -5.251 235 1HE LYS 23 2HE LYS 23 -12.268 -2.564 -5.454 236 2HE LYS 23 3HE LYS 23 -12.676 -2.972 -7.111 237 1HZ LYS 23 1HZ LYS 23 -13.370 -5.132 -5.404 238 2HZ LYS 23 2HZ LYS 23 -14.036 -3.671 -4.796 239 3HZ LYS 23 3HZ LYS 23 -14.368 -4.161 -6.386 240 QB LYS 23 QB LYS 23 -8.365 -3.119 -5.995 241 QG LYS 23 QG LYS 23 -10.021 -3.395 -7.575 242 QD LYS 23 QD LYS 23 -11.150 -4.859 -6.030 243 QE LYS 23 QE LYS 23 -12.472 -2.768 -6.283 244 QZ LYS 23 QZ LYS 23 -13.924 -4.321 -5.529 245 H LEU 24 HN LEU 24 -8.053 -3.330 -3.330 246 HA LEU 24 HA LEU 24 -9.756 -5.255 -2.090 247 1HB LEU 24 2HB LEU 24 -7.295 -3.926 -0.889 248 2HB LEU 24 3HB LEU 24 -7.940 -5.495 -0.451 249 HG LEU 24 HG LEU 24 -6.950 -4.826 -3.249 250 1HD1 LEU 24 3HD1 LEU 24 -5.122 -4.696 -1.581 251 2HD1 LEU 24 1HD1 LEU 24 -5.548 -6.304 -0.999 252 3HD1 LEU 24 2HD1 LEU 24 -4.952 -6.086 -2.640 253 1HD2 LEU 24 3HD2 LEU 24 -7.557 -7.475 -1.882 254 2HD2 LEU 24 1HD2 LEU 24 -8.541 -6.721 -3.134 255 3HD2 LEU 24 2HD2 LEU 24 -6.919 -7.288 -3.512 256 QB LEU 24 QB LEU 24 -7.617 -4.711 -0.670 257 QD1 LEU 24 QD1 LEU 24 -5.207 -5.696 -1.740 258 QD2 LEU 24 QD2 LEU 24 -7.672 -7.161 -2.843 259 QQD LEU 24 QQD LEU 24 -6.440 -6.428 -2.291 260 H SER 25 HN SER 25 -8.706 -2.073 -1.071 261 HA SER 25 HA SER 25 -9.987 -1.790 1.381 262 1HB SER 25 2HB SER 25 -8.488 -0.052 0.233 263 2HB SER 25 3HB SER 25 -9.901 0.404 -0.729 264 HG SER 25 HG SER 25 -10.421 0.122 1.954 265 QB SER 25 QB SER 25 -9.195 0.176 -0.248 266 H ASN 26 HN ASN 26 -11.305 -1.767 -1.810 267 HA ASN 26 HA ASN 26 -14.005 -0.967 -0.864 268 1HB ASN 26 2HB ASN 26 -13.358 0.194 -2.804 269 2HB ASN 26 3HB ASN 26 -12.605 -1.210 -3.523 270 1HD2 ASN 26 2HD2 ASN 26 -16.649 -0.753 -3.911 271 2HD2 ASN 26 1HD2 ASN 26 -15.846 0.070 -2.666 272 QB ASN 26 QB ASN 26 -12.981 -0.508 -3.164 273 QD2 ASN 26 QD2 ASN 26 -16.248 -0.341 -3.289 274 H GLU 27 HN GLU 27 -12.686 -3.585 -0.303 275 HA GLU 27 HA GLU 27 -14.970 -5.294 -1.189 276 1HB GLU 27 2HB GLU 27 -12.041 -6.138 -1.288 277 2HB GLU 27 3HB GLU 27 -13.422 -7.155 -1.685 278 1HG GLU 27 2HG GLU 27 -14.066 -5.573 -3.481 279 2HG GLU 27 3HG GLU 27 -12.690 -4.562 -3.090 280 QB GLU 27 QB GLU 27 -12.732 -6.646 -1.487 281 QG GLU 27 QG GLU 27 -13.378 -5.068 -3.285 282 NH1 ARG 28 NH2 ARG 28 -10.293 -10.783 3.189 283 NH2 ARG 28 NH1 ARG 28 -11.374 -9.938 5.011 284 H ARG 28 HN ARG 28 -12.313 -4.785 1.056 285 HA ARG 28 HA ARG 28 -13.707 -6.584 3.010 286 1HB ARG 28 2HB ARG 28 -10.842 -5.619 3.104 287 2HB ARG 28 3HB ARG 28 -11.578 -6.914 4.036 288 1HG ARG 28 2HG ARG 28 -12.030 -8.122 1.854 289 2HG ARG 28 3HG ARG 28 -11.080 -6.886 1.041 290 1HD ARG 28 2HD ARG 28 -9.779 -8.966 1.695 291 2HD ARG 28 3HD ARG 28 -9.100 -7.454 2.297 292 HE ARG 28 HE ARG 28 -9.841 -8.016 4.538 293 1HH1 ARG 28 2HH2 ARG 28 -9.684 -10.651 2.407 294 2HH1 ARG 28 1HH2 ARG 28 -10.693 -11.701 3.320 295 1HH2 ARG 28 2HH1 ARG 28 -11.560 -9.144 5.600 296 2HH2 ARG 28 1HH1 ARG 28 -11.802 -10.816 5.207 297 QB ARG 28 QB ARG 28 -11.210 -6.267 3.570 298 QG ARG 28 QG ARG 28 -11.555 -7.504 1.447 299 QD ARG 28 QD ARG 28 -9.440 -8.210 1.996 300 QH1 ARG 28 QH2 ARG 28 -10.188 -11.176 2.863 301 QH2 ARG 28 QH1 ARG 28 -11.681 -9.980 5.403 302 H ASP 29 HN ASP 29 -14.561 -5.706 4.812 303 HA ASP 29 HA ASP 29 -14.314 -2.817 5.261 304 1HB ASP 29 2HB ASP 29 -15.691 -4.918 6.980 305 2HB ASP 29 3HB ASP 29 -15.993 -3.180 6.978 306 QB ASP 29 QB ASP 29 -15.842 -4.049 6.979 307 H ASP 30 HN ASP 30 -11.969 -4.444 5.476 308 HA ASP 30 HA ASP 30 -11.061 -3.672 8.195 309 1HB ASP 30 2HB ASP 30 -9.631 -5.755 8.181 310 2HB ASP 30 3HB ASP 30 -11.354 -6.095 8.259 311 QB ASP 30 QB ASP 30 -10.493 -5.925 8.220 312 H PHE 31 HN PHE 31 -10.793 -3.277 4.950 313 HA PHE 31 HA PHE 31 -7.856 -2.727 5.089 314 1HB PHE 31 2HB PHE 31 -8.778 -4.650 3.620 315 2HB PHE 31 3HB PHE 31 -9.391 -3.387 2.569 316 HD1 PHE 31 1HD PHE 31 -7.676 -1.611 1.744 317 HD2 PHE 31 2HD PHE 31 -6.534 -5.364 3.429 318 HE1 PHE 31 1HE PHE 31 -5.473 -1.412 0.707 319 HE2 PHE 31 2HE PHE 31 -4.313 -5.142 2.401 320 HZ PHE 31 HZ PHE 31 -3.779 -3.167 1.037 321 QB PHE 31 QB PHE 31 -9.084 -4.019 3.095 322 QR PHE 31 QR PHE 31 -5.999 -3.382 2.070 323 H GLN 32 HN GLN 32 -7.291 -0.724 4.877 324 HA GLN 32 HA GLN 32 -8.758 1.176 3.119 325 1HB GLN 32 2HB GLN 32 -8.178 1.591 6.077 326 2HB GLN 32 3HB GLN 32 -8.475 2.934 4.982 327 1HG GLN 32 2HG GLN 32 -10.430 0.624 5.292 328 2HG GLN 32 3HG GLN 32 -10.531 2.098 6.255 329 1HE2 GLN 32 2HE2 GLN 32 -11.982 2.131 2.526 330 2HE2 GLN 32 1HE2 GLN 32 -11.582 0.706 3.365 331 QB GLN 32 QB GLN 32 -8.326 2.263 5.529 332 QG GLN 32 QG GLN 32 -10.481 1.361 5.773 333 QE2 GLN 32 QE2 GLN 32 -11.782 1.419 2.946 334 OH TYR 33 OH TYR 33 -6.661 5.811 -3.001 335 H TYR 33 HN TYR 33 -7.262 2.998 2.470 336 HA TYR 33 HA TYR 33 -4.440 2.450 3.266 337 1HB TYR 33 2HB TYR 33 -3.627 2.364 1.056 338 2HB TYR 33 3HB TYR 33 -5.101 1.410 0.988 339 HD1 TYR 33 HD1 TYR 33 -7.133 2.334 -0.133 340 HD2 TYR 33 HD2 TYR 33 -3.484 4.529 -0.047 341 HE1 TYR 33 HE1 TYR 33 -7.985 3.826 -1.887 342 HE2 TYR 33 HE2 TYR 33 -4.329 6.003 -1.810 343 HH TYR 33 HH TYR 33 -7.607 5.611 -3.119 344 QB TYR 33 QB TYR 33 -4.364 1.887 1.022 345 QR TYR 33 QR TYR 33 -5.733 4.173 -0.969 346 H GLN 34 HN GLN 34 -2.939 4.126 2.727 347 HA GLN 34 HA GLN 34 -4.039 6.867 2.331 348 1HB GLN 34 2HB GLN 34 -3.333 5.883 4.869 349 2HB GLN 34 3HB GLN 34 -1.918 6.794 4.374 350 1HG GLN 34 2HG GLN 34 -4.763 7.866 4.447 351 2HG GLN 34 3HG GLN 34 -3.506 8.235 5.611 352 1HE2 GLN 34 2HE2 GLN 34 -2.032 10.699 3.547 353 2HE2 GLN 34 1HE2 GLN 34 -2.024 9.907 5.051 354 QB GLN 34 QB GLN 34 -2.625 6.338 4.621 355 QG GLN 34 QG GLN 34 -4.135 8.051 5.029 356 QE2 GLN 34 QE2 GLN 34 -2.028 10.303 4.299 357 OH TYR 35 OH TYR 35 3.317 7.621 -4.576 358 H TYR 35 HN TYR 35 -2.395 8.399 1.590 359 HA TYR 35 HA TYR 35 0.158 7.099 0.686 360 1HB TYR 35 2HB TYR 35 -1.645 7.484 -1.112 361 2HB TYR 35 3HB TYR 35 -1.371 9.203 -0.878 362 HD1 TYR 35 HD1 TYR 35 1.845 8.061 -0.355 363 HD2 TYR 35 HD2 TYR 35 -1.008 8.268 -3.505 364 HE1 TYR 35 HE1 TYR 35 3.636 7.948 -1.968 365 HE2 TYR 35 HE2 TYR 35 0.802 8.035 -5.122 366 HH TYR 35 HH TYR 35 4.160 7.634 -4.100 367 QB TYR 35 QB TYR 35 -1.508 8.344 -0.995 368 QR TYR 35 QR TYR 35 1.319 8.078 -2.738 369 H VAL 36 HN VAL 36 1.906 8.119 1.451 370 HA VAL 36 HA VAL 36 1.726 11.060 2.044 371 HB VAL 36 HB VAL 36 3.593 9.162 3.498 372 1HG1 VAL 36 2HG1 VAL 36 2.234 11.772 4.269 373 2HG1 VAL 36 3HG1 VAL 36 3.390 10.889 5.262 374 3HG1 VAL 36 1HG1 VAL 36 3.907 11.616 3.746 375 1HG2 VAL 36 2HG2 VAL 36 0.721 9.779 4.282 376 2HG2 VAL 36 3HG2 VAL 36 1.328 8.200 3.784 377 3HG2 VAL 36 1HG2 VAL 36 1.887 8.923 5.288 378 QG1 VAL 36 QG1 VAL 36 3.177 11.426 4.426 379 QG2 VAL 36 QG2 VAL 36 1.312 8.968 4.451 380 QQG VAL 36 QQG VAL 36 2.245 10.197 4.438 381 H ASP 37 HN ASP 37 3.739 12.268 1.521 382 HA ASP 37 HA ASP 37 5.563 10.626 -0.221 383 1HB ASP 37 2HB ASP 37 4.051 12.012 -1.637 384 2HB ASP 37 3HB ASP 37 4.692 13.451 -0.887 385 QB ASP 37 QB ASP 37 4.371 12.732 -1.262 386 H ILE 38 HN ILE 38 7.510 10.674 0.302 387 HA ILE 38 HA ILE 38 8.669 11.749 2.537 388 HB ILE 38 HB ILE 38 10.859 11.400 1.311 389 1HG1 ILE 38 2HG1 ILE 38 8.925 10.917 -0.992 390 2HG1 ILE 38 3HG1 ILE 38 10.192 12.121 -0.919 391 1HG2 ILE 38 1HG2 ILE 38 9.610 9.583 2.486 392 2HG2 ILE 38 2HG2 ILE 38 8.748 9.229 0.992 393 3HG2 ILE 38 3HG2 ILE 38 10.487 8.971 1.085 394 1HD1 ILE 38 3HD1 ILE 38 11.894 10.302 -0.828 395 2HD1 ILE 38 1HD1 ILE 38 10.604 9.116 -0.986 396 3HD1 ILE 38 2HD1 ILE 38 10.926 10.241 -2.300 397 QG1 ILE 38 QG1 ILE 38 9.558 11.519 -0.956 398 QG2 ILE 38 QG2 ILE 38 9.615 9.261 1.521 399 QD1 ILE 38 QD1 ILE 38 11.141 9.886 -1.371 400 NH1 ARG 39 NH2 ARG 39 14.059 14.466 -1.633 401 NH2 ARG 39 NH1 ARG 39 14.022 13.809 0.562 402 H ARG 39 HN ARG 39 8.422 13.423 -0.588 403 HA ARG 39 HA ARG 39 10.004 15.647 0.593 404 1HB ARG 39 2HB ARG 39 10.250 14.510 -1.861 405 2HB ARG 39 3HB ARG 39 9.047 15.731 -2.236 406 1HG ARG 39 2HG ARG 39 11.419 16.519 -2.589 407 2HG ARG 39 3HG ARG 39 10.505 17.513 -1.465 408 1HD ARG 39 2HD ARG 39 12.932 16.780 -0.800 409 2HD ARG 39 3HD ARG 39 11.672 16.697 0.425 410 HE ARG 39 HE ARG 39 11.490 14.199 -0.237 411 1HH1 ARG 39 2HH2 ARG 39 13.571 14.888 -2.401 412 2HH1 ARG 39 1HH2 ARG 39 14.999 14.147 -1.760 413 1HH2 ARG 39 2HH1 ARG 39 13.513 13.741 1.428 414 2HH2 ARG 39 1HH1 ARG 39 14.959 13.466 0.513 415 QB ARG 39 QB ARG 39 9.648 15.120 -2.049 416 QG ARG 39 QG ARG 39 10.962 17.016 -2.027 417 QD ARG 39 QD ARG 39 12.302 16.739 -0.188 418 QH1 ARG 39 QH2 ARG 39 14.285 14.518 -2.081 419 QH2 ARG 39 QH1 ARG 39 14.236 13.603 0.971 420 H ALA 40 HN ALA 40 7.130 15.002 1.136 421 HA ALA 40 HA ALA 40 6.016 17.707 0.468 422 1HB ALA 40 2HB ALA 40 4.566 15.108 1.130 423 2HB ALA 40 3HB ALA 40 3.785 16.650 0.790 424 3HB ALA 40 1HB ALA 40 4.693 15.825 -0.474 425 QB ALA 40 QB ALA 40 4.348 15.861 0.482 426 H GLU 41 HN GLU 41 6.205 15.156 2.844 427 HA GLU 41 HA GLU 41 5.379 16.982 5.018 428 1HB GLU 41 2HB GLU 41 5.900 14.017 4.821 429 2HB GLU 41 3HB GLU 41 5.759 14.797 6.393 430 1HG GLU 41 2HG GLU 41 3.567 13.879 5.587 431 2HG GLU 41 3HG GLU 41 3.510 15.620 5.824 432 QB GLU 41 QB GLU 41 5.829 14.407 5.607 433 QG GLU 41 QG GLU 41 3.539 14.750 5.706 434 H GLY 42 HN GLY 42 8.312 15.475 3.818 435 1HA GLY 42 1HA GLY 42 10.466 16.556 4.312 436 2HA GLY 42 2HA GLY 42 9.823 17.037 5.877 437 QA GLY 42 QA GLY 42 10.144 16.796 5.095 438 H ILE 43 HN ILE 43 10.297 14.011 4.049 439 HA ILE 43 HA ILE 43 11.282 12.767 6.599 440 HB ILE 43 HB ILE 43 10.304 11.213 4.190 441 1HG1 ILE 43 2HG1 ILE 43 8.590 12.303 6.460 442 2HG1 ILE 43 3HG1 ILE 43 8.500 12.807 4.776 443 1HG2 ILE 43 1HG2 ILE 43 10.371 10.623 7.182 444 2HG2 ILE 43 2HG2 ILE 43 9.825 9.507 5.937 445 3HG2 ILE 43 3HG2 ILE 43 11.508 9.994 5.990 446 1HD1 ILE 43 1HD1 ILE 43 7.882 10.475 4.128 447 2HD1 ILE 43 2HD1 ILE 43 7.903 10.021 5.830 448 3HD1 ILE 43 3HD1 ILE 43 6.723 11.186 5.246 449 QG1 ILE 43 QG1 ILE 43 8.545 12.555 5.618 450 QG2 ILE 43 QG2 ILE 43 10.568 10.041 6.370 451 QD1 ILE 43 QD1 ILE 43 7.502 10.561 5.068 452 H THR 44 HN THR 44 13.069 11.273 6.381 453 HA THR 44 HA THR 44 14.883 12.070 4.159 454 HB THR 44 HB THR 44 16.647 11.007 5.755 455 HG1 THR 44 1HG THR 44 15.099 11.243 7.914 456 1HG2 THR 44 1HG2 THR 44 14.925 13.221 6.976 457 2HG2 THR 44 2HG2 THR 44 16.602 12.877 7.383 458 3HG2 THR 44 3HG2 THR 44 16.194 13.513 5.795 459 QG2 THR 44 QG2 THR 44 15.907 13.204 6.718 460 H LYS 45 HN LYS 45 16.566 9.959 4.069 461 HA LYS 45 HA LYS 45 14.818 7.811 2.942 462 1HB LYS 45 2HB LYS 45 17.527 7.184 2.409 463 2HB LYS 45 3HB LYS 45 16.363 7.847 1.271 464 1HG LYS 45 2HG LYS 45 16.967 10.156 2.056 465 2HG LYS 45 3HG LYS 45 18.234 9.457 3.050 466 1HD LYS 45 2HD LYS 45 17.996 9.284 0.023 467 2HD LYS 45 3HD LYS 45 19.156 10.257 0.912 468 1HE LYS 45 2HE LYS 45 19.012 7.229 0.785 469 2HE LYS 45 3HE LYS 45 20.287 8.256 0.149 470 1HZ LYS 45 2HZ LYS 45 19.957 8.780 2.917 471 2HZ LYS 45 3HZ LYS 45 20.107 7.116 2.683 472 3HZ LYS 45 1HZ LYS 45 21.314 8.158 2.105 473 QB LYS 45 QB LYS 45 16.945 7.516 1.840 474 QG LYS 45 QG LYS 45 17.601 9.806 2.553 475 QD LYS 45 QD LYS 45 18.576 9.771 0.467 476 QE LYS 45 QE LYS 45 19.649 7.742 0.467 477 QZ LYS 45 QZ LYS 45 20.459 8.018 2.568 478 H GLU 46 HN GLU 46 17.718 8.220 4.995 479 HA GLU 46 HA GLU 46 17.939 5.630 5.978 480 1HB GLU 46 2HB GLU 46 18.370 8.326 7.273 481 2HB GLU 46 3HB GLU 46 18.603 6.856 8.207 482 1HG GLU 46 2HG GLU 46 20.696 7.763 7.037 483 2HG GLU 46 3HG GLU 46 20.332 6.072 6.734 484 QB GLU 46 QB GLU 46 18.486 7.591 7.740 485 QG GLU 46 QG GLU 46 20.514 6.917 6.886 486 H ASP 47 HN ASP 47 15.817 8.186 7.350 487 HA ASP 47 HA ASP 47 14.637 6.718 9.435 488 1HB ASP 47 2HB ASP 47 14.100 9.029 9.261 489 2HB ASP 47 3HB ASP 47 13.544 8.855 7.605 490 QB ASP 47 QB ASP 47 13.822 8.942 8.433 491 H LEU 48 HN LEU 48 13.627 6.816 6.058 492 HA LEU 48 HA LEU 48 11.432 4.928 6.303 493 1HB LEU 48 2HB LEU 48 12.793 6.486 4.224 494 2HB LEU 48 3HB LEU 48 12.480 4.874 3.639 495 HG LEU 48 HG LEU 48 10.393 6.699 4.908 496 1HD1 LEU 48 2HD1 LEU 48 11.200 7.579 2.739 497 2HD1 LEU 48 3HD1 LEU 48 10.893 6.017 1.987 498 3HD1 LEU 48 1HD1 LEU 48 9.549 6.982 2.586 499 1HD2 LEU 48 3HD2 LEU 48 10.122 4.074 3.380 500 2HD2 LEU 48 1HD2 LEU 48 9.861 4.278 5.107 501 3HD2 LEU 48 2HD2 LEU 48 8.779 5.054 3.957 502 QB LEU 48 QB LEU 48 12.637 5.680 3.932 503 QD1 LEU 48 QD1 LEU 48 10.547 6.859 2.438 504 QD2 LEU 48 QD2 LEU 48 9.587 4.469 4.148 505 QQD LEU 48 QQD LEU 48 10.067 5.664 3.293 506 H GLN 49 HN GLN 49 14.815 4.655 5.314 507 HA GLN 49 HA GLN 49 14.773 1.892 4.664 508 1HB GLN 49 2HB GLN 49 16.702 3.681 4.438 509 2HB GLN 49 3HB GLN 49 17.135 3.159 6.064 510 1HG GLN 49 2HG GLN 49 18.395 1.831 4.443 511 2HG GLN 49 3HG GLN 49 17.217 0.789 5.236 512 1HE2 GLN 49 2HE2 GLN 49 16.911 1.490 1.251 513 2HE2 GLN 49 1HE2 GLN 49 18.065 2.308 2.193 514 QB GLN 49 QB GLN 49 16.918 3.420 5.251 515 QG GLN 49 QG GLN 49 17.806 1.310 4.840 516 QE2 GLN 49 QE2 GLN 49 17.488 1.899 1.722 517 H GLN 50 HN GLN 50 14.963 3.637 7.625 518 HA GLN 50 HA GLN 50 15.485 1.440 9.414 519 1HB GLN 50 2HB GLN 50 15.055 4.262 9.550 520 2HB GLN 50 3HB GLN 50 13.950 3.517 10.680 521 1HG GLN 50 2HG GLN 50 15.972 3.919 11.906 522 2HG GLN 50 3HG GLN 50 15.924 2.191 11.597 523 1HE2 GLN 50 2HE2 GLN 50 18.369 3.662 8.774 524 2HE2 GLN 50 1HE2 GLN 50 16.689 3.877 8.693 525 QB GLN 50 QB GLN 50 14.502 3.889 10.115 526 QG GLN 50 QG GLN 50 15.948 3.055 11.752 527 QE2 GLN 50 QE2 GLN 50 17.529 3.769 8.733 528 H LYS 51 HN LYS 51 12.956 1.997 7.510 529 HA LYS 51 HA LYS 51 10.947 0.738 9.318 530 1HB LYS 51 2HB LYS 51 10.679 2.604 6.940 531 2HB LYS 51 3HB LYS 51 9.313 1.774 7.617 532 1HG LYS 51 2HG LYS 51 9.743 2.804 9.815 533 2HG LYS 51 3HG LYS 51 11.180 3.580 9.167 534 1HD LYS 51 2HD LYS 51 9.769 4.825 7.536 535 2HD LYS 51 3HD LYS 51 8.338 4.032 8.177 536 1HE LYS 51 2HE LYS 51 8.674 6.319 9.117 537 2HE LYS 51 3HE LYS 51 8.660 5.066 10.352 538 1HZ LYS 51 2HZ LYS 51 11.311 5.423 9.470 539 2HZ LYS 51 3HZ LYS 51 10.655 6.955 9.789 540 3HZ LYS 51 1HZ LYS 51 10.644 5.772 11.006 541 QB LYS 51 QB LYS 51 9.996 2.189 7.279 542 QG LYS 51 QG LYS 51 10.462 3.192 9.491 543 QD LYS 51 QD LYS 51 9.054 4.429 7.856 544 QE LYS 51 QE LYS 51 8.667 5.692 9.734 545 QZ LYS 51 QZ LYS 51 10.870 6.050 10.088 546 H ALA 52 HN ALA 52 12.193 0.823 6.032 547 HA ALA 52 HA ALA 52 10.775 -1.591 5.196 548 1HB ALA 52 3HB ALA 52 11.383 0.257 3.630 549 2HB ALA 52 1HB ALA 52 13.082 -0.111 3.875 550 3HB ALA 52 2HB ALA 52 12.024 -1.285 3.096 551 QB ALA 52 QB ALA 52 12.163 -0.380 3.534 552 H GLY 53 HN GLY 53 14.191 -0.808 5.709 553 1HA GLY 53 1HA GLY 53 15.814 -2.199 6.804 554 2HA GLY 53 2HA GLY 53 14.735 -3.581 6.582 555 QA GLY 53 QA GLY 53 15.274 -2.890 6.693 556 H LYS 54 HN LYS 54 14.086 -3.549 4.153 557 HA LYS 54 HA LYS 54 14.893 -4.760 2.246 558 1HB LYS 54 2HB LYS 54 15.526 -1.839 2.175 559 2HB LYS 54 3HB LYS 54 16.028 -2.810 0.808 560 1HG LYS 54 2HG LYS 54 13.628 -3.788 0.845 561 2HG LYS 54 3HG LYS 54 13.242 -2.451 1.911 562 1HD LYS 54 2HD LYS 54 14.536 -2.075 -0.789 563 2HD LYS 54 3HD LYS 54 12.800 -2.062 -0.567 564 1HE LYS 54 2HE LYS 54 13.044 -0.196 1.073 565 2HE LYS 54 3HE LYS 54 14.782 -0.210 0.807 566 1HZ LYS 54 3HZ LYS 54 13.561 -0.108 -1.696 567 2HZ LYS 54 1HZ LYS 54 12.817 1.096 -0.728 568 3HZ LYS 54 2HZ LYS 54 14.515 1.067 -0.957 569 QB LYS 54 QB LYS 54 15.777 -2.325 1.491 570 QG LYS 54 QG LYS 54 13.435 -3.119 1.378 571 QD LYS 54 QD LYS 54 13.668 -2.068 -0.678 572 QE LYS 54 QE LYS 54 13.913 -0.203 0.940 573 QZ LYS 54 QZ LYS 54 13.631 0.685 -1.127 574 HA PRO 55 HA PRO 55 19.502 -3.851 2.453 575 1HB PRO 55 2HB PRO 55 20.417 -3.553 -0.121 576 2HB PRO 55 3HB PRO 55 20.287 -5.119 0.684 577 1HG PRO 55 2HG PRO 55 18.522 -3.926 -1.423 578 2HG PRO 55 3HG PRO 55 18.898 -5.622 -1.112 579 1HD PRO 55 2HD PRO 55 16.534 -4.268 -0.313 580 2HD PRO 55 3HD PRO 55 17.061 -5.858 0.261 581 QB PRO 55 QB PRO 55 20.352 -4.336 0.282 582 QG PRO 55 QG PRO 55 18.710 -4.774 -1.267 583 QD PRO 55 QD PRO 55 16.798 -5.063 -0.026 584 H VAL 56 HN VAL 56 20.882 -1.998 1.040 585 HA VAL 56 HA VAL 56 19.269 0.436 1.424 586 HB VAL 56 HB VAL 56 21.638 1.499 1.285 587 1HG1 VAL 56 1HG1 VAL 56 20.875 -0.363 3.570 588 2HG1 VAL 56 2HG1 VAL 56 22.024 0.965 3.687 589 3HG1 VAL 56 3HG1 VAL 56 20.326 1.299 3.380 590 1HG2 VAL 56 3HG2 VAL 56 22.737 -0.526 0.361 591 2HG2 VAL 56 1HG2 VAL 56 23.462 -0.027 1.883 592 3HG2 VAL 56 2HG2 VAL 56 22.358 -1.390 1.848 593 QG1 VAL 56 QG1 VAL 56 21.075 0.634 3.546 594 QG2 VAL 56 QG2 VAL 56 22.852 -0.648 1.364 595 QQG VAL 56 QQG VAL 56 21.964 -0.007 2.455 596 H GLU 57 HN GLU 57 18.166 0.142 -0.619 597 HA GLU 57 HA GLU 57 19.896 0.801 -2.962 598 1HB GLU 57 2HB GLU 57 17.672 -0.160 -4.167 599 2HB GLU 57 3HB GLU 57 19.035 -1.159 -3.709 600 1HG GLU 57 2HG GLU 57 16.958 -2.207 -2.944 601 2HG GLU 57 3HG GLU 57 17.895 -1.698 -1.550 602 QB GLU 57 QB GLU 57 18.354 -0.659 -3.938 603 QG GLU 57 QG GLU 57 17.427 -1.952 -2.247 604 H THR 58 HN THR 58 16.354 1.064 -3.160 605 HA THR 58 HA THR 58 16.652 4.021 -3.122 606 HB THR 58 HB THR 58 15.269 2.772 -5.528 607 HG1 THR 58 1HG THR 58 18.010 2.981 -4.831 608 1HG2 THR 58 3HG2 THR 58 15.377 5.343 -5.213 609 2HG2 THR 58 1HG2 THR 58 17.124 5.195 -5.223 610 3HG2 THR 58 2HG2 THR 58 16.198 4.767 -6.654 611 QG2 THR 58 QG2 THR 58 16.233 5.102 -5.696 612 H VAL 59 HN VAL 59 14.190 4.490 -4.454 613 HA VAL 59 HA VAL 59 12.187 3.783 -2.354 614 HB VAL 59 HB VAL 59 11.217 6.092 -3.494 615 1HG1 VAL 59 3HG1 VAL 59 13.321 5.981 -1.306 616 2HG1 VAL 59 1HG1 VAL 59 12.188 7.303 -1.567 617 3HG1 VAL 59 2HG1 VAL 59 11.594 5.723 -1.066 618 1HG2 VAL 59 3HG2 VAL 59 13.178 6.329 -4.996 619 2HG2 VAL 59 1HG2 VAL 59 13.060 7.668 -3.863 620 3HG2 VAL 59 2HG2 VAL 59 14.235 6.391 -3.585 621 QG1 VAL 59 QG1 VAL 59 12.368 6.336 -1.313 622 QG2 VAL 59 QG2 VAL 59 13.491 6.796 -4.148 623 QQG VAL 59 QQG VAL 59 12.929 6.566 -2.731 624 HA PRO 60 HA PRO 60 9.875 5.122 -2.550 625 1HB PRO 60 2HB PRO 60 7.247 4.467 -3.100 626 2HB PRO 60 3HB PRO 60 8.044 5.927 -3.701 627 1HG PRO 60 2HG PRO 60 7.507 3.330 -5.141 628 2HG PRO 60 3HG PRO 60 7.446 4.982 -5.770 629 1HD PRO 60 2HD PRO 60 9.570 3.290 -6.225 630 2HD PRO 60 3HD PRO 60 9.741 5.057 -6.169 631 QB PRO 60 QB PRO 60 7.646 5.197 -3.401 632 QG PRO 60 QG PRO 60 7.477 4.156 -5.455 633 QD PRO 60 QD PRO 60 9.655 4.173 -6.197 634 H GLN 61 HN GLN 61 7.998 4.097 -1.031 635 HA GLN 61 HA GLN 61 8.551 1.160 -0.813 636 1HB GLN 61 2HB GLN 61 9.842 2.926 0.792 637 2HB GLN 61 3HB GLN 61 8.348 2.771 1.704 638 1HG GLN 61 2HG GLN 61 9.922 1.094 2.508 639 2HG GLN 61 3HG GLN 61 8.658 0.248 1.618 640 1HE2 GLN 61 2HE2 GLN 61 11.273 -1.182 -0.298 641 2HE2 GLN 61 1HE2 GLN 61 10.116 -1.493 0.899 642 QB GLN 61 QB GLN 61 9.095 2.848 1.248 643 QG GLN 61 QG GLN 61 9.290 0.671 2.063 644 QE2 GLN 61 QE2 GLN 61 10.694 -1.337 0.301 645 H ILE 62 HN ILE 62 6.964 -0.057 0.234 646 HA ILE 62 HA ILE 62 4.393 1.352 0.820 647 HB ILE 62 HB ILE 62 4.655 -1.459 -0.309 648 1HG1 ILE 62 2HG1 ILE 62 3.979 1.169 -1.677 649 2HG1 ILE 62 3HG1 ILE 62 5.324 0.094 -2.042 650 1HG2 ILE 62 2HG2 ILE 62 2.646 -1.038 1.109 651 2HG2 ILE 62 3HG2 ILE 62 2.234 0.349 0.108 652 3HG2 ILE 62 1HG2 ILE 62 2.191 -1.280 -0.566 653 1HD1 ILE 62 3HD1 ILE 62 3.700 -1.691 -2.661 654 2HD1 ILE 62 1HD1 ILE 62 2.381 -0.556 -2.382 655 3HD1 ILE 62 2HD1 ILE 62 3.543 -0.252 -3.667 656 QG1 ILE 62 QG1 ILE 62 4.651 0.631 -1.859 657 QG2 ILE 62 QG2 ILE 62 2.357 -0.657 0.217 658 QD1 ILE 62 QD1 ILE 62 3.208 -0.833 -2.903 659 H PHE 63 HN PHE 63 3.328 0.663 2.582 660 HA PHE 63 HA PHE 63 4.537 -1.511 4.247 661 1HB PHE 63 2HB PHE 63 3.963 1.341 5.121 662 2HB PHE 63 3HB PHE 63 4.204 0.022 6.264 663 HD1 PHE 63 1HD PHE 63 6.405 -1.172 6.330 664 HD2 PHE 63 2HD PHE 63 5.853 2.299 3.926 665 HE1 PHE 63 1HE PHE 63 8.836 -0.955 6.089 666 HE2 PHE 63 2HE PHE 63 8.280 2.548 3.741 667 HZ PHE 63 HZ PHE 63 9.779 0.920 4.804 668 QB PHE 63 QB PHE 63 4.083 0.682 5.692 669 QR PHE 63 QR PHE 63 7.344 0.680 5.021 670 H VAL 64 HN VAL 64 3.064 -2.357 5.863 671 HA VAL 64 HA VAL 64 0.198 -1.576 5.501 672 HB VAL 64 HB VAL 64 1.390 -4.354 5.149 673 1HG1 VAL 64 3HG1 VAL 64 -1.540 -3.601 5.473 674 2HG1 VAL 64 1HG1 VAL 64 -0.947 -5.187 5.000 675 3HG1 VAL 64 2HG1 VAL 64 -0.594 -4.568 6.607 676 1HG2 VAL 64 1HG2 VAL 64 1.269 -2.899 3.143 677 2HG2 VAL 64 2HG2 VAL 64 0.158 -4.255 3.010 678 3HG2 VAL 64 3HG2 VAL 64 -0.450 -2.653 3.425 679 QG1 VAL 64 QG1 VAL 64 -1.027 -4.452 5.693 680 QG2 VAL 64 QG2 VAL 64 0.326 -3.269 3.193 681 QQG VAL 64 QQG VAL 64 -0.351 -3.860 4.443 682 H ASP 65 HN ASP 65 -0.497 -1.078 7.533 683 HA ASP 65 HA ASP 65 -0.691 -1.118 9.882 684 1HB ASP 65 2HB ASP 65 -0.234 -4.091 9.389 685 2HB ASP 65 3HB ASP 65 -0.944 -3.399 10.846 686 QB ASP 65 QB ASP 65 -0.589 -3.745 10.117 687 H GLN 66 HN GLN 66 1.299 -3.829 10.283 688 HA GLN 66 HA GLN 66 3.643 -2.123 10.929 689 1HB GLN 66 2HB GLN 66 2.420 -4.353 12.571 690 2HB GLN 66 3HB GLN 66 4.123 -3.943 12.747 691 1HG GLN 66 2HG GLN 66 1.879 -1.913 13.016 692 2HG GLN 66 3HG GLN 66 2.612 -2.749 14.382 693 1HE2 GLN 66 2HE2 GLN 66 5.504 -0.715 14.375 694 2HE2 GLN 66 1HE2 GLN 66 4.666 -1.992 15.116 695 QB GLN 66 QB GLN 66 3.271 -4.148 12.659 696 QG GLN 66 QG GLN 66 2.245 -2.331 13.699 697 QE2 GLN 66 QE2 GLN 66 5.085 -1.354 14.746 698 H GLN 67 HN GLN 67 3.144 -3.424 8.513 699 HA GLN 67 HA GLN 67 5.296 -5.461 8.465 700 1HB GLN 67 2HB GLN 67 2.681 -5.234 6.928 701 2HB GLN 67 3HB GLN 67 3.948 -6.352 6.508 702 1HG GLN 67 2HG GLN 67 2.584 -6.260 9.217 703 2HG GLN 67 3HG GLN 67 2.177 -7.403 7.942 704 1HE2 GLN 67 2HE2 GLN 67 5.492 -8.019 10.182 705 2HE2 GLN 67 1HE2 GLN 67 4.556 -6.622 10.401 706 QB GLN 67 QB GLN 67 3.315 -5.793 6.718 707 QG GLN 67 QG GLN 67 2.381 -6.831 8.579 708 QE2 GLN 67 QE2 GLN 67 5.024 -7.320 10.292 709 H HIS 68 HN HIS 68 6.385 -5.574 6.386 710 HA HIS 68 HA HIS 68 6.379 -2.962 4.935 711 1HB HIS 68 2HB HIS 68 8.420 -3.036 6.190 712 2HB HIS 68 3HB HIS 68 8.669 -4.720 5.819 713 HD1 HIS 68 HD1 HIS 68 10.951 -4.220 4.796 714 HD2 HIS 68 HD2 HIS 68 7.963 -2.179 2.834 715 HE1 HIS 68 HE1 HIS 68 11.817 -3.696 2.502 716 QB HIS 68 QB HIS 68 8.544 -3.878 6.005 717 H ILE 69 HN ILE 69 6.412 -3.142 2.677 718 HA ILE 69 HA ILE 69 6.120 -5.929 1.667 719 HB ILE 69 HB ILE 69 5.497 -3.308 0.258 720 1HG1 ILE 69 2HG1 ILE 69 4.145 -3.355 2.272 721 2HG1 ILE 69 3HG1 ILE 69 3.111 -3.754 0.914 722 1HG2 ILE 69 1HG2 ILE 69 4.569 -6.160 -0.237 723 2HG2 ILE 69 2HG2 ILE 69 4.050 -4.747 -1.148 724 3HG2 ILE 69 3HG2 ILE 69 5.727 -5.274 -1.219 725 1HD1 ILE 69 3HD1 ILE 69 3.314 -6.177 1.472 726 2HD1 ILE 69 1HD1 ILE 69 4.347 -5.771 2.835 727 3HD1 ILE 69 2HD1 ILE 69 2.667 -5.262 2.825 728 QG1 ILE 69 QG1 ILE 69 3.628 -3.555 1.593 729 QG2 ILE 69 QG2 ILE 69 4.782 -5.394 -0.868 730 QD1 ILE 69 QD1 ILE 69 3.442 -5.737 2.378 731 H GLY 70 HN GLY 70 7.057 -3.448 -0.581 732 1HA GLY 70 1HA GLY 70 9.549 -2.922 -0.888 733 2HA GLY 70 2HA GLY 70 9.810 -4.646 -0.653 734 QA GLY 70 QA GLY 70 9.679 -3.784 -0.771 735 H GLY 71 HN GLY 71 7.849 -2.470 -2.653 736 1HA GLY 71 1HA GLY 71 8.401 -2.559 -5.135 737 2HA GLY 71 2HA GLY 71 8.298 -4.308 -4.964 738 QA GLY 71 QA GLY 71 8.350 -3.433 -5.049 739 OH TYR 72 OH TYR 72 -1.079 -3.807 -9.086 740 H TYR 72 HN TYR 72 6.611 -3.697 -6.762 741 HA TYR 72 HA TYR 72 3.991 -3.068 -5.442 742 1HB TYR 72 2HB TYR 72 4.282 -1.446 -7.164 743 2HB TYR 72 3HB TYR 72 4.896 -2.646 -8.305 744 HD1 TYR 72 HD2 TYR 72 1.908 -2.328 -6.057 745 HD2 TYR 72 HD1 TYR 72 3.326 -3.247 -9.961 746 HE1 TYR 72 HE2 TYR 72 -0.356 -3.009 -6.719 747 HE2 TYR 72 HE1 TYR 72 1.053 -3.898 -10.624 748 HH TYR 72 HH TYR 72 -1.654 -3.063 -8.847 749 QB TYR 72 QB TYR 72 4.589 -2.046 -7.734 750 QR TYR 72 QR TYR 72 1.483 -3.120 -8.340 751 H THR 73 HN THR 73 5.147 -4.962 -8.267 752 HA THR 73 HA THR 73 3.020 -6.767 -8.420 753 HB THR 73 HB THR 73 4.751 -7.021 -10.080 754 HG1 THR 73 1HG THR 73 5.607 -9.246 -9.119 755 1HG2 THR 73 1HG2 THR 73 6.667 -6.153 -8.647 756 2HG2 THR 73 2HG2 THR 73 6.674 -7.695 -7.798 757 3HG2 THR 73 3HG2 THR 73 7.073 -7.628 -9.513 758 QG2 THR 73 QG2 THR 73 6.805 -7.159 -8.653 759 H ASP 74 HN ASP 74 5.640 -6.544 -6.219 760 HA ASP 74 HA ASP 74 5.332 -8.916 -4.694 761 1HB ASP 74 2HB ASP 74 6.183 -6.218 -3.588 762 2HB ASP 74 3HB ASP 74 6.739 -7.813 -3.088 763 QB ASP 74 QB ASP 74 6.461 -7.016 -3.338 764 H PHE 75 HN PHE 75 3.910 -5.696 -4.350 765 HA PHE 75 HA PHE 75 2.406 -6.247 -1.972 766 1HB PHE 75 2HB PHE 75 2.820 -3.952 -2.713 767 2HB PHE 75 3HB PHE 75 1.963 -4.239 -4.217 768 HD1 PHE 75 2HD PHE 75 0.911 -5.287 -0.772 769 HD2 PHE 75 1HD PHE 75 0.159 -2.712 -4.079 770 HE1 PHE 75 2HE PHE 75 -1.160 -4.523 0.292 771 HE2 PHE 75 1HE PHE 75 -1.913 -1.955 -3.019 772 HZ PHE 75 HZ PHE 75 -2.576 -2.851 -0.822 773 QB PHE 75 QB PHE 75 2.391 -4.096 -3.465 774 QR PHE 75 QR PHE 75 -0.501 -3.619 -1.894 775 H ALA 76 HN ALA 76 1.678 -6.499 -5.411 776 HA ALA 76 HA ALA 76 -1.053 -7.396 -5.126 777 1HB ALA 76 1HB ALA 76 -0.095 -6.675 -7.317 778 2HB ALA 76 2HB ALA 76 0.940 -8.100 -7.321 779 3HB ALA 76 3HB ALA 76 -0.810 -8.279 -7.427 780 QB ALA 76 QB ALA 76 0.012 -7.685 -7.355 781 H ALA 77 HN ALA 77 1.894 -9.334 -5.688 782 HA ALA 77 HA ALA 77 0.671 -11.876 -5.258 783 1HB ALA 77 1HB ALA 77 3.043 -11.595 -6.030 784 2HB ALA 77 2HB ALA 77 3.485 -11.012 -4.432 785 3HB ALA 77 3HB ALA 77 2.938 -12.673 -4.642 786 QB ALA 77 QB ALA 77 3.155 -11.760 -5.035 787 CH2 TRP 78 CH2 TRP 78 -1.478 -6.859 2.989 788 H TRP 78 HN TRP 78 2.344 -9.777 -2.944 789 HA TRP 78 HA TRP 78 2.058 -11.033 -0.543 790 1HB TRP 78 2HB TRP 78 2.988 -8.805 -0.757 791 2HB TRP 78 3HB TRP 78 1.451 -8.160 -1.221 792 HD1 TRP 78 HD1 TRP 78 3.413 -9.223 1.887 793 HE1 TRP 78 HE1 TRP 78 2.189 -8.513 3.941 794 HE3 TRP 78 HE3 TRP 78 -0.740 -7.468 -0.273 795 HZ2 TRP 78 HZ2 TRP 78 -0.205 -7.289 4.653 796 HZ3 TRP 78 HZ3 TRP 78 -2.540 -6.544 1.163 797 HH2 TRP 78 HH2 TRP 78 -2.261 -6.434 3.604 798 QB TRP 78 QB TRP 78 2.219 -8.483 -0.989 799 H VAL 79 HN VAL 79 -0.487 -9.028 -1.965 800 HA VAL 79 HA VAL 79 -2.558 -9.377 -0.178 801 HB VAL 79 HB VAL 79 -2.577 -9.308 -3.213 802 1HG1 VAL 79 2HG1 VAL 79 -4.979 -9.142 -1.360 803 2HG1 VAL 79 3HG1 VAL 79 -5.001 -8.802 -3.083 804 3HG1 VAL 79 1HG1 VAL 79 -4.665 -10.428 -2.515 805 1HG2 VAL 79 1HG2 VAL 79 -1.806 -7.282 -2.028 806 2HG2 VAL 79 2HG2 VAL 79 -3.321 -7.002 -2.849 807 3HG2 VAL 79 3HG2 VAL 79 -3.302 -7.241 -1.110 808 QG1 VAL 79 QG1 VAL 79 -4.881 -9.457 -2.319 809 QG2 VAL 79 QG2 VAL 79 -2.810 -7.175 -1.996 810 QQG VAL 79 QQG VAL 79 -3.846 -8.316 -2.157 811 H LYS 80 HN LYS 80 -2.081 -11.512 -2.946 812 HA LYS 80 HA LYS 80 -4.037 -13.409 -2.535 813 1HB LYS 80 2HB LYS 80 -2.042 -13.062 -4.289 814 2HB LYS 80 3HB LYS 80 -1.338 -14.395 -3.406 815 1HG LYS 80 2HG LYS 80 -4.217 -14.585 -4.335 816 2HG LYS 80 3HG LYS 80 -2.937 -14.790 -5.515 817 1HD LYS 80 2HD LYS 80 -3.012 -16.972 -4.895 818 2HD LYS 80 3HD LYS 80 -2.020 -16.432 -3.562 819 1HE LYS 80 2HE LYS 80 -4.624 -15.895 -2.684 820 2HE LYS 80 3HE LYS 80 -4.795 -17.406 -3.563 821 1HZ LYS 80 2HZ LYS 80 -2.492 -17.561 -1.967 822 2HZ LYS 80 3HZ LYS 80 -3.767 -16.970 -1.010 823 3HZ LYS 80 1HZ LYS 80 -3.941 -18.451 -1.816 824 QB LYS 80 QB LYS 80 -1.690 -13.728 -3.848 825 QG LYS 80 QG LYS 80 -3.577 -14.688 -4.925 826 QD LYS 80 QD LYS 80 -2.516 -16.702 -4.228 827 QE LYS 80 QE LYS 80 -4.709 -16.650 -3.123 828 QZ LYS 80 QZ LYS 80 -3.400 -17.660 -1.598 829 H GLU 81 HN GLU 81 -1.070 -13.208 -0.633 830 HA GLU 81 HA GLU 81 -1.906 -15.727 0.781 831 1HB GLU 81 2HB GLU 81 0.751 -14.369 0.356 832 2HB GLU 81 3HB GLU 81 0.540 -15.330 1.808 833 1HG GLU 81 2HG GLU 81 1.513 -16.688 -0.004 834 2HG GLU 81 3HG GLU 81 -0.083 -17.294 0.422 835 QB GLU 81 QB GLU 81 0.645 -14.849 1.082 836 QG GLU 81 QG GLU 81 0.715 -16.991 0.209 837 H ASN 82 HN ASN 82 -1.319 -12.318 1.340 838 HA ASN 82 HA ASN 82 -1.425 -12.672 4.258 839 1HB ASN 82 2HB ASN 82 -1.298 -10.235 2.459 840 2HB ASN 82 3HB ASN 82 -1.476 -10.102 4.208 841 1HD2 ASN 82 2HD2 ASN 82 2.036 -11.628 2.723 842 2HD2 ASN 82 1HD2 ASN 82 0.634 -11.715 1.768 843 QB ASN 82 QB ASN 82 -1.387 -10.168 3.333 844 QD2 ASN 82 QD2 ASN 82 1.335 -11.672 2.246 845 H LEU 83 HN LEU 83 -3.649 -11.728 1.713 846 HA LEU 83 HA LEU 83 -5.779 -11.347 3.789 847 1HB LEU 83 2HB LEU 83 -5.913 -10.742 0.810 848 2HB LEU 83 3HB LEU 83 -7.107 -10.308 2.021 849 HG LEU 83 HG LEU 83 -4.263 -9.241 1.872 850 1HD1 LEU 83 1HD1 LEU 83 -5.816 -8.316 0.173 851 2HD1 LEU 83 2HD1 LEU 83 -6.956 -7.900 1.443 852 3HD1 LEU 83 3HD1 LEU 83 -5.391 -7.100 1.363 853 1HD2 LEU 83 1HD2 LEU 83 -6.527 -8.598 3.813 854 2HD2 LEU 83 2HD2 LEU 83 -5.031 -9.441 4.217 855 3HD2 LEU 83 3HD2 LEU 83 -4.985 -7.752 3.735 856 QB LEU 83 QB LEU 83 -6.510 -10.525 1.415 857 QD1 LEU 83 QD1 LEU 83 -6.054 -7.772 0.993 858 QD2 LEU 83 QD2 LEU 83 -5.514 -8.597 3.922 859 QQD LEU 83 QQD LEU 83 -5.784 -8.184 2.457 860 H ASP 84 HN ASP 84 -4.907 -12.868 0.828 861 HA ASP 84 HA ASP 84 -5.438 -14.803 -0.265 862 1HB ASP 84 2HB ASP 84 -4.618 -15.787 1.834 863 2HB ASP 84 3HB ASP 84 -6.228 -15.724 2.503 864 QB ASP 84 QB ASP 84 -5.423 -15.756 2.168 865 H ALA 85 HN ALA 85 -7.910 -14.564 2.114 866 HA ALA 85 HA ALA 85 -9.994 -14.594 -0.025 867 1HB ALA 85 2HB ALA 85 -9.938 -16.739 1.224 868 2HB ALA 85 3HB ALA 85 -10.126 -15.861 2.740 869 3HB ALA 85 1HB ALA 85 -11.432 -15.866 1.558 870 QB ALA 85 QB ALA 85 -10.499 -16.155 1.840 Start of MODEL 13 Raw file had 870 H/Q atoms Start of MODEL 13 1 H MET 1 HN MET 1 -4.894 -3.536 9.393 2 HA MET 1 HA MET 1 -3.950 -3.770 6.786 3 1HB MET 1 2HB MET 1 -6.690 -3.041 7.853 4 2HB MET 1 3HB MET 1 -6.387 -3.438 6.170 5 1HG MET 1 2HG MET 1 -6.973 -5.229 8.228 6 2HG MET 1 3HG MET 1 -6.473 -5.613 6.608 7 1HE MET 1 2HE MET 1 -4.717 -6.284 5.787 8 2HE MET 1 3HE MET 1 -3.079 -6.268 6.430 9 3HE MET 1 1HE MET 1 -4.102 -7.690 6.646 10 QB MET 1 QB MET 1 -6.539 -3.239 7.011 11 QG MET 1 QG MET 1 -6.723 -5.421 7.418 12 QE MET 1 QE MET 1 -3.966 -6.747 6.288 13 H GLN 2 HN GLN 2 -2.852 -1.429 7.809 14 HA GLN 2 HA GLN 2 -3.999 0.730 6.198 15 1HB GLN 2 2HB GLN 2 -2.397 0.567 8.735 16 2HB GLN 2 3HB GLN 2 -2.226 1.989 7.730 17 1HG GLN 2 2HG GLN 2 -3.986 2.215 9.525 18 2HG GLN 2 3HG GLN 2 -4.602 2.477 7.905 19 1HE2 GLN 2 2HE2 GLN 2 -7.157 0.183 8.664 20 2HE2 GLN 2 1HE2 GLN 2 -6.755 1.769 8.209 21 QB GLN 2 QB GLN 2 -2.312 1.278 8.233 22 QG GLN 2 QG GLN 2 -4.294 2.346 8.715 23 QE2 GLN 2 QE2 GLN 2 -6.956 0.976 8.437 24 H THR 3 HN THR 3 -3.137 0.311 4.289 25 HA THR 3 HA THR 3 -0.361 -0.625 4.007 26 HB THR 3 HB THR 3 -2.486 0.013 1.883 27 HG1 THR 3 1HG THR 3 -3.405 -1.574 3.005 28 1HG2 THR 3 3HG2 THR 3 -0.127 -0.440 1.055 29 2HG2 THR 3 1HG2 THR 3 -0.173 -1.973 1.920 30 3HG2 THR 3 2HG2 THR 3 -1.283 -1.677 0.586 31 QG2 THR 3 QG2 THR 3 -0.528 -1.363 1.187 32 H VAL 4 HN VAL 4 1.062 0.995 4.312 33 HA VAL 4 HA VAL 4 0.515 3.717 3.251 34 HB VAL 4 HB VAL 4 2.797 2.683 4.982 35 1HG1 VAL 4 2HG1 VAL 4 1.986 5.523 4.229 36 2HG1 VAL 4 3HG1 VAL 4 3.246 5.095 5.386 37 3HG1 VAL 4 1HG1 VAL 4 3.439 4.680 3.687 38 1HG2 VAL 4 2HG2 VAL 4 0.342 4.307 5.729 39 2HG2 VAL 4 3HG2 VAL 4 0.618 2.625 6.154 40 3HG2 VAL 4 1HG2 VAL 4 1.657 3.885 6.821 41 QG1 VAL 4 QG1 VAL 4 2.890 5.099 4.434 42 QG2 VAL 4 QG2 VAL 4 0.872 3.606 6.235 43 QQG VAL 4 QQG VAL 4 1.881 4.353 5.335 44 H ILE 5 HN ILE 5 1.425 4.459 1.485 45 HA ILE 5 HA ILE 5 3.675 2.938 0.232 46 HB ILE 5 HB ILE 5 1.564 4.723 -1.083 47 1HG1 ILE 5 2HG1 ILE 5 0.958 2.743 -2.422 48 2HG1 ILE 5 3HG1 ILE 5 2.123 1.775 -1.542 49 1HG2 ILE 5 2HG2 ILE 5 3.973 3.275 -2.238 50 2HG2 ILE 5 3HG2 ILE 5 2.722 4.049 -3.203 51 3HG2 ILE 5 1HG2 ILE 5 3.741 5.020 -2.150 52 1HD1 ILE 5 3HD1 ILE 5 -0.275 3.142 -0.278 53 2HD1 ILE 5 1HD1 ILE 5 -0.213 1.442 -0.731 54 3HD1 ILE 5 2HD1 ILE 5 0.837 2.049 0.535 55 QG1 ILE 5 QG1 ILE 5 1.541 2.259 -1.982 56 QG2 ILE 5 QG2 ILE 5 3.479 4.115 -2.530 57 QD1 ILE 5 QD1 ILE 5 0.116 2.211 -0.158 58 H PHE 6 HN PHE 6 5.522 4.001 0.516 59 HA PHE 6 HA PHE 6 5.479 7.002 0.717 60 1HB PHE 6 2HB PHE 6 7.271 4.869 1.860 61 2HB PHE 6 3HB PHE 6 8.007 6.403 1.443 62 HD1 PHE 6 2HD PHE 6 4.498 6.419 2.545 63 HD2 PHE 6 1HD PHE 6 8.533 6.824 3.834 64 HE1 PHE 6 2HE PHE 6 3.733 7.337 4.677 65 HE2 PHE 6 1HE PHE 6 7.758 7.678 5.990 66 HZ PHE 6 HZ PHE 6 5.361 7.978 6.408 67 QB PHE 6 QB PHE 6 7.639 5.636 1.651 68 QR PHE 6 QR PHE 6 6.131 7.064 4.262 69 H GLY 7 HN GLY 7 5.548 7.607 -1.391 70 1HA GLY 7 1HA GLY 7 7.847 6.569 -3.004 71 2HA GLY 7 2HA GLY 7 6.253 6.708 -3.719 72 QA GLY 7 QA GLY 7 7.050 6.638 -3.361 73 NH1 ARG 8 NH1 ARG 8 7.995 14.623 -5.102 74 NH2 ARG 8 NH2 ARG 8 8.326 15.105 -7.316 75 H ARG 8 HN ARG 8 7.297 7.992 -5.279 76 HA ARG 8 HA ARG 8 7.582 10.834 -4.406 77 1HB ARG 8 2HB ARG 8 9.555 9.208 -5.619 78 2HB ARG 8 3HB ARG 8 8.910 10.168 -6.939 79 1HG ARG 8 2HG ARG 8 9.430 11.707 -4.453 80 2HG ARG 8 3HG ARG 8 10.862 11.019 -5.202 81 1HD ARG 8 2HD ARG 8 10.522 13.229 -6.141 82 2HD ARG 8 3HD ARG 8 10.151 12.049 -7.394 83 HE ARG 8 HE ARG 8 7.717 12.477 -6.928 84 1HH1 ARG 8 2HH1 ARG 8 7.901 13.920 -4.383 85 2HH1 ARG 8 1HH1 ARG 8 7.856 15.574 -4.869 86 1HH2 ARG 8 2HH2 ARG 8 8.499 14.756 -8.236 87 2HH2 ARG 8 1HH2 ARG 8 8.178 16.081 -7.174 88 QB ARG 8 QB ARG 8 9.233 9.688 -6.279 89 QG ARG 8 QG ARG 8 10.146 11.363 -4.827 90 QD ARG 8 QD ARG 8 10.337 12.639 -6.768 91 QH1 ARG 8 QH1 ARG 8 7.878 14.747 -4.626 92 QH2 ARG 8 QH2 ARG 8 8.339 15.419 -7.705 93 H SER 9 HN SER 9 6.156 12.114 -5.369 94 HA SER 9 HA SER 9 4.041 11.243 -6.965 95 1HB SER 9 2HB SER 9 4.099 13.801 -7.773 96 2HB SER 9 3HB SER 9 3.716 13.416 -6.083 97 HG SER 9 HG SER 9 5.781 13.839 -5.492 98 QB SER 9 QB SER 9 3.907 13.608 -6.928 99 H GLY 10 HN GLY 10 4.357 10.083 -8.748 100 1HA GLY 10 1HA GLY 10 4.680 10.714 -11.261 101 2HA GLY 10 2HA GLY 10 6.330 11.063 -10.770 102 QA GLY 10 QA GLY 10 5.505 10.889 -11.016 103 H CYS 11 HN CYS 11 5.857 8.654 -8.802 104 HA CYS 11 HA CYS 11 6.827 6.638 -10.739 105 1HB CYS 11 2HB CYS 11 6.640 6.602 -7.726 106 2HB CYS 11 3HB CYS 11 7.300 5.301 -8.678 107 HG CYS 11 HG CYS 11 8.718 7.954 -8.055 108 QB CYS 11 QB CYS 11 6.970 5.952 -8.202 109 HA PRO 12 HA PRO 12 2.369 5.938 -10.873 110 1HB PRO 12 2HB PRO 12 2.372 4.120 -12.977 111 2HB PRO 12 3HB PRO 12 2.447 5.878 -13.178 112 1HG PRO 12 2HG PRO 12 4.684 3.858 -13.259 113 2HG PRO 12 3HG PRO 12 4.444 5.290 -14.273 114 1HD PRO 12 2HD PRO 12 6.210 5.270 -12.185 115 2HD PRO 12 3HD PRO 12 5.317 6.732 -12.655 116 QB PRO 12 QB PRO 12 2.410 4.999 -13.077 117 QG PRO 12 QG PRO 12 4.564 4.574 -13.766 118 QD PRO 12 QD PRO 12 5.763 6.001 -12.420 119 OH TYR 13 OH TYR 13 7.654 -1.421 -12.883 120 H TYR 13 HN TYR 13 4.670 3.751 -9.916 121 HA TYR 13 HA TYR 13 3.071 1.329 -9.770 122 1HB TYR 13 2HB TYR 13 5.603 2.260 -8.387 123 2HB TYR 13 3HB TYR 13 4.830 0.750 -7.938 124 HD1 TYR 13 HD1 TYR 13 4.170 1.023 -11.378 125 HD2 TYR 13 HD2 TYR 13 7.411 0.293 -8.703 126 HE1 TYR 13 HE1 TYR 13 5.324 -0.247 -13.112 127 HE2 TYR 13 HE2 TYR 13 8.569 -0.955 -10.466 128 HH TYR 13 HH TYR 13 7.973 -2.238 -12.491 129 QB TYR 13 QB TYR 13 5.217 1.505 -8.162 130 QR TYR 13 QR TYR 13 6.368 0.028 -10.915 131 H CYS 14 HN CYS 14 3.699 4.103 -7.693 132 HA CYS 14 HA CYS 14 2.441 3.050 -5.333 133 1HB CYS 14 2HB CYS 14 3.634 5.065 -5.048 134 2HB CYS 14 3HB CYS 14 2.813 5.847 -6.369 135 HG CYS 14 HG CYS 14 1.858 5.774 -3.480 136 QB CYS 14 QB CYS 14 3.223 5.456 -5.709 137 H VAL 15 HN VAL 15 1.226 4.807 -8.127 138 HA VAL 15 HA VAL 15 -1.484 5.037 -7.333 139 HB VAL 15 HB VAL 15 -0.353 4.597 -10.133 140 1HG1 VAL 15 2HG1 VAL 15 -3.037 5.724 -9.227 141 2HG1 VAL 15 3HG1 VAL 15 -2.464 5.651 -10.890 142 3HG1 VAL 15 1HG1 VAL 15 -2.796 4.169 -10.011 143 1HG2 VAL 15 3HG2 VAL 15 0.571 6.587 -8.960 144 2HG2 VAL 15 1HG2 VAL 15 -0.477 7.063 -10.292 145 3HG2 VAL 15 2HG2 VAL 15 -1.064 7.148 -8.630 146 QG1 VAL 15 QG1 VAL 15 -2.766 5.181 -10.043 147 QG2 VAL 15 QG2 VAL 15 -0.323 6.933 -9.294 148 QQG VAL 15 QQG VAL 15 -1.545 6.057 -9.668 149 NH1 ARG 16 NH2 ARG 16 -3.281 1.282 -13.586 150 NH2 ARG 16 NH1 ARG 16 -3.773 2.275 -11.616 151 H ARG 16 HN ARG 16 -0.017 2.522 -9.403 152 HA ARG 16 HA ARG 16 -2.246 0.800 -9.493 153 1HB ARG 16 2HB ARG 16 0.679 -0.016 -9.268 154 2HB ARG 16 3HB ARG 16 -0.615 -1.071 -9.813 155 1HG ARG 16 2HG ARG 16 -0.166 1.585 -11.185 156 2HG ARG 16 3HG ARG 16 0.857 0.220 -11.586 157 1HD ARG 16 2HD ARG 16 -1.035 0.339 -13.143 158 2HD ARG 16 3HD ARG 16 -1.155 -1.116 -12.164 159 HE ARG 16 HE ARG 16 -3.012 -0.104 -10.930 160 1HH1 ARG 16 2HH2 ARG 16 -2.870 0.518 -14.073 161 2HH1 ARG 16 1HH2 ARG 16 -3.750 2.002 -14.095 162 1HH2 ARG 16 2HH1 ARG 16 -3.737 2.264 -10.612 163 2HH2 ARG 16 1HH1 ARG 16 -4.266 3.015 -12.072 164 QB ARG 16 QB ARG 16 0.032 -0.544 -9.541 165 QG ARG 16 QG ARG 16 0.346 0.903 -11.386 166 QD ARG 16 QD ARG 16 -1.095 -0.389 -12.653 167 QH1 ARG 16 QH2 ARG 16 -3.310 1.260 -14.084 168 QH2 ARG 16 QH1 ARG 16 -4.001 2.640 -11.342 169 H ALA 17 HN ALA 17 0.320 0.820 -6.964 170 HA ALA 17 HA ALA 17 -0.875 -1.214 -5.383 171 1HB ALA 17 3HB ALA 17 1.346 -0.242 -4.837 172 2HB ALA 17 1HB ALA 17 0.563 1.260 -4.362 173 3HB ALA 17 2HB ALA 17 0.276 -0.214 -3.439 174 QB ALA 17 QB ALA 17 0.728 0.268 -4.213 175 H LYS 18 HN LYS 18 -1.352 2.310 -5.130 176 HA LYS 18 HA LYS 18 -3.357 2.380 -3.187 177 1HB LYS 18 2HB LYS 18 -2.717 4.501 -3.885 178 2HB LYS 18 3HB LYS 18 -2.716 4.065 -5.580 179 1HG LYS 18 2HG LYS 18 -5.392 3.996 -4.280 180 2HG LYS 18 3HG LYS 18 -4.653 5.581 -4.387 181 1HD LYS 18 2HD LYS 18 -4.422 5.442 -6.775 182 2HD LYS 18 3HD LYS 18 -4.847 3.743 -6.802 183 1HE LYS 18 2HE LYS 18 -6.702 5.986 -5.923 184 2HE LYS 18 3HE LYS 18 -6.721 5.232 -7.512 185 1HZ LYS 18 1HZ LYS 18 -6.844 3.187 -5.651 186 2HZ LYS 18 2HZ LYS 18 -7.970 4.351 -5.136 187 3HZ LYS 18 3HZ LYS 18 -8.074 3.695 -6.707 188 QB LYS 18 QB LYS 18 -2.717 4.283 -4.733 189 QG LYS 18 QG LYS 18 -5.023 4.789 -4.333 190 QD LYS 18 QD LYS 18 -4.634 4.592 -6.789 191 QE LYS 18 QE LYS 18 -6.712 5.609 -6.717 192 QZ LYS 18 QZ LYS 18 -7.629 3.744 -5.832 193 H ASP 19 HN ASP 19 -3.807 1.925 -6.664 194 HA ASP 19 HA ASP 19 -6.636 1.517 -6.584 195 1HB ASP 19 2HB ASP 19 -4.452 0.723 -8.510 196 2HB ASP 19 3HB ASP 19 -6.130 0.344 -8.841 197 QB ASP 19 QB ASP 19 -5.291 0.533 -8.676 198 H LEU 20 HN LEU 20 -4.048 -0.901 -6.821 199 HA LEU 20 HA LEU 20 -5.619 -3.186 -6.596 200 1HB LEU 20 2HB LEU 20 -3.237 -3.423 -6.950 201 2HB LEU 20 3HB LEU 20 -2.873 -2.625 -5.427 202 HG LEU 20 HG LEU 20 -3.797 -4.486 -4.152 203 1HD1 LEU 20 3HD1 LEU 20 -4.591 -5.643 -6.853 204 2HD1 LEU 20 1HD1 LEU 20 -4.735 -6.481 -5.314 205 3HD1 LEU 20 2HD1 LEU 20 -5.703 -5.050 -5.628 206 1HD2 LEU 20 2HD2 LEU 20 -1.483 -4.744 -4.995 207 2HD2 LEU 20 3HD2 LEU 20 -2.293 -6.301 -4.870 208 3HD2 LEU 20 1HD2 LEU 20 -2.100 -5.531 -6.443 209 QB LEU 20 QB LEU 20 -3.055 -3.024 -6.188 210 QD1 LEU 20 QD1 LEU 20 -5.010 -5.725 -5.932 211 QD2 LEU 20 QD2 LEU 20 -1.958 -5.525 -5.436 212 QQD LEU 20 QQD LEU 20 -3.484 -5.625 -5.684 213 H ALA 21 HN ALA 21 -4.155 -1.374 -3.900 214 HA ALA 21 HA ALA 21 -5.441 -2.856 -1.813 215 1HB ALA 21 2HB ALA 21 -4.537 0.050 -1.841 216 2HB ALA 21 3HB ALA 21 -4.963 -0.858 -0.398 217 3HB ALA 21 1HB ALA 21 -3.559 -1.325 -1.348 218 QB ALA 21 QB ALA 21 -4.353 -0.711 -1.196 219 H GLU 22 HN GLU 22 -6.479 -0.075 -3.719 220 HA GLU 22 HA GLU 22 -8.756 0.667 -2.263 221 1HB GLU 22 2HB GLU 22 -7.893 1.782 -4.322 222 2HB GLU 22 3HB GLU 22 -8.558 0.475 -5.281 223 1HG GLU 22 2HG GLU 22 -10.688 1.233 -5.100 224 2HG GLU 22 3HG GLU 22 -10.489 1.709 -3.414 225 QB GLU 22 QB GLU 22 -8.226 1.128 -4.801 226 QG GLU 22 QG GLU 22 -10.588 1.471 -4.257 227 H LYS 23 HN LYS 23 -8.520 -1.921 -4.731 228 HA LYS 23 HA LYS 23 -11.157 -2.850 -4.761 229 1HB LYS 23 2HB LYS 23 -9.406 -3.998 -6.069 230 2HB LYS 23 3HB LYS 23 -8.635 -4.572 -4.605 231 1HG LYS 23 2HG LYS 23 -11.522 -5.307 -5.000 232 2HG LYS 23 3HG LYS 23 -10.355 -6.097 -6.043 233 1HD LYS 23 2HD LYS 23 -9.057 -6.629 -3.817 234 2HD LYS 23 3HD LYS 23 -10.579 -6.250 -3.021 235 1HE LYS 23 2HE LYS 23 -11.730 -7.977 -4.382 236 2HE LYS 23 3HE LYS 23 -10.225 -8.343 -5.210 237 1HZ LYS 23 1HZ LYS 23 -9.905 -8.522 -2.372 238 2HZ LYS 23 2HZ LYS 23 -11.167 -9.524 -2.893 239 3HZ LYS 23 3HZ LYS 23 -9.603 -9.695 -3.584 240 QB LYS 23 QB LYS 23 -9.020 -4.285 -5.337 241 QG LYS 23 QG LYS 23 -10.938 -5.702 -5.522 242 QD LYS 23 QD LYS 23 -9.818 -6.440 -3.419 243 QE LYS 23 QE LYS 23 -10.978 -8.160 -4.796 244 QZ LYS 23 QZ LYS 23 -10.225 -9.247 -2.950 245 H LEU 24 HN LEU 24 -8.692 -4.031 -2.551 246 HA LEU 24 HA LEU 24 -10.219 -5.594 -0.803 247 1HB LEU 24 2HB LEU 24 -7.968 -3.649 -0.120 248 2HB LEU 24 3HB LEU 24 -8.534 -4.900 0.959 249 HG LEU 24 HG LEU 24 -7.572 -5.545 -1.845 250 1HD1 LEU 24 2HD1 LEU 24 -5.791 -4.341 -0.587 251 2HD1 LEU 24 3HD1 LEU 24 -5.960 -5.483 0.727 252 3HD1 LEU 24 1HD1 LEU 24 -5.375 -6.025 -0.841 253 1HD2 LEU 24 3HD2 LEU 24 -8.887 -7.267 -0.619 254 2HD2 LEU 24 1HD2 LEU 24 -7.224 -7.777 -0.839 255 3HD2 LEU 24 2HD2 LEU 24 -7.763 -7.169 0.725 256 QB LEU 24 QB LEU 24 -8.251 -4.274 0.419 257 QD1 LEU 24 QD1 LEU 24 -5.709 -5.283 -0.234 258 QD2 LEU 24 QD2 LEU 24 -7.958 -7.404 -0.244 259 QQD LEU 24 QQD LEU 24 -6.833 -6.344 -0.239 260 H SER 25 HN SER 25 -9.511 -2.166 -0.601 261 HA SER 25 HA SER 25 -11.094 -1.491 1.615 262 1HB SER 25 2HB SER 25 -9.438 -0.060 0.131 263 2HB SER 25 3HB SER 25 -10.912 0.381 -0.743 264 HG SER 25 HG SER 25 -10.595 0.431 2.080 265 QB SER 25 QB SER 25 -10.175 0.161 -0.306 266 H ASN 26 HN ASN 26 -12.091 -1.859 -1.758 267 HA ASN 26 HA ASN 26 -14.924 -1.271 -0.958 268 1HB ASN 26 2HB ASN 26 -13.901 -0.101 -2.984 269 2HB ASN 26 3HB ASN 26 -13.801 -1.680 -3.746 270 1HD2 ASN 26 2HD2 ASN 26 -17.229 -1.748 -4.597 271 2HD2 ASN 26 1HD2 ASN 26 -15.747 -2.580 -4.617 272 QB ASN 26 QB ASN 26 -13.851 -0.890 -3.365 273 QD2 ASN 26 QD2 ASN 26 -16.488 -2.164 -4.607 274 H GLU 27 HN GLU 27 -13.580 -3.620 -0.209 275 HA GLU 27 HA GLU 27 -15.237 -5.702 -1.593 276 1HB GLU 27 2HB GLU 27 -12.781 -5.874 -2.132 277 2HB GLU 27 3HB GLU 27 -12.437 -5.982 -0.415 278 1HG GLU 27 2HG GLU 27 -14.020 -8.024 -0.399 279 2HG GLU 27 3HG GLU 27 -13.879 -7.982 -2.148 280 QB GLU 27 QB GLU 27 -12.609 -5.928 -1.274 281 QG GLU 27 QG GLU 27 -13.950 -8.003 -1.274 282 NH1 ARG 28 NH1 ARG 28 -9.911 -9.282 3.049 283 NH2 ARG 28 NH2 ARG 28 -11.498 -9.759 1.465 284 H ARG 28 HN ARG 28 -13.338 -4.886 1.170 285 HA ARG 28 HA ARG 28 -15.298 -6.105 3.074 286 1HB ARG 28 2HB ARG 28 -13.319 -6.726 4.449 287 2HB ARG 28 3HB ARG 28 -13.182 -7.419 2.836 288 1HG ARG 28 2HG ARG 28 -11.932 -5.143 2.295 289 2HG ARG 28 3HG ARG 28 -11.714 -5.072 4.025 290 1HD ARG 28 2HD ARG 28 -9.794 -6.128 2.930 291 2HD ARG 28 3HD ARG 28 -10.620 -7.239 4.012 292 HE ARG 28 HE ARG 28 -11.107 -7.300 1.027 293 1HH1 ARG 28 2HH1 ARG 28 -9.404 -8.584 3.564 294 2HH1 ARG 28 1HH1 ARG 28 -9.748 -10.248 3.228 295 1HH2 ARG 28 2HH2 ARG 28 -12.155 -9.430 0.776 296 2HH2 ARG 28 1HH2 ARG 28 -11.379 -10.739 1.590 297 QB ARG 28 QB ARG 28 -13.250 -7.073 3.642 298 QG ARG 28 QG ARG 28 -11.823 -5.107 3.160 299 QD ARG 28 QD ARG 28 -10.207 -6.683 3.471 300 QH1 ARG 28 QH1 ARG 28 -9.576 -9.416 3.396 301 QH2 ARG 28 QH2 ARG 28 -11.767 -10.085 1.183 302 H ASP 29 HN ASP 29 -14.611 -5.082 5.428 303 HA ASP 29 HA ASP 29 -14.383 -2.122 4.989 304 1HB ASP 29 2HB ASP 29 -15.755 -1.916 7.073 305 2HB ASP 29 3HB ASP 29 -16.608 -2.775 5.795 306 QB ASP 29 QB ASP 29 -16.181 -2.345 6.434 307 H ASP 30 HN ASP 30 -12.250 -4.122 5.480 308 HA ASP 30 HA ASP 30 -11.170 -2.977 8.026 309 1HB ASP 30 2HB ASP 30 -9.887 -5.047 8.305 310 2HB ASP 30 3HB ASP 30 -11.595 -5.424 8.141 311 QB ASP 30 QB ASP 30 -10.741 -5.235 8.223 312 H PHE 31 HN PHE 31 -10.686 -2.940 4.669 313 HA PHE 31 HA PHE 31 -7.749 -2.536 5.034 314 1HB PHE 31 2HB PHE 31 -8.922 -4.218 3.335 315 2HB PHE 31 3HB PHE 31 -8.954 -2.785 2.314 316 HD1 PHE 31 1HD PHE 31 -6.820 -1.715 1.611 317 HD2 PHE 31 2HD PHE 31 -6.838 -5.263 3.991 318 HE1 PHE 31 1HE PHE 31 -4.411 -2.007 1.221 319 HE2 PHE 31 2HE PHE 31 -4.433 -5.547 3.566 320 HZ PHE 31 HZ PHE 31 -3.224 -3.929 2.182 321 QB PHE 31 QB PHE 31 -8.938 -3.501 2.824 322 QR PHE 31 QR PHE 31 -5.626 -3.633 2.597 323 H GLN 32 HN GLN 32 -6.813 -0.636 4.772 324 HA GLN 32 HA GLN 32 -8.101 1.406 3.023 325 1HB GLN 32 2HB GLN 32 -7.105 1.898 5.861 326 2HB GLN 32 3HB GLN 32 -7.497 3.174 4.722 327 1HG GLN 32 2HG GLN 32 -9.471 2.921 6.041 328 2HG GLN 32 3HG GLN 32 -9.835 2.114 4.524 329 1HE2 GLN 32 2HE2 GLN 32 -8.802 -0.787 7.144 330 2HE2 GLN 32 1HE2 GLN 32 -7.644 0.300 6.537 331 QB GLN 32 QB GLN 32 -7.301 2.536 5.291 332 QG GLN 32 QG GLN 32 -9.653 2.518 5.283 333 QE2 GLN 32 QE2 GLN 32 -8.223 -0.243 6.840 334 OH TYR 33 OH TYR 33 -7.530 5.527 -2.906 335 H TYR 33 HN TYR 33 -6.508 2.936 2.150 336 HA TYR 33 HA TYR 33 -3.684 2.009 2.528 337 1HB TYR 33 2HB TYR 33 -3.238 2.443 0.158 338 2HB TYR 33 3HB TYR 33 -4.542 1.277 0.325 339 HD1 TYR 33 HD1 TYR 33 -6.891 1.925 -0.230 340 HD2 TYR 33 HD2 TYR 33 -3.670 4.671 -0.743 341 HE1 TYR 33 HE1 TYR 33 -8.286 3.302 -1.699 342 HE2 TYR 33 HE2 TYR 33 -5.080 6.035 -2.201 343 HH TYR 33 HH TYR 33 -8.350 5.048 -3.080 344 QB TYR 33 QB TYR 33 -3.890 1.860 0.242 345 QR TYR 33 QR TYR 33 -5.982 3.983 -1.218 346 H GLN 34 HN GLN 34 -2.065 3.617 2.227 347 HA GLN 34 HA GLN 34 -3.008 6.444 2.540 348 1HB GLN 34 2HB GLN 34 -0.756 5.066 4.064 349 2HB GLN 34 3HB GLN 34 -1.197 6.755 4.225 350 1HG GLN 34 2HG GLN 34 -2.245 5.691 6.072 351 2HG GLN 34 3HG GLN 34 -3.534 5.912 4.903 352 1HE2 GLN 34 2HE2 GLN 34 -4.253 2.449 5.047 353 2HE2 GLN 34 1HE2 GLN 34 -4.833 4.038 4.907 354 QB GLN 34 QB GLN 34 -0.976 5.911 4.145 355 QG GLN 34 QG GLN 34 -2.889 5.802 5.487 356 QE2 GLN 34 QE2 GLN 34 -4.543 3.244 4.977 357 OH TYR 35 OH TYR 35 2.053 10.185 -5.660 358 H TYR 35 HN TYR 35 -2.182 7.637 0.890 359 HA TYR 35 HA TYR 35 0.414 6.757 -0.322 360 1HB TYR 35 2HB TYR 35 -1.411 6.774 -1.908 361 2HB TYR 35 3HB TYR 35 -1.917 8.372 -1.395 362 HD1 TYR 35 HD2 TYR 35 1.720 7.973 -1.729 363 HD2 TYR 35 HD1 TYR 35 -1.865 8.867 -3.854 364 HE1 TYR 35 HE2 TYR 35 3.024 9.023 -3.506 365 HE2 TYR 35 HE1 TYR 35 -0.547 9.919 -5.624 366 HH TYR 35 HH TYR 35 2.170 11.097 -5.388 367 QB TYR 35 QB TYR 35 -1.664 7.573 -1.652 368 QR TYR 35 QR TYR 35 0.583 8.946 -3.678 369 H VAL 36 HN VAL 36 2.085 7.865 0.478 370 HA VAL 36 HA VAL 36 1.758 10.808 0.979 371 HB VAL 36 HB VAL 36 3.734 9.046 2.454 372 1HG1 VAL 36 1HG1 VAL 36 2.228 11.567 3.218 373 2HG1 VAL 36 2HG1 VAL 36 3.416 10.741 4.223 374 3HG1 VAL 36 3HG1 VAL 36 3.915 11.489 2.710 375 1HG2 VAL 36 1HG2 VAL 36 0.816 9.464 3.210 376 2HG2 VAL 36 2HG2 VAL 36 1.549 7.930 2.755 377 3HG2 VAL 36 3HG2 VAL 36 2.030 8.723 4.249 378 QG1 VAL 36 QG1 VAL 36 3.186 11.266 3.384 379 QG2 VAL 36 QG2 VAL 36 1.465 8.706 3.405 380 QQG VAL 36 QQG VAL 36 2.326 9.986 3.394 381 H ASP 37 HN ASP 37 3.750 12.079 0.601 382 HA ASP 37 HA ASP 37 5.610 10.760 -1.368 383 1HB ASP 37 2HB ASP 37 4.289 12.447 -2.519 384 2HB ASP 37 3HB ASP 37 4.584 13.614 -1.261 385 QB ASP 37 QB ASP 37 4.437 13.031 -1.890 386 H ILE 38 HN ILE 38 7.686 10.778 -0.838 387 HA ILE 38 HA ILE 38 8.580 11.186 1.753 388 HB ILE 38 HB ILE 38 10.864 11.068 0.847 389 1HG1 ILE 38 2HG1 ILE 38 9.436 11.618 -1.787 390 2HG1 ILE 38 3HG1 ILE 38 10.671 12.613 -1.029 391 1HG2 ILE 38 2HG2 ILE 38 9.380 9.022 0.912 392 2HG2 ILE 38 3HG2 ILE 38 8.927 9.334 -0.758 393 3HG2 ILE 38 1HG2 ILE 38 10.593 8.937 -0.351 394 1HD1 ILE 38 3HD1 ILE 38 12.313 10.758 -1.292 395 2HD1 ILE 38 1HD1 ILE 38 11.081 9.804 -2.119 396 3HD1 ILE 38 2HD1 ILE 38 11.668 11.296 -2.835 397 QG1 ILE 38 QG1 ILE 38 10.053 12.116 -1.408 398 QG2 ILE 38 QG2 ILE 38 9.633 9.098 -0.066 399 QD1 ILE 38 QD1 ILE 38 11.687 10.619 -2.082 400 NH1 ARG 39 NH2 ARG 39 7.071 19.052 0.971 401 NH2 ARG 39 NH1 ARG 39 6.240 19.782 -1.029 402 H ARG 39 HN ARG 39 8.620 13.682 -0.789 403 HA ARG 39 HA ARG 39 10.064 15.447 1.107 404 1HB ARG 39 2HB ARG 39 10.600 15.576 -1.327 405 2HB ARG 39 3HB ARG 39 8.957 16.105 -1.648 406 1HG ARG 39 2HG ARG 39 10.140 17.700 0.498 407 2HG ARG 39 3HG ARG 39 11.182 17.715 -0.913 408 1HD ARG 39 2HD ARG 39 9.441 19.556 -0.891 409 2HD ARG 39 3HD ARG 39 9.391 18.527 -2.325 410 HE ARG 39 HE ARG 39 7.461 17.319 -1.239 411 1HH1 ARG 39 2HH2 ARG 39 7.709 18.458 1.468 412 2HH1 ARG 39 1HH2 ARG 39 6.441 19.626 1.494 413 1HH2 ARG 39 2HH1 ARG 39 6.216 19.684 -2.025 414 2HH2 ARG 39 1HH1 ARG 39 5.637 20.440 -0.576 415 QB ARG 39 QB ARG 39 9.779 15.841 -1.488 416 QG ARG 39 QG ARG 39 10.661 17.708 -0.207 417 QD ARG 39 QD ARG 39 9.416 19.042 -1.608 418 QH1 ARG 39 QH2 ARG 39 7.075 19.042 1.481 419 QH2 ARG 39 QH1 ARG 39 5.927 20.062 -1.301 420 H ALA 40 HN ALA 40 6.910 15.181 -0.470 421 HA ALA 40 HA ALA 40 5.492 17.377 0.366 422 1HB ALA 40 3HB ALA 40 4.602 14.503 0.638 423 2HB ALA 40 1HB ALA 40 3.521 15.890 0.708 424 3HB ALA 40 2HB ALA 40 4.405 15.538 -0.775 425 QB ALA 40 QB ALA 40 4.176 15.310 0.190 426 H GLU 41 HN GLU 41 5.933 14.517 2.461 427 HA GLU 41 HA GLU 41 5.344 16.298 4.798 428 1HB GLU 41 2HB GLU 41 5.091 13.317 4.353 429 2HB GLU 41 3HB GLU 41 5.098 13.988 5.977 430 1HG GLU 41 2HG GLU 41 2.785 13.737 5.195 431 2HG GLU 41 3HG GLU 41 3.163 15.444 5.375 432 QB GLU 41 QB GLU 41 5.095 13.652 5.165 433 QG GLU 41 QG GLU 41 2.974 14.590 5.285 434 H GLY 42 HN GLY 42 7.820 16.503 3.659 435 1HA GLY 42 1HA GLY 42 10.145 16.151 3.963 436 2HA GLY 42 2HA GLY 42 9.686 16.862 5.499 437 QA GLY 42 QA GLY 42 9.916 16.507 4.731 438 H ILE 43 HN ILE 43 9.833 13.690 3.910 439 HA ILE 43 HA ILE 43 10.488 12.442 6.536 440 HB ILE 43 HB ILE 43 9.902 11.082 3.871 441 1HG1 ILE 43 2HG1 ILE 43 7.969 11.775 6.119 442 2HG1 ILE 43 3HG1 ILE 43 8.027 12.576 4.558 443 1HG2 ILE 43 1HG2 ILE 43 10.997 9.688 5.638 444 2HG2 ILE 43 2HG2 ILE 43 9.691 10.097 6.749 445 3HG2 ILE 43 3HG2 ILE 43 9.362 9.142 5.306 446 1HD1 ILE 43 2HD1 ILE 43 7.533 10.404 3.437 447 2HD1 ILE 43 3HD1 ILE 43 7.391 9.651 5.018 448 3HD1 ILE 43 1HD1 ILE 43 6.252 10.897 4.538 449 QG1 ILE 43 QG1 ILE 43 7.998 12.176 5.338 450 QG2 ILE 43 QG2 ILE 43 10.017 9.642 5.898 451 QD1 ILE 43 QD1 ILE 43 7.059 10.317 4.331 452 H THR 44 HN THR 44 12.556 11.489 6.809 453 HA THR 44 HA THR 44 14.485 12.134 4.629 454 HB THR 44 HB THR 44 16.207 12.040 6.458 455 HG1 THR 44 1HG THR 44 15.640 11.237 8.313 456 1HG2 THR 44 2HG2 THR 44 14.871 14.202 6.169 457 2HG2 THR 44 3HG2 THR 44 13.735 13.599 7.369 458 3HG2 THR 44 1HG2 THR 44 15.403 13.932 7.824 459 QG2 THR 44 QG2 THR 44 14.670 13.911 7.120 460 H LYS 45 HN LYS 45 16.423 10.577 4.539 461 HA LYS 45 HA LYS 45 15.307 7.981 3.984 462 1HB LYS 45 2HB LYS 45 18.156 8.992 3.955 463 2HB LYS 45 3HB LYS 45 17.759 7.336 3.545 464 1HG LYS 45 2HG LYS 45 16.752 9.852 2.159 465 2HG LYS 45 3HG LYS 45 17.891 8.696 1.501 466 1HD LYS 45 2HD LYS 45 14.959 8.117 2.133 467 2HD LYS 45 3HD LYS 45 15.631 8.399 0.548 468 1HE LYS 45 2HE LYS 45 15.434 6.045 0.736 469 2HE LYS 45 3HE LYS 45 17.148 6.397 0.908 470 1HZ LYS 45 3HZ LYS 45 16.030 6.448 3.475 471 2HZ LYS 45 1HZ LYS 45 15.438 5.061 2.703 472 3HZ LYS 45 2HZ LYS 45 17.111 5.311 2.826 473 QB LYS 45 QB LYS 45 17.957 8.164 3.750 474 QG LYS 45 QG LYS 45 17.322 9.274 1.830 475 QD LYS 45 QD LYS 45 15.295 8.258 1.340 476 QE LYS 45 QE LYS 45 16.291 6.221 0.822 477 QZ LYS 45 QZ LYS 45 16.193 5.607 3.002 478 H GLU 46 HN GLU 46 17.200 9.223 6.696 479 HA GLU 46 HA GLU 46 17.875 6.691 7.854 480 1HB GLU 46 2HB GLU 46 17.040 9.085 9.523 481 2HB GLU 46 3HB GLU 46 18.246 7.870 9.902 482 1HG GLU 46 2HG GLU 46 19.884 9.124 8.948 483 2HG GLU 46 3HG GLU 46 18.997 9.232 7.437 484 QB GLU 46 QB GLU 46 17.643 8.477 9.712 485 QG GLU 46 QG GLU 46 19.440 9.178 8.192 486 H ASP 47 HN ASP 47 15.135 8.880 8.444 487 HA ASP 47 HA ASP 47 13.556 7.344 10.175 488 1HB ASP 47 2HB ASP 47 12.985 9.627 9.541 489 2HB ASP 47 3HB ASP 47 12.715 9.138 7.874 490 QB ASP 47 QB ASP 47 12.850 9.383 8.707 491 H LEU 48 HN LEU 48 13.457 7.318 6.643 492 HA LEU 48 HA LEU 48 11.536 5.231 6.348 493 1HB LEU 48 2HB LEU 48 13.417 6.702 4.628 494 2HB LEU 48 3HB LEU 48 13.141 5.053 4.080 495 HG LEU 48 HG LEU 48 10.854 6.915 4.813 496 1HD1 LEU 48 1HD1 LEU 48 12.169 7.941 2.973 497 2HD1 LEU 48 2HD1 LEU 48 12.077 6.427 2.071 498 3HD1 LEU 48 3HD1 LEU 48 10.615 7.349 2.395 499 1HD2 LEU 48 3HD2 LEU 48 11.088 4.347 3.181 500 2HD2 LEU 48 1HD2 LEU 48 10.302 4.518 4.748 501 3HD2 LEU 48 2HD2 LEU 48 9.615 5.289 3.327 502 QB LEU 48 QB LEU 48 13.279 5.878 4.354 503 QD1 LEU 48 QD1 LEU 48 11.620 7.239 2.480 504 QD2 LEU 48 QD2 LEU 48 10.335 4.718 3.752 505 QQD LEU 48 QQD LEU 48 10.978 5.978 3.116 506 H GLN 49 HN GLN 49 15.095 5.062 6.186 507 HA GLN 49 HA GLN 49 15.345 2.275 5.772 508 1HB GLN 49 2HB GLN 49 17.254 3.903 5.818 509 2HB GLN 49 3HB GLN 49 17.059 4.051 7.560 510 1HG GLN 49 2HG GLN 49 17.516 1.611 7.800 511 2HG GLN 49 3HG GLN 49 17.744 1.495 6.057 512 1HE2 GLN 49 2HE2 GLN 49 20.760 2.796 8.350 513 2HE2 GLN 49 1HE2 GLN 49 19.340 2.113 8.984 514 QB GLN 49 QB GLN 49 17.157 3.977 6.689 515 QG GLN 49 QG GLN 49 17.630 1.553 6.928 516 QE2 GLN 49 QE2 GLN 49 20.050 2.455 8.667 517 H GLN 50 HN GLN 50 15.022 4.150 8.706 518 HA GLN 50 HA GLN 50 15.023 2.188 10.670 519 1HB GLN 50 2HB GLN 50 14.001 4.923 10.291 520 2HB GLN 50 3HB GLN 50 13.320 4.057 11.628 521 1HG GLN 50 2HG GLN 50 16.297 4.048 11.280 522 2HG GLN 50 3HG GLN 50 15.531 5.501 11.905 523 1HE2 GLN 50 2HE2 GLN 50 14.647 2.294 14.264 524 2HE2 GLN 50 1HE2 GLN 50 14.234 2.249 12.615 525 QB GLN 50 QB GLN 50 13.661 4.490 10.959 526 QG GLN 50 QG GLN 50 15.914 4.774 11.593 527 QE2 GLN 50 QE2 GLN 50 14.440 2.271 13.440 528 H LYS 51 HN LYS 51 12.596 2.984 8.348 529 HA LYS 51 HA LYS 51 10.518 1.444 9.814 530 1HB LYS 51 2HB LYS 51 10.537 3.536 7.744 531 2HB LYS 51 3HB LYS 51 9.382 2.259 7.412 532 1HG LYS 51 2HG LYS 51 8.311 2.552 9.565 533 2HG LYS 51 3HG LYS 51 9.571 3.646 10.110 534 1HD LYS 51 2HD LYS 51 7.761 4.221 7.733 535 2HD LYS 51 3HD LYS 51 7.410 4.778 9.365 536 1HE LYS 51 2HE LYS 51 9.907 5.458 7.758 537 2HE LYS 51 3HE LYS 51 8.559 6.536 8.058 538 1HZ LYS 51 2HZ LYS 51 9.337 5.641 10.540 539 2HZ LYS 51 3HZ LYS 51 10.787 5.963 9.700 540 3HZ LYS 51 1HZ LYS 51 9.622 7.189 9.860 541 QB LYS 51 QB LYS 51 9.960 2.897 7.578 542 QG LYS 51 QG LYS 51 8.941 3.099 9.838 543 QD LYS 51 QD LYS 51 7.585 4.499 8.549 544 QE LYS 51 QE LYS 51 9.233 5.997 7.908 545 QZ LYS 51 QZ LYS 51 9.915 6.264 10.033 546 H ALA 52 HN ALA 52 12.464 1.295 6.897 547 HA ALA 52 HA ALA 52 11.121 -1.032 5.812 548 1HB ALA 52 2HB ALA 52 12.409 0.543 4.414 549 2HB ALA 52 3HB ALA 52 13.892 0.054 5.219 550 3HB ALA 52 1HB ALA 52 13.009 -1.105 4.227 551 QB ALA 52 QB ALA 52 13.103 -0.169 4.620 552 H GLY 53 HN GLY 53 14.152 -0.614 7.621 553 1HA GLY 53 1HA GLY 53 14.760 -2.339 9.303 554 2HA GLY 53 2HA GLY 53 14.067 -3.558 8.232 555 QA GLY 53 QA GLY 53 14.414 -2.948 8.767 556 H LYS 54 HN LYS 54 15.001 -2.854 5.878 557 HA LYS 54 HA LYS 54 17.883 -3.531 6.039 558 1HB LYS 54 2HB LYS 54 16.170 -4.768 4.563 559 2HB LYS 54 3HB LYS 54 16.043 -3.302 3.612 560 1HG LYS 54 2HG LYS 54 18.402 -3.451 2.975 561 2HG LYS 54 3HG LYS 54 18.636 -4.819 4.052 562 1HD LYS 54 2HD LYS 54 18.094 -6.183 2.334 563 2HD LYS 54 3HD LYS 54 16.451 -5.580 2.444 564 1HE LYS 54 2HE LYS 54 18.673 -4.482 0.679 565 2HE LYS 54 3HE LYS 54 17.234 -5.335 0.145 566 1HZ LYS 54 1HZ LYS 54 16.504 -3.101 1.724 567 2HZ LYS 54 2HZ LYS 54 17.564 -2.618 0.491 568 3HZ LYS 54 3HZ LYS 54 16.140 -3.422 0.076 569 QB LYS 54 QB LYS 54 16.107 -4.035 4.088 570 QG LYS 54 QG LYS 54 18.519 -4.135 3.514 571 QD LYS 54 QD LYS 54 17.273 -5.882 2.389 572 QE LYS 54 QE LYS 54 17.954 -4.909 0.412 573 QZ LYS 54 QZ LYS 54 16.736 -3.047 0.764 574 HA PRO 55 HA PRO 55 18.850 0.611 4.014 575 1HB PRO 55 2HB PRO 55 20.311 -0.730 1.944 576 2HB PRO 55 3HB PRO 55 20.978 0.196 3.295 577 1HG PRO 55 2HG PRO 55 20.739 -2.758 2.987 578 2HG PRO 55 3HG PRO 55 21.851 -1.826 3.995 579 1HD PRO 55 2HD PRO 55 19.700 -3.226 5.024 580 2HD PRO 55 3HD PRO 55 20.374 -1.783 5.802 581 QB PRO 55 QB PRO 55 20.644 -0.267 2.619 582 QG PRO 55 QG PRO 55 21.295 -2.292 3.491 583 QD PRO 55 QD PRO 55 20.037 -2.505 5.413 584 H VAL 56 HN VAL 56 17.955 1.405 1.906 585 HA VAL 56 HA VAL 56 16.067 -0.570 0.731 586 HB VAL 56 HB VAL 56 14.679 1.524 0.254 587 1HG1 VAL 56 3HG1 VAL 56 15.188 0.637 3.121 588 2HG1 VAL 56 1HG1 VAL 56 13.743 1.468 2.568 589 3HG1 VAL 56 2HG1 VAL 56 14.100 -0.154 1.982 590 1HG2 VAL 56 3HG2 VAL 56 16.496 3.150 0.731 591 2HG2 VAL 56 1HG2 VAL 56 15.074 3.416 1.741 592 3HG2 VAL 56 2HG2 VAL 56 16.494 2.619 2.418 593 QG1 VAL 56 QG1 VAL 56 14.343 0.650 2.557 594 QG2 VAL 56 QG2 VAL 56 16.021 3.062 1.630 595 QQG VAL 56 QQG VAL 56 15.182 1.856 2.094 596 H GLU 57 HN GLU 57 15.748 -0.545 -1.485 597 HA GLU 57 HA GLU 57 18.007 0.534 -3.005 598 1HB GLU 57 2HB GLU 57 15.623 -1.187 -3.773 599 2HB GLU 57 3HB GLU 57 16.852 -0.680 -4.923 600 1HG GLU 57 2HG GLU 57 17.370 -2.928 -4.047 601 2HG GLU 57 3HG GLU 57 18.599 -1.779 -3.540 602 QB GLU 57 QB GLU 57 16.237 -0.934 -4.348 603 QG GLU 57 QG GLU 57 17.985 -2.353 -3.793 604 H THR 58 HN THR 58 14.505 0.615 -3.770 605 HA THR 58 HA THR 58 14.786 3.513 -4.355 606 HB THR 58 HB THR 58 13.696 1.523 -6.416 607 HG1 THR 58 1HG THR 58 16.210 2.341 -5.646 608 1HG2 THR 58 2HG2 THR 58 14.629 4.428 -6.653 609 2HG2 THR 58 3HG2 THR 58 14.069 3.421 -7.980 610 3HG2 THR 58 1HG2 THR 58 12.942 3.923 -6.733 611 QG2 THR 58 QG2 THR 58 13.880 3.924 -7.122 612 H VAL 59 HN VAL 59 12.595 4.383 -5.066 613 HA VAL 59 HA VAL 59 10.490 3.373 -3.220 614 HB VAL 59 HB VAL 59 9.524 5.717 -3.645 615 1HG1 VAL 59 3HG1 VAL 59 12.356 5.561 -2.562 616 2HG1 VAL 59 1HG1 VAL 59 11.222 6.870 -2.251 617 3HG1 VAL 59 2HG1 VAL 59 10.888 5.255 -1.640 618 1HG2 VAL 59 2HG2 VAL 59 10.647 6.106 -5.828 619 2HG2 VAL 59 3HG2 VAL 59 10.992 7.388 -4.675 620 3HG2 VAL 59 1HG2 VAL 59 12.200 6.157 -5.003 621 QG1 VAL 59 QG1 VAL 59 11.489 5.895 -2.151 622 QG2 VAL 59 QG2 VAL 59 11.280 6.550 -5.168 623 QQG VAL 59 QQG VAL 59 11.384 6.223 -3.660 624 HA PRO 60 HA PRO 60 8.244 4.385 -3.242 625 1HB PRO 60 2HB PRO 60 5.725 3.187 -3.634 626 2HB PRO 60 3HB PRO 60 6.154 4.829 -4.086 627 1HG PRO 60 2HG PRO 60 5.550 2.651 -5.851 628 2HG PRO 60 3HG PRO 60 6.069 4.275 -6.310 629 1HD PRO 60 2HD PRO 60 7.663 1.769 -6.157 630 2HD PRO 60 3HD PRO 60 7.996 3.255 -7.073 631 QB PRO 60 QB PRO 60 5.940 4.008 -3.860 632 QG PRO 60 QG PRO 60 5.810 3.463 -6.081 633 QD PRO 60 QD PRO 60 7.829 2.512 -6.615 634 H GLN 61 HN GLN 61 7.908 3.434 -1.232 635 HA GLN 61 HA GLN 61 8.160 0.442 -1.176 636 1HB GLN 61 2HB GLN 61 9.261 2.624 0.531 637 2HB GLN 61 3HB GLN 61 8.704 1.200 1.395 638 1HG GLN 61 2HG GLN 61 10.129 -0.222 -0.096 639 2HG GLN 61 3HG GLN 61 10.752 1.249 -0.850 640 1HE2 GLN 61 2HE2 GLN 61 12.212 0.094 2.734 641 2HE2 GLN 61 1HE2 GLN 61 10.996 -0.814 1.985 642 QB GLN 61 QB GLN 61 8.983 1.912 0.963 643 QG GLN 61 QG GLN 61 10.440 0.513 -0.473 644 QE2 GLN 61 QE2 GLN 61 11.604 -0.360 2.360 645 H ILE 62 HN ILE 62 6.811 -0.765 0.176 646 HA ILE 62 HA ILE 62 4.438 0.755 1.200 647 HB ILE 62 HB ILE 62 4.411 -2.041 0.014 648 1HG1 ILE 62 2HG1 ILE 62 3.873 0.726 -1.071 649 2HG1 ILE 62 3HG1 ILE 62 4.812 -0.569 -1.787 650 1HG2 ILE 62 1HG2 ILE 62 2.656 -1.638 1.753 651 2HG2 ILE 62 2HG2 ILE 62 2.142 -0.192 0.890 652 3HG2 ILE 62 3HG2 ILE 62 1.936 -1.779 0.154 653 1HD1 ILE 62 3HD1 ILE 62 2.719 -1.855 -2.170 654 2HD1 ILE 62 1HD1 ILE 62 1.785 -0.523 -1.506 655 3HD1 ILE 62 2HD1 ILE 62 2.701 -0.305 -2.990 656 QG1 ILE 62 QG1 ILE 62 4.342 0.078 -1.429 657 QG2 ILE 62 QG2 ILE 62 2.245 -1.203 0.933 658 QD1 ILE 62 QD1 ILE 62 2.402 -0.894 -2.222 659 H PHE 63 HN PHE 63 3.606 0.287 3.097 660 HA PHE 63 HA PHE 63 4.833 -1.910 4.733 661 1HB PHE 63 2HB PHE 63 4.115 0.866 5.756 662 2HB PHE 63 3HB PHE 63 4.876 -0.426 6.681 663 HD1 PHE 63 2HD PHE 63 5.368 1.714 3.662 664 HD2 PHE 63 1HD PHE 63 7.255 -0.647 6.671 665 HE1 PHE 63 2HE PHE 63 7.561 2.345 2.784 666 HE2 PHE 63 1HE PHE 63 9.451 0.042 5.812 667 HZ PHE 63 HZ PHE 63 9.611 1.510 3.854 668 QB PHE 63 QB PHE 63 4.495 0.220 6.219 669 QR PHE 63 QR PHE 63 7.409 0.863 4.732 670 H VAL 64 HN VAL 64 3.453 -2.741 6.370 671 HA VAL 64 HA VAL 64 0.531 -2.187 5.939 672 HB VAL 64 HB VAL 64 1.996 -4.835 6.388 673 1HG1 VAL 64 1HG1 VAL 64 -0.999 -4.334 6.197 674 2HG1 VAL 64 2HG1 VAL 64 -0.228 -5.915 6.251 675 3HG1 VAL 64 3HG1 VAL 64 -0.136 -4.847 7.646 676 1HG2 VAL 64 2HG2 VAL 64 2.048 -3.966 4.074 677 2HG2 VAL 64 3HG2 VAL 64 1.030 -5.400 4.174 678 3HG2 VAL 64 1HG2 VAL 64 0.296 -3.803 4.086 679 QG1 VAL 64 QG1 VAL 64 -0.454 -5.032 6.698 680 QG2 VAL 64 QG2 VAL 64 1.125 -4.390 4.111 681 QQG VAL 64 QQG VAL 64 0.335 -4.711 5.405 682 H ASP 65 HN ASP 65 0.140 -0.983 7.757 683 HA ASP 65 HA ASP 65 -0.151 -0.498 10.038 684 1HB ASP 65 2HB ASP 65 0.535 -3.435 10.458 685 2HB ASP 65 3HB ASP 65 -0.295 -2.393 11.590 686 QB ASP 65 QB ASP 65 0.120 -2.914 11.024 687 H GLN 66 HN GLN 66 2.164 -2.962 10.589 688 HA GLN 66 HA GLN 66 4.257 -0.964 11.290 689 1HB GLN 66 2HB GLN 66 3.552 -3.526 12.766 690 2HB GLN 66 3HB GLN 66 5.046 -2.638 13.041 691 1HG GLN 66 2HG GLN 66 3.491 -1.922 14.738 692 2HG GLN 66 3HG GLN 66 3.615 -0.604 13.579 693 1HE2 GLN 66 2HE2 GLN 66 0.168 -0.677 12.978 694 2HE2 GLN 66 1HE2 GLN 66 1.608 0.215 13.022 695 QB GLN 66 QB GLN 66 4.299 -3.082 12.904 696 QG GLN 66 QG GLN 66 3.553 -1.263 14.158 697 QE2 GLN 66 QE2 GLN 66 0.888 -0.231 13.000 698 H GLN 67 HN GLN 67 3.413 -3.727 9.510 699 HA GLN 67 HA GLN 67 6.090 -4.871 9.340 700 1HB GLN 67 2HB GLN 67 3.519 -5.338 7.794 701 2HB GLN 67 3HB GLN 67 4.977 -6.271 7.577 702 1HG GLN 67 2HG GLN 67 4.846 -6.948 9.996 703 2HG GLN 67 3HG GLN 67 3.294 -6.112 10.095 704 1HE2 GLN 67 2HE2 GLN 67 3.304 -9.806 8.632 705 2HE2 GLN 67 1HE2 GLN 67 4.510 -9.158 9.631 706 QB GLN 67 QB GLN 67 4.248 -5.805 7.686 707 QG GLN 67 QG GLN 67 4.070 -6.530 10.045 708 QE2 GLN 67 QE2 GLN 67 3.907 -9.482 9.131 709 H HIS 68 HN HIS 68 6.991 -5.238 7.177 710 HA HIS 68 HA HIS 68 6.699 -2.880 5.358 711 1HB HIS 68 2HB HIS 68 8.801 -2.713 6.621 712 2HB HIS 68 3HB HIS 68 9.198 -4.366 6.241 713 HD1 HIS 68 HD1 HIS 68 11.375 -3.519 5.148 714 HD2 HIS 68 HD2 HIS 68 8.028 -2.056 3.261 715 HE1 HIS 68 HE1 HIS 68 12.072 -2.891 2.802 716 QB HIS 68 QB HIS 68 8.999 -3.540 6.431 717 H ILE 69 HN ILE 69 6.442 -3.497 3.206 718 HA ILE 69 HA ILE 69 6.505 -6.440 2.684 719 HB ILE 69 HB ILE 69 5.121 -4.316 1.017 720 1HG1 ILE 69 2HG1 ILE 69 4.190 -4.215 3.303 721 2HG1 ILE 69 3HG1 ILE 69 3.032 -4.921 2.192 722 1HG2 ILE 69 3HG2 ILE 69 4.821 -7.331 1.268 723 2HG2 ILE 69 1HG2 ILE 69 3.790 -6.306 0.284 724 3HG2 ILE 69 2HG2 ILE 69 5.498 -6.458 -0.101 725 1HD1 ILE 69 3HD1 ILE 69 4.848 -6.512 4.051 726 2HD1 ILE 69 1HD1 ILE 69 3.138 -6.197 4.316 727 3HD1 ILE 69 2HD1 ILE 69 3.645 -7.189 2.960 728 QG1 ILE 69 QG1 ILE 69 3.611 -4.568 2.748 729 QG2 ILE 69 QG2 ILE 69 4.703 -6.698 0.484 730 QD1 ILE 69 QD1 ILE 69 3.877 -6.633 3.775 731 H GLY 70 HN GLY 70 7.634 -3.346 1.565 732 1HA GLY 70 1HA GLY 70 9.948 -3.392 0.557 733 2HA GLY 70 2HA GLY 70 9.404 -4.755 -0.409 734 QA GLY 70 QA GLY 70 9.676 -4.073 0.074 735 H GLY 71 HN GLY 71 8.812 -4.232 -2.436 736 1HA GLY 71 1HA GLY 71 7.943 -1.420 -2.985 737 2HA GLY 71 2HA GLY 71 8.814 -2.428 -4.138 738 QA GLY 71 QA GLY 71 8.378 -1.924 -3.561 739 OH TYR 72 OH TYR 72 -0.516 -3.461 -8.689 740 H TYR 72 HN TYR 72 6.811 -1.629 -5.381 741 HA TYR 72 HA TYR 72 4.226 -2.605 -4.830 742 1HB TYR 72 2HB TYR 72 4.688 -0.937 -6.610 743 2HB TYR 72 3HB TYR 72 5.408 -2.205 -7.603 744 HD1 TYR 72 HD2 TYR 72 2.315 -2.013 -5.469 745 HD2 TYR 72 HD1 TYR 72 3.914 -2.827 -9.330 746 HE1 TYR 72 HE2 TYR 72 0.086 -2.669 -6.269 747 HE2 TYR 72 HE1 TYR 72 1.687 -3.466 -10.111 748 HH TYR 72 HH TYR 72 -0.923 -4.041 -8.030 749 QB TYR 72 QB TYR 72 5.048 -1.571 -7.106 750 QR TYR 72 QR TYR 72 2.000 -2.744 -7.795 751 H THR 73 HN THR 73 6.650 -4.244 -6.942 752 HA THR 73 HA THR 73 5.171 -6.435 -7.788 753 HB THR 73 HB THR 73 7.478 -7.728 -7.393 754 HG1 THR 73 1HG THR 73 8.589 -6.528 -5.997 755 1HG2 THR 73 1HG2 THR 73 7.480 -5.065 -8.906 756 2HG2 THR 73 2HG2 THR 73 8.561 -6.423 -9.202 757 3HG2 THR 73 3HG2 THR 73 6.848 -6.566 -9.577 758 QG2 THR 73 QG2 THR 73 7.630 -6.018 -9.228 759 H ASP 74 HN ASP 74 7.029 -6.346 -4.827 760 HA ASP 74 HA ASP 74 6.133 -8.760 -3.667 761 1HB ASP 74 2HB ASP 74 6.697 -6.270 -2.033 762 2HB ASP 74 3HB ASP 74 7.091 -7.948 -1.651 763 QB ASP 74 QB ASP 74 6.894 -7.109 -1.842 764 H PHE 75 HN PHE 75 5.000 -5.456 -2.994 765 HA PHE 75 HA PHE 75 2.845 -6.036 -1.345 766 1HB PHE 75 2HB PHE 75 3.463 -3.740 -1.866 767 2HB PHE 75 3HB PHE 75 2.951 -3.953 -3.536 768 HD1 PHE 75 2HD PHE 75 1.601 -4.341 -0.062 769 HD2 PHE 75 1HD PHE 75 0.745 -3.358 -4.111 770 HE1 PHE 75 2HE PHE 75 -0.712 -3.824 0.560 771 HE2 PHE 75 1HE PHE 75 -1.573 -2.827 -3.493 772 HZ PHE 75 HZ PHE 75 -2.311 -3.079 -1.160 773 QB PHE 75 QB PHE 75 3.207 -3.846 -2.701 774 QR PHE 75 QR PHE 75 0.015 -3.588 -1.777 775 H ALA 76 HN ALA 76 2.682 -5.935 -4.895 776 HA ALA 76 HA ALA 76 -0.060 -6.599 -5.136 777 1HB ALA 76 1HB ALA 76 1.324 -5.941 -7.081 778 2HB ALA 76 2HB ALA 76 2.215 -7.454 -6.965 779 3HB ALA 76 3HB ALA 76 0.505 -7.469 -7.390 780 QB ALA 76 QB ALA 76 1.348 -6.955 -7.146 781 H ALA 77 HN ALA 77 2.751 -8.769 -5.232 782 HA ALA 77 HA ALA 77 1.315 -11.224 -5.243 783 1HB ALA 77 2HB ALA 77 3.991 -10.598 -3.926 784 2HB ALA 77 3HB ALA 77 3.388 -12.215 -4.288 785 3HB ALA 77 1HB ALA 77 3.760 -11.099 -5.597 786 QB ALA 77 QB ALA 77 3.713 -11.304 -4.604 787 CH2 TRP 78 CH2 TRP 78 -1.280 -6.665 3.304 788 H TRP 78 HN TRP 78 2.736 -9.557 -2.453 789 HA TRP 78 HA TRP 78 1.844 -11.141 -0.355 790 1HB TRP 78 2HB TRP 78 3.199 -9.169 0.041 791 2HB TRP 78 3HB TRP 78 1.918 -8.134 -0.519 792 HD1 TRP 78 HD1 TRP 78 2.736 -10.417 2.542 793 HE1 TRP 78 HE1 TRP 78 1.342 -9.684 4.486 794 HE3 TRP 78 HE3 TRP 78 0.024 -7.008 0.182 795 HZ2 TRP 78 HZ2 TRP 78 -0.660 -7.746 5.042 796 HZ3 TRP 78 HZ3 TRP 78 -1.701 -5.731 1.428 797 HH2 TRP 78 HH2 TRP 78 -2.015 -6.080 3.838 798 QB TRP 78 QB TRP 78 2.558 -8.651 -0.239 799 H VAL 79 HN VAL 79 0.061 -8.441 -1.806 800 HA VAL 79 HA VAL 79 -2.361 -8.793 -0.386 801 HB VAL 79 HB VAL 79 -1.863 -7.839 -3.240 802 1HG1 VAL 79 1HG1 VAL 79 -4.411 -7.729 -1.593 803 2HG1 VAL 79 2HG1 VAL 79 -4.167 -6.862 -3.102 804 3HG1 VAL 79 3HG1 VAL 79 -4.180 -8.617 -3.091 805 1HG2 VAL 79 1HG2 VAL 79 -2.449 -6.314 -0.684 806 2HG2 VAL 79 2HG2 VAL 79 -0.903 -6.373 -1.519 807 3HG2 VAL 79 3HG2 VAL 79 -2.278 -5.597 -2.282 808 QG1 VAL 79 QG1 VAL 79 -4.253 -7.736 -2.595 809 QG2 VAL 79 QG2 VAL 79 -1.877 -6.095 -1.495 810 QQG VAL 79 QQG VAL 79 -3.065 -6.916 -2.045 811 H LYS 80 HN LYS 80 -1.551 -9.944 -3.637 812 HA LYS 80 HA LYS 80 -3.851 -11.348 -4.224 813 1HB LYS 80 2HB LYS 80 -1.518 -11.009 -5.511 814 2HB LYS 80 3HB LYS 80 -1.309 -12.684 -5.030 815 1HG LYS 80 2HG LYS 80 -4.022 -12.246 -6.028 816 2HG LYS 80 3HG LYS 80 -2.852 -11.669 -7.194 817 1HD LYS 80 2HD LYS 80 -3.322 -13.981 -7.701 818 2HD LYS 80 3HD LYS 80 -1.681 -13.868 -7.089 819 1HE LYS 80 2HE LYS 80 -2.896 -15.798 -6.109 820 2HE LYS 80 3HE LYS 80 -2.414 -14.649 -4.881 821 1HZ LYS 80 1HZ LYS 80 -4.940 -13.861 -5.668 822 2HZ LYS 80 2HZ LYS 80 -4.995 -15.567 -5.524 823 3HZ LYS 80 3HZ LYS 80 -4.481 -14.626 -4.223 824 QB LYS 80 QB LYS 80 -1.414 -11.847 -5.270 825 QG LYS 80 QG LYS 80 -3.437 -11.957 -6.611 826 QD LYS 80 QD LYS 80 -2.501 -13.925 -7.395 827 QE LYS 80 QE LYS 80 -2.655 -15.223 -5.495 828 QZ LYS 80 QZ LYS 80 -4.805 -14.685 -5.138 829 H GLU 81 HN GLU 81 -0.995 -12.913 -2.673 830 HA GLU 81 HA GLU 81 -2.831 -15.202 -2.203 831 1HB GLU 81 2HB GLU 81 0.160 -14.914 -1.716 832 2HB GLU 81 3HB GLU 81 -0.742 -16.370 -1.342 833 1HG GLU 81 2HG GLU 81 0.109 -16.829 -3.492 834 2HG GLU 81 3HG GLU 81 -1.520 -16.284 -3.839 835 QB GLU 81 QB GLU 81 -0.291 -15.642 -1.529 836 QG GLU 81 QG GLU 81 -0.705 -16.557 -3.665 837 H ASN 82 HN ASN 82 -3.128 -12.723 -0.546 838 HA ASN 82 HA ASN 82 -3.100 -14.178 2.064 839 1HB ASN 82 2HB ASN 82 -1.879 -11.465 1.563 840 2HB ASN 82 3HB ASN 82 -2.519 -11.881 3.145 841 1HD2 ASN 82 2HD2 ASN 82 0.992 -13.454 1.938 842 2HD2 ASN 82 1HD2 ASN 82 0.088 -12.434 0.921 843 QB ASN 82 QB ASN 82 -2.199 -11.673 2.354 844 QD2 ASN 82 QD2 ASN 82 0.540 -12.944 1.430 845 H LEU 83 HN LEU 83 -4.272 -11.509 0.145 846 HA LEU 83 HA LEU 83 -6.661 -11.321 1.936 847 1HB LEU 83 2HB LEU 83 -5.852 -9.299 -0.160 848 2HB LEU 83 3HB LEU 83 -6.873 -9.057 1.253 849 HG LEU 83 HG LEU 83 -3.886 -9.680 1.346 850 1HD1 LEU 83 2HD1 LEU 83 -4.373 -7.420 0.482 851 2HD1 LEU 83 3HD1 LEU 83 -5.382 -7.101 1.889 852 3HD1 LEU 83 1HD1 LEU 83 -3.650 -7.351 2.085 853 1HD2 LEU 83 2HD2 LEU 83 -5.839 -8.905 3.553 854 2HD2 LEU 83 3HD2 LEU 83 -5.137 -10.501 3.340 855 3HD2 LEU 83 1HD2 LEU 83 -4.110 -9.139 3.754 856 QB LEU 83 QB LEU 83 -6.362 -9.178 0.547 857 QD1 LEU 83 QD1 LEU 83 -4.469 -7.291 1.485 858 QD2 LEU 83 QD2 LEU 83 -5.029 -9.515 3.549 859 QQD LEU 83 QQD LEU 83 -4.749 -8.403 2.517 860 H ASP 84 HN ASP 84 -5.595 -11.943 -1.300 861 HA ASP 84 HA ASP 84 -8.316 -11.894 -2.432 862 1HB ASP 84 2HB ASP 84 -5.646 -11.718 -3.447 863 2HB ASP 84 3HB ASP 84 -6.361 -13.135 -4.164 864 QB ASP 84 QB ASP 84 -6.004 -12.426 -3.806 865 H ALA 85 HN ALA 85 -5.756 -14.146 -2.651 866 HA ALA 85 HA ALA 85 -6.032 -16.462 -1.580 867 1HB ALA 85 3HB ALA 85 -8.423 -16.437 -3.477 868 2HB ALA 85 1HB ALA 85 -7.819 -17.857 -2.637 869 3HB ALA 85 2HB ALA 85 -8.518 -16.528 -1.720 870 QB ALA 85 QB ALA 85 -8.254 -16.941 -2.611 Start of MODEL 14 Raw file had 870 H/Q atoms Start of MODEL 14 1 H MET 1 HN MET 1 -6.783 -5.298 7.509 2 HA MET 1 HA MET 1 -5.401 -4.344 9.682 3 1HB MET 1 2HB MET 1 -3.002 -4.575 8.677 4 2HB MET 1 3HB MET 1 -3.651 -5.903 9.620 5 1HG MET 1 2HG MET 1 -2.530 -6.238 7.209 6 2HG MET 1 3HG MET 1 -3.766 -7.294 7.829 7 1HE MET 1 1HE MET 1 -2.949 -4.220 6.114 8 2HE MET 1 2HE MET 1 -3.042 -4.905 4.495 9 3HE MET 1 3HE MET 1 -4.295 -3.800 5.065 10 QB MET 1 QB MET 1 -3.327 -5.239 9.149 11 QG MET 1 QG MET 1 -3.148 -6.766 7.519 12 QE MET 1 QE MET 1 -3.429 -4.308 5.225 13 H GLN 2 HN GLN 2 -3.739 -2.628 8.885 14 HA GLN 2 HA GLN 2 -5.093 -1.117 6.766 15 1HB GLN 2 2HB GLN 2 -3.268 -0.497 9.082 16 2HB GLN 2 3HB GLN 2 -3.587 0.697 7.844 17 1HG GLN 2 2HG GLN 2 -5.105 0.488 10.052 18 2HG GLN 2 3HG GLN 2 -5.752 1.044 8.524 19 1HE2 GLN 2 2HE2 GLN 2 -6.934 -2.606 9.979 20 2HE2 GLN 2 1HE2 GLN 2 -5.594 -1.816 10.685 21 QB GLN 2 QB GLN 2 -3.427 0.100 8.463 22 QG GLN 2 QG GLN 2 -5.429 0.766 9.288 23 QE2 GLN 2 QE2 GLN 2 -6.264 -2.211 10.332 24 H THR 3 HN THR 3 -3.751 0.142 5.230 25 HA THR 3 HA THR 3 -1.092 -1.117 4.641 26 HB THR 3 HB THR 3 -3.164 -0.159 2.598 27 HG1 THR 3 1HG THR 3 -3.777 -2.166 2.694 28 1HG2 THR 3 2HG2 THR 3 -0.551 -1.709 2.244 29 2HG2 THR 3 3HG2 THR 3 -1.661 -1.243 0.958 30 3HG2 THR 3 1HG2 THR 3 -0.741 -0.012 1.817 31 QG2 THR 3 QG2 THR 3 -0.984 -0.988 1.673 32 H VAL 4 HN VAL 4 0.533 0.279 3.893 33 HA VAL 4 HA VAL 4 -0.124 3.197 3.805 34 HB VAL 4 HB VAL 4 2.427 2.193 5.065 35 1HG1 VAL 4 2HG1 VAL 4 0.849 4.779 5.308 36 2HG1 VAL 4 3HG1 VAL 4 2.354 4.434 6.151 37 3HG1 VAL 4 1HG1 VAL 4 2.340 4.548 4.396 38 1HG2 VAL 4 3HG2 VAL 4 -0.178 2.699 6.544 39 2HG2 VAL 4 1HG2 VAL 4 0.644 1.150 6.396 40 3HG2 VAL 4 2HG2 VAL 4 1.388 2.455 7.311 41 QG1 VAL 4 QG1 VAL 4 1.848 4.587 5.285 42 QG2 VAL 4 QG2 VAL 4 0.618 2.101 6.750 43 QQG VAL 4 QQG VAL 4 1.233 3.344 6.018 44 H ILE 5 HN ILE 5 0.777 4.156 2.045 45 HA ILE 5 HA ILE 5 2.947 2.674 0.605 46 HB ILE 5 HB ILE 5 0.732 4.476 -0.464 47 1HG1 ILE 5 2HG1 ILE 5 0.379 2.383 -1.955 48 2HG1 ILE 5 3HG1 ILE 5 1.365 1.533 -0.775 49 1HG2 ILE 5 3HG2 ILE 5 3.093 3.246 -1.947 50 2HG2 ILE 5 1HG2 ILE 5 1.741 4.080 -2.709 51 3HG2 ILE 5 2HG2 ILE 5 2.837 4.968 -1.659 52 1HD1 ILE 5 1HD1 ILE 5 -1.180 3.062 -0.119 53 2HD1 ILE 5 2HD1 ILE 5 -1.074 1.316 -0.293 54 3HD1 ILE 5 3HD1 ILE 5 -0.227 2.124 1.019 55 QG1 ILE 5 QG1 ILE 5 0.872 1.958 -1.365 56 QG2 ILE 5 QG2 ILE 5 2.557 4.098 -2.105 57 QD1 ILE 5 QD1 ILE 5 -0.827 2.168 0.202 58 H PHE 6 HN PHE 6 4.880 3.712 0.608 59 HA PHE 6 HA PHE 6 4.884 6.690 1.024 60 1HB PHE 6 2HB PHE 6 6.910 4.587 1.878 61 2HB PHE 6 3HB PHE 6 7.312 6.280 1.757 62 HD1 PHE 6 1HD PHE 6 5.732 7.949 3.066 63 HD2 PHE 6 2HD PHE 6 6.074 3.796 3.954 64 HE1 PHE 6 1HE PHE 6 5.122 8.391 5.404 65 HE2 PHE 6 2HE PHE 6 5.463 4.240 6.288 66 HZ PHE 6 HZ PHE 6 4.974 6.538 7.016 67 QB PHE 6 QB PHE 6 7.111 5.434 1.818 68 QR PHE 6 QR PHE 6 5.598 6.094 4.678 69 H GLY 7 HN GLY 7 5.277 7.587 -0.933 70 1HA GLY 7 1HA GLY 7 7.643 7.350 -2.384 71 2HA GLY 7 2HA GLY 7 6.635 6.041 -3.009 72 QA GLY 7 QA GLY 7 7.139 6.695 -2.696 73 NH1 ARG 8 NH1 ARG 8 6.781 13.471 -6.015 74 NH2 ARG 8 NH2 ARG 8 7.762 14.215 -7.951 75 H ARG 8 HN ARG 8 6.855 7.483 -5.054 76 HA ARG 8 HA ARG 8 4.626 9.474 -4.867 77 1HB ARG 8 2HB ARG 8 5.759 11.006 -6.316 78 2HB ARG 8 3HB ARG 8 6.815 10.635 -4.962 79 1HG ARG 8 2HG ARG 8 8.165 9.157 -6.323 80 2HG ARG 8 3HG ARG 8 7.013 9.232 -7.647 81 1HD ARG 8 2HD ARG 8 8.836 11.439 -6.639 82 2HD ARG 8 3HD ARG 8 8.738 10.762 -8.265 83 HE ARG 8 HE ARG 8 6.403 11.840 -8.388 84 1HH1 ARG 8 2HH1 ARG 8 6.324 12.721 -5.509 85 2HH1 ARG 8 1HH1 ARG 8 6.880 14.360 -5.567 86 1HH2 ARG 8 2HH2 ARG 8 8.099 14.012 -8.872 87 2HH2 ARG 8 1HH2 ARG 8 7.842 15.142 -7.587 88 QB ARG 8 QB ARG 8 6.287 10.820 -5.639 89 QG ARG 8 QG ARG 8 7.589 9.194 -6.985 90 QD ARG 8 QD ARG 8 8.787 11.101 -7.452 91 QH1 ARG 8 QH1 ARG 8 6.602 13.540 -5.538 92 QH2 ARG 8 QH2 ARG 8 7.970 14.577 -8.230 93 H SER 9 HN SER 9 3.887 10.166 -7.049 94 HA SER 9 HA SER 9 3.631 7.786 -8.832 95 1HB SER 9 2HB SER 9 1.286 9.184 -9.228 96 2HB SER 9 3HB SER 9 1.454 7.882 -8.037 97 HG SER 9 HG SER 9 1.738 9.321 -6.447 98 QB SER 9 QB SER 9 1.370 8.533 -8.632 99 H GLY 10 HN GLY 10 2.560 8.666 -10.992 100 1HA GLY 10 1HA GLY 10 2.620 10.705 -12.515 101 2HA GLY 10 2HA GLY 10 4.276 10.933 -11.945 102 QA GLY 10 QA GLY 10 3.448 10.819 -12.230 103 H CYS 11 HN CYS 11 5.241 8.445 -11.906 104 HA CYS 11 HA CYS 11 4.961 7.371 -14.678 105 1HB CYS 11 2HB CYS 11 7.015 8.765 -14.423 106 2HB CYS 11 3HB CYS 11 7.519 7.758 -13.093 107 HG CYS 11 HG CYS 11 8.457 6.114 -14.663 108 QB CYS 11 QB CYS 11 7.267 8.262 -13.758 109 HA PRO 12 HA PRO 12 2.619 5.420 -12.451 110 1HB PRO 12 2HB PRO 12 3.160 2.581 -12.461 111 2HB PRO 12 3HB PRO 12 1.925 3.464 -13.361 112 1HG PRO 12 2HG PRO 12 4.586 2.508 -14.292 113 2HG PRO 12 3HG PRO 12 3.153 2.912 -15.241 114 1HD PRO 12 2HD PRO 12 5.387 4.521 -15.185 115 2HD PRO 12 3HD PRO 12 3.749 5.174 -15.417 116 QB PRO 12 QB PRO 12 2.543 3.022 -12.911 117 QG PRO 12 QG PRO 12 3.870 2.710 -14.767 118 QD PRO 12 QD PRO 12 4.568 4.847 -15.301 119 OH TYR 13 OH TYR 13 11.499 5.599 -11.487 120 H TYR 13 HN TYR 13 5.424 3.380 -11.768 121 HA TYR 13 HA TYR 13 6.445 2.685 -9.811 122 1HB TYR 13 2HB TYR 13 5.780 5.579 -9.297 123 2HB TYR 13 3HB TYR 13 6.552 4.631 -8.041 124 HD1 TYR 13 HD1 TYR 13 8.378 2.871 -9.701 125 HD2 TYR 13 HD2 TYR 13 7.481 7.025 -10.018 126 HE1 TYR 13 HE1 TYR 13 10.567 3.275 -10.705 127 HE2 TYR 13 HE2 TYR 13 9.686 7.416 -11.008 128 HH TYR 13 HH TYR 13 11.550 5.084 -12.293 129 QB TYR 13 QB TYR 13 6.166 5.105 -8.669 130 QR TYR 13 QR TYR 13 9.028 5.147 -10.358 131 H CYS 14 HN CYS 14 3.876 4.683 -8.415 132 HA CYS 14 HA CYS 14 3.113 2.310 -6.758 133 1HB CYS 14 2HB CYS 14 2.552 5.191 -6.063 134 2HB CYS 14 3HB CYS 14 2.445 3.797 -5.022 135 HG CYS 14 HG CYS 14 5.027 5.326 -5.699 136 QB CYS 14 QB CYS 14 2.498 4.494 -5.542 137 H VAL 15 HN VAL 15 2.040 4.260 -9.280 138 HA VAL 15 HA VAL 15 -0.633 4.798 -8.886 139 HB VAL 15 HB VAL 15 0.753 3.575 -11.284 140 1HG1 VAL 15 2HG1 VAL 15 -2.123 4.555 -11.092 141 2HG1 VAL 15 3HG1 VAL 15 -1.294 4.151 -12.590 142 3HG1 VAL 15 1HG1 VAL 15 -1.622 2.897 -11.406 143 1HG2 VAL 15 2HG2 VAL 15 1.335 5.901 -10.620 144 2HG2 VAL 15 3HG2 VAL 15 0.494 5.875 -12.164 145 3HG2 VAL 15 1HG2 VAL 15 -0.365 6.344 -10.701 146 QG1 VAL 15 QG1 VAL 15 -1.680 3.868 -11.696 147 QG2 VAL 15 QG2 VAL 15 0.488 6.040 -11.162 148 QQG VAL 15 QQG VAL 15 -0.596 4.954 -11.429 149 NH1 ARG 16 NH1 ARG 16 -5.325 -0.847 -11.350 150 NH2 ARG 16 NH2 ARG 16 -5.602 -2.352 -9.683 151 H ARG 16 HN ARG 16 0.498 1.595 -10.026 152 HA ARG 16 HA ARG 16 -2.094 0.460 -9.810 153 1HB ARG 16 2HB ARG 16 0.425 -0.501 -10.633 154 2HB ARG 16 3HB ARG 16 -0.038 -1.548 -9.298 155 1HG ARG 16 2HG ARG 16 -1.802 -0.876 -11.696 156 2HG ARG 16 3HG ARG 16 -0.943 -2.395 -11.468 157 1HD ARG 16 2HD ARG 16 -2.281 -2.984 -9.574 158 2HD ARG 16 3HD ARG 16 -2.883 -1.348 -9.389 159 HE ARG 16 HE ARG 16 -3.691 -3.018 -11.736 160 1HH1 ARG 16 1HH1 ARG 16 -4.775 -0.495 -12.103 161 2HH1 ARG 16 2HH1 ARG 16 -6.200 -0.395 -11.116 162 1HH2 ARG 16 2HH2 ARG 16 -5.273 -3.147 -9.180 163 2HH2 ARG 16 1HH2 ARG 16 -6.463 -1.907 -9.415 164 QB ARG 16 QB ARG 16 0.193 -1.024 -9.966 165 QG ARG 16 QG ARG 16 -1.372 -1.635 -11.582 166 QD ARG 16 QD ARG 16 -2.582 -2.166 -9.482 167 QH1 ARG 16 QH1 ARG 16 -5.488 -0.445 -11.610 168 QH2 ARG 16 QH2 ARG 16 -5.868 -2.527 -9.298 169 H ALA 17 HN ALA 17 0.456 0.865 -7.402 170 HA ALA 17 HA ALA 17 -0.729 -0.846 -5.414 171 1HB ALA 17 2HB ALA 17 1.569 0.107 -5.182 172 2HB ALA 17 3HB ALA 17 0.872 1.708 -4.982 173 3HB ALA 17 1HB ALA 17 0.574 0.462 -3.773 174 QB ALA 17 QB ALA 17 1.005 0.759 -4.646 175 H LYS 18 HN LYS 18 -0.976 2.640 -5.992 176 HA LYS 18 HA LYS 18 -2.911 3.278 -4.041 177 1HB LYS 18 2HB LYS 18 -1.871 5.069 -5.251 178 2HB LYS 18 3HB LYS 18 -2.384 4.418 -6.797 179 1HG LYS 18 2HG LYS 18 -3.788 6.317 -6.293 180 2HG LYS 18 3HG LYS 18 -4.775 4.878 -6.151 181 1HD LYS 18 2HD LYS 18 -4.146 4.969 -3.609 182 2HD LYS 18 3HD LYS 18 -3.645 6.621 -3.947 183 1HE LYS 18 2HE LYS 18 -5.936 6.787 -3.281 184 2HE LYS 18 3HE LYS 18 -5.953 6.943 -5.033 185 1HZ LYS 18 3HZ LYS 18 -6.118 4.204 -4.398 186 2HZ LYS 18 1HZ LYS 18 -7.260 5.061 -3.449 187 3HZ LYS 18 2HZ LYS 18 -7.302 5.195 -5.133 188 QB LYS 18 QB LYS 18 -2.127 4.744 -6.024 189 QG LYS 18 QG LYS 18 -4.282 5.598 -6.222 190 QD LYS 18 QD LYS 18 -3.896 5.795 -3.778 191 QE LYS 18 QE LYS 18 -5.944 6.865 -4.157 192 QZ LYS 18 QZ LYS 18 -6.893 4.820 -4.327 193 H ASP 19 HN ASP 19 -3.534 2.353 -7.414 194 HA ASP 19 HA ASP 19 -6.409 2.309 -7.180 195 1HB ASP 19 2HB ASP 19 -5.229 2.470 -9.327 196 2HB ASP 19 3HB ASP 19 -4.536 0.879 -9.093 197 QB ASP 19 QB ASP 19 -4.882 1.674 -9.210 198 H LEU 20 HN LEU 20 -4.067 -0.335 -7.214 199 HA LEU 20 HA LEU 20 -5.764 -2.511 -6.737 200 1HB LEU 20 2HB LEU 20 -3.262 -2.560 -7.206 201 2HB LEU 20 3HB LEU 20 -2.982 -2.119 -5.535 202 HG LEU 20 HG LEU 20 -4.337 -4.183 -4.885 203 1HD1 LEU 20 1HD1 LEU 20 -3.928 -4.806 -7.836 204 2HD1 LEU 20 2HD1 LEU 20 -4.542 -5.930 -6.634 205 3HD1 LEU 20 3HD1 LEU 20 -5.480 -4.507 -7.059 206 1HD2 LEU 20 2HD2 LEU 20 -1.778 -4.526 -6.490 207 2HD2 LEU 20 3HD2 LEU 20 -1.880 -4.136 -4.773 208 3HD2 LEU 20 1HD2 LEU 20 -2.412 -5.712 -5.348 209 QB LEU 20 QB LEU 20 -3.122 -2.339 -6.370 210 QD1 LEU 20 QD1 LEU 20 -4.650 -5.081 -7.176 211 QD2 LEU 20 QD2 LEU 20 -2.023 -4.791 -5.537 212 QQD LEU 20 QQD LEU 20 -3.336 -4.936 -6.357 213 H ALA 21 HN ALA 21 -4.050 -0.502 -4.382 214 HA ALA 21 HA ALA 21 -5.185 -1.624 -2.039 215 1HB ALA 21 3HB ALA 21 -4.328 1.265 -2.497 216 2HB ALA 21 1HB ALA 21 -4.605 0.521 -0.926 217 3HB ALA 21 2HB ALA 21 -3.282 -0.034 -1.943 218 QB ALA 21 QB ALA 21 -4.072 0.584 -1.788 219 H GLU 22 HN GLU 22 -6.214 1.156 -3.985 220 HA GLU 22 HA GLU 22 -8.504 1.989 -2.629 221 1HB GLU 22 2HB GLU 22 -7.586 2.932 -4.781 222 2HB GLU 22 3HB GLU 22 -8.288 1.585 -5.640 223 1HG GLU 22 2HG GLU 22 -9.942 3.192 -5.892 224 2HG GLU 22 3HG GLU 22 -10.515 2.338 -4.467 225 QB GLU 22 QB GLU 22 -7.937 2.259 -5.211 226 QG GLU 22 QG GLU 22 -10.229 2.765 -5.180 227 H LYS 23 HN LYS 23 -8.508 -0.315 -5.263 228 HA LYS 23 HA LYS 23 -11.143 -1.226 -5.218 229 1HB LYS 23 2HB LYS 23 -8.922 -1.813 -6.657 230 2HB LYS 23 3HB LYS 23 -8.950 -3.249 -5.659 231 1HG LYS 23 2HG LYS 23 -11.399 -2.347 -7.204 232 2HG LYS 23 3HG LYS 23 -10.155 -3.334 -7.951 233 1HD LYS 23 2HD LYS 23 -11.435 -5.062 -7.178 234 2HD LYS 23 3HD LYS 23 -10.551 -4.779 -5.683 235 1HE LYS 23 2HE LYS 23 -12.529 -2.990 -5.306 236 2HE LYS 23 3HE LYS 23 -13.374 -4.073 -6.394 237 1HZ LYS 23 2HZ LYS 23 -12.112 -5.717 -4.546 238 2HZ LYS 23 3HZ LYS 23 -12.737 -4.413 -3.656 239 3HZ LYS 23 1HZ LYS 23 -13.770 -5.354 -4.633 240 QB LYS 23 QB LYS 23 -8.936 -2.531 -6.158 241 QG LYS 23 QG LYS 23 -10.777 -2.841 -7.577 242 QD LYS 23 QD LYS 23 -10.993 -4.921 -6.431 243 QE LYS 23 QE LYS 23 -12.951 -3.531 -5.850 244 QZ LYS 23 QZ LYS 23 -12.873 -5.161 -4.278 245 H LEU 24 HN LEU 24 -8.412 -2.624 -3.461 246 HA LEU 24 HA LEU 24 -9.905 -4.611 -2.022 247 1HB LEU 24 2HB LEU 24 -7.249 -3.247 -1.540 248 2HB LEU 24 3HB LEU 24 -7.825 -4.581 -0.549 249 HG LEU 24 HG LEU 24 -7.825 -4.862 -3.560 250 1HD1 LEU 24 2HD1 LEU 24 -5.436 -5.352 -1.752 251 2HD1 LEU 24 3HD1 LEU 24 -5.534 -5.789 -3.450 252 3HD1 LEU 24 1HD1 LEU 24 -5.539 -4.096 -2.968 253 1HD2 LEU 24 3HD2 LEU 24 -7.436 -6.802 -1.251 254 2HD2 LEU 24 1HD2 LEU 24 -8.936 -6.566 -2.144 255 3HD2 LEU 24 2HD2 LEU 24 -7.529 -7.241 -2.953 256 QB LEU 24 QB LEU 24 -7.537 -3.914 -1.045 257 QD1 LEU 24 QD1 LEU 24 -5.503 -5.079 -2.723 258 QD2 LEU 24 QD2 LEU 24 -7.967 -6.870 -2.116 259 QQD LEU 24 QQD LEU 24 -6.735 -5.974 -2.419 260 H SER 25 HN SER 25 -8.970 -1.289 -1.259 261 HA SER 25 HA SER 25 -9.839 -1.201 1.437 262 1HB SER 25 2HB SER 25 -8.623 0.590 -0.218 263 2HB SER 25 3HB SER 25 -10.264 1.249 -0.236 264 HG SER 25 HG SER 25 -9.258 0.383 2.235 265 QB SER 25 QB SER 25 -9.443 0.920 -0.227 266 H ASN 26 HN ASN 26 -11.512 -0.624 -1.568 267 HA ASN 26 HA ASN 26 -14.095 -0.230 -0.191 268 1HB ASN 26 2HB ASN 26 -13.417 1.020 -2.333 269 2HB ASN 26 3HB ASN 26 -13.564 -0.516 -3.174 270 1HD2 ASN 26 2HD2 ASN 26 -17.065 -0.249 -3.432 271 2HD2 ASN 26 1HD2 ASN 26 -15.645 -1.026 -3.938 272 QB ASN 26 QB ASN 26 -13.491 0.252 -2.754 273 QD2 ASN 26 QD2 ASN 26 -16.355 -0.638 -3.685 274 H GLU 27 HN GLU 27 -12.566 -2.731 0.005 275 HA GLU 27 HA GLU 27 -14.599 -4.638 -1.120 276 1HB GLU 27 2HB GLU 27 -12.124 -4.751 -1.957 277 2HB GLU 27 3HB GLU 27 -11.755 -5.392 -0.373 278 1HG GLU 27 2HG GLU 27 -13.256 -7.272 -0.697 279 2HG GLU 27 3HG GLU 27 -13.825 -6.615 -2.226 280 QB GLU 27 QB GLU 27 -11.939 -5.071 -1.165 281 QG GLU 27 QG GLU 27 -13.540 -6.944 -1.462 282 NH1 ARG 28 NH1 ARG 28 -10.541 -10.633 1.958 283 NH2 ARG 28 NH2 ARG 28 -10.372 -10.530 -0.301 284 H ARG 28 HN ARG 28 -12.153 -4.392 1.437 285 HA ARG 28 HA ARG 28 -14.145 -5.631 3.313 286 1HB ARG 28 2HB ARG 28 -11.105 -5.813 3.356 287 2HB ARG 28 3HB ARG 28 -12.173 -6.525 4.561 288 1HG ARG 28 2HG ARG 28 -12.625 -8.310 3.225 289 2HG ARG 28 3HG ARG 28 -13.023 -7.279 1.860 290 1HD ARG 28 2HD ARG 28 -10.489 -6.984 1.521 291 2HD ARG 28 3HD ARG 28 -10.284 -8.307 2.662 292 HE ARG 28 HE ARG 28 -11.762 -8.544 0.050 293 1HH1 ARG 28 2HH1 ARG 28 -10.854 -10.223 2.801 294 2HH1 ARG 28 1HH1 ARG 28 -10.087 -11.533 1.971 295 1HH2 ARG 28 2HH2 ARG 28 -10.516 -10.003 -1.144 296 2HH2 ARG 28 1HH2 ARG 28 -9.941 -11.449 -0.348 297 QB ARG 28 QB ARG 28 -11.639 -6.169 3.959 298 QG ARG 28 QG ARG 28 -12.824 -7.794 2.542 299 QD ARG 28 QD ARG 28 -10.387 -7.646 2.092 300 QH1 ARG 28 QH1 ARG 28 -10.470 -10.878 2.386 301 QH2 ARG 28 QH2 ARG 28 -10.229 -10.726 -0.746 302 H ASP 29 HN ASP 29 -14.136 -4.783 5.481 303 HA ASP 29 HA ASP 29 -13.754 -1.888 5.478 304 1HB ASP 29 2HB ASP 29 -14.659 -2.066 7.815 305 2HB ASP 29 3HB ASP 29 -15.704 -2.793 6.609 306 QB ASP 29 QB ASP 29 -15.182 -2.430 7.212 307 H ASP 30 HN ASP 30 -12.215 -4.674 6.925 308 HA ASP 30 HA ASP 30 -10.328 -3.011 8.441 309 1HB ASP 30 2HB ASP 30 -10.949 -5.063 9.484 310 2HB ASP 30 3HB ASP 30 -10.682 -5.985 8.015 311 QB ASP 30 QB ASP 30 -10.815 -5.524 8.749 312 H PHE 31 HN PHE 31 -10.308 -2.422 5.696 313 HA PHE 31 HA PHE 31 -7.436 -2.983 5.181 314 1HB PHE 31 2HB PHE 31 -8.792 -4.607 3.758 315 2HB PHE 31 3HB PHE 31 -9.452 -3.204 2.920 316 HD1 PHE 31 2HD PHE 31 -6.161 -4.695 3.955 317 HD2 PHE 31 1HD PHE 31 -8.196 -2.270 1.133 318 HE1 PHE 31 2HE PHE 31 -4.079 -4.435 2.669 319 HE2 PHE 31 1HE PHE 31 -6.140 -2.028 -0.163 320 HZ PHE 31 HZ PHE 31 -4.072 -3.112 0.600 321 QB PHE 31 QB PHE 31 -9.122 -3.906 3.339 322 QR PHE 31 QR PHE 31 -6.144 -3.357 1.898 323 H GLN 32 HN GLN 32 -7.580 -0.757 6.123 324 HA GLN 32 HA GLN 32 -8.448 1.282 4.114 325 1HB GLN 32 2HB GLN 32 -7.497 1.595 6.991 326 2HB GLN 32 3HB GLN 32 -8.109 2.897 5.975 327 1HG GLN 32 2HG GLN 32 -10.304 2.135 6.084 328 2HG GLN 32 3HG GLN 32 -9.828 0.454 6.267 329 1HE2 GLN 32 2HE2 GLN 32 -9.356 0.742 9.820 330 2HE2 GLN 32 1HE2 GLN 32 -8.733 -0.058 8.455 331 QB GLN 32 QB GLN 32 -7.803 2.246 6.483 332 QG GLN 32 QG GLN 32 -10.066 1.295 6.175 333 QE2 GLN 32 QE2 GLN 32 -9.045 0.342 9.137 334 OH TYR 33 OH TYR 33 -7.813 5.318 -1.823 335 H TYR 33 HN TYR 33 -6.934 2.561 3.042 336 HA TYR 33 HA TYR 33 -4.071 1.929 3.644 337 1HB TYR 33 2HB TYR 33 -3.580 2.145 1.291 338 2HB TYR 33 3HB TYR 33 -4.927 1.030 1.482 339 HD1 TYR 33 HD1 TYR 33 -7.243 1.779 0.941 340 HD2 TYR 33 HD2 TYR 33 -3.920 4.337 0.243 341 HE1 TYR 33 HE1 TYR 33 -8.629 3.172 -0.515 342 HE2 TYR 33 HE2 TYR 33 -5.312 5.744 -1.199 343 HH TYR 33 HH TYR 33 -8.713 4.945 -1.863 344 QB TYR 33 QB TYR 33 -4.253 1.587 1.386 345 QR TYR 33 QR TYR 33 -6.276 3.758 -0.133 346 H GLN 34 HN GLN 34 -2.519 3.522 3.352 347 HA GLN 34 HA GLN 34 -3.510 6.346 3.268 348 1HB GLN 34 2HB GLN 34 -1.684 4.924 5.114 349 2HB GLN 34 3HB GLN 34 -1.003 6.419 4.484 350 1HG GLN 34 2HG GLN 34 -2.246 6.849 6.568 351 2HG GLN 34 3HG GLN 34 -3.036 7.646 5.210 352 1HE2 GLN 34 2HE2 GLN 34 -6.048 5.976 5.968 353 2HE2 GLN 34 1HE2 GLN 34 -5.282 7.414 5.502 354 QB GLN 34 QB GLN 34 -1.344 5.672 4.799 355 QG GLN 34 QG GLN 34 -2.641 7.247 5.889 356 QE2 GLN 34 QE2 GLN 34 -5.665 6.695 5.735 357 OH TYR 35 OH TYR 35 2.249 8.370 -4.880 358 H TYR 35 HN TYR 35 -2.632 7.565 1.659 359 HA TYR 35 HA TYR 35 -0.205 6.464 0.282 360 1HB TYR 35 2HB TYR 35 -2.215 6.290 -1.173 361 2HB TYR 35 3HB TYR 35 -2.500 8.019 -0.977 362 HD1 TYR 35 HD2 TYR 35 -0.241 5.486 -2.462 363 HD2 TYR 35 HD1 TYR 35 -1.045 9.657 -2.072 364 HE1 TYR 35 HE2 TYR 35 1.499 5.982 -4.117 365 HE2 TYR 35 HE1 TYR 35 0.717 10.136 -3.710 366 HH TYR 35 HH TYR 35 3.044 8.481 -4.333 367 QB TYR 35 QB TYR 35 -2.357 7.154 -1.075 368 QR TYR 35 QR TYR 35 0.232 7.815 -3.090 369 H VAL 36 HN VAL 36 1.452 7.691 0.786 370 HA VAL 36 HA VAL 36 1.059 10.629 0.964 371 HB VAL 36 HB VAL 36 1.350 9.704 3.165 372 1HG1 VAL 36 2HG1 VAL 36 3.866 8.537 1.984 373 2HG1 VAL 36 3HG1 VAL 36 3.403 8.468 3.680 374 3HG1 VAL 36 1HG1 VAL 36 2.429 7.641 2.475 375 1HG2 VAL 36 3HG2 VAL 36 2.424 11.893 2.672 376 2HG2 VAL 36 1HG2 VAL 36 3.338 10.970 3.861 377 3HG2 VAL 36 2HG2 VAL 36 3.898 11.054 2.193 378 QG1 VAL 36 QG1 VAL 36 3.233 8.215 2.713 379 QG2 VAL 36 QG2 VAL 36 3.220 11.306 2.909 380 QQG VAL 36 QQG VAL 36 3.226 9.760 2.811 381 H ASP 37 HN ASP 37 2.666 11.916 0.066 382 HA ASP 37 HA ASP 37 4.479 10.445 -1.780 383 1HB ASP 37 2HB ASP 37 3.019 12.282 -2.737 384 2HB ASP 37 3HB ASP 37 3.901 13.430 -1.733 385 QB ASP 37 QB ASP 37 3.460 12.856 -2.235 386 H ILE 38 HN ILE 38 6.642 10.656 -1.598 387 HA ILE 38 HA ILE 38 7.818 11.005 0.900 388 HB ILE 38 HB ILE 38 9.971 11.274 -0.460 389 1HG1 ILE 38 2HG1 ILE 38 7.940 11.189 -2.739 390 2HG1 ILE 38 3HG1 ILE 38 9.016 12.521 -2.355 391 1HG2 ILE 38 2HG2 ILE 38 9.020 9.074 0.197 392 2HG2 ILE 38 3HG2 ILE 38 8.017 9.073 -1.247 393 3HG2 ILE 38 1HG2 ILE 38 9.766 8.976 -1.388 394 1HD1 ILE 38 3HD1 ILE 38 10.977 11.050 -2.830 395 2HD1 ILE 38 1HD1 ILE 38 9.870 9.749 -3.271 396 3HD1 ILE 38 2HD1 ILE 38 9.922 11.221 -4.231 397 QG1 ILE 38 QG1 ILE 38 8.478 11.855 -2.547 398 QG2 ILE 38 QG2 ILE 38 8.934 9.041 -0.813 399 QD1 ILE 38 QD1 ILE 38 10.256 10.673 -3.444 400 NH1 ARG 39 NH1 ARG 39 10.782 14.081 -0.182 401 NH2 ARG 39 NH2 ARG 39 12.586 14.459 -1.539 402 H ARG 39 HN ARG 39 7.052 13.533 -1.412 403 HA ARG 39 HA ARG 39 8.632 15.490 0.184 404 1HB ARG 39 2HB ARG 39 8.319 15.267 -2.471 405 2HB ARG 39 3HB ARG 39 6.930 16.280 -2.137 406 1HG ARG 39 2HG ARG 39 8.845 17.700 -2.668 407 2HG ARG 39 3HG ARG 39 8.405 17.917 -0.982 408 1HD ARG 39 2HD ARG 39 10.934 17.603 -1.607 409 2HD ARG 39 3HD ARG 39 10.302 16.768 -0.192 410 HE ARG 39 HE ARG 39 10.342 15.300 -2.802 411 1HH1 ARG 39 2HH1 ARG 39 9.823 14.270 0.032 412 2HH1 ARG 39 1HH1 ARG 39 11.299 13.433 0.396 413 1HH2 ARG 39 2HH2 ARG 39 12.980 14.942 -2.325 414 2HH2 ARG 39 1HH2 ARG 39 13.151 13.818 -1.017 415 QB ARG 39 QB ARG 39 7.624 15.774 -2.304 416 QG ARG 39 QG ARG 39 8.625 17.808 -1.825 417 QD ARG 39 QD ARG 39 10.618 17.186 -0.900 418 QH1 ARG 39 QH1 ARG 39 10.561 13.851 0.214 419 QH2 ARG 39 QH2 ARG 39 13.065 14.380 -1.671 420 H ALA 40 HN ALA 40 6.025 14.162 1.029 421 HA ALA 40 HA ALA 40 4.378 16.600 1.460 422 1HB ALA 40 2HB ALA 40 3.814 13.673 2.080 423 2HB ALA 40 3HB ALA 40 2.668 14.992 2.288 424 3HB ALA 40 1HB ALA 40 3.222 14.552 0.676 425 QB ALA 40 QB ALA 40 3.234 14.406 1.681 426 H GLU 41 HN GLU 41 5.768 13.898 3.335 427 HA GLU 41 HA GLU 41 5.444 15.510 5.826 428 1HB GLU 41 2HB GLU 41 6.465 12.659 5.499 429 2HB GLU 41 3HB GLU 41 6.008 13.432 7.010 430 1HG GLU 41 2HG GLU 41 3.671 13.631 6.229 431 2HG GLU 41 3HG GLU 41 4.110 12.936 4.675 432 QB GLU 41 QB GLU 41 6.237 13.045 6.254 433 QG GLU 41 QG GLU 41 3.891 13.284 5.452 434 H GLY 42 HN GLY 42 7.775 14.784 3.476 435 1HA GLY 42 1HA GLY 42 9.937 15.891 3.368 436 2HA GLY 42 2HA GLY 42 9.886 16.092 5.121 437 QA GLY 42 QA GLY 42 9.911 15.991 4.245 438 H ILE 43 HN ILE 43 9.681 13.401 2.806 439 HA ILE 43 HA ILE 43 11.276 11.745 4.687 440 HB ILE 43 HB ILE 43 9.454 11.112 2.345 441 1HG1 ILE 43 2HG1 ILE 43 9.203 10.265 5.240 442 2HG1 ILE 43 3HG1 ILE 43 8.583 11.814 4.689 443 1HG2 ILE 43 3HG2 ILE 43 11.003 9.175 4.106 444 2HG2 ILE 43 1HG2 ILE 43 9.807 8.722 2.901 445 3HG2 ILE 43 2HG2 ILE 43 11.320 9.462 2.402 446 1HD1 ILE 43 3HD1 ILE 43 7.806 9.119 3.527 447 2HD1 ILE 43 1HD1 ILE 43 6.830 10.054 4.645 448 3HD1 ILE 43 2HD1 ILE 43 7.154 10.676 3.029 449 QG1 ILE 43 QG1 ILE 43 8.893 11.040 4.965 450 QG2 ILE 43 QG2 ILE 43 10.710 9.120 3.137 451 QD1 ILE 43 QD1 ILE 43 7.263 9.950 3.734 452 H THR 44 HN THR 44 13.187 10.861 4.148 453 HA THR 44 HA THR 44 14.310 11.427 1.438 454 HB THR 44 HB THR 44 16.564 11.564 2.643 455 HG1 THR 44 1HG THR 44 16.526 10.950 4.680 456 1HG2 THR 44 3HG2 THR 44 14.451 13.398 3.879 457 2HG2 THR 44 1HG2 THR 44 16.181 13.719 3.800 458 3HG2 THR 44 2HG2 THR 44 15.220 13.701 2.325 459 QG2 THR 44 QG2 THR 44 15.284 13.606 3.335 460 H LYS 45 HN LYS 45 15.929 9.879 0.743 461 HA LYS 45 HA LYS 45 15.237 7.197 0.741 462 1HB LYS 45 2HB LYS 45 16.935 7.994 -0.756 463 2HB LYS 45 3HB LYS 45 17.926 8.609 0.554 464 1HG LYS 45 2HG LYS 45 18.629 6.412 1.198 465 2HG LYS 45 3HG LYS 45 17.388 5.644 0.209 466 1HD LYS 45 2HD LYS 45 18.792 5.626 -1.559 467 2HD LYS 45 3HD LYS 45 18.887 7.376 -1.517 468 1HE LYS 45 2HE LYS 45 20.675 5.404 -0.067 469 2HE LYS 45 3HE LYS 45 21.130 6.504 -1.357 470 1HZ LYS 45 1HZ LYS 45 19.982 7.958 0.816 471 2HZ LYS 45 2HZ LYS 45 21.227 6.963 1.373 472 3HZ LYS 45 3HZ LYS 45 21.538 8.076 0.131 473 QB LYS 45 QB LYS 45 17.431 8.301 -0.101 474 QG LYS 45 QG LYS 45 18.009 6.028 0.704 475 QD LYS 45 QD LYS 45 18.839 6.501 -1.538 476 QE LYS 45 QE LYS 45 20.903 5.954 -0.712 477 QZ LYS 45 QZ LYS 45 20.916 7.666 0.773 478 H GLU 46 HN GLU 46 17.768 8.558 2.846 479 HA GLU 46 HA GLU 46 18.306 6.414 4.483 480 1HB GLU 46 2HB GLU 46 18.074 9.365 5.042 481 2HB GLU 46 3HB GLU 46 18.501 8.265 6.339 482 1HG GLU 46 2HG GLU 46 20.431 9.345 4.924 483 2HG GLU 46 3HG GLU 46 20.533 7.636 5.314 484 QB GLU 46 QB GLU 46 18.288 8.815 5.691 485 QG GLU 46 QG GLU 46 20.482 8.491 5.119 486 H ASP 47 HN ASP 47 15.522 8.669 5.016 487 HA ASP 47 HA ASP 47 14.563 7.262 7.328 488 1HB ASP 47 2HB ASP 47 13.584 9.426 6.860 489 2HB ASP 47 3HB ASP 47 13.050 8.902 5.264 490 QB ASP 47 QB ASP 47 13.317 9.164 6.062 491 H LEU 48 HN LEU 48 13.673 7.041 3.936 492 HA LEU 48 HA LEU 48 11.763 4.961 4.134 493 1HB LEU 48 2HB LEU 48 13.672 5.878 1.995 494 2HB LEU 48 3HB LEU 48 12.748 4.422 1.710 495 HG LEU 48 HG LEU 48 11.500 7.057 2.583 496 1HD1 LEU 48 2HD1 LEU 48 11.711 5.853 -0.193 497 2HD1 LEU 48 3HD1 LEU 48 10.790 7.297 0.222 498 3HD1 LEU 48 1HD1 LEU 48 12.548 7.301 0.359 499 1HD2 LEU 48 2HD2 LEU 48 10.301 4.522 1.400 500 2HD2 LEU 48 3HD2 LEU 48 10.144 5.031 3.074 501 3HD2 LEU 48 1HD2 LEU 48 9.405 5.981 1.797 502 QB LEU 48 QB LEU 48 13.210 5.150 1.852 503 QD1 LEU 48 QD1 LEU 48 11.683 6.817 0.130 504 QD2 LEU 48 QD2 LEU 48 9.950 5.178 2.090 505 QQD LEU 48 QQD LEU 48 10.817 5.997 1.110 506 H GLN 49 HN GLN 49 15.236 4.794 3.829 507 HA GLN 49 HA GLN 49 15.560 1.990 3.771 508 1HB GLN 49 2HB GLN 49 17.354 3.683 3.401 509 2HB GLN 49 3HB GLN 49 17.319 4.082 5.106 510 1HG GLN 49 2HG GLN 49 17.822 1.246 4.202 511 2HG GLN 49 3HG GLN 49 19.133 2.416 4.299 512 1HE2 GLN 49 2HE2 GLN 49 18.270 0.567 7.607 513 2HE2 GLN 49 1HE2 GLN 49 18.205 -0.027 6.019 514 QB GLN 49 QB GLN 49 17.337 3.882 4.253 515 QG GLN 49 QG GLN 49 18.477 1.831 4.251 516 QE2 GLN 49 QE2 GLN 49 18.237 0.270 6.813 517 H GLN 50 HN GLN 50 15.443 4.244 6.504 518 HA GLN 50 HA GLN 50 15.575 2.361 8.629 519 1HB GLN 50 2HB GLN 50 15.708 4.887 8.828 520 2HB GLN 50 3HB GLN 50 13.974 4.950 8.573 521 1HG GLN 50 2HG GLN 50 13.763 3.344 10.574 522 2HG GLN 50 3HG GLN 50 15.454 3.697 10.898 523 1HE2 GLN 50 2HE2 GLN 50 13.159 7.087 11.054 524 2HE2 GLN 50 1HE2 GLN 50 13.181 6.173 9.626 525 QB GLN 50 QB GLN 50 14.841 4.919 8.701 526 QG GLN 50 QG GLN 50 14.609 3.520 10.736 527 QE2 GLN 50 QE2 GLN 50 13.170 6.630 10.340 528 H LYS 51 HN LYS 51 12.786 3.793 7.098 529 HA LYS 51 HA LYS 51 10.673 2.588 8.487 530 1HB LYS 51 2HB LYS 51 10.896 4.391 6.491 531 2HB LYS 51 3HB LYS 51 10.429 3.011 5.526 532 1HG LYS 51 2HG LYS 51 8.324 3.809 6.032 533 2HG LYS 51 3HG LYS 51 8.553 2.747 7.415 534 1HD LYS 51 2HD LYS 51 7.788 4.872 8.272 535 2HD LYS 51 3HD LYS 51 9.500 4.753 8.669 536 1HE LYS 51 2HE LYS 51 9.979 6.048 6.530 537 2HE LYS 51 3HE LYS 51 8.253 6.297 6.361 538 1HZ LYS 51 3HZ LYS 51 8.982 7.031 8.960 539 2HZ LYS 51 1HZ LYS 51 10.114 7.723 7.885 540 3HZ LYS 51 2HZ LYS 51 8.450 8.043 7.684 541 QB LYS 51 QB LYS 51 10.662 3.701 6.009 542 QG LYS 51 QG LYS 51 8.438 3.278 6.724 543 QD LYS 51 QD LYS 51 8.644 4.813 8.470 544 QE LYS 51 QE LYS 51 9.116 6.172 6.445 545 QZ LYS 51 QZ LYS 51 9.182 7.599 8.176 546 H ALA 52 HN ALA 52 12.189 1.584 5.491 547 HA ALA 52 HA ALA 52 10.679 -0.856 5.189 548 1HB ALA 52 3HB ALA 52 13.226 0.152 3.887 549 2HB ALA 52 1HB ALA 52 12.291 -1.219 3.318 550 3HB ALA 52 2HB ALA 52 11.589 0.386 3.291 551 QB ALA 52 QB ALA 52 12.369 -0.227 3.498 552 H GLY 53 HN GLY 53 14.045 -0.215 6.175 553 1HA GLY 53 1HA GLY 53 15.304 -1.558 7.710 554 2HA GLY 53 2HA GLY 53 14.042 -2.785 7.632 555 QA GLY 53 QA GLY 53 14.673 -2.171 7.671 556 H LYS 54 HN LYS 54 15.789 -1.187 5.035 557 HA LYS 54 HA LYS 54 16.992 -3.813 4.255 558 1HB LYS 54 2HB LYS 54 15.672 -1.771 2.419 559 2HB LYS 54 3HB LYS 54 16.579 -3.154 1.842 560 1HG LYS 54 2HG LYS 54 14.119 -3.319 3.619 561 2HG LYS 54 3HG LYS 54 14.117 -3.576 1.879 562 1HD LYS 54 2HD LYS 54 15.616 -5.509 2.120 563 2HD LYS 54 3HD LYS 54 15.756 -5.223 3.852 564 1HE LYS 54 2HE LYS 54 13.353 -5.612 4.147 565 2HE LYS 54 3HE LYS 54 13.160 -5.847 2.414 566 1HZ LYS 54 2HZ LYS 54 15.191 -7.564 3.298 567 2HZ LYS 54 3HZ LYS 54 13.872 -7.745 4.355 568 3HZ LYS 54 1HZ LYS 54 13.659 -7.968 2.682 569 QB LYS 54 QB LYS 54 16.126 -2.462 2.131 570 QG LYS 54 QG LYS 54 14.118 -3.448 2.749 571 QD LYS 54 QD LYS 54 15.686 -5.366 2.986 572 QE LYS 54 QE LYS 54 13.256 -5.730 3.280 573 QZ LYS 54 QZ LYS 54 14.241 -7.759 3.445 574 HA PRO 55 HA PRO 55 20.491 -1.099 2.824 575 1HB PRO 55 2HB PRO 55 19.781 -2.197 0.137 576 2HB PRO 55 3HB PRO 55 21.371 -1.991 0.867 577 1HG PRO 55 2HG PRO 55 20.202 -4.438 0.721 578 2HG PRO 55 3HG PRO 55 21.188 -3.984 2.119 579 1HD PRO 55 2HD PRO 55 18.212 -4.190 1.896 580 2HD PRO 55 3HD PRO 55 19.250 -4.451 3.312 581 QB PRO 55 QB PRO 55 20.576 -2.094 0.502 582 QG PRO 55 QG PRO 55 20.695 -4.211 1.420 583 QD PRO 55 QD PRO 55 18.731 -4.320 2.604 584 H VAL 56 HN VAL 56 20.272 0.106 0.256 585 HA VAL 56 HA VAL 56 17.904 1.842 0.713 586 HB VAL 56 HB VAL 56 19.437 3.552 -0.499 587 1HG1 VAL 56 3HG1 VAL 56 20.097 2.542 2.296 588 2HG1 VAL 56 1HG1 VAL 56 20.479 4.147 1.684 589 3HG1 VAL 56 2HG1 VAL 56 18.805 3.669 1.905 590 1HG2 VAL 56 1HG2 VAL 56 21.136 1.879 -1.179 591 2HG2 VAL 56 2HG2 VAL 56 21.837 3.130 -0.160 592 3HG2 VAL 56 3HG2 VAL 56 21.476 1.550 0.519 593 QG1 VAL 56 QG1 VAL 56 19.794 3.453 1.962 594 QG2 VAL 56 QG2 VAL 56 21.483 2.187 -0.273 595 QQG VAL 56 QQG VAL 56 20.638 2.820 0.844 596 H GLU 57 HN GLU 57 16.930 0.096 -0.682 597 HA GLU 57 HA GLU 57 17.494 0.086 -3.515 598 1HB GLU 57 2HB GLU 57 15.188 -0.910 -1.822 599 2HB GLU 57 3HB GLU 57 15.190 -1.089 -3.569 600 1HG GLU 57 2HG GLU 57 16.097 -3.092 -2.285 601 2HG GLU 57 3HG GLU 57 17.186 -2.454 -3.508 602 QB GLU 57 QB GLU 57 15.189 -0.999 -2.695 603 QG GLU 57 QG GLU 57 16.642 -2.773 -2.897 604 H THR 58 HN THR 58 17.349 2.672 -3.125 605 HA THR 58 HA THR 58 16.268 4.695 -3.575 606 HB THR 58 HB THR 58 15.404 4.718 -5.926 607 HG1 THR 58 1HG THR 58 14.944 2.123 -5.182 608 1HG2 THR 58 1HG2 THR 58 17.911 4.487 -5.548 609 2HG2 THR 58 2HG2 THR 58 17.706 2.739 -5.575 610 3HG2 THR 58 3HG2 THR 58 17.362 3.688 -7.016 611 QG2 THR 58 QG2 THR 58 17.659 3.638 -6.046 612 H VAL 59 HN VAL 59 13.667 3.664 -5.394 613 HA VAL 59 HA VAL 59 11.684 3.856 -3.203 614 HB VAL 59 HB VAL 59 10.427 5.618 -4.628 615 1HG1 VAL 59 2HG1 VAL 59 13.083 6.420 -3.387 616 2HG1 VAL 59 3HG1 VAL 59 11.737 7.506 -3.707 617 3HG1 VAL 59 1HG1 VAL 59 11.570 6.223 -2.516 618 1HG2 VAL 59 2HG2 VAL 59 13.197 5.883 -5.850 619 2HG2 VAL 59 3HG2 VAL 59 11.757 5.316 -6.688 620 3HG2 VAL 59 1HG2 VAL 59 11.852 6.979 -6.124 621 QG1 VAL 59 QG1 VAL 59 12.130 6.716 -3.203 622 QG2 VAL 59 QG2 VAL 59 12.269 6.059 -6.220 623 QQG VAL 59 QQG VAL 59 12.199 6.388 -4.712 624 HA PRO 60 HA PRO 60 9.644 4.148 -3.135 625 1HB PRO 60 2HB PRO 60 6.981 3.728 -3.476 626 2HB PRO 60 3HB PRO 60 7.848 4.999 -4.354 627 1HG PRO 60 2HG PRO 60 6.834 2.371 -5.363 628 2HG PRO 60 3HG PRO 60 7.086 3.878 -6.244 629 1HD PRO 60 2HD PRO 60 8.845 1.602 -6.155 630 2HD PRO 60 3HD PRO 60 9.163 3.164 -6.943 631 QB PRO 60 QB PRO 60 7.415 4.363 -3.915 632 QG PRO 60 QG PRO 60 6.960 3.125 -5.803 633 QD PRO 60 QD PRO 60 9.004 2.383 -6.549 634 H GLN 61 HN GLN 61 8.099 3.231 -1.320 635 HA GLN 61 HA GLN 61 8.385 0.254 -1.237 636 1HB GLN 61 2HB GLN 61 8.928 2.102 1.117 637 2HB GLN 61 3HB GLN 61 9.137 0.355 1.082 638 1HG GLN 61 2HG GLN 61 10.976 0.544 -0.518 639 2HG GLN 61 3HG GLN 61 10.684 2.273 -0.710 640 1HE2 GLN 61 2HE2 GLN 61 13.416 1.617 1.892 641 2HE2 GLN 61 1HE2 GLN 61 13.198 0.999 0.320 642 QB GLN 61 QB GLN 61 9.032 1.229 1.100 643 QG GLN 61 QG GLN 61 10.830 1.409 -0.614 644 QE2 GLN 61 QE2 GLN 61 13.307 1.308 1.106 645 H ILE 62 HN ILE 62 6.836 -0.824 0.002 646 HA ILE 62 HA ILE 62 4.481 0.810 0.860 647 HB ILE 62 HB ILE 62 4.503 -1.854 -0.602 648 1HG1 ILE 62 2HG1 ILE 62 3.466 0.929 -1.274 649 2HG1 ILE 62 3HG1 ILE 62 4.848 0.134 -2.008 650 1HG2 ILE 62 1HG2 ILE 62 2.150 -0.300 0.575 651 2HG2 ILE 62 2HG2 ILE 62 2.015 -1.748 -0.418 652 3HG2 ILE 62 3HG2 ILE 62 2.750 -1.842 1.175 653 1HD1 ILE 62 1HD1 ILE 62 3.336 -1.641 -2.875 654 2HD1 ILE 62 2HD1 ILE 62 1.959 -0.790 -2.181 655 3HD1 ILE 62 3HD1 ILE 62 2.894 -0.049 -3.472 656 QG1 ILE 62 QG1 ILE 62 4.157 0.532 -1.641 657 QG2 ILE 62 QG2 ILE 62 2.305 -1.297 0.444 658 QD1 ILE 62 QD1 ILE 62 2.729 -0.827 -2.843 659 H PHE 63 HN PHE 63 3.355 0.076 2.625 660 HA PHE 63 HA PHE 63 4.660 -2.040 4.270 661 1HB PHE 63 2HB PHE 63 3.724 0.666 5.300 662 2HB PHE 63 3HB PHE 63 4.505 -0.595 6.248 663 HD1 PHE 63 2HD PHE 63 5.037 1.559 3.232 664 HD2 PHE 63 1HD PHE 63 6.881 -0.560 6.432 665 HE1 PHE 63 2HE PHE 63 7.236 2.289 2.444 666 HE2 PHE 63 1HE PHE 63 9.063 0.259 5.696 667 HZ PHE 63 HZ PHE 63 9.258 1.681 3.701 668 QB PHE 63 QB PHE 63 4.114 0.036 5.774 669 QR PHE 63 QR PHE 63 7.054 0.887 4.451 670 H VAL 64 HN VAL 64 3.274 -2.710 6.045 671 HA VAL 64 HA VAL 64 0.358 -2.451 5.496 672 HB VAL 64 HB VAL 64 2.007 -4.984 5.811 673 1HG1 VAL 64 1HG1 VAL 64 -1.013 -4.677 5.840 674 2HG1 VAL 64 2HG1 VAL 64 -0.148 -6.205 5.776 675 3HG1 VAL 64 3HG1 VAL 64 -0.018 -5.189 7.202 676 1HG2 VAL 64 1HG2 VAL 64 1.828 -4.011 3.527 677 2HG2 VAL 64 2HG2 VAL 64 0.962 -5.538 3.633 678 3HG2 VAL 64 3HG2 VAL 64 0.074 -4.019 3.662 679 QG1 VAL 64 QG1 VAL 64 -0.393 -5.357 6.273 680 QG2 VAL 64 QG2 VAL 64 0.955 -4.523 3.607 681 QQG VAL 64 QQG VAL 64 0.281 -4.940 4.940 682 H ASP 65 HN ASP 65 -0.453 -1.608 7.311 683 HA ASP 65 HA ASP 65 -0.813 -1.138 9.565 684 1HB ASP 65 2HB ASP 65 -1.239 -3.770 9.120 685 2HB ASP 65 3HB ASP 65 -0.021 -3.894 10.370 686 QB ASP 65 QB ASP 65 -0.630 -3.832 9.745 687 H GLN 66 HN GLN 66 1.608 -3.507 10.270 688 HA GLN 66 HA GLN 66 3.495 -1.420 11.183 689 1HB GLN 66 2HB GLN 66 2.516 -3.728 12.909 690 2HB GLN 66 3HB GLN 66 3.743 -2.556 13.375 691 1HG GLN 66 2HG GLN 66 2.158 -0.743 13.361 692 2HG GLN 66 3HG GLN 66 0.937 -1.714 12.551 693 1HE2 GLN 66 2HE2 GLN 66 -0.399 -2.888 15.540 694 2HE2 GLN 66 1HE2 GLN 66 -0.585 -2.635 13.866 695 QB GLN 66 QB GLN 66 3.130 -3.142 13.142 696 QG GLN 66 QG GLN 66 1.547 -1.229 12.956 697 QE2 GLN 66 QE2 GLN 66 -0.492 -2.761 14.703 698 H GLN 67 HN GLN 67 3.285 -3.549 9.064 699 HA GLN 67 HA GLN 67 5.855 -4.955 9.521 700 1HB GLN 67 2HB GLN 67 4.045 -6.561 9.482 701 2HB GLN 67 3HB GLN 67 3.228 -5.719 8.174 702 1HG GLN 67 2HG GLN 67 5.073 -6.329 6.647 703 2HG GLN 67 3HG GLN 67 5.864 -7.178 7.968 704 1HE2 GLN 67 2HE2 GLN 67 3.465 -9.886 7.922 705 2HE2 GLN 67 1HE2 GLN 67 4.513 -9.040 8.951 706 QB GLN 67 QB GLN 67 3.637 -6.140 8.828 707 QG GLN 67 QG GLN 67 5.469 -6.754 7.308 708 QE2 GLN 67 QE2 GLN 67 3.989 -9.463 8.436 709 H HIS 68 HN HIS 68 7.190 -5.099 7.551 710 HA HIS 68 HA HIS 68 6.499 -2.982 5.539 711 1HB HIS 68 2HB HIS 68 8.586 -2.470 6.622 712 2HB HIS 68 3HB HIS 68 9.141 -4.117 6.471 713 HD1 HIS 68 HD1 HIS 68 11.109 -3.685 5.069 714 HD2 HIS 68 HD2 HIS 68 7.794 -1.948 3.381 715 HE1 HIS 68 HE1 HIS 68 11.716 -3.170 2.673 716 QB HIS 68 QB HIS 68 8.863 -3.293 6.547 717 H ILE 69 HN ILE 69 6.433 -3.596 3.340 718 HA ILE 69 HA ILE 69 6.598 -6.553 2.913 719 HB ILE 69 HB ILE 69 5.282 -4.486 1.119 720 1HG1 ILE 69 2HG1 ILE 69 4.092 -4.373 3.215 721 2HG1 ILE 69 3HG1 ILE 69 3.120 -5.334 2.116 722 1HG2 ILE 69 1HG2 ILE 69 5.032 -7.514 1.298 723 2HG2 ILE 69 2HG2 ILE 69 4.101 -6.484 0.220 724 3HG2 ILE 69 3HG2 ILE 69 5.843 -6.612 0.023 725 1HD1 ILE 69 3HD1 ILE 69 4.012 -7.415 3.169 726 2HD1 ILE 69 1HD1 ILE 69 4.947 -6.437 4.291 727 3HD1 ILE 69 2HD1 ILE 69 3.193 -6.398 4.339 728 QG1 ILE 69 QG1 ILE 69 3.606 -4.854 2.665 729 QG2 ILE 69 QG2 ILE 69 4.992 -6.870 0.514 730 QD1 ILE 69 QD1 ILE 69 4.051 -6.750 3.933 731 H GLY 70 HN GLY 70 7.434 -3.473 1.419 732 1HA GLY 70 1HA GLY 70 9.958 -3.599 0.678 733 2HA GLY 70 2HA GLY 70 9.368 -4.907 -0.345 734 QA GLY 70 QA GLY 70 9.663 -4.253 0.167 735 H GLY 71 HN GLY 71 9.045 -4.261 -2.343 736 1HA GLY 71 1HA GLY 71 8.179 -1.442 -2.879 737 2HA GLY 71 2HA GLY 71 9.178 -2.396 -3.972 738 QA GLY 71 QA GLY 71 8.678 -1.919 -3.425 739 OH TYR 72 OH TYR 72 1.124 -4.420 -9.975 740 H TYR 72 HN TYR 72 7.234 -1.547 -5.338 741 HA TYR 72 HA TYR 72 4.641 -2.503 -5.178 742 1HB TYR 72 2HB TYR 72 5.236 -0.964 -6.939 743 2HB TYR 72 3HB TYR 72 6.339 -2.135 -7.665 744 HD1 TYR 72 HD2 TYR 72 2.739 -1.875 -6.610 745 HD2 TYR 72 HD1 TYR 72 5.511 -3.471 -9.421 746 HE1 TYR 72 HE2 TYR 72 0.900 -2.984 -7.796 747 HE2 TYR 72 HE1 TYR 72 3.674 -4.547 -10.617 748 HH TYR 72 HH TYR 72 1.383 -4.503 -10.899 749 QB TYR 72 QB TYR 72 5.788 -1.549 -7.302 750 QR TYR 72 QR TYR 72 3.206 -3.219 -8.611 751 H THR 73 HN THR 73 7.163 -4.235 -7.041 752 HA THR 73 HA THR 73 5.797 -6.440 -7.943 753 HB THR 73 HB THR 73 7.983 -7.776 -7.399 754 HG1 THR 73 1HG THR 73 8.930 -6.845 -5.709 755 1HG2 THR 73 2HG2 THR 73 7.799 -6.326 -9.494 756 2HG2 THR 73 3HG2 THR 73 8.430 -4.978 -8.553 757 3HG2 THR 73 1HG2 THR 73 9.429 -6.400 -8.837 758 QG2 THR 73 QG2 THR 73 8.553 -5.901 -8.961 759 H ASP 74 HN ASP 74 7.366 -6.335 -4.870 760 HA ASP 74 HA ASP 74 6.303 -8.718 -3.786 761 1HB ASP 74 2HB ASP 74 6.947 -6.367 -2.019 762 2HB ASP 74 3HB ASP 74 7.352 -8.068 -1.798 763 QB ASP 74 QB ASP 74 7.150 -7.218 -1.909 764 H PHE 75 HN PHE 75 5.240 -5.337 -3.271 765 HA PHE 75 HA PHE 75 3.048 -5.858 -1.621 766 1HB PHE 75 2HB PHE 75 3.688 -3.572 -2.333 767 2HB PHE 75 3HB PHE 75 3.040 -3.895 -3.938 768 HD1 PHE 75 2HD PHE 75 1.728 -4.707 -0.498 769 HD2 PHE 75 1HD PHE 75 1.041 -2.632 -4.152 770 HE1 PHE 75 2HE PHE 75 -0.531 -4.113 0.259 771 HE2 PHE 75 1HE PHE 75 -1.198 -1.994 -3.366 772 HZ PHE 75 HZ PHE 75 -1.994 -2.743 -1.155 773 QB PHE 75 QB PHE 75 3.364 -3.734 -3.135 774 QR PHE 75 QR PHE 75 0.260 -3.362 -1.940 775 H ALA 76 HN ALA 76 3.056 -6.011 -5.200 776 HA ALA 76 HA ALA 76 0.316 -6.801 -5.472 777 1HB ALA 76 2HB ALA 76 1.747 -6.220 -7.419 778 2HB ALA 76 3HB ALA 76 2.681 -7.689 -7.174 779 3HB ALA 76 1HB ALA 76 0.985 -7.788 -7.642 780 QB ALA 76 QB ALA 76 1.804 -7.232 -7.412 781 H ALA 77 HN ALA 77 3.221 -8.870 -5.374 782 HA ALA 77 HA ALA 77 1.907 -11.371 -5.273 783 1HB ALA 77 2HB ALA 77 4.487 -10.574 -3.867 784 2HB ALA 77 3HB ALA 77 3.969 -12.229 -4.185 785 3HB ALA 77 1HB ALA 77 4.352 -11.152 -5.523 786 QB ALA 77 QB ALA 77 4.269 -11.319 -4.525 787 CH2 TRP 78 CH2 TRP 78 -1.301 -7.159 3.348 788 H TRP 78 HN TRP 78 2.982 -9.423 -2.515 789 HA TRP 78 HA TRP 78 2.067 -11.036 -0.402 790 1HB TRP 78 2HB TRP 78 3.443 -9.005 -0.118 791 2HB TRP 78 3HB TRP 78 2.104 -8.015 -0.614 792 HD1 TRP 78 HD1 TRP 78 3.409 -9.936 2.452 793 HE1 TRP 78 HE1 TRP 78 2.017 -9.373 4.463 794 HE3 TRP 78 HE3 TRP 78 -0.100 -7.206 0.171 795 HZ2 TRP 78 HZ2 TRP 78 -0.413 -8.126 5.028 796 HZ3 TRP 78 HZ3 TRP 78 -1.977 -6.308 1.513 797 HH2 TRP 78 HH2 TRP 78 -2.129 -6.764 3.920 798 QB TRP 78 QB TRP 78 2.773 -8.510 -0.366 799 H VAL 79 HN VAL 79 0.362 -8.414 -2.071 800 HA VAL 79 HA VAL 79 -2.084 -8.436 -0.717 801 HB VAL 79 HB VAL 79 -1.356 -7.934 -3.612 802 1HG1 VAL 79 1HG1 VAL 79 -4.126 -7.637 -2.377 803 2HG1 VAL 79 2HG1 VAL 79 -3.655 -7.022 -3.952 804 3HG1 VAL 79 3HG1 VAL 79 -3.692 -8.753 -3.666 805 1HG2 VAL 79 3HG2 VAL 79 -2.294 -6.159 -1.339 806 2HG2 VAL 79 1HG2 VAL 79 -0.644 -6.305 -1.913 807 3HG2 VAL 79 2HG2 VAL 79 -1.875 -5.603 -2.953 808 QG1 VAL 79 QG1 VAL 79 -3.824 -7.804 -3.332 809 QG2 VAL 79 QG2 VAL 79 -1.604 -6.022 -2.068 810 QQG VAL 79 QQG VAL 79 -2.714 -6.913 -2.700 811 H LYS 80 HN LYS 80 -1.196 -10.377 -3.526 812 HA LYS 80 HA LYS 80 -3.525 -11.668 -4.124 813 1HB LYS 80 2HB LYS 80 -1.470 -12.138 -5.337 814 2HB LYS 80 3HB LYS 80 -0.770 -12.919 -3.929 815 1HG LYS 80 2HG LYS 80 -1.547 -14.643 -5.450 816 2HG LYS 80 3HG LYS 80 -2.568 -14.655 -4.027 817 1HD LYS 80 2HD LYS 80 -4.101 -13.034 -5.430 818 2HD LYS 80 3HD LYS 80 -3.206 -13.661 -6.802 819 1HE LYS 80 2HE LYS 80 -5.163 -15.042 -6.539 820 2HE LYS 80 3HE LYS 80 -3.782 -15.996 -6.009 821 1HZ LYS 80 2HZ LYS 80 -4.832 -14.514 -3.843 822 2HZ LYS 80 3HZ LYS 80 -6.089 -15.394 -4.588 823 3HZ LYS 80 1HZ LYS 80 -4.670 -16.195 -3.999 824 QB LYS 80 QB LYS 80 -1.120 -12.528 -4.633 825 QG LYS 80 QG LYS 80 -2.058 -14.649 -4.738 826 QD LYS 80 QD LYS 80 -3.654 -13.347 -6.116 827 QE LYS 80 QE LYS 80 -4.473 -15.519 -6.274 828 QZ LYS 80 QZ LYS 80 -5.197 -15.368 -4.143 829 H GLU 81 HN GLU 81 -1.575 -12.538 -1.288 830 HA GLU 81 HA GLU 81 -3.758 -14.482 -0.577 831 1HB GLU 81 2HB GLU 81 -0.843 -14.784 -0.622 832 2HB GLU 81 3HB GLU 81 -1.524 -15.225 0.940 833 1HG GLU 81 2HG GLU 81 -1.615 -17.221 -0.344 834 2HG GLU 81 3HG GLU 81 -3.258 -16.604 -0.390 835 QB GLU 81 QB GLU 81 -1.184 -15.004 0.159 836 QG GLU 81 QG GLU 81 -2.436 -16.912 -0.367 837 H ASN 82 HN ASN 82 -1.816 -11.810 0.686 838 HA ASN 82 HA ASN 82 -2.766 -12.331 3.420 839 1HB ASN 82 2HB ASN 82 -1.318 -9.990 2.147 840 2HB ASN 82 3HB ASN 82 -1.888 -9.943 3.809 841 1HD2 ASN 82 2HD2 ASN 82 1.345 -12.223 2.847 842 2HD2 ASN 82 1HD2 ASN 82 0.427 -11.452 1.636 843 QB ASN 82 QB ASN 82 -1.603 -9.966 2.978 844 QD2 ASN 82 QD2 ASN 82 0.886 -11.837 2.241 845 H LEU 83 HN LEU 83 -3.952 -10.905 0.583 846 HA LEU 83 HA LEU 83 -6.282 -9.776 2.109 847 1HB LEU 83 2HB LEU 83 -5.207 -8.918 -0.603 848 2HB LEU 83 3HB LEU 83 -6.610 -8.231 0.211 849 HG LEU 83 HG LEU 83 -3.752 -8.190 1.267 850 1HD1 LEU 83 2HD1 LEU 83 -4.170 -6.671 -0.646 851 2HD1 LEU 83 3HD1 LEU 83 -5.537 -5.974 0.215 852 3HD1 LEU 83 1HD1 LEU 83 -3.905 -5.770 0.835 853 1HD2 LEU 83 2HD2 LEU 83 -6.317 -6.970 2.380 854 2HD2 LEU 83 3HD2 LEU 83 -5.399 -8.287 3.106 855 3HD2 LEU 83 1HD2 LEU 83 -4.700 -6.683 3.014 856 QB LEU 83 QB LEU 83 -5.908 -8.574 -0.196 857 QD1 LEU 83 QD1 LEU 83 -4.537 -6.139 0.134 858 QD2 LEU 83 QD2 LEU 83 -5.472 -7.313 2.833 859 QQD LEU 83 QQD LEU 83 -5.005 -6.726 1.484 860 H ASP 84 HN ASP 84 -5.398 -12.365 0.791 861 HA ASP 84 HA ASP 84 -6.170 -13.996 -0.666 862 1HB ASP 84 2HB ASP 84 -8.278 -14.868 0.254 863 2HB ASP 84 3HB ASP 84 -7.131 -14.425 1.494 864 QB ASP 84 QB ASP 84 -7.704 -14.646 0.874 865 H ALA 85 HN ALA 85 -6.074 -12.852 -2.626 866 HA ALA 85 HA ALA 85 -8.776 -12.504 -3.847 867 1HB ALA 85 2HB ALA 85 -6.314 -10.803 -4.425 868 2HB ALA 85 3HB ALA 85 -7.857 -10.681 -5.263 869 3HB ALA 85 1HB ALA 85 -7.751 -10.264 -3.556 870 QB ALA 85 QB ALA 85 -7.308 -10.583 -4.415 Start of MODEL 15 Raw file had 870 H/Q atoms Start of MODEL 15 1 H MET 1 HN MET 1 -7.192 -4.065 8.472 2 HA MET 1 HA MET 1 -5.105 -3.363 9.029 3 1HB MET 1 2HB MET 1 -4.388 -4.703 6.390 4 2HB MET 1 3HB MET 1 -3.197 -4.051 7.501 5 1HG MET 1 2HG MET 1 -3.478 -6.445 7.883 6 2HG MET 1 3HG MET 1 -3.987 -5.532 9.274 7 1HE MET 1 3HE MET 1 -4.743 -7.338 6.240 8 2HE MET 1 1HE MET 1 -6.172 -8.310 6.570 9 3HE MET 1 2HE MET 1 -6.352 -6.673 5.938 10 QB MET 1 QB MET 1 -3.792 -4.377 6.946 11 QG MET 1 QG MET 1 -3.733 -5.988 8.579 12 QE MET 1 QE MET 1 -5.756 -7.440 6.250 13 H GLN 2 HN GLN 2 -3.323 -1.855 8.212 14 HA GLN 2 HA GLN 2 -4.518 0.176 6.474 15 1HB GLN 2 2HB GLN 2 -2.779 1.654 7.644 16 2HB GLN 2 3HB GLN 2 -4.203 1.199 8.563 17 1HG GLN 2 2HG GLN 2 -3.027 -0.438 9.756 18 2HG GLN 2 3HG GLN 2 -1.719 -0.498 8.589 19 1HE2 GLN 2 2HE2 GLN 2 0.148 1.868 10.432 20 2HE2 GLN 2 1HE2 GLN 2 0.157 0.530 9.389 21 QB GLN 2 QB GLN 2 -3.491 1.426 8.104 22 QG GLN 2 QG GLN 2 -2.373 -0.468 9.173 23 QE2 GLN 2 QE2 GLN 2 0.153 1.199 9.911 24 H THR 3 HN THR 3 -3.503 0.555 4.563 25 HA THR 3 HA THR 3 -0.734 -0.547 4.256 26 HB THR 3 HB THR 3 -2.856 0.010 2.125 27 HG1 THR 3 1HG THR 3 -3.531 -1.801 2.961 28 1HG2 THR 3 3HG2 THR 3 -0.256 -1.599 2.008 29 2HG2 THR 3 1HG2 THR 3 -1.398 -1.368 0.686 30 3HG2 THR 3 2HG2 THR 3 -0.446 -0.009 1.274 31 QG2 THR 3 QG2 THR 3 -0.700 -0.992 1.323 32 H VAL 4 HN VAL 4 0.864 0.888 3.970 33 HA VAL 4 HA VAL 4 0.096 3.635 3.048 34 HB VAL 4 HB VAL 4 0.689 3.592 5.475 35 1HG1 VAL 4 1HG1 VAL 4 2.285 1.692 5.361 36 2HG1 VAL 4 2HG1 VAL 4 3.424 2.721 4.497 37 3HG1 VAL 4 3HG1 VAL 4 2.981 3.092 6.161 38 1HG2 VAL 4 1HG2 VAL 4 1.135 5.603 4.094 39 2HG2 VAL 4 2HG2 VAL 4 2.341 5.422 5.361 40 3HG2 VAL 4 3HG2 VAL 4 2.737 4.981 3.704 41 QG1 VAL 4 QG1 VAL 4 2.897 2.501 5.340 42 QG2 VAL 4 QG2 VAL 4 2.071 5.335 4.386 43 QQG VAL 4 QQG VAL 4 2.484 3.918 4.863 44 H ILE 5 HN ILE 5 1.370 4.566 1.594 45 HA ILE 5 HA ILE 5 3.631 2.949 0.451 46 HB ILE 5 HB ILE 5 1.901 5.019 -0.957 47 1HG1 ILE 5 2HG1 ILE 5 1.724 2.054 -1.481 48 2HG1 ILE 5 3HG1 ILE 5 0.759 2.780 -0.200 49 1HG2 ILE 5 1HG2 ILE 5 3.885 2.965 -2.003 50 2HG2 ILE 5 2HG2 ILE 5 2.908 4.022 -3.008 51 3HG2 ILE 5 3HG2 ILE 5 4.130 4.709 -1.950 52 1HD1 ILE 5 1HD1 ILE 5 -0.219 4.360 -1.835 53 2HD1 ILE 5 2HD1 ILE 5 0.736 3.617 -3.115 54 3HD1 ILE 5 3HD1 ILE 5 -0.521 2.690 -2.304 55 QG1 ILE 5 QG1 ILE 5 1.242 2.417 -0.840 56 QG2 ILE 5 QG2 ILE 5 3.641 3.899 -2.321 57 QD1 ILE 5 QD1 ILE 5 -0.001 3.556 -2.418 58 H PHE 6 HN PHE 6 5.569 3.904 0.887 59 HA PHE 6 HA PHE 6 5.678 6.881 1.159 60 1HB PHE 6 2HB PHE 6 7.771 4.819 1.974 61 2HB PHE 6 3HB PHE 6 7.769 6.526 2.365 62 HD1 PHE 6 1HD PHE 6 5.677 7.380 3.761 63 HD2 PHE 6 2HD PHE 6 6.834 3.292 3.473 64 HE1 PHE 6 1HE PHE 6 4.523 6.904 5.873 65 HE2 PHE 6 2HE PHE 6 5.758 2.839 5.632 66 HZ PHE 6 HZ PHE 6 4.556 4.632 6.815 67 QB PHE 6 QB PHE 6 7.770 5.673 2.169 68 QR PHE 6 QR PHE 6 5.698 5.104 4.685 69 H GLY 7 HN GLY 7 5.502 6.811 -1.229 70 1HA GLY 7 1HA GLY 7 8.229 6.621 -2.397 71 2HA GLY 7 2HA GLY 7 6.960 5.683 -3.173 72 QA GLY 7 QA GLY 7 7.595 6.152 -2.785 73 NH1 ARG 8 NH1 ARG 8 4.581 12.824 -6.475 74 NH2 ARG 8 NH2 ARG 8 4.830 13.439 -8.667 75 H ARG 8 HN ARG 8 7.989 7.284 -4.876 76 HA ARG 8 HA ARG 8 6.361 9.800 -4.834 77 1HB ARG 8 2HB ARG 8 9.028 9.698 -5.155 78 2HB ARG 8 3HB ARG 8 8.577 9.364 -6.819 79 1HG ARG 8 2HG ARG 8 7.420 11.712 -5.279 80 2HG ARG 8 3HG ARG 8 8.926 11.841 -6.175 81 1HD ARG 8 2HD ARG 8 7.866 11.447 -8.265 82 2HD ARG 8 3HD ARG 8 6.405 10.818 -7.518 83 HE ARG 8 HE ARG 8 7.194 13.708 -7.289 84 1HH1 ARG 8 2HH1 ARG 8 5.013 12.530 -5.602 85 2HH1 ARG 8 1HH1 ARG 8 3.588 12.928 -6.521 86 1HH2 ARG 8 2HH2 ARG 8 5.434 13.581 -9.446 87 2HH2 ARG 8 1HH2 ARG 8 3.848 13.562 -8.773 88 QB ARG 8 QB ARG 8 8.802 9.531 -5.987 89 QG ARG 8 QG ARG 8 8.173 11.777 -5.727 90 QD ARG 8 QD ARG 8 7.136 11.133 -7.891 91 QH1 ARG 8 QH1 ARG 8 4.301 12.729 -6.061 92 QH2 ARG 8 QH2 ARG 8 4.641 13.572 -9.110 93 H SER 9 HN SER 9 4.668 9.795 -6.168 94 HA SER 9 HA SER 9 4.621 7.731 -8.337 95 1HB SER 9 2HB SER 9 3.002 7.565 -6.325 96 2HB SER 9 3HB SER 9 2.149 8.929 -7.063 97 HG SER 9 HG SER 9 1.535 6.716 -7.789 98 QB SER 9 QB SER 9 2.575 8.247 -6.694 99 H GLY 10 HN GLY 10 2.455 8.421 -9.640 100 1HA GLY 10 1HA GLY 10 1.524 10.576 -10.728 101 2HA GLY 10 2HA GLY 10 3.216 10.965 -11.043 102 QA GLY 10 QA GLY 10 2.370 10.771 -10.885 103 H CYS 11 HN CYS 11 4.226 8.554 -11.722 104 HA CYS 11 HA CYS 11 2.681 7.747 -14.167 105 1HB CYS 11 2HB CYS 11 4.770 9.101 -14.611 106 2HB CYS 11 3HB CYS 11 5.692 7.845 -13.827 107 HG CYS 11 HG CYS 11 4.600 7.734 -16.685 108 QB CYS 11 QB CYS 11 5.231 8.473 -14.219 109 HA PRO 12 HA PRO 12 1.103 5.066 -12.130 110 1HB PRO 12 2HB PRO 12 2.632 2.568 -12.789 111 2HB PRO 12 3HB PRO 12 0.887 2.838 -12.742 112 1HG PRO 12 2HG PRO 12 2.494 2.877 -15.075 113 2HG PRO 12 3HG PRO 12 0.843 3.491 -14.961 114 1HD PRO 12 2HD PRO 12 3.235 5.044 -15.381 115 2HD PRO 12 3HD PRO 12 1.596 5.665 -15.101 116 QB PRO 12 QB PRO 12 1.760 2.703 -12.766 117 QG PRO 12 QG PRO 12 1.669 3.184 -15.018 118 QD PRO 12 QD PRO 12 2.416 5.355 -15.241 119 OH TYR 13 OH TYR 13 10.144 5.619 -12.993 120 H TYR 13 HN TYR 13 4.260 3.431 -11.874 121 HA TYR 13 HA TYR 13 5.506 2.808 -10.000 122 1HB TYR 13 2HB TYR 13 4.970 5.759 -9.624 123 2HB TYR 13 3HB TYR 13 6.016 4.881 -8.523 124 HD1 TYR 13 HD1 TYR 13 6.916 3.039 -11.171 125 HD2 TYR 13 HD2 TYR 13 7.004 7.162 -10.108 126 HE1 TYR 13 HE1 TYR 13 8.837 3.370 -12.624 127 HE2 TYR 13 HE2 TYR 13 8.947 7.484 -11.571 128 HH TYR 13 HH TYR 13 10.905 5.732 -12.416 129 QB TYR 13 QB TYR 13 5.493 5.320 -9.074 130 QR TYR 13 QR TYR 13 7.926 5.264 -11.368 131 H CYS 14 HN CYS 14 3.103 4.962 -8.424 132 HA CYS 14 HA CYS 14 2.620 2.665 -6.558 133 1HB CYS 14 2HB CYS 14 2.094 5.556 -5.883 134 2HB CYS 14 3HB CYS 14 2.118 4.187 -4.810 135 HG CYS 14 HG CYS 14 4.605 5.713 -5.804 136 QB CYS 14 QB CYS 14 2.106 4.871 -5.347 137 H VAL 15 HN VAL 15 1.222 4.830 -8.810 138 HA VAL 15 HA VAL 15 -1.452 5.017 -8.075 139 HB VAL 15 HB VAL 15 -0.381 4.400 -10.856 140 1HG1 VAL 15 3HG1 VAL 15 -2.992 5.678 -9.970 141 2HG1 VAL 15 1HG1 VAL 15 -2.443 5.531 -11.636 142 3HG1 VAL 15 2HG1 VAL 15 -2.837 4.089 -10.708 143 1HG2 VAL 15 3HG2 VAL 15 -0.959 7.043 -9.450 144 2HG2 VAL 15 1HG2 VAL 15 0.642 6.420 -9.816 145 3HG2 VAL 15 2HG2 VAL 15 -0.437 6.876 -11.123 146 QG1 VAL 15 QG1 VAL 15 -2.757 5.099 -10.771 147 QG2 VAL 15 QG2 VAL 15 -0.251 6.779 -10.130 148 QQG VAL 15 QQG VAL 15 -1.504 5.939 -10.450 149 NH1 ARG 16 NH1 ARG 16 -3.784 1.392 -13.594 150 NH2 ARG 16 NH2 ARG 16 -5.124 1.445 -11.750 151 H ARG 16 HN ARG 16 0.229 2.167 -9.261 152 HA ARG 16 HA ARG 16 -2.253 0.614 -9.456 153 1HB ARG 16 2HB ARG 16 0.668 -0.126 -9.701 154 2HB ARG 16 3HB ARG 16 -0.610 -1.338 -9.734 155 1HG ARG 16 2HG ARG 16 -0.391 1.052 -11.618 156 2HG ARG 16 3HG ARG 16 -0.020 -0.614 -12.035 157 1HD ARG 16 2HD ARG 16 -2.221 -0.543 -12.785 158 2HD ARG 16 3HD ARG 16 -2.527 -1.009 -11.118 159 HE ARG 16 HE ARG 16 -2.682 1.660 -10.821 160 1HH1 ARG 16 2HH1 ARG 16 -2.871 1.275 -13.976 161 2HH1 ARG 16 1HH1 ARG 16 -4.555 1.588 -14.202 162 1HH2 ARG 16 2HH2 ARG 16 -5.217 1.404 -10.750 163 2HH2 ARG 16 1HH2 ARG 16 -5.947 1.609 -12.299 164 QB ARG 16 QB ARG 16 0.029 -0.732 -9.717 165 QG ARG 16 QG ARG 16 -0.205 0.219 -11.826 166 QD ARG 16 QD ARG 16 -2.374 -0.776 -11.952 167 QH1 ARG 16 QH1 ARG 16 -3.713 1.432 -14.089 168 QH2 ARG 16 QH2 ARG 16 -5.582 1.507 -11.525 169 H ALA 17 HN ALA 17 0.346 0.943 -7.069 170 HA ALA 17 HA ALA 17 -0.642 -1.167 -5.363 171 1HB ALA 17 2HB ALA 17 1.602 -0.119 -5.050 172 2HB ALA 17 3HB ALA 17 0.826 1.393 -4.589 173 3HB ALA 17 1HB ALA 17 0.650 -0.040 -3.574 174 QB ALA 17 QB ALA 17 1.026 0.411 -4.404 175 H LYS 18 HN LYS 18 -1.082 2.316 -5.471 176 HA LYS 18 HA LYS 18 -3.032 2.593 -3.445 177 1HB LYS 18 2HB LYS 18 -2.026 4.585 -4.292 178 2HB LYS 18 3HB LYS 18 -2.406 4.168 -5.954 179 1HG LYS 18 2HG LYS 18 -4.790 4.382 -4.222 180 2HG LYS 18 3HG LYS 18 -3.886 5.882 -4.366 181 1HD LYS 18 2HD LYS 18 -4.010 5.773 -6.815 182 2HD LYS 18 3HD LYS 18 -4.791 4.202 -6.744 183 1HE LYS 18 2HE LYS 18 -5.939 6.708 -5.471 184 2HE LYS 18 3HE LYS 18 -6.385 6.137 -7.077 185 1HZ LYS 18 1HZ LYS 18 -6.632 3.935 -5.475 186 2HZ LYS 18 2HZ LYS 18 -7.230 5.199 -4.513 187 3HZ LYS 18 3HZ LYS 18 -7.917 4.897 -6.044 188 QB LYS 18 QB LYS 18 -2.216 4.376 -5.123 189 QG LYS 18 QG LYS 18 -4.338 5.132 -4.294 190 QD LYS 18 QD LYS 18 -4.400 4.987 -6.780 191 QE LYS 18 QE LYS 18 -6.162 6.422 -6.274 192 QZ LYS 18 QZ LYS 18 -7.260 4.677 -5.344 193 H ASP 19 HN ASP 19 -3.549 2.201 -6.981 194 HA ASP 19 HA ASP 19 -6.382 2.092 -6.864 195 1HB ASP 19 2HB ASP 19 -4.919 2.172 -8.963 196 2HB ASP 19 3HB ASP 19 -4.707 0.432 -8.781 197 QB ASP 19 QB ASP 19 -4.813 1.302 -8.872 198 H LEU 20 HN LEU 20 -4.124 -0.684 -7.024 199 HA LEU 20 HA LEU 20 -5.988 -2.733 -6.582 200 1HB LEU 20 2HB LEU 20 -3.686 -3.297 -7.062 201 2HB LEU 20 3HB LEU 20 -3.110 -2.461 -5.628 202 HG LEU 20 HG LEU 20 -4.203 -4.118 -4.176 203 1HD1 LEU 20 1HD1 LEU 20 -5.057 -5.446 -6.773 204 2HD1 LEU 20 2HD1 LEU 20 -5.262 -6.125 -5.160 205 3HD1 LEU 20 3HD1 LEU 20 -6.139 -4.671 -5.617 206 1HD2 LEU 20 3HD2 LEU 20 -2.561 -5.392 -6.401 207 2HD2 LEU 20 1HD2 LEU 20 -1.906 -4.573 -4.987 208 3HD2 LEU 20 2HD2 LEU 20 -2.798 -6.076 -4.795 209 QB LEU 20 QB LEU 20 -3.398 -2.879 -6.345 210 QD1 LEU 20 QD1 LEU 20 -5.486 -5.414 -5.850 211 QD2 LEU 20 QD2 LEU 20 -2.422 -5.347 -5.394 212 QQD LEU 20 QQD LEU 20 -3.954 -5.380 -5.622 213 H ALA 21 HN ALA 21 -4.043 -1.130 -4.121 214 HA ALA 21 HA ALA 21 -5.167 -2.269 -1.831 215 1HB ALA 21 3HB ALA 21 -3.164 -0.782 -1.867 216 2HB ALA 21 1HB ALA 21 -4.207 0.595 -2.204 217 3HB ALA 21 2HB ALA 21 -4.332 -0.257 -0.670 218 QB ALA 21 QB ALA 21 -3.901 -0.148 -1.581 219 H GLU 22 HN GLU 22 -6.131 0.747 -3.449 220 HA GLU 22 HA GLU 22 -8.375 1.390 -1.866 221 1HB GLU 22 2HB GLU 22 -7.406 2.788 -3.747 222 2HB GLU 22 3HB GLU 22 -8.157 1.682 -4.885 223 1HG GLU 22 2HG GLU 22 -10.349 2.301 -4.266 224 2HG GLU 22 3HG GLU 22 -9.824 3.011 -2.740 225 QB GLU 22 QB GLU 22 -7.781 2.235 -4.316 226 QG GLU 22 QG GLU 22 -10.086 2.656 -3.503 227 H LYS 23 HN LYS 23 -8.162 -0.550 -4.766 228 HA LYS 23 HA LYS 23 -10.808 -1.364 -5.055 229 1HB LYS 23 2HB LYS 23 -8.556 -1.900 -6.389 230 2HB LYS 23 3HB LYS 23 -8.619 -3.386 -5.460 231 1HG LYS 23 2HG LYS 23 -11.014 -2.343 -7.010 232 2HG LYS 23 3HG LYS 23 -9.808 -3.361 -7.770 233 1HD LYS 23 2HD LYS 23 -11.334 -4.149 -5.265 234 2HD LYS 23 3HD LYS 23 -11.797 -4.623 -6.893 235 1HE LYS 23 2HE LYS 23 -9.482 -5.622 -7.175 236 2HE LYS 23 3HE LYS 23 -9.207 -5.308 -5.464 237 1HZ LYS 23 3HZ LYS 23 -11.646 -6.593 -5.627 238 2HZ LYS 23 1HZ LYS 23 -10.584 -7.451 -6.645 239 3HZ LYS 23 2HZ LYS 23 -10.195 -7.198 -5.007 240 QB LYS 23 QB LYS 23 -8.588 -2.643 -5.925 241 QG LYS 23 QG LYS 23 -10.411 -2.852 -7.390 242 QD LYS 23 QD LYS 23 -11.565 -4.386 -6.079 243 QE LYS 23 QE LYS 23 -9.344 -5.465 -6.319 244 QZ LYS 23 QZ LYS 23 -10.808 -7.081 -5.760 245 H LEU 24 HN LEU 24 -8.267 -2.923 -3.106 246 HA LEU 24 HA LEU 24 -9.998 -4.844 -1.837 247 1HB LEU 24 2HB LEU 24 -7.333 -3.659 -1.078 248 2HB LEU 24 3HB LEU 24 -8.145 -4.838 -0.053 249 HG LEU 24 HG LEU 24 -7.895 -5.428 -2.998 250 1HD1 LEU 24 2HD1 LEU 24 -5.620 -4.741 -2.232 251 2HD1 LEU 24 3HD1 LEU 24 -5.719 -5.936 -0.947 252 3HD1 LEU 24 1HD1 LEU 24 -5.708 -6.446 -2.631 253 1HD2 LEU 24 3HD2 LEU 24 -9.221 -6.870 -1.435 254 2HD2 LEU 24 1HD2 LEU 24 -7.863 -7.737 -2.143 255 3HD2 LEU 24 2HD2 LEU 24 -7.767 -7.145 -0.487 256 QB LEU 24 QB LEU 24 -7.739 -4.248 -0.566 257 QD1 LEU 24 QD1 LEU 24 -5.682 -5.708 -1.937 258 QD2 LEU 24 QD2 LEU 24 -8.284 -7.251 -1.355 259 QQD LEU 24 QQD LEU 24 -6.983 -6.479 -1.646 260 H SER 25 HN SER 25 -9.220 -1.542 -1.199 261 HA SER 25 HA SER 25 -10.448 -1.360 1.392 262 1HB SER 25 2HB SER 25 -8.972 0.438 0.172 263 2HB SER 25 3HB SER 25 -10.482 0.927 -0.617 264 HG SER 25 HG SER 25 -10.372 0.481 2.178 265 QB SER 25 QB SER 25 -9.727 0.682 -0.223 266 H ASN 26 HN ASN 26 -11.598 -1.413 -1.898 267 HA ASN 26 HA ASN 26 -14.390 -0.854 -1.018 268 1HB ASN 26 2HB ASN 26 -13.433 0.178 -3.137 269 2HB ASN 26 3HB ASN 26 -13.353 -1.448 -3.810 270 1HD2 ASN 26 2HD2 ASN 26 -16.860 -1.625 -4.403 271 2HD2 ASN 26 1HD2 ASN 26 -15.440 -2.544 -4.269 272 QB ASN 26 QB ASN 26 -13.393 -0.635 -3.474 273 QD2 ASN 26 QD2 ASN 26 -16.150 -2.084 -4.336 274 H GLU 27 HN GLU 27 -12.905 -3.198 -0.206 275 HA GLU 27 HA GLU 27 -14.766 -5.292 -1.248 276 1HB GLU 27 2HB GLU 27 -11.787 -5.576 -0.707 277 2HB GLU 27 3HB GLU 27 -12.864 -6.954 -0.849 278 1HG GLU 27 2HG GLU 27 -13.536 -6.212 -3.114 279 2HG GLU 27 3HG GLU 27 -12.420 -4.865 -2.995 280 QB GLU 27 QB GLU 27 -12.325 -6.265 -0.778 281 QG GLU 27 QG GLU 27 -12.978 -5.538 -3.055 282 NH1 ARG 28 NH1 ARG 28 -9.891 -9.659 0.998 283 NH2 ARG 28 NH2 ARG 28 -10.878 -9.090 -0.972 284 H ARG 28 HN ARG 28 -12.345 -4.889 1.376 285 HA ARG 28 HA ARG 28 -14.463 -5.866 3.284 286 1HB ARG 28 2HB ARG 28 -11.438 -6.203 3.490 287 2HB ARG 28 3HB ARG 28 -12.585 -6.660 4.738 288 1HG ARG 28 2HG ARG 28 -11.914 -8.631 3.430 289 2HG ARG 28 3HG ARG 28 -13.623 -8.300 3.195 290 1HD ARG 28 2HD ARG 28 -13.299 -7.512 1.015 291 2HD ARG 28 3HD ARG 28 -11.602 -7.121 1.290 292 HE ARG 28 HE ARG 28 -12.571 -9.963 1.167 293 1HH1 ARG 28 2HH1 ARG 28 -9.999 -9.837 1.987 294 2HH1 ARG 28 1HH1 ARG 28 -9.012 -9.793 0.552 295 1HH2 ARG 28 2HH2 ARG 28 -11.709 -8.827 -1.478 296 2HH2 ARG 28 1HH2 ARG 28 -10.025 -9.203 -1.473 297 QB ARG 28 QB ARG 28 -12.011 -6.432 4.114 298 QG ARG 28 QG ARG 28 -12.768 -8.465 3.312 299 QD ARG 28 QD ARG 28 -12.451 -7.317 1.153 300 QH1 ARG 28 QH1 ARG 28 -9.505 -9.815 1.269 301 QH2 ARG 28 QH2 ARG 28 -10.867 -9.015 -1.476 302 H ASP 29 HN ASP 29 -14.925 -4.494 4.952 303 HA ASP 29 HA ASP 29 -13.770 -1.826 4.883 304 1HB ASP 29 2HB ASP 29 -15.501 -2.907 7.107 305 2HB ASP 29 3HB ASP 29 -15.436 -1.267 6.467 306 QB ASP 29 QB ASP 29 -15.469 -2.087 6.787 307 H ASP 30 HN ASP 30 -11.969 -4.025 5.534 308 HA ASP 30 HA ASP 30 -11.041 -3.179 8.241 309 1HB ASP 30 2HB ASP 30 -10.282 -5.353 8.572 310 2HB ASP 30 3HB ASP 30 -11.524 -5.738 7.388 311 QB ASP 30 QB ASP 30 -10.903 -5.546 7.980 312 H PHE 31 HN PHE 31 -10.451 -3.371 4.867 313 HA PHE 31 HA PHE 31 -7.591 -2.684 5.166 314 1HB PHE 31 2HB PHE 31 -8.369 -4.558 3.666 315 2HB PHE 31 3HB PHE 31 -9.148 -3.347 2.654 316 HD1 PHE 31 2HD PHE 31 -5.836 -4.418 4.006 317 HD2 PHE 31 1HD PHE 31 -7.871 -2.030 1.125 318 HE1 PHE 31 2HE PHE 31 -3.712 -3.983 2.855 319 HE2 PHE 31 1HE PHE 31 -5.758 -1.572 0.021 320 HZ PHE 31 HZ PHE 31 -3.664 -2.571 0.849 321 QB PHE 31 QB PHE 31 -8.758 -3.952 3.160 322 QR PHE 31 QR PHE 31 -5.794 -3.001 2.002 323 H GLN 32 HN GLN 32 -7.051 -0.732 5.213 324 HA GLN 32 HA GLN 32 -8.408 1.330 3.501 325 1HB GLN 32 2HB GLN 32 -7.075 1.746 6.214 326 2HB GLN 32 3HB GLN 32 -7.853 2.990 5.248 327 1HG GLN 32 2HG GLN 32 -10.030 1.928 5.530 328 2HG GLN 32 3HG GLN 32 -9.297 0.544 6.337 329 1HE2 GLN 32 2HE2 GLN 32 -10.334 3.659 8.582 330 2HE2 GLN 32 1HE2 GLN 32 -10.932 3.365 7.019 331 QB GLN 32 QB GLN 32 -7.464 2.368 5.731 332 QG GLN 32 QG GLN 32 -9.664 1.236 5.934 333 QE2 GLN 32 QE2 GLN 32 -10.633 3.512 7.800 334 OH TYR 33 OH TYR 33 -6.730 5.904 -2.779 335 H TYR 33 HN TYR 33 -6.930 2.514 2.216 336 HA TYR 33 HA TYR 33 -4.043 1.849 2.690 337 1HB TYR 33 2HB TYR 33 -3.657 1.645 0.398 338 2HB TYR 33 3HB TYR 33 -5.270 0.956 0.549 339 HD1 TYR 33 HD1 TYR 33 -7.249 2.223 -0.189 340 HD2 TYR 33 HD2 TYR 33 -3.335 3.836 -0.637 341 HE1 TYR 33 HE1 TYR 33 -8.139 3.987 -1.642 342 HE2 TYR 33 HE2 TYR 33 -4.230 5.610 -2.072 343 HH TYR 33 HH TYR 33 -7.701 5.892 -2.688 344 QB TYR 33 QB TYR 33 -4.464 1.301 0.473 345 QR TYR 33 QR TYR 33 -5.738 3.914 -1.135 346 H GLN 34 HN GLN 34 -2.556 3.483 2.051 347 HA GLN 34 HA GLN 34 -3.625 6.232 1.864 348 1HB GLN 34 2HB GLN 34 -1.810 5.201 4.082 349 2HB GLN 34 3HB GLN 34 -2.026 6.905 3.736 350 1HG GLN 34 2HG GLN 34 -3.604 6.549 5.432 351 2HG GLN 34 3HG GLN 34 -4.578 6.410 3.984 352 1HE2 GLN 34 2HE2 GLN 34 -3.878 2.601 4.962 353 2HE2 GLN 34 1HE2 GLN 34 -2.748 3.556 4.136 354 QB GLN 34 QB GLN 34 -1.918 6.053 3.909 355 QG GLN 34 QG GLN 34 -4.091 6.480 4.708 356 QE2 GLN 34 QE2 GLN 34 -3.313 3.079 4.549 357 OH TYR 35 OH TYR 35 3.766 9.300 -4.507 358 H TYR 35 HN TYR 35 -2.527 7.203 0.252 359 HA TYR 35 HA TYR 35 0.210 6.189 -0.387 360 1HB TYR 35 2HB TYR 35 -1.201 6.270 -2.381 361 2HB TYR 35 3HB TYR 35 -1.709 7.918 -2.010 362 HD1 TYR 35 HD2 TYR 35 1.353 5.882 -2.772 363 HD2 TYR 35 HD1 TYR 35 -0.404 9.762 -2.802 364 HE1 TYR 35 HE2 TYR 35 3.378 6.795 -3.803 365 HE2 TYR 35 HE1 TYR 35 1.636 10.662 -3.827 366 HH TYR 35 HH TYR 35 4.484 9.284 -3.841 367 QB TYR 35 QB TYR 35 -1.455 7.094 -2.195 368 QR TYR 35 QR TYR 35 1.491 8.275 -3.301 369 H VAL 36 HN VAL 36 1.845 7.345 0.469 370 HA VAL 36 HA VAL 36 1.334 10.238 1.052 371 HB VAL 36 HB VAL 36 3.190 8.340 2.559 372 1HG1 VAL 36 3HG1 VAL 36 3.693 10.769 2.762 373 2HG1 VAL 36 1HG1 VAL 36 2.039 11.053 3.297 374 3HG1 VAL 36 2HG1 VAL 36 3.135 10.094 4.286 375 1HG2 VAL 36 1HG2 VAL 36 0.369 9.223 3.278 376 2HG2 VAL 36 2HG2 VAL 36 0.840 7.595 2.806 377 3HG2 VAL 36 3HG2 VAL 36 1.434 8.277 4.313 378 QG1 VAL 36 QG1 VAL 36 2.956 10.639 3.448 379 QG2 VAL 36 QG2 VAL 36 0.881 8.365 3.466 380 QQG VAL 36 QQG VAL 36 1.918 9.502 3.457 381 H ASP 37 HN ASP 37 3.279 11.587 0.726 382 HA ASP 37 HA ASP 37 5.197 10.232 -1.149 383 1HB ASP 37 2HB ASP 37 3.641 11.922 -2.261 384 2HB ASP 37 3HB ASP 37 4.459 13.163 -1.314 385 QB ASP 37 QB ASP 37 4.050 12.543 -1.788 386 H ILE 38 HN ILE 38 7.203 10.419 -0.691 387 HA ILE 38 HA ILE 38 8.158 11.043 1.840 388 HB ILE 38 HB ILE 38 10.431 11.111 0.704 389 1HG1 ILE 38 2HG1 ILE 38 8.664 10.856 -1.768 390 2HG1 ILE 38 3HG1 ILE 38 9.799 12.144 -1.419 391 1HG2 ILE 38 3HG2 ILE 38 9.336 9.030 1.488 392 2HG2 ILE 38 1HG2 ILE 38 8.508 8.876 -0.059 393 3HG2 ILE 38 2HG2 ILE 38 10.259 8.733 0.024 394 1HD1 ILE 38 3HD1 ILE 38 11.667 10.488 -1.505 395 2HD1 ILE 38 1HD1 ILE 38 10.506 9.236 -1.939 396 3HD1 ILE 38 2HD1 ILE 38 10.785 10.587 -3.028 397 QG1 ILE 38 QG1 ILE 38 9.231 11.500 -1.593 398 QG2 ILE 38 QG2 ILE 38 9.367 8.880 0.484 399 QD1 ILE 38 QD1 ILE 38 10.986 10.104 -2.157 400 NH1 ARG 39 NH1 ARG 39 7.718 19.559 -1.201 401 NH2 ARG 39 NH2 ARG 39 8.531 20.401 -3.174 402 H ARG 39 HN ARG 39 7.885 13.282 -0.889 403 HA ARG 39 HA ARG 39 9.293 15.341 0.744 404 1HB ARG 39 2HB ARG 39 9.595 14.827 -1.850 405 2HB ARG 39 3HB ARG 39 8.199 15.879 -2.002 406 1HG ARG 39 2HG ARG 39 9.616 17.471 -0.399 407 2HG ARG 39 3HG ARG 39 10.968 16.532 -1.009 408 1HD ARG 39 2HD ARG 39 10.652 18.513 -2.420 409 2HD ARG 39 3HD ARG 39 10.252 17.063 -3.348 410 HE ARG 39 HE ARG 39 7.899 17.632 -3.165 411 1HH1 ARG 39 2HH1 ARG 39 7.540 18.745 -0.628 412 2HH1 ARG 39 1HH1 ARG 39 7.473 20.463 -0.861 413 1HH2 ARG 39 2HH2 ARG 39 8.962 20.220 -4.059 414 2HH2 ARG 39 1HH2 ARG 39 8.309 21.340 -2.915 415 QB ARG 39 QB ARG 39 8.897 15.353 -1.926 416 QG ARG 39 QG ARG 39 10.292 17.001 -0.704 417 QD ARG 39 QD ARG 39 10.452 17.788 -2.884 418 QH1 ARG 39 QH1 ARG 39 7.507 19.604 -0.745 419 QH2 ARG 39 QH2 ARG 39 8.635 20.780 -3.487 420 H ALA 40 HN ALA 40 6.371 14.335 1.051 421 HA ALA 40 HA ALA 40 5.068 17.031 0.982 422 1HB ALA 40 2HB ALA 40 3.879 14.237 1.076 423 2HB ALA 40 3HB ALA 40 2.935 15.719 1.110 424 3HB ALA 40 1HB ALA 40 3.887 15.308 -0.317 425 QB ALA 40 QB ALA 40 3.567 15.088 0.623 426 H GLU 41 HN GLU 41 5.375 14.084 2.892 427 HA GLU 41 HA GLU 41 4.492 15.485 5.337 428 1HB GLU 41 2HB GLU 41 5.142 12.643 4.599 429 2HB GLU 41 3HB GLU 41 5.124 13.094 6.300 430 1HG GLU 41 2HG GLU 41 2.897 12.254 5.448 431 2HG GLU 41 3HG GLU 41 2.820 13.871 6.133 432 QB GLU 41 QB GLU 41 5.133 12.869 5.449 433 QG GLU 41 QG GLU 41 2.858 13.063 5.791 434 H GLY 42 HN GLY 42 7.465 14.612 3.801 435 1HA GLY 42 1HA GLY 42 9.565 15.645 4.432 436 2HA GLY 42 2HA GLY 42 8.943 15.865 6.064 437 QA GLY 42 QA GLY 42 9.254 15.755 5.248 438 H ILE 43 HN ILE 43 9.342 13.091 3.883 439 HA ILE 43 HA ILE 43 10.534 11.575 6.174 440 HB ILE 43 HB ILE 43 9.194 10.564 3.625 441 1HG1 ILE 43 2HG1 ILE 43 8.201 10.508 6.502 442 2HG1 ILE 43 3HG1 ILE 43 7.683 11.697 5.319 443 1HG2 ILE 43 2HG2 ILE 43 10.934 9.020 4.521 444 2HG2 ILE 43 3HG2 ILE 43 10.143 9.053 6.092 445 3HG2 ILE 43 1HG2 ILE 43 9.319 8.344 4.710 446 1HD1 ILE 43 2HD1 ILE 43 6.823 9.862 3.869 447 2HD1 ILE 43 3HD1 ILE 43 7.301 8.691 5.100 448 3HD1 ILE 43 1HD1 ILE 43 6.042 9.874 5.447 449 QG1 ILE 43 QG1 ILE 43 7.942 11.102 5.911 450 QG2 ILE 43 QG2 ILE 43 10.132 8.806 5.108 451 QD1 ILE 43 QD1 ILE 43 6.722 9.476 4.805 452 H THR 44 HN THR 44 12.647 10.882 5.885 453 HA THR 44 HA THR 44 13.971 11.897 3.440 454 HB THR 44 HB THR 44 16.012 11.792 4.729 455 HG1 THR 44 1HG THR 44 16.286 10.260 6.141 456 1HG2 THR 44 2HG2 THR 44 14.362 13.436 5.766 457 2HG2 THR 44 3HG2 THR 44 13.824 12.145 6.836 458 3HG2 THR 44 1HG2 THR 44 15.477 12.739 6.936 459 QG2 THR 44 QG2 THR 44 14.554 12.773 6.513 460 H LYS 45 HN LYS 45 16.132 9.826 3.958 461 HA LYS 45 HA LYS 45 14.720 7.525 2.648 462 1HB LYS 45 2HB LYS 45 17.521 8.617 2.188 463 2HB LYS 45 3HB LYS 45 16.968 7.083 1.549 464 1HG LYS 45 2HG LYS 45 15.821 9.836 0.937 465 2HG LYS 45 3HG LYS 45 16.724 8.824 -0.175 466 1HD LYS 45 2HD LYS 45 13.938 8.322 0.933 467 2HD LYS 45 3HD LYS 45 14.380 8.626 -0.736 468 1HE LYS 45 2HE LYS 45 15.763 6.497 -0.654 469 2HE LYS 45 3HE LYS 45 15.044 6.169 0.912 470 1HZ LYS 45 1HZ LYS 45 12.974 6.745 -0.921 471 2HZ LYS 45 2HZ LYS 45 14.002 5.558 -1.591 472 3HZ LYS 45 3HZ LYS 45 13.291 5.301 -0.078 473 QB LYS 45 QB LYS 45 17.244 7.850 1.869 474 QG LYS 45 QG LYS 45 16.272 9.330 0.381 475 QD LYS 45 QD LYS 45 14.159 8.474 0.099 476 QE LYS 45 QE LYS 45 15.403 6.333 0.129 477 QZ LYS 45 QZ LYS 45 13.422 5.868 -0.863 478 H GLU 46 HN GLU 46 17.074 8.696 4.849 479 HA GLU 46 HA GLU 46 18.052 6.210 5.871 480 1HB GLU 46 2HB GLU 46 17.750 8.839 7.394 481 2HB GLU 46 3HB GLU 46 18.914 7.563 7.714 482 1HG GLU 46 2HG GLU 46 20.354 8.801 6.455 483 2HG GLU 46 3HG GLU 46 19.473 8.187 5.068 484 QB GLU 46 QB GLU 46 18.332 8.201 7.554 485 QG GLU 46 QG GLU 46 19.913 8.494 5.762 486 H ASP 47 HN ASP 47 15.480 8.456 6.789 487 HA ASP 47 HA ASP 47 14.458 6.985 9.030 488 1HB ASP 47 2HB ASP 47 13.984 9.357 8.654 489 2HB ASP 47 3HB ASP 47 13.174 8.994 7.144 490 QB ASP 47 QB ASP 47 13.579 9.176 7.899 491 H LEU 48 HN LEU 48 14.172 6.459 5.674 492 HA LEU 48 HA LEU 48 11.771 4.711 5.981 493 1HB LEU 48 2HB LEU 48 13.143 6.094 3.749 494 2HB LEU 48 3HB LEU 48 12.619 4.478 3.335 495 HG LEU 48 HG LEU 48 10.820 6.542 4.644 496 1HD1 LEU 48 1HD1 LEU 48 11.549 7.289 2.375 497 2HD1 LEU 48 2HD1 LEU 48 11.004 5.757 1.702 498 3HD1 LEU 48 3HD1 LEU 48 9.842 6.879 2.396 499 1HD2 LEU 48 3HD2 LEU 48 10.123 4.154 4.917 500 2HD2 LEU 48 1HD2 LEU 48 9.012 5.021 3.875 501 3HD2 LEU 48 2HD2 LEU 48 10.207 3.939 3.175 502 QB LEU 48 QB LEU 48 12.881 5.286 3.542 503 QD1 LEU 48 QD1 LEU 48 10.799 6.641 2.158 504 QD2 LEU 48 QD2 LEU 48 9.780 4.372 3.989 505 QQD LEU 48 QQD LEU 48 10.289 5.506 3.073 506 H GLN 49 HN GLN 49 15.074 4.580 4.867 507 HA GLN 49 HA GLN 49 15.421 1.849 4.363 508 1HB GLN 49 2HB GLN 49 17.071 3.815 4.069 509 2HB GLN 49 3HB GLN 49 17.433 3.643 5.776 510 1HG GLN 49 2HG GLN 49 17.567 1.052 4.444 511 2HG GLN 49 3HG GLN 49 18.608 2.231 3.647 512 1HE2 GLN 49 2HE2 GLN 49 19.779 0.704 7.127 513 2HE2 GLN 49 1HE2 GLN 49 18.537 0.044 6.165 514 QB GLN 49 QB GLN 49 17.252 3.729 4.922 515 QG GLN 49 QG GLN 49 18.088 1.642 4.046 516 QE2 GLN 49 QE2 GLN 49 19.158 0.374 6.646 517 H GLN 50 HN GLN 50 15.754 3.701 7.343 518 HA GLN 50 HA GLN 50 16.319 1.465 9.050 519 1HB GLN 50 2HB GLN 50 16.209 4.263 9.306 520 2HB GLN 50 3HB GLN 50 14.960 3.681 10.395 521 1HG GLN 50 2HG GLN 50 16.613 2.089 11.399 522 2HG GLN 50 3HG GLN 50 17.863 2.770 10.369 523 1HE2 GLN 50 2HE2 GLN 50 16.841 5.950 12.460 524 2HE2 GLN 50 1HE2 GLN 50 16.097 5.458 11.014 525 QB GLN 50 QB GLN 50 15.585 3.972 9.850 526 QG GLN 50 QG GLN 50 17.238 2.429 10.884 527 QE2 GLN 50 QE2 GLN 50 16.469 5.704 11.737 528 H LYS 51 HN LYS 51 13.388 2.603 7.683 529 HA LYS 51 HA LYS 51 11.682 1.369 9.766 530 1HB LYS 51 2HB LYS 51 11.158 2.917 7.239 531 2HB LYS 51 3HB LYS 51 9.874 1.939 7.910 532 1HG LYS 51 2HG LYS 51 10.300 3.117 10.141 533 2HG LYS 51 3HG LYS 51 11.309 4.244 9.249 534 1HD LYS 51 2HD LYS 51 9.290 4.550 7.665 535 2HD LYS 51 3HD LYS 51 8.348 3.678 8.861 536 1HE LYS 51 2HE LYS 51 8.065 6.054 9.272 537 2HE LYS 51 3HE LYS 51 9.041 5.386 10.578 538 1HZ LYS 51 3HZ LYS 51 10.822 6.103 8.604 539 2HZ LYS 51 1HZ LYS 51 9.750 7.417 8.693 540 3HZ LYS 51 2HZ LYS 51 10.600 6.899 10.062 541 QB LYS 51 QB LYS 51 10.516 2.428 7.574 542 QG LYS 51 QG LYS 51 10.804 3.681 9.695 543 QD LYS 51 QD LYS 51 8.819 4.114 8.263 544 QE LYS 51 QE LYS 51 8.553 5.720 9.925 545 QZ LYS 51 QZ LYS 51 10.391 6.806 9.120 546 H ALA 52 HN ALA 52 12.532 0.768 6.400 547 HA ALA 52 HA ALA 52 11.065 -1.815 6.428 548 1HB ALA 52 2HB ALA 52 12.715 -0.459 4.269 549 2HB ALA 52 3HB ALA 52 11.811 -1.949 4.045 550 3HB ALA 52 1HB ALA 52 10.961 -0.446 4.384 551 QB ALA 52 QB ALA 52 11.829 -0.951 4.233 552 H GLY 53 HN GLY 53 14.319 -0.627 6.282 553 1HA GLY 53 1HA GLY 53 16.051 -1.917 7.550 554 2HA GLY 53 2HA GLY 53 15.414 -3.357 6.737 555 QA GLY 53 QA GLY 53 15.733 -2.637 7.144 556 H LYS 54 HN LYS 54 15.116 -2.992 4.416 557 HA LYS 54 HA LYS 54 16.414 -3.232 2.424 558 1HB LYS 54 2HB LYS 54 16.097 -0.275 3.012 559 2HB LYS 54 3HB LYS 54 16.537 -0.909 1.432 560 1HG LYS 54 2HG LYS 54 14.465 -2.216 1.328 561 2HG LYS 54 3HG LYS 54 14.034 -1.713 2.954 562 1HD LYS 54 2HD LYS 54 13.480 0.441 2.317 563 2HD LYS 54 3HD LYS 54 14.598 0.453 0.963 564 1HE LYS 54 2HE LYS 54 11.972 -1.073 1.085 565 2HE LYS 54 3HE LYS 54 12.273 0.381 0.138 566 1HZ LYS 54 2HZ LYS 54 14.268 -1.571 -0.422 567 2HZ LYS 54 3HZ LYS 54 12.721 -2.245 -0.639 568 3HZ LYS 54 1HZ LYS 54 13.164 -0.847 -1.490 569 QB LYS 54 QB LYS 54 16.317 -0.592 2.222 570 QG LYS 54 QG LYS 54 14.249 -1.964 2.141 571 QD LYS 54 QD LYS 54 14.039 0.447 1.640 572 QE LYS 54 QE LYS 54 12.122 -0.346 0.612 573 QZ LYS 54 QZ LYS 54 13.384 -1.554 -0.850 574 HA PRO 55 HA PRO 55 20.156 -0.580 3.160 575 1HB PRO 55 2HB PRO 55 21.319 -0.290 0.694 576 2HB PRO 55 3HB PRO 55 21.568 -1.734 1.682 577 1HG PRO 55 2HG PRO 55 19.923 -1.400 -0.790 578 2HG PRO 55 3HG PRO 55 20.653 -2.867 -0.128 579 1HD PRO 55 2HD PRO 55 17.903 -1.981 0.150 580 2HD PRO 55 3HD PRO 55 18.641 -3.448 0.829 581 QB PRO 55 QB PRO 55 21.444 -1.012 1.188 582 QG PRO 55 QG PRO 55 20.288 -2.133 -0.459 583 QD PRO 55 QD PRO 55 18.272 -2.715 0.490 584 H VAL 56 HN VAL 56 20.917 1.441 1.333 585 HA VAL 56 HA VAL 56 18.587 3.171 1.477 586 HB VAL 56 HB VAL 56 20.697 4.193 1.958 587 1HG1 VAL 56 1HG1 VAL 56 22.126 2.646 0.674 588 2HG1 VAL 56 2HG1 VAL 56 21.534 3.340 -0.829 589 3HG1 VAL 56 3HG1 VAL 56 22.486 4.319 0.280 590 1HG2 VAL 56 3HG2 VAL 56 19.014 5.565 0.761 591 2HG2 VAL 56 1HG2 VAL 56 20.650 6.058 0.341 592 3HG2 VAL 56 2HG2 VAL 56 19.712 5.077 -0.781 593 QG1 VAL 56 QG1 VAL 56 22.049 3.435 0.042 594 QG2 VAL 56 QG2 VAL 56 19.792 5.567 0.107 595 QQG VAL 56 QQG VAL 56 20.920 4.501 0.075 596 H GLU 57 HN GLU 57 17.019 2.941 0.040 597 HA GLU 57 HA GLU 57 17.734 2.283 -2.799 598 1HB GLU 57 2HB GLU 57 15.526 1.373 -0.982 599 2HB GLU 57 3HB GLU 57 15.181 1.481 -2.696 600 1HG GLU 57 2HG GLU 57 17.080 -0.022 -3.193 601 2HG GLU 57 3HG GLU 57 17.461 -0.126 -1.475 602 QB GLU 57 QB GLU 57 15.353 1.427 -1.839 603 QG GLU 57 QG GLU 57 17.271 -0.074 -2.334 604 H THR 58 HN THR 58 15.614 2.720 -4.154 605 HA THR 58 HA THR 58 15.169 5.648 -4.059 606 HB THR 58 HB THR 58 15.910 4.644 -6.218 607 HG1 THR 58 1HG THR 58 14.495 5.827 -7.282 608 1HG2 THR 58 3HG2 THR 58 13.306 3.041 -6.064 609 2HG2 THR 58 1HG2 THR 58 14.394 3.097 -7.441 610 3HG2 THR 58 2HG2 THR 58 14.918 2.351 -5.938 611 QG2 THR 58 QG2 THR 58 14.206 2.830 -6.481 612 H VAL 59 HN VAL 59 12.600 4.883 -5.653 613 HA VAL 59 HA VAL 59 10.869 4.184 -3.311 614 HB VAL 59 HB VAL 59 9.168 5.786 -4.421 615 1HG1 VAL 59 3HG1 VAL 59 11.771 6.938 -3.350 616 2HG1 VAL 59 1HG1 VAL 59 10.223 7.771 -3.386 617 3HG1 VAL 59 2HG1 VAL 59 10.435 6.359 -2.360 618 1HG2 VAL 59 1HG2 VAL 59 10.348 5.933 -6.613 619 2HG2 VAL 59 2HG2 VAL 59 10.094 7.519 -5.888 620 3HG2 VAL 59 3HG2 VAL 59 11.681 6.760 -5.812 621 QG1 VAL 59 QG1 VAL 59 10.810 7.023 -3.032 622 QG2 VAL 59 QG2 VAL 59 10.708 6.737 -6.105 623 QQG VAL 59 QQG VAL 59 10.759 6.880 -4.568 624 HA PRO 60 HA PRO 60 8.642 4.329 -3.284 625 1HB PRO 60 2HB PRO 60 6.278 3.025 -3.288 626 2HB PRO 60 3HB PRO 60 6.642 4.239 -4.519 627 1HG PRO 60 2HG PRO 60 6.576 1.257 -4.788 628 2HG PRO 60 3HG PRO 60 6.233 2.497 -5.998 629 1HD PRO 60 2HD PRO 60 8.708 1.063 -5.627 630 2HD PRO 60 3HD PRO 60 8.404 2.387 -6.767 631 QB PRO 60 QB PRO 60 6.460 3.632 -3.904 632 QG PRO 60 QG PRO 60 6.405 1.877 -5.393 633 QD PRO 60 QD PRO 60 8.556 1.725 -6.197 634 H GLN 61 HN GLN 61 7.996 3.602 -1.113 635 HA GLN 61 HA GLN 61 8.819 0.762 -0.547 636 1HB GLN 61 2HB GLN 61 8.938 2.995 1.497 637 2HB GLN 61 3HB GLN 61 9.785 1.454 1.495 638 1HG GLN 61 2HG GLN 61 10.937 2.307 -0.679 639 2HG GLN 61 3HG GLN 61 10.320 3.892 -0.227 640 1HE2 GLN 61 2HE2 GLN 61 12.746 2.508 2.734 641 2HE2 GLN 61 1HE2 GLN 61 11.310 1.692 2.374 642 QB GLN 61 QB GLN 61 9.362 2.224 1.496 643 QG GLN 61 QG GLN 61 10.629 3.099 -0.453 644 QE2 GLN 61 QE2 GLN 61 12.028 2.100 2.554 645 H ILE 62 HN ILE 62 7.000 -0.383 -0.175 646 HA ILE 62 HA ILE 62 4.682 0.998 1.093 647 HB ILE 62 HB ILE 62 4.874 -1.631 -0.427 648 1HG1 ILE 62 2HG1 ILE 62 3.680 1.097 -1.054 649 2HG1 ILE 62 3HG1 ILE 62 5.125 0.410 -1.779 650 1HG2 ILE 62 2HG2 ILE 62 3.104 -1.700 1.350 651 2HG2 ILE 62 3HG2 ILE 62 2.410 -0.219 0.698 652 3HG2 ILE 62 1HG2 ILE 62 2.406 -1.700 -0.258 653 1HD1 ILE 62 1HD1 ILE 62 3.777 -1.418 -2.742 654 2HD1 ILE 62 2HD1 ILE 62 2.322 -0.729 -2.024 655 3HD1 ILE 62 3HD1 ILE 62 3.193 0.156 -3.271 656 QG1 ILE 62 QG1 ILE 62 4.402 0.754 -1.417 657 QG2 ILE 62 QG2 ILE 62 2.640 -1.206 0.597 658 QD1 ILE 62 QD1 ILE 62 3.097 -0.664 -2.679 659 H PHE 63 HN PHE 63 3.707 0.297 2.829 660 HA PHE 63 HA PHE 63 4.926 -1.909 4.465 661 1HB PHE 63 2HB PHE 63 4.332 0.942 5.307 662 2HB PHE 63 3HB PHE 63 4.483 -0.356 6.476 663 HD1 PHE 63 2HD PHE 63 6.414 1.112 3.569 664 HD2 PHE 63 1HD PHE 63 6.540 -0.735 7.409 665 HE1 PHE 63 2HE PHE 63 8.835 1.510 3.692 666 HE2 PHE 63 1HE PHE 63 8.949 -0.317 7.530 667 HZ PHE 63 HZ PHE 63 10.092 0.838 5.694 668 QB PHE 63 QB PHE 63 4.407 0.293 5.891 669 QR PHE 63 QR PHE 63 7.685 0.392 5.550 670 H VAL 64 HN VAL 64 3.467 -2.748 6.063 671 HA VAL 64 HA VAL 64 0.597 -1.967 5.751 672 HB VAL 64 HB VAL 64 1.770 -4.773 5.648 673 1HG1 VAL 64 2HG1 VAL 64 -1.135 -3.932 5.974 674 2HG1 VAL 64 3HG1 VAL 64 -0.584 -5.573 5.654 675 3HG1 VAL 64 1HG1 VAL 64 -0.165 -4.791 7.167 676 1HG2 VAL 64 2HG2 VAL 64 1.607 -3.505 3.500 677 2HG2 VAL 64 3HG2 VAL 64 0.535 -4.898 3.526 678 3HG2 VAL 64 1HG2 VAL 64 -0.116 -3.282 3.785 679 QG1 VAL 64 QG1 VAL 64 -0.628 -4.766 6.265 680 QG2 VAL 64 QG2 VAL 64 0.675 -3.895 3.604 681 QQG VAL 64 QQG VAL 64 0.024 -4.330 4.934 682 H ASP 65 HN ASP 65 -0.195 -1.474 7.699 683 HA ASP 65 HA ASP 65 -0.276 -1.196 10.049 684 1HB ASP 65 2HB ASP 65 0.733 -4.049 10.191 685 2HB ASP 65 3HB ASP 65 -0.326 -3.220 11.318 686 QB ASP 65 QB ASP 65 0.204 -3.635 10.755 687 H GLN 66 HN GLN 66 2.255 -3.485 10.204 688 HA GLN 66 HA GLN 66 4.249 -1.415 10.902 689 1HB GLN 66 2HB GLN 66 3.297 -2.396 12.981 690 2HB GLN 66 3HB GLN 66 3.734 -4.002 12.420 691 1HG GLN 66 2HG GLN 66 6.133 -3.363 12.438 692 2HG GLN 66 3HG GLN 66 5.699 -1.739 12.961 693 1HE2 GLN 66 2HE2 GLN 66 6.200 -4.490 15.757 694 2HE2 GLN 66 1HE2 GLN 66 6.828 -4.593 14.186 695 QB GLN 66 QB GLN 66 3.515 -3.199 12.700 696 QG GLN 66 QG GLN 66 5.916 -2.551 12.700 697 QE2 GLN 66 QE2 GLN 66 6.514 -4.542 14.971 698 H GLN 67 HN GLN 67 3.490 -4.273 9.182 699 HA GLN 67 HA GLN 67 6.231 -5.294 9.067 700 1HB GLN 67 2HB GLN 67 5.167 -6.910 7.436 701 2HB GLN 67 3HB GLN 67 4.431 -6.943 9.025 702 1HG GLN 67 2HG GLN 67 2.582 -5.590 8.253 703 2HG GLN 67 3HG GLN 67 3.376 -5.262 6.724 704 1HE2 GLN 67 2HE2 GLN 67 0.903 -8.314 6.927 705 2HE2 GLN 67 1HE2 GLN 67 0.877 -6.927 7.907 706 QB GLN 67 QB GLN 67 4.799 -6.927 8.230 707 QG GLN 67 QG GLN 67 2.979 -5.426 7.488 708 QE2 GLN 67 QE2 GLN 67 0.890 -7.620 7.417 709 H HIS 68 HN HIS 68 7.251 -5.602 6.975 710 HA HIS 68 HA HIS 68 6.788 -3.257 5.188 711 1HB HIS 68 2HB HIS 68 8.978 -3.203 6.192 712 2HB HIS 68 3HB HIS 68 9.250 -4.891 5.837 713 HD1 HIS 68 HD1 HIS 68 10.463 -5.330 3.782 714 HD2 HIS 68 HD2 HIS 68 8.722 -1.602 3.593 715 HE1 HIS 68 HE1 HIS 68 11.309 -4.251 1.666 716 QB HIS 68 QB HIS 68 9.114 -4.047 6.014 717 H ILE 69 HN ILE 69 6.713 -3.625 2.951 718 HA ILE 69 HA ILE 69 6.408 -6.514 2.192 719 HB ILE 69 HB ILE 69 5.162 -4.253 0.632 720 1HG1 ILE 69 2HG1 ILE 69 4.485 -3.833 2.978 721 2HG1 ILE 69 3HG1 ILE 69 3.132 -4.394 2.016 722 1HG2 ILE 69 3HG2 ILE 69 4.447 -7.150 1.191 723 2HG2 ILE 69 1HG2 ILE 69 3.470 -6.063 0.218 724 3HG2 ILE 69 2HG2 ILE 69 5.088 -6.502 -0.311 725 1HD1 ILE 69 2HD1 ILE 69 4.789 -6.189 3.829 726 2HD1 ILE 69 3HD1 ILE 69 3.224 -5.513 4.247 727 3HD1 ILE 69 1HD1 ILE 69 3.360 -6.657 2.924 728 QG1 ILE 69 QG1 ILE 69 3.809 -4.113 2.497 729 QG2 ILE 69 QG2 ILE 69 4.335 -6.571 0.366 730 QD1 ILE 69 QD1 ILE 69 3.791 -6.120 3.667 731 H GLY 70 HN GLY 70 7.276 -3.339 0.935 732 1HA GLY 70 1HA GLY 70 9.668 -3.345 -0.056 733 2HA GLY 70 2HA GLY 70 9.080 -4.677 -1.048 734 QA GLY 70 QA GLY 70 9.374 -4.011 -0.552 735 H GLY 71 HN GLY 71 8.528 -4.051 -3.043 736 1HA GLY 71 1HA GLY 71 7.561 -1.245 -3.443 737 2HA GLY 71 2HA GLY 71 8.425 -2.184 -4.656 738 QA GLY 71 QA GLY 71 7.993 -1.714 -4.049 739 OH TYR 72 OH TYR 72 0.334 -3.646 -10.864 740 H TYR 72 HN TYR 72 6.566 -1.545 -5.970 741 HA TYR 72 HA TYR 72 3.883 -2.302 -5.581 742 1HB TYR 72 2HB TYR 72 4.554 -0.842 -7.392 743 2HB TYR 72 3HB TYR 72 5.561 -2.088 -8.106 744 HD1 TYR 72 HD2 TYR 72 2.315 -3.235 -6.829 745 HD2 TYR 72 HD1 TYR 72 4.287 -1.562 -10.221 746 HE1 TYR 72 HE2 TYR 72 0.493 -3.986 -8.272 747 HE2 TYR 72 HE1 TYR 72 2.471 -2.360 -11.655 748 HH TYR 72 HH TYR 72 0.463 -4.588 -11.029 749 QB TYR 72 QB TYR 72 5.058 -1.465 -7.749 750 QR TYR 72 QR TYR 72 2.392 -2.786 -9.244 751 H THR 73 HN THR 73 6.365 -4.123 -7.371 752 HA THR 73 HA THR 73 4.952 -6.417 -8.067 753 HB THR 73 HB THR 73 7.395 -7.504 -7.543 754 HG1 THR 73 1HG THR 73 8.237 -5.889 -6.286 755 1HG2 THR 73 2HG2 THR 73 7.075 -5.158 -9.478 756 2HG2 THR 73 3HG2 THR 73 8.274 -6.440 -9.594 757 3HG2 THR 73 1HG2 THR 73 6.570 -6.803 -9.855 758 QG2 THR 73 QG2 THR 73 7.306 -6.133 -9.642 759 H ASP 74 HN ASP 74 6.750 -5.861 -5.145 760 HA ASP 74 HA ASP 74 6.140 -8.290 -3.799 761 1HB ASP 74 2HB ASP 74 6.643 -5.635 -2.427 762 2HB ASP 74 3HB ASP 74 7.110 -7.246 -1.885 763 QB ASP 74 QB ASP 74 6.877 -6.440 -2.156 764 H PHE 75 HN PHE 75 4.709 -5.036 -3.444 765 HA PHE 75 HA PHE 75 2.698 -5.663 -1.621 766 1HB PHE 75 2HB PHE 75 3.068 -3.375 -2.532 767 2HB PHE 75 3HB PHE 75 2.374 -3.877 -4.068 768 HD1 PHE 75 2HD PHE 75 1.409 -4.291 -0.446 769 HD2 PHE 75 1HD PHE 75 0.177 -3.085 -4.345 770 HE1 PHE 75 2HE PHE 75 -0.854 -3.860 0.402 771 HE2 PHE 75 1HE PHE 75 -2.069 -2.605 -3.484 772 HZ PHE 75 HZ PHE 75 -2.599 -3.010 -1.120 773 QB PHE 75 QB PHE 75 2.721 -3.626 -3.300 774 QR PHE 75 QR PHE 75 -0.334 -3.460 -1.968 775 H ALA 76 HN ALA 76 2.444 -5.986 -5.171 776 HA ALA 76 HA ALA 76 -0.206 -7.038 -5.230 777 1HB ALA 76 1HB ALA 76 1.046 -6.440 -7.284 778 2HB ALA 76 2HB ALA 76 2.122 -7.808 -7.034 779 3HB ALA 76 3HB ALA 76 0.419 -8.082 -7.389 780 QB ALA 76 QB ALA 76 1.195 -7.443 -7.236 781 H ALA 77 HN ALA 77 2.857 -8.866 -5.226 782 HA ALA 77 HA ALA 77 1.714 -11.454 -4.924 783 1HB ALA 77 2HB ALA 77 4.130 -11.057 -5.419 784 2HB ALA 77 3HB ALA 77 4.355 -10.414 -3.797 785 3HB ALA 77 1HB ALA 77 3.935 -12.112 -4.022 786 QB ALA 77 QB ALA 77 4.140 -11.194 -4.412 787 CH2 TRP 78 CH2 TRP 78 -1.145 -6.947 3.587 788 H TRP 78 HN TRP 78 2.961 -9.303 -2.365 789 HA TRP 78 HA TRP 78 2.311 -10.869 -0.120 790 1HB TRP 78 2HB TRP 78 3.514 -8.720 0.014 791 2HB TRP 78 3HB TRP 78 2.075 -7.873 -0.447 792 HD1 TRP 78 HD1 TRP 78 3.639 -9.593 2.648 793 HE1 TRP 78 HE1 TRP 78 2.339 -8.930 4.699 794 HE3 TRP 78 HE3 TRP 78 -0.074 -7.172 0.372 795 HZ2 TRP 78 HZ2 TRP 78 -0.110 -7.700 5.300 796 HZ3 TRP 78 HZ3 TRP 78 -1.933 -6.264 1.725 797 HH2 TRP 78 HH2 TRP 78 -1.966 -6.544 4.162 798 QB TRP 78 QB TRP 78 2.795 -8.296 -0.216 799 H VAL 79 HN VAL 79 0.314 -8.411 -1.695 800 HA VAL 79 HA VAL 79 -2.006 -8.569 -0.176 801 HB VAL 79 HB VAL 79 -1.622 -8.166 -3.164 802 1HG1 VAL 79 3HG1 VAL 79 -3.938 -9.034 -2.788 803 2HG1 VAL 79 1HG1 VAL 79 -4.191 -7.794 -1.567 804 3HG1 VAL 79 2HG1 VAL 79 -3.953 -7.339 -3.248 805 1HG2 VAL 79 1HG2 VAL 79 -0.761 -6.402 -1.637 806 2HG2 VAL 79 2HG2 VAL 79 -2.124 -5.816 -2.577 807 3HG2 VAL 79 3HG2 VAL 79 -2.347 -6.277 -0.896 808 QG1 VAL 79 QG1 VAL 79 -4.027 -8.056 -2.534 809 QG2 VAL 79 QG2 VAL 79 -1.744 -6.165 -1.703 810 QQG VAL 79 QQG VAL 79 -2.886 -7.110 -2.119 811 H LYS 80 HN LYS 80 -1.378 -10.458 -3.104 812 HA LYS 80 HA LYS 80 -3.652 -11.987 -3.185 813 1HB LYS 80 2HB LYS 80 -1.373 -11.986 -4.589 814 2HB LYS 80 3HB LYS 80 -1.081 -13.450 -3.670 815 1HG LYS 80 2HG LYS 80 -3.835 -13.391 -4.649 816 2HG LYS 80 3HG LYS 80 -2.716 -13.129 -5.976 817 1HD LYS 80 2HD LYS 80 -3.051 -15.497 -5.843 818 2HD LYS 80 3HD LYS 80 -1.444 -15.181 -5.214 819 1HE LYS 80 2HE LYS 80 -2.612 -16.798 -3.791 820 2HE LYS 80 3HE LYS 80 -2.298 -15.320 -2.909 821 1HZ LYS 80 1HZ LYS 80 -4.828 -15.034 -4.086 822 2HZ LYS 80 2HZ LYS 80 -4.776 -16.566 -3.364 823 3HZ LYS 80 3HZ LYS 80 -4.436 -15.175 -2.461 824 QB LYS 80 QB LYS 80 -1.227 -12.718 -4.130 825 QG LYS 80 QG LYS 80 -3.276 -13.260 -5.312 826 QD LYS 80 QD LYS 80 -2.247 -15.339 -5.528 827 QE LYS 80 QE LYS 80 -2.455 -16.059 -3.350 828 QZ LYS 80 QZ LYS 80 -4.680 -15.592 -3.304 829 H GLU 81 HN GLU 81 -0.877 -12.848 -1.062 830 HA GLU 81 HA GLU 81 -2.578 -15.097 -0.070 831 1HB GLU 81 2HB GLU 81 0.346 -14.417 0.238 832 2HB GLU 81 3HB GLU 81 -0.410 -15.542 1.353 833 1HG GLU 81 2HG GLU 81 0.446 -16.929 -0.378 834 2HG GLU 81 3HG GLU 81 -1.266 -16.804 -0.740 835 QB GLU 81 QB GLU 81 -0.032 -14.980 0.795 836 QG GLU 81 QG GLU 81 -0.410 -16.866 -0.559 837 H ASN 82 HN ASN 82 -2.420 -11.971 0.763 838 HA ASN 82 HA ASN 82 -2.785 -12.579 3.686 839 1HB ASN 82 2HB ASN 82 -1.664 -10.140 2.283 840 2HB ASN 82 3HB ASN 82 -2.235 -10.069 3.949 841 1HD2 ASN 82 2HD2 ASN 82 1.178 -12.126 3.067 842 2HD2 ASN 82 1HD2 ASN 82 0.164 -11.573 1.820 843 QB ASN 82 QB ASN 82 -1.949 -10.104 3.116 844 QD2 ASN 82 QD2 ASN 82 0.671 -11.849 2.443 845 H LEU 83 HN LEU 83 -3.950 -10.698 0.971 846 HA LEU 83 HA LEU 83 -6.435 -10.091 2.516 847 1HB LEU 83 2HB LEU 83 -5.365 -8.684 0.080 848 2HB LEU 83 3HB LEU 83 -6.691 -8.144 1.100 849 HG LEU 83 HG LEU 83 -3.786 -8.407 1.971 850 1HD1 LEU 83 3HD1 LEU 83 -5.534 -5.980 1.453 851 2HD1 LEU 83 1HD1 LEU 83 -3.905 -5.942 2.112 852 3HD1 LEU 83 2HD1 LEU 83 -4.171 -6.506 0.472 853 1HD2 LEU 83 1HD2 LEU 83 -6.221 -7.357 3.469 854 2HD2 LEU 83 2HD2 LEU 83 -5.364 -8.853 3.827 855 3HD2 LEU 83 3HD2 LEU 83 -4.559 -7.307 4.053 856 QB LEU 83 QB LEU 83 -6.028 -8.414 0.590 857 QD1 LEU 83 QD1 LEU 83 -4.537 -6.143 1.346 858 QD2 LEU 83 QD2 LEU 83 -5.382 -7.839 3.783 859 QQD LEU 83 QQD LEU 83 -4.959 -6.991 2.565 860 H ASP 84 HN ASP 84 -6.017 -12.555 1.067 861 HA ASP 84 HA ASP 84 -7.856 -12.210 -1.239 862 1HB ASP 84 2HB ASP 84 -5.640 -13.925 -0.703 863 2HB ASP 84 3HB ASP 84 -7.043 -14.951 -0.894 864 QB ASP 84 QB ASP 84 -6.342 -14.438 -0.798 865 H ALA 85 HN ALA 85 -8.843 -11.831 1.322 866 HA ALA 85 HA ALA 85 -10.941 -13.904 1.428 867 1HB ALA 85 1HB ALA 85 -9.283 -14.498 3.171 868 2HB ALA 85 2HB ALA 85 -9.408 -12.878 3.850 869 3HB ALA 85 3HB ALA 85 -10.793 -13.959 3.901 870 QB ALA 85 QB ALA 85 -9.828 -13.778 3.641 Start of MODEL 16 Raw file had 870 H/Q atoms Start of MODEL 16 1 H MET 1 HN MET 1 -6.856 -3.938 9.169 2 HA MET 1 HA MET 1 -4.804 -3.820 8.195 3 1HB MET 1 2HB MET 1 -5.828 -5.573 6.672 4 2HB MET 1 3HB MET 1 -6.278 -4.280 5.572 5 1HG MET 1 2HG MET 1 -4.161 -5.300 4.884 6 2HG MET 1 3HG MET 1 -3.931 -3.626 5.319 7 1HE MET 1 3HE MET 1 -3.831 -7.146 6.174 8 2HE MET 1 1HE MET 1 -2.332 -7.416 7.049 9 3HE MET 1 2HE MET 1 -3.791 -6.952 7.926 10 QB MET 1 QB MET 1 -6.053 -4.926 6.122 11 QG MET 1 QG MET 1 -4.046 -4.463 5.101 12 QE MET 1 QE MET 1 -3.318 -7.171 7.050 13 H GLN 2 HN GLN 2 -3.605 -2.010 7.742 14 HA GLN 2 HA GLN 2 -4.884 0.151 6.186 15 1HB GLN 2 2HB GLN 2 -3.159 0.120 8.659 16 2HB GLN 2 3HB GLN 2 -3.225 1.540 7.651 17 1HG GLN 2 2HG GLN 2 -5.694 0.171 8.774 18 2HG GLN 2 3HG GLN 2 -4.896 1.514 9.574 19 1HE2 GLN 2 2HE2 GLN 2 -5.899 3.121 6.088 20 2HE2 GLN 2 1HE2 GLN 2 -4.517 2.171 6.323 21 QB GLN 2 QB GLN 2 -3.192 0.830 8.155 22 QG GLN 2 QG GLN 2 -5.295 0.842 9.174 23 QE2 GLN 2 QE2 GLN 2 -5.208 2.646 6.205 24 H THR 3 HN THR 3 -3.831 0.355 4.268 25 HA THR 3 HA THR 3 -0.944 -0.479 4.099 26 HB THR 3 HB THR 3 -2.988 -0.287 1.832 27 HG1 THR 3 1HG THR 3 -3.843 -1.832 2.995 28 1HG2 THR 3 2HG2 THR 3 -0.505 -0.614 1.232 29 2HG2 THR 3 3HG2 THR 3 -0.528 -2.065 2.227 30 3HG2 THR 3 1HG2 THR 3 -1.529 -1.970 0.784 31 QG2 THR 3 QG2 THR 3 -0.854 -1.550 1.414 32 H VAL 4 HN VAL 4 0.549 1.041 3.488 33 HA VAL 4 HA VAL 4 -0.511 3.571 2.301 34 HB VAL 4 HB VAL 4 1.526 3.302 4.528 35 1HG1 VAL 4 1HG1 VAL 4 0.530 5.780 3.057 36 2HG1 VAL 4 2HG1 VAL 4 1.556 5.800 4.484 37 3HG1 VAL 4 3HG1 VAL 4 2.163 5.127 2.977 38 1HG2 VAL 4 1HG2 VAL 4 -1.253 4.545 4.413 39 2HG2 VAL 4 2HG2 VAL 4 -0.829 3.059 5.253 40 3HG2 VAL 4 3HG2 VAL 4 -0.182 4.597 5.810 41 QG1 VAL 4 QG1 VAL 4 1.416 5.569 3.506 42 QG2 VAL 4 QG2 VAL 4 -0.755 4.067 5.159 43 QQG VAL 4 QQG VAL 4 0.331 4.818 4.332 44 H ILE 5 HN ILE 5 0.727 4.651 0.904 45 HA ILE 5 HA ILE 5 3.162 3.250 -0.157 46 HB ILE 5 HB ILE 5 1.403 5.266 -1.627 47 1HG1 ILE 5 2HG1 ILE 5 0.811 3.130 -3.029 48 2HG1 ILE 5 3HG1 ILE 5 1.246 2.253 -1.572 49 1HG2 ILE 5 1HG2 ILE 5 3.566 3.361 -2.575 50 2HG2 ILE 5 2HG2 ILE 5 2.608 4.409 -3.622 51 3HG2 ILE 5 3HG2 ILE 5 3.710 5.111 -2.442 52 1HD1 ILE 5 2HD1 ILE 5 -0.411 3.593 -0.284 53 2HD1 ILE 5 3HD1 ILE 5 -0.835 4.455 -1.756 54 3HD1 ILE 5 1HD1 ILE 5 -1.177 2.732 -1.606 55 QG1 ILE 5 QG1 ILE 5 1.029 2.692 -2.301 56 QG2 ILE 5 QG2 ILE 5 3.295 4.294 -2.880 57 QD1 ILE 5 QD1 ILE 5 -0.808 3.593 -1.215 58 H PHE 6 HN PHE 6 5.024 4.390 0.027 59 HA PHE 6 HA PHE 6 4.815 7.297 0.731 60 1HB PHE 6 2HB PHE 6 6.794 5.194 1.644 61 2HB PHE 6 3HB PHE 6 7.077 6.906 1.873 62 HD1 PHE 6 2HD PHE 6 5.017 4.029 2.896 63 HD2 PHE 6 1HD PHE 6 5.705 8.193 3.481 64 HE1 PHE 6 2HE PHE 6 3.704 3.956 4.961 65 HE2 PHE 6 1HE PHE 6 4.358 8.108 5.533 66 HZ PHE 6 HZ PHE 6 3.391 5.994 6.297 67 QB PHE 6 QB PHE 6 6.935 6.050 1.758 68 QR PHE 6 QR PHE 6 4.696 6.071 4.218 69 H GLY 7 HN GLY 7 5.539 8.573 -0.816 70 1HA GLY 7 1HA GLY 7 7.946 8.984 -1.893 71 2HA GLY 7 2HA GLY 7 7.543 7.527 -2.774 72 QA GLY 7 QA GLY 7 7.744 8.255 -2.334 73 NH1 ARG 8 NH1 ARG 8 7.242 9.724 -9.235 74 NH2 ARG 8 NH2 ARG 8 7.097 11.952 -9.629 75 H ARG 8 HN ARG 8 7.727 8.751 -4.706 76 HA ARG 8 HA ARG 8 5.549 10.730 -5.200 77 1HB ARG 8 2HB ARG 8 6.972 11.374 -7.198 78 2HB ARG 8 3HB ARG 8 7.686 11.723 -5.639 79 1HG ARG 8 2HG ARG 8 9.150 9.828 -5.750 80 2HG ARG 8 3HG ARG 8 8.317 9.147 -7.127 81 1HD ARG 8 2HD ARG 8 9.816 11.794 -7.168 82 2HD ARG 8 3HD ARG 8 10.516 10.267 -7.664 83 HE ARG 8 HE ARG 8 9.689 11.267 -9.725 84 1HH1 ARG 8 2HH1 ARG 8 7.795 8.934 -8.972 85 2HH1 ARG 8 1HH1 ARG 8 6.256 9.603 -9.415 86 1HH2 ARG 8 2HH2 ARG 8 7.532 12.850 -9.653 87 2HH2 ARG 8 1HH2 ARG 8 6.127 11.866 -9.861 88 QB ARG 8 QB ARG 8 7.329 11.549 -6.418 89 QG ARG 8 QG ARG 8 8.734 9.487 -6.438 90 QD ARG 8 QD ARG 8 10.166 11.030 -7.416 91 QH1 ARG 8 QH1 ARG 8 7.026 9.268 -9.193 92 QH2 ARG 8 QH2 ARG 8 6.830 12.358 -9.757 93 H SER 9 HN SER 9 3.846 9.665 -5.974 94 HA SER 9 HA SER 9 4.078 7.282 -7.610 95 1HB SER 9 2HB SER 9 2.197 7.780 -5.957 96 2HB SER 9 3HB SER 9 1.586 8.969 -7.127 97 HG SER 9 HG SER 9 1.490 6.252 -7.211 98 QB SER 9 QB SER 9 1.892 8.374 -6.542 99 H GLY 10 HN GLY 10 1.866 7.851 -9.346 100 1HA GLY 10 1HA GLY 10 1.341 9.063 -11.365 101 2HA GLY 10 2HA GLY 10 2.858 9.949 -11.198 102 QA GLY 10 QA GLY 10 2.100 9.506 -11.282 103 H CYS 11 HN CYS 11 2.822 6.521 -10.788 104 HA CYS 11 HA CYS 11 3.786 6.064 -13.554 105 1HB CYS 11 2HB CYS 11 5.251 5.151 -11.072 106 2HB CYS 11 3HB CYS 11 5.741 4.870 -12.718 107 HG CYS 11 HG CYS 11 6.159 7.487 -11.164 108 QB CYS 11 QB CYS 11 5.496 5.011 -11.895 109 HA PRO 12 HA PRO 12 1.258 2.557 -13.239 110 1HB PRO 12 2HB PRO 12 2.334 0.923 -15.176 111 2HB PRO 12 3HB PRO 12 1.461 2.417 -15.542 112 1HG PRO 12 2HG PRO 12 4.430 1.913 -15.500 113 2HG PRO 12 3HG PRO 12 3.492 2.935 -16.596 114 1HD PRO 12 2HD PRO 12 4.947 3.908 -14.432 115 2HD PRO 12 3HD PRO 12 3.563 4.758 -15.157 116 QB PRO 12 QB PRO 12 1.897 1.670 -15.359 117 QG PRO 12 QG PRO 12 3.961 2.424 -16.048 118 QD PRO 12 QD PRO 12 4.255 4.333 -14.794 119 OH TYR 13 OH TYR 13 7.769 -3.149 -7.037 120 H TYR 13 HN TYR 13 3.540 2.513 -11.399 121 HA TYR 13 HA TYR 13 3.739 -0.435 -10.963 122 1HB TYR 13 2HB TYR 13 5.942 0.527 -11.641 123 2HB TYR 13 3HB TYR 13 5.849 1.671 -10.307 124 HD1 TYR 13 HD2 TYR 13 6.114 -1.969 -11.116 125 HD2 TYR 13 HD1 TYR 13 6.346 0.994 -8.081 126 HE1 TYR 13 HE2 TYR 13 7.108 -3.611 -9.577 127 HE2 TYR 13 HE1 TYR 13 7.372 -0.610 -6.586 128 HH TYR 13 HH TYR 13 7.731 -4.046 -7.403 129 QB TYR 13 QB TYR 13 5.895 1.099 -10.974 130 QR TYR 13 QR TYR 13 6.735 -1.299 -8.840 131 H CYS 14 HN CYS 14 4.307 2.636 -9.164 132 HA CYS 14 HA CYS 14 3.192 1.399 -6.747 133 1HB CYS 14 2HB CYS 14 3.970 4.275 -7.284 134 2HB CYS 14 3HB CYS 14 3.461 3.659 -5.731 135 HG CYS 14 HG CYS 14 6.224 3.206 -7.007 136 QB CYS 14 QB CYS 14 3.716 3.967 -6.508 137 H VAL 15 HN VAL 15 2.024 3.508 -9.327 138 HA VAL 15 HA VAL 15 -0.363 4.384 -8.008 139 HB VAL 15 HB VAL 15 0.192 3.835 -10.954 140 1HG1 VAL 15 2HG1 VAL 15 -2.166 5.256 -9.647 141 2HG1 VAL 15 3HG1 VAL 15 -1.863 5.160 -11.379 142 3HG1 VAL 15 1HG1 VAL 15 -2.245 3.702 -10.473 143 1HG2 VAL 15 1HG2 VAL 15 1.518 5.650 -9.897 144 2HG2 VAL 15 2HG2 VAL 15 0.378 6.288 -11.077 145 3HG2 VAL 15 3HG2 VAL 15 0.029 6.414 -9.354 146 QG1 VAL 15 QG1 VAL 15 -2.091 4.706 -10.500 147 QG2 VAL 15 QG2 VAL 15 0.642 6.118 -10.109 148 QQG VAL 15 QQG VAL 15 -0.725 5.412 -10.304 149 NH1 ARG 16 NH2 ARG 16 -3.506 -2.837 -10.637 150 NH2 ARG 16 NH1 ARG 16 -5.261 -1.565 -11.324 151 H ARG 16 HN ARG 16 0.347 1.591 -10.071 152 HA ARG 16 HA ARG 16 -2.223 0.413 -9.910 153 1HB ARG 16 2HB ARG 16 0.522 -0.790 -10.301 154 2HB ARG 16 3HB ARG 16 -0.942 -1.750 -10.356 155 1HG ARG 16 2HG ARG 16 -0.840 0.733 -12.017 156 2HG ARG 16 3HG ARG 16 0.037 -0.682 -12.581 157 1HD ARG 16 2HD ARG 16 -2.374 -0.461 -13.410 158 2HD ARG 16 3HD ARG 16 -1.973 -2.002 -12.663 159 HE ARG 16 HE ARG 16 -3.377 0.161 -11.117 160 1HH1 ARG 16 2HH2 ARG 16 -2.515 -2.957 -10.506 161 2HH1 ARG 16 1HH2 ARG 16 -4.124 -3.576 -10.365 162 1HH2 ARG 16 1HH1 ARG 16 -5.598 -0.698 -11.702 163 2HH2 ARG 16 2HH1 ARG 16 -5.908 -2.291 -11.094 164 QB ARG 16 QB ARG 16 -0.210 -1.270 -10.328 165 QG ARG 16 QG ARG 16 -0.402 0.025 -12.299 166 QD ARG 16 QD ARG 16 -2.174 -1.231 -13.037 167 QH1 ARG 16 QH2 ARG 16 -3.320 -3.266 -10.436 168 QH2 ARG 16 QH1 ARG 16 -5.753 -1.494 -11.398 169 H ALA 17 HN ALA 17 0.394 0.471 -7.651 170 HA ALA 17 HA ALA 17 -0.703 -1.593 -5.946 171 1HB ALA 17 3HB ALA 17 1.671 -0.783 -5.745 172 2HB ALA 17 1HB ALA 17 1.061 0.752 -5.136 173 3HB ALA 17 2HB ALA 17 0.789 -0.731 -4.225 174 QB ALA 17 QB ALA 17 1.174 -0.254 -5.035 175 H LYS 18 HN LYS 18 -0.820 1.983 -5.947 176 HA LYS 18 HA LYS 18 -2.642 2.337 -3.823 177 1HB LYS 18 2HB LYS 18 -1.721 4.301 -5.110 178 2HB LYS 18 3HB LYS 18 -2.766 3.862 -6.465 179 1HG LYS 18 2HG LYS 18 -4.359 3.977 -4.031 180 2HG LYS 18 3HG LYS 18 -3.421 5.454 -4.168 181 1HD LYS 18 2HD LYS 18 -5.489 5.882 -5.295 182 2HD LYS 18 3HD LYS 18 -4.293 5.659 -6.565 183 1HE LYS 18 2HE LYS 18 -5.025 3.342 -6.880 184 2HE LYS 18 3HE LYS 18 -6.155 3.484 -5.549 185 1HZ LYS 18 1HZ LYS 18 -6.612 5.524 -7.454 186 2HZ LYS 18 2HZ LYS 18 -6.589 3.992 -8.219 187 3HZ LYS 18 3HZ LYS 18 -7.666 4.309 -6.916 188 QB LYS 18 QB LYS 18 -2.244 4.082 -5.788 189 QG LYS 18 QG LYS 18 -3.890 4.715 -4.100 190 QD LYS 18 QD LYS 18 -4.891 5.771 -5.930 191 QE LYS 18 QE LYS 18 -5.590 3.413 -6.214 192 QZ LYS 18 QZ LYS 18 -6.956 4.608 -7.530 193 H ASP 19 HN ASP 19 -3.293 1.580 -7.230 194 HA ASP 19 HA ASP 19 -6.116 1.357 -7.017 195 1HB ASP 19 2HB ASP 19 -4.220 -0.228 -8.787 196 2HB ASP 19 3HB ASP 19 -5.955 -0.179 -8.991 197 QB ASP 19 QB ASP 19 -5.087 -0.203 -8.889 198 H LEU 20 HN LEU 20 -3.823 -1.386 -6.992 199 HA LEU 20 HA LEU 20 -5.598 -3.379 -6.217 200 1HB LEU 20 2HB LEU 20 -3.231 -3.786 -6.754 201 2HB LEU 20 3HB LEU 20 -2.739 -2.987 -5.274 202 HG LEU 20 HG LEU 20 -3.911 -4.734 -3.940 203 1HD1 LEU 20 2HD1 LEU 20 -4.450 -5.991 -6.664 204 2HD1 LEU 20 3HD1 LEU 20 -4.752 -6.763 -5.110 205 3HD1 LEU 20 1HD1 LEU 20 -5.669 -5.336 -5.571 206 1HD2 LEU 20 3HD2 LEU 20 -2.009 -5.835 -6.042 207 2HD2 LEU 20 1HD2 LEU 20 -1.531 -5.058 -4.538 208 3HD2 LEU 20 2HD2 LEU 20 -2.373 -6.603 -4.498 209 QB LEU 20 QB LEU 20 -2.985 -3.387 -6.014 210 QD1 LEU 20 QD1 LEU 20 -4.957 -6.030 -5.782 211 QD2 LEU 20 QD2 LEU 20 -1.971 -5.832 -5.026 212 QQD LEU 20 QQD LEU 20 -3.464 -5.931 -5.404 213 H ALA 21 HN ALA 21 -3.835 -1.186 -4.071 214 HA ALA 21 HA ALA 21 -4.884 -2.202 -1.616 215 1HB ALA 21 2HB ALA 21 -2.901 -0.696 -1.758 216 2HB ALA 21 3HB ALA 21 -3.954 0.616 -2.271 217 3HB ALA 21 1HB ALA 21 -4.115 -0.057 -0.655 218 QB ALA 21 QB ALA 21 -3.657 -0.046 -1.561 219 H GLU 22 HN GLU 22 -5.919 0.468 -3.691 220 HA GLU 22 HA GLU 22 -8.178 1.288 -2.163 221 1HB GLU 22 2HB GLU 22 -7.087 2.511 -4.057 222 2HB GLU 22 3HB GLU 22 -7.748 1.333 -5.170 223 1HG GLU 22 2HG GLU 22 -9.992 2.046 -4.768 224 2HG GLU 22 3HG GLU 22 -9.517 2.981 -3.350 225 QB GLU 22 QB GLU 22 -7.418 1.922 -4.614 226 QG GLU 22 QG GLU 22 -9.755 2.514 -4.059 227 H LYS 23 HN LYS 23 -7.720 -1.140 -4.622 228 HA LYS 23 HA LYS 23 -10.410 -1.960 -4.999 229 1HB LYS 23 2HB LYS 23 -8.585 -2.770 -6.471 230 2HB LYS 23 3HB LYS 23 -7.845 -3.614 -5.125 231 1HG LYS 23 2HG LYS 23 -10.256 -4.758 -4.951 232 2HG LYS 23 3HG LYS 23 -10.330 -4.298 -6.642 233 1HD LYS 23 2HD LYS 23 -8.368 -5.573 -7.188 234 2HD LYS 23 3HD LYS 23 -7.947 -5.790 -5.493 235 1HE LYS 23 2HE LYS 23 -10.428 -6.925 -6.834 236 2HE LYS 23 3HE LYS 23 -8.971 -7.840 -6.455 237 1HZ LYS 23 3HZ LYS 23 -9.822 -6.516 -4.125 238 2HZ LYS 23 1HZ LYS 23 -11.162 -7.277 -4.798 239 3HZ LYS 23 2HZ LYS 23 -9.777 -8.191 -4.427 240 QB LYS 23 QB LYS 23 -8.215 -3.192 -5.798 241 QG LYS 23 QG LYS 23 -10.293 -4.528 -5.796 242 QD LYS 23 QD LYS 23 -8.157 -5.681 -6.341 243 QE LYS 23 QE LYS 23 -9.699 -7.383 -6.644 244 QZ LYS 23 QZ LYS 23 -10.254 -7.328 -4.450 245 H LEU 24 HN LEU 24 -7.891 -3.534 -3.076 246 HA LEU 24 HA LEU 24 -9.455 -5.290 -1.558 247 1HB LEU 24 2HB LEU 24 -7.093 -3.661 -0.541 248 2HB LEU 24 3HB LEU 24 -7.672 -5.185 0.127 249 HG LEU 24 HG LEU 24 -6.793 -4.941 -2.771 250 1HD1 LEU 24 3HD1 LEU 24 -5.167 -5.808 -0.371 251 2HD1 LEU 24 1HD1 LEU 24 -4.646 -5.920 -2.047 252 3HD1 LEU 24 2HD1 LEU 24 -4.894 -4.343 -1.306 253 1HD2 LEU 24 1HD2 LEU 24 -7.132 -7.301 -0.895 254 2HD2 LEU 24 2HD2 LEU 24 -8.214 -6.879 -2.209 255 3HD2 LEU 24 3HD2 LEU 24 -6.576 -7.402 -2.557 256 QB LEU 24 QB LEU 24 -7.383 -4.423 -0.207 257 QD1 LEU 24 QD1 LEU 24 -4.902 -5.357 -1.241 258 QD2 LEU 24 QD2 LEU 24 -7.307 -7.194 -1.887 259 QQD LEU 24 QQD LEU 24 -6.105 -6.276 -1.564 260 H SER 25 HN SER 25 -8.657 -1.932 -0.934 261 HA SER 25 HA SER 25 -10.117 -1.520 1.394 262 1HB SER 25 2HB SER 25 -8.619 0.146 -0.003 263 2HB SER 25 3HB SER 25 -10.158 0.592 -0.761 264 HG SER 25 HG SER 25 -10.396 0.316 1.954 265 QB SER 25 QB SER 25 -9.389 0.369 -0.382 266 H ASN 26 HN ASN 26 -11.282 -1.362 -1.941 267 HA ASN 26 HA ASN 26 -14.034 -0.828 -1.119 268 1HB ASN 26 2HB ASN 26 -13.083 -0.137 -3.343 269 2HB ASN 26 3HB ASN 26 -12.977 -1.836 -3.790 270 1HD2 ASN 26 2HD2 ASN 26 -16.402 -2.074 -4.590 271 2HD2 ASN 26 1HD2 ASN 26 -14.913 -2.869 -4.494 272 QB ASN 26 QB ASN 26 -13.030 -0.986 -3.567 273 QD2 ASN 26 QD2 ASN 26 -15.658 -2.472 -4.542 274 H GLU 27 HN GLU 27 -12.149 -3.570 -0.912 275 HA GLU 27 HA GLU 27 -14.272 -5.506 -1.591 276 1HB GLU 27 2HB GLU 27 -11.582 -6.029 -0.289 277 2HB GLU 27 3HB GLU 27 -12.679 -7.243 -0.930 278 1HG GLU 27 2HG GLU 27 -11.337 -5.084 -2.562 279 2HG GLU 27 3HG GLU 27 -10.846 -6.761 -2.509 280 QB GLU 27 QB GLU 27 -12.130 -6.636 -0.609 281 QG GLU 27 QG GLU 27 -11.092 -5.922 -2.536 282 NH1 ARG 28 NH2 ARG 28 -10.111 -9.374 1.977 283 NH2 ARG 28 NH1 ARG 28 -10.360 -8.499 -0.121 284 H ARG 28 HN ARG 28 -12.497 -4.618 1.415 285 HA ARG 28 HA ARG 28 -14.928 -5.556 2.886 286 1HB ARG 28 2HB ARG 28 -13.625 -6.797 4.540 287 2HB ARG 28 3HB ARG 28 -13.371 -7.458 2.942 288 1HG ARG 28 2HG ARG 28 -11.468 -5.458 4.228 289 2HG ARG 28 3HG ARG 28 -11.285 -7.190 4.407 290 1HD ARG 28 2HD ARG 28 -11.024 -5.555 1.878 291 2HD ARG 28 3HD ARG 28 -9.850 -6.636 2.611 292 HE ARG 28 HE ARG 28 -12.394 -7.671 1.402 293 1HH1 ARG 28 2HH2 ARG 28 -10.359 -9.329 2.950 294 2HH1 ARG 28 1HH2 ARG 28 -9.477 -10.088 1.649 295 1HH2 ARG 28 2HH1 ARG 28 -10.783 -7.819 -0.718 296 2HH2 ARG 28 1HH1 ARG 28 -9.731 -9.171 -0.524 297 QB ARG 28 QB ARG 28 -13.498 -7.128 3.741 298 QG ARG 28 QG ARG 28 -11.376 -6.324 4.317 299 QD ARG 28 QD ARG 28 -10.437 -6.096 2.245 300 QH1 ARG 28 QH2 ARG 28 -9.918 -9.709 2.300 301 QH2 ARG 28 QH1 ARG 28 -10.257 -8.495 -0.621 302 H ASP 29 HN ASP 29 -15.227 -4.821 5.007 303 HA ASP 29 HA ASP 29 -14.434 -2.079 5.447 304 1HB ASP 29 2HB ASP 29 -15.776 -3.991 7.400 305 2HB ASP 29 3HB ASP 29 -15.820 -2.234 7.441 306 QB ASP 29 QB ASP 29 -15.798 -3.112 7.421 307 H ASP 30 HN ASP 30 -12.249 -4.008 5.468 308 HA ASP 30 HA ASP 30 -11.141 -3.433 8.188 309 1HB ASP 30 2HB ASP 30 -11.241 -5.767 8.286 310 2HB ASP 30 3HB ASP 30 -11.092 -5.958 6.546 311 QB ASP 30 QB ASP 30 -11.166 -5.863 7.416 312 H PHE 31 HN PHE 31 -10.807 -3.378 4.782 313 HA PHE 31 HA PHE 31 -7.930 -2.713 4.999 314 1HB PHE 31 2HB PHE 31 -8.730 -4.547 3.452 315 2HB PHE 31 3HB PHE 31 -9.497 -3.293 2.482 316 HD1 PHE 31 1HD PHE 31 -7.972 -1.337 1.666 317 HD2 PHE 31 2HD PHE 31 -6.434 -4.983 3.199 318 HE1 PHE 31 1HE PHE 31 -5.815 -0.855 0.644 319 HE2 PHE 31 2HE PHE 31 -4.294 -4.549 2.091 320 HZ PHE 31 HZ PHE 31 -3.978 -2.481 0.801 321 QB PHE 31 QB PHE 31 -9.113 -3.920 2.967 322 QR PHE 31 QR PHE 31 -6.129 -2.931 1.900 323 H GLN 32 HN GLN 32 -7.328 -0.782 4.967 324 HA GLN 32 HA GLN 32 -8.650 1.261 3.232 325 1HB GLN 32 2HB GLN 32 -9.209 1.686 5.645 326 2HB GLN 32 3HB GLN 32 -7.504 1.673 5.967 327 1HG GLN 32 2HG GLN 32 -8.425 3.987 5.798 328 2HG GLN 32 3HG GLN 32 -7.103 3.669 4.689 329 1HE2 GLN 32 2HE2 GLN 32 -9.077 4.670 1.971 330 2HE2 GLN 32 1HE2 GLN 32 -7.563 4.719 2.748 331 QB GLN 32 QB GLN 32 -8.356 1.679 5.806 332 QG GLN 32 QG GLN 32 -7.764 3.828 5.244 333 QE2 GLN 32 QE2 GLN 32 -8.320 4.694 2.360 334 OH TYR 33 OH TYR 33 -7.167 5.962 -2.493 335 H TYR 33 HN TYR 33 -7.090 2.915 2.672 336 HA TYR 33 HA TYR 33 -4.270 2.169 3.047 337 1HB TYR 33 2HB TYR 33 -3.705 2.034 0.745 338 2HB TYR 33 3HB TYR 33 -5.228 1.159 0.834 339 HD1 TYR 33 HD1 TYR 33 -7.329 2.216 0.046 340 HD2 TYR 33 HD2 TYR 33 -3.578 4.192 -0.391 341 HE1 TYR 33 HE1 TYR 33 -8.375 3.890 -1.401 342 HE2 TYR 33 HE2 TYR 33 -4.631 5.869 -1.843 343 HH TYR 33 HH TYR 33 -7.631 5.516 -3.218 344 QB TYR 33 QB TYR 33 -4.467 1.597 0.790 345 QR TYR 33 QR TYR 33 -5.978 4.042 -0.898 346 H GLN 34 HN GLN 34 -2.822 3.918 2.214 347 HA GLN 34 HA GLN 34 -4.108 6.538 1.817 348 1HB GLN 34 2HB GLN 34 -3.323 5.757 4.421 349 2HB GLN 34 3HB GLN 34 -2.058 6.846 3.867 350 1HG GLN 34 2HG GLN 34 -4.206 8.259 3.031 351 2HG GLN 34 3HG GLN 34 -4.959 7.398 4.366 352 1HE2 GLN 34 2HE2 GLN 34 -3.551 9.692 6.643 353 2HE2 GLN 34 1HE2 GLN 34 -4.875 8.721 6.216 354 QB GLN 34 QB GLN 34 -2.690 6.301 4.144 355 QG GLN 34 QG GLN 34 -4.582 7.829 3.699 356 QE2 GLN 34 QE2 GLN 34 -4.213 9.207 6.430 357 OH TYR 35 OH TYR 35 3.069 10.174 -4.476 358 H TYR 35 HN TYR 35 -2.651 8.138 1.053 359 HA TYR 35 HA TYR 35 -0.082 6.985 0.030 360 1HB TYR 35 2HB TYR 35 -1.688 7.340 -1.793 361 2HB TYR 35 3HB TYR 35 -1.969 8.995 -1.264 362 HD1 TYR 35 HD2 TYR 35 1.440 7.578 -1.177 363 HD2 TYR 35 HD1 TYR 35 -1.322 9.860 -3.471 364 HE1 TYR 35 HE2 TYR 35 3.284 8.444 -2.525 365 HE2 TYR 35 HE1 TYR 35 0.532 10.720 -4.824 366 HH TYR 35 HH TYR 35 3.808 10.283 -3.847 367 QB TYR 35 QB TYR 35 -1.829 8.167 -1.528 368 QR TYR 35 QR TYR 35 0.984 9.151 -2.999 369 H VAL 36 HN VAL 36 1.680 7.991 0.820 370 HA VAL 36 HA VAL 36 1.339 10.807 1.792 371 HB VAL 36 HB VAL 36 3.035 8.647 3.102 372 1HG1 VAL 36 1HG1 VAL 36 2.106 11.391 4.014 373 2HG1 VAL 36 2HG1 VAL 36 2.975 10.238 5.012 374 3HG1 VAL 36 3HG1 VAL 36 3.760 10.938 3.602 375 1HG2 VAL 36 2HG2 VAL 36 0.265 9.659 3.872 376 2HG2 VAL 36 3HG2 VAL 36 0.625 8.061 3.235 377 3HG2 VAL 36 1HG2 VAL 36 1.239 8.531 4.811 378 QG1 VAL 36 QG1 VAL 36 2.947 10.856 4.210 379 QG2 VAL 36 QG2 VAL 36 0.710 8.750 3.972 380 QQG VAL 36 QQG VAL 36 1.828 9.803 4.091 381 H ASP 37 HN ASP 37 3.194 12.140 1.666 382 HA ASP 37 HA ASP 37 5.112 11.252 -0.438 383 1HB ASP 37 2HB ASP 37 4.102 13.257 -1.197 384 2HB ASP 37 3HB ASP 37 4.150 13.997 0.399 385 QB ASP 37 QB ASP 37 4.126 13.627 -0.399 386 H ILE 38 HN ILE 38 7.182 11.391 -0.206 387 HA ILE 38 HA ILE 38 8.354 11.061 2.380 388 HB ILE 38 HB ILE 38 10.507 11.040 0.991 389 1HG1 ILE 38 2HG1 ILE 38 8.511 11.401 -1.295 390 2HG1 ILE 38 3HG1 ILE 38 9.705 12.582 -0.790 391 1HG2 ILE 38 1HG2 ILE 38 8.169 9.281 0.155 392 2HG2 ILE 38 2HG2 ILE 38 9.863 8.896 -0.134 393 3HG2 ILE 38 3HG2 ILE 38 9.250 8.995 1.509 394 1HD1 ILE 38 1HD1 ILE 38 11.515 10.987 -1.336 395 2HD1 ILE 38 2HD1 ILE 38 10.317 9.809 -1.866 396 3HD1 ILE 38 3HD1 ILE 38 10.504 11.321 -2.739 397 QG1 ILE 38 QG1 ILE 38 9.108 11.992 -1.043 398 QG2 ILE 38 QG2 ILE 38 9.094 9.057 0.510 399 QD1 ILE 38 QD1 ILE 38 10.779 10.705 -1.980 400 NH1 ARG 39 NH2 ARG 39 11.864 20.555 -0.019 401 NH2 ARG 39 NH1 ARG 39 9.929 21.766 0.100 402 H ARG 39 HN ARG 39 8.097 13.820 0.193 403 HA ARG 39 HA ARG 39 10.037 15.348 1.843 404 1HB ARG 39 2HB ARG 39 9.899 15.442 -0.729 405 2HB ARG 39 3HB ARG 39 8.434 16.385 -0.513 406 1HG ARG 39 2HG ARG 39 10.733 17.303 1.127 407 2HG ARG 39 3HG ARG 39 10.988 17.435 -0.605 408 1HD ARG 39 2HD ARG 39 9.231 18.956 -0.885 409 2HD ARG 39 3HD ARG 39 8.394 18.421 0.573 410 HE ARG 39 HE ARG 39 10.057 19.640 1.915 411 1HH1 ARG 39 2HH2 ARG 39 12.335 19.692 0.172 412 2HH1 ARG 39 1HH2 ARG 39 12.355 21.302 -0.468 413 1HH2 ARG 39 2HH1 ARG 39 8.972 21.808 0.389 414 2HH2 ARG 39 1HH1 ARG 39 10.345 22.554 -0.360 415 QB ARG 39 QB ARG 39 9.167 15.913 -0.621 416 QG ARG 39 QG ARG 39 10.861 17.369 0.261 417 QD ARG 39 QD ARG 39 8.813 18.689 -0.156 418 QH1 ARG 39 QH2 ARG 39 12.345 20.497 -0.148 419 QH2 ARG 39 QH1 ARG 39 9.659 22.181 0.015 420 H ALA 40 HN ALA 40 6.710 14.772 1.774 421 HA ALA 40 HA ALA 40 5.951 17.364 2.942 422 1HB ALA 40 1HB ALA 40 4.390 14.765 2.665 423 2HB ALA 40 2HB ALA 40 3.708 16.312 3.154 424 3HB ALA 40 3HB ALA 40 4.354 16.109 1.526 425 QB ALA 40 QB ALA 40 4.150 15.729 2.448 426 H GLU 41 HN GLU 41 6.338 14.007 4.020 427 HA GLU 41 HA GLU 41 5.948 14.755 6.829 428 1HB GLU 41 2HB GLU 41 6.765 12.175 5.466 429 2HB GLU 41 3HB GLU 41 6.676 12.327 7.214 430 1HG GLU 41 2HG GLU 41 4.255 13.139 6.860 431 2HG GLU 41 3HG GLU 41 4.420 12.557 5.202 432 QB GLU 41 QB GLU 41 6.721 12.251 6.340 433 QG GLU 41 QG GLU 41 4.338 12.848 6.031 434 H GLY 42 HN GLY 42 8.699 13.769 4.796 435 1HA GLY 42 1HA GLY 42 10.878 14.898 5.211 436 2HA GLY 42 2HA GLY 42 10.524 14.830 6.936 437 QA GLY 42 QA GLY 42 10.701 14.864 6.073 438 H ILE 43 HN ILE 43 10.367 12.454 4.329 439 HA ILE 43 HA ILE 43 11.939 10.562 6.037 440 HB ILE 43 HB ILE 43 10.183 9.906 3.635 441 1HG1 ILE 43 2HG1 ILE 43 9.441 9.568 6.563 442 2HG1 ILE 43 3HG1 ILE 43 8.979 10.995 5.650 443 1HG2 ILE 43 2HG2 ILE 43 11.332 8.233 5.910 444 2HG2 ILE 43 3HG2 ILE 43 10.285 7.629 4.632 445 3HG2 ILE 43 1HG2 ILE 43 11.890 8.221 4.241 446 1HD1 ILE 43 2HD1 ILE 43 8.273 8.141 4.877 447 2HD1 ILE 43 3HD1 ILE 43 7.179 9.286 5.633 448 3HD1 ILE 43 1HD1 ILE 43 7.782 9.595 4.014 449 QG1 ILE 43 QG1 ILE 43 9.210 10.281 6.106 450 QG2 ILE 43 QG2 ILE 43 11.169 8.027 4.928 451 QD1 ILE 43 QD1 ILE 43 7.745 9.007 4.841 452 H THR 44 HN THR 44 13.915 9.865 5.203 453 HA THR 44 HA THR 44 14.637 11.071 2.570 454 HB THR 44 HB THR 44 16.871 11.311 3.414 455 HG1 THR 44 1HG THR 44 17.617 9.720 4.517 456 1HG2 THR 44 1HG2 THR 44 15.248 12.706 4.834 457 2HG2 THR 44 2HG2 THR 44 15.164 11.354 5.960 458 3HG2 THR 44 3HG2 THR 44 16.686 12.199 5.712 459 QG2 THR 44 QG2 THR 44 15.699 12.086 5.502 460 H LYS 45 HN LYS 45 16.442 9.914 1.430 461 HA LYS 45 HA LYS 45 15.579 7.302 0.592 462 1HB LYS 45 2HB LYS 45 16.834 9.009 -0.768 463 2HB LYS 45 3HB LYS 45 18.246 8.745 0.227 464 1HG LYS 45 2HG LYS 45 17.360 6.200 -0.775 465 2HG LYS 45 3HG LYS 45 17.444 7.328 -2.120 466 1HD LYS 45 2HD LYS 45 19.669 6.538 -2.032 467 2HD LYS 45 3HD LYS 45 19.771 8.011 -1.079 468 1HE LYS 45 2HE LYS 45 20.855 6.174 0.136 469 2HE LYS 45 3HE LYS 45 19.414 6.678 1.000 470 1HZ LYS 45 1HZ LYS 45 18.849 4.672 -0.968 471 2HZ LYS 45 2HZ LYS 45 19.997 4.143 0.171 472 3HZ LYS 45 3HZ LYS 45 18.463 4.706 0.704 473 QB LYS 45 QB LYS 45 17.540 8.877 -0.271 474 QG LYS 45 QG LYS 45 17.402 6.764 -1.448 475 QD LYS 45 QD LYS 45 19.720 7.274 -1.555 476 QE LYS 45 QE LYS 45 20.134 6.426 0.568 477 QZ LYS 45 QZ LYS 45 19.103 4.507 -0.031 478 H GLU 46 HN GLU 46 17.483 8.352 3.212 479 HA GLU 46 HA GLU 46 18.845 5.729 3.597 480 1HB GLU 46 2HB GLU 46 18.979 8.255 5.310 481 2HB GLU 46 3HB GLU 46 19.991 6.834 5.482 482 1HG GLU 46 2HG GLU 46 21.223 8.601 4.297 483 2HG GLU 46 3HG GLU 46 20.946 7.242 3.218 484 QB GLU 46 QB GLU 46 19.485 7.545 5.396 485 QG GLU 46 QG GLU 46 21.084 7.922 3.757 486 H ASP 47 HN ASP 47 16.683 8.002 5.268 487 HA ASP 47 HA ASP 47 16.013 6.391 7.506 488 1HB ASP 47 2HB ASP 47 15.460 8.826 7.163 489 2HB ASP 47 3HB ASP 47 14.275 8.348 5.963 490 QB ASP 47 QB ASP 47 14.868 8.587 6.563 491 H LEU 48 HN LEU 48 14.379 6.707 4.331 492 HA LEU 48 HA LEU 48 12.377 4.758 4.777 493 1HB LEU 48 2HB LEU 48 13.424 6.255 2.559 494 2HB LEU 48 3HB LEU 48 13.271 4.594 2.033 495 HG LEU 48 HG LEU 48 11.063 6.057 3.526 496 1HD1 LEU 48 2HD1 LEU 48 11.554 7.289 1.445 497 2HD1 LEU 48 3HD1 LEU 48 11.412 5.791 0.527 498 3HD1 LEU 48 1HD1 LEU 48 9.999 6.467 1.334 499 1HD2 LEU 48 2HD2 LEU 48 10.943 3.561 3.447 500 2HD2 LEU 48 3HD2 LEU 48 9.630 4.304 2.539 501 3HD2 LEU 48 1HD2 LEU 48 11.015 3.628 1.690 502 QB LEU 48 QB LEU 48 13.348 5.424 2.296 503 QD1 LEU 48 QD1 LEU 48 10.988 6.516 1.102 504 QD2 LEU 48 QD2 LEU 48 10.529 3.831 2.558 505 QQD LEU 48 QQD LEU 48 10.759 5.173 1.830 506 H GLN 49 HN GLN 49 15.659 4.365 3.409 507 HA GLN 49 HA GLN 49 15.710 1.590 2.998 508 1HB GLN 49 2HB GLN 49 17.711 2.936 2.539 509 2HB GLN 49 3HB GLN 49 17.889 3.320 4.239 510 1HG GLN 49 2HG GLN 49 17.936 0.648 4.489 511 2HG GLN 49 3HG GLN 49 18.420 0.737 2.809 512 1HE2 GLN 49 2HE2 GLN 49 21.119 2.867 4.962 513 2HE2 GLN 49 1HE2 GLN 49 19.494 3.385 4.928 514 QB GLN 49 QB GLN 49 17.800 3.128 3.389 515 QG GLN 49 QG GLN 49 18.178 0.692 3.649 516 QE2 GLN 49 QE2 GLN 49 20.306 3.126 4.945 517 H GLN 50 HN GLN 50 16.449 3.317 5.995 518 HA GLN 50 HA GLN 50 16.781 1.061 7.665 519 1HB GLN 50 2HB GLN 50 16.535 3.951 7.872 520 2HB GLN 50 3HB GLN 50 15.892 3.155 9.276 521 1HG GLN 50 2HG GLN 50 18.310 3.640 9.557 522 2HG GLN 50 3HG GLN 50 18.056 1.897 9.499 523 1HE2 GLN 50 2HE2 GLN 50 20.151 1.582 6.686 524 2HE2 GLN 50 1HE2 GLN 50 19.585 0.915 8.138 525 QB GLN 50 QB GLN 50 16.213 3.553 8.574 526 QG GLN 50 QG GLN 50 18.183 2.769 9.528 527 QE2 GLN 50 QE2 GLN 50 19.868 1.248 7.412 528 H LYS 51 HN LYS 51 13.948 3.104 7.175 529 HA LYS 51 HA LYS 51 12.153 1.962 9.005 530 1HB LYS 51 2HB LYS 51 11.716 3.155 6.256 531 2HB LYS 51 3HB LYS 51 10.376 2.643 7.262 532 1HG LYS 51 2HG LYS 51 11.032 4.212 9.024 533 2HG LYS 51 3HG LYS 51 12.480 4.660 8.119 534 1HD LYS 51 2HD LYS 51 11.267 5.805 6.476 535 2HD LYS 51 3HD LYS 51 9.802 4.881 6.759 536 1HE LYS 51 2HE LYS 51 9.713 7.288 7.555 537 2HE LYS 51 3HE LYS 51 9.321 6.088 8.783 538 1HZ LYS 51 3HZ LYS 51 12.072 6.450 8.881 539 2HZ LYS 51 1HZ LYS 51 11.418 8.005 8.758 540 3HZ LYS 51 2HZ LYS 51 10.930 6.985 10.026 541 QB LYS 51 QB LYS 51 11.046 2.899 6.759 542 QG LYS 51 QG LYS 51 11.756 4.436 8.571 543 QD LYS 51 QD LYS 51 10.535 5.343 6.618 544 QE LYS 51 QE LYS 51 9.517 6.688 8.169 545 QZ LYS 51 QZ LYS 51 11.473 7.146 9.222 546 H ALA 52 HN ALA 52 12.803 0.987 5.667 547 HA ALA 52 HA ALA 52 11.052 -1.376 6.003 548 1HB ALA 52 1HB ALA 52 12.805 -0.501 3.694 549 2HB ALA 52 2HB ALA 52 11.669 -1.840 3.633 550 3HB ALA 52 3HB ALA 52 11.086 -0.190 3.834 551 QB ALA 52 QB ALA 52 11.853 -0.843 3.720 552 H GLY 53 HN GLY 53 14.432 -0.854 5.084 553 1HA GLY 53 1HA GLY 53 15.980 -2.183 6.743 554 2HA GLY 53 2HA GLY 53 15.140 -3.570 6.038 555 QA GLY 53 QA GLY 53 15.560 -2.876 6.391 556 H LYS 54 HN LYS 54 15.056 -3.440 3.569 557 HA LYS 54 HA LYS 54 17.483 -2.238 2.408 558 1HB LYS 54 2HB LYS 54 16.975 -5.192 2.647 559 2HB LYS 54 3HB LYS 54 17.912 -4.594 1.286 560 1HG LYS 54 2HG LYS 54 18.547 -3.840 4.157 561 2HG LYS 54 3HG LYS 54 19.233 -5.248 3.377 562 1HD LYS 54 2HD LYS 54 20.421 -3.971 1.787 563 2HD LYS 54 3HD LYS 54 19.413 -2.554 2.016 564 1HE LYS 54 2HE LYS 54 21.316 -3.683 4.090 565 2HE LYS 54 3HE LYS 54 21.670 -2.312 3.048 566 1HZ LYS 54 3HZ LYS 54 19.166 -1.916 4.346 567 2HZ LYS 54 1HZ LYS 54 20.366 -2.275 5.487 568 3HZ LYS 54 2HZ LYS 54 20.581 -0.981 4.413 569 QB LYS 54 QB LYS 54 17.444 -4.893 1.966 570 QG LYS 54 QG LYS 54 18.890 -4.544 3.767 571 QD LYS 54 QD LYS 54 19.917 -3.262 1.902 572 QE LYS 54 QE LYS 54 21.493 -2.997 3.569 573 QZ LYS 54 QZ LYS 54 20.038 -1.724 4.749 574 HA PRO 55 HA PRO 55 15.312 -1.623 -1.113 575 1HB PRO 55 2HB PRO 55 13.765 0.630 -0.378 576 2HB PRO 55 3HB PRO 55 13.132 -0.916 -0.956 577 1HG PRO 55 2HG PRO 55 12.892 0.192 1.698 578 2HG PRO 55 3HG PRO 55 12.296 -1.368 1.132 579 1HD PRO 55 2HD PRO 55 14.725 -0.787 2.730 580 2HD PRO 55 3HD PRO 55 13.872 -2.331 2.494 581 QB PRO 55 QB PRO 55 13.449 -0.143 -0.667 582 QG PRO 55 QG PRO 55 12.594 -0.588 1.415 583 QD PRO 55 QD PRO 55 14.298 -1.559 2.612 584 H VAL 56 HN VAL 56 16.180 0.335 -2.138 585 HA VAL 56 HA VAL 56 17.867 1.955 -0.309 586 HB VAL 56 HB VAL 56 19.342 2.020 -2.545 587 1HG1 VAL 56 1HG1 VAL 56 20.072 1.273 -0.286 588 2HG1 VAL 56 2HG1 VAL 56 19.284 -0.277 -0.557 589 3HG1 VAL 56 3HG1 VAL 56 20.674 0.190 -1.536 590 1HG2 VAL 56 2HG2 VAL 56 17.786 0.577 -3.832 591 2HG2 VAL 56 3HG2 VAL 56 19.353 -0.184 -3.614 592 3HG2 VAL 56 1HG2 VAL 56 17.991 -0.692 -2.625 593 QG1 VAL 56 QG1 VAL 56 20.010 0.395 -0.793 594 QG2 VAL 56 QG2 VAL 56 18.377 -0.100 -3.357 595 QQG VAL 56 QQG VAL 56 19.193 0.148 -2.075 596 H GLU 57 HN GLU 57 16.767 2.029 -3.692 597 HA GLU 57 HA GLU 57 15.786 4.816 -3.228 598 1HB GLU 57 2HB GLU 57 17.245 3.704 -5.662 599 2HB GLU 57 3HB GLU 57 16.396 5.239 -5.664 600 1HG GLU 57 2HG GLU 57 18.673 5.790 -5.216 601 2HG GLU 57 3HG GLU 57 17.865 5.900 -3.662 602 QB GLU 57 QB GLU 57 16.821 4.472 -5.663 603 QG GLU 57 QG GLU 57 18.269 5.845 -4.439 604 H THR 58 HN THR 58 14.345 2.302 -3.039 605 HA THR 58 HA THR 58 12.780 2.115 -5.537 606 HB THR 58 HB THR 58 11.622 0.217 -4.227 607 HG1 THR 58 1HG THR 58 11.961 0.865 -2.177 608 1HG2 THR 58 3HG2 THR 58 14.677 0.097 -4.143 609 2HG2 THR 58 1HG2 THR 58 13.579 -1.277 -4.153 610 3HG2 THR 58 2HG2 THR 58 13.736 -0.266 -5.584 611 QG2 THR 58 QG2 THR 58 13.997 -0.482 -4.627 612 H VAL 59 HN VAL 59 12.162 4.435 -5.100 613 HA VAL 59 HA VAL 59 9.801 4.515 -3.288 614 HB VAL 59 HB VAL 59 10.191 7.111 -3.573 615 1HG1 VAL 59 1HG1 VAL 59 11.994 5.315 -1.905 616 2HG1 VAL 59 2HG1 VAL 59 11.701 7.027 -1.601 617 3HG1 VAL 59 3HG1 VAL 59 10.382 5.871 -1.456 618 1HG2 VAL 59 1HG2 VAL 59 12.019 6.800 -5.285 619 2HG2 VAL 59 2HG2 VAL 59 12.545 7.704 -3.871 620 3HG2 VAL 59 3HG2 VAL 59 12.992 6.008 -4.045 621 QG1 VAL 59 QG1 VAL 59 11.359 6.071 -1.654 622 QG2 VAL 59 QG2 VAL 59 12.519 6.837 -4.400 623 QQG VAL 59 QQG VAL 59 11.939 6.454 -3.027 624 HA PRO 60 HA PRO 60 8.072 5.707 -2.960 625 1HB PRO 60 2HB PRO 60 5.454 4.692 -3.664 626 2HB PRO 60 3HB PRO 60 5.870 6.309 -3.112 627 1HG PRO 60 2HG PRO 60 5.060 5.586 -5.719 628 2HG PRO 60 3HG PRO 60 5.756 7.132 -5.252 629 1HD PRO 60 2HD PRO 60 7.016 4.903 -6.732 630 2HD PRO 60 3HD PRO 60 7.546 6.587 -6.607 631 QB PRO 60 QB PRO 60 5.662 5.500 -3.388 632 QG PRO 60 QG PRO 60 5.408 6.359 -5.486 633 QD PRO 60 QD PRO 60 7.281 5.745 -6.670 634 H GLN 61 HN GLN 61 7.527 4.206 -1.390 635 HA GLN 61 HA GLN 61 7.675 1.345 -2.232 636 1HB GLN 61 2HB GLN 61 9.760 2.473 -1.121 637 2HB GLN 61 3HB GLN 61 8.797 2.494 0.342 638 1HG GLN 61 2HG GLN 61 10.233 0.511 0.299 639 2HG GLN 61 3HG GLN 61 8.543 0.044 0.227 640 1HE2 GLN 61 2HE2 GLN 61 9.648 -0.289 -3.563 641 2HE2 GLN 61 1HE2 GLN 61 9.314 1.218 -2.854 642 QB GLN 61 QB GLN 61 9.278 2.484 -0.389 643 QG GLN 61 QG GLN 61 9.388 0.278 0.263 644 QE2 GLN 61 QE2 GLN 61 9.481 0.464 -3.209 645 H ILE 62 HN ILE 62 6.667 -0.123 -0.497 646 HA ILE 62 HA ILE 62 4.387 1.351 0.762 647 HB ILE 62 HB ILE 62 4.464 -1.364 -0.596 648 1HG1 ILE 62 2HG1 ILE 62 2.990 1.242 -1.092 649 2HG1 ILE 62 3HG1 ILE 62 4.262 0.552 -2.089 650 1HG2 ILE 62 1HG2 ILE 62 3.069 -1.499 1.484 651 2HG2 ILE 62 2HG2 ILE 62 2.144 -0.106 0.934 652 3HG2 ILE 62 3HG2 ILE 62 2.085 -1.620 0.033 653 1HD1 ILE 62 3HD1 ILE 62 2.812 -1.413 -2.553 654 2HD1 ILE 62 1HD1 ILE 62 1.516 -0.659 -1.619 655 3HD1 ILE 62 2HD1 ILE 62 2.099 0.104 -3.090 656 QG1 ILE 62 QG1 ILE 62 3.626 0.897 -1.590 657 QG2 ILE 62 QG2 ILE 62 2.432 -1.075 0.817 658 QD1 ILE 62 QD1 ILE 62 2.142 -0.656 -2.421 659 H PHE 63 HN PHE 63 3.629 0.790 2.628 660 HA PHE 63 HA PHE 63 5.088 -1.232 4.266 661 1HB PHE 63 2HB PHE 63 4.256 1.588 5.049 662 2HB PHE 63 3HB PHE 63 4.709 0.359 6.229 663 HD1 PHE 63 2HD PHE 63 6.017 2.093 3.165 664 HD2 PHE 63 1HD PHE 63 6.987 0.041 6.773 665 HE1 PHE 63 2HE PHE 63 8.392 2.605 2.817 666 HE2 PHE 63 1HE PHE 63 9.359 0.569 6.433 667 HZ PHE 63 HZ PHE 63 10.068 1.865 4.467 668 QB PHE 63 QB PHE 63 4.482 0.974 5.639 669 QR PHE 63 QR PHE 63 7.689 1.327 4.797 670 H VAL 64 HN VAL 64 3.740 -2.183 5.878 671 HA VAL 64 HA VAL 64 0.787 -1.790 5.455 672 HB VAL 64 HB VAL 64 2.374 -4.381 5.776 673 1HG1 VAL 64 1HG1 VAL 64 -0.642 -3.979 5.762 674 2HG1 VAL 64 2HG1 VAL 64 0.178 -5.536 5.744 675 3HG1 VAL 64 3HG1 VAL 64 0.310 -4.492 7.154 676 1HG2 VAL 64 2HG2 VAL 64 2.230 -3.442 3.480 677 2HG2 VAL 64 3HG2 VAL 64 1.319 -4.945 3.617 678 3HG2 VAL 64 1HG2 VAL 64 0.476 -3.402 3.616 679 QG1 VAL 64 QG1 VAL 64 -0.051 -4.669 6.220 680 QG2 VAL 64 QG2 VAL 64 1.342 -3.930 3.571 681 QQG VAL 64 QQG VAL 64 0.645 -4.299 4.895 682 H ASP 65 HN ASP 65 -0.190 -1.304 7.356 683 HA ASP 65 HA ASP 65 -0.398 -0.853 9.641 684 1HB ASP 65 2HB ASP 65 0.824 -3.625 9.653 685 2HB ASP 65 3HB ASP 65 0.305 -2.828 11.130 686 QB ASP 65 QB ASP 65 0.564 -3.227 10.392 687 H GLN 66 HN GLN 66 2.552 -2.646 9.995 688 HA GLN 66 HA GLN 66 4.042 -0.141 10.451 689 1HB GLN 66 2HB GLN 66 3.396 -2.161 12.517 690 2HB GLN 66 3HB GLN 66 5.079 -1.649 12.500 691 1HG GLN 66 2HG GLN 66 2.708 0.258 12.552 692 2HG GLN 66 3HG GLN 66 3.638 -0.207 13.971 693 1HE2 GLN 66 2HE2 GLN 66 6.418 1.466 11.697 694 2HE2 GLN 66 1HE2 GLN 66 5.924 -0.151 11.555 695 QB GLN 66 QB GLN 66 4.237 -1.905 12.508 696 QG GLN 66 QG GLN 66 3.173 0.025 13.261 697 QE2 GLN 66 QE2 GLN 66 6.171 0.658 11.626 698 H GLN 67 HN GLN 67 4.069 -2.743 8.655 699 HA GLN 67 HA GLN 67 7.016 -3.084 8.808 700 1HB GLN 67 2HB GLN 67 4.748 -4.984 8.319 701 2HB GLN 67 3HB GLN 67 6.257 -5.290 7.491 702 1HG GLN 67 2HG GLN 67 5.905 -4.961 10.493 703 2HG GLN 67 3HG GLN 67 6.216 -6.477 9.654 704 1HE2 GLN 67 2HE2 GLN 67 9.313 -3.960 10.411 705 2HE2 GLN 67 1HE2 GLN 67 7.725 -3.543 10.862 706 QB GLN 67 QB GLN 67 5.502 -5.137 7.905 707 QG GLN 67 QG GLN 67 6.060 -5.719 10.074 708 QE2 GLN 67 QE2 GLN 67 8.519 -3.752 10.637 709 H HIS 68 HN HIS 68 7.738 -4.091 6.581 710 HA HIS 68 HA HIS 68 6.743 -2.244 4.440 711 1HB HIS 68 2HB HIS 68 8.936 -1.605 5.143 712 2HB HIS 68 3HB HIS 68 9.506 -3.250 5.089 713 HD1 HIS 68 HD1 HIS 68 9.930 -4.227 2.777 714 HD2 HIS 68 HD2 HIS 68 8.785 -0.297 2.597 715 HE1 HIS 68 HE1 HIS 68 10.643 -3.392 0.520 716 QB HIS 68 QB HIS 68 9.221 -2.428 5.116 717 H ILE 69 HN ILE 69 6.436 -3.118 2.407 718 HA ILE 69 HA ILE 69 6.684 -6.119 2.297 719 HB ILE 69 HB ILE 69 4.701 -4.453 0.718 720 1HG1 ILE 69 2HG1 ILE 69 4.202 -4.173 3.114 721 2HG1 ILE 69 3HG1 ILE 69 2.986 -5.167 2.332 722 1HG2 ILE 69 3HG2 ILE 69 4.919 -7.424 1.332 723 2HG2 ILE 69 1HG2 ILE 69 3.590 -6.677 0.458 724 3HG2 ILE 69 2HG2 ILE 69 5.210 -6.661 -0.219 725 1HD1 ILE 69 3HD1 ILE 69 5.309 -6.245 3.971 726 2HD1 ILE 69 1HD1 ILE 69 3.647 -6.104 4.533 727 3HD1 ILE 69 2HD1 ILE 69 4.040 -7.211 3.225 728 QG1 ILE 69 QG1 ILE 69 3.594 -4.670 2.723 729 QG2 ILE 69 QG2 ILE 69 4.573 -6.921 0.524 730 QD1 ILE 69 QD1 ILE 69 4.332 -6.520 3.910 731 H GLY 70 HN GLY 70 6.952 -3.156 0.431 732 1HA GLY 70 1HA GLY 70 9.182 -3.533 -1.016 733 2HA GLY 70 2HA GLY 70 8.095 -4.620 -1.872 734 QA GLY 70 QA GLY 70 8.639 -4.076 -1.444 735 H GLY 71 HN GLY 71 7.803 -3.402 -3.778 736 1HA GLY 71 1HA GLY 71 6.837 -0.595 -3.394 737 2HA GLY 71 2HA GLY 71 7.576 -1.214 -4.859 738 QA GLY 71 QA GLY 71 7.206 -0.904 -4.127 739 OH TYR 72 OH TYR 72 -1.067 -3.901 -9.937 740 H TYR 72 HN TYR 72 6.297 -2.981 -5.987 741 HA TYR 72 HA TYR 72 3.365 -2.795 -5.440 742 1HB TYR 72 2HB TYR 72 3.746 -1.232 -7.272 743 2HB TYR 72 3HB TYR 72 4.656 -2.437 -8.165 744 HD1 TYR 72 HD2 TYR 72 1.487 -3.041 -6.286 745 HD2 TYR 72 HD1 TYR 72 3.286 -2.674 -10.124 746 HE1 TYR 72 HE2 TYR 72 -0.621 -3.721 -7.340 747 HE2 TYR 72 HE1 TYR 72 1.187 -3.354 -11.177 748 HH TYR 72 HH TYR 72 -0.967 -4.787 -10.307 749 QB TYR 72 QB TYR 72 4.201 -1.834 -7.718 750 QR TYR 72 QR TYR 72 1.335 -3.198 -8.732 751 H THR 73 HN THR 73 5.846 -4.420 -7.352 752 HA THR 73 HA THR 73 4.431 -6.751 -8.083 753 HB THR 73 HB THR 73 6.959 -7.732 -7.747 754 HG1 THR 73 1HG THR 73 7.882 -6.119 -6.594 755 1HG2 THR 73 1HG2 THR 73 6.344 -5.438 -9.667 756 2HG2 THR 73 2HG2 THR 73 7.645 -6.608 -9.860 757 3HG2 THR 73 3HG2 THR 73 5.964 -7.122 -9.997 758 QG2 THR 73 QG2 THR 73 6.651 -6.389 -9.841 759 H ASP 74 HN ASP 74 6.373 -6.019 -5.344 760 HA ASP 74 HA ASP 74 6.086 -8.426 -3.851 761 1HB ASP 74 2HB ASP 74 6.422 -5.721 -2.546 762 2HB ASP 74 3HB ASP 74 7.245 -7.238 -2.180 763 QB ASP 74 QB ASP 74 6.833 -6.480 -2.363 764 H PHE 75 HN PHE 75 4.523 -5.269 -3.377 765 HA PHE 75 HA PHE 75 2.654 -5.961 -1.436 766 1HB PHE 75 2HB PHE 75 2.890 -3.667 -2.308 767 2HB PHE 75 3HB PHE 75 2.212 -4.158 -3.849 768 HD1 PHE 75 2HD PHE 75 1.170 -4.781 -0.275 769 HD2 PHE 75 1HD PHE 75 0.074 -3.233 -4.087 770 HE1 PHE 75 2HE PHE 75 -1.082 -4.295 0.567 771 HE2 PHE 75 1HE PHE 75 -2.162 -2.709 -3.232 772 HZ PHE 75 HZ PHE 75 -2.755 -3.269 -0.912 773 QB PHE 75 QB PHE 75 2.551 -3.912 -3.079 774 QR PHE 75 QR PHE 75 -0.500 -3.754 -1.757 775 H ALA 76 HN ALA 76 2.160 -6.296 -4.984 776 HA ALA 76 HA ALA 76 -0.426 -7.483 -4.778 777 1HB ALA 76 2HB ALA 76 1.718 -8.007 -6.875 778 2HB ALA 76 3HB ALA 76 0.013 -8.420 -7.035 779 3HB ALA 76 1HB ALA 76 0.506 -6.731 -6.944 780 QB ALA 76 QB ALA 76 0.746 -7.719 -6.951 781 H ALA 77 HN ALA 77 2.772 -9.058 -5.074 782 HA ALA 77 HA ALA 77 1.929 -11.728 -4.799 783 1HB ALA 77 2HB ALA 77 4.300 -11.065 -5.179 784 2HB ALA 77 3HB ALA 77 4.394 -10.467 -3.527 785 3HB ALA 77 1HB ALA 77 4.163 -12.186 -3.827 786 QB ALA 77 QB ALA 77 4.286 -11.239 -4.178 787 CH2 TRP 78 CH2 TRP 78 -1.401 -7.051 3.735 788 H TRP 78 HN TRP 78 2.805 -9.515 -2.147 789 HA TRP 78 HA TRP 78 2.166 -11.222 0.047 790 1HB TRP 78 2HB TRP 78 3.254 -9.024 0.304 791 2HB TRP 78 3HB TRP 78 1.816 -8.228 -0.243 792 HD1 TRP 78 HD1 TRP 78 3.212 -10.010 2.895 793 HE1 TRP 78 HE1 TRP 78 1.925 -9.239 4.900 794 HE3 TRP 78 HE3 TRP 78 -0.426 -7.545 0.516 795 HZ2 TRP 78 HZ2 TRP 78 -0.358 -7.724 5.472 796 HZ3 TRP 78 HZ3 TRP 78 -2.243 -6.497 1.847 797 HH2 TRP 78 HH2 TRP 78 -2.171 -6.552 4.306 798 QB TRP 78 QB TRP 78 2.535 -8.626 0.030 799 H VAL 79 HN VAL 79 0.109 -8.859 -1.579 800 HA VAL 79 HA VAL 79 -2.267 -9.177 -0.155 801 HB VAL 79 HB VAL 79 -1.706 -8.619 -3.084 802 1HG1 VAL 79 3HG1 VAL 79 -3.979 -9.645 -2.942 803 2HG1 VAL 79 1HG1 VAL 79 -4.417 -8.456 -1.722 804 3HG1 VAL 79 2HG1 VAL 79 -4.047 -7.942 -3.360 805 1HG2 VAL 79 3HG2 VAL 79 -2.674 -6.936 -0.749 806 2HG2 VAL 79 1HG2 VAL 79 -1.060 -6.909 -1.440 807 3HG2 VAL 79 2HG2 VAL 79 -2.423 -6.336 -2.385 808 QG1 VAL 79 QG1 VAL 79 -4.148 -8.681 -2.675 809 QG2 VAL 79 QG2 VAL 79 -2.052 -6.727 -1.525 810 QQG VAL 79 QQG VAL 79 -3.100 -7.704 -2.100 811 H LYS 80 HN LYS 80 -1.242 -11.069 -2.972 812 HA LYS 80 HA LYS 80 -3.420 -12.696 -3.334 813 1HB LYS 80 2HB LYS 80 -1.464 -12.947 -4.750 814 2HB LYS 80 3HB LYS 80 -0.515 -13.563 -3.404 815 1HG LYS 80 2HG LYS 80 -1.291 -15.413 -4.868 816 2HG LYS 80 3HG LYS 80 -1.965 -15.562 -3.253 817 1HD LYS 80 2HD LYS 80 -4.049 -14.327 -4.176 818 2HD LYS 80 3HD LYS 80 -3.361 -14.580 -5.772 819 1HE LYS 80 2HE LYS 80 -4.854 -16.405 -5.423 820 2HE LYS 80 3HE LYS 80 -3.247 -17.075 -5.164 821 1HZ LYS 80 1HZ LYS 80 -4.184 -16.048 -2.708 822 2HZ LYS 80 2HZ LYS 80 -5.417 -16.995 -3.367 823 3HZ LYS 80 3HZ LYS 80 -3.879 -17.660 -3.112 824 QB LYS 80 QB LYS 80 -0.989 -13.255 -4.077 825 QG LYS 80 QG LYS 80 -1.628 -15.488 -4.060 826 QD LYS 80 QD LYS 80 -3.705 -14.454 -4.974 827 QE LYS 80 QE LYS 80 -4.051 -16.740 -5.294 828 QZ LYS 80 QZ LYS 80 -4.493 -16.901 -3.062 829 H GLU 81 HN GLU 81 -1.270 -13.019 -0.547 830 HA GLU 81 HA GLU 81 -2.838 -15.463 0.236 831 1HB GLU 81 2HB GLU 81 -0.917 -16.200 1.474 832 2HB GLU 81 3HB GLU 81 -0.265 -15.589 -0.042 833 1HG GLU 81 2HG GLU 81 0.260 -13.436 1.042 834 2HG GLU 81 3HG GLU 81 -0.423 -14.015 2.554 835 QB GLU 81 QB GLU 81 -0.591 -15.895 0.716 836 QG GLU 81 QG GLU 81 -0.082 -13.725 1.798 837 H ASN 82 HN ASN 82 -1.664 -12.371 1.425 838 HA ASN 82 HA ASN 82 -2.811 -12.826 4.088 839 1HB ASN 82 2HB ASN 82 -1.575 -10.384 2.751 840 2HB ASN 82 3HB ASN 82 -2.160 -10.385 4.411 841 1HD2 ASN 82 2HD2 ASN 82 1.317 -12.344 3.510 842 2HD2 ASN 82 1HD2 ASN 82 0.326 -11.747 2.264 843 QB ASN 82 QB ASN 82 -1.867 -10.385 3.581 844 QD2 ASN 82 QD2 ASN 82 0.822 -12.045 2.887 845 H LEU 83 HN LEU 83 -3.799 -11.510 1.073 846 HA LEU 83 HA LEU 83 -6.313 -10.434 2.308 847 1HB LEU 83 2HB LEU 83 -4.802 -9.689 -0.196 848 2HB LEU 83 3HB LEU 83 -6.496 -9.283 -0.026 849 HG LEU 83 HG LEU 83 -4.770 -7.481 0.656 850 1HD1 LEU 83 1HD1 LEU 83 -6.888 -8.372 2.642 851 2HD1 LEU 83 2HD1 LEU 83 -6.167 -6.775 2.571 852 3HD1 LEU 83 3HD1 LEU 83 -7.152 -7.345 1.235 853 1HD2 LEU 83 1HD2 LEU 83 -3.304 -9.025 1.980 854 2HD2 LEU 83 2HD2 LEU 83 -3.854 -7.629 2.897 855 3HD2 LEU 83 3HD2 LEU 83 -4.611 -9.185 3.151 856 QB LEU 83 QB LEU 83 -5.649 -9.486 -0.111 857 QD1 LEU 83 QD1 LEU 83 -6.736 -7.497 2.149 858 QD2 LEU 83 QD2 LEU 83 -3.923 -8.613 2.676 859 QQD LEU 83 QQD LEU 83 -5.329 -8.055 2.413 860 H ASP 84 HN ASP 84 -4.948 -12.207 -0.370 861 HA ASP 84 HA ASP 84 -5.933 -13.561 -2.027 862 1HB ASP 84 2HB ASP 84 -5.680 -14.781 0.410 863 2HB ASP 84 3HB ASP 84 -7.378 -15.065 0.085 864 QB ASP 84 QB ASP 84 -6.529 -14.923 0.247 865 H ALA 85 HN ALA 85 -7.404 -11.324 -1.980 866 HA ALA 85 HA ALA 85 -9.801 -11.920 -3.270 867 1HB ALA 85 2HB ALA 85 -10.259 -11.279 -0.325 868 2HB ALA 85 3HB ALA 85 -11.517 -11.330 -1.556 869 3HB ALA 85 1HB ALA 85 -10.667 -12.801 -1.104 870 QB ALA 85 QB ALA 85 -10.814 -11.803 -0.995 Start of MODEL 17 Raw file had 870 H/Q atoms Start of MODEL 17 1 H MET 1 HN MET 1 -5.210 -2.759 10.121 2 HA MET 1 HA MET 1 -4.000 -3.678 7.736 3 1HB MET 1 2HB MET 1 -6.423 -4.043 8.777 4 2HB MET 1 3HB MET 1 -6.826 -2.629 7.822 5 1HG MET 1 2HG MET 1 -7.291 -4.620 6.534 6 2HG MET 1 3HG MET 1 -5.967 -3.743 5.801 7 1HE MET 1 2HE MET 1 -6.850 -6.216 8.391 8 2HE MET 1 3HE MET 1 -7.084 -7.359 7.067 9 3HE MET 1 1HE MET 1 -5.759 -7.581 8.212 10 QB MET 1 QB MET 1 -6.624 -3.336 8.299 11 QG MET 1 QG MET 1 -6.629 -4.182 6.168 12 QE MET 1 QE MET 1 -6.564 -7.052 7.890 13 H GLN 2 HN GLN 2 -2.835 -1.194 8.154 14 HA GLN 2 HA GLN 2 -4.159 0.563 6.205 15 1HB GLN 2 2HB GLN 2 -2.816 1.077 8.689 16 2HB GLN 2 3HB GLN 2 -1.897 1.844 7.397 17 1HG GLN 2 2HG GLN 2 -4.906 2.140 7.546 18 2HG GLN 2 3HG GLN 2 -3.829 3.193 8.448 19 1HE2 GLN 2 2HE2 GLN 2 -3.959 3.530 4.365 20 2HE2 GLN 2 1HE2 GLN 2 -4.649 2.169 5.111 21 QB GLN 2 QB GLN 2 -2.357 1.460 8.043 22 QG GLN 2 QG GLN 2 -4.367 2.666 7.997 23 QE2 GLN 2 QE2 GLN 2 -4.304 2.850 4.738 24 H THR 3 HN THR 3 -3.519 0.229 4.296 25 HA THR 3 HA THR 3 -0.775 -0.719 3.697 26 HB THR 3 HB THR 3 -3.126 -0.261 1.775 27 HG1 THR 3 1HG THR 3 -3.963 -1.834 2.918 28 1HG2 THR 3 3HG2 THR 3 -0.834 -0.846 0.777 29 2HG2 THR 3 1HG2 THR 3 -0.838 -2.299 1.769 30 3HG2 THR 3 2HG2 THR 3 -2.052 -2.088 0.509 31 QG2 THR 3 QG2 THR 3 -1.241 -1.744 1.018 32 H VAL 4 HN VAL 4 0.612 0.955 3.703 33 HA VAL 4 HA VAL 4 -0.286 3.574 2.572 34 HB VAL 4 HB VAL 4 2.158 3.021 4.276 35 1HG1 VAL 4 2HG1 VAL 4 0.677 5.571 3.543 36 2HG1 VAL 4 3HG1 VAL 4 2.026 5.480 4.668 37 3HG1 VAL 4 1HG1 VAL 4 2.273 5.096 2.971 38 1HG2 VAL 4 3HG2 VAL 4 -0.590 4.008 5.126 39 2HG2 VAL 4 1HG2 VAL 4 0.098 2.436 5.528 40 3HG2 VAL 4 2HG2 VAL 4 0.823 3.909 6.172 41 QG1 VAL 4 QG1 VAL 4 1.658 5.383 3.727 42 QG2 VAL 4 QG2 VAL 4 0.110 3.451 5.609 43 QQG VAL 4 QQG VAL 4 0.884 4.417 4.668 44 H ILE 5 HN ILE 5 0.704 4.469 0.867 45 HA ILE 5 HA ILE 5 2.914 2.923 -0.448 46 HB ILE 5 HB ILE 5 1.388 5.018 -1.954 47 1HG1 ILE 5 2HG1 ILE 5 -0.468 3.893 -0.809 48 2HG1 ILE 5 3HG1 ILE 5 -0.457 3.513 -2.520 49 1HG2 ILE 5 2HG2 ILE 5 2.410 2.243 -2.640 50 2HG2 ILE 5 3HG2 ILE 5 1.583 3.308 -3.774 51 3HG2 ILE 5 1HG2 ILE 5 3.141 3.777 -3.092 52 1HD1 ILE 5 3HD1 ILE 5 0.666 1.694 -0.346 53 2HD1 ILE 5 1HD1 ILE 5 -0.899 1.493 -1.120 54 3HD1 ILE 5 2HD1 ILE 5 0.574 1.321 -2.061 55 QG1 ILE 5 QG1 ILE 5 -0.463 3.703 -1.665 56 QG2 ILE 5 QG2 ILE 5 2.378 3.109 -3.169 57 QD1 ILE 5 QD1 ILE 5 0.113 1.503 -1.176 58 H PHE 6 HN PHE 6 4.775 3.904 0.281 59 HA PHE 6 HA PHE 6 4.918 6.840 0.535 60 1HB PHE 6 2HB PHE 6 6.980 4.648 0.940 61 2HB PHE 6 3HB PHE 6 7.357 6.353 1.100 62 HD1 PHE 6 2HD PHE 6 5.006 3.744 2.376 63 HD2 PHE 6 1HD PHE 6 6.973 7.437 3.185 64 HE1 PHE 6 2HE PHE 6 4.203 3.669 4.689 65 HE2 PHE 6 1HE PHE 6 6.181 7.347 5.510 66 HZ PHE 6 HZ PHE 6 4.796 5.454 6.265 67 QB PHE 6 QB PHE 6 7.168 5.501 1.020 68 QR PHE 6 QR PHE 6 5.591 5.549 3.940 69 H GLY 7 HN GLY 7 4.609 7.545 -1.521 70 1HA GLY 7 1HA GLY 7 6.791 6.884 -3.468 71 2HA GLY 7 2HA GLY 7 5.115 7.060 -3.998 72 QA GLY 7 QA GLY 7 5.953 6.972 -3.733 73 NH1 ARG 8 NH1 ARG 8 11.476 10.909 -7.917 74 NH2 ARG 8 NH2 ARG 8 10.451 12.935 -8.197 75 H ARG 8 HN ARG 8 7.566 8.652 -4.609 76 HA ARG 8 HA ARG 8 6.563 11.271 -3.583 77 1HB ARG 8 2HB ARG 8 8.896 12.112 -3.974 78 2HB ARG 8 3HB ARG 8 8.769 10.892 -2.726 79 1HG ARG 8 2HG ARG 8 10.174 9.507 -3.824 80 2HG ARG 8 3HG ARG 8 9.208 9.593 -5.289 81 1HD ARG 8 2HD ARG 8 11.131 11.800 -4.470 82 2HD ARG 8 3HD ARG 8 11.590 10.467 -5.526 83 HE ARG 8 HE ARG 8 9.222 12.189 -6.207 84 1HH1 ARG 8 2HH1 ARG 8 11.620 10.095 -7.358 85 2HH1 ARG 8 1HH1 ARG 8 11.926 10.979 -8.807 86 1HH2 ARG 8 2HH2 ARG 8 9.809 13.623 -7.834 87 2HH2 ARG 8 1HH2 ARG 8 10.870 13.073 -9.092 88 QB ARG 8 QB ARG 8 8.832 11.502 -3.350 89 QG ARG 8 QG ARG 8 9.691 9.550 -4.556 90 QD ARG 8 QD ARG 8 11.360 11.133 -4.998 91 QH1 ARG 8 QH1 ARG 8 11.773 10.537 -8.082 92 QH2 ARG 8 QH2 ARG 8 10.339 13.348 -8.463 93 H SER 9 HN SER 9 6.120 12.847 -4.972 94 HA SER 9 HA SER 9 5.573 13.856 -7.035 95 1HB SER 9 2HB SER 9 7.761 12.136 -8.271 96 2HB SER 9 3HB SER 9 7.249 13.767 -8.740 97 HG SER 9 HG SER 9 7.785 13.863 -6.153 98 QB SER 9 QB SER 9 7.505 12.951 -8.505 99 H GLY 10 HN GLY 10 3.895 12.033 -6.335 100 1HA GLY 10 1HA GLY 10 2.890 9.860 -7.073 101 2HA GLY 10 2HA GLY 10 2.032 11.220 -7.767 102 QA GLY 10 QA GLY 10 2.461 10.540 -7.420 103 H CYS 11 HN CYS 11 4.401 8.702 -8.434 104 HA CYS 11 HA CYS 11 3.933 9.158 -11.355 105 1HB CYS 11 2HB CYS 11 6.257 7.910 -9.881 106 2HB CYS 11 3HB CYS 11 6.063 7.766 -11.607 107 HG CYS 11 HG CYS 11 6.608 10.494 -10.225 108 QB CYS 11 QB CYS 11 6.160 7.838 -10.744 109 HA PRO 12 HA PRO 12 1.727 5.493 -11.995 110 1HB PRO 12 2HB PRO 12 3.861 4.546 -13.871 111 2HB PRO 12 3HB PRO 12 2.116 4.688 -14.129 112 1HG PRO 12 2HG PRO 12 3.846 6.515 -15.149 113 2HG PRO 12 3HG PRO 12 2.245 6.996 -14.572 114 1HD PRO 12 2HD PRO 12 4.920 7.413 -13.293 115 2HD PRO 12 3HD PRO 12 3.449 8.399 -13.165 116 QB PRO 12 QB PRO 12 2.989 4.617 -14.000 117 QG PRO 12 QG PRO 12 3.045 6.756 -14.861 118 QD PRO 12 QD PRO 12 4.185 7.906 -13.229 119 OH TYR 13 OH TYR 13 9.262 2.759 -14.601 120 H TYR 13 HN TYR 13 4.922 5.217 -10.830 121 HA TYR 13 HA TYR 13 4.981 2.328 -10.554 122 1HB TYR 13 2HB TYR 13 6.618 4.581 -9.362 123 2HB TYR 13 3HB TYR 13 6.900 2.895 -8.929 124 HD1 TYR 13 HD1 TYR 13 7.382 1.219 -10.788 125 HD2 TYR 13 HD2 TYR 13 7.383 5.421 -11.467 126 HE1 TYR 13 HE1 TYR 13 8.514 0.873 -12.926 127 HE2 TYR 13 HE2 TYR 13 8.539 5.069 -13.603 128 HH TYR 13 HH TYR 13 9.709 1.909 -14.568 129 QB TYR 13 QB TYR 13 6.759 3.738 -9.145 130 QR TYR 13 QR TYR 13 7.955 3.145 -12.196 131 H CYS 14 HN CYS 14 3.407 4.796 -8.796 132 HA CYS 14 HA CYS 14 3.052 2.938 -6.464 133 1HB CYS 14 2HB CYS 14 1.972 5.736 -6.524 134 2HB CYS 14 3HB CYS 14 2.474 4.786 -5.152 135 HG CYS 14 HG CYS 14 4.338 6.524 -6.888 136 QB CYS 14 QB CYS 14 2.223 5.261 -5.838 137 H VAL 15 HN VAL 15 1.490 4.582 -9.056 138 HA VAL 15 HA VAL 15 -1.196 4.564 -8.485 139 HB VAL 15 HB VAL 15 0.274 3.959 -11.056 140 1HG1 VAL 15 1HG1 VAL 15 -2.713 4.411 -10.696 141 2HG1 VAL 15 2HG1 VAL 15 -1.875 4.368 -12.241 142 3HG1 VAL 15 3HG1 VAL 15 -1.962 2.921 -11.251 143 1HG2 VAL 15 3HG2 VAL 15 0.494 6.232 -10.064 144 2HG2 VAL 15 1HG2 VAL 15 -0.426 6.293 -11.565 145 3HG2 VAL 15 2HG2 VAL 15 -1.259 6.383 -10.016 146 QG1 VAL 15 QG1 VAL 15 -2.183 3.900 -11.396 147 QG2 VAL 15 QG2 VAL 15 -0.397 6.303 -10.548 148 QQG VAL 15 QQG VAL 15 -1.290 5.101 -10.972 149 NH1 ARG 16 NH1 ARG 16 -3.715 -2.412 -9.355 150 NH2 ARG 16 NH2 ARG 16 -5.342 -1.891 -10.852 151 H ARG 16 HN ARG 16 0.246 1.722 -10.200 152 HA ARG 16 HA ARG 16 -2.105 0.176 -10.027 153 1HB ARG 16 2HB ARG 16 0.761 -0.502 -10.390 154 2HB ARG 16 3HB ARG 16 -0.270 -1.809 -9.847 155 1HG ARG 16 2HG ARG 16 -1.052 -0.071 -12.194 156 2HG ARG 16 3HG ARG 16 -0.034 -1.487 -12.403 157 1HD ARG 16 2HD ARG 16 -2.284 -2.226 -12.812 158 2HD ARG 16 3HD ARG 16 -1.860 -2.838 -11.220 159 HE ARG 16 HE ARG 16 -3.364 -0.271 -11.375 160 1HH1 ARG 16 2HH1 ARG 16 -2.742 -2.398 -9.099 161 2HH1 ARG 16 1HH1 ARG 16 -4.384 -2.835 -8.742 162 1HH2 ARG 16 2HH2 ARG 16 -5.608 -1.499 -11.731 163 2HH2 ARG 16 1HH2 ARG 16 -6.053 -2.275 -10.243 164 QB ARG 16 QB ARG 16 0.246 -1.155 -10.119 165 QG ARG 16 QG ARG 16 -0.543 -0.779 -12.299 166 QD ARG 16 QD ARG 16 -2.072 -2.532 -12.016 167 QH1 ARG 16 QH1 ARG 16 -3.563 -2.617 -8.921 168 QH2 ARG 16 QH2 ARG 16 -5.830 -1.887 -10.987 169 H ALA 17 HN ALA 17 0.489 0.349 -7.664 170 HA ALA 17 HA ALA 17 -0.610 -1.548 -5.833 171 1HB ALA 17 1HB ALA 17 1.683 -0.574 -5.619 172 2HB ALA 17 2HB ALA 17 0.966 0.969 -5.193 173 3HB ALA 17 3HB ALA 17 0.757 -0.418 -4.133 174 QB ALA 17 QB ALA 17 1.135 -0.008 -4.982 175 H LYS 18 HN LYS 18 -0.865 1.980 -5.945 176 HA LYS 18 HA LYS 18 -2.700 2.437 -3.896 177 1HB LYS 18 2HB LYS 18 -1.687 4.197 -5.426 178 2HB LYS 18 3HB LYS 18 -2.895 3.762 -6.626 179 1HG LYS 18 2HG LYS 18 -4.474 4.083 -4.397 180 2HG LYS 18 3HG LYS 18 -3.194 5.244 -4.071 181 1HD LYS 18 2HD LYS 18 -4.760 6.517 -5.293 182 2HD LYS 18 3HD LYS 18 -3.586 6.060 -6.514 183 1HE LYS 18 2HE LYS 18 -5.797 5.625 -7.425 184 2HE LYS 18 3HE LYS 18 -5.053 4.073 -7.080 185 1HZ LYS 18 3HZ LYS 18 -6.461 4.985 -4.776 186 2HZ LYS 18 1HZ LYS 18 -7.488 5.010 -6.128 187 3HZ LYS 18 2HZ LYS 18 -6.710 3.586 -5.714 188 QB LYS 18 QB LYS 18 -2.291 3.979 -6.026 189 QG LYS 18 QG LYS 18 -3.834 4.664 -4.234 190 QD LYS 18 QD LYS 18 -4.173 6.289 -5.903 191 QE LYS 18 QE LYS 18 -5.425 4.849 -7.252 192 QZ LYS 18 QZ LYS 18 -6.886 4.527 -5.540 193 H ASP 19 HN ASP 19 -3.518 1.765 -7.288 194 HA ASP 19 HA ASP 19 -6.326 1.563 -7.022 195 1HB ASP 19 2HB ASP 19 -5.224 1.530 -9.220 196 2HB ASP 19 3HB ASP 19 -4.483 -0.020 -8.852 197 QB ASP 19 QB ASP 19 -4.854 0.755 -9.036 198 H LEU 20 HN LEU 20 -3.998 -1.144 -6.991 199 HA LEU 20 HA LEU 20 -5.808 -3.172 -6.317 200 1HB LEU 20 2HB LEU 20 -3.454 -3.631 -6.893 201 2HB LEU 20 3HB LEU 20 -2.925 -2.896 -5.391 202 HG LEU 20 HG LEU 20 -4.169 -4.636 -4.113 203 1HD1 LEU 20 1HD1 LEU 20 -4.739 -5.794 -6.874 204 2HD1 LEU 20 2HD1 LEU 20 -5.082 -6.596 -5.346 205 3HD1 LEU 20 3HD1 LEU 20 -5.941 -5.125 -5.775 206 1HD2 LEU 20 2HD2 LEU 20 -2.272 -5.720 -6.227 207 2HD2 LEU 20 3HD2 LEU 20 -1.804 -5.023 -4.680 208 3HD2 LEU 20 1HD2 LEU 20 -2.688 -6.543 -4.727 209 QB LEU 20 QB LEU 20 -3.189 -3.263 -6.142 210 QD1 LEU 20 QD1 LEU 20 -5.254 -5.838 -5.998 211 QD2 LEU 20 QD2 LEU 20 -2.255 -5.762 -5.211 212 QQD LEU 20 QQD LEU 20 -3.754 -5.800 -5.605 213 H ALA 21 HN ALA 21 -3.866 -1.260 -4.039 214 HA ALA 21 HA ALA 21 -4.982 -2.414 -1.668 215 1HB ALA 21 1HB ALA 21 -2.929 -0.991 -1.673 216 2HB ALA 21 2HB ALA 21 -3.913 0.409 -2.084 217 3HB ALA 21 3HB ALA 21 -4.116 -0.394 -0.527 218 QB ALA 21 QB ALA 21 -3.653 -0.325 -1.428 219 H GLU 22 HN GLU 22 -5.893 0.365 -3.604 220 HA GLU 22 HA GLU 22 -8.065 1.280 -2.032 221 1HB GLU 22 2HB GLU 22 -7.050 2.508 -3.945 222 2HB GLU 22 3HB GLU 22 -7.767 1.348 -5.051 223 1HG GLU 22 2HG GLU 22 -10.002 2.025 -4.471 224 2HG GLU 22 3HG GLU 22 -9.429 2.980 -3.105 225 QB GLU 22 QB GLU 22 -7.408 1.928 -4.498 226 QG GLU 22 QG GLU 22 -9.715 2.503 -3.788 227 H LYS 23 HN LYS 23 -8.013 -1.045 -4.717 228 HA LYS 23 HA LYS 23 -10.755 -1.561 -4.832 229 1HB LYS 23 2HB LYS 23 -9.224 -2.591 -6.445 230 2HB LYS 23 3HB LYS 23 -8.468 -3.527 -5.170 231 1HG LYS 23 2HG LYS 23 -9.946 -5.043 -6.227 232 2HG LYS 23 3HG LYS 23 -10.761 -4.585 -4.758 233 1HD LYS 23 2HD LYS 23 -11.303 -3.061 -7.313 234 2HD LYS 23 3HD LYS 23 -12.068 -4.620 -7.064 235 1HE LYS 23 2HE LYS 23 -12.447 -2.086 -5.447 236 2HE LYS 23 3HE LYS 23 -13.649 -3.013 -6.310 237 1HZ LYS 23 1HZ LYS 23 -12.437 -4.694 -4.438 238 2HZ LYS 23 2HZ LYS 23 -12.880 -3.270 -3.641 239 3HZ LYS 23 3HZ LYS 23 -14.047 -4.188 -4.475 240 QB LYS 23 QB LYS 23 -8.846 -3.059 -5.808 241 QG LYS 23 QG LYS 23 -10.354 -4.814 -5.493 242 QD LYS 23 QD LYS 23 -11.686 -3.840 -7.188 243 QE LYS 23 QE LYS 23 -13.048 -2.549 -5.878 244 QZ LYS 23 QZ LYS 23 -13.121 -4.051 -4.185 245 H LEU 24 HN LEU 24 -8.309 -3.317 -2.966 246 HA LEU 24 HA LEU 24 -9.984 -4.987 -1.434 247 1HB LEU 24 2HB LEU 24 -7.548 -3.484 -0.396 248 2HB LEU 24 3HB LEU 24 -8.196 -4.968 0.272 249 HG LEU 24 HG LEU 24 -6.886 -4.589 -2.436 250 1HD1 LEU 24 1HD1 LEU 24 -6.179 -6.249 0.005 251 2HD1 LEU 24 2HD1 LEU 24 -5.277 -6.221 -1.505 252 3HD1 LEU 24 3HD1 LEU 24 -5.370 -4.773 -0.515 253 1HD2 LEU 24 3HD2 LEU 24 -8.192 -7.095 -1.297 254 2HD2 LEU 24 1HD2 LEU 24 -8.799 -6.167 -2.665 255 3HD2 LEU 24 2HD2 LEU 24 -7.265 -7.011 -2.787 256 QB LEU 24 QB LEU 24 -7.872 -4.226 -0.062 257 QD1 LEU 24 QD1 LEU 24 -5.608 -5.748 -0.672 258 QD2 LEU 24 QD2 LEU 24 -8.085 -6.758 -2.250 259 QQD LEU 24 QQD LEU 24 -6.847 -6.253 -1.461 260 H SER 25 HN SER 25 -8.962 -1.676 -0.859 261 HA SER 25 HA SER 25 -10.449 -1.221 1.471 262 1HB SER 25 2HB SER 25 -8.751 0.327 0.134 263 2HB SER 25 3HB SER 25 -10.236 0.965 -0.598 264 HG SER 25 HG SER 25 -10.324 0.538 2.146 265 QB SER 25 QB SER 25 -9.493 0.646 -0.232 266 H ASN 26 HN ASN 26 -11.513 -0.830 -1.858 267 HA ASN 26 HA ASN 26 -14.269 -0.246 -0.936 268 1HB ASN 26 2HB ASN 26 -13.194 1.047 -2.834 269 2HB ASN 26 3HB ASN 26 -13.156 -0.446 -3.755 270 1HD2 ASN 26 2HD2 ASN 26 -17.035 -0.071 -3.242 271 2HD2 ASN 26 1HD2 ASN 26 -15.983 -0.963 -2.260 272 QB ASN 26 QB ASN 26 -13.175 0.300 -3.295 273 QD2 ASN 26 QD2 ASN 26 -16.509 -0.517 -2.751 274 H GLU 27 HN GLU 27 -13.141 -2.600 -0.296 275 HA GLU 27 HA GLU 27 -14.818 -4.610 -1.758 276 1HB GLU 27 2HB GLU 27 -12.160 -4.668 -1.903 277 2HB GLU 27 3HB GLU 27 -12.282 -5.370 -0.311 278 1HG GLU 27 2HG GLU 27 -12.344 -7.285 -1.666 279 2HG GLU 27 3HG GLU 27 -14.067 -6.949 -1.496 280 QB GLU 27 QB GLU 27 -12.221 -5.019 -1.107 281 QG GLU 27 QG GLU 27 -13.205 -7.117 -1.581 282 NH1 ARG 28 NH2 ARG 28 -9.612 -6.791 3.354 283 NH2 ARG 28 NH1 ARG 28 -9.252 -7.079 1.100 284 H ARG 28 HN ARG 28 -12.900 -4.291 1.201 285 HA ARG 28 HA ARG 28 -15.274 -5.038 2.878 286 1HB ARG 28 2HB ARG 28 -12.385 -5.598 3.607 287 2HB ARG 28 3HB ARG 28 -13.802 -6.144 4.461 288 1HG ARG 28 2HG ARG 28 -13.168 -8.078 3.357 289 2HG ARG 28 3HG ARG 28 -14.345 -7.417 2.238 290 1HD ARG 28 2HD ARG 28 -11.882 -8.229 1.470 291 2HD ARG 28 3HD ARG 28 -12.778 -6.981 0.632 292 HE ARG 28 HE ARG 28 -11.360 -5.291 1.818 293 1HH1 ARG 28 2HH2 ARG 28 -10.244 -6.494 4.088 294 2HH1 ARG 28 1HH2 ARG 28 -8.710 -7.140 3.594 295 1HH2 ARG 28 2HH1 ARG 28 -9.626 -7.000 0.171 296 2HH2 ARG 28 1HH1 ARG 28 -8.319 -7.426 1.236 297 QB ARG 28 QB ARG 28 -13.093 -5.871 4.034 298 QG ARG 28 QG ARG 28 -13.756 -7.748 2.797 299 QD ARG 28 QD ARG 28 -12.330 -7.605 1.051 300 QH1 ARG 28 QH2 ARG 28 -9.477 -6.817 3.841 301 QH2 ARG 28 QH1 ARG 28 -8.973 -7.213 0.704 302 H ASP 29 HN ASP 29 -15.308 -3.852 4.948 303 HA ASP 29 HA ASP 29 -13.838 -1.288 4.691 304 1HB ASP 29 2HB ASP 29 -16.029 -2.128 6.608 305 2HB ASP 29 3HB ASP 29 -15.380 -0.500 6.456 306 QB ASP 29 QB ASP 29 -15.704 -1.314 6.532 307 H ASP 30 HN ASP 30 -12.440 -3.684 5.481 308 HA ASP 30 HA ASP 30 -11.504 -2.870 8.214 309 1HB ASP 30 2HB ASP 30 -10.775 -5.107 8.591 310 2HB ASP 30 3HB ASP 30 -12.318 -5.326 7.774 311 QB ASP 30 QB ASP 30 -11.547 -5.216 8.182 312 H PHE 31 HN PHE 31 -10.825 -3.249 4.895 313 HA PHE 31 HA PHE 31 -7.896 -2.834 5.281 314 1HB PHE 31 2HB PHE 31 -8.846 -4.719 3.829 315 2HB PHE 31 3HB PHE 31 -9.390 -3.477 2.713 316 HD1 PHE 31 1HD PHE 31 -7.657 -1.953 1.657 317 HD2 PHE 31 2HD PHE 31 -6.556 -5.407 3.900 318 HE1 PHE 31 1HE PHE 31 -5.426 -1.906 0.641 319 HE2 PHE 31 2HE PHE 31 -4.325 -5.361 2.879 320 HZ PHE 31 HZ PHE 31 -3.760 -3.619 1.235 321 QB PHE 31 QB PHE 31 -9.118 -4.098 3.271 322 QR PHE 31 QR PHE 31 -5.991 -3.657 2.269 323 H GLN 32 HN GLN 32 -7.233 -0.776 5.167 324 HA GLN 32 HA GLN 32 -8.633 1.039 3.241 325 1HB GLN 32 2HB GLN 32 -7.598 1.927 5.954 326 2HB GLN 32 3HB GLN 32 -8.611 2.843 4.852 327 1HG GLN 32 2HG GLN 32 -9.457 0.300 6.310 328 2HG GLN 32 3HG GLN 32 -9.924 1.925 6.767 329 1HE2 GLN 32 2HE2 GLN 32 -11.663 1.806 3.274 330 2HE2 GLN 32 1HE2 GLN 32 -10.123 2.430 3.614 331 QB GLN 32 QB GLN 32 -8.104 2.385 5.403 332 QG GLN 32 QG GLN 32 -9.690 1.113 6.539 333 QE2 GLN 32 QE2 GLN 32 -10.893 2.118 3.444 334 OH TYR 33 OH TYR 33 -6.718 5.693 -3.153 335 H TYR 33 HN TYR 33 -7.189 2.379 2.081 336 HA TYR 33 HA TYR 33 -4.299 1.900 2.742 337 1HB TYR 33 2HB TYR 33 -3.763 1.737 0.483 338 2HB TYR 33 3HB TYR 33 -5.344 0.972 0.515 339 HD1 TYR 33 HD1 TYR 33 -7.389 2.341 -0.159 340 HD2 TYR 33 HD2 TYR 33 -3.416 3.767 -0.735 341 HE1 TYR 33 HE1 TYR 33 -8.215 4.005 -1.764 342 HE2 TYR 33 HE2 TYR 33 -4.240 5.409 -2.349 343 HH TYR 33 HH TYR 33 -7.691 5.600 -3.209 344 QB TYR 33 QB TYR 33 -4.553 1.355 0.499 345 QR TYR 33 QR TYR 33 -5.815 3.880 -1.252 346 H GLN 34 HN GLN 34 -2.847 3.603 2.171 347 HA GLN 34 HA GLN 34 -4.062 6.320 1.965 348 1HB GLN 34 2HB GLN 34 -3.739 6.243 4.323 349 2HB GLN 34 3HB GLN 34 -2.272 5.284 4.177 350 1HG GLN 34 2HG GLN 34 -1.044 7.214 3.288 351 2HG GLN 34 3HG GLN 34 -2.512 8.182 3.279 352 1HE2 GLN 34 2HE2 GLN 34 -1.740 7.272 7.125 353 2HE2 GLN 34 1HE2 GLN 34 -2.304 6.094 6.050 354 QB GLN 34 QB GLN 34 -3.006 5.763 4.250 355 QG GLN 34 QG GLN 34 -1.778 7.698 3.284 356 QE2 GLN 34 QE2 GLN 34 -2.022 6.683 6.587 357 OH TYR 35 OH TYR 35 3.355 8.918 -4.572 358 H TYR 35 HN TYR 35 -2.781 7.774 0.855 359 HA TYR 35 HA TYR 35 -0.262 6.631 -0.301 360 1HB TYR 35 2HB TYR 35 -2.014 7.320 -1.979 361 2HB TYR 35 3HB TYR 35 -1.931 8.964 -1.343 362 HD1 TYR 35 HD1 TYR 35 0.470 10.067 -1.296 363 HD2 TYR 35 HD2 TYR 35 -0.512 6.687 -3.704 364 HE1 TYR 35 HE1 TYR 35 2.507 10.397 -2.592 365 HE2 TYR 35 HE2 TYR 35 1.550 7.029 -4.985 366 HH TYR 35 HH TYR 35 3.945 9.453 -4.010 367 QB TYR 35 QB TYR 35 -1.972 8.142 -1.661 368 QR TYR 35 QR TYR 35 1.003 8.545 -3.144 369 H VAL 36 HN VAL 36 1.630 7.688 0.184 370 HA VAL 36 HA VAL 36 1.429 10.359 1.473 371 HB VAL 36 HB VAL 36 1.447 8.410 3.125 372 1HG1 VAL 36 1HG1 VAL 36 3.143 7.128 1.916 373 2HG1 VAL 36 2HG1 VAL 36 4.327 8.400 2.222 374 3HG1 VAL 36 3HG1 VAL 36 3.658 7.478 3.564 375 1HG2 VAL 36 1HG2 VAL 36 1.914 10.754 3.781 376 2HG2 VAL 36 2HG2 VAL 36 2.921 9.625 4.679 377 3HG2 VAL 36 3HG2 VAL 36 3.606 10.541 3.342 378 QG1 VAL 36 QG1 VAL 36 3.709 7.668 2.567 379 QG2 VAL 36 QG2 VAL 36 2.814 10.307 3.934 380 QQG VAL 36 QQG VAL 36 3.262 8.987 3.251 381 H ASP 37 HN ASP 37 3.453 11.548 1.416 382 HA ASP 37 HA ASP 37 5.331 10.550 -0.689 383 1HB ASP 37 2HB ASP 37 4.256 12.323 -1.787 384 2HB ASP 37 3HB ASP 37 4.071 13.266 -0.312 385 QB ASP 37 QB ASP 37 4.164 12.795 -1.050 386 H ILE 38 HN ILE 38 7.509 11.445 -0.529 387 HA ILE 38 HA ILE 38 8.381 11.279 2.244 388 HB ILE 38 HB ILE 38 10.624 11.263 1.413 389 1HG1 ILE 38 2HG1 ILE 38 9.555 12.131 -1.302 390 2HG1 ILE 38 3HG1 ILE 38 10.363 13.201 -0.171 391 1HG2 ILE 38 1HG2 ILE 38 9.270 9.231 1.015 392 2HG2 ILE 38 2HG2 ILE 38 8.783 9.843 -0.561 393 3HG2 ILE 38 3HG2 ILE 38 10.466 9.430 -0.258 394 1HD1 ILE 38 3HD1 ILE 38 12.373 11.746 -0.208 395 2HD1 ILE 38 1HD1 ILE 38 11.582 10.705 -1.392 396 3HD1 ILE 38 2HD1 ILE 38 11.982 12.362 -1.812 397 QG1 ILE 38 QG1 ILE 38 9.959 12.666 -0.736 398 QG2 ILE 38 QG2 ILE 38 9.506 9.501 0.065 399 QD1 ILE 38 QD1 ILE 38 11.979 11.604 -1.137 400 NH1 ARG 39 NH1 ARG 39 7.132 19.111 1.661 401 NH2 ARG 39 NH2 ARG 39 8.923 20.510 1.812 402 H ARG 39 HN ARG 39 7.964 13.938 -0.085 403 HA ARG 39 HA ARG 39 9.457 15.779 1.649 404 1HB ARG 39 2HB ARG 39 8.758 15.881 -0.986 405 2HB ARG 39 3HB ARG 39 7.469 16.856 -0.301 406 1HG ARG 39 2HG ARG 39 9.508 17.987 1.029 407 2HG ARG 39 3HG ARG 39 10.446 17.337 -0.303 408 1HD ARG 39 2HD ARG 39 9.915 19.348 -1.280 409 2HD ARG 39 3HD ARG 39 8.480 18.454 -1.763 410 HE ARG 39 HE ARG 39 7.674 20.526 -0.699 411 1HH1 ARG 39 2HH1 ARG 39 6.506 18.592 1.083 412 2HH1 ARG 39 1HH1 ARG 39 7.048 19.044 2.658 413 1HH2 ARG 39 2HH2 ARG 39 9.632 21.037 1.346 414 2HH2 ARG 39 1HH2 ARG 39 8.883 20.505 2.811 415 QB ARG 39 QB ARG 39 8.114 16.368 -0.643 416 QG ARG 39 QG ARG 39 9.977 17.662 0.363 417 QD ARG 39 QD ARG 39 9.197 18.901 -1.522 418 QH1 ARG 39 QH1 ARG 39 6.777 18.818 1.871 419 QH2 ARG 39 QH2 ARG 39 9.257 20.771 2.079 420 H ALA 40 HN ALA 40 6.134 14.879 1.061 421 HA ALA 40 HA ALA 40 4.683 16.756 2.521 422 1HB ALA 40 1HB ALA 40 4.286 13.737 2.513 423 2HB ALA 40 2HB ALA 40 3.065 14.913 2.986 424 3HB ALA 40 3HB ALA 40 3.636 14.853 1.320 425 QB ALA 40 QB ALA 40 3.662 14.501 2.273 426 H GLU 41 HN GLU 41 6.108 13.749 3.812 427 HA GLU 41 HA GLU 41 5.773 14.713 6.573 428 1HB GLU 41 2HB GLU 41 7.330 12.256 5.695 429 2HB GLU 41 3HB GLU 41 6.584 12.552 7.256 430 1HG GLU 41 2HG GLU 41 4.342 12.659 5.881 431 2HG GLU 41 3HG GLU 41 5.267 11.813 4.647 432 QB GLU 41 QB GLU 41 6.957 12.404 6.475 433 QG GLU 41 QG GLU 41 4.805 12.236 5.264 434 H GLY 42 HN GLY 42 8.474 13.974 4.398 435 1HA GLY 42 1HA GLY 42 10.451 15.477 4.347 436 2HA GLY 42 2HA GLY 42 10.259 15.692 6.091 437 QA GLY 42 QA GLY 42 10.355 15.584 5.219 438 H ILE 43 HN ILE 43 10.358 12.904 3.929 439 HA ILE 43 HA ILE 43 12.210 11.536 5.827 440 HB ILE 43 HB ILE 43 10.931 9.938 3.666 441 1HG1 ILE 43 2HG1 ILE 43 9.190 10.933 5.950 442 2HG1 ILE 43 3HG1 ILE 43 9.101 11.588 4.320 443 1HG2 ILE 43 2HG2 ILE 43 12.249 8.944 5.524 444 2HG2 ILE 43 3HG2 ILE 43 11.104 9.611 6.685 445 3HG2 ILE 43 1HG2 ILE 43 10.589 8.371 5.548 446 1HD1 ILE 43 1HD1 ILE 43 8.625 9.299 3.446 447 2HD1 ILE 43 2HD1 ILE 43 8.599 8.705 5.107 448 3HD1 ILE 43 3HD1 ILE 43 7.398 9.872 4.572 449 QG1 ILE 43 QG1 ILE 43 9.145 11.261 5.135 450 QG2 ILE 43 QG2 ILE 43 11.314 8.975 5.919 451 QD1 ILE 43 QD1 ILE 43 8.207 9.292 4.375 452 H THR 44 HN THR 44 13.828 10.166 4.914 453 HA THR 44 HA THR 44 14.807 11.036 2.223 454 HB THR 44 HB THR 44 17.097 10.755 3.144 455 HG1 THR 44 1HG THR 44 17.329 9.824 5.075 456 1HG2 THR 44 1HG2 THR 44 15.350 12.170 5.223 457 2HG2 THR 44 2HG2 THR 44 17.079 12.401 4.995 458 3HG2 THR 44 3HG2 THR 44 15.946 12.940 3.758 459 QG2 THR 44 QG2 THR 44 16.125 12.504 4.658 460 H LYS 45 HN LYS 45 16.749 9.044 1.808 461 HA LYS 45 HA LYS 45 14.934 6.688 1.570 462 1HB LYS 45 2HB LYS 45 16.278 7.489 -0.433 463 2HB LYS 45 3HB LYS 45 17.740 7.013 0.424 464 1HG LYS 45 2HG LYS 45 17.189 5.145 -0.971 465 2HG LYS 45 3HG LYS 45 16.684 4.676 0.645 466 1HD LYS 45 2HD LYS 45 14.346 5.523 0.047 467 2HD LYS 45 3HD LYS 45 14.919 5.724 -1.598 468 1HE LYS 45 2HE LYS 45 13.831 3.577 -1.482 469 2HE LYS 45 3HE LYS 45 15.559 3.273 -1.593 470 1HZ LYS 45 2HZ LYS 45 14.947 3.501 1.114 471 2HZ LYS 45 3HZ LYS 45 13.754 2.509 0.412 472 3HZ LYS 45 1HZ LYS 45 15.380 2.098 0.249 473 QB LYS 45 QB LYS 45 17.009 7.251 -0.004 474 QG LYS 45 QG LYS 45 16.937 4.910 -0.163 475 QD LYS 45 QD LYS 45 14.632 5.624 -0.776 476 QE LYS 45 QE LYS 45 14.695 3.425 -1.537 477 QZ LYS 45 QZ LYS 45 14.694 2.703 0.592 478 H GLU 46 HN GLU 46 17.629 7.815 3.355 479 HA GLU 46 HA GLU 46 18.614 5.187 4.173 480 1HB GLU 46 2HB GLU 46 19.036 7.696 5.804 481 2HB GLU 46 3HB GLU 46 20.138 6.353 5.550 482 1HG GLU 46 2HG GLU 46 21.073 8.056 4.204 483 2HG GLU 46 3HG GLU 46 20.135 7.129 3.037 484 QB GLU 46 QB GLU 46 19.587 7.024 5.677 485 QG GLU 46 QG GLU 46 20.604 7.592 3.621 486 H ASP 47 HN ASP 47 16.638 7.770 5.572 487 HA ASP 47 HA ASP 47 15.973 6.506 8.033 488 1HB ASP 47 2HB ASP 47 15.482 8.898 7.459 489 2HB ASP 47 3HB ASP 47 14.244 8.351 6.333 490 QB ASP 47 QB ASP 47 14.863 8.624 6.896 491 H LEU 48 HN LEU 48 14.554 6.360 4.846 492 HA LEU 48 HA LEU 48 12.365 4.606 5.509 493 1HB LEU 48 2HB LEU 48 13.837 5.341 2.964 494 2HB LEU 48 3HB LEU 48 12.660 4.036 2.934 495 HG LEU 48 HG LEU 48 12.009 6.782 4.064 496 1HD1 LEU 48 2HD1 LEU 48 11.511 5.721 1.254 497 2HD1 LEU 48 3HD1 LEU 48 10.913 7.249 1.892 498 3HD1 LEU 48 1HD1 LEU 48 12.641 7.005 1.669 499 1HD2 LEU 48 2HD2 LEU 48 10.296 4.473 3.046 500 2HD2 LEU 48 3HD2 LEU 48 10.528 4.891 4.739 501 3HD2 LEU 48 1HD2 LEU 48 9.677 5.996 3.670 502 QB LEU 48 QB LEU 48 13.249 4.689 2.949 503 QD1 LEU 48 QD1 LEU 48 11.688 6.658 1.605 504 QD2 LEU 48 QD2 LEU 48 10.167 5.120 3.818 505 QQD LEU 48 QQD LEU 48 10.928 5.889 2.712 506 H GLN 49 HN GLN 49 15.647 4.026 4.253 507 HA GLN 49 HA GLN 49 15.630 1.244 4.032 508 1HB GLN 49 2HB GLN 49 17.625 2.816 3.675 509 2HB GLN 49 3HB GLN 49 17.862 2.789 5.414 510 1HG GLN 49 2HG GLN 49 18.077 0.317 5.349 511 2HG GLN 49 3HG GLN 49 17.859 0.348 3.606 512 1HE2 GLN 49 1HE2 GLN 49 21.237 2.426 4.390 513 2HE2 GLN 49 2HE2 GLN 49 19.698 3.077 4.695 514 QB GLN 49 QB GLN 49 17.744 2.802 4.545 515 QG GLN 49 QG GLN 49 17.968 0.333 4.478 516 QE2 GLN 49 QE2 GLN 49 20.468 2.751 4.543 517 H GLN 50 HN GLN 50 16.176 3.185 6.937 518 HA GLN 50 HA GLN 50 16.316 1.063 8.817 519 1HB GLN 50 2HB GLN 50 16.563 3.754 8.988 520 2HB GLN 50 3HB GLN 50 14.941 3.597 9.638 521 1HG GLN 50 2HG GLN 50 17.425 2.187 10.670 522 2HG GLN 50 3HG GLN 50 16.561 3.500 11.456 523 1HE2 GLN 50 2HE2 GLN 50 15.421 -0.176 12.310 524 2HE2 GLN 50 1HE2 GLN 50 16.952 0.265 11.723 525 QB GLN 50 QB GLN 50 15.752 3.675 9.313 526 QG GLN 50 QG GLN 50 16.993 2.844 11.063 527 QE2 GLN 50 QE2 GLN 50 16.187 0.044 12.016 528 H LYS 51 HN LYS 51 13.433 3.088 8.116 529 HA LYS 51 HA LYS 51 11.617 1.411 9.617 530 1HB LYS 51 2HB LYS 51 11.378 3.651 7.665 531 2HB LYS 51 3HB LYS 51 9.954 2.671 7.897 532 1HG LYS 51 2HG LYS 51 9.959 3.069 10.295 533 2HG LYS 51 3HG LYS 51 11.518 3.869 10.210 534 1HD LYS 51 2HD LYS 51 8.981 4.857 8.840 535 2HD LYS 51 3HD LYS 51 9.585 5.483 10.367 536 1HE LYS 51 2HE LYS 51 10.970 5.620 7.662 537 2HE LYS 51 3HE LYS 51 10.354 6.967 8.610 538 1HZ LYS 51 2HZ LYS 51 12.048 5.589 10.293 539 2HZ LYS 51 3HZ LYS 51 12.863 5.673 8.799 540 3HZ LYS 51 1HZ LYS 51 12.326 7.098 9.548 541 QB LYS 51 QB LYS 51 10.666 3.161 7.781 542 QG LYS 51 QG LYS 51 10.739 3.469 10.253 543 QD LYS 51 QD LYS 51 9.283 5.170 9.603 544 QE LYS 51 QE LYS 51 10.662 6.293 8.136 545 QZ LYS 51 QZ LYS 51 12.412 6.120 9.547 546 H ALA 52 HN ALA 52 13.115 0.827 6.729 547 HA ALA 52 HA ALA 52 10.903 -0.871 5.692 548 1HB ALA 52 1HB ALA 52 11.962 0.752 4.167 549 2HB ALA 52 2HB ALA 52 13.526 -0.008 4.442 550 3HB ALA 52 3HB ALA 52 12.252 -0.901 3.629 551 QB ALA 52 QB ALA 52 12.580 -0.052 4.079 552 H GLY 53 HN GLY 53 14.203 -0.996 6.830 553 1HA GLY 53 1HA GLY 53 15.687 -2.793 7.184 554 2HA GLY 53 2HA GLY 53 14.249 -3.586 7.830 555 QA GLY 53 QA GLY 53 14.968 -3.190 7.507 556 H LYS 54 HN LYS 54 14.527 -2.499 4.549 557 HA LYS 54 HA LYS 54 14.973 -5.225 3.532 558 1HB LYS 54 2HB LYS 54 12.554 -4.998 3.793 559 2HB LYS 54 3HB LYS 54 12.596 -3.426 3.016 560 1HG LYS 54 2HG LYS 54 13.227 -4.416 0.899 561 2HG LYS 54 3HG LYS 54 13.402 -5.986 1.662 562 1HD LYS 54 2HD LYS 54 10.982 -6.012 2.193 563 2HD LYS 54 3HD LYS 54 10.797 -4.425 1.469 564 1HE LYS 54 2HE LYS 54 11.947 -6.713 -0.127 565 2HE LYS 54 3HE LYS 54 10.212 -6.526 0.037 566 1HZ LYS 54 2HZ LYS 54 11.283 -4.014 -0.667 567 2HZ LYS 54 3HZ LYS 54 11.965 -5.183 -1.690 568 3HZ LYS 54 1HZ LYS 54 10.272 -5.070 -1.591 569 QB LYS 54 QB LYS 54 12.575 -4.212 3.404 570 QG LYS 54 QG LYS 54 13.314 -5.201 1.281 571 QD LYS 54 QD LYS 54 10.889 -5.218 1.831 572 QE LYS 54 QE LYS 54 11.080 -6.619 -0.045 573 QZ LYS 54 QZ LYS 54 11.173 -4.756 -1.316 574 HA PRO 55 HA PRO 55 18.341 -3.645 2.058 575 1HB PRO 55 2HB PRO 55 17.497 -3.698 -0.820 576 2HB PRO 55 3HB PRO 55 19.001 -4.269 -0.084 577 1HG PRO 55 2HG PRO 55 16.883 -5.924 -0.759 578 2HG PRO 55 3HG PRO 55 18.072 -6.317 0.486 579 1HD PRO 55 2HD PRO 55 15.248 -5.698 0.823 580 2HD PRO 55 3HD PRO 55 16.411 -6.203 2.064 581 QB PRO 55 QB PRO 55 18.249 -3.983 -0.452 582 QG PRO 55 QG PRO 55 17.478 -6.121 -0.137 583 QD PRO 55 QD PRO 55 15.829 -5.950 1.444 584 H VAL 56 HN VAL 56 18.483 -2.143 -0.526 585 HA VAL 56 HA VAL 56 17.873 0.530 0.564 586 HB VAL 56 HB VAL 56 19.263 -0.218 -1.964 587 1HG1 VAL 56 2HG1 VAL 56 19.165 2.391 -0.427 588 2HG1 VAL 56 3HG1 VAL 56 20.136 2.104 -1.871 589 3HG1 VAL 56 1HG1 VAL 56 18.380 2.085 -1.977 590 1HG2 VAL 56 3HG2 VAL 56 20.391 0.486 0.760 591 2HG2 VAL 56 1HG2 VAL 56 20.459 -1.098 0.001 592 3HG2 VAL 56 2HG2 VAL 56 21.350 0.247 -0.695 593 QG1 VAL 56 QG1 VAL 56 19.227 2.193 -1.425 594 QG2 VAL 56 QG2 VAL 56 20.733 -0.122 0.022 595 QQG VAL 56 QQG VAL 56 19.980 1.036 -0.702 596 H GLU 57 HN GLU 57 17.377 -1.222 -2.455 597 HA GLU 57 HA GLU 57 15.706 -1.052 -4.083 598 1HB GLU 57 2HB GLU 57 13.971 -0.477 -1.644 599 2HB GLU 57 3HB GLU 57 13.473 -1.270 -3.138 600 1HG GLU 57 2HG GLU 57 15.204 -3.063 -2.670 601 2HG GLU 57 3HG GLU 57 15.487 -2.314 -1.108 602 QB GLU 57 QB GLU 57 13.722 -0.873 -2.391 603 QG GLU 57 QG GLU 57 15.345 -2.689 -1.889 604 H THR 58 HN THR 58 13.341 0.525 -4.102 605 HA THR 58 HA THR 58 14.357 3.314 -4.032 606 HB THR 58 HB THR 58 14.861 2.418 -6.319 607 HG1 THR 58 1HG THR 58 14.403 4.446 -6.656 608 1HG2 THR 58 2HG2 THR 58 11.819 2.161 -6.527 609 2HG2 THR 58 3HG2 THR 58 12.964 1.934 -7.841 610 3HG2 THR 58 1HG2 THR 58 12.930 0.797 -6.495 611 QG2 THR 58 QG2 THR 58 12.571 1.631 -6.954 612 H VAL 59 HN VAL 59 12.015 4.195 -5.581 613 HA VAL 59 HA VAL 59 9.961 3.829 -3.445 614 HB VAL 59 HB VAL 59 9.073 6.049 -4.331 615 1HG1 VAL 59 2HG1 VAL 59 11.950 6.024 -3.335 616 2HG1 VAL 59 3HG1 VAL 59 10.857 7.399 -3.256 617 3HG1 VAL 59 1HG1 VAL 59 10.512 5.953 -2.320 618 1HG2 VAL 59 3HG2 VAL 59 11.710 5.997 -5.863 619 2HG2 VAL 59 1HG2 VAL 59 10.104 5.900 -6.582 620 3HG2 VAL 59 2HG2 VAL 59 10.613 7.369 -5.762 621 QG1 VAL 59 QG1 VAL 59 11.106 6.459 -2.970 622 QG2 VAL 59 QG2 VAL 59 10.809 6.422 -6.069 623 QQG VAL 59 QQG VAL 59 10.957 6.440 -4.519 624 HA PRO 60 HA PRO 60 8.000 4.520 -3.261 625 1HB PRO 60 2HB PRO 60 5.444 3.609 -3.075 626 2HB PRO 60 3HB PRO 60 5.869 4.982 -4.098 627 1HG PRO 60 2HG PRO 60 5.226 2.169 -4.891 628 2HG PRO 60 3HG PRO 60 4.961 3.662 -5.790 629 1HD PRO 60 2HD PRO 60 7.108 1.827 -6.161 630 2HD PRO 60 3HD PRO 60 6.972 3.443 -6.884 631 QB PRO 60 QB PRO 60 5.656 4.295 -3.587 632 QG PRO 60 QG PRO 60 5.094 2.916 -5.340 633 QD PRO 60 QD PRO 60 7.040 2.635 -6.522 634 H GLN 61 HN GLN 61 7.289 3.534 -1.160 635 HA GLN 61 HA GLN 61 7.838 0.590 -1.147 636 1HB GLN 61 2HB GLN 61 8.595 2.674 0.917 637 2HB GLN 61 3HB GLN 61 8.605 0.942 1.254 638 1HG GLN 61 2HG GLN 61 10.088 0.688 -0.834 639 2HG GLN 61 3HG GLN 61 10.247 2.439 -0.825 640 1HE2 GLN 61 2HE2 GLN 61 11.855 0.496 2.411 641 2HE2 GLN 61 1HE2 GLN 61 10.354 -0.030 1.835 642 QB GLN 61 QB GLN 61 8.600 1.808 1.085 643 QG GLN 61 QG GLN 61 10.168 1.563 -0.830 644 QE2 GLN 61 QE2 GLN 61 11.105 0.233 2.123 645 H ILE 62 HN ILE 62 6.277 -0.631 -0.367 646 HA ILE 62 HA ILE 62 3.951 0.781 0.832 647 HB ILE 62 HB ILE 62 4.163 -1.940 -0.498 648 1HG1 ILE 62 2HG1 ILE 62 2.705 0.590 -1.337 649 2HG1 ILE 62 3HG1 ILE 62 4.346 0.214 -1.855 650 1HG2 ILE 62 1HG2 ILE 62 1.711 -0.461 0.590 651 2HG2 ILE 62 2HG2 ILE 62 1.676 -1.986 -0.296 652 3HG2 ILE 62 3HG2 ILE 62 2.409 -1.914 1.299 653 1HD1 ILE 62 2HD1 ILE 62 1.924 -1.542 -2.318 654 2HD1 ILE 62 3HD1 ILE 62 2.708 -0.516 -3.515 655 3HD1 ILE 62 1HD1 ILE 62 3.581 -1.882 -2.835 656 QG1 ILE 62 QG1 ILE 62 3.525 0.402 -1.596 657 QG2 ILE 62 QG2 ILE 62 1.932 -1.454 0.531 658 QD1 ILE 62 QD1 ILE 62 2.738 -1.313 -2.889 659 H PHE 63 HN PHE 63 3.053 0.154 2.612 660 HA PHE 63 HA PHE 63 4.389 -1.957 4.258 661 1HB PHE 63 2HB PHE 63 3.632 0.823 5.243 662 2HB PHE 63 3HB PHE 63 4.290 -0.470 6.238 663 HD1 PHE 63 2HD PHE 63 5.069 1.720 3.325 664 HD2 PHE 63 1HD PHE 63 6.646 -0.803 6.371 665 HE1 PHE 63 2HE PHE 63 7.329 2.539 2.836 666 HE2 PHE 63 1HE PHE 63 8.906 -0.010 5.857 667 HZ PHE 63 HZ PHE 63 9.260 1.682 4.111 668 QB PHE 63 QB PHE 63 3.961 0.176 5.740 669 QR PHE 63 QR PHE 63 6.988 0.861 4.597 670 H VAL 64 HN VAL 64 3.040 -2.942 5.697 671 HA VAL 64 HA VAL 64 0.111 -2.333 5.505 672 HB VAL 64 HB VAL 64 1.569 -4.973 5.988 673 1HG1 VAL 64 2HG1 VAL 64 -1.414 -4.371 6.029 674 2HG1 VAL 64 3HG1 VAL 64 -0.704 -5.981 6.110 675 3HG1 VAL 64 1HG1 VAL 64 -0.436 -4.837 7.418 676 1HG2 VAL 64 1HG2 VAL 64 1.444 -4.246 3.614 677 2HG2 VAL 64 2HG2 VAL 64 0.457 -5.678 3.901 678 3HG2 VAL 64 3HG2 VAL 64 -0.303 -4.092 3.763 679 QG1 VAL 64 QG1 VAL 64 -0.851 -5.063 6.519 680 QG2 VAL 64 QG2 VAL 64 0.533 -4.672 3.759 681 QQG VAL 64 QQG VAL 64 -0.159 -4.868 5.139 682 H ASP 65 HN ASP 65 0.130 -0.931 7.223 683 HA ASP 65 HA ASP 65 0.037 -0.252 9.448 684 1HB ASP 65 2HB ASP 65 0.227 -3.238 9.926 685 2HB ASP 65 3HB ASP 65 -0.070 -2.061 11.192 686 QB ASP 65 QB ASP 65 0.078 -2.649 10.559 687 H GLN 66 HN GLN 66 2.170 -2.954 9.789 688 HA GLN 66 HA GLN 66 4.453 -1.120 10.242 689 1HB GLN 66 2HB GLN 66 3.770 -3.518 11.976 690 2HB GLN 66 3HB GLN 66 5.214 -2.527 12.143 691 1HG GLN 66 2HG GLN 66 3.679 -0.518 12.459 692 2HG GLN 66 3HG GLN 66 2.334 -1.651 12.538 693 1HE2 GLN 66 2HE2 GLN 66 2.931 -2.324 15.927 694 2HE2 GLN 66 1HE2 GLN 66 1.833 -2.279 14.633 695 QB GLN 66 QB GLN 66 4.492 -3.023 12.060 696 QG GLN 66 QG GLN 66 3.007 -1.085 12.499 697 QE2 GLN 66 QE2 GLN 66 2.382 -2.302 15.280 698 H GLN 67 HN GLN 67 3.276 -3.958 8.742 699 HA GLN 67 HA GLN 67 5.819 -5.347 8.456 700 1HB GLN 67 2HB GLN 67 3.182 -5.511 6.940 701 2HB GLN 67 3HB GLN 67 4.518 -6.591 6.682 702 1HG GLN 67 2HG GLN 67 4.279 -7.540 8.899 703 2HG GLN 67 3HG GLN 67 3.093 -6.311 9.343 704 1HE2 GLN 67 2HE2 GLN 67 0.476 -8.347 8.147 705 2HE2 GLN 67 1HE2 GLN 67 1.040 -7.259 9.320 706 QB GLN 67 QB GLN 67 3.850 -6.051 6.811 707 QG GLN 67 QG GLN 67 3.686 -6.926 9.121 708 QE2 GLN 67 QE2 GLN 67 0.758 -7.803 8.734 709 H HIS 68 HN HIS 68 7.380 -4.793 6.904 710 HA HIS 68 HA HIS 68 6.620 -2.672 4.967 711 1HB HIS 68 2HB HIS 68 8.788 -2.415 6.100 712 2HB HIS 68 3HB HIS 68 9.275 -4.006 5.569 713 HD1 HIS 68 HD1 HIS 68 11.158 -3.183 4.171 714 HD2 HIS 68 HD2 HIS 68 7.604 -1.486 3.003 715 HE1 HIS 68 HE1 HIS 68 11.531 -2.207 1.843 716 QB HIS 68 QB HIS 68 9.031 -3.210 5.835 717 H ILE 69 HN ILE 69 6.350 -3.146 2.798 718 HA ILE 69 HA ILE 69 6.561 -6.036 2.073 719 HB ILE 69 HB ILE 69 4.935 -3.933 0.614 720 1HG1 ILE 69 2HG1 ILE 69 4.156 -3.907 2.951 721 2HG1 ILE 69 3HG1 ILE 69 2.962 -4.679 1.925 722 1HG2 ILE 69 2HG2 ILE 69 4.807 -6.959 0.812 723 2HG2 ILE 69 3HG2 ILE 69 3.631 -5.975 -0.036 724 3HG2 ILE 69 1HG2 ILE 69 5.296 -6.017 -0.588 725 1HD1 ILE 69 1HD1 ILE 69 3.817 -6.906 2.611 726 2HD1 ILE 69 2HD1 ILE 69 4.992 -6.134 3.664 727 3HD1 ILE 69 3HD1 ILE 69 3.271 -5.980 3.997 728 QG1 ILE 69 QG1 ILE 69 3.559 -4.293 2.438 729 QG2 ILE 69 QG2 ILE 69 4.578 -6.317 0.063 730 QD1 ILE 69 QD1 ILE 69 4.027 -6.340 3.424 731 H GLY 70 HN GLY 70 6.960 -2.770 0.736 732 1HA GLY 70 1HA GLY 70 9.231 -2.367 -0.319 733 2HA GLY 70 2HA GLY 70 9.036 -3.931 -1.081 734 QA GLY 70 QA GLY 70 9.134 -3.149 -0.700 735 H GLY 71 HN GLY 71 8.564 -3.775 -3.191 736 1HA GLY 71 1HA GLY 71 7.311 -1.266 -4.176 737 2HA GLY 71 2HA GLY 71 8.111 -2.482 -5.170 738 QA GLY 71 QA GLY 71 7.711 -1.874 -4.673 739 OH TYR 72 OH TYR 72 -1.368 -4.285 -9.211 740 H TYR 72 HN TYR 72 5.999 -1.909 -6.372 741 HA TYR 72 HA TYR 72 3.489 -2.869 -5.455 742 1HB TYR 72 2HB TYR 72 3.706 -1.400 -7.433 743 2HB TYR 72 3HB TYR 72 4.502 -2.693 -8.317 744 HD1 TYR 72 HD2 TYR 72 1.470 -2.643 -6.099 745 HD2 TYR 72 HD1 TYR 72 3.040 -3.550 -9.948 746 HE1 TYR 72 HE2 TYR 72 -0.740 -3.446 -6.814 747 HE2 TYR 72 HE1 TYR 72 0.846 -4.365 -10.653 748 HH TYR 72 HH TYR 72 -1.283 -5.032 -9.813 749 QB TYR 72 QB TYR 72 4.104 -2.047 -7.875 750 QR TYR 72 QR TYR 72 1.154 -3.501 -8.379 751 H THR 73 HN THR 73 5.884 -4.548 -7.519 752 HA THR 73 HA THR 73 4.569 -6.965 -7.968 753 HB THR 73 HB THR 73 7.135 -7.859 -7.479 754 HG1 THR 73 1HG THR 73 7.812 -5.942 -6.518 755 1HG2 THR 73 1HG2 THR 73 6.456 -5.887 -9.719 756 2HG2 THR 73 2HG2 THR 73 7.751 -7.081 -9.746 757 3HG2 THR 73 3HG2 THR 73 6.069 -7.607 -9.784 758 QG2 THR 73 QG2 THR 73 6.759 -6.858 -9.750 759 H ASP 74 HN ASP 74 6.406 -5.981 -5.248 760 HA ASP 74 HA ASP 74 6.216 -8.242 -3.548 761 1HB ASP 74 2HB ASP 74 6.238 -5.377 -2.541 762 2HB ASP 74 3HB ASP 74 6.974 -6.782 -1.807 763 QB ASP 74 QB ASP 74 6.606 -6.079 -2.174 764 H PHE 75 HN PHE 75 4.440 -5.195 -3.434 765 HA PHE 75 HA PHE 75 2.491 -5.804 -1.548 766 1HB PHE 75 2HB PHE 75 2.708 -3.601 -2.554 767 2HB PHE 75 3HB PHE 75 2.141 -4.210 -4.099 768 HD1 PHE 75 2HD PHE 75 0.682 -5.239 -0.821 769 HD2 PHE 75 1HD PHE 75 0.200 -2.794 -4.271 770 HE1 PHE 75 2HE PHE 75 -1.607 -4.724 -0.132 771 HE2 PHE 75 1HE PHE 75 -2.087 -2.265 -3.561 772 HZ PHE 75 HZ PHE 75 -3.000 -3.250 -1.513 773 QB PHE 75 QB PHE 75 2.425 -3.905 -3.326 774 QR PHE 75 QR PHE 75 -0.703 -3.755 -2.196 775 H ALA 76 HN ALA 76 2.172 -6.364 -5.043 776 HA ALA 76 HA ALA 76 -0.393 -7.599 -4.942 777 1HB ALA 76 1HB ALA 76 1.917 -8.278 -6.805 778 2HB ALA 76 2HB ALA 76 0.233 -8.708 -7.072 779 3HB ALA 76 3HB ALA 76 0.723 -7.018 -7.086 780 QB ALA 76 QB ALA 76 0.957 -8.001 -6.988 781 H ALA 77 HN ALA 77 2.845 -9.065 -4.867 782 HA ALA 77 HA ALA 77 2.105 -11.728 -4.378 783 1HB ALA 77 3HB ALA 77 4.456 -11.003 -4.694 784 2HB ALA 77 1HB ALA 77 4.436 -10.231 -3.115 785 3HB ALA 77 2HB ALA 77 4.289 -11.982 -3.238 786 QB ALA 77 QB ALA 77 4.394 -11.072 -3.682 787 CH2 TRP 78 CH2 TRP 78 -1.829 -7.913 4.137 788 H TRP 78 HN TRP 78 2.854 -9.301 -1.867 789 HA TRP 78 HA TRP 78 2.180 -10.834 0.395 790 1HB TRP 78 2HB TRP 78 3.148 -8.559 0.515 791 2HB TRP 78 3HB TRP 78 1.622 -7.882 0.033 792 HD1 TRP 78 HD1 TRP 78 3.483 -9.117 3.111 793 HE1 TRP 78 HE1 TRP 78 2.092 -8.780 5.186 794 HE3 TRP 78 HE3 TRP 78 -0.840 -7.965 0.897 795 HZ2 TRP 78 HZ2 TRP 78 -0.554 -8.176 5.833 796 HZ3 TRP 78 HZ3 TRP 78 -2.854 -7.645 2.285 797 HH2 TRP 78 HH2 TRP 78 -2.714 -7.735 4.733 798 QB TRP 78 QB TRP 78 2.385 -8.221 0.274 799 H VAL 79 HN VAL 79 -0.031 -8.696 -1.440 800 HA VAL 79 HA VAL 79 -2.361 -9.281 0.086 801 HB VAL 79 HB VAL 79 -2.253 -8.800 -2.924 802 1HG1 VAL 79 2HG1 VAL 79 -4.447 -9.614 -2.068 803 2HG1 VAL 79 3HG1 VAL 79 -4.459 -8.325 -0.873 804 3HG1 VAL 79 1HG1 VAL 79 -4.552 -7.941 -2.590 805 1HG2 VAL 79 2HG2 VAL 79 -2.502 -6.823 -0.625 806 2HG2 VAL 79 3HG2 VAL 79 -1.092 -7.005 -1.651 807 3HG2 VAL 79 1HG2 VAL 79 -2.597 -6.412 -2.338 808 QG1 VAL 79 QG1 VAL 79 -4.486 -8.627 -1.844 809 QG2 VAL 79 QG2 VAL 79 -2.064 -6.747 -1.538 810 QQG VAL 79 QQG VAL 79 -3.275 -7.687 -1.691 811 H LYS 80 HN LYS 80 -0.952 -10.933 -2.689 812 HA LYS 80 HA LYS 80 -3.036 -12.976 -2.739 813 1HB LYS 80 2HB LYS 80 -1.449 -12.057 -4.645 814 2HB LYS 80 3HB LYS 80 -0.338 -13.280 -4.043 815 1HG LYS 80 2HG LYS 80 -1.440 -14.758 -5.358 816 2HG LYS 80 3HG LYS 80 -2.766 -14.655 -4.204 817 1HD LYS 80 2HD LYS 80 -3.664 -12.687 -5.522 818 2HD LYS 80 3HD LYS 80 -2.402 -12.973 -6.715 819 1HE LYS 80 2HE LYS 80 -4.267 -14.152 -7.576 820 2HE LYS 80 3HE LYS 80 -3.291 -15.402 -6.811 821 1HZ LYS 80 2HZ LYS 80 -5.018 -14.269 -4.907 822 2HZ LYS 80 3HZ LYS 80 -5.932 -14.743 -6.240 823 3HZ LYS 80 1HZ LYS 80 -4.951 -15.868 -5.424 824 QB LYS 80 QB LYS 80 -0.893 -12.669 -4.344 825 QG LYS 80 QG LYS 80 -2.103 -14.707 -4.781 826 QD LYS 80 QD LYS 80 -3.033 -12.830 -6.119 827 QE LYS 80 QE LYS 80 -3.779 -14.777 -7.193 828 QZ LYS 80 QZ LYS 80 -5.301 -14.960 -5.524 829 H GLU 81 HN GLU 81 -0.873 -12.571 -0.414 830 HA GLU 81 HA GLU 81 -0.439 -15.519 -0.031 831 1HB GLU 81 2HB GLU 81 1.364 -13.213 0.767 832 2HB GLU 81 3HB GLU 81 1.588 -14.865 1.324 833 1HG GLU 81 2HG GLU 81 1.823 -15.620 -1.033 834 2HG GLU 81 3HG GLU 81 1.612 -13.957 -1.577 835 QB GLU 81 QB GLU 81 1.476 -14.039 1.045 836 QG GLU 81 QG GLU 81 1.718 -14.788 -1.305 837 H ASN 82 HN ASN 82 -1.042 -12.426 1.496 838 HA ASN 82 HA ASN 82 -1.685 -13.727 4.077 839 1HB ASN 82 2HB ASN 82 -1.478 -10.815 3.232 840 2HB ASN 82 3HB ASN 82 -1.960 -11.323 4.846 841 1HD2 ASN 82 2HD2 ASN 82 1.949 -11.545 3.754 842 2HD2 ASN 82 1HD2 ASN 82 0.758 -11.119 2.618 843 QB ASN 82 QB ASN 82 -1.719 -11.069 4.039 844 QD2 ASN 82 QD2 ASN 82 1.353 -11.332 3.186 845 H LEU 83 HN LEU 83 -3.374 -12.150 1.390 846 HA LEU 83 HA LEU 83 -5.917 -12.500 2.953 847 1HB LEU 83 2HB LEU 83 -5.449 -10.534 0.704 848 2HB LEU 83 3HB LEU 83 -6.823 -10.583 1.800 849 HG LEU 83 HG LEU 83 -3.947 -9.951 2.593 850 1HD1 LEU 83 1HD1 LEU 83 -6.420 -8.201 2.371 851 2HD1 LEU 83 2HD1 LEU 83 -4.871 -7.678 3.010 852 3HD1 LEU 83 3HD1 LEU 83 -5.012 -8.136 1.318 853 1HD2 LEU 83 2HD2 LEU 83 -6.511 -9.910 4.244 854 2HD2 LEU 83 3HD2 LEU 83 -5.197 -11.066 4.429 855 3HD2 LEU 83 1HD2 LEU 83 -4.930 -9.369 4.800 856 QB LEU 83 QB LEU 83 -6.136 -10.558 1.252 857 QD1 LEU 83 QD1 LEU 83 -5.434 -8.005 2.233 858 QD2 LEU 83 QD2 LEU 83 -5.546 -10.115 4.491 859 QQD LEU 83 QQD LEU 83 -5.490 -9.060 3.362 860 H ASP 84 HN ASP 84 -4.476 -14.347 1.032 861 HA ASP 84 HA ASP 84 -6.512 -14.475 -1.122 862 1HB ASP 84 2HB ASP 84 -3.756 -14.833 -1.157 863 2HB ASP 84 3HB ASP 84 -4.350 -16.487 -1.180 864 QB ASP 84 QB ASP 84 -4.053 -15.660 -1.168 865 H ALA 85 HN ALA 85 -7.439 -15.064 1.376 866 HA ALA 85 HA ALA 85 -8.174 -17.920 1.106 867 1HB ALA 85 3HB ALA 85 -6.346 -17.812 2.798 868 2HB ALA 85 1HB ALA 85 -7.276 -16.624 3.708 869 3HB ALA 85 2HB ALA 85 -7.880 -18.268 3.535 870 QB ALA 85 QB ALA 85 -7.167 -17.568 3.347 Start of MODEL 18 Raw file had 870 H/Q atoms Start of MODEL 18 1 H MET 1 HN MET 1 -4.943 -1.351 9.659 2 HA MET 1 HA MET 1 -3.548 -3.383 8.273 3 1HB MET 1 2HB MET 1 -6.571 -3.738 8.371 4 2HB MET 1 3HB MET 1 -5.510 -4.532 7.219 5 1HG MET 1 2HG MET 1 -4.239 -5.529 9.124 6 2HG MET 1 3HG MET 1 -5.365 -4.798 10.232 7 1HE MET 1 1HE MET 1 -5.152 -7.184 7.136 8 2HE MET 1 2HE MET 1 -4.294 -7.845 8.535 9 3HE MET 1 3HE MET 1 -5.731 -8.656 7.916 10 QB MET 1 QB MET 1 -6.041 -4.135 7.795 11 QG MET 1 QG MET 1 -4.802 -5.163 9.678 12 QE MET 1 QE MET 1 -5.059 -7.895 7.862 13 H GLN 2 HN GLN 2 -3.160 -0.954 7.946 14 HA GLN 2 HA GLN 2 -4.786 0.018 5.708 15 1HB GLN 2 2HB GLN 2 -4.862 1.463 7.711 16 2HB GLN 2 3HB GLN 2 -3.103 1.506 7.753 17 1HG GLN 2 2HG GLN 2 -2.948 2.870 5.876 18 2HG GLN 2 3HG GLN 2 -4.519 2.362 5.262 19 1HE2 GLN 2 2HE2 GLN 2 -5.945 5.284 6.657 20 2HE2 GLN 2 1HE2 GLN 2 -5.687 4.365 5.247 21 QB GLN 2 QB GLN 2 -3.983 1.484 7.732 22 QG GLN 2 QG GLN 2 -3.733 2.616 5.569 23 QE2 GLN 2 QE2 GLN 2 -5.816 4.824 5.952 24 H THR 3 HN THR 3 -3.513 1.068 4.028 25 HA THR 3 HA THR 3 -0.807 -0.175 3.750 26 HB THR 3 HB THR 3 -2.424 1.085 1.482 27 HG1 THR 3 1HG THR 3 -3.602 -0.556 2.770 28 1HG2 THR 3 3HG2 THR 3 -0.521 -1.298 1.602 29 2HG2 THR 3 1HG2 THR 3 -1.233 -0.608 0.148 30 3HG2 THR 3 2HG2 THR 3 -0.043 0.309 1.062 31 QG2 THR 3 QG2 THR 3 -0.599 -0.533 0.938 32 H VAL 4 HN VAL 4 0.943 1.142 3.334 33 HA VAL 4 HA VAL 4 0.424 4.087 3.130 34 HB VAL 4 HB VAL 4 2.824 2.943 4.578 35 1HG1 VAL 4 1HG1 VAL 4 1.365 5.609 4.748 36 2HG1 VAL 4 2HG1 VAL 4 2.810 5.178 5.656 37 3HG1 VAL 4 3HG1 VAL 4 2.882 5.323 3.903 38 1HG2 VAL 4 2HG2 VAL 4 0.152 3.653 5.848 39 2HG2 VAL 4 3HG2 VAL 4 0.838 2.035 5.734 40 3HG2 VAL 4 1HG2 VAL 4 1.628 3.251 6.727 41 QG1 VAL 4 QG1 VAL 4 2.352 5.370 4.769 42 QG2 VAL 4 QG2 VAL 4 0.873 2.980 6.103 43 QQG VAL 4 QQG VAL 4 1.612 4.175 5.436 44 H ILE 5 HN ILE 5 1.146 4.688 1.194 45 HA ILE 5 HA ILE 5 3.462 3.209 -0.006 46 HB ILE 5 HB ILE 5 1.380 5.041 -1.281 47 1HG1 ILE 5 2HG1 ILE 5 0.646 3.080 -2.534 48 2HG1 ILE 5 3HG1 ILE 5 1.830 2.070 -1.728 49 1HG2 ILE 5 1HG2 ILE 5 3.683 3.518 -2.554 50 2HG2 ILE 5 2HG2 ILE 5 2.420 4.362 -3.442 51 3HG2 ILE 5 3HG2 ILE 5 3.536 5.270 -2.431 52 1HD1 ILE 5 1HD1 ILE 5 -0.438 3.526 -0.323 53 2HD1 ILE 5 2HD1 ILE 5 -0.486 1.835 -0.805 54 3HD1 ILE 5 3HD1 ILE 5 0.661 2.364 0.411 55 QG1 ILE 5 QG1 ILE 5 1.238 2.575 -2.131 56 QG2 ILE 5 QG2 ILE 5 3.213 4.383 -2.809 57 QD1 ILE 5 QD1 ILE 5 -0.088 2.575 -0.239 58 H PHE 6 HN PHE 6 5.361 4.261 -0.225 59 HA PHE 6 HA PHE 6 5.476 7.217 0.321 60 1HB PHE 6 2HB PHE 6 7.609 5.040 0.557 61 2HB PHE 6 3HB PHE 6 7.883 6.741 0.871 62 HD1 PHE 6 1HD PHE 6 5.987 7.758 2.651 63 HD2 PHE 6 2HD PHE 6 7.331 3.712 2.427 64 HE1 PHE 6 1HE PHE 6 5.415 7.423 5.013 65 HE2 PHE 6 2HE PHE 6 6.763 3.394 4.798 66 HZ PHE 6 HZ PHE 6 5.783 5.250 6.085 67 QB PHE 6 QB PHE 6 7.746 5.891 0.714 68 QR PHE 6 QR PHE 6 6.374 5.572 3.722 69 H GLY 7 HN GLY 7 5.496 8.184 -1.725 70 1HA GLY 7 1HA GLY 7 7.459 7.026 -3.697 71 2HA GLY 7 2HA GLY 7 5.854 7.516 -4.218 72 QA GLY 7 QA GLY 7 6.656 7.271 -3.957 73 NH1 ARG 8 NH1 ARG 8 7.762 10.602 -9.353 74 NH2 ARG 8 NH2 ARG 8 9.381 12.196 -9.371 75 H ARG 8 HN ARG 8 7.334 8.717 -5.696 76 HA ARG 8 HA ARG 8 8.160 11.360 -4.549 77 1HB ARG 8 2HB ARG 8 9.425 11.427 -6.880 78 2HB ARG 8 3HB ARG 8 10.116 10.512 -5.549 79 1HG ARG 8 2HG ARG 8 9.335 8.433 -6.430 80 2HG ARG 8 3HG ARG 8 8.240 9.217 -7.549 81 1HD ARG 8 2HD ARG 8 11.220 9.683 -7.746 82 2HD ARG 8 3HD ARG 8 10.514 8.238 -8.443 83 HE ARG 8 HE ARG 8 10.401 9.854 -10.244 84 1HH1 ARG 8 2HH1 ARG 8 7.509 9.636 -9.366 85 2HH1 ARG 8 1HH1 ARG 8 7.037 11.297 -9.324 86 1HH2 ARG 8 2HH2 ARG 8 10.351 12.432 -9.406 87 2HH2 ARG 8 1HH2 ARG 8 8.687 12.920 -9.346 88 QB ARG 8 QB ARG 8 9.770 10.969 -6.214 89 QG ARG 8 QG ARG 8 8.787 8.825 -6.989 90 QD ARG 8 QD ARG 8 10.867 8.960 -8.094 91 QH1 ARG 8 QH1 ARG 8 7.273 10.466 -9.345 92 QH2 ARG 8 QH2 ARG 8 9.519 12.676 -9.376 93 H SER 9 HN SER 9 7.382 13.237 -5.600 94 HA SER 9 HA SER 9 4.813 13.229 -6.703 95 1HB SER 9 2HB SER 9 5.869 15.315 -5.904 96 2HB SER 9 3HB SER 9 7.005 15.272 -7.270 97 HG SER 9 HG SER 9 4.578 16.272 -7.291 98 QB SER 9 QB SER 9 6.437 15.294 -6.587 99 H GLY 10 HN GLY 10 3.943 12.775 -8.606 100 1HA GLY 10 1HA GLY 10 3.859 12.934 -11.042 101 2HA GLY 10 2HA GLY 10 5.616 12.834 -11.081 102 QA GLY 10 QA GLY 10 4.737 12.884 -11.061 103 H CYS 11 HN CYS 11 3.826 11.246 -12.610 104 HA CYS 11 HA CYS 11 3.705 9.091 -13.402 105 1HB CYS 11 2HB CYS 11 5.309 8.195 -11.025 106 2HB CYS 11 3HB CYS 11 5.145 7.454 -12.585 107 HG CYS 11 HG CYS 11 6.951 8.855 -13.525 108 QB CYS 11 QB CYS 11 5.227 7.824 -11.805 109 HA PRO 12 HA PRO 12 0.322 7.540 -10.757 110 1HB PRO 12 2HB PRO 12 -0.490 6.493 -13.425 111 2HB PRO 12 3HB PRO 12 -1.458 7.351 -12.219 112 1HG PRO 12 2HG PRO 12 -0.642 8.553 -14.522 113 2HG PRO 12 3HG PRO 12 -0.806 9.463 -13.016 114 1HD PRO 12 2HD PRO 12 1.699 8.451 -14.353 115 2HD PRO 12 3HD PRO 12 1.450 9.948 -13.425 116 QB PRO 12 QB PRO 12 -0.974 6.922 -12.822 117 QG PRO 12 QG PRO 12 -0.724 9.008 -13.769 118 QD PRO 12 QD PRO 12 1.575 9.200 -13.889 119 OH TYR 13 OH TYR 13 7.447 -0.246 -10.017 120 H TYR 13 HN TYR 13 2.625 6.443 -10.421 121 HA TYR 13 HA TYR 13 2.444 3.616 -11.384 122 1HB TYR 13 2HB TYR 13 4.487 4.679 -12.173 123 2HB TYR 13 3HB TYR 13 4.858 5.278 -10.568 124 HD1 TYR 13 HD2 TYR 13 3.503 1.897 -10.525 125 HD2 TYR 13 HD1 TYR 13 7.095 4.127 -11.096 126 HE1 TYR 13 HE2 TYR 13 4.830 -0.093 -10.022 127 HE2 TYR 13 HE1 TYR 13 8.404 2.130 -10.577 128 HH TYR 13 HH TYR 13 8.285 -0.161 -10.487 129 QB TYR 13 QB TYR 13 4.672 4.979 -11.371 130 QR TYR 13 QR TYR 13 5.958 2.015 -10.555 131 H CYS 14 HN CYS 14 4.065 5.274 -8.672 132 HA CYS 14 HA CYS 14 3.790 3.193 -6.783 133 1HB CYS 14 2HB CYS 14 3.411 6.071 -5.965 134 2HB CYS 14 3HB CYS 14 4.221 4.794 -5.094 135 HG CYS 14 HG CYS 14 6.359 5.316 -6.238 136 QB CYS 14 QB CYS 14 3.816 5.433 -5.530 137 H VAL 15 HN VAL 15 1.682 5.827 -7.630 138 HA VAL 15 HA VAL 15 -0.475 5.647 -5.906 139 HB VAL 15 HB VAL 15 -0.518 5.917 -8.947 140 1HG1 VAL 15 1HG1 VAL 15 -2.625 6.695 -6.900 141 2HG1 VAL 15 2HG1 VAL 15 -2.690 7.044 -8.625 142 3HG1 VAL 15 3HG1 VAL 15 -2.762 5.383 -8.061 143 1HG2 VAL 15 2HG2 VAL 15 -0.458 8.012 -6.737 144 2HG2 VAL 15 3HG2 VAL 15 0.883 7.611 -7.801 145 3HG2 VAL 15 1HG2 VAL 15 -0.567 8.351 -8.460 146 QG1 VAL 15 QG1 VAL 15 -2.693 6.374 -7.862 147 QG2 VAL 15 QG2 VAL 15 -0.047 7.991 -7.666 148 QQG VAL 15 QQG VAL 15 -1.370 7.183 -7.764 149 NH1 ARG 16 NH2 ARG 16 -2.679 -2.636 -9.749 150 NH2 ARG 16 NH1 ARG 16 -0.982 -3.061 -11.179 151 H ARG 16 HN ARG 16 0.230 3.479 -8.620 152 HA ARG 16 HA ARG 16 -2.061 1.958 -8.849 153 1HB ARG 16 2HB ARG 16 0.082 1.826 -10.152 154 2HB ARG 16 3HB ARG 16 0.825 1.003 -8.790 155 1HG ARG 16 2HG ARG 16 0.148 -0.675 -10.317 156 2HG ARG 16 3HG ARG 16 -0.969 -0.729 -8.959 157 1HD ARG 16 2HD ARG 16 -2.660 0.503 -10.211 158 2HD ARG 16 3HD ARG 16 -1.534 0.799 -11.534 159 HE ARG 16 HE ARG 16 -2.700 -1.215 -12.255 160 1HH1 ARG 16 2HH2 ARG 16 -3.453 -2.059 -9.483 161 2HH1 ARG 16 1HH2 ARG 16 -2.435 -3.437 -9.195 162 1HH2 ARG 16 2HH1 ARG 16 -0.423 -2.775 -11.958 163 2HH2 ARG 16 1HH1 ARG 16 -0.767 -3.905 -10.683 164 QB ARG 16 QB ARG 16 0.454 1.414 -9.471 165 QG ARG 16 QG ARG 16 -0.410 -0.702 -9.638 166 QD ARG 16 QD ARG 16 -2.097 0.651 -10.873 167 QH1 ARG 16 QH2 ARG 16 -2.944 -2.748 -9.339 168 QH2 ARG 16 QH1 ARG 16 -0.595 -3.340 -11.320 169 H ALA 17 HN ALA 17 0.322 1.813 -6.269 170 HA ALA 17 HA ALA 17 -0.658 -0.650 -5.109 171 1HB ALA 17 3HB ALA 17 0.846 1.670 -3.845 172 2HB ALA 17 1HB ALA 17 0.610 0.096 -3.090 173 3HB ALA 17 2HB ALA 17 1.574 0.243 -4.559 174 QB ALA 17 QB ALA 17 1.010 0.670 -3.831 175 H LYS 18 HN LYS 18 -1.294 2.787 -4.543 176 HA LYS 18 HA LYS 18 -3.126 2.552 -2.369 177 1HB LYS 18 2HB LYS 18 -2.473 4.797 -3.185 178 2HB LYS 18 3HB LYS 18 -3.238 4.496 -4.739 179 1HG LYS 18 2HG LYS 18 -5.357 3.982 -3.084 180 2HG LYS 18 3HG LYS 18 -4.468 5.075 -2.056 181 1HD LYS 18 2HD LYS 18 -5.990 6.445 -3.258 182 2HD LYS 18 3HD LYS 18 -4.424 6.721 -3.999 183 1HE LYS 18 2HE LYS 18 -6.183 6.444 -5.715 184 2HE LYS 18 3HE LYS 18 -4.988 5.166 -5.831 185 1HZ LYS 18 3HZ LYS 18 -7.024 4.281 -4.098 186 2HZ LYS 18 1HZ LYS 18 -7.783 4.925 -5.460 187 3HZ LYS 18 2HZ LYS 18 -6.621 3.708 -5.660 188 QB LYS 18 QB LYS 18 -2.856 4.646 -3.962 189 QG LYS 18 QG LYS 18 -4.913 4.529 -2.570 190 QD LYS 18 QD LYS 18 -5.207 6.583 -3.628 191 QE LYS 18 QE LYS 18 -5.586 5.805 -5.773 192 QZ LYS 18 QZ LYS 18 -7.143 4.305 -5.073 193 H ASP 19 HN ASP 19 -3.579 2.527 -5.820 194 HA ASP 19 HA ASP 19 -6.357 1.982 -5.905 195 1HB ASP 19 2HB ASP 19 -4.185 1.086 -7.816 196 2HB ASP 19 3HB ASP 19 -5.891 1.158 -8.200 197 QB ASP 19 QB ASP 19 -5.038 1.122 -8.008 198 H LEU 20 HN LEU 20 -3.749 -0.461 -6.264 199 HA LEU 20 HA LEU 20 -5.340 -2.738 -6.186 200 1HB LEU 20 2HB LEU 20 -2.880 -2.836 -6.315 201 2HB LEU 20 3HB LEU 20 -2.755 -2.353 -4.635 202 HG LEU 20 HG LEU 20 -4.182 -4.414 -4.080 203 1HD1 LEU 20 1HD1 LEU 20 -3.455 -5.090 -6.952 204 2HD1 LEU 20 2HD1 LEU 20 -4.143 -6.227 -5.796 205 3HD1 LEU 20 3HD1 LEU 20 -5.081 -4.835 -6.327 206 1HD2 LEU 20 1HD2 LEU 20 -1.452 -4.856 -5.337 207 2HD2 LEU 20 2HD2 LEU 20 -1.762 -4.384 -3.668 208 3HD2 LEU 20 3HD2 LEU 20 -2.257 -5.972 -4.235 209 QB LEU 20 QB LEU 20 -2.817 -2.595 -5.475 210 QD1 LEU 20 QD1 LEU 20 -4.226 -5.384 -6.358 211 QD2 LEU 20 QD2 LEU 20 -1.824 -5.070 -4.413 212 QQD LEU 20 QQD LEU 20 -3.025 -5.227 -5.385 213 H ALA 21 HN ALA 21 -3.986 -1.171 -3.294 214 HA ALA 21 HA ALA 21 -5.377 -2.716 -1.354 215 1HB ALA 21 1HB ALA 21 -3.502 -1.201 -0.791 216 2HB ALA 21 2HB ALA 21 -4.512 0.189 -1.172 217 3HB ALA 21 3HB ALA 21 -4.913 -0.846 0.197 218 QB ALA 21 QB ALA 21 -4.309 -0.619 -0.589 219 H GLU 22 HN GLU 22 -6.293 0.271 -2.936 220 HA GLU 22 HA GLU 22 -8.727 0.741 -1.505 221 1HB GLU 22 2HB GLU 22 -7.558 2.452 -2.827 222 2HB GLU 22 3HB GLU 22 -7.825 1.522 -4.290 223 1HG GLU 22 2HG GLU 22 -10.251 1.805 -4.089 224 2HG GLU 22 3HG GLU 22 -10.037 2.681 -2.572 225 QB GLU 22 QB GLU 22 -7.692 1.987 -3.559 226 QG GLU 22 QG GLU 22 -10.144 2.243 -3.330 227 H LYS 23 HN LYS 23 -8.199 -0.536 -4.721 228 HA LYS 23 HA LYS 23 -10.808 -1.227 -5.424 229 1HB LYS 23 2HB LYS 23 -8.246 -1.574 -6.515 230 2HB LYS 23 3HB LYS 23 -8.811 -3.219 -6.295 231 1HG LYS 23 2HG LYS 23 -10.267 -0.999 -7.792 232 2HG LYS 23 3HG LYS 23 -9.447 -2.362 -8.534 233 1HD LYS 23 2HD LYS 23 -11.848 -2.591 -6.672 234 2HD LYS 23 3HD LYS 23 -11.934 -2.646 -8.421 235 1HE LYS 23 2HE LYS 23 -11.410 -4.833 -8.435 236 2HE LYS 23 3HE LYS 23 -9.931 -4.528 -7.537 237 1HZ LYS 23 2HZ LYS 23 -12.092 -4.308 -5.754 238 2HZ LYS 23 3HZ LYS 23 -12.266 -5.763 -6.643 239 3HZ LYS 23 1HZ LYS 23 -10.850 -5.454 -5.772 240 QB LYS 23 QB LYS 23 -8.529 -2.396 -6.405 241 QG LYS 23 QG LYS 23 -9.857 -1.681 -8.163 242 QD LYS 23 QD LYS 23 -11.891 -2.618 -7.547 243 QE LYS 23 QE LYS 23 -10.670 -4.681 -7.986 244 QZ LYS 23 QZ LYS 23 -11.736 -5.175 -6.056 245 H LEU 24 HN LEU 24 -8.347 -3.056 -3.667 246 HA LEU 24 HA LEU 24 -9.973 -5.377 -3.102 247 1HB LEU 24 2HB LEU 24 -7.585 -4.193 -1.622 248 2HB LEU 24 3HB LEU 24 -8.298 -5.752 -1.241 249 HG LEU 24 HG LEU 24 -7.322 -5.110 -4.046 250 1HD1 LEU 24 2HD1 LEU 24 -5.429 -4.846 -2.445 251 2HD1 LEU 24 3HD1 LEU 24 -5.783 -6.433 -1.779 252 3HD1 LEU 24 1HD1 LEU 24 -5.230 -6.284 -3.446 253 1HD2 LEU 24 1HD2 LEU 24 -8.846 -7.066 -3.715 254 2HD2 LEU 24 2HD2 LEU 24 -7.239 -7.591 -4.187 255 3HD2 LEU 24 3HD2 LEU 24 -7.747 -7.710 -2.507 256 QB LEU 24 QB LEU 24 -7.941 -4.972 -1.432 257 QD1 LEU 24 QD1 LEU 24 -5.481 -5.854 -2.557 258 QD2 LEU 24 QD2 LEU 24 -7.944 -7.455 -3.470 259 QQD LEU 24 QQD LEU 24 -6.712 -6.655 -3.013 260 H SER 25 HN SER 25 -9.250 -2.440 -1.300 261 HA SER 25 HA SER 25 -10.714 -2.812 1.035 262 1HB SER 25 2HB SER 25 -9.351 -0.744 0.489 263 2HB SER 25 3HB SER 25 -10.669 -0.207 -0.568 264 HG SER 25 HG SER 25 -10.621 -0.535 2.209 265 QB SER 25 QB SER 25 -10.010 -0.475 -0.039 266 H ASN 26 HN ASN 26 -11.898 -1.623 -2.081 267 HA ASN 26 HA ASN 26 -14.704 -1.622 -1.175 268 1HB ASN 26 2HB ASN 26 -13.792 0.094 -2.801 269 2HB ASN 26 3HB ASN 26 -13.577 -1.209 -3.970 270 1HD2 ASN 26 2HD2 ASN 26 -17.023 -1.360 -4.782 271 2HD2 ASN 26 1HD2 ASN 26 -15.510 -2.108 -4.958 272 QB ASN 26 QB ASN 26 -13.684 -0.557 -3.386 273 QD2 ASN 26 QD2 ASN 26 -16.267 -1.734 -4.870 274 H GLU 27 HN GLU 27 -13.286 -3.989 -1.061 275 HA GLU 27 HA GLU 27 -14.992 -5.724 -2.787 276 1HB GLU 27 2HB GLU 27 -12.270 -5.360 -3.146 277 2HB GLU 27 3HB GLU 27 -12.313 -6.803 -2.154 278 1HG GLU 27 2HG GLU 27 -13.606 -7.995 -3.747 279 2HG GLU 27 3HG GLU 27 -14.082 -6.526 -4.587 280 QB GLU 27 QB GLU 27 -12.291 -6.081 -2.650 281 QG GLU 27 QG GLU 27 -13.844 -7.261 -4.167 282 NH1 ARG 28 NH1 ARG 28 -10.263 -11.704 2.521 283 NH2 ARG 28 NH2 ARG 28 -9.862 -10.904 4.601 284 H ARG 28 HN ARG 28 -12.765 -5.689 -0.050 285 HA ARG 28 HA ARG 28 -14.409 -7.766 1.335 286 1HB ARG 28 2HB ARG 28 -11.630 -6.675 1.886 287 2HB ARG 28 3HB ARG 28 -12.450 -7.807 2.945 288 1HG ARG 28 2HG ARG 28 -12.574 -9.455 1.103 289 2HG ARG 28 3HG ARG 28 -11.769 -8.313 0.026 290 1HD ARG 28 2HD ARG 28 -10.117 -9.900 0.983 291 2HD ARG 28 3HD ARG 28 -9.798 -8.272 1.546 292 HE ARG 28 HE ARG 28 -10.976 -8.899 3.706 293 1HH1 ARG 28 2HH1 ARG 28 -10.636 -11.575 1.615 294 2HH1 ARG 28 1HH1 ARG 28 -9.834 -12.590 2.763 295 1HH2 ARG 28 2HH2 ARG 28 -9.921 -10.132 5.249 296 2HH2 ARG 28 1HH2 ARG 28 -9.492 -11.800 4.890 297 QB ARG 28 QB ARG 28 -12.040 -7.241 2.415 298 QG ARG 28 QG ARG 28 -12.171 -8.884 0.564 299 QD ARG 28 QD ARG 28 -9.957 -9.086 1.264 300 QH1 ARG 28 QH1 ARG 28 -10.235 -12.083 2.189 301 QH2 ARG 28 QH2 ARG 28 -9.706 -10.966 5.069 302 H ASP 29 HN ASP 29 -13.310 -4.469 1.624 303 HA ASP 29 HA ASP 29 -14.046 -2.713 2.941 304 1HB ASP 29 2HB ASP 29 -15.864 -4.639 4.411 305 2HB ASP 29 3HB ASP 29 -15.991 -2.892 4.335 306 QB ASP 29 QB ASP 29 -15.927 -3.765 4.373 307 H ASP 30 HN ASP 30 -12.174 -5.168 3.904 308 HA ASP 30 HA ASP 30 -11.972 -4.149 6.712 309 1HB ASP 30 2HB ASP 30 -10.870 -6.310 7.241 310 2HB ASP 30 3HB ASP 30 -12.477 -6.547 6.578 311 QB ASP 30 QB ASP 30 -11.674 -6.428 6.909 312 H PHE 31 HN PHE 31 -10.555 -3.443 3.929 313 HA PHE 31 HA PHE 31 -7.825 -3.232 5.158 314 1HB PHE 31 2HB PHE 31 -8.097 -4.917 3.241 315 2HB PHE 31 3HB PHE 31 -8.405 -3.543 2.194 316 HD1 PHE 31 2HD PHE 31 -5.918 -3.738 5.002 317 HD2 PHE 31 1HD PHE 31 -6.489 -3.590 0.771 318 HE1 PHE 31 2HE PHE 31 -3.497 -3.535 4.674 319 HE2 PHE 31 1HE PHE 31 -4.060 -3.480 0.467 320 HZ PHE 31 HZ PHE 31 -2.563 -3.400 2.416 321 QB PHE 31 QB PHE 31 -8.251 -4.230 2.717 322 QR PHE 31 QR PHE 31 -4.991 -3.586 2.729 323 H GLN 32 HN GLN 32 -6.791 -1.264 4.975 324 HA GLN 32 HA GLN 32 -8.234 0.910 3.456 325 1HB GLN 32 2HB GLN 32 -6.671 1.341 6.022 326 2HB GLN 32 3HB GLN 32 -7.776 2.457 5.237 327 1HG GLN 32 2HG GLN 32 -9.091 1.602 6.994 328 2HG GLN 32 3HG GLN 32 -9.575 0.595 5.636 329 1HE2 GLN 32 2HE2 GLN 32 -8.633 -2.330 7.339 330 2HE2 GLN 32 1HE2 GLN 32 -9.705 -1.549 6.272 331 QB GLN 32 QB GLN 32 -7.224 1.899 5.630 332 QG GLN 32 QG GLN 32 -9.333 1.098 6.315 333 QE2 GLN 32 QE2 GLN 32 -9.169 -1.940 6.805 334 OH TYR 33 OH TYR 33 -8.656 6.061 -1.275 335 H TYR 33 HN TYR 33 -6.711 2.901 3.058 336 HA TYR 33 HA TYR 33 -3.862 2.109 2.776 337 1HB TYR 33 2HB TYR 33 -3.778 2.774 0.433 338 2HB TYR 33 3HB TYR 33 -5.004 1.526 0.643 339 HD1 TYR 33 HD2 TYR 33 -4.558 5.236 0.435 340 HD2 TYR 33 HD1 TYR 33 -7.250 1.962 0.007 341 HE1 TYR 33 HE2 TYR 33 -6.259 6.744 -0.473 342 HE2 TYR 33 HE1 TYR 33 -8.944 3.485 -0.906 343 HH TYR 33 HH TYR 33 -8.974 5.663 -2.101 344 QB TYR 33 QB TYR 33 -4.391 2.150 0.538 345 QR TYR 33 QR TYR 33 -6.753 4.357 -0.234 346 H GLN 34 HN GLN 34 -2.491 3.857 2.053 347 HA GLN 34 HA GLN 34 -3.343 6.645 2.511 348 1HB GLN 34 2HB GLN 34 -1.229 5.175 4.119 349 2HB GLN 34 3HB GLN 34 -1.094 6.907 3.848 350 1HG GLN 34 2HG GLN 34 -3.449 5.514 5.134 351 2HG GLN 34 3HG GLN 34 -2.226 6.435 5.987 352 1HE2 GLN 34 2HE2 GLN 34 -5.279 8.344 4.197 353 2HE2 GLN 34 1HE2 GLN 34 -5.164 6.649 4.215 354 QB GLN 34 QB GLN 34 -1.161 6.041 3.983 355 QG GLN 34 QG GLN 34 -2.838 5.975 5.560 356 QE2 GLN 34 QE2 GLN 34 -5.222 7.497 4.206 357 OH TYR 35 OH TYR 35 2.838 9.127 -5.024 358 H TYR 35 HN TYR 35 -2.435 7.878 0.974 359 HA TYR 35 HA TYR 35 -0.028 6.767 -0.426 360 1HB TYR 35 2HB TYR 35 -1.986 6.921 -1.920 361 2HB TYR 35 3HB TYR 35 -2.182 8.631 -1.521 362 HD1 TYR 35 HD2 TYR 35 0.211 6.144 -2.923 363 HD2 TYR 35 HD1 TYR 35 -0.806 10.274 -2.634 364 HE1 TYR 35 HE2 TYR 35 2.109 6.727 -4.362 365 HE2 TYR 35 HE1 TYR 35 1.102 10.836 -4.064 366 HH TYR 35 HH TYR 35 3.336 9.795 -4.536 367 QB TYR 35 QB TYR 35 -2.084 7.776 -1.720 368 QR TYR 35 QR TYR 35 0.654 8.495 -3.496 369 H VAL 36 HN VAL 36 1.754 7.811 0.328 370 HA VAL 36 HA VAL 36 1.506 10.747 0.863 371 HB VAL 36 HB VAL 36 3.541 9.025 2.274 372 1HG1 VAL 36 3HG1 VAL 36 1.950 11.472 3.089 373 2HG1 VAL 36 1HG1 VAL 36 3.153 10.663 4.087 374 3HG1 VAL 36 2HG1 VAL 36 3.642 11.436 2.589 375 1HG2 VAL 36 3HG2 VAL 36 0.634 9.244 3.133 376 2HG2 VAL 36 1HG2 VAL 36 1.459 7.775 2.620 377 3HG2 VAL 36 2HG2 VAL 36 1.939 8.576 4.109 378 QG1 VAL 36 QG1 VAL 36 2.915 11.191 3.255 379 QG2 VAL 36 QG2 VAL 36 1.344 8.532 3.287 380 QQG VAL 36 QQG VAL 36 2.130 9.861 3.271 381 H ASP 37 HN ASP 37 3.441 11.936 0.540 382 HA ASP 37 HA ASP 37 5.250 10.776 -1.538 383 1HB ASP 37 2HB ASP 37 4.662 12.647 -2.714 384 2HB ASP 37 3HB ASP 37 3.817 13.325 -1.330 385 QB ASP 37 QB ASP 37 4.240 12.986 -2.022 386 H ILE 38 HN ILE 38 7.449 10.857 -1.073 387 HA ILE 38 HA ILE 38 8.215 10.731 1.620 388 HB ILE 38 HB ILE 38 10.565 10.970 0.816 389 1HG1 ILE 38 2HG1 ILE 38 9.239 11.477 -1.877 390 2HG1 ILE 38 3HG1 ILE 38 10.116 12.685 -0.947 391 1HG2 ILE 38 2HG2 ILE 38 9.285 8.824 0.735 392 2HG2 ILE 38 3HG2 ILE 38 8.762 9.210 -0.905 393 3HG2 ILE 38 1HG2 ILE 38 10.466 8.929 -0.560 394 1HD1 ILE 38 3HD1 ILE 38 12.168 11.260 -1.069 395 2HD1 ILE 38 1HD1 ILE 38 11.279 10.098 -2.051 396 3HD1 ILE 38 2HD1 ILE 38 11.582 11.714 -2.667 397 QG1 ILE 38 QG1 ILE 38 9.678 12.081 -1.412 398 QG2 ILE 38 QG2 ILE 38 9.504 8.988 -0.243 399 QD1 ILE 38 QD1 ILE 38 11.676 11.024 -1.929 400 NH1 ARG 39 NH2 ARG 39 8.857 19.956 4.012 401 NH2 ARG 39 NH1 ARG 39 7.112 20.673 2.712 402 H ARG 39 HN ARG 39 8.054 13.672 -0.352 403 HA ARG 39 HA ARG 39 9.624 15.199 1.596 404 1HB ARG 39 2HB ARG 39 9.341 15.930 -0.791 405 2HB ARG 39 3HB ARG 39 7.654 16.275 -0.452 406 1HG ARG 39 2HG ARG 39 9.761 17.505 1.327 407 2HG ARG 39 3HG ARG 39 9.510 18.187 -0.267 408 1HD ARG 39 2HD ARG 39 7.797 19.383 0.587 409 2HD ARG 39 3HD ARG 39 6.907 17.878 0.790 410 HE ARG 39 HE ARG 39 7.840 17.759 3.129 411 1HH1 ARG 39 2HH2 ARG 39 9.475 19.215 4.274 412 2HH1 ARG 39 1HH2 ARG 39 8.937 20.848 4.459 413 1HH2 ARG 39 2HH1 ARG 39 6.424 20.458 2.021 414 2HH2 ARG 39 1HH1 ARG 39 7.146 21.592 3.107 415 QB ARG 39 QB ARG 39 8.498 16.102 -0.621 416 QG ARG 39 QG ARG 39 9.635 17.846 0.530 417 QD ARG 39 QD ARG 39 7.352 18.630 0.689 418 QH1 ARG 39 QH2 ARG 39 9.206 20.031 4.367 419 QH2 ARG 39 QH1 ARG 39 6.785 21.025 2.564 420 H ALA 40 HN ALA 40 6.171 14.999 0.863 421 HA ALA 40 HA ALA 40 4.895 16.686 2.536 422 1HB ALA 40 2HB ALA 40 4.341 13.700 2.382 423 2HB ALA 40 3HB ALA 40 3.189 14.913 2.930 424 3HB ALA 40 1HB ALA 40 3.744 14.917 1.260 425 QB ALA 40 QB ALA 40 3.758 14.510 2.190 426 H GLU 41 HN GLU 41 6.194 13.603 3.679 427 HA GLU 41 HA GLU 41 5.744 14.284 6.505 428 1HB GLU 41 2HB GLU 41 7.391 11.980 5.396 429 2HB GLU 41 3HB GLU 41 6.631 12.075 6.973 430 1HG GLU 41 2HG GLU 41 4.409 11.946 5.966 431 2HG GLU 41 3HG GLU 41 5.097 12.042 4.349 432 QB GLU 41 QB GLU 41 7.011 12.027 6.185 433 QG GLU 41 QG GLU 41 4.753 11.994 5.158 434 H GLY 42 HN GLY 42 8.519 13.894 4.365 435 1HA GLY 42 1HA GLY 42 10.440 15.460 4.642 436 2HA GLY 42 2HA GLY 42 10.232 15.304 6.391 437 QA GLY 42 QA GLY 42 10.336 15.382 5.516 438 H ILE 43 HN ILE 43 10.262 13.020 3.726 439 HA ILE 43 HA ILE 43 12.193 11.299 5.195 440 HB ILE 43 HB ILE 43 10.190 10.749 2.965 441 1HG1 ILE 43 2HG1 ILE 43 10.112 9.728 5.815 442 2HG1 ILE 43 3HG1 ILE 43 9.346 11.239 5.354 443 1HG2 ILE 43 3HG2 ILE 43 12.155 9.225 2.861 444 2HG2 ILE 43 1HG2 ILE 43 11.885 8.790 4.541 445 3HG2 ILE 43 2HG2 ILE 43 10.692 8.377 3.325 446 1HD1 ILE 43 3HD1 ILE 43 8.740 8.534 4.084 447 2HD1 ILE 43 1HD1 ILE 43 7.737 9.344 5.272 448 3HD1 ILE 43 2HD1 ILE 43 7.957 10.058 3.684 449 QG1 ILE 43 QG1 ILE 43 9.729 10.484 5.584 450 QG2 ILE 43 QG2 ILE 43 11.577 8.797 3.576 451 QD1 ILE 43 QD1 ILE 43 8.145 9.312 4.347 452 H THR 44 HN THR 44 14.125 10.722 4.220 453 HA THR 44 HA THR 44 14.638 11.788 1.466 454 HB THR 44 HB THR 44 17.118 11.755 2.255 455 HG1 THR 44 1HG THR 44 17.439 11.148 4.293 456 1HG2 THR 44 1HG2 THR 44 15.732 13.900 2.307 457 2HG2 THR 44 2HG2 THR 44 15.239 13.480 3.945 458 3HG2 THR 44 3HG2 THR 44 16.931 13.823 3.593 459 QG2 THR 44 QG2 THR 44 15.967 13.735 3.282 460 H LYS 45 HN LYS 45 16.656 9.658 3.298 461 HA LYS 45 HA LYS 45 15.824 7.278 1.703 462 1HB LYS 45 2HB LYS 45 17.739 8.234 0.448 463 2HB LYS 45 3HB LYS 45 18.701 8.305 1.921 464 1HG LYS 45 2HG LYS 45 18.260 5.740 2.093 465 2HG LYS 45 3HG LYS 45 17.756 5.851 0.412 466 1HD LYS 45 2HD LYS 45 19.907 6.374 -0.338 467 2HD LYS 45 3HD LYS 45 20.375 7.089 1.199 468 1HE LYS 45 2HE LYS 45 21.540 4.971 0.924 469 2HE LYS 45 3HE LYS 45 20.379 4.825 2.235 470 1HZ LYS 45 2HZ LYS 45 19.128 4.080 -0.200 471 2HZ LYS 45 3HZ LYS 45 20.600 3.272 -0.058 472 3HZ LYS 45 1HZ LYS 45 19.446 3.124 1.152 473 QB LYS 45 QB LYS 45 18.220 8.270 1.184 474 QG LYS 45 QG LYS 45 18.008 5.795 1.252 475 QD LYS 45 QD LYS 45 20.141 6.732 0.430 476 QE LYS 45 QE LYS 45 20.959 4.898 1.580 477 QZ LYS 45 QZ LYS 45 19.724 3.492 0.298 478 H GLU 46 HN GLU 46 17.964 8.563 4.194 479 HA GLU 46 HA GLU 46 18.635 6.228 5.587 480 1HB GLU 46 2HB GLU 46 17.942 8.962 6.735 481 2HB GLU 46 3HB GLU 46 18.766 7.697 7.631 482 1HG GLU 46 2HG GLU 46 20.397 9.330 6.726 483 2HG GLU 46 3HG GLU 46 20.642 7.751 5.994 484 QB GLU 46 QB GLU 46 18.354 8.329 7.183 485 QG GLU 46 QG GLU 46 20.519 8.540 6.360 486 H ASP 47 HN ASP 47 15.836 8.312 6.237 487 HA ASP 47 HA ASP 47 14.535 6.723 8.182 488 1HB ASP 47 2HB ASP 47 13.731 8.985 7.597 489 2HB ASP 47 3HB ASP 47 13.279 8.437 5.992 490 QB ASP 47 QB ASP 47 13.505 8.711 6.794 491 H LEU 48 HN LEU 48 13.762 6.826 4.713 492 HA LEU 48 HA LEU 48 12.049 4.591 4.687 493 1HB LEU 48 2HB LEU 48 13.636 6.103 2.705 494 2HB LEU 48 3HB LEU 48 13.271 4.467 2.191 495 HG LEU 48 HG LEU 48 11.187 6.393 3.315 496 1HD1 LEU 48 1HD1 LEU 48 12.109 7.272 1.182 497 2HD1 LEU 48 2HD1 LEU 48 11.766 5.730 0.406 498 3HD1 LEU 48 3HD1 LEU 48 10.444 6.736 0.989 499 1HD2 LEU 48 1HD2 LEU 48 10.929 3.785 1.765 500 2HD2 LEU 48 2HD2 LEU 48 10.583 3.999 3.477 501 3HD2 LEU 48 3HD2 LEU 48 9.587 4.802 2.272 502 QB LEU 48 QB LEU 48 13.453 5.285 2.448 503 QD1 LEU 48 QD1 LEU 48 11.440 6.579 0.859 504 QD2 LEU 48 QD2 LEU 48 10.366 4.195 2.505 505 QQD LEU 48 QQD LEU 48 10.903 5.387 1.682 506 H GLN 49 HN GLN 49 15.536 4.694 4.483 507 HA GLN 49 HA GLN 49 16.086 1.965 3.944 508 1HB GLN 49 2HB GLN 49 17.630 4.194 4.564 509 2HB GLN 49 3HB GLN 49 17.801 3.247 6.022 510 1HG GLN 49 2HG GLN 49 19.565 2.569 4.506 511 2HG GLN 49 3HG GLN 49 18.389 1.260 4.564 512 1HE2 GLN 49 2HE2 GLN 49 17.430 3.339 1.271 513 2HE2 GLN 49 1HE2 GLN 49 17.086 3.922 2.835 514 QB GLN 49 QB GLN 49 17.716 3.720 5.293 515 QG GLN 49 QG GLN 49 18.977 1.914 4.535 516 QE2 GLN 49 QE2 GLN 49 17.258 3.631 2.053 517 H GLN 50 HN GLN 50 15.813 3.704 6.951 518 HA GLN 50 HA GLN 50 15.927 1.575 8.800 519 1HB GLN 50 2HB GLN 50 16.028 4.066 9.252 520 2HB GLN 50 3HB GLN 50 14.297 4.129 9.005 521 1HG GLN 50 2HG GLN 50 14.012 2.452 10.853 522 2HG GLN 50 3HG GLN 50 15.743 2.576 11.166 523 1HE2 GLN 50 2HE2 GLN 50 13.404 5.896 11.826 524 2HE2 GLN 50 1HE2 GLN 50 12.949 4.777 10.634 525 QB GLN 50 QB GLN 50 15.163 4.098 9.129 526 QG GLN 50 QG GLN 50 14.877 2.514 11.010 527 QE2 GLN 50 QE2 GLN 50 13.177 5.336 11.230 528 H LYS 51 HN LYS 51 13.119 3.099 7.308 529 HA LYS 51 HA LYS 51 11.060 1.572 8.508 530 1HB LYS 51 2HB LYS 51 11.172 2.687 5.674 531 2HB LYS 51 3HB LYS 51 9.711 2.198 6.511 532 1HG LYS 51 2HG LYS 51 11.562 4.321 7.629 533 2HG LYS 51 3HG LYS 51 10.267 4.709 6.513 534 1HD LYS 51 2HD LYS 51 8.601 3.792 8.058 535 2HD LYS 51 3HD LYS 51 9.868 3.208 9.133 536 1HE LYS 51 2HE LYS 51 8.890 5.335 9.953 537 2HE LYS 51 3HE LYS 51 10.600 5.502 9.582 538 1HZ LYS 51 1HZ LYS 51 9.276 6.111 7.248 539 2HZ LYS 51 2HZ LYS 51 8.420 6.915 8.474 540 3HZ LYS 51 3HZ LYS 51 10.091 7.176 8.275 541 QB LYS 51 QB LYS 51 10.442 2.443 6.092 542 QG LYS 51 QG LYS 51 10.915 4.515 7.071 543 QD LYS 51 QD LYS 51 9.234 3.500 8.595 544 QE LYS 51 QE LYS 51 9.745 5.419 9.767 545 QZ LYS 51 QZ LYS 51 9.263 6.734 7.999 546 H ALA 52 HN ALA 52 12.749 1.046 5.456 547 HA ALA 52 HA ALA 52 11.456 -1.399 4.757 548 1HB ALA 52 3HB ALA 52 14.185 -0.301 3.996 549 2HB ALA 52 1HB ALA 52 13.390 -1.645 3.187 550 3HB ALA 52 2HB ALA 52 12.679 -0.035 3.123 551 QB ALA 52 QB ALA 52 13.418 -0.660 3.435 552 H GLY 53 HN GLY 53 14.669 -0.852 6.169 553 1HA GLY 53 1HA GLY 53 15.490 -2.253 8.008 554 2HA GLY 53 2HA GLY 53 14.491 -3.572 7.399 555 QA GLY 53 QA GLY 53 14.991 -2.913 7.704 556 H LYS 54 HN LYS 54 15.453 -2.509 4.645 557 HA LYS 54 HA LYS 54 18.097 -3.899 4.686 558 1HB LYS 54 2HB LYS 54 17.468 -4.971 2.563 559 2HB LYS 54 3HB LYS 54 16.258 -5.310 3.781 560 1HG LYS 54 2HG LYS 54 14.707 -3.785 2.846 561 2HG LYS 54 3HG LYS 54 15.946 -2.968 1.899 562 1HD LYS 54 2HD LYS 54 16.267 -5.039 0.552 563 2HD LYS 54 3HD LYS 54 15.026 -5.845 1.502 564 1HE LYS 54 2HE LYS 54 14.152 -4.967 -0.665 565 2HE LYS 54 3HE LYS 54 13.336 -4.268 0.730 566 1HZ LYS 54 1HZ LYS 54 15.610 -2.691 0.077 567 2HZ LYS 54 2HZ LYS 54 14.651 -2.921 -1.309 568 3HZ LYS 54 3HZ LYS 54 13.965 -2.258 0.086 569 QB LYS 54 QB LYS 54 16.863 -5.141 3.172 570 QG LYS 54 QG LYS 54 15.326 -3.377 2.373 571 QD LYS 54 QD LYS 54 15.646 -5.442 1.027 572 QE LYS 54 QE LYS 54 13.744 -4.617 0.033 573 QZ LYS 54 QZ LYS 54 14.742 -2.623 -0.382 574 HA PRO 55 HA PRO 55 19.617 -0.656 1.875 575 1HB PRO 55 2HB PRO 55 19.878 -2.707 -0.292 576 2HB PRO 55 3HB PRO 55 21.070 -1.540 0.301 577 1HG PRO 55 2HG PRO 55 21.231 -4.163 0.981 578 2HG PRO 55 3HG PRO 55 21.677 -2.892 2.128 579 1HD PRO 55 2HD PRO 55 19.204 -4.578 2.042 580 2HD PRO 55 3HD PRO 55 20.056 -3.921 3.457 581 QB PRO 55 QB PRO 55 20.474 -2.123 0.004 582 QG PRO 55 QG PRO 55 21.454 -3.528 1.555 583 QD PRO 55 QD PRO 55 19.630 -4.250 2.749 584 H VAL 56 HN VAL 56 18.758 0.704 0.435 585 HA VAL 56 HA VAL 56 16.584 0.017 -1.385 586 HB VAL 56 HB VAL 56 15.967 2.179 0.542 587 1HG1 VAL 56 2HG1 VAL 56 14.638 1.960 -1.506 588 2HG1 VAL 56 3HG1 VAL 56 14.256 0.295 -1.079 589 3HG1 VAL 56 1HG1 VAL 56 13.655 1.612 -0.087 590 1HG2 VAL 56 1HG2 VAL 56 15.302 -0.729 1.040 591 2HG2 VAL 56 2HG2 VAL 56 16.358 0.272 2.026 592 3HG2 VAL 56 3HG2 VAL 56 14.636 0.625 1.941 593 QG1 VAL 56 QG1 VAL 56 14.183 1.289 -0.891 594 QG2 VAL 56 QG2 VAL 56 15.432 0.056 1.669 595 QQG VAL 56 QQG VAL 56 14.808 0.673 0.389 596 H GLU 57 HN GLU 57 17.752 0.897 -3.068 597 HA GLU 57 HA GLU 57 18.680 3.718 -2.735 598 1HB GLU 57 2HB GLU 57 19.499 1.883 -4.994 599 2HB GLU 57 3HB GLU 57 20.329 3.307 -4.387 600 1HG GLU 57 2HG GLU 57 20.102 0.590 -3.043 601 2HG GLU 57 3HG GLU 57 21.565 1.377 -3.612 602 QB GLU 57 QB GLU 57 19.914 2.595 -4.691 603 QG GLU 57 QG GLU 57 20.833 0.983 -3.327 604 H THR 58 HN THR 58 16.337 1.792 -4.315 605 HA THR 58 HA THR 58 15.762 4.042 -6.213 606 HB THR 58 HB THR 58 15.187 1.072 -6.731 607 HG1 THR 58 1HG THR 58 17.450 2.553 -6.740 608 1HG2 THR 58 1HG2 THR 58 15.451 3.491 -8.584 609 2HG2 THR 58 2HG2 THR 58 15.122 1.838 -9.087 610 3HG2 THR 58 3HG2 THR 58 13.916 2.728 -8.172 611 QG2 THR 58 QG2 THR 58 14.830 2.686 -8.614 612 H VAL 59 HN VAL 59 13.383 3.931 -6.939 613 HA VAL 59 HA VAL 59 11.675 3.589 -4.511 614 HB VAL 59 HB VAL 59 10.141 5.206 -5.708 615 1HG1 VAL 59 2HG1 VAL 59 13.024 6.148 -5.482 616 2HG1 VAL 59 3HG1 VAL 59 11.608 7.193 -5.516 617 3HG1 VAL 59 1HG1 VAL 59 11.862 6.097 -4.163 618 1HG2 VAL 59 2HG2 VAL 59 10.799 4.570 -8.018 619 2HG2 VAL 59 3HG2 VAL 59 10.935 6.303 -7.754 620 3HG2 VAL 59 1HG2 VAL 59 12.380 5.304 -7.762 621 QG1 VAL 59 QG1 VAL 59 12.165 6.479 -5.054 622 QG2 VAL 59 QG2 VAL 59 11.372 5.392 -7.845 623 QQG VAL 59 QQG VAL 59 11.768 5.936 -6.449 624 HA PRO 60 HA PRO 60 9.553 3.952 -4.320 625 1HB PRO 60 2HB PRO 60 6.931 3.175 -4.219 626 2HB PRO 60 3HB PRO 60 7.534 4.348 -5.394 627 1HG PRO 60 2HG PRO 60 6.623 1.572 -5.865 628 2HG PRO 60 3HG PRO 60 6.864 2.871 -7.036 629 1HD PRO 60 2HD PRO 60 8.679 0.659 -6.378 630 2HD PRO 60 3HD PRO 60 8.819 1.849 -7.689 631 QB PRO 60 QB PRO 60 7.233 3.761 -4.806 632 QG PRO 60 QG PRO 60 6.744 2.222 -6.451 633 QD PRO 60 QD PRO 60 8.749 1.254 -7.034 634 H GLN 61 HN GLN 61 8.298 3.376 -2.184 635 HA GLN 61 HA GLN 61 8.883 0.523 -1.484 636 1HB GLN 61 2HB GLN 61 9.355 2.947 0.265 637 2HB GLN 61 3HB GLN 61 9.581 1.271 0.757 638 1HG GLN 61 2HG GLN 61 11.059 2.623 -1.534 639 2HG GLN 61 3HG GLN 61 11.726 2.328 0.062 640 1HE2 GLN 61 2HE2 GLN 61 12.147 -0.542 -2.609 641 2HE2 GLN 61 1HE2 GLN 61 12.014 1.118 -2.926 642 QB GLN 61 QB GLN 61 9.468 2.109 0.511 643 QG GLN 61 QG GLN 61 11.392 2.475 -0.736 644 QE2 GLN 61 QE2 GLN 61 12.080 0.288 -2.768 645 H ILE 62 HN ILE 62 7.292 -0.488 -0.273 646 HA ILE 62 HA ILE 62 4.940 1.204 0.513 647 HB ILE 62 HB ILE 62 4.895 -1.603 -0.649 648 1HG1 ILE 62 2HG1 ILE 62 4.053 1.068 -1.833 649 2HG1 ILE 62 3HG1 ILE 62 5.429 0.089 -2.338 650 1HG2 ILE 62 1HG2 ILE 62 3.084 -1.187 1.007 651 2HG2 ILE 62 2HG2 ILE 62 2.611 0.259 0.122 652 3HG2 ILE 62 3HG2 ILE 62 2.431 -1.334 -0.616 653 1HD1 ILE 62 2HD1 ILE 62 3.866 -1.780 -2.884 654 2HD1 ILE 62 3HD1 ILE 62 2.510 -0.727 -2.483 655 3HD1 ILE 62 1HD1 ILE 62 3.555 -0.327 -3.838 656 QG1 ILE 62 QG1 ILE 62 4.741 0.579 -2.086 657 QG2 ILE 62 QG2 ILE 62 2.709 -0.754 0.171 658 QD1 ILE 62 QD1 ILE 62 3.310 -0.945 -3.068 659 H PHE 63 HN PHE 63 3.881 0.671 2.337 660 HA PHE 63 HA PHE 63 4.968 -1.546 4.017 661 1HB PHE 63 2HB PHE 63 4.651 1.358 4.837 662 2HB PHE 63 3HB PHE 63 4.822 0.044 6.004 663 HD1 PHE 63 2HD PHE 63 6.511 1.695 3.114 664 HD2 PHE 63 1HD PHE 63 6.949 -0.944 6.426 665 HE1 PHE 63 2HE PHE 63 8.946 1.645 2.764 666 HE2 PHE 63 1HE PHE 63 9.357 -1.048 6.018 667 HZ PHE 63 HZ PHE 63 10.361 0.257 4.185 668 QB PHE 63 QB PHE 63 4.736 0.701 5.420 669 QR PHE 63 QR PHE 63 7.941 0.337 4.581 670 H VAL 64 HN VAL 64 3.535 -2.059 5.821 671 HA VAL 64 HA VAL 64 0.661 -1.308 5.446 672 HB VAL 64 HB VAL 64 1.857 -4.109 5.392 673 1HG1 VAL 64 3HG1 VAL 64 -1.075 -3.339 5.659 674 2HG1 VAL 64 1HG1 VAL 64 -0.457 -4.964 5.412 675 3HG1 VAL 64 2HG1 VAL 64 -0.105 -4.120 6.907 676 1HG2 VAL 64 2HG2 VAL 64 1.705 -2.924 3.216 677 2HG2 VAL 64 3HG2 VAL 64 0.607 -4.299 3.277 678 3HG2 VAL 64 1HG2 VAL 64 -0.014 -2.665 3.484 679 QG1 VAL 64 QG1 VAL 64 -0.546 -4.141 5.993 680 QG2 VAL 64 QG2 VAL 64 0.766 -3.296 3.326 681 QQG VAL 64 QQG VAL 64 0.110 -3.719 4.659 682 H ASP 65 HN ASP 65 -0.046 -0.733 7.538 683 HA ASP 65 HA ASP 65 0.003 -0.594 9.910 684 1HB ASP 65 2HB ASP 65 0.214 -3.566 9.352 685 2HB ASP 65 3HB ASP 65 0.137 -2.952 11.001 686 QB ASP 65 QB ASP 65 0.176 -3.259 10.177 687 H GLN 66 HN GLN 66 1.935 -3.325 10.319 688 HA GLN 66 HA GLN 66 4.331 -1.706 11.003 689 1HB GLN 66 2HB GLN 66 4.728 -3.350 12.880 690 2HB GLN 66 3HB GLN 66 3.284 -2.372 13.097 691 1HG GLN 66 2HG GLN 66 1.871 -4.216 12.270 692 2HG GLN 66 3HG GLN 66 3.296 -5.193 11.944 693 1HE2 GLN 66 2HE2 GLN 66 1.786 -5.068 15.688 694 2HE2 GLN 66 1HE2 GLN 66 1.037 -4.256 14.399 695 QB GLN 66 QB GLN 66 4.006 -2.861 12.989 696 QG GLN 66 QG GLN 66 2.583 -4.705 12.107 697 QE2 GLN 66 QE2 GLN 66 1.411 -4.662 15.044 698 H GLN 67 HN GLN 67 3.650 -3.161 8.575 699 HA GLN 67 HA GLN 67 5.800 -5.212 8.517 700 1HB GLN 67 2HB GLN 67 3.093 -5.008 7.192 701 2HB GLN 67 3HB GLN 67 4.359 -5.927 6.428 702 1HG GLN 67 2HG GLN 67 4.584 -7.214 8.636 703 2HG GLN 67 3HG GLN 67 3.094 -6.416 9.133 704 1HE2 GLN 67 2HE2 GLN 67 1.152 -8.783 7.361 705 2HE2 GLN 67 1HE2 GLN 67 1.275 -7.711 8.680 706 QB GLN 67 QB GLN 67 3.726 -5.467 6.810 707 QG GLN 67 QG GLN 67 3.839 -6.815 8.884 708 QE2 GLN 67 QE2 GLN 67 1.214 -8.247 8.021 709 H HIS 68 HN HIS 68 6.773 -5.450 6.378 710 HA HIS 68 HA HIS 68 6.898 -2.882 4.846 711 1HB HIS 68 2HB HIS 68 8.952 -3.174 6.114 712 2HB HIS 68 3HB HIS 68 9.092 -4.828 5.581 713 HD1 HIS 68 HD1 HIS 68 11.438 -4.003 4.740 714 HD2 HIS 68 HD2 HIS 68 8.316 -2.331 2.645 715 HE1 HIS 68 HE1 HIS 68 12.337 -3.363 2.475 716 QB HIS 68 QB HIS 68 9.022 -4.001 5.847 717 H ILE 69 HN ILE 69 6.353 -3.159 2.755 718 HA ILE 69 HA ILE 69 6.139 -5.945 1.684 719 HB ILE 69 HB ILE 69 5.132 -3.388 0.388 720 1HG1 ILE 69 2HG1 ILE 69 4.093 -3.390 2.577 721 2HG1 ILE 69 3HG1 ILE 69 2.891 -3.902 1.403 722 1HG2 ILE 69 1HG2 ILE 69 4.270 -6.288 0.129 723 2HG2 ILE 69 2HG2 ILE 69 3.537 -4.923 -0.707 724 3HG2 ILE 69 3HG2 ILE 69 5.201 -5.375 -1.054 725 1HD1 ILE 69 2HD1 ILE 69 3.328 -6.276 1.997 726 2HD1 ILE 69 3HD1 ILE 69 4.504 -5.759 3.197 727 3HD1 ILE 69 1HD1 ILE 69 2.803 -5.351 3.395 728 QG1 ILE 69 QG1 ILE 69 3.492 -3.646 1.990 729 QG2 ILE 69 QG2 ILE 69 4.336 -5.529 -0.544 730 QD1 ILE 69 QD1 ILE 69 3.545 -5.796 2.863 731 H GLY 70 HN GLY 70 7.109 -2.695 0.750 732 1HA GLY 70 1HA GLY 70 9.416 -2.318 -0.091 733 2HA GLY 70 2HA GLY 70 9.341 -3.904 -0.847 734 QA GLY 70 QA GLY 70 9.378 -3.111 -0.469 735 H GLY 71 HN GLY 71 8.392 -4.108 -2.852 736 1HA GLY 71 1HA GLY 71 7.687 -1.509 -4.161 737 2HA GLY 71 2HA GLY 71 8.342 -2.907 -5.009 738 QA GLY 71 QA GLY 71 8.014 -2.208 -4.585 739 OH TYR 72 OH TYR 72 -1.078 -4.454 -8.621 740 H TYR 72 HN TYR 72 6.061 -1.642 -5.883 741 HA TYR 72 HA TYR 72 3.580 -2.593 -4.963 742 1HB TYR 72 2HB TYR 72 3.588 -0.908 -6.673 743 2HB TYR 72 3HB TYR 72 4.499 -1.939 -7.778 744 HD1 TYR 72 HD2 TYR 72 1.225 -1.467 -6.124 745 HD2 TYR 72 HD1 TYR 72 3.362 -3.673 -9.061 746 HE1 TYR 72 HE2 TYR 72 -0.848 -2.590 -6.784 747 HE2 TYR 72 HE1 TYR 72 1.287 -4.802 -9.725 748 HH TYR 72 HH TYR 72 -1.218 -5.150 -7.954 749 QB TYR 72 QB TYR 72 4.043 -1.424 -7.225 750 QR TYR 72 QR TYR 72 1.257 -3.133 -7.924 751 H THR 73 HN THR 73 5.617 -4.111 -7.480 752 HA THR 73 HA THR 73 4.104 -6.245 -8.251 753 HB THR 73 HB THR 73 6.537 -7.520 -7.923 754 HG1 THR 73 1HG THR 73 7.758 -6.043 -6.964 755 1HG2 THR 73 1HG2 THR 73 5.516 -6.785 -10.149 756 2HG2 THR 73 2HG2 THR 73 6.101 -5.157 -9.817 757 3HG2 THR 73 3HG2 THR 73 7.247 -6.473 -10.047 758 QG2 THR 73 QG2 THR 73 6.288 -6.138 -10.004 759 H ASP 74 HN ASP 74 6.217 -6.618 -5.404 760 HA ASP 74 HA ASP 74 5.145 -9.144 -4.648 761 1HB ASP 74 2HB ASP 74 7.252 -8.364 -3.707 762 2HB ASP 74 3HB ASP 74 6.443 -7.002 -2.930 763 QB ASP 74 QB ASP 74 6.847 -7.683 -3.319 764 H PHE 75 HN PHE 75 4.134 -5.869 -3.764 765 HA PHE 75 HA PHE 75 2.382 -6.338 -1.672 766 1HB PHE 75 2HB PHE 75 2.777 -4.114 -2.830 767 2HB PHE 75 3HB PHE 75 1.675 -4.635 -4.090 768 HD1 PHE 75 2HD PHE 75 0.678 -5.812 -0.803 769 HD2 PHE 75 1HD PHE 75 0.460 -2.466 -3.446 770 HE1 PHE 75 2HE PHE 75 -1.076 -4.832 0.578 771 HE2 PHE 75 1HE PHE 75 -1.303 -1.497 -2.042 772 HZ PHE 75 HZ PHE 75 -2.075 -2.687 -0.033 773 QB PHE 75 QB PHE 75 2.226 -4.374 -3.460 774 QR PHE 75 QR PHE 75 -0.311 -3.652 -1.428 775 H ALA 76 HN ALA 76 1.855 -6.990 -5.088 776 HA ALA 76 HA ALA 76 -0.868 -7.824 -5.007 777 1HB ALA 76 2HB ALA 76 0.479 -7.537 -7.084 778 2HB ALA 76 3HB ALA 76 1.406 -8.972 -6.672 779 3HB ALA 76 1HB ALA 76 -0.312 -9.110 -7.049 780 QB ALA 76 QB ALA 76 0.524 -8.540 -6.935 781 H ALA 77 HN ALA 77 2.063 -9.774 -4.618 782 HA ALA 77 HA ALA 77 0.637 -12.262 -4.054 783 1HB ALA 77 3HB ALA 77 3.501 -11.448 -3.379 784 2HB ALA 77 1HB ALA 77 2.862 -13.090 -3.339 785 3HB ALA 77 2HB ALA 77 2.992 -12.236 -4.871 786 QB ALA 77 QB ALA 77 3.118 -12.258 -3.863 787 CH2 TRP 78 CH2 TRP 78 -0.999 -6.831 4.035 788 H TRP 78 HN TRP 78 2.434 -9.972 -2.034 789 HA TRP 78 HA TRP 78 2.033 -11.078 0.498 790 1HB TRP 78 2HB TRP 78 3.231 -8.962 0.095 791 2HB TRP 78 3HB TRP 78 1.741 -8.175 -0.315 792 HD1 TRP 78 HD1 TRP 78 3.805 -9.256 2.700 793 HE1 TRP 78 HE1 TRP 78 2.739 -8.473 4.822 794 HE3 TRP 78 HE3 TRP 78 -0.442 -7.504 0.760 795 HZ2 TRP 78 HZ2 TRP 78 0.383 -7.156 5.633 796 HZ3 TRP 78 HZ3 TRP 78 -2.161 -6.564 2.267 797 HH2 TRP 78 HH2 TRP 78 -1.758 -6.407 4.677 798 QB TRP 78 QB TRP 78 2.486 -8.568 -0.110 799 H VAL 79 HN VAL 79 -0.157 -8.839 -1.178 800 HA VAL 79 HA VAL 79 -2.339 -8.857 0.545 801 HB VAL 79 HB VAL 79 -2.157 -8.793 -2.476 802 1HG1 VAL 79 2HG1 VAL 79 -4.703 -8.562 -0.827 803 2HG1 VAL 79 3HG1 VAL 79 -4.571 -8.190 -2.538 804 3HG1 VAL 79 1HG1 VAL 79 -4.344 -9.836 -1.979 805 1HG2 VAL 79 1HG2 VAL 79 -2.961 -6.758 -0.363 806 2HG2 VAL 79 2HG2 VAL 79 -1.433 -6.795 -1.228 807 3HG2 VAL 79 3HG2 VAL 79 -2.919 -6.443 -2.093 808 QG1 VAL 79 QG1 VAL 79 -4.539 -8.863 -1.781 809 QG2 VAL 79 QG2 VAL 79 -2.438 -6.665 -1.228 810 QQG VAL 79 QQG VAL 79 -3.489 -7.764 -1.505 811 H LYS 80 HN LYS 80 -1.641 -11.192 -2.011 812 HA LYS 80 HA LYS 80 -3.857 -12.812 -1.915 813 1HB LYS 80 2HB LYS 80 -1.191 -13.039 -2.878 814 2HB LYS 80 3HB LYS 80 -1.540 -14.529 -2.058 815 1HG LYS 80 2HG LYS 80 -2.294 -14.860 -4.279 816 2HG LYS 80 3HG LYS 80 -3.767 -14.514 -3.380 817 1HD LYS 80 2HD LYS 80 -2.985 -11.965 -4.047 818 2HD LYS 80 3HD LYS 80 -2.324 -12.862 -5.408 819 1HE LYS 80 2HE LYS 80 -4.623 -12.134 -5.911 820 2HE LYS 80 3HE LYS 80 -4.540 -13.894 -5.807 821 1HZ LYS 80 1HZ LYS 80 -5.043 -12.920 -3.234 822 2HZ LYS 80 2HZ LYS 80 -6.135 -12.151 -4.272 823 3HZ LYS 80 3HZ LYS 80 -6.071 -13.827 -4.199 824 QB LYS 80 QB LYS 80 -1.366 -13.784 -2.468 825 QG LYS 80 QG LYS 80 -3.031 -14.687 -3.830 826 QD LYS 80 QD LYS 80 -2.654 -12.413 -4.728 827 QE LYS 80 QE LYS 80 -4.582 -13.014 -5.859 828 QZ LYS 80 QZ LYS 80 -5.750 -12.966 -3.901 829 H GLU 81 HN GLU 81 -1.010 -13.435 0.170 830 HA GLU 81 HA GLU 81 -2.911 -15.088 1.838 831 1HB GLU 81 2HB GLU 81 0.148 -15.051 1.850 832 2HB GLU 81 3HB GLU 81 -0.867 -16.139 2.780 833 1HG GLU 81 2HG GLU 81 -0.405 -17.498 0.943 834 2HG GLU 81 3HG GLU 81 -1.883 -16.734 0.391 835 QB GLU 81 QB GLU 81 -0.360 -15.595 2.315 836 QG GLU 81 QG GLU 81 -1.144 -17.116 0.667 837 H ASN 82 HN ASN 82 -2.535 -12.096 1.963 838 HA ASN 82 HA ASN 82 -1.891 -11.986 4.904 839 1HB ASN 82 2HB ASN 82 -1.273 -10.030 2.714 840 2HB ASN 82 3HB ASN 82 -1.626 -9.414 4.320 841 1HD2 ASN 82 2HD2 ASN 82 1.847 -11.460 3.698 842 2HD2 ASN 82 1HD2 ASN 82 0.644 -11.449 2.492 843 QB ASN 82 QB ASN 82 -1.449 -9.722 3.517 844 QD2 ASN 82 QD2 ASN 82 1.246 -11.455 3.095 845 H LEU 83 HN LEU 83 -3.922 -10.926 2.275 846 HA LEU 83 HA LEU 83 -6.045 -10.151 4.243 847 1HB LEU 83 2HB LEU 83 -5.938 -9.399 1.302 848 2HB LEU 83 3HB LEU 83 -6.952 -8.693 2.551 849 HG LEU 83 HG LEU 83 -3.921 -8.469 2.418 850 1HD1 LEU 83 3HD1 LEU 83 -5.088 -7.167 0.663 851 2HD1 LEU 83 1HD1 LEU 83 -6.105 -6.426 1.892 852 3HD1 LEU 83 2HD1 LEU 83 -4.378 -6.106 1.868 853 1HD2 LEU 83 2HD2 LEU 83 -5.944 -7.154 4.283 854 2HD2 LEU 83 3HD2 LEU 83 -4.799 -8.414 4.744 855 3HD2 LEU 83 1HD2 LEU 83 -4.213 -6.829 4.259 856 QB LEU 83 QB LEU 83 -6.445 -9.046 1.926 857 QD1 LEU 83 QD1 LEU 83 -5.190 -6.566 1.474 858 QD2 LEU 83 QD2 LEU 83 -4.985 -7.466 4.429 859 QQD LEU 83 QQD LEU 83 -5.088 -7.016 2.952 860 H ASP 84 HN ASP 84 -4.963 -12.644 2.765 861 HA ASP 84 HA ASP 84 -5.736 -14.426 1.473 862 1HB ASP 84 2HB ASP 84 -7.522 -15.555 2.844 863 2HB ASP 84 3HB ASP 84 -6.046 -15.157 3.659 864 QB ASP 84 QB ASP 84 -6.784 -15.356 3.251 865 H ALA 85 HN ALA 85 -6.259 -13.026 -0.305 866 HA ALA 85 HA ALA 85 -9.118 -13.332 -1.069 867 1HB ALA 85 2HB ALA 85 -8.797 -10.991 -0.317 868 2HB ALA 85 3HB ALA 85 -7.461 -10.809 -1.452 869 3HB ALA 85 1HB ALA 85 -9.096 -11.051 -2.052 870 QB ALA 85 QB ALA 85 -8.451 -10.950 -1.274 Start of MODEL 19 Raw file had 870 H/Q atoms Start of MODEL 19 1 H MET 1 HN MET 1 -6.131 -3.793 8.059 2 HA MET 1 HA MET 1 -3.983 -2.461 9.306 3 1HB MET 1 2HB MET 1 -4.204 -3.865 6.618 4 2HB MET 1 3HB MET 1 -2.682 -3.333 7.323 5 1HG MET 1 2HG MET 1 -3.234 -5.743 7.759 6 2HG MET 1 3HG MET 1 -2.895 -4.789 9.178 7 1HE MET 1 3HE MET 1 -6.046 -5.482 6.917 8 2HE MET 1 1HE MET 1 -5.328 -7.055 7.288 9 3HE MET 1 2HE MET 1 -6.909 -6.626 7.938 10 QB MET 1 QB MET 1 -3.443 -3.599 6.971 11 QG MET 1 QG MET 1 -3.065 -5.266 8.468 12 QE MET 1 QE MET 1 -6.094 -6.388 7.381 13 H GLN 2 HN GLN 2 -2.596 -0.792 8.407 14 HA GLN 2 HA GLN 2 -4.086 1.071 6.707 15 1HB GLN 2 2HB GLN 2 -1.585 1.391 8.399 16 2HB GLN 2 3HB GLN 2 -2.378 2.678 7.529 17 1HG GLN 2 2HG GLN 2 -4.363 2.517 8.874 18 2HG GLN 2 3HG GLN 2 -3.849 0.979 9.561 19 1HE2 GLN 2 2HE2 GLN 2 -1.929 2.456 12.091 20 2HE2 GLN 2 1HE2 GLN 2 -2.505 1.013 11.390 21 QB GLN 2 QB GLN 2 -1.981 2.035 7.964 22 QG GLN 2 QG GLN 2 -4.106 1.748 9.217 23 QE2 GLN 2 QE2 GLN 2 -2.217 1.735 11.740 24 H THR 3 HN THR 3 -3.773 0.555 4.628 25 HA THR 3 HA THR 3 -1.146 -0.413 3.720 26 HB THR 3 HB THR 3 -3.578 0.235 1.977 27 HG1 THR 3 1HG THR 3 -4.408 -1.651 2.727 28 1HG2 THR 3 2HG2 THR 3 -1.369 -0.493 0.891 29 2HG2 THR 3 3HG2 THR 3 -1.432 -1.951 1.876 30 3HG2 THR 3 1HG2 THR 3 -2.668 -1.654 0.659 31 QG2 THR 3 QG2 THR 3 -1.823 -1.366 1.142 32 H VAL 4 HN VAL 4 0.287 1.159 3.769 33 HA VAL 4 HA VAL 4 -0.502 3.867 2.778 34 HB VAL 4 HB VAL 4 1.955 3.143 4.413 35 1HG1 VAL 4 2HG1 VAL 4 0.521 5.780 3.891 36 2HG1 VAL 4 3HG1 VAL 4 1.935 5.570 4.925 37 3HG1 VAL 4 1HG1 VAL 4 2.067 5.294 3.194 38 1HG2 VAL 4 2HG2 VAL 4 -0.730 4.165 5.393 39 2HG2 VAL 4 3HG2 VAL 4 -0.061 2.573 5.715 40 3HG2 VAL 4 1HG2 VAL 4 0.716 4.003 6.380 41 QG1 VAL 4 QG1 VAL 4 1.507 5.548 4.003 42 QG2 VAL 4 QG2 VAL 4 -0.025 3.581 5.830 43 QQG VAL 4 QQG VAL 4 0.741 4.564 4.916 44 H ILE 5 HN ILE 5 0.272 4.492 0.900 45 HA ILE 5 HA ILE 5 2.478 2.906 -0.332 46 HB ILE 5 HB ILE 5 1.071 5.213 -1.697 47 1HG1 ILE 5 2HG1 ILE 5 -0.844 3.958 -1.081 48 2HG1 ILE 5 3HG1 ILE 5 -0.485 3.498 -2.734 49 1HG2 ILE 5 3HG2 ILE 5 2.361 2.641 -2.661 50 2HG2 ILE 5 1HG2 ILE 5 1.593 3.823 -3.709 51 3HG2 ILE 5 2HG2 ILE 5 3.033 4.263 -2.790 52 1HD1 ILE 5 1HD1 ILE 5 0.644 1.441 -1.905 53 2HD1 ILE 5 2HD1 ILE 5 0.259 1.891 -0.253 54 3HD1 ILE 5 3HD1 ILE 5 -1.031 1.507 -1.384 55 QG1 ILE 5 QG1 ILE 5 -0.665 3.728 -1.907 56 QG2 ILE 5 QG2 ILE 5 2.329 3.576 -3.053 57 QD1 ILE 5 QD1 ILE 5 -0.043 1.613 -1.181 58 H PHE 6 HN PHE 6 4.481 3.700 -0.060 59 HA PHE 6 HA PHE 6 4.774 6.583 0.715 60 1HB PHE 6 2HB PHE 6 6.195 4.048 1.432 61 2HB PHE 6 3HB PHE 6 7.226 5.441 1.165 62 HD1 PHE 6 1HD PHE 6 6.610 7.625 2.389 63 HD2 PHE 6 2HD PHE 6 5.069 3.822 3.523 64 HE1 PHE 6 1HE PHE 6 6.061 8.507 4.597 65 HE2 PHE 6 2HE PHE 6 4.562 4.703 5.768 66 HZ PHE 6 HZ PHE 6 5.094 7.040 6.317 67 QB PHE 6 QB PHE 6 6.710 4.745 1.298 68 QR PHE 6 QR PHE 6 5.575 6.164 4.069 69 H GLY 7 HN GLY 7 5.173 7.731 -1.191 70 1HA GLY 7 1HA GLY 7 7.599 7.373 -2.576 71 2HA GLY 7 2HA GLY 7 6.446 6.347 -3.402 72 QA GLY 7 QA GLY 7 7.022 6.860 -2.989 73 NH1 ARG 8 NH2 ARG 8 9.309 13.338 -6.705 74 NH2 ARG 8 NH1 ARG 8 10.730 14.918 -5.840 75 H ARG 8 HN ARG 8 7.832 9.219 -3.425 76 HA ARG 8 HA ARG 8 5.599 10.844 -4.366 77 1HB ARG 8 2HB ARG 8 7.378 12.573 -4.565 78 2HB ARG 8 3HB ARG 8 7.399 11.785 -3.001 79 1HG ARG 8 2HG ARG 8 9.269 10.381 -3.608 80 2HG ARG 8 3HG ARG 8 9.220 10.938 -5.271 81 1HD ARG 8 2HD ARG 8 10.021 12.502 -2.803 82 2HD ARG 8 3HD ARG 8 10.981 12.184 -4.250 83 HE ARG 8 HE ARG 8 8.809 14.190 -3.995 84 1HH1 ARG 8 2HH2 ARG 8 8.630 12.605 -6.535 85 2HH1 ARG 8 1HH2 ARG 8 9.571 13.560 -7.642 86 1HH2 ARG 8 2HH1 ARG 8 11.111 15.366 -5.029 87 2HH2 ARG 8 1HH1 ARG 8 11.040 15.193 -6.747 88 QB ARG 8 QB ARG 8 7.389 12.179 -3.783 89 QG ARG 8 QG ARG 8 9.245 10.659 -4.440 90 QD ARG 8 QD ARG 8 10.501 12.343 -3.527 91 QH1 ARG 8 QH2 ARG 8 9.101 13.083 -7.089 92 QH2 ARG 8 QH1 ARG 8 11.075 15.280 -5.888 93 H SER 9 HN SER 9 5.552 8.792 -6.171 94 HA SER 9 HA SER 9 7.349 9.576 -8.404 95 1HB SER 9 2HB SER 9 6.620 7.591 -9.555 96 2HB SER 9 3HB SER 9 6.829 7.101 -7.869 97 HG SER 9 HG SER 9 4.568 7.210 -9.392 98 QB SER 9 QB SER 9 6.725 7.346 -8.712 99 H GLY 10 HN GLY 10 3.860 9.139 -7.860 100 1HA GLY 10 1HA GLY 10 2.102 10.569 -8.639 101 2HA GLY 10 2HA GLY 10 3.314 11.557 -9.469 102 QA GLY 10 QA GLY 10 2.708 11.063 -9.054 103 H CYS 11 HN CYS 11 4.643 9.918 -10.975 104 HA CYS 11 HA CYS 11 2.803 9.141 -13.107 105 1HB CYS 11 2HB CYS 11 5.755 8.521 -12.953 106 2HB CYS 11 3HB CYS 11 4.793 8.815 -14.374 107 HG CYS 11 HG CYS 11 5.918 11.038 -12.551 108 QB CYS 11 QB CYS 11 5.274 8.668 -13.663 109 HA PRO 12 HA PRO 12 1.380 5.672 -12.153 110 1HB PRO 12 2HB PRO 12 1.726 3.804 -14.191 111 2HB PRO 12 3HB PRO 12 0.664 5.213 -14.267 112 1HG PRO 12 2HG PRO 12 3.419 4.853 -15.425 113 2HG PRO 12 3HG PRO 12 2.041 5.744 -16.084 114 1HD PRO 12 2HD PRO 12 4.159 6.984 -14.832 115 2HD PRO 12 3HD PRO 12 2.520 7.658 -14.843 116 QB PRO 12 QB PRO 12 1.195 4.508 -14.229 117 QG PRO 12 QG PRO 12 2.730 5.298 -15.755 118 QD PRO 12 QD PRO 12 3.339 7.321 -14.837 119 OH TYR 13 OH TYR 13 8.499 4.866 -14.484 120 H TYR 13 HN TYR 13 3.320 5.447 -10.488 121 HA TYR 13 HA TYR 13 4.149 2.566 -10.507 122 1HB TYR 13 2HB TYR 13 5.569 4.896 -9.141 123 2HB TYR 13 3HB TYR 13 6.066 3.214 -9.086 124 HD1 TYR 13 HD1 TYR 13 5.333 2.685 -12.119 125 HD2 TYR 13 HD2 TYR 13 7.633 5.664 -10.130 126 HE1 TYR 13 HE1 TYR 13 6.568 3.105 -14.176 127 HE2 TYR 13 HE2 TYR 13 8.893 6.055 -12.192 128 HH TYR 13 HH TYR 13 8.643 4.031 -14.937 129 QB TYR 13 QB TYR 13 5.817 4.055 -9.114 130 QR TYR 13 QR TYR 13 7.107 4.377 -12.154 131 H CYS 14 HN CYS 14 3.921 5.220 -8.078 132 HA CYS 14 HA CYS 14 2.837 3.391 -6.116 133 1HB CYS 14 2HB CYS 14 2.494 6.390 -6.240 134 2HB CYS 14 3HB CYS 14 2.229 5.386 -4.840 135 HG CYS 14 HG CYS 14 4.706 5.256 -4.427 136 QB CYS 14 QB CYS 14 2.362 5.888 -5.540 137 H VAL 15 HN VAL 15 1.542 5.466 -8.583 138 HA VAL 15 HA VAL 15 -1.171 5.612 -8.098 139 HB VAL 15 HB VAL 15 0.179 4.844 -10.714 140 1HG1 VAL 15 2HG1 VAL 15 -2.250 4.344 -10.765 141 2HG1 VAL 15 3HG1 VAL 15 -2.597 5.981 -10.217 142 3HG1 VAL 15 1HG1 VAL 15 -1.870 5.717 -11.797 143 1HG2 VAL 15 2HG2 VAL 15 -0.684 7.544 -9.607 144 2HG2 VAL 15 3HG2 VAL 15 0.980 6.993 -9.776 145 3HG2 VAL 15 1HG2 VAL 15 -0.001 7.281 -11.207 146 QG1 VAL 15 QG1 VAL 15 -2.239 5.347 -10.926 147 QG2 VAL 15 QG2 VAL 15 0.099 7.273 -10.197 148 QQG VAL 15 QQG VAL 15 -1.070 6.310 -10.561 149 NH1 ARG 16 NH2 ARG 16 -4.226 -1.334 -10.914 150 NH2 ARG 16 NH1 ARG 16 -4.141 -2.494 -8.965 151 H ARG 16 HN ARG 16 0.597 2.789 -9.373 152 HA ARG 16 HA ARG 16 -1.755 1.181 -9.695 153 1HB ARG 16 2HB ARG 16 0.281 0.760 -10.972 154 2HB ARG 16 3HB ARG 16 1.193 0.494 -9.493 155 1HG ARG 16 2HG ARG 16 0.638 -1.657 -10.313 156 2HG ARG 16 3HG ARG 16 -0.435 -1.368 -8.957 157 1HD ARG 16 2HD ARG 16 -1.962 -0.371 -11.004 158 2HD ARG 16 3HD ARG 16 -1.089 -1.646 -11.848 159 HE ARG 16 HE ARG 16 -1.911 -3.177 -9.931 160 1HH1 ARG 16 2HH2 ARG 16 -3.794 -1.055 -11.770 161 2HH1 ARG 16 1HH2 ARG 16 -5.183 -1.064 -10.720 162 1HH2 ARG 16 2HH1 ARG 16 -3.636 -3.063 -8.322 163 2HH2 ARG 16 1HH1 ARG 16 -5.105 -2.267 -8.784 164 QB ARG 16 QB ARG 16 0.737 0.627 -10.233 165 QG ARG 16 QG ARG 16 0.102 -1.513 -9.635 166 QD ARG 16 QD ARG 16 -1.526 -1.009 -11.426 167 QH1 ARG 16 QH2 ARG 16 -4.489 -1.059 -11.245 168 QH2 ARG 16 QH1 ARG 16 -4.371 -2.665 -8.553 169 H ALA 17 HN ALA 17 0.789 1.344 -7.214 170 HA ALA 17 HA ALA 17 -0.213 -0.718 -5.535 171 1HB ALA 17 1HB ALA 17 1.050 1.916 -4.671 172 2HB ALA 17 2HB ALA 17 0.882 0.478 -3.668 173 3HB ALA 17 3HB ALA 17 1.929 0.447 -5.083 174 QB ALA 17 QB ALA 17 1.287 0.947 -4.474 175 H LYS 18 HN LYS 18 -0.977 2.710 -5.688 176 HA LYS 18 HA LYS 18 -2.963 2.850 -3.695 177 1HB LYS 18 2HB LYS 18 -2.178 4.876 -4.770 178 2HB LYS 18 3HB LYS 18 -2.713 4.327 -6.345 179 1HG LYS 18 2HG LYS 18 -4.754 4.535 -4.160 180 2HG LYS 18 3HG LYS 18 -4.168 6.024 -4.876 181 1HD LYS 18 2HD LYS 18 -5.496 5.722 -6.681 182 2HD LYS 18 3HD LYS 18 -4.768 4.157 -7.007 183 1HE LYS 18 2HE LYS 18 -6.286 3.114 -5.377 184 2HE LYS 18 3HE LYS 18 -6.959 4.670 -4.971 185 1HZ LYS 18 1HZ LYS 18 -7.189 4.271 -7.756 186 2HZ LYS 18 2HZ LYS 18 -7.822 2.908 -6.936 187 3HZ LYS 18 3HZ LYS 18 -8.414 4.447 -6.578 188 QB LYS 18 QB LYS 18 -2.445 4.602 -5.557 189 QG LYS 18 QG LYS 18 -4.461 5.280 -4.518 190 QD LYS 18 QD LYS 18 -5.132 4.940 -6.844 191 QE LYS 18 QE LYS 18 -6.623 3.892 -5.174 192 QZ LYS 18 QZ LYS 18 -7.809 3.876 -7.090 193 H ASP 19 HN ASP 19 -3.505 2.419 -7.195 194 HA ASP 19 HA ASP 19 -6.227 1.801 -7.099 195 1HB ASP 19 2HB ASP 19 -5.013 2.085 -9.212 196 2HB ASP 19 3HB ASP 19 -4.094 0.620 -8.915 197 QB ASP 19 QB ASP 19 -4.554 1.353 -9.064 198 H LEU 20 HN LEU 20 -3.585 -0.613 -6.915 199 HA LEU 20 HA LEU 20 -5.253 -2.865 -6.473 200 1HB LEU 20 2HB LEU 20 -2.679 -2.824 -6.796 201 2HB LEU 20 3HB LEU 20 -2.580 -2.479 -5.083 202 HG LEU 20 HG LEU 20 -4.051 -4.558 -4.718 203 1HD1 LEU 20 3HD1 LEU 20 -3.213 -5.019 -7.608 204 2HD1 LEU 20 1HD1 LEU 20 -3.947 -6.233 -6.562 205 3HD1 LEU 20 2HD1 LEU 20 -4.864 -4.804 -7.026 206 1HD2 LEU 20 1HD2 LEU 20 -1.286 -4.929 -5.930 207 2HD2 LEU 20 2HD2 LEU 20 -1.626 -4.550 -4.246 208 3HD2 LEU 20 3HD2 LEU 20 -2.122 -6.105 -4.916 209 QB LEU 20 QB LEU 20 -2.630 -2.652 -5.940 210 QD1 LEU 20 QD1 LEU 20 -4.008 -5.352 -7.065 211 QD2 LEU 20 QD2 LEU 20 -1.678 -5.195 -5.031 212 QQD LEU 20 QQD LEU 20 -2.843 -5.273 -6.048 213 H ALA 21 HN ALA 21 -3.599 -0.883 -4.063 214 HA ALA 21 HA ALA 21 -4.621 -2.037 -1.734 215 1HB ALA 21 1HB ALA 21 -2.833 -0.311 -1.787 216 2HB ALA 21 2HB ALA 21 -4.025 0.902 -2.237 217 3HB ALA 21 3HB ALA 21 -4.107 0.126 -0.658 218 QB ALA 21 QB ALA 21 -3.655 0.239 -1.561 219 H GLU 22 HN GLU 22 -5.976 0.499 -3.741 220 HA GLU 22 HA GLU 22 -8.314 0.994 -2.157 221 1HB GLU 22 2HB GLU 22 -7.440 2.464 -3.993 222 2HB GLU 22 3HB GLU 22 -7.965 1.264 -5.160 223 1HG GLU 22 2HG GLU 22 -10.295 1.517 -4.440 224 2HG GLU 22 3HG GLU 22 -9.807 2.638 -3.167 225 QB GLU 22 QB GLU 22 -7.703 1.864 -4.576 226 QG GLU 22 QG GLU 22 -10.051 2.077 -3.803 227 H LYS 23 HN LYS 23 -7.815 -0.938 -5.085 228 HA LYS 23 HA LYS 23 -10.315 -2.077 -5.431 229 1HB LYS 23 2HB LYS 23 -8.340 -2.681 -6.875 230 2HB LYS 23 3HB LYS 23 -7.719 -3.676 -5.567 231 1HG LYS 23 2HG LYS 23 -9.907 -4.966 -5.600 232 2HG LYS 23 3HG LYS 23 -10.389 -4.025 -6.997 233 1HD LYS 23 2HD LYS 23 -9.524 -5.920 -8.034 234 2HD LYS 23 3HD LYS 23 -8.107 -4.882 -8.015 235 1HE LYS 23 2HE LYS 23 -7.430 -7.068 -7.240 236 2HE LYS 23 3HE LYS 23 -7.406 -5.987 -5.854 237 1HZ LYS 23 3HZ LYS 23 -9.973 -7.101 -6.033 238 2HZ LYS 23 1HZ LYS 23 -8.836 -8.385 -6.142 239 3HZ LYS 23 2HZ LYS 23 -8.832 -7.295 -4.821 240 QB LYS 23 QB LYS 23 -8.030 -3.178 -6.221 241 QG LYS 23 QG LYS 23 -10.148 -4.495 -6.299 242 QD LYS 23 QD LYS 23 -8.816 -5.401 -8.024 243 QE LYS 23 QE LYS 23 -7.418 -6.528 -6.547 244 QZ LYS 23 QZ LYS 23 -9.214 -7.594 -5.665 245 H LEU 24 HN LEU 24 -7.718 -3.287 -3.382 246 HA LEU 24 HA LEU 24 -9.222 -5.352 -2.083 247 1HB LEU 24 2HB LEU 24 -6.934 -3.704 -0.949 248 2HB LEU 24 3HB LEU 24 -7.443 -5.280 -0.374 249 HG LEU 24 HG LEU 24 -6.469 -4.782 -3.210 250 1HD1 LEU 24 2HD1 LEU 24 -4.726 -4.279 -1.499 251 2HD1 LEU 24 3HD1 LEU 24 -4.965 -5.878 -0.808 252 3HD1 LEU 24 1HD1 LEU 24 -4.332 -5.704 -2.438 253 1HD2 LEU 24 1HD2 LEU 24 -7.893 -6.793 -2.832 254 2HD2 LEU 24 2HD2 LEU 24 -6.236 -7.244 -3.210 255 3HD2 LEU 24 3HD2 LEU 24 -6.812 -7.308 -1.544 256 QB LEU 24 QB LEU 24 -7.189 -4.492 -0.662 257 QD1 LEU 24 QD1 LEU 24 -4.674 -5.287 -1.581 258 QD2 LEU 24 QD2 LEU 24 -6.981 -7.115 -2.529 259 QQD LEU 24 QQD LEU 24 -5.828 -6.201 -2.055 260 H SER 25 HN SER 25 -8.738 -1.955 -1.379 261 HA SER 25 HA SER 25 -10.017 -1.878 1.146 262 1HB SER 25 2HB SER 25 -8.779 0.042 -0.099 263 2HB SER 25 3HB SER 25 -10.329 0.334 -0.911 264 HG SER 25 HG SER 25 -10.066 0.043 1.898 265 QB SER 25 QB SER 25 -9.554 0.188 -0.505 266 H ASN 26 HN ASN 26 -11.312 -2.155 -2.052 267 HA ASN 26 HA ASN 26 -14.091 -1.615 -1.181 268 1HB ASN 26 2HB ASN 26 -13.208 -0.849 -3.411 269 2HB ASN 26 3HB ASN 26 -12.975 -2.531 -3.867 270 1HD2 ASN 26 2HD2 ASN 26 -16.338 -2.976 -4.776 271 2HD2 ASN 26 1HD2 ASN 26 -14.797 -3.673 -4.647 272 QB ASN 26 QB ASN 26 -13.091 -1.690 -3.639 273 QD2 ASN 26 QD2 ASN 26 -15.567 -3.325 -4.711 274 H GLU 27 HN GLU 27 -12.488 -3.874 -0.131 275 HA GLU 27 HA GLU 27 -14.409 -6.053 -0.887 276 1HB GLU 27 2HB GLU 27 -11.432 -6.378 -0.399 277 2HB GLU 27 3HB GLU 27 -12.552 -7.668 -0.796 278 1HG GLU 27 2HG GLU 27 -12.993 -6.666 -2.981 279 2HG GLU 27 3HG GLU 27 -11.988 -5.278 -2.579 280 QB GLU 27 QB GLU 27 -11.992 -7.023 -0.597 281 QG GLU 27 QG GLU 27 -12.490 -5.972 -2.780 282 NH1 ARG 28 NH2 ARG 28 -10.372 -11.981 0.805 283 NH2 ARG 28 NH1 ARG 28 -10.007 -10.374 -0.746 284 H ARG 28 HN ARG 28 -11.743 -5.587 1.404 285 HA ARG 28 HA ARG 28 -13.513 -6.805 3.477 286 1HB ARG 28 2HB ARG 28 -10.484 -6.745 3.209 287 2HB ARG 28 3HB ARG 28 -11.299 -7.255 4.678 288 1HG ARG 28 2HG ARG 28 -11.172 -9.336 3.671 289 2HG ARG 28 3HG ARG 28 -12.663 -8.800 2.919 290 1HD ARG 28 2HD ARG 28 -11.172 -7.879 1.002 291 2HD ARG 28 3HD ARG 28 -9.870 -8.809 1.723 292 HE ARG 28 HE ARG 28 -12.406 -10.191 0.910 293 1HH1 ARG 28 2HH2 ARG 28 -10.863 -12.313 1.611 294 2HH1 ARG 28 1HH2 ARG 28 -9.675 -12.566 0.350 295 1HH2 ARG 28 2HH1 ARG 28 -10.205 -9.465 -1.128 296 2HH2 ARG 28 1HH1 ARG 28 -9.350 -10.971 -1.205 297 QB ARG 28 QB ARG 28 -10.892 -7.000 3.944 298 QG ARG 28 QG ARG 28 -11.917 -9.068 3.295 299 QD ARG 28 QD ARG 28 -10.521 -8.344 1.362 300 QH1 ARG 28 QH2 ARG 28 -10.269 -12.439 0.980 301 QH2 ARG 28 QH1 ARG 28 -9.778 -10.218 -1.167 302 H ASP 29 HN ASP 29 -13.659 -5.829 5.477 303 HA ASP 29 HA ASP 29 -13.913 -3.015 5.440 304 1HB ASP 29 2HB ASP 29 -13.721 -4.771 7.907 305 2HB ASP 29 3HB ASP 29 -14.598 -3.256 7.735 306 QB ASP 29 QB ASP 29 -14.159 -4.013 7.821 307 H ASP 30 HN ASP 30 -11.400 -4.843 7.308 308 HA ASP 30 HA ASP 30 -10.237 -2.234 8.019 309 1HB ASP 30 2HB ASP 30 -10.257 -4.092 9.681 310 2HB ASP 30 3HB ASP 30 -9.146 -4.986 8.654 311 QB ASP 30 QB ASP 30 -9.701 -4.539 9.167 312 H PHE 31 HN PHE 31 -10.247 -2.582 5.326 313 HA PHE 31 HA PHE 31 -7.304 -2.711 4.853 314 1HB PHE 31 2HB PHE 31 -8.743 -4.594 3.707 315 2HB PHE 31 3HB PHE 31 -9.241 -3.295 2.612 316 HD1 PHE 31 2HD PHE 31 -6.299 -5.037 4.060 317 HD2 PHE 31 1HD PHE 31 -7.641 -2.347 1.048 318 HE1 PHE 31 2HE PHE 31 -4.046 -5.018 3.067 319 HE2 PHE 31 1HE PHE 31 -5.392 -2.283 0.108 320 HZ PHE 31 HZ PHE 31 -3.586 -3.615 1.107 321 QB PHE 31 QB PHE 31 -8.992 -3.945 3.160 322 QR PHE 31 QR PHE 31 -5.844 -3.671 2.071 323 H GLN 32 HN GLN 32 -7.250 -0.537 5.334 324 HA GLN 32 HA GLN 32 -8.675 1.262 3.418 325 1HB GLN 32 2HB GLN 32 -7.488 1.796 6.175 326 2HB GLN 32 3HB GLN 32 -8.135 3.048 5.124 327 1HG GLN 32 2HG GLN 32 -10.364 1.865 5.160 328 2HG GLN 32 3HG GLN 32 -9.695 0.713 6.312 329 1HE2 GLN 32 2HE2 GLN 32 -9.267 4.192 8.189 330 2HE2 GLN 32 1HE2 GLN 32 -8.212 3.624 6.992 331 QB GLN 32 QB GLN 32 -7.811 2.422 5.650 332 QG GLN 32 QG GLN 32 -10.030 1.289 5.736 333 QE2 GLN 32 QE2 GLN 32 -8.740 3.908 7.591 334 OH TYR 33 OH TYR 33 -7.478 5.854 -3.044 335 H TYR 33 HN TYR 33 -7.353 2.700 2.223 336 HA TYR 33 HA TYR 33 -4.424 2.296 2.657 337 1HB TYR 33 2HB TYR 33 -4.029 2.089 0.356 338 2HB TYR 33 3HB TYR 33 -5.553 1.231 0.532 339 HD1 TYR 33 HD2 TYR 33 -3.954 4.310 -0.664 340 HD2 TYR 33 HD1 TYR 33 -7.655 2.229 -0.333 341 HE1 TYR 33 HE2 TYR 33 -4.983 5.894 -2.221 342 HE2 TYR 33 HE1 TYR 33 -8.685 3.829 -1.881 343 HH TYR 33 HH TYR 33 -8.254 5.422 -3.441 344 QB TYR 33 QB TYR 33 -4.791 1.660 0.444 345 QR TYR 33 QR TYR 33 -6.319 4.065 -1.275 346 H GLN 34 HN GLN 34 -3.086 4.002 2.067 347 HA GLN 34 HA GLN 34 -4.329 6.644 1.560 348 1HB GLN 34 2HB GLN 34 -2.781 7.613 3.402 349 2HB GLN 34 3HB GLN 34 -4.264 6.828 3.917 350 1HG GLN 34 2HG GLN 34 -1.862 5.080 3.681 351 2HG GLN 34 3HG GLN 34 -1.853 6.245 4.996 352 1HE2 GLN 34 2HE2 GLN 34 -4.247 4.491 6.885 353 2HE2 GLN 34 1HE2 GLN 34 -3.226 5.844 6.787 354 QB GLN 34 QB GLN 34 -3.523 7.221 3.659 355 QG GLN 34 QG GLN 34 -1.857 5.662 4.339 356 QE2 GLN 34 QE2 GLN 34 -3.737 5.167 6.836 357 OH TYR 35 OH TYR 35 2.562 8.552 -5.621 358 H TYR 35 HN TYR 35 -2.868 8.155 0.683 359 HA TYR 35 HA TYR 35 -0.383 6.896 -0.426 360 1HB TYR 35 2HB TYR 35 -2.277 7.596 -1.994 361 2HB TYR 35 3HB TYR 35 -1.966 9.255 -1.523 362 HD1 TYR 35 HD1 TYR 35 0.722 9.904 -1.703 363 HD2 TYR 35 HD2 TYR 35 -1.276 6.859 -3.921 364 HE1 TYR 35 HE1 TYR 35 2.468 9.993 -3.411 365 HE2 TYR 35 HE2 TYR 35 0.450 6.987 -5.641 366 HH TYR 35 HH TYR 35 3.417 8.487 -5.168 367 QB TYR 35 QB TYR 35 -2.121 8.426 -1.759 368 QR TYR 35 QR TYR 35 0.591 8.436 -3.669 369 H VAL 36 HN VAL 36 1.512 7.781 0.300 370 HA VAL 36 HA VAL 36 1.388 10.586 1.293 371 HB VAL 36 HB VAL 36 1.372 8.706 3.064 372 1HG1 VAL 36 1HG1 VAL 36 3.183 7.431 1.990 373 2HG1 VAL 36 2HG1 VAL 36 4.293 8.772 2.287 374 3HG1 VAL 36 3HG1 VAL 36 3.581 7.891 3.639 375 1HG2 VAL 36 3HG2 VAL 36 3.434 10.939 3.168 376 2HG2 VAL 36 1HG2 VAL 36 1.728 11.088 3.601 377 3HG2 VAL 36 2HG2 VAL 36 2.799 10.071 4.564 378 QG1 VAL 36 QG1 VAL 36 3.686 8.031 2.639 379 QG2 VAL 36 QG2 VAL 36 2.654 10.700 3.778 380 QQG VAL 36 QQG VAL 36 3.170 9.365 3.208 381 H ASP 37 HN ASP 37 3.286 11.782 1.103 382 HA ASP 37 HA ASP 37 5.237 10.660 -0.864 383 1HB ASP 37 2HB ASP 37 4.432 12.406 -2.113 384 2HB ASP 37 3HB ASP 37 3.756 13.224 -0.720 385 QB ASP 37 QB ASP 37 4.094 12.815 -1.416 386 H ILE 38 HN ILE 38 7.356 10.730 -0.277 387 HA ILE 38 HA ILE 38 7.959 11.040 2.497 388 HB ILE 38 HB ILE 38 10.326 10.750 1.862 389 1HG1 ILE 38 2HG1 ILE 38 9.470 10.732 -1.028 390 2HG1 ILE 38 3HG1 ILE 38 10.142 12.163 -0.257 391 1HG2 ILE 38 2HG2 ILE 38 8.800 8.784 1.990 392 2HG2 ILE 38 3HG2 ILE 38 8.423 8.971 0.282 393 3HG2 ILE 38 1HG2 ILE 38 10.049 8.528 0.777 394 1HD1 ILE 38 2HD1 ILE 38 12.150 10.841 0.416 395 2HD1 ILE 38 3HD1 ILE 38 11.491 9.438 -0.418 396 3HD1 ILE 38 1HD1 ILE 38 11.949 10.864 -1.337 397 QG1 ILE 38 QG1 ILE 38 9.806 11.448 -0.643 398 QG2 ILE 38 QG2 ILE 38 9.091 8.761 1.016 399 QD1 ILE 38 QD1 ILE 38 11.863 10.381 -0.446 400 NH1 ARG 39 NH2 ARG 39 5.267 19.087 -1.293 401 NH2 ARG 39 NH1 ARG 39 5.038 17.001 -2.186 402 H ARG 39 HN ARG 39 7.999 13.296 -0.143 403 HA ARG 39 HA ARG 39 9.636 15.246 1.267 404 1HB ARG 39 2HB ARG 39 9.441 15.223 -1.204 405 2HB ARG 39 3HB ARG 39 7.734 15.554 -1.099 406 1HG ARG 39 2HG ARG 39 9.769 17.448 0.085 407 2HG ARG 39 3HG ARG 39 9.339 17.528 -1.614 408 1HD ARG 39 2HD ARG 39 7.792 18.395 0.763 409 2HD ARG 39 3HD ARG 39 7.761 18.996 -0.883 410 HE ARG 39 HE ARG 39 6.288 16.495 -0.074 411 1HH1 ARG 39 2HH2 ARG 39 5.694 19.670 -0.602 412 2HH1 ARG 39 1HH2 ARG 39 4.595 19.475 -1.923 413 1HH2 ARG 39 2HH1 ARG 39 5.301 16.030 -2.146 414 2HH2 ARG 39 1HH1 ARG 39 4.354 17.311 -2.848 415 QB ARG 39 QB ARG 39 8.587 15.388 -1.152 416 QG ARG 39 QG ARG 39 9.554 17.488 -0.764 417 QD ARG 39 QD ARG 39 7.777 18.696 -0.060 418 QH1 ARG 39 QH2 ARG 39 5.145 19.573 -1.263 419 QH2 ARG 39 QH1 ARG 39 4.828 16.670 -2.497 420 H ALA 40 HN ALA 40 6.246 14.460 1.302 421 HA ALA 40 HA ALA 40 5.528 17.029 2.591 422 1HB ALA 40 1HB ALA 40 3.916 15.849 1.101 423 2HB ALA 40 2HB ALA 40 3.899 14.486 2.219 424 3HB ALA 40 3HB ALA 40 3.266 16.048 2.726 425 QB ALA 40 QB ALA 40 3.694 15.461 2.015 426 H GLU 41 HN GLU 41 5.893 13.663 3.459 427 HA GLU 41 HA GLU 41 5.230 14.033 6.252 428 1HB GLU 41 2HB GLU 41 5.082 11.899 4.783 429 2HB GLU 41 3HB GLU 41 6.782 11.734 5.164 430 1HG GLU 41 2HG GLU 41 6.200 11.904 7.607 431 2HG GLU 41 3HG GLU 41 4.503 11.864 7.148 432 QB GLU 41 QB GLU 41 5.932 11.816 4.973 433 QG GLU 41 QG GLU 41 5.351 11.884 7.378 434 H GLY 42 HN GLY 42 8.295 13.773 4.434 435 1HA GLY 42 1HA GLY 42 10.252 14.997 5.287 436 2HA GLY 42 2HA GLY 42 9.673 14.715 6.926 437 QA GLY 42 QA GLY 42 9.963 14.856 6.107 438 H ILE 43 HN ILE 43 10.161 12.603 4.132 439 HA ILE 43 HA ILE 43 11.819 10.835 5.906 440 HB ILE 43 HB ILE 43 9.939 10.245 3.629 441 1HG1 ILE 43 2HG1 ILE 43 10.267 9.225 6.451 442 2HG1 ILE 43 3HG1 ILE 43 8.964 10.216 5.826 443 1HG2 ILE 43 1HG2 ILE 43 12.050 9.035 3.104 444 2HG2 ILE 43 2HG2 ILE 43 12.022 8.319 4.714 445 3HG2 ILE 43 3HG2 ILE 43 10.758 7.940 3.552 446 1HD1 ILE 43 3HD1 ILE 43 8.305 8.356 4.296 447 2HD1 ILE 43 1HD1 ILE 43 9.569 7.348 4.995 448 3HD1 ILE 43 2HD1 ILE 43 8.222 7.885 5.985 449 QG1 ILE 43 QG1 ILE 43 9.615 9.721 6.139 450 QG2 ILE 43 QG2 ILE 43 11.610 8.431 3.790 451 QD1 ILE 43 QD1 ILE 43 8.699 7.863 5.092 452 H THR 44 HN THR 44 13.872 10.388 5.307 453 HA THR 44 HA THR 44 14.856 11.621 2.778 454 HB THR 44 HB THR 44 17.107 11.505 3.968 455 HG1 THR 44 1HG THR 44 16.402 11.014 6.385 456 1HG2 THR 44 1HG2 THR 44 15.612 13.537 4.377 457 2HG2 THR 44 2HG2 THR 44 14.916 12.684 5.750 458 3HG2 THR 44 3HG2 THR 44 16.617 13.138 5.768 459 QG2 THR 44 QG2 THR 44 15.715 13.120 5.298 460 H LYS 45 HN LYS 45 16.846 10.414 1.913 461 HA LYS 45 HA LYS 45 16.175 7.831 1.003 462 1HB LYS 45 2HB LYS 45 17.912 9.166 -0.056 463 2HB LYS 45 3HB LYS 45 18.868 9.193 1.414 464 1HG LYS 45 2HG LYS 45 19.345 6.821 1.227 465 2HG LYS 45 3HG LYS 45 18.202 6.660 -0.103 466 1HD LYS 45 2HD LYS 45 19.786 7.257 -1.597 467 2HD LYS 45 3HD LYS 45 20.080 8.762 -0.750 468 1HE LYS 45 2HE LYS 45 21.301 6.075 -0.036 469 2HE LYS 45 3HE LYS 45 22.130 7.368 -0.896 470 1HZ LYS 45 1HZ LYS 45 21.000 8.429 1.482 471 2HZ LYS 45 2HZ LYS 45 21.839 7.016 1.877 472 3HZ LYS 45 3HZ LYS 45 22.642 8.271 1.065 473 QB LYS 45 QB LYS 45 18.390 9.180 0.679 474 QG LYS 45 QG LYS 45 18.774 6.740 0.562 475 QD LYS 45 QD LYS 45 19.933 8.010 -1.174 476 QE LYS 45 QE LYS 45 21.716 6.721 -0.466 477 QZ LYS 45 QZ LYS 45 21.827 7.905 1.474 478 H GLU 46 HN GLU 46 18.379 8.774 3.572 479 HA GLU 46 HA GLU 46 18.955 6.291 4.736 480 1HB GLU 46 2HB GLU 46 18.618 9.051 5.983 481 2HB GLU 46 3HB GLU 46 19.238 7.680 6.878 482 1HG GLU 46 2HG GLU 46 20.857 9.422 5.604 483 2HG GLU 46 3HG GLU 46 21.278 7.731 5.814 484 QB GLU 46 QB GLU 46 18.928 8.365 6.431 485 QG GLU 46 QG GLU 46 21.067 8.576 5.709 486 H ASP 47 HN ASP 47 16.434 8.604 5.896 487 HA ASP 47 HA ASP 47 15.306 6.891 7.833 488 1HB ASP 47 2HB ASP 47 14.641 9.284 7.582 489 2HB ASP 47 3HB ASP 47 13.725 8.846 6.139 490 QB ASP 47 QB ASP 47 14.183 9.065 6.860 491 H LEU 48 HN LEU 48 14.457 7.140 4.386 492 HA LEU 48 HA LEU 48 12.367 5.289 4.431 493 1HB LEU 48 2HB LEU 48 13.798 6.701 2.458 494 2HB LEU 48 3HB LEU 48 13.991 5.007 2.022 495 HG LEU 48 HG LEU 48 11.397 6.413 2.633 496 1HD1 LEU 48 3HD1 LEU 48 12.318 6.990 0.417 497 2HD1 LEU 48 1HD1 LEU 48 12.472 5.279 0.027 498 3HD1 LEU 48 2HD1 LEU 48 10.877 5.995 0.237 499 1HD2 LEU 48 1HD2 LEU 48 11.930 3.526 1.833 500 2HD2 LEU 48 2HD2 LEU 48 11.278 4.065 3.374 501 3HD2 LEU 48 3HD2 LEU 48 10.330 4.255 1.910 502 QB LEU 48 QB LEU 48 13.894 5.854 2.240 503 QD1 LEU 48 QD1 LEU 48 11.889 6.088 0.227 504 QD2 LEU 48 QD2 LEU 48 11.179 3.949 2.372 505 QQD LEU 48 QQD LEU 48 11.534 5.018 1.300 506 H GLN 49 HN GLN 49 15.772 4.681 3.560 507 HA GLN 49 HA GLN 49 15.737 1.914 3.319 508 1HB GLN 49 2HB GLN 49 17.758 3.413 3.120 509 2HB GLN 49 3HB GLN 49 17.828 3.486 4.876 510 1HG GLN 49 2HG GLN 49 18.108 1.028 4.977 511 2HG GLN 49 3HG GLN 49 17.990 0.941 3.218 512 1HE2 GLN 49 2HE2 GLN 49 21.480 1.986 4.938 513 2HE2 GLN 49 1HE2 GLN 49 20.130 1.493 5.842 514 QB GLN 49 QB GLN 49 17.793 3.450 3.998 515 QG GLN 49 QG GLN 49 18.049 0.985 4.097 516 QE2 GLN 49 QE2 GLN 49 20.805 1.739 5.390 517 H GLN 50 HN GLN 50 16.164 3.778 6.274 518 HA GLN 50 HA GLN 50 16.160 1.661 8.146 519 1HB GLN 50 2HB GLN 50 16.730 4.110 8.507 520 2HB GLN 50 3HB GLN 50 15.014 4.453 8.527 521 1HG GLN 50 2HG GLN 50 16.251 2.426 10.404 522 2HG GLN 50 3HG GLN 50 16.138 4.133 10.807 523 1HE2 GLN 50 2HE2 GLN 50 13.066 2.206 11.978 524 2HE2 GLN 50 1HE2 GLN 50 14.724 1.897 12.150 525 QB GLN 50 QB GLN 50 15.872 4.282 8.517 526 QG GLN 50 QG GLN 50 16.194 3.280 10.606 527 QE2 GLN 50 QE2 GLN 50 13.895 2.052 12.064 528 H LYS 51 HN LYS 51 13.507 3.571 6.897 529 HA LYS 51 HA LYS 51 11.329 2.753 8.452 530 1HB LYS 51 2HB LYS 51 11.605 4.382 6.300 531 2HB LYS 51 3HB LYS 51 10.939 2.998 5.486 532 1HG LYS 51 2HG LYS 51 8.911 3.792 6.067 533 2HG LYS 51 3HG LYS 51 9.273 3.223 7.687 534 1HD LYS 51 2HD LYS 51 10.044 5.993 6.690 535 2HD LYS 51 3HD LYS 51 8.531 5.660 7.514 536 1HE LYS 51 2HE LYS 51 9.993 6.426 9.215 537 2HE LYS 51 3HE LYS 51 9.947 4.682 9.422 538 1HZ LYS 51 3HZ LYS 51 12.043 5.315 7.647 539 2HZ LYS 51 1HZ LYS 51 12.148 6.345 8.963 540 3HZ LYS 51 2HZ LYS 51 12.167 4.667 9.213 541 QB LYS 51 QB LYS 51 11.272 3.690 5.893 542 QG LYS 51 QG LYS 51 9.092 3.508 6.877 543 QD LYS 51 QD LYS 51 9.287 5.826 7.102 544 QE LYS 51 QE LYS 51 9.970 5.554 9.319 545 QZ LYS 51 QZ LYS 51 12.119 5.442 8.607 546 H ALA 52 HN ALA 52 12.695 1.235 5.629 547 HA ALA 52 HA ALA 52 10.810 -1.037 5.808 548 1HB ALA 52 1HB ALA 52 13.139 -0.440 3.956 549 2HB ALA 52 2HB ALA 52 12.046 -1.811 3.775 550 3HB ALA 52 3HB ALA 52 11.441 -0.170 3.603 551 QB ALA 52 QB ALA 52 12.208 -0.807 3.778 552 H GLY 53 HN GLY 53 14.292 -0.518 5.971 553 1HA GLY 53 1HA GLY 53 15.322 -1.643 8.040 554 2HA GLY 53 2HA GLY 53 14.686 -3.122 7.306 555 QA GLY 53 QA GLY 53 15.004 -2.382 7.673 556 H LYS 54 HN LYS 54 15.220 -3.255 4.892 557 HA LYS 54 HA LYS 54 17.810 -2.098 4.125 558 1HB LYS 54 2HB LYS 54 17.640 -5.098 4.605 559 2HB LYS 54 3HB LYS 54 19.018 -4.251 3.917 560 1HG LYS 54 2HG LYS 54 19.194 -2.892 6.025 561 2HG LYS 54 3HG LYS 54 17.878 -3.843 6.699 562 1HD LYS 54 2HD LYS 54 19.187 -5.884 6.581 563 2HD LYS 54 3HD LYS 54 20.478 -5.055 5.719 564 1HE LYS 54 2HE LYS 54 20.916 -5.364 8.196 565 2HE LYS 54 3HE LYS 54 21.010 -3.695 7.648 566 1HZ LYS 54 2HZ LYS 54 18.360 -4.177 8.390 567 2HZ LYS 54 3HZ LYS 54 19.336 -4.792 9.631 568 3HZ LYS 54 1HZ LYS 54 19.481 -3.166 9.153 569 QB LYS 54 QB LYS 54 18.329 -4.674 4.261 570 QG LYS 54 QG LYS 54 18.536 -3.368 6.362 571 QD LYS 54 QD LYS 54 19.833 -5.469 6.150 572 QE LYS 54 QE LYS 54 20.963 -4.530 7.922 573 QZ LYS 54 QZ LYS 54 19.059 -4.045 9.058 574 HA PRO 55 HA PRO 55 16.276 -3.170 0.130 575 1HB PRO 55 2HB PRO 55 14.236 -1.499 -0.496 576 2HB PRO 55 3HB PRO 55 13.926 -3.065 0.275 577 1HG PRO 55 2HG PRO 55 13.949 -0.316 1.512 578 2HG PRO 55 3HG PRO 55 12.881 -1.677 1.854 579 1HD PRO 55 2HD PRO 55 15.175 -0.957 3.362 580 2HD PRO 55 3HD PRO 55 14.323 -2.515 3.449 581 QB PRO 55 QB PRO 55 14.081 -2.282 -0.111 582 QG PRO 55 QG PRO 55 13.415 -0.997 1.683 583 QD PRO 55 QD PRO 55 14.749 -1.736 3.405 584 H VAL 56 HN VAL 56 18.121 -1.604 1.481 585 HA VAL 56 HA VAL 56 19.396 0.377 1.433 586 HB VAL 56 HB VAL 56 19.061 -0.013 -1.494 587 1HG1 VAL 56 3HG1 VAL 56 20.532 1.847 -0.769 588 2HG1 VAL 56 1HG1 VAL 56 21.449 0.725 0.224 589 3HG1 VAL 56 2HG1 VAL 56 21.469 0.573 -1.530 590 1HG2 VAL 56 2HG2 VAL 56 20.695 -1.690 0.426 591 2HG2 VAL 56 3HG2 VAL 56 19.295 -2.242 -0.490 592 3HG2 VAL 56 1HG2 VAL 56 20.774 -1.807 -1.327 593 QG1 VAL 56 QG1 VAL 56 21.150 1.048 -0.692 594 QG2 VAL 56 QG2 VAL 56 20.255 -1.913 -0.464 595 QQG VAL 56 QQG VAL 56 20.702 -0.432 -0.578 596 H GLU 57 HN GLU 57 18.680 1.725 -1.475 597 HA GLU 57 HA GLU 57 16.761 3.671 -0.267 598 1HB GLU 57 2HB GLU 57 17.901 5.339 -1.789 599 2HB GLU 57 3HB GLU 57 18.959 4.684 -0.544 600 1HG GLU 57 2HG GLU 57 19.795 2.996 -2.239 601 2HG GLU 57 3HG GLU 57 18.828 3.816 -3.456 602 QB GLU 57 QB GLU 57 18.430 5.011 -1.166 603 QG GLU 57 QG GLU 57 19.312 3.406 -2.848 604 H THR 58 HN THR 58 15.922 1.356 -1.719 605 HA THR 58 HA THR 58 15.325 2.324 -4.430 606 HB THR 58 HB THR 58 14.251 0.051 -4.680 607 HG1 THR 58 1HG THR 58 15.141 -0.237 -1.985 608 1HG2 THR 58 3HG2 THR 58 16.927 -0.053 -3.185 609 2HG2 THR 58 1HG2 THR 58 16.285 -1.304 -4.250 610 3HG2 THR 58 2HG2 THR 58 16.781 0.253 -4.913 611 QG2 THR 58 QG2 THR 58 16.664 -0.368 -4.116 612 H VAL 59 HN VAL 59 13.279 2.689 -5.253 613 HA VAL 59 HA VAL 59 10.950 2.737 -3.466 614 HB VAL 59 HB VAL 59 10.626 5.237 -4.519 615 1HG1 VAL 59 1HG1 VAL 59 12.202 4.598 -1.992 616 2HG1 VAL 59 2HG1 VAL 59 11.392 6.121 -2.331 617 3HG1 VAL 59 3HG1 VAL 59 10.446 4.652 -2.113 618 1HG2 VAL 59 3HG2 VAL 59 12.862 5.208 -5.599 619 2HG2 VAL 59 1HG2 VAL 59 12.751 6.462 -4.371 620 3HG2 VAL 59 2HG2 VAL 59 13.614 4.968 -4.025 621 QG1 VAL 59 QG1 VAL 59 11.346 5.124 -2.145 622 QG2 VAL 59 QG2 VAL 59 13.076 5.546 -4.665 623 QQG VAL 59 QQG VAL 59 12.211 5.335 -3.405 624 HA PRO 60 HA PRO 60 9.096 4.101 -3.760 625 1HB PRO 60 2HB PRO 60 6.454 3.252 -4.495 626 2HB PRO 60 3HB PRO 60 7.122 4.880 -4.561 627 1HG PRO 60 2HG PRO 60 6.436 3.280 -6.794 628 2HG PRO 60 3HG PRO 60 7.358 4.784 -6.836 629 1HD PRO 60 2HD PRO 60 8.344 1.977 -7.049 630 2HD PRO 60 3HD PRO 60 9.098 3.482 -7.624 631 QB PRO 60 QB PRO 60 6.788 4.066 -4.528 632 QG PRO 60 QG PRO 60 6.897 4.032 -6.815 633 QD PRO 60 QD PRO 60 8.721 2.730 -7.337 634 H GLN 61 HN GLN 61 7.591 3.078 -2.012 635 HA GLN 61 HA GLN 61 7.770 0.098 -2.104 636 1HB GLN 61 2HB GLN 61 8.765 1.758 0.243 637 2HB GLN 61 3HB GLN 61 8.778 0.001 0.133 638 1HG GLN 61 2HG GLN 61 10.193 0.348 -2.036 639 2HG GLN 61 3HG GLN 61 10.424 1.994 -1.458 640 1HE2 GLN 61 2HE2 GLN 61 12.999 0.972 0.738 641 2HE2 GLN 61 1HE2 GLN 61 12.375 2.175 -0.286 642 QB GLN 61 QB GLN 61 8.771 0.879 0.188 643 QG GLN 61 QG GLN 61 10.308 1.171 -1.747 644 QE2 GLN 61 QE2 GLN 61 12.687 1.573 0.226 645 H ILE 62 HN ILE 62 6.356 -0.964 -0.568 646 HA ILE 62 HA ILE 62 4.007 0.758 0.178 647 HB ILE 62 HB ILE 62 3.957 -2.238 -0.253 648 1HG1 ILE 62 2HG1 ILE 62 4.811 -1.295 -2.341 649 2HG1 ILE 62 3HG1 ILE 62 3.144 -1.797 -2.556 650 1HG2 ILE 62 2HG2 ILE 62 1.818 -0.079 -0.316 651 2HG2 ILE 62 3HG2 ILE 62 1.538 -1.775 -0.709 652 3HG2 ILE 62 1HG2 ILE 62 2.028 -1.313 0.918 653 1HD1 ILE 62 1HD1 ILE 62 4.033 1.055 -2.032 654 2HD1 ILE 62 2HD1 ILE 62 3.553 0.408 -3.592 655 3HD1 ILE 62 3HD1 ILE 62 2.380 0.519 -2.291 656 QG1 ILE 62 QG1 ILE 62 3.977 -1.546 -2.449 657 QG2 ILE 62 QG2 ILE 62 1.795 -1.056 -0.035 658 QD1 ILE 62 QD1 ILE 62 3.322 0.661 -2.638 659 H PHE 63 HN PHE 63 3.189 0.662 2.224 660 HA PHE 63 HA PHE 63 4.553 -1.199 4.150 661 1HB PHE 63 2HB PHE 63 3.770 1.719 4.430 662 2HB PHE 63 3HB PHE 63 4.087 0.706 5.835 663 HD1 PHE 63 2HD PHE 63 5.680 1.616 2.532 664 HD2 PHE 63 1HD PHE 63 6.282 0.588 6.625 665 HE1 PHE 63 2HE PHE 63 8.095 1.867 2.243 666 HE2 PHE 63 1HE PHE 63 8.699 0.842 6.327 667 HZ PHE 63 HZ PHE 63 9.615 1.472 4.130 668 QB PHE 63 QB PHE 63 3.928 1.212 5.133 669 QR PHE 63 QR PHE 63 7.189 1.228 4.432 670 H VAL 64 HN VAL 64 3.228 -2.128 5.745 671 HA VAL 64 HA VAL 64 0.296 -1.612 5.418 672 HB VAL 64 HB VAL 64 1.727 -4.270 5.687 673 1HG1 VAL 64 2HG1 VAL 64 -1.256 -3.685 5.730 674 2HG1 VAL 64 3HG1 VAL 64 -0.531 -5.288 5.669 675 3HG1 VAL 64 1HG1 VAL 64 -0.315 -4.285 7.094 676 1HG2 VAL 64 2HG2 VAL 64 1.589 -3.220 3.426 677 2HG2 VAL 64 3HG2 VAL 64 0.634 -4.699 3.513 678 3HG2 VAL 64 1HG2 VAL 64 -0.155 -3.125 3.593 679 QG1 VAL 64 QG1 VAL 64 -0.700 -4.419 6.164 680 QG2 VAL 64 QG2 VAL 64 0.689 -3.681 3.511 681 QQG VAL 64 QQG VAL 64 -0.006 -4.050 4.838 682 H ASP 65 HN ASP 65 0.122 -0.348 7.104 683 HA ASP 65 HA ASP 65 -0.307 0.258 9.282 684 1HB ASP 65 2HB ASP 65 -1.136 -2.335 9.138 685 2HB ASP 65 3HB ASP 65 0.051 -2.438 10.429 686 QB ASP 65 QB ASP 65 -0.543 -2.386 9.784 687 H GLN 66 HN GLN 66 1.847 -2.391 9.868 688 HA GLN 66 HA GLN 66 3.883 -0.467 10.838 689 1HB GLN 66 2HB GLN 66 2.833 -2.918 12.286 690 2HB GLN 66 3HB GLN 66 4.257 -2.019 12.797 691 1HG GLN 66 2HG GLN 66 3.005 -0.085 13.332 692 2HG GLN 66 3HG GLN 66 1.647 -0.559 12.326 693 1HE2 GLN 66 2HE2 GLN 66 -0.007 -2.115 14.958 694 2HE2 GLN 66 1HE2 GLN 66 -0.090 -1.373 13.431 695 QB GLN 66 QB GLN 66 3.545 -2.468 12.541 696 QG GLN 66 QG GLN 66 2.326 -0.322 12.829 697 QE2 GLN 66 QE2 GLN 66 -0.048 -1.744 14.195 698 H GLN 67 HN GLN 67 3.274 -3.151 8.865 699 HA GLN 67 HA GLN 67 6.087 -4.103 9.052 700 1HB GLN 67 2HB GLN 67 5.259 -6.103 8.021 701 2HB GLN 67 3HB GLN 67 4.036 -5.676 9.193 702 1HG GLN 67 2HG GLN 67 2.902 -4.390 7.266 703 2HG GLN 67 3HG GLN 67 3.991 -5.237 6.186 704 1HE2 GLN 67 2HE2 GLN 67 0.907 -7.222 7.962 705 2HE2 GLN 67 1HE2 GLN 67 1.287 -5.619 8.404 706 QB GLN 67 QB GLN 67 4.647 -5.890 8.607 707 QG GLN 67 QG GLN 67 3.446 -4.814 6.726 708 QE2 GLN 67 QE2 GLN 67 1.097 -6.421 8.183 709 H HIS 68 HN HIS 68 7.108 -4.632 6.952 710 HA HIS 68 HA HIS 68 6.450 -2.560 4.895 711 1HB HIS 68 2HB HIS 68 8.750 -2.464 5.849 712 2HB HIS 68 3HB HIS 68 9.011 -4.126 5.382 713 HD1 HIS 68 HD1 HIS 68 10.682 -3.870 3.596 714 HD2 HIS 68 HD2 HIS 68 7.561 -1.255 2.988 715 HE1 HIS 68 HE1 HIS 68 11.020 -2.870 1.309 716 QB HIS 68 QB HIS 68 8.880 -3.295 5.615 717 H ILE 69 HN ILE 69 6.061 -3.313 2.752 718 HA ILE 69 HA ILE 69 5.770 -6.291 2.568 719 HB ILE 69 HB ILE 69 4.591 -4.215 0.696 720 1HG1 ILE 69 2HG1 ILE 69 3.748 -3.680 2.917 721 2HG1 ILE 69 3HG1 ILE 69 2.479 -4.497 2.016 722 1HG2 ILE 69 3HG2 ILE 69 3.896 -7.103 1.328 723 2HG2 ILE 69 1HG2 ILE 69 2.975 -6.069 0.254 724 3HG2 ILE 69 2HG2 ILE 69 4.626 -6.513 -0.158 725 1HD1 ILE 69 3HD1 ILE 69 3.048 -6.631 3.139 726 2HD1 ILE 69 1HD1 ILE 69 4.317 -5.832 4.047 727 3HD1 ILE 69 2HD1 ILE 69 2.637 -5.407 4.318 728 QG1 ILE 69 QG1 ILE 69 3.113 -4.088 2.467 729 QG2 ILE 69 QG2 ILE 69 3.832 -6.562 0.475 730 QD1 ILE 69 QD1 ILE 69 3.334 -5.957 3.835 731 H GLY 70 HN GLY 70 7.076 -3.491 0.960 732 1HA GLY 70 1HA GLY 70 9.373 -3.941 -0.072 733 2HA GLY 70 2HA GLY 70 8.587 -5.294 -0.895 734 QA GLY 70 QA GLY 70 8.980 -4.618 -0.484 735 H GLY 71 HN GLY 71 8.417 -4.715 -2.979 736 1HA GLY 71 1HA GLY 71 7.556 -1.931 -3.653 737 2HA GLY 71 2HA GLY 71 8.417 -3.016 -4.746 738 QA GLY 71 QA GLY 71 7.986 -2.474 -4.200 739 OH TYR 72 OH TYR 72 -0.892 -4.483 -9.102 740 H TYR 72 HN TYR 72 6.566 -2.482 -6.228 741 HA TYR 72 HA TYR 72 3.873 -3.222 -5.588 742 1HB TYR 72 2HB TYR 72 4.477 -1.785 -7.557 743 2HB TYR 72 3HB TYR 72 5.106 -3.218 -8.371 744 HD1 TYR 72 HD2 TYR 72 2.006 -2.200 -6.465 745 HD2 TYR 72 HD1 TYR 72 3.597 -4.319 -9.808 746 HE1 TYR 72 HE2 TYR 72 -0.251 -2.950 -7.072 747 HE2 TYR 72 HE1 TYR 72 1.331 -5.039 -10.417 748 HH TYR 72 HH TYR 72 -0.938 -5.430 -8.903 749 QB TYR 72 QB TYR 72 4.791 -2.501 -7.964 750 QR TYR 72 QR TYR 72 1.671 -3.627 -8.440 751 H THR 73 HN THR 73 6.390 -5.073 -7.306 752 HA THR 73 HA THR 73 4.940 -7.372 -7.961 753 HB THR 73 HB THR 73 7.337 -8.478 -7.331 754 HG1 THR 73 1HG THR 73 8.166 -6.797 -6.109 755 1HG2 THR 73 2HG2 THR 73 7.064 -6.199 -9.359 756 2HG2 THR 73 3HG2 THR 73 8.250 -7.505 -9.424 757 3HG2 THR 73 1HG2 THR 73 6.542 -7.855 -9.673 758 QG2 THR 73 QG2 THR 73 7.285 -7.186 -9.485 759 H ASP 74 HN ASP 74 6.644 -6.684 -4.998 760 HA ASP 74 HA ASP 74 5.895 -9.000 -3.521 761 1HB ASP 74 2HB ASP 74 6.408 -6.254 -2.329 762 2HB ASP 74 3HB ASP 74 6.789 -7.826 -1.634 763 QB ASP 74 QB ASP 74 6.598 -7.040 -1.982 764 H PHE 75 HN PHE 75 4.601 -5.702 -3.438 765 HA PHE 75 HA PHE 75 2.480 -6.068 -1.680 766 1HB PHE 75 2HB PHE 75 3.171 -3.903 -2.723 767 2HB PHE 75 3HB PHE 75 2.422 -4.413 -4.228 768 HD1 PHE 75 2HD PHE 75 0.998 -5.011 -0.816 769 HD2 PHE 75 1HD PHE 75 0.733 -2.723 -4.400 770 HE1 PHE 75 2HE PHE 75 -1.121 -4.048 -0.048 771 HE2 PHE 75 1HE PHE 75 -1.355 -1.730 -3.602 772 HZ PHE 75 HZ PHE 75 -2.298 -2.406 -1.436 773 QB PHE 75 QB PHE 75 2.797 -4.158 -3.476 774 QR PHE 75 QR PHE 75 -0.186 -3.378 -2.216 775 H ALA 76 HN ALA 76 2.423 -6.693 -5.174 776 HA ALA 76 HA ALA 76 -0.314 -7.496 -5.328 777 1HB ALA 76 2HB ALA 76 2.041 -8.550 -6.941 778 2HB ALA 76 3HB ALA 76 0.340 -8.732 -7.376 779 3HB ALA 76 1HB ALA 76 1.080 -7.133 -7.348 780 QB ALA 76 QB ALA 76 1.154 -8.138 -7.222 781 H ALA 77 HN ALA 77 2.641 -9.435 -4.886 782 HA ALA 77 HA ALA 77 1.310 -11.918 -4.449 783 1HB ALA 77 2HB ALA 77 3.935 -10.955 -3.249 784 2HB ALA 77 3HB ALA 77 3.400 -12.633 -3.317 785 3HB ALA 77 1HB ALA 77 3.753 -11.754 -4.806 786 QB ALA 77 QB ALA 77 3.696 -11.781 -3.791 787 CH2 TRP 78 CH2 TRP 78 -1.486 -7.053 4.031 788 H TRP 78 HN TRP 78 2.673 -9.755 -1.977 789 HA TRP 78 HA TRP 78 1.765 -11.008 0.352 790 1HB TRP 78 2HB TRP 78 3.112 -8.917 0.324 791 2HB TRP 78 3HB TRP 78 1.705 -8.027 -0.169 792 HD1 TRP 78 HD1 TRP 78 3.397 -9.420 2.943 793 HE1 TRP 78 HE1 TRP 78 2.200 -8.605 5.003 794 HE3 TRP 78 HE3 TRP 78 -0.732 -7.598 0.762 795 HZ2 TRP 78 HZ2 TRP 78 -0.210 -7.495 5.691 796 HZ3 TRP 78 HZ3 TRP 78 -2.551 -6.722 2.206 797 HH2 TRP 78 HH2 TRP 78 -2.272 -6.640 4.649 798 QB TRP 78 QB TRP 78 2.409 -8.472 0.077 799 H VAL 79 HN VAL 79 0.077 -8.615 -1.604 800 HA VAL 79 HA VAL 79 -2.387 -8.543 -0.229 801 HB VAL 79 HB VAL 79 -1.530 -8.153 -3.109 802 1HG1 VAL 79 2HG1 VAL 79 -4.362 -7.874 -2.059 803 2HG1 VAL 79 3HG1 VAL 79 -3.804 -7.324 -3.638 804 3HG1 VAL 79 1HG1 VAL 79 -3.830 -9.039 -3.262 805 1HG2 VAL 79 3HG2 VAL 79 -2.666 -6.323 -0.966 806 2HG2 VAL 79 1HG2 VAL 79 -0.974 -6.448 -1.418 807 3HG2 VAL 79 2HG2 VAL 79 -2.141 -5.811 -2.566 808 QG1 VAL 79 QG1 VAL 79 -3.999 -8.079 -2.986 809 QG2 VAL 79 QG2 VAL 79 -1.927 -6.194 -1.650 810 QQG VAL 79 QQG VAL 79 -2.963 -7.136 -2.318 811 H LYS 80 HN LYS 80 -1.544 -10.455 -3.078 812 HA LYS 80 HA LYS 80 -3.924 -11.927 -3.173 813 1HB LYS 80 2HB LYS 80 -2.251 -11.814 -5.001 814 2HB LYS 80 3HB LYS 80 -1.143 -12.787 -4.038 815 1HG LYS 80 2HG LYS 80 -2.305 -14.191 -5.685 816 2HG LYS 80 3HG LYS 80 -2.750 -14.662 -4.053 817 1HD LYS 80 2HD LYS 80 -4.735 -12.845 -4.562 818 2HD LYS 80 3HD LYS 80 -4.407 -13.397 -6.194 819 1HE LYS 80 2HE LYS 80 -4.730 -15.723 -5.507 820 2HE LYS 80 3HE LYS 80 -4.951 -15.225 -3.835 821 1HZ LYS 80 1HZ LYS 80 -6.778 -13.750 -5.348 822 2HZ LYS 80 2HZ LYS 80 -6.868 -15.368 -5.882 823 3HZ LYS 80 3HZ LYS 80 -7.077 -15.009 -4.232 824 QB LYS 80 QB LYS 80 -1.697 -12.300 -4.520 825 QG LYS 80 QG LYS 80 -2.528 -14.426 -4.869 826 QD LYS 80 QD LYS 80 -4.571 -13.121 -5.378 827 QE LYS 80 QE LYS 80 -4.841 -15.474 -4.671 828 QZ LYS 80 QZ LYS 80 -6.908 -14.709 -5.154 829 H GLU 81 HN GLU 81 -1.380 -12.275 -0.873 830 HA GLU 81 HA GLU 81 -2.445 -14.978 -0.131 831 1HB GLU 81 2HB GLU 81 0.031 -13.591 0.979 832 2HB GLU 81 3HB GLU 81 -0.365 -15.296 1.090 833 1HG GLU 81 2HG GLU 81 0.065 -15.653 -1.238 834 2HG GLU 81 3HG GLU 81 0.068 -13.926 -1.583 835 QB GLU 81 QB GLU 81 -0.167 -14.443 1.035 836 QG GLU 81 QG GLU 81 0.066 -14.790 -1.411 837 H ASN 82 HN ASN 82 -1.686 -11.865 1.406 838 HA ASN 82 HA ASN 82 -2.821 -12.770 3.956 839 1HB ASN 82 2HB ASN 82 -1.702 -10.117 2.996 840 2HB ASN 82 3HB ASN 82 -2.464 -10.289 4.571 841 1HD2 ASN 82 2HD2 ASN 82 1.194 -12.000 3.916 842 2HD2 ASN 82 1HD2 ASN 82 0.235 -11.541 2.587 843 QB ASN 82 QB ASN 82 -2.083 -10.203 3.783 844 QD2 ASN 82 QD2 ASN 82 0.715 -11.771 3.252 845 H LEU 83 HN LEU 83 -3.845 -11.065 1.140 846 HA LEU 83 HA LEU 83 -6.452 -10.364 2.454 847 1HB LEU 83 2HB LEU 83 -5.019 -9.253 0.024 848 2HB LEU 83 3HB LEU 83 -6.739 -9.012 0.239 849 HG LEU 83 HG LEU 83 -5.188 -7.139 1.088 850 1HD1 LEU 83 1HD1 LEU 83 -7.153 -8.456 2.984 851 2HD1 LEU 83 2HD1 LEU 83 -6.588 -6.797 3.098 852 3HD1 LEU 83 3HD1 LEU 83 -7.550 -7.297 1.713 853 1HD2 LEU 83 1HD2 LEU 83 -3.566 -8.721 2.214 854 2HD2 LEU 83 2HD2 LEU 83 -4.189 -7.466 3.280 855 3HD2 LEU 83 3HD2 LEU 83 -4.828 -9.090 3.389 856 QB LEU 83 QB LEU 83 -5.879 -9.133 0.132 857 QD1 LEU 83 QD1 LEU 83 -7.097 -7.517 2.598 858 QD2 LEU 83 QD2 LEU 83 -4.195 -8.426 2.961 859 QQD LEU 83 QQD LEU 83 -5.646 -7.971 2.780 860 H ASP 84 HN ASP 84 -4.960 -11.736 -0.358 861 HA ASP 84 HA ASP 84 -5.672 -13.198 -2.011 862 1HB ASP 84 2HB ASP 84 -5.773 -14.948 -0.508 863 2HB ASP 84 3HB ASP 84 -7.019 -14.202 0.466 864 QB ASP 84 QB ASP 84 -6.396 -14.575 -0.021 865 H ALA 85 HN ALA 85 -6.408 -11.477 -3.105 866 HA ALA 85 HA ALA 85 -9.366 -11.281 -3.461 867 1HB ALA 85 3HB ALA 85 -8.429 -9.272 -2.295 868 2HB ALA 85 1HB ALA 85 -7.322 -9.040 -3.643 869 3HB ALA 85 2HB ALA 85 -9.058 -8.882 -3.888 870 QB ALA 85 QB ALA 85 -8.270 -9.065 -3.276 Start of MODEL 20 Raw file had 870 H/Q atoms Start of MODEL 20 1 H MET 1 HN MET 1 -7.755 -2.115 8.694 2 HA MET 1 HA MET 1 -5.147 -3.088 9.245 3 1HB MET 1 2HB MET 1 -5.919 -5.036 7.905 4 2HB MET 1 3HB MET 1 -6.405 -3.955 6.607 5 1HG MET 1 2HG MET 1 -4.070 -3.219 6.342 6 2HG MET 1 3HG MET 1 -3.586 -4.267 7.651 7 1HE MET 1 2HE MET 1 -4.786 -6.872 7.415 8 2HE MET 1 3HE MET 1 -3.765 -7.772 6.309 9 3HE MET 1 1HE MET 1 -3.028 -6.702 7.491 10 QB MET 1 QB MET 1 -6.162 -4.495 7.256 11 QG MET 1 QG MET 1 -3.828 -3.743 6.996 12 QE MET 1 QE MET 1 -3.860 -7.115 7.072 13 H GLN 2 HN GLN 2 -3.828 -1.357 8.665 14 HA GLN 2 HA GLN 2 -4.969 0.614 6.789 15 1HB GLN 2 2HB GLN 2 -3.198 0.926 9.215 16 2HB GLN 2 3HB GLN 2 -3.541 2.223 8.101 17 1HG GLN 2 2HG GLN 2 -6.034 1.757 8.499 18 2HG GLN 2 3HG GLN 2 -5.526 0.706 9.817 19 1HE2 GLN 2 2HE2 GLN 2 -6.083 4.389 10.831 20 2HE2 GLN 2 1HE2 GLN 2 -6.965 3.435 9.733 21 QB GLN 2 QB GLN 2 -3.370 1.575 8.658 22 QG GLN 2 QG GLN 2 -5.780 1.231 9.158 23 QE2 GLN 2 QE2 GLN 2 -6.524 3.912 10.282 24 H THR 3 HN THR 3 -3.983 0.395 4.882 25 HA THR 3 HA THR 3 -1.124 -0.397 4.790 26 HB THR 3 HB THR 3 -3.198 -0.083 2.565 27 HG1 THR 3 1HG THR 3 -3.782 -1.954 3.369 28 1HG2 THR 3 1HG2 THR 3 -0.533 -1.593 2.643 29 2HG2 THR 3 2HG2 THR 3 -1.638 -1.516 1.279 30 3HG2 THR 3 3HG2 THR 3 -0.760 -0.079 1.780 31 QG2 THR 3 QG2 THR 3 -0.977 -1.062 1.900 32 H VAL 4 HN VAL 4 0.441 0.813 3.707 33 HA VAL 4 HA VAL 4 -0.278 3.628 3.001 34 HB VAL 4 HB VAL 4 2.247 2.854 4.479 35 1HG1 VAL 4 3HG1 VAL 4 0.914 5.518 3.878 36 2HG1 VAL 4 1HG1 VAL 4 2.360 5.322 4.864 37 3HG1 VAL 4 2HG1 VAL 4 2.403 4.913 3.155 38 1HG2 VAL 4 1HG2 VAL 4 -0.287 4.063 5.623 39 2HG2 VAL 4 2HG2 VAL 4 0.321 2.449 5.962 40 3HG2 VAL 4 3HG2 VAL 4 1.225 3.858 6.494 41 QG1 VAL 4 QG1 VAL 4 1.893 5.251 3.966 42 QG2 VAL 4 QG2 VAL 4 0.419 3.457 6.026 43 QQG VAL 4 QQG VAL 4 1.156 4.354 4.996 44 H ILE 5 HN ILE 5 0.698 4.408 1.235 45 HA ILE 5 HA ILE 5 2.774 2.727 -0.147 46 HB ILE 5 HB ILE 5 0.778 4.746 -1.302 47 1HG1 ILE 5 2HG1 ILE 5 -0.223 2.992 -2.539 48 2HG1 ILE 5 3HG1 ILE 5 1.006 1.845 -2.046 49 1HG2 ILE 5 1HG2 ILE 5 2.932 3.110 -2.682 50 2HG2 ILE 5 2HG2 ILE 5 1.709 4.077 -3.506 51 3HG2 ILE 5 3HG2 ILE 5 2.922 4.860 -2.497 52 1HD1 ILE 5 1HD1 ILE 5 -0.974 3.131 -0.142 53 2HD1 ILE 5 2HD1 ILE 5 -1.177 1.532 -0.849 54 3HD1 ILE 5 3HD1 ILE 5 0.164 1.840 0.243 55 QG1 ILE 5 QG1 ILE 5 0.391 2.418 -2.292 56 QG2 ILE 5 QG2 ILE 5 2.521 4.016 -2.895 57 QD1 ILE 5 QD1 ILE 5 -0.662 2.167 -0.249 58 H PHE 6 HN PHE 6 4.785 3.715 -0.182 59 HA PHE 6 HA PHE 6 4.922 6.660 0.360 60 1HB PHE 6 2HB PHE 6 6.978 4.442 0.687 61 2HB PHE 6 3HB PHE 6 7.370 6.142 0.864 62 HD1 PHE 6 2HD PHE 6 4.915 3.612 2.142 63 HD2 PHE 6 1HD PHE 6 7.261 7.054 3.027 64 HE1 PHE 6 2HE PHE 6 4.258 3.467 4.499 65 HE2 PHE 6 1HE PHE 6 6.589 6.908 5.381 66 HZ PHE 6 HZ PHE 6 5.086 5.115 6.123 67 QB PHE 6 QB PHE 6 7.174 5.292 0.776 68 QR PHE 6 QR PHE 6 5.756 5.260 3.762 69 H GLY 7 HN GLY 7 5.051 7.754 -1.586 70 1HA GLY 7 1HA GLY 7 7.005 6.647 -3.570 71 2HA GLY 7 2HA GLY 7 5.405 7.133 -4.110 72 QA GLY 7 QA GLY 7 6.205 6.890 -3.840 73 NH1 ARG 8 NH2 ARG 8 7.197 11.406 -9.583 74 NH2 ARG 8 NH1 ARG 8 8.927 11.510 -11.069 75 H ARG 8 HN ARG 8 6.838 8.407 -5.514 76 HA ARG 8 HA ARG 8 7.809 10.962 -4.309 77 1HB ARG 8 2HB ARG 8 9.234 9.489 -5.934 78 2HB ARG 8 3HB ARG 8 8.150 10.045 -7.192 79 1HG ARG 8 2HG ARG 8 9.188 12.228 -5.498 80 2HG ARG 8 3HG ARG 8 10.451 11.360 -6.349 81 1HD ARG 8 2HD ARG 8 8.021 12.690 -7.620 82 2HD ARG 8 3HD ARG 8 9.680 13.262 -7.697 83 HE ARG 8 HE ARG 8 10.152 10.994 -8.891 84 1HH1 ARG 8 2HH2 ARG 8 6.884 11.445 -8.629 85 2HH1 ARG 8 1HH2 ARG 8 6.518 11.310 -10.325 86 1HH2 ARG 8 2HH1 ARG 8 9.911 11.604 -11.233 87 2HH2 ARG 8 1HH1 ARG 8 8.304 11.455 -11.850 88 QB ARG 8 QB ARG 8 8.692 9.767 -6.563 89 QG ARG 8 QG ARG 8 9.820 11.794 -5.923 90 QD ARG 8 QD ARG 8 8.851 12.976 -7.659 91 QH1 ARG 8 QH2 ARG 8 6.701 11.377 -9.477 92 QH2 ARG 8 QH1 ARG 8 9.107 11.529 -11.541 93 H SER 9 HN SER 9 5.365 11.115 -4.001 94 HA SER 9 HA SER 9 3.337 12.146 -4.523 95 1HB SER 9 2HB SER 9 4.865 13.576 -6.728 96 2HB SER 9 3HB SER 9 3.483 14.167 -5.791 97 HG SER 9 HG SER 9 5.342 13.351 -4.047 98 QB SER 9 QB SER 9 4.174 13.871 -6.259 99 H GLY 10 HN GLY 10 4.667 12.068 -7.837 100 1HA GLY 10 1HA GLY 10 2.405 10.272 -8.627 101 2HA GLY 10 2HA GLY 10 2.890 11.643 -9.619 102 QA GLY 10 QA GLY 10 2.647 10.958 -9.123 103 H CYS 11 HN CYS 11 3.875 8.521 -8.391 104 HA CYS 11 HA CYS 11 5.767 8.270 -10.701 105 1HB CYS 11 2HB CYS 11 7.007 8.556 -8.598 106 2HB CYS 11 3HB CYS 11 6.101 7.254 -7.873 107 HG CYS 11 HG CYS 11 7.618 5.592 -8.881 108 QB CYS 11 QB CYS 11 6.554 7.905 -8.236 109 HA PRO 12 HA PRO 12 2.445 5.916 -11.895 110 1HB PRO 12 2HB PRO 12 3.794 3.862 -13.375 111 2HB PRO 12 3HB PRO 12 3.105 5.366 -13.990 112 1HG PRO 12 2HG PRO 12 5.942 4.718 -13.326 113 2HG PRO 12 3HG PRO 12 5.309 5.904 -14.477 114 1HD PRO 12 2HD PRO 12 6.416 6.624 -12.071 115 2HD PRO 12 3HD PRO 12 5.123 7.575 -12.837 116 QB PRO 12 QB PRO 12 3.449 4.614 -13.683 117 QG PRO 12 QG PRO 12 5.625 5.311 -13.902 118 QD PRO 12 QD PRO 12 5.769 7.099 -12.454 119 OH TYR 13 OH TYR 13 7.909 0.125 -13.694 120 H TYR 13 HN TYR 13 4.927 4.014 -10.310 121 HA TYR 13 HA TYR 13 3.291 1.621 -10.077 122 1HB TYR 13 2HB TYR 13 5.721 2.518 -8.478 123 2HB TYR 13 3HB TYR 13 4.983 0.918 -8.368 124 HD1 TYR 13 HD1 TYR 13 4.978 -0.585 -10.352 125 HD2 TYR 13 HD2 TYR 13 7.088 3.116 -10.408 126 HE1 TYR 13 HE1 TYR 13 6.136 -1.271 -12.390 127 HE2 TYR 13 HE2 TYR 13 8.264 2.405 -12.434 128 HH TYR 13 HH TYR 13 8.847 0.296 -13.591 129 QB TYR 13 QB TYR 13 5.352 1.718 -8.423 130 QR TYR 13 QR TYR 13 6.617 0.916 -11.396 131 H CYS 14 HN CYS 14 3.845 4.469 -8.069 132 HA CYS 14 HA CYS 14 2.535 3.431 -5.718 133 1HB CYS 14 2HB CYS 14 2.206 6.318 -6.385 134 2HB CYS 14 3HB CYS 14 2.579 5.561 -4.864 135 HG CYS 14 HG CYS 14 5.024 5.678 -5.333 136 QB CYS 14 QB CYS 14 2.392 5.939 -5.625 137 H VAL 15 HN VAL 15 1.485 5.102 -8.632 138 HA VAL 15 HA VAL 15 -1.233 5.496 -8.016 139 HB VAL 15 HB VAL 15 -0.144 4.577 -10.714 140 1HG1 VAL 15 3HG1 VAL 15 -2.625 4.610 -10.502 141 2HG1 VAL 15 1HG1 VAL 15 -2.545 6.286 -9.966 142 3HG1 VAL 15 2HG1 VAL 15 -2.058 5.858 -11.604 143 1HG2 VAL 15 2HG2 VAL 15 -0.345 7.381 -9.543 144 2HG2 VAL 15 3HG2 VAL 15 1.152 6.507 -9.833 145 3HG2 VAL 15 1HG2 VAL 15 0.148 6.995 -11.189 146 QG1 VAL 15 QG1 VAL 15 -2.410 5.585 -10.691 147 QG2 VAL 15 QG2 VAL 15 0.319 6.961 -10.188 148 QQG VAL 15 QQG VAL 15 -1.045 6.273 -10.439 149 NH1 ARG 16 NH2 ARG 16 -3.093 -1.742 -8.831 150 NH2 ARG 16 NH1 ARG 16 -4.242 -0.926 -10.601 151 H ARG 16 HN ARG 16 0.451 2.582 -9.068 152 HA ARG 16 HA ARG 16 -1.966 0.949 -9.195 153 1HB ARG 16 2HB ARG 16 0.982 0.261 -9.230 154 2HB ARG 16 3HB ARG 16 -0.268 -0.965 -9.272 155 1HG ARG 16 2HG ARG 16 0.013 1.288 -11.289 156 2HG ARG 16 3HG ARG 16 0.525 -0.374 -11.556 157 1HD ARG 16 2HD ARG 16 -2.291 0.699 -11.249 158 2HD ARG 16 3HD ARG 16 -1.628 -0.280 -12.552 159 HE ARG 16 HE ARG 16 -1.545 -2.199 -10.869 160 1HH1 ARG 16 2HH2 ARG 16 -2.245 -2.141 -8.469 161 2HH1 ARG 16 1HH2 ARG 16 -3.913 -1.674 -8.247 162 1HH2 ARG 16 2HH1 ARG 16 -4.252 -0.633 -11.553 163 2HH2 ARG 16 1HH1 ARG 16 -5.093 -0.922 -10.067 164 QB ARG 16 QB ARG 16 0.357 -0.352 -9.251 165 QG ARG 16 QG ARG 16 0.269 0.457 -11.422 166 QD ARG 16 QD ARG 16 -1.960 0.210 -11.901 167 QH1 ARG 16 QH2 ARG 16 -3.079 -1.907 -8.358 168 QH2 ARG 16 QH1 ARG 16 -4.672 -0.777 -10.810 169 H ALA 17 HN ALA 17 0.783 1.044 -6.911 170 HA ALA 17 HA ALA 17 -0.216 -0.828 -5.028 171 1HB ALA 17 3HB ALA 17 2.023 0.288 -4.843 172 2HB ALA 17 1HB ALA 17 1.211 1.781 -4.395 173 3HB ALA 17 2HB ALA 17 1.118 0.374 -3.340 174 QB ALA 17 QB ALA 17 1.451 0.815 -4.193 175 H LYS 18 HN LYS 18 -0.824 2.565 -5.451 176 HA LYS 18 HA LYS 18 -2.651 3.036 -3.344 177 1HB LYS 18 2HB LYS 18 -1.754 4.923 -4.552 178 2HB LYS 18 3HB LYS 18 -2.301 4.290 -6.091 179 1HG LYS 18 2HG LYS 18 -4.415 4.780 -4.032 180 2HG LYS 18 3HG LYS 18 -3.653 6.199 -4.736 181 1HD LYS 18 2HD LYS 18 -4.716 5.912 -6.726 182 2HD LYS 18 3HD LYS 18 -4.325 4.206 -6.790 183 1HE LYS 18 2HE LYS 18 -6.732 4.385 -6.647 184 2HE LYS 18 3HE LYS 18 -6.164 3.806 -5.089 185 1HZ LYS 18 2HZ LYS 18 -6.231 6.662 -5.212 186 2HZ LYS 18 3HZ LYS 18 -7.767 5.957 -5.510 187 3HZ LYS 18 1HZ LYS 18 -6.930 5.608 -4.080 188 QB LYS 18 QB LYS 18 -2.028 4.606 -5.321 189 QG LYS 18 QG LYS 18 -4.034 5.489 -4.384 190 QD LYS 18 QD LYS 18 -4.521 5.059 -6.758 191 QE LYS 18 QE LYS 18 -6.448 4.096 -5.868 192 QZ LYS 18 QZ LYS 18 -6.976 6.076 -4.934 193 H ASP 19 HN ASP 19 -3.362 2.359 -6.810 194 HA ASP 19 HA ASP 19 -6.125 1.960 -6.494 195 1HB ASP 19 2HB ASP 19 -5.334 1.883 -8.733 196 2HB ASP 19 3HB ASP 19 -4.147 0.637 -8.360 197 QB ASP 19 QB ASP 19 -4.740 1.260 -8.547 198 H LEU 20 HN LEU 20 -3.647 -0.605 -6.345 199 HA LEU 20 HA LEU 20 -5.291 -2.761 -5.668 200 1HB LEU 20 2HB LEU 20 -2.846 -2.967 -6.077 201 2HB LEU 20 3HB LEU 20 -2.522 -2.154 -4.556 202 HG LEU 20 HG LEU 20 -3.500 -3.982 -3.292 203 1HD1 LEU 20 2HD1 LEU 20 -4.129 -5.236 -5.998 204 2HD1 LEU 20 3HD1 LEU 20 -4.303 -6.043 -4.441 205 3HD1 LEU 20 1HD1 LEU 20 -5.309 -4.655 -4.825 206 1HD2 LEU 20 1HD2 LEU 20 -1.628 -4.951 -5.480 207 2HD2 LEU 20 2HD2 LEU 20 -1.152 -4.227 -3.948 208 3HD2 LEU 20 3HD2 LEU 20 -1.925 -5.808 -3.974 209 QB LEU 20 QB LEU 20 -2.684 -2.560 -5.317 210 QD1 LEU 20 QD1 LEU 20 -4.580 -5.311 -5.088 211 QD2 LEU 20 QD2 LEU 20 -1.568 -4.995 -4.467 212 QQD LEU 20 QQD LEU 20 -3.074 -5.153 -4.778 213 H ALA 21 HN ALA 21 -3.723 -0.460 -3.471 214 HA ALA 21 HA ALA 21 -4.860 -1.486 -1.081 215 1HB ALA 21 1HB ALA 21 -2.976 0.147 -1.195 216 2HB ALA 21 2HB ALA 21 -4.106 1.394 -1.705 217 3HB ALA 21 3HB ALA 21 -4.245 0.674 -0.109 218 QB ALA 21 QB ALA 21 -3.776 0.738 -1.003 219 H GLU 22 HN GLU 22 -6.024 1.067 -3.249 220 HA GLU 22 HA GLU 22 -8.361 1.736 -1.732 221 1HB GLU 22 2HB GLU 22 -7.278 3.092 -3.554 222 2HB GLU 22 3HB GLU 22 -7.907 1.952 -4.724 223 1HG GLU 22 2HG GLU 22 -10.117 2.630 -4.431 224 2HG GLU 22 3HG GLU 22 -9.825 3.255 -2.807 225 QB GLU 22 QB GLU 22 -7.592 2.522 -4.139 226 QG GLU 22 QG GLU 22 -9.971 2.942 -3.619 227 H LYS 23 HN LYS 23 -7.979 -0.376 -4.550 228 HA LYS 23 HA LYS 23 -10.647 -1.254 -4.763 229 1HB LYS 23 2HB LYS 23 -8.268 -1.844 -6.099 230 2HB LYS 23 3HB LYS 23 -8.642 -3.364 -5.307 231 1HG LYS 23 2HG LYS 23 -10.237 -1.869 -7.389 232 2HG LYS 23 3HG LYS 23 -9.764 -3.558 -7.364 233 1HD LYS 23 2HD LYS 23 -11.316 -3.554 -5.158 234 2HD LYS 23 3HD LYS 23 -12.069 -2.207 -5.990 235 1HE LYS 23 2HE LYS 23 -13.237 -4.245 -6.600 236 2HE LYS 23 3HE LYS 23 -12.345 -3.669 -8.007 237 1HZ LYS 23 3HZ LYS 23 -10.612 -5.301 -6.566 238 2HZ LYS 23 1HZ LYS 23 -12.091 -6.135 -6.612 239 3HZ LYS 23 2HZ LYS 23 -11.345 -5.633 -8.066 240 QB LYS 23 QB LYS 23 -8.455 -2.604 -5.703 241 QG LYS 23 QG LYS 23 -10.000 -2.714 -7.376 242 QD LYS 23 QD LYS 23 -11.692 -2.880 -5.574 243 QE LYS 23 QE LYS 23 -12.791 -3.957 -7.304 244 QZ LYS 23 QZ LYS 23 -11.349 -5.689 -7.081 245 H LEU 24 HN LEU 24 -7.861 -2.713 -3.038 246 HA LEU 24 HA LEU 24 -9.291 -4.826 -1.798 247 1HB LEU 24 2HB LEU 24 -7.006 -3.081 -0.748 248 2HB LEU 24 3HB LEU 24 -7.600 -4.485 0.121 249 HG LEU 24 HG LEU 24 -6.689 -4.677 -2.766 250 1HD1 LEU 24 1HD1 LEU 24 -5.040 -5.080 -0.245 251 2HD1 LEU 24 2HD1 LEU 24 -4.509 -5.444 -1.876 252 3HD1 LEU 24 3HD1 LEU 24 -4.819 -3.781 -1.410 253 1HD2 LEU 24 3HD2 LEU 24 -6.932 -6.698 -0.500 254 2HD2 LEU 24 1HD2 LEU 24 -8.050 -6.549 -1.848 255 3HD2 LEU 24 2HD2 LEU 24 -6.394 -7.062 -2.135 256 QB LEU 24 QB LEU 24 -7.303 -3.783 -0.313 257 QD1 LEU 24 QD1 LEU 24 -4.789 -4.768 -1.177 258 QD2 LEU 24 QD2 LEU 24 -7.125 -6.770 -1.494 259 QQD LEU 24 QQD LEU 24 -5.957 -5.769 -1.336 260 H SER 25 HN SER 25 -8.680 -1.516 -0.652 261 HA SER 25 HA SER 25 -10.182 -1.385 1.631 262 1HB SER 25 2HB SER 25 -8.952 0.527 0.335 263 2HB SER 25 3HB SER 25 -10.521 0.807 -0.432 264 HG SER 25 HG SER 25 -10.622 0.410 2.302 265 QB SER 25 QB SER 25 -9.736 0.667 -0.048 266 H ASN 26 HN ASN 26 -11.491 -1.851 -1.538 267 HA ASN 26 HA ASN 26 -14.274 -1.396 -0.587 268 1HB ASN 26 2HB ASN 26 -13.683 -0.347 -2.721 269 2HB ASN 26 3HB ASN 26 -13.136 -1.886 -3.365 270 1HD2 ASN 26 2HD2 ASN 26 -17.086 -2.310 -2.709 271 2HD2 ASN 26 1HD2 ASN 26 -15.974 -2.288 -1.431 272 QB ASN 26 QB ASN 26 -13.409 -1.117 -3.043 273 QD2 ASN 26 QD2 ASN 26 -16.530 -2.299 -2.070 274 H GLU 27 HN GLU 27 -12.217 -3.907 -1.990 275 HA GLU 27 HA GLU 27 -14.291 -5.943 -2.077 276 1HB GLU 27 2HB GLU 27 -11.279 -6.370 -1.971 277 2HB GLU 27 3HB GLU 27 -12.478 -7.469 -2.642 278 1HG GLU 27 2HG GLU 27 -13.062 -5.776 -4.342 279 2HG GLU 27 3HG GLU 27 -11.889 -4.682 -3.674 280 QB GLU 27 QB GLU 27 -11.879 -6.919 -2.306 281 QG GLU 27 QG GLU 27 -12.476 -5.229 -4.008 282 NH1 ARG 28 NH1 ARG 28 -10.908 -8.390 5.237 283 NH2 ARG 28 NH2 ARG 28 -12.816 -8.739 4.073 284 H ARG 28 HN ARG 28 -12.069 -4.831 0.304 285 HA ARG 28 HA ARG 28 -12.684 -7.107 2.115 286 1HB ARG 28 2HB ARG 28 -10.611 -4.904 2.139 287 2HB ARG 28 3HB ARG 28 -10.830 -6.001 3.490 288 1HG ARG 28 2HG ARG 28 -10.638 -7.376 0.878 289 2HG ARG 28 3HG ARG 28 -9.191 -6.457 1.281 290 1HD ARG 28 2HD ARG 28 -8.898 -8.654 2.212 291 2HD ARG 28 3HD ARG 28 -9.235 -7.581 3.561 292 HE ARG 28 HE ARG 28 -11.038 -9.694 2.459 293 1HH1 ARG 28 2HH1 ARG 28 -9.917 -8.364 5.271 294 2HH1 ARG 28 1HH1 ARG 28 -11.447 -8.178 6.064 295 1HH2 ARG 28 2HH2 ARG 28 -13.271 -8.985 3.213 296 2HH2 ARG 28 1HH2 ARG 28 -13.364 -8.528 4.895 297 QB ARG 28 QB ARG 28 -10.720 -5.452 2.815 298 QG ARG 28 QG ARG 28 -9.915 -6.916 1.080 299 QD ARG 28 QD ARG 28 -9.066 -8.117 2.887 300 QH1 ARG 28 QH1 ARG 28 -10.682 -8.271 5.668 301 QH2 ARG 28 QH2 ARG 28 -13.317 -8.756 4.054 302 H ASP 29 HN ASP 29 -12.780 -6.371 4.498 303 HA ASP 29 HA ASP 29 -14.808 -4.193 4.716 304 1HB ASP 29 2HB ASP 29 -15.495 -5.367 6.842 305 2HB ASP 29 3HB ASP 29 -15.762 -6.309 5.391 306 QB ASP 29 QB ASP 29 -15.629 -5.838 6.116 307 H ASP 30 HN ASP 30 -11.938 -5.551 6.304 308 HA ASP 30 HA ASP 30 -11.674 -2.982 7.834 309 1HB ASP 30 2HB ASP 30 -11.703 -4.853 9.359 310 2HB ASP 30 3HB ASP 30 -10.554 -5.753 8.378 311 QB ASP 30 QB ASP 30 -11.129 -5.303 8.868 312 H PHE 31 HN PHE 31 -11.025 -2.636 5.325 313 HA PHE 31 HA PHE 31 -8.043 -2.600 5.371 314 1HB PHE 31 2HB PHE 31 -9.046 -4.396 3.823 315 2HB PHE 31 3HB PHE 31 -9.626 -3.064 2.830 316 HD1 PHE 31 1HD PHE 31 -7.832 -1.259 2.176 317 HD2 PHE 31 2HD PHE 31 -6.845 -5.209 3.454 318 HE1 PHE 31 1HE PHE 31 -5.612 -1.022 1.204 319 HE2 PHE 31 2HE PHE 31 -4.612 -4.943 2.470 320 HZ PHE 31 HZ PHE 31 -4.001 -2.875 1.322 321 QB PHE 31 QB PHE 31 -9.336 -3.730 3.327 322 QR PHE 31 QR PHE 31 -6.225 -3.108 2.326 323 H GLN 32 HN GLN 32 -7.552 -0.552 5.615 324 HA GLN 32 HA GLN 32 -8.875 1.495 3.867 325 1HB GLN 32 2HB GLN 32 -7.678 1.962 6.634 326 2HB GLN 32 3HB GLN 32 -8.621 3.103 5.686 327 1HG GLN 32 2HG GLN 32 -10.638 1.800 5.974 328 2HG GLN 32 3HG GLN 32 -9.745 0.451 6.664 329 1HE2 GLN 32 2HE2 GLN 32 -11.272 2.654 9.373 330 2HE2 GLN 32 1HE2 GLN 32 -11.938 2.005 7.951 331 QB GLN 32 QB GLN 32 -8.149 2.532 6.160 332 QG GLN 32 QG GLN 32 -10.192 1.125 6.319 333 QE2 GLN 32 QE2 GLN 32 -11.605 2.329 8.662 334 OH TYR 33 OH TYR 33 -6.670 5.936 -2.346 335 H TYR 33 HN TYR 33 -7.293 3.122 3.071 336 HA TYR 33 HA TYR 33 -4.463 2.416 3.658 337 1HB TYR 33 2HB TYR 33 -3.841 2.030 1.448 338 2HB TYR 33 3HB TYR 33 -5.436 1.286 1.498 339 HD1 TYR 33 HD1 TYR 33 -7.434 2.624 0.644 340 HD2 TYR 33 HD2 TYR 33 -3.418 3.910 0.038 341 HE1 TYR 33 HE1 TYR 33 -8.205 4.254 -1.017 342 HE2 TYR 33 HE2 TYR 33 -4.188 5.527 -1.631 343 HH TYR 33 HH TYR 33 -7.646 5.935 -2.311 344 QB TYR 33 QB TYR 33 -4.638 1.658 1.473 345 QR TYR 33 QR TYR 33 -5.811 4.079 -0.492 346 H GLN 34 HN GLN 34 -2.974 4.010 3.207 347 HA GLN 34 HA GLN 34 -4.036 6.725 2.550 348 1HB GLN 34 2HB GLN 34 -1.798 7.170 4.190 349 2HB GLN 34 3HB GLN 34 -3.458 7.458 4.638 350 1HG GLN 34 2HG GLN 34 -2.028 4.812 5.017 351 2HG GLN 34 3HG GLN 34 -2.199 6.028 6.273 352 1HE2 GLN 34 2HE2 GLN 34 -5.121 3.413 5.757 353 2HE2 GLN 34 1HE2 GLN 34 -3.530 3.226 5.178 354 QB GLN 34 QB GLN 34 -2.628 7.314 4.414 355 QG GLN 34 QG GLN 34 -2.114 5.420 5.645 356 QE2 GLN 34 QE2 GLN 34 -4.326 3.319 5.468 357 OH TYR 35 OH TYR 35 2.966 8.508 -4.743 358 H TYR 35 HN TYR 35 -2.440 8.118 1.606 359 HA TYR 35 HA TYR 35 -0.210 6.574 0.354 360 1HB TYR 35 2HB TYR 35 -1.904 7.254 -1.311 361 2HB TYR 35 3HB TYR 35 -1.764 8.932 -0.794 362 HD1 TYR 35 HD2 TYR 35 1.154 6.671 -1.079 363 HD2 TYR 35 HD1 TYR 35 -1.033 9.771 -2.995 364 HE1 TYR 35 HE2 TYR 35 2.948 6.919 -2.700 365 HE2 TYR 35 HE1 TYR 35 0.766 9.987 -4.650 366 HH TYR 35 HH TYR 35 2.709 9.170 -5.398 367 QB TYR 35 QB TYR 35 -1.834 8.093 -1.052 368 QR TYR 35 QR TYR 35 0.959 8.337 -2.856 369 H VAL 36 HN VAL 36 1.778 7.444 0.533 370 HA VAL 36 HA VAL 36 2.029 10.045 1.960 371 HB VAL 36 HB VAL 36 3.394 7.369 2.301 372 1HG1 VAL 36 2HG1 VAL 36 4.499 10.053 3.177 373 2HG1 VAL 36 3HG1 VAL 36 5.094 8.496 3.733 374 3HG1 VAL 36 1HG1 VAL 36 5.250 8.946 2.039 375 1HG2 VAL 36 3HG2 VAL 36 1.448 7.985 3.731 376 2HG2 VAL 36 1HG2 VAL 36 2.925 7.826 4.678 377 3HG2 VAL 36 2HG2 VAL 36 2.312 9.422 4.268 378 QG1 VAL 36 QG1 VAL 36 4.948 9.165 2.983 379 QG2 VAL 36 QG2 VAL 36 2.229 8.411 4.226 380 QQG VAL 36 QQG VAL 36 3.588 8.788 3.604 381 H ASP 37 HN ASP 37 3.477 11.448 1.201 382 HA ASP 37 HA ASP 37 4.872 10.798 -1.359 383 1HB ASP 37 2HB ASP 37 3.319 12.655 -1.583 384 2HB ASP 37 3HB ASP 37 3.910 13.391 -0.108 385 QB ASP 37 QB ASP 37 3.615 13.023 -0.846 386 H ILE 38 HN ILE 38 7.004 10.425 -1.053 387 HA ILE 38 HA ILE 38 8.291 10.737 1.449 388 HB ILE 38 HB ILE 38 10.395 10.327 0.305 389 1HG1 ILE 38 2HG1 ILE 38 9.060 10.412 -2.387 390 2HG1 ILE 38 3HG1 ILE 38 9.663 11.909 -1.694 391 1HG2 ILE 38 1HG2 ILE 38 8.097 8.761 -0.921 392 2HG2 ILE 38 2HG2 ILE 38 9.774 8.237 -0.891 393 3HG2 ILE 38 3HG2 ILE 38 8.881 8.412 0.613 394 1HD1 ILE 38 3HD1 ILE 38 11.299 9.381 -2.081 395 2HD1 ILE 38 1HD1 ILE 38 11.408 10.831 -3.072 396 3HD1 ILE 38 2HD1 ILE 38 11.891 10.884 -1.376 397 QG1 ILE 38 QG1 ILE 38 9.361 11.160 -2.041 398 QG2 ILE 38 QG2 ILE 38 8.917 8.470 -0.400 399 QD1 ILE 38 QD1 ILE 38 11.532 10.366 -2.176 400 NH1 ARG 39 NH2 ARG 39 5.881 16.279 -3.891 401 NH2 ARG 39 NH1 ARG 39 6.813 17.583 -5.495 402 H ARG 39 HN ARG 39 7.611 13.085 -0.958 403 HA ARG 39 HA ARG 39 9.731 14.922 -0.027 404 1HB ARG 39 2HB ARG 39 8.985 14.859 -2.429 405 2HB ARG 39 3HB ARG 39 7.412 15.447 -1.928 406 1HG ARG 39 2HG ARG 39 8.475 17.499 -0.999 407 2HG ARG 39 3HG ARG 39 10.050 16.901 -1.500 408 1HD ARG 39 2HD ARG 39 9.384 18.396 -3.237 409 2HD ARG 39 3HD ARG 39 9.095 16.782 -3.883 410 HE ARG 39 HE ARG 39 6.906 18.517 -2.763 411 1HH1 ARG 39 2HH2 ARG 39 5.779 16.043 -2.922 412 2HH1 ARG 39 1HH2 ARG 39 5.392 15.725 -4.565 413 1HH2 ARG 39 2HH1 ARG 39 7.441 18.323 -5.731 414 2HH2 ARG 39 1HH1 ARG 39 6.308 17.111 -6.214 415 QB ARG 39 QB ARG 39 8.199 15.153 -2.179 416 QG ARG 39 QG ARG 39 9.262 17.200 -1.249 417 QD ARG 39 QD ARG 39 9.239 17.589 -3.560 418 QH1 ARG 39 QH2 ARG 39 5.586 15.884 -3.743 419 QH2 ARG 39 QH1 ARG 39 6.874 17.717 -5.973 420 H ALA 40 HN ALA 40 6.193 15.117 -0.269 421 HA ALA 40 HA ALA 40 5.535 17.307 1.196 422 1HB ALA 40 1HB ALA 40 3.858 15.710 0.317 423 2HB ALA 40 2HB ALA 40 4.277 14.569 1.593 424 3HB ALA 40 3HB ALA 40 3.526 16.109 2.001 425 QB ALA 40 QB ALA 40 3.887 15.463 1.304 426 H GLU 41 HN GLU 41 6.489 14.221 2.616 427 HA GLU 41 HA GLU 41 6.487 15.444 5.311 428 1HB GLU 41 2HB GLU 41 6.925 12.608 4.328 429 2HB GLU 41 3HB GLU 41 7.010 13.071 6.028 430 1HG GLU 41 2HG GLU 41 4.700 13.956 5.909 431 2HG GLU 41 3HG GLU 41 4.613 13.519 4.205 432 QB GLU 41 QB GLU 41 6.967 12.839 5.178 433 QG GLU 41 QG GLU 41 4.656 13.737 5.057 434 H GLY 42 HN GLY 42 8.844 13.917 3.118 435 1HA GLY 42 1HA GLY 42 11.125 14.832 2.990 436 2HA GLY 42 2HA GLY 42 10.998 15.286 4.689 437 QA GLY 42 QA GLY 42 11.062 15.059 3.839 438 H ILE 43 HN ILE 43 10.460 12.341 2.824 439 HA ILE 43 HA ILE 43 12.024 10.816 4.863 440 HB ILE 43 HB ILE 43 10.229 9.460 2.861 441 1HG1 ILE 43 2HG1 ILE 43 9.186 10.869 5.355 442 2HG1 ILE 43 3HG1 ILE 43 8.881 11.393 3.705 443 1HG2 ILE 43 3HG2 ILE 43 11.617 8.208 4.512 444 2HG2 ILE 43 1HG2 ILE 43 10.775 9.030 5.821 445 3HG2 ILE 43 2HG2 ILE 43 9.903 7.927 4.760 446 1HD1 ILE 43 1HD1 ILE 43 7.769 9.231 3.219 447 2HD1 ILE 43 2HD1 ILE 43 8.013 8.739 4.890 448 3HD1 ILE 43 3HD1 ILE 43 6.968 10.107 4.523 449 QG1 ILE 43 QG1 ILE 43 9.034 11.131 4.530 450 QG2 ILE 43 QG2 ILE 43 10.765 8.388 5.031 451 QD1 ILE 43 QD1 ILE 43 7.583 9.359 4.211 452 H THR 44 HN THR 44 13.963 9.981 4.104 453 HA THR 44 HA THR 44 14.282 9.866 1.133 454 HB THR 44 HB THR 44 16.632 10.541 1.433 455 HG1 THR 44 1HG THR 44 17.420 9.833 3.267 456 1HG2 THR 44 3HG2 THR 44 14.913 12.435 1.687 457 2HG2 THR 44 1HG2 THR 44 14.980 12.170 3.427 458 3HG2 THR 44 2HG2 THR 44 16.411 12.718 2.565 459 QG2 THR 44 QG2 THR 44 15.434 12.441 2.559 460 H LYS 45 HN LYS 45 15.925 8.326 0.415 461 HA LYS 45 HA LYS 45 15.457 5.687 0.957 462 1HB LYS 45 2HB LYS 45 18.367 6.314 0.552 463 2HB LYS 45 3HB LYS 45 17.334 5.196 -0.323 464 1HG LYS 45 2HG LYS 45 17.717 6.872 -1.924 465 2HG LYS 45 3HG LYS 45 16.168 7.358 -1.250 466 1HD LYS 45 2HD LYS 45 17.315 9.387 -1.099 467 2HD LYS 45 3HD LYS 45 17.733 8.706 0.467 468 1HE LYS 45 2HE LYS 45 19.747 7.636 -0.905 469 2HE LYS 45 3HE LYS 45 19.428 8.986 -1.986 470 1HZ LYS 45 3HZ LYS 45 19.435 9.865 0.711 471 2HZ LYS 45 1HZ LYS 45 20.842 8.992 0.395 472 3HZ LYS 45 2HZ LYS 45 20.462 10.347 -0.571 473 QB LYS 45 QB LYS 45 17.851 5.755 0.115 474 QG LYS 45 QG LYS 45 16.943 7.115 -1.587 475 QD LYS 45 QD LYS 45 17.524 9.046 -0.316 476 QE LYS 45 QE LYS 45 19.588 8.311 -1.445 477 QZ LYS 45 QZ LYS 45 20.247 9.735 0.178 478 H GLU 46 HN GLU 46 17.889 7.641 2.639 479 HA GLU 46 HA GLU 46 18.884 5.586 4.354 480 1HB GLU 46 2HB GLU 46 18.663 8.580 4.880 481 2HB GLU 46 3HB GLU 46 19.603 7.461 5.852 482 1HG GLU 46 2HG GLU 46 21.091 8.547 4.257 483 2HG GLU 46 3HG GLU 46 20.924 6.854 3.812 484 QB GLU 46 QB GLU 46 19.133 8.021 5.366 485 QG GLU 46 QG GLU 46 21.008 7.700 4.035 486 H ASP 47 HN ASP 47 16.452 8.112 5.022 487 HA ASP 47 HA ASP 47 15.750 7.115 7.621 488 1HB ASP 47 2HB ASP 47 15.145 9.397 6.573 489 2HB ASP 47 3HB ASP 47 13.865 8.560 5.703 490 QB ASP 47 QB ASP 47 14.505 8.978 6.138 491 H LEU 48 HN LEU 48 14.462 6.450 4.450 492 HA LEU 48 HA LEU 48 12.289 4.742 5.200 493 1HB LEU 48 2HB LEU 48 14.048 4.937 2.717 494 2HB LEU 48 3HB LEU 48 12.727 3.794 2.801 495 HG LEU 48 HG LEU 48 12.420 6.788 3.220 496 1HD1 LEU 48 2HD1 LEU 48 13.086 6.232 0.886 497 2HD1 LEU 48 3HD1 LEU 48 11.754 5.081 0.783 498 3HD1 LEU 48 1HD1 LEU 48 11.424 6.803 0.961 499 1HD2 LEU 48 2HD2 LEU 48 10.385 4.548 2.821 500 2HD2 LEU 48 3HD2 LEU 48 10.656 5.431 4.318 501 3HD2 LEU 48 1HD2 LEU 48 9.992 6.262 2.923 502 QB LEU 48 QB LEU 48 13.388 4.366 2.759 503 QD1 LEU 48 QD1 LEU 48 12.088 6.039 0.877 504 QD2 LEU 48 QD2 LEU 48 10.345 5.414 3.354 505 QQD LEU 48 QQD LEU 48 11.216 5.726 2.115 506 H GLN 49 HN GLN 49 15.630 4.015 4.298 507 HA GLN 49 HA GLN 49 15.694 1.256 4.449 508 1HB GLN 49 2HB GLN 49 17.638 2.737 3.940 509 2HB GLN 49 3HB GLN 49 17.733 3.182 5.632 510 1HG GLN 49 2HG GLN 49 17.712 0.298 5.431 511 2HG GLN 49 3HG GLN 49 18.948 0.948 4.360 512 1HE2 GLN 49 2HE2 GLN 49 21.034 1.981 7.009 513 2HE2 GLN 49 1HE2 GLN 49 20.827 1.821 5.332 514 QB GLN 49 QB GLN 49 17.685 2.959 4.786 515 QG GLN 49 QG GLN 49 18.330 0.623 4.896 516 QE2 GLN 49 QE2 GLN 49 20.930 1.901 6.170 517 H GLN 50 HN GLN 50 16.344 3.438 7.153 518 HA GLN 50 HA GLN 50 16.462 1.673 9.285 519 1HB GLN 50 2HB GLN 50 16.660 4.294 9.194 520 2HB GLN 50 3HB GLN 50 14.925 4.282 9.404 521 1HG GLN 50 2HG GLN 50 15.887 4.522 11.583 522 2HG GLN 50 3HG GLN 50 15.193 2.913 11.490 523 1HE2 GLN 50 2HE2 GLN 50 19.049 2.205 10.853 524 2HE2 GLN 50 1HE2 GLN 50 17.963 2.674 9.636 525 QB GLN 50 QB GLN 50 15.792 4.288 9.299 526 QG GLN 50 QG GLN 50 15.540 3.718 11.536 527 QE2 GLN 50 QE2 GLN 50 18.506 2.439 10.245 528 H LYS 51 HN LYS 51 13.602 2.974 7.785 529 HA LYS 51 HA LYS 51 11.794 1.585 9.677 530 1HB LYS 51 2HB LYS 51 11.650 3.762 7.651 531 2HB LYS 51 3HB LYS 51 10.169 2.896 7.962 532 1HG LYS 51 2HG LYS 51 10.372 3.397 10.386 533 2HG LYS 51 3HG LYS 51 11.909 4.201 10.101 534 1HD LYS 51 2HD LYS 51 9.275 5.057 8.836 535 2HD LYS 51 3HD LYS 51 9.932 5.783 10.294 536 1HE LYS 51 2HE LYS 51 11.319 5.717 7.584 537 2HE LYS 51 3HE LYS 51 10.502 7.112 8.269 538 1HZ LYS 51 3HZ LYS 51 12.292 6.204 10.193 539 2HZ LYS 51 1HZ LYS 51 13.130 6.212 8.714 540 3HZ LYS 51 2HZ LYS 51 12.384 7.642 9.256 541 QB LYS 51 QB LYS 51 10.909 3.329 7.807 542 QG LYS 51 QG LYS 51 11.141 3.799 10.244 543 QD LYS 51 QD LYS 51 9.603 5.420 9.565 544 QE LYS 51 QE LYS 51 10.911 6.415 7.927 545 QZ LYS 51 QZ LYS 51 12.602 6.686 9.388 546 H ALA 52 HN ALA 52 13.205 0.807 6.768 547 HA ALA 52 HA ALA 52 10.856 -0.845 5.943 548 1HB ALA 52 2HB ALA 52 13.193 0.253 4.385 549 2HB ALA 52 3HB ALA 52 11.973 -0.816 3.710 550 3HB ALA 52 1HB ALA 52 11.517 0.782 4.292 551 QB ALA 52 QB ALA 52 12.228 0.073 4.129 552 H GLY 53 HN GLY 53 14.319 -0.920 6.410 553 1HA GLY 53 1HA GLY 53 15.842 -2.653 6.700 554 2HA GLY 53 2HA GLY 53 14.502 -3.507 7.440 555 QA GLY 53 QA GLY 53 15.172 -3.080 7.070 556 H LYS 54 HN LYS 54 14.934 -2.549 4.018 557 HA LYS 54 HA LYS 54 15.180 -5.449 3.359 558 1HB LYS 54 2HB LYS 54 13.124 -3.568 2.166 559 2HB LYS 54 3HB LYS 54 13.564 -5.086 1.411 560 1HG LYS 54 2HG LYS 54 12.959 -6.224 3.618 561 2HG LYS 54 3HG LYS 54 12.253 -4.697 4.126 562 1HD LYS 54 2HD LYS 54 10.904 -4.756 1.930 563 2HD LYS 54 3HD LYS 54 11.459 -6.404 1.736 564 1HE LYS 54 2HE LYS 54 9.780 -5.316 4.016 565 2HE LYS 54 3HE LYS 54 9.245 -6.414 2.757 566 1HZ LYS 54 1HZ LYS 54 11.522 -7.448 4.134 567 2HZ LYS 54 2HZ LYS 54 10.237 -7.104 5.208 568 3HZ LYS 54 3HZ LYS 54 9.991 -8.148 3.882 569 QB LYS 54 QB LYS 54 13.344 -4.327 1.788 570 QG LYS 54 QG LYS 54 12.606 -5.460 3.872 571 QD LYS 54 QD LYS 54 11.181 -5.580 1.833 572 QE LYS 54 QE LYS 54 9.513 -5.865 3.386 573 QZ LYS 54 QZ LYS 54 10.583 -7.567 4.408 574 HA PRO 55 HA PRO 55 16.819 -3.937 -0.852 575 1HB PRO 55 2HB PRO 55 14.317 -5.551 -1.306 576 2HB PRO 55 3HB PRO 55 15.786 -5.467 -2.289 577 1HG PRO 55 2HG PRO 55 15.291 -7.541 -0.561 578 2HG PRO 55 3HG PRO 55 16.930 -6.994 -0.935 579 1HD PRO 55 2HD PRO 55 15.401 -6.692 1.582 580 2HD PRO 55 3HD PRO 55 17.144 -6.495 1.310 581 QB PRO 55 QB PRO 55 15.051 -5.509 -1.798 582 QG PRO 55 QG PRO 55 16.110 -7.268 -0.748 583 QD PRO 55 QD PRO 55 16.272 -6.593 1.446 584 H VAL 56 HN VAL 56 16.240 -1.827 0.062 585 HA VAL 56 HA VAL 56 13.440 -1.000 -0.318 586 HB VAL 56 HB VAL 56 14.183 1.056 0.844 587 1HG1 VAL 56 3HG1 VAL 56 14.871 -1.574 2.179 588 2HG1 VAL 56 1HG1 VAL 56 14.533 -0.074 3.024 589 3HG1 VAL 56 2HG1 VAL 56 13.269 -0.866 2.088 590 1HG2 VAL 56 2HG2 VAL 56 16.805 -0.451 1.041 591 2HG2 VAL 56 3HG2 VAL 56 16.537 1.047 0.148 592 3HG2 VAL 56 1HG2 VAL 56 16.410 1.031 1.897 593 QG1 VAL 56 QG1 VAL 56 14.224 -0.838 2.430 594 QG2 VAL 56 QG2 VAL 56 16.584 0.542 1.029 595 QQG VAL 56 QQG VAL 56 15.404 -0.148 1.729 596 H GLU 57 HN GLU 57 16.666 -0.086 -1.410 597 HA GLU 57 HA GLU 57 17.383 1.154 -3.256 598 1HB GLU 57 2HB GLU 57 15.940 -0.567 -4.416 599 2HB GLU 57 3HB GLU 57 14.607 0.572 -4.352 600 1HG GLU 57 2HG GLU 57 16.625 2.137 -5.413 601 2HG GLU 57 3HG GLU 57 16.984 0.561 -6.106 602 QB GLU 57 QB GLU 57 15.274 0.002 -4.384 603 QG GLU 57 QG GLU 57 16.804 1.349 -5.759 604 H THR 58 HN THR 58 14.340 2.406 -4.307 605 HA THR 58 HA THR 58 14.697 4.756 -2.506 606 HB THR 58 HB THR 58 14.387 6.340 -4.359 607 HG1 THR 58 1HG THR 58 14.291 3.981 -5.967 608 1HG2 THR 58 2HG2 THR 58 16.730 5.414 -4.032 609 2HG2 THR 58 3HG2 THR 58 16.358 4.171 -5.221 610 3HG2 THR 58 1HG2 THR 58 16.395 5.865 -5.701 611 QG2 THR 58 QG2 THR 58 16.494 5.150 -4.985 612 H VAL 59 HN VAL 59 12.433 4.468 -5.102 613 HA VAL 59 HA VAL 59 10.216 4.092 -3.169 614 HB VAL 59 HB VAL 59 8.962 5.913 -4.488 615 1HG1 VAL 59 2HG1 VAL 59 9.961 6.298 -2.234 616 2HG1 VAL 59 3HG1 VAL 59 11.479 6.752 -2.996 617 3HG1 VAL 59 1HG1 VAL 59 10.043 7.745 -3.234 618 1HG2 VAL 59 1HG2 VAL 59 11.792 6.478 -5.459 619 2HG2 VAL 59 2HG2 VAL 59 10.465 5.900 -6.464 620 3HG2 VAL 59 3HG2 VAL 59 10.391 7.507 -5.745 621 QG1 VAL 59 QG1 VAL 59 10.494 6.931 -2.821 622 QG2 VAL 59 QG2 VAL 59 10.882 6.628 -5.889 623 QQG VAL 59 QQG VAL 59 10.688 6.780 -4.355 624 HA PRO 60 HA PRO 60 8.184 4.348 -3.376 625 1HB PRO 60 2HB PRO 60 5.705 3.146 -3.877 626 2HB PRO 60 3HB PRO 60 6.197 4.737 -4.455 627 1HG PRO 60 2HG PRO 60 5.739 2.345 -6.031 628 2HG PRO 60 3HG PRO 60 6.197 3.948 -6.614 629 1HD PRO 60 2HD PRO 60 7.914 1.561 -6.174 630 2HD PRO 60 3HD PRO 60 8.245 3.008 -7.153 631 QB PRO 60 QB PRO 60 5.951 3.942 -4.166 632 QG PRO 60 QG PRO 60 5.968 3.146 -6.323 633 QD PRO 60 QD PRO 60 8.079 2.284 -6.663 634 H GLN 61 HN GLN 61 7.651 3.410 -1.365 635 HA GLN 61 HA GLN 61 7.989 0.419 -1.274 636 1HB GLN 61 2HB GLN 61 8.643 2.476 0.867 637 2HB GLN 61 3HB GLN 61 8.738 0.729 1.086 638 1HG GLN 61 2HG GLN 61 10.363 0.670 -0.881 639 2HG GLN 61 3HG GLN 61 10.380 2.432 -0.828 640 1HE2 GLN 61 1HE2 GLN 61 11.936 0.469 2.420 641 2HE2 GLN 61 2HE2 GLN 61 10.614 -0.229 1.627 642 QB GLN 61 QB GLN 61 8.690 1.602 0.976 643 QG GLN 61 QG GLN 61 10.371 1.551 -0.854 644 QE2 GLN 61 QE2 GLN 61 11.275 0.120 2.024 645 H ILE 62 HN ILE 62 6.472 -0.748 -0.159 646 HA ILE 62 HA ILE 62 4.109 0.804 0.799 647 HB ILE 62 HB ILE 62 4.267 -2.011 -0.336 648 1HG1 ILE 62 2HG1 ILE 62 2.580 -0.844 -1.976 649 2HG1 ILE 62 3HG1 ILE 62 3.284 0.647 -1.372 650 1HG2 ILE 62 3HG2 ILE 62 1.859 -0.474 0.716 651 2HG2 ILE 62 1HG2 ILE 62 1.781 -2.016 -0.132 652 3HG2 ILE 62 2HG2 ILE 62 2.558 -1.917 1.444 653 1HD1 ILE 62 3HD1 ILE 62 4.860 -1.643 -2.583 654 2HD1 ILE 62 1HD1 ILE 62 4.434 -0.157 -3.423 655 3HD1 ILE 62 2HD1 ILE 62 5.528 -0.109 -2.051 656 QG1 ILE 62 QG1 ILE 62 2.932 -0.098 -1.674 657 QG2 ILE 62 QG2 ILE 62 2.066 -1.469 0.676 658 QD1 ILE 62 QD1 ILE 62 4.941 -0.636 -2.686 659 H PHE 63 HN PHE 63 3.225 0.371 2.606 660 HA PHE 63 HA PHE 63 4.531 -1.576 4.481 661 1HB PHE 63 2HB PHE 63 3.416 1.202 5.056 662 2HB PHE 63 3HB PHE 63 3.815 0.041 6.313 663 HD1 PHE 63 2HD PHE 63 5.412 1.612 3.286 664 HD2 PHE 63 1HD PHE 63 5.957 0.143 7.246 665 HE1 PHE 63 2HE PHE 63 7.735 2.363 3.239 666 HE2 PHE 63 1HE PHE 63 8.301 0.873 7.185 667 HZ PHE 63 HZ PHE 63 9.199 1.981 5.195 668 QB PHE 63 QB PHE 63 3.616 0.621 5.684 669 QR PHE 63 QR PHE 63 6.851 1.248 5.239 670 H VAL 64 HN VAL 64 3.070 -2.887 5.478 671 HA VAL 64 HA VAL 64 0.186 -2.398 4.834 672 HB VAL 64 HB VAL 64 1.838 -4.915 4.904 673 1HG1 VAL 64 3HG1 VAL 64 -1.198 -4.825 5.148 674 2HG1 VAL 64 1HG1 VAL 64 -0.230 -6.261 4.871 675 3HG1 VAL 64 2HG1 VAL 64 -0.089 -5.411 6.389 676 1HG2 VAL 64 1HG2 VAL 64 -0.276 -3.797 3.023 677 2HG2 VAL 64 2HG2 VAL 64 1.465 -3.743 2.763 678 3HG2 VAL 64 3HG2 VAL 64 0.617 -5.289 2.764 679 QG1 VAL 64 QG1 VAL 64 -0.506 -5.499 5.470 680 QG2 VAL 64 QG2 VAL 64 0.602 -4.276 2.850 681 QQG VAL 64 QQG VAL 64 0.048 -4.888 4.160 682 H ASP 65 HN ASP 65 -0.607 -1.512 6.608 683 HA ASP 65 HA ASP 65 -1.428 -1.385 8.760 684 1HB ASP 65 2HB ASP 65 -1.695 -3.944 8.209 685 2HB ASP 65 3HB ASP 65 -0.390 -4.137 9.364 686 QB ASP 65 QB ASP 65 -1.043 -4.040 8.787 687 H GLN 66 HN GLN 66 1.312 -3.441 9.301 688 HA GLN 66 HA GLN 66 2.625 -1.237 10.777 689 1HB GLN 66 2HB GLN 66 1.690 -3.850 11.842 690 2HB GLN 66 3HB GLN 66 3.277 -3.326 12.395 691 1HG GLN 66 2HG GLN 66 0.860 -1.491 12.454 692 2HG GLN 66 3HG GLN 66 1.262 -2.548 13.799 693 1HE2 GLN 66 2HE2 GLN 66 4.541 -0.308 13.398 694 2HE2 GLN 66 1HE2 GLN 66 4.212 -1.623 12.374 695 QB GLN 66 QB GLN 66 2.484 -3.588 12.119 696 QG GLN 66 QG GLN 66 1.061 -2.020 13.127 697 QE2 GLN 66 QE2 GLN 66 4.376 -0.965 12.886 698 H GLN 67 HN GLN 67 3.078 -3.804 8.548 699 HA GLN 67 HA GLN 67 6.011 -3.674 9.111 700 1HB GLN 67 2HB GLN 67 4.173 -5.893 8.399 701 2HB GLN 67 3HB GLN 67 5.737 -5.926 7.615 702 1HG GLN 67 2HG GLN 67 5.248 -5.743 10.609 703 2HG GLN 67 3HG GLN 67 5.820 -7.169 9.748 704 1HE2 GLN 67 2HE2 GLN 67 8.658 -5.024 11.166 705 2HE2 GLN 67 1HE2 GLN 67 7.159 -5.421 11.849 706 QB GLN 67 QB GLN 67 4.955 -5.909 8.007 707 QG GLN 67 QG GLN 67 5.534 -6.456 10.178 708 QE2 GLN 67 QE2 GLN 67 7.908 -5.223 11.508 709 H HIS 68 HN HIS 68 7.456 -3.992 7.328 710 HA HIS 68 HA HIS 68 6.549 -2.394 4.995 711 1HB HIS 68 2HB HIS 68 8.679 -1.753 5.993 712 2HB HIS 68 3HB HIS 68 9.280 -3.383 5.874 713 HD1 HIS 68 HD1 HIS 68 11.108 -3.085 4.253 714 HD2 HIS 68 HD2 HIS 68 7.679 -1.293 2.850 715 HE1 HIS 68 HE1 HIS 68 11.531 -2.477 1.833 716 QB HIS 68 QB HIS 68 8.979 -2.568 5.933 717 H ILE 69 HN ILE 69 6.210 -3.293 3.030 718 HA ILE 69 HA ILE 69 6.548 -6.255 2.840 719 HB ILE 69 HB ILE 69 4.923 -4.406 1.058 720 1HG1 ILE 69 2HG1 ILE 69 3.992 -4.228 3.297 721 2HG1 ILE 69 3HG1 ILE 69 2.946 -5.271 2.349 722 1HG2 ILE 69 1HG2 ILE 69 4.881 -7.424 1.456 723 2HG2 ILE 69 2HG2 ILE 69 3.763 -6.522 0.438 724 3HG2 ILE 69 3HG2 ILE 69 5.475 -6.570 0.037 725 1HD1 ILE 69 3HD1 ILE 69 4.009 -7.272 3.363 726 2HD1 ILE 69 1HD1 ILE 69 5.051 -6.232 4.323 727 3HD1 ILE 69 2HD1 ILE 69 3.318 -6.231 4.593 728 QG1 ILE 69 QG1 ILE 69 3.469 -4.750 2.823 729 QG2 ILE 69 QG2 ILE 69 4.706 -6.839 0.644 730 QD1 ILE 69 QD1 ILE 69 4.126 -6.578 4.093 731 H GLY 70 HN GLY 70 7.248 -3.263 1.124 732 1HA GLY 70 1HA GLY 70 9.644 -3.445 0.092 733 2HA GLY 70 2HA GLY 70 8.959 -4.820 -0.777 734 QA GLY 70 QA GLY 70 9.302 -4.132 -0.342 735 H GLY 71 HN GLY 71 8.984 -4.025 -2.827 736 1HA GLY 71 1HA GLY 71 7.906 -1.305 -3.355 737 2HA GLY 71 2HA GLY 71 8.664 -2.372 -4.541 738 QA GLY 71 QA GLY 71 8.285 -1.839 -3.948 739 OH TYR 72 OH TYR 72 -0.903 -3.345 -8.388 740 H TYR 72 HN TYR 72 6.392 -1.221 -5.330 741 HA TYR 72 HA TYR 72 3.917 -2.254 -4.739 742 1HB TYR 72 2HB TYR 72 4.255 -0.622 -6.561 743 2HB TYR 72 3HB TYR 72 4.979 -1.880 -7.567 744 HD1 TYR 72 HD2 TYR 72 2.008 -1.886 -5.287 745 HD2 TYR 72 HD1 TYR 72 3.439 -2.469 -9.254 746 HE1 TYR 72 HE2 TYR 72 -0.214 -2.658 -5.971 747 HE2 TYR 72 HE1 TYR 72 1.208 -3.198 -9.942 748 HH TYR 72 HH TYR 72 -1.181 -4.045 -7.779 749 QB TYR 72 QB TYR 72 4.617 -1.251 -7.064 750 QR TYR 72 QR TYR 72 1.610 -2.553 -7.614 751 H THR 73 HN THR 73 6.327 -3.856 -6.769 752 HA THR 73 HA THR 73 4.962 -6.128 -7.621 753 HB THR 73 HB THR 73 7.403 -7.202 -7.196 754 HG1 THR 73 1HG THR 73 8.336 -5.760 -5.835 755 1HG2 THR 73 1HG2 THR 73 6.571 -6.265 -9.417 756 2HG2 THR 73 2HG2 THR 73 7.068 -4.666 -8.875 757 3HG2 THR 73 3HG2 THR 73 8.273 -5.922 -9.132 758 QG2 THR 73 QG2 THR 73 7.304 -5.617 -9.141 759 H ASP 74 HN ASP 74 6.846 -5.833 -4.671 760 HA ASP 74 HA ASP 74 6.127 -8.320 -3.509 761 1HB ASP 74 2HB ASP 74 6.795 -5.735 -2.059 762 2HB ASP 74 3HB ASP 74 7.060 -7.380 -1.477 763 QB ASP 74 QB ASP 74 6.928 -6.557 -1.768 764 H PHE 75 HN PHE 75 4.654 -5.120 -3.301 765 HA PHE 75 HA PHE 75 2.672 -5.748 -1.357 766 1HB PHE 75 2HB PHE 75 3.115 -3.436 -2.204 767 2HB PHE 75 3HB PHE 75 2.358 -3.868 -3.730 768 HD1 PHE 75 2HD PHE 75 0.710 -5.433 -0.885 769 HD2 PHE 75 1HD PHE 75 0.935 -1.819 -3.132 770 HE1 PHE 75 2HE PHE 75 -1.461 -4.739 -0.002 771 HE2 PHE 75 1HE PHE 75 -1.237 -1.137 -2.247 772 HZ PHE 75 HZ PHE 75 -2.448 -2.594 -0.681 773 QB PHE 75 QB PHE 75 2.737 -3.652 -2.967 774 QR PHE 75 QR PHE 75 -0.263 -3.282 -1.566 775 H ALA 76 HN ALA 76 2.332 -5.810 -4.909 776 HA ALA 76 HA ALA 76 -0.279 -6.924 -5.022 777 1HB ALA 76 1HB ALA 76 0.939 -6.079 -7.020 778 2HB ALA 76 2HB ALA 76 2.024 -7.462 -6.932 779 3HB ALA 76 3HB ALA 76 0.317 -7.706 -7.293 780 QB ALA 76 QB ALA 76 1.093 -7.082 -7.082 781 H ALA 77 HN ALA 77 2.831 -8.637 -5.225 782 HA ALA 77 HA ALA 77 1.757 -11.280 -5.212 783 1HB ALA 77 3HB ALA 77 4.146 -10.766 -5.709 784 2HB ALA 77 1HB ALA 77 4.395 -10.296 -4.030 785 3HB ALA 77 2HB ALA 77 4.010 -11.971 -4.430 786 QB ALA 77 QB ALA 77 4.184 -11.011 -4.723 787 CH2 TRP 78 CH2 TRP 78 -1.280 -7.968 3.726 788 H TRP 78 HN TRP 78 2.986 -9.345 -2.488 789 HA TRP 78 HA TRP 78 2.468 -11.107 -0.388 790 1HB TRP 78 2HB TRP 78 3.500 -8.906 -0.055 791 2HB TRP 78 3HB TRP 78 2.000 -8.118 -0.450 792 HD1 TRP 78 HD1 TRP 78 3.676 -10.075 2.407 793 HE1 TRP 78 HE1 TRP 78 2.360 -9.813 4.511 794 HE3 TRP 78 HE3 TRP 78 -0.264 -7.649 0.508 795 HZ2 TRP 78 HZ2 TRP 78 -0.107 -8.739 5.331 796 HZ3 TRP 78 HZ3 TRP 78 -2.195 -7.136 1.982 797 HH2 TRP 78 HH2 TRP 78 -2.122 -7.732 4.360 798 QB TRP 78 QB TRP 78 2.750 -8.512 -0.253 799 H VAL 79 HN VAL 79 0.264 -8.665 -1.657 800 HA VAL 79 HA VAL 79 -1.987 -9.192 -0.106 801 HB VAL 79 HB VAL 79 -1.777 -8.372 -3.032 802 1HG1 VAL 79 1HG1 VAL 79 -4.233 -8.358 -1.227 803 2HG1 VAL 79 2HG1 VAL 79 -4.139 -7.639 -2.828 804 3HG1 VAL 79 3HG1 VAL 79 -4.014 -9.379 -2.643 805 1HG2 VAL 79 3HG2 VAL 79 -2.368 -6.854 -0.466 806 2HG2 VAL 79 1HG2 VAL 79 -0.878 -6.777 -1.391 807 3HG2 VAL 79 2HG2 VAL 79 -2.368 -6.144 -2.073 808 QG1 VAL 79 QG1 VAL 79 -4.129 -8.459 -2.233 809 QG2 VAL 79 QG2 VAL 79 -1.871 -6.592 -1.310 810 QQG VAL 79 QQG VAL 79 -3.000 -7.525 -1.771 811 H LYS 80 HN LYS 80 -1.260 -10.669 -3.251 812 HA LYS 80 HA LYS 80 -3.457 -12.317 -3.511 813 1HB LYS 80 2HB LYS 80 -1.131 -12.052 -4.873 814 2HB LYS 80 3HB LYS 80 -0.857 -13.625 -4.160 815 1HG LYS 80 2HG LYS 80 -3.583 -13.368 -5.253 816 2HG LYS 80 3HG LYS 80 -2.360 -13.063 -6.467 817 1HD LYS 80 2HD LYS 80 -2.802 -15.407 -6.571 818 2HD LYS 80 3HD LYS 80 -1.250 -15.248 -5.770 819 1HE LYS 80 2HE LYS 80 -2.702 -16.895 -4.627 820 2HE LYS 80 3HE LYS 80 -2.305 -15.551 -3.581 821 1HZ LYS 80 3HZ LYS 80 -4.686 -14.968 -5.015 822 2HZ LYS 80 1HZ LYS 80 -4.862 -16.465 -4.227 823 3HZ LYS 80 2HZ LYS 80 -4.446 -15.083 -3.345 824 QB LYS 80 QB LYS 80 -0.994 -12.839 -4.516 825 QG LYS 80 QG LYS 80 -2.972 -13.215 -5.860 826 QD LYS 80 QD LYS 80 -2.026 -15.327 -6.171 827 QE LYS 80 QE LYS 80 -2.504 -16.223 -4.104 828 QZ LYS 80 QZ LYS 80 -4.664 -15.505 -4.195 829 H GLU 81 HN GLU 81 -0.571 -13.249 -1.586 830 HA GLU 81 HA GLU 81 -2.208 -15.563 -0.598 831 1HB GLU 81 2HB GLU 81 0.779 -15.020 -0.562 832 2HB GLU 81 3HB GLU 81 0.062 -16.294 0.412 833 1HG GLU 81 2HG GLU 81 0.678 -17.414 -1.570 834 2HG GLU 81 3HG GLU 81 -1.038 -17.121 -1.790 835 QB GLU 81 QB GLU 81 0.421 -15.657 -0.075 836 QG GLU 81 QG GLU 81 -0.180 -17.267 -1.680 837 H ASN 82 HN ASN 82 -2.682 -12.906 0.377 838 HA ASN 82 HA ASN 82 -2.340 -13.530 3.273 839 1HB ASN 82 2HB ASN 82 -1.440 -11.008 1.878 840 2HB ASN 82 3HB ASN 82 -1.977 -10.943 3.556 841 1HD2 ASN 82 2HD2 ASN 82 1.522 -12.821 2.633 842 2HD2 ASN 82 1HD2 ASN 82 0.478 -12.288 1.400 843 QB ASN 82 QB ASN 82 -1.708 -10.976 2.717 844 QD2 ASN 82 QD2 ASN 82 1.000 -12.555 2.016 845 H LEU 83 HN LEU 83 -3.791 -11.403 0.877 846 HA LEU 83 HA LEU 83 -6.266 -11.276 2.561 847 1HB LEU 83 2HB LEU 83 -5.390 -9.412 0.375 848 2HB LEU 83 3HB LEU 83 -6.752 -9.168 1.455 849 HG LEU 83 HG LEU 83 -3.799 -9.138 2.174 850 1HD1 LEU 83 2HD1 LEU 83 -6.016 -7.078 2.375 851 2HD1 LEU 83 3HD1 LEU 83 -4.372 -6.851 2.960 852 3HD1 LEU 83 1HD1 LEU 83 -4.677 -7.050 1.233 853 1HD2 LEU 83 3HD2 LEU 83 -6.200 -8.991 4.044 854 2HD2 LEU 83 1HD2 LEU 83 -5.034 -10.308 3.972 855 3HD2 LEU 83 2HD2 LEU 83 -4.526 -8.714 4.508 856 QB LEU 83 QB LEU 83 -6.071 -9.290 0.915 857 QD1 LEU 83 QD1 LEU 83 -5.022 -6.993 2.190 858 QD2 LEU 83 QD2 LEU 83 -5.253 -9.338 4.174 859 QQD LEU 83 QQD LEU 83 -5.138 -8.165 3.182 860 H ASP 84 HN ASP 84 -5.776 -13.448 1.000 861 HA ASP 84 HA ASP 84 -7.182 -13.137 -1.548 862 1HB ASP 84 2HB ASP 84 -5.304 -14.917 -0.658 863 2HB ASP 84 3HB ASP 84 -6.748 -15.863 -0.376 864 QB ASP 84 QB ASP 84 -6.026 -15.390 -0.517 865 H ALA 85 HN ALA 85 -8.672 -12.092 0.283 866 HA ALA 85 HA ALA 85 -11.227 -13.275 0.202 867 1HB ALA 85 2HB ALA 85 -9.841 -13.467 2.911 868 2HB ALA 85 3HB ALA 85 -11.546 -13.791 2.614 869 3HB ALA 85 1HB ALA 85 -10.317 -14.845 1.923 870 QB ALA 85 QB ALA 85 -10.568 -14.034 2.483 No H/Q in entry = 870
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