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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 | cing | stage | position | program | type |
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12281 |
1sqr ![]() ![]() |
cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 12.310 -6.934 -10.733 2 2H MET 1 2HT MET 1 10.862 -6.219 -10.202 3 3H MET 1 3HT MET 1 10.947 -7.900 -10.434 4 HA MET 1 HA MET 1 11.658 -8.227 -8.381 5 1HB MET 1 2HB MET 1 13.900 -7.413 -9.494 6 2HB MET 1 3HB MET 1 13.636 -5.964 -8.523 7 1HG MET 1 2HG MET 1 14.996 -7.489 -7.221 8 2HG MET 1 3HG MET 1 13.387 -7.454 -6.502 9 1HE MET 1 1HE MET 1 15.789 -9.443 -6.245 10 2HE MET 1 2HE MET 1 15.181 -11.089 -6.388 11 3HE MET 1 3HE MET 1 14.375 -9.953 -5.311 12 H ARG 2 H ARG 2 11.685 -4.733 -9.089 13 HA ARG 2 HA ARG 2 10.597 -4.101 -6.462 14 1HB ARG 2 2HB ARG 2 11.807 -2.607 -8.702 15 2HB ARG 2 3HB ARG 2 10.491 -1.765 -7.886 16 1HG ARG 2 2HG ARG 2 12.616 -1.228 -6.796 17 2HG ARG 2 3HG ARG 2 11.610 -2.179 -5.703 18 1HD ARG 2 2HD ARG 2 13.898 -3.041 -5.674 19 2HD ARG 2 3HD ARG 2 12.824 -4.230 -6.403 20 HE ARG 2 HE ARG 2 13.829 -3.806 -8.498 21 1HH1 ARG 2 1HH2 ARG 2 15.896 -3.055 -6.055 22 2HH1 ARG 2 2HH2 ARG 2 16.864 -1.915 -6.931 23 1HH2 ARG 2 1HH1 ARG 2 14.680 -1.743 -9.621 24 2HH2 ARG 2 2HH1 ARG 2 16.171 -1.166 -8.954 25 H ILE 3 H ILE 3 8.743 -2.403 -6.530 26 HA ILE 3 HA ILE 3 6.748 -3.005 -8.594 27 HB ILE 3 HB ILE 3 6.024 -3.280 -5.670 28 1HG1 ILE 3 2HG1 ILE 3 6.776 -5.441 -7.671 29 2HG1 ILE 3 3HG1 ILE 3 7.656 -5.038 -6.197 30 1HG2 ILE 3 1HG2 ILE 3 4.673 -4.122 -8.258 31 2HG2 ILE 3 2HG2 ILE 3 4.040 -4.423 -6.640 32 3HG2 ILE 3 3HG2 ILE 3 4.187 -2.772 -7.235 33 1HD1 ILE 3 1HD1 ILE 3 4.921 -6.295 -6.456 34 2HD1 ILE 3 2HD1 ILE 3 6.343 -6.936 -5.631 35 3HD1 ILE 3 3HD1 ILE 3 5.473 -5.562 -4.950 36 H LYS 4 H LYS 4 4.841 -1.555 -8.405 37 HA LYS 4 HA LYS 4 5.403 0.936 -6.944 38 1HB LYS 4 2HB LYS 4 4.457 1.984 -9.238 39 2HB LYS 4 3HB LYS 4 6.178 1.752 -8.933 40 1HG LYS 4 2HG LYS 4 6.221 -0.292 -10.177 41 2HG LYS 4 3HG LYS 4 4.460 -0.369 -10.239 42 1HD LYS 4 2HD LYS 4 5.527 0.415 -12.385 43 2HD LYS 4 3HD LYS 4 4.359 1.548 -11.710 44 1HE LYS 4 2HE LYS 4 6.075 2.981 -10.881 45 2HE LYS 4 3HE LYS 4 7.319 1.754 -11.119 46 1HZ LYS 4 1HZ LYS 4 7.561 3.190 -12.916 47 2HZ LYS 4 2HZ LYS 4 5.887 3.342 -13.159 48 3HZ LYS 4 3HZ LYS 4 6.678 1.892 -13.561 49 H GLY 5 H GLY 5 3.464 2.494 -7.371 50 1HA GLY 5 1HA GLY 5 0.874 1.361 -7.787 51 2HA GLY 5 2HA GLY 5 1.235 1.529 -6.070 52 H VAL 6 H VAL 6 -0.784 3.000 -6.547 53 HA VAL 6 HA VAL 6 0.262 5.742 -6.777 54 HB VAL 6 HB VAL 6 -2.205 4.740 -8.231 55 1HG1 VAL 6 1HG1 VAL 6 -1.932 7.155 -9.212 56 2HG1 VAL 6 2HG1 VAL 6 -2.694 6.957 -7.635 57 3HG1 VAL 6 3HG1 VAL 6 -1.008 7.461 -7.741 58 1HG2 VAL 6 1HG2 VAL 6 -0.075 4.077 -9.319 59 2HG2 VAL 6 2HG2 VAL 6 -0.920 5.299 -10.268 60 3HG2 VAL 6 3HG2 VAL 6 0.462 5.755 -9.272 61 H VAL 7 H VAL 7 -0.397 6.959 -5.160 62 HA VAL 7 HA VAL 7 -2.026 5.994 -3.067 63 HB VAL 7 HB VAL 7 -1.203 8.833 -3.736 64 1HG1 VAL 7 1HG1 VAL 7 -3.059 8.803 -2.146 65 2HG1 VAL 7 2HG1 VAL 7 -2.236 7.586 -1.172 66 3HG1 VAL 7 3HG1 VAL 7 -1.569 9.212 -1.299 67 1HG2 VAL 7 1HG2 VAL 7 0.089 6.560 -2.238 68 2HG2 VAL 7 2HG2 VAL 7 0.799 7.647 -3.431 69 3HG2 VAL 7 3HG2 VAL 7 0.454 8.231 -1.803 70 H LEU 8 H LEU 8 -4.095 6.668 -2.378 71 HA LEU 8 HA LEU 8 -5.840 7.619 -4.569 72 1HB LEU 8 2HB LEU 8 -6.313 5.766 -2.240 73 2HB LEU 8 3HB LEU 8 -7.656 6.553 -3.068 74 HG LEU 8 HG LEU 8 -5.547 4.869 -4.453 75 1HD1 LEU 8 1HD1 LEU 8 -6.759 3.272 -3.259 76 2HD1 LEU 8 2HD1 LEU 8 -8.243 4.224 -3.295 77 3HD1 LEU 8 3HD1 LEU 8 -7.702 3.380 -4.745 78 1HD2 LEU 8 1HD2 LEU 8 -7.681 4.954 -6.119 79 2HD2 LEU 8 2HD2 LEU 8 -7.864 6.521 -5.330 80 3HD2 LEU 8 3HD2 LEU 8 -6.371 6.134 -6.186 81 H SER 9 H SER 9 -5.780 7.603 -1.005 82 HA SER 9 HA SER 9 -5.980 10.456 -0.816 83 1HB SER 9 2HB SER 9 -8.344 9.621 -1.479 84 2HB SER 9 3HB SER 9 -8.421 8.995 0.165 85 HG SER 9 HG SER 9 -7.460 11.549 0.031 86 H TYR 10 H TYR 10 -5.234 11.100 1.128 87 HA TYR 10 HA TYR 10 -4.881 9.030 3.207 88 1HB TYR 10 2HB TYR 10 -2.746 9.847 2.656 89 2HB TYR 10 3HB TYR 10 -3.323 11.504 2.484 90 HD1 TYR 10 HD1 TYR 10 -2.664 12.954 4.186 91 HD2 TYR 10 HD2 TYR 10 -3.412 8.830 5.126 92 HE1 TYR 10 HE1 TYR 10 -2.112 13.395 6.562 93 HE2 TYR 10 HE2 TYR 10 -2.862 9.272 7.503 94 HH TYR 10 HH TYR 10 -1.298 12.058 8.540 95 H ARG 11 H ARG 11 -6.321 9.134 4.805 96 HA ARG 11 HA ARG 11 -7.699 11.641 5.392 97 1HB ARG 11 2HB ARG 11 -8.578 9.066 5.357 98 2HB ARG 11 3HB ARG 11 -8.235 9.269 7.074 99 1HG ARG 11 2HG ARG 11 -9.932 11.164 5.416 100 2HG ARG 11 3HG ARG 11 -10.570 9.920 6.490 101 1HD ARG 11 2HD ARG 11 -9.268 11.006 8.370 102 2HD ARG 11 3HD ARG 11 -8.902 12.326 7.263 103 HE ARG 11 HE ARG 11 -11.142 13.017 7.384 104 1HH1 ARG 11 1HH1 ARG 11 -10.805 9.836 8.693 105 2HH1 ARG 11 2HH1 ARG 11 -12.252 9.924 9.641 106 1HH2 ARG 11 1HH2 ARG 11 -12.950 13.205 8.747 107 2HH2 ARG 11 2HH2 ARG 11 -13.469 11.834 9.670 108 H ARG 12 H ARG 12 -6.868 13.013 6.786 109 HA ARG 12 HA ARG 12 -5.017 12.069 8.871 110 1HB ARG 12 2HB ARG 12 -4.597 14.593 9.101 111 2HB ARG 12 3HB ARG 12 -4.053 13.833 7.607 112 1HG ARG 12 2HG ARG 12 -6.847 14.844 7.605 113 2HG ARG 12 3HG ARG 12 -5.583 16.071 7.652 114 1HD ARG 12 2HD ARG 12 -5.701 13.810 5.634 115 2HD ARG 12 3HD ARG 12 -6.264 15.448 5.323 116 HE ARG 12 HE ARG 12 -3.600 14.588 5.119 117 1HH1 ARG 12 1HH1 ARG 12 -3.163 16.076 7.633 118 2HH1 ARG 12 2HH1 ARG 12 -2.907 17.702 7.096 119 1HH2 ARG 12 1HH2 ARG 12 -4.255 17.163 3.952 120 2HH2 ARG 12 2HH2 ARG 12 -3.517 18.314 5.015 121 H SER 13 H SER 13 -7.251 11.217 9.739 122 HA SER 13 HA SER 13 -9.283 12.637 10.809 123 1HB SER 13 2HB SER 13 -8.605 10.119 11.103 124 2HB SER 13 3HB SER 13 -7.897 10.681 12.614 125 HG SER 13 HG SER 13 -10.350 11.740 12.247 126 H LYS 14 H LYS 14 -9.382 14.466 11.921 127 HA LYS 14 HA LYS 14 -7.200 15.701 13.215 128 1HB LYS 14 2HB LYS 14 -9.334 16.797 12.337 129 2HB LYS 14 3HB LYS 14 -10.104 16.257 13.829 130 1HG LYS 14 2HG LYS 14 -7.982 17.381 14.952 131 2HG LYS 14 3HG LYS 14 -7.936 18.293 13.443 132 1HD LYS 14 2HD LYS 14 -10.413 18.793 13.834 133 2HD LYS 14 3HD LYS 14 -10.181 18.161 15.464 134 1HE LYS 14 2HE LYS 14 -9.696 20.368 15.891 135 2HE LYS 14 3HE LYS 14 -8.090 19.850 15.380 136 1HZ LYS 14 1HZ LYS 14 -8.216 21.062 13.534 137 2HZ LYS 14 2HZ LYS 14 -9.524 21.858 14.271 138 3HZ LYS 14 3HZ LYS 14 -9.807 20.575 13.196 139 H GLU 15 H GLU 15 -10.157 14.378 14.673 140 HA GLU 15 HA GLU 15 -9.311 14.478 17.338 141 1HB GLU 15 2HB GLU 15 -11.072 12.526 17.539 142 2HB GLU 15 3HB GLU 15 -11.601 14.153 17.126 143 1HG GLU 15 2HG GLU 15 -10.837 12.254 14.922 144 2HG GLU 15 3HG GLU 15 -12.411 12.086 15.691 145 H ASN 16 H ASN 16 -9.689 11.860 18.334 146 HA ASN 16 HA ASN 16 -7.673 10.177 17.072 147 1HB ASN 16 2HB ASN 16 -6.481 11.838 18.604 148 2HB ASN 16 3HB ASN 16 -7.272 11.011 19.945 149 1HD2 ASN 16 2HD2 ASN 16 -5.914 9.464 20.847 150 2HD2 ASN 16 1HD2 ASN 16 -4.804 8.515 19.981 151 H GLN 17 H GLN 17 -9.172 8.594 16.834 152 HA GLN 17 HA GLN 17 -9.742 6.996 19.166 153 1HB GLN 17 2HB GLN 17 -12.267 6.950 18.399 154 2HB GLN 17 3HB GLN 17 -11.692 8.194 19.504 155 1HG GLN 17 2HG GLN 17 -13.057 9.171 17.688 156 2HG GLN 17 3HG GLN 17 -11.396 9.758 17.627 157 1HE2 GLN 17 2HE2 GLN 17 -12.945 6.726 16.422 158 2HE2 GLN 17 1HE2 GLN 17 -12.363 6.895 14.838 159 H HIS 18 H HIS 18 -8.511 7.068 16.330 160 HA HIS 18 HA HIS 18 -8.905 4.331 15.714 161 1HB HIS 18 2HB HIS 18 -10.617 6.304 14.281 162 2HB HIS 18 3HB HIS 18 -9.868 5.041 13.307 163 HD1 HIS 18 HD1 HIS 18 -12.970 5.508 14.641 164 HD2 HIS 18 HD2 HIS 18 -10.190 2.467 15.287 165 HE1 HIS 18 HE1 HIS 18 -14.259 3.544 15.586 166 H ASN 19 H ASN 19 -7.424 7.271 15.481 167 HA ASN 19 HA ASN 19 -5.424 7.951 14.640 168 1HB ASN 19 2HB ASN 19 -5.019 5.318 15.039 169 2HB ASN 19 3HB ASN 19 -4.808 5.382 13.290 170 1HD2 ASN 19 2HD2 ASN 19 -2.989 6.619 12.446 171 2HD2 ASN 19 1HD2 ASN 19 -1.748 7.177 13.461 172 H ASN 20 H ASN 20 -4.153 8.069 12.482 173 HA ASN 20 HA ASN 20 -6.024 8.892 10.444 174 1HB ASN 20 2HB ASN 20 -3.041 8.757 10.074 175 2HB ASN 20 3HB ASN 20 -4.190 9.905 9.390 176 1HD2 ASN 20 2HD2 ASN 20 -5.614 10.686 11.704 177 2HD2 ASN 20 1HD2 ASN 20 -4.551 11.469 12.772 178 H VAL 21 H VAL 21 -6.359 7.999 8.440 179 HA VAL 21 HA VAL 21 -5.270 5.276 8.011 180 HB VAL 21 HB VAL 21 -7.900 6.479 7.101 181 1HG1 VAL 21 1HG1 VAL 21 -6.649 3.751 6.660 182 2HG1 VAL 21 2HG1 VAL 21 -8.358 4.096 6.393 183 3HG1 VAL 21 3HG1 VAL 21 -7.133 4.914 5.426 184 1HG2 VAL 21 1HG2 VAL 21 -8.656 4.439 8.591 185 2HG2 VAL 21 2HG2 VAL 21 -7.062 4.634 9.321 186 3HG2 VAL 21 3HG2 VAL 21 -8.217 5.966 9.356 187 H MET 22 H MET 22 -4.797 4.644 5.836 188 HA MET 22 HA MET 22 -4.596 6.785 3.832 189 1HB MET 22 2HB MET 22 -2.429 6.817 4.990 190 2HB MET 22 3HB MET 22 -2.251 5.084 4.720 191 1HG MET 22 2HG MET 22 -2.004 5.344 2.389 192 2HG MET 22 3HG MET 22 -2.696 6.965 2.407 193 1HE MET 22 1HE MET 22 1.007 6.654 1.217 194 2HE MET 22 2HE MET 22 -0.033 8.060 1.018 195 3HE MET 22 3HE MET 22 -0.700 6.444 0.801 196 H ILE 23 H ILE 23 -5.356 6.053 1.968 197 HA ILE 23 HA ILE 23 -5.523 3.150 1.522 198 HB ILE 23 HB ILE 23 -6.833 5.328 -0.113 199 1HG1 ILE 23 2HG1 ILE 23 -7.614 5.677 2.146 200 2HG1 ILE 23 3HG1 ILE 23 -8.878 4.797 1.289 201 1HG2 ILE 23 1HG2 ILE 23 -6.618 2.890 -0.924 202 2HG2 ILE 23 2HG2 ILE 23 -7.747 2.488 0.369 203 3HG2 ILE 23 3HG2 ILE 23 -8.236 3.591 -0.918 204 1HD1 ILE 23 1HD1 ILE 23 -7.815 2.657 2.221 205 2HD1 ILE 23 2HD1 ILE 23 -6.893 3.710 3.293 206 3HD1 ILE 23 3HD1 ILE 23 -8.652 3.685 3.382 207 H ILE 24 H ILE 24 -4.440 2.136 -0.065 208 HA ILE 24 HA ILE 24 -2.905 3.771 -2.009 209 HB ILE 24 HB ILE 24 -2.019 1.397 -0.366 210 1HG1 ILE 24 2HG1 ILE 24 -0.561 3.964 -1.031 211 2HG1 ILE 24 3HG1 ILE 24 -1.684 3.853 0.323 212 1HG2 ILE 24 1HG2 ILE 24 -1.364 0.734 -2.554 213 2HG2 ILE 24 2HG2 ILE 24 -0.955 2.386 -3.018 214 3HG2 ILE 24 3HG2 ILE 24 0.064 1.513 -1.875 215 1HD1 ILE 24 1HD1 ILE 24 0.503 3.409 1.208 216 2HD1 ILE 24 2HD1 ILE 24 -0.336 1.860 1.140 217 3HD1 ILE 24 3HD1 ILE 24 0.863 2.268 -0.086 218 H LYS 25 H LYS 25 -2.543 2.779 -4.052 219 HA LYS 25 HA LYS 25 -4.213 0.420 -4.628 220 1HB LYS 25 2HB LYS 25 -5.613 2.281 -5.216 221 2HB LYS 25 3HB LYS 25 -4.288 3.086 -6.054 222 1HG LYS 25 2HG LYS 25 -4.330 1.578 -7.849 223 2HG LYS 25 3HG LYS 25 -5.160 0.336 -6.913 224 1HD LYS 25 2HD LYS 25 -6.550 2.953 -7.376 225 2HD LYS 25 3HD LYS 25 -6.479 1.786 -8.696 226 1HE LYS 25 2HE LYS 25 -7.473 1.130 -5.909 227 2HE LYS 25 3HE LYS 25 -8.524 1.538 -7.264 228 1HZ LYS 25 1HZ LYS 25 -6.726 -0.412 -8.128 229 2HZ LYS 25 2HZ LYS 25 -8.409 -0.551 -7.929 230 3HZ LYS 25 3HZ LYS 25 -7.364 -0.938 -6.647 231 HA PRO 26 HA PRO 26 -0.162 -0.199 -6.615 232 1HB PRO 26 2HB PRO 26 -0.709 -3.029 -6.584 233 2HB PRO 26 3HB PRO 26 0.481 -2.133 -5.629 234 1HG PRO 26 2HG PRO 26 -1.819 -3.357 -4.667 235 2HG PRO 26 3HG PRO 26 -0.821 -2.177 -3.808 236 1HD PRO 26 2HD PRO 26 -3.461 -1.805 -5.093 237 2HD PRO 26 3HD PRO 26 -2.686 -0.855 -3.808 238 H LEU 27 H LEU 27 0.178 -0.311 -8.765 239 HA LEU 27 HA LEU 27 -1.350 0.054 -10.796 240 1HB LEU 27 2HB LEU 27 0.966 -1.749 -10.519 241 2HB LEU 27 3HB LEU 27 0.017 -1.942 -11.987 242 HG LEU 27 HG LEU 27 0.181 0.512 -12.385 243 1HD1 LEU 27 1HD1 LEU 27 2.084 1.623 -11.016 244 2HD1 LEU 27 2HD1 LEU 27 0.511 1.449 -10.243 245 3HD1 LEU 27 3HD1 LEU 27 1.813 0.326 -9.853 246 1HD2 LEU 27 1HD2 LEU 27 2.836 -0.916 -12.023 247 2HD2 LEU 27 2HD2 LEU 27 1.784 -1.047 -13.432 248 3HD2 LEU 27 3HD2 LEU 27 2.558 0.491 -13.052 249 H ASP 28 H ASP 28 -0.711 -3.415 -10.691 250 HA ASP 28 HA ASP 28 -3.478 -3.855 -11.532 251 1HB ASP 28 2HB ASP 28 -2.629 -6.254 -11.864 252 2HB ASP 28 3HB ASP 28 -2.045 -5.005 -12.961 253 H VAL 29 H VAL 29 -1.659 -6.305 -9.790 254 HA VAL 29 HA VAL 29 -2.321 -7.622 -8.018 255 HB VAL 29 HB VAL 29 -2.939 -4.866 -6.905 256 1HG1 VAL 29 1HG1 VAL 29 -3.923 -6.034 -5.218 257 2HG1 VAL 29 2HG1 VAL 29 -3.281 -7.572 -5.793 258 3HG1 VAL 29 3HG1 VAL 29 -2.286 -6.521 -4.785 259 1HG2 VAL 29 1HG2 VAL 29 -0.722 -5.194 -5.794 260 2HG2 VAL 29 2HG2 VAL 29 -0.524 -6.694 -6.699 261 3HG2 VAL 29 3HG2 VAL 29 -0.597 -5.153 -7.553 262 H ASN 30 H ASN 30 -4.095 -7.586 -10.025 263 HA ASN 30 HA ASN 30 -6.756 -7.012 -9.013 264 1HB ASN 30 2HB ASN 30 -7.480 -7.698 -11.273 265 2HB ASN 30 3HB ASN 30 -6.229 -6.465 -11.334 266 1HD2 ASN 30 2HD2 ASN 30 -3.897 -7.432 -11.509 267 2HD2 ASN 30 1HD2 ASN 30 -3.719 -8.766 -12.541 268 H SER 31 H SER 31 -5.702 -8.837 -7.365 269 HA SER 31 HA SER 31 -7.435 -11.113 -7.748 270 1HB SER 31 2HB SER 31 -5.186 -12.540 -7.171 271 2HB SER 31 3HB SER 31 -5.851 -12.361 -8.792 272 HG SER 31 HG SER 31 -4.488 -10.504 -9.011 273 H ARG 32 H ARG 32 -8.411 -11.126 -5.828 274 HA ARG 32 HA ARG 32 -7.531 -10.054 -3.433 275 1HB ARG 32 2HB ARG 32 -9.791 -10.698 -3.470 276 2HB ARG 32 3HB ARG 32 -9.422 -12.314 -4.067 277 1HG ARG 32 2HG ARG 32 -8.659 -13.049 -1.962 278 2HG ARG 32 3HG ARG 32 -8.443 -11.404 -1.363 279 1HD ARG 32 2HD ARG 32 -10.806 -11.060 -1.188 280 2HD ARG 32 3HD ARG 32 -11.154 -12.515 -2.118 281 HE ARG 32 HE ARG 32 -10.960 -13.725 -0.156 282 1HH1 ARG 32 1HH2 ARG 32 -9.732 -10.523 0.295 283 2HH1 ARG 32 2HH2 ARG 32 -9.183 -10.813 1.913 284 1HH2 ARG 32 1HH1 ARG 32 -10.073 -14.163 1.908 285 2HH2 ARG 32 2HH1 ARG 32 -9.378 -12.867 2.824 286 H GLU 33 H GLU 33 -6.722 -13.074 -4.967 287 HA GLU 33 HA GLU 33 -5.543 -14.434 -2.798 288 1HB GLU 33 2HB GLU 33 -5.308 -14.549 -5.778 289 2HB GLU 33 3HB GLU 33 -4.096 -15.389 -4.809 290 1HG GLU 33 2HG GLU 33 -5.675 -16.825 -3.841 291 2HG GLU 33 3HG GLU 33 -7.020 -15.745 -4.198 292 H GLU 34 H GLU 34 -3.993 -12.532 -5.393 293 HA GLU 34 HA GLU 34 -1.433 -12.463 -4.177 294 1HB GLU 34 2HB GLU 34 -2.768 -10.972 -6.403 295 2HB GLU 34 3HB GLU 34 -1.229 -10.382 -5.777 296 1HG GLU 34 2HG GLU 34 -0.887 -11.923 -7.676 297 2HG GLU 34 3HG GLU 34 -0.198 -12.579 -6.193 298 H ALA 35 H ALA 35 -4.051 -10.046 -4.316 299 HA ALA 35 HA ALA 35 -2.821 -8.020 -2.850 300 1HB ALA 35 1HB ALA 35 -5.014 -7.140 -2.477 301 2HB ALA 35 2HB ALA 35 -5.072 -7.940 -4.047 302 3HB ALA 35 3HB ALA 35 -5.755 -8.733 -2.628 303 H SER 36 H SER 36 -5.111 -10.454 -1.572 304 HA SER 36 HA SER 36 -4.735 -9.916 1.138 305 1HB SER 36 2HB SER 36 -6.494 -11.418 0.103 306 2HB SER 36 3HB SER 36 -5.256 -12.666 -0.007 307 HG SER 36 HG SER 36 -5.415 -12.971 2.065 308 H LYS 37 H LYS 37 -2.907 -12.038 -1.028 309 HA LYS 37 HA LYS 37 -1.252 -13.194 0.987 310 1HB LYS 37 2HB LYS 37 -1.103 -13.005 -2.008 311 2HB LYS 37 3HB LYS 37 0.245 -13.661 -1.084 312 1HG LYS 37 2HG LYS 37 -1.116 -15.406 -0.161 313 2HG LYS 37 3HG LYS 37 -2.595 -14.661 -0.766 314 1HD LYS 37 2HD LYS 37 -1.759 -14.998 -3.103 315 2HD LYS 37 3HD LYS 37 -0.365 -15.853 -2.442 316 1HE LYS 37 2HE LYS 37 -2.249 -17.255 -1.197 317 2HE LYS 37 3HE LYS 37 -3.231 -16.704 -2.557 318 1HZ LYS 37 1HZ LYS 37 -1.531 -18.828 -2.571 319 2HZ LYS 37 2HZ LYS 37 -0.637 -17.614 -3.357 320 3HZ LYS 37 3HZ LYS 37 -2.169 -18.058 -3.942 321 H LEU 38 H LEU 38 -1.206 -10.142 -0.625 322 HA LEU 38 HA LEU 38 1.626 -9.692 -0.152 323 1HB LEU 38 2HB LEU 38 1.295 -8.358 -1.922 324 2HB LEU 38 3HB LEU 38 -0.450 -8.510 -1.777 325 HG LEU 38 HG LEU 38 1.062 -6.645 0.045 326 1HD1 LEU 38 1HD1 LEU 38 0.438 -4.852 -1.664 327 2HD1 LEU 38 2HD1 LEU 38 1.799 -5.890 -2.088 328 3HD1 LEU 38 3HD1 LEU 38 0.215 -6.172 -2.812 329 1HD2 LEU 38 1HD2 LEU 38 -1.374 -7.248 0.415 330 2HD2 LEU 38 2HD2 LEU 38 -1.079 -5.528 0.185 331 3HD2 LEU 38 3HD2 LEU 38 -1.726 -6.495 -1.139 332 H ILE 39 H ILE 39 -1.249 -9.403 1.640 333 HA ILE 39 HA ILE 39 -0.809 -7.128 3.212 334 HB ILE 39 HB ILE 39 -2.100 -9.781 3.886 335 1HG1 ILE 39 2HG1 ILE 39 -3.278 -7.031 3.358 336 2HG1 ILE 39 3HG1 ILE 39 -3.172 -8.314 2.153 337 1HG2 ILE 39 1HG2 ILE 39 -3.139 -8.320 5.778 338 2HG2 ILE 39 2HG2 ILE 39 -1.517 -8.967 6.017 339 3HG2 ILE 39 3HG2 ILE 39 -1.733 -7.283 5.539 340 1HD1 ILE 39 1HD1 ILE 39 -5.334 -8.619 2.995 341 2HD1 ILE 39 2HD1 ILE 39 -4.399 -9.759 3.963 342 3HD1 ILE 39 3HD1 ILE 39 -4.860 -8.198 4.641 343 H GLY 40 H GLY 40 0.699 -6.614 4.695 344 1HA GLY 40 1HA GLY 40 2.010 -7.210 6.651 345 2HA GLY 40 2HA GLY 40 2.256 -8.801 5.941 346 H ARG 41 H ARG 41 2.576 -7.161 3.288 347 HA ARG 41 HA ARG 41 5.430 -7.188 3.307 348 1HB ARG 41 2HB ARG 41 3.344 -6.315 1.320 349 2HB ARG 41 3HB ARG 41 5.051 -5.984 1.033 350 1HG ARG 41 2HG ARG 41 5.395 -8.513 1.585 351 2HG ARG 41 3HG ARG 41 3.668 -8.650 1.262 352 1HD ARG 41 2HD ARG 41 4.095 -7.496 -0.955 353 2HD ARG 41 3HD ARG 41 5.817 -7.664 -0.627 354 HE ARG 41 HE ARG 41 4.732 -10.205 -0.323 355 1HH1 ARG 41 1HH2 ARG 41 5.438 -7.866 -2.758 356 2HH1 ARG 41 2HH2 ARG 41 5.255 -8.972 -4.077 357 1HH2 ARG 41 1HH1 ARG 41 4.299 -11.630 -2.079 358 2HH2 ARG 41 2HH1 ARG 41 4.609 -11.091 -3.695 359 H LEU 42 H LEU 42 6.775 -5.304 2.726 360 HA LEU 42 HA LEU 42 5.917 -2.943 4.267 361 1HB LEU 42 2HB LEU 42 8.047 -4.251 4.822 362 2HB LEU 42 3HB LEU 42 8.717 -3.564 3.342 363 HG LEU 42 HG LEU 42 7.741 -1.308 4.426 364 1HD1 LEU 42 1HD1 LEU 42 6.855 -2.513 6.411 365 2HD1 LEU 42 2HD1 LEU 42 8.492 -3.030 6.812 366 3HD1 LEU 42 3HD1 LEU 42 8.070 -1.318 6.857 367 1HD2 LEU 42 1HD2 LEU 42 10.364 -2.728 4.889 368 2HD2 LEU 42 2HD2 LEU 42 10.016 -1.377 3.810 369 3HD2 LEU 42 3HD2 LEU 42 10.082 -1.118 5.553 370 H VAL 43 H VAL 43 5.512 -1.078 3.293 371 HA VAL 43 HA VAL 43 6.028 -0.813 0.412 372 HB VAL 43 HB VAL 43 4.581 1.301 0.773 373 1HG1 VAL 43 1HG1 VAL 43 3.621 -1.549 1.068 374 2HG1 VAL 43 2HG1 VAL 43 2.485 -0.202 0.971 375 3HG1 VAL 43 3HG1 VAL 43 3.588 -0.523 -0.367 376 1HG2 VAL 43 1HG2 VAL 43 4.926 1.091 3.338 377 2HG2 VAL 43 2HG2 VAL 43 3.300 1.452 2.760 378 3HG2 VAL 43 3HG2 VAL 43 3.716 -0.189 3.255 379 H LEU 44 H LEU 44 8.043 -0.080 0.013 380 HA LEU 44 HA LEU 44 9.108 2.119 1.674 381 1HB LEU 44 2HB LEU 44 10.469 -0.016 1.259 382 2HB LEU 44 3HB LEU 44 10.644 0.555 -0.400 383 HG LEU 44 HG LEU 44 11.349 2.284 1.985 384 1HD1 LEU 44 1HD1 LEU 44 12.676 0.117 1.904 385 2HD1 LEU 44 2HD1 LEU 44 13.289 0.642 0.336 386 3HD1 LEU 44 3HD1 LEU 44 13.639 1.589 1.783 387 1HD2 LEU 44 1HD2 LEU 44 11.740 2.399 -0.997 388 2HD2 LEU 44 2HD2 LEU 44 11.192 3.666 0.101 389 3HD2 LEU 44 3HD2 LEU 44 12.894 3.208 0.061 390 H TRP 45 H TRP 45 8.080 3.849 0.843 391 HA TRP 45 HA TRP 45 8.179 4.390 -2.045 392 1HB TRP 45 2HB TRP 45 6.004 4.672 -1.212 393 2HB TRP 45 3HB TRP 45 6.565 5.437 0.267 394 HD1 TRP 45 HD1 TRP 45 6.855 6.251 -3.523 395 HE1 TRP 45 HE1 TRP 45 6.343 8.768 -3.831 396 HE3 TRP 45 HE3 TRP 45 6.067 7.605 1.342 397 HZ2 TRP 45 HZ2 TRP 45 5.720 11.037 -2.233 398 HZ3 TRP 45 HZ3 TRP 45 5.522 9.956 1.913 399 HH2 TRP 45 HH2 TRP 45 5.354 11.668 0.132 400 H LYS 46 H LYS 46 9.322 6.000 -2.920 401 HA LYS 46 HA LYS 46 11.357 7.312 -1.325 402 1HB LYS 46 2HB LYS 46 10.719 7.115 -4.255 403 2HB LYS 46 3HB LYS 46 11.855 8.333 -3.678 404 1HG LYS 46 2HG LYS 46 13.154 6.530 -2.543 405 2HG LYS 46 3HG LYS 46 12.058 5.338 -3.242 406 1HD LYS 46 2HD LYS 46 12.673 6.163 -5.520 407 2HD LYS 46 3HD LYS 46 13.839 7.258 -4.777 408 1HE LYS 46 2HE LYS 46 14.679 5.023 -3.606 409 2HE LYS 46 3HE LYS 46 13.923 4.274 -5.014 410 1HZ LYS 46 1HZ LYS 46 15.282 6.298 -6.127 411 2HZ LYS 46 2HZ LYS 46 15.879 4.715 -5.980 412 3HZ LYS 46 3HZ LYS 46 16.309 5.898 -4.837 413 H SER 47 H SER 47 11.751 9.718 -1.762 414 HA SER 47 HA SER 47 9.652 11.445 -2.528 415 1HB SER 47 2HB SER 47 9.103 10.285 -0.082 416 2HB SER 47 3HB SER 47 9.861 11.806 0.375 417 HG SER 47 HG SER 47 7.679 12.164 0.074 418 HA PRO 48 HA PRO 48 12.904 14.411 -2.611 419 1HB PRO 48 2HB PRO 48 11.451 16.500 -1.277 420 2HB PRO 48 3HB PRO 48 11.743 16.308 -3.012 421 1HG PRO 48 2HG PRO 48 9.355 15.705 -1.450 422 2HG PRO 48 3HG PRO 48 9.536 15.930 -3.195 423 1HD PRO 48 2HD PRO 48 9.036 13.503 -2.021 424 2HD PRO 48 3HD PRO 48 9.865 13.685 -3.580 425 H SER 49 H SER 49 13.988 16.121 -1.100 426 HA SER 49 HA SER 49 15.211 16.521 0.800 427 1HB SER 49 2HB SER 49 12.632 15.502 1.979 428 2HB SER 49 3HB SER 49 13.998 15.928 3.004 429 HG SER 49 HG SER 49 12.235 17.521 1.718 430 H GLY 50 H GLY 50 14.822 13.668 -0.513 431 1HA GLY 50 1HA GLY 50 15.896 11.645 -0.343 432 2HA GLY 50 2HA GLY 50 16.961 12.404 0.836 433 H LYS 51 H LYS 51 13.730 12.751 1.722 434 HA LYS 51 HA LYS 51 14.035 11.006 3.984 435 1HB LYS 51 2HB LYS 51 12.750 13.230 3.888 436 2HB LYS 51 3HB LYS 51 11.461 12.312 3.114 437 1HG LYS 51 2HG LYS 51 11.311 10.816 5.035 438 2HG LYS 51 3HG LYS 51 12.695 11.602 5.795 439 1HD LYS 51 2HD LYS 51 10.365 13.310 5.010 440 2HD LYS 51 3HD LYS 51 10.202 12.291 6.439 441 1HE LYS 51 2HE LYS 51 11.069 14.344 7.265 442 2HE LYS 51 3HE LYS 51 12.467 13.271 7.184 443 1HZ LYS 51 1HZ LYS 51 12.636 15.625 6.184 444 2HZ LYS 51 2HZ LYS 51 11.766 14.969 4.881 445 3HZ LYS 51 3HZ LYS 51 13.274 14.317 5.311 446 H ILE 52 H ILE 52 14.155 8.885 3.332 447 HA ILE 52 HA ILE 52 12.156 7.771 1.537 448 HB ILE 52 HB ILE 52 14.308 6.368 3.142 449 1HG1 ILE 52 2HG1 ILE 52 15.397 7.947 1.686 450 2HG1 ILE 52 3HG1 ILE 52 15.505 6.374 0.899 451 1HG2 ILE 52 1HG2 ILE 52 13.919 4.500 1.723 452 2HG2 ILE 52 2HG2 ILE 52 12.312 5.048 2.200 453 3HG2 ILE 52 3HG2 ILE 52 12.943 5.452 0.604 454 1HD1 ILE 52 1HD1 ILE 52 13.696 8.693 0.218 455 2HD1 ILE 52 2HD1 ILE 52 14.811 7.826 -0.837 456 3HD1 ILE 52 3HD1 ILE 52 13.314 7.055 -0.313 457 H LEU 53 H LEU 53 10.188 7.322 2.285 458 HA LEU 53 HA LEU 53 9.874 6.668 5.136 459 1HB LEU 53 2HB LEU 53 7.751 7.300 3.073 460 2HB LEU 53 3HB LEU 53 7.513 7.148 4.815 461 HG LEU 53 HG LEU 53 9.550 9.098 3.770 462 1HD1 LEU 53 1HD1 LEU 53 6.552 9.490 3.855 463 2HD1 LEU 53 2HD1 LEU 53 7.696 10.833 3.854 464 3HD1 LEU 53 3HD1 LEU 53 7.636 9.727 2.483 465 1HD2 LEU 53 1HD2 LEU 53 8.707 10.324 5.846 466 2HD2 LEU 53 2HD2 LEU 53 7.783 8.868 6.220 467 3HD2 LEU 53 3HD2 LEU 53 9.544 8.802 6.146 468 H LYS 54 H LYS 54 8.847 4.819 5.832 469 HA LYS 54 HA LYS 54 8.117 2.770 3.892 470 1HB LYS 54 2HB LYS 54 9.552 1.282 5.643 471 2HB LYS 54 3HB LYS 54 10.194 1.895 4.124 472 1HG LYS 54 2HG LYS 54 11.317 3.677 5.169 473 2HG LYS 54 3HG LYS 54 10.321 3.569 6.622 474 1HD LYS 54 2HD LYS 54 11.463 1.693 7.427 475 2HD LYS 54 3HD LYS 54 12.069 1.253 5.831 476 1HE LYS 54 2HE LYS 54 13.668 2.407 7.606 477 2HE LYS 54 3HE LYS 54 13.783 2.814 5.896 478 1HZ LYS 54 1HZ LYS 54 12.726 4.387 8.118 479 2HZ LYS 54 2HZ LYS 54 11.955 4.557 6.615 480 3HZ LYS 54 3HZ LYS 54 13.613 4.886 6.762 481 H GLY 55 H GLY 55 6.079 2.440 4.521 482 1HA GLY 55 1HA GLY 55 5.462 2.201 7.401 483 2HA GLY 55 2HA GLY 55 4.288 2.520 6.124 484 H LYS 56 H LYS 56 2.987 0.728 6.763 485 HA LYS 56 HA LYS 56 3.863 -1.776 5.581 486 1HB LYS 56 2HB LYS 56 4.669 -1.743 8.017 487 2HB LYS 56 3HB LYS 56 2.963 -1.856 8.456 488 1HG LYS 56 2HG LYS 56 2.734 -3.908 7.135 489 2HG LYS 56 3HG LYS 56 4.417 -3.790 6.624 490 1HD LYS 56 2HD LYS 56 5.239 -4.403 8.699 491 2HD LYS 56 3HD LYS 56 3.841 -3.762 9.561 492 1HE LYS 56 2HE LYS 56 3.892 -6.287 7.882 493 2HE LYS 56 3HE LYS 56 3.823 -6.211 9.641 494 1HZ LYS 56 1HZ LYS 56 1.730 -4.883 9.337 495 2HZ LYS 56 2HZ LYS 56 1.630 -6.524 8.908 496 3HZ LYS 56 3HZ LYS 56 1.765 -5.335 7.703 497 H ILE 57 H ILE 57 2.208 -3.026 4.881 498 HA ILE 57 HA ILE 57 -0.410 -1.861 4.750 499 HB ILE 57 HB ILE 57 0.507 -4.635 3.934 500 1HG1 ILE 57 2HG1 ILE 57 0.274 -2.090 2.292 501 2HG1 ILE 57 3HG1 ILE 57 1.794 -2.772 2.870 502 1HG2 ILE 57 1HG2 ILE 57 -1.456 -4.533 2.427 503 2HG2 ILE 57 2HG2 ILE 57 -1.942 -4.416 4.117 504 3HG2 ILE 57 3HG2 ILE 57 -1.893 -2.969 3.112 505 1HD1 ILE 57 1HD1 ILE 57 0.085 -3.627 0.631 506 2HD1 ILE 57 2HD1 ILE 57 1.809 -3.884 0.894 507 3HD1 ILE 57 3HD1 ILE 57 0.634 -4.949 1.662 508 H VAL 58 H VAL 58 -2.180 -2.316 5.946 509 HA VAL 58 HA VAL 58 -1.788 -4.107 8.241 510 HB VAL 58 HB VAL 58 -4.125 -2.887 8.802 511 1HG1 VAL 58 1HG1 VAL 58 -2.057 -2.898 10.170 512 2HG1 VAL 58 2HG1 VAL 58 -1.373 -1.651 9.127 513 3HG1 VAL 58 3HG1 VAL 58 -2.787 -1.293 10.117 514 1HG2 VAL 58 1HG2 VAL 58 -2.570 -0.882 7.125 515 2HG2 VAL 58 2HG2 VAL 58 -4.095 -1.625 6.643 516 3HG2 VAL 58 3HG2 VAL 58 -4.038 -0.556 8.044 517 H ARG 59 H ARG 59 -4.544 -3.262 6.103 518 HA ARG 59 HA ARG 59 -5.135 -6.122 5.795 519 1HB ARG 59 2HB ARG 59 -7.357 -4.218 6.518 520 2HB ARG 59 3HB ARG 59 -7.364 -5.981 6.547 521 1HG ARG 59 2HG ARG 59 -5.612 -5.861 8.377 522 2HG ARG 59 3HG ARG 59 -5.898 -4.120 8.436 523 1HD ARG 59 2HD ARG 59 -8.363 -4.664 8.775 524 2HD ARG 59 3HD ARG 59 -7.874 -6.340 9.012 525 HE ARG 59 HE ARG 59 -7.417 -5.685 11.178 526 1HH1 ARG 59 1HH1 ARG 59 -7.915 -2.759 9.674 527 2HH1 ARG 59 2HH1 ARG 59 -6.763 -1.858 10.602 528 1HH2 ARG 59 1HH2 ARG 59 -5.375 -4.662 12.097 529 2HH2 ARG 59 2HH2 ARG 59 -5.327 -2.935 11.973 530 H VAL 60 H VAL 60 -6.668 -6.553 4.057 531 HA VAL 60 HA VAL 60 -6.312 -4.667 1.866 532 HB VAL 60 HB VAL 60 -5.911 -7.003 1.362 533 1HG1 VAL 60 1HG1 VAL 60 -7.444 -8.744 1.740 534 2HG1 VAL 60 2HG1 VAL 60 -7.607 -7.760 3.193 535 3HG1 VAL 60 3HG1 VAL 60 -8.806 -7.637 1.906 536 1HG2 VAL 60 1HG2 VAL 60 -7.211 -5.406 -0.252 537 2HG2 VAL 60 2HG2 VAL 60 -7.144 -7.127 -0.630 538 3HG2 VAL 60 3HG2 VAL 60 -8.592 -6.441 0.107 539 H HIS 61 H HIS 61 -7.887 -3.548 0.847 540 HA HIS 61 HA HIS 61 -10.678 -3.865 1.700 541 1HB HIS 61 2HB HIS 61 -8.939 -1.498 2.174 542 2HB HIS 61 3HB HIS 61 -10.566 -1.168 1.580 543 HD1 HIS 61 HD1 HIS 61 -12.514 -1.563 3.175 544 HD2 HIS 61 HD2 HIS 61 -8.876 -2.883 4.719 545 HE1 HIS 61 HE1 HIS 61 -12.939 -2.148 5.600 546 H GLY 62 H GLY 62 -10.768 -4.837 -0.379 547 1HA GLY 62 1HA GLY 62 -12.003 -3.571 -2.386 548 2HA GLY 62 2HA GLY 62 -10.313 -3.213 -2.748 549 H THR 63 H THR 63 -10.680 -6.091 -1.061 550 HA THR 63 HA THR 63 -10.216 -8.261 -1.590 551 HB THR 63 HB THR 63 -11.645 -9.258 -3.345 552 HG1 THR 63 HG1 THR 63 -12.917 -6.861 -3.825 553 1HG2 THR 63 1HG2 THR 63 -12.495 -8.673 -1.036 554 2HG2 THR 63 2HG2 THR 63 -13.171 -7.201 -1.733 555 3HG2 THR 63 3HG2 THR 63 -13.745 -8.778 -2.276 556 H LYS 64 H LYS 64 -10.685 -7.664 -4.984 557 HA LYS 64 HA LYS 64 -7.888 -8.386 -5.478 558 1HB LYS 64 2HB LYS 64 -9.855 -7.962 -7.685 559 2HB LYS 64 3HB LYS 64 -8.583 -9.172 -7.530 560 1HG LYS 64 2HG LYS 64 -9.956 -10.215 -5.661 561 2HG LYS 64 3HG LYS 64 -11.264 -9.126 -6.123 562 1HD LYS 64 2HD LYS 64 -9.917 -10.925 -8.143 563 2HD LYS 64 3HD LYS 64 -11.282 -11.481 -7.173 564 1HE LYS 64 2HE LYS 64 -12.522 -9.392 -7.973 565 2HE LYS 64 3HE LYS 64 -11.222 -9.187 -9.145 566 1HZ LYS 64 1HZ LYS 64 -12.906 -11.616 -8.869 567 2HZ LYS 64 2HZ LYS 64 -11.689 -11.366 -10.029 568 3HZ LYS 64 3HZ LYS 64 -13.101 -10.422 -10.056 569 H GLY 65 H GLY 65 -7.949 -5.828 -4.462 570 1HA GLY 65 1HA GLY 65 -7.025 -4.300 -6.742 571 2HA GLY 65 2HA GLY 65 -8.419 -3.649 -5.902 572 H ALA 66 H ALA 66 -7.887 -2.099 -4.660 573 HA ALA 66 HA ALA 66 -5.282 -1.548 -3.693 574 1HB ALA 66 1HB ALA 66 -6.479 0.396 -3.912 575 2HB ALA 66 2HB ALA 66 -7.990 -0.351 -3.392 576 3HB ALA 66 3HB ALA 66 -6.768 0.090 -2.199 577 H VAL 67 H VAL 67 -5.156 -0.821 -1.271 578 HA VAL 67 HA VAL 67 -6.344 -2.727 0.584 579 HB VAL 67 HB VAL 67 -4.282 -3.630 1.386 580 1HG1 VAL 67 1HG1 VAL 67 -5.177 -4.614 -0.745 581 2HG1 VAL 67 2HG1 VAL 67 -4.046 -3.596 -1.637 582 3HG1 VAL 67 3HG1 VAL 67 -3.442 -4.834 -0.536 583 1HG2 VAL 67 1HG2 VAL 67 -2.787 -1.795 1.363 584 2HG2 VAL 67 2HG2 VAL 67 -2.109 -2.906 0.173 585 3HG2 VAL 67 3HG2 VAL 67 -3.035 -1.502 -0.358 586 H ARG 68 H ARG 68 -5.654 -2.223 2.855 587 HA ARG 68 HA ARG 68 -5.678 0.671 3.225 588 1HB ARG 68 2HB ARG 68 -7.247 -0.816 4.469 589 2HB ARG 68 3HB ARG 68 -5.863 -1.531 5.294 590 1HG ARG 68 2HG ARG 68 -5.242 0.683 6.188 591 2HG ARG 68 3HG ARG 68 -6.617 1.407 5.353 592 1HD ARG 68 2HD ARG 68 -8.167 0.041 6.659 593 2HD ARG 68 3HD ARG 68 -6.820 -0.777 7.446 594 HE ARG 68 HE ARG 68 -6.285 1.728 8.136 595 1HH1 ARG 68 1HH2 ARG 68 -9.368 1.852 7.219 596 2HH1 ARG 68 2HH2 ARG 68 -10.096 2.012 8.782 597 1HH2 ARG 68 1HH1 ARG 68 -7.205 1.175 10.509 598 2HH2 ARG 68 2HH1 ARG 68 -8.871 1.629 10.644 599 H ALA 69 H ALA 69 -4.195 1.811 4.460 600 HA ALA 69 HA ALA 69 -1.777 0.467 5.408 601 1HB ALA 69 1HB ALA 69 -1.816 2.550 3.219 602 2HB ALA 69 2HB ALA 69 -0.381 2.222 4.191 603 3HB ALA 69 3HB ALA 69 -1.073 0.950 3.185 604 H ARG 70 H ARG 70 -0.345 2.028 6.580 605 HA ARG 70 HA ARG 70 -1.666 4.451 7.559 606 1HB ARG 70 2HB ARG 70 -0.833 2.184 9.393 607 2HB ARG 70 3HB ARG 70 -1.360 3.783 9.922 608 1HG ARG 70 2HG ARG 70 -3.528 3.399 8.700 609 2HG ARG 70 3HG ARG 70 -2.997 1.746 8.384 610 1HD ARG 70 2HD ARG 70 -4.473 1.966 10.405 611 2HD ARG 70 3HD ARG 70 -2.901 1.249 10.742 612 HE ARG 70 HE ARG 70 -3.125 4.140 11.136 613 1HH1 ARG 70 1HH1 ARG 70 -4.448 1.604 12.820 614 2HH1 ARG 70 2HH1 ARG 70 -3.544 1.833 14.280 615 1HH2 ARG 70 1HH2 ARG 70 -1.375 4.158 12.888 616 2HH2 ARG 70 2HH2 ARG 70 -1.804 3.282 14.320 617 H PHE 71 H PHE 71 -0.238 5.960 8.430 618 HA PHE 71 HA PHE 71 2.627 5.244 8.417 619 1HB PHE 71 2HB PHE 71 1.334 7.618 7.055 620 2HB PHE 71 3HB PHE 71 3.066 7.497 7.363 621 HD1 PHE 71 HD1 PHE 71 0.214 5.722 5.709 622 HD2 PHE 71 HD2 PHE 71 4.468 6.284 5.898 623 HE1 PHE 71 HE1 PHE 71 0.488 4.350 3.663 624 HE2 PHE 71 HE2 PHE 71 4.741 4.915 3.851 625 HZ PHE 71 HZ PHE 71 2.752 3.948 2.732 626 H GLU 72 H GLU 72 3.430 5.633 10.350 627 HA GLU 72 HA GLU 72 2.144 7.491 12.182 628 1HB GLU 72 2HB GLU 72 3.987 6.708 13.742 629 2HB GLU 72 3HB GLU 72 2.892 5.448 13.176 630 1HG GLU 72 2HG GLU 72 5.011 5.686 11.270 631 2HG GLU 72 3HG GLU 72 5.733 5.594 12.874 632 H LYS 73 H LYS 73 4.900 7.357 10.076 633 HA LYS 73 HA LYS 73 6.219 9.658 11.271 634 1HB LYS 73 2HB LYS 73 6.927 7.549 9.496 635 2HB LYS 73 3HB LYS 73 7.182 9.072 8.648 636 1HG LYS 73 2HG LYS 73 8.527 9.921 10.514 637 2HG LYS 73 3HG LYS 73 8.245 8.428 11.415 638 1HD LYS 73 2HD LYS 73 9.372 7.136 9.651 639 2HD LYS 73 3HD LYS 73 9.635 8.614 8.724 640 1HE LYS 73 2HE LYS 73 10.878 7.795 11.348 641 2HE LYS 73 3HE LYS 73 11.680 8.290 9.859 642 1HZ LYS 73 1HZ LYS 73 10.390 9.933 11.914 643 2HZ LYS 73 2HZ LYS 73 10.346 10.483 10.307 644 3HZ LYS 73 3HZ LYS 73 11.837 10.196 11.070 645 H GLY 74 H GLY 74 3.693 9.092 9.144 646 1HA GLY 74 1HA GLY 74 2.421 10.457 7.799 647 2HA GLY 74 2HA GLY 74 3.194 11.816 8.611 648 H LEU 75 H LEU 75 2.606 12.079 5.980 649 HA LEU 75 HA LEU 75 5.091 11.554 4.492 650 1HB LEU 75 2HB LEU 75 2.788 12.843 3.132 651 2HB LEU 75 3HB LEU 75 3.856 11.559 2.570 652 HG LEU 75 HG LEU 75 1.687 11.185 4.662 653 1HD1 LEU 75 1HD1 LEU 75 1.747 10.431 1.723 654 2HD1 LEU 75 2HD1 LEU 75 0.483 9.981 2.867 655 3HD1 LEU 75 3HD1 LEU 75 0.729 11.676 2.446 656 1HD2 LEU 75 1HD2 LEU 75 2.211 8.871 4.563 657 2HD2 LEU 75 2HD2 LEU 75 3.151 9.060 3.083 658 3HD2 LEU 75 3HD2 LEU 75 3.785 9.661 4.615 659 HA PRO 76 HA PRO 76 6.288 15.778 4.433 660 1HB PRO 76 2HB PRO 76 6.577 16.111 1.582 661 2HB PRO 76 3HB PRO 76 7.833 15.773 2.781 662 1HG PRO 76 2HG PRO 76 6.960 14.030 0.821 663 2HG PRO 76 3HG PRO 76 7.880 13.589 2.265 664 1HD PRO 76 2HD PRO 76 4.979 13.244 1.709 665 2HD PRO 76 3HD PRO 76 6.050 12.290 2.757 666 H GLY 77 H GLY 77 5.866 18.021 3.490 667 1HA GLY 77 1HA GLY 77 3.222 18.761 3.734 668 2HA GLY 77 2HA GLY 77 4.428 19.717 2.883 669 H GLN 78 H GLN 78 1.554 18.019 2.585 670 HA GLN 78 HA GLN 78 0.264 17.283 0.832 671 1HB GLN 78 2HB GLN 78 0.591 19.849 0.497 672 2HB GLN 78 3HB GLN 78 1.600 19.375 -0.868 673 1HG GLN 78 2HG GLN 78 -1.302 18.606 -0.424 674 2HG GLN 78 3HG GLN 78 -0.699 19.739 -1.630 675 1HE2 GLN 78 2HE2 GLN 78 0.678 18.807 -3.399 676 2HE2 GLN 78 1HE2 GLN 78 0.507 17.169 -3.811 677 H ALA 79 H ALA 79 1.026 15.242 0.379 678 HA ALA 79 HA ALA 79 2.862 15.052 -1.932 679 1HB ALA 79 1HB ALA 79 4.295 14.285 -0.292 680 2HB ALA 79 2HB ALA 79 2.988 13.652 0.707 681 3HB ALA 79 3HB ALA 79 3.498 12.779 -0.737 682 H LEU 80 H LEU 80 -0.140 14.922 -1.516 683 HA LEU 80 HA LEU 80 -0.895 12.196 -2.036 684 1HB LEU 80 2HB LEU 80 -2.305 14.848 -2.037 685 2HB LEU 80 3HB LEU 80 -3.094 13.424 -2.707 686 HG LEU 80 HG LEU 80 -3.591 13.841 -0.263 687 1HD1 LEU 80 1HD1 LEU 80 -3.796 11.592 0.109 688 2HD1 LEU 80 2HD1 LEU 80 -3.344 11.511 -1.592 689 3HD1 LEU 80 3HD1 LEU 80 -2.126 11.254 -0.342 690 1HD2 LEU 80 1HD2 LEU 80 -0.747 12.893 0.176 691 2HD2 LEU 80 2HD2 LEU 80 -1.199 14.597 0.226 692 3HD2 LEU 80 3HD2 LEU 80 -1.893 13.464 1.386 693 H GLY 81 H GLY 81 0.242 11.502 -3.863 694 1HA GLY 81 1HA GLY 81 -0.851 11.476 -6.301 695 2HA GLY 81 2HA GLY 81 0.013 13.005 -6.355 696 H ASP 82 H ASP 82 2.051 11.550 -4.432 697 HA ASP 82 HA ASP 82 3.858 10.831 -6.533 698 1HB ASP 82 2HB ASP 82 4.241 11.729 -4.028 699 2HB ASP 82 3HB ASP 82 4.430 10.001 -3.739 700 H TYR 83 H TYR 83 4.476 8.840 -7.234 701 HA TYR 83 HA TYR 83 2.686 6.654 -6.851 702 1HB TYR 83 2HB TYR 83 5.350 6.986 -8.226 703 2HB TYR 83 3HB TYR 83 4.588 5.406 -8.089 704 HD1 TYR 83 HD1 TYR 83 3.230 4.732 -9.854 705 HD2 TYR 83 HD2 TYR 83 3.629 8.927 -9.006 706 HE1 TYR 83 HE1 TYR 83 1.794 5.265 -11.803 707 HE2 TYR 83 HE2 TYR 83 2.191 9.456 -10.953 708 HH TYR 83 HH TYR 83 0.331 8.166 -12.265 709 H VAL 84 H VAL 84 2.851 4.895 -5.520 710 HA VAL 84 HA VAL 84 4.923 4.999 -3.450 711 HB VAL 84 HB VAL 84 3.576 3.203 -2.362 712 1HG1 VAL 84 1HG1 VAL 84 3.115 5.524 -1.796 713 2HG1 VAL 84 2HG1 VAL 84 2.082 5.700 -3.214 714 3HG1 VAL 84 3HG1 VAL 84 1.589 4.645 -1.889 715 1HG2 VAL 84 1HG2 VAL 84 1.398 2.611 -3.307 716 2HG2 VAL 84 2HG2 VAL 84 1.671 3.689 -4.674 717 3HG2 VAL 84 3HG2 VAL 84 2.663 2.243 -4.479 718 H GLU 85 H GLU 85 6.095 3.024 -2.880 719 HA GLU 85 HA GLU 85 6.263 0.999 -4.987 720 1HB GLU 85 2HB GLU 85 8.642 2.671 -4.125 721 2HB GLU 85 3HB GLU 85 8.709 1.269 -5.191 722 1HG GLU 85 2HG GLU 85 7.127 2.453 -6.744 723 2HG GLU 85 3HG GLU 85 7.259 3.879 -5.718 724 H ILE 86 H ILE 86 7.355 -0.891 -4.360 725 HA ILE 86 HA ILE 86 7.651 -1.172 -1.425 726 HB ILE 86 HB ILE 86 6.943 -3.211 -3.563 727 1HG1 ILE 86 2HG1 ILE 86 5.025 -3.380 -1.646 728 2HG1 ILE 86 3HG1 ILE 86 5.446 -1.674 -1.505 729 1HG2 ILE 86 1HG2 ILE 86 8.071 -4.636 -2.179 730 2HG2 ILE 86 2HG2 ILE 86 8.008 -3.526 -0.812 731 3HG2 ILE 86 3HG2 ILE 86 6.606 -4.521 -1.205 732 1HD1 ILE 86 1HD1 ILE 86 4.484 -3.141 -3.972 733 2HD1 ILE 86 2HD1 ILE 86 3.699 -1.798 -3.142 734 3HD1 ILE 86 3HD1 ILE 86 5.192 -1.528 -4.038 735 H VAL 87 H VAL 87 9.822 -0.152 -1.865 736 HA VAL 87 HA VAL 87 11.692 -1.980 -3.213 737 HB VAL 87 HB VAL 87 12.570 0.595 -1.971 738 1HG1 VAL 87 1HG1 VAL 87 14.094 -1.056 -3.157 739 2HG1 VAL 87 2HG1 VAL 87 13.203 -0.702 -4.636 740 3HG1 VAL 87 3HG1 VAL 87 14.113 0.574 -3.828 741 1HG2 VAL 87 1HG2 VAL 87 11.047 0.351 -4.593 742 2HG2 VAL 87 2HG2 VAL 87 10.452 1.157 -3.144 743 3HG2 VAL 87 3HG2 VAL 87 11.845 1.810 -4.005 Start of MODEL 2 1 1H MET 1 1HT MET 1 13.175 -6.957 -5.518 2 2H MET 1 2HT MET 1 13.955 -7.462 -6.940 3 3H MET 1 3HT MET 1 13.270 -8.610 -5.891 4 HA MET 1 HA MET 1 12.078 -7.302 -8.062 5 1HB MET 1 2HB MET 1 11.149 -9.281 -5.968 6 2HB MET 1 3HB MET 1 10.140 -8.789 -7.330 7 1HG MET 1 2HG MET 1 11.931 -9.508 -8.893 8 2HG MET 1 3HG MET 1 12.884 -10.064 -7.518 9 1HE MET 1 1HE MET 1 12.804 -12.778 -7.053 10 2HE MET 1 2HE MET 1 13.191 -12.076 -8.622 11 3HE MET 1 3HE MET 1 12.133 -13.481 -8.531 12 H ARG 2 H ARG 2 11.580 -5.195 -7.837 13 HA ARG 2 HA ARG 2 9.981 -4.320 -5.522 14 1HB ARG 2 2HB ARG 2 10.457 -2.022 -6.704 15 2HB ARG 2 3HB ARG 2 11.728 -2.808 -5.767 16 1HG ARG 2 2HG ARG 2 12.897 -3.493 -7.659 17 2HG ARG 2 3HG ARG 2 11.462 -3.466 -8.684 18 1HD ARG 2 2HD ARG 2 11.438 -0.994 -8.564 19 2HD ARG 2 3HD ARG 2 12.896 -1.036 -7.575 20 HE ARG 2 HE ARG 2 12.757 -1.369 -10.430 21 1HH1 ARG 2 1HH2 ARG 2 14.062 -3.891 -9.214 22 2HH1 ARG 2 2HH2 ARG 2 15.737 -3.457 -9.280 23 1HH2 ARG 2 1HH1 ARG 2 15.126 -0.091 -9.805 24 2HH2 ARG 2 2HH1 ARG 2 16.337 -1.313 -9.615 25 H ILE 3 H ILE 3 8.390 -2.489 -6.172 26 HA ILE 3 HA ILE 3 7.026 -2.997 -8.711 27 HB ILE 3 HB ILE 3 5.173 -2.901 -6.406 28 1HG1 ILE 3 2HG1 ILE 3 6.858 -5.362 -6.996 29 2HG1 ILE 3 3HG1 ILE 3 6.907 -4.416 -5.512 30 1HG2 ILE 3 1HG2 ILE 3 4.694 -3.208 -8.941 31 2HG2 ILE 3 2HG2 ILE 3 5.259 -4.861 -8.704 32 3HG2 ILE 3 3HG2 ILE 3 3.854 -4.273 -7.816 33 1HD1 ILE 3 1HD1 ILE 3 4.743 -6.238 -6.519 34 2HD1 ILE 3 2HD1 ILE 3 5.473 -6.156 -4.916 35 3HD1 ILE 3 3HD1 ILE 3 4.331 -4.913 -5.430 36 H LYS 4 H LYS 4 4.879 -1.487 -8.589 37 HA LYS 4 HA LYS 4 5.541 1.079 -7.330 38 1HB LYS 4 2HB LYS 4 4.971 2.095 -9.694 39 2HB LYS 4 3HB LYS 4 6.609 1.542 -9.339 40 1HG LYS 4 2HG LYS 4 6.270 -0.525 -10.491 41 2HG LYS 4 3HG LYS 4 4.529 -0.272 -10.581 42 1HD LYS 4 2HD LYS 4 5.586 0.196 -12.755 43 2HD LYS 4 3HD LYS 4 4.891 1.667 -12.073 44 1HE LYS 4 2HE LYS 4 7.038 2.464 -11.369 45 2HE LYS 4 3HE LYS 4 7.794 0.902 -11.687 46 1HZ LYS 4 1HZ LYS 4 8.221 1.599 -13.727 47 2HZ LYS 4 2HZ LYS 4 7.402 3.062 -13.451 48 3HZ LYS 4 3HZ LYS 4 6.557 1.709 -14.038 49 H GLY 5 H GLY 5 3.739 1.384 -6.190 50 1HA GLY 5 1HA GLY 5 1.110 0.827 -7.385 51 2HA GLY 5 2HA GLY 5 1.429 1.094 -5.675 52 H VAL 6 H VAL 6 -0.574 2.535 -6.297 53 HA VAL 6 HA VAL 6 0.465 5.266 -6.658 54 HB VAL 6 HB VAL 6 -2.123 4.448 -7.972 55 1HG1 VAL 6 1HG1 VAL 6 -0.148 6.690 -8.504 56 2HG1 VAL 6 2HG1 VAL 6 -1.713 6.472 -9.286 57 3HG1 VAL 6 3HG1 VAL 6 -1.635 6.857 -7.569 58 1HG2 VAL 6 1HG2 VAL 6 0.691 4.223 -9.044 59 2HG2 VAL 6 2HG2 VAL 6 -0.604 3.029 -9.110 60 3HG2 VAL 6 3HG2 VAL 6 -0.680 4.474 -10.119 61 H VAL 7 H VAL 7 -0.484 6.756 -5.388 62 HA VAL 7 HA VAL 7 -2.168 5.850 -3.227 63 HB VAL 7 HB VAL 7 -1.297 8.675 -3.892 64 1HG1 VAL 7 1HG1 VAL 7 -2.388 7.301 -1.432 65 2HG1 VAL 7 2HG1 VAL 7 -1.478 8.808 -1.322 66 3HG1 VAL 7 3HG1 VAL 7 -2.990 8.753 -2.232 67 1HG2 VAL 7 1HG2 VAL 7 0.076 6.531 -2.238 68 2HG2 VAL 7 2HG2 VAL 7 0.673 7.236 -3.740 69 3HG2 VAL 7 3HG2 VAL 7 0.562 8.225 -2.287 70 H LEU 8 H LEU 8 -4.223 6.757 -2.687 71 HA LEU 8 HA LEU 8 -5.702 7.887 -4.989 72 1HB LEU 8 2HB LEU 8 -6.775 5.921 -2.952 73 2HB LEU 8 3HB LEU 8 -7.646 6.579 -4.337 74 HG LEU 8 HG LEU 8 -5.100 4.943 -4.558 75 1HD1 LEU 8 1HD1 LEU 8 -6.697 3.173 -5.436 76 2HD1 LEU 8 2HD1 LEU 8 -6.806 3.480 -3.701 77 3HD1 LEU 8 3HD1 LEU 8 -8.016 4.154 -4.792 78 1HD2 LEU 8 1HD2 LEU 8 -7.085 6.090 -6.530 79 2HD2 LEU 8 2HD2 LEU 8 -5.333 6.279 -6.508 80 3HD2 LEU 8 3HD2 LEU 8 -6.045 4.731 -6.956 81 H SER 9 H SER 9 -5.572 7.519 -1.459 82 HA SER 9 HA SER 9 -6.224 10.286 -1.048 83 1HB SER 9 2HB SER 9 -8.283 9.470 0.439 84 2HB SER 9 3HB SER 9 -8.478 9.903 -1.256 85 HG SER 9 HG SER 9 -7.715 7.398 -1.218 86 H TYR 10 H TYR 10 -5.207 10.910 0.744 87 HA TYR 10 HA TYR 10 -4.391 8.856 2.695 88 1HB TYR 10 2HB TYR 10 -2.475 9.994 1.908 89 2HB TYR 10 3HB TYR 10 -3.280 11.560 1.949 90 HD1 TYR 10 HD1 TYR 10 -2.482 12.961 3.613 91 HD2 TYR 10 HD2 TYR 10 -2.754 8.746 4.397 92 HE1 TYR 10 HE1 TYR 10 -1.649 13.337 5.918 93 HE2 TYR 10 HE2 TYR 10 -1.922 9.121 6.703 94 HH TYR 10 HH TYR 10 -1.074 12.398 7.841 95 H ARG 11 H ARG 11 -5.448 8.760 4.570 96 HA ARG 11 HA ARG 11 -7.294 10.893 5.307 97 1HB ARG 11 2HB ARG 11 -7.649 8.279 5.431 98 2HB ARG 11 3HB ARG 11 -6.858 8.459 6.994 99 1HG ARG 11 2HG ARG 11 -8.522 10.201 7.614 100 2HG ARG 11 3HG ARG 11 -9.334 9.951 6.067 101 1HD ARG 11 2HD ARG 11 -9.072 8.016 8.372 102 2HD ARG 11 3HD ARG 11 -10.547 8.612 7.614 103 HE ARG 11 HE ARG 11 -8.671 6.683 6.377 104 1HH1 ARG 11 1HH2 ARG 11 -11.743 6.700 7.509 105 2HH1 ARG 11 2HH2 ARG 11 -12.534 6.286 6.024 106 1HH2 ARG 11 1HH1 ARG 11 -9.710 6.795 4.073 107 2HH2 ARG 11 2HH1 ARG 11 -11.382 6.343 4.077 108 H ARG 12 H ARG 12 -6.445 12.582 6.328 109 HA ARG 12 HA ARG 12 -4.208 12.245 8.181 110 1HB ARG 12 2HB ARG 12 -4.438 14.113 6.403 111 2HB ARG 12 3HB ARG 12 -5.583 14.845 7.526 112 1HG ARG 12 2HG ARG 12 -3.835 14.752 9.310 113 2HG ARG 12 3HG ARG 12 -2.693 14.132 8.117 114 1HD ARG 12 2HD ARG 12 -3.018 16.176 6.759 115 2HD ARG 12 3HD ARG 12 -4.132 16.799 7.973 116 HE ARG 12 HE ARG 12 -1.828 16.246 9.368 117 1HH1 ARG 12 1HH1 ARG 12 -2.729 19.032 9.229 118 2HH1 ARG 12 2HH1 ARG 12 -1.478 19.823 8.330 119 1HH2 ARG 12 1HH2 ARG 12 -0.180 16.873 7.043 120 2HH2 ARG 12 2HH2 ARG 12 -0.034 18.599 7.087 121 H SER 13 H SER 13 -6.087 10.929 9.374 122 HA SER 13 HA SER 13 -7.406 10.730 11.232 123 1HB SER 13 2HB SER 13 -5.958 11.465 12.798 124 2HB SER 13 3HB SER 13 -5.447 12.828 11.813 125 HG SER 13 HG SER 13 -7.087 12.807 13.903 126 H LYS 14 H LYS 14 -7.445 14.272 11.260 127 HA LYS 14 HA LYS 14 -9.143 15.796 11.055 128 1HB LYS 14 2HB LYS 14 -10.588 13.704 9.413 129 2HB LYS 14 3HB LYS 14 -10.792 15.455 9.355 130 1HG LYS 14 2HG LYS 14 -8.282 15.535 8.727 131 2HG LYS 14 3HG LYS 14 -8.449 13.812 8.394 132 1HD LYS 14 2HD LYS 14 -10.129 16.008 7.142 133 2HD LYS 14 3HD LYS 14 -8.798 15.164 6.349 134 1HE LYS 14 2HE LYS 14 -10.226 13.026 7.123 135 2HE LYS 14 3HE LYS 14 -11.542 14.193 6.993 136 1HZ LYS 14 1HZ LYS 14 -9.988 14.590 4.761 137 2HZ LYS 14 2HZ LYS 14 -11.499 13.818 4.825 138 3HZ LYS 14 3HZ LYS 14 -10.071 12.904 4.931 139 H GLU 15 H GLU 15 -11.844 15.676 11.103 140 HA GLU 15 HA GLU 15 -12.480 15.188 13.774 141 1HB GLU 15 2HB GLU 15 -14.877 15.270 12.989 142 2HB GLU 15 3HB GLU 15 -13.891 16.639 12.477 143 1HG GLU 15 2HG GLU 15 -14.097 14.222 10.704 144 2HG GLU 15 3HG GLU 15 -15.415 15.388 10.722 145 H ASN 16 H ASN 16 -14.548 13.697 14.240 146 HA ASN 16 HA ASN 16 -15.117 11.540 14.808 147 1HB ASN 16 2HB ASN 16 -15.973 11.869 12.406 148 2HB ASN 16 3HB ASN 16 -14.600 10.877 11.911 149 1HD2 ASN 16 2HD2 ASN 16 -17.508 10.838 14.007 150 2HD2 ASN 16 1HD2 ASN 16 -17.675 9.148 14.004 151 H GLN 17 H GLN 17 -13.427 10.920 16.137 152 HA GLN 17 HA GLN 17 -10.860 10.260 15.660 153 1HB GLN 17 2HB GLN 17 -12.124 10.007 17.852 154 2HB GLN 17 3HB GLN 17 -12.617 8.413 17.279 155 1HG GLN 17 2HG GLN 17 -10.675 7.844 18.408 156 2HG GLN 17 3HG GLN 17 -10.020 8.146 16.800 157 1HE2 GLN 17 2HE2 GLN 17 -8.873 8.538 19.655 158 2HE2 GLN 17 1HE2 GLN 17 -8.273 10.125 19.622 159 H HIS 18 H HIS 18 -9.697 8.814 14.570 160 HA HIS 18 HA HIS 18 -10.497 6.188 13.884 161 1HB HIS 18 2HB HIS 18 -12.005 7.623 12.370 162 2HB HIS 18 3HB HIS 18 -10.529 8.064 11.515 163 HD1 HIS 18 HD1 HIS 18 -12.355 6.595 9.766 164 HD2 HIS 18 HD2 HIS 18 -9.832 4.532 12.368 165 HE1 HIS 18 HE1 HIS 18 -12.137 4.247 8.846 166 H ASN 19 H ASN 19 -8.339 8.371 14.535 167 HA ASN 19 HA ASN 19 -6.111 8.684 14.271 168 1HB ASN 19 2HB ASN 19 -4.770 6.758 14.266 169 2HB ASN 19 3HB ASN 19 -6.290 6.205 14.959 170 1HD2 ASN 19 2HD2 ASN 19 -4.596 6.386 11.775 171 2HD2 ASN 19 1HD2 ASN 19 -5.273 4.950 11.175 172 H ASN 20 H ASN 20 -4.219 8.473 12.659 173 HA ASN 20 HA ASN 20 -5.182 9.467 10.118 174 1HB ASN 20 2HB ASN 20 -2.810 9.888 9.643 175 2HB ASN 20 3HB ASN 20 -3.255 10.518 11.228 176 1HD2 ASN 20 2HD2 ASN 20 -1.047 8.470 9.592 177 2HD2 ASN 20 1HD2 ASN 20 -0.369 7.726 10.960 178 H VAL 21 H VAL 21 -5.790 8.103 8.563 179 HA VAL 21 HA VAL 21 -4.374 5.521 8.297 180 HB VAL 21 HB VAL 21 -7.058 6.280 7.119 181 1HG1 VAL 21 1HG1 VAL 21 -5.418 3.760 7.302 182 2HG1 VAL 21 2HG1 VAL 21 -7.175 3.667 7.187 183 3HG1 VAL 21 3HG1 VAL 21 -6.247 4.443 5.903 184 1HG2 VAL 21 1HG2 VAL 21 -8.118 5.208 8.962 185 2HG2 VAL 21 2HG2 VAL 21 -6.600 4.520 9.537 186 3HG2 VAL 21 3HG2 VAL 21 -6.902 6.251 9.697 187 H MET 22 H MET 22 -4.260 4.728 5.971 188 HA MET 22 HA MET 22 -3.969 6.867 3.994 189 1HB MET 22 2HB MET 22 -1.777 6.745 5.133 190 2HB MET 22 3HB MET 22 -1.687 5.023 4.760 191 1HG MET 22 2HG MET 22 -1.215 5.388 2.548 192 2HG MET 22 3HG MET 22 -2.218 6.836 2.465 193 1HE MET 22 1HE MET 22 -0.433 8.052 1.007 194 2HE MET 22 2HE MET 22 0.465 6.536 1.041 195 3HE MET 22 3HE MET 22 1.297 8.053 1.376 196 H ILE 23 H ILE 23 -4.885 6.179 2.172 197 HA ILE 23 HA ILE 23 -5.214 3.293 1.730 198 HB ILE 23 HB ILE 23 -6.502 5.703 0.429 199 1HG1 ILE 23 2HG1 ILE 23 -7.665 3.461 2.116 200 2HG1 ILE 23 3HG1 ILE 23 -7.230 5.048 2.750 201 1HG2 ILE 23 1HG2 ILE 23 -6.719 2.745 -0.180 202 2HG2 ILE 23 2HG2 ILE 23 -7.955 3.908 -0.662 203 3HG2 ILE 23 3HG2 ILE 23 -6.314 4.050 -1.295 204 1HD1 ILE 23 1HD1 ILE 23 -8.793 6.082 1.088 205 2HD1 ILE 23 2HD1 ILE 23 -9.296 4.462 0.611 206 3HD1 ILE 23 3HD1 ILE 23 -9.605 5.036 2.249 207 H ILE 24 H ILE 24 -4.108 2.212 0.247 208 HA ILE 24 HA ILE 24 -2.690 3.699 -1.879 209 HB ILE 24 HB ILE 24 -1.561 1.529 -0.089 210 1HG1 ILE 24 2HG1 ILE 24 -0.527 4.321 -0.664 211 2HG1 ILE 24 3HG1 ILE 24 -1.553 3.938 0.720 212 1HG2 ILE 24 1HG2 ILE 24 -0.780 1.015 -2.284 213 2HG2 ILE 24 2HG2 ILE 24 -0.544 2.720 -2.678 214 3HG2 ILE 24 3HG2 ILE 24 0.523 1.925 -1.521 215 1HD1 ILE 24 1HD1 ILE 24 1.054 2.507 0.144 216 2HD1 ILE 24 2HD1 ILE 24 0.932 3.905 1.211 217 3HD1 ILE 24 3HD1 ILE 24 0.085 2.415 1.613 218 H LYS 25 H LYS 25 -2.108 2.342 -3.716 219 HA LYS 25 HA LYS 25 -3.662 -0.151 -3.944 220 1HB LYS 25 2HB LYS 25 -5.000 1.730 -4.882 221 2HB LYS 25 3HB LYS 25 -3.686 2.066 -6.008 222 1HG LYS 25 2HG LYS 25 -3.927 -0.108 -7.044 223 2HG LYS 25 3HG LYS 25 -5.088 -0.617 -5.816 224 1HD LYS 25 2HD LYS 25 -6.780 0.771 -6.648 225 2HD LYS 25 3HD LYS 25 -5.639 1.842 -7.460 226 1HE LYS 25 2HE LYS 25 -5.247 0.281 -9.207 227 2HE LYS 25 3HE LYS 25 -5.983 -1.041 -8.299 228 1HZ LYS 25 1HZ LYS 25 -7.330 1.293 -9.525 229 2HZ LYS 25 2HZ LYS 25 -8.095 0.285 -8.392 230 3HZ LYS 25 3HZ LYS 25 -7.566 -0.349 -9.878 231 HA PRO 26 HA PRO 26 0.602 -0.900 -5.401 232 1HB PRO 26 2HB PRO 26 0.018 -3.718 -5.286 233 2HB PRO 26 3HB PRO 26 1.092 -2.775 -4.248 234 1HG PRO 26 2HG PRO 26 -1.440 -3.874 -3.608 235 2HG PRO 26 3HG PRO 26 -0.381 -2.896 -2.588 236 1HD PRO 26 2HD PRO 26 -2.877 -2.123 -3.799 237 2HD PRO 26 3HD PRO 26 -1.829 -1.164 -2.740 238 H LEU 27 H LEU 27 -0.480 0.037 -7.354 239 HA LEU 27 HA LEU 27 -1.058 0.010 -9.543 240 1HB LEU 27 2HB LEU 27 1.244 -1.112 -9.411 241 2HB LEU 27 3HB LEU 27 0.389 -2.619 -9.687 242 HG LEU 27 HG LEU 27 -0.638 -1.579 -11.743 243 1HD1 LEU 27 1HD1 LEU 27 1.019 0.692 -10.736 244 2HD1 LEU 27 2HD1 LEU 27 0.950 0.456 -12.482 245 3HD1 LEU 27 3HD1 LEU 27 -0.535 0.721 -11.571 246 1HD2 LEU 27 1HD2 LEU 27 1.422 -1.741 -13.098 247 2HD2 LEU 27 2HD2 LEU 27 2.397 -1.620 -11.631 248 3HD2 LEU 27 3HD2 LEU 27 1.364 -3.028 -11.891 249 H ASP 28 H ASP 28 -1.069 -3.251 -10.356 250 HA ASP 28 HA ASP 28 -3.911 -3.228 -10.719 251 1HB ASP 28 2HB ASP 28 -3.535 -5.638 -11.474 252 2HB ASP 28 3HB ASP 28 -2.748 -4.372 -12.413 253 H VAL 29 H VAL 29 -2.437 -6.171 -9.499 254 HA VAL 29 HA VAL 29 -3.071 -7.559 -7.785 255 HB VAL 29 HB VAL 29 -3.355 -4.862 -6.428 256 1HG1 VAL 29 1HG1 VAL 29 -4.569 -6.005 -4.869 257 2HG1 VAL 29 2HG1 VAL 29 -4.071 -7.577 -5.491 258 3HG1 VAL 29 3HG1 VAL 29 -3.009 -6.677 -4.404 259 1HG2 VAL 29 1HG2 VAL 29 -1.237 -5.646 -5.326 260 2HG2 VAL 29 2HG2 VAL 29 -1.259 -7.055 -6.383 261 3HG2 VAL 29 3HG2 VAL 29 -1.082 -5.440 -7.071 262 H ASN 30 H ASN 30 -4.874 -7.488 -9.623 263 HA ASN 30 HA ASN 30 -7.475 -6.707 -8.561 264 1HB ASN 30 2HB ASN 30 -8.222 -7.563 -10.852 265 2HB ASN 30 3HB ASN 30 -7.190 -6.142 -10.836 266 1HD2 ASN 30 2HD2 ASN 30 -5.503 -6.255 -12.302 267 2HD2 ASN 30 1HD2 ASN 30 -4.779 -7.687 -12.853 268 H SER 31 H SER 31 -6.394 -8.646 -6.991 269 HA SER 31 HA SER 31 -8.335 -10.778 -7.251 270 1HB SER 31 2HB SER 31 -6.794 -11.939 -8.560 271 2HB SER 31 3HB SER 31 -5.409 -11.234 -7.733 272 HG SER 31 HG SER 31 -5.865 -13.456 -7.170 273 H ARG 32 H ARG 32 -9.092 -11.134 -5.265 274 HA ARG 32 HA ARG 32 -8.006 -9.965 -2.962 275 1HB ARG 32 2HB ARG 32 -10.355 -10.767 -3.110 276 2HB ARG 32 3HB ARG 32 -9.771 -12.430 -3.097 277 1HG ARG 32 2HG ARG 32 -8.595 -11.866 -0.901 278 2HG ARG 32 3HG ARG 32 -9.525 -10.369 -0.893 279 1HD ARG 32 2HD ARG 32 -10.546 -13.203 -0.748 280 2HD ARG 32 3HD ARG 32 -10.805 -11.891 0.398 281 HE ARG 32 HE ARG 32 -12.090 -10.835 -1.580 282 1HH1 ARG 32 1HH2 ARG 32 -12.704 -13.673 0.048 283 2HH1 ARG 32 2HH2 ARG 32 -13.819 -14.328 -1.104 284 1HH2 ARG 32 1HH1 ARG 32 -13.155 -11.913 -3.509 285 2HH2 ARG 32 2HH1 ARG 32 -14.075 -13.328 -3.122 286 H GLU 33 H GLU 33 -7.424 -13.013 -4.565 287 HA GLU 33 HA GLU 33 -6.027 -14.340 -2.489 288 1HB GLU 33 2HB GLU 33 -6.842 -15.287 -4.753 289 2HB GLU 33 3HB GLU 33 -5.343 -14.633 -5.414 290 1HG GLU 33 2HG GLU 33 -4.153 -15.882 -3.504 291 2HG GLU 33 3HG GLU 33 -5.674 -16.745 -3.279 292 H GLU 34 H GLU 34 -4.820 -12.388 -5.228 293 HA GLU 34 HA GLU 34 -2.100 -12.431 -4.399 294 1HB GLU 34 2HB GLU 34 -2.767 -11.861 -6.706 295 2HB GLU 34 3HB GLU 34 -3.558 -10.402 -6.119 296 1HG GLU 34 2HG GLU 34 -1.297 -9.920 -7.012 297 2HG GLU 34 3HG GLU 34 -1.418 -9.535 -5.300 298 H ALA 35 H ALA 35 -4.656 -9.969 -4.100 299 HA ALA 35 HA ALA 35 -3.223 -8.085 -2.621 300 1HB ALA 35 1HB ALA 35 -6.164 -8.646 -2.200 301 2HB ALA 35 2HB ALA 35 -5.322 -7.100 -2.102 302 3HB ALA 35 3HB ALA 35 -5.566 -7.874 -3.668 303 H SER 36 H SER 36 -5.246 -10.800 -1.501 304 HA SER 36 HA SER 36 -4.834 -10.423 1.272 305 1HB SER 36 2HB SER 36 -5.586 -12.737 1.521 306 2HB SER 36 3HB SER 36 -6.610 -11.893 0.364 307 HG SER 36 HG SER 36 -5.262 -12.822 -1.286 308 H LYS 37 H LYS 37 -2.991 -12.068 -1.211 309 HA LYS 37 HA LYS 37 -1.280 -13.562 0.471 310 1HB LYS 37 2HB LYS 37 -1.578 -14.062 -1.910 311 2HB LYS 37 3HB LYS 37 -0.800 -12.539 -2.335 312 1HG LYS 37 2HG LYS 37 1.264 -13.283 -1.184 313 2HG LYS 37 3HG LYS 37 0.484 -14.816 -0.803 314 1HD LYS 37 2HD LYS 37 0.390 -15.472 -3.074 315 2HD LYS 37 3HD LYS 37 0.675 -13.829 -3.646 316 1HE LYS 37 2HE LYS 37 2.712 -15.426 -2.069 317 2HE LYS 37 3HE LYS 37 2.683 -15.349 -3.830 318 1HZ LYS 37 1HZ LYS 37 2.760 -12.917 -2.148 319 2HZ LYS 37 2HZ LYS 37 3.107 -13.063 -3.804 320 3HZ LYS 37 3HZ LYS 37 4.171 -13.708 -2.652 321 H LEU 38 H LEU 38 -0.474 -10.588 -1.381 322 HA LEU 38 HA LEU 38 1.932 -10.239 0.162 323 1HB LEU 38 2HB LEU 38 2.530 -8.665 -1.390 324 2HB LEU 38 3HB LEU 38 1.340 -9.546 -2.337 325 HG LEU 38 HG LEU 38 0.817 -6.996 -0.772 326 1HD1 LEU 38 1HD1 LEU 38 0.812 -5.857 -2.831 327 2HD1 LEU 38 2HD1 LEU 38 2.190 -6.946 -2.980 328 3HD1 LEU 38 3HD1 LEU 38 0.656 -7.347 -3.760 329 1HD2 LEU 38 1HD2 LEU 38 -1.033 -8.301 -2.765 330 2HD2 LEU 38 2HD2 LEU 38 -1.080 -8.753 -1.063 331 3HD2 LEU 38 3HD2 LEU 38 -1.413 -7.090 -1.541 332 H ILE 39 H ILE 39 -1.109 -9.841 1.109 333 HA ILE 39 HA ILE 39 -1.380 -7.261 2.120 334 HB ILE 39 HB ILE 39 -3.052 -9.231 2.156 335 1HG1 ILE 39 2HG1 ILE 39 -2.805 -7.537 4.661 336 2HG1 ILE 39 3HG1 ILE 39 -3.451 -6.954 3.127 337 1HG2 ILE 39 1HG2 ILE 39 -1.915 -9.683 4.913 338 2HG2 ILE 39 2HG2 ILE 39 -3.081 -10.664 4.031 339 3HG2 ILE 39 3HG2 ILE 39 -1.391 -10.646 3.532 340 1HD1 ILE 39 1HD1 ILE 39 -5.284 -7.657 4.612 341 2HD1 ILE 39 2HD1 ILE 39 -5.196 -8.713 3.203 342 3HD1 ILE 39 3HD1 ILE 39 -4.565 -9.260 4.756 343 H GLY 40 H GLY 40 0.041 -6.157 3.320 344 1HA GLY 40 1HA GLY 40 1.066 -5.766 5.459 345 2HA GLY 40 2HA GLY 40 1.301 -7.501 5.625 346 H ARG 41 H ARG 41 2.008 -6.265 2.511 347 HA ARG 41 HA ARG 41 4.771 -6.984 2.696 348 1HB ARG 41 2HB ARG 41 3.297 -7.006 0.599 349 2HB ARG 41 3HB ARG 41 3.527 -5.261 0.543 350 1HG ARG 41 2HG ARG 41 5.197 -6.301 -0.880 351 2HG ARG 41 3HG ARG 41 6.009 -5.644 0.538 352 1HD ARG 41 2HD ARG 41 6.483 -7.728 1.404 353 2HD ARG 41 3HD ARG 41 5.050 -8.467 0.694 354 HE ARG 41 HE ARG 41 7.244 -7.647 -1.091 355 1HH1 ARG 41 1HH2 ARG 41 6.026 -10.206 0.836 356 2HH1 ARG 41 2HH2 ARG 41 6.311 -11.436 -0.349 357 1HH2 ARG 41 1HH1 ARG 41 7.336 -9.207 -2.799 358 2HH2 ARG 41 2HH1 ARG 41 7.047 -10.869 -2.411 359 H LEU 42 H LEU 42 6.601 -5.542 2.419 360 HA LEU 42 HA LEU 42 6.296 -3.091 3.952 361 1HB LEU 42 2HB LEU 42 8.199 -4.526 4.432 362 2HB LEU 42 3HB LEU 42 8.729 -4.437 2.753 363 HG LEU 42 HG LEU 42 9.205 -2.072 2.951 364 1HD1 LEU 42 1HD1 LEU 42 8.921 -1.054 5.333 365 2HD1 LEU 42 2HD1 LEU 42 7.497 -1.177 4.299 366 3HD1 LEU 42 3HD1 LEU 42 7.759 -2.359 5.581 367 1HD2 LEU 42 1HD2 LEU 42 10.934 -3.619 3.819 368 2HD2 LEU 42 2HD2 LEU 42 10.936 -2.095 4.706 369 3HD2 LEU 42 3HD2 LEU 42 10.202 -3.530 5.421 370 H VAL 43 H VAL 43 5.468 -1.419 2.852 371 HA VAL 43 HA VAL 43 6.156 -0.934 0.054 372 HB VAL 43 HB VAL 43 4.534 0.909 0.233 373 1HG1 VAL 43 1HG1 VAL 43 3.587 -1.697 1.471 374 2HG1 VAL 43 2HG1 VAL 43 2.541 -0.483 0.732 375 3HG1 VAL 43 3HG1 VAL 43 3.709 -1.353 -0.255 376 1HG2 VAL 43 1HG2 VAL 43 4.669 1.804 2.385 377 2HG2 VAL 43 2HG2 VAL 43 3.207 0.829 2.524 378 3HG2 VAL 43 3HG2 VAL 43 4.741 0.219 3.152 379 H LEU 44 H LEU 44 8.080 -0.040 -0.320 380 HA LEU 44 HA LEU 44 9.015 2.122 1.468 381 1HB LEU 44 2HB LEU 44 10.469 0.026 1.057 382 2HB LEU 44 3HB LEU 44 10.730 0.692 -0.556 383 HG LEU 44 HG LEU 44 11.241 2.248 1.998 384 1HD1 LEU 44 1HD1 LEU 44 13.575 1.741 1.756 385 2HD1 LEU 44 2HD1 LEU 44 12.720 0.201 1.685 386 3HD1 LEU 44 3HD1 LEU 44 13.305 0.951 0.203 387 1HD2 LEU 44 1HD2 LEU 44 11.618 2.734 -0.944 388 2HD2 LEU 44 2HD2 LEU 44 11.020 3.833 0.300 389 3HD2 LEU 44 3HD2 LEU 44 12.743 3.473 0.195 390 H TRP 45 H TRP 45 8.020 3.841 0.630 391 HA TRP 45 HA TRP 45 8.189 4.427 -2.242 392 1HB TRP 45 2HB TRP 45 5.993 4.696 -1.469 393 2HB TRP 45 3HB TRP 45 6.510 5.408 0.052 394 HD1 TRP 45 HD1 TRP 45 7.082 6.414 -3.670 395 HE1 TRP 45 HE1 TRP 45 6.500 8.923 -3.899 396 HE3 TRP 45 HE3 TRP 45 5.729 7.465 1.145 397 HZ2 TRP 45 HZ2 TRP 45 5.620 11.078 -2.265 398 HZ3 TRP 45 HZ3 TRP 45 5.025 9.756 1.776 399 HH2 TRP 45 HH2 TRP 45 4.969 11.561 0.080 400 H LYS 46 H LYS 46 9.836 5.614 -2.924 401 HA LYS 46 HA LYS 46 11.387 7.256 -1.090 402 1HB LYS 46 2HB LYS 46 12.690 5.987 -2.624 403 2HB LYS 46 3HB LYS 46 11.709 6.497 -3.998 404 1HG LYS 46 2HG LYS 46 12.549 8.745 -3.875 405 2HG LYS 46 3HG LYS 46 13.306 8.443 -2.312 406 1HD LYS 46 2HD LYS 46 14.865 6.860 -3.337 407 2HD LYS 46 3HD LYS 46 14.072 7.060 -4.901 408 1HE LYS 46 2HE LYS 46 15.953 8.499 -5.005 409 2HE LYS 46 3HE LYS 46 14.597 9.567 -4.646 410 1HZ LYS 46 1HZ LYS 46 16.666 9.842 -3.243 411 2HZ LYS 46 2HZ LYS 46 16.251 8.366 -2.509 412 3HZ LYS 46 3HZ LYS 46 15.197 9.696 -2.406 413 H SER 47 H SER 47 10.312 9.099 -0.568 414 HA SER 47 HA SER 47 8.678 10.576 -2.342 415 1HB SER 47 2HB SER 47 9.210 10.642 0.372 416 2HB SER 47 3HB SER 47 9.872 12.171 -0.201 417 HG SER 47 HG SER 47 7.906 12.837 -0.500 418 HA PRO 48 HA PRO 48 11.485 13.220 -4.482 419 1HB PRO 48 2HB PRO 48 10.427 15.792 -3.720 420 2HB PRO 48 3HB PRO 48 10.117 14.868 -5.198 421 1HG PRO 48 2HG PRO 48 8.279 15.373 -3.194 422 2HG PRO 48 3HG PRO 48 8.140 14.118 -4.436 423 1HD PRO 48 2HD PRO 48 8.904 13.855 -1.570 424 2HD PRO 48 3HD PRO 48 8.102 12.686 -2.641 425 H SER 49 H SER 49 10.868 14.941 -1.405 426 HA SER 49 HA SER 49 13.422 16.201 -1.320 427 1HB SER 49 2HB SER 49 11.350 15.726 0.833 428 2HB SER 49 3HB SER 49 12.784 16.727 1.045 429 HG SER 49 HG SER 49 11.524 18.218 0.246 430 H GLY 50 H GLY 50 13.805 13.431 -1.772 431 1HA GLY 50 1HA GLY 50 15.079 11.652 -1.088 432 2HA GLY 50 2HA GLY 50 15.915 12.814 -0.069 433 H LYS 51 H LYS 51 12.709 12.869 0.812 434 HA LYS 51 HA LYS 51 13.239 11.515 3.287 435 1HB LYS 51 2HB LYS 51 11.759 13.502 3.136 436 2HB LYS 51 3HB LYS 51 10.606 12.549 2.203 437 1HG LYS 51 2HG LYS 51 9.878 11.397 4.033 438 2HG LYS 51 3HG LYS 51 11.489 11.303 4.742 439 1HD LYS 51 2HD LYS 51 10.069 12.704 6.149 440 2HD LYS 51 3HD LYS 51 11.309 13.702 5.390 441 1HE LYS 51 2HE LYS 51 9.258 13.771 3.534 442 2HE LYS 51 3HE LYS 51 8.393 13.782 5.070 443 1HZ LYS 51 1HZ LYS 51 8.913 16.018 4.441 444 2HZ LYS 51 2HZ LYS 51 10.554 15.636 4.236 445 3HZ LYS 51 3HZ LYS 51 9.859 15.605 5.787 446 H ILE 52 H ILE 52 13.534 9.367 3.083 447 HA ILE 52 HA ILE 52 11.799 7.751 1.408 448 HB ILE 52 HB ILE 52 13.925 6.832 3.348 449 1HG1 ILE 52 2HG1 ILE 52 15.007 8.397 1.875 450 2HG1 ILE 52 3HG1 ILE 52 15.374 6.792 1.249 451 1HG2 ILE 52 1HG2 ILE 52 12.532 5.604 0.960 452 2HG2 ILE 52 2HG2 ILE 52 14.020 4.945 1.636 453 3HG2 ILE 52 3HG2 ILE 52 12.560 5.010 2.620 454 1HD1 ILE 52 1HD1 ILE 52 13.358 8.787 0.191 455 2HD1 ILE 52 2HD1 ILE 52 14.735 8.084 -0.654 456 3HD1 ILE 52 3HD1 ILE 52 13.331 7.087 -0.279 457 H LEU 53 H LEU 53 9.805 7.387 2.139 458 HA LEU 53 HA LEU 53 9.427 6.825 5.014 459 1HB LEU 53 2HB LEU 53 7.360 7.549 2.922 460 2HB LEU 53 3HB LEU 53 7.085 7.387 4.657 461 HG LEU 53 HG LEU 53 9.168 9.298 3.601 462 1HD1 LEU 53 1HD1 LEU 53 7.242 10.068 2.452 463 2HD1 LEU 53 2HD1 LEU 53 6.182 9.704 3.814 464 3HD1 LEU 53 3HD1 LEU 53 7.313 11.056 3.912 465 1HD2 LEU 53 1HD2 LEU 53 7.507 9.083 6.132 466 2HD2 LEU 53 2HD2 LEU 53 9.251 8.859 5.978 467 3HD2 LEU 53 3HD2 LEU 53 8.547 10.460 5.756 468 H LYS 54 H LYS 54 8.449 4.951 5.691 469 HA LYS 54 HA LYS 54 7.518 3.006 3.738 470 1HB LYS 54 2HB LYS 54 9.074 1.390 5.232 471 2HB LYS 54 3HB LYS 54 9.602 2.108 3.715 472 1HG LYS 54 2HG LYS 54 10.702 3.921 4.874 473 2HG LYS 54 3HG LYS 54 10.022 3.405 6.418 474 1HD LYS 54 2HD LYS 54 11.247 1.154 5.945 475 2HD LYS 54 3HD LYS 54 12.179 2.091 4.775 476 1HE LYS 54 2HE LYS 54 13.494 2.379 6.663 477 2HE LYS 54 3HE LYS 54 12.427 3.773 6.815 478 1HZ LYS 54 1HZ LYS 54 12.157 2.892 8.865 479 2HZ LYS 54 2HZ LYS 54 12.497 1.304 8.367 480 3HZ LYS 54 3HZ LYS 54 10.969 1.980 8.068 481 H GLY 55 H GLY 55 5.624 2.342 4.503 482 1HA GLY 55 1HA GLY 55 5.272 2.011 7.430 483 2HA GLY 55 2HA GLY 55 3.970 2.427 6.316 484 H LYS 56 H LYS 56 2.766 0.569 7.030 485 HA LYS 56 HA LYS 56 3.474 -1.829 5.537 486 1HB LYS 56 2HB LYS 56 4.563 -2.306 7.661 487 2HB LYS 56 3HB LYS 56 3.087 -1.903 8.544 488 1HG LYS 56 2HG LYS 56 1.904 -3.766 7.543 489 2HG LYS 56 3HG LYS 56 3.255 -4.105 6.462 490 1HD LYS 56 2HD LYS 56 3.701 -4.113 9.435 491 2HD LYS 56 3HD LYS 56 2.964 -5.516 8.662 492 1HE LYS 56 2HE LYS 56 4.887 -5.620 7.080 493 2HE LYS 56 3HE LYS 56 5.637 -4.277 7.942 494 1HZ LYS 56 1HZ LYS 56 6.316 -5.623 9.552 495 2HZ LYS 56 2HZ LYS 56 5.897 -6.925 8.544 496 3HZ LYS 56 3HZ LYS 56 4.795 -6.357 9.705 497 H ILE 57 H ILE 57 1.745 -2.887 4.800 498 HA ILE 57 HA ILE 57 -0.830 -1.707 4.943 499 HB ILE 57 HB ILE 57 -0.038 -4.481 4.014 500 1HG1 ILE 57 2HG1 ILE 57 -0.449 -2.037 2.293 501 2HG1 ILE 57 3HG1 ILE 57 1.125 -2.400 2.996 502 1HG2 ILE 57 1HG2 ILE 57 -2.582 -3.539 4.398 503 2HG2 ILE 57 2HG2 ILE 57 -2.276 -3.032 2.738 504 3HG2 ILE 57 3HG2 ILE 57 -2.144 -4.733 3.177 505 1HD1 ILE 57 1HD1 ILE 57 1.521 -3.954 1.422 506 2HD1 ILE 57 2HD1 ILE 57 0.016 -4.786 1.813 507 3HD1 ILE 57 3HD1 ILE 57 0.019 -3.478 0.632 508 H VAL 58 H VAL 58 -2.623 -2.241 6.132 509 HA VAL 58 HA VAL 58 -2.170 -4.084 8.394 510 HB VAL 58 HB VAL 58 -4.315 -2.793 9.224 511 1HG1 VAL 58 1HG1 VAL 58 -2.409 -2.529 10.532 512 2HG1 VAL 58 2HG1 VAL 58 -1.436 -1.941 9.183 513 3HG1 VAL 58 3HG1 VAL 58 -2.635 -0.885 9.934 514 1HG2 VAL 58 1HG2 VAL 58 -4.477 -1.623 6.935 515 2HG2 VAL 58 2HG2 VAL 58 -4.569 -0.584 8.354 516 3HG2 VAL 58 3HG2 VAL 58 -3.069 -0.689 7.435 517 H ARG 59 H ARG 59 -4.611 -3.143 5.978 518 HA ARG 59 HA ARG 59 -5.613 -5.889 5.962 519 1HB ARG 59 2HB ARG 59 -7.562 -3.612 6.336 520 2HB ARG 59 3HB ARG 59 -7.879 -5.343 6.424 521 1HG ARG 59 2HG ARG 59 -6.383 -5.473 8.427 522 2HG ARG 59 3HG ARG 59 -6.207 -3.719 8.367 523 1HD ARG 59 2HD ARG 59 -7.974 -4.492 9.976 524 2HD ARG 59 3HD ARG 59 -8.574 -3.399 8.732 525 HE ARG 59 HE ARG 59 -9.834 -5.155 7.856 526 1HH1 ARG 59 1HH1 ARG 59 -9.074 -6.056 10.903 527 2HH1 ARG 59 2HH1 ARG 59 -9.038 -7.766 10.635 528 1HH2 ARG 59 1HH2 ARG 59 -9.104 -7.493 7.178 529 2HH2 ARG 59 2HH2 ARG 59 -9.051 -8.580 8.525 530 H VAL 60 H VAL 60 -7.049 -6.311 4.153 531 HA VAL 60 HA VAL 60 -6.321 -4.698 1.819 532 HB VAL 60 HB VAL 60 -5.982 -7.108 1.662 533 1HG1 VAL 60 1HG1 VAL 60 -7.644 -8.707 2.044 534 2HG1 VAL 60 2HG1 VAL 60 -8.014 -7.511 3.284 535 3HG1 VAL 60 3HG1 VAL 60 -8.954 -7.554 1.791 536 1HG2 VAL 60 1HG2 VAL 60 -6.818 -5.696 -0.315 537 2HG2 VAL 60 2HG2 VAL 60 -7.020 -7.441 -0.453 538 3HG2 VAL 60 3HG2 VAL 60 -8.397 -6.425 -0.026 539 H HIS 61 H HIS 61 -7.629 -3.143 1.162 540 HA HIS 61 HA HIS 61 -10.510 -3.299 1.775 541 1HB HIS 61 2HB HIS 61 -9.069 -1.265 2.443 542 2HB HIS 61 3HB HIS 61 -9.048 -0.874 0.723 543 HD1 HIS 61 HD1 HIS 61 -11.547 -1.488 3.535 544 HD2 HIS 61 HD2 HIS 61 -11.359 0.392 -0.183 545 HE1 HIS 61 HE1 HIS 61 -13.737 -0.250 3.244 546 H GLY 62 H GLY 62 -11.841 -3.891 0.190 547 1HA GLY 62 1HA GLY 62 -12.818 -3.598 -1.963 548 2HA GLY 62 2HA GLY 62 -11.249 -3.093 -2.580 549 H THR 63 H THR 63 -10.987 -5.787 -0.565 550 HA THR 63 HA THR 63 -10.333 -7.940 -0.951 551 HB THR 63 HB THR 63 -11.873 -9.290 -2.309 552 HG1 THR 63 HG1 THR 63 -12.315 -6.912 -3.491 553 1HG2 THR 63 1HG2 THR 63 -13.920 -8.754 -1.057 554 2HG2 THR 63 2HG2 THR 63 -12.500 -8.631 -0.020 555 3HG2 THR 63 3HG2 THR 63 -13.262 -7.170 -0.650 556 H LYS 64 H LYS 64 -11.353 -7.580 -4.295 557 HA LYS 64 HA LYS 64 -8.681 -8.348 -5.180 558 1HB LYS 64 2HB LYS 64 -11.000 -7.808 -7.014 559 2HB LYS 64 3HB LYS 64 -9.686 -8.968 -7.198 560 1HG LYS 64 2HG LYS 64 -10.611 -10.301 -5.326 561 2HG LYS 64 3HG LYS 64 -11.933 -9.145 -5.164 562 1HD LYS 64 2HD LYS 64 -12.666 -9.637 -7.463 563 2HD LYS 64 3HD LYS 64 -11.330 -10.775 -7.651 564 1HE LYS 64 2HE LYS 64 -12.253 -12.047 -5.665 565 2HE LYS 64 3HE LYS 64 -13.673 -11.001 -5.741 566 1HZ LYS 64 1HZ LYS 64 -12.818 -13.115 -7.553 567 2HZ LYS 64 2HZ LYS 64 -13.531 -11.748 -8.265 568 3HZ LYS 64 3HZ LYS 64 -14.383 -12.643 -7.098 569 H GLY 65 H GLY 65 -8.436 -5.808 -4.162 570 1HA GLY 65 1HA GLY 65 -7.817 -4.291 -6.544 571 2HA GLY 65 2HA GLY 65 -9.032 -3.594 -5.490 572 H ALA 66 H ALA 66 -8.246 -2.069 -4.393 573 HA ALA 66 HA ALA 66 -5.511 -1.623 -3.816 574 1HB ALA 66 1HB ALA 66 -7.042 0.224 -4.094 575 2HB ALA 66 2HB ALA 66 -8.025 -0.338 -2.741 576 3HB ALA 66 3HB ALA 66 -6.393 0.270 -2.456 577 H VAL 67 H VAL 67 -5.077 -0.810 -1.425 578 HA VAL 67 HA VAL 67 -5.990 -2.737 0.581 579 HB VAL 67 HB VAL 67 -3.787 -3.477 1.166 580 1HG1 VAL 67 1HG1 VAL 67 -4.820 -4.640 -0.763 581 2HG1 VAL 67 2HG1 VAL 67 -4.028 -3.507 -1.860 582 3HG1 VAL 67 3HG1 VAL 67 -3.062 -4.616 -0.889 583 1HG2 VAL 67 1HG2 VAL 67 -2.942 -1.249 -0.666 584 2HG2 VAL 67 2HG2 VAL 67 -2.341 -1.661 0.941 585 3HG2 VAL 67 3HG2 VAL 67 -1.872 -2.636 -0.457 586 H ARG 68 H ARG 68 -5.541 -2.036 2.747 587 HA ARG 68 HA ARG 68 -5.362 0.868 2.963 588 1HB ARG 68 2HB ARG 68 -7.100 -0.409 4.202 589 2HB ARG 68 3HB ARG 68 -5.823 -1.206 5.122 590 1HG ARG 68 2HG ARG 68 -5.109 0.874 6.095 591 2HG ARG 68 3HG ARG 68 -6.130 1.806 5.001 592 1HD ARG 68 2HD ARG 68 -7.408 -0.246 6.768 593 2HD ARG 68 3HD ARG 68 -6.925 1.294 7.472 594 HE ARG 68 HE ARG 68 -8.399 1.680 5.053 595 1HH1 ARG 68 1HH1 ARG 68 -8.467 1.717 8.465 596 2HH1 ARG 68 2HH1 ARG 68 -10.180 1.942 8.588 597 1HH2 ARG 68 1HH2 ARG 68 -10.728 1.607 5.176 598 2HH2 ARG 68 2HH2 ARG 68 -11.460 1.878 6.722 599 H ALA 69 H ALA 69 -3.967 1.914 4.499 600 HA ALA 69 HA ALA 69 -1.646 0.463 5.495 601 1HB ALA 69 1HB ALA 69 -0.114 2.208 4.418 602 2HB ALA 69 2HB ALA 69 -0.769 0.970 3.346 603 3HB ALA 69 3HB ALA 69 -1.472 2.587 3.357 604 H ARG 70 H ARG 70 -0.229 1.955 6.810 605 HA ARG 70 HA ARG 70 -1.534 4.397 7.755 606 1HB ARG 70 2HB ARG 70 -2.361 2.300 9.062 607 2HB ARG 70 3HB ARG 70 -0.763 2.337 9.806 608 1HG ARG 70 2HG ARG 70 -1.372 4.924 10.106 609 2HG ARG 70 3HG ARG 70 -3.015 4.286 10.046 610 1HD ARG 70 2HD ARG 70 -2.231 2.567 11.789 611 2HD ARG 70 3HD ARG 70 -0.818 3.594 11.996 612 HE ARG 70 HE ARG 70 -3.261 5.084 12.199 613 1HH1 ARG 70 1HH2 ARG 70 -2.175 2.414 13.942 614 2HH1 ARG 70 2HH2 ARG 70 -2.134 3.207 15.482 615 1HH2 ARG 70 1HH1 ARG 70 -2.750 6.358 14.171 616 2HH2 ARG 70 2HH1 ARG 70 -2.459 5.440 15.610 617 H PHE 71 H PHE 71 0.030 5.867 7.759 618 HA PHE 71 HA PHE 71 2.812 5.038 8.280 619 1HB PHE 71 2HB PHE 71 1.623 7.514 7.011 620 2HB PHE 71 3HB PHE 71 3.337 7.349 7.394 621 HD1 PHE 71 HD1 PHE 71 4.781 6.334 5.847 622 HD2 PHE 71 HD2 PHE 71 0.556 5.584 5.593 623 HE1 PHE 71 HE1 PHE 71 5.129 5.081 3.738 624 HE2 PHE 71 HE2 PHE 71 0.906 4.329 3.485 625 HZ PHE 71 HZ PHE 71 3.193 4.078 2.556 626 H GLU 72 H GLU 72 3.545 5.299 10.284 627 HA GLU 72 HA GLU 72 2.158 6.976 12.187 628 1HB GLU 72 2HB GLU 72 4.561 5.158 12.330 629 2HB GLU 72 3HB GLU 72 4.105 6.190 13.687 630 1HG GLU 72 2HG GLU 72 2.246 4.201 12.346 631 2HG GLU 72 3HG GLU 72 3.128 3.891 13.838 632 H LYS 73 H LYS 73 4.819 7.325 10.035 633 HA LYS 73 HA LYS 73 6.129 9.444 11.497 634 1HB LYS 73 2HB LYS 73 6.477 8.561 8.623 635 2HB LYS 73 3HB LYS 73 7.571 9.585 9.542 636 1HG LYS 73 2HG LYS 73 8.303 7.826 10.896 637 2HG LYS 73 3HG LYS 73 6.859 6.859 10.588 638 1HD LYS 73 2HD LYS 73 7.627 6.108 8.536 639 2HD LYS 73 3HD LYS 73 8.618 7.542 8.263 640 1HE LYS 73 2HE LYS 73 10.198 6.779 10.003 641 2HE LYS 73 3HE LYS 73 9.212 5.341 10.266 642 1HZ LYS 73 1HZ LYS 73 10.747 6.093 7.851 643 2HZ LYS 73 2HZ LYS 73 9.524 4.913 7.808 644 3HZ LYS 73 3HZ LYS 73 10.891 4.687 8.792 645 H GLY 74 H GLY 74 5.042 9.525 8.134 646 1HA GLY 74 1HA GLY 74 3.009 11.115 7.817 647 2HA GLY 74 2HA GLY 74 4.117 12.291 8.522 648 H LEU 75 H LEU 75 3.175 12.828 6.042 649 HA LEU 75 HA LEU 75 5.196 11.938 4.102 650 1HB LEU 75 2HB LEU 75 3.068 13.835 3.269 651 2HB LEU 75 3HB LEU 75 3.689 12.407 2.447 652 HG LEU 75 HG LEU 75 1.900 12.307 4.894 653 1HD1 LEU 75 1HD1 LEU 75 1.260 11.997 1.946 654 2HD1 LEU 75 2HD1 LEU 75 0.153 11.586 3.256 655 3HD1 LEU 75 3HD1 LEU 75 0.664 13.256 3.025 656 1HD2 LEU 75 1HD2 LEU 75 3.528 10.370 4.261 657 2HD2 LEU 75 2HD2 LEU 75 1.836 9.972 4.557 658 3HD2 LEU 75 3HD2 LEU 75 2.434 10.102 2.905 659 HA PRO 76 HA PRO 76 7.269 15.834 4.007 660 1HB PRO 76 2HB PRO 76 7.227 16.223 1.147 661 2HB PRO 76 3HB PRO 76 8.533 15.556 2.138 662 1HG PRO 76 2HG PRO 76 7.044 14.141 0.303 663 2HG PRO 76 3HG PRO 76 7.982 13.430 1.625 664 1HD PRO 76 2HD PRO 76 5.031 13.885 1.436 665 2HD PRO 76 3HD PRO 76 5.929 12.586 2.258 666 H GLY 77 H GLY 77 4.175 15.805 3.759 667 1HA GLY 77 1HA GLY 77 2.770 17.683 4.143 668 2HA GLY 77 2HA GLY 77 3.895 18.684 3.229 669 H GLN 78 H GLN 78 3.626 18.921 1.051 670 HA GLN 78 HA GLN 78 1.164 17.833 -0.097 671 1HB GLN 78 2HB GLN 78 1.880 20.290 -0.258 672 2HB GLN 78 3HB GLN 78 3.080 19.752 -1.429 673 1HG GLN 78 2HG GLN 78 0.112 19.177 -1.672 674 2HG GLN 78 3HG GLN 78 0.910 20.540 -2.451 675 1HE2 GLN 78 2HE2 GLN 78 3.241 19.497 -3.453 676 2HE2 GLN 78 1HE2 GLN 78 2.926 18.214 -4.520 677 H ALA 79 H ALA 79 1.387 15.825 -0.886 678 HA ALA 79 HA ALA 79 3.143 15.350 -3.116 679 1HB ALA 79 1HB ALA 79 4.488 13.600 -2.178 680 2HB ALA 79 2HB ALA 79 4.637 14.986 -1.098 681 3HB ALA 79 3HB ALA 79 3.589 13.637 -0.662 682 H LEU 80 H LEU 80 0.288 15.265 -2.194 683 HA LEU 80 HA LEU 80 -0.575 12.544 -2.164 684 1HB LEU 80 2HB LEU 80 -1.810 14.655 -1.331 685 2HB LEU 80 3HB LEU 80 -2.269 14.888 -3.017 686 HG LEU 80 HG LEU 80 -2.939 12.304 -2.802 687 1HD1 LEU 80 1HD1 LEU 80 -3.829 11.791 -0.592 688 2HD1 LEU 80 2HD1 LEU 80 -2.121 12.202 -0.439 689 3HD1 LEU 80 3HD1 LEU 80 -3.356 13.382 0.003 690 1HD2 LEU 80 1HD2 LEU 80 -4.457 14.794 -2.044 691 2HD2 LEU 80 2HD2 LEU 80 -4.627 13.783 -3.481 692 3HD2 LEU 80 3HD2 LEU 80 -5.244 13.219 -1.929 693 H GLY 81 H GLY 81 0.242 11.420 -3.913 694 1HA GLY 81 1HA GLY 81 -0.966 10.811 -6.119 695 2HA GLY 81 2HA GLY 81 -0.400 12.396 -6.621 696 H ASP 82 H ASP 82 1.962 11.287 -4.584 697 HA ASP 82 HA ASP 82 3.771 10.746 -6.733 698 1HB ASP 82 2HB ASP 82 4.259 11.726 -4.366 699 2HB ASP 82 3HB ASP 82 4.304 10.042 -3.856 700 H TYR 83 H TYR 83 4.454 8.814 -7.521 701 HA TYR 83 HA TYR 83 2.852 6.499 -7.072 702 1HB TYR 83 2HB TYR 83 5.143 7.260 -8.774 703 2HB TYR 83 3HB TYR 83 5.092 5.554 -8.338 704 HD1 TYR 83 HD1 TYR 83 2.404 8.078 -9.047 705 HD2 TYR 83 HD2 TYR 83 4.202 4.327 -10.116 706 HE1 TYR 83 HE1 TYR 83 0.636 7.711 -10.744 707 HE2 TYR 83 HE2 TYR 83 2.430 3.958 -11.809 708 HH TYR 83 HH TYR 83 0.854 5.321 -13.140 709 H VAL 84 H VAL 84 3.096 4.902 -5.614 710 HA VAL 84 HA VAL 84 5.397 5.034 -3.807 711 HB VAL 84 HB VAL 84 4.163 3.637 -2.333 712 1HG1 VAL 84 1HG1 VAL 84 1.996 5.260 -3.683 713 2HG1 VAL 84 2HG1 VAL 84 2.175 4.891 -1.967 714 3HG1 VAL 84 3HG1 VAL 84 3.286 6.014 -2.745 715 1HG2 VAL 84 1HG2 VAL 84 2.844 2.786 -4.849 716 2HG2 VAL 84 2HG2 VAL 84 3.230 1.849 -3.408 717 3HG2 VAL 84 3HG2 VAL 84 1.791 2.869 -3.437 718 H GLU 85 H GLU 85 6.483 2.962 -3.236 719 HA GLU 85 HA GLU 85 6.389 0.906 -5.311 720 1HB GLU 85 2HB GLU 85 8.990 2.303 -4.640 721 2HB GLU 85 3HB GLU 85 8.730 1.056 -5.858 722 1HG GLU 85 2HG GLU 85 7.120 2.643 -7.000 723 2HG GLU 85 3HG GLU 85 7.668 3.891 -5.880 724 H ILE 86 H ILE 86 7.706 -0.961 -4.754 725 HA ILE 86 HA ILE 86 7.931 -1.247 -1.816 726 HB ILE 86 HB ILE 86 7.947 -3.659 -3.566 727 1HG1 ILE 86 2HG1 ILE 86 6.193 -2.261 -4.632 728 2HG1 ILE 86 3HG1 ILE 86 5.500 -3.656 -3.812 729 1HG2 ILE 86 1HG2 ILE 86 6.462 -2.963 -1.015 730 2HG2 ILE 86 2HG2 ILE 86 6.620 -4.569 -1.726 731 3HG2 ILE 86 3HG2 ILE 86 8.041 -3.747 -1.081 732 1HD1 ILE 86 1HD1 ILE 86 4.414 -1.299 -3.454 733 2HD1 ILE 86 2HD1 ILE 86 4.627 -2.366 -2.068 734 3HD1 ILE 86 3HD1 ILE 86 5.757 -1.043 -2.342 735 H VAL 87 H VAL 87 10.032 -0.054 -2.183 736 HA VAL 87 HA VAL 87 12.088 -1.863 -3.305 737 HB VAL 87 HB VAL 87 12.910 0.865 -2.553 738 1HG1 VAL 87 1HG1 VAL 87 13.097 -0.758 -5.114 739 2HG1 VAL 87 2HG1 VAL 87 14.008 0.704 -4.739 740 3HG1 VAL 87 3HG1 VAL 87 14.297 -0.774 -3.821 741 1HG2 VAL 87 1HG2 VAL 87 11.825 1.686 -4.769 742 2HG2 VAL 87 2HG2 VAL 87 10.722 0.325 -4.567 743 3HG2 VAL 87 3HG2 VAL 87 10.798 1.588 -3.342 Start of MODEL 3 1 1H MET 1 1HT MET 1 12.882 -8.117 -8.459 2 2H MET 1 2HT MET 1 13.270 -6.680 -7.641 3 3H MET 1 3HT MET 1 11.907 -6.742 -8.654 4 HA MET 1 HA MET 1 10.938 -8.448 -7.158 5 1HB MET 1 2HB MET 1 13.204 -7.563 -5.346 6 2HB MET 1 3HB MET 1 11.931 -8.715 -4.948 7 1HG MET 1 2HG MET 1 12.766 -10.332 -6.471 8 2HG MET 1 3HG MET 1 13.788 -9.151 -7.290 9 1HE MET 1 1HE MET 1 15.582 -12.074 -4.921 10 2HE MET 1 2HE MET 1 15.133 -11.764 -6.595 11 3HE MET 1 3HE MET 1 13.878 -12.074 -5.397 12 H ARG 2 H ARG 2 11.328 -5.424 -7.895 13 HA ARG 2 HA ARG 2 9.990 -4.275 -5.532 14 1HB ARG 2 2HB ARG 2 10.573 -2.077 -6.524 15 2HB ARG 2 3HB ARG 2 11.993 -3.070 -6.200 16 1HG ARG 2 2HG ARG 2 12.138 -3.724 -8.542 17 2HG ARG 2 3HG ARG 2 10.626 -2.889 -8.905 18 1HD ARG 2 2HD ARG 2 11.714 -0.749 -8.130 19 2HD ARG 2 3HD ARG 2 13.233 -1.632 -8.005 20 HE ARG 2 HE ARG 2 11.898 -1.777 -10.597 21 1HH1 ARG 2 1HH1 ARG 2 13.751 0.386 -8.695 22 2HH1 ARG 2 2HH1 ARG 2 14.877 0.774 -9.953 23 1HH2 ARG 2 1HH2 ARG 2 13.572 -1.522 -12.197 24 2HH2 ARG 2 2HH2 ARG 2 14.775 -0.304 -11.930 25 H ILE 3 H ILE 3 8.378 -2.517 -6.099 26 HA ILE 3 HA ILE 3 6.827 -3.066 -8.528 27 HB ILE 3 HB ILE 3 5.263 -2.898 -5.989 28 1HG1 ILE 3 2HG1 ILE 3 6.786 -5.359 -6.909 29 2HG1 ILE 3 3HG1 ILE 3 6.928 -4.549 -5.351 30 1HG2 ILE 3 1HG2 ILE 3 3.619 -3.909 -7.260 31 2HG2 ILE 3 2HG2 ILE 3 4.537 -3.145 -8.557 32 3HG2 ILE 3 3HG2 ILE 3 4.776 -4.853 -8.198 33 1HD1 ILE 3 1HD1 ILE 3 4.776 -6.354 -6.365 34 2HD1 ILE 3 2HD1 ILE 3 5.489 -6.251 -4.756 35 3HD1 ILE 3 3HD1 ILE 3 4.304 -5.053 -5.272 36 H LYS 4 H LYS 4 4.772 -1.483 -8.387 37 HA LYS 4 HA LYS 4 5.542 1.082 -7.188 38 1HB LYS 4 2HB LYS 4 4.949 2.181 -9.444 39 2HB LYS 4 3HB LYS 4 6.527 1.413 -9.305 40 1HG LYS 4 2HG LYS 4 4.273 -0.305 -10.239 41 2HG LYS 4 3HG LYS 4 4.858 0.920 -11.363 42 1HD LYS 4 2HD LYS 4 6.856 -0.810 -9.940 43 2HD LYS 4 3HD LYS 4 5.972 -1.480 -11.309 44 1HE LYS 4 2HE LYS 4 6.664 0.746 -12.510 45 2HE LYS 4 3HE LYS 4 7.899 0.829 -11.251 46 1HZ LYS 4 1HZ LYS 4 7.510 -1.248 -13.314 47 2HZ LYS 4 2HZ LYS 4 8.402 -1.567 -11.903 48 3HZ LYS 4 3HZ LYS 4 8.903 -0.344 -12.972 49 H GLY 5 H GLY 5 3.835 1.320 -5.913 50 1HA GLY 5 1HA GLY 5 1.149 0.696 -6.860 51 2HA GLY 5 2HA GLY 5 1.598 1.146 -5.222 52 H VAL 6 H VAL 6 -0.522 2.391 -5.884 53 HA VAL 6 HA VAL 6 0.320 5.148 -6.399 54 HB VAL 6 HB VAL 6 -2.130 4.072 -7.798 55 1HG1 VAL 6 1HG1 VAL 6 -0.350 6.415 -8.501 56 2HG1 VAL 6 2HG1 VAL 6 -2.001 6.104 -9.038 57 3HG1 VAL 6 3HG1 VAL 6 -1.690 6.565 -7.365 58 1HG2 VAL 6 1HG2 VAL 6 0.727 4.179 -8.814 59 2HG2 VAL 6 2HG2 VAL 6 -0.331 2.768 -8.742 60 3HG2 VAL 6 3HG2 VAL 6 -0.675 4.072 -9.878 61 H VAL 7 H VAL 7 -0.753 6.592 -5.181 62 HA VAL 7 HA VAL 7 -2.428 5.648 -3.050 63 HB VAL 7 HB VAL 7 -1.588 8.430 -3.903 64 1HG1 VAL 7 1HG1 VAL 7 -2.291 8.897 -1.437 65 2HG1 VAL 7 2HG1 VAL 7 -3.550 8.823 -2.668 66 3HG1 VAL 7 3HG1 VAL 7 -3.273 7.444 -1.605 67 1HG2 VAL 7 1HG2 VAL 7 -0.149 8.213 -1.853 68 2HG2 VAL 7 2HG2 VAL 7 -0.657 6.530 -1.727 69 3HG2 VAL 7 3HG2 VAL 7 0.270 7.069 -3.127 70 H LEU 8 H LEU 8 -4.601 5.901 -2.756 71 HA LEU 8 HA LEU 8 -6.139 6.837 -5.097 72 1HB LEU 8 2HB LEU 8 -7.058 5.037 -2.845 73 2HB LEU 8 3HB LEU 8 -7.946 5.420 -4.320 74 HG LEU 8 HG LEU 8 -5.332 3.888 -4.128 75 1HD1 LEU 8 1HD1 LEU 8 -6.806 2.132 -5.250 76 2HD1 LEU 8 2HD1 LEU 8 -7.178 2.477 -3.562 77 3HD1 LEU 8 3HD1 LEU 8 -8.182 3.157 -4.843 78 1HD2 LEU 8 1HD2 LEU 8 -5.869 3.583 -6.664 79 2HD2 LEU 8 2HD2 LEU 8 -6.855 5.032 -6.472 80 3HD2 LEU 8 3HD2 LEU 8 -5.121 5.093 -6.148 81 H SER 9 H SER 9 -6.079 6.901 -1.531 82 HA SER 9 HA SER 9 -7.054 9.614 -1.500 83 1HB SER 9 2HB SER 9 -9.063 8.933 -0.028 84 2HB SER 9 3HB SER 9 -9.214 8.731 -1.770 85 HG SER 9 HG SER 9 -8.196 6.650 -0.171 86 H TYR 10 H TYR 10 -6.131 10.596 0.155 87 HA TYR 10 HA TYR 10 -5.074 8.982 2.380 88 1HB TYR 10 2HB TYR 10 -3.336 10.253 1.392 89 2HB TYR 10 3HB TYR 10 -4.353 11.685 1.249 90 HD1 TYR 10 HD1 TYR 10 -3.211 9.324 3.946 91 HD2 TYR 10 HD2 TYR 10 -3.970 13.390 2.783 92 HE1 TYR 10 HE1 TYR 10 -2.432 10.105 6.167 93 HE2 TYR 10 HE2 TYR 10 -3.192 14.169 5.006 94 HH TYR 10 HH TYR 10 -3.106 12.864 7.477 95 H ARG 11 H ARG 11 -6.789 8.783 3.786 96 HA ARG 11 HA ARG 11 -8.345 11.143 4.524 97 1HB ARG 11 2HB ARG 11 -9.278 8.751 4.200 98 2HB ARG 11 3HB ARG 11 -8.594 8.424 5.793 99 1HG ARG 11 2HG ARG 11 -9.854 10.435 6.659 100 2HG ARG 11 3HG ARG 11 -10.653 10.534 5.090 101 1HD ARG 11 2HD ARG 11 -10.733 8.169 6.984 102 2HD ARG 11 3HD ARG 11 -12.053 9.294 6.678 103 HE ARG 11 HE ARG 11 -11.112 8.050 4.265 104 1HH1 ARG 11 1HH2 ARG 11 -12.224 6.552 7.035 105 2HH1 ARG 11 2HH2 ARG 11 -13.654 5.874 6.331 106 1HH2 ARG 11 1HH1 ARG 11 -13.336 7.617 3.352 107 2HH2 ARG 11 2HH1 ARG 11 -14.281 6.475 4.248 108 H ARG 12 H ARG 12 -8.303 12.125 6.514 109 HA ARG 12 HA ARG 12 -5.972 11.481 8.204 110 1HB ARG 12 2HB ARG 12 -6.391 13.826 9.106 111 2HB ARG 12 3HB ARG 12 -5.847 13.726 7.433 112 1HG ARG 12 2HG ARG 12 -8.119 14.010 6.614 113 2HG ARG 12 3HG ARG 12 -8.759 13.944 8.255 114 1HD ARG 12 2HD ARG 12 -6.947 16.079 7.102 115 2HD ARG 12 3HD ARG 12 -8.635 16.270 7.567 116 HE ARG 12 HE ARG 12 -6.337 16.127 9.368 117 1HH1 ARG 12 1HH2 ARG 12 -8.857 18.011 9.286 118 2HH1 ARG 12 2HH2 ARG 12 -9.611 17.554 10.776 119 1HH2 ARG 12 1HH1 ARG 12 -7.721 14.678 11.159 120 2HH2 ARG 12 2HH1 ARG 12 -8.972 15.667 11.833 121 H SER 13 H SER 13 -7.680 9.672 8.828 122 HA SER 13 HA SER 13 -9.299 8.865 10.296 123 1HB SER 13 2HB SER 13 -7.168 9.002 11.597 124 2HB SER 13 3HB SER 13 -7.663 10.587 12.176 125 HG SER 13 HG SER 13 -8.186 8.529 13.432 126 H LYS 14 H LYS 14 -10.723 10.560 9.015 127 HA LYS 14 HA LYS 14 -11.641 12.948 9.872 128 1HB LYS 14 2HB LYS 14 -13.099 10.571 8.769 129 2HB LYS 14 3HB LYS 14 -14.015 11.992 9.275 130 1HG LYS 14 2HG LYS 14 -11.607 12.380 7.532 131 2HG LYS 14 3HG LYS 14 -13.103 11.804 6.799 132 1HD LYS 14 2HD LYS 14 -14.312 13.740 7.501 133 2HD LYS 14 3HD LYS 14 -13.022 14.239 8.595 134 1HE LYS 14 2HE LYS 14 -11.582 14.831 6.789 135 2HE LYS 14 3HE LYS 14 -12.598 14.001 5.610 136 1HZ LYS 14 1HZ LYS 14 -14.151 15.657 5.640 137 2HZ LYS 14 2HZ LYS 14 -12.746 16.571 5.917 138 3HZ LYS 14 3HZ LYS 14 -13.768 16.162 7.213 139 H GLU 15 H GLU 15 -13.630 10.179 10.830 140 HA GLU 15 HA GLU 15 -14.626 11.486 13.147 141 1HB GLU 15 2HB GLU 15 -14.711 8.628 12.174 142 2HB GLU 15 3HB GLU 15 -15.444 9.115 13.702 143 1HG GLU 15 2HG GLU 15 -16.953 10.612 12.619 144 2HG GLU 15 3HG GLU 15 -16.062 10.528 11.101 145 H ASN 16 H ASN 16 -13.247 8.278 13.457 146 HA ASN 16 HA ASN 16 -10.934 9.099 14.940 147 1HB ASN 16 2HB ASN 16 -12.529 9.556 16.695 148 2HB ASN 16 3HB ASN 16 -13.321 8.003 16.441 149 1HD2 ASN 16 2HD2 ASN 16 -9.778 8.406 16.408 150 2HD2 ASN 16 1HD2 ASN 16 -9.503 7.517 17.829 151 H GLN 17 H GLN 17 -9.668 7.680 13.860 152 HA GLN 17 HA GLN 17 -10.376 4.815 14.087 153 1HB GLN 17 2HB GLN 17 -10.507 5.803 11.733 154 2HB GLN 17 3HB GLN 17 -8.755 5.978 11.821 155 1HG GLN 17 2HG GLN 17 -9.080 3.863 10.798 156 2HG GLN 17 3HG GLN 17 -8.714 3.487 12.480 157 1HE2 GLN 17 2HE2 GLN 17 -10.567 2.896 13.900 158 2HE2 GLN 17 1HE2 GLN 17 -11.997 2.296 13.209 159 H HIS 18 H HIS 18 -7.805 7.246 13.963 160 HA HIS 18 HA HIS 18 -6.207 5.866 15.883 161 1HB HIS 18 2HB HIS 18 -5.883 4.740 13.449 162 2HB HIS 18 3HB HIS 18 -4.744 6.074 13.299 163 HD1 HIS 18 HD1 HIS 18 -2.526 4.958 13.663 164 HD2 HIS 18 HD2 HIS 18 -5.311 3.869 16.565 165 HE1 HIS 18 HE1 HIS 18 -1.274 3.574 15.373 166 H ASN 19 H ASN 19 -5.820 7.912 13.016 167 HA ASN 19 HA ASN 19 -5.809 10.373 14.129 168 1HB ASN 19 2HB ASN 19 -3.182 10.732 14.185 169 2HB ASN 19 3HB ASN 19 -4.045 10.170 15.610 170 1HD2 ASN 19 2HD2 ASN 19 -2.855 8.486 12.631 171 2HD2 ASN 19 1HD2 ASN 19 -2.031 7.273 13.483 172 H ASN 20 H ASN 20 -4.209 8.215 11.890 173 HA ASN 20 HA ASN 20 -4.721 10.023 9.685 174 1HB ASN 20 2HB ASN 20 -1.917 9.427 10.628 175 2HB ASN 20 3HB ASN 20 -2.261 9.873 8.957 176 1HD2 ASN 20 2HD2 ASN 20 -1.934 11.096 12.208 177 2HD2 ASN 20 1HD2 ASN 20 -2.251 12.721 11.840 178 H VAL 21 H VAL 21 -5.568 8.691 8.214 179 HA VAL 21 HA VAL 21 -4.532 5.927 7.996 180 HB VAL 21 HB VAL 21 -7.164 7.111 7.063 181 1HG1 VAL 21 1HG1 VAL 21 -6.696 5.362 5.548 182 2HG1 VAL 21 2HG1 VAL 21 -5.902 4.386 6.782 183 3HG1 VAL 21 3HG1 VAL 21 -7.654 4.570 6.797 184 1HG2 VAL 21 1HG2 VAL 21 -6.871 6.794 9.551 185 2HG2 VAL 21 2HG2 VAL 21 -8.155 5.808 8.853 186 3HG2 VAL 21 3HG2 VAL 21 -6.600 5.078 9.245 187 H MET 22 H MET 22 -4.193 5.041 5.870 188 HA MET 22 HA MET 22 -4.066 6.953 3.646 189 1HB MET 22 2HB MET 22 -1.851 6.961 4.888 190 2HB MET 22 3HB MET 22 -1.664 5.280 4.390 191 1HG MET 22 2HG MET 22 -1.730 5.887 2.051 192 2HG MET 22 3HG MET 22 -2.163 7.553 2.445 193 1HE MET 22 1HE MET 22 -0.728 9.339 2.807 194 2HE MET 22 2HE MET 22 0.897 9.315 3.486 195 3HE MET 22 3HE MET 22 -0.470 8.803 4.474 196 H ILE 23 H ILE 23 -5.135 5.988 2.047 197 HA ILE 23 HA ILE 23 -5.164 3.056 1.881 198 HB ILE 23 HB ILE 23 -6.772 5.034 0.247 199 1HG1 ILE 23 2HG1 ILE 23 -7.300 3.758 2.947 200 2HG1 ILE 23 3HG1 ILE 23 -7.358 5.470 2.530 201 1HG2 ILE 23 1HG2 ILE 23 -7.579 2.227 0.954 202 2HG2 ILE 23 2HG2 ILE 23 -8.016 3.191 -0.456 203 3HG2 ILE 23 3HG2 ILE 23 -6.409 2.478 -0.342 204 1HD1 ILE 23 1HD1 ILE 23 -9.354 3.311 1.966 205 2HD1 ILE 23 2HD1 ILE 23 -9.619 4.969 2.506 206 3HD1 ILE 23 3HD1 ILE 23 -9.217 4.643 0.819 207 H ILE 24 H ILE 24 -4.052 1.963 0.387 208 HA ILE 24 HA ILE 24 -3.044 3.401 -1.989 209 HB ILE 24 HB ILE 24 -1.464 1.638 -0.100 210 1HG1 ILE 24 2HG1 ILE 24 -0.900 4.422 -1.169 211 2HG1 ILE 24 3HG1 ILE 24 -1.707 4.119 0.369 212 1HG2 ILE 24 1HG2 ILE 24 -0.793 0.889 -2.252 213 2HG2 ILE 24 2HG2 ILE 24 -0.899 2.510 -2.940 214 3HG2 ILE 24 3HG2 ILE 24 0.401 2.112 -1.820 215 1HD1 ILE 24 1HD1 ILE 24 0.833 4.489 0.462 216 2HD1 ILE 24 2HD1 ILE 24 0.215 3.059 1.291 217 3HD1 ILE 24 3HD1 ILE 24 0.982 2.903 -0.290 218 H LYS 25 H LYS 25 -2.360 1.928 -3.730 219 HA LYS 25 HA LYS 25 -3.527 -0.766 -3.626 220 1HB LYS 25 2HB LYS 25 -5.322 0.594 -4.533 221 2HB LYS 25 3HB LYS 25 -4.225 1.327 -5.703 222 1HG LYS 25 2HG LYS 25 -3.877 -0.832 -6.788 223 2HG LYS 25 3HG LYS 25 -4.861 -1.637 -5.564 224 1HD LYS 25 2HD LYS 25 -6.784 -0.146 -6.264 225 2HD LYS 25 3HD LYS 25 -5.781 0.399 -7.610 226 1HE LYS 25 2HE LYS 25 -6.129 -2.547 -7.183 227 2HE LYS 25 3HE LYS 25 -7.453 -1.637 -7.911 228 1HZ LYS 25 1HZ LYS 25 -5.252 -0.721 -9.215 229 2HZ LYS 25 2HZ LYS 25 -6.345 -1.878 -9.807 230 3HZ LYS 25 3HZ LYS 25 -4.919 -2.375 -9.029 231 HA PRO 26 HA PRO 26 0.590 -1.050 -5.480 232 1HB PRO 26 2HB PRO 26 0.323 -3.914 -5.452 233 2HB PRO 26 3HB PRO 26 1.338 -2.896 -4.424 234 1HG PRO 26 2HG PRO 26 -1.010 -4.300 -3.710 235 2HG PRO 26 3HG PRO 26 -0.031 -3.228 -2.704 236 1HD PRO 26 2HD PRO 26 -2.654 -2.737 -3.814 237 2HD PRO 26 3HD PRO 26 -1.708 -1.708 -2.724 238 H LEU 27 H LEU 27 -0.184 -0.238 -7.499 239 HA LEU 27 HA LEU 27 -0.999 -0.305 -9.653 240 1HB LEU 27 2HB LEU 27 1.452 -1.312 -9.379 241 2HB LEU 27 3HB LEU 27 0.662 -2.734 -10.035 242 HG LEU 27 HG LEU 27 -0.321 -1.068 -11.802 243 1HD1 LEU 27 1HD1 LEU 27 0.814 0.958 -12.125 244 2HD1 LEU 27 2HD1 LEU 27 0.718 0.863 -10.368 245 3HD1 LEU 27 3HD1 LEU 27 2.215 0.434 -11.193 246 1HD2 LEU 27 1HD2 LEU 27 1.222 -2.806 -12.451 247 2HD2 LEU 27 2HD2 LEU 27 1.804 -1.300 -13.163 248 3HD2 LEU 27 3HD2 LEU 27 2.577 -1.949 -11.717 249 H ASP 28 H ASP 28 -0.745 -3.175 -10.980 250 HA ASP 28 HA ASP 28 -3.386 -3.730 -11.374 251 1HB ASP 28 2HB ASP 28 -2.645 -6.179 -11.641 252 2HB ASP 28 3HB ASP 28 -1.926 -4.968 -12.704 253 H VAL 29 H VAL 29 -1.863 -6.314 -9.559 254 HA VAL 29 HA VAL 29 -2.850 -7.634 -7.924 255 HB VAL 29 HB VAL 29 -2.841 -4.843 -6.731 256 1HG1 VAL 29 1HG1 VAL 29 -2.789 -6.495 -4.574 257 2HG1 VAL 29 2HG1 VAL 29 -4.264 -5.750 -5.183 258 3HG1 VAL 29 3HG1 VAL 29 -3.863 -7.407 -5.634 259 1HG2 VAL 29 1HG2 VAL 29 -0.926 -6.072 -5.425 260 2HG2 VAL 29 2HG2 VAL 29 -0.990 -7.217 -6.764 261 3HG2 VAL 29 3HG2 VAL 29 -0.621 -5.522 -7.073 262 H ASN 30 H ASN 30 -4.486 -7.059 -9.977 263 HA ASN 30 HA ASN 30 -7.015 -6.029 -9.081 264 1HB ASN 30 2HB ASN 30 -7.698 -6.930 -11.429 265 2HB ASN 30 3HB ASN 30 -6.641 -5.533 -11.318 266 1HD2 ASN 30 2HD2 ASN 30 -5.015 -8.440 -10.435 267 2HD2 ASN 30 1HD2 ASN 30 -4.225 -8.696 -11.913 268 H SER 31 H SER 31 -6.184 -8.132 -7.489 269 HA SER 31 HA SER 31 -8.462 -9.888 -7.690 270 1HB SER 31 2HB SER 31 -7.407 -11.910 -8.093 271 2HB SER 31 3HB SER 31 -6.468 -10.845 -9.132 272 HG SER 31 HG SER 31 -5.029 -11.991 -7.905 273 H ARG 32 H ARG 32 -9.179 -10.225 -5.683 274 HA ARG 32 HA ARG 32 -7.855 -9.221 -3.409 275 1HB ARG 32 2HB ARG 32 -10.357 -9.808 -3.707 276 2HB ARG 32 3HB ARG 32 -9.879 -11.448 -3.264 277 1HG ARG 32 2HG ARG 32 -8.927 -10.651 -1.163 278 2HG ARG 32 3HG ARG 32 -9.268 -8.980 -1.612 279 1HD ARG 32 2HD ARG 32 -11.738 -9.849 -1.853 280 2HD ARG 32 3HD ARG 32 -11.178 -11.150 -0.805 281 HE ARG 32 HE ARG 32 -10.401 -8.649 0.286 282 1HH1 ARG 32 1HH1 ARG 32 -13.455 -9.692 -0.742 283 2HH1 ARG 32 2HH1 ARG 32 -14.229 -9.494 0.793 284 1HH2 ARG 32 1HH2 ARG 32 -11.288 -8.789 2.485 285 2HH2 ARG 32 2HH2 ARG 32 -13.005 -8.976 2.618 286 H GLU 33 H GLU 33 -7.649 -12.233 -5.104 287 HA GLU 33 HA GLU 33 -6.519 -13.848 -3.065 288 1HB GLU 33 2HB GLU 33 -7.410 -14.632 -5.316 289 2HB GLU 33 3HB GLU 33 -5.908 -14.037 -6.024 290 1HG GLU 33 2HG GLU 33 -4.606 -15.511 -4.558 291 2HG GLU 33 3HG GLU 33 -6.085 -16.080 -3.787 292 H GLU 34 H GLU 34 -5.004 -11.997 -5.706 293 HA GLU 34 HA GLU 34 -2.332 -12.377 -4.814 294 1HB GLU 34 2HB GLU 34 -3.580 -10.282 -6.614 295 2HB GLU 34 3HB GLU 34 -1.847 -10.436 -6.353 296 1HG GLU 34 2HG GLU 34 -3.495 -12.801 -7.251 297 2HG GLU 34 3HG GLU 34 -2.889 -11.629 -8.417 298 H ALA 35 H ALA 35 -4.705 -9.780 -4.369 299 HA ALA 35 HA ALA 35 -3.074 -7.967 -2.970 300 1HB ALA 35 1HB ALA 35 -5.475 -7.686 -3.932 301 2HB ALA 35 2HB ALA 35 -6.002 -8.306 -2.367 302 3HB ALA 35 3HB ALA 35 -5.050 -6.823 -2.456 303 H SER 36 H SER 36 -5.503 -10.215 -1.626 304 HA SER 36 HA SER 36 -4.899 -9.920 1.068 305 1HB SER 36 2HB SER 36 -6.842 -11.186 0.161 306 2HB SER 36 3HB SER 36 -5.744 -12.476 -0.320 307 HG SER 36 HG SER 36 -5.277 -11.816 2.227 308 H LYS 37 H LYS 37 -3.090 -11.503 -1.420 309 HA LYS 37 HA LYS 37 -1.569 -13.261 0.228 310 1HB LYS 37 2HB LYS 37 -1.774 -12.670 -2.540 311 2HB LYS 37 3HB LYS 37 -0.085 -12.457 -2.091 312 1HG LYS 37 2HG LYS 37 -0.192 -14.746 -2.583 313 2HG LYS 37 3HG LYS 37 -0.391 -14.726 -0.832 314 1HD LYS 37 2HD LYS 37 -2.899 -14.680 -1.222 315 2HD LYS 37 3HD LYS 37 -2.560 -14.993 -2.926 316 1HE LYS 37 2HE LYS 37 -1.128 -16.981 -2.032 317 2HE LYS 37 3HE LYS 37 -2.060 -16.771 -0.549 318 1HZ LYS 37 1HZ LYS 37 -3.238 -17.148 -3.247 319 2HZ LYS 37 2HZ LYS 37 -4.086 -17.056 -1.778 320 3HZ LYS 37 3HZ LYS 37 -3.061 -18.376 -2.092 321 H LEU 38 H LEU 38 -0.494 -10.298 -1.465 322 HA LEU 38 HA LEU 38 1.797 -10.051 0.274 323 1HB LEU 38 2HB LEU 38 2.600 -8.568 -1.265 324 2HB LEU 38 3HB LEU 38 1.404 -9.353 -2.286 325 HG LEU 38 HG LEU 38 1.052 -6.738 -0.781 326 1HD1 LEU 38 1HD1 LEU 38 0.974 -5.714 -2.942 327 2HD1 LEU 38 2HD1 LEU 38 2.402 -6.750 -2.924 328 3HD1 LEU 38 3HD1 LEU 38 0.939 -7.281 -3.752 329 1HD2 LEU 38 1HD2 LEU 38 -1.138 -7.382 -0.747 330 2HD2 LEU 38 2HD2 LEU 38 -1.099 -6.958 -2.457 331 3HD2 LEU 38 3HD2 LEU 38 -0.889 -8.636 -1.961 332 H ILE 39 H ILE 39 -1.185 -9.625 1.124 333 HA ILE 39 HA ILE 39 -1.690 -7.042 1.922 334 HB ILE 39 HB ILE 39 -3.221 -8.971 2.230 335 1HG1 ILE 39 2HG1 ILE 39 -2.655 -7.521 4.839 336 2HG1 ILE 39 3HG1 ILE 39 -3.518 -6.800 3.480 337 1HG2 ILE 39 1HG2 ILE 39 -1.484 -9.596 4.637 338 2HG2 ILE 39 2HG2 ILE 39 -2.923 -10.472 4.116 339 3HG2 ILE 39 3HG2 ILE 39 -1.461 -10.513 3.131 340 1HD1 ILE 39 1HD1 ILE 39 -5.315 -7.625 4.676 341 2HD1 ILE 39 2HD1 ILE 39 -4.963 -9.036 3.682 342 3HD1 ILE 39 3HD1 ILE 39 -4.390 -8.964 5.348 343 H GLY 40 H GLY 40 0.837 -9.118 3.042 344 1HA GLY 40 1HA GLY 40 1.345 -7.360 5.366 345 2HA GLY 40 2HA GLY 40 1.945 -9.004 5.194 346 H ARG 41 H ARG 41 2.123 -7.041 2.356 347 HA ARG 41 HA ARG 41 4.976 -7.232 2.312 348 1HB ARG 41 2HB ARG 41 2.885 -6.371 0.476 349 2HB ARG 41 3HB ARG 41 4.295 -5.320 0.409 350 1HG ARG 41 2HG ARG 41 4.405 -8.345 0.219 351 2HG ARG 41 3HG ARG 41 4.446 -7.256 -1.168 352 1HD ARG 41 2HD ARG 41 6.707 -7.406 -0.871 353 2HD ARG 41 3HD ARG 41 6.418 -6.161 0.338 354 HE ARG 41 HE ARG 41 6.112 -8.786 1.441 355 1HH1 ARG 41 1HH2 ARG 41 8.785 -7.589 -0.188 356 2HH1 ARG 41 2HH2 ARG 41 9.862 -7.622 1.168 357 1HH2 ARG 41 1HH1 ARG 41 7.373 -8.336 3.475 358 2HH2 ARG 41 2HH1 ARG 41 9.065 -8.047 3.238 359 H LEU 42 H LEU 42 6.281 -5.183 1.763 360 HA LEU 42 HA LEU 42 5.582 -3.072 3.712 361 1HB LEU 42 2HB LEU 42 7.534 -4.546 4.326 362 2HB LEU 42 3HB LEU 42 8.367 -3.931 2.900 363 HG LEU 42 HG LEU 42 7.643 -1.581 3.984 364 1HD1 LEU 42 1HD1 LEU 42 7.852 -1.690 6.433 365 2HD1 LEU 42 2HD1 LEU 42 6.488 -2.666 5.890 366 3HD1 LEU 42 3HD1 LEU 42 8.001 -3.446 6.350 367 1HD2 LEU 42 1HD2 LEU 42 9.919 -1.765 5.265 368 2HD2 LEU 42 2HD2 LEU 42 10.014 -3.362 4.525 369 3HD2 LEU 42 3HD2 LEU 42 9.922 -1.923 3.509 370 H VAL 43 H VAL 43 5.202 -1.158 2.821 371 HA VAL 43 HA VAL 43 6.012 -0.635 0.057 372 HB VAL 43 HB VAL 43 4.540 1.260 0.143 373 1HG1 VAL 43 1HG1 VAL 43 2.422 0.193 0.797 374 2HG1 VAL 43 2HG1 VAL 43 3.463 -0.962 -0.035 375 3HG1 VAL 43 3HG1 VAL 43 3.307 -1.023 1.720 376 1HG2 VAL 43 1HG2 VAL 43 4.809 0.891 3.106 377 2HG2 VAL 43 2HG2 VAL 43 4.828 2.378 2.158 378 3HG2 VAL 43 3HG2 VAL 43 3.302 1.557 2.480 379 H LEU 44 H LEU 44 8.011 0.058 -0.242 380 HA LEU 44 HA LEU 44 9.192 1.895 1.735 381 1HB LEU 44 2HB LEU 44 10.310 -0.363 0.926 382 2HB LEU 44 3HB LEU 44 10.808 0.632 -0.444 383 HG LEU 44 HG LEU 44 11.476 2.338 1.499 384 1HD1 LEU 44 1HD1 LEU 44 11.915 -0.340 2.840 385 2HD1 LEU 44 2HD1 LEU 44 12.200 1.263 3.515 386 3HD1 LEU 44 3HD1 LEU 44 10.551 0.707 3.224 387 1HD2 LEU 44 1HD2 LEU 44 13.141 -0.103 0.790 388 2HD2 LEU 44 2HD2 LEU 44 13.009 1.357 -0.192 389 3HD2 LEU 44 3HD2 LEU 44 13.762 1.432 1.400 390 H TRP 45 H TRP 45 8.609 3.835 1.192 391 HA TRP 45 HA TRP 45 8.353 4.777 -1.537 392 1HB TRP 45 2HB TRP 45 6.956 5.378 0.586 393 2HB TRP 45 3HB TRP 45 8.277 6.473 0.952 394 HD1 TRP 45 HD1 TRP 45 5.844 5.732 -1.959 395 HE1 TRP 45 HE1 TRP 45 5.273 7.980 -3.109 396 HE3 TRP 45 HE3 TRP 45 8.900 8.862 0.673 397 HZ2 TRP 45 HZ2 TRP 45 6.040 10.731 -2.934 398 HZ3 TRP 45 HZ3 TRP 45 8.965 11.287 0.159 399 HH2 TRP 45 HH2 TRP 45 7.541 12.221 -1.640 400 H LYS 46 H LYS 46 10.241 5.048 -2.580 401 HA LYS 46 HA LYS 46 12.615 6.062 -1.252 402 1HB LYS 46 2HB LYS 46 12.698 4.278 -3.002 403 2HB LYS 46 3HB LYS 46 12.159 5.469 -4.184 404 1HG LYS 46 2HG LYS 46 14.139 6.768 -3.938 405 2HG LYS 46 3HG LYS 46 14.605 5.918 -2.465 406 1HD LYS 46 2HD LYS 46 15.160 3.936 -3.654 407 2HD LYS 46 3HD LYS 46 14.330 4.484 -5.111 408 1HE LYS 46 2HE LYS 46 16.823 4.688 -5.267 409 2HE LYS 46 3HE LYS 46 15.986 6.228 -5.465 410 1HZ LYS 46 1HZ LYS 46 16.861 7.030 -3.592 411 2HZ LYS 46 2HZ LYS 46 17.994 5.771 -3.725 412 3HZ LYS 46 3HZ LYS 46 16.627 5.588 -2.732 413 H SER 47 H SER 47 11.985 8.160 -0.640 414 HA SER 47 HA SER 47 10.896 10.090 -2.391 415 1HB SER 47 2HB SER 47 11.218 11.611 -0.639 416 2HB SER 47 3HB SER 47 11.089 10.076 0.200 417 HG SER 47 HG SER 47 13.484 11.393 -0.570 418 HA PRO 48 HA PRO 48 14.393 11.569 -4.625 419 1HB PRO 48 2HB PRO 48 13.949 14.386 -4.196 420 2HB PRO 48 3HB PRO 48 13.481 13.399 -5.591 421 1HG PRO 48 2HG PRO 48 11.729 14.537 -3.798 422 2HG PRO 48 3HG PRO 48 11.362 13.172 -4.863 423 1HD PRO 48 2HD PRO 48 12.018 13.156 -1.941 424 2HD PRO 48 3HD PRO 48 10.929 12.094 -2.864 425 H SER 49 H SER 49 14.062 13.584 -1.682 426 HA SER 49 HA SER 49 16.825 14.298 -1.569 427 1HB SER 49 2HB SER 49 16.197 14.960 0.823 428 2HB SER 49 3HB SER 49 15.319 15.761 -0.475 429 HG SER 49 HG SER 49 14.456 13.467 0.968 430 H GLY 50 H GLY 50 15.578 11.340 -1.303 431 1HA GLY 50 1HA GLY 50 16.716 9.398 -0.674 432 2HA GLY 50 2HA GLY 50 17.819 10.377 0.286 433 H LYS 51 H LYS 51 14.683 11.325 0.934 434 HA LYS 51 HA LYS 51 14.737 10.228 3.583 435 1HB LYS 51 2HB LYS 51 13.394 12.329 2.266 436 2HB LYS 51 3HB LYS 51 12.132 11.221 2.803 437 1HG LYS 51 2HG LYS 51 14.362 12.197 4.607 438 2HG LYS 51 3HG LYS 51 12.786 12.980 4.501 439 1HD LYS 51 2HD LYS 51 11.652 11.081 5.356 440 2HD LYS 51 3HD LYS 51 13.037 10.025 5.076 441 1HE LYS 51 2HE LYS 51 13.185 12.369 6.978 442 2HE LYS 51 3HE LYS 51 12.628 10.778 7.499 443 1HZ LYS 51 1HZ LYS 51 14.803 10.432 7.844 444 2HZ LYS 51 2HZ LYS 51 15.291 11.664 6.781 445 3HZ LYS 51 3HZ LYS 51 14.851 10.140 6.174 446 H ILE 52 H ILE 52 14.688 8.002 3.465 447 HA ILE 52 HA ILE 52 12.668 6.626 1.908 448 HB ILE 52 HB ILE 52 14.514 5.412 3.968 449 1HG1 ILE 52 2HG1 ILE 52 15.962 6.697 2.535 450 2HG1 ILE 52 3HG1 ILE 52 16.050 5.031 1.974 451 1HG2 ILE 52 1HG2 ILE 52 12.618 4.076 2.918 452 2HG2 ILE 52 2HG2 ILE 52 13.444 4.278 1.372 453 3HG2 ILE 52 3HG2 ILE 52 14.232 3.406 2.687 454 1HD1 ILE 52 1HD1 ILE 52 15.779 6.285 -0.015 455 2HD1 ILE 52 2HD1 ILE 52 14.154 5.696 0.330 456 3HD1 ILE 52 3HD1 ILE 52 14.590 7.360 0.719 457 H LEU 53 H LEU 53 10.631 6.554 2.600 458 HA LEU 53 HA LEU 53 10.083 6.532 5.496 459 1HB LEU 53 2HB LEU 53 8.125 6.832 3.204 460 2HB LEU 53 3HB LEU 53 7.806 7.104 4.918 461 HG LEU 53 HG LEU 53 9.783 8.677 3.230 462 1HD1 LEU 53 1HD1 LEU 53 8.112 10.525 3.709 463 2HD1 LEU 53 2HD1 LEU 53 7.555 9.277 2.594 464 3HD1 LEU 53 3HD1 LEU 53 7.006 9.271 4.270 465 1HD2 LEU 53 1HD2 LEU 53 9.574 10.182 5.358 466 2HD2 LEU 53 2HD2 LEU 53 9.009 8.708 6.145 467 3HD2 LEU 53 3HD2 LEU 53 10.621 8.764 5.431 468 H LYS 54 H LYS 54 9.535 4.734 6.499 469 HA LYS 54 HA LYS 54 9.041 2.313 4.921 470 1HB LYS 54 2HB LYS 54 9.923 2.851 7.737 471 2HB LYS 54 3HB LYS 54 9.262 1.278 7.298 472 1HG LYS 54 2HG LYS 54 10.995 0.834 5.768 473 2HG LYS 54 3HG LYS 54 11.438 2.536 5.639 474 1HD LYS 54 2HD LYS 54 12.281 2.518 7.942 475 2HD LYS 54 3HD LYS 54 11.793 0.834 8.124 476 1HE LYS 54 2HE LYS 54 13.438 0.062 6.634 477 2HE LYS 54 3HE LYS 54 13.645 1.651 5.895 478 1HZ LYS 54 1HZ LYS 54 14.742 2.450 7.808 479 2HZ LYS 54 2HZ LYS 54 15.447 0.943 7.465 480 3HZ LYS 54 3HZ LYS 54 14.316 1.089 8.725 481 H GLY 55 H GLY 55 6.943 2.102 4.396 482 1HA GLY 55 1HA GLY 55 4.880 2.559 6.463 483 2HA GLY 55 2HA GLY 55 4.587 2.495 4.726 484 H LYS 56 H LYS 56 3.025 0.914 6.356 485 HA LYS 56 HA LYS 56 3.797 -1.741 5.436 486 1HB LYS 56 2HB LYS 56 4.822 -1.430 7.742 487 2HB LYS 56 3HB LYS 56 3.174 -1.363 8.368 488 1HG LYS 56 2HG LYS 56 2.711 -3.581 7.353 489 2HG LYS 56 3HG LYS 56 4.374 -3.650 6.772 490 1HD LYS 56 2HD LYS 56 5.114 -3.379 9.191 491 2HD LYS 56 3HD LYS 56 3.430 -3.631 9.651 492 1HE LYS 56 2HE LYS 56 3.408 -5.839 8.721 493 2HE LYS 56 3HE LYS 56 4.948 -5.580 7.900 494 1HZ LYS 56 1HZ LYS 56 5.830 -6.539 9.690 495 2HZ LYS 56 2HZ LYS 56 4.425 -6.341 10.623 496 3HZ LYS 56 3HZ LYS 56 5.546 -5.069 10.489 497 H ILE 57 H ILE 57 2.079 -2.834 4.754 498 HA ILE 57 HA ILE 57 -0.549 -1.710 4.944 499 HB ILE 57 HB ILE 57 0.424 -4.390 3.917 500 1HG1 ILE 57 2HG1 ILE 57 -0.627 -2.040 2.333 501 2HG1 ILE 57 3HG1 ILE 57 1.077 -2.155 2.773 502 1HG2 ILE 57 1HG2 ILE 57 -1.854 -4.403 2.782 503 2HG2 ILE 57 2HG2 ILE 57 -1.893 -4.651 4.527 504 3HG2 ILE 57 3HG2 ILE 57 -2.311 -3.077 3.852 505 1HD1 ILE 57 1HD1 ILE 57 0.123 -3.203 0.492 506 2HD1 ILE 57 2HD1 ILE 57 1.462 -3.938 1.371 507 3HD1 ILE 57 3HD1 ILE 57 -0.171 -4.576 1.559 508 H VAL 58 H VAL 58 -2.158 -2.180 6.348 509 HA VAL 58 HA VAL 58 -1.538 -4.144 8.460 510 HB VAL 58 HB VAL 58 -3.565 -2.800 9.546 511 1HG1 VAL 58 1HG1 VAL 58 -1.781 -1.165 10.407 512 2HG1 VAL 58 2HG1 VAL 58 -1.448 -2.882 10.630 513 3HG1 VAL 58 3HG1 VAL 58 -0.658 -1.993 9.328 514 1HG2 VAL 58 1HG2 VAL 58 -3.779 -1.460 7.361 515 2HG2 VAL 58 2HG2 VAL 58 -3.684 -0.519 8.847 516 3HG2 VAL 58 3HG2 VAL 58 -2.264 -0.680 7.815 517 H ARG 59 H ARG 59 -3.904 -3.320 5.994 518 HA ARG 59 HA ARG 59 -5.061 -5.942 6.181 519 1HB ARG 59 2HB ARG 59 -7.434 -4.729 6.492 520 2HB ARG 59 3HB ARG 59 -6.500 -5.355 7.850 521 1HG ARG 59 2HG ARG 59 -5.717 -3.224 8.461 522 2HG ARG 59 3HG ARG 59 -6.057 -2.541 6.871 523 1HD ARG 59 2HD ARG 59 -7.679 -1.859 8.698 524 2HD ARG 59 3HD ARG 59 -8.417 -2.565 7.263 525 HE ARG 59 HE ARG 59 -7.879 -4.572 9.221 526 1HH1 ARG 59 1HH2 ARG 59 -10.409 -4.502 7.666 527 2HH1 ARG 59 2HH2 ARG 59 -11.582 -4.026 8.847 528 1HH2 ARG 59 1HH1 ARG 59 -9.230 -2.859 11.106 529 2HH2 ARG 59 2HH1 ARG 59 -10.914 -3.105 10.793 530 H VAL 60 H VAL 60 -6.558 -6.422 4.513 531 HA VAL 60 HA VAL 60 -6.321 -4.640 2.182 532 HB VAL 60 HB VAL 60 -5.635 -7.055 1.981 533 1HG1 VAL 60 1HG1 VAL 60 -7.158 -8.812 2.194 534 2HG1 VAL 60 2HG1 VAL 60 -7.679 -7.743 3.496 535 3HG1 VAL 60 3HG1 VAL 60 -8.557 -7.764 1.966 536 1HG2 VAL 60 1HG2 VAL 60 -7.820 -5.833 0.312 537 2HG2 VAL 60 2HG2 VAL 60 -6.123 -6.097 -0.095 538 3HG2 VAL 60 3HG2 VAL 60 -7.243 -7.457 -0.059 539 H HIS 61 H HIS 61 -7.994 -3.280 1.834 540 HA HIS 61 HA HIS 61 -10.718 -4.324 2.250 541 1HB HIS 61 2HB HIS 61 -9.803 -2.943 4.266 542 2HB HIS 61 3HB HIS 61 -10.107 -1.552 3.227 543 HD1 HIS 61 HD1 HIS 61 -12.123 -4.756 3.712 544 HD2 HIS 61 HD2 HIS 61 -12.596 -0.625 4.008 545 HE1 HIS 61 HE1 HIS 61 -14.567 -4.351 4.232 546 H GLY 62 H GLY 62 -11.740 -4.114 0.384 547 1HA GLY 62 1HA GLY 62 -12.687 -2.007 -0.888 548 2HA GLY 62 2HA GLY 62 -11.026 -1.948 -1.456 549 H THR 63 H THR 63 -11.199 -5.051 -1.154 550 HA THR 63 HA THR 63 -11.369 -6.816 -2.587 551 HB THR 63 HB THR 63 -13.574 -6.938 -3.893 552 HG1 THR 63 HG1 THR 63 -13.896 -4.634 -3.838 553 1HG2 THR 63 1HG2 THR 63 -13.248 -6.738 -0.922 554 2HG2 THR 63 2HG2 THR 63 -14.848 -7.035 -1.599 555 3HG2 THR 63 3HG2 THR 63 -13.531 -8.163 -1.919 556 H LYS 64 H LYS 64 -11.185 -7.510 -4.814 557 HA LYS 64 HA LYS 64 -10.445 -7.299 -6.991 558 1HB LYS 64 2HB LYS 64 -12.394 -5.619 -7.110 559 2HB LYS 64 3HB LYS 64 -11.170 -4.371 -6.900 560 1HG LYS 64 2HG LYS 64 -9.939 -5.454 -8.872 561 2HG LYS 64 3HG LYS 64 -11.421 -6.364 -9.160 562 1HD LYS 64 2HD LYS 64 -12.021 -4.571 -10.423 563 2HD LYS 64 3HD LYS 64 -12.414 -3.831 -8.872 564 1HE LYS 64 2HE LYS 64 -9.974 -3.430 -10.589 565 2HE LYS 64 3HE LYS 64 -11.024 -2.220 -9.852 566 1HZ LYS 64 1HZ LYS 64 -9.110 -2.210 -8.550 567 2HZ LYS 64 2HZ LYS 64 -8.967 -3.903 -8.558 568 3HZ LYS 64 3HZ LYS 64 -10.196 -3.153 -7.655 569 H GLY 65 H GLY 65 -9.448 -5.202 -4.463 570 1HA GLY 65 1HA GLY 65 -6.883 -5.402 -4.295 571 2HA GLY 65 2HA GLY 65 -6.943 -4.461 -5.785 572 H ALA 66 H ALA 66 -6.502 -4.196 -2.615 573 HA ALA 66 HA ALA 66 -6.539 -1.413 -2.448 574 1HB ALA 66 1HB ALA 66 -8.981 -2.708 -1.200 575 2HB ALA 66 2HB ALA 66 -8.483 -1.030 -0.975 576 3HB ALA 66 3HB ALA 66 -8.995 -1.592 -2.565 577 H VAL 67 H VAL 67 -5.683 -0.722 -0.443 578 HA VAL 67 HA VAL 67 -5.517 -2.606 1.758 579 HB VAL 67 HB VAL 67 -2.993 -2.478 1.807 580 1HG1 VAL 67 1HG1 VAL 67 -2.715 -4.381 0.425 581 2HG1 VAL 67 2HG1 VAL 67 -4.405 -4.441 0.924 582 3HG1 VAL 67 3HG1 VAL 67 -3.981 -3.861 -0.688 583 1HG2 VAL 67 1HG2 VAL 67 -1.821 -1.922 -0.241 584 2HG2 VAL 67 2HG2 VAL 67 -3.344 -1.679 -1.095 585 3HG2 VAL 67 3HG2 VAL 67 -2.861 -0.562 0.181 586 H ARG 68 H ARG 68 -5.273 -1.594 3.667 587 HA ARG 68 HA ARG 68 -5.127 1.325 3.644 588 1HB ARG 68 2HB ARG 68 -6.782 -0.141 5.043 589 2HB ARG 68 3HB ARG 68 -5.406 -0.361 6.124 590 1HG ARG 68 2HG ARG 68 -5.181 2.206 6.077 591 2HG ARG 68 3HG ARG 68 -6.796 2.213 5.368 592 1HD ARG 68 2HD ARG 68 -6.098 0.844 7.980 593 2HD ARG 68 3HD ARG 68 -6.789 2.459 7.870 594 HE ARG 68 HE ARG 68 -8.154 -0.045 7.096 595 1HH1 ARG 68 1HH1 ARG 68 -8.716 2.147 9.349 596 2HH1 ARG 68 2HH1 ARG 68 -10.196 2.798 8.729 597 1HH2 ARG 68 1HH2 ARG 68 -9.841 1.335 5.605 598 2HH2 ARG 68 2HH2 ARG 68 -10.824 2.352 6.603 599 H ALA 69 H ALA 69 -3.602 2.464 4.989 600 HA ALA 69 HA ALA 69 -1.288 0.922 5.923 601 1HB ALA 69 1HB ALA 69 -1.119 3.160 3.893 602 2HB ALA 69 2HB ALA 69 0.265 2.463 4.735 603 3HB ALA 69 3HB ALA 69 -0.690 1.469 3.634 604 H ARG 70 H ARG 70 0.194 2.201 7.202 605 HA ARG 70 HA ARG 70 -0.828 4.747 8.229 606 1HB ARG 70 2HB ARG 70 -0.534 2.213 9.838 607 2HB ARG 70 3HB ARG 70 -0.434 3.802 10.596 608 1HG ARG 70 2HG ARG 70 -2.657 4.381 9.688 609 2HG ARG 70 3HG ARG 70 -2.762 2.786 8.940 610 1HD ARG 70 2HD ARG 70 -2.358 1.859 11.320 611 2HD ARG 70 3HD ARG 70 -2.763 3.481 11.875 612 HE ARG 70 HE ARG 70 -4.580 1.568 10.602 613 1HH1 ARG 70 1HH1 ARG 70 -4.230 4.906 10.588 614 2HH1 ARG 70 2HH1 ARG 70 -5.777 5.259 11.282 615 1HH2 ARG 70 1HH2 ARG 70 -6.490 1.950 12.028 616 2HH2 ARG 70 2HH2 ARG 70 -7.056 3.585 12.088 617 H PHE 71 H PHE 71 0.840 6.073 8.134 618 HA PHE 71 HA PHE 71 3.571 5.024 8.333 619 1HB PHE 71 2HB PHE 71 2.431 7.665 7.409 620 2HB PHE 71 3HB PHE 71 4.161 7.381 7.598 621 HD1 PHE 71 HD1 PHE 71 1.157 5.725 6.053 622 HD2 PHE 71 HD2 PHE 71 5.348 6.619 5.741 623 HE1 PHE 71 HE1 PHE 71 1.223 4.640 3.825 624 HE2 PHE 71 HE2 PHE 71 5.411 5.534 3.513 625 HZ PHE 71 HZ PHE 71 3.349 4.544 2.554 626 H GLU 72 H GLU 72 4.918 5.462 9.983 627 HA GLU 72 HA GLU 72 3.938 6.340 12.477 628 1HB GLU 72 2HB GLU 72 6.750 6.045 11.403 629 2HB GLU 72 3HB GLU 72 6.399 6.470 13.079 630 1HG GLU 72 2HG GLU 72 5.131 4.401 13.378 631 2HG GLU 72 3HG GLU 72 5.370 3.978 11.684 632 H LYS 73 H LYS 73 4.443 8.134 9.766 633 HA LYS 73 HA LYS 73 4.434 10.627 11.255 634 1HB LYS 73 2HB LYS 73 6.886 9.838 10.787 635 2HB LYS 73 3HB LYS 73 6.547 10.352 9.136 636 1HG LYS 73 2HG LYS 73 6.013 12.150 11.507 637 2HG LYS 73 3HG LYS 73 7.582 12.106 10.703 638 1HD LYS 73 2HD LYS 73 6.242 12.477 8.511 639 2HD LYS 73 3HD LYS 73 4.921 12.965 9.572 640 1HE LYS 73 2HE LYS 73 7.700 14.165 9.688 641 2HE LYS 73 3HE LYS 73 6.355 14.881 8.798 642 1HZ LYS 73 1HZ LYS 73 6.924 15.044 11.548 643 2HZ LYS 73 2HZ LYS 73 5.429 14.262 11.345 644 3HZ LYS 73 3HZ LYS 73 5.680 15.802 10.676 645 H GLY 74 H GLY 74 5.185 9.565 7.931 646 1HA GLY 74 1HA GLY 74 3.136 9.714 6.392 647 2HA GLY 74 2HA GLY 74 3.084 11.387 6.939 648 H LEU 75 H LEU 75 3.273 11.581 4.482 649 HA LEU 75 HA LEU 75 6.007 11.275 3.482 650 1HB LEU 75 2HB LEU 75 3.808 12.516 1.867 651 2HB LEU 75 3HB LEU 75 5.123 11.461 1.351 652 HG LEU 75 HG LEU 75 2.654 10.648 2.915 653 1HD1 LEU 75 1HD1 LEU 75 3.672 9.993 0.137 654 2HD1 LEU 75 2HD1 LEU 75 2.315 9.172 0.910 655 3HD1 LEU 75 3HD1 LEU 75 2.212 10.895 0.547 656 1HD2 LEU 75 1HD2 LEU 75 3.823 8.305 2.328 657 2HD2 LEU 75 2HD2 LEU 75 5.278 9.293 2.443 658 3HD2 LEU 75 3HD2 LEU 75 4.185 9.168 3.821 659 HA PRO 76 HA PRO 76 7.069 15.517 3.906 660 1HB PRO 76 2HB PRO 76 8.081 15.948 1.241 661 2HB PRO 76 3HB PRO 76 8.991 15.577 2.714 662 1HG PRO 76 2HG PRO 76 8.696 13.896 0.545 663 2HG PRO 76 3HG PRO 76 9.182 13.402 2.173 664 1HD PRO 76 2HD PRO 76 6.531 13.127 0.832 665 2HD PRO 76 3HD PRO 76 7.292 12.086 2.057 666 H GLY 77 H GLY 77 5.526 17.039 4.089 667 1HA GLY 77 1HA GLY 77 4.157 18.796 3.450 668 2HA GLY 77 2HA GLY 77 4.600 18.485 1.772 669 H GLN 78 H GLN 78 3.705 16.270 0.959 670 HA GLN 78 HA GLN 78 1.278 15.291 2.081 671 1HB GLN 78 2HB GLN 78 1.037 17.643 0.472 672 2HB GLN 78 3HB GLN 78 0.346 16.291 -0.423 673 1HG GLN 78 2HG GLN 78 -0.314 16.703 2.490 674 2HG GLN 78 3HG GLN 78 -1.188 17.578 1.236 675 1HE2 GLN 78 2HE2 GLN 78 0.037 14.210 1.017 676 2HE2 GLN 78 1HE2 GLN 78 -1.493 13.506 0.837 677 H ALA 79 H ALA 79 2.337 15.878 -1.277 678 HA ALA 79 HA ALA 79 2.900 14.445 -2.976 679 1HB ALA 79 1HB ALA 79 3.366 12.242 -0.988 680 2HB ALA 79 2HB ALA 79 4.230 12.598 -2.482 681 3HB ALA 79 3HB ALA 79 4.467 13.616 -1.063 682 H LEU 80 H LEU 80 0.149 14.534 -1.745 683 HA LEU 80 HA LEU 80 -1.067 11.998 -1.800 684 1HB LEU 80 2HB LEU 80 -1.956 14.417 -1.118 685 2HB LEU 80 3HB LEU 80 -2.596 14.380 -2.759 686 HG LEU 80 HG LEU 80 -3.081 12.263 -0.635 687 1HD1 LEU 80 1HD1 LEU 80 -4.223 14.532 -0.351 688 2HD1 LEU 80 2HD1 LEU 80 -5.070 14.190 -1.860 689 3HD1 LEU 80 3HD1 LEU 80 -5.301 13.143 -0.459 690 1HD2 LEU 80 1HD2 LEU 80 -3.169 11.182 -2.761 691 2HD2 LEU 80 2HD2 LEU 80 -4.847 11.560 -2.375 692 3HD2 LEU 80 3HD2 LEU 80 -3.960 12.568 -3.518 693 H GLY 81 H GLY 81 -0.732 10.666 -3.498 694 1HA GLY 81 1HA GLY 81 -1.710 9.990 -5.624 695 2HA GLY 81 2HA GLY 81 -1.524 11.648 -6.178 696 H ASP 82 H ASP 82 1.184 10.786 -4.388 697 HA ASP 82 HA ASP 82 2.862 10.736 -6.714 698 1HB ASP 82 2HB ASP 82 3.512 11.731 -4.495 699 2HB ASP 82 3HB ASP 82 3.614 10.092 -3.856 700 H TYR 83 H TYR 83 4.012 9.024 -7.567 701 HA TYR 83 HA TYR 83 2.839 6.430 -7.320 702 1HB TYR 83 2HB TYR 83 4.875 7.730 -8.971 703 2HB TYR 83 3HB TYR 83 5.310 6.075 -8.546 704 HD1 TYR 83 HD1 TYR 83 1.897 7.537 -9.054 705 HD2 TYR 83 HD2 TYR 83 4.914 4.850 -10.527 706 HE1 TYR 83 HE1 TYR 83 0.308 6.680 -10.751 707 HE2 TYR 83 HE2 TYR 83 3.320 3.997 -12.223 708 HH TYR 83 HH TYR 83 0.955 5.309 -13.347 709 H VAL 84 H VAL 84 3.121 5.180 -5.586 710 HA VAL 84 HA VAL 84 5.577 5.427 -4.008 711 HB VAL 84 HB VAL 84 4.426 3.863 -2.440 712 1HG1 VAL 84 1HG1 VAL 84 2.313 5.852 -2.787 713 2HG1 VAL 84 2HG1 VAL 84 3.461 5.655 -1.464 714 3HG1 VAL 84 3HG1 VAL 84 3.923 6.558 -2.906 715 1HG2 VAL 84 1HG2 VAL 84 1.997 4.221 -4.208 716 2HG2 VAL 84 2HG2 VAL 84 3.056 2.818 -4.344 717 3HG2 VAL 84 3HG2 VAL 84 2.194 3.128 -2.838 718 H GLU 85 H GLU 85 6.524 3.268 -3.216 719 HA GLU 85 HA GLU 85 6.353 1.149 -5.219 720 1HB GLU 85 2HB GLU 85 8.986 2.507 -4.588 721 2HB GLU 85 3HB GLU 85 8.737 1.159 -5.692 722 1HG GLU 85 2HG GLU 85 7.223 2.634 -7.050 723 2HG GLU 85 3HG GLU 85 7.671 3.978 -6.002 724 H ILE 86 H ILE 86 7.393 -0.790 -4.581 725 HA ILE 86 HA ILE 86 7.765 -0.977 -1.655 726 HB ILE 86 HB ILE 86 6.890 -2.995 -3.738 727 1HG1 ILE 86 2HG1 ILE 86 5.527 -2.588 -1.115 728 2HG1 ILE 86 3HG1 ILE 86 5.400 -1.278 -2.287 729 1HG2 ILE 86 1HG2 ILE 86 8.225 -3.417 -1.118 730 2HG2 ILE 86 2HG2 ILE 86 6.777 -4.382 -1.404 731 3HG2 ILE 86 3HG2 ILE 86 8.138 -4.481 -2.522 732 1HD1 ILE 86 1HD1 ILE 86 4.297 -2.617 -3.861 733 2HD1 ILE 86 2HD1 ILE 86 4.881 -4.116 -3.140 734 3HD1 ILE 86 3HD1 ILE 86 3.615 -3.185 -2.336 735 H VAL 87 H VAL 87 9.919 0.026 -2.174 736 HA VAL 87 HA VAL 87 11.757 -1.833 -3.519 737 HB VAL 87 HB VAL 87 12.798 0.687 -2.349 738 1HG1 VAL 87 1HG1 VAL 87 14.211 -0.763 -3.718 739 2HG1 VAL 87 2HG1 VAL 87 13.031 -0.721 -5.026 740 3HG1 VAL 87 3HG1 VAL 87 13.908 0.743 -4.581 741 1HG2 VAL 87 1HG2 VAL 87 11.886 1.909 -4.411 742 2HG2 VAL 87 2HG2 VAL 87 10.749 0.571 -4.580 743 3HG2 VAL 87 3HG2 VAL 87 10.716 1.581 -3.136 Start of MODEL 4 1 1H MET 1 1HT MET 1 13.664 -8.831 -6.282 2 2H MET 1 2HT MET 1 12.938 -8.099 -4.932 3 3H MET 1 3HT MET 1 13.891 -7.175 -5.995 4 HA MET 1 HA MET 1 12.304 -7.483 -7.767 5 1HB MET 1 2HB MET 1 10.948 -9.181 -5.665 6 2HB MET 1 3HB MET 1 10.070 -8.529 -7.050 7 1HG MET 1 2HG MET 1 11.801 -9.592 -8.545 8 2HG MET 1 3HG MET 1 12.460 -10.389 -7.115 9 1HE MET 1 1HE MET 1 12.352 -12.242 -8.497 10 2HE MET 1 2HE MET 1 11.069 -12.357 -9.698 11 3HE MET 1 3HE MET 1 11.076 -13.453 -8.321 12 H ARG 2 H ARG 2 11.201 -5.646 -8.042 13 HA ARG 2 HA ARG 2 10.252 -4.199 -5.637 14 1HB ARG 2 2HB ARG 2 10.968 -2.863 -8.237 15 2HB ARG 2 3HB ARG 2 10.888 -2.167 -6.619 16 1HG ARG 2 2HG ARG 2 12.826 -3.666 -5.977 17 2HG ARG 2 3HG ARG 2 12.971 -4.093 -7.682 18 1HD ARG 2 2HD ARG 2 13.010 -1.230 -6.712 19 2HD ARG 2 3HD ARG 2 14.472 -2.194 -6.893 20 HE ARG 2 HE ARG 2 12.666 -1.420 -9.105 21 1HH1 ARG 2 1HH1 ARG 2 15.666 -0.624 -8.324 22 2HH1 ARG 2 2HH1 ARG 2 16.496 -1.388 -9.639 23 1HH2 ARG 2 1HH2 ARG 2 13.756 -3.270 -10.624 24 2HH2 ARG 2 2HH2 ARG 2 15.418 -2.891 -10.935 25 H ILE 3 H ILE 3 8.377 -2.771 -6.016 26 HA ILE 3 HA ILE 3 6.732 -3.438 -8.346 27 HB ILE 3 HB ILE 3 5.344 -3.651 -5.719 28 1HG1 ILE 3 2HG1 ILE 3 7.019 -5.870 -6.950 29 2HG1 ILE 3 3HG1 ILE 3 7.299 -5.106 -5.386 30 1HG2 ILE 3 1HG2 ILE 3 4.301 -3.710 -8.072 31 2HG2 ILE 3 2HG2 ILE 3 5.034 -5.308 -8.227 32 3HG2 ILE 3 3HG2 ILE 3 3.841 -5.004 -6.964 33 1HD1 ILE 3 1HD1 ILE 3 5.074 -6.957 -6.207 34 2HD1 ILE 3 2HD1 ILE 3 6.137 -7.060 -4.805 35 3HD1 ILE 3 3HD1 ILE 3 4.857 -5.849 -4.852 36 H LYS 4 H LYS 4 5.202 -1.934 -8.845 37 HA LYS 4 HA LYS 4 5.534 0.671 -7.573 38 1HB LYS 4 2HB LYS 4 4.041 -0.178 -10.062 39 2HB LYS 4 3HB LYS 4 4.207 1.486 -9.503 40 1HG LYS 4 2HG LYS 4 6.695 -0.149 -9.809 41 2HG LYS 4 3HG LYS 4 5.916 0.459 -11.268 42 1HD LYS 4 2HD LYS 4 6.291 2.379 -9.010 43 2HD LYS 4 3HD LYS 4 7.721 1.913 -9.930 44 1HE LYS 4 2HE LYS 4 5.213 2.753 -11.369 45 2HE LYS 4 3HE LYS 4 6.322 3.970 -10.736 46 1HZ LYS 4 1HZ LYS 4 7.989 3.319 -12.139 47 2HZ LYS 4 2HZ LYS 4 6.635 3.036 -13.122 48 3HZ LYS 4 3HZ LYS 4 7.390 1.743 -12.323 49 H GLY 5 H GLY 5 3.377 2.010 -7.659 50 1HA GLY 5 1HA GLY 5 0.911 0.735 -7.041 51 2HA GLY 5 2HA GLY 5 1.739 1.213 -5.560 52 H VAL 6 H VAL 6 -0.617 2.428 -5.948 53 HA VAL 6 HA VAL 6 0.180 5.195 -6.467 54 HB VAL 6 HB VAL 6 -2.351 4.165 -7.745 55 1HG1 VAL 6 1HG1 VAL 6 -2.053 6.216 -9.105 56 2HG1 VAL 6 2HG1 VAL 6 -2.141 6.583 -7.384 57 3HG1 VAL 6 3HG1 VAL 6 -0.582 6.586 -8.205 58 1HG2 VAL 6 1HG2 VAL 6 -1.055 4.172 -9.904 59 2HG2 VAL 6 2HG2 VAL 6 0.426 4.328 -8.962 60 3HG2 VAL 6 3HG2 VAL 6 -0.575 2.884 -8.801 61 H VAL 7 H VAL 7 -0.816 6.614 -5.156 62 HA VAL 7 HA VAL 7 -2.500 5.587 -3.036 63 HB VAL 7 HB VAL 7 -1.472 8.369 -3.651 64 1HG1 VAL 7 1HG1 VAL 7 -2.087 8.628 -1.125 65 2HG1 VAL 7 2HG1 VAL 7 -3.371 8.771 -2.326 66 3HG1 VAL 7 3HG1 VAL 7 -3.174 7.271 -1.419 67 1HG2 VAL 7 1HG2 VAL 7 -0.636 6.641 -1.339 68 2HG2 VAL 7 2HG2 VAL 7 0.062 6.347 -2.933 69 3HG2 VAL 7 3HG2 VAL 7 0.261 7.919 -2.160 70 H LEU 8 H LEU 8 -4.618 6.228 -2.590 71 HA LEU 8 HA LEU 8 -6.105 7.254 -4.929 72 1HB LEU 8 2HB LEU 8 -7.156 5.699 -2.548 73 2HB LEU 8 3HB LEU 8 -8.049 6.123 -4.009 74 HG LEU 8 HG LEU 8 -5.632 4.293 -3.845 75 1HD1 LEU 8 1HD1 LEU 8 -7.423 2.966 -3.194 76 2HD1 LEU 8 2HD1 LEU 8 -8.590 3.900 -4.129 77 3HD1 LEU 8 3HD1 LEU 8 -7.506 2.776 -4.944 78 1HD2 LEU 8 1HD2 LEU 8 -7.132 5.501 -6.165 79 2HD2 LEU 8 2HD2 LEU 8 -5.393 5.343 -5.938 80 3HD2 LEU 8 3HD2 LEU 8 -6.360 3.926 -6.331 81 H SER 9 H SER 9 -5.850 7.501 -1.392 82 HA SER 9 HA SER 9 -6.334 10.314 -1.417 83 1HB SER 9 2HB SER 9 -8.608 8.476 -0.818 84 2HB SER 9 3HB SER 9 -8.445 9.944 0.141 85 HG SER 9 HG SER 9 -8.988 11.083 -1.545 86 H TYR 10 H TYR 10 -5.567 11.232 0.421 87 HA TYR 10 HA TYR 10 -4.513 9.422 2.477 88 1HB TYR 10 2HB TYR 10 -3.036 11.158 1.409 89 2HB TYR 10 3HB TYR 10 -4.036 12.397 2.162 90 HD1 TYR 10 HD1 TYR 10 -4.214 12.510 4.663 91 HD2 TYR 10 HD2 TYR 10 -1.420 9.920 2.679 92 HE1 TYR 10 HE1 TYR 10 -2.943 12.267 6.776 93 HE2 TYR 10 HE2 TYR 10 -0.147 9.677 4.793 94 HH TYR 10 HH TYR 10 -1.254 11.233 7.802 95 H ARG 11 H ARG 11 -5.751 9.037 4.191 96 HA ARG 11 HA ARG 11 -7.833 10.931 4.987 97 1HB ARG 11 2HB ARG 11 -7.136 8.139 5.919 98 2HB ARG 11 3HB ARG 11 -8.452 9.101 6.591 99 1HG ARG 11 2HG ARG 11 -9.471 9.259 4.332 100 2HG ARG 11 3HG ARG 11 -8.173 8.248 3.692 101 1HD ARG 11 2HD ARG 11 -8.827 6.436 5.239 102 2HD ARG 11 3HD ARG 11 -10.125 7.446 5.868 103 HE ARG 11 HE ARG 11 -10.207 7.031 2.998 104 1HH1 ARG 11 1HH1 ARG 11 -11.781 6.728 5.992 105 2HH1 ARG 11 2HH1 ARG 11 -12.871 5.485 5.480 106 1HH2 ARG 11 1HH2 ARG 11 -11.357 5.047 2.399 107 2HH2 ARG 11 2HH2 ARG 11 -12.629 4.533 3.455 108 H ARG 12 H ARG 12 -6.825 12.627 6.048 109 HA ARG 12 HA ARG 12 -4.829 12.109 8.090 110 1HB ARG 12 2HB ARG 12 -4.866 14.126 6.528 111 2HB ARG 12 3HB ARG 12 -6.191 14.741 7.516 112 1HG ARG 12 2HG ARG 12 -4.785 14.671 9.511 113 2HG ARG 12 3HG ARG 12 -3.467 13.948 8.586 114 1HD ARG 12 2HD ARG 12 -3.172 15.922 7.281 115 2HD ARG 12 3HD ARG 12 -4.681 16.617 7.864 116 HE ARG 12 HE ARG 12 -3.001 16.154 10.080 117 1HH1 ARG 12 1HH1 ARG 12 -1.848 17.524 7.284 118 2HH1 ARG 12 2HH1 ARG 12 -1.568 19.106 7.930 119 1HH2 ARG 12 1HH2 ARG 12 -3.239 18.473 10.904 120 2HH2 ARG 12 2HH2 ARG 12 -2.370 19.648 9.974 121 H SER 13 H SER 13 -6.771 10.669 8.992 122 HA SER 13 HA SER 13 -7.485 11.744 11.495 123 1HB SER 13 2HB SER 13 -9.067 13.133 10.316 124 2HB SER 13 3HB SER 13 -9.676 11.755 9.409 125 HG SER 13 HG SER 13 -10.891 12.483 11.352 126 H LYS 14 H LYS 14 -10.219 10.163 10.751 127 HA LYS 14 HA LYS 14 -11.009 8.034 10.998 128 1HB LYS 14 2HB LYS 14 -9.206 7.664 9.162 129 2HB LYS 14 3HB LYS 14 -8.263 6.933 10.461 130 1HG LYS 14 2HG LYS 14 -10.285 5.480 10.965 131 2HG LYS 14 3HG LYS 14 -10.999 6.089 9.472 132 1HD LYS 14 2HD LYS 14 -8.778 5.336 8.354 133 2HD LYS 14 3HD LYS 14 -8.529 4.391 9.821 134 1HE LYS 14 2HE LYS 14 -10.592 4.059 7.679 135 2HE LYS 14 3HE LYS 14 -9.663 2.833 8.538 136 1HZ LYS 14 1HZ LYS 14 -11.060 3.850 10.542 137 2HZ LYS 14 2HZ LYS 14 -11.617 2.555 9.594 138 3HZ LYS 14 3HZ LYS 14 -12.157 4.134 9.280 139 H GLU 15 H GLU 15 -8.837 9.453 12.993 140 HA GLU 15 HA GLU 15 -8.239 9.136 15.184 141 1HB GLU 15 2HB GLU 15 -10.195 6.829 15.233 142 2HB GLU 15 3HB GLU 15 -9.640 7.807 16.590 143 1HG GLU 15 2HG GLU 15 -10.628 9.787 15.104 144 2HG GLU 15 3HG GLU 15 -11.616 8.481 14.452 145 H ASN 16 H ASN 16 -8.990 5.784 14.272 146 HA ASN 16 HA ASN 16 -7.756 3.863 14.608 147 1HB ASN 16 2HB ASN 16 -5.642 3.917 13.194 148 2HB ASN 16 3HB ASN 16 -7.144 4.323 12.371 149 1HD2 ASN 16 2HD2 ASN 16 -7.609 6.776 12.232 150 2HD2 ASN 16 1HD2 ASN 16 -6.275 7.803 12.013 151 H GLN 17 H GLN 17 -4.644 5.152 14.320 152 HA GLN 17 HA GLN 17 -4.217 5.525 17.177 153 1HB GLN 17 2HB GLN 17 -4.037 2.976 16.363 154 2HB GLN 17 3HB GLN 17 -2.420 3.506 15.914 155 1HG GLN 17 2HG GLN 17 -3.689 3.688 18.664 156 2HG GLN 17 3HG GLN 17 -2.360 2.635 18.187 157 1HE2 GLN 17 2HE2 GLN 17 -0.297 3.801 17.469 158 2HE2 GLN 17 1HE2 GLN 17 0.053 5.304 18.170 159 H HIS 18 H HIS 18 -4.010 7.233 14.897 160 HA HIS 18 HA HIS 18 -1.359 8.251 15.324 161 1HB HIS 18 2HB HIS 18 -2.015 6.814 12.769 162 2HB HIS 18 3HB HIS 18 -0.981 8.241 12.707 163 HD1 HIS 18 HD1 HIS 18 1.233 8.144 14.230 164 HD2 HIS 18 HD2 HIS 18 -0.743 4.513 13.704 165 HE1 HIS 18 HE1 HIS 18 2.863 6.333 14.921 166 H ASN 19 H ASN 19 -4.551 8.388 14.408 167 HA ASN 19 HA ASN 19 -5.981 10.105 13.988 168 1HB ASN 19 2HB ASN 19 -3.806 12.145 14.223 169 2HB ASN 19 3HB ASN 19 -5.464 12.201 14.815 170 1HD2 ASN 19 2HD2 ASN 19 -2.274 11.792 15.841 171 2HD2 ASN 19 1HD2 ASN 19 -2.579 11.013 17.317 172 H ASN 20 H ASN 20 -3.752 9.048 11.986 173 HA ASN 20 HA ASN 20 -4.780 10.552 9.729 174 1HB ASN 20 2HB ASN 20 -1.781 10.509 10.083 175 2HB ASN 20 3HB ASN 20 -2.732 11.454 8.943 176 1HD2 ASN 20 2HD2 ASN 20 -1.417 11.394 12.166 177 2HD2 ASN 20 1HD2 ASN 20 -2.023 12.903 12.655 178 H VAL 21 H VAL 21 -5.382 8.850 8.500 179 HA VAL 21 HA VAL 21 -3.515 6.574 8.168 180 HB VAL 21 HB VAL 21 -6.522 6.769 7.884 181 1HG1 VAL 21 1HG1 VAL 21 -4.617 4.589 6.997 182 2HG1 VAL 21 2HG1 VAL 21 -6.316 4.273 7.341 183 3HG1 VAL 21 3HG1 VAL 21 -5.872 5.385 6.046 184 1HG2 VAL 21 1HG2 VAL 21 -6.343 4.851 9.544 185 2HG2 VAL 21 2HG2 VAL 21 -4.623 5.221 9.663 186 3HG2 VAL 21 3HG2 VAL 21 -5.819 6.421 10.151 187 H MET 22 H MET 22 -3.621 5.538 5.938 188 HA MET 22 HA MET 22 -4.270 7.404 3.775 189 1HB MET 22 2HB MET 22 -2.031 7.182 2.766 190 2HB MET 22 3HB MET 22 -1.955 7.963 4.344 191 1HG MET 22 2HG MET 22 -1.708 5.306 5.018 192 2HG MET 22 3HG MET 22 -0.848 5.376 3.481 193 1HE MET 22 1HE MET 22 -0.317 6.572 7.480 194 2HE MET 22 2HE MET 22 -1.707 7.104 6.542 195 3HE MET 22 3HE MET 22 -0.414 8.242 6.907 196 H ILE 23 H ILE 23 -4.943 6.394 1.962 197 HA ILE 23 HA ILE 23 -5.014 3.462 2.005 198 HB ILE 23 HB ILE 23 -6.451 5.441 0.214 199 1HG1 ILE 23 2HG1 ILE 23 -7.515 3.731 2.487 200 2HG1 ILE 23 3HG1 ILE 23 -7.095 5.434 2.664 201 1HG2 ILE 23 1HG2 ILE 23 -7.854 3.359 -0.264 202 2HG2 ILE 23 2HG2 ILE 23 -6.234 3.362 -0.960 203 3HG2 ILE 23 3HG2 ILE 23 -6.564 2.427 0.498 204 1HD1 ILE 23 1HD1 ILE 23 -8.756 6.084 1.032 205 2HD1 ILE 23 2HD1 ILE 23 -9.085 4.397 0.625 206 3HD1 ILE 23 3HD1 ILE 23 -9.537 5.028 2.209 207 H ILE 24 H ILE 24 -4.496 2.247 0.077 208 HA ILE 24 HA ILE 24 -2.776 3.596 -1.885 209 HB ILE 24 HB ILE 24 -1.915 1.438 0.028 210 1HG1 ILE 24 2HG1 ILE 24 -0.502 3.882 -1.087 211 2HG1 ILE 24 3HG1 ILE 24 -1.404 3.868 0.427 212 1HG2 ILE 24 1HG2 ILE 24 -1.404 0.414 -2.073 213 2HG2 ILE 24 2HG2 ILE 24 -0.873 1.943 -2.771 214 3HG2 ILE 24 3HG2 ILE 24 0.097 1.159 -1.525 215 1HD1 ILE 24 1HD1 ILE 24 1.095 2.304 -0.249 216 2HD1 ILE 24 2HD1 ILE 24 0.880 3.501 1.027 217 3HD1 ILE 24 3HD1 ILE 24 0.089 1.931 1.149 218 H LYS 25 H LYS 25 -2.352 2.303 -3.776 219 HA LYS 25 HA LYS 25 -4.077 -0.048 -4.151 220 1HB LYS 25 2HB LYS 25 -5.380 1.884 -4.948 221 2HB LYS 25 3HB LYS 25 -4.041 2.359 -5.994 222 1HG LYS 25 2HG LYS 25 -4.215 0.217 -7.206 223 2HG LYS 25 3HG LYS 25 -5.547 -0.272 -6.158 224 1HD LYS 25 2HD LYS 25 -6.970 1.457 -7.004 225 2HD LYS 25 3HD LYS 25 -5.626 2.260 -7.816 226 1HE LYS 25 2HE LYS 25 -6.496 -0.554 -8.511 227 2HE LYS 25 3HE LYS 25 -7.149 0.871 -9.319 228 1HZ LYS 25 1HZ LYS 25 -5.081 -0.317 -10.288 229 2HZ LYS 25 2HZ LYS 25 -4.236 0.537 -9.085 230 3HZ LYS 25 3HZ LYS 25 -5.132 1.377 -10.260 231 HA PRO 26 HA PRO 26 0.068 -0.971 -5.793 232 1HB PRO 26 2HB PRO 26 -0.792 -3.694 -6.148 233 2HB PRO 26 3HB PRO 26 0.350 -3.053 -4.963 234 1HG PRO 26 2HG PRO 26 -2.299 -3.977 -4.523 235 2HG PRO 26 3HG PRO 26 -1.158 -3.314 -3.348 236 1HD PRO 26 2HD PRO 26 -3.540 -2.083 -4.387 237 2HD PRO 26 3HD PRO 26 -2.401 -1.426 -3.196 238 H LEU 27 H LEU 27 0.758 -1.234 -7.916 239 HA LEU 27 HA LEU 27 -0.625 -0.380 -10.020 240 1HB LEU 27 2HB LEU 27 1.823 -1.434 -9.780 241 2HB LEU 27 3HB LEU 27 1.049 -2.739 -10.675 242 HG LEU 27 HG LEU 27 0.254 -1.076 -12.354 243 1HD1 LEU 27 1HD1 LEU 27 1.578 0.770 -10.418 244 2HD1 LEU 27 2HD1 LEU 27 1.752 1.143 -12.132 245 3HD1 LEU 27 3HD1 LEU 27 0.147 1.025 -11.414 246 1HD2 LEU 27 1HD2 LEU 27 2.781 -0.404 -12.999 247 2HD2 LEU 27 2HD2 LEU 27 3.126 -1.617 -11.766 248 3HD2 LEU 27 3HD2 LEU 27 2.167 -2.047 -13.184 249 H ASP 28 H ASP 28 -0.155 -3.904 -10.173 250 HA ASP 28 HA ASP 28 -2.787 -4.105 -11.405 251 1HB ASP 28 2HB ASP 28 -2.157 -6.575 -11.608 252 2HB ASP 28 3HB ASP 28 -1.227 -5.425 -12.569 253 H VAL 29 H VAL 29 -1.408 -6.580 -9.279 254 HA VAL 29 HA VAL 29 -2.515 -7.827 -7.667 255 HB VAL 29 HB VAL 29 -2.734 -4.956 -6.729 256 1HG1 VAL 29 1HG1 VAL 29 -2.958 -6.407 -4.442 257 2HG1 VAL 29 2HG1 VAL 29 -4.346 -5.751 -5.308 258 3HG1 VAL 29 3HG1 VAL 29 -3.872 -7.435 -5.546 259 1HG2 VAL 29 1HG2 VAL 29 -0.959 -7.311 -6.010 260 2HG2 VAL 29 2HG2 VAL 29 -0.474 -5.856 -6.879 261 3HG2 VAL 29 3HG2 VAL 29 -0.930 -5.757 -5.177 262 H ASN 30 H ASN 30 -3.994 -7.934 -9.721 263 HA ASN 30 HA ASN 30 -6.652 -6.834 -9.289 264 1HB ASN 30 2HB ASN 30 -7.032 -8.089 -11.517 265 2HB ASN 30 3HB ASN 30 -5.971 -6.686 -11.525 266 1HD2 ASN 30 2HD2 ASN 30 -4.060 -7.052 -12.620 267 2HD2 ASN 30 1HD2 ASN 30 -3.280 -8.552 -12.757 268 H SER 31 H SER 31 -5.688 -8.829 -7.394 269 HA SER 31 HA SER 31 -7.955 -10.627 -7.489 270 1HB SER 31 2HB SER 31 -5.139 -11.633 -7.852 271 2HB SER 31 3HB SER 31 -6.417 -12.651 -7.189 272 HG SER 31 HG SER 31 -7.612 -12.224 -9.094 273 H ARG 32 H ARG 32 -8.644 -11.009 -5.453 274 HA ARG 32 HA ARG 32 -7.396 -9.848 -3.209 275 1HB ARG 32 2HB ARG 32 -9.710 -10.341 -2.985 276 2HB ARG 32 3HB ARG 32 -9.483 -12.015 -3.483 277 1HG ARG 32 2HG ARG 32 -8.465 -12.619 -1.437 278 2HG ARG 32 3HG ARG 32 -8.128 -10.940 -1.014 279 1HD ARG 32 2HD ARG 32 -10.002 -11.744 0.321 280 2HD ARG 32 3HD ARG 32 -10.572 -10.527 -0.816 281 HE ARG 32 HE ARG 32 -11.148 -12.644 -2.234 282 1HH1 ARG 32 1HH1 ARG 32 -13.246 -11.620 -0.317 283 2HH1 ARG 32 2HH1 ARG 32 -13.686 -13.059 0.542 284 1HH2 ARG 32 1HH2 ARG 32 -10.859 -14.819 -0.466 285 2HH2 ARG 32 2HH2 ARG 32 -12.321 -14.880 0.462 286 H GLU 33 H GLU 33 -6.980 -12.849 -4.877 287 HA GLU 33 HA GLU 33 -5.664 -14.359 -2.880 288 1HB GLU 33 2HB GLU 33 -6.523 -15.125 -5.199 289 2HB GLU 33 3HB GLU 33 -4.988 -14.514 -5.818 290 1HG GLU 33 2HG GLU 33 -4.419 -16.722 -5.359 291 2HG GLU 33 3HG GLU 33 -3.970 -15.945 -3.842 292 H GLU 34 H GLU 34 -4.580 -11.935 -5.190 293 HA GLU 34 HA GLU 34 -1.797 -12.177 -4.344 294 1HB GLU 34 2HB GLU 34 -3.086 -10.213 -6.262 295 2HB GLU 34 3HB GLU 34 -1.356 -10.446 -6.019 296 1HG GLU 34 2HG GLU 34 -3.234 -12.643 -6.939 297 2HG GLU 34 3HG GLU 34 -2.295 -11.639 -8.038 298 H ALA 35 H ALA 35 -4.539 -9.951 -4.054 299 HA ALA 35 HA ALA 35 -3.186 -7.855 -2.725 300 1HB ALA 35 1HB ALA 35 -6.022 -8.435 -1.996 301 2HB ALA 35 2HB ALA 35 -5.264 -6.906 -2.442 302 3HB ALA 35 3HB ALA 35 -5.680 -8.083 -3.690 303 H SER 36 H SER 36 -5.231 -10.453 -1.349 304 HA SER 36 HA SER 36 -4.661 -9.985 1.348 305 1HB SER 36 2HB SER 36 -6.439 -11.505 0.593 306 2HB SER 36 3HB SER 36 -5.229 -12.632 -0.011 307 HG SER 36 HG SER 36 -6.066 -12.115 2.563 308 H LYS 37 H LYS 37 -2.715 -11.390 -1.145 309 HA LYS 37 HA LYS 37 -0.952 -12.909 0.491 310 1HB LYS 37 2HB LYS 37 -1.266 -13.071 -2.044 311 2HB LYS 37 3HB LYS 37 -0.198 -11.673 -2.153 312 1HG LYS 37 2HG LYS 37 1.412 -13.025 -0.650 313 2HG LYS 37 3HG LYS 37 0.422 -14.422 -1.071 314 1HD LYS 37 2HD LYS 37 0.809 -13.952 -3.479 315 2HD LYS 37 3HD LYS 37 1.841 -12.594 -3.034 316 1HE LYS 37 2HE LYS 37 2.313 -15.503 -2.321 317 2HE LYS 37 3HE LYS 37 3.225 -14.559 -3.501 318 1HZ LYS 37 1HZ LYS 37 4.513 -14.435 -1.600 319 2HZ LYS 37 2HZ LYS 37 3.173 -14.301 -0.563 320 3HZ LYS 37 3HZ LYS 37 3.634 -12.987 -1.537 321 H LEU 38 H LEU 38 -0.417 -9.727 -1.108 322 HA LEU 38 HA LEU 38 1.950 -9.305 0.490 323 1HB LEU 38 2HB LEU 38 2.466 -7.611 -0.943 324 2HB LEU 38 3HB LEU 38 1.333 -8.475 -1.972 325 HG LEU 38 HG LEU 38 0.693 -6.061 -0.239 326 1HD1 LEU 38 1HD1 LEU 38 0.874 -6.449 -3.242 327 2HD1 LEU 38 2HD1 LEU 38 0.273 -4.989 -2.451 328 3HD1 LEU 38 3HD1 LEU 38 1.957 -5.476 -2.243 329 1HD2 LEU 38 1HD2 LEU 38 -0.990 -8.055 -1.663 330 2HD2 LEU 38 2HD2 LEU 38 -1.377 -7.043 -0.270 331 3HD2 LEU 38 3HD2 LEU 38 -1.433 -6.365 -1.896 332 H ILE 39 H ILE 39 -1.066 -9.293 1.469 333 HA ILE 39 HA ILE 39 -1.761 -6.888 2.621 334 HB ILE 39 HB ILE 39 -2.908 -9.208 2.763 335 1HG1 ILE 39 2HG1 ILE 39 -3.827 -7.154 3.801 336 2HG1 ILE 39 3HG1 ILE 39 -4.141 -8.580 4.784 337 1HG2 ILE 39 1HG2 ILE 39 -1.354 -9.364 5.352 338 2HG2 ILE 39 2HG2 ILE 39 -2.439 -10.571 4.666 339 3HG2 ILE 39 3HG2 ILE 39 -0.888 -10.245 3.897 340 1HD1 ILE 39 1HD1 ILE 39 -3.349 -7.200 6.439 341 2HD1 ILE 39 2HD1 ILE 39 -1.805 -7.843 5.887 342 3HD1 ILE 39 3HD1 ILE 39 -2.352 -6.261 5.330 343 H GLY 40 H GLY 40 0.618 -9.239 3.690 344 1HA GLY 40 1HA GLY 40 1.566 -7.396 5.788 345 2HA GLY 40 2HA GLY 40 1.916 -9.122 5.710 346 H ARG 41 H ARG 41 2.802 -5.973 4.604 347 HA ARG 41 HA ARG 41 5.417 -6.842 3.816 348 1HB ARG 41 2HB ARG 41 3.776 -7.372 1.829 349 2HB ARG 41 3HB ARG 41 3.883 -5.637 1.537 350 1HG ARG 41 2HG ARG 41 6.293 -5.753 1.327 351 2HG ARG 41 3HG ARG 41 6.299 -7.447 1.819 352 1HD ARG 41 2HD ARG 41 4.935 -6.372 -0.664 353 2HD ARG 41 3HD ARG 41 6.495 -7.185 -0.646 354 HE ARG 41 HE ARG 41 4.286 -8.679 0.533 355 1HH1 ARG 41 1HH2 ARG 41 6.985 -9.030 -1.346 356 2HH1 ARG 41 2HH2 ARG 41 6.274 -10.053 -2.548 357 1HH2 ARG 41 1HH1 ARG 41 3.033 -9.573 -1.425 358 2HH2 ARG 41 2HH1 ARG 41 4.043 -10.363 -2.589 359 H LEU 42 H LEU 42 6.829 -5.127 3.465 360 HA LEU 42 HA LEU 42 5.951 -2.612 4.638 361 1HB LEU 42 2HB LEU 42 8.198 -4.049 4.966 362 2HB LEU 42 3HB LEU 42 8.738 -2.983 3.670 363 HG LEU 42 HG LEU 42 7.735 -1.075 5.127 364 1HD1 LEU 42 1HD1 LEU 42 8.336 -2.926 7.410 365 2HD1 LEU 42 2HD1 LEU 42 7.322 -1.485 7.381 366 3HD1 LEU 42 3HD1 LEU 42 6.739 -2.989 6.668 367 1HD2 LEU 42 1HD2 LEU 42 10.248 -2.640 5.724 368 2HD2 LEU 42 2HD2 LEU 42 10.086 -1.128 4.829 369 3HD2 LEU 42 3HD2 LEU 42 9.879 -1.142 6.581 370 H VAL 43 H VAL 43 5.362 -0.900 3.488 371 HA VAL 43 HA VAL 43 5.956 -0.766 0.607 372 HB VAL 43 HB VAL 43 4.383 1.288 0.813 373 1HG1 VAL 43 1HG1 VAL 43 2.380 -0.424 1.143 374 2HG1 VAL 43 2HG1 VAL 43 3.411 -0.505 -0.288 375 3HG1 VAL 43 3HG1 VAL 43 3.680 -1.615 1.057 376 1HG2 VAL 43 1HG2 VAL 43 3.792 -0.130 3.431 377 2HG2 VAL 43 2HG2 VAL 43 4.510 1.472 3.277 378 3HG2 VAL 43 3HG2 VAL 43 2.852 1.195 2.747 379 H LEU 44 H LEU 44 7.867 0.134 0.146 380 HA LEU 44 HA LEU 44 8.806 2.405 1.791 381 1HB LEU 44 2HB LEU 44 10.314 0.546 -0.060 382 2HB LEU 44 3HB LEU 44 11.026 1.937 0.752 383 HG LEU 44 HG LEU 44 10.162 0.906 2.938 384 1HD1 LEU 44 1HD1 LEU 44 8.724 -0.815 2.533 385 2HD1 LEU 44 2HD1 LEU 44 9.421 -1.166 0.952 386 3HD1 LEU 44 3HD1 LEU 44 10.201 -1.769 2.417 387 1HD2 LEU 44 1HD2 LEU 44 12.405 0.583 2.991 388 2HD2 LEU 44 2HD2 LEU 44 12.070 -1.061 2.444 389 3HD2 LEU 44 3HD2 LEU 44 12.469 0.197 1.273 390 H TRP 45 H TRP 45 7.967 4.174 0.953 391 HA TRP 45 HA TRP 45 7.829 4.609 -1.931 392 1HB TRP 45 2HB TRP 45 5.867 5.247 -0.755 393 2HB TRP 45 3HB TRP 45 6.787 6.074 0.494 394 HD1 TRP 45 HD1 TRP 45 6.246 6.394 -3.332 395 HE1 TRP 45 HE1 TRP 45 6.137 8.906 -3.908 396 HE3 TRP 45 HE3 TRP 45 7.126 8.393 1.280 397 HZ2 TRP 45 HZ2 TRP 45 6.418 11.429 -2.588 398 HZ3 TRP 45 HZ3 TRP 45 7.199 10.848 1.595 399 HH2 TRP 45 HH2 TRP 45 6.846 12.368 -0.332 400 H LYS 46 H LYS 46 9.359 5.615 -3.014 401 HA LYS 46 HA LYS 46 11.563 6.915 -1.644 402 1HB LYS 46 2HB LYS 46 11.513 5.350 -3.820 403 2HB LYS 46 3HB LYS 46 11.354 6.913 -4.619 404 1HG LYS 46 2HG LYS 46 13.350 7.677 -3.213 405 2HG LYS 46 3HG LYS 46 13.577 5.979 -2.794 406 1HD LYS 46 2HD LYS 46 13.489 5.569 -5.366 407 2HD LYS 46 3HD LYS 46 13.805 7.297 -5.495 408 1HE LYS 46 2HE LYS 46 15.572 5.122 -4.430 409 2HE LYS 46 3HE LYS 46 15.976 6.472 -5.489 410 1HZ LYS 46 1HZ LYS 46 15.830 7.975 -3.666 411 2HZ LYS 46 2HZ LYS 46 16.842 6.692 -3.198 412 3HZ LYS 46 3HZ LYS 46 15.243 6.771 -2.631 413 H SER 47 H SER 47 10.634 8.820 -0.802 414 HA SER 47 HA SER 47 9.069 10.628 -2.283 415 1HB SER 47 2HB SER 47 9.224 12.035 -0.454 416 2HB SER 47 3HB SER 47 9.626 10.491 0.287 417 HG SER 47 HG SER 47 11.327 12.594 -0.520 418 HA PRO 48 HA PRO 48 11.985 12.847 -4.719 419 1HB PRO 48 2HB PRO 48 11.095 15.508 -4.047 420 2HB PRO 48 3HB PRO 48 10.661 14.531 -5.458 421 1HG PRO 48 2HG PRO 48 8.941 15.232 -3.428 422 2HG PRO 48 3HG PRO 48 8.706 13.880 -4.544 423 1HD PRO 48 2HD PRO 48 9.678 13.837 -1.713 424 2HD PRO 48 3HD PRO 48 8.688 12.644 -2.589 425 H SER 49 H SER 49 11.703 14.117 -1.429 426 HA SER 49 HA SER 49 14.287 15.450 -1.563 427 1HB SER 49 2HB SER 49 12.488 15.005 0.826 428 2HB SER 49 3HB SER 49 13.839 16.131 0.719 429 HG SER 49 HG SER 49 12.333 17.454 0.061 430 H GLY 50 H GLY 50 14.114 12.517 -1.950 431 1HA GLY 50 1HA GLY 50 15.351 10.659 -1.391 432 2HA GLY 50 2HA GLY 50 16.386 11.737 -0.462 433 H LYS 51 H LYS 51 13.288 12.180 0.632 434 HA LYS 51 HA LYS 51 13.825 10.822 3.105 435 1HB LYS 51 2HB LYS 51 12.497 13.018 2.722 436 2HB LYS 51 3HB LYS 51 11.147 11.959 2.323 437 1HG LYS 51 2HG LYS 51 11.229 10.907 4.493 438 2HG LYS 51 3HG LYS 51 12.739 11.730 4.891 439 1HD LYS 51 2HD LYS 51 11.505 13.925 4.649 440 2HD LYS 51 3HD LYS 51 10.012 12.995 4.511 441 1HE LYS 51 2HE LYS 51 10.496 11.945 6.718 442 2HE LYS 51 3HE LYS 51 11.929 12.965 6.863 443 1HZ LYS 51 1HZ LYS 51 10.525 14.378 7.845 444 2HZ LYS 51 2HZ LYS 51 9.141 13.637 7.198 445 3HZ LYS 51 3HZ LYS 51 10.022 14.758 6.273 446 H ILE 52 H ILE 52 13.961 8.637 2.666 447 HA ILE 52 HA ILE 52 11.816 7.255 1.285 448 HB ILE 52 HB ILE 52 13.946 5.865 2.878 449 1HG1 ILE 52 2HG1 ILE 52 15.205 7.605 1.753 450 2HG1 ILE 52 3HG1 ILE 52 15.448 6.103 0.863 451 1HG2 ILE 52 1HG2 ILE 52 12.204 4.576 1.675 452 2HG2 ILE 52 2HG2 ILE 52 12.690 5.350 0.165 453 3HG2 ILE 52 3HG2 ILE 52 13.810 4.281 1.009 454 1HD1 ILE 52 1HD1 ILE 52 13.526 6.842 -0.652 455 2HD1 ILE 52 2HD1 ILE 52 13.637 8.421 0.123 456 3HD1 ILE 52 3HD1 ILE 52 15.008 7.787 -0.787 457 H LEU 53 H LEU 53 9.930 6.953 2.304 458 HA LEU 53 HA LEU 53 9.948 6.548 5.228 459 1HB LEU 53 2HB LEU 53 7.614 7.147 3.405 460 2HB LEU 53 3HB LEU 53 7.582 7.100 5.167 461 HG LEU 53 HG LEU 53 9.142 9.042 3.434 462 1HD1 LEU 53 1HD1 LEU 53 6.776 9.288 5.302 463 2HD1 LEU 53 2HD1 LEU 53 7.715 10.681 4.768 464 3HD1 LEU 53 3HD1 LEU 53 6.848 9.698 3.588 465 1HD2 LEU 53 1HD2 LEU 53 9.258 8.392 6.372 466 2HD2 LEU 53 2HD2 LEU 53 10.583 8.740 5.258 467 3HD2 LEU 53 3HD2 LEU 53 9.548 10.046 5.835 468 H LYS 54 H LYS 54 9.702 4.628 6.042 469 HA LYS 54 HA LYS 54 8.839 2.395 4.368 470 1HB LYS 54 2HB LYS 54 9.730 2.056 7.201 471 2HB LYS 54 3HB LYS 54 10.035 1.042 5.795 472 1HG LYS 54 2HG LYS 54 11.440 3.020 4.902 473 2HG LYS 54 3HG LYS 54 11.385 3.627 6.554 474 1HD LYS 54 2HD LYS 54 12.171 1.213 7.199 475 2HD LYS 54 3HD LYS 54 12.675 1.118 5.512 476 1HE LYS 54 2HE LYS 54 14.072 3.098 5.770 477 2HE LYS 54 3HE LYS 54 13.491 3.331 7.419 478 1HZ LYS 54 1HZ LYS 54 15.717 2.131 7.040 479 2HZ LYS 54 2HZ LYS 54 14.758 0.790 6.633 480 3HZ LYS 54 3HZ LYS 54 14.631 1.493 8.174 481 H GLY 55 H GLY 55 6.630 2.378 4.284 482 1HA GLY 55 1HA GLY 55 5.110 2.608 6.801 483 2HA GLY 55 2HA GLY 55 4.436 2.739 5.182 484 H LYS 56 H LYS 56 2.899 1.126 6.353 485 HA LYS 56 HA LYS 56 3.629 -1.521 5.409 486 1HB LYS 56 2HB LYS 56 4.414 -1.162 7.892 487 2HB LYS 56 3HB LYS 56 2.703 -1.408 8.255 488 1HG LYS 56 2HG LYS 56 2.721 -3.558 7.114 489 2HG LYS 56 3HG LYS 56 4.384 -3.305 6.586 490 1HD LYS 56 2HD LYS 56 5.151 -3.303 8.914 491 2HD LYS 56 3HD LYS 56 3.490 -3.480 9.482 492 1HE LYS 56 2HE LYS 56 4.513 -5.673 9.499 493 2HE LYS 56 3HE LYS 56 3.347 -5.628 8.175 494 1HZ LYS 56 1HZ LYS 56 5.025 -6.272 6.889 495 2HZ LYS 56 2HZ LYS 56 6.186 -5.961 8.090 496 3HZ LYS 56 3HZ LYS 56 5.665 -4.710 7.066 497 H ILE 57 H ILE 57 1.922 -2.715 4.808 498 HA ILE 57 HA ILE 57 -0.677 -1.477 4.681 499 HB ILE 57 HB ILE 57 0.312 -4.235 3.893 500 1HG1 ILE 57 2HG1 ILE 57 -0.449 -1.851 2.178 501 2HG1 ILE 57 3HG1 ILE 57 1.208 -2.216 2.658 502 1HG2 ILE 57 1HG2 ILE 57 -2.131 -4.208 4.400 503 2HG2 ILE 57 2HG2 ILE 57 -2.331 -2.887 3.252 504 3HG2 ILE 57 3HG2 ILE 57 -1.807 -4.471 2.689 505 1HD1 ILE 57 1HD1 ILE 57 0.523 -3.102 0.376 506 2HD1 ILE 57 2HD1 ILE 57 1.183 -4.308 1.480 507 3HD1 ILE 57 3HD1 ILE 57 -0.559 -4.210 1.217 508 H VAL 58 H VAL 58 -2.418 -1.852 5.980 509 HA VAL 58 HA VAL 58 -1.979 -3.610 8.293 510 HB VAL 58 HB VAL 58 -4.190 -2.394 9.032 511 1HG1 VAL 58 1HG1 VAL 58 -1.901 -2.157 10.025 512 2HG1 VAL 58 2HG1 VAL 58 -1.564 -0.883 8.852 513 3HG1 VAL 58 3HG1 VAL 58 -2.830 -0.658 10.061 514 1HG2 VAL 58 1HG2 VAL 58 -3.080 -0.233 7.245 515 2HG2 VAL 58 2HG2 VAL 58 -4.287 -1.354 6.620 516 3HG2 VAL 58 3HG2 VAL 58 -4.668 -0.336 8.007 517 H ARG 59 H ARG 59 -4.539 -2.890 5.893 518 HA ARG 59 HA ARG 59 -5.262 -5.711 5.837 519 1HB ARG 59 2HB ARG 59 -7.581 -3.892 6.273 520 2HB ARG 59 3HB ARG 59 -7.383 -5.590 6.701 521 1HG ARG 59 2HG ARG 59 -5.925 -4.990 8.568 522 2HG ARG 59 3HG ARG 59 -5.987 -3.289 8.102 523 1HD ARG 59 2HD ARG 59 -7.559 -3.758 9.945 524 2HD ARG 59 3HD ARG 59 -8.414 -3.255 8.490 525 HE ARG 59 HE ARG 59 -8.118 -6.136 8.841 526 1HH1 ARG 59 1HH2 ARG 59 -9.818 -4.097 10.764 527 2HH1 ARG 59 2HH2 ARG 59 -11.405 -4.599 10.283 528 1HH2 ARG 59 1HH1 ARG 59 -10.278 -6.456 7.570 529 2HH2 ARG 59 2HH1 ARG 59 -11.667 -5.947 8.471 530 H VAL 60 H VAL 60 -6.610 -6.271 4.065 531 HA VAL 60 HA VAL 60 -6.187 -4.660 1.733 532 HB VAL 60 HB VAL 60 -6.350 -7.239 1.909 533 1HG1 VAL 60 1HG1 VAL 60 -8.643 -7.042 3.061 534 2HG1 VAL 60 2HG1 VAL 60 -9.283 -6.686 1.458 535 3HG1 VAL 60 3HG1 VAL 60 -8.499 -8.232 1.769 536 1HG2 VAL 60 1HG2 VAL 60 -7.683 -7.206 -0.389 537 2HG2 VAL 60 2HG2 VAL 60 -7.504 -5.460 -0.210 538 3HG2 VAL 60 3HG2 VAL 60 -6.076 -6.492 -0.268 539 H HIS 61 H HIS 61 -7.895 -3.844 0.329 540 HA HIS 61 HA HIS 61 -10.459 -3.288 1.659 541 1HB HIS 61 2HB HIS 61 -9.025 -1.346 2.130 542 2HB HIS 61 3HB HIS 61 -8.700 -1.161 0.407 543 HD1 HIS 61 HD1 HIS 61 -9.917 1.045 0.035 544 HD2 HIS 61 HD2 HIS 61 -12.330 -1.834 1.843 545 HE1 HIS 61 HE1 HIS 61 -12.273 1.972 0.019 546 H GLY 62 H GLY 62 -12.172 -3.349 0.319 547 1HA GLY 62 1HA GLY 62 -13.406 -3.405 -1.631 548 2HA GLY 62 2HA GLY 62 -11.990 -2.808 -2.490 549 H THR 63 H THR 63 -10.551 -5.212 -1.097 550 HA THR 63 HA THR 63 -9.815 -7.280 -1.746 551 HB THR 63 HB THR 63 -11.520 -8.972 -2.252 552 HG1 THR 63 HG1 THR 63 -13.292 -8.368 -3.142 553 1HG2 THR 63 1HG2 THR 63 -12.796 -8.763 -0.173 554 2HG2 THR 63 2HG2 THR 63 -11.125 -8.267 0.089 555 3HG2 THR 63 3HG2 THR 63 -12.390 -7.050 -0.076 556 H LYS 64 H LYS 64 -8.937 -8.322 -3.510 557 HA LYS 64 HA LYS 64 -8.227 -8.545 -5.684 558 1HB LYS 64 2HB LYS 64 -10.397 -9.539 -6.039 559 2HB LYS 64 3HB LYS 64 -11.170 -7.962 -6.114 560 1HG LYS 64 2HG LYS 64 -10.443 -7.548 -8.255 561 2HG LYS 64 3HG LYS 64 -8.974 -8.502 -8.060 562 1HD LYS 64 2HD LYS 64 -10.424 -9.706 -9.570 563 2HD LYS 64 3HD LYS 64 -10.419 -10.572 -8.035 564 1HE LYS 64 2HE LYS 64 -12.703 -10.485 -8.476 565 2HE LYS 64 3HE LYS 64 -12.501 -9.022 -7.511 566 1HZ LYS 64 1HZ LYS 64 -12.634 -9.230 -10.465 567 2HZ LYS 64 2HZ LYS 64 -12.167 -7.815 -9.651 568 3HZ LYS 64 3HZ LYS 64 -13.729 -8.447 -9.436 569 H GLY 65 H GLY 65 -8.450 -5.759 -4.291 570 1HA GLY 65 1HA GLY 65 -7.665 -4.267 -6.664 571 2HA GLY 65 2HA GLY 65 -9.017 -3.656 -5.729 572 H ALA 66 H ALA 66 -8.431 -2.036 -4.593 573 HA ALA 66 HA ALA 66 -5.778 -1.402 -3.813 574 1HB ALA 66 1HB ALA 66 -7.557 0.263 -4.272 575 2HB ALA 66 2HB ALA 66 -8.373 -0.243 -2.794 576 3HB ALA 66 3HB ALA 66 -6.779 0.505 -2.709 577 H VAL 67 H VAL 67 -5.581 -0.550 -1.389 578 HA VAL 67 HA VAL 67 -6.612 -2.432 0.583 579 HB VAL 67 HB VAL 67 -4.461 -3.239 1.303 580 1HG1 VAL 67 1HG1 VAL 67 -5.517 -4.390 -0.671 581 2HG1 VAL 67 2HG1 VAL 67 -4.480 -3.426 -1.724 582 3HG1 VAL 67 3HG1 VAL 67 -3.767 -4.572 -0.590 583 1HG2 VAL 67 1HG2 VAL 67 -2.434 -2.570 -0.217 584 2HG2 VAL 67 2HG2 VAL 67 -3.432 -1.181 -0.645 585 3HG2 VAL 67 3HG2 VAL 67 -2.965 -1.450 1.036 586 H ARG 68 H ARG 68 -5.879 -1.832 2.791 587 HA ARG 68 HA ARG 68 -5.716 1.079 3.046 588 1HB ARG 68 2HB ARG 68 -7.356 -0.208 4.397 589 2HB ARG 68 3HB ARG 68 -6.019 -1.061 5.170 590 1HG ARG 68 2HG ARG 68 -5.147 1.036 6.069 591 2HG ARG 68 3HG ARG 68 -6.390 1.948 5.216 592 1HD ARG 68 2HD ARG 68 -8.115 1.123 6.592 593 2HD ARG 68 3HD ARG 68 -7.140 -0.231 7.154 594 HE ARG 68 HE ARG 68 -6.044 2.334 7.890 595 1HH1 ARG 68 1HH2 ARG 68 -9.000 0.915 8.629 596 2HH1 ARG 68 2HH2 ARG 68 -8.739 0.821 10.339 597 1HH2 ARG 68 1HH1 ARG 68 -5.399 1.748 10.142 598 2HH2 ARG 68 2HH1 ARG 68 -6.696 1.293 11.197 599 H ALA 69 H ALA 69 -4.086 2.100 4.381 600 HA ALA 69 HA ALA 69 -1.757 0.481 5.102 601 1HB ALA 69 1HB ALA 69 -1.101 0.967 2.894 602 2HB ALA 69 2HB ALA 69 -1.748 2.604 2.968 603 3HB ALA 69 3HB ALA 69 -0.287 2.193 3.865 604 H ARG 70 H ARG 70 -0.229 1.599 6.432 605 HA ARG 70 HA ARG 70 -0.967 4.236 7.438 606 1HB ARG 70 2HB ARG 70 -2.124 2.232 8.748 607 2HB ARG 70 3HB ARG 70 -0.540 2.136 9.521 608 1HG ARG 70 2HG ARG 70 -0.786 4.721 9.805 609 2HG ARG 70 3HG ARG 70 -2.501 4.426 9.516 610 1HD ARG 70 2HD ARG 70 -0.788 3.256 11.722 611 2HD ARG 70 3HD ARG 70 -2.146 4.363 11.900 612 HE ARG 70 HE ARG 70 -2.946 1.955 10.581 613 1HH1 ARG 70 1HH2 ARG 70 -1.531 2.626 13.611 614 2HH1 ARG 70 2HH2 ARG 70 -2.748 1.818 14.539 615 1HH2 ARG 70 1HH1 ARG 70 -4.794 1.189 11.817 616 2HH2 ARG 70 2HH1 ARG 70 -4.589 1.004 13.527 617 H PHE 71 H PHE 71 0.847 5.366 7.578 618 HA PHE 71 HA PHE 71 3.419 3.961 7.781 619 1HB PHE 71 2HB PHE 71 2.583 6.705 6.868 620 2HB PHE 71 3HB PHE 71 4.254 6.389 7.321 621 HD1 PHE 71 HD1 PHE 71 1.613 4.484 5.427 622 HD2 PHE 71 HD2 PHE 71 5.622 6.031 5.481 623 HE1 PHE 71 HE1 PHE 71 2.032 3.484 3.198 624 HE2 PHE 71 HE2 PHE 71 6.038 5.029 3.253 625 HZ PHE 71 HZ PHE 71 4.242 3.754 2.112 626 H GLU 72 H GLU 72 3.953 3.593 9.868 627 HA GLU 72 HA GLU 72 3.115 4.906 12.140 628 1HB GLU 72 2HB GLU 72 5.212 4.060 13.202 629 2HB GLU 72 3HB GLU 72 4.360 2.831 12.269 630 1HG GLU 72 2HG GLU 72 5.868 3.344 10.326 631 2HG GLU 72 3HG GLU 72 6.779 4.425 11.375 632 H LYS 73 H LYS 73 5.451 5.937 9.783 633 HA LYS 73 HA LYS 73 6.611 7.997 11.453 634 1HB LYS 73 2HB LYS 73 6.896 7.136 8.590 635 2HB LYS 73 3HB LYS 73 7.531 8.696 9.109 636 1HG LYS 73 2HG LYS 73 8.786 7.513 10.935 637 2HG LYS 73 3HG LYS 73 8.248 5.980 10.249 638 1HD LYS 73 2HD LYS 73 9.408 6.403 8.182 639 2HD LYS 73 3HD LYS 73 9.765 8.065 8.659 640 1HE LYS 73 2HE LYS 73 10.912 6.849 10.733 641 2HE LYS 73 3HE LYS 73 11.021 5.514 9.588 642 1HZ LYS 73 1HZ LYS 73 11.772 7.829 8.239 643 2HZ LYS 73 2HZ LYS 73 12.753 6.510 8.676 644 3HZ LYS 73 3HZ LYS 73 12.594 7.839 9.723 645 H GLY 74 H GLY 74 5.227 8.399 8.217 646 1HA GLY 74 1HA GLY 74 3.012 9.656 8.134 647 2HA GLY 74 2HA GLY 74 3.822 10.822 9.172 648 H LEU 75 H LEU 75 2.725 10.843 6.308 649 HA LEU 75 HA LEU 75 5.139 11.572 4.807 650 1HB LEU 75 2HB LEU 75 2.471 11.892 3.556 651 2HB LEU 75 3HB LEU 75 3.952 11.199 2.897 652 HG LEU 75 HG LEU 75 2.165 9.831 4.936 653 1HD1 LEU 75 1HD1 LEU 75 2.550 8.966 2.080 654 2HD1 LEU 75 2HD1 LEU 75 1.237 8.574 3.190 655 3HD1 LEU 75 3HD1 LEU 75 1.338 10.184 2.476 656 1HD2 LEU 75 1HD2 LEU 75 4.349 8.966 5.218 657 2HD2 LEU 75 2HD2 LEU 75 3.599 7.838 4.090 658 3HD2 LEU 75 3HD2 LEU 75 4.707 9.073 3.494 659 HA PRO 76 HA PRO 76 4.823 15.906 5.459 660 1HB PRO 76 2HB PRO 76 5.084 16.646 2.687 661 2HB PRO 76 3HB PRO 76 6.317 16.683 3.953 662 1HG PRO 76 2HG PRO 76 5.989 14.813 1.794 663 2HG PRO 76 3HG PRO 76 7.325 14.976 2.938 664 1HD PRO 76 2HD PRO 76 5.445 12.881 2.863 665 2HD PRO 76 3HD PRO 76 6.586 13.221 4.179 666 H GLY 77 H GLY 77 3.545 15.833 2.165 667 1HA GLY 77 1HA GLY 77 0.807 15.777 2.621 668 2HA GLY 77 2HA GLY 77 1.297 17.458 2.806 669 H GLN 78 H GLN 78 3.468 16.113 0.739 670 HA GLN 78 HA GLN 78 2.090 17.225 -1.607 671 1HB GLN 78 2HB GLN 78 4.261 17.366 -2.622 672 2HB GLN 78 3HB GLN 78 4.422 17.965 -0.973 673 1HG GLN 78 2HG GLN 78 6.252 16.515 -1.137 674 2HG GLN 78 3HG GLN 78 5.031 15.484 -0.395 675 1HE2 GLN 78 2HE2 GLN 78 5.203 16.455 -3.850 676 2HE2 GLN 78 1HE2 GLN 78 5.412 14.876 -4.437 677 H ALA 79 H ALA 79 3.115 14.232 -0.229 678 HA ALA 79 HA ALA 79 3.053 12.755 -2.724 679 1HB ALA 79 1HB ALA 79 4.037 11.077 -1.558 680 2HB ALA 79 2HB ALA 79 4.347 12.344 -0.370 681 3HB ALA 79 3HB ALA 79 2.964 11.269 -0.172 682 H LEU 80 H LEU 80 0.639 14.132 -2.216 683 HA LEU 80 HA LEU 80 -1.330 12.387 -1.082 684 1HB LEU 80 2HB LEU 80 -1.462 14.937 -1.370 685 2HB LEU 80 3HB LEU 80 -1.863 14.608 -3.054 686 HG LEU 80 HG LEU 80 -3.617 12.935 -1.945 687 1HD1 LEU 80 1HD1 LEU 80 -2.692 13.568 0.363 688 2HD1 LEU 80 2HD1 LEU 80 -3.486 15.126 0.135 689 3HD1 LEU 80 3HD1 LEU 80 -4.443 13.645 0.171 690 1HD2 LEU 80 1HD2 LEU 80 -5.278 14.809 -1.998 691 2HD2 LEU 80 2HD2 LEU 80 -3.937 15.946 -2.135 692 3HD2 LEU 80 3HD2 LEU 80 -4.236 14.774 -3.419 693 H GLY 81 H GLY 81 0.180 12.700 -4.191 694 1HA GLY 81 1HA GLY 81 -1.541 10.531 -5.211 695 2HA GLY 81 2HA GLY 81 -1.261 11.961 -6.196 696 H ASP 82 H ASP 82 1.438 11.055 -4.261 697 HA ASP 82 HA ASP 82 3.009 10.463 -6.578 698 1HB ASP 82 2HB ASP 82 3.825 11.548 -4.434 699 2HB ASP 82 3HB ASP 82 3.737 9.957 -3.687 700 H TYR 83 H TYR 83 3.783 8.493 -7.270 701 HA TYR 83 HA TYR 83 2.174 6.201 -6.742 702 1HB TYR 83 2HB TYR 83 4.604 6.819 -8.366 703 2HB TYR 83 3HB TYR 83 4.237 5.127 -8.033 704 HD1 TYR 83 HD1 TYR 83 3.409 4.296 -10.099 705 HD2 TYR 83 HD2 TYR 83 1.870 7.985 -8.518 706 HE1 TYR 83 HE1 TYR 83 1.663 4.325 -11.860 707 HE2 TYR 83 HE2 TYR 83 0.124 8.012 -10.279 708 HH TYR 83 HH TYR 83 -0.181 5.331 -12.605 709 H VAL 84 H VAL 84 2.481 4.554 -5.322 710 HA VAL 84 HA VAL 84 4.792 4.780 -3.518 711 HB VAL 84 HB VAL 84 3.561 3.252 -2.042 712 1HG1 VAL 84 1HG1 VAL 84 2.200 5.729 -3.075 713 2HG1 VAL 84 2HG1 VAL 84 1.456 4.776 -1.790 714 3HG1 VAL 84 3HG1 VAL 84 3.053 5.485 -1.551 715 1HG2 VAL 84 1HG2 VAL 84 1.649 3.191 -4.375 716 2HG2 VAL 84 2HG2 VAL 84 2.332 1.836 -3.476 717 3HG2 VAL 84 3HG2 VAL 84 1.095 2.852 -2.738 718 H GLU 85 H GLU 85 5.987 2.868 -2.949 719 HA GLU 85 HA GLU 85 5.757 0.587 -4.755 720 1HB GLU 85 2HB GLU 85 8.438 1.941 -4.472 721 2HB GLU 85 3HB GLU 85 7.951 0.710 -5.627 722 1HG GLU 85 2HG GLU 85 7.925 2.621 -6.950 723 2HG GLU 85 3HG GLU 85 6.245 2.520 -6.452 724 H ILE 86 H ILE 86 6.937 -1.243 -4.030 725 HA ILE 86 HA ILE 86 7.516 -1.128 -1.144 726 HB ILE 86 HB ILE 86 7.048 -3.523 -2.951 727 1HG1 ILE 86 2HG1 ILE 86 4.959 -3.511 -1.232 728 2HG1 ILE 86 3HG1 ILE 86 5.248 -1.775 -1.338 729 1HG2 ILE 86 1HG2 ILE 86 6.598 -4.072 -0.191 730 2HG2 ILE 86 2HG2 ILE 86 7.842 -4.748 -1.242 731 3HG2 ILE 86 3HG2 ILE 86 8.169 -3.281 -0.319 732 1HD1 ILE 86 1HD1 ILE 86 4.566 -3.700 -3.566 733 2HD1 ILE 86 2HD1 ILE 86 3.716 -2.229 -3.092 734 3HD1 ILE 86 3HD1 ILE 86 5.280 -2.122 -3.898 735 H VAL 87 H VAL 87 9.537 0.045 -1.849 736 HA VAL 87 HA VAL 87 11.518 -1.686 -3.132 737 HB VAL 87 HB VAL 87 12.277 0.978 -2.019 738 1HG1 VAL 87 1HG1 VAL 87 13.684 1.031 -3.933 739 2HG1 VAL 87 2HG1 VAL 87 13.729 -0.651 -3.410 740 3HG1 VAL 87 3HG1 VAL 87 12.721 -0.181 -4.776 741 1HG2 VAL 87 1HG2 VAL 87 10.528 0.607 -4.478 742 2HG2 VAL 87 2HG2 VAL 87 10.020 1.371 -2.975 743 3HG2 VAL 87 3HG2 VAL 87 11.270 2.122 -3.963 Start of MODEL 5 1 1H MET 1 1HT MET 1 12.285 -7.356 -11.536 2 2H MET 1 2HT MET 1 10.987 -6.276 -11.732 3 3H MET 1 3HT MET 1 11.023 -7.333 -10.403 4 HA MET 1 HA MET 1 13.253 -6.152 -9.868 5 1HB MET 1 2HB MET 1 11.766 -3.940 -11.303 6 2HB MET 1 3HB MET 1 13.409 -3.907 -10.658 7 1HG MET 1 2HG MET 1 12.437 -5.584 -12.993 8 2HG MET 1 3HG MET 1 13.484 -4.167 -13.092 9 1HE MET 1 1HE MET 1 14.261 -6.421 -14.544 10 2HE MET 1 2HE MET 1 13.731 -7.800 -13.583 11 3HE MET 1 3HE MET 1 15.448 -7.563 -13.898 12 H ARG 2 H ARG 2 11.973 -3.369 -9.308 13 HA ARG 2 HA ARG 2 10.644 -4.215 -6.867 14 1HB ARG 2 2HB ARG 2 10.622 -1.815 -6.312 15 2HB ARG 2 3HB ARG 2 12.235 -2.351 -6.781 16 1HG ARG 2 2HG ARG 2 11.984 -1.401 -8.990 17 2HG ARG 2 3HG ARG 2 10.282 -1.042 -8.699 18 1HD ARG 2 2HD ARG 2 10.805 0.637 -7.091 19 2HD ARG 2 3HD ARG 2 12.480 0.109 -6.973 20 HE ARG 2 HE ARG 2 11.573 1.111 -9.576 21 1HH1 ARG 2 1HH1 ARG 2 11.636 3.392 -7.621 22 2HH1 ARG 2 2HH1 ARG 2 13.267 3.958 -7.759 23 1HH2 ARG 2 1HH2 ARG 2 14.412 1.090 -9.330 24 2HH2 ARG 2 2HH2 ARG 2 14.836 2.657 -8.727 25 H ILE 3 H ILE 3 8.596 -3.113 -6.206 26 HA ILE 3 HA ILE 3 6.693 -3.202 -8.459 27 HB ILE 3 HB ILE 3 6.059 -3.262 -5.500 28 1HG1 ILE 3 2HG1 ILE 3 5.673 -5.816 -6.345 29 2HG1 ILE 3 3HG1 ILE 3 7.050 -5.370 -7.354 30 1HG2 ILE 3 1HG2 ILE 3 3.995 -4.447 -6.457 31 2HG2 ILE 3 2HG2 ILE 3 4.113 -2.719 -6.775 32 3HG2 ILE 3 3HG2 ILE 3 4.526 -3.875 -8.039 33 1HD1 ILE 3 1HD1 ILE 3 8.151 -6.124 -5.456 34 2HD1 ILE 3 2HD1 ILE 3 7.991 -4.412 -5.067 35 3HD1 ILE 3 3HD1 ILE 3 6.870 -5.583 -4.370 36 H LYS 4 H LYS 4 4.835 -1.662 -8.352 37 HA LYS 4 HA LYS 4 5.373 0.843 -6.957 38 1HB LYS 4 2HB LYS 4 4.982 2.026 -9.264 39 2HB LYS 4 3HB LYS 4 6.592 1.449 -8.833 40 1HG LYS 4 2HG LYS 4 6.495 -0.345 -10.306 41 2HG LYS 4 3HG LYS 4 4.734 -0.429 -10.255 42 1HD LYS 4 2HD LYS 4 5.409 0.437 -12.425 43 2HD LYS 4 3HD LYS 4 4.643 1.737 -11.509 44 1HE LYS 4 2HE LYS 4 6.842 2.614 -10.871 45 2HE LYS 4 3HE LYS 4 7.638 1.285 -11.715 46 1HZ LYS 4 1HZ LYS 4 5.722 2.906 -13.215 47 2HZ LYS 4 2HZ LYS 4 7.148 2.147 -13.740 48 3HZ LYS 4 3HZ LYS 4 7.229 3.599 -12.864 49 H GLY 5 H GLY 5 3.527 1.183 -5.981 50 1HA GLY 5 1HA GLY 5 0.964 0.639 -7.322 51 2HA GLY 5 2HA GLY 5 1.192 0.896 -5.592 52 H VAL 6 H VAL 6 -0.751 2.394 -6.316 53 HA VAL 6 HA VAL 6 0.391 5.093 -6.578 54 HB VAL 6 HB VAL 6 -2.004 4.177 -8.186 55 1HG1 VAL 6 1HG1 VAL 6 -1.618 6.398 -9.307 56 2HG1 VAL 6 2HG1 VAL 6 -2.107 6.532 -7.619 57 3HG1 VAL 6 3HG1 VAL 6 -0.416 6.759 -8.068 58 1HG2 VAL 6 1HG2 VAL 6 0.004 3.151 -9.108 59 2HG2 VAL 6 2HG2 VAL 6 -0.466 4.497 -10.144 60 3HG2 VAL 6 3HG2 VAL 6 0.872 4.682 -9.011 61 H VAL 7 H VAL 7 -0.521 6.542 -5.265 62 HA VAL 7 HA VAL 7 -2.557 5.688 -3.391 63 HB VAL 7 HB VAL 7 -0.964 8.234 -3.748 64 1HG1 VAL 7 1HG1 VAL 7 -3.179 7.591 -1.783 65 2HG1 VAL 7 2HG1 VAL 7 -1.982 8.855 -1.498 66 3HG1 VAL 7 3HG1 VAL 7 -3.075 8.971 -2.877 67 1HG2 VAL 7 1HG2 VAL 7 0.107 7.528 -1.692 68 2HG2 VAL 7 2HG2 VAL 7 -1.039 6.203 -1.495 69 3HG2 VAL 7 3HG2 VAL 7 0.132 6.167 -2.813 70 H LEU 8 H LEU 8 -4.621 6.644 -3.143 71 HA LEU 8 HA LEU 8 -5.551 8.236 -5.454 72 1HB LEU 8 2HB LEU 8 -7.814 6.915 -4.659 73 2HB LEU 8 3HB LEU 8 -6.787 6.432 -6.006 74 HG LEU 8 HG LEU 8 -6.070 5.496 -3.244 75 1HD1 LEU 8 1HD1 LEU 8 -8.170 4.206 -5.014 76 2HD1 LEU 8 2HD1 LEU 8 -7.548 3.553 -3.498 77 3HD1 LEU 8 3HD1 LEU 8 -8.500 5.039 -3.494 78 1HD2 LEU 8 1HD2 LEU 8 -4.796 5.148 -5.536 79 2HD2 LEU 8 2HD2 LEU 8 -4.932 3.810 -4.395 80 3HD2 LEU 8 3HD2 LEU 8 -6.010 3.893 -5.787 81 H SER 9 H SER 9 -5.562 7.775 -2.004 82 HA SER 9 HA SER 9 -6.656 10.402 -1.612 83 1HB SER 9 2HB SER 9 -8.768 9.308 -2.003 84 2HB SER 9 3HB SER 9 -8.357 8.008 -0.887 85 HG SER 9 HG SER 9 -8.272 9.615 0.770 86 H TYR 10 H TYR 10 -6.420 11.186 0.448 87 HA TYR 10 HA TYR 10 -4.807 9.514 2.273 88 1HB TYR 10 2HB TYR 10 -4.012 11.818 1.244 89 2HB TYR 10 3HB TYR 10 -5.008 12.493 2.535 90 HD1 TYR 10 HD1 TYR 10 -2.159 10.198 1.827 91 HD2 TYR 10 HD2 TYR 10 -4.299 12.428 4.813 92 HE1 TYR 10 HE1 TYR 10 -0.360 9.730 3.470 93 HE2 TYR 10 HE2 TYR 10 -2.502 11.960 6.453 94 HH TYR 10 HH TYR 10 -0.230 9.599 6.059 95 H ARG 11 H ARG 11 -5.135 9.980 4.622 96 HA ARG 11 HA ARG 11 -7.722 11.078 5.378 97 1HB ARG 11 2HB ARG 11 -8.419 8.843 4.850 98 2HB ARG 11 3HB ARG 11 -7.052 8.146 5.721 99 1HG ARG 11 2HG ARG 11 -7.970 8.594 7.805 100 2HG ARG 11 3HG ARG 11 -8.908 9.965 7.213 101 1HD ARG 11 2HD ARG 11 -10.088 7.661 7.806 102 2HD ARG 11 3HD ARG 11 -10.635 8.637 6.448 103 HE ARG 11 HE ARG 11 -8.639 6.852 5.544 104 1HH1 ARG 11 1HH1 ARG 11 -10.405 5.148 7.419 105 2HH1 ARG 11 2HH1 ARG 11 -11.537 4.488 6.288 106 1HH2 ARG 11 1HH2 ARG 11 -10.752 6.741 3.775 107 2HH2 ARG 11 2HH2 ARG 11 -11.734 5.387 4.228 108 H ARG 12 H ARG 12 -7.130 12.413 6.936 109 HA ARG 12 HA ARG 12 -4.844 11.957 8.628 110 1HB ARG 12 2HB ARG 12 -5.725 14.079 9.761 111 2HB ARG 12 3HB ARG 12 -5.267 14.228 8.065 112 1HG ARG 12 2HG ARG 12 -7.481 14.337 7.333 113 2HG ARG 12 3HG ARG 12 -8.103 13.523 8.770 114 1HD ARG 12 2HD ARG 12 -6.737 16.163 9.113 115 2HD ARG 12 3HD ARG 12 -8.375 16.147 8.467 116 HE ARG 12 HE ARG 12 -8.075 14.547 10.852 117 1HH1 ARG 12 1HH1 ARG 12 -8.079 17.843 9.871 118 2HH1 ARG 12 2HH1 ARG 12 -9.131 18.375 11.139 119 1HH2 ARG 12 1HH2 ARG 12 -9.687 15.190 12.384 120 2HH2 ARG 12 2HH2 ARG 12 -10.033 16.878 12.563 121 H SER 13 H SER 13 -6.102 9.790 9.121 122 HA SER 13 HA SER 13 -6.939 8.453 10.783 123 1HB SER 13 2HB SER 13 -6.299 9.062 12.853 124 2HB SER 13 3HB SER 13 -5.720 10.557 12.129 125 HG SER 13 HG SER 13 -7.974 10.051 13.655 126 H LYS 14 H LYS 14 -8.895 8.258 12.307 127 HA LYS 14 HA LYS 14 -11.116 10.003 11.954 128 1HB LYS 14 2HB LYS 14 -10.878 8.849 9.664 129 2HB LYS 14 3HB LYS 14 -11.414 7.384 10.485 130 1HG LYS 14 2HG LYS 14 -13.307 9.060 11.387 131 2HG LYS 14 3HG LYS 14 -12.928 9.883 9.875 132 1HD LYS 14 2HD LYS 14 -13.248 7.704 8.671 133 2HD LYS 14 3HD LYS 14 -13.780 6.989 10.192 134 1HE LYS 14 2HE LYS 14 -15.119 9.146 8.565 135 2HE LYS 14 3HE LYS 14 -15.796 7.624 9.144 136 1HZ LYS 14 1HZ LYS 14 -15.135 10.042 10.720 137 2HZ LYS 14 2HZ LYS 14 -15.420 8.531 11.447 138 3HZ LYS 14 3HZ LYS 14 -16.645 9.287 10.546 139 H GLU 15 H GLU 15 -10.030 9.032 14.214 140 HA GLU 15 HA GLU 15 -12.228 7.630 15.416 141 1HB GLU 15 2HB GLU 15 -10.585 5.871 14.300 142 2HB GLU 15 3HB GLU 15 -9.639 6.171 15.758 143 1HG GLU 15 2HG GLU 15 -11.723 5.727 17.107 144 2HG GLU 15 3HG GLU 15 -12.518 5.233 15.613 145 H ASN 16 H ASN 16 -8.729 8.073 16.003 146 HA ASN 16 HA ASN 16 -9.243 9.975 18.136 147 1HB ASN 16 2HB ASN 16 -7.807 7.396 18.804 148 2HB ASN 16 3HB ASN 16 -8.188 8.718 19.903 149 1HD2 ASN 16 2HD2 ASN 16 -10.597 9.133 20.259 150 2HD2 ASN 16 1HD2 ASN 16 -11.654 7.808 20.177 151 H GLN 17 H GLN 17 -6.757 9.878 19.370 152 HA GLN 17 HA GLN 17 -4.766 11.041 19.042 153 1HB GLN 17 2HB GLN 17 -4.525 8.517 17.397 154 2HB GLN 17 3HB GLN 17 -3.158 9.588 17.709 155 1HG GLN 17 2HG GLN 17 -4.881 8.393 19.896 156 2HG GLN 17 3HG GLN 17 -3.375 7.669 19.340 157 1HE2 GLN 17 2HE2 GLN 17 -1.961 10.222 18.922 158 2HE2 GLN 17 1HE2 GLN 17 -1.664 10.866 20.464 159 H HIS 18 H HIS 18 -3.952 9.867 15.987 160 HA HIS 18 HA HIS 18 -5.220 11.730 14.275 161 1HB HIS 18 2HB HIS 18 -3.579 13.169 15.762 162 2HB HIS 18 3HB HIS 18 -2.340 12.475 14.718 163 HD1 HIS 18 HD1 HIS 18 -5.853 13.712 13.872 164 HD2 HIS 18 HD2 HIS 18 -1.887 14.422 12.805 165 HE1 HIS 18 HE1 HIS 18 -5.910 15.410 11.993 166 H ASN 19 H ASN 19 -4.275 8.965 14.675 167 HA ASN 19 HA ASN 19 -2.152 8.059 13.325 168 1HB ASN 19 2HB ASN 19 -4.962 7.061 13.495 169 2HB ASN 19 3HB ASN 19 -3.838 6.234 12.419 170 1HD2 ASN 19 2HD2 ASN 19 -2.460 7.754 15.253 171 2HD2 ASN 19 1HD2 ASN 19 -2.207 6.325 16.132 172 H ASN 20 H ASN 20 -1.277 8.401 11.388 173 HA ASN 20 HA ASN 20 -2.793 9.710 9.298 174 1HB ASN 20 2HB ASN 20 -0.094 8.676 8.662 175 2HB ASN 20 3HB ASN 20 -0.778 10.278 8.408 176 1HD2 ASN 20 2HD2 ASN 20 -1.514 10.894 11.122 177 2HD2 ASN 20 1HD2 ASN 20 -0.089 11.025 12.034 178 H VAL 21 H VAL 21 -4.236 8.428 8.296 179 HA VAL 21 HA VAL 21 -3.353 5.769 7.347 180 HB VAL 21 HB VAL 21 -6.187 6.812 7.587 181 1HG1 VAL 21 1HG1 VAL 21 -6.213 5.016 6.071 182 2HG1 VAL 21 2HG1 VAL 21 -4.915 4.167 6.908 183 3HG1 VAL 21 3HG1 VAL 21 -6.531 4.222 7.613 184 1HG2 VAL 21 1HG2 VAL 21 -6.354 5.579 9.656 185 2HG2 VAL 21 2HG2 VAL 21 -4.730 4.919 9.457 186 3HG2 VAL 21 3HG2 VAL 21 -4.951 6.637 9.792 187 H MET 22 H MET 22 -3.638 5.200 5.186 188 HA MET 22 HA MET 22 -4.766 7.151 3.338 189 1HB MET 22 2HB MET 22 -2.733 7.239 1.948 190 2HB MET 22 3HB MET 22 -2.454 7.911 3.554 191 1HG MET 22 2HG MET 22 -0.802 6.427 3.913 192 2HG MET 22 3HG MET 22 -1.914 5.087 3.634 193 1HE MET 22 1HE MET 22 1.185 6.954 2.342 194 2HE MET 22 2HE MET 22 -0.171 7.984 1.891 195 3HE MET 22 3HE MET 22 0.805 7.225 0.636 196 H ILE 23 H ILE 23 -5.325 6.294 1.330 197 HA ILE 23 HA ILE 23 -5.512 3.370 1.272 198 HB ILE 23 HB ILE 23 -6.690 5.251 -0.765 199 1HG1 ILE 23 2HG1 ILE 23 -7.422 6.162 1.351 200 2HG1 ILE 23 3HG1 ILE 23 -8.758 5.223 0.687 201 1HG2 ILE 23 1HG2 ILE 23 -7.505 2.539 0.328 202 2HG2 ILE 23 2HG2 ILE 23 -8.388 3.447 -0.897 203 3HG2 ILE 23 3HG2 ILE 23 -6.769 2.846 -1.244 204 1HD1 ILE 23 1HD1 ILE 23 -7.693 3.260 2.091 205 2HD1 ILE 23 2HD1 ILE 23 -6.963 4.579 3.005 206 3HD1 ILE 23 3HD1 ILE 23 -8.717 4.454 2.887 207 H ILE 24 H ILE 24 -4.585 2.094 -0.280 208 HA ILE 24 HA ILE 24 -2.889 3.423 -2.302 209 HB ILE 24 HB ILE 24 -2.141 1.113 -0.495 210 1HG1 ILE 24 2HG1 ILE 24 -0.789 3.792 -0.941 211 2HG1 ILE 24 3HG1 ILE 24 -1.932 3.488 0.365 212 1HG2 ILE 24 1HG2 ILE 24 -0.864 2.202 -3.010 213 2HG2 ILE 24 2HG2 ILE 24 0.078 1.340 -1.794 214 3HG2 ILE 24 3HG2 ILE 24 -1.251 0.526 -2.617 215 1HD1 ILE 24 1HD1 ILE 24 0.676 2.017 -0.100 216 2HD1 ILE 24 2HD1 ILE 24 0.352 3.181 1.184 217 3HD1 ILE 24 3HD1 ILE 24 -0.487 1.631 1.170 218 H LYS 25 H LYS 25 -2.448 2.173 -4.176 219 HA LYS 25 HA LYS 25 -4.148 -0.194 -4.595 220 1HB LYS 25 2HB LYS 25 -5.337 1.802 -5.475 221 2HB LYS 25 3HB LYS 25 -3.954 2.141 -6.515 222 1HG LYS 25 2HG LYS 25 -4.457 -0.515 -7.071 223 2HG LYS 25 3HG LYS 25 -6.079 0.124 -6.818 224 1HD LYS 25 2HD LYS 25 -4.010 1.317 -8.692 225 2HD LYS 25 3HD LYS 25 -5.372 0.315 -9.191 226 1HE LYS 25 2HE LYS 25 -6.541 2.245 -9.368 227 2HE LYS 25 3HE LYS 25 -6.559 2.272 -7.605 228 1HZ LYS 25 1HZ LYS 25 -4.965 3.826 -9.469 229 2HZ LYS 25 2HZ LYS 25 -4.152 3.280 -8.082 230 3HZ LYS 25 3HZ LYS 25 -5.547 4.239 -7.930 231 HA PRO 26 HA PRO 26 0.059 -1.164 -6.002 232 1HB PRO 26 2HB PRO 26 -0.695 -3.944 -5.981 233 2HB PRO 26 3HB PRO 26 0.393 -3.095 -4.878 234 1HG PRO 26 2HG PRO 26 -2.159 -4.098 -4.298 235 2HG PRO 26 3HG PRO 26 -1.162 -3.056 -3.278 236 1HD PRO 26 2HD PRO 26 -3.561 -2.376 -4.817 237 2HD PRO 26 3HD PRO 26 -2.753 -1.455 -3.531 238 H LEU 27 H LEU 27 -0.559 -0.191 -8.020 239 HA LEU 27 HA LEU 27 -1.323 -0.114 -10.191 240 1HB LEU 27 2HB LEU 27 1.073 -1.281 -9.878 241 2HB LEU 27 3HB LEU 27 0.227 -2.566 -10.722 242 HG LEU 27 HG LEU 27 -0.578 -0.628 -12.307 243 1HD1 LEU 27 1HD1 LEU 27 2.068 0.577 -11.594 244 2HD1 LEU 27 2HD1 LEU 27 0.650 1.337 -12.317 245 3HD1 LEU 27 3HD1 LEU 27 0.675 0.979 -10.590 246 1HD2 LEU 27 1HD2 LEU 27 1.503 -0.926 -13.672 247 2HD2 LEU 27 2HD2 LEU 27 2.252 -1.722 -12.288 248 3HD2 LEU 27 3HD2 LEU 27 0.846 -2.448 -13.069 249 H ASP 28 H ASP 28 -1.018 -3.656 -10.103 250 HA ASP 28 HA ASP 28 -3.772 -3.779 -11.122 251 1HB ASP 28 2HB ASP 28 -3.167 -6.207 -11.618 252 2HB ASP 28 3HB ASP 28 -2.382 -4.964 -12.589 253 H VAL 29 H VAL 29 -2.128 -6.405 -9.404 254 HA VAL 29 HA VAL 29 -2.997 -7.803 -7.780 255 HB VAL 29 HB VAL 29 -3.226 -5.047 -6.541 256 1HG1 VAL 29 1HG1 VAL 29 -4.183 -7.670 -5.549 257 2HG1 VAL 29 2HG1 VAL 29 -3.145 -6.793 -4.427 258 3HG1 VAL 29 3HG1 VAL 29 -4.623 -6.044 -5.029 259 1HG2 VAL 29 1HG2 VAL 29 -1.237 -5.876 -5.277 260 2HG2 VAL 29 2HG2 VAL 29 -1.301 -7.373 -6.205 261 3HG2 VAL 29 3HG2 VAL 29 -0.955 -5.846 -7.018 262 H ASN 30 H ASN 30 -4.690 -7.826 -9.654 263 HA ASN 30 HA ASN 30 -7.317 -6.868 -8.837 264 1HB ASN 30 2HB ASN 30 -7.947 -7.897 -11.085 265 2HB ASN 30 3HB ASN 30 -6.826 -6.544 -11.133 266 1HD2 ASN 30 2HD2 ASN 30 -4.838 -6.903 -12.159 267 2HD2 ASN 30 1HD2 ASN 30 -4.262 -8.432 -12.619 268 H SER 31 H SER 31 -6.246 -8.763 -7.094 269 HA SER 31 HA SER 31 -8.305 -10.792 -7.184 270 1HB SER 31 2HB SER 31 -5.415 -11.439 -7.653 271 2HB SER 31 3HB SER 31 -6.449 -12.590 -6.811 272 HG SER 31 HG SER 31 -7.469 -11.447 -9.127 273 H ARG 32 H ARG 32 -9.031 -11.030 -5.182 274 HA ARG 32 HA ARG 32 -7.857 -9.795 -2.943 275 1HB ARG 32 2HB ARG 32 -10.222 -10.317 -2.922 276 2HB ARG 32 3HB ARG 32 -9.889 -12.037 -3.121 277 1HG ARG 32 2HG ARG 32 -8.973 -12.226 -0.934 278 2HG ARG 32 3HG ARG 32 -8.813 -10.478 -0.763 279 1HD ARG 32 2HD ARG 32 -11.120 -10.171 -0.442 280 2HD ARG 32 3HD ARG 32 -11.525 -11.719 -1.176 281 HE ARG 32 HE ARG 32 -11.601 -12.348 1.071 282 1HH1 ARG 32 1HH1 ARG 32 -9.769 -9.698 1.520 283 2HH1 ARG 32 2HH1 ARG 32 -8.559 -10.413 2.532 284 1HH2 ARG 32 1HH2 ARG 32 -9.574 -13.666 1.911 285 2HH2 ARG 32 2HH2 ARG 32 -8.449 -12.654 2.754 286 H GLU 33 H GLU 33 -7.394 -12.876 -4.452 287 HA GLU 33 HA GLU 33 -6.214 -14.305 -2.329 288 1HB GLU 33 2HB GLU 33 -5.935 -14.447 -5.330 289 2HB GLU 33 3HB GLU 33 -5.025 -15.514 -4.266 290 1HG GLU 33 2HG GLU 33 -8.038 -15.223 -4.177 291 2HG GLU 33 3HG GLU 33 -7.206 -16.487 -5.076 292 H GLU 34 H GLU 34 -4.786 -12.291 -4.891 293 HA GLU 34 HA GLU 34 -2.117 -12.465 -3.845 294 1HB GLU 34 2HB GLU 34 -3.492 -10.893 -5.997 295 2HB GLU 34 3HB GLU 34 -1.900 -10.371 -5.442 296 1HG GLU 34 2HG GLU 34 -0.898 -12.441 -6.048 297 2HG GLU 34 3HG GLU 34 -2.461 -13.230 -6.246 298 H ALA 35 H ALA 35 -4.674 -10.003 -3.813 299 HA ALA 35 HA ALA 35 -3.303 -7.977 -2.452 300 1HB ALA 35 1HB ALA 35 -5.709 -8.057 -3.539 301 2HB ALA 35 2HB ALA 35 -6.214 -8.467 -1.900 302 3HB ALA 35 3HB ALA 35 -5.371 -6.948 -2.212 303 H SER 36 H SER 36 -5.592 -10.337 -1.024 304 HA SER 36 HA SER 36 -5.075 -9.747 1.653 305 1HB SER 36 2HB SER 36 -6.927 -11.213 0.771 306 2HB SER 36 3HB SER 36 -5.734 -12.493 0.575 307 HG SER 36 HG SER 36 -6.427 -11.136 2.975 308 H LYS 37 H LYS 37 -3.397 -11.944 -0.555 309 HA LYS 37 HA LYS 37 -1.688 -13.123 1.403 310 1HB LYS 37 2HB LYS 37 -1.665 -12.969 -1.601 311 2HB LYS 37 3HB LYS 37 -0.277 -13.622 -0.735 312 1HG LYS 37 2HG LYS 37 -1.645 -15.313 0.324 313 2HG LYS 37 3HG LYS 37 -3.117 -14.599 -0.328 314 1HD LYS 37 2HD LYS 37 -2.774 -16.280 -1.886 315 2HD LYS 37 3HD LYS 37 -1.857 -14.980 -2.647 316 1HE LYS 37 2HE LYS 37 0.214 -15.826 -1.598 317 2HE LYS 37 3HE LYS 37 -0.703 -17.125 -0.835 318 1HZ LYS 37 1HZ LYS 37 0.114 -16.806 -3.608 319 2HZ LYS 37 2HZ LYS 37 -1.441 -17.444 -3.359 320 3HZ LYS 37 3HZ LYS 37 -0.085 -18.218 -2.690 321 H LEU 38 H LEU 38 -1.668 -10.099 -0.244 322 HA LEU 38 HA LEU 38 1.178 -9.646 0.147 323 1HB LEU 38 2HB LEU 38 0.732 -8.420 -1.688 324 2HB LEU 38 3HB LEU 38 -0.997 -8.434 -1.377 325 HG LEU 38 HG LEU 38 0.757 -6.660 0.289 326 1HD1 LEU 38 1HD1 LEU 38 1.513 -6.104 -1.916 327 2HD1 LEU 38 2HD1 LEU 38 -0.134 -6.136 -2.548 328 3HD1 LEU 38 3HD1 LEU 38 0.357 -4.861 -1.435 329 1HD2 LEU 38 1HD2 LEU 38 -1.716 -7.003 0.716 330 2HD2 LEU 38 2HD2 LEU 38 -1.254 -5.327 0.425 331 3HD2 LEU 38 3HD2 LEU 38 -2.019 -6.265 -0.857 332 H ILE 39 H ILE 39 -1.705 -9.264 1.954 333 HA ILE 39 HA ILE 39 -1.249 -6.984 3.479 334 HB ILE 39 HB ILE 39 -2.492 -9.634 4.232 335 1HG1 ILE 39 2HG1 ILE 39 -3.715 -6.895 3.752 336 2HG1 ILE 39 3HG1 ILE 39 -3.587 -8.141 2.509 337 1HG2 ILE 39 1HG2 ILE 39 -3.464 -8.219 6.162 338 2HG2 ILE 39 2HG2 ILE 39 -1.795 -8.759 6.326 339 3HG2 ILE 39 3HG2 ILE 39 -2.139 -7.100 5.843 340 1HD1 ILE 39 1HD1 ILE 39 -4.845 -9.689 4.077 341 2HD1 ILE 39 2HD1 ILE 39 -5.142 -8.287 5.105 342 3HD1 ILE 39 3HD1 ILE 39 -5.787 -8.330 3.465 343 H GLY 40 H GLY 40 0.389 -6.386 4.711 344 1HA GLY 40 1HA GLY 40 1.725 -6.814 6.707 345 2HA GLY 40 2HA GLY 40 1.963 -8.458 6.124 346 H ARG 41 H ARG 41 2.117 -6.762 3.387 347 HA ARG 41 HA ARG 41 4.958 -6.950 3.171 348 1HB ARG 41 2HB ARG 41 2.741 -5.981 1.408 349 2HB ARG 41 3HB ARG 41 4.403 -5.558 0.996 350 1HG ARG 41 2HG ARG 41 3.834 -8.404 1.718 351 2HG ARG 41 3HG ARG 41 3.293 -7.836 0.140 352 1HD ARG 41 2HD ARG 41 6.098 -7.268 1.066 353 2HD ARG 41 3HD ARG 41 5.700 -8.836 0.372 354 HE ARG 41 HE ARG 41 6.084 -6.431 -1.080 355 1HH1 ARG 41 1HH2 ARG 41 6.099 -9.295 -2.171 356 2HH1 ARG 41 2HH2 ARG 41 4.772 -9.241 -3.283 357 1HH2 ARG 41 1HH1 ARG 41 3.454 -6.313 -1.974 358 2HH2 ARG 41 2HH1 ARG 41 3.273 -7.550 -3.172 359 H LEU 42 H LEU 42 6.426 -5.206 2.700 360 HA LEU 42 HA LEU 42 5.777 -2.787 4.252 361 1HB LEU 42 2HB LEU 42 7.819 -4.269 4.759 362 2HB LEU 42 3HB LEU 42 8.516 -3.596 3.287 363 HG LEU 42 HG LEU 42 7.728 -1.298 4.418 364 1HD1 LEU 42 1HD1 LEU 42 8.403 -3.047 6.802 365 2HD1 LEU 42 2HD1 LEU 42 7.945 -1.345 6.825 366 3HD1 LEU 42 3HD1 LEU 42 6.760 -2.571 6.375 367 1HD2 LEU 42 1HD2 LEU 42 10.218 -2.943 4.750 368 2HD2 LEU 42 2HD2 LEU 42 9.986 -1.434 3.866 369 3HD2 LEU 42 3HD2 LEU 42 10.085 -1.419 5.627 370 H VAL 43 H VAL 43 5.342 -0.969 3.205 371 HA VAL 43 HA VAL 43 5.958 -0.753 0.351 372 HB VAL 43 HB VAL 43 4.488 1.228 0.410 373 1HG1 VAL 43 1HG1 VAL 43 3.537 -1.057 0.106 374 2HG1 VAL 43 2HG1 VAL 43 3.279 -1.157 1.847 375 3HG1 VAL 43 3HG1 VAL 43 2.404 0.041 0.893 376 1HG2 VAL 43 1HG2 VAL 43 4.671 0.717 3.364 377 2HG2 VAL 43 2HG2 VAL 43 4.667 2.251 2.491 378 3HG2 VAL 43 3HG2 VAL 43 3.164 1.361 2.716 379 H LEU 44 H LEU 44 7.991 -0.092 -0.035 380 HA LEU 44 HA LEU 44 9.142 2.015 1.674 381 1HB LEU 44 2HB LEU 44 10.381 -0.172 1.265 382 2HB LEU 44 3HB LEU 44 10.608 0.382 -0.393 383 HG LEU 44 HG LEU 44 11.395 2.072 1.992 384 1HD1 LEU 44 1HD1 LEU 44 12.562 -0.236 1.827 385 2HD1 LEU 44 2HD1 LEU 44 13.322 0.410 0.371 386 3HD1 LEU 44 3HD1 LEU 44 13.585 1.196 1.926 387 1HD2 LEU 44 1HD2 LEU 44 13.039 2.820 0.030 388 2HD2 LEU 44 2HD2 LEU 44 11.748 2.179 -0.983 389 3HD2 LEU 44 3HD2 LEU 44 11.412 3.487 0.152 390 H TRP 45 H TRP 45 8.517 3.894 0.952 391 HA TRP 45 HA TRP 45 8.485 4.568 -1.907 392 1HB TRP 45 2HB TRP 45 6.530 5.180 -0.578 393 2HB TRP 45 3HB TRP 45 7.547 6.014 0.587 394 HD1 TRP 45 HD1 TRP 45 6.373 6.296 -3.074 395 HE1 TRP 45 HE1 TRP 45 6.454 8.787 -3.758 396 HE3 TRP 45 HE3 TRP 45 8.567 8.275 1.090 397 HZ2 TRP 45 HZ2 TRP 45 7.364 11.281 -2.680 398 HZ3 TRP 45 HZ3 TRP 45 9.028 10.704 1.238 399 HH2 TRP 45 HH2 TRP 45 8.429 12.208 -0.639 400 H LYS 46 H LYS 46 10.518 5.036 -2.599 401 HA LYS 46 HA LYS 46 12.460 6.322 -0.891 402 1HB LYS 46 2HB LYS 46 13.153 4.597 -2.480 403 2HB LYS 46 3HB LYS 46 12.566 5.577 -3.823 404 1HG LYS 46 2HG LYS 46 14.289 7.233 -2.270 405 2HG LYS 46 3HG LYS 46 15.118 5.696 -2.503 406 1HD LYS 46 2HD LYS 46 13.781 7.112 -4.811 407 2HD LYS 46 3HD LYS 46 15.429 7.507 -4.321 408 1HE LYS 46 2HE LYS 46 16.133 5.200 -4.655 409 2HE LYS 46 3HE LYS 46 14.475 4.713 -5.015 410 1HZ LYS 46 1HZ LYS 46 15.460 5.006 -7.086 411 2HZ LYS 46 2HZ LYS 46 16.285 6.415 -6.615 412 3HZ LYS 46 3HZ LYS 46 14.603 6.450 -6.850 413 H SER 47 H SER 47 12.003 8.400 -0.431 414 HA SER 47 HA SER 47 10.797 10.273 -2.166 415 1HB SER 47 2HB SER 47 11.049 10.453 0.356 416 2HB SER 47 3HB SER 47 12.725 10.911 0.073 417 HG SER 47 HG SER 47 10.799 12.545 0.149 418 HA PRO 48 HA PRO 48 13.958 11.230 -5.098 419 1HB PRO 48 2HB PRO 48 13.530 14.075 -4.921 420 2HB PRO 48 3HB PRO 48 12.987 12.960 -6.182 421 1HG PRO 48 2HG PRO 48 11.487 14.144 -4.002 422 2HG PRO 48 3HG PRO 48 10.905 13.293 -5.437 423 1HD PRO 48 2HD PRO 48 10.794 12.292 -2.854 424 2HD PRO 48 3HD PRO 48 10.714 11.304 -4.327 425 H SER 49 H SER 49 15.750 10.659 -3.797 426 HA SER 49 HA SER 49 17.541 10.953 -2.358 427 1HB SER 49 2HB SER 49 18.985 12.859 -3.086 428 2HB SER 49 3HB SER 49 18.416 11.857 -4.419 429 HG SER 49 HG SER 49 16.664 13.842 -3.834 430 H GLY 50 H GLY 50 15.646 11.377 -0.701 431 1HA GLY 50 1HA GLY 50 16.410 13.813 0.775 432 2HA GLY 50 2HA GLY 50 14.702 13.487 0.490 433 H LYS 51 H LYS 51 14.114 11.097 1.062 434 HA LYS 51 HA LYS 51 15.547 9.863 3.217 435 1HB LYS 51 2HB LYS 51 14.388 11.896 4.284 436 2HB LYS 51 3HB LYS 51 12.876 11.038 3.987 437 1HG LYS 51 2HG LYS 51 13.843 9.059 5.214 438 2HG LYS 51 3HG LYS 51 15.222 10.070 5.646 439 1HD LYS 51 2HD LYS 51 12.355 10.822 6.278 440 2HD LYS 51 3HD LYS 51 13.397 9.949 7.402 441 1HE LYS 51 2HE LYS 51 14.968 12.100 6.563 442 2HE LYS 51 3HE LYS 51 13.358 12.795 6.749 443 1HZ LYS 51 1HZ LYS 51 13.319 11.580 8.961 444 2HZ LYS 51 2HZ LYS 51 14.325 12.944 8.850 445 3HZ LYS 51 3HZ LYS 51 14.992 11.384 8.770 446 H ILE 52 H ILE 52 15.121 7.752 3.078 447 HA ILE 52 HA ILE 52 12.920 6.832 1.428 448 HB ILE 52 HB ILE 52 15.326 5.579 2.696 449 1HG1 ILE 52 2HG1 ILE 52 15.751 4.847 0.446 450 2HG1 ILE 52 3HG1 ILE 52 14.100 5.213 -0.052 451 1HG2 ILE 52 1HG2 ILE 52 14.308 3.350 1.791 452 2HG2 ILE 52 2HG2 ILE 52 13.809 3.919 3.383 453 3HG2 ILE 52 3HG2 ILE 52 12.759 4.168 1.989 454 1HD1 ILE 52 1HD1 ILE 52 15.978 6.905 -0.668 455 2HD1 ILE 52 2HD1 ILE 52 14.468 7.535 -0.009 456 3HD1 ILE 52 3HD1 ILE 52 15.888 7.384 1.026 457 H LEU 53 H LEU 53 10.961 6.858 2.324 458 HA LEU 53 HA LEU 53 10.624 6.168 5.157 459 1HB LEU 53 2HB LEU 53 8.643 7.185 3.102 460 2HB LEU 53 3HB LEU 53 8.290 6.917 4.808 461 HG LEU 53 HG LEU 53 10.512 8.747 3.864 462 1HD1 LEU 53 1HD1 LEU 53 7.809 9.667 4.838 463 2HD1 LEU 53 2HD1 LEU 53 9.051 10.596 3.997 464 3HD1 LEU 53 3HD1 LEU 53 8.115 9.385 3.124 465 1HD2 LEU 53 1HD2 LEU 53 10.834 8.116 6.141 466 2HD2 LEU 53 2HD2 LEU 53 10.051 9.692 6.213 467 3HD2 LEU 53 3HD2 LEU 53 9.112 8.227 6.496 468 H LYS 54 H LYS 54 9.178 4.482 5.821 469 HA LYS 54 HA LYS 54 8.216 2.639 3.798 470 1HB LYS 54 2HB LYS 54 9.417 0.828 5.317 471 2HB LYS 54 3HB LYS 54 10.229 1.573 3.947 472 1HG LYS 54 2HG LYS 54 11.346 3.158 5.399 473 2HG LYS 54 3HG LYS 54 10.406 2.616 6.790 474 1HD LYS 54 2HD LYS 54 11.445 0.255 6.135 475 2HD LYS 54 3HD LYS 54 12.688 1.264 5.393 476 1HE LYS 54 2HE LYS 54 12.830 2.505 7.616 477 2HE LYS 54 3HE LYS 54 11.825 1.224 8.297 478 1HZ LYS 54 1HZ LYS 54 14.512 1.150 8.131 479 2HZ LYS 54 2HZ LYS 54 14.062 0.275 6.746 480 3HZ LYS 54 3HZ LYS 54 13.515 -0.215 8.277 481 H GLY 55 H GLY 55 6.139 2.633 4.453 482 1HA GLY 55 1HA GLY 55 5.465 2.403 7.293 483 2HA GLY 55 2HA GLY 55 4.332 2.655 5.965 484 H LYS 56 H LYS 56 3.052 0.901 6.920 485 HA LYS 56 HA LYS 56 3.849 -1.676 5.814 486 1HB LYS 56 2HB LYS 56 4.747 -1.547 8.198 487 2HB LYS 56 3HB LYS 56 3.064 -1.531 8.728 488 1HG LYS 56 2HG LYS 56 2.663 -3.673 7.600 489 2HG LYS 56 3HG LYS 56 4.316 -3.680 6.988 490 1HD LYS 56 2HD LYS 56 5.113 -3.600 9.388 491 2HD LYS 56 3HD LYS 56 3.437 -3.842 9.885 492 1HE LYS 56 2HE LYS 56 4.538 -6.004 9.840 493 2HE LYS 56 3HE LYS 56 3.395 -5.938 8.500 494 1HZ LYS 56 1HZ LYS 56 5.092 -5.632 6.968 495 2HZ LYS 56 2HZ LYS 56 5.752 -6.772 8.042 496 3HZ LYS 56 3HZ LYS 56 6.214 -5.140 8.141 497 H ILE 57 H ILE 57 2.160 -2.657 4.938 498 HA ILE 57 HA ILE 57 -0.440 -1.519 4.992 499 HB ILE 57 HB ILE 57 0.292 -4.320 4.105 500 1HG1 ILE 57 2HG1 ILE 57 0.442 -1.711 2.551 501 2HG1 ILE 57 3HG1 ILE 57 1.832 -2.634 3.117 502 1HG2 ILE 57 1HG2 ILE 57 -1.831 -2.383 3.129 503 2HG2 ILE 57 2HG2 ILE 57 -1.614 -4.054 2.613 504 3HG2 ILE 57 3HG2 ILE 57 -2.139 -3.701 4.258 505 1HD1 ILE 57 1HD1 ILE 57 1.598 -3.359 0.897 506 2HD1 ILE 57 2HD1 ILE 57 0.758 -4.616 1.804 507 3HD1 ILE 57 3HD1 ILE 57 -0.162 -3.356 0.980 508 H VAL 58 H VAL 58 -2.259 -2.090 6.112 509 HA VAL 58 HA VAL 58 -1.840 -3.889 8.409 510 HB VAL 58 HB VAL 58 -4.177 -2.706 8.996 511 1HG1 VAL 58 1HG1 VAL 58 -2.807 -0.996 10.226 512 2HG1 VAL 58 2HG1 VAL 58 -2.226 -2.648 10.431 513 3HG1 VAL 58 3HG1 VAL 58 -1.395 -1.551 9.329 514 1HG2 VAL 58 1HG2 VAL 58 -2.712 -0.494 7.551 515 2HG2 VAL 58 2HG2 VAL 58 -3.947 -1.447 6.729 516 3HG2 VAL 58 3HG2 VAL 58 -4.368 -0.503 8.157 517 H ARG 59 H ARG 59 -4.274 -3.131 5.902 518 HA ARG 59 HA ARG 59 -4.982 -5.930 5.709 519 1HB ARG 59 2HB ARG 59 -7.485 -5.253 6.122 520 2HB ARG 59 3HB ARG 59 -6.441 -5.636 7.490 521 1HG ARG 59 2HG ARG 59 -6.231 -3.409 8.137 522 2HG ARG 59 3HG ARG 59 -6.576 -2.798 6.520 523 1HD ARG 59 2HD ARG 59 -8.411 -2.566 8.352 524 2HD ARG 59 3HD ARG 59 -8.887 -3.121 6.752 525 HE ARG 59 HE ARG 59 -8.478 -5.461 7.928 526 1HH1 ARG 59 1HH1 ARG 59 -9.979 -2.584 9.154 527 2HH1 ARG 59 2HH1 ARG 59 -11.027 -3.434 10.237 528 1HH2 ARG 59 1HH2 ARG 59 -9.849 -6.572 9.342 529 2HH2 ARG 59 2HH2 ARG 59 -10.956 -5.690 10.342 530 H VAL 60 H VAL 60 -6.630 -6.325 4.066 531 HA VAL 60 HA VAL 60 -6.203 -4.650 1.756 532 HB VAL 60 HB VAL 60 -6.237 -7.082 1.533 533 1HG1 VAL 60 1HG1 VAL 60 -7.879 -7.438 3.420 534 2HG1 VAL 60 2HG1 VAL 60 -9.162 -6.948 2.316 535 3HG1 VAL 60 3HG1 VAL 60 -8.211 -8.393 1.978 536 1HG2 VAL 60 1HG2 VAL 60 -8.757 -6.035 0.226 537 2HG2 VAL 60 2HG2 VAL 60 -7.152 -5.523 -0.297 538 3HG2 VAL 60 3HG2 VAL 60 -7.615 -7.221 -0.401 539 H HIS 61 H HIS 61 -7.886 -3.695 0.486 540 HA HIS 61 HA HIS 61 -10.448 -3.238 1.857 541 1HB HIS 61 2HB HIS 61 -8.871 -1.362 2.423 542 2HB HIS 61 3HB HIS 61 -8.794 -0.983 0.701 543 HD1 HIS 61 HD1 HIS 61 -12.109 -2.192 1.528 544 HD2 HIS 61 HD2 HIS 61 -10.172 1.495 1.740 545 HE1 HIS 61 HE1 HIS 61 -13.927 -0.438 1.721 546 H GLY 62 H GLY 62 -12.119 -3.364 0.511 547 1HA GLY 62 1HA GLY 62 -13.364 -3.138 -1.442 548 2HA GLY 62 2HA GLY 62 -11.917 -2.581 -2.274 549 H THR 63 H THR 63 -10.808 -5.209 -0.811 550 HA THR 63 HA THR 63 -10.229 -7.316 -1.465 551 HB THR 63 HB THR 63 -11.965 -8.797 -2.254 552 HG1 THR 63 HG1 THR 63 -12.819 -7.347 -3.827 553 1HG2 THR 63 1HG2 THR 63 -12.019 -7.777 0.117 554 2HG2 THR 63 2HG2 THR 63 -13.383 -6.823 -0.471 555 3HG2 THR 63 3HG2 THR 63 -13.478 -8.585 -0.459 556 H LYS 64 H LYS 64 -9.104 -8.267 -3.076 557 HA LYS 64 HA LYS 64 -7.879 -8.267 -5.026 558 1HB LYS 64 2HB LYS 64 -9.212 -8.751 -7.008 559 2HB LYS 64 3HB LYS 64 -9.887 -9.593 -5.618 560 1HG LYS 64 2HG LYS 64 -11.691 -8.061 -5.427 561 2HG LYS 64 3HG LYS 64 -10.917 -6.894 -6.498 562 1HD LYS 64 2HD LYS 64 -11.390 -9.596 -7.637 563 2HD LYS 64 3HD LYS 64 -12.826 -8.618 -7.339 564 1HE LYS 64 2HE LYS 64 -10.403 -7.667 -8.899 565 2HE LYS 64 3HE LYS 64 -11.880 -8.291 -9.632 566 1HZ LYS 64 1HZ LYS 64 -13.115 -6.535 -8.475 567 2HZ LYS 64 2HZ LYS 64 -11.956 -5.902 -9.543 568 3HZ LYS 64 3HZ LYS 64 -11.659 -5.908 -7.872 569 H GLY 65 H GLY 65 -8.294 -5.613 -3.888 570 1HA GLY 65 1HA GLY 65 -7.723 -4.062 -6.286 571 2HA GLY 65 2HA GLY 65 -9.066 -3.542 -5.283 572 H ALA 66 H ALA 66 -8.540 -1.922 -4.108 573 HA ALA 66 HA ALA 66 -5.899 -1.115 -3.477 574 1HB ALA 66 1HB ALA 66 -7.274 0.428 -1.841 575 2HB ALA 66 2HB ALA 66 -7.372 0.664 -3.585 576 3HB ALA 66 3HB ALA 66 -8.650 -0.207 -2.742 577 H VAL 67 H VAL 67 -5.531 -0.373 -1.078 578 HA VAL 67 HA VAL 67 -6.290 -2.343 0.924 579 HB VAL 67 HB VAL 67 -3.976 -2.972 1.454 580 1HG1 VAL 67 1HG1 VAL 67 -4.483 -3.437 -1.497 581 2HG1 VAL 67 2HG1 VAL 67 -3.574 -4.468 -0.393 582 3HG1 VAL 67 3HG1 VAL 67 -5.321 -4.311 -0.214 583 1HG2 VAL 67 1HG2 VAL 67 -3.382 -1.081 -0.816 584 2HG2 VAL 67 2HG2 VAL 67 -2.625 -1.178 0.772 585 3HG2 VAL 67 3HG2 VAL 67 -2.269 -2.398 -0.448 586 H ARG 68 H ARG 68 -5.799 -1.637 3.053 587 HA ARG 68 HA ARG 68 -5.434 1.253 3.256 588 1HB ARG 68 2HB ARG 68 -7.245 0.039 4.512 589 2HB ARG 68 3HB ARG 68 -5.983 -0.733 5.474 590 1HG ARG 68 2HG ARG 68 -5.232 1.376 6.347 591 2HG ARG 68 3HG ARG 68 -6.217 2.276 5.194 592 1HD ARG 68 2HD ARG 68 -6.949 1.555 7.796 593 2HD ARG 68 3HD ARG 68 -8.014 2.189 6.548 594 HE ARG 68 HE ARG 68 -7.589 -0.694 6.478 595 1HH1 ARG 68 1HH2 ARG 68 -8.878 -0.317 9.083 596 2HH1 ARG 68 2HH2 ARG 68 -10.566 -0.246 8.703 597 1HH2 ARG 68 1HH1 ARG 68 -10.056 0.374 5.330 598 2HH2 ARG 68 2HH1 ARG 68 -11.232 0.136 6.577 599 H ALA 69 H ALA 69 -3.842 2.249 4.491 600 HA ALA 69 HA ALA 69 -1.689 0.634 5.635 601 1HB ALA 69 1HB ALA 69 -1.169 2.688 3.469 602 2HB ALA 69 2HB ALA 69 0.051 1.770 4.352 603 3HB ALA 69 3HB ALA 69 -1.055 0.941 3.256 604 H ARG 70 H ARG 70 -0.169 1.971 6.892 605 HA ARG 70 HA ARG 70 -1.107 4.673 7.542 606 1HB ARG 70 2HB ARG 70 -0.621 2.733 9.792 607 2HB ARG 70 3HB ARG 70 -1.475 4.274 9.824 608 1HG ARG 70 2HG ARG 70 -3.236 3.268 8.353 609 2HG ARG 70 3HG ARG 70 -2.415 1.714 8.498 610 1HD ARG 70 2HD ARG 70 -2.708 1.780 10.942 611 2HD ARG 70 3HD ARG 70 -3.510 3.344 10.810 612 HE ARG 70 HE ARG 70 -4.891 1.567 9.149 613 1HH1 ARG 70 1HH1 ARG 70 -3.841 0.643 12.180 614 2HH1 ARG 70 2HH1 ARG 70 -5.413 0.453 12.881 615 1HH2 ARG 70 1HH2 ARG 70 -7.076 1.904 10.208 616 2HH2 ARG 70 2HH2 ARG 70 -7.241 1.171 11.769 617 H PHE 71 H PHE 71 0.592 5.959 7.562 618 HA PHE 71 HA PHE 71 3.274 4.841 8.006 619 1HB PHE 71 2HB PHE 71 2.324 7.491 6.888 620 2HB PHE 71 3HB PHE 71 4.020 7.087 7.150 621 HD1 PHE 71 HD1 PHE 71 5.216 6.073 5.409 622 HD2 PHE 71 HD2 PHE 71 0.936 5.694 5.524 623 HE1 PHE 71 HE1 PHE 71 5.259 4.897 3.225 624 HE2 PHE 71 HE2 PHE 71 0.983 4.516 3.346 625 HZ PHE 71 HZ PHE 71 3.142 4.119 2.193 626 H GLU 72 H GLU 72 3.974 4.890 10.048 627 HA GLU 72 HA GLU 72 2.855 6.559 12.064 628 1HB GLU 72 2HB GLU 72 4.650 5.679 13.494 629 2HB GLU 72 3HB GLU 72 3.882 4.381 12.579 630 1HG GLU 72 2HG GLU 72 5.712 4.558 10.879 631 2HG GLU 72 3HG GLU 72 6.507 5.746 11.910 632 H LYS 73 H LYS 73 5.469 6.928 9.807 633 HA LYS 73 HA LYS 73 6.693 9.137 11.235 634 1HB LYS 73 2HB LYS 73 7.242 7.627 8.719 635 2HB LYS 73 3HB LYS 73 7.892 9.261 8.861 636 1HG LYS 73 2HG LYS 73 8.234 7.355 11.155 637 2HG LYS 73 3HG LYS 73 9.286 7.198 9.748 638 1HD LYS 73 2HD LYS 73 10.157 9.393 10.013 639 2HD LYS 73 3HD LYS 73 8.867 9.857 11.124 640 1HE LYS 73 2HE LYS 73 11.065 7.838 11.672 641 2HE LYS 73 3HE LYS 73 10.920 9.445 12.386 642 1HZ LYS 73 1HZ LYS 73 9.371 7.023 12.924 643 2HZ LYS 73 2HZ LYS 73 8.565 8.517 13.035 644 3HZ LYS 73 3HZ LYS 73 9.930 8.211 13.997 645 H GLY 74 H GLY 74 5.812 9.076 7.820 646 1HA GLY 74 1HA GLY 74 3.823 10.470 7.119 647 2HA GLY 74 2HA GLY 74 4.515 11.721 8.150 648 H LEU 75 H LEU 75 4.006 11.877 5.289 649 HA LEU 75 HA LEU 75 6.644 11.760 4.042 650 1HB LEU 75 2HB LEU 75 4.206 12.897 2.707 651 2HB LEU 75 3HB LEU 75 5.563 12.027 1.993 652 HG LEU 75 HG LEU 75 3.414 10.830 3.771 653 1HD1 LEU 75 1HD1 LEU 75 4.035 10.094 0.916 654 2HD1 LEU 75 2HD1 LEU 75 2.556 9.805 1.834 655 3HD1 LEU 75 3HD1 LEU 75 2.948 11.434 1.282 656 1HD2 LEU 75 1HD2 LEU 75 5.470 9.667 4.218 657 2HD2 LEU 75 2HD2 LEU 75 4.568 8.662 3.084 658 3HD2 LEU 75 3HD2 LEU 75 5.909 9.657 2.511 659 HA PRO 76 HA PRO 76 7.677 15.987 4.648 660 1HB PRO 76 2HB PRO 76 8.817 16.347 2.032 661 2HB PRO 76 3HB PRO 76 9.654 16.058 3.562 662 1HG PRO 76 2HG PRO 76 9.401 14.286 1.400 663 2HG PRO 76 3HG PRO 76 10.060 13.937 3.002 664 1HD PRO 76 2HD PRO 76 7.497 13.122 1.854 665 2HD PRO 76 3HD PRO 76 8.304 12.540 3.322 666 H GLY 77 H GLY 77 7.215 18.151 3.987 667 1HA GLY 77 1HA GLY 77 5.479 19.644 3.467 668 2HA GLY 77 2HA GLY 77 6.160 19.335 1.875 669 H GLN 78 H GLN 78 5.036 18.117 0.402 670 HA GLN 78 HA GLN 78 2.645 16.677 1.174 671 1HB GLN 78 2HB GLN 78 1.828 19.011 1.013 672 2HB GLN 78 3HB GLN 78 2.416 19.086 -0.648 673 1HG GLN 78 2HG GLN 78 0.010 18.553 -0.600 674 2HG GLN 78 3HG GLN 78 0.935 17.206 -1.260 675 1HE2 GLN 78 2HE2 GLN 78 1.207 15.280 0.116 676 2HE2 GLN 78 1HE2 GLN 78 0.193 15.021 1.453 677 H ALA 79 H ALA 79 3.243 14.839 0.191 678 HA ALA 79 HA ALA 79 3.978 14.948 -2.676 679 1HB ALA 79 1HB ALA 79 4.926 12.626 -2.205 680 2HB ALA 79 2HB ALA 79 5.786 13.972 -1.460 681 3HB ALA 79 3HB ALA 79 4.693 12.981 -0.494 682 H LEU 80 H LEU 80 1.310 15.149 -1.857 683 HA LEU 80 HA LEU 80 -0.036 12.635 -1.824 684 1HB LEU 80 2HB LEU 80 -0.752 15.232 -1.299 685 2HB LEU 80 3HB LEU 80 -1.542 14.955 -2.847 686 HG LEU 80 HG LEU 80 -3.061 14.326 -1.046 687 1HD1 LEU 80 1HD1 LEU 80 -2.638 12.846 -3.209 688 2HD1 LEU 80 2HD1 LEU 80 -2.100 11.661 -2.018 689 3HD1 LEU 80 3HD1 LEU 80 -3.741 12.303 -1.945 690 1HD2 LEU 80 1HD2 LEU 80 -1.600 12.010 -0.054 691 2HD2 LEU 80 2HD2 LEU 80 -0.712 13.504 0.250 692 3HD2 LEU 80 3HD2 LEU 80 -2.360 13.320 0.849 693 H GLY 81 H GLY 81 -0.133 11.258 -3.475 694 1HA GLY 81 1HA GLY 81 -1.116 10.763 -5.629 695 2HA GLY 81 2HA GLY 81 -0.564 12.328 -6.199 696 H ASP 82 H ASP 82 1.966 11.217 -4.407 697 HA ASP 82 HA ASP 82 3.523 10.595 -6.720 698 1HB ASP 82 2HB ASP 82 4.084 10.338 -3.754 699 2HB ASP 82 3HB ASP 82 5.270 9.972 -5.002 700 H TYR 83 H TYR 83 4.250 8.603 -7.438 701 HA TYR 83 HA TYR 83 2.548 6.371 -6.946 702 1HB TYR 83 2HB TYR 83 5.017 6.891 -8.545 703 2HB TYR 83 3HB TYR 83 4.645 5.213 -8.155 704 HD1 TYR 83 HD1 TYR 83 3.940 4.356 -10.251 705 HD2 TYR 83 HD2 TYR 83 2.211 7.991 -8.742 706 HE1 TYR 83 HE1 TYR 83 2.245 4.304 -12.061 707 HE2 TYR 83 HE2 TYR 83 0.519 7.935 -10.549 708 HH TYR 83 HH TYR 83 -0.159 5.264 -12.357 709 H VAL 84 H VAL 84 2.803 4.660 -5.570 710 HA VAL 84 HA VAL 84 4.941 4.914 -3.588 711 HB VAL 84 HB VAL 84 3.690 2.987 -2.478 712 1HG1 VAL 84 1HG1 VAL 84 3.384 5.229 -1.655 713 2HG1 VAL 84 2HG1 VAL 84 2.326 5.639 -3.005 714 3HG1 VAL 84 3HG1 VAL 84 1.786 4.495 -1.776 715 1HG2 VAL 84 1HG2 VAL 84 1.509 2.417 -3.257 716 2HG2 VAL 84 2HG2 VAL 84 1.496 3.744 -4.417 717 3HG2 VAL 84 3HG2 VAL 84 2.550 2.354 -4.676 718 H GLU 85 H GLU 85 6.160 2.993 -2.969 719 HA GLU 85 HA GLU 85 6.419 0.963 -5.071 720 1HB GLU 85 2HB GLU 85 8.810 2.504 -4.040 721 2HB GLU 85 3HB GLU 85 8.784 1.299 -5.326 722 1HG GLU 85 2HG GLU 85 7.406 2.766 -6.718 723 2HG GLU 85 3HG GLU 85 7.326 3.957 -5.421 724 H ILE 86 H ILE 86 7.408 -0.937 -4.388 725 HA ILE 86 HA ILE 86 7.653 -1.165 -1.445 726 HB ILE 86 HB ILE 86 6.923 -3.252 -3.526 727 1HG1 ILE 86 2HG1 ILE 86 5.225 -2.442 -1.183 728 2HG1 ILE 86 3HG1 ILE 86 5.262 -1.397 -2.602 729 1HG2 ILE 86 1HG2 ILE 86 7.709 -4.752 -2.028 730 2HG2 ILE 86 2HG2 ILE 86 7.997 -3.498 -0.825 731 3HG2 ILE 86 3HG2 ILE 86 6.404 -4.243 -0.958 732 1HD1 ILE 86 1HD1 ILE 86 4.347 -3.048 -3.999 733 2HD1 ILE 86 2HD1 ILE 86 4.796 -4.357 -2.906 734 3HD1 ILE 86 3HD1 ILE 86 3.463 -3.279 -2.492 735 H VAL 87 H VAL 87 9.837 -0.215 -1.892 736 HA VAL 87 HA VAL 87 11.700 -2.167 -3.089 737 HB VAL 87 HB VAL 87 12.689 0.456 -2.093 738 1HG1 VAL 87 1HG1 VAL 87 14.133 -1.177 -3.266 739 2HG1 VAL 87 2HG1 VAL 87 13.052 -1.126 -4.658 740 3HG1 VAL 87 3HG1 VAL 87 13.966 0.310 -4.198 741 1HG2 VAL 87 1HG2 VAL 87 10.672 1.276 -3.062 742 2HG2 VAL 87 2HG2 VAL 87 11.876 1.440 -4.335 743 3HG2 VAL 87 3HG2 VAL 87 10.729 0.103 -4.373 Start of MODEL 6 1 1H MET 1 1HT MET 1 12.636 -9.338 -4.839 2 2H MET 1 2HT MET 1 11.808 -8.260 -3.821 3 3H MET 1 3HT MET 1 13.037 -7.692 -4.846 4 HA MET 1 HA MET 1 11.753 -8.132 -6.784 5 1HB MET 1 2HB MET 1 9.525 -9.127 -6.630 6 2HB MET 1 3HB MET 1 10.711 -10.210 -5.907 7 1HG MET 1 2HG MET 1 10.100 -8.993 -3.673 8 2HG MET 1 3HG MET 1 8.646 -8.499 -4.540 9 1HE MET 1 1HE MET 1 7.886 -10.947 -6.449 10 2HE MET 1 2HE MET 1 6.960 -9.818 -5.463 11 3HE MET 1 3HE MET 1 6.686 -11.550 -5.297 12 H ARG 2 H ARG 2 11.032 -6.228 -7.474 13 HA ARG 2 HA ARG 2 9.878 -4.358 -5.511 14 1HB ARG 2 2HB ARG 2 10.890 -3.695 -8.277 15 2HB ARG 2 3HB ARG 2 10.621 -2.594 -6.926 16 1HG ARG 2 2HG ARG 2 12.426 -3.658 -5.655 17 2HG ARG 2 3HG ARG 2 12.676 -4.827 -6.953 18 1HD ARG 2 2HD ARG 2 13.053 -1.828 -7.154 19 2HD ARG 2 3HD ARG 2 14.331 -3.038 -7.122 20 HE ARG 2 HE ARG 2 12.335 -2.869 -9.308 21 1HH1 ARG 2 1HH1 ARG 2 14.795 -1.364 -9.885 22 2HH1 ARG 2 2HH1 ARG 2 15.822 -2.538 -10.641 23 1HH2 ARG 2 1HH2 ARG 2 13.959 -5.251 -9.545 24 2HH2 ARG 2 2HH2 ARG 2 15.344 -4.743 -10.452 25 H ILE 3 H ILE 3 8.085 -3.014 -6.138 26 HA ILE 3 HA ILE 3 6.507 -3.890 -8.449 27 HB ILE 3 HB ILE 3 5.071 -3.721 -5.826 28 1HG1 ILE 3 2HG1 ILE 3 6.490 -6.175 -6.926 29 2HG1 ILE 3 3HG1 ILE 3 6.847 -5.362 -5.404 30 1HG2 ILE 3 1HG2 ILE 3 4.599 -5.316 -8.364 31 2HG2 ILE 3 2HG2 ILE 3 3.490 -5.178 -7.000 32 3HG2 ILE 3 3HG2 ILE 3 3.845 -3.763 -7.991 33 1HD1 ILE 3 1HD1 ILE 3 4.254 -5.817 -4.971 34 2HD1 ILE 3 2HD1 ILE 3 4.541 -7.121 -6.120 35 3HD1 ILE 3 3HD1 ILE 3 5.471 -7.047 -4.625 36 H LYS 4 H LYS 4 5.019 -2.402 -9.154 37 HA LYS 4 HA LYS 4 5.449 0.346 -8.234 38 1HB LYS 4 2HB LYS 4 5.429 -0.621 -10.716 39 2HB LYS 4 3HB LYS 4 3.700 -0.317 -10.565 40 1HG LYS 4 2HG LYS 4 4.326 1.767 -11.285 41 2HG LYS 4 3HG LYS 4 4.632 2.008 -9.567 42 1HD LYS 4 2HD LYS 4 6.983 1.498 -9.843 43 2HD LYS 4 3HD LYS 4 6.726 1.025 -11.523 44 1HE LYS 4 2HE LYS 4 6.021 3.323 -12.072 45 2HE LYS 4 3HE LYS 4 6.276 3.801 -10.392 46 1HZ LYS 4 1HZ LYS 4 8.151 3.706 -12.450 47 2HZ LYS 4 2HZ LYS 4 8.579 2.497 -11.338 48 3HZ LYS 4 3HZ LYS 4 8.411 4.107 -10.823 49 H GLY 5 H GLY 5 3.585 1.813 -8.049 50 1HA GLY 5 1HA GLY 5 0.923 0.797 -7.742 51 2HA GLY 5 2HA GLY 5 1.690 1.086 -6.185 52 H VAL 6 H VAL 6 -0.426 2.604 -6.460 53 HA VAL 6 HA VAL 6 0.662 5.280 -6.933 54 HB VAL 6 HB VAL 6 -1.653 4.082 -8.452 55 1HG1 VAL 6 1HG1 VAL 6 -1.948 6.516 -9.270 56 2HG1 VAL 6 2HG1 VAL 6 -2.621 6.104 -7.693 57 3HG1 VAL 6 3HG1 VAL 6 -1.090 6.976 -7.800 58 1HG2 VAL 6 1HG2 VAL 6 -0.421 5.186 -10.345 59 2HG2 VAL 6 2HG2 VAL 6 0.840 5.636 -9.198 60 3HG2 VAL 6 3HG2 VAL 6 0.515 3.933 -9.531 61 H VAL 7 H VAL 7 -0.102 6.760 -5.571 62 HA VAL 7 HA VAL 7 -1.746 5.953 -3.363 63 HB VAL 7 HB VAL 7 -0.738 8.709 -4.127 64 1HG1 VAL 7 1HG1 VAL 7 -2.567 8.793 -2.498 65 2HG1 VAL 7 2HG1 VAL 7 -1.772 7.566 -1.509 66 3HG1 VAL 7 3HG1 VAL 7 -1.040 9.158 -1.695 67 1HG2 VAL 7 1HG2 VAL 7 0.438 6.678 -2.204 68 2HG2 VAL 7 2HG2 VAL 7 1.041 6.959 -3.835 69 3HG2 VAL 7 3HG2 VAL 7 1.119 8.246 -2.633 70 H LEU 8 H LEU 8 -3.765 6.722 -2.766 71 HA LEU 8 HA LEU 8 -5.399 7.809 -4.974 72 1HB LEU 8 2HB LEU 8 -6.158 6.096 -2.596 73 2HB LEU 8 3HB LEU 8 -7.324 6.806 -3.715 74 HG LEU 8 HG LEU 8 -5.049 4.997 -4.581 75 1HD1 LEU 8 1HD1 LEU 8 -7.253 3.510 -5.004 76 2HD1 LEU 8 2HD1 LEU 8 -6.338 3.430 -3.497 77 3HD1 LEU 8 3HD1 LEU 8 -7.801 4.414 -3.593 78 1HD2 LEU 8 1HD2 LEU 8 -6.975 4.854 -6.498 79 2HD2 LEU 8 2HD2 LEU 8 -7.222 6.509 -5.934 80 3HD2 LEU 8 3HD2 LEU 8 -5.643 6.010 -6.548 81 H SER 9 H SER 9 -5.385 7.790 -1.387 82 HA SER 9 HA SER 9 -5.388 10.653 -1.220 83 1HB SER 9 2HB SER 9 -7.798 9.942 -1.917 84 2HB SER 9 3HB SER 9 -7.945 9.415 -0.244 85 HG SER 9 HG SER 9 -7.859 11.440 0.410 86 H TYR 10 H TYR 10 -4.983 11.383 0.840 87 HA TYR 10 HA TYR 10 -4.361 9.312 2.829 88 1HB TYR 10 2HB TYR 10 -2.673 11.083 2.146 89 2HB TYR 10 3HB TYR 10 -3.702 12.260 2.959 90 HD1 TYR 10 HD1 TYR 10 -1.314 9.540 3.382 91 HD2 TYR 10 HD2 TYR 10 -4.147 12.054 5.413 92 HE1 TYR 10 HE1 TYR 10 -0.314 8.911 5.559 93 HE2 TYR 10 HE2 TYR 10 -3.144 11.422 7.591 94 HH TYR 10 HH TYR 10 -0.161 9.643 7.784 95 H ARG 11 H ARG 11 -5.807 8.892 4.353 96 HA ARG 11 HA ARG 11 -7.963 10.770 4.932 97 1HB ARG 11 2HB ARG 11 -7.428 7.889 5.407 98 2HB ARG 11 3HB ARG 11 -8.423 8.711 6.609 99 1HG ARG 11 2HG ARG 11 -10.021 9.388 4.955 100 2HG ARG 11 3HG ARG 11 -8.956 8.895 3.634 101 1HD ARG 11 2HD ARG 11 -9.299 6.617 4.026 102 2HD ARG 11 3HD ARG 11 -9.810 6.878 5.693 103 HE ARG 11 HE ARG 11 -11.682 8.127 4.010 104 1HH1 ARG 11 1HH1 ARG 11 -10.946 5.459 2.587 105 2HH1 ARG 11 2HH1 ARG 11 -12.210 4.430 3.174 106 1HH2 ARG 11 1HH2 ARG 11 -13.127 6.583 5.737 107 2HH2 ARG 11 2HH2 ARG 11 -13.444 5.066 4.962 108 H ARG 12 H ARG 12 -8.247 11.856 6.813 109 HA ARG 12 HA ARG 12 -6.269 11.460 8.967 110 1HB ARG 12 2HB ARG 12 -5.914 13.501 7.355 111 2HB ARG 12 3HB ARG 12 -7.237 14.216 8.277 112 1HG ARG 12 2HG ARG 12 -5.862 13.464 10.367 113 2HG ARG 12 3HG ARG 12 -4.513 13.362 9.235 114 1HD ARG 12 2HD ARG 12 -6.134 15.786 10.007 115 2HD ARG 12 3HD ARG 12 -4.389 15.568 10.083 116 HE ARG 12 HE ARG 12 -5.758 16.650 7.904 117 1HH1 ARG 12 1HH1 ARG 12 -2.749 15.496 8.650 118 2HH1 ARG 12 2HH1 ARG 12 -2.324 14.960 7.057 119 1HH2 ARG 12 1HH2 ARG 12 -5.521 15.397 5.780 120 2HH2 ARG 12 2HH2 ARG 12 -3.893 14.917 5.428 121 H SER 13 H SER 13 -8.035 10.227 9.926 122 HA SER 13 HA SER 13 -10.599 11.038 10.501 123 1HB SER 13 2HB SER 13 -10.531 9.571 12.411 124 2HB SER 13 3HB SER 13 -9.548 8.843 11.144 125 HG SER 13 HG SER 13 -7.781 10.114 12.252 126 H LYS 14 H LYS 14 -11.489 11.819 12.612 127 HA LYS 14 HA LYS 14 -9.796 13.975 13.729 128 1HB LYS 14 2HB LYS 14 -12.732 13.959 13.035 129 2HB LYS 14 3HB LYS 14 -12.021 15.162 14.115 130 1HG LYS 14 2HG LYS 14 -10.705 14.658 11.472 131 2HG LYS 14 3HG LYS 14 -12.189 15.612 11.504 132 1HD LYS 14 2HD LYS 14 -11.226 17.316 12.769 133 2HD LYS 14 3HD LYS 14 -9.989 16.256 13.447 134 1HE LYS 14 2HE LYS 14 -9.304 17.977 11.599 135 2HE LYS 14 3HE LYS 14 -8.674 16.331 11.509 136 1HZ LYS 14 1HZ LYS 14 -11.000 17.430 10.025 137 2HZ LYS 14 2HZ LYS 14 -10.549 15.793 10.020 138 3HZ LYS 14 3HZ LYS 14 -9.505 16.966 9.373 139 H GLU 15 H GLU 15 -13.000 13.357 14.852 140 HA GLU 15 HA GLU 15 -11.989 12.708 17.506 141 1HB GLU 15 2HB GLU 15 -14.569 12.720 17.965 142 2HB GLU 15 3HB GLU 15 -13.731 14.244 17.670 143 1HG GLU 15 2HG GLU 15 -14.512 14.375 15.432 144 2HG GLU 15 3HG GLU 15 -14.985 12.681 15.407 145 H ASN 16 H ASN 16 -12.960 11.015 14.759 146 HA ASN 16 HA ASN 16 -14.229 8.783 16.062 147 1HB ASN 16 2HB ASN 16 -14.715 9.310 13.721 148 2HB ASN 16 3HB ASN 16 -13.027 9.040 13.295 149 1HD2 ASN 16 2HD2 ASN 16 -15.114 7.104 15.492 150 2HD2 ASN 16 1HD2 ASN 16 -14.967 5.667 14.603 151 H GLN 17 H GLN 17 -13.158 7.443 17.348 152 HA GLN 17 HA GLN 17 -10.371 7.221 17.560 153 1HB GLN 17 2HB GLN 17 -12.218 6.462 19.207 154 2HB GLN 17 3HB GLN 17 -12.235 4.966 18.271 155 1HG GLN 17 2HG GLN 17 -10.623 4.420 19.837 156 2HG GLN 17 3HG GLN 17 -9.598 5.141 18.597 157 1HE2 GLN 17 2HE2 GLN 17 -10.790 5.504 21.854 158 2HE2 GLN 17 1HE2 GLN 17 -9.968 6.945 22.206 159 H HIS 18 H HIS 18 -9.231 6.762 15.746 160 HA HIS 18 HA HIS 18 -9.058 4.080 14.841 161 1HB HIS 18 2HB HIS 18 -10.828 5.923 13.323 162 2HB HIS 18 3HB HIS 18 -9.693 4.972 12.366 163 HD1 HIS 18 HD1 HIS 18 -9.638 2.294 13.486 164 HD2 HIS 18 HD2 HIS 18 -13.170 4.500 13.557 165 HE1 HIS 18 HE1 HIS 18 -11.518 0.624 13.777 166 H ASN 19 H ASN 19 -8.210 7.320 14.961 167 HA ASN 19 HA ASN 19 -6.283 8.447 14.512 168 1HB ASN 19 2HB ASN 19 -5.286 6.153 15.214 169 2HB ASN 19 3HB ASN 19 -5.028 5.908 13.489 170 1HD2 ASN 19 2HD2 ASN 19 -2.675 5.983 13.863 171 2HD2 ASN 19 1HD2 ASN 19 -1.894 7.464 14.135 172 H ASN 20 H ASN 20 -4.566 8.621 12.537 173 HA ASN 20 HA ASN 20 -6.227 9.129 10.221 174 1HB ASN 20 2HB ASN 20 -4.270 10.211 9.306 175 2HB ASN 20 3HB ASN 20 -4.448 10.703 10.988 176 1HD2 ASN 20 2HD2 ASN 20 -2.795 10.062 12.486 177 2HD2 ASN 20 1HD2 ASN 20 -1.401 9.224 12.005 178 H VAL 21 H VAL 21 -6.193 8.067 8.295 179 HA VAL 21 HA VAL 21 -4.505 5.638 8.126 180 HB VAL 21 HB VAL 21 -7.311 6.035 7.043 181 1HG1 VAL 21 1HG1 VAL 21 -7.021 3.437 6.864 182 2HG1 VAL 21 2HG1 VAL 21 -6.334 4.463 5.607 183 3HG1 VAL 21 3HG1 VAL 21 -5.297 3.803 6.876 184 1HG2 VAL 21 1HG2 VAL 21 -7.451 5.825 9.426 185 2HG2 VAL 21 2HG2 VAL 21 -7.811 4.227 8.774 186 3HG2 VAL 21 3HG2 VAL 21 -6.218 4.563 9.454 187 H MET 22 H MET 22 -4.411 4.862 5.741 188 HA MET 22 HA MET 22 -4.358 7.062 3.821 189 1HB MET 22 2HB MET 22 -2.130 7.181 4.788 190 2HB MET 22 3HB MET 22 -1.902 5.447 4.552 191 1HG MET 22 2HG MET 22 -2.039 5.708 2.137 192 2HG MET 22 3HG MET 22 -2.424 7.419 2.310 193 1HE MET 22 1HE MET 22 1.069 7.721 0.822 194 2HE MET 22 2HE MET 22 -0.601 8.285 0.816 195 3HE MET 22 3HE MET 22 -0.242 6.607 0.408 196 H ILE 23 H ILE 23 -4.969 6.392 1.866 197 HA ILE 23 HA ILE 23 -5.388 3.520 1.450 198 HB ILE 23 HB ILE 23 -6.298 5.743 -0.373 199 1HG1 ILE 23 2HG1 ILE 23 -7.079 6.317 1.881 200 2HG1 ILE 23 3HG1 ILE 23 -8.430 5.728 0.916 201 1HG2 ILE 23 1HG2 ILE 23 -6.448 3.393 -1.168 202 2HG2 ILE 23 2HG2 ILE 23 -7.416 2.991 0.251 203 3HG2 ILE 23 3HG2 ILE 23 -8.042 4.119 -0.953 204 1HD1 ILE 23 1HD1 ILE 23 -8.599 4.644 3.052 205 2HD1 ILE 23 2HD1 ILE 23 -7.997 3.429 1.925 206 3HD1 ILE 23 3HD1 ILE 23 -6.887 4.217 3.041 207 H ILE 24 H ILE 24 -4.503 2.370 -0.195 208 HA ILE 24 HA ILE 24 -2.695 3.718 -2.087 209 HB ILE 24 HB ILE 24 -1.938 1.552 -0.124 210 1HG1 ILE 24 2HG1 ILE 24 -0.547 4.079 -1.089 211 2HG1 ILE 24 3HG1 ILE 24 -1.459 3.938 0.414 212 1HG2 ILE 24 1HG2 ILE 24 0.170 1.327 -1.549 213 2HG2 ILE 24 2HG2 ILE 24 -1.284 0.593 -2.225 214 3HG2 ILE 24 3HG2 ILE 24 -0.719 2.147 -2.835 215 1HD1 ILE 24 1HD1 ILE 24 0.090 2.184 1.196 216 2HD1 ILE 24 2HD1 ILE 24 0.999 2.311 -0.311 217 3HD1 ILE 24 3HD1 ILE 24 0.964 3.666 0.817 218 H LYS 25 H LYS 25 -2.269 2.488 -3.969 219 HA LYS 25 HA LYS 25 -3.965 0.113 -4.395 220 1HB LYS 25 2HB LYS 25 -5.273 1.977 -5.215 221 2HB LYS 25 3HB LYS 25 -3.891 2.621 -6.094 222 1HG LYS 25 2HG LYS 25 -3.924 0.816 -7.661 223 2HG LYS 25 3HG LYS 25 -5.034 -0.125 -6.661 224 1HD LYS 25 2HD LYS 25 -6.721 1.748 -6.962 225 2HD LYS 25 3HD LYS 25 -5.629 2.438 -8.162 226 1HE LYS 25 2HE LYS 25 -5.703 0.151 -9.319 227 2HE LYS 25 3HE LYS 25 -7.064 -0.221 -8.262 228 1HZ LYS 25 1HZ LYS 25 -8.394 1.291 -9.276 229 2HZ LYS 25 2HZ LYS 25 -7.402 0.899 -10.599 230 3HZ LYS 25 3HZ LYS 25 -7.115 2.316 -9.706 231 HA PRO 26 HA PRO 26 0.230 -0.767 -5.919 232 1HB PRO 26 2HB PRO 26 -0.490 -3.557 -6.028 233 2HB PRO 26 3HB PRO 26 0.622 -2.750 -4.919 234 1HG PRO 26 2HG PRO 26 -1.907 -3.807 -4.318 235 2HG PRO 26 3HG PRO 26 -0.880 -2.822 -3.273 236 1HD PRO 26 2HD PRO 26 -3.338 -2.066 -4.662 237 2HD PRO 26 3HD PRO 26 -2.464 -1.200 -3.385 238 H LEU 27 H LEU 27 -0.827 0.367 -7.802 239 HA LEU 27 HA LEU 27 -1.378 0.525 -10.002 240 1HB LEU 27 2HB LEU 27 0.914 -0.609 -9.933 241 2HB LEU 27 3HB LEU 27 0.056 -2.092 -10.320 242 HG LEU 27 HG LEU 27 -0.931 -0.930 -12.320 243 1HD1 LEU 27 1HD1 LEU 27 0.698 1.158 -12.872 244 2HD1 LEU 27 2HD1 LEU 27 -0.855 1.346 -12.055 245 3HD1 LEU 27 3HD1 LEU 27 0.637 1.290 -11.114 246 1HD2 LEU 27 1HD2 LEU 27 1.122 -2.344 -12.488 247 2HD2 LEU 27 2HD2 LEU 27 1.125 -1.025 -13.662 248 3HD2 LEU 27 3HD2 LEU 27 2.106 -0.908 -12.199 249 H ASP 28 H ASP 28 -1.398 -3.022 -9.912 250 HA ASP 28 HA ASP 28 -4.222 -2.916 -10.773 251 1HB ASP 28 2HB ASP 28 -3.694 -5.315 -11.591 252 2HB ASP 28 3HB ASP 28 -3.081 -3.950 -12.524 253 H VAL 29 H VAL 29 -2.475 -5.752 -9.614 254 HA VAL 29 HA VAL 29 -3.120 -7.313 -8.052 255 HB VAL 29 HB VAL 29 -3.199 -4.704 -6.513 256 1HG1 VAL 29 1HG1 VAL 29 -4.026 -7.420 -5.679 257 2HG1 VAL 29 2HG1 VAL 29 -2.840 -6.662 -4.622 258 3HG1 VAL 29 3HG1 VAL 29 -4.376 -5.859 -4.938 259 1HG2 VAL 29 1HG2 VAL 29 -0.999 -5.346 -7.301 260 2HG2 VAL 29 2HG2 VAL 29 -1.074 -5.710 -5.575 261 3HG2 VAL 29 3HG2 VAL 29 -1.238 -7.008 -6.760 262 H ASN 30 H ASN 30 -5.011 -7.166 -9.709 263 HA ASN 30 HA ASN 30 -7.528 -6.354 -8.500 264 1HB ASN 30 2HB ASN 30 -8.405 -7.167 -10.766 265 2HB ASN 30 3HB ASN 30 -7.348 -5.765 -10.780 266 1HD2 ASN 30 2HD2 ASN 30 -5.566 -5.896 -12.151 267 2HD2 ASN 30 1HD2 ASN 30 -4.957 -7.337 -12.812 268 H SER 31 H SER 31 -6.282 -8.387 -7.081 269 HA SER 31 HA SER 31 -8.309 -10.452 -7.202 270 1HB SER 31 2HB SER 31 -6.986 -11.633 -8.686 271 2HB SER 31 3HB SER 31 -5.488 -10.944 -8.065 272 HG SER 31 HG SER 31 -6.790 -13.208 -7.346 273 H ARG 32 H ARG 32 -8.876 -10.786 -5.181 274 HA ARG 32 HA ARG 32 -7.510 -9.827 -2.925 275 1HB ARG 32 2HB ARG 32 -9.862 -10.256 -2.785 276 2HB ARG 32 3HB ARG 32 -9.650 -11.941 -3.248 277 1HG ARG 32 2HG ARG 32 -8.392 -12.359 -1.161 278 2HG ARG 32 3HG ARG 32 -8.613 -10.671 -0.695 279 1HD ARG 32 2HD ARG 32 -11.161 -11.203 -1.089 280 2HD ARG 32 3HD ARG 32 -10.646 -12.874 -0.864 281 HE ARG 32 HE ARG 32 -10.664 -10.766 1.161 282 1HH1 ARG 32 1HH2 ARG 32 -8.611 -13.334 0.431 283 2HH1 ARG 32 2HH2 ARG 32 -8.810 -14.161 1.939 284 1HH2 ARG 32 1HH1 ARG 32 -11.384 -12.110 3.026 285 2HH2 ARG 32 2HH1 ARG 32 -10.382 -13.470 3.407 286 H GLU 33 H GLU 33 -7.254 -12.787 -4.736 287 HA GLU 33 HA GLU 33 -5.945 -14.404 -2.823 288 1HB GLU 33 2HB GLU 33 -6.800 -15.280 -4.976 289 2HB GLU 33 3HB GLU 33 -5.580 -14.349 -5.838 290 1HG GLU 33 2HG GLU 33 -4.780 -16.292 -3.678 291 2HG GLU 33 3HG GLU 33 -5.100 -16.854 -5.317 292 H GLU 34 H GLU 34 -4.833 -11.960 -5.095 293 HA GLU 34 HA GLU 34 -2.044 -12.280 -4.324 294 1HB GLU 34 2HB GLU 34 -3.012 -11.624 -6.674 295 2HB GLU 34 3HB GLU 34 -3.086 -10.005 -5.979 296 1HG GLU 34 2HG GLU 34 -0.942 -9.947 -6.824 297 2HG GLU 34 3HG GLU 34 -0.608 -10.590 -5.220 298 H ALA 35 H ALA 35 -4.602 -9.808 -4.054 299 HA ALA 35 HA ALA 35 -3.148 -7.864 -2.666 300 1HB ALA 35 1HB ALA 35 -6.005 -8.305 -1.927 301 2HB ALA 35 2HB ALA 35 -5.169 -6.812 -2.339 302 3HB ALA 35 3HB ALA 35 -5.646 -7.937 -3.611 303 H SER 36 H SER 36 -5.345 -10.330 -1.281 304 HA SER 36 HA SER 36 -4.761 -9.913 1.409 305 1HB SER 36 2HB SER 36 -6.564 -11.403 0.512 306 2HB SER 36 3HB SER 36 -5.326 -12.589 0.107 307 HG SER 36 HG SER 36 -6.298 -11.763 2.592 308 H LYS 37 H LYS 37 -2.857 -11.413 -1.069 309 HA LYS 37 HA LYS 37 -1.147 -12.952 0.601 310 1HB LYS 37 2HB LYS 37 -1.550 -12.948 -2.020 311 2HB LYS 37 3HB LYS 37 -0.153 -11.873 -1.989 312 1HG LYS 37 2HG LYS 37 1.076 -13.568 -0.633 313 2HG LYS 37 3HG LYS 37 -0.304 -14.655 -0.797 314 1HD LYS 37 2HD LYS 37 0.919 -15.383 -2.607 315 2HD LYS 37 3HD LYS 37 0.039 -14.071 -3.388 316 1HE LYS 37 2HE LYS 37 2.284 -13.683 -4.004 317 2HE LYS 37 3HE LYS 37 2.017 -12.568 -2.665 318 1HZ LYS 37 1HZ LYS 37 3.920 -14.599 -2.853 319 2HZ LYS 37 2HZ LYS 37 2.829 -15.052 -1.634 320 3HZ LYS 37 3HZ LYS 37 3.632 -13.558 -1.547 321 H LEU 38 H LEU 38 -0.465 -9.893 -1.152 322 HA LEU 38 HA LEU 38 1.913 -9.472 0.423 323 1HB LEU 38 2HB LEU 38 2.478 -7.912 -1.123 324 2HB LEU 38 3HB LEU 38 1.224 -8.699 -2.074 325 HG LEU 38 HG LEU 38 0.866 -6.217 -0.359 326 1HD1 LEU 38 1HD1 LEU 38 2.128 -6.036 -2.572 327 2HD1 LEU 38 2HD1 LEU 38 0.613 -6.486 -3.356 328 3HD1 LEU 38 3HD1 LEU 38 0.707 -5.008 -2.396 329 1HD2 LEU 38 1HD2 LEU 38 -1.265 -7.094 -0.286 330 2HD2 LEU 38 2HD2 LEU 38 -1.350 -6.311 -1.861 331 3HD2 LEU 38 3HD2 LEU 38 -1.039 -8.043 -1.757 332 H ILE 39 H ILE 39 -1.109 -9.319 1.379 333 HA ILE 39 HA ILE 39 -1.644 -6.812 2.439 334 HB ILE 39 HB ILE 39 -3.082 -8.932 2.476 335 1HG1 ILE 39 2HG1 ILE 39 -2.899 -7.336 5.055 336 2HG1 ILE 39 3HG1 ILE 39 -3.688 -6.766 3.581 337 1HG2 ILE 39 1HG2 ILE 39 -1.302 -10.301 3.638 338 2HG2 ILE 39 2HG2 ILE 39 -1.630 -9.371 5.100 339 3HG2 ILE 39 3HG2 ILE 39 -2.891 -10.383 4.396 340 1HD1 ILE 39 1HD1 ILE 39 -5.507 -7.680 4.689 341 2HD1 ILE 39 2HD1 ILE 39 -4.969 -9.088 3.774 342 3HD1 ILE 39 3HD1 ILE 39 -4.539 -8.922 5.477 343 H GLY 40 H GLY 40 0.968 -8.855 3.137 344 1HA GLY 40 1HA GLY 40 1.500 -7.465 5.698 345 2HA GLY 40 2HA GLY 40 2.040 -9.101 5.341 346 H ARG 41 H ARG 41 2.333 -7.282 2.555 347 HA ARG 41 HA ARG 41 5.191 -7.301 2.673 348 1HB ARG 41 2HB ARG 41 3.128 -6.627 0.682 349 2HB ARG 41 3HB ARG 41 4.612 -5.686 0.540 350 1HG ARG 41 2HG ARG 41 4.511 -8.714 0.719 351 2HG ARG 41 3HG ARG 41 4.677 -7.810 -0.784 352 1HD ARG 41 2HD ARG 41 6.908 -7.873 -0.439 353 2HD ARG 41 3HD ARG 41 6.647 -6.728 0.874 354 HE ARG 41 HE ARG 41 6.766 -8.527 2.418 355 1HH1 ARG 41 1HH1 ARG 41 6.134 -9.990 -0.570 356 2HH1 ARG 41 2HH1 ARG 41 7.176 -11.349 -0.319 357 1HH2 ARG 41 1HH2 ARG 41 8.543 -10.110 2.609 358 2HH2 ARG 41 2HH2 ARG 41 8.541 -11.413 1.469 359 H LEU 42 H LEU 42 6.607 -5.484 2.500 360 HA LEU 42 HA LEU 42 5.671 -3.179 4.070 361 1HB LEU 42 2HB LEU 42 7.602 -4.192 5.017 362 2HB LEU 42 3HB LEU 42 8.405 -4.303 3.455 363 HG LEU 42 HG LEU 42 7.625 -1.558 4.280 364 1HD1 LEU 42 1HD1 LEU 42 9.852 -1.534 5.659 365 2HD1 LEU 42 2HD1 LEU 42 8.371 -2.102 6.434 366 3HD1 LEU 42 3HD1 LEU 42 9.559 -3.264 5.835 367 1HD2 LEU 42 1HD2 LEU 42 8.908 -1.835 2.265 368 2HD2 LEU 42 2HD2 LEU 42 10.021 -1.190 3.469 369 3HD2 LEU 42 3HD2 LEU 42 10.055 -2.907 3.068 370 H VAL 43 H VAL 43 5.448 -1.216 3.214 371 HA VAL 43 HA VAL 43 6.079 -0.825 0.371 372 HB VAL 43 HB VAL 43 4.625 1.118 0.519 373 1HG1 VAL 43 1HG1 VAL 43 2.542 -0.038 1.014 374 2HG1 VAL 43 2HG1 VAL 43 3.649 -1.167 0.236 375 3HG1 VAL 43 3HG1 VAL 43 3.398 -1.238 1.979 376 1HG2 VAL 43 1HG2 VAL 43 3.368 1.316 2.825 377 2HG2 VAL 43 2HG2 VAL 43 4.822 0.553 3.465 378 3HG2 VAL 43 3HG2 VAL 43 4.936 2.095 2.620 379 H LEU 44 H LEU 44 7.847 0.175 -0.223 380 HA LEU 44 HA LEU 44 9.098 2.115 1.632 381 1HB LEU 44 2HB LEU 44 10.353 -0.077 1.244 382 2HB LEU 44 3HB LEU 44 10.578 0.462 -0.417 383 HG LEU 44 HG LEU 44 11.337 2.246 1.897 384 1HD1 LEU 44 1HD1 LEU 44 12.507 0.113 2.259 385 2HD1 LEU 44 2HD1 LEU 44 13.051 0.112 0.581 386 3HD1 LEU 44 3HD1 LEU 44 13.644 1.340 1.699 387 1HD2 LEU 44 1HD2 LEU 44 13.096 2.820 0.008 388 2HD2 LEU 44 2HD2 LEU 44 11.914 2.049 -1.049 389 3HD2 LEU 44 3HD2 LEU 44 11.457 3.461 -0.098 390 H TRP 45 H TRP 45 8.352 3.970 0.842 391 HA TRP 45 HA TRP 45 8.409 4.549 -2.039 392 1HB TRP 45 2HB TRP 45 6.350 5.150 -0.909 393 2HB TRP 45 3HB TRP 45 7.231 6.012 0.346 394 HD1 TRP 45 HD1 TRP 45 6.553 6.232 -3.459 395 HE1 TRP 45 HE1 TRP 45 6.616 8.724 -4.143 396 HE3 TRP 45 HE3 TRP 45 7.932 8.340 0.990 397 HZ2 TRP 45 HZ2 TRP 45 7.205 11.256 -2.967 398 HZ3 TRP 45 HZ3 TRP 45 8.237 10.791 1.174 399 HH2 TRP 45 HH2 TRP 45 7.878 12.251 -0.797 400 H LYS 46 H LYS 46 9.822 5.964 -2.930 401 HA LYS 46 HA LYS 46 12.133 6.730 -1.383 402 1HB LYS 46 2HB LYS 46 11.371 7.068 -4.286 403 2HB LYS 46 3HB LYS 46 12.900 7.625 -3.607 404 1HG LYS 46 2HG LYS 46 12.574 4.972 -2.692 405 2HG LYS 46 3HG LYS 46 12.144 4.949 -4.399 406 1HD LYS 46 2HD LYS 46 14.488 4.603 -4.380 407 2HD LYS 46 3HD LYS 46 14.300 6.312 -4.778 408 1HE LYS 46 2HE LYS 46 14.753 6.958 -2.489 409 2HE LYS 46 3HE LYS 46 14.748 5.275 -1.965 410 1HZ LYS 46 1HZ LYS 46 16.583 6.069 -4.104 411 2HZ LYS 46 2HZ LYS 46 16.762 4.869 -2.915 412 3HZ LYS 46 3HZ LYS 46 16.971 6.506 -2.513 413 H SER 47 H SER 47 13.062 8.911 -1.586 414 HA SER 47 HA SER 47 11.519 11.186 -2.228 415 1HB SER 47 2HB SER 47 10.181 11.231 -0.403 416 2HB SER 47 3HB SER 47 11.174 10.081 0.477 417 HG SER 47 HG SER 47 11.889 12.797 0.046 418 HA PRO 48 HA PRO 48 16.070 11.760 -1.743 419 1HB PRO 48 2HB PRO 48 16.064 13.009 -4.347 420 2HB PRO 48 3HB PRO 48 16.806 11.473 -3.871 421 1HG PRO 48 2HG PRO 48 14.631 11.760 -5.555 422 2HG PRO 48 3HG PRO 48 15.112 10.272 -4.729 423 1HD PRO 48 2HD PRO 48 12.899 12.154 -4.069 424 2HD PRO 48 3HD PRO 48 13.035 10.411 -3.749 425 H SER 49 H SER 49 17.214 13.715 -1.398 426 HA SER 49 HA SER 49 17.482 15.933 -0.868 427 1HB SER 49 2HB SER 49 16.227 16.054 -3.270 428 2HB SER 49 3HB SER 49 15.016 16.834 -2.252 429 HG SER 49 HG SER 49 17.568 17.640 -1.700 430 H GLY 50 H GLY 50 15.144 13.971 0.153 431 1HA GLY 50 1HA GLY 50 14.170 15.913 2.140 432 2HA GLY 50 2HA GLY 50 13.030 14.860 1.308 433 H LYS 51 H LYS 51 12.987 12.649 1.781 434 HA LYS 51 HA LYS 51 14.835 11.313 3.469 435 1HB LYS 51 2HB LYS 51 13.950 12.787 5.199 436 2HB LYS 51 3HB LYS 51 12.308 12.306 4.803 437 1HG LYS 51 2HG LYS 51 12.676 10.067 5.562 438 2HG LYS 51 3HG LYS 51 14.420 10.318 5.666 439 1HD LYS 51 2HD LYS 51 13.196 10.407 7.886 440 2HD LYS 51 3HD LYS 51 14.177 11.828 7.519 441 1HE LYS 51 2HE LYS 51 12.286 13.131 6.951 442 2HE LYS 51 3HE LYS 51 11.251 11.711 6.795 443 1HZ LYS 51 1HZ LYS 51 12.336 11.725 9.369 444 2HZ LYS 51 2HZ LYS 51 10.711 11.917 8.914 445 3HZ LYS 51 3HZ LYS 51 11.720 13.275 9.068 446 H ILE 52 H ILE 52 14.477 9.150 3.437 447 HA ILE 52 HA ILE 52 12.390 8.116 1.741 448 HB ILE 52 HB ILE 52 14.201 6.531 3.570 449 1HG1 ILE 52 2HG1 ILE 52 15.603 8.093 2.317 450 2HG1 ILE 52 3HG1 ILE 52 15.798 6.472 1.658 451 1HG2 ILE 52 1HG2 ILE 52 13.933 4.798 1.869 452 2HG2 ILE 52 2HG2 ILE 52 12.344 5.339 2.408 453 3HG2 ILE 52 3HG2 ILE 52 12.988 5.896 0.863 454 1HD1 ILE 52 1HD1 ILE 52 13.903 7.163 0.008 455 2HD1 ILE 52 2HD1 ILE 52 14.299 8.812 0.492 456 3HD1 ILE 52 3HD1 ILE 52 15.525 7.795 -0.267 457 H LEU 53 H LEU 53 10.598 6.848 2.366 458 HA LEU 53 HA LEU 53 10.072 6.669 5.272 459 1HB LEU 53 2HB LEU 53 8.235 7.891 3.212 460 2HB LEU 53 3HB LEU 53 7.690 7.374 4.807 461 HG LEU 53 HG LEU 53 9.866 9.425 4.261 462 1HD1 LEU 53 1HD1 LEU 53 8.290 11.070 4.987 463 2HD1 LEU 53 2HD1 LEU 53 7.440 10.076 3.804 464 3HD1 LEU 53 3HD1 LEU 53 7.151 9.837 5.526 465 1HD2 LEU 53 1HD2 LEU 53 8.923 8.025 6.718 466 2HD2 LEU 53 2HD2 LEU 53 10.511 8.697 6.350 467 3HD2 LEU 53 3HD2 LEU 53 9.199 9.759 6.862 468 H LYS 54 H LYS 54 9.631 4.681 5.792 469 HA LYS 54 HA LYS 54 8.679 2.755 3.820 470 1HB LYS 54 2HB LYS 54 9.510 2.388 6.710 471 2HB LYS 54 3HB LYS 54 9.176 1.104 5.559 472 1HG LYS 54 2HG LYS 54 11.447 1.197 5.250 473 2HG LYS 54 3HG LYS 54 11.003 2.491 4.135 474 1HD LYS 54 2HD LYS 54 11.438 4.180 5.794 475 2HD LYS 54 3HD LYS 54 11.629 2.967 7.060 476 1HE LYS 54 2HE LYS 54 13.607 2.059 5.882 477 2HE LYS 54 3HE LYS 54 13.426 3.300 4.642 478 1HZ LYS 54 1HZ LYS 54 14.845 3.535 6.959 479 2HZ LYS 54 2HZ LYS 54 13.418 4.396 7.279 480 3HZ LYS 54 3HZ LYS 54 14.379 4.807 5.942 481 H GLY 55 H GLY 55 7.115 1.039 4.900 482 1HA GLY 55 1HA GLY 55 5.154 2.038 6.751 483 2HA GLY 55 2HA GLY 55 4.559 2.031 5.092 484 H LYS 56 H LYS 56 3.071 0.459 6.450 485 HA LYS 56 HA LYS 56 3.825 -2.234 5.645 486 1HB LYS 56 2HB LYS 56 4.659 -1.729 8.080 487 2HB LYS 56 3HB LYS 56 2.956 -1.914 8.501 488 1HG LYS 56 2HG LYS 56 3.061 -4.131 7.173 489 2HG LYS 56 3HG LYS 56 4.813 -3.951 7.270 490 1HD LYS 56 2HD LYS 56 4.631 -3.779 9.749 491 2HD LYS 56 3HD LYS 56 2.896 -4.075 9.618 492 1HE LYS 56 2HE LYS 56 3.292 -6.270 8.639 493 2HE LYS 56 3HE LYS 56 5.028 -5.967 8.586 494 1HZ LYS 56 1HZ LYS 56 3.484 -5.910 11.108 495 2HZ LYS 56 2HZ LYS 56 5.168 -5.991 10.913 496 3HZ LYS 56 3HZ LYS 56 4.200 -7.328 10.511 497 H ILE 57 H ILE 57 2.097 -3.268 4.886 498 HA ILE 57 HA ILE 57 -0.502 -2.052 4.951 499 HB ILE 57 HB ILE 57 0.291 -4.829 4.027 500 1HG1 ILE 57 2HG1 ILE 57 -0.108 -2.455 2.214 501 2HG1 ILE 57 3HG1 ILE 57 1.455 -2.708 2.991 502 1HG2 ILE 57 1HG2 ILE 57 -2.134 -3.076 3.562 503 2HG2 ILE 57 2HG2 ILE 57 -1.755 -4.469 2.550 504 3HG2 ILE 57 3HG2 ILE 57 -2.090 -4.691 4.266 505 1HD1 ILE 57 1HD1 ILE 57 0.995 -3.791 0.639 506 2HD1 ILE 57 2HD1 ILE 57 1.840 -4.724 1.874 507 3HD1 ILE 57 3HD1 ILE 57 0.124 -5.002 1.579 508 H VAL 58 H VAL 58 -2.123 -2.402 6.363 509 HA VAL 58 HA VAL 58 -1.707 -4.442 8.455 510 HB VAL 58 HB VAL 58 -3.630 -3.110 9.571 511 1HG1 VAL 58 1HG1 VAL 58 -0.962 -1.744 9.132 512 2HG1 VAL 58 2HG1 VAL 58 -2.032 -1.545 10.521 513 3HG1 VAL 58 3HG1 VAL 58 -1.224 -3.086 10.244 514 1HG2 VAL 58 1HG2 VAL 58 -3.827 -0.779 8.852 515 2HG2 VAL 58 2HG2 VAL 58 -2.663 -1.050 7.556 516 3HG2 VAL 58 3HG2 VAL 58 -4.242 -1.838 7.507 517 H ARG 59 H ARG 59 -4.203 -3.162 6.276 518 HA ARG 59 HA ARG 59 -5.453 -5.815 6.225 519 1HB ARG 59 2HB ARG 59 -7.101 -3.327 6.669 520 2HB ARG 59 3HB ARG 59 -7.644 -5.004 6.702 521 1HG ARG 59 2HG ARG 59 -6.065 -5.368 8.658 522 2HG ARG 59 3HG ARG 59 -5.828 -3.621 8.697 523 1HD ARG 59 2HD ARG 59 -8.015 -3.202 9.374 524 2HD ARG 59 3HD ARG 59 -8.622 -4.712 8.701 525 HE ARG 59 HE ARG 59 -8.204 -5.679 10.757 526 1HH1 ARG 59 1HH1 ARG 59 -8.144 -3.176 12.289 527 2HH1 ARG 59 2HH1 ARG 59 -6.565 -3.165 12.997 528 1HH2 ARG 59 1HH2 ARG 59 -5.281 -5.538 10.818 529 2HH2 ARG 59 2HH2 ARG 59 -4.944 -4.499 12.164 530 H VAL 60 H VAL 60 -6.941 -6.091 4.472 531 HA VAL 60 HA VAL 60 -6.090 -4.647 2.089 532 HB VAL 60 HB VAL 60 -6.396 -7.215 2.330 533 1HG1 VAL 60 1HG1 VAL 60 -9.208 -6.707 1.447 534 2HG1 VAL 60 2HG1 VAL 60 -8.518 -8.123 2.238 535 3HG1 VAL 60 3HG1 VAL 60 -8.865 -6.672 3.178 536 1HG2 VAL 60 1HG2 VAL 60 -7.399 -7.249 -0.075 537 2HG2 VAL 60 2HG2 VAL 60 -7.366 -5.491 0.055 538 3HG2 VAL 60 3HG2 VAL 60 -5.869 -6.413 0.184 539 H HIS 61 H HIS 61 -7.624 -3.748 0.579 540 HA HIS 61 HA HIS 61 -10.272 -3.087 1.670 541 1HB HIS 61 2HB HIS 61 -8.851 -1.209 2.309 542 2HB HIS 61 3HB HIS 61 -8.268 -1.054 0.652 543 HD1 HIS 61 HD1 HIS 61 -11.347 -0.554 2.766 544 HD2 HIS 61 HD2 HIS 61 -10.054 0.265 -1.111 545 HE1 HIS 61 HE1 HIS 61 -13.084 0.975 1.742 546 H GLY 62 H GLY 62 -11.700 -3.677 0.186 547 1HA GLY 62 1HA GLY 62 -12.775 -3.500 -1.913 548 2HA GLY 62 2HA GLY 62 -11.244 -3.009 -2.633 549 H THR 63 H THR 63 -10.696 -5.541 -0.572 550 HA THR 63 HA THR 63 -10.097 -7.718 -0.825 551 HB THR 63 HB THR 63 -11.626 -9.188 -1.971 552 HG1 THR 63 HG1 THR 63 -13.255 -7.268 -2.998 553 1HG2 THR 63 1HG2 THR 63 -13.276 -6.886 -0.921 554 2HG2 THR 63 2HG2 THR 63 -13.658 -8.606 -0.866 555 3HG2 THR 63 3HG2 THR 63 -12.358 -7.961 0.133 556 H LYS 64 H LYS 64 -11.128 -7.579 -4.177 557 HA LYS 64 HA LYS 64 -8.414 -8.258 -5.018 558 1HB LYS 64 2HB LYS 64 -9.591 -8.571 -7.262 559 2HB LYS 64 3HB LYS 64 -10.090 -9.653 -5.963 560 1HG LYS 64 2HG LYS 64 -12.059 -8.300 -5.514 561 2HG LYS 64 3HG LYS 64 -11.533 -7.082 -6.676 562 1HD LYS 64 2HD LYS 64 -11.861 -8.562 -8.520 563 2HD LYS 64 3HD LYS 64 -12.032 -9.960 -7.459 564 1HE LYS 64 2HE LYS 64 -13.934 -7.614 -7.333 565 2HE LYS 64 3HE LYS 64 -14.199 -8.979 -8.418 566 1HZ LYS 64 1HZ LYS 64 -13.575 -10.051 -5.945 567 2HZ LYS 64 2HZ LYS 64 -15.086 -10.057 -6.722 568 3HZ LYS 64 3HZ LYS 64 -14.687 -8.809 -5.641 569 H GLY 65 H GLY 65 -8.208 -5.750 -4.178 570 1HA GLY 65 1HA GLY 65 -7.689 -4.279 -6.599 571 2HA GLY 65 2HA GLY 65 -8.927 -3.582 -5.563 572 H ALA 66 H ALA 66 -8.154 -2.012 -4.471 573 HA ALA 66 HA ALA 66 -5.415 -1.547 -3.878 574 1HB ALA 66 1HB ALA 66 -8.010 -0.212 -3.332 575 2HB ALA 66 2HB ALA 66 -6.656 0.209 -2.285 576 3HB ALA 66 3HB ALA 66 -6.526 0.441 -4.028 577 H VAL 67 H VAL 67 -5.029 -0.713 -1.452 578 HA VAL 67 HA VAL 67 -6.036 -2.621 0.519 579 HB VAL 67 HB VAL 67 -3.913 -3.498 1.136 580 1HG1 VAL 67 1HG1 VAL 67 -3.895 -3.379 -1.897 581 2HG1 VAL 67 2HG1 VAL 67 -3.140 -4.611 -0.887 582 3HG1 VAL 67 3HG1 VAL 67 -4.898 -4.479 -0.953 583 1HG2 VAL 67 1HG2 VAL 67 -2.871 -1.236 -0.547 584 2HG2 VAL 67 2HG2 VAL 67 -2.393 -1.726 1.079 585 3HG2 VAL 67 3HG2 VAL 67 -1.873 -2.670 -0.319 586 H ARG 68 H ARG 68 -5.442 -2.020 2.727 587 HA ARG 68 HA ARG 68 -5.323 0.875 3.013 588 1HB ARG 68 2HB ARG 68 -6.981 -0.355 4.322 589 2HB ARG 68 3HB ARG 68 -5.707 -1.321 5.064 590 1HG ARG 68 2HG ARG 68 -4.843 0.518 6.265 591 2HG ARG 68 3HG ARG 68 -5.675 1.689 5.242 592 1HD ARG 68 2HD ARG 68 -6.630 1.142 7.629 593 2HD ARG 68 3HD ARG 68 -7.733 1.340 6.272 594 HE ARG 68 HE ARG 68 -6.830 -1.389 6.811 595 1HH1 ARG 68 1HH2 ARG 68 -8.940 0.891 8.176 596 2HH1 ARG 68 2HH2 ARG 68 -10.340 -0.124 8.138 597 1HH2 ARG 68 1HH1 ARG 68 -8.790 -2.644 6.336 598 2HH2 ARG 68 2HH1 ARG 68 -10.257 -2.124 7.097 599 H ALA 69 H ALA 69 -3.824 1.982 4.283 600 HA ALA 69 HA ALA 69 -1.456 0.577 5.262 601 1HB ALA 69 1HB ALA 69 -0.070 2.425 4.029 602 2HB ALA 69 2HB ALA 69 -0.574 0.987 3.139 603 3HB ALA 69 3HB ALA 69 -1.464 2.498 2.952 604 H ARG 70 H ARG 70 -0.092 1.988 6.589 605 HA ARG 70 HA ARG 70 -1.268 4.542 7.401 606 1HB ARG 70 2HB ARG 70 -0.847 2.237 9.318 607 2HB ARG 70 3HB ARG 70 -1.241 3.888 9.794 608 1HG ARG 70 2HG ARG 70 -3.291 3.657 8.242 609 2HG ARG 70 3HG ARG 70 -2.950 1.925 8.261 610 1HD ARG 70 2HD ARG 70 -3.794 3.709 10.527 611 2HD ARG 70 3HD ARG 70 -4.448 2.148 10.042 612 HE ARG 70 HE ARG 70 -1.751 1.832 10.863 613 1HH1 ARG 70 1HH2 ARG 70 -4.620 3.055 12.310 614 2HH1 ARG 70 2HH2 ARG 70 -4.449 2.145 13.773 615 1HH2 ARG 70 1HH1 ARG 70 -1.649 0.415 12.677 616 2HH2 ARG 70 2HH1 ARG 70 -2.757 0.660 13.986 617 H PHE 71 H PHE 71 0.322 5.961 7.583 618 HA PHE 71 HA PHE 71 3.068 4.996 8.030 619 1HB PHE 71 2HB PHE 71 1.913 7.490 6.798 620 2HB PHE 71 3HB PHE 71 3.598 7.429 7.324 621 HD1 PHE 71 HD1 PHE 71 5.241 6.439 5.952 622 HD2 PHE 71 HD2 PHE 71 1.086 5.610 5.233 623 HE1 PHE 71 HE1 PHE 71 5.840 5.226 3.874 624 HE2 PHE 71 HE2 PHE 71 1.688 4.399 3.156 625 HZ PHE 71 HZ PHE 71 4.068 4.208 2.477 626 H GLU 72 H GLU 72 3.826 5.124 10.033 627 HA GLU 72 HA GLU 72 2.548 6.636 12.102 628 1HB GLU 72 2HB GLU 72 5.335 5.461 12.187 629 2HB GLU 72 3HB GLU 72 4.258 5.783 13.546 630 1HG GLU 72 2HG GLU 72 2.690 4.074 12.733 631 2HG GLU 72 3HG GLU 72 3.722 3.772 11.336 632 H LYS 73 H LYS 73 5.061 7.221 9.805 633 HA LYS 73 HA LYS 73 6.198 9.490 11.207 634 1HB LYS 73 2HB LYS 73 6.681 8.105 8.593 635 2HB LYS 73 3HB LYS 73 7.288 9.745 8.820 636 1HG LYS 73 2HG LYS 73 9.013 8.142 9.485 637 2HG LYS 73 3HG LYS 73 8.430 9.005 10.908 638 1HD LYS 73 2HD LYS 73 6.987 7.126 11.506 639 2HD LYS 73 3HD LYS 73 7.435 6.273 10.030 640 1HE LYS 73 2HE LYS 73 9.606 7.160 11.900 641 2HE LYS 73 3HE LYS 73 8.658 5.734 12.318 642 1HZ LYS 73 1HZ LYS 73 9.630 4.540 10.729 643 2HZ LYS 73 2HZ LYS 73 10.804 5.766 10.670 644 3HZ LYS 73 3HZ LYS 73 9.505 5.776 9.574 645 H GLY 74 H GLY 74 5.063 9.380 7.853 646 1HA GLY 74 1HA GLY 74 2.960 10.664 7.323 647 2HA GLY 74 2HA GLY 74 3.651 11.940 8.322 648 H LEU 75 H LEU 75 2.907 11.993 5.481 649 HA LEU 75 HA LEU 75 5.504 12.262 4.134 650 1HB LEU 75 2HB LEU 75 2.782 12.632 2.886 651 2HB LEU 75 3HB LEU 75 4.306 12.243 2.089 652 HG LEU 75 HG LEU 75 2.813 10.441 4.021 653 1HD1 LEU 75 1HD1 LEU 75 1.955 9.317 2.217 654 2HD1 LEU 75 2HD1 LEU 75 2.109 10.897 1.457 655 3HD1 LEU 75 3HD1 LEU 75 3.347 9.668 1.198 656 1HD2 LEU 75 1HD2 LEU 75 5.479 10.266 2.639 657 2HD2 LEU 75 2HD2 LEU 75 5.065 9.865 4.304 658 3HD2 LEU 75 3HD2 LEU 75 4.579 8.792 2.990 659 HA PRO 76 HA PRO 76 5.827 16.639 4.488 660 1HB PRO 76 2HB PRO 76 6.273 17.082 1.677 661 2HB PRO 76 3HB PRO 76 7.461 17.069 2.989 662 1HG PRO 76 2HG PRO 76 6.872 15.029 1.014 663 2HG PRO 76 3HG PRO 76 8.249 15.163 2.115 664 1HD PRO 76 2HD PRO 76 6.234 13.270 2.337 665 2HD PRO 76 3HD PRO 76 7.299 13.775 3.664 666 H GLY 77 H GLY 77 5.053 18.713 3.170 667 1HA GLY 77 1HA GLY 77 2.227 18.701 3.205 668 2HA GLY 77 2HA GLY 77 3.236 20.006 2.596 669 H GLN 78 H GLN 78 4.249 17.438 0.871 670 HA GLN 78 HA GLN 78 2.096 17.598 -1.133 671 1HB GLN 78 2HB GLN 78 4.302 19.094 -1.467 672 2HB GLN 78 3HB GLN 78 4.892 17.583 -2.148 673 1HG GLN 78 2HG GLN 78 2.538 19.251 -3.045 674 2HG GLN 78 3HG GLN 78 3.939 18.751 -3.983 675 1HE2 GLN 78 2HE2 GLN 78 0.808 17.652 -2.710 676 2HE2 GLN 78 1HE2 GLN 78 0.753 16.224 -3.624 677 H ALA 79 H ALA 79 4.068 16.153 -2.949 678 HA ALA 79 HA ALA 79 4.563 14.006 -3.549 679 1HB ALA 79 1HB ALA 79 5.517 12.579 -1.966 680 2HB ALA 79 2HB ALA 79 5.791 14.168 -1.255 681 3HB ALA 79 3HB ALA 79 4.473 13.154 -0.667 682 H LEU 80 H LEU 80 1.790 14.865 -1.858 683 HA LEU 80 HA LEU 80 0.447 12.374 -1.651 684 1HB LEU 80 2HB LEU 80 -0.101 14.768 -0.652 685 2HB LEU 80 3HB LEU 80 -1.058 14.920 -2.125 686 HG LEU 80 HG LEU 80 -1.287 12.636 -0.139 687 1HD1 LEU 80 1HD1 LEU 80 -2.230 14.482 0.977 688 2HD1 LEU 80 2HD1 LEU 80 -2.828 15.199 -0.519 689 3HD1 LEU 80 3HD1 LEU 80 -3.619 13.771 0.148 690 1HD2 LEU 80 1HD2 LEU 80 -2.030 11.741 -2.161 691 2HD2 LEU 80 2HD2 LEU 80 -3.520 12.446 -1.534 692 3HD2 LEU 80 3HD2 LEU 80 -2.593 13.303 -2.764 693 H GLY 81 H GLY 81 0.464 11.156 -3.482 694 1HA GLY 81 1HA GLY 81 -1.177 10.772 -5.346 695 2HA GLY 81 2HA GLY 81 -0.687 12.357 -5.933 696 H ASP 82 H ASP 82 1.994 10.930 -4.575 697 HA ASP 82 HA ASP 82 3.250 10.526 -7.110 698 1HB ASP 82 2HB ASP 82 5.212 9.920 -5.817 699 2HB ASP 82 3HB ASP 82 4.452 11.331 -5.090 700 H TYR 83 H TYR 83 4.628 8.432 -7.325 701 HA TYR 83 HA TYR 83 2.740 6.191 -7.297 702 1HB TYR 83 2HB TYR 83 5.237 6.866 -8.799 703 2HB TYR 83 3HB TYR 83 4.851 5.162 -8.560 704 HD1 TYR 83 HD1 TYR 83 2.836 8.259 -9.262 705 HD2 TYR 83 HD2 TYR 83 3.785 4.229 -10.401 706 HE1 TYR 83 HE1 TYR 83 1.158 8.380 -11.080 707 HE2 TYR 83 HE2 TYR 83 2.104 4.346 -12.217 708 HH TYR 83 HH TYR 83 0.695 5.663 -13.340 709 H VAL 84 H VAL 84 2.897 4.585 -5.834 710 HA VAL 84 HA VAL 84 5.146 4.666 -3.956 711 HB VAL 84 HB VAL 84 3.793 3.023 -2.648 712 1HG1 VAL 84 1HG1 VAL 84 2.862 5.756 -3.401 713 2HG1 VAL 84 2HG1 VAL 84 1.774 4.770 -2.427 714 3HG1 VAL 84 3HG1 VAL 84 3.395 5.140 -1.838 715 1HG2 VAL 84 1HG2 VAL 84 1.876 3.448 -4.954 716 2HG2 VAL 84 2HG2 VAL 84 2.517 1.923 -4.352 717 3HG2 VAL 84 3HG2 VAL 84 1.358 2.835 -3.387 718 H GLU 85 H GLU 85 6.253 2.730 -3.334 719 HA GLU 85 HA GLU 85 6.186 0.487 -5.207 720 1HB GLU 85 2HB GLU 85 8.535 2.345 -4.832 721 2HB GLU 85 3HB GLU 85 8.762 0.665 -5.314 722 1HG GLU 85 2HG GLU 85 7.448 0.982 -7.307 723 2HG GLU 85 3HG GLU 85 6.943 2.586 -6.788 724 H ILE 86 H ILE 86 7.238 -1.368 -4.384 725 HA ILE 86 HA ILE 86 7.598 -1.275 -1.454 726 HB ILE 86 HB ILE 86 6.877 -3.504 -3.372 727 1HG1 ILE 86 2HG1 ILE 86 5.194 -3.445 -1.117 728 2HG1 ILE 86 3HG1 ILE 86 5.437 -1.754 -1.547 729 1HG2 ILE 86 1HG2 ILE 86 8.160 -3.644 -0.712 730 2HG2 ILE 86 2HG2 ILE 86 6.719 -4.644 -0.893 731 3HG2 ILE 86 3HG2 ILE 86 8.081 -4.853 -1.992 732 1HD1 ILE 86 1HD1 ILE 86 4.727 -2.179 -3.831 733 2HD1 ILE 86 2HD1 ILE 86 4.624 -3.911 -3.513 734 3HD1 ILE 86 3HD1 ILE 86 3.498 -2.802 -2.733 735 H VAL 87 H VAL 87 9.800 -0.272 -1.959 736 HA VAL 87 HA VAL 87 11.664 -2.330 -2.982 737 HB VAL 87 HB VAL 87 12.805 0.292 -2.282 738 1HG1 VAL 87 1HG1 VAL 87 13.788 -1.705 -3.609 739 2HG1 VAL 87 2HG1 VAL 87 12.760 -1.159 -4.933 740 3HG1 VAL 87 3HG1 VAL 87 14.009 -0.093 -4.291 741 1HG2 VAL 87 1HG2 VAL 87 10.625 1.082 -3.059 742 2HG2 VAL 87 2HG2 VAL 87 11.813 1.360 -4.329 743 3HG2 VAL 87 3HG2 VAL 87 10.694 0.001 -4.448 Start of MODEL 7 1 1H MET 1 1HT MET 1 11.994 -6.593 -9.403 2 2H MET 1 2HT MET 1 12.845 -8.049 -9.599 3 3H MET 1 3HT MET 1 13.588 -6.724 -8.842 4 HA MET 1 HA MET 1 11.478 -8.506 -7.808 5 1HB MET 1 2HB MET 1 12.979 -8.698 -5.915 6 2HB MET 1 3HB MET 1 13.921 -8.950 -7.385 7 1HG MET 1 2HG MET 1 14.548 -6.504 -7.302 8 2HG MET 1 3HG MET 1 13.771 -6.422 -5.721 9 1HE MET 1 1HE MET 1 16.486 -7.551 -7.933 10 2HE MET 1 2HE MET 1 17.845 -7.876 -6.860 11 3HE MET 1 3HE MET 1 17.165 -6.252 -6.940 12 H ARG 2 H ARG 2 11.389 -5.506 -8.634 13 HA ARG 2 HA ARG 2 10.490 -4.417 -6.032 14 1HB ARG 2 2HB ARG 2 11.499 -3.092 -8.545 15 2HB ARG 2 3HB ARG 2 10.639 -2.197 -7.293 16 1HG ARG 2 2HG ARG 2 12.305 -2.875 -5.625 17 2HG ARG 2 3HG ARG 2 13.152 -3.833 -6.840 18 1HD ARG 2 2HD ARG 2 12.811 -0.825 -6.784 19 2HD ARG 2 3HD ARG 2 14.314 -1.733 -6.664 20 HE ARG 2 HE ARG 2 14.129 -2.256 -9.001 21 1HH1 ARG 2 1HH2 ARG 2 11.298 -0.627 -7.918 22 2HH1 ARG 2 2HH2 ARG 2 11.014 0.190 -9.418 23 1HH2 ARG 2 1HH1 ARG 2 13.927 -0.958 -10.904 24 2HH2 ARG 2 2HH1 ARG 2 12.501 0.003 -11.106 25 H ILE 3 H ILE 3 8.706 -2.747 -6.302 26 HA ILE 3 HA ILE 3 6.785 -3.371 -8.432 27 HB ILE 3 HB ILE 3 5.723 -3.324 -5.629 28 1HG1 ILE 3 2HG1 ILE 3 6.918 -5.761 -7.000 29 2HG1 ILE 3 3HG1 ILE 3 7.514 -5.007 -5.522 30 1HG2 ILE 3 1HG2 ILE 3 4.904 -4.816 -8.142 31 2HG2 ILE 3 2HG2 ILE 3 3.983 -4.717 -6.642 32 3HG2 ILE 3 3HG2 ILE 3 4.228 -3.274 -7.623 33 1HD1 ILE 3 1HD1 ILE 3 4.973 -5.407 -4.765 34 2HD1 ILE 3 2HD1 ILE 3 5.105 -6.712 -5.940 35 3HD1 ILE 3 3HD1 ILE 3 6.210 -6.647 -4.568 36 H LYS 4 H LYS 4 4.841 -1.811 -8.246 37 HA LYS 4 HA LYS 4 5.431 0.654 -6.815 38 1HB LYS 4 2HB LYS 4 5.064 1.901 -9.097 39 2HB LYS 4 3HB LYS 4 6.667 1.313 -8.652 40 1HG LYS 4 2HG LYS 4 6.552 -0.509 -10.128 41 2HG LYS 4 3HG LYS 4 4.792 -0.463 -10.200 42 1HD LYS 4 2HD LYS 4 5.876 0.389 -12.285 43 2HD LYS 4 3HD LYS 4 4.846 1.587 -11.506 44 1HE LYS 4 2HE LYS 4 7.751 1.507 -10.773 45 2HE LYS 4 3HE LYS 4 7.290 2.237 -12.311 46 1HZ LYS 4 1HZ LYS 4 6.626 3.077 -9.576 47 2HZ LYS 4 2HZ LYS 4 5.541 3.437 -10.832 48 3HZ LYS 4 3HZ LYS 4 7.137 4.013 -10.894 49 H GLY 5 H GLY 5 3.638 1.335 -5.973 50 1HA GLY 5 1HA GLY 5 1.045 0.738 -7.260 51 2HA GLY 5 2HA GLY 5 1.280 1.017 -5.535 52 H VAL 6 H VAL 6 -0.626 2.535 -6.260 53 HA VAL 6 HA VAL 6 0.550 5.214 -6.589 54 HB VAL 6 HB VAL 6 -1.915 4.314 -8.105 55 1HG1 VAL 6 1HG1 VAL 6 -2.192 6.602 -7.858 56 2HG1 VAL 6 2HG1 VAL 6 -0.459 6.906 -7.718 57 3HG1 VAL 6 3HG1 VAL 6 -1.174 6.582 -9.298 58 1HG2 VAL 6 1HG2 VAL 6 0.981 4.603 -8.906 59 2HG2 VAL 6 2HG2 VAL 6 -0.114 3.258 -9.217 60 3HG2 VAL 6 3HG2 VAL 6 -0.313 4.776 -10.090 61 H VAL 7 H VAL 7 -0.361 6.742 -5.351 62 HA VAL 7 HA VAL 7 -2.097 5.967 -3.222 63 HB VAL 7 HB VAL 7 -1.035 8.652 -4.126 64 1HG1 VAL 7 1HG1 VAL 7 -2.947 9.287 -2.932 65 2HG1 VAL 7 2HG1 VAL 7 -2.874 7.880 -1.871 66 3HG1 VAL 7 3HG1 VAL 7 -1.734 9.207 -1.655 67 1HG2 VAL 7 1HG2 VAL 7 0.733 7.302 -3.285 68 2HG2 VAL 7 2HG2 VAL 7 0.254 8.314 -1.923 69 3HG2 VAL 7 3HG2 VAL 7 -0.278 6.634 -2.004 70 H LEU 8 H LEU 8 -4.216 6.517 -2.826 71 HA LEU 8 HA LEU 8 -5.773 7.388 -5.180 72 1HB LEU 8 2HB LEU 8 -6.473 5.685 -2.786 73 2HB LEU 8 3HB LEU 8 -7.700 6.348 -3.864 74 HG LEU 8 HG LEU 8 -5.375 4.874 -5.057 75 1HD1 LEU 8 1HD1 LEU 8 -7.580 3.703 -3.415 76 2HD1 LEU 8 2HD1 LEU 8 -7.111 2.857 -4.890 77 3HD1 LEU 8 3HD1 LEU 8 -5.918 3.150 -3.626 78 1HD2 LEU 8 1HD2 LEU 8 -6.782 4.653 -6.888 79 2HD2 LEU 8 2HD2 LEU 8 -8.241 4.635 -5.899 80 3HD2 LEU 8 3HD2 LEU 8 -7.407 6.157 -6.211 81 H SER 9 H SER 9 -5.727 7.658 -1.626 82 HA SER 9 HA SER 9 -6.175 10.491 -1.686 83 1HB SER 9 2HB SER 9 -8.483 9.429 -2.162 84 2HB SER 9 3HB SER 9 -8.436 8.896 -0.486 85 HG SER 9 HG SER 9 -9.009 11.315 -1.485 86 H TYR 10 H TYR 10 -6.081 11.430 0.432 87 HA TYR 10 HA TYR 10 -4.789 9.639 2.376 88 1HB TYR 10 2HB TYR 10 -3.488 11.393 3.009 89 2HB TYR 10 3HB TYR 10 -3.941 12.041 1.436 90 HD1 TYR 10 HD1 TYR 10 -5.598 13.838 1.236 91 HD2 TYR 10 HD2 TYR 10 -4.516 12.227 5.072 92 HE1 TYR 10 HE1 TYR 10 -6.697 15.757 2.357 93 HE2 TYR 10 HE2 TYR 10 -5.618 14.146 6.189 94 HH TYR 10 HH TYR 10 -6.264 16.453 5.666 95 H ARG 11 H ARG 11 -5.788 9.041 4.169 96 HA ARG 11 HA ARG 11 -8.409 10.174 4.790 97 1HB ARG 11 2HB ARG 11 -6.916 7.697 5.555 98 2HB ARG 11 3HB ARG 11 -8.174 8.290 6.640 99 1HG ARG 11 2HG ARG 11 -9.743 8.363 4.671 100 2HG ARG 11 3HG ARG 11 -8.487 7.582 3.708 101 1HD ARG 11 2HD ARG 11 -10.073 5.914 4.580 102 2HD ARG 11 3HD ARG 11 -8.472 5.672 5.272 103 HE ARG 11 HE ARG 11 -10.234 7.342 6.868 104 1HH1 ARG 11 1HH1 ARG 11 -8.005 4.979 7.219 105 2HH1 ARG 11 2HH1 ARG 11 -8.912 3.960 8.286 106 1HH2 ARG 11 1HH2 ARG 11 -11.894 5.657 7.797 107 2HH2 ARG 11 2HH2 ARG 11 -11.114 4.345 8.614 108 H ARG 12 H ARG 12 -8.944 10.973 6.873 109 HA ARG 12 HA ARG 12 -6.621 11.973 8.399 110 1HB ARG 12 2HB ARG 12 -8.096 13.677 7.187 111 2HB ARG 12 3HB ARG 12 -9.350 13.257 8.355 112 1HG ARG 12 2HG ARG 12 -7.454 13.663 10.129 113 2HG ARG 12 3HG ARG 12 -6.692 14.581 8.831 114 1HD ARG 12 2HD ARG 12 -8.011 16.142 10.076 115 2HD ARG 12 3HD ARG 12 -8.882 15.833 8.578 116 HE ARG 12 HE ARG 12 -9.625 14.184 10.878 117 1HH1 ARG 12 1HH2 ARG 12 -10.132 17.182 9.246 118 2HH1 ARG 12 2HH2 ARG 12 -11.837 17.221 9.548 119 1HH2 ARG 12 1HH1 ARG 12 -11.898 14.126 11.110 120 2HH2 ARG 12 2HH1 ARG 12 -12.837 15.492 10.605 121 H SER 13 H SER 13 -6.766 9.864 9.475 122 HA SER 13 HA SER 13 -8.874 8.846 10.914 123 1HB SER 13 2HB SER 13 -6.943 7.522 10.883 124 2HB SER 13 3HB SER 13 -5.909 8.846 11.407 125 HG SER 13 HG SER 13 -6.878 8.722 13.444 126 H LYS 14 H LYS 14 -9.186 8.855 13.315 127 HA LYS 14 HA LYS 14 -8.579 11.436 14.588 128 1HB LYS 14 2HB LYS 14 -11.043 11.369 15.419 129 2HB LYS 14 3HB LYS 14 -10.719 11.970 13.795 130 1HG LYS 14 2HG LYS 14 -11.596 10.085 12.767 131 2HG LYS 14 3HG LYS 14 -11.217 9.035 14.133 132 1HD LYS 14 2HD LYS 14 -13.002 10.179 15.454 133 2HD LYS 14 3HD LYS 14 -13.423 11.113 14.018 134 1HE LYS 14 2HE LYS 14 -13.353 8.094 13.972 135 2HE LYS 14 3HE LYS 14 -14.797 8.978 14.468 136 1HZ LYS 14 1HZ LYS 14 -13.913 8.444 11.878 137 2HZ LYS 14 2HZ LYS 14 -13.800 10.123 12.110 138 3HZ LYS 14 3HZ LYS 14 -15.281 9.326 12.353 139 H GLU 15 H GLU 15 -7.095 10.002 15.740 140 HA GLU 15 HA GLU 15 -8.406 8.804 18.078 141 1HB GLU 15 2HB GLU 15 -6.544 7.382 16.186 142 2HB GLU 15 3HB GLU 15 -6.660 6.903 17.879 143 1HG GLU 15 2HG GLU 15 -8.985 6.383 17.671 144 2HG GLU 15 3HG GLU 15 -9.093 7.175 16.103 145 H ASN 16 H ASN 16 -5.202 9.317 16.581 146 HA ASN 16 HA ASN 16 -3.946 9.759 19.144 147 1HB ASN 16 2HB ASN 16 -2.730 10.342 16.446 148 2HB ASN 16 3HB ASN 16 -1.909 9.919 17.947 149 1HD2 ASN 16 2HD2 ASN 16 -1.544 8.439 15.486 150 2HD2 ASN 16 1HD2 ASN 16 -2.166 6.878 15.729 151 H GLN 17 H GLN 17 -2.106 11.771 18.314 152 HA GLN 17 HA GLN 17 -3.778 14.159 18.714 153 1HB GLN 17 2HB GLN 17 -0.880 13.526 19.282 154 2HB GLN 17 3HB GLN 17 -1.490 15.176 19.300 155 1HG GLN 17 2HG GLN 17 -1.675 14.475 21.549 156 2HG GLN 17 3HG GLN 17 -3.306 14.313 20.909 157 1HE2 GLN 17 2HE2 GLN 17 -1.257 11.846 19.656 158 2HE2 GLN 17 1HE2 GLN 17 -1.716 10.619 20.729 159 H HIS 18 H HIS 18 -2.182 12.532 16.257 160 HA HIS 18 HA HIS 18 -2.405 14.788 14.451 161 1HB HIS 18 2HB HIS 18 -0.157 15.182 15.355 162 2HB HIS 18 3HB HIS 18 0.294 13.512 15.018 163 HD1 HIS 18 HD1 HIS 18 -0.884 16.615 13.130 164 HD2 HIS 18 HD2 HIS 18 1.328 13.143 12.474 165 HE1 HIS 18 HE1 HIS 18 0.048 16.790 10.780 166 H ASN 19 H ASN 19 -3.331 12.033 15.108 167 HA ASN 19 HA ASN 19 -2.546 9.986 13.574 168 1HB ASN 19 2HB ASN 19 -5.097 9.530 13.285 169 2HB ASN 19 3HB ASN 19 -4.411 9.576 14.908 170 1HD2 ASN 19 2HD2 ASN 19 -5.352 12.234 12.648 171 2HD2 ASN 19 1HD2 ASN 19 -6.384 13.001 13.755 172 H ASN 20 H ASN 20 -2.920 9.202 11.460 173 HA ASN 20 HA ASN 20 -4.378 10.621 9.482 174 1HB ASN 20 2HB ASN 20 -2.122 11.972 9.959 175 2HB ASN 20 3HB ASN 20 -1.472 10.778 8.840 176 1HD2 ASN 20 2HD2 ASN 20 -4.190 13.130 9.130 177 2HD2 ASN 20 1HD2 ASN 20 -4.277 13.458 7.467 178 H VAL 21 H VAL 21 -5.019 9.114 8.135 179 HA VAL 21 HA VAL 21 -3.267 6.787 7.591 180 HB VAL 21 HB VAL 21 -6.288 6.997 7.728 181 1HG1 VAL 21 1HG1 VAL 21 -4.489 4.755 6.781 182 2HG1 VAL 21 2HG1 VAL 21 -6.146 4.481 7.313 183 3HG1 VAL 21 3HG1 VAL 21 -5.829 5.506 5.913 184 1HG2 VAL 21 1HG2 VAL 21 -6.135 5.664 9.661 185 2HG2 VAL 21 2HG2 VAL 21 -4.508 5.114 9.268 186 3HG2 VAL 21 3HG2 VAL 21 -4.767 6.764 9.838 187 H MET 22 H MET 22 -3.653 5.798 5.405 188 HA MET 22 HA MET 22 -4.798 7.563 3.392 189 1HB MET 22 2HB MET 22 -2.765 7.716 2.054 190 2HB MET 22 3HB MET 22 -2.498 8.427 3.644 191 1HG MET 22 2HG MET 22 -1.540 6.188 4.366 192 2HG MET 22 3HG MET 22 -1.592 5.706 2.671 193 1HE MET 22 1HE MET 22 -0.117 6.190 0.999 194 2HE MET 22 2HE MET 22 1.043 7.509 0.875 195 3HE MET 22 3HE MET 22 -0.683 7.857 0.814 196 H ILE 23 H ILE 23 -5.528 6.488 1.635 197 HA ILE 23 HA ILE 23 -5.315 3.568 1.695 198 HB ILE 23 HB ILE 23 -7.052 5.404 0.022 199 1HG1 ILE 23 2HG1 ILE 23 -7.961 3.527 2.205 200 2HG1 ILE 23 3HG1 ILE 23 -7.395 5.149 2.601 201 1HG2 ILE 23 1HG2 ILE 23 -6.797 2.399 0.212 202 2HG2 ILE 23 2HG2 ILE 23 -8.291 3.163 -0.328 203 3HG2 ILE 23 3HG2 ILE 23 -6.799 3.406 -1.234 204 1HD1 ILE 23 1HD1 ILE 23 -9.064 6.134 1.109 205 2HD1 ILE 23 2HD1 ILE 23 -9.602 4.527 0.619 206 3HD1 ILE 23 3HD1 ILE 23 -9.858 5.076 2.276 207 H ILE 24 H ILE 24 -4.375 2.360 0.124 208 HA ILE 24 HA ILE 24 -3.187 3.754 -2.191 209 HB ILE 24 HB ILE 24 -1.759 1.742 -0.431 210 1HG1 ILE 24 2HG1 ILE 24 -1.138 4.678 -0.876 211 2HG1 ILE 24 3HG1 ILE 24 -2.039 4.078 0.516 212 1HG2 ILE 24 1HG2 ILE 24 0.204 2.500 -1.902 213 2HG2 ILE 24 2HG2 ILE 24 -0.985 1.448 -2.668 214 3HG2 ILE 24 3HG2 ILE 24 -1.008 3.184 -2.985 215 1HD1 ILE 24 1HD1 ILE 24 0.120 2.413 0.562 216 2HD1 ILE 24 2HD1 ILE 24 0.852 3.882 -0.084 217 3HD1 ILE 24 3HD1 ILE 24 0.023 3.921 1.471 218 H LYS 25 H LYS 25 -2.698 2.367 -3.981 219 HA LYS 25 HA LYS 25 -3.838 -0.334 -3.925 220 1HB LYS 25 2HB LYS 25 -5.713 1.024 -4.636 221 2HB LYS 25 3HB LYS 25 -4.716 1.851 -5.830 222 1HG LYS 25 2HG LYS 25 -4.422 -0.201 -7.091 223 2HG LYS 25 3HG LYS 25 -5.242 -1.136 -5.840 224 1HD LYS 25 2HD LYS 25 -7.346 -0.159 -6.331 225 2HD LYS 25 3HD LYS 25 -6.610 1.164 -7.238 226 1HE LYS 25 2HE LYS 25 -6.027 -0.274 -9.056 227 2HE LYS 25 3HE LYS 25 -6.373 -1.724 -8.111 228 1HZ LYS 25 1HZ LYS 25 -8.136 -1.067 -9.732 229 2HZ LYS 25 2HZ LYS 25 -8.426 0.311 -8.782 230 3HZ LYS 25 3HZ LYS 25 -8.672 -1.240 -8.132 231 HA PRO 26 HA PRO 26 0.021 -0.758 -6.140 232 1HB PRO 26 2HB PRO 26 -0.651 -3.466 -6.824 233 2HB PRO 26 3HB PRO 26 0.499 -2.894 -5.612 234 1HG PRO 26 2HG PRO 26 -2.034 -4.089 -5.182 235 2HG PRO 26 3HG PRO 26 -0.900 -3.473 -3.980 236 1HD PRO 26 2HD PRO 26 -3.422 -2.341 -4.790 237 2HD PRO 26 3HD PRO 26 -2.310 -1.766 -3.534 238 H LEU 27 H LEU 27 0.675 -1.533 -8.390 239 HA LEU 27 HA LEU 27 -0.761 -0.249 -10.360 240 1HB LEU 27 2HB LEU 27 1.597 -1.748 -10.260 241 2HB LEU 27 3HB LEU 27 0.602 -2.549 -11.476 242 HG LEU 27 HG LEU 27 0.159 -0.205 -12.434 243 1HD1 LEU 27 1HD1 LEU 27 1.141 0.832 -10.253 244 2HD1 LEU 27 2HD1 LEU 27 2.707 0.539 -11.009 245 3HD1 LEU 27 3HD1 LEU 27 1.532 1.592 -11.795 246 1HD2 LEU 27 1HD2 LEU 27 2.128 -0.291 -13.792 247 2HD2 LEU 27 2HD2 LEU 27 3.055 -1.087 -12.520 248 3HD2 LEU 27 3HD2 LEU 27 1.768 -1.959 -13.352 249 H ASP 28 H ASP 28 -0.518 -3.803 -10.492 250 HA ASP 28 HA ASP 28 -3.229 -3.836 -11.609 251 1HB ASP 28 2HB ASP 28 -2.688 -6.299 -12.021 252 2HB ASP 28 3HB ASP 28 -1.787 -5.107 -12.964 253 H VAL 29 H VAL 29 -1.814 -6.519 -9.801 254 HA VAL 29 HA VAL 29 -2.850 -7.852 -8.212 255 HB VAL 29 HB VAL 29 -2.999 -5.097 -6.946 256 1HG1 VAL 29 1HG1 VAL 29 -3.850 -7.768 -6.006 257 2HG1 VAL 29 2HG1 VAL 29 -2.790 -6.906 -4.892 258 3HG1 VAL 29 3HG1 VAL 29 -4.306 -6.170 -5.415 259 1HG2 VAL 29 1HG2 VAL 29 -0.968 -6.038 -5.723 260 2HG2 VAL 29 2HG2 VAL 29 -0.976 -7.350 -6.901 261 3HG2 VAL 29 3HG2 VAL 29 -0.726 -5.688 -7.434 262 H ASN 30 H ASN 30 -4.483 -7.667 -10.161 263 HA ASN 30 HA ASN 30 -7.022 -6.479 -9.431 264 1HB ASN 30 2HB ASN 30 -7.671 -7.539 -11.683 265 2HB ASN 30 3HB ASN 30 -6.491 -6.239 -11.708 266 1HD2 ASN 30 2HD2 ASN 30 -5.069 -6.818 -13.376 267 2HD2 ASN 30 1HD2 ASN 30 -4.304 -8.327 -13.497 268 H SER 31 H SER 31 -6.189 -8.470 -7.626 269 HA SER 31 HA SER 31 -8.475 -10.233 -7.732 270 1HB SER 31 2HB SER 31 -5.682 -11.382 -7.860 271 2HB SER 31 3HB SER 31 -7.143 -12.311 -7.543 272 HG SER 31 HG SER 31 -6.408 -10.889 -9.879 273 H ARG 32 H ARG 32 -9.229 -10.496 -5.750 274 HA ARG 32 HA ARG 32 -7.969 -9.383 -3.481 275 1HB ARG 32 2HB ARG 32 -10.402 -9.714 -3.600 276 2HB ARG 32 3HB ARG 32 -10.172 -11.460 -3.638 277 1HG ARG 32 2HG ARG 32 -9.131 -11.396 -1.414 278 2HG ARG 32 3HG ARG 32 -9.297 -9.639 -1.371 279 1HD ARG 32 2HD ARG 32 -11.104 -10.817 -0.115 280 2HD ARG 32 3HD ARG 32 -11.722 -9.822 -1.430 281 HE ARG 32 HE ARG 32 -11.350 -12.369 -2.488 282 1HH1 ARG 32 1HH2 ARG 32 -12.656 -11.759 0.568 283 2HH1 ARG 32 2HH2 ARG 32 -14.194 -12.488 0.250 284 1HH2 ARG 32 1HH1 ARG 32 -13.574 -12.942 -3.130 285 2HH2 ARG 32 2HH1 ARG 32 -14.714 -13.157 -1.844 286 H GLU 33 H GLU 33 -7.768 -12.465 -5.042 287 HA GLU 33 HA GLU 33 -6.765 -14.045 -2.924 288 1HB GLU 33 2HB GLU 33 -6.425 -14.175 -5.926 289 2HB GLU 33 3HB GLU 33 -5.739 -15.378 -4.837 290 1HG GLU 33 2HG GLU 33 -8.048 -15.717 -3.883 291 2HG GLU 33 3HG GLU 33 -8.667 -14.674 -5.161 292 H GLU 34 H GLU 34 -5.101 -12.223 -5.497 293 HA GLU 34 HA GLU 34 -2.480 -12.658 -4.438 294 1HB GLU 34 2HB GLU 34 -3.224 -11.931 -6.851 295 2HB GLU 34 3HB GLU 34 -3.182 -10.305 -6.175 296 1HG GLU 34 2HG GLU 34 -1.010 -10.623 -7.049 297 2HG GLU 34 3HG GLU 34 -0.827 -10.910 -5.323 298 H ALA 35 H ALA 35 -4.915 -10.125 -4.163 299 HA ALA 35 HA ALA 35 -3.388 -8.191 -2.809 300 1HB ALA 35 1HB ALA 35 -6.293 -8.643 -2.186 301 2HB ALA 35 2HB ALA 35 -5.416 -7.125 -2.356 302 3HB ALA 35 3HB ALA 35 -5.810 -8.079 -3.784 303 H SER 36 H SER 36 -5.700 -10.527 -1.410 304 HA SER 36 HA SER 36 -5.049 -10.126 1.275 305 1HB SER 36 2HB SER 36 -7.016 -11.356 0.811 306 2HB SER 36 3HB SER 36 -6.158 -12.499 -0.217 307 HG SER 36 HG SER 36 -6.595 -13.345 1.872 308 H LYS 37 H LYS 37 -3.319 -11.793 -1.218 309 HA LYS 37 HA LYS 37 -1.775 -13.510 0.452 310 1HB LYS 37 2HB LYS 37 -2.124 -13.804 -2.026 311 2HB LYS 37 3HB LYS 37 -0.999 -12.470 -2.275 312 1HG LYS 37 2HG LYS 37 0.825 -13.672 -1.461 313 2HG LYS 37 3HG LYS 37 -0.188 -14.752 -0.505 314 1HD LYS 37 2HD LYS 37 -0.846 -16.008 -2.396 315 2HD LYS 37 3HD LYS 37 -0.323 -14.751 -3.518 316 1HE LYS 37 2HE LYS 37 1.225 -16.760 -3.360 317 2HE LYS 37 3HE LYS 37 1.996 -15.200 -3.077 318 1HZ LYS 37 1HZ LYS 37 0.978 -16.178 -0.646 319 2HZ LYS 37 2HZ LYS 37 2.592 -15.876 -1.072 320 3HZ LYS 37 3HZ LYS 37 1.903 -17.400 -1.369 321 H LEU 38 H LEU 38 -0.758 -10.574 -1.340 322 HA LEU 38 HA LEU 38 1.646 -10.377 0.230 323 1HB LEU 38 2HB LEU 38 2.352 -8.868 -1.323 324 2HB LEU 38 3HB LEU 38 1.060 -9.593 -2.270 325 HG LEU 38 HG LEU 38 0.901 -7.019 -0.665 326 1HD1 LEU 38 1HD1 LEU 38 0.608 -7.544 -3.633 327 2HD1 LEU 38 2HD1 LEU 38 0.587 -5.972 -2.838 328 3HD1 LEU 38 3HD1 LEU 38 2.071 -6.922 -2.871 329 1HD2 LEU 38 1HD2 LEU 38 -1.186 -8.816 -1.765 330 2HD2 LEU 38 2HD2 LEU 38 -1.295 -7.624 -0.469 331 3HD2 LEU 38 3HD2 LEU 38 -1.379 -7.107 -2.152 332 H ILE 39 H ILE 39 -1.379 -9.829 1.161 333 HA ILE 39 HA ILE 39 -1.572 -7.259 2.184 334 HB ILE 39 HB ILE 39 -3.321 -9.101 2.278 335 1HG1 ILE 39 2HG1 ILE 39 -2.721 -7.504 4.789 336 2HG1 ILE 39 3HG1 ILE 39 -3.649 -6.947 3.398 337 1HG2 ILE 39 1HG2 ILE 39 -1.638 -10.699 3.419 338 2HG2 ILE 39 2HG2 ILE 39 -2.015 -9.826 4.904 339 3HG2 ILE 39 3HG2 ILE 39 -3.288 -10.685 4.037 340 1HD1 ILE 39 1HD1 ILE 39 -5.079 -9.124 3.900 341 2HD1 ILE 39 2HD1 ILE 39 -4.408 -8.922 5.516 342 3HD1 ILE 39 3HD1 ILE 39 -5.369 -7.633 4.793 343 H GLY 40 H GLY 40 -0.638 -6.156 3.817 344 1HA GLY 40 1HA GLY 40 0.574 -5.755 5.762 345 2HA GLY 40 2HA GLY 40 0.759 -7.493 5.976 346 H ARG 41 H ARG 41 1.553 -6.024 2.927 347 HA ARG 41 HA ARG 41 4.246 -6.993 3.024 348 1HB ARG 41 2HB ARG 41 4.420 -5.570 0.871 349 2HB ARG 41 3HB ARG 41 3.308 -6.941 0.869 350 1HG ARG 41 2HG ARG 41 1.414 -5.578 1.025 351 2HG ARG 41 3HG ARG 41 2.320 -4.229 1.712 352 1HD ARG 41 2HD ARG 41 3.004 -3.471 -0.329 353 2HD ARG 41 3HD ARG 41 3.136 -5.089 -1.007 354 HE ARG 41 HE ARG 41 0.483 -4.853 -0.805 355 1HH1 ARG 41 1HH2 ARG 41 1.816 -4.409 -3.461 356 2HH1 ARG 41 2HH2 ARG 41 1.248 -2.834 -3.899 357 1HH2 ARG 41 1HH1 ARG 41 0.202 -2.028 -0.696 358 2HH2 ARG 41 2HH1 ARG 41 0.333 -1.485 -2.335 359 H LEU 42 H LEU 42 6.091 -5.440 2.410 360 HA LEU 42 HA LEU 42 6.019 -3.189 4.311 361 1HB LEU 42 2HB LEU 42 7.812 -4.769 4.712 362 2HB LEU 42 3HB LEU 42 8.334 -4.667 3.031 363 HG LEU 42 HG LEU 42 8.994 -2.354 3.306 364 1HD1 LEU 42 1HD1 LEU 42 7.372 -1.389 4.716 365 2HD1 LEU 42 2HD1 LEU 42 7.572 -2.630 5.951 366 3HD1 LEU 42 3HD1 LEU 42 8.818 -1.404 5.722 367 1HD2 LEU 42 1HD2 LEU 42 10.599 -4.077 4.085 368 2HD2 LEU 42 2HD2 LEU 42 10.747 -2.589 5.023 369 3HD2 LEU 42 3HD2 LEU 42 9.903 -3.981 5.704 370 H VAL 43 H VAL 43 5.506 -1.301 3.414 371 HA VAL 43 HA VAL 43 6.078 -0.772 0.597 372 HB VAL 43 HB VAL 43 4.661 1.134 0.835 373 1HG1 VAL 43 1HG1 VAL 43 3.396 -0.842 2.727 374 2HG1 VAL 43 2HG1 VAL 43 2.639 0.096 1.439 375 3HG1 VAL 43 3HG1 VAL 43 3.682 -1.269 1.040 376 1HG2 VAL 43 1HG2 VAL 43 3.739 1.596 3.243 377 2HG2 VAL 43 2HG2 VAL 43 5.197 0.761 3.780 378 3HG2 VAL 43 3HG2 VAL 43 5.327 2.228 2.809 379 H LEU 44 H LEU 44 7.882 0.151 -0.039 380 HA LEU 44 HA LEU 44 9.307 1.942 1.832 381 1HB LEU 44 2HB LEU 44 10.392 -0.339 1.375 382 2HB LEU 44 3HB LEU 44 10.688 0.264 -0.256 383 HG LEU 44 HG LEU 44 11.517 1.821 2.202 384 1HD1 LEU 44 1HD1 LEU 44 13.161 -0.173 0.612 385 2HD1 LEU 44 2HD1 LEU 44 13.775 0.871 1.894 386 3HD1 LEU 44 3HD1 LEU 44 12.605 -0.395 2.271 387 1HD2 LEU 44 1HD2 LEU 44 11.951 1.981 -0.759 388 2HD2 LEU 44 2HD2 LEU 44 11.682 3.279 0.406 389 3HD2 LEU 44 3HD2 LEU 44 13.264 2.505 0.296 390 H TRP 45 H TRP 45 8.618 3.823 1.081 391 HA TRP 45 HA TRP 45 8.780 4.497 -1.782 392 1HB TRP 45 2HB TRP 45 6.657 4.973 -0.715 393 2HB TRP 45 3HB TRP 45 7.456 5.804 0.613 394 HD1 TRP 45 HD1 TRP 45 6.739 6.215 -3.156 395 HE1 TRP 45 HE1 TRP 45 6.730 8.740 -3.705 396 HE3 TRP 45 HE3 TRP 45 8.252 8.106 1.350 397 HZ2 TRP 45 HZ2 TRP 45 7.325 11.217 -2.410 398 HZ3 TRP 45 HZ3 TRP 45 8.518 10.547 1.658 399 HH2 TRP 45 HH2 TRP 45 8.057 12.105 -0.212 400 H LYS 46 H LYS 46 10.761 5.237 -2.337 401 HA LYS 46 HA LYS 46 12.469 6.574 -0.425 402 1HB LYS 46 2HB LYS 46 14.099 6.584 -2.280 403 2HB LYS 46 3HB LYS 46 13.443 4.978 -1.985 404 1HG LYS 46 2HG LYS 46 11.667 5.773 -3.818 405 2HG LYS 46 3HG LYS 46 13.002 6.813 -4.303 406 1HD LYS 46 2HD LYS 46 14.409 4.589 -4.103 407 2HD LYS 46 3HD LYS 46 12.838 3.817 -4.310 408 1HE LYS 46 2HE LYS 46 13.652 4.045 -6.517 409 2HE LYS 46 3HE LYS 46 12.546 5.407 -6.332 410 1HZ LYS 46 1HZ LYS 46 14.679 6.604 -5.505 411 2HZ LYS 46 2HZ LYS 46 14.398 6.430 -7.171 412 3HZ LYS 46 3HZ LYS 46 15.483 5.391 -6.374 413 H SER 47 H SER 47 11.926 8.621 0.063 414 HA SER 47 HA SER 47 10.651 10.444 -1.684 415 1HB SER 47 2HB SER 47 12.373 11.414 0.561 416 2HB SER 47 3HB SER 47 10.786 11.973 0.051 417 HG SER 47 HG SER 47 10.538 9.443 0.729 418 HA PRO 48 HA PRO 48 13.983 12.243 -3.934 419 1HB PRO 48 2HB PRO 48 13.348 15.012 -3.433 420 2HB PRO 48 3HB PRO 48 12.929 14.031 -4.844 421 1HG PRO 48 2HG PRO 48 11.146 15.005 -2.973 422 2HG PRO 48 3HG PRO 48 10.831 13.685 -4.109 423 1HD PRO 48 2HD PRO 48 11.472 13.556 -1.198 424 2HD PRO 48 3HD PRO 48 10.498 12.452 -2.196 425 H SER 49 H SER 49 13.562 13.671 -0.727 426 HA SER 49 HA SER 49 16.191 14.861 -0.645 427 1HB SER 49 2HB SER 49 15.607 15.252 1.764 428 2HB SER 49 3HB SER 49 14.436 15.906 0.624 429 HG SER 49 HG SER 49 13.146 14.793 1.909 430 H GLY 50 H GLY 50 15.808 11.852 -1.047 431 1HA GLY 50 1HA GLY 50 17.073 9.993 -0.536 432 2HA GLY 50 2HA GLY 50 18.073 11.022 0.482 433 H LYS 51 H LYS 51 15.135 11.669 1.620 434 HA LYS 51 HA LYS 51 15.434 10.036 3.960 435 1HB LYS 51 2HB LYS 51 14.444 12.413 3.780 436 2HB LYS 51 3HB LYS 51 12.974 11.621 3.220 437 1HG LYS 51 2HG LYS 51 12.922 10.261 5.286 438 2HG LYS 51 3HG LYS 51 14.383 11.075 5.850 439 1HD LYS 51 2HD LYS 51 13.128 13.268 5.626 440 2HD LYS 51 3HD LYS 51 11.669 12.320 5.341 441 1HE LYS 51 2HE LYS 51 11.527 12.601 7.637 442 2HE LYS 51 3HE LYS 51 12.434 11.089 7.567 443 1HZ LYS 51 1HZ LYS 51 13.227 13.542 8.667 444 2HZ LYS 51 2HZ LYS 51 14.250 13.204 7.353 445 3HZ LYS 51 3HZ LYS 51 14.091 12.083 8.621 446 H ILE 52 H ILE 52 15.153 7.875 3.576 447 HA ILE 52 HA ILE 52 12.997 6.921 1.888 448 HB ILE 52 HB ILE 52 14.825 5.278 3.644 449 1HG1 ILE 52 2HG1 ILE 52 16.249 6.675 2.259 450 2HG1 ILE 52 3HG1 ILE 52 16.217 5.064 1.549 451 1HG2 ILE 52 1HG2 ILE 52 13.353 4.657 1.066 452 2HG2 ILE 52 2HG2 ILE 52 14.333 3.528 2.003 453 3HG2 ILE 52 3HG2 ILE 52 12.828 4.158 2.674 454 1HD1 ILE 52 1HD1 ILE 52 14.595 7.461 0.637 455 2HD1 ILE 52 2HD1 ILE 52 15.939 6.714 -0.223 456 3HD1 ILE 52 3HD1 ILE 52 14.428 5.832 -0.018 457 H LEU 53 H LEU 53 10.988 6.916 2.628 458 HA LEU 53 HA LEU 53 10.490 6.341 5.477 459 1HB LEU 53 2HB LEU 53 8.568 7.354 3.365 460 2HB LEU 53 3HB LEU 53 8.259 7.233 5.098 461 HG LEU 53 HG LEU 53 10.398 8.967 3.820 462 1HD1 LEU 53 1HD1 LEU 53 7.909 9.867 5.280 463 2HD1 LEU 53 2HD1 LEU 53 8.988 10.833 4.274 464 3HD1 LEU 53 3HD1 LEU 53 7.929 9.633 3.532 465 1HD2 LEU 53 1HD2 LEU 53 11.185 8.400 5.980 466 2HD2 LEU 53 2HD2 LEU 53 10.355 9.935 6.226 467 3HD2 LEU 53 3HD2 LEU 53 9.561 8.426 6.672 468 H LYS 54 H LYS 54 9.220 4.602 6.114 469 HA LYS 54 HA LYS 54 8.038 2.881 4.098 470 1HB LYS 54 2HB LYS 54 9.286 0.977 5.484 471 2HB LYS 54 3HB LYS 54 10.004 1.723 4.062 472 1HG LYS 54 2HG LYS 54 11.337 3.201 5.406 473 2HG LYS 54 3HG LYS 54 10.462 2.749 6.872 474 1HD LYS 54 2HD LYS 54 11.305 0.409 6.599 475 2HD LYS 54 3HD LYS 54 12.262 0.950 5.220 476 1HE LYS 54 2HE LYS 54 13.782 1.056 7.027 477 2HE LYS 54 3HE LYS 54 13.231 2.721 6.848 478 1HZ LYS 54 1HZ LYS 54 11.565 1.121 8.564 479 2HZ LYS 54 2HZ LYS 54 12.211 2.672 8.813 480 3HZ LYS 54 3HZ LYS 54 13.152 1.295 9.139 481 H GLY 55 H GLY 55 6.061 2.512 4.822 482 1HA GLY 55 1HA GLY 55 5.563 2.355 7.728 483 2HA GLY 55 2HA GLY 55 4.353 2.722 6.502 484 H LYS 56 H LYS 56 2.972 1.049 7.219 485 HA LYS 56 HA LYS 56 3.629 -1.559 6.107 486 1HB LYS 56 2HB LYS 56 4.436 -1.425 8.576 487 2HB LYS 56 3HB LYS 56 2.719 -1.501 8.973 488 1HG LYS 56 2HG LYS 56 3.215 -3.759 8.943 489 2HG LYS 56 3HG LYS 56 2.764 -3.529 7.254 490 1HD LYS 56 2HD LYS 56 5.070 -3.367 6.577 491 2HD LYS 56 3HD LYS 56 5.616 -3.289 8.251 492 1HE LYS 56 2HE LYS 56 5.495 -5.588 6.736 493 2HE LYS 56 3HE LYS 56 5.549 -5.539 8.496 494 1HZ LYS 56 1HZ LYS 56 3.691 -6.870 7.500 495 2HZ LYS 56 2HZ LYS 56 3.020 -5.407 6.954 496 3HZ LYS 56 3HZ LYS 56 3.211 -5.688 8.619 497 H ILE 57 H ILE 57 1.869 -2.436 5.197 498 HA ILE 57 HA ILE 57 -0.639 -1.101 5.223 499 HB ILE 57 HB ILE 57 0.309 -3.764 4.169 500 1HG1 ILE 57 2HG1 ILE 57 -0.856 -1.319 2.800 501 2HG1 ILE 57 3HG1 ILE 57 0.871 -1.580 3.035 502 1HG2 ILE 57 1HG2 ILE 57 -1.928 -4.313 4.713 503 2HG2 ILE 57 2HG2 ILE 57 -2.511 -2.693 4.333 504 3HG2 ILE 57 3HG2 ILE 57 -2.023 -3.782 3.036 505 1HD1 ILE 57 1HD1 ILE 57 0.837 -2.693 1.074 506 2HD1 ILE 57 2HD1 ILE 57 -0.013 -3.979 1.928 507 3HD1 ILE 57 3HD1 ILE 57 -0.924 -2.749 1.054 508 H VAL 58 H VAL 58 -2.616 -1.719 6.199 509 HA VAL 58 HA VAL 58 -2.240 -3.401 8.599 510 HB VAL 58 HB VAL 58 -4.498 -2.168 9.209 511 1HG1 VAL 58 1HG1 VAL 58 -2.876 -0.150 9.896 512 2HG1 VAL 58 2HG1 VAL 58 -2.784 -1.725 10.684 513 3HG1 VAL 58 3HG1 VAL 58 -1.643 -1.312 9.404 514 1HG2 VAL 58 1HG2 VAL 58 -4.518 -1.099 6.870 515 2HG2 VAL 58 2HG2 VAL 58 -4.754 -0.008 8.234 516 3HG2 VAL 58 3HG2 VAL 58 -3.183 -0.096 7.437 517 H ARG 59 H ARG 59 -4.479 -2.821 5.878 518 HA ARG 59 HA ARG 59 -5.249 -5.586 5.901 519 1HB ARG 59 2HB ARG 59 -7.774 -4.851 6.152 520 2HB ARG 59 3HB ARG 59 -6.797 -5.243 7.564 521 1HG ARG 59 2HG ARG 59 -6.350 -2.897 7.983 522 2HG ARG 59 3HG ARG 59 -7.135 -2.435 6.473 523 1HD ARG 59 2HD ARG 59 -8.572 -2.123 8.521 524 2HD ARG 59 3HD ARG 59 -9.288 -3.159 7.286 525 HE ARG 59 HE ARG 59 -8.394 -5.072 8.713 526 1HH1 ARG 59 1HH1 ARG 59 -10.925 -4.120 9.855 527 2HH1 ARG 59 2HH1 ARG 59 -10.521 -3.751 11.498 528 1HH2 ARG 59 1HH2 ARG 59 -7.106 -3.650 10.913 529 2HH2 ARG 59 2HH2 ARG 59 -8.358 -3.484 12.097 530 H VAL 60 H VAL 60 -6.596 -6.193 4.172 531 HA VAL 60 HA VAL 60 -6.431 -4.372 1.882 532 HB VAL 60 HB VAL 60 -5.590 -6.718 1.689 533 1HG1 VAL 60 1HG1 VAL 60 -8.432 -7.679 1.650 534 2HG1 VAL 60 2HG1 VAL 60 -6.951 -8.582 1.967 535 3HG1 VAL 60 3HG1 VAL 60 -7.612 -7.512 3.202 536 1HG2 VAL 60 1HG2 VAL 60 -6.101 -5.904 -0.417 537 2HG2 VAL 60 2HG2 VAL 60 -7.220 -7.263 -0.342 538 3HG2 VAL 60 3HG2 VAL 60 -7.796 -5.628 -0.019 539 H HIS 61 H HIS 61 -8.145 -3.106 1.475 540 HA HIS 61 HA HIS 61 -10.858 -4.231 1.832 541 1HB HIS 61 2HB HIS 61 -9.661 -1.906 3.237 542 2HB HIS 61 3HB HIS 61 -11.290 -1.675 2.614 543 HD1 HIS 61 HD1 HIS 61 -9.912 -4.929 3.994 544 HD2 HIS 61 HD2 HIS 61 -12.698 -2.003 5.016 545 HE1 HIS 61 HE1 HIS 61 -11.151 -5.802 6.021 546 H GLY 62 H GLY 62 -12.017 -3.959 0.033 547 1HA GLY 62 1HA GLY 62 -12.907 -2.007 -1.383 548 2HA GLY 62 2HA GLY 62 -11.226 -1.839 -1.870 549 H THR 63 H THR 63 -11.159 -4.945 -1.612 550 HA THR 63 HA THR 63 -11.154 -6.694 -3.089 551 HB THR 63 HB THR 63 -13.262 -7.189 -4.242 552 HG1 THR 63 HG1 THR 63 -14.369 -5.542 -4.859 553 1HG2 THR 63 1HG2 THR 63 -14.670 -7.319 -2.261 554 2HG2 THR 63 2HG2 THR 63 -12.996 -7.627 -1.801 555 3HG2 THR 63 3HG2 THR 63 -13.727 -6.056 -1.470 556 H LYS 64 H LYS 64 -11.176 -7.332 -5.434 557 HA LYS 64 HA LYS 64 -10.489 -7.007 -7.609 558 1HB LYS 64 2HB LYS 64 -12.432 -5.272 -7.480 559 2HB LYS 64 3HB LYS 64 -11.140 -4.076 -7.387 560 1HG LYS 64 2HG LYS 64 -10.194 -4.879 -9.493 561 2HG LYS 64 3HG LYS 64 -11.404 -6.163 -9.572 562 1HD LYS 64 2HD LYS 64 -13.200 -4.537 -9.771 563 2HD LYS 64 3HD LYS 64 -12.074 -3.204 -9.518 564 1HE LYS 64 2HE LYS 64 -12.734 -3.704 -11.950 565 2HE LYS 64 3HE LYS 64 -11.010 -3.561 -11.614 566 1HZ LYS 64 1HZ LYS 64 -10.752 -5.877 -11.639 567 2HZ LYS 64 2HZ LYS 64 -11.727 -5.531 -12.984 568 3HZ LYS 64 3HZ LYS 64 -12.421 -6.161 -11.567 569 H GLY 65 H GLY 65 -9.356 -5.183 -4.992 570 1HA GLY 65 1HA GLY 65 -6.844 -5.301 -4.824 571 2HA GLY 65 2HA GLY 65 -6.863 -4.411 -6.350 572 H ALA 66 H ALA 66 -6.502 -4.048 -3.161 573 HA ALA 66 HA ALA 66 -6.451 -1.271 -3.089 574 1HB ALA 66 1HB ALA 66 -8.804 -1.084 -3.292 575 2HB ALA 66 2HB ALA 66 -9.089 -2.468 -2.236 576 3HB ALA 66 3HB ALA 66 -8.508 -0.945 -1.560 577 H VAL 67 H VAL 67 -5.723 -0.530 -1.013 578 HA VAL 67 HA VAL 67 -5.750 -2.384 1.220 579 HB VAL 67 HB VAL 67 -3.207 -2.287 1.406 580 1HG1 VAL 67 1HG1 VAL 67 -2.938 -4.276 0.158 581 2HG1 VAL 67 2HG1 VAL 67 -4.653 -4.258 0.572 582 3HG1 VAL 67 3HG1 VAL 67 -4.129 -3.787 -1.045 583 1HG2 VAL 67 1HG2 VAL 67 -3.543 -1.482 -1.500 584 2HG2 VAL 67 2HG2 VAL 67 -2.816 -0.507 -0.224 585 3HG2 VAL 67 3HG2 VAL 67 -2.022 -1.984 -0.763 586 H ARG 68 H ARG 68 -5.530 -1.394 3.136 587 HA ARG 68 HA ARG 68 -5.294 1.527 3.150 588 1HB ARG 68 2HB ARG 68 -7.153 0.514 4.399 589 2HB ARG 68 3HB ARG 68 -6.010 -0.439 5.346 590 1HG ARG 68 2HG ARG 68 -4.991 1.653 6.206 591 2HG ARG 68 3HG ARG 68 -6.163 2.594 5.283 592 1HD ARG 68 2HD ARG 68 -6.841 0.588 7.458 593 2HD ARG 68 3HD ARG 68 -6.872 2.340 7.640 594 HE ARG 68 HE ARG 68 -8.530 1.870 5.511 595 1HH1 ARG 68 1HH2 ARG 68 -8.937 2.302 8.721 596 2HH1 ARG 68 2HH2 ARG 68 -10.345 1.315 8.914 597 1HH2 ARG 68 1HH1 ARG 68 -10.093 -0.118 5.765 598 2HH2 ARG 68 2HH1 ARG 68 -11.002 -0.059 7.238 599 H ALA 69 H ALA 69 -3.687 2.614 4.351 600 HA ALA 69 HA ALA 69 -1.600 0.985 5.615 601 1HB ALA 69 1HB ALA 69 -0.799 1.128 3.343 602 2HB ALA 69 2HB ALA 69 -1.101 2.865 3.299 603 3HB ALA 69 3HB ALA 69 0.169 2.217 4.336 604 H ARG 70 H ARG 70 -0.066 2.239 6.834 605 HA ARG 70 HA ARG 70 -0.762 5.014 7.429 606 1HB ARG 70 2HB ARG 70 -2.075 3.307 8.934 607 2HB ARG 70 3HB ARG 70 -0.518 3.111 9.742 608 1HG ARG 70 2HG ARG 70 -0.477 5.703 9.839 609 2HG ARG 70 3HG ARG 70 -2.201 5.602 9.485 610 1HD ARG 70 2HD ARG 70 -1.899 5.682 11.897 611 2HD ARG 70 3HD ARG 70 -2.473 4.079 11.446 612 HE ARG 70 HE ARG 70 0.000 3.439 11.558 613 1HH1 ARG 70 1HH1 ARG 70 0.040 6.532 12.615 614 2HH1 ARG 70 2HH1 ARG 70 0.543 6.212 14.243 615 1HH2 ARG 70 1HH2 ARG 70 0.030 2.792 14.012 616 2HH2 ARG 70 2HH2 ARG 70 0.537 4.096 15.031 617 H PHE 71 H PHE 71 1.030 6.169 7.831 618 HA PHE 71 HA PHE 71 3.588 4.745 7.949 619 1HB PHE 71 2HB PHE 71 2.808 7.604 7.402 620 2HB PHE 71 3HB PHE 71 4.485 7.132 7.673 621 HD1 PHE 71 HD1 PHE 71 1.493 5.989 5.695 622 HD2 PHE 71 HD2 PHE 71 5.756 6.533 5.811 623 HE1 PHE 71 HE1 PHE 71 1.659 5.199 3.348 624 HE2 PHE 71 HE2 PHE 71 5.915 5.745 3.463 625 HZ PHE 71 HZ PHE 71 3.869 5.079 2.234 626 H GLU 72 H GLU 72 5.027 4.879 9.580 627 HA GLU 72 HA GLU 72 4.091 5.295 12.209 628 1HB GLU 72 2HB GLU 72 6.643 5.261 12.716 629 2HB GLU 72 3HB GLU 72 5.893 3.811 12.046 630 1HG GLU 72 2HG GLU 72 6.787 4.182 9.906 631 2HG GLU 72 3HG GLU 72 7.065 5.895 10.212 632 H LYS 73 H LYS 73 4.652 7.560 9.909 633 HA LYS 73 HA LYS 73 4.822 9.693 11.880 634 1HB LYS 73 2HB LYS 73 7.213 9.025 11.289 635 2HB LYS 73 3HB LYS 73 6.875 9.630 9.667 636 1HG LYS 73 2HG LYS 73 6.124 11.804 10.783 637 2HG LYS 73 3HG LYS 73 6.841 11.179 12.267 638 1HD LYS 73 2HD LYS 73 8.420 11.273 9.695 639 2HD LYS 73 3HD LYS 73 8.320 12.682 10.750 640 1HE LYS 73 2HE LYS 73 9.212 11.365 12.627 641 2HE LYS 73 3HE LYS 73 9.284 9.931 11.601 642 1HZ LYS 73 1HZ LYS 73 10.824 12.447 11.305 643 2HZ LYS 73 2HZ LYS 73 10.751 11.255 10.093 644 3HZ LYS 73 3HZ LYS 73 11.431 10.893 11.607 645 H GLY 74 H GLY 74 5.360 9.314 8.361 646 1HA GLY 74 1HA GLY 74 3.139 9.905 7.119 647 2HA GLY 74 2HA GLY 74 3.409 11.466 7.889 648 H LEU 75 H LEU 75 3.301 11.840 5.388 649 HA LEU 75 HA LEU 75 5.907 11.450 4.104 650 1HB LEU 75 2HB LEU 75 3.402 12.690 2.949 651 2HB LEU 75 3HB LEU 75 4.816 12.123 2.061 652 HG LEU 75 HG LEU 75 3.316 10.216 3.841 653 1HD1 LEU 75 1HD1 LEU 75 2.575 10.986 1.001 654 2HD1 LEU 75 2HD1 LEU 75 1.929 9.591 1.871 655 3HD1 LEU 75 3HD1 LEU 75 1.586 11.223 2.443 656 1HD2 LEU 75 1HD2 LEU 75 4.357 9.400 1.200 657 2HD2 LEU 75 2HD2 LEU 75 5.592 9.992 2.310 658 3HD2 LEU 75 3HD2 LEU 75 4.564 8.638 2.777 659 HA PRO 76 HA PRO 76 7.195 15.627 4.624 660 1HB PRO 76 2HB PRO 76 8.242 15.961 1.957 661 2HB PRO 76 3HB PRO 76 9.121 15.556 3.438 662 1HG PRO 76 2HG PRO 76 8.740 13.864 1.292 663 2HG PRO 76 3HG PRO 76 9.180 13.363 2.932 664 1HD PRO 76 2HD PRO 76 6.524 13.244 1.574 665 2HD PRO 76 3HD PRO 76 7.213 12.166 2.805 666 H GLY 77 H GLY 77 5.372 16.904 4.812 667 1HA GLY 77 1HA GLY 77 3.629 18.305 4.205 668 2HA GLY 77 2HA GLY 77 4.856 18.987 3.143 669 H GLN 78 H GLN 78 4.408 19.002 1.037 670 HA GLN 78 HA GLN 78 2.035 17.664 0.053 671 1HB GLN 78 2HB GLN 78 3.005 20.034 -0.572 672 2HB GLN 78 3HB GLN 78 3.958 19.109 -1.733 673 1HG GLN 78 2HG GLN 78 0.933 19.068 -1.490 674 2HG GLN 78 3HG GLN 78 1.855 19.873 -2.760 675 1HE2 GLN 78 2HE2 GLN 78 0.287 16.962 -1.972 676 2HE2 GLN 78 1HE2 GLN 78 0.994 15.976 -3.160 677 H ALA 79 H ALA 79 2.073 15.619 -0.592 678 HA ALA 79 HA ALA 79 4.146 14.694 -2.409 679 1HB ALA 79 1HB ALA 79 4.885 14.274 0.044 680 2HB ALA 79 2HB ALA 79 3.657 13.007 0.030 681 3HB ALA 79 3HB ALA 79 4.999 12.948 -1.113 682 H LEU 80 H LEU 80 1.012 14.969 -1.768 683 HA LEU 80 HA LEU 80 -0.021 12.350 -2.167 684 1HB LEU 80 2HB LEU 80 -1.280 14.328 -1.206 685 2HB LEU 80 3HB LEU 80 -1.395 14.954 -2.850 686 HG LEU 80 HG LEU 80 -2.281 12.478 -3.334 687 1HD1 LEU 80 1HD1 LEU 80 -3.815 11.909 -1.343 688 2HD1 LEU 80 2HD1 LEU 80 -2.101 11.529 -1.169 689 3HD1 LEU 80 3HD1 LEU 80 -2.769 12.964 -0.393 690 1HD2 LEU 80 1HD2 LEU 80 -4.589 13.362 -3.018 691 2HD2 LEU 80 2HD2 LEU 80 -3.925 14.709 -2.091 692 3HD2 LEU 80 3HD2 LEU 80 -3.531 14.535 -3.802 693 H GLY 81 H GLY 81 0.187 11.175 -3.942 694 1HA GLY 81 1HA GLY 81 -0.561 10.976 -6.288 695 2HA GLY 81 2HA GLY 81 0.200 12.532 -6.576 696 H ASP 82 H ASP 82 2.317 11.303 -4.519 697 HA ASP 82 HA ASP 82 4.207 10.595 -6.521 698 1HB ASP 82 2HB ASP 82 4.151 10.585 -3.520 699 2HB ASP 82 3HB ASP 82 5.441 9.724 -4.357 700 H TYR 83 H TYR 83 4.636 8.640 -7.390 701 HA TYR 83 HA TYR 83 2.892 6.444 -6.886 702 1HB TYR 83 2HB TYR 83 5.358 6.890 -8.537 703 2HB TYR 83 3HB TYR 83 4.838 5.233 -8.228 704 HD1 TYR 83 HD1 TYR 83 3.631 4.352 -10.020 705 HD2 TYR 83 HD2 TYR 83 3.042 8.468 -8.929 706 HE1 TYR 83 HE1 TYR 83 1.894 4.569 -11.776 707 HE2 TYR 83 HE2 TYR 83 1.305 8.682 -10.686 708 HH TYR 83 HH TYR 83 0.883 7.289 -13.034 709 H VAL 84 H VAL 84 3.137 4.723 -5.539 710 HA VAL 84 HA VAL 84 5.342 4.878 -3.627 711 HB VAL 84 HB VAL 84 4.065 3.054 -2.447 712 1HG1 VAL 84 1HG1 VAL 84 2.068 4.624 -1.938 713 2HG1 VAL 84 2HG1 VAL 84 3.692 5.237 -1.625 714 3HG1 VAL 84 3HG1 VAL 84 2.828 5.731 -3.082 715 1HG2 VAL 84 1HG2 VAL 84 1.798 3.710 -4.327 716 2HG2 VAL 84 2HG2 VAL 84 2.915 2.394 -4.689 717 3HG2 VAL 84 3HG2 VAL 84 1.951 2.349 -3.215 718 H GLU 85 H GLU 85 6.433 2.844 -3.009 719 HA GLU 85 HA GLU 85 6.580 0.824 -5.117 720 1HB GLU 85 2HB GLU 85 8.929 2.536 -4.255 721 2HB GLU 85 3HB GLU 85 9.088 1.033 -5.155 722 1HG GLU 85 2HG GLU 85 9.072 2.548 -6.905 723 2HG GLU 85 3HG GLU 85 7.356 2.180 -6.789 724 H ILE 86 H ILE 86 7.328 -1.129 -4.372 725 HA ILE 86 HA ILE 86 7.611 -1.288 -1.443 726 HB ILE 86 HB ILE 86 6.893 -3.359 -3.542 727 1HG1 ILE 86 2HG1 ILE 86 4.926 -3.356 -1.641 728 2HG1 ILE 86 3HG1 ILE 86 5.424 -1.665 -1.598 729 1HG2 ILE 86 1HG2 ILE 86 7.915 -4.797 -2.083 730 2HG2 ILE 86 2HG2 ILE 86 7.872 -3.640 -0.756 731 3HG2 ILE 86 3HG2 ILE 86 6.434 -4.580 -1.152 732 1HD1 ILE 86 1HD1 ILE 86 4.344 -3.239 -3.939 733 2HD1 ILE 86 2HD1 ILE 86 3.735 -1.731 -3.257 734 3HD1 ILE 86 3HD1 ILE 86 5.241 -1.739 -4.177 735 H VAL 87 H VAL 87 9.843 -0.353 -1.817 736 HA VAL 87 HA VAL 87 11.705 -2.296 -3.007 737 HB VAL 87 HB VAL 87 12.706 0.212 -1.746 738 1HG1 VAL 87 1HG1 VAL 87 14.156 0.150 -3.725 739 2HG1 VAL 87 2HG1 VAL 87 14.170 -1.423 -2.927 740 3HG1 VAL 87 3HG1 VAL 87 13.218 -1.185 -4.392 741 1HG2 VAL 87 1HG2 VAL 87 11.183 0.146 -4.376 742 2HG2 VAL 87 2HG2 VAL 87 10.603 0.911 -2.901 743 3HG2 VAL 87 3HG2 VAL 87 12.038 1.537 -3.710 Start of MODEL 8 1 1H MET 1 1HT MET 1 13.692 -7.765 -6.491 2 2H MET 1 2HT MET 1 13.026 -9.233 -5.950 3 3H MET 1 3HT MET 1 12.681 -7.787 -5.129 4 HA MET 1 HA MET 1 12.003 -7.702 -7.925 5 1HB MET 1 2HB MET 1 10.842 -9.774 -6.062 6 2HB MET 1 3HB MET 1 9.865 -9.077 -7.354 7 1HG MET 1 2HG MET 1 12.600 -10.125 -8.006 8 2HG MET 1 3HG MET 1 11.276 -11.267 -7.788 9 1HE MET 1 1HE MET 1 8.910 -10.859 -10.529 10 2HE MET 1 2HE MET 1 8.624 -9.911 -9.072 11 3HE MET 1 3HE MET 1 9.358 -11.507 -8.944 12 H ARG 2 H ARG 2 11.382 -5.621 -7.783 13 HA ARG 2 HA ARG 2 9.832 -4.716 -5.457 14 1HB ARG 2 2HB ARG 2 10.243 -2.453 -6.304 15 2HB ARG 2 3HB ARG 2 11.763 -3.338 -6.176 16 1HG ARG 2 2HG ARG 2 11.649 -3.873 -8.592 17 2HG ARG 2 3HG ARG 2 10.142 -2.966 -8.715 18 1HD ARG 2 2HD ARG 2 11.504 -0.996 -7.707 19 2HD ARG 2 3HD ARG 2 12.918 -1.937 -8.174 20 HE ARG 2 HE ARG 2 12.119 -1.801 -10.490 21 1HH1 ARG 2 1HH1 ARG 2 9.285 -0.982 -10.075 22 2HH1 ARG 2 2HH1 ARG 2 9.327 0.719 -10.397 23 1HH2 ARG 2 1HH2 ARG 2 12.764 0.975 -10.046 24 2HH2 ARG 2 2HH2 ARG 2 11.290 1.826 -10.371 25 H ILE 3 H ILE 3 8.029 -3.128 -6.026 26 HA ILE 3 HA ILE 3 6.639 -3.744 -8.523 27 HB ILE 3 HB ILE 3 4.972 -3.979 -6.074 28 1HG1 ILE 3 2HG1 ILE 3 6.663 -6.273 -7.128 29 2HG1 ILE 3 3HG1 ILE 3 6.929 -5.448 -5.588 30 1HG2 ILE 3 1HG2 ILE 3 3.685 -5.439 -7.496 31 2HG2 ILE 3 2HG2 ILE 3 4.107 -4.013 -8.444 32 3HG2 ILE 3 3HG2 ILE 3 4.986 -5.524 -8.682 33 1HD1 ILE 3 1HD1 ILE 3 4.500 -7.055 -6.407 34 2HD1 ILE 3 2HD1 ILE 3 5.641 -7.422 -5.114 35 3HD1 ILE 3 3HD1 ILE 3 4.555 -6.039 -4.968 36 H LYS 4 H LYS 4 5.199 -2.187 -9.137 37 HA LYS 4 HA LYS 4 5.521 0.388 -7.855 38 1HB LYS 4 2HB LYS 4 3.883 -0.378 -10.274 39 2HB LYS 4 3HB LYS 4 4.326 1.256 -9.784 40 1HG LYS 4 2HG LYS 4 6.779 0.413 -9.913 41 2HG LYS 4 3HG LYS 4 6.115 -0.941 -10.835 42 1HD LYS 4 2HD LYS 4 5.261 0.510 -12.539 43 2HD LYS 4 3HD LYS 4 5.546 1.945 -11.554 44 1HE LYS 4 2HE LYS 4 7.872 1.861 -11.872 45 2HE LYS 4 3HE LYS 4 7.838 0.159 -12.328 46 1HZ LYS 4 1HZ LYS 4 6.666 2.363 -13.933 47 2HZ LYS 4 2HZ LYS 4 6.755 0.728 -14.379 48 3HZ LYS 4 3HZ LYS 4 8.177 1.646 -14.234 49 H GLY 5 H GLY 5 3.502 1.813 -7.796 50 1HA GLY 5 1HA GLY 5 0.952 0.669 -7.227 51 2HA GLY 5 2HA GLY 5 1.813 1.051 -5.736 52 H VAL 6 H VAL 6 -0.440 2.402 -6.039 53 HA VAL 6 HA VAL 6 0.477 5.131 -6.553 54 HB VAL 6 HB VAL 6 -2.041 4.040 -7.835 55 1HG1 VAL 6 1HG1 VAL 6 -1.934 6.237 -9.043 56 2HG1 VAL 6 2HG1 VAL 6 -2.174 6.409 -7.305 57 3HG1 VAL 6 3HG1 VAL 6 -0.582 6.694 -8.006 58 1HG2 VAL 6 1HG2 VAL 6 -0.730 4.416 -9.975 59 2HG2 VAL 6 2HG2 VAL 6 0.710 4.601 -8.976 60 3HG2 VAL 6 3HG2 VAL 6 -0.161 3.066 -8.993 61 H VAL 7 H VAL 7 -0.557 6.657 -5.390 62 HA VAL 7 HA VAL 7 -2.054 5.783 -3.084 63 HB VAL 7 HB VAL 7 -1.127 8.498 -4.041 64 1HG1 VAL 7 1HG1 VAL 7 -1.640 9.045 -1.542 65 2HG1 VAL 7 2HG1 VAL 7 -2.975 9.037 -2.695 66 3HG1 VAL 7 3HG1 VAL 7 -2.721 7.657 -1.627 67 1HG2 VAL 7 1HG2 VAL 7 0.280 8.106 -1.861 68 2HG2 VAL 7 2HG2 VAL 7 -0.103 6.408 -2.140 69 3HG2 VAL 7 3HG2 VAL 7 0.774 7.327 -3.364 70 H LEU 8 H LEU 8 -4.134 6.359 -2.525 71 HA LEU 8 HA LEU 8 -5.853 7.219 -4.767 72 1HB LEU 8 2HB LEU 8 -6.512 5.524 -2.341 73 2HB LEU 8 3HB LEU 8 -7.659 6.003 -3.591 74 HG LEU 8 HG LEU 8 -5.113 4.639 -4.406 75 1HD1 LEU 8 1HD1 LEU 8 -5.669 2.903 -3.024 76 2HD1 LEU 8 2HD1 LEU 8 -7.347 3.422 -2.870 77 3HD1 LEU 8 3HD1 LEU 8 -6.827 2.536 -4.303 78 1HD2 LEU 8 1HD2 LEU 8 -6.682 5.620 -6.074 79 2HD2 LEU 8 2HD2 LEU 8 -6.536 3.873 -6.247 80 3HD2 LEU 8 3HD2 LEU 8 -7.959 4.564 -5.467 81 H SER 9 H SER 9 -5.611 7.381 -1.193 82 HA SER 9 HA SER 9 -6.218 10.192 -1.217 83 1HB SER 9 2HB SER 9 -8.473 9.556 -1.496 84 2HB SER 9 3HB SER 9 -8.309 8.176 -0.414 85 HG SER 9 HG SER 9 -7.714 10.670 0.643 86 H TYR 10 H TYR 10 -5.111 11.055 0.419 87 HA TYR 10 HA TYR 10 -4.338 9.343 2.690 88 1HB TYR 10 2HB TYR 10 -2.468 10.435 1.606 89 2HB TYR 10 3HB TYR 10 -3.272 12.000 1.711 90 HD1 TYR 10 HD1 TYR 10 -2.595 13.409 3.426 91 HD2 TYR 10 HD2 TYR 10 -2.382 9.159 4.017 92 HE1 TYR 10 HE1 TYR 10 -1.659 13.774 5.681 93 HE2 TYR 10 HE2 TYR 10 -1.438 9.525 6.277 94 HH TYR 10 HH TYR 10 -0.336 11.181 7.573 95 H ARG 11 H ARG 11 -5.878 9.415 4.252 96 HA ARG 11 HA ARG 11 -7.237 11.944 4.836 97 1HB ARG 11 2HB ARG 11 -7.653 9.277 6.187 98 2HB ARG 11 3HB ARG 11 -8.737 10.668 6.176 99 1HG ARG 11 2HG ARG 11 -8.898 10.430 3.679 100 2HG ARG 11 3HG ARG 11 -7.981 8.931 3.818 101 1HD ARG 11 2HD ARG 11 -9.709 7.998 5.303 102 2HD ARG 11 3HD ARG 11 -10.620 9.502 5.197 103 HE ARG 11 HE ARG 11 -10.076 7.793 2.835 104 1HH1 ARG 11 1HH1 ARG 11 -12.591 8.058 4.877 105 2HH1 ARG 11 2HH1 ARG 11 -13.736 8.729 3.762 106 1HH2 ARG 11 1HH2 ARG 11 -11.348 9.423 1.339 107 2HH2 ARG 11 2HH2 ARG 11 -13.027 9.502 1.755 108 H ARG 12 H ARG 12 -7.155 12.988 6.802 109 HA ARG 12 HA ARG 12 -4.955 12.162 8.603 110 1HB ARG 12 2HB ARG 12 -4.643 14.296 7.189 111 2HB ARG 12 3HB ARG 12 -5.874 15.005 8.233 112 1HG ARG 12 2HG ARG 12 -4.520 14.486 10.223 113 2HG ARG 12 3HG ARG 12 -3.296 13.729 9.201 114 1HD ARG 12 2HD ARG 12 -2.866 15.848 8.071 115 2HD ARG 12 3HD ARG 12 -4.156 16.631 8.980 116 HE ARG 12 HE ARG 12 -1.536 15.802 10.039 117 1HH1 ARG 12 1HH2 ARG 12 -3.774 15.490 12.083 118 2HH1 ARG 12 2HH2 ARG 12 -3.743 17.032 12.875 119 1HH2 ARG 12 1HH1 ARG 12 -1.854 18.560 10.404 120 2HH2 ARG 12 2HH1 ARG 12 -2.649 18.767 11.930 121 H SER 13 H SER 13 -6.896 10.940 9.614 122 HA SER 13 HA SER 13 -9.114 12.043 10.757 123 1HB SER 13 2HB SER 13 -7.206 10.029 11.949 124 2HB SER 13 3HB SER 13 -8.729 10.464 12.714 125 HG SER 13 HG SER 13 -9.796 9.443 11.191 126 H LYS 14 H LYS 14 -9.312 13.950 11.738 127 HA LYS 14 HA LYS 14 -7.169 15.178 13.239 128 1HB LYS 14 2HB LYS 14 -10.044 16.097 13.037 129 2HB LYS 14 3HB LYS 14 -8.629 17.073 13.425 130 1HG LYS 14 2HG LYS 14 -7.736 16.776 11.190 131 2HG LYS 14 3HG LYS 14 -9.018 15.636 10.785 132 1HD LYS 14 2HD LYS 14 -10.699 17.448 11.146 133 2HD LYS 14 3HD LYS 14 -9.378 18.581 11.430 134 1HE LYS 14 2HE LYS 14 -8.585 18.385 9.200 135 2HE LYS 14 3HE LYS 14 -9.546 16.938 8.898 136 1HZ LYS 14 1HZ LYS 14 -10.507 19.721 9.237 137 2HZ LYS 14 2HZ LYS 14 -11.548 18.377 9.277 138 3HZ LYS 14 3HZ LYS 14 -10.659 18.729 7.871 139 H GLU 15 H GLU 15 -9.489 12.911 14.025 140 HA GLU 15 HA GLU 15 -10.291 13.782 16.612 141 1HB GLU 15 2HB GLU 15 -10.223 11.095 15.246 142 2HB GLU 15 3HB GLU 15 -10.815 11.302 16.896 143 1HG GLU 15 2HG GLU 15 -12.509 12.884 16.134 144 2HG GLU 15 3HG GLU 15 -11.870 12.824 14.492 145 H ASN 16 H ASN 16 -7.295 12.841 15.466 146 HA ASN 16 HA ASN 16 -5.292 12.353 16.483 147 1HB ASN 16 2HB ASN 16 -6.267 14.142 18.103 148 2HB ASN 16 3HB ASN 16 -6.562 12.773 19.172 149 1HD2 ASN 16 2HD2 ASN 16 -4.447 15.117 19.076 150 2HD2 ASN 16 1HD2 ASN 16 -2.992 14.302 19.392 151 H GLN 17 H GLN 17 -8.048 11.040 18.279 152 HA GLN 17 HA GLN 17 -6.641 8.689 19.142 153 1HB GLN 17 2HB GLN 17 -9.454 9.726 19.343 154 2HB GLN 17 3HB GLN 17 -9.137 8.026 19.686 155 1HG GLN 17 2HG GLN 17 -7.453 10.168 20.974 156 2HG GLN 17 3HG GLN 17 -9.025 9.739 21.654 157 1HE2 GLN 17 2HE2 GLN 17 -7.516 7.101 20.041 158 2HE2 GLN 17 1HE2 GLN 17 -6.923 6.309 21.419 159 H HIS 18 H HIS 18 -6.352 8.865 16.390 160 HA HIS 18 HA HIS 18 -7.485 6.347 15.566 161 1HB HIS 18 2HB HIS 18 -8.587 8.928 14.529 162 2HB HIS 18 3HB HIS 18 -8.359 7.607 13.385 163 HD1 HIS 18 HD1 HIS 18 -11.045 8.891 15.000 164 HD2 HIS 18 HD2 HIS 18 -9.371 5.077 15.212 165 HE1 HIS 18 HE1 HIS 18 -12.876 7.344 15.836 166 H ASN 19 H ASN 19 -5.577 9.168 15.092 167 HA ASN 19 HA ASN 19 -3.563 9.493 14.086 168 1HB ASN 19 2HB ASN 19 -3.383 6.919 14.840 169 2HB ASN 19 3HB ASN 19 -3.316 6.700 13.093 170 1HD2 ASN 19 2HD2 ASN 19 -1.744 8.510 15.769 171 2HD2 ASN 19 1HD2 ASN 19 -0.247 8.665 14.982 172 H ASN 20 H ASN 20 -2.586 9.596 11.891 173 HA ASN 20 HA ASN 20 -4.627 10.068 9.941 174 1HB ASN 20 2HB ASN 20 -2.750 10.673 8.456 175 2HB ASN 20 3HB ASN 20 -2.661 11.493 10.011 176 1HD2 ASN 20 2HD2 ASN 20 -1.158 10.395 11.676 177 2HD2 ASN 20 1HD2 ASN 20 0.232 9.627 11.081 178 H VAL 21 H VAL 21 -5.352 8.814 8.339 179 HA VAL 21 HA VAL 21 -4.118 6.162 8.018 180 HB VAL 21 HB VAL 21 -6.815 7.147 7.057 181 1HG1 VAL 21 1HG1 VAL 21 -5.475 4.424 7.107 182 2HG1 VAL 21 2HG1 VAL 21 -7.200 4.650 6.823 183 3HG1 VAL 21 3HG1 VAL 21 -6.026 5.313 5.687 184 1HG2 VAL 21 1HG2 VAL 21 -7.740 5.930 8.934 185 2HG2 VAL 21 2HG2 VAL 21 -6.152 5.297 9.365 186 3HG2 VAL 21 3HG2 VAL 21 -6.499 7.012 9.570 187 H MET 22 H MET 22 -3.970 5.285 5.845 188 HA MET 22 HA MET 22 -3.808 7.229 3.669 189 1HB MET 22 2HB MET 22 -1.611 7.252 4.857 190 2HB MET 22 3HB MET 22 -1.455 5.529 4.521 191 1HG MET 22 2HG MET 22 -1.331 5.884 2.179 192 2HG MET 22 3HG MET 22 -1.915 7.546 2.317 193 1HE MET 22 1HE MET 22 -0.002 9.196 1.470 194 2HE MET 22 2HE MET 22 0.015 7.659 0.608 195 3HE MET 22 3HE MET 22 1.534 8.393 1.128 196 H ILE 23 H ILE 23 -4.993 6.262 2.124 197 HA ILE 23 HA ILE 23 -5.105 3.363 1.939 198 HB ILE 23 HB ILE 23 -6.379 5.393 0.096 199 1HG1 ILE 23 2HG1 ILE 23 -7.387 4.165 2.686 200 2HG1 ILE 23 3HG1 ILE 23 -7.051 5.872 2.403 201 1HG2 ILE 23 1HG2 ILE 23 -6.202 2.922 -0.555 202 2HG2 ILE 23 2HG2 ILE 23 -7.258 2.585 0.816 203 3HG2 ILE 23 3HG2 ILE 23 -7.831 3.589 -0.519 204 1HD1 ILE 23 1HD1 ILE 23 -9.302 5.923 1.986 205 2HD1 ILE 23 2HD1 ILE 23 -8.774 5.431 0.377 206 3HD1 ILE 23 3HD1 ILE 23 -9.363 4.224 1.517 207 H ILE 24 H ILE 24 -4.117 2.128 0.436 208 HA ILE 24 HA ILE 24 -2.702 3.473 -1.765 209 HB ILE 24 HB ILE 24 -1.505 1.646 0.315 210 1HG1 ILE 24 2HG1 ILE 24 -0.482 4.188 -0.991 211 2HG1 ILE 24 3HG1 ILE 24 -1.443 4.180 0.486 212 1HG2 ILE 24 1HG2 ILE 24 0.509 1.587 -1.254 213 2HG2 ILE 24 2HG2 ILE 24 -0.865 0.593 -1.748 214 3HG2 ILE 24 3HG2 ILE 24 -0.579 2.147 -2.523 215 1HD1 ILE 24 1HD1 ILE 24 0.240 2.826 1.616 216 2HD1 ILE 24 2HD1 ILE 24 1.190 2.719 0.133 217 3HD1 ILE 24 3HD1 ILE 24 0.998 4.271 0.948 218 H LYS 25 H LYS 25 -2.237 2.109 -3.555 219 HA LYS 25 HA LYS 25 -3.465 -0.549 -3.576 220 1HB LYS 25 2HB LYS 25 -5.337 0.774 -4.249 221 2HB LYS 25 3HB LYS 25 -4.341 1.771 -5.306 222 1HG LYS 25 2HG LYS 25 -4.028 -0.008 -6.861 223 2HG LYS 25 3HG LYS 25 -4.640 -1.205 -5.725 224 1HD LYS 25 2HD LYS 25 -6.887 -0.211 -5.857 225 2HD LYS 25 3HD LYS 25 -6.285 1.032 -6.950 226 1HE LYS 25 2HE LYS 25 -5.452 -1.157 -8.294 227 2HE LYS 25 3HE LYS 25 -6.857 -1.842 -7.484 228 1HZ LYS 25 1HZ LYS 25 -7.767 -0.987 -9.391 229 2HZ LYS 25 2HZ LYS 25 -6.727 0.356 -9.434 230 3HZ LYS 25 3HZ LYS 25 -8.006 0.304 -8.318 231 HA PRO 26 HA PRO 26 0.333 -1.010 -5.908 232 1HB PRO 26 2HB PRO 26 -0.444 -3.669 -6.700 233 2HB PRO 26 3HB PRO 26 0.773 -3.188 -5.510 234 1HG PRO 26 2HG PRO 26 -1.759 -4.345 -5.031 235 2HG PRO 26 3HG PRO 26 -0.575 -3.783 -3.849 236 1HD PRO 26 2HD PRO 26 -3.114 -2.583 -4.555 237 2HD PRO 26 3HD PRO 26 -1.973 -2.090 -3.286 238 H LEU 27 H LEU 27 0.917 -1.522 -8.183 239 HA LEU 27 HA LEU 27 -0.532 -0.138 -10.034 240 1HB LEU 27 2HB LEU 27 1.832 -1.367 -10.123 241 2HB LEU 27 3HB LEU 27 0.901 -2.550 -11.034 242 HG LEU 27 HG LEU 27 0.019 -0.594 -12.422 243 1HD1 LEU 27 1HD1 LEU 27 0.499 1.393 -11.362 244 2HD1 LEU 27 2HD1 LEU 27 1.988 0.774 -10.649 245 3HD1 LEU 27 3HD1 LEU 27 1.960 1.267 -12.342 246 1HD2 LEU 27 1HD2 LEU 27 3.001 -1.167 -12.490 247 2HD2 LEU 27 2HD2 LEU 27 1.748 -2.182 -13.207 248 3HD2 LEU 27 3HD2 LEU 27 2.035 -0.562 -13.838 249 H ASP 28 H ASP 28 -0.370 -3.652 -10.507 250 HA ASP 28 HA ASP 28 -3.143 -3.576 -11.468 251 1HB ASP 28 2HB ASP 28 -2.191 -6.190 -11.710 252 2HB ASP 28 3HB ASP 28 -2.330 -4.990 -12.994 253 H VAL 29 H VAL 29 -1.546 -6.345 -9.909 254 HA VAL 29 HA VAL 29 -2.488 -7.819 -8.370 255 HB VAL 29 HB VAL 29 -2.628 -5.131 -6.960 256 1HG1 VAL 29 1HG1 VAL 29 -3.958 -6.271 -5.488 257 2HG1 VAL 29 2HG1 VAL 29 -3.464 -7.847 -6.105 258 3HG1 VAL 29 3HG1 VAL 29 -2.431 -6.981 -4.966 259 1HG2 VAL 29 1HG2 VAL 29 -0.630 -7.403 -7.056 260 2HG2 VAL 29 2HG2 VAL 29 -0.372 -5.717 -7.502 261 3HG2 VAL 29 3HG2 VAL 29 -0.589 -6.157 -5.808 262 H ASN 30 H ASN 30 -4.193 -7.469 -10.278 263 HA ASN 30 HA ASN 30 -6.702 -6.388 -9.332 264 1HB ASN 30 2HB ASN 30 -6.937 -7.792 -11.834 265 2HB ASN 30 3HB ASN 30 -7.120 -6.077 -11.498 266 1HD2 ASN 30 2HD2 ASN 30 -4.361 -8.414 -11.707 267 2HD2 ASN 30 1HD2 ASN 30 -3.372 -7.354 -12.591 268 H SER 31 H SER 31 -5.888 -8.430 -7.739 269 HA SER 31 HA SER 31 -8.119 -10.250 -7.967 270 1HB SER 31 2HB SER 31 -5.294 -11.142 -8.421 271 2HB SER 31 3HB SER 31 -6.431 -12.221 -7.617 272 HG SER 31 HG SER 31 -6.974 -10.901 -10.069 273 H ARG 32 H ARG 32 -8.902 -10.480 -5.992 274 HA ARG 32 HA ARG 32 -7.693 -9.430 -3.685 275 1HB ARG 32 2HB ARG 32 -10.178 -10.098 -4.136 276 2HB ARG 32 3HB ARG 32 -9.683 -11.680 -3.539 277 1HG ARG 32 2HG ARG 32 -8.725 -10.486 -1.506 278 2HG ARG 32 3HG ARG 32 -9.544 -9.033 -2.082 279 1HD ARG 32 2HD ARG 32 -11.109 -9.985 -0.599 280 2HD ARG 32 3HD ARG 32 -11.665 -10.529 -2.181 281 HE ARG 32 HE ARG 32 -10.125 -12.580 -1.537 282 1HH1 ARG 32 1HH1 ARG 32 -12.839 -11.120 -0.058 283 2HH1 ARG 32 2HH1 ARG 32 -12.945 -12.270 1.236 284 1HH2 ARG 32 1HH2 ARG 32 -10.017 -13.910 0.378 285 2HH2 ARG 32 2HH2 ARG 32 -11.355 -13.851 1.477 286 H GLU 33 H GLU 33 -7.435 -12.506 -5.275 287 HA GLU 33 HA GLU 33 -6.417 -14.075 -3.156 288 1HB GLU 33 2HB GLU 33 -7.148 -15.056 -5.277 289 2HB GLU 33 3HB GLU 33 -5.838 -14.237 -6.125 290 1HG GLU 33 2HG GLU 33 -4.174 -15.500 -4.895 291 2HG GLU 33 3HG GLU 33 -5.417 -16.214 -3.866 292 H GLU 34 H GLU 34 -4.743 -12.164 -5.658 293 HA GLU 34 HA GLU 34 -2.143 -12.588 -4.520 294 1HB GLU 34 2HB GLU 34 -2.691 -11.961 -6.948 295 2HB GLU 34 3HB GLU 34 -2.943 -10.322 -6.352 296 1HG GLU 34 2HG GLU 34 -0.675 -10.344 -7.011 297 2HG GLU 34 3HG GLU 34 -0.605 -10.558 -5.263 298 H ALA 35 H ALA 35 -4.642 -10.116 -4.354 299 HA ALA 35 HA ALA 35 -3.201 -8.149 -2.954 300 1HB ALA 35 1HB ALA 35 -5.653 -8.195 -4.025 301 2HB ALA 35 2HB ALA 35 -6.098 -8.504 -2.347 302 3HB ALA 35 3HB ALA 35 -5.204 -7.042 -2.770 303 H SER 36 H SER 36 -5.721 -10.257 -1.519 304 HA SER 36 HA SER 36 -5.198 -9.871 1.141 305 1HB SER 36 2HB SER 36 -7.034 -11.297 0.307 306 2HB SER 36 3HB SER 36 -5.863 -12.529 -0.156 307 HG SER 36 HG SER 36 -6.191 -13.192 1.820 308 H LYS 37 H LYS 37 -3.159 -11.354 -1.172 309 HA LYS 37 HA LYS 37 -1.589 -12.989 0.568 310 1HB LYS 37 2HB LYS 37 -1.847 -12.843 -2.109 311 2HB LYS 37 3HB LYS 37 -0.383 -11.885 -1.906 312 1HG LYS 37 2HG LYS 37 -0.785 -14.655 -0.747 313 2HG LYS 37 3HG LYS 37 0.070 -14.324 -2.253 314 1HD LYS 37 2HD LYS 37 1.424 -12.629 -0.717 315 2HD LYS 37 3HD LYS 37 0.884 -13.717 0.565 316 1HE LYS 37 2HE LYS 37 1.923 -15.611 -0.491 317 2HE LYS 37 3HE LYS 37 2.237 -14.687 -1.962 318 1HZ LYS 37 1HZ LYS 37 3.364 -13.297 0.174 319 2HZ LYS 37 2HZ LYS 37 4.163 -14.070 -1.111 320 3HZ LYS 37 3HZ LYS 37 3.842 -14.917 0.326 321 H LEU 38 H LEU 38 -0.713 -9.952 -1.153 322 HA LEU 38 HA LEU 38 1.547 -9.551 0.576 323 1HB LEU 38 2HB LEU 38 2.192 -7.932 -0.880 324 2HB LEU 38 3HB LEU 38 1.031 -8.723 -1.932 325 HG LEU 38 HG LEU 38 0.506 -6.265 -0.223 326 1HD1 LEU 38 1HD1 LEU 38 0.572 -5.041 -2.250 327 2HD1 LEU 38 2HD1 LEU 38 1.949 -6.138 -2.368 328 3HD1 LEU 38 3HD1 LEU 38 0.458 -6.503 -3.230 329 1HD2 LEU 38 1HD2 LEU 38 -1.618 -7.190 -0.341 330 2HD2 LEU 38 2HD2 LEU 38 -1.585 -6.357 -1.894 331 3HD2 LEU 38 3HD2 LEU 38 -1.258 -8.088 -1.815 332 H ILE 39 H ILE 39 -1.483 -9.462 1.393 333 HA ILE 39 HA ILE 39 -2.196 -7.028 2.457 334 HB ILE 39 HB ILE 39 -3.544 -9.147 2.532 335 1HG1 ILE 39 2HG1 ILE 39 -3.199 -7.797 5.231 336 2HG1 ILE 39 3HG1 ILE 39 -4.103 -7.099 3.886 337 1HG2 ILE 39 1HG2 ILE 39 -1.846 -9.740 4.977 338 2HG2 ILE 39 2HG2 ILE 39 -3.152 -10.732 4.331 339 3HG2 ILE 39 3HG2 ILE 39 -1.649 -10.550 3.424 340 1HD1 ILE 39 1HD1 ILE 39 -4.704 -9.699 5.326 341 2HD1 ILE 39 2HD1 ILE 39 -5.670 -8.222 5.353 342 3HD1 ILE 39 3HD1 ILE 39 -5.538 -9.160 3.867 343 H GLY 40 H GLY 40 0.544 -8.936 3.338 344 1HA GLY 40 1HA GLY 40 0.897 -7.295 5.781 345 2HA GLY 40 2HA GLY 40 1.398 -8.974 5.685 346 H ARG 41 H ARG 41 2.019 -7.444 2.737 347 HA ARG 41 HA ARG 41 4.857 -7.573 3.168 348 1HB ARG 41 2HB ARG 41 3.067 -6.901 0.880 349 2HB ARG 41 3HB ARG 41 4.710 -6.261 0.835 350 1HG ARG 41 2HG ARG 41 4.275 -9.156 1.518 351 2HG ARG 41 3HG ARG 41 4.214 -8.643 -0.165 352 1HD ARG 41 2HD ARG 41 6.456 -7.887 -0.138 353 2HD ARG 41 3HD ARG 41 6.526 -7.878 1.622 354 HE ARG 41 HE ARG 41 6.015 -10.514 0.761 355 1HH1 ARG 41 1HH2 ARG 41 8.352 -8.482 -0.527 356 2HH1 ARG 41 2HH2 ARG 41 9.715 -9.433 -0.040 357 1HH2 ARG 41 1HH1 ARG 41 7.839 -11.601 1.908 358 2HH2 ARG 41 2HH1 ARG 41 9.425 -11.200 1.341 359 H LEU 42 H LEU 42 6.191 -5.606 2.322 360 HA LEU 42 HA LEU 42 5.473 -3.312 4.017 361 1HB LEU 42 2HB LEU 42 7.694 -4.489 4.263 362 2HB LEU 42 3HB LEU 42 8.106 -3.923 2.648 363 HG LEU 42 HG LEU 42 7.122 -1.822 4.493 364 1HD1 LEU 42 1HD1 LEU 42 8.429 -3.052 6.112 365 2HD1 LEU 42 2HD1 LEU 42 9.739 -3.281 4.955 366 3HD1 LEU 42 3HD1 LEU 42 9.397 -1.673 5.591 367 1HD2 LEU 42 1HD2 LEU 42 9.741 -1.773 3.031 368 2HD2 LEU 42 2HD2 LEU 42 8.256 -1.738 2.081 369 3HD2 LEU 42 3HD2 LEU 42 8.569 -0.478 3.270 370 H VAL 43 H VAL 43 6.213 -1.144 3.120 371 HA VAL 43 HA VAL 43 5.894 -0.922 0.204 372 HB VAL 43 HB VAL 43 4.220 0.881 0.486 373 1HG1 VAL 43 1HG1 VAL 43 3.712 -1.699 0.360 374 2HG1 VAL 43 2HG1 VAL 43 3.160 -1.476 2.022 375 3HG1 VAL 43 3HG1 VAL 43 2.407 -0.568 0.710 376 1HG2 VAL 43 1HG2 VAL 43 3.096 0.760 2.893 377 2HG2 VAL 43 2HG2 VAL 43 4.709 0.247 3.384 378 3HG2 VAL 43 3HG2 VAL 43 4.480 1.815 2.610 379 H LEU 44 H LEU 44 7.925 -0.198 -0.151 380 HA LEU 44 HA LEU 44 8.914 2.094 1.424 381 1HB LEU 44 2HB LEU 44 10.331 -0.027 1.051 382 2HB LEU 44 3HB LEU 44 10.498 0.532 -0.613 383 HG LEU 44 HG LEU 44 11.142 2.305 1.754 384 1HD1 LEU 44 1HD1 LEU 44 13.121 0.680 0.138 385 2HD1 LEU 44 2HD1 LEU 44 13.453 1.667 1.562 386 3HD1 LEU 44 3HD1 LEU 44 12.521 0.177 1.716 387 1HD2 LEU 44 1HD2 LEU 44 11.545 2.401 -1.227 388 2HD2 LEU 44 2HD2 LEU 44 10.985 3.672 -0.138 389 3HD2 LEU 44 3HD2 LEU 44 12.691 3.230 -0.175 390 H TRP 45 H TRP 45 7.986 3.825 0.560 391 HA TRP 45 HA TRP 45 8.151 4.281 -2.351 392 1HB TRP 45 2HB TRP 45 5.919 4.567 -1.705 393 2HB TRP 45 3HB TRP 45 6.350 5.291 -0.159 394 HD1 TRP 45 HD1 TRP 45 6.958 6.177 -3.892 395 HE1 TRP 45 HE1 TRP 45 6.568 8.713 -4.178 396 HE3 TRP 45 HE3 TRP 45 5.830 7.465 0.927 397 HZ2 TRP 45 HZ2 TRP 45 5.893 10.974 -2.582 398 HZ3 TRP 45 HZ3 TRP 45 5.316 9.827 1.505 399 HH2 TRP 45 HH2 TRP 45 5.354 11.576 -0.242 400 H LYS 46 H LYS 46 9.861 5.489 -2.956 401 HA LYS 46 HA LYS 46 11.232 7.164 -1.034 402 1HB LYS 46 2HB LYS 46 12.802 7.569 -2.918 403 2HB LYS 46 3HB LYS 46 12.580 5.861 -2.557 404 1HG LYS 46 2HG LYS 46 10.650 6.092 -4.377 405 2HG LYS 46 3HG LYS 46 11.651 7.435 -4.926 406 1HD LYS 46 2HD LYS 46 13.622 5.826 -4.880 407 2HD LYS 46 3HD LYS 46 12.447 4.528 -4.650 408 1HE LYS 46 2HE LYS 46 12.675 4.561 -6.975 409 2HE LYS 46 3HE LYS 46 11.267 5.591 -6.737 410 1HZ LYS 46 1HZ LYS 46 12.747 7.523 -6.782 411 2HZ LYS 46 2HZ LYS 46 12.812 6.642 -8.233 412 3HZ LYS 46 3HZ LYS 46 14.070 6.508 -7.096 413 H SER 47 H SER 47 10.242 9.039 -0.568 414 HA SER 47 HA SER 47 8.598 10.483 -2.375 415 1HB SER 47 2HB SER 47 8.780 10.544 0.261 416 2HB SER 47 3HB SER 47 9.940 11.830 -0.062 417 HG SER 47 HG SER 47 8.358 12.967 -1.119 418 HA PRO 48 HA PRO 48 11.999 12.221 -4.727 419 1HB PRO 48 2HB PRO 48 10.243 14.138 -5.949 420 2HB PRO 48 3HB PRO 48 10.938 12.677 -6.662 421 1HG PRO 48 2HG PRO 48 8.253 13.145 -5.870 422 2HG PRO 48 3HG PRO 48 8.950 11.687 -6.583 423 1HD PRO 48 2HD PRO 48 8.059 12.076 -3.878 424 2HD PRO 48 3HD PRO 48 8.764 10.612 -4.593 425 H SER 49 H SER 49 10.088 13.671 -2.351 426 HA SER 49 HA SER 49 11.220 16.332 -2.534 427 1HB SER 49 2HB SER 49 8.924 15.961 -1.680 428 2HB SER 49 3HB SER 49 9.582 15.066 -0.315 429 HG SER 49 HG SER 49 9.947 16.914 0.596 430 H GLY 50 H GLY 50 12.369 13.397 -1.450 431 1HA GLY 50 1HA GLY 50 14.553 13.106 -0.565 432 2HA GLY 50 2HA GLY 50 14.460 14.728 0.120 433 H LYS 51 H LYS 51 12.508 11.749 0.332 434 HA LYS 51 HA LYS 51 13.032 11.420 3.138 435 1HB LYS 51 2HB LYS 51 11.391 13.338 3.089 436 2HB LYS 51 3HB LYS 51 10.222 12.237 2.357 437 1HG LYS 51 2HG LYS 51 10.179 10.834 4.280 438 2HG LYS 51 3HG LYS 51 11.627 11.586 4.955 439 1HD LYS 51 2HD LYS 51 9.344 13.405 4.407 440 2HD LYS 51 3HD LYS 51 9.120 12.258 5.723 441 1HE LYS 51 2HE LYS 51 11.582 13.999 5.488 442 2HE LYS 51 3HE LYS 51 10.148 14.497 6.382 443 1HZ LYS 51 1HZ LYS 51 12.079 13.217 7.556 444 2HZ LYS 51 2HZ LYS 51 11.299 11.853 6.917 445 3HZ LYS 51 3HZ LYS 51 10.463 12.900 7.964 446 H ILE 52 H ILE 52 13.435 9.268 2.824 447 HA ILE 52 HA ILE 52 11.659 7.622 1.226 448 HB ILE 52 HB ILE 52 13.899 6.709 3.036 449 1HG1 ILE 52 2HG1 ILE 52 14.754 8.435 1.506 450 2HG1 ILE 52 3HG1 ILE 52 15.342 6.850 1.013 451 1HG2 ILE 52 1HG2 ILE 52 13.111 5.404 0.459 452 2HG2 ILE 52 2HG2 ILE 52 13.766 4.678 1.928 453 3HG2 ILE 52 3HG2 ILE 52 12.073 5.168 1.864 454 1HD1 ILE 52 1HD1 ILE 52 14.618 7.974 -0.982 455 2HD1 ILE 52 2HD1 ILE 52 13.390 6.763 -0.616 456 3HD1 ILE 52 3HD1 ILE 52 13.097 8.459 -0.230 457 H LEU 53 H LEU 53 9.713 7.106 2.048 458 HA LEU 53 HA LEU 53 9.530 6.530 4.940 459 1HB LEU 53 2HB LEU 53 7.307 7.109 2.973 460 2HB LEU 53 3HB LEU 53 7.127 6.885 4.714 461 HG LEU 53 HG LEU 53 8.729 9.079 3.358 462 1HD1 LEU 53 1HD1 LEU 53 6.403 9.588 5.168 463 2HD1 LEU 53 2HD1 LEU 53 6.983 10.526 3.791 464 3HD1 LEU 53 3HD1 LEU 53 6.066 9.041 3.527 465 1HD2 LEU 53 1HD2 LEU 53 9.877 8.808 5.359 466 2HD2 LEU 53 2HD2 LEU 53 8.603 9.907 5.886 467 3HD2 LEU 53 3HD2 LEU 53 8.467 8.176 6.207 468 H LYS 54 H LYS 54 8.711 4.632 5.691 469 HA LYS 54 HA LYS 54 7.808 2.576 3.855 470 1HB LYS 54 2HB LYS 54 9.655 1.162 5.254 471 2HB LYS 54 3HB LYS 54 9.936 1.849 3.660 472 1HG LYS 54 2HG LYS 54 10.993 3.794 4.574 473 2HG LYS 54 3HG LYS 54 10.485 3.377 6.209 474 1HD LYS 54 2HD LYS 54 12.182 1.437 4.671 475 2HD LYS 54 3HD LYS 54 12.939 2.851 5.407 476 1HE LYS 54 2HE LYS 54 11.928 2.222 7.591 477 2HE LYS 54 3HE LYS 54 11.268 0.768 6.842 478 1HZ LYS 54 1HZ LYS 54 13.272 -0.214 6.775 479 2HZ LYS 54 2HZ LYS 54 13.650 0.873 8.024 480 3HZ LYS 54 3HZ LYS 54 14.100 1.222 6.424 481 H GLY 55 H GLY 55 5.894 2.283 4.863 482 1HA GLY 55 1HA GLY 55 5.853 1.792 7.779 483 2HA GLY 55 2HA GLY 55 4.458 2.244 6.798 484 H LYS 56 H LYS 56 3.140 0.480 7.228 485 HA LYS 56 HA LYS 56 3.871 -1.977 5.861 486 1HB LYS 56 2HB LYS 56 4.739 -2.105 8.278 487 2HB LYS 56 3HB LYS 56 3.041 -2.200 8.744 488 1HG LYS 56 2HG LYS 56 2.719 -4.249 7.623 489 2HG LYS 56 3HG LYS 56 4.153 -4.028 6.618 490 1HD LYS 56 2HD LYS 56 5.626 -4.476 8.423 491 2HD LYS 56 3HD LYS 56 4.348 -4.273 9.621 492 1HE LYS 56 2HE LYS 56 4.030 -6.404 7.543 493 2HE LYS 56 3HE LYS 56 5.135 -6.693 8.888 494 1HZ LYS 56 1HZ LYS 56 3.442 -6.980 10.273 495 2HZ LYS 56 2HZ LYS 56 2.413 -7.008 8.920 496 3HZ LYS 56 3HZ LYS 56 2.674 -5.558 9.768 497 H ILE 57 H ILE 57 2.134 -3.070 5.120 498 HA ILE 57 HA ILE 57 -0.415 -1.789 5.133 499 HB ILE 57 HB ILE 57 0.474 -4.519 4.156 500 1HG1 ILE 57 2HG1 ILE 57 -0.327 -2.079 2.562 501 2HG1 ILE 57 3HG1 ILE 57 1.337 -2.330 3.093 502 1HG2 ILE 57 1HG2 ILE 57 -2.162 -3.041 3.876 503 2HG2 ILE 57 2HG2 ILE 57 -1.713 -4.433 2.890 504 3HG2 ILE 57 3HG2 ILE 57 -1.905 -4.607 4.635 505 1HD1 ILE 57 1HD1 ILE 57 1.112 -3.248 0.867 506 2HD1 ILE 57 2HD1 ILE 57 1.274 -4.587 2.004 507 3HD1 ILE 57 3HD1 ILE 57 -0.309 -4.173 1.346 508 H VAL 58 H VAL 58 -2.229 -2.255 6.272 509 HA VAL 58 HA VAL 58 -1.890 -4.129 8.510 510 HB VAL 58 HB VAL 58 -3.998 -2.740 9.307 511 1HG1 VAL 58 1HG1 VAL 58 -1.785 -2.815 10.420 512 2HG1 VAL 58 2HG1 VAL 58 -1.167 -1.635 9.263 513 3HG1 VAL 58 3HG1 VAL 58 -2.430 -1.175 10.403 514 1HG2 VAL 58 1HG2 VAL 58 -2.596 -0.602 7.722 515 2HG2 VAL 58 2HG2 VAL 58 -3.857 -1.559 6.942 516 3HG2 VAL 58 3HG2 VAL 58 -4.232 -0.608 8.378 517 H ARG 59 H ARG 59 -4.105 -3.374 5.827 518 HA ARG 59 HA ARG 59 -5.144 -6.046 5.918 519 1HB ARG 59 2HB ARG 59 -7.591 -5.080 6.191 520 2HB ARG 59 3HB ARG 59 -6.628 -5.530 7.595 521 1HG ARG 59 2HG ARG 59 -6.021 -3.257 8.032 522 2HG ARG 59 3HG ARG 59 -6.637 -2.720 6.467 523 1HD ARG 59 2HD ARG 59 -8.877 -2.936 7.126 524 2HD ARG 59 3HD ARG 59 -8.492 -4.065 8.422 525 HE ARG 59 HE ARG 59 -8.250 -1.141 8.521 526 1HH1 ARG 59 1HH1 ARG 59 -7.495 -4.191 9.997 527 2HH1 ARG 59 2HH1 ARG 59 -7.439 -3.543 11.602 528 1HH2 ARG 59 1HH2 ARG 59 -8.264 -0.325 10.633 529 2HH2 ARG 59 2HH2 ARG 59 -7.862 -1.362 11.960 530 H VAL 60 H VAL 60 -6.638 -6.516 4.179 531 HA VAL 60 HA VAL 60 -6.241 -4.675 1.919 532 HB VAL 60 HB VAL 60 -5.576 -7.092 1.716 533 1HG1 VAL 60 1HG1 VAL 60 -8.525 -7.669 1.485 534 2HG1 VAL 60 2HG1 VAL 60 -7.191 -8.804 1.674 535 3HG1 VAL 60 3HG1 VAL 60 -7.700 -7.808 3.037 536 1HG2 VAL 60 1HG2 VAL 60 -5.809 -6.167 -0.392 537 2HG2 VAL 60 2HG2 VAL 60 -7.133 -7.327 -0.472 538 3HG2 VAL 60 3HG2 VAL 60 -7.462 -5.638 -0.092 539 H HIS 61 H HIS 61 -7.832 -3.372 1.315 540 HA HIS 61 HA HIS 61 -10.620 -4.281 1.583 541 1HB HIS 61 2HB HIS 61 -9.412 -1.845 2.853 542 2HB HIS 61 3HB HIS 61 -11.091 -1.807 2.325 543 HD1 HIS 61 HD1 HIS 61 -8.998 -4.434 4.158 544 HD2 HIS 61 HD2 HIS 61 -12.660 -2.472 4.492 545 HE1 HIS 61 HE1 HIS 61 -10.120 -5.363 6.232 546 H GLY 62 H GLY 62 -11.825 -3.791 -0.169 547 1HA GLY 62 1HA GLY 62 -12.385 -1.965 -1.804 548 2HA GLY 62 2HA GLY 62 -10.658 -1.918 -2.140 549 H THR 63 H THR 63 -10.903 -5.023 -1.655 550 HA THR 63 HA THR 63 -10.875 -6.852 -3.038 551 HB THR 63 HB THR 63 -12.897 -7.041 -4.576 552 HG1 THR 63 HG1 THR 63 -14.168 -5.007 -3.299 553 1HG2 THR 63 1HG2 THR 63 -14.410 -7.376 -2.689 554 2HG2 THR 63 2HG2 THR 63 -12.785 -7.891 -2.237 555 3HG2 THR 63 3HG2 THR 63 -13.409 -6.342 -1.671 556 H LYS 64 H LYS 64 -10.861 -7.536 -5.467 557 HA LYS 64 HA LYS 64 -9.879 -7.338 -7.545 558 1HB LYS 64 2HB LYS 64 -11.481 -5.470 -7.918 559 2HB LYS 64 3HB LYS 64 -10.319 -4.352 -7.201 560 1HG LYS 64 2HG LYS 64 -8.729 -4.717 -8.955 561 2HG LYS 64 3HG LYS 64 -9.612 -6.118 -9.560 562 1HD LYS 64 2HD LYS 64 -9.974 -4.095 -10.971 563 2HD LYS 64 3HD LYS 64 -11.476 -4.681 -10.249 564 1HE LYS 64 2HE LYS 64 -11.489 -2.964 -8.610 565 2HE LYS 64 3HE LYS 64 -9.799 -2.563 -8.902 566 1HZ LYS 64 1HZ LYS 64 -11.394 -2.338 -11.264 567 2HZ LYS 64 2HZ LYS 64 -10.350 -1.205 -10.546 568 3HZ LYS 64 3HZ LYS 64 -11.958 -1.337 -10.016 569 H GLY 65 H GLY 65 -8.841 -4.679 -5.415 570 1HA GLY 65 1HA GLY 65 -6.355 -5.527 -4.761 571 2HA GLY 65 2HA GLY 65 -6.128 -4.713 -6.308 572 H ALA 66 H ALA 66 -5.990 -4.266 -3.132 573 HA ALA 66 HA ALA 66 -5.579 -1.514 -3.148 574 1HB ALA 66 1HB ALA 66 -7.708 -0.929 -1.770 575 2HB ALA 66 2HB ALA 66 -7.839 -1.005 -3.525 576 3HB ALA 66 3HB ALA 66 -8.406 -2.355 -2.538 577 H VAL 67 H VAL 67 -5.250 -0.690 -0.916 578 HA VAL 67 HA VAL 67 -5.506 -2.589 1.251 579 HB VAL 67 HB VAL 67 -3.012 -2.496 1.754 580 1HG1 VAL 67 1HG1 VAL 67 -4.398 -4.428 0.645 581 2HG1 VAL 67 2HG1 VAL 67 -3.525 -3.969 -0.817 582 3HG1 VAL 67 3HG1 VAL 67 -2.639 -4.508 0.611 583 1HG2 VAL 67 1HG2 VAL 67 -2.340 -0.735 0.252 584 2HG2 VAL 67 2HG2 VAL 67 -1.595 -2.232 -0.316 585 3HG2 VAL 67 3HG2 VAL 67 -3.017 -1.590 -1.134 586 H ARG 68 H ARG 68 -5.346 -1.679 3.231 587 HA ARG 68 HA ARG 68 -5.274 1.246 3.315 588 1HB ARG 68 2HB ARG 68 -7.021 -0.325 4.498 589 2HB ARG 68 3HB ARG 68 -5.747 -0.528 5.700 590 1HG ARG 68 2HG ARG 68 -5.673 1.844 6.141 591 2HG ARG 68 3HG ARG 68 -6.725 2.192 4.769 592 1HD ARG 68 2HD ARG 68 -7.534 0.579 7.209 593 2HD ARG 68 3HD ARG 68 -7.951 2.268 6.930 594 HE ARG 68 HE ARG 68 -8.779 0.751 4.700 595 1HH1 ARG 68 1HH1 ARG 68 -10.067 2.475 7.187 596 2HH1 ARG 68 2HH1 ARG 68 -11.480 1.503 7.420 597 1HH2 ARG 68 1HH2 ARG 68 -10.385 -1.063 5.364 598 2HH2 ARG 68 2HH2 ARG 68 -11.658 -0.493 6.392 599 H ALA 69 H ALA 69 -3.891 2.330 4.856 600 HA ALA 69 HA ALA 69 -1.688 0.751 5.964 601 1HB ALA 69 1HB ALA 69 -1.246 3.075 4.074 602 2HB ALA 69 2HB ALA 69 0.015 2.225 4.968 603 3HB ALA 69 3HB ALA 69 -0.905 1.382 3.721 604 H ARG 70 H ARG 70 -0.225 2.197 7.303 605 HA ARG 70 HA ARG 70 -1.524 4.611 8.309 606 1HB ARG 70 2HB ARG 70 -0.864 2.277 10.135 607 2HB ARG 70 3HB ARG 70 -1.467 3.856 10.640 608 1HG ARG 70 2HG ARG 70 -3.477 3.438 9.126 609 2HG ARG 70 3HG ARG 70 -2.916 1.770 8.988 610 1HD ARG 70 2HD ARG 70 -3.071 1.479 11.403 611 2HD ARG 70 3HD ARG 70 -3.508 3.173 11.609 612 HE ARG 70 HE ARG 70 -5.355 1.966 9.846 613 1HH1 ARG 70 1HH2 ARG 70 -4.560 2.482 13.151 614 2HH1 ARG 70 2HH2 ARG 70 -6.013 1.770 13.770 615 1HH2 ARG 70 1HH1 ARG 70 -7.182 0.805 10.654 616 2HH2 ARG 70 2HH1 ARG 70 -7.491 0.825 12.357 617 H PHE 71 H PHE 71 0.036 6.045 8.156 618 HA PHE 71 HA PHE 71 2.834 5.273 8.591 619 1HB PHE 71 2HB PHE 71 1.472 7.650 7.339 620 2HB PHE 71 3HB PHE 71 3.182 7.702 7.768 621 HD1 PHE 71 HD1 PHE 71 0.631 5.919 5.752 622 HD2 PHE 71 HD2 PHE 71 4.827 6.529 6.451 623 HE1 PHE 71 HE1 PHE 71 1.153 4.680 3.671 624 HE2 PHE 71 HE2 PHE 71 5.350 5.282 4.365 625 HZ PHE 71 HZ PHE 71 3.512 4.361 2.975 626 H GLU 72 H GLU 72 3.472 5.382 10.670 627 HA GLU 72 HA GLU 72 2.280 7.290 12.508 628 1HB GLU 72 2HB GLU 72 4.331 5.102 12.771 629 2HB GLU 72 3HB GLU 72 4.096 6.281 14.064 630 1HG GLU 72 2HG GLU 72 2.702 4.289 14.450 631 2HG GLU 72 3HG GLU 72 1.696 5.705 14.160 632 H LYS 73 H LYS 73 4.819 7.251 10.284 633 HA LYS 73 HA LYS 73 6.588 9.097 11.639 634 1HB LYS 73 2HB LYS 73 6.469 7.913 8.868 635 2HB LYS 73 3HB LYS 73 7.629 9.167 9.284 636 1HG LYS 73 2HG LYS 73 7.392 6.753 11.052 637 2HG LYS 73 3HG LYS 73 8.285 6.625 9.536 638 1HD LYS 73 2HD LYS 73 9.742 8.470 10.194 639 2HD LYS 73 3HD LYS 73 8.814 8.706 11.676 640 1HE LYS 73 2HE LYS 73 9.364 6.291 12.262 641 2HE LYS 73 3HE LYS 73 10.508 6.318 10.919 642 1HZ LYS 73 1HZ LYS 73 11.918 7.645 12.028 643 2HZ LYS 73 2HZ LYS 73 11.129 7.037 13.405 644 3HZ LYS 73 3HZ LYS 73 10.687 8.548 12.765 645 H GLY 74 H GLY 74 5.192 9.426 8.395 646 1HA GLY 74 1HA GLY 74 3.376 11.227 8.239 647 2HA GLY 74 2HA GLY 74 4.587 12.259 8.992 648 H LEU 75 H LEU 75 3.348 12.650 6.433 649 HA LEU 75 HA LEU 75 5.377 11.985 4.441 650 1HB LEU 75 2HB LEU 75 3.092 13.796 3.808 651 2HB LEU 75 3HB LEU 75 3.801 12.497 2.851 652 HG LEU 75 HG LEU 75 2.042 12.143 5.301 653 1HD1 LEU 75 1HD1 LEU 75 1.571 11.517 2.370 654 2HD1 LEU 75 2HD1 LEU 75 0.443 11.200 3.689 655 3HD1 LEU 75 3HD1 LEU 75 0.848 12.861 3.253 656 1HD2 LEU 75 1HD2 LEU 75 3.662 10.250 3.610 657 2HD2 LEU 75 2HD2 LEU 75 3.469 10.284 5.362 658 3HD2 LEU 75 3HD2 LEU 75 2.160 9.689 4.344 659 HA PRO 76 HA PRO 76 7.343 15.927 4.442 660 1HB PRO 76 2HB PRO 76 7.213 16.482 1.615 661 2HB PRO 76 3HB PRO 76 8.560 15.794 2.531 662 1HG PRO 76 2HG PRO 76 7.061 14.449 0.652 663 2HG PRO 76 3HG PRO 76 8.060 13.698 1.903 664 1HD PRO 76 2HD PRO 76 5.096 14.049 1.822 665 2HD PRO 76 3HD PRO 76 6.058 12.742 2.552 666 H GLY 77 H GLY 77 5.472 16.703 1.567 667 1HA GLY 77 1HA GLY 77 3.398 18.162 2.808 668 2HA GLY 77 2HA GLY 77 4.712 19.260 2.395 669 H GLN 78 H GLN 78 2.013 17.547 1.256 670 HA GLN 78 HA GLN 78 0.895 17.626 -0.744 671 1HB GLN 78 2HB GLN 78 1.937 20.034 -0.676 672 2HB GLN 78 3HB GLN 78 3.012 19.404 -1.922 673 1HG GLN 78 2HG GLN 78 -0.012 19.241 -2.070 674 2HG GLN 78 3HG GLN 78 0.941 20.515 -2.827 675 1HE2 GLN 78 2HE2 GLN 78 0.411 16.985 -2.831 676 2HE2 GLN 78 1HE2 GLN 78 1.013 16.728 -4.398 677 H ALA 79 H ALA 79 2.035 15.357 -0.548 678 HA ALA 79 HA ALA 79 3.671 14.964 -2.984 679 1HB ALA 79 1HB ALA 79 4.562 14.345 -0.569 680 2HB ALA 79 2HB ALA 79 3.581 12.900 -0.821 681 3HB ALA 79 3HB ALA 79 4.879 13.294 -1.947 682 H LEU 80 H LEU 80 0.613 14.678 -1.839 683 HA LEU 80 HA LEU 80 -0.298 12.122 -2.436 684 1HB LEU 80 2HB LEU 80 -1.577 14.158 -1.486 685 2HB LEU 80 3HB LEU 80 -1.862 14.593 -3.167 686 HG LEU 80 HG LEU 80 -2.676 12.098 -3.391 687 1HD1 LEU 80 1HD1 LEU 80 -3.513 12.472 -0.545 688 2HD1 LEU 80 2HD1 LEU 80 -3.302 10.982 -1.461 689 3HD1 LEU 80 3HD1 LEU 80 -1.894 11.849 -0.846 690 1HD2 LEU 80 1HD2 LEU 80 -4.961 12.871 -2.456 691 2HD2 LEU 80 2HD2 LEU 80 -4.148 14.395 -2.098 692 3HD2 LEU 80 3HD2 LEU 80 -4.253 13.821 -3.762 693 H GLY 81 H GLY 81 0.014 10.969 -4.233 694 1HA GLY 81 1HA GLY 81 -0.866 10.802 -6.575 695 2HA GLY 81 2HA GLY 81 -0.076 12.349 -6.852 696 H ASP 82 H ASP 82 2.100 11.100 -4.902 697 HA ASP 82 HA ASP 82 3.849 10.309 -7.009 698 1HB ASP 82 2HB ASP 82 4.064 10.213 -4.001 699 2HB ASP 82 3HB ASP 82 5.344 9.648 -5.068 700 H TYR 83 H TYR 83 4.406 8.342 -7.711 701 HA TYR 83 HA TYR 83 2.701 6.118 -7.192 702 1HB TYR 83 2HB TYR 83 5.089 6.701 -8.861 703 2HB TYR 83 3HB TYR 83 4.801 5.009 -8.462 704 HD1 TYR 83 HD1 TYR 83 2.805 8.019 -9.488 705 HD2 TYR 83 HD2 TYR 83 3.492 3.805 -9.958 706 HE1 TYR 83 HE1 TYR 83 1.051 7.926 -11.227 707 HE2 TYR 83 HE2 TYR 83 1.734 3.712 -11.705 708 HH TYR 83 HH TYR 83 0.298 4.892 -12.933 709 H VAL 84 H VAL 84 2.853 4.670 -5.607 710 HA VAL 84 HA VAL 84 5.253 4.675 -3.923 711 HB VAL 84 HB VAL 84 3.895 3.451 -2.320 712 1HG1 VAL 84 1HG1 VAL 84 2.207 5.654 -3.526 713 2HG1 VAL 84 2HG1 VAL 84 2.329 5.199 -1.827 714 3HG1 VAL 84 3HG1 VAL 84 3.694 5.971 -2.634 715 1HG2 VAL 84 1HG2 VAL 84 2.604 2.034 -3.827 716 2HG2 VAL 84 2HG2 VAL 84 1.480 3.020 -2.896 717 3HG2 VAL 84 3HG2 VAL 84 1.849 3.448 -4.564 718 H GLU 85 H GLU 85 6.276 2.695 -3.326 719 HA GLU 85 HA GLU 85 5.720 0.370 -4.998 720 1HB GLU 85 2HB GLU 85 8.543 1.381 -4.968 721 2HB GLU 85 3HB GLU 85 7.749 0.327 -6.137 722 1HG GLU 85 2HG GLU 85 6.355 2.267 -6.869 723 2HG GLU 85 3HG GLU 85 7.274 3.298 -5.781 724 H ILE 86 H ILE 86 7.087 -1.473 -4.391 725 HA ILE 86 HA ILE 86 7.672 -1.400 -1.503 726 HB ILE 86 HB ILE 86 7.244 -3.810 -3.306 727 1HG1 ILE 86 2HG1 ILE 86 5.099 -3.883 -1.740 728 2HG1 ILE 86 3HG1 ILE 86 5.368 -2.143 -1.642 729 1HG2 ILE 86 1HG2 ILE 86 6.831 -4.819 -0.941 730 2HG2 ILE 86 2HG2 ILE 86 8.495 -4.536 -1.448 731 3HG2 ILE 86 3HG2 ILE 86 7.699 -3.400 -0.358 732 1HD1 ILE 86 1HD1 ILE 86 5.629 -2.565 -4.339 733 2HD1 ILE 86 2HD1 ILE 86 4.428 -3.783 -3.912 734 3HD1 ILE 86 3HD1 ILE 86 4.124 -2.085 -3.554 735 H VAL 87 H VAL 87 9.734 -0.252 -2.150 736 HA VAL 87 HA VAL 87 11.696 -2.124 -3.345 737 HB VAL 87 HB VAL 87 12.542 0.655 -2.791 738 1HG1 VAL 87 1HG1 VAL 87 13.944 -0.957 -4.015 739 2HG1 VAL 87 2HG1 VAL 87 12.662 -1.188 -5.204 740 3HG1 VAL 87 3HG1 VAL 87 13.475 0.373 -5.072 741 1HG2 VAL 87 1HG2 VAL 87 10.335 1.230 -3.510 742 2HG2 VAL 87 2HG2 VAL 87 11.354 1.389 -4.938 743 3HG2 VAL 87 3HG2 VAL 87 10.327 -0.032 -4.739 Start of MODEL 9 1 1H MET 1 1HT MET 1 12.280 -9.032 -9.029 2 2H MET 1 2HT MET 1 10.640 -8.768 -8.673 3 3H MET 1 3HT MET 1 11.832 -8.439 -7.506 4 HA MET 1 HA MET 1 12.766 -6.756 -9.111 5 1HB MET 1 2HB MET 1 10.013 -7.169 -10.326 6 2HB MET 1 3HB MET 1 11.179 -5.931 -10.798 7 1HG MET 1 2HG MET 1 12.692 -7.535 -11.676 8 2HG MET 1 3HG MET 1 11.868 -8.873 -10.875 9 1HE MET 1 1HE MET 1 12.549 -7.317 -14.072 10 2HE MET 1 2HE MET 1 11.588 -8.446 -15.026 11 3HE MET 1 3HE MET 1 12.680 -9.057 -13.786 12 H ARG 2 H ARG 2 11.270 -4.550 -9.333 13 HA ARG 2 HA ARG 2 10.335 -4.115 -6.587 14 1HB ARG 2 2HB ARG 2 10.586 -1.964 -8.673 15 2HB ARG 2 3HB ARG 2 10.747 -1.835 -6.923 16 1HG ARG 2 2HG ARG 2 12.694 -3.224 -8.793 17 2HG ARG 2 3HG ARG 2 12.956 -1.680 -7.984 18 1HD ARG 2 2HD ARG 2 12.460 -3.066 -5.801 19 2HD ARG 2 3HD ARG 2 12.886 -4.444 -6.811 20 HE ARG 2 HE ARG 2 14.784 -2.223 -6.803 21 1HH1 ARG 2 1HH1 ARG 2 14.517 -5.540 -6.837 22 2HH1 ARG 2 2HH1 ARG 2 15.796 -5.856 -5.714 23 1HH2 ARG 2 1HH2 ARG 2 16.164 -2.535 -4.790 24 2HH2 ARG 2 2HH2 ARG 2 16.729 -4.155 -4.555 25 H ILE 3 H ILE 3 8.518 -2.296 -6.581 26 HA ILE 3 HA ILE 3 6.422 -2.948 -8.554 27 HB ILE 3 HB ILE 3 5.827 -2.810 -5.594 28 1HG1 ILE 3 2HG1 ILE 3 7.381 -4.751 -6.220 29 2HG1 ILE 3 3HG1 ILE 3 5.856 -5.197 -5.464 30 1HG2 ILE 3 1HG2 ILE 3 3.809 -4.186 -6.527 31 2HG2 ILE 3 2HG2 ILE 3 3.845 -2.443 -6.792 32 3HG2 ILE 3 3HG2 ILE 3 4.308 -3.543 -8.092 33 1HD1 ILE 3 1HD1 ILE 3 4.906 -5.895 -7.525 34 2HD1 ILE 3 2HD1 ILE 3 6.154 -5.081 -8.468 35 3HD1 ILE 3 3HD1 ILE 3 6.550 -6.533 -7.551 36 H LYS 4 H LYS 4 4.513 -1.385 -8.256 37 HA LYS 4 HA LYS 4 5.253 1.183 -7.088 38 1HB LYS 4 2HB LYS 4 4.596 2.261 -9.373 39 2HB LYS 4 3HB LYS 4 6.234 1.649 -9.144 40 1HG LYS 4 2HG LYS 4 5.827 -0.282 -10.435 41 2HG LYS 4 3HG LYS 4 4.078 -0.130 -10.279 42 1HD LYS 4 2HD LYS 4 4.938 0.530 -12.546 43 2HD LYS 4 3HD LYS 4 4.058 1.820 -11.725 44 1HE LYS 4 2HE LYS 4 6.023 3.009 -11.219 45 2HE LYS 4 3HE LYS 4 7.051 1.592 -11.448 46 1HZ LYS 4 1HZ LYS 4 7.120 1.891 -13.656 47 2HZ LYS 4 2HZ LYS 4 6.703 3.495 -13.283 48 3HZ LYS 4 3HZ LYS 4 5.503 2.391 -13.760 49 H GLY 5 H GLY 5 3.531 1.373 -5.826 50 1HA GLY 5 1HA GLY 5 0.834 0.837 -6.848 51 2HA GLY 5 2HA GLY 5 1.271 1.130 -5.168 52 H VAL 6 H VAL 6 -0.794 2.559 -5.697 53 HA VAL 6 HA VAL 6 0.232 5.280 -6.045 54 HB VAL 6 HB VAL 6 -0.664 4.279 -8.261 55 1HG1 VAL 6 1HG1 VAL 6 -2.764 3.413 -7.050 56 2HG1 VAL 6 2HG1 VAL 6 -3.317 5.088 -7.077 57 3HG1 VAL 6 3HG1 VAL 6 -3.006 4.238 -8.589 58 1HG2 VAL 6 1HG2 VAL 6 -0.155 6.662 -7.913 59 2HG2 VAL 6 2HG2 VAL 6 -1.625 6.481 -8.871 60 3HG2 VAL 6 3HG2 VAL 6 -1.732 6.899 -7.161 61 H VAL 7 H VAL 7 -0.694 6.723 -4.748 62 HA VAL 7 HA VAL 7 -2.583 5.821 -2.759 63 HB VAL 7 HB VAL 7 -1.292 8.520 -3.245 64 1HG1 VAL 7 1HG1 VAL 7 -3.177 7.499 -1.130 65 2HG1 VAL 7 2HG1 VAL 7 -1.987 8.736 -0.730 66 3HG1 VAL 7 3HG1 VAL 7 -3.193 9.045 -1.978 67 1HG2 VAL 7 1HG2 VAL 7 -0.696 6.605 -0.996 68 2HG2 VAL 7 2HG2 VAL 7 0.088 6.404 -2.563 69 3HG2 VAL 7 3HG2 VAL 7 0.314 7.895 -1.649 70 H LEU 8 H LEU 8 -4.698 6.408 -2.528 71 HA LEU 8 HA LEU 8 -5.927 7.828 -4.808 72 1HB LEU 8 2HB LEU 8 -7.378 6.144 -2.765 73 2HB LEU 8 3HB LEU 8 -7.935 6.644 -4.361 74 HG LEU 8 HG LEU 8 -5.676 4.707 -3.767 75 1HD1 LEU 8 1HD1 LEU 8 -7.952 3.785 -3.482 76 2HD1 LEU 8 2HD1 LEU 8 -8.374 4.331 -5.105 77 3HD1 LEU 8 3HD1 LEU 8 -7.151 3.080 -4.884 78 1HD2 LEU 8 1HD2 LEU 8 -5.980 4.454 -6.392 79 2HD2 LEU 8 2HD2 LEU 8 -6.568 6.112 -6.266 80 3HD2 LEU 8 3HD2 LEU 8 -4.936 5.711 -5.733 81 H SER 9 H SER 9 -6.392 7.419 -1.291 82 HA SER 9 HA SER 9 -6.519 10.249 -0.820 83 1HB SER 9 2HB SER 9 -9.060 8.641 -0.956 84 2HB SER 9 3HB SER 9 -8.933 10.038 0.108 85 HG SER 9 HG SER 9 -8.269 11.235 -1.774 86 H TYR 10 H TYR 10 -6.268 10.713 1.354 87 HA TYR 10 HA TYR 10 -5.888 8.371 3.097 88 1HB TYR 10 2HB TYR 10 -4.265 9.553 4.227 89 2HB TYR 10 3HB TYR 10 -4.121 10.296 2.637 90 HD1 TYR 10 HD1 TYR 10 -4.540 10.929 6.085 91 HD2 TYR 10 HD2 TYR 10 -5.742 12.367 2.217 92 HE1 TYR 10 HE1 TYR 10 -5.086 13.134 7.075 93 HE2 TYR 10 HE2 TYR 10 -6.289 14.573 3.210 94 HH TYR 10 HH TYR 10 -5.292 15.814 5.598 95 H ARG 11 H ARG 11 -6.994 8.093 4.973 96 HA ARG 11 HA ARG 11 -9.374 9.746 5.349 97 1HB ARG 11 2HB ARG 11 -8.479 7.200 6.728 98 2HB ARG 11 3HB ARG 11 -10.035 7.994 6.962 99 1HG ARG 11 2HG ARG 11 -9.158 7.276 4.178 100 2HG ARG 11 3HG ARG 11 -9.822 6.023 5.225 101 1HD ARG 11 2HD ARG 11 -11.875 7.270 5.524 102 2HD ARG 11 3HD ARG 11 -11.211 8.659 4.670 103 HE ARG 11 HE ARG 11 -11.117 7.104 2.665 104 1HH1 ARG 11 1HH1 ARG 11 -13.664 7.363 4.934 105 2HH1 ARG 11 2HH1 ARG 11 -14.697 6.222 4.140 106 1HH2 ARG 11 1HH2 ARG 11 -12.331 5.314 1.776 107 2HH2 ARG 11 2HH2 ARG 11 -13.945 5.066 2.353 108 H ARG 12 H ARG 12 -9.309 11.452 6.657 109 HA ARG 12 HA ARG 12 -7.232 11.668 8.704 110 1HB ARG 12 2HB ARG 12 -8.273 13.988 8.990 111 2HB ARG 12 3HB ARG 12 -7.500 13.661 7.441 112 1HG ARG 12 2HG ARG 12 -9.562 13.397 6.326 113 2HG ARG 12 3HG ARG 12 -10.448 13.156 7.830 114 1HD ARG 12 2HD ARG 12 -9.091 15.751 7.056 115 2HD ARG 12 3HD ARG 12 -10.803 15.422 6.811 116 HE ARG 12 HE ARG 12 -10.081 14.955 9.528 117 1HH1 ARG 12 1HH2 ARG 12 -9.055 17.734 8.261 118 2HH1 ARG 12 2HH2 ARG 12 -10.238 18.786 8.963 119 1HH2 ARG 12 1HH1 ARG 12 -12.310 16.203 9.993 120 2HH2 ARG 12 2HH1 ARG 12 -12.084 17.918 9.944 121 H SER 13 H SER 13 -8.575 9.694 9.611 122 HA SER 13 HA SER 13 -10.988 10.261 11.021 123 1HB SER 13 2HB SER 13 -8.966 8.032 11.190 124 2HB SER 13 3HB SER 13 -10.383 8.096 12.234 125 HG SER 13 HG SER 13 -11.637 7.684 10.565 126 H LYS 14 H LYS 14 -11.324 10.544 13.241 127 HA LYS 14 HA LYS 14 -9.014 11.022 14.968 128 1HB LYS 14 2HB LYS 14 -9.619 13.193 13.763 129 2HB LYS 14 3HB LYS 14 -11.125 13.162 14.680 130 1HG LYS 14 2HG LYS 14 -9.792 13.030 16.790 131 2HG LYS 14 3HG LYS 14 -8.318 13.191 15.833 132 1HD LYS 14 2HD LYS 14 -9.072 15.374 14.998 133 2HD LYS 14 3HD LYS 14 -10.579 15.212 15.901 134 1HE LYS 14 2HE LYS 14 -9.443 15.319 18.002 135 2HE LYS 14 3HE LYS 14 -7.866 15.122 17.237 136 1HZ LYS 14 1HZ LYS 14 -9.685 17.435 16.835 137 2HZ LYS 14 2HZ LYS 14 -8.138 17.246 16.158 138 3HZ LYS 14 3HZ LYS 14 -8.318 17.433 17.838 139 H GLU 15 H GLU 15 -12.557 11.143 14.652 140 HA GLU 15 HA GLU 15 -13.222 10.980 17.365 141 1HB GLU 15 2HB GLU 15 -14.738 9.773 15.039 142 2HB GLU 15 3HB GLU 15 -15.398 10.166 16.626 143 1HG GLU 15 2HG GLU 15 -14.825 12.552 16.258 144 2HG GLU 15 3HG GLU 15 -14.226 12.148 14.652 145 H ASN 16 H ASN 16 -13.480 9.337 18.797 146 HA ASN 16 HA ASN 16 -13.298 7.264 19.756 147 1HB ASN 16 2HB ASN 16 -13.255 6.085 16.977 148 2HB ASN 16 3HB ASN 16 -13.740 5.304 18.478 149 1HD2 ASN 16 2HD2 ASN 16 -15.206 7.856 19.329 150 2HD2 ASN 16 1HD2 ASN 16 -16.641 7.833 18.423 151 H GLN 17 H GLN 17 -11.031 8.620 17.737 152 HA GLN 17 HA GLN 17 -8.749 8.463 17.615 153 1HB GLN 17 2HB GLN 17 -9.087 8.074 20.141 154 2HB GLN 17 3HB GLN 17 -8.824 6.368 19.781 155 1HG GLN 17 2HG GLN 17 -6.898 8.528 18.895 156 2HG GLN 17 3HG GLN 17 -6.747 7.704 20.444 157 1HE2 GLN 17 2HE2 GLN 17 -7.360 5.059 19.795 158 2HE2 GLN 17 1HE2 GLN 17 -6.249 4.471 18.656 159 H HIS 18 H HIS 18 -7.690 7.503 16.028 160 HA HIS 18 HA HIS 18 -7.332 4.680 15.825 161 1HB HIS 18 2HB HIS 18 -9.771 5.211 14.946 162 2HB HIS 18 3HB HIS 18 -8.907 5.756 13.508 163 HD1 HIS 18 HD1 HIS 18 -6.813 3.813 12.956 164 HD2 HIS 18 HD2 HIS 18 -10.432 2.558 14.601 165 HE1 HIS 18 HE1 HIS 18 -7.010 1.340 12.453 166 H ASN 19 H ASN 19 -6.708 7.851 15.131 167 HA ASN 19 HA ASN 19 -4.971 8.899 14.099 168 1HB ASN 19 2HB ASN 19 -3.753 6.734 14.863 169 2HB ASN 19 3HB ASN 19 -3.887 6.248 13.174 170 1HD2 ASN 19 2HD2 ASN 19 -3.033 9.320 14.890 171 2HD2 ASN 19 1HD2 ASN 19 -1.650 9.616 13.954 172 H ASN 20 H ASN 20 -4.130 9.375 11.907 173 HA ASN 20 HA ASN 20 -6.237 9.040 9.965 174 1HB ASN 20 2HB ASN 20 -4.528 10.349 8.509 175 2HB ASN 20 3HB ASN 20 -5.289 11.169 9.870 176 1HD2 ASN 20 2HD2 ASN 20 -2.751 8.739 10.386 177 2HD2 ASN 20 1HD2 ASN 20 -1.571 9.840 10.912 178 H VAL 21 H VAL 21 -6.356 7.588 8.385 179 HA VAL 21 HA VAL 21 -4.132 5.707 8.031 180 HB VAL 21 HB VAL 21 -6.792 5.462 6.653 181 1HG1 VAL 21 1HG1 VAL 21 -4.592 3.643 7.610 182 2HG1 VAL 21 2HG1 VAL 21 -6.214 3.003 7.358 183 3HG1 VAL 21 3HG1 VAL 21 -5.338 3.736 6.016 184 1HG2 VAL 21 1HG2 VAL 21 -6.181 5.044 9.581 185 2HG2 VAL 21 2HG2 VAL 21 -7.563 5.866 8.853 186 3HG2 VAL 21 3HG2 VAL 21 -7.437 4.108 8.773 187 H MET 22 H MET 22 -4.030 4.872 5.626 188 HA MET 22 HA MET 22 -4.213 7.085 3.706 189 1HB MET 22 2HB MET 22 -1.957 7.270 4.633 190 2HB MET 22 3HB MET 22 -1.664 5.563 4.317 191 1HG MET 22 2HG MET 22 -0.649 6.832 2.526 192 2HG MET 22 3HG MET 22 -2.069 6.019 1.871 193 1HE MET 22 1HE MET 22 -0.113 9.028 1.876 194 2HE MET 22 2HE MET 22 -0.739 9.319 3.497 195 3HE MET 22 3HE MET 22 -1.157 10.421 2.188 196 H ILE 23 H ILE 23 -5.238 6.312 1.987 197 HA ILE 23 HA ILE 23 -5.404 3.455 1.514 198 HB ILE 23 HB ILE 23 -6.526 5.719 -0.151 199 1HG1 ILE 23 2HG1 ILE 23 -7.197 5.577 2.372 200 2HG1 ILE 23 3HG1 ILE 23 -8.476 5.691 1.167 201 1HG2 ILE 23 1HG2 ILE 23 -7.047 2.745 0.012 202 2HG2 ILE 23 2HG2 ILE 23 -8.192 3.862 -0.727 203 3HG2 ILE 23 3HG2 ILE 23 -6.571 3.691 -1.398 204 1HD1 ILE 23 1HD1 ILE 23 -8.973 3.368 1.321 205 2HD1 ILE 23 2HD1 ILE 23 -7.472 3.026 2.184 206 3HD1 ILE 23 3HD1 ILE 23 -8.772 3.906 2.988 207 H ILE 24 H ILE 24 -4.328 2.320 0.034 208 HA ILE 24 HA ILE 24 -2.855 3.706 -2.103 209 HB ILE 24 HB ILE 24 -1.702 1.956 0.049 210 1HG1 ILE 24 2HG1 ILE 24 -0.549 4.313 -1.469 211 2HG1 ILE 24 3HG1 ILE 24 -1.500 4.482 0.007 212 1HG2 ILE 24 1HG2 ILE 24 0.290 1.593 -1.450 213 2HG2 ILE 24 2HG2 ILE 24 -1.148 0.710 -1.957 214 3HG2 ILE 24 3HG2 ILE 24 -0.678 2.187 -2.798 215 1HD1 ILE 24 1HD1 ILE 24 1.132 3.010 -0.305 216 2HD1 ILE 24 2HD1 ILE 24 0.838 4.478 0.628 217 3HD1 ILE 24 3HD1 ILE 24 0.137 2.948 1.150 218 H LYS 25 H LYS 25 -2.306 2.290 -3.887 219 HA LYS 25 HA LYS 25 -3.675 -0.316 -3.893 220 1HB LYS 25 2HB LYS 25 -5.225 1.416 -4.833 221 2HB LYS 25 3HB LYS 25 -4.026 1.744 -6.083 222 1HG LYS 25 2HG LYS 25 -4.159 -0.922 -6.360 223 2HG LYS 25 3HG LYS 25 -5.777 -0.646 -5.714 224 1HD LYS 25 2HD LYS 25 -4.673 0.963 -8.025 225 2HD LYS 25 3HD LYS 25 -5.538 -0.555 -8.265 226 1HE LYS 25 2HE LYS 25 -6.719 1.679 -6.614 227 2HE LYS 25 3HE LYS 25 -6.924 1.621 -8.363 228 1HZ LYS 25 1HZ LYS 25 -8.292 -0.145 -8.238 229 2HZ LYS 25 2HZ LYS 25 -8.571 0.427 -6.665 230 3HZ LYS 25 3HZ LYS 25 -7.477 -0.844 -6.927 231 HA PRO 26 HA PRO 26 0.318 -1.106 -5.765 232 1HB PRO 26 2HB PRO 26 -0.416 -3.871 -6.111 233 2HB PRO 26 3HB PRO 26 0.684 -3.170 -4.918 234 1HG PRO 26 2HG PRO 26 -1.837 -4.277 -4.434 235 2HG PRO 26 3HG PRO 26 -0.844 -3.351 -3.301 236 1HD PRO 26 2HD PRO 26 -3.271 -2.525 -4.743 237 2HD PRO 26 3HD PRO 26 -2.494 -1.788 -3.327 238 H LEU 27 H LEU 27 -1.154 0.175 -7.453 239 HA LEU 27 HA LEU 27 -1.779 0.523 -9.593 240 1HB LEU 27 2HB LEU 27 0.667 -0.488 -9.645 241 2HB LEU 27 3HB LEU 27 -0.157 -1.781 -10.495 242 HG LEU 27 HG LEU 27 -1.246 0.155 -11.879 243 1HD1 LEU 27 1HD1 LEU 27 -0.192 2.231 -11.865 244 2HD1 LEU 27 2HD1 LEU 27 -0.054 1.790 -10.165 245 3HD1 LEU 27 3HD1 LEU 27 1.322 1.577 -11.244 246 1HD2 LEU 27 1HD2 LEU 27 0.260 -1.437 -12.898 247 2HD2 LEU 27 2HD2 LEU 27 0.777 0.176 -13.390 248 3HD2 LEU 27 3HD2 LEU 27 1.656 -0.684 -12.127 249 H ASP 28 H ASP 28 -1.342 -2.995 -9.939 250 HA ASP 28 HA ASP 28 -4.149 -3.108 -10.816 251 1HB ASP 28 2HB ASP 28 -3.523 -5.349 -11.768 252 2HB ASP 28 3HB ASP 28 -2.712 -3.966 -12.507 253 H VAL 29 H VAL 29 -2.354 -5.924 -9.670 254 HA VAL 29 HA VAL 29 -3.060 -7.551 -8.189 255 HB VAL 29 HB VAL 29 -3.252 -5.015 -6.534 256 1HG1 VAL 29 1HG1 VAL 29 -4.434 -6.329 -5.081 257 2HG1 VAL 29 2HG1 VAL 29 -3.947 -7.823 -5.884 258 3HG1 VAL 29 3HG1 VAL 29 -2.859 -7.041 -4.737 259 1HG2 VAL 29 1HG2 VAL 29 -1.097 -5.862 -5.634 260 2HG2 VAL 29 2HG2 VAL 29 -1.192 -7.241 -6.730 261 3HG2 VAL 29 3HG2 VAL 29 -1.011 -5.609 -7.375 262 H ASN 30 H ASN 30 -4.887 -7.277 -9.932 263 HA ASN 30 HA ASN 30 -7.446 -6.493 -8.810 264 1HB ASN 30 2HB ASN 30 -8.237 -7.233 -11.124 265 2HB ASN 30 3HB ASN 30 -7.135 -5.864 -11.073 266 1HD2 ASN 30 2HD2 ASN 30 -5.227 -6.048 -12.274 267 2HD2 ASN 30 1HD2 ASN 30 -4.673 -7.492 -12.974 268 H SER 31 H SER 31 -6.495 -8.468 -7.272 269 HA SER 31 HA SER 31 -8.456 -10.558 -7.634 270 1HB SER 31 2HB SER 31 -5.514 -11.098 -7.957 271 2HB SER 31 3HB SER 31 -6.602 -12.341 -7.346 272 HG SER 31 HG SER 31 -7.810 -11.319 -9.412 273 H ARG 32 H ARG 32 -9.342 -10.427 -5.679 274 HA ARG 32 HA ARG 32 -8.248 -9.505 -3.329 275 1HB ARG 32 2HB ARG 32 -10.609 -9.918 -3.463 276 2HB ARG 32 3HB ARG 32 -10.353 -11.635 -3.760 277 1HG ARG 32 2HG ARG 32 -9.497 -11.971 -1.532 278 2HG ARG 32 3HG ARG 32 -9.454 -10.235 -1.228 279 1HD ARG 32 2HD ARG 32 -11.991 -10.275 -1.672 280 2HD ARG 32 3HD ARG 32 -11.871 -12.024 -1.513 281 HE ARG 32 HE ARG 32 -11.741 -11.715 0.770 282 1HH1 ARG 32 1HH2 ARG 32 -10.993 -8.757 -0.870 283 2HH1 ARG 32 2HH2 ARG 32 -10.639 -7.883 0.583 284 1HH2 ARG 32 1HH1 ARG 32 -11.154 -10.604 2.666 285 2HH2 ARG 32 2HH1 ARG 32 -10.734 -8.927 2.582 286 H GLU 33 H GLU 33 -7.896 -12.658 -4.816 287 HA GLU 33 HA GLU 33 -6.815 -14.068 -2.618 288 1HB GLU 33 2HB GLU 33 -6.481 -14.382 -5.607 289 2HB GLU 33 3HB GLU 33 -5.775 -15.499 -4.444 290 1HG GLU 33 2HG GLU 33 -8.724 -14.814 -4.501 291 2HG GLU 33 3HG GLU 33 -8.040 -16.187 -5.364 292 H GLU 34 H GLU 34 -5.189 -12.471 -5.362 293 HA GLU 34 HA GLU 34 -2.561 -12.756 -4.333 294 1HB GLU 34 2HB GLU 34 -3.850 -11.119 -6.485 295 2HB GLU 34 3HB GLU 34 -2.209 -10.717 -5.981 296 1HG GLU 34 2HG GLU 34 -2.829 -13.591 -6.498 297 2HG GLU 34 3HG GLU 34 -2.695 -12.526 -7.894 298 H ALA 35 H ALA 35 -4.995 -10.206 -4.122 299 HA ALA 35 HA ALA 35 -3.434 -8.212 -2.912 300 1HB ALA 35 1HB ALA 35 -5.866 -8.130 -3.834 301 2HB ALA 35 2HB ALA 35 -6.326 -8.634 -2.208 302 3HB ALA 35 3HB ALA 35 -5.450 -7.122 -2.449 303 H SER 36 H SER 36 -5.693 -10.489 -1.318 304 HA SER 36 HA SER 36 -5.007 -9.920 1.321 305 1HB SER 36 2HB SER 36 -6.131 -12.329 -0.054 306 2HB SER 36 3HB SER 36 -5.649 -12.456 1.633 307 HG SER 36 HG SER 36 -7.634 -10.874 0.432 308 H LYS 37 H LYS 37 -3.222 -11.609 -1.105 309 HA LYS 37 HA LYS 37 -1.555 -13.170 0.598 310 1HB LYS 37 2HB LYS 37 -1.958 -13.243 -2.024 311 2HB LYS 37 3HB LYS 37 -0.551 -12.179 -2.037 312 1HG LYS 37 2HG LYS 37 0.715 -13.832 -0.708 313 2HG LYS 37 3HG LYS 37 -0.690 -14.899 -0.702 314 1HD LYS 37 2HD LYS 37 -0.542 -14.600 -3.327 315 2HD LYS 37 3HD LYS 37 1.135 -14.183 -2.973 316 1HE LYS 37 2HE LYS 37 1.225 -16.513 -3.289 317 2HE LYS 37 3HE LYS 37 1.137 -16.354 -1.535 318 1HZ LYS 37 1HZ LYS 37 -0.782 -17.451 -3.381 319 2HZ LYS 37 2HZ LYS 37 -1.459 -16.375 -2.255 320 3HZ LYS 37 3HZ LYS 37 -0.590 -17.733 -1.720 321 H LEU 38 H LEU 38 -0.722 -10.240 -1.287 322 HA LEU 38 HA LEU 38 1.601 -9.782 0.370 323 1HB LEU 38 2HB LEU 38 2.303 -8.343 -1.263 324 2HB LEU 38 3HB LEU 38 1.155 -9.274 -2.214 325 HG LEU 38 HG LEU 38 0.674 -6.567 -0.924 326 1HD1 LEU 38 1HD1 LEU 38 0.577 -7.429 -3.825 327 2HD1 LEU 38 2HD1 LEU 38 0.458 -5.784 -3.199 328 3HD1 LEU 38 3HD1 LEU 38 1.980 -6.669 -3.073 329 1HD2 LEU 38 1HD2 LEU 38 -1.504 -6.972 -2.462 330 2HD2 LEU 38 2HD2 LEU 38 -1.188 -8.639 -1.984 331 3HD2 LEU 38 3HD2 LEU 38 -1.463 -7.405 -0.755 332 H ILE 39 H ILE 39 -1.307 -9.547 1.351 333 HA ILE 39 HA ILE 39 -2.011 -6.959 2.023 334 HB ILE 39 HB ILE 39 -3.387 -8.953 2.510 335 1HG1 ILE 39 2HG1 ILE 39 -2.786 -7.455 5.076 336 2HG1 ILE 39 3HG1 ILE 39 -3.650 -6.717 3.726 337 1HG2 ILE 39 1HG2 ILE 39 -1.553 -9.394 4.881 338 2HG2 ILE 39 2HG2 ILE 39 -2.881 -10.418 4.340 339 3HG2 ILE 39 3HG2 ILE 39 -1.409 -10.306 3.378 340 1HD1 ILE 39 1HD1 ILE 39 -4.484 -9.156 5.320 341 2HD1 ILE 39 2HD1 ILE 39 -5.302 -7.596 5.249 342 3HD1 ILE 39 3HD1 ILE 39 -5.280 -8.646 3.832 343 H GLY 40 H GLY 40 0.497 -8.984 3.439 344 1HA GLY 40 1HA GLY 40 1.081 -6.912 5.455 345 2HA GLY 40 2HA GLY 40 1.656 -8.573 5.499 346 H ARG 41 H ARG 41 1.778 -6.819 2.502 347 HA ARG 41 HA ARG 41 4.613 -7.158 2.296 348 1HB ARG 41 2HB ARG 41 2.892 -7.089 0.388 349 2HB ARG 41 3HB ARG 41 2.952 -5.336 0.558 350 1HG ARG 41 2HG ARG 41 4.643 -5.581 -0.981 351 2HG ARG 41 3HG ARG 41 5.593 -5.821 0.484 352 1HD ARG 41 2HD ARG 41 6.223 -7.756 -0.538 353 2HD ARG 41 3HD ARG 41 4.682 -8.354 0.070 354 HE ARG 41 HE ARG 41 3.994 -7.275 -2.322 355 1HH1 ARG 41 1HH1 ARG 41 5.339 -10.142 -1.229 356 2HH1 ARG 41 2HH1 ARG 41 5.914 -10.683 -2.769 357 1HH2 ARG 41 1HH2 ARG 41 5.249 -7.687 -4.375 358 2HH2 ARG 41 2HH2 ARG 41 5.864 -9.297 -4.546 359 H LEU 42 H LEU 42 6.235 -5.623 2.345 360 HA LEU 42 HA LEU 42 5.635 -3.223 3.926 361 1HB LEU 42 2HB LEU 42 7.466 -4.867 4.569 362 2HB LEU 42 3HB LEU 42 8.349 -4.303 3.152 363 HG LEU 42 HG LEU 42 7.856 -1.912 4.172 364 1HD1 LEU 42 1HD1 LEU 42 6.417 -2.847 5.996 365 2HD1 LEU 42 2HD1 LEU 42 7.831 -3.680 6.640 366 3HD1 LEU 42 3HD1 LEU 42 7.782 -1.917 6.611 367 1HD2 LEU 42 1HD2 LEU 42 10.089 -3.029 3.847 368 2HD2 LEU 42 2HD2 LEU 42 10.019 -1.993 5.274 369 3HD2 LEU 42 3HD2 LEU 42 9.910 -3.745 5.450 370 H VAL 43 H VAL 43 5.406 -1.332 2.934 371 HA VAL 43 HA VAL 43 6.226 -1.003 0.149 372 HB VAL 43 HB VAL 43 4.946 1.037 0.205 373 1HG1 VAL 43 1HG1 VAL 43 3.664 -1.070 0.064 374 2HG1 VAL 43 2HG1 VAL 43 3.556 -1.123 1.824 375 3HG1 VAL 43 3HG1 VAL 43 2.751 0.167 0.930 376 1HG2 VAL 43 1HG2 VAL 43 3.796 1.576 2.492 377 2HG2 VAL 43 2HG2 VAL 43 5.121 0.645 3.189 378 3HG2 VAL 43 3HG2 VAL 43 5.464 2.094 2.243 379 H LEU 44 H LEU 44 8.092 -0.183 -0.423 380 HA LEU 44 HA LEU 44 9.614 1.428 1.522 381 1HB LEU 44 2HB LEU 44 10.388 -0.818 0.045 382 2HB LEU 44 3HB LEU 44 11.126 0.544 -0.800 383 HG LEU 44 HG LEU 44 11.809 1.339 1.600 384 1HD1 LEU 44 1HD1 LEU 44 10.408 -0.390 2.741 385 2HD1 LEU 44 2HD1 LEU 44 11.449 -1.639 2.061 386 3HD1 LEU 44 3HD1 LEU 44 12.106 -0.470 3.207 387 1HD2 LEU 44 1HD2 LEU 44 13.327 0.467 -0.236 388 2HD2 LEU 44 2HD2 LEU 44 13.907 0.160 1.402 389 3HD2 LEU 44 3HD2 LEU 44 13.154 -1.138 0.476 390 H TRP 45 H TRP 45 8.899 3.391 1.163 391 HA TRP 45 HA TRP 45 8.491 4.533 -1.477 392 1HB TRP 45 2HB TRP 45 7.031 4.914 0.564 393 2HB TRP 45 3HB TRP 45 8.355 5.832 1.258 394 HD1 TRP 45 HD1 TRP 45 6.046 5.893 -1.846 395 HE1 TRP 45 HE1 TRP 45 5.683 8.365 -2.524 396 HE3 TRP 45 HE3 TRP 45 9.191 8.177 1.468 397 HZ2 TRP 45 HZ2 TRP 45 6.630 10.953 -1.760 398 HZ3 TRP 45 HZ3 TRP 45 9.438 10.643 1.473 399 HH2 TRP 45 HH2 TRP 45 8.164 12.033 -0.136 400 H LYS 46 H LYS 46 10.216 5.220 -2.584 401 HA LYS 46 HA LYS 46 12.674 6.022 -1.267 402 1HB LYS 46 2HB LYS 46 12.459 4.677 -3.446 403 2HB LYS 46 3HB LYS 46 12.077 6.213 -4.217 404 1HG LYS 46 2HG LYS 46 14.228 7.133 -3.254 405 2HG LYS 46 3HG LYS 46 14.619 5.493 -2.732 406 1HD LYS 46 2HD LYS 46 14.374 4.728 -5.106 407 2HD LYS 46 3HD LYS 46 14.139 6.409 -5.584 408 1HE LYS 46 2HE LYS 46 16.354 6.998 -4.732 409 2HE LYS 46 3HE LYS 46 16.591 5.352 -4.144 410 1HZ LYS 46 1HZ LYS 46 17.419 6.185 -6.522 411 2HZ LYS 46 2HZ LYS 46 15.875 5.620 -6.948 412 3HZ LYS 46 3HZ LYS 46 16.989 4.575 -6.203 413 H SER 47 H SER 47 12.242 7.941 -0.184 414 HA SER 47 HA SER 47 10.869 10.154 -1.285 415 1HB SER 47 2HB SER 47 11.412 11.267 0.663 416 2HB SER 47 3HB SER 47 11.614 9.602 1.189 417 HG SER 47 HG SER 47 13.889 9.983 0.360 418 HA PRO 48 HA PRO 48 13.932 12.150 -3.751 419 1HB PRO 48 2HB PRO 48 13.381 14.824 -2.831 420 2HB PRO 48 3HB PRO 48 12.774 14.021 -4.287 421 1HG PRO 48 2HG PRO 48 11.250 14.742 -2.105 422 2HG PRO 48 3HG PRO 48 10.794 13.546 -3.327 423 1HD PRO 48 2HD PRO 48 11.849 13.109 -0.565 424 2HD PRO 48 3HD PRO 48 10.709 12.124 -1.512 425 H SER 49 H SER 49 13.889 13.232 -0.375 426 HA SER 49 HA SER 49 16.483 14.447 -0.430 427 1HB SER 49 2HB SER 49 14.592 13.623 1.759 428 2HB SER 49 3HB SER 49 16.214 14.199 2.131 429 HG SER 49 HG SER 49 14.057 15.534 0.916 430 H GLY 50 H GLY 50 15.735 11.335 -0.903 431 1HA GLY 50 1HA GLY 50 17.238 9.549 -1.055 432 2HA GLY 50 2HA GLY 50 18.352 10.419 -0.005 433 H LYS 51 H LYS 51 15.638 10.797 1.642 434 HA LYS 51 HA LYS 51 16.237 8.674 3.501 435 1HB LYS 51 2HB LYS 51 15.521 10.964 4.219 436 2HB LYS 51 3HB LYS 51 13.924 10.631 3.553 437 1HG LYS 51 2HG LYS 51 13.728 8.665 5.059 438 2HG LYS 51 3HG LYS 51 15.301 9.058 5.752 439 1HD LYS 51 2HD LYS 51 13.138 11.148 5.693 440 2HD LYS 51 3HD LYS 51 13.123 9.908 6.946 441 1HE LYS 51 2HE LYS 51 15.482 10.526 7.521 442 2HE LYS 51 3HE LYS 51 15.381 11.843 6.352 443 1HZ LYS 51 1HZ LYS 51 13.129 12.049 7.938 444 2HZ LYS 51 2HZ LYS 51 14.490 13.066 7.950 445 3HZ LYS 51 3HZ LYS 51 14.406 11.741 9.010 446 H ILE 52 H ILE 52 15.695 6.666 2.734 447 HA ILE 52 HA ILE 52 13.183 6.210 1.364 448 HB ILE 52 HB ILE 52 15.522 4.514 2.177 449 1HG1 ILE 52 2HG1 ILE 52 15.604 4.013 -0.160 450 2HG1 ILE 52 3HG1 ILE 52 13.961 4.594 -0.417 451 1HG2 ILE 52 1HG2 ILE 52 13.812 3.044 2.900 452 2HG2 ILE 52 2HG2 ILE 52 12.718 3.543 1.611 453 3HG2 ILE 52 3HG2 ILE 52 14.123 2.545 1.239 454 1HD1 ILE 52 1HD1 ILE 52 14.599 6.856 -0.197 455 2HD1 ILE 52 2HD1 ILE 52 16.112 6.439 0.606 456 3HD1 ILE 52 3HD1 ILE 52 15.920 6.143 -1.120 457 H LEU 53 H LEU 53 11.382 6.375 2.534 458 HA LEU 53 HA LEU 53 11.367 5.592 5.344 459 1HB LEU 53 2HB LEU 53 9.254 6.863 3.596 460 2HB LEU 53 3HB LEU 53 9.070 6.534 5.321 461 HG LEU 53 HG LEU 53 11.478 8.056 4.383 462 1HD1 LEU 53 1HD1 LEU 53 9.836 9.335 3.290 463 2HD1 LEU 53 2HD1 LEU 53 8.652 9.071 4.571 464 3HD1 LEU 53 3HD1 LEU 53 10.028 10.140 4.846 465 1HD2 LEU 53 1HD2 LEU 53 10.835 9.219 6.646 466 2HD2 LEU 53 2HD2 LEU 53 9.826 7.793 6.886 467 3HD2 LEU 53 3HD2 LEU 53 11.568 7.615 6.685 468 H LYS 54 H LYS 54 10.691 3.748 6.057 469 HA LYS 54 HA LYS 54 9.515 1.799 4.238 470 1HB LYS 54 2HB LYS 54 10.228 1.290 7.114 471 2HB LYS 54 3HB LYS 54 10.224 0.172 5.756 472 1HG LYS 54 2HG LYS 54 12.075 1.666 4.751 473 2HG LYS 54 3HG LYS 54 12.215 2.353 6.369 474 1HD LYS 54 2HD LYS 54 12.459 -0.050 7.216 475 2HD LYS 54 3HD LYS 54 12.666 -0.516 5.527 476 1HE LYS 54 2HE LYS 54 14.371 1.490 7.038 477 2HE LYS 54 3HE LYS 54 14.856 -0.142 6.584 478 1HZ LYS 54 1HZ LYS 54 14.359 0.554 4.229 479 2HZ LYS 54 2HZ LYS 54 15.723 1.272 4.944 480 3HZ LYS 54 3HZ LYS 54 14.275 2.147 4.801 481 H GLY 55 H GLY 55 7.361 1.855 4.043 482 1HA GLY 55 1HA GLY 55 5.682 2.560 6.353 483 2HA GLY 55 2HA GLY 55 5.145 2.442 4.678 484 H LYS 56 H LYS 56 3.492 1.171 6.262 485 HA LYS 56 HA LYS 56 3.991 -1.635 5.669 486 1HB LYS 56 2HB LYS 56 4.931 -1.086 8.006 487 2HB LYS 56 3HB LYS 56 3.243 -0.930 8.498 488 1HG LYS 56 2HG LYS 56 2.943 -3.252 7.338 489 2HG LYS 56 3HG LYS 56 4.696 -3.368 7.491 490 1HD LYS 56 2HD LYS 56 4.549 -3.045 9.906 491 2HD LYS 56 3HD LYS 56 2.806 -2.802 9.794 492 1HE LYS 56 2HE LYS 56 2.400 -5.056 9.245 493 2HE LYS 56 3HE LYS 56 4.072 -5.335 8.758 494 1HZ LYS 56 1HZ LYS 56 4.352 -4.573 11.317 495 2HZ LYS 56 2HZ LYS 56 4.273 -6.190 10.798 496 3HZ LYS 56 3HZ LYS 56 2.881 -5.411 11.387 497 H ILE 57 H ILE 57 2.194 -2.628 5.064 498 HA ILE 57 HA ILE 57 -0.318 -1.219 5.008 499 HB ILE 57 HB ILE 57 0.449 -4.042 4.206 500 1HG1 ILE 57 2HG1 ILE 57 -0.211 -1.643 2.475 501 2HG1 ILE 57 3HG1 ILE 57 1.438 -2.058 2.946 502 1HG2 ILE 57 1HG2 ILE 57 -2.137 -2.496 3.884 503 2HG2 ILE 57 2HG2 ILE 57 -1.742 -3.924 2.929 504 3HG2 ILE 57 3HG2 ILE 57 -1.909 -4.052 4.680 505 1HD1 ILE 57 1HD1 ILE 57 0.546 -4.475 2.042 506 2HD1 ILE 57 2HD1 ILE 57 -0.354 -3.376 0.996 507 3HD1 ILE 57 3HD1 ILE 57 1.408 -3.307 1.039 508 H VAL 58 H VAL 58 -2.168 -1.647 6.202 509 HA VAL 58 HA VAL 58 -1.748 -3.343 8.581 510 HB VAL 58 HB VAL 58 -4.036 -1.945 9.116 511 1HG1 VAL 58 1HG1 VAL 58 -1.168 -1.079 9.593 512 2HG1 VAL 58 2HG1 VAL 58 -2.568 -0.504 10.497 513 3HG1 VAL 58 3HG1 VAL 58 -2.091 -2.199 10.596 514 1HG2 VAL 58 1HG2 VAL 58 -2.202 -0.036 7.633 515 2HG2 VAL 58 2HG2 VAL 58 -3.699 -0.673 6.953 516 3HG2 VAL 58 3HG2 VAL 58 -3.747 0.346 8.393 517 H ARG 59 H ARG 59 -3.932 -2.779 5.856 518 HA ARG 59 HA ARG 59 -4.906 -5.469 6.024 519 1HB ARG 59 2HB ARG 59 -7.375 -4.597 6.166 520 2HB ARG 59 3HB ARG 59 -6.451 -4.885 7.635 521 1HG ARG 59 2HG ARG 59 -5.859 -2.488 7.738 522 2HG ARG 59 3HG ARG 59 -6.776 -2.200 6.259 523 1HD ARG 59 2HD ARG 59 -8.073 -1.637 8.314 524 2HD ARG 59 3HD ARG 59 -8.839 -2.897 7.351 525 HE ARG 59 HE ARG 59 -7.864 -4.517 8.981 526 1HH1 ARG 59 1HH2 ARG 59 -6.097 -2.782 10.580 527 2HH1 ARG 59 2HH2 ARG 59 -7.073 -2.364 11.947 528 1HH2 ARG 59 1HH1 ARG 59 -10.056 -3.282 10.433 529 2HH2 ARG 59 2HH1 ARG 59 -9.316 -2.647 11.863 530 H VAL 60 H VAL 60 -6.285 -6.063 4.281 531 HA VAL 60 HA VAL 60 -5.916 -4.341 1.922 532 HB VAL 60 HB VAL 60 -5.110 -6.684 1.778 533 1HG1 VAL 60 1HG1 VAL 60 -8.001 -7.541 1.808 534 2HG1 VAL 60 2HG1 VAL 60 -6.555 -8.534 1.977 535 3HG1 VAL 60 3HG1 VAL 60 -7.064 -7.486 3.300 536 1HG2 VAL 60 1HG2 VAL 60 -6.322 -7.236 -0.344 537 2HG2 VAL 60 2HG2 VAL 60 -7.501 -5.982 0.037 538 3HG2 VAL 60 3HG2 VAL 60 -5.820 -5.549 -0.272 539 H HIS 61 H HIS 61 -7.582 -3.568 0.735 540 HA HIS 61 HA HIS 61 -10.326 -4.389 1.396 541 1HB HIS 61 2HB HIS 61 -9.843 -2.440 2.824 542 2HB HIS 61 3HB HIS 61 -9.378 -1.510 1.401 543 HD1 HIS 61 HD1 HIS 61 -11.260 -0.688 -0.162 544 HD2 HIS 61 HD2 HIS 61 -12.663 -2.915 3.072 545 HE1 HIS 61 HE1 HIS 61 -13.772 -0.373 -0.111 546 H GLY 62 H GLY 62 -11.899 -3.369 -0.181 547 1HA GLY 62 1HA GLY 62 -12.465 -2.539 -2.302 548 2HA GLY 62 2HA GLY 62 -10.768 -2.584 -2.752 549 H THR 63 H THR 63 -10.373 -5.350 -1.920 550 HA THR 63 HA THR 63 -10.509 -7.483 -2.739 551 HB THR 63 HB THR 63 -12.571 -8.393 -3.361 552 HG1 THR 63 HG1 THR 63 -13.893 -6.045 -3.901 553 1HG2 THR 63 1HG2 THR 63 -12.463 -6.996 -1.115 554 2HG2 THR 63 2HG2 THR 63 -13.677 -6.010 -1.932 555 3HG2 THR 63 3HG2 THR 63 -13.977 -7.725 -1.652 556 H LYS 64 H LYS 64 -11.327 -4.860 -4.947 557 HA LYS 64 HA LYS 64 -10.388 -6.378 -7.266 558 1HB LYS 64 2HB LYS 64 -11.024 -4.398 -8.554 559 2HB LYS 64 3HB LYS 64 -12.351 -4.873 -7.495 560 1HG LYS 64 2HG LYS 64 -11.469 -3.186 -5.810 561 2HG LYS 64 3HG LYS 64 -10.380 -2.612 -7.072 562 1HD LYS 64 2HD LYS 64 -13.388 -2.773 -7.402 563 2HD LYS 64 3HD LYS 64 -12.538 -1.313 -6.897 564 1HE LYS 64 2HE LYS 64 -12.534 -0.917 -9.161 565 2HE LYS 64 3HE LYS 64 -11.079 -1.911 -9.083 566 1HZ LYS 64 1HZ LYS 64 -13.809 -2.709 -9.884 567 2HZ LYS 64 2HZ LYS 64 -12.652 -3.861 -9.410 568 3HZ LYS 64 3HZ LYS 64 -12.363 -2.866 -10.758 569 H GLY 65 H GLY 65 -9.153 -4.618 -4.774 570 1HA GLY 65 1HA GLY 65 -6.639 -4.686 -4.779 571 2HA GLY 65 2HA GLY 65 -6.762 -3.720 -6.248 572 H ALA 66 H ALA 66 -6.215 -3.553 -3.064 573 HA ALA 66 HA ALA 66 -6.037 -0.814 -2.826 574 1HB ALA 66 1HB ALA 66 -8.775 -1.623 -2.667 575 2HB ALA 66 2HB ALA 66 -8.264 -1.111 -1.061 576 3HB ALA 66 3HB ALA 66 -8.097 -0.015 -2.430 577 H VAL 67 H VAL 67 -5.269 -0.216 -0.729 578 HA VAL 67 HA VAL 67 -5.316 -2.191 1.396 579 HB VAL 67 HB VAL 67 -2.806 -2.240 1.575 580 1HG1 VAL 67 1HG1 VAL 67 -4.246 -4.059 0.511 581 2HG1 VAL 67 2HG1 VAL 67 -3.777 -3.386 -1.049 582 3HG1 VAL 67 3HG1 VAL 67 -2.549 -4.040 0.031 583 1HG2 VAL 67 1HG2 VAL 67 -1.510 -1.686 -0.451 584 2HG2 VAL 67 2HG2 VAL 67 -2.981 -1.123 -1.243 585 3HG2 VAL 67 3HG2 VAL 67 -2.349 -0.262 0.160 586 H ARG 68 H ARG 68 -4.983 -1.298 3.373 587 HA ARG 68 HA ARG 68 -4.817 1.616 3.485 588 1HB ARG 68 2HB ARG 68 -5.821 -0.546 5.230 589 2HB ARG 68 3HB ARG 68 -5.038 0.785 6.081 590 1HG ARG 68 2HG ARG 68 -7.362 1.360 5.890 591 2HG ARG 68 3HG ARG 68 -6.490 2.368 4.735 592 1HD ARG 68 2HD ARG 68 -8.431 1.489 3.610 593 2HD ARG 68 3HD ARG 68 -7.018 0.663 2.960 594 HE ARG 68 HE ARG 68 -7.751 -1.318 3.987 595 1HH1 ARG 68 1HH1 ARG 68 -10.499 -0.353 3.240 596 2HH1 ARG 68 2HH1 ARG 68 -11.366 -0.511 4.731 597 1HH2 ARG 68 1HH2 ARG 68 -8.502 -0.745 6.673 598 2HH2 ARG 68 2HH2 ARG 68 -10.232 -0.734 6.677 599 H ALA 69 H ALA 69 -3.249 2.722 4.742 600 HA ALA 69 HA ALA 69 -0.977 1.166 5.743 601 1HB ALA 69 1HB ALA 69 -0.080 1.483 3.628 602 2HB ALA 69 2HB ALA 69 -0.896 3.029 3.396 603 3HB ALA 69 3HB ALA 69 0.505 2.922 4.463 604 H ARG 70 H ARG 70 0.585 2.516 6.904 605 HA ARG 70 HA ARG 70 -0.400 5.113 7.837 606 1HB ARG 70 2HB ARG 70 0.273 2.875 9.764 607 2HB ARG 70 3HB ARG 70 -0.288 4.495 10.174 608 1HG ARG 70 2HG ARG 70 -2.388 3.983 8.832 609 2HG ARG 70 3HG ARG 70 -1.838 2.307 8.773 610 1HD ARG 70 2HD ARG 70 -1.687 2.359 11.291 611 2HD ARG 70 3HD ARG 70 -2.466 3.937 11.246 612 HE ARG 70 HE ARG 70 -4.297 2.607 9.949 613 1HH1 ARG 70 1HH2 ARG 70 -2.763 2.006 12.950 614 2HH1 ARG 70 2HH2 ARG 70 -3.733 0.628 13.346 615 1HH2 ARG 70 1HH1 ARG 70 -5.375 0.565 10.297 616 2HH2 ARG 70 2HH1 ARG 70 -5.207 -0.185 11.849 617 H PHE 71 H PHE 71 1.268 6.464 7.774 618 HA PHE 71 HA PHE 71 4.005 5.405 7.874 619 1HB PHE 71 2HB PHE 71 2.844 8.004 6.901 620 2HB PHE 71 3HB PHE 71 4.579 7.769 7.119 621 HD1 PHE 71 HD1 PHE 71 5.868 6.499 5.564 622 HD2 PHE 71 HD2 PHE 71 1.578 6.471 5.328 623 HE1 PHE 71 HE1 PHE 71 5.995 5.326 3.383 624 HE2 PHE 71 HE2 PHE 71 1.708 5.302 3.146 625 HZ PHE 71 HZ PHE 71 3.915 4.728 2.173 626 H GLU 72 H GLU 72 5.465 5.909 9.360 627 HA GLU 72 HA GLU 72 4.537 6.971 11.866 628 1HB GLU 72 2HB GLU 72 6.959 6.674 12.534 629 2HB GLU 72 3HB GLU 72 6.165 5.208 11.960 630 1HG GLU 72 2HG GLU 72 7.127 5.660 9.678 631 2HG GLU 72 3HG GLU 72 8.038 6.994 10.381 632 H LYS 73 H LYS 73 4.274 8.734 9.680 633 HA LYS 73 HA LYS 73 4.321 11.093 9.643 634 1HB LYS 73 2HB LYS 73 5.547 10.898 11.910 635 2HB LYS 73 3HB LYS 73 7.008 11.004 10.946 636 1HG LYS 73 2HG LYS 73 5.804 13.091 9.869 637 2HG LYS 73 3HG LYS 73 4.878 13.074 11.370 638 1HD LYS 73 2HD LYS 73 6.634 14.396 12.063 639 2HD LYS 73 3HD LYS 73 7.330 12.817 12.421 640 1HE LYS 73 2HE LYS 73 8.299 12.859 10.054 641 2HE LYS 73 3HE LYS 73 7.837 14.561 10.001 642 1HZ LYS 73 1HZ LYS 73 10.168 14.062 10.765 643 2HZ LYS 73 2HZ LYS 73 9.484 13.424 12.184 644 3HZ LYS 73 3HZ LYS 73 9.254 15.060 11.786 645 H GLY 74 H GLY 74 7.058 9.036 9.121 646 1HA GLY 74 1HA GLY 74 8.970 9.873 7.691 647 2HA GLY 74 2HA GLY 74 7.948 8.684 6.900 648 H LEU 75 H LEU 75 5.851 9.878 5.918 649 HA LEU 75 HA LEU 75 6.727 11.342 3.706 650 1HB LEU 75 2HB LEU 75 3.935 11.601 4.812 651 2HB LEU 75 3HB LEU 75 4.456 11.615 3.128 652 HG LEU 75 HG LEU 75 4.434 9.239 5.014 653 1HD1 LEU 75 1HD1 LEU 75 3.006 8.358 3.040 654 2HD1 LEU 75 2HD1 LEU 75 2.266 9.530 4.127 655 3HD1 LEU 75 3HD1 LEU 75 2.880 10.048 2.556 656 1HD2 LEU 75 1HD2 LEU 75 5.782 9.691 2.361 657 2HD2 LEU 75 2HD2 LEU 75 6.372 8.817 3.775 658 3HD2 LEU 75 3HD2 LEU 75 5.141 8.092 2.740 659 HA PRO 76 HA PRO 76 7.359 15.233 5.879 660 1HB PRO 76 2HB PRO 76 8.296 16.396 3.414 661 2HB PRO 76 3HB PRO 76 9.240 15.914 4.831 662 1HG PRO 76 2HG PRO 76 9.255 14.688 2.331 663 2HG PRO 76 3HG PRO 76 9.938 14.043 3.828 664 1HD PRO 76 2HD PRO 76 7.463 13.262 2.422 665 2HD PRO 76 3HD PRO 76 8.421 12.358 3.616 666 H GLY 77 H GLY 77 6.991 17.665 4.987 667 1HA GLY 77 1HA GLY 77 4.266 18.119 4.863 668 2HA GLY 77 2HA GLY 77 5.481 19.269 4.314 669 H GLN 78 H GLN 78 2.852 17.482 3.376 670 HA GLN 78 HA GLN 78 1.805 17.195 1.356 671 1HB GLN 78 2HB GLN 78 3.088 19.490 0.954 672 2HB GLN 78 3HB GLN 78 4.020 18.497 -0.165 673 1HG GLN 78 2HG GLN 78 1.000 18.484 -0.184 674 2HG GLN 78 3HG GLN 78 1.920 19.676 -1.097 675 1HE2 GLN 78 2HE2 GLN 78 0.243 17.133 -1.869 676 2HE2 GLN 78 1HE2 GLN 78 1.263 16.330 -2.963 677 H ALA 79 H ALA 79 1.791 15.694 -0.269 678 HA ALA 79 HA ALA 79 3.833 14.490 -1.639 679 1HB ALA 79 1HB ALA 79 5.043 13.602 0.103 680 2HB ALA 79 2HB ALA 79 3.636 13.478 1.159 681 3HB ALA 79 3HB ALA 79 3.887 12.290 -0.119 682 H LEU 80 H LEU 80 0.769 14.310 -0.082 683 HA LEU 80 HA LEU 80 -0.374 11.956 -0.814 684 1HB LEU 80 2HB LEU 80 -1.528 13.802 0.385 685 2HB LEU 80 3HB LEU 80 -1.668 14.673 -1.142 686 HG LEU 80 HG LEU 80 -2.748 12.391 -1.970 687 1HD1 LEU 80 1HD1 LEU 80 -3.692 12.346 0.884 688 2HD1 LEU 80 2HD1 LEU 80 -3.763 11.070 -0.333 689 3HD1 LEU 80 3HD1 LEU 80 -2.227 11.472 0.435 690 1HD2 LEU 80 1HD2 LEU 80 -4.136 14.461 -0.241 691 2HD2 LEU 80 2HD2 LEU 80 -3.936 14.509 -1.991 692 3HD2 LEU 80 3HD2 LEU 80 -4.983 13.297 -1.256 693 H GLY 81 H GLY 81 -0.804 10.900 -2.639 694 1HA GLY 81 1HA GLY 81 -1.598 10.721 -4.868 695 2HA GLY 81 2HA GLY 81 -1.076 12.370 -5.169 696 H ASP 82 H ASP 82 1.485 11.184 -3.560 697 HA ASP 82 HA ASP 82 3.044 10.848 -5.937 698 1HB ASP 82 2HB ASP 82 3.651 10.442 -3.000 699 2HB ASP 82 3HB ASP 82 4.844 10.179 -4.269 700 H TYR 83 H TYR 83 3.678 9.007 -6.937 701 HA TYR 83 HA TYR 83 2.251 6.593 -6.416 702 1HB TYR 83 2HB TYR 83 4.458 7.420 -8.275 703 2HB TYR 83 3HB TYR 83 4.137 5.702 -8.046 704 HD1 TYR 83 HD1 TYR 83 2.433 4.664 -9.277 705 HD2 TYR 83 HD2 TYR 83 2.376 8.933 -8.787 706 HE1 TYR 83 HE1 TYR 83 0.504 4.816 -10.828 707 HE2 TYR 83 HE2 TYR 83 0.447 9.085 -10.337 708 HH TYR 83 HH TYR 83 -0.712 7.921 -11.944 709 H VAL 84 H VAL 84 2.768 4.958 -5.072 710 HA VAL 84 HA VAL 84 5.249 5.195 -3.545 711 HB VAL 84 HB VAL 84 4.258 3.252 -2.242 712 1HG1 VAL 84 1HG1 VAL 84 2.254 4.845 -1.464 713 2HG1 VAL 84 2HG1 VAL 84 3.937 5.226 -1.107 714 3HG1 VAL 84 3HG1 VAL 84 3.126 6.003 -2.466 715 1HG2 VAL 84 1HG2 VAL 84 1.971 2.643 -2.609 716 2HG2 VAL 84 2HG2 VAL 84 1.735 3.952 -3.767 717 3HG2 VAL 84 3HG2 VAL 84 2.752 2.573 -4.188 718 H GLU 85 H GLU 85 6.339 3.035 -3.031 719 HA GLU 85 HA GLU 85 6.315 1.162 -5.264 720 1HB GLU 85 2HB GLU 85 8.777 2.753 -4.494 721 2HB GLU 85 3HB GLU 85 8.765 1.374 -5.594 722 1HG GLU 85 2HG GLU 85 7.109 2.619 -7.024 723 2HG GLU 85 3HG GLU 85 7.345 4.023 -5.984 724 H ILE 86 H ILE 86 7.317 -0.791 -4.766 725 HA ILE 86 HA ILE 86 7.818 -1.142 -1.877 726 HB ILE 86 HB ILE 86 7.073 -3.279 -3.887 727 1HG1 ILE 86 2HG1 ILE 86 5.299 -1.622 -2.054 728 2HG1 ILE 86 3HG1 ILE 86 5.289 -1.591 -3.815 729 1HG2 ILE 86 1HG2 ILE 86 8.126 -3.589 -1.414 730 2HG2 ILE 86 2HG2 ILE 86 6.423 -3.441 -0.987 731 3HG2 ILE 86 3HG2 ILE 86 6.948 -4.708 -2.092 732 1HD1 ILE 86 1HD1 ILE 86 3.612 -3.108 -3.590 733 2HD1 ILE 86 2HD1 ILE 86 4.931 -4.255 -3.358 734 3HD1 ILE 86 3HD1 ILE 86 4.108 -3.563 -1.960 735 H VAL 87 H VAL 87 9.984 -0.206 -2.446 736 HA VAL 87 HA VAL 87 11.689 -1.925 -4.070 737 HB VAL 87 HB VAL 87 12.802 0.288 -2.399 738 1HG1 VAL 87 1HG1 VAL 87 14.326 -0.954 -3.811 739 2HG1 VAL 87 2HG1 VAL 87 13.245 -0.799 -5.195 740 3HG1 VAL 87 3HG1 VAL 87 14.073 0.623 -4.558 741 1HG2 VAL 87 1HG2 VAL 87 10.751 1.282 -3.265 742 2HG2 VAL 87 2HG2 VAL 87 12.105 1.889 -4.209 743 3HG2 VAL 87 3HG2 VAL 87 11.065 0.628 -4.868 Start of MODEL 10 1 1H MET 1 1HT MET 1 13.625 -7.393 -8.828 2 2H MET 1 2HT MET 1 12.639 -8.630 -8.207 3 3H MET 1 3HT MET 1 12.840 -7.184 -7.340 4 HA MET 1 HA MET 1 11.913 -6.557 -9.911 5 1HB MET 1 2HB MET 1 9.734 -7.702 -9.842 6 2HB MET 1 3HB MET 1 11.050 -8.872 -9.932 7 1HG MET 1 2HG MET 1 10.924 -8.974 -7.368 8 2HG MET 1 3HG MET 1 9.387 -8.121 -7.521 9 1HE MET 1 1HE MET 1 10.531 -11.345 -6.648 10 2HE MET 1 2HE MET 1 8.925 -12.062 -6.771 11 3HE MET 1 3HE MET 1 9.121 -10.477 -6.021 12 H ARG 2 H ARG 2 10.748 -4.729 -9.671 13 HA ARG 2 HA ARG 2 10.108 -3.907 -6.910 14 1HB ARG 2 2HB ARG 2 10.184 -2.018 -9.240 15 2HB ARG 2 3HB ARG 2 10.512 -1.703 -7.534 16 1HG ARG 2 2HG ARG 2 12.553 -3.210 -7.774 17 2HG ARG 2 3HG ARG 2 12.273 -3.171 -9.515 18 1HD ARG 2 2HD ARG 2 12.516 -0.644 -7.875 19 2HD ARG 2 3HD ARG 2 13.919 -1.440 -8.584 20 HE ARG 2 HE ARG 2 11.839 -0.987 -10.515 21 1HH1 ARG 2 1HH2 ARG 2 14.032 0.829 -8.582 22 2HH1 ARG 2 2HH2 ARG 2 14.542 1.866 -9.873 23 1HH2 ARG 2 1HH1 ARG 2 12.687 0.209 -12.290 24 2HH2 ARG 2 2HH1 ARG 2 13.780 1.516 -11.971 25 H ILE 3 H ILE 3 8.284 -2.249 -6.856 26 HA ILE 3 HA ILE 3 6.100 -2.832 -8.718 27 HB ILE 3 HB ILE 3 5.580 -2.978 -5.748 28 1HG1 ILE 3 2HG1 ILE 3 6.376 -5.214 -7.643 29 2HG1 ILE 3 3HG1 ILE 3 7.179 -4.752 -6.141 30 1HG2 ILE 3 1HG2 ILE 3 3.739 -2.607 -7.472 31 2HG2 ILE 3 2HG2 ILE 3 4.103 -4.218 -8.085 32 3HG2 ILE 3 3HG2 ILE 3 3.525 -4.014 -6.432 33 1HD1 ILE 3 1HD1 ILE 3 5.936 -6.539 -5.376 34 2HD1 ILE 3 2HD1 ILE 3 4.760 -5.249 -5.122 35 3HD1 ILE 3 3HD1 ILE 3 4.643 -6.281 -6.547 36 H LYS 4 H LYS 4 4.346 -1.228 -8.520 37 HA LYS 4 HA LYS 4 5.014 1.154 -6.955 38 1HB LYS 4 2HB LYS 4 4.511 2.455 -9.209 39 2HB LYS 4 3HB LYS 4 6.139 1.911 -8.805 40 1HG LYS 4 2HG LYS 4 6.039 0.091 -10.285 41 2HG LYS 4 3HG LYS 4 4.277 0.108 -10.340 42 1HD LYS 4 2HD LYS 4 5.322 1.003 -12.429 43 2HD LYS 4 3HD LYS 4 4.286 2.177 -11.617 44 1HE LYS 4 2HE LYS 4 7.200 2.120 -10.913 45 2HE LYS 4 3HE LYS 4 6.714 2.863 -12.438 46 1HZ LYS 4 1HZ LYS 4 6.467 4.639 -11.079 47 2HZ LYS 4 2HZ LYS 4 6.160 3.699 -9.698 48 3HZ LYS 4 3HZ LYS 4 4.934 3.955 -10.846 49 H GLY 5 H GLY 5 3.238 1.398 -5.846 50 1HA GLY 5 1HA GLY 5 0.598 1.070 -7.093 51 2HA GLY 5 2HA GLY 5 0.923 1.216 -5.366 52 H VAL 6 H VAL 6 -0.991 2.844 -5.946 53 HA VAL 6 HA VAL 6 0.262 5.497 -6.001 54 HB VAL 6 HB VAL 6 -2.028 4.718 -7.831 55 1HG1 VAL 6 1HG1 VAL 6 -2.360 6.971 -6.969 56 2HG1 VAL 6 2HG1 VAL 6 -0.673 7.378 -7.284 57 3HG1 VAL 6 3HG1 VAL 6 -1.774 7.090 -8.628 58 1HG2 VAL 6 1HG2 VAL 6 0.834 5.573 -8.371 59 2HG2 VAL 6 2HG2 VAL 6 0.146 3.981 -8.684 60 3HG2 VAL 6 3HG2 VAL 6 -0.402 5.374 -9.613 61 H VAL 7 H VAL 7 -0.651 6.893 -4.639 62 HA VAL 7 HA VAL 7 -2.623 5.972 -2.777 63 HB VAL 7 HB VAL 7 -1.170 8.586 -3.187 64 1HG1 VAL 7 1HG1 VAL 7 -3.176 9.409 -2.297 65 2HG1 VAL 7 2HG1 VAL 7 -3.481 7.943 -1.365 66 3HG1 VAL 7 3HG1 VAL 7 -2.236 9.076 -0.843 67 1HG2 VAL 7 1HG2 VAL 7 -0.147 7.960 -1.044 68 2HG2 VAL 7 2HG2 VAL 7 -1.186 6.538 -0.946 69 3HG2 VAL 7 3HG2 VAL 7 0.040 6.647 -2.206 70 H LEU 8 H LEU 8 -4.741 6.587 -2.542 71 HA LEU 8 HA LEU 8 -5.931 7.984 -4.862 72 1HB LEU 8 2HB LEU 8 -7.301 6.113 -2.921 73 2HB LEU 8 3HB LEU 8 -7.958 6.754 -4.428 74 HG LEU 8 HG LEU 8 -5.547 4.921 -4.197 75 1HD1 LEU 8 1HD1 LEU 8 -8.460 4.479 -4.798 76 2HD1 LEU 8 2HD1 LEU 8 -7.251 3.446 -5.559 77 3HD1 LEU 8 3HD1 LEU 8 -7.368 3.518 -3.801 78 1HD2 LEU 8 1HD2 LEU 8 -6.068 4.792 -6.757 79 2HD2 LEU 8 2HD2 LEU 8 -6.909 6.320 -6.498 80 3HD2 LEU 8 3HD2 LEU 8 -5.187 6.191 -6.146 81 H SER 9 H SER 9 -5.825 7.808 -1.344 82 HA SER 9 HA SER 9 -6.776 10.531 -1.126 83 1HB SER 9 2HB SER 9 -8.496 8.206 -0.273 84 2HB SER 9 3HB SER 9 -8.642 9.789 0.483 85 HG SER 9 HG SER 9 -10.060 9.606 -1.274 86 H TYR 10 H TYR 10 -5.959 11.483 0.639 87 HA TYR 10 HA TYR 10 -4.584 9.760 2.602 88 1HB TYR 10 2HB TYR 10 -3.134 11.321 1.385 89 2HB TYR 10 3HB TYR 10 -4.133 12.675 1.917 90 HD1 TYR 10 HD1 TYR 10 -3.789 13.682 4.035 91 HD2 TYR 10 HD2 TYR 10 -2.030 9.860 3.171 92 HE1 TYR 10 HE1 TYR 10 -2.510 13.791 6.155 93 HE2 TYR 10 HE2 TYR 10 -0.751 9.968 5.290 94 HH TYR 10 HH TYR 10 -0.394 11.103 7.161 95 H ARG 11 H ARG 11 -6.059 9.364 4.177 96 HA ARG 11 HA ARG 11 -7.728 11.536 5.202 97 1HB ARG 11 2HB ARG 11 -7.778 8.593 5.264 98 2HB ARG 11 3HB ARG 11 -8.246 9.350 6.786 99 1HG ARG 11 2HG ARG 11 -10.257 9.130 5.496 100 2HG ARG 11 3HG ARG 11 -9.815 10.835 5.432 101 1HD ARG 11 2HD ARG 11 -8.628 10.334 3.244 102 2HD ARG 11 3HD ARG 11 -9.362 8.735 3.296 103 HE ARG 11 HE ARG 11 -11.416 10.618 3.619 104 1HH1 ARG 11 1HH1 ARG 11 -11.667 8.586 1.517 105 2HH1 ARG 11 2HH1 ARG 11 -11.513 9.493 0.050 106 1HH2 ARG 11 1HH2 ARG 11 -10.101 12.258 1.592 107 2HH2 ARG 11 2HH2 ARG 11 -10.625 11.570 0.091 108 H ARG 12 H ARG 12 -7.359 12.594 7.092 109 HA ARG 12 HA ARG 12 -4.939 11.825 8.589 110 1HB ARG 12 2HB ARG 12 -5.265 14.177 9.597 111 2HB ARG 12 3HB ARG 12 -4.731 14.064 7.922 112 1HG ARG 12 2HG ARG 12 -7.090 14.338 7.177 113 2HG ARG 12 3HG ARG 12 -7.578 14.534 8.860 114 1HD ARG 12 2HD ARG 12 -6.273 16.540 9.087 115 2HD ARG 12 3HD ARG 12 -5.497 16.281 7.528 116 HE ARG 12 HE ARG 12 -7.654 16.762 6.477 117 1HH1 ARG 12 1HH2 ARG 12 -6.687 18.578 9.081 118 2HH1 ARG 12 2HH2 ARG 12 -8.241 19.250 9.449 119 1HH2 ARG 12 1HH1 ARG 12 -9.953 17.153 7.285 120 2HH2 ARG 12 2HH1 ARG 12 -10.088 18.444 8.431 121 H SER 13 H SER 13 -6.583 10.053 9.354 122 HA SER 13 HA SER 13 -7.718 9.119 11.114 123 1HB SER 13 2HB SER 13 -5.781 10.404 12.297 124 2HB SER 13 3HB SER 13 -7.048 11.523 12.789 125 HG SER 13 HG SER 13 -6.595 8.873 13.512 126 H LYS 14 H LYS 14 -9.584 9.417 12.606 127 HA LYS 14 HA LYS 14 -11.308 11.690 11.843 128 1HB LYS 14 2HB LYS 14 -11.753 9.399 10.645 129 2HB LYS 14 3HB LYS 14 -12.479 8.950 12.186 130 1HG LYS 14 2HG LYS 14 -13.706 11.265 11.968 131 2HG LYS 14 3HG LYS 14 -13.321 11.097 10.257 132 1HD LYS 14 2HD LYS 14 -14.935 9.186 11.969 133 2HD LYS 14 3HD LYS 14 -15.511 10.142 10.604 134 1HE LYS 14 2HE LYS 14 -13.626 7.777 10.549 135 2HE LYS 14 3HE LYS 14 -15.188 7.938 9.749 136 1HZ LYS 14 1HZ LYS 14 -13.436 8.261 8.164 137 2HZ LYS 14 2HZ LYS 14 -12.719 9.465 9.124 138 3HZ LYS 14 3HZ LYS 14 -14.234 9.737 8.405 139 H GLU 15 H GLU 15 -11.623 8.774 13.874 140 HA GLU 15 HA GLU 15 -12.334 10.539 16.140 141 1HB GLU 15 2HB GLU 15 -13.107 7.671 15.545 142 2HB GLU 15 3HB GLU 15 -13.484 8.505 17.052 143 1HG GLU 15 2HG GLU 15 -14.902 10.068 15.961 144 2HG GLU 15 3HG GLU 15 -14.283 9.638 14.366 145 H ASN 16 H ASN 16 -9.623 10.161 15.572 146 HA ASN 16 HA ASN 16 -7.629 9.372 16.424 147 1HB ASN 16 2HB ASN 16 -8.339 10.767 18.280 148 2HB ASN 16 3HB ASN 16 -9.337 9.465 18.926 149 1HD2 ASN 16 2HD2 ASN 16 -7.868 9.883 20.905 150 2HD2 ASN 16 1HD2 ASN 16 -6.390 9.048 20.964 151 H GLN 17 H GLN 17 -7.779 7.358 15.241 152 HA GLN 17 HA GLN 17 -8.580 5.043 16.877 153 1HB GLN 17 2HB GLN 17 -9.631 5.208 14.658 154 2HB GLN 17 3HB GLN 17 -8.038 5.230 13.903 155 1HG GLN 17 2HG GLN 17 -9.027 2.966 13.837 156 2HG GLN 17 3HG GLN 17 -7.558 2.990 14.810 157 1HE2 GLN 17 2HE2 GLN 17 -11.013 2.428 14.895 158 2HE2 GLN 17 1HE2 GLN 17 -11.104 2.032 16.543 159 H HIS 18 H HIS 18 -5.863 6.603 15.323 160 HA HIS 18 HA HIS 18 -3.950 5.197 16.854 161 1HB HIS 18 2HB HIS 18 -4.731 3.470 15.027 162 2HB HIS 18 3HB HIS 18 -3.747 4.454 13.946 163 HD1 HIS 18 HD1 HIS 18 -3.265 1.453 15.394 164 HD2 HIS 18 HD2 HIS 18 -1.171 5.018 15.937 165 HE1 HIS 18 HE1 HIS 18 -0.990 0.818 16.308 166 H ASN 19 H ASN 19 -4.426 6.540 13.608 167 HA ASN 19 HA ASN 19 -3.198 8.975 14.139 168 1HB ASN 19 2HB ASN 19 -1.206 7.241 14.206 169 2HB ASN 19 3HB ASN 19 -1.331 7.336 12.453 170 1HD2 ASN 19 2HD2 ASN 19 0.972 8.309 12.900 171 2HD2 ASN 19 1HD2 ASN 19 1.037 9.992 13.117 172 H ASN 20 H ASN 20 -1.894 9.258 11.540 173 HA ASN 20 HA ASN 20 -4.224 9.809 9.949 174 1HB ASN 20 2HB ASN 20 -1.427 9.893 8.864 175 2HB ASN 20 3HB ASN 20 -2.782 10.973 8.540 176 1HD2 ASN 20 2HD2 ASN 20 0.101 11.372 9.729 177 2HD2 ASN 20 1HD2 ASN 20 -0.193 12.327 11.102 178 H VAL 21 H VAL 21 -5.171 8.512 8.506 179 HA VAL 21 HA VAL 21 -3.766 6.039 7.700 180 HB VAL 21 HB VAL 21 -6.721 6.715 7.729 181 1HG1 VAL 21 1HG1 VAL 21 -6.972 4.269 7.195 182 2HG1 VAL 21 2HG1 VAL 21 -6.258 5.205 5.883 183 3HG1 VAL 21 3HG1 VAL 21 -5.234 4.199 6.910 184 1HG2 VAL 21 1HG2 VAL 21 -6.707 4.849 9.457 185 2HG2 VAL 21 2HG2 VAL 21 -4.948 4.953 9.445 186 3HG2 VAL 21 3HG2 VAL 21 -5.909 6.336 9.966 187 H MET 22 H MET 22 -3.877 5.345 5.493 188 HA MET 22 HA MET 22 -4.801 7.316 3.532 189 1HB MET 22 2HB MET 22 -2.711 7.487 2.401 190 2HB MET 22 3HB MET 22 -2.382 7.801 4.102 191 1HG MET 22 2HG MET 22 -1.909 5.233 4.235 192 2HG MET 22 3HG MET 22 -1.745 5.344 2.482 193 1HE MET 22 1HE MET 22 -0.742 7.060 1.380 194 2HE MET 22 2HE MET 22 0.997 6.780 1.443 195 3HE MET 22 3HE MET 22 0.338 8.310 2.015 196 H ILE 23 H ILE 23 -5.375 6.464 1.587 197 HA ILE 23 HA ILE 23 -5.569 3.545 1.467 198 HB ILE 23 HB ILE 23 -6.777 5.629 -0.373 199 1HG1 ILE 23 2HG1 ILE 23 -7.648 6.018 1.844 200 2HG1 ILE 23 3HG1 ILE 23 -8.880 5.133 0.951 201 1HG2 ILE 23 1HG2 ILE 23 -8.067 3.899 -1.284 202 2HG2 ILE 23 2HG2 ILE 23 -6.509 3.111 -1.052 203 3HG2 ILE 23 3HG2 ILE 23 -7.816 2.841 0.102 204 1HD1 ILE 23 1HD1 ILE 23 -7.070 4.161 3.143 205 2HD1 ILE 23 2HD1 ILE 23 -8.811 3.945 2.959 206 3HD1 ILE 23 3HD1 ILE 23 -7.697 3.014 1.959 207 H ILE 24 H ILE 24 -4.686 2.310 -0.163 208 HA ILE 24 HA ILE 24 -2.949 3.678 -2.124 209 HB ILE 24 HB ILE 24 -2.235 1.479 -0.196 210 1HG1 ILE 24 2HG1 ILE 24 -0.701 3.916 -1.145 211 2HG1 ILE 24 3HG1 ILE 24 -1.755 3.919 0.269 212 1HG2 ILE 24 1HG2 ILE 24 -1.569 0.503 -2.273 213 2HG2 ILE 24 2HG2 ILE 24 -1.005 2.051 -2.905 214 3HG2 ILE 24 3HG2 ILE 24 -0.115 1.248 -1.612 215 1HD1 ILE 24 1HD1 ILE 24 -0.241 1.717 0.793 216 2HD1 ILE 24 2HD1 ILE 24 0.924 2.709 -0.084 217 3HD1 ILE 24 3HD1 ILE 24 0.153 3.335 1.373 218 H LYS 25 H LYS 25 -2.472 2.420 -4.014 219 HA LYS 25 HA LYS 25 -4.189 0.074 -4.468 220 1HB LYS 25 2HB LYS 25 -5.394 2.106 -5.277 221 2HB LYS 25 3HB LYS 25 -4.039 2.430 -6.363 222 1HG LYS 25 2HG LYS 25 -4.752 -0.295 -6.740 223 2HG LYS 25 3HG LYS 25 -6.257 0.624 -6.739 224 1HD LYS 25 2HD LYS 25 -3.826 1.334 -8.414 225 2HD LYS 25 3HD LYS 25 -5.215 0.430 -9.011 226 1HE LYS 25 2HE LYS 25 -6.137 2.425 -9.528 227 2HE LYS 25 3HE LYS 25 -6.362 2.661 -7.796 228 1HZ LYS 25 1HZ LYS 25 -4.087 3.609 -7.737 229 2HZ LYS 25 2HZ LYS 25 -5.182 4.520 -8.663 230 3HZ LYS 25 3HZ LYS 25 -4.041 3.524 -9.430 231 HA PRO 26 HA PRO 26 -0.017 -0.810 -6.066 232 1HB PRO 26 2HB PRO 26 -0.726 -3.603 -6.095 233 2HB PRO 26 3HB PRO 26 0.404 -2.768 -5.024 234 1HG PRO 26 2HG PRO 26 -2.107 -3.827 -4.354 235 2HG PRO 26 3HG PRO 26 -1.060 -2.826 -3.343 236 1HD PRO 26 2HD PRO 26 -3.552 -2.098 -4.690 237 2HD PRO 26 3HD PRO 26 -2.649 -1.209 -3.445 238 H LEU 27 H LEU 27 -1.047 0.279 -7.941 239 HA LEU 27 HA LEU 27 -1.912 0.412 -10.048 240 1HB LEU 27 2HB LEU 27 0.570 -0.724 -9.939 241 2HB LEU 27 3HB LEU 27 -0.315 -1.854 -10.947 242 HG LEU 27 HG LEU 27 -1.184 0.269 -12.184 243 1HD1 LEU 27 1HD1 LEU 27 0.174 2.230 -12.022 244 2HD1 LEU 27 2HD1 LEU 27 -0.184 1.764 -10.361 245 3HD1 LEU 27 3HD1 LEU 27 1.392 1.395 -11.060 246 1HD2 LEU 27 1HD2 LEU 27 1.645 -0.794 -12.357 247 2HD2 LEU 27 2HD2 LEU 27 0.256 -1.240 -13.348 248 3HD2 LEU 27 3HD2 LEU 27 0.994 0.352 -13.529 249 H ASP 28 H ASP 28 -1.356 -3.096 -10.197 250 HA ASP 28 HA ASP 28 -4.159 -3.381 -11.039 251 1HB ASP 28 2HB ASP 28 -3.328 -5.750 -11.678 252 2HB ASP 28 3HB ASP 28 -2.831 -4.378 -12.673 253 H VAL 29 H VAL 29 -2.176 -5.944 -9.638 254 HA VAL 29 HA VAL 29 -2.771 -7.515 -8.057 255 HB VAL 29 HB VAL 29 -3.072 -4.864 -6.639 256 1HG1 VAL 29 1HG1 VAL 29 -2.880 -6.649 -4.594 257 2HG1 VAL 29 2HG1 VAL 29 -4.412 -5.974 -5.146 258 3HG1 VAL 29 3HG1 VAL 29 -3.897 -7.565 -5.706 259 1HG2 VAL 29 1HG2 VAL 29 -0.808 -5.551 -7.208 260 2HG2 VAL 29 2HG2 VAL 29 -1.032 -5.764 -5.472 261 3HG2 VAL 29 3HG2 VAL 29 -1.092 -7.162 -6.548 262 H ASN 30 H ASN 30 -4.546 -7.744 -9.730 263 HA ASN 30 HA ASN 30 -7.212 -7.072 -8.759 264 1HB ASN 30 2HB ASN 30 -7.829 -8.184 -10.995 265 2HB ASN 30 3HB ASN 30 -6.957 -6.663 -11.063 266 1HD2 ASN 30 2HD2 ASN 30 -4.793 -6.686 -11.898 267 2HD2 ASN 30 1HD2 ASN 30 -4.089 -8.079 -12.567 268 H SER 31 H SER 31 -5.994 -8.813 -7.029 269 HA SER 31 HA SER 31 -7.758 -11.111 -7.186 270 1HB SER 31 2HB SER 31 -4.754 -11.461 -7.217 271 2HB SER 31 3HB SER 31 -5.906 -12.751 -6.888 272 HG SER 31 HG SER 31 -6.679 -11.489 -9.089 273 H ARG 32 H ARG 32 -8.611 -11.251 -5.236 274 HA ARG 32 HA ARG 32 -7.771 -9.914 -2.949 275 1HB ARG 32 2HB ARG 32 -9.986 -10.770 -2.976 276 2HB ARG 32 3HB ARG 32 -9.438 -12.407 -3.319 277 1HG ARG 32 2HG ARG 32 -8.548 -12.680 -1.119 278 2HG ARG 32 3HG ARG 32 -8.690 -10.956 -0.774 279 1HD ARG 32 2HD ARG 32 -10.877 -11.133 -0.208 280 2HD ARG 32 3HD ARG 32 -11.233 -12.199 -1.563 281 HE ARG 32 HE ARG 32 -10.422 -14.058 -0.194 282 1HH1 ARG 32 1HH1 ARG 32 -9.627 -11.393 1.641 283 2HH1 ARG 32 2HH1 ARG 32 -10.392 -11.919 3.101 284 1HH2 ARG 32 1HH2 ARG 32 -12.013 -14.595 1.600 285 2HH2 ARG 32 2HH2 ARG 32 -11.741 -13.739 3.080 286 H GLU 33 H GLU 33 -6.773 -12.985 -4.291 287 HA GLU 33 HA GLU 33 -5.436 -14.023 -2.022 288 1HB GLU 33 2HB GLU 33 -4.818 -14.426 -4.962 289 2HB GLU 33 3HB GLU 33 -4.254 -15.439 -3.637 290 1HG GLU 33 2HG GLU 33 -6.497 -16.128 -3.097 291 2HG GLU 33 3HG GLU 33 -7.183 -14.942 -4.205 292 H GLU 34 H GLU 34 -4.025 -12.480 -4.925 293 HA GLU 34 HA GLU 34 -1.451 -12.099 -3.905 294 1HB GLU 34 2HB GLU 34 -3.055 -10.534 -5.942 295 2HB GLU 34 3HB GLU 34 -1.359 -10.199 -5.605 296 1HG GLU 34 2HG GLU 34 -2.344 -12.963 -6.343 297 2HG GLU 34 3HG GLU 34 -1.839 -11.792 -7.557 298 H ALA 35 H ALA 35 -4.268 -9.928 -3.839 299 HA ALA 35 HA ALA 35 -3.074 -7.742 -2.539 300 1HB ALA 35 1HB ALA 35 -5.264 -6.953 -2.183 301 2HB ALA 35 2HB ALA 35 -5.433 -7.970 -3.612 302 3HB ALA 35 3HB ALA 35 -5.929 -8.577 -2.033 303 H SER 36 H SER 36 -5.313 -10.054 -0.985 304 HA SER 36 HA SER 36 -4.710 -9.453 1.649 305 1HB SER 36 2HB SER 36 -5.459 -12.142 0.477 306 2HB SER 36 3HB SER 36 -5.537 -11.725 2.186 307 HG SER 36 HG SER 36 -7.483 -11.104 1.627 308 H LYS 37 H LYS 37 -3.034 -11.600 -0.585 309 HA LYS 37 HA LYS 37 -1.255 -12.744 1.336 310 1HB LYS 37 2HB LYS 37 -1.725 -13.887 -0.766 311 2HB LYS 37 3HB LYS 37 -1.059 -12.535 -1.681 312 1HG LYS 37 2HG LYS 37 1.129 -13.044 -1.115 313 2HG LYS 37 3HG LYS 37 0.663 -13.822 0.394 314 1HD LYS 37 2HD LYS 37 -0.314 -15.709 -0.908 315 2HD LYS 37 3HD LYS 37 0.266 -14.947 -2.391 316 1HE LYS 37 2HE LYS 37 2.588 -15.037 -1.500 317 2HE LYS 37 3HE LYS 37 1.985 -15.880 -0.072 318 1HZ LYS 37 1HZ LYS 37 2.860 -17.136 -2.226 319 2HZ LYS 37 2HZ LYS 37 1.224 -16.980 -2.656 320 3HZ LYS 37 3HZ LYS 37 1.654 -17.777 -1.219 321 H LEU 38 H LEU 38 -1.372 -9.683 -0.169 322 HA LEU 38 HA LEU 38 1.498 -9.227 -0.034 323 1HB LEU 38 2HB LEU 38 0.993 -7.789 -1.668 324 2HB LEU 38 3HB LEU 38 -0.722 -8.084 -1.430 325 HG LEU 38 HG LEU 38 0.787 -6.150 0.331 326 1HD1 LEU 38 1HD1 LEU 38 1.169 -5.407 -1.955 327 2HD1 LEU 38 2HD1 LEU 38 -0.544 -5.604 -2.331 328 3HD1 LEU 38 3HD1 LEU 38 -0.027 -4.358 -1.193 329 1HD2 LEU 38 1HD2 LEU 38 -1.502 -5.158 0.521 330 2HD2 LEU 38 2HD2 LEU 38 -2.118 -6.472 -0.477 331 3HD2 LEU 38 3HD2 LEU 38 -1.435 -6.818 1.111 332 H ILE 39 H ILE 39 -1.099 -9.108 2.109 333 HA ILE 39 HA ILE 39 -0.604 -6.877 3.716 334 HB ILE 39 HB ILE 39 -1.653 -9.635 4.350 335 1HG1 ILE 39 2HG1 ILE 39 -2.998 -6.915 4.337 336 2HG1 ILE 39 3HG1 ILE 39 -2.989 -8.008 2.952 337 1HG2 ILE 39 1HG2 ILE 39 -2.461 -8.274 6.496 338 2HG2 ILE 39 2HG2 ILE 39 -0.908 -9.107 6.480 339 3HG2 ILE 39 3HG2 ILE 39 -0.978 -7.371 6.192 340 1HD1 ILE 39 1HD1 ILE 39 -4.025 -8.786 5.693 341 2HD1 ILE 39 2HD1 ILE 39 -5.053 -8.184 4.393 342 3HD1 ILE 39 3HD1 ILE 39 -4.181 -9.702 4.193 343 H GLY 40 H GLY 40 1.156 -6.286 4.830 344 1HA GLY 40 1HA GLY 40 2.746 -6.705 6.580 345 2HA GLY 40 2HA GLY 40 2.844 -8.377 6.047 346 H ARG 41 H ARG 41 2.817 -6.709 3.249 347 HA ARG 41 HA ARG 41 5.608 -7.105 2.780 348 1HB ARG 41 2HB ARG 41 3.643 -7.145 1.078 349 2HB ARG 41 3HB ARG 41 3.853 -5.396 1.030 350 1HG ARG 41 2HG ARG 41 5.213 -6.311 -0.732 351 2HG ARG 41 3HG ARG 41 6.312 -5.807 0.551 352 1HD ARG 41 2HD ARG 41 6.870 -7.967 1.113 353 2HD ARG 41 3HD ARG 41 5.287 -8.604 0.678 354 HE ARG 41 HE ARG 41 6.491 -7.793 -1.701 355 1HH1 ARG 41 1HH1 ARG 41 5.646 -10.653 -0.716 356 2HH1 ARG 41 2HH1 ARG 41 7.120 -11.515 -1.006 357 1HH2 ARG 41 1HH2 ARG 41 9.034 -8.662 -1.404 358 2HH2 ARG 41 2HH2 ARG 41 9.028 -10.395 -1.395 359 H LEU 42 H LEU 42 7.258 -5.641 2.638 360 HA LEU 42 HA LEU 42 6.940 -3.187 4.140 361 1HB LEU 42 2HB LEU 42 8.938 -4.888 4.092 362 2HB LEU 42 3HB LEU 42 9.445 -3.967 2.679 363 HG LEU 42 HG LEU 42 9.281 -1.874 4.070 364 1HD1 LEU 42 1HD1 LEU 42 8.005 -2.154 5.940 365 2HD1 LEU 42 2HD1 LEU 42 8.328 -3.885 6.018 366 3HD1 LEU 42 3HD1 LEU 42 9.505 -2.739 6.657 367 1HD2 LEU 42 1HD2 LEU 42 11.428 -3.127 3.708 368 2HD2 LEU 42 2HD2 LEU 42 11.387 -2.256 5.240 369 3HD2 LEU 42 3HD2 LEU 42 11.126 -3.999 5.212 370 H VAL 43 H VAL 43 6.096 -1.451 3.151 371 HA VAL 43 HA VAL 43 6.425 -1.065 0.276 372 HB VAL 43 HB VAL 43 4.763 0.654 0.479 373 1HG1 VAL 43 1HG1 VAL 43 4.115 -1.822 0.716 374 2HG1 VAL 43 2HG1 VAL 43 3.928 -1.494 2.440 375 3HG1 VAL 43 3HG1 VAL 43 2.923 -0.643 1.265 376 1HG2 VAL 43 1HG2 VAL 43 3.854 0.925 2.981 377 2HG2 VAL 43 2HG2 VAL 43 5.535 0.551 3.367 378 3HG2 VAL 43 3HG2 VAL 43 5.152 1.944 2.358 379 H LEU 44 H LEU 44 8.284 -0.257 -0.352 380 HA LEU 44 HA LEU 44 9.517 1.949 1.176 381 1HB LEU 44 2HB LEU 44 10.550 -0.216 -0.586 382 2HB LEU 44 3HB LEU 44 11.351 1.349 -0.723 383 HG LEU 44 HG LEU 44 11.600 1.356 1.786 384 1HD1 LEU 44 1HD1 LEU 44 9.785 -0.264 2.266 385 2HD1 LEU 44 2HD1 LEU 44 10.725 -1.535 1.485 386 3HD1 LEU 44 3HD1 LEU 44 11.317 -0.786 2.966 387 1HD2 LEU 44 1HD2 LEU 44 12.876 -1.115 0.605 388 2HD2 LEU 44 2HD2 LEU 44 13.330 0.495 0.050 389 3HD2 LEU 44 3HD2 LEU 44 13.569 0.044 1.739 390 H TRP 45 H TRP 45 8.237 3.603 0.498 391 HA TRP 45 HA TRP 45 7.789 4.107 -2.341 392 1HB TRP 45 2HB TRP 45 5.841 4.562 -1.208 393 2HB TRP 45 3HB TRP 45 6.673 5.059 0.253 394 HD1 TRP 45 HD1 TRP 45 6.753 6.519 -3.355 395 HE1 TRP 45 HE1 TRP 45 6.242 9.054 -3.191 396 HE3 TRP 45 HE3 TRP 45 6.029 6.955 1.681 397 HZ2 TRP 45 HZ2 TRP 45 5.653 10.993 -1.184 398 HZ3 TRP 45 HZ3 TRP 45 5.494 9.153 2.690 399 HH2 TRP 45 HH2 TRP 45 5.309 11.173 1.264 400 H LYS 46 H LYS 46 8.915 5.478 -3.524 401 HA LYS 46 HA LYS 46 11.164 6.901 -2.379 402 1HB LYS 46 2HB LYS 46 11.388 5.764 -4.557 403 2HB LYS 46 3HB LYS 46 10.134 6.807 -5.231 404 1HG LYS 46 2HG LYS 46 11.482 8.768 -4.966 405 2HG LYS 46 3HG LYS 46 12.649 7.913 -3.957 406 1HD LYS 46 2HD LYS 46 12.105 7.241 -6.864 407 2HD LYS 46 3HD LYS 46 13.432 8.267 -6.317 408 1HE LYS 46 2HE LYS 46 14.605 6.321 -6.222 409 2HE LYS 46 3HE LYS 46 13.748 6.080 -4.698 410 1HZ LYS 46 1HZ LYS 46 13.664 4.397 -6.800 411 2HZ LYS 46 2HZ LYS 46 12.246 5.303 -7.030 412 3HZ LYS 46 3HZ LYS 46 12.497 4.470 -5.571 413 H SER 47 H SER 47 10.261 8.512 -1.095 414 HA SER 47 HA SER 47 8.209 10.236 -1.952 415 1HB SER 47 2HB SER 47 10.191 11.312 -0.031 416 2HB SER 47 3HB SER 47 8.435 11.264 0.069 417 HG SER 47 HG SER 47 10.234 9.093 0.418 418 HA PRO 48 HA PRO 48 10.285 13.216 -4.426 419 1HB PRO 48 2HB PRO 48 9.521 15.616 -3.024 420 2HB PRO 48 3HB PRO 48 8.766 14.894 -4.453 421 1HG PRO 48 2HG PRO 48 7.626 15.051 -1.944 422 2HG PRO 48 3HG PRO 48 7.117 13.955 -3.236 423 1HD PRO 48 2HD PRO 48 8.753 13.377 -0.808 424 2HD PRO 48 3HD PRO 48 7.629 12.320 -1.696 425 H SER 49 H SER 49 10.712 14.093 -1.008 426 HA SER 49 HA SER 49 13.075 15.644 -1.399 427 1HB SER 49 2HB SER 49 11.445 15.706 0.580 428 2HB SER 49 3HB SER 49 12.277 14.267 1.166 429 HG SER 49 HG SER 49 13.766 16.508 0.364 430 H GLY 50 H GLY 50 12.961 12.749 -2.412 431 1HA GLY 50 1HA GLY 50 14.492 11.070 -2.753 432 2HA GLY 50 2HA GLY 50 15.689 12.101 -1.982 433 H LYS 51 H LYS 51 13.450 12.066 0.296 434 HA LYS 51 HA LYS 51 14.787 10.132 1.936 435 1HB LYS 51 2HB LYS 51 13.765 12.239 2.813 436 2HB LYS 51 3HB LYS 51 12.174 11.586 2.432 437 1HG LYS 51 2HG LYS 51 12.409 9.819 4.021 438 2HG LYS 51 3HG LYS 51 14.140 10.117 4.203 439 1HD LYS 51 2HD LYS 51 12.947 11.040 6.127 440 2HD LYS 51 3HD LYS 51 13.627 12.354 5.170 441 1HE LYS 51 2HE LYS 51 10.878 11.497 4.431 442 2HE LYS 51 3HE LYS 51 11.043 12.309 5.987 443 1HZ LYS 51 1HZ LYS 51 11.069 14.200 4.858 444 2HZ LYS 51 2HZ LYS 51 11.190 13.400 3.365 445 3HZ LYS 51 3HZ LYS 51 12.592 13.765 4.253 446 H ILE 52 H ILE 52 14.414 8.008 1.884 447 HA ILE 52 HA ILE 52 12.039 6.976 0.570 448 HB ILE 52 HB ILE 52 14.397 5.578 1.857 449 1HG1 ILE 52 2HG1 ILE 52 15.056 6.833 -0.104 450 2HG1 ILE 52 3HG1 ILE 52 14.941 5.138 -0.579 451 1HG2 ILE 52 1HG2 ILE 52 13.471 3.649 0.392 452 2HG2 ILE 52 2HG2 ILE 52 12.637 3.993 1.907 453 3HG2 ILE 52 3HG2 ILE 52 11.963 4.565 0.380 454 1HD1 ILE 52 1HD1 ILE 52 13.065 7.410 -1.213 455 2HD1 ILE 52 2HD1 ILE 52 13.761 6.212 -2.304 456 3HD1 ILE 52 3HD1 ILE 52 12.465 5.752 -1.201 457 H LEU 53 H LEU 53 10.194 6.854 1.651 458 HA LEU 53 HA LEU 53 10.285 6.439 4.563 459 1HB LEU 53 2HB LEU 53 8.030 7.336 2.763 460 2HB LEU 53 3HB LEU 53 7.913 7.145 4.515 461 HG LEU 53 HG LEU 53 10.103 8.840 3.335 462 1HD1 LEU 53 1HD1 LEU 53 7.954 9.594 2.347 463 2HD1 LEU 53 2HD1 LEU 53 7.299 9.782 3.973 464 3HD1 LEU 53 3HD1 LEU 53 8.649 10.788 3.441 465 1HD2 LEU 53 1HD2 LEU 53 8.708 9.689 5.776 466 2HD2 LEU 53 2HD2 LEU 53 9.405 8.073 5.917 467 3HD2 LEU 53 3HD2 LEU 53 10.434 9.443 5.497 468 H LYS 54 H LYS 54 9.830 4.602 5.429 469 HA LYS 54 HA LYS 54 8.842 2.389 3.812 470 1HB LYS 54 2HB LYS 54 9.926 2.557 6.628 471 2HB LYS 54 3HB LYS 54 9.377 1.067 5.872 472 1HG LYS 54 2HG LYS 54 11.171 0.962 4.435 473 2HG LYS 54 3HG LYS 54 11.321 2.716 4.330 474 1HD LYS 54 2HD LYS 54 13.228 1.951 5.560 475 2HD LYS 54 3HD LYS 54 12.134 2.675 6.739 476 1HE LYS 54 2HE LYS 54 11.202 0.163 6.831 477 2HE LYS 54 3HE LYS 54 12.856 -0.190 6.330 478 1HZ LYS 54 1HZ LYS 54 12.530 -0.108 8.770 479 2HZ LYS 54 2HZ LYS 54 12.156 1.543 8.634 480 3HZ LYS 54 3HZ LYS 54 13.701 0.981 8.204 481 H GLY 55 H GLY 55 7.225 0.899 4.846 482 1HA GLY 55 1HA GLY 55 5.369 2.018 6.758 483 2HA GLY 55 2HA GLY 55 4.739 1.973 5.113 484 H LYS 56 H LYS 56 3.279 0.530 6.709 485 HA LYS 56 HA LYS 56 3.875 -2.212 5.925 486 1HB LYS 56 2HB LYS 56 4.830 -1.573 8.318 487 2HB LYS 56 3HB LYS 56 3.155 -1.839 8.801 488 1HG LYS 56 2HG LYS 56 3.252 -4.069 7.631 489 2HG LYS 56 3HG LYS 56 4.978 -3.800 7.381 490 1HD LYS 56 2HD LYS 56 5.264 -3.556 9.846 491 2HD LYS 56 3HD LYS 56 3.553 -3.934 10.055 492 1HE LYS 56 2HE LYS 56 4.228 -6.041 8.548 493 2HE LYS 56 3HE LYS 56 5.810 -5.722 9.259 494 1HZ LYS 56 1HZ LYS 56 3.485 -6.847 10.464 495 2HZ LYS 56 2HZ LYS 56 4.039 -5.500 11.339 496 3HZ LYS 56 3HZ LYS 56 5.081 -6.808 11.038 497 H ILE 57 H ILE 57 2.073 -3.074 5.157 498 HA ILE 57 HA ILE 57 -0.457 -1.804 5.346 499 HB ILE 57 HB ILE 57 0.344 -4.575 4.440 500 1HG1 ILE 57 2HG1 ILE 57 -0.675 -2.398 2.654 501 2HG1 ILE 57 3HG1 ILE 57 0.982 -2.274 3.247 502 1HG2 ILE 57 1HG2 ILE 57 -1.992 -4.639 5.120 503 2HG2 ILE 57 2HG2 ILE 57 -2.322 -3.141 4.253 504 3HG2 ILE 57 3HG2 ILE 57 -1.918 -4.605 3.359 505 1HD1 ILE 57 1HD1 ILE 57 0.371 -3.628 1.012 506 2HD1 ILE 57 2HD1 ILE 57 1.687 -4.124 2.074 507 3HD1 ILE 57 3HD1 ILE 57 0.119 -4.922 2.182 508 H VAL 58 H VAL 58 -2.273 -2.337 6.522 509 HA VAL 58 HA VAL 58 -1.806 -4.084 8.860 510 HB VAL 58 HB VAL 58 -3.844 -2.749 9.758 511 1HG1 VAL 58 1HG1 VAL 58 -1.654 -2.510 10.730 512 2HG1 VAL 58 2HG1 VAL 58 -1.085 -1.566 9.352 513 3HG1 VAL 58 3HG1 VAL 58 -2.283 -0.885 10.454 514 1HG2 VAL 58 1HG2 VAL 58 -4.109 -1.721 7.350 515 2HG2 VAL 58 2HG2 VAL 58 -4.351 -0.689 8.757 516 3HG2 VAL 58 3HG2 VAL 58 -2.829 -0.630 7.873 517 H ARG 59 H ARG 59 -4.010 -3.311 6.231 518 HA ARG 59 HA ARG 59 -5.145 -5.957 6.290 519 1HB ARG 59 2HB ARG 59 -7.538 -4.722 6.413 520 2HB ARG 59 3HB ARG 59 -6.737 -5.392 7.831 521 1HG ARG 59 2HG ARG 59 -5.947 -3.269 8.532 522 2HG ARG 59 3HG ARG 59 -6.238 -2.547 6.951 523 1HD ARG 59 2HD ARG 59 -7.927 -1.989 8.804 524 2HD ARG 59 3HD ARG 59 -8.587 -2.530 7.263 525 HE ARG 59 HE ARG 59 -9.058 -4.664 8.279 526 1HH1 ARG 59 1HH1 ARG 59 -6.894 -4.469 10.438 527 2HH1 ARG 59 2HH1 ARG 59 -7.856 -4.267 11.864 528 1HH2 ARG 59 1HH2 ARG 59 -10.735 -3.424 10.120 529 2HH2 ARG 59 2HH2 ARG 59 -10.031 -3.676 11.683 530 H VAL 60 H VAL 60 -6.596 -6.340 4.491 531 HA VAL 60 HA VAL 60 -5.922 -4.670 2.192 532 HB VAL 60 HB VAL 60 -5.696 -7.086 1.939 533 1HG1 VAL 60 1HG1 VAL 60 -7.340 -7.853 3.561 534 2HG1 VAL 60 2HG1 VAL 60 -8.653 -7.150 2.618 535 3HG1 VAL 60 3HG1 VAL 60 -7.745 -8.519 1.980 536 1HG2 VAL 60 1HG2 VAL 60 -8.164 -6.383 0.363 537 2HG2 VAL 60 2HG2 VAL 60 -6.657 -5.517 0.076 538 3HG2 VAL 60 3HG2 VAL 60 -6.730 -7.264 -0.157 539 H HIS 61 H HIS 61 -7.518 -3.846 0.736 540 HA HIS 61 HA HIS 61 -10.264 -3.648 1.769 541 1HB HIS 61 2HB HIS 61 -8.668 -1.626 2.390 542 2HB HIS 61 3HB HIS 61 -8.968 -1.158 0.717 543 HD1 HIS 61 HD1 HIS 61 -10.980 0.272 0.431 544 HD2 HIS 61 HD2 HIS 61 -11.356 -2.242 3.733 545 HE1 HIS 61 HE1 HIS 61 -13.220 0.805 1.484 546 H GLY 62 H GLY 62 -11.665 -4.058 0.203 547 1HA GLY 62 1HA GLY 62 -12.648 -3.782 -1.931 548 2HA GLY 62 2HA GLY 62 -11.092 -3.239 -2.555 549 H THR 63 H THR 63 -10.875 -5.955 -0.547 550 HA THR 63 HA THR 63 -10.209 -8.107 -0.913 551 HB THR 63 HB THR 63 -11.636 -9.429 -2.422 552 HG1 THR 63 HG1 THR 63 -13.217 -7.282 -3.075 553 1HG2 THR 63 1HG2 THR 63 -13.061 -7.334 -0.761 554 2HG2 THR 63 2HG2 THR 63 -13.815 -8.809 -1.366 555 3HG2 THR 63 3HG2 THR 63 -12.487 -8.909 -0.210 556 H LYS 64 H LYS 64 -10.966 -8.095 -4.281 557 HA LYS 64 HA LYS 64 -8.157 -8.524 -4.936 558 1HB LYS 64 2HB LYS 64 -9.146 -9.003 -7.230 559 2HB LYS 64 3HB LYS 64 -9.690 -10.065 -5.933 560 1HG LYS 64 2HG LYS 64 -11.764 -8.858 -5.704 561 2HG LYS 64 3HG LYS 64 -11.211 -7.588 -6.791 562 1HD LYS 64 2HD LYS 64 -11.401 -8.954 -8.690 563 2HD LYS 64 3HD LYS 64 -11.351 -10.442 -7.742 564 1HE LYS 64 2HE LYS 64 -13.580 -10.286 -7.119 565 2HE LYS 64 3HE LYS 64 -13.606 -8.527 -7.258 566 1HZ LYS 64 1HZ LYS 64 -13.044 -9.776 -9.756 567 2HZ LYS 64 2HZ LYS 64 -14.263 -8.664 -9.357 568 3HZ LYS 64 3HZ LYS 64 -14.513 -10.326 -9.114 569 H GLY 65 H GLY 65 -8.199 -5.973 -4.168 570 1HA GLY 65 1HA GLY 65 -7.745 -4.521 -6.634 571 2HA GLY 65 2HA GLY 65 -9.022 -3.895 -5.599 572 H ALA 66 H ALA 66 -8.374 -2.268 -4.536 573 HA ALA 66 HA ALA 66 -5.684 -1.558 -4.004 574 1HB ALA 66 1HB ALA 66 -7.169 0.235 -4.233 575 2HB ALA 66 2HB ALA 66 -8.361 -0.494 -3.160 576 3HB ALA 66 3HB ALA 66 -6.873 0.179 -2.497 577 H VAL 67 H VAL 67 -5.312 -0.686 -1.595 578 HA VAL 67 HA VAL 67 -6.092 -2.612 0.447 579 HB VAL 67 HB VAL 67 -3.906 -3.392 0.965 580 1HG1 VAL 67 1HG1 VAL 67 -4.073 -3.357 -2.063 581 2HG1 VAL 67 2HG1 VAL 67 -3.182 -4.513 -1.074 582 3HG1 VAL 67 3HG1 VAL 67 -4.942 -4.484 -1.024 583 1HG2 VAL 67 1HG2 VAL 67 -1.915 -2.552 -0.389 584 2HG2 VAL 67 2HG2 VAL 67 -2.970 -1.268 -0.980 585 3HG2 VAL 67 3HG2 VAL 67 -2.609 -1.388 0.741 586 H ARG 68 H ARG 68 -5.459 -1.934 2.586 587 HA ARG 68 HA ARG 68 -5.342 0.973 2.810 588 1HB ARG 68 2HB ARG 68 -6.907 -0.596 4.126 589 2HB ARG 68 3HB ARG 68 -5.488 -0.986 5.094 590 1HG ARG 68 2HG ARG 68 -6.135 0.815 6.332 591 2HG ARG 68 3HG ARG 68 -5.345 1.742 5.058 592 1HD ARG 68 2HD ARG 68 -7.541 2.675 5.355 593 2HD ARG 68 3HD ARG 68 -7.552 1.782 3.837 594 HE ARG 68 HE ARG 68 -8.433 0.237 6.128 595 1HH1 ARG 68 1HH2 ARG 68 -9.172 1.143 2.996 596 2HH1 ARG 68 2HH2 ARG 68 -10.889 1.216 3.214 597 1HH2 ARG 68 1HH1 ARG 68 -10.738 0.877 6.656 598 2HH2 ARG 68 2HH1 ARG 68 -11.772 1.065 5.280 599 H ALA 69 H ALA 69 -3.832 2.064 4.181 600 HA ALA 69 HA ALA 69 -1.456 0.609 5.052 601 1HB ALA 69 1HB ALA 69 -0.094 2.518 3.837 602 2HB ALA 69 2HB ALA 69 -0.571 1.062 2.959 603 3HB ALA 69 3HB ALA 69 -1.501 2.551 2.770 604 H ARG 70 H ARG 70 -0.130 1.852 6.515 605 HA ARG 70 HA ARG 70 -1.151 4.466 7.356 606 1HB ARG 70 2HB ARG 70 -0.892 2.199 9.346 607 2HB ARG 70 3HB ARG 70 -1.514 3.826 9.643 608 1HG ARG 70 2HG ARG 70 -3.337 3.358 7.973 609 2HG ARG 70 3HG ARG 70 -2.764 1.692 7.889 610 1HD ARG 70 2HD ARG 70 -3.198 1.387 10.270 611 2HD ARG 70 3HD ARG 70 -3.671 3.076 10.428 612 HE ARG 70 HE ARG 70 -5.286 1.929 8.444 613 1HH1 ARG 70 1HH1 ARG 70 -4.940 -0.217 10.731 614 2HH1 ARG 70 2HH1 ARG 70 -6.410 0.054 11.607 615 1HH2 ARG 70 1HH2 ARG 70 -7.076 3.090 10.059 616 2HH2 ARG 70 2HH2 ARG 70 -7.620 1.933 11.227 617 H PHE 71 H PHE 71 0.471 5.775 7.868 618 HA PHE 71 HA PHE 71 3.149 4.625 8.345 619 1HB PHE 71 2HB PHE 71 2.188 7.275 7.277 620 2HB PHE 71 3HB PHE 71 3.839 7.062 7.858 621 HD1 PHE 71 HD1 PHE 71 5.461 6.308 6.366 622 HD2 PHE 71 HD2 PHE 71 1.334 5.387 5.608 623 HE1 PHE 71 HE1 PHE 71 6.090 5.266 4.207 624 HE2 PHE 71 HE2 PHE 71 1.965 4.340 3.452 625 HZ PHE 71 HZ PHE 71 4.344 4.281 2.751 626 H GLU 72 H GLU 72 3.745 4.549 10.411 627 HA GLU 72 HA GLU 72 2.369 6.094 12.424 628 1HB GLU 72 2HB GLU 72 4.773 4.293 12.766 629 2HB GLU 72 3HB GLU 72 3.649 4.823 14.018 630 1HG GLU 72 2HG GLU 72 2.321 3.067 13.568 631 2HG GLU 72 3HG GLU 72 2.100 3.659 11.924 632 H LYS 73 H LYS 73 5.065 6.696 10.438 633 HA LYS 73 HA LYS 73 5.671 9.097 11.938 634 1HB LYS 73 2HB LYS 73 7.032 7.110 12.938 635 2HB LYS 73 3HB LYS 73 8.021 7.289 11.491 636 1HG LYS 73 2HG LYS 73 8.208 9.755 12.042 637 2HG LYS 73 3HG LYS 73 7.447 9.396 13.591 638 1HD LYS 73 2HD LYS 73 9.722 9.263 14.120 639 2HD LYS 73 3HD LYS 73 9.319 7.576 13.796 640 1HE LYS 73 2HE LYS 73 10.170 7.778 11.511 641 2HE LYS 73 3HE LYS 73 10.498 9.493 11.761 642 1HZ LYS 73 1HZ LYS 73 11.772 8.382 13.838 643 2HZ LYS 73 2HZ LYS 73 12.512 8.764 12.355 644 3HZ LYS 73 3HZ LYS 73 11.979 7.180 12.659 645 H GLY 74 H GLY 74 6.792 6.918 9.373 646 1HA GLY 74 1HA GLY 74 8.212 8.841 7.860 647 2HA GLY 74 2HA GLY 74 7.609 7.305 7.254 648 H LEU 75 H LEU 75 6.018 10.250 8.461 649 HA LEU 75 HA LEU 75 4.708 10.618 5.853 650 1HB LEU 75 2HB LEU 75 3.387 9.428 7.933 651 2HB LEU 75 3HB LEU 75 2.999 11.122 8.211 652 HG LEU 75 HG LEU 75 1.313 10.091 6.762 653 1HD1 LEU 75 1HD1 LEU 75 2.267 12.499 6.396 654 2HD1 LEU 75 2HD1 LEU 75 2.962 11.813 4.928 655 3HD1 LEU 75 3HD1 LEU 75 1.217 11.798 5.167 656 1HD2 LEU 75 1HD2 LEU 75 3.061 9.763 4.429 657 2HD2 LEU 75 2HD2 LEU 75 3.449 8.651 5.739 658 3HD2 LEU 75 3HD2 LEU 75 1.822 8.684 5.065 659 HA PRO 76 HA PRO 76 6.566 14.528 7.378 660 1HB PRO 76 2HB PRO 76 6.376 15.544 4.689 661 2HB PRO 76 3HB PRO 76 7.824 15.113 5.605 662 1HG PRO 76 2HG PRO 76 6.656 13.723 3.434 663 2HG PRO 76 3HG PRO 76 8.073 13.272 4.385 664 1HD PRO 76 2HD PRO 76 5.454 12.062 4.408 665 2HD PRO 76 3HD PRO 76 6.897 11.569 5.310 666 H GLY 77 H GLY 77 4.540 15.263 4.559 667 1HA GLY 77 1HA GLY 77 2.201 15.953 6.018 668 2HA GLY 77 2HA GLY 77 3.182 17.387 5.739 669 H GLN 78 H GLN 78 3.635 15.114 3.288 670 HA GLN 78 HA GLN 78 1.365 15.884 1.662 671 1HB GLN 78 2HB GLN 78 3.366 17.694 1.633 672 2HB GLN 78 3HB GLN 78 3.948 16.599 0.380 673 1HG GLN 78 2HG GLN 78 1.241 17.967 0.477 674 2HG GLN 78 3HG GLN 78 2.554 18.311 -0.648 675 1HE2 GLN 78 2HE2 GLN 78 3.316 15.609 -1.288 676 2HE2 GLN 78 1HE2 GLN 78 2.030 14.888 -2.129 677 H ALA 79 H ALA 79 0.864 13.889 0.995 678 HA ALA 79 HA ALA 79 2.893 12.386 -0.511 679 1HB ALA 79 1HB ALA 79 1.101 11.170 1.605 680 2HB ALA 79 2HB ALA 79 2.210 10.285 0.559 681 3HB ALA 79 3HB ALA 79 2.839 11.416 1.754 682 H LEU 80 H LEU 80 0.023 13.875 -0.583 683 HA LEU 80 HA LEU 80 -1.618 11.907 -1.892 684 1HB LEU 80 2HB LEU 80 -2.497 13.861 -0.579 685 2HB LEU 80 3HB LEU 80 -1.946 14.913 -1.883 686 HG LEU 80 HG LEU 80 -3.321 13.209 -3.390 687 1HD1 LEU 80 1HD1 LEU 80 -3.793 11.904 -1.146 688 2HD1 LEU 80 2HD1 LEU 80 -5.039 13.131 -0.924 689 3HD1 LEU 80 3HD1 LEU 80 -5.075 12.082 -2.343 690 1HD2 LEU 80 1HD2 LEU 80 -5.360 14.688 -2.970 691 2HD2 LEU 80 2HD2 LEU 80 -4.437 15.441 -1.671 692 3HD2 LEU 80 3HD2 LEU 80 -3.863 15.545 -3.336 693 H GLY 81 H GLY 81 -0.693 11.119 -3.743 694 1HA GLY 81 1HA GLY 81 -0.974 11.613 -6.173 695 2HA GLY 81 2HA GLY 81 -0.077 13.091 -5.867 696 H ASP 82 H ASP 82 1.766 11.600 -3.969 697 HA ASP 82 HA ASP 82 3.721 10.905 -5.924 698 1HB ASP 82 2HB ASP 82 3.810 10.281 -2.966 699 2HB ASP 82 3HB ASP 82 5.171 10.461 -4.069 700 H TYR 83 H TYR 83 4.135 8.987 -6.831 701 HA TYR 83 HA TYR 83 2.395 6.766 -6.423 702 1HB TYR 83 2HB TYR 83 4.872 7.289 -8.031 703 2HB TYR 83 3HB TYR 83 4.355 5.623 -7.799 704 HD1 TYR 83 HD1 TYR 83 3.678 5.144 -10.062 705 HD2 TYR 83 HD2 TYR 83 2.066 8.549 -7.990 706 HE1 TYR 83 HE1 TYR 83 1.984 5.431 -11.848 707 HE2 TYR 83 HE2 TYR 83 0.373 8.831 -9.775 708 HH TYR 83 HH TYR 83 -0.495 6.583 -11.860 709 H VAL 84 H VAL 84 2.616 5.024 -5.115 710 HA VAL 84 HA VAL 84 4.869 5.035 -3.246 711 HB VAL 84 HB VAL 84 3.571 3.251 -2.078 712 1HG1 VAL 84 1HG1 VAL 84 3.077 5.338 -1.181 713 2HG1 VAL 84 2HG1 VAL 84 2.422 5.955 -2.694 714 3HG1 VAL 84 3HG1 VAL 84 1.477 4.833 -1.716 715 1HG2 VAL 84 1HG2 VAL 84 1.297 3.853 -3.963 716 2HG2 VAL 84 2HG2 VAL 84 2.452 2.579 -4.344 717 3HG2 VAL 84 3HG2 VAL 84 1.494 2.487 -2.869 718 H GLU 85 H GLU 85 6.005 2.986 -2.814 719 HA GLU 85 HA GLU 85 5.951 1.067 -5.021 720 1HB GLU 85 2HB GLU 85 8.493 2.517 -4.226 721 2HB GLU 85 3HB GLU 85 8.332 1.279 -5.469 722 1HG GLU 85 2HG GLU 85 6.713 2.788 -6.670 723 2HG GLU 85 3HG GLU 85 7.087 4.045 -5.490 724 H ILE 86 H ILE 86 6.936 -0.907 -4.538 725 HA ILE 86 HA ILE 86 7.481 -1.292 -1.652 726 HB ILE 86 HB ILE 86 6.607 -3.359 -3.697 727 1HG1 ILE 86 2HG1 ILE 86 4.912 -2.283 -1.445 728 2HG1 ILE 86 3HG1 ILE 86 4.945 -1.467 -3.006 729 1HG2 ILE 86 1HG2 ILE 86 6.489 -4.887 -1.914 730 2HG2 ILE 86 2HG2 ILE 86 7.965 -3.993 -1.554 731 3HG2 ILE 86 3HG2 ILE 86 6.470 -3.612 -0.698 732 1HD1 ILE 86 1HD1 ILE 86 3.158 -3.349 -2.545 733 2HD1 ILE 86 2HD1 ILE 86 3.952 -3.258 -4.117 734 3HD1 ILE 86 3HD1 ILE 86 4.495 -4.436 -2.921 735 H VAL 87 H VAL 87 9.642 -0.372 -2.328 736 HA VAL 87 HA VAL 87 11.240 -2.194 -3.960 737 HB VAL 87 HB VAL 87 12.306 0.188 -2.472 738 1HG1 VAL 87 1HG1 VAL 87 13.772 0.253 -4.505 739 2HG1 VAL 87 2HG1 VAL 87 13.944 -1.237 -3.580 740 3HG1 VAL 87 3HG1 VAL 87 12.995 -1.223 -5.066 741 1HG2 VAL 87 1HG2 VAL 87 10.894 0.166 -5.160 742 2HG2 VAL 87 2HG2 VAL 87 10.248 0.878 -3.685 743 3HG2 VAL 87 3HG2 VAL 87 11.695 1.556 -4.430
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