NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
16475 | 2a63 | 6771 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 4.242 13.736 6.089 2 2H MET 1 2HT MET 1 5.317 14.610 5.077 3 3H MET 1 3HT MET 1 5.898 13.873 6.513 4 HA MET 1 HA MET 1 6.399 12.728 4.379 5 1HB MET 1 2HB MET 1 6.061 10.547 5.429 6 2HB MET 1 1HB MET 1 6.593 11.728 6.619 7 1HG MET 1 2HG MET 1 3.677 11.360 6.308 8 2HG MET 1 1HG MET 1 4.582 10.038 7.042 9 1HE MET 1 1HE MET 1 4.732 10.998 10.579 10 2HE MET 1 2HE MET 1 5.658 10.088 9.385 11 3HE MET 1 3HE MET 1 3.900 9.944 9.434 12 H GLU 2 H GLU 2 5.629 11.407 2.722 13 HA GLU 2 HA GLU 2 3.097 12.053 1.680 14 1HB GLU 2 2HB GLU 2 5.370 10.931 0.670 15 2HB GLU 2 1HB GLU 2 4.295 9.541 0.717 16 1HG GLU 2 2HG GLU 2 4.035 10.467 -1.416 17 2HG GLU 2 1HG GLU 2 2.610 10.971 -0.509 18 H GLN 3 H GLN 3 1.464 10.355 1.013 19 HA GLN 3 HA GLN 3 0.821 8.735 3.370 20 1HB GLN 3 2HB GLN 3 -0.741 10.265 1.417 21 2HB GLN 3 1HB GLN 3 -1.409 8.675 1.753 22 1HG GLN 3 2HG GLN 3 -0.679 9.872 4.222 23 2HG GLN 3 1HG GLN 3 -1.612 11.040 3.289 24 1HE2 GLN 3 1HE2 GLN 3 -3.668 10.991 3.795 25 2HE2 GLN 3 2HE2 GLN 3 -4.599 9.577 4.182 26 H ARG 4 H ARG 4 2.781 7.777 1.584 27 HA ARG 4 HA ARG 4 1.422 5.640 0.102 28 1HB ARG 4 2HB ARG 4 3.590 5.250 -0.974 29 2HB ARG 4 1HB ARG 4 3.051 6.910 -1.170 30 1HG ARG 4 2HG ARG 4 4.551 7.118 1.079 31 2HG ARG 4 1HG ARG 4 5.401 5.837 0.214 32 1HD ARG 4 2HD ARG 4 4.660 8.507 -0.974 33 2HD ARG 4 1HD ARG 4 6.241 8.119 -0.298 34 HE ARG 4 HE ARG 4 5.870 6.172 -2.132 35 1HH1 ARG 4 1HH1 ARG 4 5.651 9.652 -2.283 36 2HH1 ARG 4 2HH1 ARG 4 6.120 9.735 -3.947 37 1HH2 ARG 4 1HH2 ARG 4 6.486 6.279 -4.321 38 2HH2 ARG 4 2HH2 ARG 4 6.595 7.820 -5.105 39 H ILE 5 H ILE 5 0.856 4.395 1.914 40 HA ILE 5 HA ILE 5 2.863 3.427 3.724 41 HB ILE 5 HB ILE 5 0.075 2.339 3.361 42 1HG1 ILE 5 2HG1 ILE 5 0.789 4.396 5.401 43 2HG1 ILE 5 1HG1 ILE 5 0.432 4.895 3.764 44 1HG2 ILE 5 1HG2 ILE 5 1.270 0.881 4.742 45 2HG2 ILE 5 2HG2 ILE 5 0.415 1.934 5.869 46 3HG2 ILE 5 3HG2 ILE 5 2.128 2.197 5.544 47 1HD1 ILE 5 1HD1 ILE 5 -1.769 3.953 3.890 48 2HD1 ILE 5 2HD1 ILE 5 -1.513 5.010 5.280 49 3HD1 ILE 5 3HD1 ILE 5 -1.415 3.260 5.473 50 H THR 6 H THR 6 3.174 1.137 4.092 51 HA THR 6 HA THR 6 3.798 -0.208 1.600 52 HB THR 6 HB THR 6 4.649 -1.972 3.396 53 HG1 THR 6 1HG THR 6 5.212 -0.951 5.315 54 1HG2 THR 6 1HG2 THR 6 6.774 -0.743 3.610 55 2HG2 THR 6 2HG2 THR 6 6.002 0.660 2.873 56 3HG2 THR 6 3HG2 THR 6 6.182 -0.831 1.951 57 H LEU 7 H LEU 7 3.060 -2.257 0.997 58 HA LEU 7 HA LEU 7 0.363 -2.793 1.392 59 1HB LEU 7 2HB LEU 7 1.799 -3.611 -0.488 60 2HB LEU 7 1HB LEU 7 2.474 -4.800 0.609 61 HG LEU 7 HG LEU 7 0.151 -5.707 0.926 62 1HD1 LEU 7 1HD1 LEU 7 -0.435 -3.850 -1.375 63 2HD1 LEU 7 2HD1 LEU 7 -1.129 -3.778 0.245 64 3HD1 LEU 7 3HD1 LEU 7 -1.501 -5.139 -0.814 65 1HD2 LEU 7 1HD2 LEU 7 0.681 -5.916 -1.971 66 2HD2 LEU 7 2HD2 LEU 7 0.479 -7.179 -0.758 67 3HD2 LEU 7 3HD2 LEU 7 2.017 -6.330 -0.898 68 H LYS 8 H LYS 8 3.169 -3.893 3.168 69 HA LYS 8 HA LYS 8 1.856 -5.957 4.607 70 1HB LYS 8 2HB LYS 8 4.447 -5.286 4.256 71 2HB LYS 8 1HB LYS 8 4.177 -4.615 5.858 72 1HG LYS 8 2HG LYS 8 3.051 -7.115 6.044 73 2HG LYS 8 1HG LYS 8 4.459 -7.383 5.013 74 1HD LYS 8 2HD LYS 8 5.878 -6.277 6.692 75 2HD LYS 8 1HD LYS 8 4.464 -6.054 7.724 76 1HE LYS 8 2HE LYS 8 5.683 -7.981 8.485 77 2HE LYS 8 1HE LYS 8 4.166 -8.515 7.765 78 1HZ LYS 8 1HZ LYS 8 6.754 -8.487 6.314 79 2HZ LYS 8 2HZ LYS 8 5.301 -9.186 5.802 80 3HZ LYS 8 3HZ LYS 8 6.139 -9.847 7.114 81 H ASP 9 H ASP 9 2.835 -2.654 5.517 82 HA ASP 9 HA ASP 9 1.742 -2.661 8.088 83 1HB ASP 9 2HB ASP 9 2.079 -0.318 6.204 84 2HB ASP 9 1HB ASP 9 1.825 -0.204 7.942 85 H TYR 10 H TYR 10 0.351 -1.259 5.118 86 HA TYR 10 HA TYR 10 -2.109 -0.537 6.196 87 1HB TYR 10 2HB TYR 10 -1.066 -0.014 3.877 88 2HB TYR 10 1HB TYR 10 -1.859 -1.499 3.362 89 HD1 TYR 10 1HD TYR 10 -4.397 -1.670 3.788 90 HD2 TYR 10 2HD TYR 10 -2.244 1.997 3.896 91 HE1 TYR 10 1HE TYR 10 -6.497 -0.436 3.448 92 HE2 TYR 10 2HE TYR 10 -4.338 3.243 3.557 93 HH TYR 10 HH TYR 10 -6.814 2.832 3.982 94 H ALA 11 H ALA 11 -1.070 -3.600 4.776 95 HA ALA 11 HA ALA 11 -3.597 -4.845 4.740 96 1HB ALA 11 1HB ALA 11 -0.837 -6.045 4.900 97 2HB ALA 11 2HB ALA 11 -1.776 -5.733 3.440 98 3HB ALA 11 3HB ALA 11 -2.314 -6.958 4.589 99 H MET 12 H MET 12 -0.942 -5.084 7.106 100 HA MET 12 HA MET 12 -2.468 -6.663 8.916 101 1HB MET 12 2HB MET 12 0.239 -5.718 8.698 102 2HB MET 12 1HB MET 12 -0.356 -5.449 10.329 103 1HG MET 12 2HG MET 12 -0.690 -7.708 10.718 104 2HG MET 12 1HG MET 12 -0.708 -8.102 9.000 105 1HE MET 12 1HE MET 12 2.180 -7.314 12.044 106 2HE MET 12 2HE MET 12 1.333 -5.988 11.248 107 3HE MET 12 3HE MET 12 3.010 -6.338 10.832 108 H ARG 13 H ARG 13 -2.118 -3.288 8.367 109 HA ARG 13 HA ARG 13 -3.052 -2.498 10.983 110 1HB ARG 13 2HB ARG 13 -1.452 -1.136 9.621 111 2HB ARG 13 1HB ARG 13 -2.770 -0.800 8.499 112 1HG ARG 13 2HG ARG 13 -3.842 0.596 9.960 113 2HG ARG 13 1HG ARG 13 -3.161 -0.196 11.388 114 1HD ARG 13 2HD ARG 13 -0.925 0.738 10.687 115 2HD ARG 13 1HD ARG 13 -1.790 1.699 9.489 116 HE ARG 13 HE ARG 13 -2.485 3.096 11.163 117 1HH1 ARG 13 1HH1 ARG 13 -1.302 0.137 12.587 118 2HH1 ARG 13 2HH1 ARG 13 -1.384 0.739 14.209 119 1HH2 ARG 13 1HH2 ARG 13 -2.593 3.889 13.294 120 2HH2 ARG 13 2HH2 ARG 13 -2.115 2.870 14.610 121 H PHE 14 H PHE 14 -4.340 -1.706 7.752 122 HA PHE 14 HA PHE 14 -6.970 -1.335 8.809 123 1HB PHE 14 2HB PHE 14 -5.972 -1.337 5.959 124 2HB PHE 14 1HB PHE 14 -7.517 -0.725 6.520 125 HD1 PHE 14 1HD PHE 14 -7.615 1.312 7.905 126 HD2 PHE 14 2HD PHE 14 -3.978 -0.052 6.213 127 HE1 PHE 14 1HE PHE 14 -6.611 3.500 8.315 128 HE2 PHE 14 2HE PHE 14 -2.961 2.127 6.619 129 HZ PHE 14 HZ PHE 14 -4.289 3.889 7.668 130 H GLY 15 H GLY 15 -5.248 -3.854 7.103 131 1HA GLY 15 2HA GLY 15 -6.184 -6.123 7.513 132 2HA GLY 15 1HA GLY 15 -7.742 -5.445 7.060 133 H GLN 16 H GLN 16 -6.927 -7.664 5.774 134 HA GLN 16 HA GLN 16 -5.617 -6.903 3.292 135 1HB GLN 16 2HB GLN 16 -6.642 -9.532 4.359 136 2HB GLN 16 1HB GLN 16 -6.002 -9.350 2.731 137 1HG GLN 16 2HG GLN 16 -3.847 -8.952 3.482 138 2HG GLN 16 1HG GLN 16 -4.390 -8.498 5.097 139 1HE2 GLN 16 1HE2 GLN 16 -4.103 -11.214 2.866 140 2HE2 GLN 16 2HE2 GLN 16 -3.936 -12.434 4.090 141 H THR 17 H THR 17 -8.811 -7.543 4.516 142 HA THR 17 HA THR 17 -10.020 -7.799 1.922 143 HB THR 17 HB THR 17 -11.280 -7.361 4.638 144 HG1 THR 17 1HG THR 17 -10.620 -9.337 4.877 145 1HG2 THR 17 1HG2 THR 17 -12.820 -6.796 2.829 146 2HG2 THR 17 2HG2 THR 17 -13.310 -8.257 3.685 147 3HG2 THR 17 3HG2 THR 17 -12.540 -8.379 2.104 148 H LYS 18 H LYS 18 -9.935 -5.307 4.452 149 HA LYS 18 HA LYS 18 -11.550 -3.417 3.177 150 1HB LYS 18 2HB LYS 18 -10.530 -3.481 5.589 151 2HB LYS 18 1HB LYS 18 -9.219 -2.572 4.856 152 1HG LYS 18 2HG LYS 18 -11.210 -1.090 3.962 153 2HG LYS 18 1HG LYS 18 -12.020 -1.770 5.373 154 1HD LYS 18 2HD LYS 18 -10.490 -0.815 6.860 155 2HD LYS 18 1HD LYS 18 -9.296 -0.553 5.598 156 1HE LYS 18 2HE LYS 18 -10.320 1.551 6.258 157 2HE LYS 18 1HE LYS 18 -10.730 1.154 4.589 158 1HZ LYS 18 1HZ LYS 18 -12.850 0.206 5.506 159 2HZ LYS 18 2HZ LYS 18 -12.700 1.888 5.610 160 3HZ LYS 18 3HZ LYS 18 -12.460 0.933 6.984 161 H THR 19 H THR 19 -8.140 -4.150 2.817 162 HA THR 19 HA THR 19 -7.525 -1.841 1.251 163 HB THR 19 HB THR 19 -5.999 -4.445 1.330 164 HG1 THR 19 1HG THR 19 -5.271 -3.921 3.236 165 1HG2 THR 19 1HG2 THR 19 -4.823 -3.251 -0.191 166 2HG2 THR 19 2HG2 THR 19 -4.107 -2.598 1.282 167 3HG2 THR 19 3HG2 THR 19 -5.367 -1.696 0.440 168 H ALA 20 H ALA 20 -7.911 -5.288 0.429 169 HA ALA 20 HA ALA 20 -7.670 -5.023 -2.337 170 1HB ALA 20 1HB ALA 20 -8.137 -7.228 -2.417 171 2HB ALA 20 2HB ALA 20 -9.559 -7.075 -1.385 172 3HB ALA 20 3HB ALA 20 -7.948 -7.117 -0.667 173 H LYS 21 H LYS 21 -10.320 -4.283 -0.230 174 HA LYS 21 HA LYS 21 -12.330 -4.283 -2.272 175 1HB LYS 21 2HB LYS 21 -12.190 -3.727 0.610 176 2HB LYS 21 1HB LYS 21 -13.350 -2.734 -0.254 177 1HG LYS 21 2HG LYS 21 -13.570 -5.481 -1.075 178 2HG LYS 21 1HG LYS 21 -13.700 -5.341 0.680 179 1HD LYS 21 2HD LYS 21 -15.860 -4.907 0.244 180 2HD LYS 21 1HD LYS 21 -15.270 -3.282 -0.097 181 1HE LYS 21 2HE LYS 21 -15.670 -3.470 -2.300 182 2HE LYS 21 1HE LYS 21 -15.080 -5.133 -2.360 183 1HZ LYS 21 1HZ LYS 21 -17.610 -4.731 -0.996 184 2HZ LYS 21 2HZ LYS 21 -17.140 -5.956 -2.061 185 3HZ LYS 21 3HZ LYS 21 -17.630 -4.457 -2.665 186 H ASP 22 H ASP 22 -10.550 -1.745 -0.518 187 HA ASP 22 HA ASP 22 -11.720 0.409 -1.935 188 1HB ASP 22 2HB ASP 22 -9.581 0.038 0.036 189 2HB ASP 22 1HB ASP 22 -9.317 1.390 -1.069 190 H LEU 23 H LEU 23 -8.965 -1.646 -2.526 191 HA LEU 23 HA LEU 23 -7.894 0.013 -4.621 192 1HB LEU 23 2HB LEU 23 -7.222 -2.624 -3.416 193 2HB LEU 23 1HB LEU 23 -6.635 -2.293 -5.035 194 HG LEU 23 HG LEU 23 -5.908 -0.011 -3.707 195 1HD1 LEU 23 1HD1 LEU 23 -5.566 -2.324 -1.805 196 2HD1 LEU 23 2HD1 LEU 23 -6.590 -0.911 -1.554 197 3HD1 LEU 23 3HD1 LEU 23 -4.837 -0.729 -1.626 198 1HD2 LEU 23 1HD2 LEU 23 -4.199 -2.483 -3.857 199 2HD2 LEU 23 2HD2 LEU 23 -3.683 -0.798 -3.929 200 3HD2 LEU 23 3HD2 LEU 23 -4.600 -1.498 -5.264 201 H GLY 24 H GLY 24 -10.120 -2.655 -4.369 202 1HA GLY 24 2HA GLY 24 -11.690 -3.281 -5.984 203 2HA GLY 24 1HA GLY 24 -10.810 -2.322 -7.171 204 H VAL 25 H VAL 25 -9.156 -4.628 -5.164 205 HA VAL 25 HA VAL 25 -8.806 -6.357 -7.526 206 HB VAL 25 HB VAL 25 -6.646 -7.057 -6.435 207 1HG1 VAL 25 1HG1 VAL 25 -5.525 -4.779 -6.966 208 2HG1 VAL 25 2HG1 VAL 25 -7.146 -4.294 -7.463 209 3HG1 VAL 25 3HG1 VAL 25 -6.350 -5.656 -8.253 210 1HG2 VAL 25 1HG2 VAL 25 -7.573 -5.863 -4.216 211 2HG2 VAL 25 2HG2 VAL 25 -6.590 -4.553 -4.872 212 3HG2 VAL 25 3HG2 VAL 25 -5.857 -6.121 -4.534 213 H GLN 26 H GLN 26 -7.853 -8.606 -6.636 214 HA GLN 26 HA GLN 26 -9.929 -9.616 -4.839 215 1HB GLN 26 2HB GLN 26 -8.045 -11.105 -6.675 216 2HB GLN 26 1HB GLN 26 -9.319 -11.837 -5.711 217 1HG GLN 26 2HG GLN 26 -9.779 -9.789 -7.864 218 2HG GLN 26 1HG GLN 26 -9.903 -11.531 -8.094 219 1HE2 GLN 26 1HE2 GLN 26 -12.090 -10.686 -8.786 220 2HE2 GLN 26 2HE2 GLN 26 -13.320 -10.645 -7.569 221 H GLN 27 H GLN 27 -9.474 -10.771 -3.005 222 HA GLN 27 HA GLN 27 -7.198 -10.088 -1.544 223 1HB GLN 27 2HB GLN 27 -8.899 -12.529 -1.046 224 2HB GLN 27 1HB GLN 27 -7.969 -11.614 0.132 225 1HG GLN 27 2HG GLN 27 -9.471 -9.657 -0.379 226 2HG GLN 27 1HG GLN 27 -10.480 -10.781 -1.286 227 1HE2 GLN 27 1HE2 GLN 27 -11.650 -9.497 0.712 228 2HE2 GLN 27 2HE2 GLN 27 -11.910 -10.536 2.069 229 H SER 28 H SER 28 -7.671 -12.559 -3.878 230 HA SER 28 HA SER 28 -5.716 -14.403 -3.032 231 1HB SER 28 2HB SER 28 -7.217 -13.874 -5.536 232 2HB SER 28 1HB SER 28 -5.716 -14.788 -5.697 233 HG SER 28 HG SER 28 -6.520 -16.347 -4.369 234 H ALA 29 H ALA 29 -5.569 -11.577 -5.156 235 HA ALA 29 HA ALA 29 -2.853 -11.942 -5.911 236 1HB ALA 29 1HB ALA 29 -4.829 -10.424 -6.884 237 2HB ALA 29 2HB ALA 29 -3.123 -10.091 -7.188 238 3HB ALA 29 3HB ALA 29 -3.982 -9.209 -5.925 239 H ILE 30 H ILE 30 -4.456 -10.191 -3.313 240 HA ILE 30 HA ILE 30 -2.268 -8.680 -2.421 241 HB ILE 30 HB ILE 30 -4.439 -9.810 -0.658 242 1HG1 ILE 30 2HG1 ILE 30 -5.515 -8.746 -2.548 243 2HG1 ILE 30 1HG1 ILE 30 -5.660 -7.693 -1.147 244 1HG2 ILE 30 1HG2 ILE 30 -2.758 -8.822 0.665 245 2HG2 ILE 30 2HG2 ILE 30 -4.041 -7.619 0.545 246 3HG2 ILE 30 3HG2 ILE 30 -2.585 -7.457 -0.437 247 1HD1 ILE 30 1HD1 ILE 30 -5.066 -6.167 -2.710 248 2HD1 ILE 30 2HD1 ILE 30 -4.122 -7.326 -3.647 249 3HD1 ILE 30 3HD1 ILE 30 -3.460 -6.645 -2.161 250 H ASN 31 H ASN 31 -3.409 -11.898 -1.453 251 HA ASN 31 HA ASN 31 -1.476 -12.364 0.529 252 1HB ASN 31 2HB ASN 31 -3.672 -13.710 -0.380 253 2HB ASN 31 1HB ASN 31 -2.368 -14.730 -0.979 254 1HD2 ASN 31 1HD2 ASN 31 -3.324 -12.991 1.960 255 2HD2 ASN 31 2HD2 ASN 31 -2.836 -14.240 3.063 256 H LYS 32 H LYS 32 -1.449 -12.881 -2.950 257 HA LYS 32 HA LYS 32 0.983 -14.346 -2.990 258 1HB LYS 32 2HB LYS 32 -0.463 -12.856 -5.178 259 2HB LYS 32 1HB LYS 32 0.929 -13.898 -5.439 260 1HG LYS 32 2HG LYS 32 -1.658 -14.828 -4.216 261 2HG LYS 32 1HG LYS 32 -1.268 -14.959 -5.932 262 1HD LYS 32 2HD LYS 32 0.489 -16.109 -3.778 263 2HD LYS 32 1HD LYS 32 -0.837 -17.017 -4.507 264 1HE LYS 32 2HE LYS 32 1.296 -15.721 -6.175 265 2HE LYS 32 1HE LYS 32 1.510 -17.330 -5.486 266 1HZ LYS 32 1HZ LYS 32 -0.895 -17.566 -6.617 267 2HZ LYS 32 2HZ LYS 32 0.552 -17.969 -7.394 268 3HZ LYS 32 3HZ LYS 32 -0.170 -16.467 -7.681 269 H TRP 33 H TRP 33 0.178 -10.982 -2.980 270 HA TRP 33 HA TRP 33 2.599 -9.984 -4.035 271 1HB TRP 33 2HB TRP 33 0.381 -8.849 -2.383 272 2HB TRP 33 1HB TRP 33 1.764 -7.870 -2.851 273 HD1 TRP 33 HD TRP 33 1.501 -9.818 -5.699 274 HE1 TRP 33 1HE TRP 33 -0.037 -8.820 -7.518 275 HE3 TRP 33 3HE TRP 33 -1.047 -6.543 -2.807 276 HZ2 TRP 33 2HZ TRP 33 -2.088 -6.881 -7.670 277 HZ3 TRP 33 3HZ TRP 33 -2.797 -5.138 -3.835 278 HH2 TRP 33 HH TRP 33 -3.306 -5.309 -6.220 279 H ILE 34 H ILE 34 1.428 -10.502 -0.720 280 HA ILE 34 HA ILE 34 3.915 -9.593 0.436 281 HB ILE 34 HB ILE 34 1.661 -11.024 1.840 282 1HG1 ILE 34 2HG1 ILE 34 2.043 -8.051 1.419 283 2HG1 ILE 34 1HG1 ILE 34 0.814 -9.042 0.639 284 1HG2 ILE 34 1HG2 ILE 34 4.143 -9.681 2.676 285 2HG2 ILE 34 2HG2 ILE 34 3.232 -10.976 3.454 286 3HG2 ILE 34 3HG2 ILE 34 2.710 -9.300 3.630 287 1HD1 ILE 34 1HD1 ILE 34 0.908 -9.063 3.597 288 2HD1 ILE 34 2HD1 ILE 34 -0.472 -9.154 2.502 289 3HD1 ILE 34 3HD1 ILE 34 0.317 -7.604 2.802 290 H HIS 35 H HIS 35 2.510 -12.597 -0.563 291 HA HIS 35 HA HIS 35 4.030 -14.357 1.028 292 1HB HIS 35 2HB HIS 35 2.294 -14.545 -1.332 293 2HB HIS 35 1HB HIS 35 3.552 -15.771 -1.272 294 HD1 HIS 35 1HD HIS 35 2.425 -14.792 2.062 295 HD2 HIS 35 2HD HIS 35 1.275 -17.527 -0.846 296 HE1 HIS 35 1HE HIS 35 0.941 -16.443 3.243 297 HE2 HIS 35 2HE HIS 35 0.345 -18.148 1.488 298 H ALA 36 H ALA 36 4.711 -12.636 -1.897 299 HA ALA 36 HA ALA 36 7.297 -14.016 -2.135 300 1HB ALA 36 1HB ALA 36 6.174 -12.251 -4.268 301 2HB ALA 36 2HB ALA 36 5.592 -13.906 -4.078 302 3HB ALA 36 3HB ALA 36 7.297 -13.603 -4.410 303 H GLY 37 H GLY 37 6.179 -11.425 -0.612 304 1HA GLY 37 2HA GLY 37 7.128 -9.482 0.150 305 2HA GLY 37 1HA GLY 37 8.665 -10.148 -0.380 306 H ARG 38 H ARG 38 5.754 -9.123 -2.156 307 HA ARG 38 HA ARG 38 7.370 -7.813 -4.143 308 1HB ARG 38 2HB ARG 38 4.818 -8.910 -4.088 309 2HB ARG 38 1HB ARG 38 4.526 -7.182 -4.228 310 1HG ARG 38 2HG ARG 38 6.507 -7.584 -6.069 311 2HG ARG 38 1HG ARG 38 5.572 -9.077 -6.183 312 1HD ARG 38 2HD ARG 38 3.513 -7.616 -6.350 313 2HD ARG 38 1HD ARG 38 4.608 -6.251 -6.553 314 HE ARG 38 HE ARG 38 5.036 -6.949 -8.694 315 1HH1 ARG 38 1HH1 ARG 38 3.428 -9.513 -6.959 316 2HH1 ARG 38 2HH1 ARG 38 3.194 -10.490 -8.370 317 1HH2 ARG 38 1HH2 ARG 38 4.729 -8.232 -10.550 318 2HH2 ARG 38 2HH2 ARG 38 3.933 -9.763 -10.408 319 H LYS 39 H LYS 39 8.257 -5.894 -3.768 320 HA LYS 39 HA LYS 39 7.434 -4.117 -1.742 321 1HB LYS 39 2HB LYS 39 9.657 -4.368 -3.328 322 2HB LYS 39 1HB LYS 39 8.917 -2.910 -3.972 323 1HG LYS 39 2HG LYS 39 8.945 -1.884 -1.784 324 2HG LYS 39 1HG LYS 39 9.586 -3.367 -1.071 325 1HD LYS 39 2HD LYS 39 11.001 -1.846 -3.251 326 2HD LYS 39 1HD LYS 39 11.273 -1.543 -1.533 327 1HE LYS 39 2HE LYS 39 11.580 -4.255 -2.804 328 2HE LYS 39 1HE LYS 39 12.909 -3.107 -2.643 329 1HZ LYS 39 1HZ LYS 39 12.612 -3.144 -0.252 330 2HZ LYS 39 2HZ LYS 39 12.874 -4.712 -0.830 331 3HZ LYS 39 3HZ LYS 39 11.315 -4.221 -0.397 332 H ILE 40 H ILE 40 5.665 -2.915 -1.705 333 HA ILE 40 HA ILE 40 4.878 -1.420 -4.078 334 HB ILE 40 HB ILE 40 2.849 -3.095 -2.603 335 1HG1 ILE 40 2HG1 ILE 40 4.159 -3.595 -5.284 336 2HG1 ILE 40 1HG1 ILE 40 4.361 -4.568 -3.831 337 1HG2 ILE 40 1HG2 ILE 40 1.814 -1.189 -3.540 338 2HG2 ILE 40 2HG2 ILE 40 1.476 -2.521 -4.644 339 3HG2 ILE 40 3HG2 ILE 40 2.725 -1.342 -5.043 340 1HD1 ILE 40 1HD1 ILE 40 2.441 -4.843 -5.873 341 2HD1 ILE 40 2HD1 ILE 40 1.586 -4.361 -4.408 342 3HD1 ILE 40 3HD1 ILE 40 2.615 -5.794 -4.398 343 H PHE 41 H PHE 41 3.260 0.247 -3.596 344 HA PHE 41 HA PHE 41 2.935 0.901 -0.771 345 1HB PHE 41 2HB PHE 41 4.273 2.715 -2.781 346 2HB PHE 41 1HB PHE 41 3.635 3.279 -1.238 347 HD1 PHE 41 1HD PHE 41 6.212 1.228 -2.858 348 HD2 PHE 41 2HD PHE 41 4.771 2.820 0.816 349 HE1 PHE 41 1HE PHE 41 8.334 0.624 -1.769 350 HE2 PHE 41 2HE PHE 41 6.890 2.221 1.911 351 HZ PHE 41 HZ PHE 41 8.676 1.122 0.618 352 H LEU 42 H LEU 42 0.848 1.249 -0.491 353 HA LEU 42 HA LEU 42 -0.756 2.239 -2.723 354 1HB LEU 42 2HB LEU 42 -2.683 1.480 -1.505 355 2HB LEU 42 1HB LEU 42 -1.493 0.197 -1.553 356 HG LEU 42 HG LEU 42 -1.625 1.985 0.841 357 1HD1 LEU 42 1HD1 LEU 42 -3.783 0.350 -0.089 358 2HD1 LEU 42 2HD1 LEU 42 -3.682 1.347 1.361 359 3HD1 LEU 42 3HD1 LEU 42 -3.123 -0.324 1.400 360 1HD2 LEU 42 1HD2 LEU 42 -0.452 -0.604 0.087 361 2HD2 LEU 42 2HD2 LEU 42 -1.163 -0.536 1.699 362 3HD2 LEU 42 3HD2 LEU 42 0.105 0.602 1.247 363 H THR 43 H THR 43 -1.556 4.241 -2.792 364 HA THR 43 HA THR 43 -1.053 5.980 -0.492 365 HB THR 43 HB THR 43 -1.857 6.875 -3.252 366 HG1 THR 43 1HG THR 43 0.785 6.496 -2.303 367 1HG2 THR 43 1HG2 THR 43 -1.889 8.798 -2.073 368 2HG2 THR 43 2HG2 THR 43 -0.157 8.732 -2.403 369 3HG2 THR 43 3HG2 THR 43 -0.779 8.195 -0.842 370 H ILE 44 H ILE 44 -2.626 7.032 0.581 371 HA ILE 44 HA ILE 44 -5.372 6.234 0.016 372 HB ILE 44 HB ILE 44 -4.373 7.881 2.338 373 1HG1 ILE 44 2HG1 ILE 44 -4.761 4.886 2.139 374 2HG1 ILE 44 1HG1 ILE 44 -3.218 5.719 2.294 375 1HG2 ILE 44 1HG2 ILE 44 -6.941 6.451 1.732 376 2HG2 ILE 44 2HG2 ILE 44 -6.695 8.140 2.178 377 3HG2 ILE 44 3HG2 ILE 44 -6.472 6.869 3.380 378 1HD1 ILE 44 1HD1 ILE 44 -4.377 6.679 4.468 379 2HD1 ILE 44 2HD1 ILE 44 -3.547 5.123 4.456 380 3HD1 ILE 44 3HD1 ILE 44 -5.305 5.185 4.325 381 H ASN 45 H ASN 45 -6.879 7.532 -0.833 382 HA ASN 45 HA ASN 45 -6.100 10.220 -1.622 383 1HB ASN 45 2HB ASN 45 -8.549 8.566 -2.273 384 2HB ASN 45 1HB ASN 45 -8.235 10.177 -2.913 385 1HD2 ASN 45 1HD2 ASN 45 -8.499 7.512 -4.203 386 2HD2 ASN 45 2HD2 ASN 45 -7.059 7.333 -5.156 387 H ALA 46 H ALA 46 -8.048 11.847 -1.573 388 HA ALA 46 HA ALA 46 -8.759 12.121 1.235 389 1HB ALA 46 1HB ALA 46 -7.781 13.957 -0.323 390 2HB ALA 46 2HB ALA 46 -9.034 14.379 0.845 391 3HB ALA 46 3HB ALA 46 -9.453 14.142 -0.852 392 H ASP 47 H ASP 47 -10.150 10.529 -1.215 393 HA ASP 47 HA ASP 47 -12.880 11.376 -0.560 394 1HB ASP 47 2HB ASP 47 -13.170 9.607 -2.621 395 2HB ASP 47 1HB ASP 47 -13.050 11.354 -2.812 396 H GLY 48 H GLY 48 -10.600 8.847 -0.164 397 1HA GLY 48 2HA GLY 48 -11.120 7.285 1.665 398 2HA GLY 48 1HA GLY 48 -12.730 7.138 0.967 399 H SER 49 H SER 49 -10.410 7.318 -1.460 400 HA SER 49 HA SER 49 -10.600 4.429 -1.880 401 1HB SER 49 2HB SER 49 -10.750 6.687 -3.603 402 2HB SER 49 1HB SER 49 -9.380 5.709 -4.095 403 HG SER 49 HG SER 49 -10.900 3.886 -3.982 404 H VAL 50 H VAL 50 -8.631 3.448 -3.010 405 HA VAL 50 HA VAL 50 -6.089 4.602 -2.200 406 HB VAL 50 HB VAL 50 -6.467 1.768 -1.366 407 1HG1 VAL 50 1HG1 VAL 50 -4.898 2.599 0.447 408 2HG1 VAL 50 2HG1 VAL 50 -4.798 4.100 -0.473 409 3HG1 VAL 50 3HG1 VAL 50 -4.266 2.584 -1.200 410 1HG2 VAL 50 1HG2 VAL 50 -8.417 2.998 -0.412 411 2HG2 VAL 50 2HG2 VAL 50 -7.279 4.061 0.416 412 3HG2 VAL 50 3HG2 VAL 50 -7.319 2.341 0.802 413 H TYR 51 H TYR 51 -4.488 4.093 -3.585 414 HA TYR 51 HA TYR 51 -4.951 1.871 -5.463 415 1HB TYR 51 2HB TYR 51 -3.932 3.217 -7.248 416 2HB TYR 51 1HB TYR 51 -5.372 3.999 -6.602 417 HD1 TYR 51 1HD TYR 51 -1.674 4.080 -6.606 418 HD2 TYR 51 2HD TYR 51 -5.254 6.148 -5.602 419 HE1 TYR 51 1HE TYR 51 -0.372 6.126 -6.202 420 HE2 TYR 51 2HE TYR 51 -3.960 8.200 -5.198 421 HH TYR 51 HH TYR 51 -0.898 8.359 -4.612 422 H ALA 52 H ALA 52 -3.319 0.476 -5.690 423 HA ALA 52 HA ALA 52 -0.955 0.820 -4.077 424 1HB ALA 52 1HB ALA 52 -0.468 -1.474 -5.369 425 2HB ALA 52 2HB ALA 52 -2.218 -1.394 -5.571 426 3HB ALA 52 3HB ALA 52 -1.515 -1.369 -3.955 427 H GLU 53 H GLU 53 0.825 1.800 -4.744 428 HA GLU 53 HA GLU 53 1.288 2.157 -7.607 429 1HB GLU 53 2HB GLU 53 1.977 3.632 -5.172 430 2HB GLU 53 1HB GLU 53 3.311 3.507 -6.312 431 1HG GLU 53 2HG GLU 53 1.940 4.482 -8.058 432 2HG GLU 53 1HG GLU 53 0.564 4.552 -6.959 433 H GLU 54 H GLU 54 2.864 1.154 -8.702 434 HA GLU 54 HA GLU 54 4.594 -0.685 -7.212 435 1HB GLU 54 2HB GLU 54 3.027 -1.309 -9.246 436 2HB GLU 54 1HB GLU 54 4.388 -0.722 -10.192 437 1HG GLU 54 2HG GLU 54 5.793 -2.407 -9.462 438 2HG GLU 54 1HG GLU 54 4.816 -2.740 -8.032 439 H VAL 55 H VAL 55 6.789 -0.622 -7.351 440 HA VAL 55 HA VAL 55 7.966 1.862 -8.214 441 HB VAL 55 HB VAL 55 9.405 -0.580 -7.178 442 1HG1 VAL 55 1HG1 VAL 55 10.874 1.039 -8.195 443 2HG1 VAL 55 2HG1 VAL 55 11.075 1.090 -6.444 444 3HG1 VAL 55 3HG1 VAL 55 10.140 2.343 -7.261 445 1HG2 VAL 55 1HG2 VAL 55 9.286 0.582 -4.961 446 2HG2 VAL 55 2HG2 VAL 55 7.748 -0.049 -5.546 447 3HG2 VAL 55 3HG2 VAL 55 8.096 1.675 -5.669 448 H LYS 56 H LYS 56 9.763 2.034 -9.671 449 HA LYS 56 HA LYS 56 9.806 -0.083 -11.722 450 1HB LYS 56 2HB LYS 56 9.499 2.852 -11.949 451 2HB LYS 56 1HB LYS 56 10.561 2.096 -13.129 452 1HG LYS 56 2HG LYS 56 8.772 0.617 -13.829 453 2HG LYS 56 1HG LYS 56 7.702 1.306 -12.605 454 1HD LYS 56 2HD LYS 56 8.944 3.272 -14.397 455 2HD LYS 56 1HD LYS 56 7.846 2.142 -15.192 456 1HE LYS 56 2HE LYS 56 6.558 4.027 -14.522 457 2HE LYS 56 1HE LYS 56 6.147 2.700 -13.437 458 1HZ LYS 56 1HZ LYS 56 6.450 4.746 -12.212 459 2HZ LYS 56 2HZ LYS 56 8.012 4.932 -12.832 460 3HZ LYS 56 3HZ LYS 56 7.665 3.645 -11.794 461 HA PRO 57 HA PRO 57 14.077 0.268 -9.901 462 1HB PRO 57 2HB PRO 57 14.084 -2.511 -10.950 463 2HB PRO 57 1HB PRO 57 14.622 -1.899 -9.382 464 1HG PRO 57 2HG PRO 57 12.345 -3.268 -9.605 465 2HG PRO 57 1HG PRO 57 12.478 -1.887 -8.501 466 1HD PRO 57 2HD PRO 57 11.171 -2.052 -11.185 467 2HD PRO 57 1HD PRO 57 10.651 -1.180 -9.727 468 H ASP 58 H ASP 58 16.037 -1.167 -11.201 469 HA ASP 58 HA ASP 58 16.253 0.324 -13.668 470 1HB ASP 58 2HB ASP 58 18.068 -0.639 -11.751 471 2HB ASP 58 1HB ASP 58 18.426 -1.534 -13.231 472 HA PRO 59 HA PRO 59 14.781 -3.105 -16.123 473 1HB PRO 59 2HB PRO 59 15.318 -2.063 -18.564 474 2HB PRO 59 1HB PRO 59 13.958 -1.521 -17.575 475 1HG PRO 59 2HG PRO 59 16.654 -0.270 -17.934 476 2HG PRO 59 1HG PRO 59 15.058 0.503 -17.899 477 1HD PRO 59 2HD PRO 59 16.722 0.487 -15.759 478 2HD PRO 59 1HD PRO 59 14.954 0.478 -15.599 479 H SER 60 H SER 60 16.523 -4.484 -15.342 480 HA SER 60 HA SER 60 18.930 -4.550 -16.999 481 1HB SER 60 2HB SER 60 19.817 -6.108 -15.348 482 2HB SER 60 1HB SER 60 19.167 -4.686 -14.533 483 HG SER 60 HG SER 60 17.286 -5.898 -14.079 484 H ASN 61 H ASN 61 16.562 -6.920 -15.760 485 HA ASN 61 HA ASN 61 17.069 -8.546 -18.159 486 1HB ASN 61 2HB ASN 61 17.208 -9.341 -15.577 487 2HB ASN 61 1HB ASN 61 15.518 -9.705 -15.918 488 1HD2 ASN 61 1HD2 ASN 61 15.594 -11.871 -15.995 489 2HD2 ASN 61 2HD2 ASN 61 16.536 -12.780 -17.135 490 H LYS 62 H LYS 62 15.122 -9.839 -18.895 491 HA LYS 62 HA LYS 62 12.641 -8.285 -18.634 492 1HB LYS 62 2HB LYS 62 12.296 -8.865 -21.131 493 2HB LYS 62 1HB LYS 62 13.361 -7.531 -20.714 494 1HG LYS 62 2HG LYS 62 14.585 -8.631 -22.314 495 2HG LYS 62 1HG LYS 62 15.231 -9.334 -20.830 496 1HD LYS 62 2HD LYS 62 14.773 -11.325 -21.729 497 2HD LYS 62 1HD LYS 62 13.074 -10.954 -21.434 498 1HE LYS 62 2HE LYS 62 13.596 -9.635 -23.791 499 2HE LYS 62 1HE LYS 62 14.555 -11.107 -23.942 500 1HZ LYS 62 1HZ LYS 62 12.614 -11.935 -24.683 501 2HZ LYS 62 2HZ LYS 62 11.673 -10.768 -23.900 502 3HZ LYS 62 3HZ LYS 62 12.259 -12.100 -23.037 503 H LYS 63 H LYS 63 13.615 -10.859 -17.491 504 HA LYS 63 HA LYS 63 11.710 -12.728 -18.719 505 1HB LYS 63 2HB LYS 63 14.309 -13.141 -18.006 506 2HB LYS 63 1HB LYS 63 13.469 -13.719 -16.574 507 1HG LYS 63 2HG LYS 63 13.795 -15.581 -17.996 508 2HG LYS 63 1HG LYS 63 12.083 -15.162 -18.080 509 1HD LYS 63 2HD LYS 63 12.490 -13.957 -20.179 510 2HD LYS 63 1HD LYS 63 14.197 -14.395 -20.094 511 1HE LYS 63 2HE LYS 63 13.263 -15.966 -21.557 512 2HE LYS 63 1HE LYS 63 13.389 -16.817 -20.018 513 1HZ LYS 63 1HZ LYS 63 11.026 -15.984 -21.490 514 2HZ LYS 63 2HZ LYS 63 10.945 -15.804 -19.810 515 3HZ LYS 63 3HZ LYS 63 11.259 -17.323 -20.481 516 H THR 64 H THR 64 10.608 -14.223 -17.113 517 HA THR 64 HA THR 64 10.007 -12.955 -14.555 518 HB THR 64 HB THR 64 7.667 -13.850 -16.177 519 HG1 THR 64 1HG THR 64 8.757 -12.444 -17.576 520 1HG2 THR 64 1HG2 THR 64 7.295 -11.376 -14.840 521 2HG2 THR 64 2HG2 THR 64 8.038 -12.519 -13.719 522 3HG2 THR 64 3HG2 THR 64 6.526 -12.932 -14.531 523 H THR 65 H THR 65 10.171 -14.474 -13.057 524 HA THR 65 HA THR 65 9.411 -17.234 -13.759 525 HB THR 65 HB THR 65 11.055 -17.545 -11.607 526 HG1 THR 65 1HG THR 65 11.715 -15.419 -11.543 527 1HG2 THR 65 1HG2 THR 65 11.317 -17.897 -14.472 528 2HG2 THR 65 2HG2 THR 65 11.842 -18.934 -13.145 529 3HG2 THR 65 3HG2 THR 65 12.862 -17.596 -13.676 530 H ALA 66 H ALA 66 9.853 -15.145 -10.897 531 HA ALA 66 HA ALA 66 7.186 -15.660 -9.982 532 1HB ALA 66 1HB ALA 66 9.409 -17.277 -8.975 533 2HB ALA 66 2HB ALA 66 7.672 -17.570 -8.913 534 3HB ALA 66 3HB ALA 66 8.431 -16.522 -7.717 Start of MODEL 2 1 1H MET 1 1HT MET 1 2.894 16.985 1.441 2 2H MET 1 2HT MET 1 2.798 15.918 0.100 3 3H MET 1 3HT MET 1 4.118 15.812 1.192 4 HA MET 1 HA MET 1 2.433 15.347 2.952 5 1HB MET 1 2HB MET 1 0.512 16.126 1.637 6 2HB MET 1 1HB MET 1 0.795 14.855 0.455 7 1HG MET 1 2HG MET 1 0.565 13.329 2.610 8 2HG MET 1 1HG MET 1 -0.388 14.704 3.164 9 1HE MET 1 1HE MET 1 -3.238 14.888 2.174 10 2HE MET 1 2HE MET 1 -3.002 15.132 0.443 11 3HE MET 1 3HE MET 1 -1.914 15.902 1.598 12 H GLU 2 H GLU 2 2.222 13.588 -0.143 13 HA GLU 2 HA GLU 2 2.880 11.500 -0.756 14 1HB GLU 2 2HB GLU 2 5.057 12.635 0.663 15 2HB GLU 2 1HB GLU 2 4.941 10.952 1.160 16 1HG GLU 2 2HG GLU 2 5.737 10.222 -0.780 17 2HG GLU 2 1HG GLU 2 4.666 11.270 -1.709 18 H GLN 3 H GLN 3 0.951 10.531 -0.048 19 HA GLN 3 HA GLN 3 0.968 9.317 2.616 20 1HB GLN 3 2HB GLN 3 -1.044 10.509 1.096 21 2HB GLN 3 1HB GLN 3 -1.399 8.790 1.011 22 1HG GLN 3 2HG GLN 3 -1.900 8.641 3.215 23 2HG GLN 3 1HG GLN 3 -0.761 9.903 3.676 24 1HE2 GLN 3 1HE2 GLN 3 -2.690 10.459 5.024 25 2HE2 GLN 3 2HE2 GLN 3 -3.852 11.548 4.333 26 H ARG 4 H ARG 4 2.777 8.272 0.743 27 HA ARG 4 HA ARG 4 1.603 5.802 -0.262 28 1HB ARG 4 2HB ARG 4 4.477 6.717 -0.424 29 2HB ARG 4 1HB ARG 4 3.720 5.432 -1.356 30 1HG ARG 4 2HG ARG 4 2.807 6.859 -2.833 31 2HG ARG 4 1HG ARG 4 2.461 8.077 -1.604 32 1HD ARG 4 2HD ARG 4 4.490 9.086 -1.834 33 2HD ARG 4 1HD ARG 4 5.307 7.585 -2.274 34 HE ARG 4 HE ARG 4 4.879 8.037 -4.476 35 1HH1 ARG 4 1HH1 ARG 4 2.872 10.091 -2.493 36 2HH1 ARG 4 2HH1 ARG 4 2.310 11.041 -3.827 37 1HH2 ARG 4 1HH2 ARG 4 4.139 9.285 -6.231 38 2HH2 ARG 4 2HH2 ARG 4 3.028 10.584 -5.951 39 H ILE 5 H ILE 5 1.247 4.349 1.255 40 HA ILE 5 HA ILE 5 3.287 3.876 3.309 41 HB ILE 5 HB ILE 5 0.722 2.388 3.371 42 1HG1 ILE 5 2HG1 ILE 5 0.902 5.332 4.027 43 2HG1 ILE 5 1HG1 ILE 5 -0.021 4.606 2.716 44 1HG2 ILE 5 1HG2 ILE 5 2.819 3.230 5.196 45 2HG2 ILE 5 2HG2 ILE 5 1.658 1.912 5.343 46 3HG2 ILE 5 3HG2 ILE 5 1.207 3.543 5.836 47 1HD1 ILE 5 1HD1 ILE 5 -0.569 3.712 5.491 48 2HD1 ILE 5 2HD1 ILE 5 -1.654 3.830 4.106 49 3HD1 ILE 5 3HD1 ILE 5 -1.166 5.288 4.971 50 H THR 6 H THR 6 2.983 1.336 3.970 51 HA THR 6 HA THR 6 4.001 -0.075 1.634 52 HB THR 6 HB THR 6 4.641 -1.831 3.278 53 HG1 THR 6 1HG THR 6 3.897 -1.768 5.226 54 1HG2 THR 6 1HG2 THR 6 5.543 0.973 3.847 55 2HG2 THR 6 2HG2 THR 6 6.346 -0.260 2.874 56 3HG2 THR 6 3HG2 THR 6 6.249 -0.444 4.625 57 H LEU 7 H LEU 7 3.267 -2.210 1.075 58 HA LEU 7 HA LEU 7 0.405 -2.409 1.119 59 1HB LEU 7 2HB LEU 7 1.645 -3.027 -0.876 60 2HB LEU 7 1HB LEU 7 2.515 -4.261 0.015 61 HG LEU 7 HG LEU 7 0.271 -5.380 0.414 62 1HD1 LEU 7 1HD1 LEU 7 -0.560 -3.440 -1.738 63 2HD1 LEU 7 2HD1 LEU 7 -1.167 -3.496 -0.082 64 3HD1 LEU 7 3HD1 LEU 7 -1.504 -4.825 -1.190 65 1HD2 LEU 7 1HD2 LEU 7 0.681 -5.345 -2.507 66 2HD2 LEU 7 2HD2 LEU 7 0.643 -6.700 -1.381 67 3HD2 LEU 7 3HD2 LEU 7 2.098 -5.716 -1.526 68 H LYS 8 H LYS 8 3.075 -3.967 2.757 69 HA LYS 8 HA LYS 8 1.619 -6.147 3.819 70 1HB LYS 8 2HB LYS 8 4.078 -6.117 3.670 71 2HB LYS 8 1HB LYS 8 4.130 -4.831 4.869 72 1HG LYS 8 2HG LYS 8 3.220 -6.302 6.549 73 2HG LYS 8 1HG LYS 8 3.017 -7.586 5.357 74 1HD LYS 8 2HD LYS 8 5.193 -8.162 5.424 75 2HD LYS 8 1HD LYS 8 5.735 -6.486 5.532 76 1HE LYS 8 2HE LYS 8 4.377 -7.727 7.878 77 2HE LYS 8 1HE LYS 8 6.056 -8.146 7.544 78 1HZ LYS 8 1HZ LYS 8 6.773 -6.103 8.115 79 2HZ LYS 8 2HZ LYS 8 5.342 -6.060 9.014 80 3HZ LYS 8 3HZ LYS 8 5.410 -5.312 7.498 81 H ASP 9 H ASP 9 2.258 -2.876 4.948 82 HA ASP 9 HA ASP 9 1.171 -3.273 7.558 83 1HB ASP 9 2HB ASP 9 1.868 -0.826 5.947 84 2HB ASP 9 1HB ASP 9 1.110 -0.703 7.531 85 H TYR 10 H TYR 10 -0.078 -1.874 4.549 86 HA TYR 10 HA TYR 10 -2.540 -0.993 5.497 87 1HB TYR 10 2HB TYR 10 -1.477 -0.604 3.202 88 2HB TYR 10 1HB TYR 10 -2.155 -2.163 2.748 89 HD1 TYR 10 1HD TYR 10 -4.721 -2.444 3.157 90 HD2 TYR 10 2HD TYR 10 -2.746 1.315 2.904 91 HE1 TYR 10 1HE TYR 10 -6.863 -1.363 2.617 92 HE2 TYR 10 2HE TYR 10 -4.882 2.407 2.365 93 HH TYR 10 HH TYR 10 -7.669 0.673 1.501 94 H ALA 11 H ALA 11 -1.437 -4.205 4.774 95 HA ALA 11 HA ALA 11 -4.116 -5.320 4.776 96 1HB ALA 11 1HB ALA 11 -3.207 -7.184 3.889 97 2HB ALA 11 2HB ALA 11 -1.798 -7.135 4.947 98 3HB ALA 11 3HB ALA 11 -1.866 -6.099 3.521 99 H MET 12 H MET 12 -1.182 -5.630 6.779 100 HA MET 12 HA MET 12 -2.442 -7.174 8.787 101 1HB MET 12 2HB MET 12 0.176 -6.121 8.259 102 2HB MET 12 1HB MET 12 -0.251 -5.817 9.937 103 1HG MET 12 2HG MET 12 -1.025 -8.425 9.571 104 2HG MET 12 1HG MET 12 0.441 -8.306 8.602 105 1HE MET 12 1HE MET 12 2.684 -6.533 11.445 106 2HE MET 12 2HE MET 12 1.853 -6.048 9.966 107 3HE MET 12 3HE MET 12 2.976 -7.408 9.942 108 H ARG 13 H ARG 13 -2.320 -3.798 8.152 109 HA ARG 13 HA ARG 13 -3.088 -3.053 10.850 110 1HB ARG 13 2HB ARG 13 -1.542 -1.692 9.346 111 2HB ARG 13 1HB ARG 13 -2.991 -1.237 8.450 112 1HG ARG 13 2HG ARG 13 -3.788 0.082 10.131 113 2HG ARG 13 1HG ARG 13 -2.979 -0.851 11.398 114 1HD ARG 13 2HD ARG 13 -1.887 1.264 11.246 115 2HD ARG 13 1HD ARG 13 -0.805 0.054 10.558 116 HE ARG 13 HE ARG 13 -2.330 1.147 8.485 117 1HH1 ARG 13 1HH1 ARG 13 0.149 2.123 10.737 118 2HH1 ARG 13 2HH1 ARG 13 0.811 3.326 9.681 119 1HH2 ARG 13 1HH2 ARG 13 -1.462 2.729 7.095 120 2HH2 ARG 13 2HH2 ARG 13 -0.105 3.671 7.613 121 H PHE 14 H PHE 14 -4.482 -2.260 7.668 122 HA PHE 14 HA PHE 14 -7.070 -1.848 8.814 123 1HB PHE 14 2HB PHE 14 -6.070 -1.819 5.966 124 2HB PHE 14 1HB PHE 14 -7.676 -1.326 6.475 125 HD1 PHE 14 1HD PHE 14 -7.993 0.708 7.794 126 HD2 PHE 14 2HD PHE 14 -4.160 -0.424 6.385 127 HE1 PHE 14 1HE PHE 14 -7.161 2.956 8.264 128 HE2 PHE 14 2HE PHE 14 -3.317 1.814 6.854 129 HZ PHE 14 HZ PHE 14 -4.827 3.491 7.790 130 H GLY 15 H GLY 15 -5.577 -4.262 6.678 131 1HA GLY 15 2HA GLY 15 -6.375 -6.588 7.110 132 2HA GLY 15 1HA GLY 15 -7.999 -5.921 7.045 133 H GLN 16 H GLN 16 -6.674 -8.026 5.430 134 HA GLN 16 HA GLN 16 -6.055 -7.170 2.854 135 1HB GLN 16 2HB GLN 16 -7.373 -9.736 3.751 136 2HB GLN 16 1HB GLN 16 -6.716 -9.466 2.144 137 1HG GLN 16 2HG GLN 16 -4.724 -10.110 2.841 138 2HG GLN 16 1HG GLN 16 -4.703 -8.801 4.022 139 1HE2 GLN 16 1HE2 GLN 16 -5.123 -9.230 6.144 140 2HE2 GLN 16 2HE2 GLN 16 -5.293 -10.837 6.777 141 H THR 17 H THR 17 -9.135 -7.507 4.437 142 HA THR 17 HA THR 17 -10.830 -7.650 2.227 143 HB THR 17 HB THR 17 -11.330 -6.265 4.870 144 HG1 THR 17 1HG THR 17 -10.760 -8.422 5.169 145 1HG2 THR 17 1HG2 THR 17 -13.060 -6.803 2.584 146 2HG2 THR 17 2HG2 THR 17 -13.260 -5.683 3.931 147 3HG2 THR 17 3HG2 THR 17 -13.690 -7.383 4.127 148 H LYS 18 H LYS 18 -10.050 -4.720 4.116 149 HA LYS 18 HA LYS 18 -11.180 -2.921 2.282 150 1HB LYS 18 2HB LYS 18 -10.190 -2.700 4.794 151 2HB LYS 18 1HB LYS 18 -8.895 -1.948 3.876 152 1HG LYS 18 2HG LYS 18 -10.590 -0.454 2.829 153 2HG LYS 18 1HG LYS 18 -11.790 -1.135 3.932 154 1HD LYS 18 2HD LYS 18 -11.180 0.480 5.355 155 2HD LYS 18 1HD LYS 18 -9.707 -0.445 5.604 156 1HE LYS 18 2HE LYS 18 -8.668 1.431 4.951 157 2HE LYS 18 1HE LYS 18 -9.121 0.924 3.325 158 1HZ LYS 18 1HZ LYS 18 -9.740 3.214 3.711 159 2HZ LYS 18 2HZ LYS 18 -10.650 2.778 5.062 160 3HZ LYS 18 3HZ LYS 18 -11.130 2.271 3.520 161 H THR 19 H THR 19 -8.001 -4.359 2.482 162 HA THR 19 HA THR 19 -6.682 -2.621 0.687 163 HB THR 19 HB THR 19 -5.963 -5.522 0.974 164 HG1 THR 19 1HG THR 19 -6.039 -5.177 3.052 165 1HG2 THR 19 1HG2 THR 19 -3.781 -4.884 0.646 166 2HG2 THR 19 2HG2 THR 19 -4.076 -3.223 1.161 167 3HG2 THR 19 3HG2 THR 19 -4.648 -3.771 -0.415 168 H ALA 20 H ALA 20 -8.669 -5.469 0.234 169 HA ALA 20 HA ALA 20 -8.089 -5.566 -2.614 170 1HB ALA 20 1HB ALA 20 -10.240 -7.285 -1.650 171 2HB ALA 20 2HB ALA 20 -8.724 -7.500 -0.778 172 3HB ALA 20 3HB ALA 20 -8.768 -7.693 -2.531 173 H LYS 21 H LYS 21 -10.360 -4.113 -0.520 174 HA LYS 21 HA LYS 21 -12.440 -3.926 -2.550 175 1HB LYS 21 2HB LYS 21 -12.440 -3.933 0.238 176 2HB LYS 21 1HB LYS 21 -12.860 -2.280 -0.197 177 1HG LYS 21 2HG LYS 21 -14.880 -2.861 -0.980 178 2HG LYS 21 1HG LYS 21 -14.280 -4.346 -1.720 179 1HD LYS 21 2HD LYS 21 -14.290 -4.309 1.226 180 2HD LYS 21 1HD LYS 21 -15.880 -4.275 0.458 181 1HE LYS 21 2HE LYS 21 -14.250 -6.200 -0.875 182 2HE LYS 21 1HE LYS 21 -14.170 -6.493 0.861 183 1HZ LYS 21 1HZ LYS 21 -16.030 -7.604 -0.454 184 2HZ LYS 21 2HZ LYS 21 -16.760 -6.078 -0.506 185 3HZ LYS 21 3HZ LYS 21 -16.460 -6.821 0.984 186 H ASP 22 H ASP 22 -10.560 -1.607 -0.586 187 HA ASP 22 HA ASP 22 -11.350 0.692 -1.944 188 1HB ASP 22 2HB ASP 22 -9.232 -0.055 -0.053 189 2HB ASP 22 1HB ASP 22 -8.812 1.300 -1.104 190 H LEU 23 H LEU 23 -8.694 -1.544 -2.587 191 HA LEU 23 HA LEU 23 -7.651 0.048 -4.751 192 1HB LEU 23 2HB LEU 23 -7.011 -2.641 -3.602 193 2HB LEU 23 1HB LEU 23 -6.348 -2.169 -5.155 194 HG LEU 23 HG LEU 23 -5.685 -0.001 -3.677 195 1HD1 LEU 23 1HD1 LEU 23 -6.666 -1.402 -1.694 196 2HD1 LEU 23 2HD1 LEU 23 -5.186 -0.466 -1.489 197 3HD1 LEU 23 3HD1 LEU 23 -5.098 -2.206 -1.764 198 1HD2 LEU 23 1HD2 LEU 23 -4.191 -1.259 -5.116 199 2HD2 LEU 23 2HD2 LEU 23 -4.121 -2.564 -3.934 200 3HD2 LEU 23 3HD2 LEU 23 -3.445 -0.983 -3.543 201 H GLY 24 H GLY 24 -9.646 -2.848 -4.413 202 1HA GLY 24 2HA GLY 24 -11.370 -3.362 -5.981 203 2HA GLY 24 1HA GLY 24 -10.450 -2.513 -7.218 204 H VAL 25 H VAL 25 -9.413 -5.033 -4.947 205 HA VAL 25 HA VAL 25 -9.044 -6.869 -7.206 206 HB VAL 25 HB VAL 25 -6.826 -7.550 -6.213 207 1HG1 VAL 25 1HG1 VAL 25 -5.586 -5.786 -7.320 208 2HG1 VAL 25 2HG1 VAL 25 -6.999 -4.731 -7.269 209 3HG1 VAL 25 3HG1 VAL 25 -7.026 -6.195 -8.253 210 1HG2 VAL 25 1HG2 VAL 25 -7.248 -4.995 -4.675 211 2HG2 VAL 25 2HG2 VAL 25 -5.675 -5.767 -4.878 212 3HG2 VAL 25 3HG2 VAL 25 -6.968 -6.610 -4.026 213 H GLN 26 H GLN 26 -8.099 -9.053 -6.143 214 HA GLN 26 HA GLN 26 -10.030 -9.744 -4.054 215 1HB GLN 26 2HB GLN 26 -8.489 -11.485 -5.985 216 2HB GLN 26 1HB GLN 26 -9.576 -12.095 -4.745 217 1HG GLN 26 2HG GLN 26 -11.120 -10.268 -6.080 218 2HG GLN 26 1HG GLN 26 -10.150 -10.986 -7.364 219 1HE2 GLN 26 1HE2 GLN 26 -12.100 -11.891 -4.546 220 2HE2 GLN 26 2HE2 GLN 26 -12.770 -13.319 -5.250 221 H GLN 27 H GLN 27 -9.399 -11.077 -2.296 222 HA GLN 27 HA GLN 27 -7.018 -10.289 -1.043 223 1HB GLN 27 2HB GLN 27 -8.901 -12.575 -0.462 224 2HB GLN 27 1HB GLN 27 -7.555 -12.143 0.582 225 1HG GLN 27 2HG GLN 27 -8.639 -10.402 1.464 226 2HG GLN 27 1HG GLN 27 -9.300 -9.900 -0.092 227 1HE2 GLN 27 1HE2 GLN 27 -9.648 -12.420 2.375 228 2HE2 GLN 27 2HE2 GLN 27 -11.360 -12.562 2.238 229 H SER 28 H SER 28 -7.626 -12.739 -3.351 230 HA SER 28 HA SER 28 -5.614 -14.587 -2.677 231 1HB SER 28 2HB SER 28 -5.876 -15.441 -4.934 232 2HB SER 28 1HB SER 28 -7.463 -15.036 -4.283 233 HG SER 28 HG SER 28 -5.912 -13.568 -6.143 234 H ALA 29 H ALA 29 -5.600 -11.723 -4.760 235 HA ALA 29 HA ALA 29 -2.884 -12.068 -5.589 236 1HB ALA 29 1HB ALA 29 -3.116 -9.909 -6.638 237 2HB ALA 29 2HB ALA 29 -4.585 -9.580 -5.719 238 3HB ALA 29 3HB ALA 29 -4.571 -10.859 -6.934 239 H ILE 30 H ILE 30 -4.519 -10.247 -3.058 240 HA ILE 30 HA ILE 30 -2.389 -8.604 -2.273 241 HB ILE 30 HB ILE 30 -4.486 -9.761 -0.433 242 1HG1 ILE 30 2HG1 ILE 30 -5.611 -8.790 -2.346 243 2HG1 ILE 30 1HG1 ILE 30 -5.792 -7.711 -0.969 244 1HG2 ILE 30 1HG2 ILE 30 -2.638 -8.626 0.690 245 2HG2 ILE 30 2HG2 ILE 30 -4.142 -7.719 0.853 246 3HG2 ILE 30 3HG2 ILE 30 -2.914 -7.191 -0.299 247 1HD1 ILE 30 1HD1 ILE 30 -5.318 -6.280 -2.720 248 2HD1 ILE 30 2HD1 ILE 30 -4.121 -7.371 -3.420 249 3HD1 ILE 30 3HD1 ILE 30 -3.750 -6.486 -1.940 250 H ASN 31 H ASN 31 -3.401 -11.777 -1.015 251 HA ASN 31 HA ASN 31 -1.344 -12.051 0.872 252 1HB ASN 31 2HB ASN 31 -3.264 -13.888 -0.462 253 2HB ASN 31 1HB ASN 31 -1.859 -14.621 0.308 254 1HD2 ASN 31 1HD2 ASN 31 -3.329 -15.624 1.761 255 2HD2 ASN 31 2HD2 ASN 31 -3.975 -14.736 3.107 256 H LYS 32 H LYS 32 -1.463 -12.709 -2.563 257 HA LYS 32 HA LYS 32 0.954 -14.198 -2.666 258 1HB LYS 32 2HB LYS 32 -0.715 -12.827 -4.758 259 2HB LYS 32 1HB LYS 32 0.797 -13.630 -5.159 260 1HG LYS 32 2HG LYS 32 -1.419 -15.049 -3.719 261 2HG LYS 32 1HG LYS 32 -1.351 -14.948 -5.480 262 1HD LYS 32 2HD LYS 32 0.836 -16.022 -5.472 263 2HD LYS 32 1HD LYS 32 0.815 -16.081 -3.708 264 1HE LYS 32 2HE LYS 32 -1.041 -17.594 -3.719 265 2HE LYS 32 1HE LYS 32 -1.245 -17.410 -5.460 266 1HZ LYS 32 1HZ LYS 32 1.202 -18.275 -5.482 267 2HZ LYS 32 2HZ LYS 32 -0.091 -19.359 -5.359 268 3HZ LYS 32 3HZ LYS 32 0.780 -18.923 -3.976 269 H TRP 33 H TRP 33 0.147 -10.828 -2.790 270 HA TRP 33 HA TRP 33 2.546 -9.876 -3.921 271 1HB TRP 33 2HB TRP 33 0.386 -8.662 -2.244 272 2HB TRP 33 1HB TRP 33 1.743 -7.714 -2.827 273 HD1 TRP 33 HD TRP 33 1.380 -9.788 -5.554 274 HE1 TRP 33 1HE TRP 33 -0.249 -8.906 -7.352 275 HE3 TRP 33 3HE TRP 33 -1.099 -6.407 -2.720 276 HZ2 TRP 33 2HZ TRP 33 -2.334 -7.004 -7.513 277 HZ3 TRP 33 3HZ TRP 33 -2.910 -5.080 -3.743 278 HH2 TRP 33 HH TRP 33 -3.517 -5.378 -6.092 279 H ILE 34 H ILE 34 1.420 -10.122 -0.554 280 HA ILE 34 HA ILE 34 3.932 -9.228 0.517 281 HB ILE 34 HB ILE 34 1.701 -10.604 2.008 282 1HG1 ILE 34 2HG1 ILE 34 1.861 -7.682 2.193 283 2HG1 ILE 34 1HG1 ILE 34 1.440 -8.257 0.583 284 1HG2 ILE 34 1HG2 ILE 34 4.214 -9.911 2.851 285 2HG2 ILE 34 2HG2 ILE 34 2.811 -10.145 3.892 286 3HG2 ILE 34 3HG2 ILE 34 3.246 -8.525 3.348 287 1HD1 ILE 34 1HD1 ILE 34 0.005 -9.143 3.067 288 2HD1 ILE 34 2HD1 ILE 34 -0.487 -9.365 1.388 289 3HD1 ILE 34 3HD1 ILE 34 -0.486 -7.752 2.100 290 H HIS 35 H HIS 35 2.509 -12.274 -0.330 291 HA HIS 35 HA HIS 35 3.983 -14.004 1.292 292 1HB HIS 35 2HB HIS 35 2.399 -14.207 -1.173 293 2HB HIS 35 1HB HIS 35 3.654 -15.429 -1.020 294 HD1 HIS 35 1HD HIS 35 2.325 -14.437 2.228 295 HD2 HIS 35 2HD HIS 35 1.338 -17.180 -0.733 296 HE1 HIS 35 1HE HIS 35 0.762 -16.074 3.324 297 HE2 HIS 35 2HE HIS 35 0.106 -17.672 1.488 298 H ALA 36 H ALA 36 4.831 -12.284 -1.589 299 HA ALA 36 HA ALA 36 7.454 -13.618 -1.630 300 1HB ALA 36 1HB ALA 36 5.900 -13.644 -3.688 301 2HB ALA 36 2HB ALA 36 7.605 -13.257 -3.916 302 3HB ALA 36 3HB ALA 36 6.403 -11.967 -3.893 303 H GLY 37 H GLY 37 6.162 -11.010 -0.281 304 1HA GLY 37 2HA GLY 37 7.052 -9.053 0.523 305 2HA GLY 37 1HA GLY 37 8.620 -9.640 -0.010 306 H ARG 38 H ARG 38 5.640 -8.709 -1.730 307 HA ARG 38 HA ARG 38 7.095 -7.455 -3.833 308 1HB ARG 38 2HB ARG 38 4.212 -7.714 -3.097 309 2HB ARG 38 1HB ARG 38 4.673 -6.503 -4.286 310 1HG ARG 38 2HG ARG 38 5.853 -8.378 -5.521 311 2HG ARG 38 1HG ARG 38 4.995 -9.482 -4.443 312 1HD ARG 38 2HD ARG 38 3.455 -9.415 -6.101 313 2HD ARG 38 1HD ARG 38 2.937 -7.968 -5.237 314 HE ARG 38 HE ARG 38 3.665 -6.692 -6.997 315 1HH1 ARG 38 1HH1 ARG 38 4.939 -9.924 -7.330 316 2HH1 ARG 38 2HH1 ARG 38 5.543 -9.655 -8.931 317 1HH2 ARG 38 1HH2 ARG 38 4.459 -6.337 -9.102 318 2HH2 ARG 38 2HH2 ARG 38 5.274 -7.618 -9.936 319 H LYS 39 H LYS 39 8.183 -5.622 -3.563 320 HA LYS 39 HA LYS 39 7.650 -3.757 -1.494 321 1HB LYS 39 2HB LYS 39 9.529 -3.950 -3.779 322 2HB LYS 39 1HB LYS 39 9.205 -2.330 -3.173 323 1HG LYS 39 2HG LYS 39 10.186 -2.743 -1.141 324 2HG LYS 39 1HG LYS 39 9.906 -4.483 -1.238 325 1HD LYS 39 2HD LYS 39 12.103 -4.553 -1.734 326 2HD LYS 39 1HD LYS 39 11.550 -4.128 -3.355 327 1HE LYS 39 2HE LYS 39 12.382 -2.034 -3.229 328 2HE LYS 39 1HE LYS 39 11.963 -1.860 -1.526 329 1HZ LYS 39 1HZ LYS 39 14.188 -1.982 -1.298 330 2HZ LYS 39 2HZ LYS 39 14.418 -2.833 -2.742 331 3HZ LYS 39 3HZ LYS 39 13.908 -3.651 -1.352 332 H ILE 40 H ILE 40 5.346 -3.435 -1.943 333 HA ILE 40 HA ILE 40 4.876 -1.490 -4.107 334 HB ILE 40 HB ILE 40 2.838 -3.221 -2.696 335 1HG1 ILE 40 2HG1 ILE 40 4.056 -3.455 -5.457 336 2HG1 ILE 40 1HG1 ILE 40 4.297 -4.569 -4.114 337 1HG2 ILE 40 1HG2 ILE 40 1.777 -1.229 -3.409 338 2HG2 ILE 40 2HG2 ILE 40 1.382 -2.458 -4.609 339 3HG2 ILE 40 3HG2 ILE 40 2.617 -1.250 -4.960 340 1HD1 ILE 40 1HD1 ILE 40 2.726 -5.461 -5.734 341 2HD1 ILE 40 2HD1 ILE 40 1.693 -4.046 -5.527 342 3HD1 ILE 40 3HD1 ILE 40 1.934 -5.165 -4.186 343 H PHE 41 H PHE 41 3.345 0.243 -3.642 344 HA PHE 41 HA PHE 41 2.968 0.858 -0.813 345 1HB PHE 41 2HB PHE 41 4.376 2.680 -2.771 346 2HB PHE 41 1HB PHE 41 3.773 3.205 -1.201 347 HD1 PHE 41 1HD PHE 41 6.148 0.900 -2.858 348 HD2 PHE 41 2HD PHE 41 5.028 2.863 0.747 349 HE1 PHE 41 1HE PHE 41 8.261 0.186 -1.818 350 HE2 PHE 41 2HE PHE 41 7.139 2.155 1.794 351 HZ PHE 41 HZ PHE 41 8.760 0.814 0.512 352 H LEU 42 H LEU 42 0.946 1.504 -0.476 353 HA LEU 42 HA LEU 42 -0.650 2.365 -2.764 354 1HB LEU 42 2HB LEU 42 -2.524 2.148 -0.984 355 2HB LEU 42 1HB LEU 42 -1.824 0.706 -1.689 356 HG LEU 42 HG LEU 42 -2.230 0.677 0.802 357 1HD1 LEU 42 1HD1 LEU 42 0.038 -0.256 -0.707 358 2HD1 LEU 42 2HD1 LEU 42 -0.916 -1.077 0.529 359 3HD1 LEU 42 3HD1 LEU 42 0.430 -0.042 0.999 360 1HD2 LEU 42 1HD2 LEU 42 -0.884 1.843 2.283 361 2HD2 LEU 42 2HD2 LEU 42 -1.269 3.042 1.050 362 3HD2 LEU 42 3HD2 LEU 42 0.302 2.245 1.043 363 H THR 43 H THR 43 -2.006 4.211 -2.662 364 HA THR 43 HA THR 43 -1.056 6.257 -0.767 365 HB THR 43 HB THR 43 -2.193 6.790 -3.509 366 HG1 THR 43 1HG THR 43 -0.202 6.732 -4.314 367 1HG2 THR 43 1HG2 THR 43 -0.269 8.605 -2.200 368 2HG2 THR 43 2HG2 THR 43 -1.912 8.571 -1.559 369 3HG2 THR 43 3HG2 THR 43 -1.636 8.961 -3.257 370 H ILE 44 H ILE 44 -2.522 6.797 0.692 371 HA ILE 44 HA ILE 44 -5.339 6.255 0.209 372 HB ILE 44 HB ILE 44 -4.068 7.396 2.698 373 1HG1 ILE 44 2HG1 ILE 44 -4.786 4.508 2.163 374 2HG1 ILE 44 1HG1 ILE 44 -3.154 5.149 1.996 375 1HG2 ILE 44 1HG2 ILE 44 -6.530 5.780 2.813 376 2HG2 ILE 44 2HG2 ILE 44 -6.681 7.365 2.055 377 3HG2 ILE 44 3HG2 ILE 44 -6.078 7.232 3.707 378 1HD1 ILE 44 1HD1 ILE 44 -3.022 5.627 4.318 379 2HD1 ILE 44 2HD1 ILE 44 -3.627 3.979 4.147 380 3HD1 ILE 44 3HD1 ILE 44 -4.740 5.288 4.545 381 H ASN 45 H ASN 45 -6.513 7.742 -0.798 382 HA ASN 45 HA ASN 45 -5.744 10.519 -0.823 383 1HB ASN 45 2HB ASN 45 -8.162 9.110 -1.973 384 2HB ASN 45 1HB ASN 45 -7.767 10.805 -2.244 385 1HD2 ASN 45 1HD2 ASN 45 -7.260 7.602 -3.221 386 2HD2 ASN 45 2HD2 ASN 45 -6.042 7.908 -4.422 387 H ALA 46 H ALA 46 -7.623 12.164 -0.515 388 HA ALA 46 HA ALA 46 -8.511 11.867 2.225 389 1HB ALA 46 1HB ALA 46 -7.794 14.004 2.016 390 2HB ALA 46 2HB ALA 46 -9.474 14.267 1.548 391 3HB ALA 46 3HB ALA 46 -8.228 14.100 0.309 392 H ASP 47 H ASP 47 -9.768 10.728 -0.518 393 HA ASP 47 HA ASP 47 -12.540 11.410 0.144 394 1HB ASP 47 2HB ASP 47 -12.690 10.017 -2.204 395 2HB ASP 47 1HB ASP 47 -12.610 11.773 -2.082 396 H GLY 48 H GLY 48 -10.220 8.897 0.239 397 1HA GLY 48 2HA GLY 48 -10.710 7.001 1.680 398 2HA GLY 48 1HA GLY 48 -12.350 7.001 1.019 399 H SER 49 H SER 49 -9.944 7.595 -1.310 400 HA SER 49 HA SER 49 -10.250 4.866 -2.325 401 1HB SER 49 2HB SER 49 -10.350 7.423 -3.559 402 2HB SER 49 1HB SER 49 -8.987 6.543 -4.233 403 HG SER 49 HG SER 49 -10.310 5.075 -5.059 404 H VAL 50 H VAL 50 -8.600 3.496 -2.361 405 HA VAL 50 HA VAL 50 -5.890 4.584 -1.943 406 HB VAL 50 HB VAL 50 -6.585 1.790 -1.129 407 1HG1 VAL 50 1HG1 VAL 50 -4.253 3.097 -1.183 408 2HG1 VAL 50 2HG1 VAL 50 -4.624 1.845 0.002 409 3HG1 VAL 50 3HG1 VAL 50 -4.795 3.547 0.432 410 1HG2 VAL 50 1HG2 VAL 50 -7.638 4.223 0.099 411 2HG2 VAL 50 2HG2 VAL 50 -6.764 3.186 1.224 412 3HG2 VAL 50 3HG2 VAL 50 -8.128 2.542 0.311 413 H TYR 51 H TYR 51 -4.468 4.162 -3.510 414 HA TYR 51 HA TYR 51 -4.976 1.853 -5.267 415 1HB TYR 51 2HB TYR 51 -4.162 3.145 -7.173 416 2HB TYR 51 1HB TYR 51 -5.542 3.946 -6.429 417 HD1 TYR 51 1HD TYR 51 -1.906 4.087 -6.949 418 HD2 TYR 51 2HD TYR 51 -5.306 6.090 -5.359 419 HE1 TYR 51 1HE TYR 51 -0.589 6.154 -6.753 420 HE2 TYR 51 2HE TYR 51 -3.999 8.163 -5.160 421 HH TYR 51 HH TYR 51 -0.578 8.228 -5.583 422 H ALA 52 H ALA 52 -3.328 0.491 -5.532 423 HA ALA 52 HA ALA 52 -0.846 1.021 -4.145 424 1HB ALA 52 1HB ALA 52 -1.466 -1.149 -3.753 425 2HB ALA 52 2HB ALA 52 -0.374 -1.374 -5.119 426 3HB ALA 52 3HB ALA 52 -2.118 -1.371 -5.377 427 H GLU 53 H GLU 53 0.836 1.957 -5.075 428 HA GLU 53 HA GLU 53 1.047 1.962 -7.993 429 1HB GLU 53 2HB GLU 53 1.848 3.782 -5.841 430 2HB GLU 53 1HB GLU 53 3.092 3.555 -7.061 431 1HG GLU 53 2HG GLU 53 1.396 4.124 -8.793 432 2HG GLU 53 1HG GLU 53 0.277 4.519 -7.489 433 H GLU 54 H GLU 54 2.540 0.820 -9.051 434 HA GLU 54 HA GLU 54 4.407 -0.790 -7.491 435 1HB GLU 54 2HB GLU 54 2.859 -1.684 -9.357 436 2HB GLU 54 1HB GLU 54 4.021 -0.970 -10.467 437 1HG GLU 54 2HG GLU 54 5.668 -2.371 -8.847 438 2HG GLU 54 1HG GLU 54 4.221 -3.379 -8.804 439 H VAL 55 H VAL 55 6.548 -0.490 -7.463 440 HA VAL 55 HA VAL 55 7.640 1.869 -8.703 441 HB VAL 55 HB VAL 55 9.163 -0.244 -7.178 442 1HG1 VAL 55 1HG1 VAL 55 9.703 2.706 -7.488 443 2HG1 VAL 55 2HG1 VAL 55 10.447 1.452 -8.480 444 3HG1 VAL 55 3HG1 VAL 55 10.749 1.498 -6.742 445 1HG2 VAL 55 1HG2 VAL 55 7.212 0.540 -5.879 446 2HG2 VAL 55 2HG2 VAL 55 7.794 2.196 -6.051 447 3HG2 VAL 55 3HG2 VAL 55 8.749 1.013 -5.157 448 H LYS 56 H LYS 56 9.353 1.945 -10.193 449 HA LYS 56 HA LYS 56 9.712 -0.527 -11.758 450 1HB LYS 56 2HB LYS 56 8.470 1.557 -12.748 451 2HB LYS 56 1HB LYS 56 10.097 2.197 -12.944 452 1HG LYS 56 2HG LYS 56 10.244 -0.375 -13.972 453 2HG LYS 56 1HG LYS 56 8.680 0.232 -14.517 454 1HD LYS 56 2HD LYS 56 9.735 2.183 -15.485 455 2HD LYS 56 1HD LYS 56 11.303 1.686 -14.849 456 1HE LYS 56 2HE LYS 56 11.438 -0.145 -16.315 457 2HE LYS 56 1HE LYS 56 9.721 -0.064 -16.708 458 1HZ LYS 56 1HZ LYS 56 11.616 0.917 -18.277 459 2HZ LYS 56 2HZ LYS 56 11.303 2.294 -17.346 460 3HZ LYS 56 3HZ LYS 56 10.052 1.561 -18.216 461 HA PRO 57 HA PRO 57 13.878 0.416 -9.996 462 1HB PRO 57 2HB PRO 57 14.203 -2.439 -10.731 463 2HB PRO 57 1HB PRO 57 14.586 -1.617 -9.215 464 1HG PRO 57 2HG PRO 57 12.475 -3.240 -9.401 465 2HG PRO 57 1HG PRO 57 12.410 -1.754 -8.435 466 1HD PRO 57 2HD PRO 57 11.283 -2.301 -11.152 467 2HD PRO 57 1HD PRO 57 10.586 -1.372 -9.808 468 H ASP 58 H ASP 58 15.985 0.324 -10.995 469 HA ASP 58 HA ASP 58 15.866 0.754 -13.825 470 1HB ASP 58 2HB ASP 58 17.815 1.161 -11.668 471 2HB ASP 58 1HB ASP 58 18.545 0.704 -13.210 472 HA PRO 59 HA PRO 59 18.571 -3.186 -14.103 473 1HB PRO 59 2HB PRO 59 19.197 -4.562 -11.877 474 2HB PRO 59 1HB PRO 59 20.128 -3.152 -12.396 475 1HG PRO 59 2HG PRO 59 18.003 -3.353 -10.296 476 2HG PRO 59 1HG PRO 59 19.549 -2.486 -10.245 477 1HD PRO 59 2HD PRO 59 17.155 -1.277 -10.769 478 2HD PRO 59 1HD PRO 59 18.710 -0.676 -11.377 479 H SER 60 H SER 60 15.957 -3.224 -14.464 480 HA SER 60 HA SER 60 14.571 -5.221 -12.964 481 1HB SER 60 2HB SER 60 13.957 -3.876 -15.601 482 2HB SER 60 1HB SER 60 12.871 -5.024 -14.816 483 HG SER 60 HG SER 60 12.166 -3.231 -13.926 484 H ASN 61 H ASN 61 16.759 -5.299 -15.614 485 HA ASN 61 HA ASN 61 15.866 -7.826 -16.663 486 1HB ASN 61 2HB ASN 61 17.319 -5.808 -17.732 487 2HB ASN 61 1HB ASN 61 18.614 -6.905 -17.264 488 1HD2 ASN 61 1HD2 ASN 61 18.906 -8.785 -18.358 489 2HD2 ASN 61 2HD2 ASN 61 18.015 -9.213 -19.785 490 H LYS 62 H LYS 62 17.558 -9.622 -16.888 491 HA LYS 62 HA LYS 62 18.333 -10.398 -14.226 492 1HB LYS 62 2HB LYS 62 17.824 -11.711 -16.744 493 2HB LYS 62 1HB LYS 62 19.346 -12.270 -16.067 494 1HG LYS 62 2HG LYS 62 18.033 -13.731 -14.987 495 2HG LYS 62 1HG LYS 62 17.780 -12.382 -13.878 496 1HD LYS 62 2HD LYS 62 15.637 -12.115 -14.501 497 2HD LYS 62 1HD LYS 62 16.003 -12.374 -16.209 498 1HE LYS 62 2HE LYS 62 16.389 -14.865 -15.218 499 2HE LYS 62 1HE LYS 62 15.117 -14.278 -14.148 500 1HZ LYS 62 1HZ LYS 62 13.712 -13.855 -15.997 501 2HZ LYS 62 2HZ LYS 62 14.315 -15.422 -16.189 502 3HZ LYS 62 3HZ LYS 62 14.953 -14.152 -17.107 503 H LYS 63 H LYS 63 20.599 -11.882 -14.568 504 HA LYS 63 HA LYS 63 22.617 -9.829 -14.597 505 1HB LYS 63 2HB LYS 63 22.335 -12.127 -13.185 506 2HB LYS 63 1HB LYS 63 23.455 -12.657 -14.433 507 1HG LYS 63 2HG LYS 63 25.160 -11.466 -13.593 508 2HG LYS 63 1HG LYS 63 24.133 -10.095 -13.174 509 1HD LYS 63 2HD LYS 63 23.659 -12.514 -11.580 510 2HD LYS 63 1HD LYS 63 25.260 -11.799 -11.375 511 1HE LYS 63 2HE LYS 63 24.451 -10.027 -10.267 512 2HE LYS 63 1HE LYS 63 23.090 -9.843 -11.372 513 1HZ LYS 63 1HZ LYS 63 21.748 -11.059 -10.061 514 2HZ LYS 63 2HZ LYS 63 22.839 -10.624 -8.843 515 3HZ LYS 63 3HZ LYS 63 22.969 -12.134 -9.592 516 H THR 64 H THR 64 24.198 -9.494 -16.079 517 HA THR 64 HA THR 64 23.930 -10.947 -18.614 518 HB THR 64 HB THR 64 25.457 -8.385 -18.167 519 HG1 THR 64 1HG THR 64 23.269 -8.113 -17.533 520 1HG2 THR 64 1HG2 THR 64 25.577 -9.845 -20.337 521 2HG2 THR 64 2HG2 THR 64 25.468 -8.087 -20.423 522 3HG2 THR 64 3HG2 THR 64 24.027 -9.074 -20.674 523 H THR 65 H THR 65 25.173 -12.518 -16.906 524 HA THR 65 HA THR 65 28.061 -12.143 -17.289 525 HB THR 65 HB THR 65 26.597 -14.061 -15.466 526 HG1 THR 65 1HG THR 65 27.328 -12.629 -13.836 527 1HG2 THR 65 1HG2 THR 65 29.131 -14.385 -16.314 528 2HG2 THR 65 2HG2 THR 65 28.543 -14.882 -14.727 529 3HG2 THR 65 3HG2 THR 65 29.387 -13.344 -14.914 530 H ALA 66 H ALA 66 25.446 -14.476 -17.753 531 HA ALA 66 HA ALA 66 25.229 -16.282 -19.122 532 1HB ALA 66 1HB ALA 66 27.557 -15.350 -20.748 533 2HB ALA 66 2HB ALA 66 26.058 -14.423 -20.736 534 3HB ALA 66 3HB ALA 66 26.051 -16.103 -21.274 Start of MODEL 3 1 1H MET 1 1HT MET 1 2.555 16.815 0.379 2 2H MET 1 2HT MET 1 4.099 16.126 0.080 3 3H MET 1 3HT MET 1 3.872 17.178 1.417 4 HA MET 1 HA MET 1 3.929 15.054 2.284 5 1HB MET 1 2HB MET 1 1.335 16.465 2.061 6 2HB MET 1 1HB MET 1 1.263 14.823 2.688 7 1HG MET 1 2HG MET 1 3.016 17.002 3.797 8 2HG MET 1 1HG MET 1 1.436 16.557 4.438 9 1HE MET 1 1HE MET 1 3.471 16.049 6.989 10 2HE MET 1 2HE MET 1 2.464 14.619 7.212 11 3HE MET 1 3HE MET 1 1.768 16.089 6.530 12 H GLU 2 H GLU 2 3.765 12.885 2.036 13 HA GLU 2 HA GLU 2 2.222 11.890 -0.267 14 1HB GLU 2 2HB GLU 2 4.927 11.960 -0.235 15 2HB GLU 2 1HB GLU 2 4.651 10.387 0.502 16 1HG GLU 2 2HG GLU 2 4.680 9.705 -1.637 17 2HG GLU 2 1HG GLU 2 2.986 10.191 -1.582 18 H GLN 3 H GLN 3 1.131 9.980 -0.003 19 HA GLN 3 HA GLN 3 1.218 8.789 2.691 20 1HB GLN 3 2HB GLN 3 -0.998 9.894 1.183 21 2HB GLN 3 1HB GLN 3 -1.296 8.211 1.598 22 1HG GLN 3 2HG GLN 3 -0.647 10.448 3.501 23 2HG GLN 3 1HG GLN 3 -2.203 9.645 3.299 24 1HE2 GLN 3 1HE2 GLN 3 0.337 9.856 5.280 25 2HE2 GLN 3 2HE2 GLN 3 0.325 8.268 5.981 26 H ARG 4 H ARG 4 2.873 7.881 0.653 27 HA ARG 4 HA ARG 4 1.612 5.545 -0.530 28 1HB ARG 4 2HB ARG 4 3.868 5.173 -1.536 29 2HB ARG 4 1HB ARG 4 3.132 6.713 -1.946 30 1HG ARG 4 2HG ARG 4 4.935 7.771 -1.226 31 2HG ARG 4 1HG ARG 4 4.681 7.108 0.390 32 1HD ARG 4 2HD ARG 4 6.328 5.607 0.154 33 2HD ARG 4 1HD ARG 4 5.849 5.201 -1.493 34 HE ARG 4 HE ARG 4 7.001 7.679 -1.679 35 1HH1 ARG 4 1HH1 ARG 4 8.014 4.551 -0.507 36 2HH1 ARG 4 2HH1 ARG 4 9.682 4.806 -0.898 37 1HH2 ARG 4 1HH2 ARG 4 9.194 8.016 -2.195 38 2HH2 ARG 4 2HH2 ARG 4 10.352 6.773 -1.856 39 H ILE 5 H ILE 5 1.127 4.548 1.521 40 HA ILE 5 HA ILE 5 3.267 3.649 3.212 41 HB ILE 5 HB ILE 5 0.430 2.635 3.231 42 1HG1 ILE 5 2HG1 ILE 5 1.302 4.858 4.997 43 2HG1 ILE 5 1HG1 ILE 5 0.939 5.233 3.330 44 1HG2 ILE 5 1HG2 ILE 5 1.075 2.611 5.764 45 2HG2 ILE 5 2HG2 ILE 5 2.724 2.603 5.139 46 3HG2 ILE 5 3HG2 ILE 5 1.607 1.310 4.699 47 1HD1 ILE 5 1HD1 ILE 5 -1.282 4.860 3.579 48 2HD1 ILE 5 2HD1 ILE 5 -0.893 5.329 5.234 49 3HD1 ILE 5 3HD1 ILE 5 -1.045 3.622 4.814 50 H THR 6 H THR 6 3.502 1.373 3.766 51 HA THR 6 HA THR 6 3.971 -0.188 1.398 52 HB THR 6 HB THR 6 4.493 -1.899 3.457 53 HG1 THR 6 1HG THR 6 5.279 -0.714 5.164 54 1HG2 THR 6 1HG2 THR 6 6.819 -1.072 3.413 55 2HG2 THR 6 2HG2 THR 6 6.281 0.286 2.424 56 3HG2 THR 6 3HG2 THR 6 6.143 -1.364 1.812 57 H LEU 7 H LEU 7 3.071 -2.207 0.887 58 HA LEU 7 HA LEU 7 0.303 -2.452 1.316 59 1HB LEU 7 2HB LEU 7 1.484 -3.342 -0.656 60 2HB LEU 7 1HB LEU 7 2.252 -4.548 0.358 61 HG LEU 7 HG LEU 7 -0.125 -5.335 0.923 62 1HD1 LEU 7 1HD1 LEU 7 -0.736 -3.803 -1.600 63 2HD1 LEU 7 2HD1 LEU 7 -1.247 -3.326 0.020 64 3HD1 LEU 7 3HD1 LEU 7 -1.844 -4.827 -0.686 65 1HD2 LEU 7 1HD2 LEU 7 1.638 -6.318 -0.725 66 2HD2 LEU 7 2HD2 LEU 7 0.523 -5.742 -1.964 67 3HD2 LEU 7 3HD2 LEU 7 -0.024 -6.908 -0.759 68 H LYS 8 H LYS 8 3.064 -4.119 2.769 69 HA LYS 8 HA LYS 8 1.660 -6.028 4.247 70 1HB LYS 8 2HB LYS 8 4.115 -6.024 3.916 71 2HB LYS 8 1HB LYS 8 4.241 -4.650 5.006 72 1HG LYS 8 2HG LYS 8 4.378 -6.029 6.727 73 2HG LYS 8 1HG LYS 8 2.780 -6.671 6.346 74 1HD LYS 8 2HD LYS 8 3.620 -8.539 5.398 75 2HD LYS 8 1HD LYS 8 4.971 -7.677 4.658 76 1HE LYS 8 2HE LYS 8 6.344 -8.069 6.403 77 2HE LYS 8 1HE LYS 8 5.058 -7.874 7.592 78 1HZ LYS 8 1HZ LYS 8 4.242 -10.109 6.848 79 2HZ LYS 8 2HZ LYS 8 5.724 -10.121 7.665 80 3HZ LYS 8 3HZ LYS 8 5.685 -10.282 5.982 81 H ASP 9 H ASP 9 2.375 -2.658 4.931 82 HA ASP 9 HA ASP 9 1.515 -2.716 7.646 83 1HB ASP 9 2HB ASP 9 1.765 -0.384 5.736 84 2HB ASP 9 1HB ASP 9 1.547 -0.253 7.478 85 H TYR 10 H TYR 10 0.002 -1.413 4.693 86 HA TYR 10 HA TYR 10 -2.433 -0.695 5.841 87 1HB TYR 10 2HB TYR 10 -1.559 -0.101 3.531 88 2HB TYR 10 1HB TYR 10 -2.111 -1.688 3.010 89 HD1 TYR 10 1HD TYR 10 -4.640 -2.213 3.627 90 HD2 TYR 10 2HD TYR 10 -2.988 1.691 3.266 91 HE1 TYR 10 1HE TYR 10 -6.890 -1.303 3.233 92 HE2 TYR 10 2HE TYR 10 -5.233 2.612 2.871 93 HH TYR 10 HH TYR 10 -7.697 1.806 3.530 94 H ALA 11 H ALA 11 -1.281 -3.792 4.690 95 HA ALA 11 HA ALA 11 -3.818 -5.089 4.690 96 1HB ALA 11 1HB ALA 11 -1.146 -6.442 4.968 97 2HB ALA 11 2HB ALA 11 -1.756 -5.827 3.431 98 3HB ALA 11 3HB ALA 11 -2.635 -7.096 4.285 99 H MET 12 H MET 12 -1.176 -4.846 7.030 100 HA MET 12 HA MET 12 -2.521 -6.520 8.933 101 1HB MET 12 2HB MET 12 0.125 -5.451 8.584 102 2HB MET 12 1HB MET 12 -0.439 -5.129 10.218 103 1HG MET 12 2HG MET 12 -1.020 -7.840 9.396 104 2HG MET 12 1HG MET 12 0.699 -7.468 9.279 105 1HE MET 12 1HE MET 12 -1.652 -6.714 13.171 106 2HE MET 12 2HE MET 12 -2.407 -6.954 11.595 107 3HE MET 12 3HE MET 12 -1.455 -5.502 11.904 108 H ARG 13 H ARG 13 -2.363 -3.165 8.204 109 HA ARG 13 HA ARG 13 -3.307 -2.315 10.805 110 1HB ARG 13 2HB ARG 13 -1.761 -1.025 9.134 111 2HB ARG 13 1HB ARG 13 -3.285 -0.543 8.391 112 1HG ARG 13 2HG ARG 13 -3.923 0.127 10.836 113 2HG ARG 13 1HG ARG 13 -2.169 0.157 11.063 114 1HD ARG 13 2HD ARG 13 -3.006 1.501 8.622 115 2HD ARG 13 1HD ARG 13 -3.735 2.208 10.064 116 HE ARG 13 HE ARG 13 -0.965 1.803 10.466 117 1HH1 ARG 13 1HH1 ARG 13 -3.202 3.868 8.758 118 2HH1 ARG 13 2HH1 ARG 13 -2.126 5.225 8.737 119 1HH2 ARG 13 1HH2 ARG 13 0.450 3.587 10.438 120 2HH2 ARG 13 2HH2 ARG 13 -0.053 5.066 9.689 121 H PHE 14 H PHE 14 -4.599 -1.678 7.542 122 HA PHE 14 HA PHE 14 -7.247 -1.354 8.574 123 1HB PHE 14 2HB PHE 14 -6.234 -1.424 5.730 124 2HB PHE 14 1HB PHE 14 -7.799 -0.842 6.263 125 HD1 PHE 14 1HD PHE 14 -7.967 1.238 7.580 126 HD2 PHE 14 2HD PHE 14 -4.282 -0.067 5.942 127 HE1 PHE 14 1HE PHE 14 -7.034 3.468 7.917 128 HE2 PHE 14 2HE PHE 14 -3.336 2.156 6.280 129 HZ PHE 14 HZ PHE 14 -4.723 3.908 7.264 130 H GLY 15 H GLY 15 -5.500 -3.803 6.721 131 1HA GLY 15 2HA GLY 15 -6.232 -6.127 7.162 132 2HA GLY 15 1HA GLY 15 -7.877 -5.544 6.966 133 H GLN 16 H GLN 16 -5.891 -7.483 5.516 134 HA GLN 16 HA GLN 16 -5.466 -6.598 2.915 135 1HB GLN 16 2HB GLN 16 -5.447 -9.005 2.299 136 2HB GLN 16 1HB GLN 16 -4.463 -8.642 3.709 137 1HG GLN 16 2HG GLN 16 -6.851 -9.264 4.853 138 2HG GLN 16 1HG GLN 16 -6.836 -10.329 3.449 139 1HE2 GLN 16 1HE2 GLN 16 -5.184 -9.443 6.397 140 2HE2 GLN 16 2HE2 GLN 16 -4.265 -10.909 6.553 141 H THR 17 H THR 17 -8.376 -7.744 4.456 142 HA THR 17 HA THR 17 -9.871 -8.252 2.100 143 HB THR 17 HB THR 17 -10.830 -7.537 4.878 144 HG1 THR 17 1HG THR 17 -10.550 -10.089 3.681 145 1HG2 THR 17 1HG2 THR 17 -12.840 -8.870 4.207 146 2HG2 THR 17 2HG2 THR 17 -12.270 -8.745 2.542 147 3HG2 THR 17 3HG2 THR 17 -12.680 -7.287 3.444 148 H LYS 18 H LYS 18 -9.663 -5.444 4.264 149 HA LYS 18 HA LYS 18 -11.520 -3.858 2.830 150 1HB LYS 18 2HB LYS 18 -10.600 -3.586 5.249 151 2HB LYS 18 1HB LYS 18 -9.300 -2.695 4.479 152 1HG LYS 18 2HG LYS 18 -11.360 -1.447 3.350 153 2HG LYS 18 1HG LYS 18 -12.130 -1.962 4.851 154 1HD LYS 18 2HD LYS 18 -9.517 -0.479 4.734 155 2HD LYS 18 1HD LYS 18 -11.080 0.310 4.936 156 1HE LYS 18 2HE LYS 18 -11.360 -1.360 6.911 157 2HE LYS 18 1HE LYS 18 -9.609 -1.493 6.813 158 1HZ LYS 18 1HZ LYS 18 -11.250 0.731 7.705 159 2HZ LYS 18 2HZ LYS 18 -9.888 1.143 6.796 160 3HZ LYS 18 3HZ LYS 18 -9.717 0.245 8.219 161 H THR 19 H THR 19 -8.050 -4.318 2.600 162 HA THR 19 HA THR 19 -7.415 -2.123 0.986 163 HB THR 19 HB THR 19 -6.007 -4.711 0.531 164 HG1 THR 19 1HG THR 19 -6.149 -3.353 3.001 165 1HG2 THR 19 1HG2 THR 19 -4.499 -3.296 -0.250 166 2HG2 THR 19 2HG2 THR 19 -4.235 -2.768 1.412 167 3HG2 THR 19 3HG2 THR 19 -5.379 -1.907 0.383 168 H ALA 20 H ALA 20 -8.179 -5.470 0.029 169 HA ALA 20 HA ALA 20 -8.067 -5.077 -2.734 170 1HB ALA 20 1HB ALA 20 -8.729 -7.225 -2.891 171 2HB ALA 20 2HB ALA 20 -10.070 -7.004 -1.775 172 3HB ALA 20 3HB ALA 20 -8.443 -7.227 -1.152 173 H LYS 21 H LYS 21 -10.580 -4.372 -0.419 174 HA LYS 21 HA LYS 21 -12.670 -4.018 -2.328 175 1HB LYS 21 2HB LYS 21 -12.340 -3.796 0.553 176 2HB LYS 21 1HB LYS 21 -13.340 -2.498 -0.089 177 1HG LYS 21 2HG LYS 21 -14.430 -4.596 -1.363 178 2HG LYS 21 1HG LYS 21 -13.880 -5.382 0.119 179 1HD LYS 21 2HD LYS 21 -15.500 -4.429 1.328 180 2HD LYS 21 1HD LYS 21 -15.160 -2.834 0.653 181 1HE LYS 21 2HE LYS 21 -16.780 -4.985 -0.716 182 2HE LYS 21 1HE LYS 21 -17.460 -3.635 0.189 183 1HZ LYS 21 1HZ LYS 21 -16.260 -3.677 -2.453 184 2HZ LYS 21 2HZ LYS 21 -15.860 -2.340 -1.494 185 3HZ LYS 21 3HZ LYS 21 -17.480 -2.686 -1.836 186 H ASP 22 H ASP 22 -10.390 -1.856 -0.711 187 HA ASP 22 HA ASP 22 -11.500 0.503 -1.935 188 1HB ASP 22 2HB ASP 22 -9.417 -0.116 0.044 189 2HB ASP 22 1HB ASP 22 -9.035 1.257 -0.998 190 H LEU 23 H LEU 23 -8.919 -1.752 -2.593 191 HA LEU 23 HA LEU 23 -7.668 -0.097 -4.592 192 1HB LEU 23 2HB LEU 23 -7.239 -2.806 -3.464 193 2HB LEU 23 1HB LEU 23 -6.650 -2.526 -5.092 194 HG LEU 23 HG LEU 23 -5.669 -0.337 -3.786 195 1HD1 LEU 23 1HD1 LEU 23 -5.644 -2.650 -1.856 196 2HD1 LEU 23 2HD1 LEU 23 -6.376 -1.065 -1.612 197 3HD1 LEU 23 3HD1 LEU 23 -4.623 -1.219 -1.718 198 1HD2 LEU 23 1HD2 LEU 23 -3.536 -1.385 -3.982 199 2HD2 LEU 23 2HD2 LEU 23 -4.523 -1.926 -5.339 200 3HD2 LEU 23 3HD2 LEU 23 -4.260 -2.992 -3.959 201 H GLY 24 H GLY 24 -9.794 -2.935 -4.569 202 1HA GLY 24 2HA GLY 24 -11.520 -3.176 -6.221 203 2HA GLY 24 1HA GLY 24 -10.500 -2.303 -7.357 204 H VAL 25 H VAL 25 -9.253 -4.839 -5.307 205 HA VAL 25 HA VAL 25 -9.157 -6.650 -7.629 206 HB VAL 25 HB VAL 25 -6.903 -7.411 -6.745 207 1HG1 VAL 25 1HG1 VAL 25 -6.864 -6.231 -8.757 208 2HG1 VAL 25 2HG1 VAL 25 -5.728 -5.357 -7.730 209 3HG1 VAL 25 3HG1 VAL 25 -7.352 -4.720 -7.989 210 1HG2 VAL 25 1HG2 VAL 25 -6.544 -4.742 -5.512 211 2HG2 VAL 25 2HG2 VAL 25 -5.784 -6.284 -5.122 212 3HG2 VAL 25 3HG2 VAL 25 -7.427 -5.949 -4.577 213 H GLN 26 H GLN 26 -8.213 -8.889 -6.714 214 HA GLN 26 HA GLN 26 -10.120 -9.692 -4.675 215 1HB GLN 26 2HB GLN 26 -8.610 -11.055 -6.827 216 2HB GLN 26 1HB GLN 26 -8.934 -12.004 -5.382 217 1HG GLN 26 2HG GLN 26 -11.360 -10.861 -5.899 218 2HG GLN 26 1HG GLN 26 -10.720 -11.160 -7.514 219 1HE2 GLN 26 1HE2 GLN 26 -12.090 -12.806 -8.036 220 2HE2 GLN 26 2HE2 GLN 26 -12.070 -14.349 -7.258 221 H GLN 27 H GLN 27 -9.600 -10.526 -2.715 222 HA GLN 27 HA GLN 27 -7.278 -9.714 -1.436 223 1HB GLN 27 2HB GLN 27 -9.327 -11.808 -0.773 224 2HB GLN 27 1HB GLN 27 -7.940 -11.538 0.274 225 1HG GLN 27 2HG GLN 27 -9.233 -10.042 1.294 226 2HG GLN 27 1HG GLN 27 -8.876 -9.002 -0.084 227 1HE2 GLN 27 1HE2 GLN 27 -10.810 -7.912 0.019 228 2HE2 GLN 27 2HE2 GLN 27 -12.320 -8.642 -0.400 229 H SER 28 H SER 28 -7.836 -12.479 -3.406 230 HA SER 28 HA SER 28 -5.825 -14.191 -2.448 231 1HB SER 28 2HB SER 28 -6.107 -15.424 -4.456 232 2HB SER 28 1HB SER 28 -7.691 -14.734 -4.107 233 HG SER 28 HG SER 28 -7.374 -13.217 -5.685 234 H ALA 29 H ALA 29 -5.728 -11.402 -4.543 235 HA ALA 29 HA ALA 29 -3.067 -11.887 -5.505 236 1HB ALA 29 1HB ALA 29 -3.412 -10.132 -6.878 237 2HB ALA 29 2HB ALA 29 -4.118 -9.138 -5.605 238 3HB ALA 29 3HB ALA 29 -5.097 -10.362 -6.412 239 H ILE 30 H ILE 30 -4.531 -9.929 -2.960 240 HA ILE 30 HA ILE 30 -2.203 -8.508 -2.235 241 HB ILE 30 HB ILE 30 -4.700 -9.189 -0.681 242 1HG1 ILE 30 2HG1 ILE 30 -5.078 -6.719 -0.940 243 2HG1 ILE 30 1HG1 ILE 30 -3.657 -6.664 -1.980 244 1HG2 ILE 30 1HG2 ILE 30 -3.837 -7.312 0.864 245 2HG2 ILE 30 2HG2 ILE 30 -2.251 -7.708 0.201 246 3HG2 ILE 30 3HG2 ILE 30 -3.180 -8.939 1.059 247 1HD1 ILE 30 1HD1 ILE 30 -5.994 -8.445 -2.568 248 2HD1 ILE 30 2HD1 ILE 30 -4.705 -7.925 -3.652 249 3HD1 ILE 30 3HD1 ILE 30 -5.920 -6.769 -3.109 250 H ASN 31 H ASN 31 -3.405 -11.687 -1.439 251 HA ASN 31 HA ASN 31 -1.708 -12.170 0.775 252 1HB ASN 31 2HB ASN 31 -3.775 -13.545 -0.572 253 2HB ASN 31 1HB ASN 31 -2.366 -14.602 -0.618 254 1HD2 ASN 31 1HD2 ASN 31 -1.133 -14.107 1.723 255 2HD2 ASN 31 2HD2 ASN 31 -2.156 -14.550 3.053 256 H LYS 32 H LYS 32 -1.475 -12.956 -2.678 257 HA LYS 32 HA LYS 32 1.025 -14.278 -2.453 258 1HB LYS 32 2HB LYS 32 -0.329 -13.068 -4.864 259 2HB LYS 32 1HB LYS 32 1.077 -14.120 -4.922 260 1HG LYS 32 2HG LYS 32 -1.354 -15.105 -3.529 261 2HG LYS 32 1HG LYS 32 -1.358 -15.046 -5.293 262 1HD LYS 32 2HD LYS 32 0.970 -16.229 -5.023 263 2HD LYS 32 1HD LYS 32 0.318 -16.685 -3.447 264 1HE LYS 32 2HE LYS 32 -0.200 -18.448 -4.956 265 2HE LYS 32 1HE LYS 32 -1.699 -17.572 -4.646 266 1HZ LYS 32 1HZ LYS 32 -0.129 -17.765 -7.097 267 2HZ LYS 32 2HZ LYS 32 -0.876 -16.280 -6.787 268 3HZ LYS 32 3HZ LYS 32 -1.807 -17.688 -6.889 269 H TRP 33 H TRP 33 0.060 -10.979 -2.805 270 HA TRP 33 HA TRP 33 2.447 -9.932 -3.868 271 1HB TRP 33 2HB TRP 33 0.154 -8.797 -2.320 272 2HB TRP 33 1HB TRP 33 1.485 -7.787 -2.861 273 HD1 TRP 33 HD TRP 33 1.359 -9.945 -5.549 274 HE1 TRP 33 1HE TRP 33 -0.222 -9.186 -7.444 275 HE3 TRP 33 3HE TRP 33 -1.420 -6.631 -2.921 276 HZ2 TRP 33 2HZ TRP 33 -2.390 -7.398 -7.750 277 HZ3 TRP 33 3HZ TRP 33 -3.244 -5.423 -4.061 278 HH2 TRP 33 HH TRP 33 -3.720 -5.804 -6.429 279 H ILE 34 H ILE 34 1.245 -10.261 -0.540 280 HA ILE 34 HA ILE 34 3.666 -9.149 0.577 281 HB ILE 34 HB ILE 34 1.443 -10.560 2.049 282 1HG1 ILE 34 2HG1 ILE 34 1.686 -7.578 1.704 283 2HG1 ILE 34 1HG1 ILE 34 0.774 -8.562 0.563 284 1HG2 ILE 34 1HG2 ILE 34 3.569 -10.242 3.266 285 2HG2 ILE 34 2HG2 ILE 34 2.228 -9.344 3.977 286 3HG2 ILE 34 3HG2 ILE 34 3.430 -8.504 3.000 287 1HD1 ILE 34 1HD1 ILE 34 0.217 -8.040 3.455 288 2HD1 ILE 34 2HD1 ILE 34 -0.494 -9.416 2.612 289 3HD1 ILE 34 3HD1 ILE 34 -0.823 -7.776 2.054 290 H HIS 35 H HIS 35 2.350 -12.302 -0.098 291 HA HIS 35 HA HIS 35 3.976 -13.830 1.612 292 1HB HIS 35 2HB HIS 35 2.211 -14.325 -0.679 293 2HB HIS 35 1HB HIS 35 3.519 -15.490 -0.514 294 HD1 HIS 35 1HD HIS 35 2.373 -14.190 2.706 295 HD2 HIS 35 2HD HIS 35 1.350 -17.301 0.150 296 HE1 HIS 35 1HE HIS 35 0.981 -15.763 4.087 297 HE2 HIS 35 2HE HIS 35 0.441 -17.678 2.542 298 H ALA 36 H ALA 36 4.298 -13.197 -1.837 299 HA ALA 36 HA ALA 36 6.870 -14.353 -2.074 300 1HB ALA 36 1HB ALA 36 6.878 -13.558 -4.302 301 2HB ALA 36 2HB ALA 36 5.703 -12.294 -3.929 302 3HB ALA 36 3HB ALA 36 5.207 -13.987 -3.933 303 H GLY 37 H GLY 37 5.804 -11.303 -0.935 304 1HA GLY 37 2HA GLY 37 7.169 -9.778 0.223 305 2HA GLY 37 1HA GLY 37 8.579 -10.489 -0.547 306 H ARG 38 H ARG 38 5.775 -9.553 -2.394 307 HA ARG 38 HA ARG 38 7.284 -7.929 -4.141 308 1HB ARG 38 2HB ARG 38 5.045 -9.156 -4.552 309 2HB ARG 38 1HB ARG 38 4.299 -7.728 -3.849 310 1HG ARG 38 2HG ARG 38 4.331 -7.628 -6.286 311 2HG ARG 38 1HG ARG 38 5.290 -6.332 -5.568 312 1HD ARG 38 2HD ARG 38 6.900 -8.684 -6.032 313 2HD ARG 38 1HD ARG 38 6.102 -8.159 -7.514 314 HE ARG 38 HE ARG 38 7.170 -5.886 -6.377 315 1HH1 ARG 38 1HH1 ARG 38 8.380 -8.933 -7.575 316 2HH1 ARG 38 2HH1 ARG 38 9.915 -8.282 -8.046 317 1HH2 ARG 38 1HH2 ARG 38 9.188 -5.027 -6.998 318 2HH2 ARG 38 2HH2 ARG 38 10.374 -6.064 -7.717 319 H LYS 39 H LYS 39 8.146 -6.035 -3.618 320 HA LYS 39 HA LYS 39 7.157 -4.418 -1.481 321 1HB LYS 39 2HB LYS 39 9.484 -4.472 -3.223 322 2HB LYS 39 1HB LYS 39 8.898 -2.834 -2.973 323 1HG LYS 39 2HG LYS 39 8.838 -3.838 -0.439 324 2HG LYS 39 1HG LYS 39 10.242 -4.657 -1.126 325 1HD LYS 39 2HD LYS 39 10.340 -1.934 -1.929 326 2HD LYS 39 1HD LYS 39 10.022 -1.975 -0.193 327 1HE LYS 39 2HE LYS 39 11.950 -3.836 -0.344 328 2HE LYS 39 1HE LYS 39 12.410 -2.828 -1.716 329 1HZ LYS 39 1HZ LYS 39 13.379 -2.262 0.557 330 2HZ LYS 39 2HZ LYS 39 11.850 -1.646 0.934 331 3HZ LYS 39 3HZ LYS 39 12.733 -0.989 -0.351 332 H ILE 40 H ILE 40 5.264 -3.408 -1.714 333 HA ILE 40 HA ILE 40 4.885 -1.744 -4.114 334 HB ILE 40 HB ILE 40 2.662 -3.193 -2.678 335 1HG1 ILE 40 2HG1 ILE 40 4.059 -3.855 -5.280 336 2HG1 ILE 40 1HG1 ILE 40 4.062 -4.824 -3.810 337 1HG2 ILE 40 1HG2 ILE 40 1.401 -2.547 -4.765 338 2HG2 ILE 40 2HG2 ILE 40 2.761 -1.496 -5.161 339 3HG2 ILE 40 3HG2 ILE 40 1.831 -1.218 -3.688 340 1HD1 ILE 40 1HD1 ILE 40 1.663 -4.226 -5.524 341 2HD1 ILE 40 2HD1 ILE 40 1.664 -5.199 -4.053 342 3HD1 ILE 40 3HD1 ILE 40 2.556 -5.745 -5.474 343 H PHE 41 H PHE 41 3.430 0.093 -3.785 344 HA PHE 41 HA PHE 41 3.103 0.907 -0.991 345 1HB PHE 41 2HB PHE 41 4.491 2.541 -3.122 346 2HB PHE 41 1HB PHE 41 3.949 3.193 -1.579 347 HD1 PHE 41 1HD PHE 41 5.041 2.528 0.502 348 HD2 PHE 41 2HD PHE 41 6.433 1.151 -3.276 349 HE1 PHE 41 1HE PHE 41 7.164 1.844 1.538 350 HE2 PHE 41 2HE PHE 41 8.558 0.462 -2.246 351 HZ PHE 41 HZ PHE 41 8.927 0.809 0.164 352 H LEU 42 H LEU 42 1.027 1.346 -0.737 353 HA LEU 42 HA LEU 42 -0.537 2.294 -3.008 354 1HB LEU 42 2HB LEU 42 -2.427 1.979 -1.207 355 2HB LEU 42 1HB LEU 42 -1.772 0.617 -2.092 356 HG LEU 42 HG LEU 42 -2.116 0.234 0.351 357 1HD1 LEU 42 1HD1 LEU 42 0.140 -0.438 -1.266 358 2HD1 LEU 42 2HD1 LEU 42 -0.702 -1.406 -0.056 359 3HD1 LEU 42 3HD1 LEU 42 0.615 -0.338 0.430 360 1HD2 LEU 42 1HD2 LEU 42 -0.465 1.144 1.913 361 2HD2 LEU 42 2HD2 LEU 42 -1.472 2.403 1.200 362 3HD2 LEU 42 3HD2 LEU 42 0.176 2.163 0.627 363 H THR 43 H THR 43 -1.787 4.167 -2.956 364 HA THR 43 HA THR 43 -0.934 6.126 -0.932 365 HB THR 43 HB THR 43 -2.119 6.778 -3.625 366 HG1 THR 43 1HG THR 43 0.641 6.612 -3.007 367 1HG2 THR 43 1HG2 THR 43 -1.941 8.868 -2.939 368 2HG2 THR 43 2HG2 THR 43 -0.194 8.652 -2.841 369 3HG2 THR 43 3HG2 THR 43 -1.200 8.352 -1.424 370 H ILE 44 H ILE 44 -2.391 6.850 0.462 371 HA ILE 44 HA ILE 44 -5.165 6.075 0.174 372 HB ILE 44 HB ILE 44 -3.929 7.717 2.382 373 1HG1 ILE 44 2HG1 ILE 44 -4.274 4.717 2.172 374 2HG1 ILE 44 1HG1 ILE 44 -2.743 5.587 2.173 375 1HG2 ILE 44 1HG2 ILE 44 -6.416 6.014 2.367 376 2HG2 ILE 44 2HG2 ILE 44 -6.398 7.768 2.181 377 3HG2 ILE 44 3HG2 ILE 44 -5.836 7.035 3.685 378 1HD1 ILE 44 1HD1 ILE 44 -3.219 4.557 4.332 379 2HD1 ILE 44 2HD1 ILE 44 -4.704 5.501 4.454 380 3HD1 ILE 44 3HD1 ILE 44 -3.139 6.315 4.453 381 H ASN 45 H ASN 45 -6.734 7.310 -0.616 382 HA ASN 45 HA ASN 45 -6.149 10.048 -1.377 383 1HB ASN 45 2HB ASN 45 -8.680 8.445 -1.801 384 2HB ASN 45 1HB ASN 45 -8.257 9.964 -2.587 385 1HD2 ASN 45 1HD2 ASN 45 -8.908 8.029 -4.223 386 2HD2 ASN 45 2HD2 ASN 45 -7.519 7.333 -5.001 387 H ALA 46 H ALA 46 -8.000 11.671 -1.067 388 HA ALA 46 HA ALA 46 -8.474 11.886 1.770 389 1HB ALA 46 1HB ALA 46 -9.702 13.866 -0.033 390 2HB ALA 46 2HB ALA 46 -7.946 13.725 -0.123 391 3HB ALA 46 3HB ALA 46 -8.724 14.099 1.415 392 H ASP 47 H ASP 47 -10.080 10.279 -0.602 393 HA ASP 47 HA ASP 47 -12.730 10.860 0.507 394 1HB ASP 47 2HB ASP 47 -13.200 9.209 -1.622 395 2HB ASP 47 1HB ASP 47 -13.240 10.969 -1.687 396 H GLY 48 H GLY 48 -10.260 8.491 0.366 397 1HA GLY 48 2HA GLY 48 -10.400 6.780 2.134 398 2HA GLY 48 1HA GLY 48 -12.080 6.548 1.652 399 H SER 49 H SER 49 -10.160 7.076 -1.051 400 HA SER 49 HA SER 49 -10.250 4.235 -1.704 401 1HB SER 49 2HB SER 49 -10.630 6.633 -3.180 402 2HB SER 49 1HB SER 49 -9.261 5.775 -3.876 403 HG SER 49 HG SER 49 -11.540 5.243 -4.573 404 H VAL 50 H VAL 50 -8.471 3.029 -2.286 405 HA VAL 50 HA VAL 50 -5.844 4.317 -1.966 406 HB VAL 50 HB VAL 50 -6.139 1.501 -1.048 407 1HG1 VAL 50 1HG1 VAL 50 -4.042 3.148 -1.196 408 2HG1 VAL 50 2HG1 VAL 50 -4.184 1.885 0.027 409 3HG1 VAL 50 3HG1 VAL 50 -4.602 3.552 0.426 410 1HG2 VAL 50 1HG2 VAL 50 -7.820 2.107 0.343 411 2HG2 VAL 50 2HG2 VAL 50 -7.414 3.821 0.263 412 3HG2 VAL 50 3HG2 VAL 50 -6.486 2.744 1.306 413 H TYR 51 H TYR 51 -4.398 3.836 -3.506 414 HA TYR 51 HA TYR 51 -4.943 1.527 -5.251 415 1HB TYR 51 2HB TYR 51 -4.282 2.821 -7.194 416 2HB TYR 51 1HB TYR 51 -5.596 3.645 -6.361 417 HD1 TYR 51 1HD TYR 51 -1.956 3.693 -6.993 418 HD2 TYR 51 2HD TYR 51 -5.300 5.825 -5.454 419 HE1 TYR 51 1HE TYR 51 -0.596 5.739 -6.890 420 HE2 TYR 51 2HE TYR 51 -3.950 7.878 -5.346 421 HH TYR 51 HH TYR 51 -1.572 8.512 -5.207 422 H ALA 52 H ALA 52 -3.263 0.212 -5.606 423 HA ALA 52 HA ALA 52 -0.738 0.818 -4.322 424 1HB ALA 52 1HB ALA 52 -0.265 -1.576 -5.361 425 2HB ALA 52 2HB ALA 52 -2.026 -1.610 -5.443 426 3HB ALA 52 3HB ALA 52 -1.219 -1.367 -3.893 427 H GLU 53 H GLU 53 1.025 1.556 -5.309 428 HA GLU 53 HA GLU 53 1.118 1.455 -8.254 429 1HB GLU 53 2HB GLU 53 2.371 3.542 -8.212 430 2HB GLU 53 1HB GLU 53 0.832 3.739 -7.383 431 1HG GLU 53 2HG GLU 53 1.831 3.837 -5.288 432 2HG GLU 53 1HG GLU 53 3.325 3.100 -5.861 433 H GLU 54 H GLU 54 3.448 1.725 -9.075 434 HA GLU 54 HA GLU 54 5.251 0.084 -7.418 435 1HB GLU 54 2HB GLU 54 4.125 -0.782 -9.715 436 2HB GLU 54 1HB GLU 54 5.570 -0.016 -10.359 437 1HG GLU 54 2HG GLU 54 6.256 -1.625 -8.093 438 2HG GLU 54 1HG GLU 54 5.322 -2.575 -9.247 439 H VAL 55 H VAL 55 6.801 1.394 -6.699 440 HA VAL 55 HA VAL 55 7.767 3.575 -8.385 441 HB VAL 55 HB VAL 55 7.245 4.139 -6.077 442 1HG1 VAL 55 1HG1 VAL 55 9.321 2.981 -4.592 443 2HG1 VAL 55 2HG1 VAL 55 8.602 1.670 -5.527 444 3HG1 VAL 55 3HG1 VAL 55 7.593 2.654 -4.467 445 1HG2 VAL 55 1HG2 VAL 55 9.195 5.365 -5.560 446 2HG2 VAL 55 2HG2 VAL 55 9.180 5.208 -7.317 447 3HG2 VAL 55 3HG2 VAL 55 10.240 4.183 -6.348 448 H LYS 56 H LYS 56 8.845 2.171 -9.905 449 HA LYS 56 HA LYS 56 11.587 1.691 -9.147 450 1HB LYS 56 2HB LYS 56 9.939 -0.432 -8.797 451 2HB LYS 56 1HB LYS 56 10.404 -0.669 -10.475 452 1HG LYS 56 2HG LYS 56 12.691 -0.050 -8.820 453 2HG LYS 56 1HG LYS 56 11.813 -1.459 -8.224 454 1HD LYS 56 2HD LYS 56 12.490 -2.731 -9.936 455 2HD LYS 56 1HD LYS 56 12.136 -1.470 -11.119 456 1HE LYS 56 2HE LYS 56 14.563 -2.206 -10.903 457 2HE LYS 56 1HE LYS 56 14.243 -0.473 -10.851 458 1HZ LYS 56 1HZ LYS 56 14.752 -0.351 -8.642 459 2HZ LYS 56 2HZ LYS 56 15.796 -1.600 -9.102 460 3HZ LYS 56 3HZ LYS 56 14.337 -1.961 -8.326 461 HA PRO 57 HA PRO 57 11.925 3.076 -13.361 462 1HB PRO 57 2HB PRO 57 14.585 2.698 -13.698 463 2HB PRO 57 1HB PRO 57 13.925 4.021 -12.730 464 1HG PRO 57 2HG PRO 57 15.030 1.387 -11.832 465 2HG PRO 57 1HG PRO 57 15.295 3.003 -11.149 466 1HD PRO 57 2HD PRO 57 13.546 1.229 -10.080 467 2HD PRO 57 1HD PRO 57 13.296 2.984 -10.005 468 H ASP 58 H ASP 58 11.918 2.191 -15.382 469 HA ASP 58 HA ASP 58 13.117 -0.347 -15.959 470 1HB ASP 58 2HB ASP 58 10.850 -0.780 -14.734 471 2HB ASP 58 1HB ASP 58 10.130 -0.314 -16.277 472 HA PRO 59 HA PRO 59 13.324 1.698 -19.903 473 1HB PRO 59 2HB PRO 59 13.426 -1.081 -20.955 474 2HB PRO 59 1HB PRO 59 14.530 0.269 -21.234 475 1HG PRO 59 2HG PRO 59 15.216 -1.739 -19.623 476 2HG PRO 59 1HG PRO 59 15.655 -0.064 -19.234 477 1HD PRO 59 2HD PRO 59 13.502 -1.781 -18.076 478 2HD PRO 59 1HD PRO 59 14.546 -0.586 -17.279 479 H SER 60 H SER 60 11.101 2.392 -19.821 480 HA SER 60 HA SER 60 9.196 0.611 -21.170 481 1HB SER 60 2HB SER 60 7.457 2.175 -20.325 482 2HB SER 60 1HB SER 60 8.413 1.458 -19.028 483 HG SER 60 HG SER 60 9.461 3.357 -18.736 484 H ASN 61 H ASN 61 10.815 3.696 -21.407 485 HA ASN 61 HA ASN 61 9.316 4.417 -23.802 486 1HB ASN 61 2HB ASN 61 9.974 6.073 -21.957 487 2HB ASN 61 1HB ASN 61 11.607 5.967 -22.606 488 1HD2 ASN 61 1HD2 ASN 61 11.799 7.989 -23.395 489 2HD2 ASN 61 2HD2 ASN 61 10.815 8.633 -24.673 490 H LYS 62 H LYS 62 10.537 5.159 -25.730 491 HA LYS 62 HA LYS 62 13.163 3.965 -26.097 492 1HB LYS 62 2HB LYS 62 10.667 2.937 -27.338 493 2HB LYS 62 1HB LYS 62 12.081 3.049 -28.375 494 1HG LYS 62 2HG LYS 62 13.339 1.623 -26.897 495 2HG LYS 62 1HG LYS 62 12.005 1.592 -25.742 496 1HD LYS 62 2HD LYS 62 11.950 -0.446 -26.999 497 2HD LYS 62 1HD LYS 62 10.588 0.552 -27.514 498 1HE LYS 62 2HE LYS 62 11.584 1.076 -29.552 499 2HE LYS 62 1HE LYS 62 13.198 0.651 -28.981 500 1HZ LYS 62 1HZ LYS 62 12.163 -1.703 -28.784 501 2HZ LYS 62 2HZ LYS 62 12.668 -1.136 -30.295 502 3HZ LYS 62 3HZ LYS 62 11.026 -1.111 -29.890 503 H LYS 63 H LYS 63 13.126 6.495 -26.030 504 HA LYS 63 HA LYS 63 12.854 7.465 -28.800 505 1HB LYS 63 2HB LYS 63 12.589 8.996 -26.207 506 2HB LYS 63 1HB LYS 63 12.610 9.741 -27.800 507 1HG LYS 63 2HG LYS 63 10.603 8.364 -28.376 508 2HG LYS 63 1HG LYS 63 10.541 7.865 -26.684 509 1HD LYS 63 2HD LYS 63 9.312 9.684 -26.296 510 2HD LYS 63 1HD LYS 63 10.769 10.636 -26.586 511 1HE LYS 63 2HE LYS 63 9.455 11.612 -28.148 512 2HE LYS 63 1HE LYS 63 9.994 10.244 -29.120 513 1HZ LYS 63 1HZ LYS 63 7.557 10.647 -29.158 514 2HZ LYS 63 2HZ LYS 63 7.497 10.235 -27.519 515 3HZ LYS 63 3HZ LYS 63 7.986 9.088 -28.660 516 H THR 64 H THR 64 14.321 9.493 -29.115 517 HA THR 64 HA THR 64 16.957 8.955 -27.918 518 HB THR 64 HB THR 64 16.851 10.002 -30.695 519 HG1 THR 64 1HG THR 64 16.388 8.072 -31.582 520 1HG2 THR 64 1HG2 THR 64 18.791 8.830 -28.991 521 2HG2 THR 64 2HG2 THR 64 18.994 9.491 -30.613 522 3HG2 THR 64 3HG2 THR 64 18.577 7.790 -30.399 523 H THR 65 H THR 65 18.486 10.902 -28.652 524 HA THR 65 HA THR 65 17.090 13.453 -28.543 525 HB THR 65 HB THR 65 18.542 14.196 -26.617 526 HG1 THR 65 1HG THR 65 18.992 11.403 -26.422 527 1HG2 THR 65 1HG2 THR 65 16.771 11.915 -25.806 528 2HG2 THR 65 2HG2 THR 65 16.142 13.471 -26.348 529 3HG2 THR 65 3HG2 THR 65 17.154 13.383 -24.906 530 H ALA 66 H ALA 66 18.722 12.108 -30.512 531 HA ALA 66 HA ALA 66 21.268 13.511 -30.485 532 1HB ALA 66 1HB ALA 66 21.986 11.996 -31.997 533 2HB ALA 66 2HB ALA 66 20.468 12.009 -32.893 534 3HB ALA 66 3HB ALA 66 20.606 11.071 -31.406 Start of MODEL 4 1 1H MET 1 1HT MET 1 5.579 14.446 3.339 2 2H MET 1 2HT MET 1 5.408 15.545 4.648 3 3H MET 1 3HT MET 1 4.094 15.269 3.580 4 HA MET 1 HA MET 1 5.233 13.502 5.617 5 1HB MET 1 2HB MET 1 3.385 15.217 6.029 6 2HB MET 1 1HB MET 1 2.372 14.221 4.993 7 1HG MET 1 2HG MET 1 3.136 12.318 6.634 8 2HG MET 1 1HG MET 1 3.416 13.679 7.720 9 1HE MET 1 1HE MET 1 -0.374 11.515 7.156 10 2HE MET 1 2HE MET 1 1.078 11.151 8.087 11 3HE MET 1 3HE MET 1 1.148 11.190 6.326 12 H GLU 2 H GLU 2 3.550 13.632 2.548 13 HA GLU 2 HA GLU 2 2.972 12.031 1.041 14 1HB GLU 2 2HB GLU 2 5.227 10.831 2.535 15 2HB GLU 2 1HB GLU 2 4.230 9.707 1.622 16 1HG GLU 2 2HG GLU 2 6.053 10.376 0.249 17 2HG GLU 2 1HG GLU 2 4.585 11.111 -0.392 18 H GLN 3 H GLN 3 1.976 9.789 0.833 19 HA GLN 3 HA GLN 3 0.678 8.823 3.253 20 1HB GLN 3 2HB GLN 3 -0.665 10.710 1.939 21 2HB GLN 3 1HB GLN 3 -1.136 9.337 0.947 22 1HG GLN 3 2HG GLN 3 -2.440 8.451 2.551 23 2HG GLN 3 1HG GLN 3 -1.368 8.954 3.855 24 1HE2 GLN 3 1HE2 GLN 3 -3.740 10.154 1.534 25 2HE2 GLN 3 2HE2 GLN 3 -4.327 11.448 2.532 26 H ARG 4 H ARG 4 2.636 7.645 1.631 27 HA ARG 4 HA ARG 4 1.117 5.477 0.334 28 1HB ARG 4 2HB ARG 4 3.952 6.273 -0.319 29 2HB ARG 4 1HB ARG 4 2.919 5.162 -1.208 30 1HG ARG 4 2HG ARG 4 1.380 7.192 -1.547 31 2HG ARG 4 1HG ARG 4 2.784 8.147 -1.064 32 1HD ARG 4 2HD ARG 4 4.078 6.915 -2.849 33 2HD ARG 4 1HD ARG 4 2.533 6.281 -3.413 34 HE ARG 4 HE ARG 4 2.056 8.329 -4.323 35 1HH1 ARG 4 1HH1 ARG 4 4.756 8.660 -2.138 36 2HH1 ARG 4 2HH1 ARG 4 5.102 10.289 -2.613 37 1HH2 ARG 4 1HH2 ARG 4 2.511 10.469 -4.951 38 2HH2 ARG 4 2HH2 ARG 4 3.828 11.315 -4.210 39 H ILE 5 H ILE 5 0.972 4.322 2.314 40 HA ILE 5 HA ILE 5 3.359 3.554 3.723 41 HB ILE 5 HB ILE 5 0.719 2.164 4.048 42 1HG1 ILE 5 2HG1 ILE 5 1.070 4.449 5.804 43 2HG1 ILE 5 1HG1 ILE 5 0.965 4.926 4.125 44 1HG2 ILE 5 1HG2 ILE 5 1.656 2.555 6.522 45 2HG2 ILE 5 2HG2 ILE 5 3.180 2.571 5.633 46 3HG2 ILE 5 3HG2 ILE 5 2.113 1.171 5.529 47 1HD1 ILE 5 1HD1 ILE 5 -1.161 4.577 5.724 48 2HD1 ILE 5 2HD1 ILE 5 -1.037 2.970 5.007 49 3HD1 ILE 5 3HD1 ILE 5 -1.209 4.388 3.971 50 H THR 6 H THR 6 3.702 1.191 4.178 51 HA THR 6 HA THR 6 4.176 -0.145 1.688 52 HB THR 6 HB THR 6 4.764 -2.020 3.576 53 HG1 THR 6 1HG THR 6 4.717 -1.130 5.457 54 1HG2 THR 6 1HG2 THR 6 6.987 -0.409 3.706 55 2HG2 THR 6 2HG2 THR 6 6.257 0.013 2.157 56 3HG2 THR 6 3HG2 THR 6 6.673 -1.665 2.508 57 H LEU 7 H LEU 7 3.376 -2.164 1.018 58 HA LEU 7 HA LEU 7 0.616 -2.540 1.347 59 1HB LEU 7 2HB LEU 7 1.788 -3.291 -0.641 60 2HB LEU 7 1HB LEU 7 2.726 -4.429 0.306 61 HG LEU 7 HG LEU 7 0.472 -5.516 0.897 62 1HD1 LEU 7 1HD1 LEU 7 -1.211 -4.135 0.230 63 2HD1 LEU 7 2HD1 LEU 7 -1.070 -5.135 -1.215 64 3HD1 LEU 7 3HD1 LEU 7 -0.321 -3.541 -1.171 65 1HD2 LEU 7 1HD2 LEU 7 0.681 -6.995 -0.885 66 2HD2 LEU 7 2HD2 LEU 7 2.289 -6.282 -0.763 67 3HD2 LEU 7 3HD2 LEU 7 1.171 -5.727 -2.008 68 H LYS 8 H LYS 8 3.386 -4.184 2.814 69 HA LYS 8 HA LYS 8 2.012 -6.221 4.135 70 1HB LYS 8 2HB LYS 8 4.622 -5.492 3.933 71 2HB LYS 8 1HB LYS 8 4.285 -5.034 5.596 72 1HG LYS 8 2HG LYS 8 3.179 -7.534 5.443 73 2HG LYS 8 1HG LYS 8 4.600 -7.674 4.405 74 1HD LYS 8 2HD LYS 8 4.794 -6.429 7.126 75 2HD LYS 8 1HD LYS 8 4.847 -8.181 6.925 76 1HE LYS 8 2HE LYS 8 6.635 -7.482 5.063 77 2HE LYS 8 1HE LYS 8 6.824 -6.115 6.158 78 1HZ LYS 8 1HZ LYS 8 8.246 -7.491 7.186 79 2HZ LYS 8 2HZ LYS 8 7.568 -8.890 6.520 80 3HZ LYS 8 3HZ LYS 8 6.854 -8.165 7.871 81 H ASP 9 H ASP 9 2.985 -3.025 5.375 82 HA ASP 9 HA ASP 9 1.761 -3.266 7.888 83 1HB ASP 9 2HB ASP 9 2.521 -0.881 6.207 84 2HB ASP 9 1HB ASP 9 1.776 -0.698 7.792 85 H TYR 10 H TYR 10 0.517 -2.341 4.760 86 HA TYR 10 HA TYR 10 -1.882 -1.136 5.552 87 1HB TYR 10 2HB TYR 10 -0.777 -1.274 3.216 88 2HB TYR 10 1HB TYR 10 -1.642 -2.799 3.061 89 HD1 TYR 10 1HD TYR 10 -4.229 -2.638 3.660 90 HD2 TYR 10 2HD TYR 10 -1.804 0.639 2.442 91 HE1 TYR 10 1HE TYR 10 -6.241 -1.427 2.930 92 HE2 TYR 10 2HE TYR 10 -3.810 1.858 1.708 93 HH TYR 10 HH TYR 10 -6.938 0.929 2.559 94 H ALA 11 H ALA 11 -1.129 -4.526 4.826 95 HA ALA 11 HA ALA 11 -3.787 -5.458 5.225 96 1HB ALA 11 1HB ALA 11 -2.520 -6.864 3.894 97 2HB ALA 11 2HB ALA 11 -2.536 -7.716 5.438 98 3HB ALA 11 3HB ALA 11 -1.119 -6.782 4.962 99 H MET 12 H MET 12 -0.920 -5.290 7.291 100 HA MET 12 HA MET 12 -2.174 -6.633 9.472 101 1HB MET 12 2HB MET 12 0.456 -5.590 8.844 102 2HB MET 12 1HB MET 12 -0.005 -5.215 10.499 103 1HG MET 12 2HG MET 12 -0.261 -7.490 11.050 104 2HG MET 12 1HG MET 12 -0.207 -7.982 9.359 105 1HE MET 12 1HE MET 12 2.552 -6.044 8.452 106 2HE MET 12 2HE MET 12 1.769 -7.503 7.845 107 3HE MET 12 3HE MET 12 3.456 -7.555 8.359 108 H ARG 13 H ARG 13 -1.946 -3.366 8.396 109 HA ARG 13 HA ARG 13 -2.813 -2.277 10.949 110 1HB ARG 13 2HB ARG 13 -1.139 -1.065 9.611 111 2HB ARG 13 1HB ARG 13 -2.317 -0.890 8.309 112 1HG ARG 13 2HG ARG 13 -3.183 0.918 9.247 113 2HG ARG 13 1HG ARG 13 -3.407 0.081 10.789 114 1HD ARG 13 2HD ARG 13 -1.123 0.570 11.422 115 2HD ARG 13 1HD ARG 13 -0.814 1.310 9.852 116 HE ARG 13 HE ARG 13 -2.888 2.753 10.818 117 1HH1 ARG 13 1HH1 ARG 13 0.226 1.875 12.129 118 2HH1 ARG 13 2HH1 ARG 13 0.367 3.311 13.087 119 1HH2 ARG 13 1HH2 ARG 13 -2.705 4.641 12.080 120 2HH2 ARG 13 2HH2 ARG 13 -1.298 4.879 13.062 121 H PHE 14 H PHE 14 -3.985 -1.748 7.628 122 HA PHE 14 HA PHE 14 -6.615 -1.139 8.565 123 1HB PHE 14 2HB PHE 14 -5.503 -1.457 5.777 124 2HB PHE 14 1HB PHE 14 -7.070 -0.782 6.183 125 HD1 PHE 14 1HD PHE 14 -7.228 1.389 7.320 126 HD2 PHE 14 2HD PHE 14 -3.497 -0.178 6.059 127 HE1 PHE 14 1HE PHE 14 -6.219 3.598 7.577 128 HE2 PHE 14 2HE PHE 14 -2.477 2.020 6.319 129 HZ PHE 14 HZ PHE 14 -3.849 3.895 7.072 130 H GLY 15 H GLY 15 -5.107 -3.809 6.771 131 1HA GLY 15 2HA GLY 15 -6.049 -6.044 7.386 132 2HA GLY 15 1HA GLY 15 -7.626 -5.320 7.119 133 H GLN 16 H GLN 16 -6.198 -7.626 5.841 134 HA GLN 16 HA GLN 16 -5.433 -6.990 3.222 135 1HB GLN 16 2HB GLN 16 -6.138 -9.414 4.717 136 2HB GLN 16 1HB GLN 16 -6.499 -9.514 2.999 137 1HG GLN 16 2HG GLN 16 -4.148 -8.806 2.547 138 2HG GLN 16 1HG GLN 16 -3.836 -8.956 4.277 139 1HE2 GLN 16 1HE2 GLN 16 -2.293 -10.562 3.888 140 2HE2 GLN 16 2HE2 GLN 16 -2.753 -12.183 3.467 141 H THR 17 H THR 17 -8.592 -7.782 4.597 142 HA THR 17 HA THR 17 -10.040 -7.974 2.221 143 HB THR 17 HB THR 17 -10.990 -6.959 4.907 144 HG1 THR 17 1HG THR 17 -11.490 -9.096 5.311 145 1HG2 THR 17 1HG2 THR 17 -12.610 -6.528 3.117 146 2HG2 THR 17 2HG2 THR 17 -13.180 -7.729 4.273 147 3HG2 THR 17 3HG2 THR 17 -12.580 -8.240 2.697 148 H LYS 18 H LYS 18 -9.622 -5.154 4.359 149 HA LYS 18 HA LYS 18 -11.020 -3.339 2.736 150 1HB LYS 18 2HB LYS 18 -10.340 -3.055 5.169 151 2HB LYS 18 1HB LYS 18 -8.749 -2.618 4.575 152 1HG LYS 18 2HG LYS 18 -10.830 -1.114 3.245 153 2HG LYS 18 1HG LYS 18 -10.880 -0.914 4.997 154 1HD LYS 18 2HD LYS 18 -8.238 -0.674 4.579 155 2HD LYS 18 1HD LYS 18 -8.848 -0.047 3.047 156 1HE LYS 18 2HE LYS 18 -9.715 0.907 5.774 157 2HE LYS 18 1HE LYS 18 -8.516 1.710 4.760 158 1HZ LYS 18 1HZ LYS 18 -11.400 1.643 4.513 159 2HZ LYS 18 2HZ LYS 18 -10.550 1.521 3.061 160 3HZ LYS 18 3HZ LYS 18 -10.310 2.854 4.075 161 H THR 19 H THR 19 -7.735 -4.491 2.646 162 HA THR 19 HA THR 19 -6.566 -2.481 1.093 163 HB THR 19 HB THR 19 -5.921 -5.434 1.016 164 HG1 THR 19 1HG THR 19 -5.637 -4.997 3.083 165 1HG2 THR 19 1HG2 THR 19 -3.550 -4.213 0.867 166 2HG2 THR 19 2HG2 THR 19 -4.544 -3.031 0.017 167 3HG2 THR 19 3HG2 THR 19 -4.481 -4.700 -0.549 168 H ALA 20 H ALA 20 -8.232 -5.457 0.107 169 HA ALA 20 HA ALA 20 -7.964 -4.808 -2.697 170 1HB ALA 20 1HB ALA 20 -8.557 -6.946 -3.106 171 2HB ALA 20 2HB ALA 20 -9.832 -6.939 -1.888 172 3HB ALA 20 3HB ALA 20 -8.151 -7.160 -1.402 173 H LYS 21 H LYS 21 -10.440 -4.663 -0.215 174 HA LYS 21 HA LYS 21 -12.650 -4.200 -1.881 175 1HB LYS 21 2HB LYS 21 -12.360 -4.608 0.761 176 2HB LYS 21 1HB LYS 21 -12.590 -2.864 0.767 177 1HG LYS 21 2HG LYS 21 -14.770 -3.033 0.342 178 2HG LYS 21 1HG LYS 21 -14.520 -4.247 -0.913 179 1HD LYS 21 2HD LYS 21 -15.620 -5.541 0.599 180 2HD LYS 21 1HD LYS 21 -13.980 -5.757 1.214 181 1HE LYS 21 2HE LYS 21 -16.010 -3.756 2.216 182 2HE LYS 21 1HE LYS 21 -15.560 -5.259 3.019 183 1HZ LYS 21 1HZ LYS 21 -14.360 -3.486 4.032 184 2HZ LYS 21 2HZ LYS 21 -13.830 -2.896 2.541 185 3HZ LYS 21 3HZ LYS 21 -13.250 -4.377 3.121 186 H ASP 22 H ASP 22 -10.130 -2.098 -0.720 187 HA ASP 22 HA ASP 22 -11.520 0.301 -1.577 188 1HB ASP 22 2HB ASP 22 -9.168 -0.318 0.063 189 2HB ASP 22 1HB ASP 22 -8.975 1.101 -0.969 190 H LEU 23 H LEU 23 -8.941 -1.802 -2.651 191 HA LEU 23 HA LEU 23 -8.089 -0.035 -4.757 192 1HB LEU 23 2HB LEU 23 -7.142 -2.438 -3.527 193 2HB LEU 23 1HB LEU 23 -7.216 -2.682 -5.262 194 HG LEU 23 HG LEU 23 -6.002 -0.128 -4.601 195 1HD1 LEU 23 1HD1 LEU 23 -3.957 -0.972 -3.621 196 2HD1 LEU 23 2HD1 LEU 23 -4.625 -2.603 -3.573 197 3HD1 LEU 23 3HD1 LEU 23 -5.329 -1.332 -2.574 198 1HD2 LEU 23 1HD2 LEU 23 -5.448 -2.514 -6.291 199 2HD2 LEU 23 2HD2 LEU 23 -4.119 -1.409 -5.931 200 3HD2 LEU 23 3HD2 LEU 23 -5.569 -0.812 -6.739 201 H GLY 24 H GLY 24 -10.140 -2.884 -4.463 202 1HA GLY 24 2HA GLY 24 -12.050 -3.075 -5.938 203 2HA GLY 24 1HA GLY 24 -11.070 -2.381 -7.218 204 H VAL 25 H VAL 25 -9.868 -4.828 -5.037 205 HA VAL 25 HA VAL 25 -10.130 -6.858 -7.146 206 HB VAL 25 HB VAL 25 -7.815 -7.652 -6.562 207 1HG1 VAL 25 1HG1 VAL 25 -8.194 -6.494 -8.630 208 2HG1 VAL 25 2HG1 VAL 25 -6.680 -5.917 -7.932 209 3HG1 VAL 25 3HG1 VAL 25 -8.137 -4.930 -7.816 210 1HG2 VAL 25 1HG2 VAL 25 -7.213 -6.704 -4.556 211 2HG2 VAL 25 2HG2 VAL 25 -7.899 -5.134 -4.967 212 3HG2 VAL 25 3HG2 VAL 25 -6.375 -5.647 -5.691 213 H GLN 26 H GLN 26 -9.119 -9.029 -6.089 214 HA GLN 26 HA GLN 26 -10.660 -9.416 -3.635 215 1HB GLN 26 2HB GLN 26 -9.549 -11.479 -5.540 216 2HB GLN 26 1HB GLN 26 -10.610 -11.798 -4.176 217 1HG GLN 26 2HG GLN 26 -11.780 -9.837 -5.916 218 2HG GLN 26 1HG GLN 26 -11.330 -11.277 -6.825 219 1HE2 GLN 26 1HE2 GLN 26 -13.960 -10.462 -6.457 220 2HE2 GLN 26 2HE2 GLN 26 -14.780 -11.636 -5.483 221 H GLN 27 H GLN 27 -9.797 -10.794 -1.964 222 HA GLN 27 HA GLN 27 -7.228 -10.014 -1.138 223 1HB GLN 27 2HB GLN 27 -8.748 -12.416 -0.125 224 2HB GLN 27 1HB GLN 27 -7.539 -11.475 0.737 225 1HG GLN 27 2HG GLN 27 -9.024 -9.944 1.390 226 2HG GLN 27 1HG GLN 27 -9.807 -9.893 -0.189 227 1HE2 GLN 27 1HE2 GLN 27 -11.780 -9.745 1.050 228 2HE2 GLN 27 2HE2 GLN 27 -12.510 -11.186 1.654 229 H SER 28 H SER 28 -8.235 -12.515 -3.237 230 HA SER 28 HA SER 28 -6.182 -14.393 -2.814 231 1HB SER 28 2HB SER 28 -6.757 -15.168 -5.134 232 2HB SER 28 1HB SER 28 -8.141 -15.042 -4.047 233 HG SER 28 HG SER 28 -8.861 -13.982 -5.763 234 H ALA 29 H ALA 29 -6.070 -11.266 -4.144 235 HA ALA 29 HA ALA 29 -3.659 -11.855 -5.702 236 1HB ALA 29 1HB ALA 29 -4.908 -10.519 -7.059 237 2HB ALA 29 2HB ALA 29 -4.009 -9.272 -6.192 238 3HB ALA 29 3HB ALA 29 -5.661 -9.664 -5.712 239 H ILE 30 H ILE 30 -4.785 -10.011 -2.925 240 HA ILE 30 HA ILE 30 -2.391 -8.582 -2.461 241 HB ILE 30 HB ILE 30 -4.678 -9.332 -0.644 242 1HG1 ILE 30 2HG1 ILE 30 -5.151 -6.914 -0.758 243 2HG1 ILE 30 1HG1 ILE 30 -3.755 -6.693 -1.809 244 1HG2 ILE 30 1HG2 ILE 30 -2.850 -9.205 0.851 245 2HG2 ILE 30 2HG2 ILE 30 -3.670 -7.646 0.950 246 3HG2 ILE 30 3HG2 ILE 30 -2.177 -7.799 0.025 247 1HD1 ILE 30 1HD1 ILE 30 -6.033 -6.779 -2.907 248 2HD1 ILE 30 2HD1 ILE 30 -6.030 -8.503 -2.539 249 3HD1 ILE 30 3HD1 ILE 30 -4.783 -7.822 -3.584 250 H ASN 31 H ASN 31 -3.443 -11.809 -1.658 251 HA ASN 31 HA ASN 31 -1.495 -12.356 0.319 252 1HB ASN 31 2HB ASN 31 -3.671 -13.648 -0.258 253 2HB ASN 31 1HB ASN 31 -2.678 -14.469 -1.458 254 1HD2 ASN 31 1HD2 ASN 31 -2.216 -13.414 1.902 255 2HD2 ASN 31 2HD2 ASN 31 -1.654 -14.952 2.482 256 H LYS 32 H LYS 32 -1.625 -12.939 -3.177 257 HA LYS 32 HA LYS 32 0.864 -14.259 -3.337 258 1HB LYS 32 2HB LYS 32 -0.987 -12.989 -5.306 259 2HB LYS 32 1HB LYS 32 0.629 -13.448 -5.824 260 1HG LYS 32 2HG LYS 32 -0.712 -15.270 -6.375 261 2HG LYS 32 1HG LYS 32 0.095 -15.750 -4.882 262 1HD LYS 32 2HD LYS 32 -2.324 -14.405 -4.212 263 2HD LYS 32 1HD LYS 32 -2.686 -15.631 -5.428 264 1HE LYS 32 2HE LYS 32 -1.498 -17.298 -4.039 265 2HE LYS 32 1HE LYS 32 -1.255 -16.060 -2.807 266 1HZ LYS 32 1HZ LYS 32 -3.172 -17.507 -2.359 267 2HZ LYS 32 2HZ LYS 32 -3.908 -16.970 -3.784 268 3HZ LYS 32 3HZ LYS 32 -3.619 -15.884 -2.521 269 H TRP 33 H TRP 33 -0.053 -10.923 -3.273 270 HA TRP 33 HA TRP 33 2.287 -9.837 -4.414 271 1HB TRP 33 2HB TRP 33 0.155 -8.750 -2.611 272 2HB TRP 33 1HB TRP 33 1.436 -7.748 -3.275 273 HD1 TRP 33 HD TRP 33 1.000 -9.812 -5.981 274 HE1 TRP 33 1HE TRP 33 -0.774 -9.012 -7.670 275 HE3 TRP 33 3HE TRP 33 -1.469 -6.567 -2.986 276 HZ2 TRP 33 2HZ TRP 33 -2.955 -7.214 -7.699 277 HZ3 TRP 33 3HZ TRP 33 -3.401 -5.328 -3.892 278 HH2 TRP 33 HH TRP 33 -4.130 -5.650 -6.204 279 H ILE 34 H ILE 34 1.232 -10.223 -1.030 280 HA ILE 34 HA ILE 34 3.761 -9.331 0.007 281 HB ILE 34 HB ILE 34 1.569 -10.756 1.514 282 1HG1 ILE 34 2HG1 ILE 34 1.907 -7.767 1.306 283 2HG1 ILE 34 1HG1 ILE 34 0.867 -8.663 0.204 284 1HG2 ILE 34 1HG2 ILE 34 3.843 -8.973 2.367 285 2HG2 ILE 34 2HG2 ILE 34 3.597 -10.674 2.766 286 3HG2 ILE 34 3HG2 ILE 34 2.514 -9.449 3.425 287 1HD1 ILE 34 1HD1 ILE 34 0.588 -8.481 3.192 288 2HD1 ILE 34 2HD1 ILE 34 -0.412 -9.488 2.144 289 3HD1 ILE 34 3HD1 ILE 34 -0.450 -7.732 1.979 290 H HIS 35 H HIS 35 2.395 -12.345 -0.968 291 HA HIS 35 HA HIS 35 3.889 -14.117 0.609 292 1HB HIS 35 2HB HIS 35 2.263 -14.260 -1.826 293 2HB HIS 35 1HB HIS 35 3.547 -15.458 -1.762 294 HD1 HIS 35 1HD HIS 35 2.204 -14.585 1.535 295 HD2 HIS 35 2HD HIS 35 1.364 -17.326 -1.471 296 HE1 HIS 35 1HE HIS 35 0.728 -16.321 2.602 297 HE2 HIS 35 2HE HIS 35 0.154 -17.916 0.738 298 H ALA 36 H ALA 36 4.690 -12.286 -2.216 299 HA ALA 36 HA ALA 36 7.305 -13.626 -2.371 300 1HB ALA 36 1HB ALA 36 7.412 -13.144 -4.627 301 2HB ALA 36 2HB ALA 36 6.274 -11.801 -4.500 302 3HB ALA 36 3HB ALA 36 5.692 -13.463 -4.394 303 H GLY 37 H GLY 37 6.062 -11.092 -0.834 304 1HA GLY 37 2HA GLY 37 6.970 -9.190 0.071 305 2HA GLY 37 1HA GLY 37 8.532 -9.795 -0.455 306 H ARG 38 H ARG 38 5.626 -8.682 -2.197 307 HA ARG 38 HA ARG 38 7.241 -7.287 -4.120 308 1HB ARG 38 2HB ARG 38 4.677 -8.333 -4.107 309 2HB ARG 38 1HB ARG 38 4.403 -6.596 -4.103 310 1HG ARG 38 2HG ARG 38 6.369 -7.719 -6.031 311 2HG ARG 38 1HG ARG 38 4.646 -7.939 -6.345 312 1HD ARG 38 2HD ARG 38 5.108 -5.951 -7.440 313 2HD ARG 38 1HD ARG 38 4.487 -5.398 -5.885 314 HE ARG 38 HE ARG 38 6.504 -4.414 -5.523 315 1HH1 ARG 38 1HH1 ARG 38 6.971 -7.018 -7.798 316 2HH1 ARG 38 2HH1 ARG 38 8.652 -6.675 -8.037 317 1HH2 ARG 38 1HH2 ARG 38 8.714 -3.960 -5.837 318 2HH2 ARG 38 2HH2 ARG 38 9.641 -4.940 -6.924 319 H LYS 39 H LYS 39 8.168 -5.405 -3.678 320 HA LYS 39 HA LYS 39 7.420 -3.736 -1.528 321 1HB LYS 39 2HB LYS 39 9.597 -3.944 -3.256 322 2HB LYS 39 1HB LYS 39 8.926 -2.355 -3.593 323 1HG LYS 39 2HG LYS 39 9.031 -1.847 -1.172 324 2HG LYS 39 1HG LYS 39 9.827 -3.400 -0.919 325 1HD LYS 39 2HD LYS 39 11.034 -1.730 -3.011 326 2HD LYS 39 1HD LYS 39 11.120 -1.049 -1.385 327 1HE LYS 39 2HE LYS 39 12.890 -2.349 -1.035 328 2HE LYS 39 1HE LYS 39 11.791 -3.726 -1.056 329 1HZ LYS 39 1HZ LYS 39 12.177 -3.364 -3.662 330 2HZ LYS 39 2HZ LYS 39 13.135 -4.389 -2.716 331 3HZ LYS 39 3HZ LYS 39 13.670 -2.824 -3.077 332 H ILE 40 H ILE 40 5.221 -3.252 -1.780 333 HA ILE 40 HA ILE 40 4.611 -1.351 -3.952 334 HB ILE 40 HB ILE 40 2.588 -3.015 -2.455 335 1HG1 ILE 40 2HG1 ILE 40 3.827 -3.516 -5.171 336 2HG1 ILE 40 1HG1 ILE 40 4.070 -4.496 -3.728 337 1HG2 ILE 40 1HG2 ILE 40 1.238 -2.406 -4.545 338 2HG2 ILE 40 2HG2 ILE 40 2.470 -1.176 -4.821 339 3HG2 ILE 40 3HG2 ILE 40 1.508 -1.146 -3.342 340 1HD1 ILE 40 1HD1 ILE 40 2.264 -5.686 -4.176 341 2HD1 ILE 40 2HD1 ILE 40 2.127 -4.818 -5.705 342 3HD1 ILE 40 3HD1 ILE 40 1.271 -4.233 -4.278 343 H PHE 41 H PHE 41 3.009 0.323 -3.391 344 HA PHE 41 HA PHE 41 2.809 0.918 -0.540 345 1HB PHE 41 2HB PHE 41 3.971 2.829 -2.572 346 2HB PHE 41 1HB PHE 41 3.509 3.273 -0.932 347 HD1 PHE 41 1HD PHE 41 5.858 1.278 -2.948 348 HD2 PHE 41 2HD PHE 41 4.903 2.775 0.919 349 HE1 PHE 41 1HE PHE 41 8.092 0.624 -2.148 350 HE2 PHE 41 2HE PHE 41 7.134 2.124 1.726 351 HZ PHE 41 HZ PHE 41 8.732 1.048 0.192 352 H LEU 42 H LEU 42 0.713 1.149 -0.198 353 HA LEU 42 HA LEU 42 -1.096 1.971 -2.277 354 1HB LEU 42 2HB LEU 42 -1.432 1.192 0.607 355 2HB LEU 42 1HB LEU 42 -2.773 1.805 -0.344 356 HG LEU 42 HG LEU 42 -1.947 -0.120 -1.995 357 1HD1 LEU 42 1HD1 LEU 42 -0.790 -0.758 0.641 358 2HD1 LEU 42 2HD1 LEU 42 -0.271 -1.236 -0.974 359 3HD1 LEU 42 3HD1 LEU 42 -1.613 -2.075 -0.196 360 1HD2 LEU 42 1HD2 LEU 42 -3.633 -0.834 0.380 361 2HD2 LEU 42 2HD2 LEU 42 -3.790 -1.382 -1.287 362 3HD2 LEU 42 3HD2 LEU 42 -4.195 0.281 -0.863 363 H THR 43 H THR 43 -1.950 3.927 -2.605 364 HA THR 43 HA THR 43 -1.236 6.061 -0.713 365 HB THR 43 HB THR 43 -2.250 6.691 -3.441 366 HG1 THR 43 1HG THR 43 0.367 5.730 -2.929 367 1HG2 THR 43 1HG2 THR 43 -0.834 8.053 -1.371 368 2HG2 THR 43 2HG2 THR 43 -1.511 8.689 -2.870 369 3HG2 THR 43 3HG2 THR 43 0.131 8.045 -2.848 370 H ILE 44 H ILE 44 -2.803 6.854 0.507 371 HA ILE 44 HA ILE 44 -5.572 6.209 -0.095 372 HB ILE 44 HB ILE 44 -4.500 7.718 2.288 373 1HG1 ILE 44 2HG1 ILE 44 -5.311 4.901 2.607 374 2HG1 ILE 44 1HG1 ILE 44 -3.838 5.143 1.676 375 1HG2 ILE 44 1HG2 ILE 44 -6.577 7.642 3.176 376 2HG2 ILE 44 2HG2 ILE 44 -6.955 6.086 2.435 377 3HG2 ILE 44 3HG2 ILE 44 -7.051 7.565 1.478 378 1HD1 ILE 44 1HD1 ILE 44 -3.763 4.830 4.268 379 2HD1 ILE 44 2HD1 ILE 44 -4.134 6.554 4.275 380 3HD1 ILE 44 3HD1 ILE 44 -2.681 5.965 3.464 381 H ASN 45 H ASN 45 -6.749 7.519 -1.308 382 HA ASN 45 HA ASN 45 -5.978 10.258 -1.760 383 1HB ASN 45 2HB ASN 45 -8.382 8.692 -2.720 384 2HB ASN 45 1HB ASN 45 -7.946 10.306 -3.269 385 1HD2 ASN 45 1HD2 ASN 45 -7.583 7.009 -3.768 386 2HD2 ASN 45 2HD2 ASN 45 -6.291 7.067 -4.928 387 H ALA 46 H ALA 46 -7.875 11.919 -1.770 388 HA ALA 46 HA ALA 46 -8.836 12.051 0.963 389 1HB ALA 46 1HB ALA 46 -9.537 14.350 0.332 390 2HB ALA 46 2HB ALA 46 -8.927 14.043 -1.296 391 3HB ALA 46 3HB ALA 46 -7.821 14.033 0.078 392 H ASP 47 H ASP 47 -10.020 10.482 -1.569 393 HA ASP 47 HA ASP 47 -12.800 11.306 -1.137 394 1HB ASP 47 2HB ASP 47 -12.900 9.565 -3.241 395 2HB ASP 47 1HB ASP 47 -12.790 11.316 -3.392 396 H GLY 48 H GLY 48 -10.540 8.828 -0.527 397 1HA GLY 48 2HA GLY 48 -11.130 7.192 1.172 398 2HA GLY 48 1HA GLY 48 -12.720 7.086 0.421 399 H SER 49 H SER 49 -10.200 7.301 -1.842 400 HA SER 49 HA SER 49 -10.500 4.453 -2.441 401 1HB SER 49 2HB SER 49 -10.420 6.793 -4.043 402 2HB SER 49 1HB SER 49 -9.022 5.808 -4.459 403 HG SER 49 HG SER 49 -11.630 4.741 -4.268 404 H VAL 50 H VAL 50 -8.516 3.390 -3.396 405 HA VAL 50 HA VAL 50 -5.979 4.366 -2.364 406 HB VAL 50 HB VAL 50 -6.691 1.556 -1.625 407 1HG1 VAL 50 1HG1 VAL 50 -5.005 1.914 0.089 408 2HG1 VAL 50 2HG1 VAL 50 -4.857 3.604 -0.389 409 3HG1 VAL 50 3HG1 VAL 50 -4.366 2.328 -1.501 410 1HG2 VAL 50 1HG2 VAL 50 -8.482 3.023 -0.704 411 2HG2 VAL 50 2HG2 VAL 50 -7.238 3.929 0.158 412 3HG2 VAL 50 3HG2 VAL 50 -7.510 2.226 0.532 413 H TYR 51 H TYR 51 -4.268 3.711 -3.560 414 HA TYR 51 HA TYR 51 -4.666 1.521 -5.471 415 1HB TYR 51 2HB TYR 51 -3.753 2.814 -7.305 416 2HB TYR 51 1HB TYR 51 -5.144 3.659 -6.635 417 HD1 TYR 51 1HD TYR 51 -1.443 3.625 -6.744 418 HD2 TYR 51 2HD TYR 51 -4.935 5.849 -5.762 419 HE1 TYR 51 1HE TYR 51 -0.072 5.647 -6.471 420 HE2 TYR 51 2HE TYR 51 -3.573 7.878 -5.488 421 HH TYR 51 HH TYR 51 -0.296 8.042 -6.491 422 H ALA 52 H ALA 52 -2.974 0.192 -5.636 423 HA ALA 52 HA ALA 52 -0.540 0.897 -4.166 424 1HB ALA 52 1HB ALA 52 -2.074 -1.419 -4.240 425 2HB ALA 52 2HB ALA 52 -0.485 -1.225 -3.501 426 3HB ALA 52 3HB ALA 52 -0.620 -1.820 -5.156 427 H GLU 53 H GLU 53 1.286 1.389 -5.187 428 HA GLU 53 HA GLU 53 1.608 0.534 -7.986 429 1HB GLU 53 2HB GLU 53 2.600 2.664 -8.547 430 2HB GLU 53 1HB GLU 53 1.011 2.936 -7.846 431 1HG GLU 53 2HG GLU 53 3.542 3.113 -6.244 432 2HG GLU 53 1HG GLU 53 2.855 4.489 -7.105 433 H GLU 54 H GLU 54 3.893 0.583 -8.722 434 HA GLU 54 HA GLU 54 5.622 -0.425 -6.582 435 1HB GLU 54 2HB GLU 54 5.040 -1.537 -8.975 436 2HB GLU 54 1HB GLU 54 6.487 -0.637 -9.406 437 1HG GLU 54 2HG GLU 54 7.692 -1.757 -7.568 438 2HG GLU 54 1HG GLU 54 6.245 -2.711 -7.239 439 H VAL 55 H VAL 55 7.468 0.566 -6.000 440 HA VAL 55 HA VAL 55 8.040 3.158 -7.208 441 HB VAL 55 HB VAL 55 9.335 1.930 -4.774 442 1HG1 VAL 55 1HG1 VAL 55 10.699 3.683 -5.398 443 2HG1 VAL 55 2HG1 VAL 55 9.574 4.482 -4.300 444 3HG1 VAL 55 3HG1 VAL 55 9.361 4.634 -6.044 445 1HG2 VAL 55 1HG2 VAL 55 6.861 2.119 -4.553 446 2HG2 VAL 55 2HG2 VAL 55 7.014 3.854 -4.835 447 3HG2 VAL 55 3HG2 VAL 55 7.759 3.122 -3.414 448 H LYS 56 H LYS 56 9.774 3.587 -8.430 449 HA LYS 56 HA LYS 56 11.894 1.551 -8.603 450 1HB LYS 56 2HB LYS 56 12.057 1.944 -11.004 451 2HB LYS 56 1HB LYS 56 10.432 1.425 -10.578 452 1HG LYS 56 2HG LYS 56 9.799 3.875 -10.568 453 2HG LYS 56 1HG LYS 56 11.366 4.180 -11.321 454 1HD LYS 56 2HD LYS 56 10.238 3.885 -13.246 455 2HD LYS 56 1HD LYS 56 10.419 2.167 -12.878 456 1HE LYS 56 2HE LYS 56 8.140 2.448 -13.368 457 2HE LYS 56 1HE LYS 56 8.224 2.371 -11.609 458 1HZ LYS 56 1HZ LYS 56 7.442 4.562 -13.325 459 2HZ LYS 56 2HZ LYS 56 8.463 5.004 -12.051 460 3HZ LYS 56 3HZ LYS 56 6.998 4.225 -11.728 461 HA PRO 57 HA PRO 57 14.884 4.695 -7.884 462 1HB PRO 57 2HB PRO 57 16.748 4.121 -9.851 463 2HB PRO 57 1HB PRO 57 16.641 3.306 -8.288 464 1HG PRO 57 2HG PRO 57 15.597 2.445 -10.952 465 2HG PRO 57 1HG PRO 57 16.357 1.475 -9.676 466 1HD PRO 57 2HD PRO 57 13.705 1.456 -10.050 467 2HD PRO 57 1HD PRO 57 14.409 1.370 -8.421 468 H ASP 58 H ASP 58 15.011 6.783 -8.420 469 HA ASP 58 HA ASP 58 13.649 7.863 -10.608 470 1HB ASP 58 2HB ASP 58 14.679 8.881 -8.310 471 2HB ASP 58 1HB ASP 58 15.832 9.510 -9.492 472 HA PRO 59 HA PRO 59 16.757 6.958 -13.744 473 1HB PRO 59 2HB PRO 59 14.950 8.502 -15.487 474 2HB PRO 59 1HB PRO 59 15.498 6.831 -15.638 475 1HG PRO 59 2HG PRO 59 12.977 7.426 -14.944 476 2HG PRO 59 1HG PRO 59 13.821 6.017 -14.275 477 1HD PRO 59 2HD PRO 59 13.313 8.694 -13.027 478 2HD PRO 59 1HD PRO 59 13.216 7.073 -12.303 479 H SER 60 H SER 60 17.822 8.759 -12.256 480 HA SER 60 HA SER 60 19.075 10.654 -12.133 481 1HB SER 60 2HB SER 60 19.028 9.990 -15.037 482 2HB SER 60 1HB SER 60 19.662 11.569 -14.572 483 HG SER 60 HG SER 60 20.623 9.005 -13.938 484 H ASN 61 H ASN 61 17.524 11.961 -11.149 485 HA ASN 61 HA ASN 61 15.876 13.640 -12.896 486 1HB ASN 61 2HB ASN 61 15.426 12.439 -10.381 487 2HB ASN 61 1HB ASN 61 15.489 14.175 -10.091 488 1HD2 ASN 61 1HD2 ASN 61 13.285 14.182 -9.584 489 2HD2 ASN 61 2HD2 ASN 61 12.071 14.078 -10.821 490 H LYS 62 H LYS 62 15.839 15.931 -12.643 491 HA LYS 62 HA LYS 62 18.246 17.055 -11.374 492 1HB LYS 62 2HB LYS 62 18.204 18.749 -13.289 493 2HB LYS 62 1HB LYS 62 18.773 17.128 -13.666 494 1HG LYS 62 2HG LYS 62 15.901 17.476 -14.054 495 2HG LYS 62 1HG LYS 62 16.891 18.525 -15.070 496 1HD LYS 62 2HD LYS 62 17.987 16.700 -16.070 497 2HD LYS 62 1HD LYS 62 17.436 15.580 -14.823 498 1HE LYS 62 2HE LYS 62 15.146 15.798 -15.618 499 2HE LYS 62 1HE LYS 62 15.664 16.964 -16.833 500 1HZ LYS 62 1HZ LYS 62 15.428 14.822 -17.844 501 2HZ LYS 62 2HZ LYS 62 16.431 14.100 -16.689 502 3HZ LYS 62 3HZ LYS 62 17.076 15.206 -17.795 503 H LYS 63 H LYS 63 17.750 18.483 -9.861 504 HA LYS 63 HA LYS 63 15.105 19.736 -9.890 505 1HB LYS 63 2HB LYS 63 17.174 19.643 -7.688 506 2HB LYS 63 1HB LYS 63 15.543 20.284 -7.545 507 1HG LYS 63 2HG LYS 63 16.199 17.420 -8.199 508 2HG LYS 63 1HG LYS 63 15.814 18.023 -6.585 509 1HD LYS 63 2HD LYS 63 13.965 18.409 -8.925 510 2HD LYS 63 1HD LYS 63 13.914 16.962 -7.915 511 1HE LYS 63 2HE LYS 63 13.686 18.531 -5.934 512 2HE LYS 63 1HE LYS 63 13.396 19.813 -7.110 513 1HZ LYS 63 1HZ LYS 63 11.806 17.358 -7.294 514 2HZ LYS 63 2HZ LYS 63 11.386 18.944 -7.703 515 3HZ LYS 63 3HZ LYS 63 11.425 18.472 -6.078 516 H THR 64 H THR 64 18.516 20.487 -10.034 517 HA THR 64 HA THR 64 17.901 23.359 -10.099 518 HB THR 64 HB THR 64 20.723 22.477 -10.152 519 HG1 THR 64 1HG THR 64 20.080 20.994 -8.683 520 1HG2 THR 64 1HG2 THR 64 20.692 24.700 -9.748 521 2HG2 THR 64 2HG2 THR 64 20.583 24.128 -8.084 522 3HG2 THR 64 3HG2 THR 64 19.128 24.647 -8.936 523 H THR 65 H THR 65 19.874 24.421 -11.540 524 HA THR 65 HA THR 65 19.629 23.162 -14.193 525 HB THR 65 HB THR 65 19.979 25.732 -14.864 526 HG1 THR 65 1HG THR 65 18.470 25.872 -12.471 527 1HG2 THR 65 1HG2 THR 65 17.928 25.605 -15.703 528 2HG2 THR 65 2HG2 THR 65 17.199 25.364 -14.116 529 3HG2 THR 65 3HG2 THR 65 17.869 23.990 -14.997 530 H ALA 66 H ALA 66 21.518 22.474 -14.929 531 HA ALA 66 HA ALA 66 23.825 24.139 -15.010 532 1HB ALA 66 1HB ALA 66 23.762 23.257 -12.606 533 2HB ALA 66 2HB ALA 66 25.270 23.088 -13.504 534 3HB ALA 66 3HB ALA 66 24.202 21.699 -13.306 Start of MODEL 5 1 1H MET 1 1HT MET 1 2.805 14.624 4.342 2 2H MET 1 2HT MET 1 1.134 14.383 4.029 3 3H MET 1 3HT MET 1 1.869 15.891 3.664 4 HA MET 1 HA MET 1 1.426 14.367 1.767 5 1HB MET 1 2HB MET 1 4.094 15.580 2.453 6 2HB MET 1 1HB MET 1 3.811 14.840 0.884 7 1HG MET 1 2HG MET 1 1.803 16.805 1.770 8 2HG MET 1 1HG MET 1 3.407 17.436 1.404 9 1HE MET 1 1HE MET 1 4.074 17.089 -2.077 10 2HE MET 1 2HE MET 1 4.124 15.400 -1.570 11 3HE MET 1 3HE MET 1 4.709 16.664 -0.488 12 H GLU 2 H GLU 2 2.630 12.756 0.429 13 HA GLU 2 HA GLU 2 3.438 10.655 0.107 14 1HB GLU 2 2HB GLU 2 5.437 11.817 1.267 15 2HB GLU 2 1HB GLU 2 4.965 10.891 2.684 16 1HG GLU 2 2HG GLU 2 5.035 8.891 0.966 17 2HG GLU 2 1HG GLU 2 6.138 9.975 0.118 18 H GLN 3 H GLN 3 1.076 10.270 0.775 19 HA GLN 3 HA GLN 3 0.860 8.775 3.279 20 1HB GLN 3 2HB GLN 3 -0.872 10.509 2.028 21 2HB GLN 3 1HB GLN 3 -1.529 8.940 1.584 22 1HG GLN 3 2HG GLN 3 -2.636 9.167 3.523 23 2HG GLN 3 1HG GLN 3 -1.137 8.541 4.206 24 1HE2 GLN 3 1HE2 GLN 3 0.547 10.556 4.269 25 2HE2 GLN 3 2HE2 GLN 3 -0.066 11.887 5.200 26 H ARG 4 H ARG 4 2.479 7.551 1.443 27 HA ARG 4 HA ARG 4 0.820 5.329 0.443 28 1HB ARG 4 2HB ARG 4 2.772 4.911 -1.124 29 2HB ARG 4 1HB ARG 4 1.812 6.347 -1.441 30 1HG ARG 4 2HG ARG 4 3.476 7.775 -0.588 31 2HG ARG 4 1HG ARG 4 4.353 6.436 0.154 32 1HD ARG 4 2HD ARG 4 5.510 7.139 -1.839 33 2HD ARG 4 1HD ARG 4 4.815 5.540 -2.103 34 HE ARG 4 HE ARG 4 2.969 7.406 -3.018 35 1HH1 ARG 4 1HH1 ARG 4 6.203 6.350 -3.797 36 2HH1 ARG 4 2HH1 ARG 4 6.059 6.739 -5.477 37 1HH2 ARG 4 1HH2 ARG 4 2.779 7.919 -5.228 38 2HH2 ARG 4 2HH2 ARG 4 4.117 7.631 -6.290 39 H ILE 5 H ILE 5 0.916 4.221 2.436 40 HA ILE 5 HA ILE 5 3.447 3.523 3.606 41 HB ILE 5 HB ILE 5 0.897 2.089 4.249 42 1HG1 ILE 5 2HG1 ILE 5 1.218 4.390 5.917 43 2HG1 ILE 5 1HG1 ILE 5 1.156 4.904 4.246 44 1HG2 ILE 5 1HG2 ILE 5 2.074 2.672 6.596 45 2HG2 ILE 5 2HG2 ILE 5 3.488 2.636 5.544 46 3HG2 ILE 5 3HG2 ILE 5 2.436 1.225 5.655 47 1HD1 ILE 5 1HD1 ILE 5 -0.993 4.368 5.876 48 2HD1 ILE 5 2HD1 ILE 5 -0.875 2.934 4.856 49 3HD1 ILE 5 3HD1 ILE 5 -1.029 4.531 4.121 50 H THR 6 H THR 6 3.825 1.159 4.118 51 HA THR 6 HA THR 6 4.170 -0.236 1.656 52 HB THR 6 HB THR 6 4.765 -2.111 3.522 53 HG1 THR 6 1HG THR 6 5.301 -1.222 5.397 54 1HG2 THR 6 1HG2 THR 6 6.819 -0.036 3.416 55 2HG2 THR 6 2HG2 THR 6 6.224 -0.567 1.842 56 3HG2 THR 6 3HG2 THR 6 6.896 -1.742 2.976 57 H LEU 7 H LEU 7 3.380 -2.337 1.115 58 HA LEU 7 HA LEU 7 0.588 -2.621 1.507 59 1HB LEU 7 2HB LEU 7 1.639 -3.362 -0.542 60 2HB LEU 7 1HB LEU 7 2.633 -4.507 0.339 61 HG LEU 7 HG LEU 7 0.391 -5.583 1.049 62 1HD1 LEU 7 1HD1 LEU 7 -1.277 -4.145 0.405 63 2HD1 LEU 7 2HD1 LEU 7 -1.244 -5.254 -0.966 64 3HD1 LEU 7 3HD1 LEU 7 -0.454 -3.680 -1.084 65 1HD2 LEU 7 1HD2 LEU 7 1.553 -5.713 -1.721 66 2HD2 LEU 7 2HD2 LEU 7 0.297 -6.816 -1.157 67 3HD2 LEU 7 3HD2 LEU 7 1.867 -6.780 -0.353 68 H LYS 8 H LYS 8 3.394 -4.392 2.767 69 HA LYS 8 HA LYS 8 2.044 -6.395 4.152 70 1HB LYS 8 2HB LYS 8 4.648 -5.782 3.787 71 2HB LYS 8 1HB LYS 8 4.450 -5.263 5.455 72 1HG LYS 8 2HG LYS 8 3.337 -7.625 5.724 73 2HG LYS 8 1HG LYS 8 4.291 -7.990 4.285 74 1HD LYS 8 2HD LYS 8 5.556 -6.663 6.653 75 2HD LYS 8 1HD LYS 8 5.321 -8.411 6.625 76 1HE LYS 8 2HE LYS 8 6.970 -8.726 5.137 77 2HE LYS 8 1HE LYS 8 6.493 -7.330 4.172 78 1HZ LYS 8 1HZ LYS 8 7.492 -6.104 6.292 79 2HZ LYS 8 2HZ LYS 8 8.438 -6.539 4.960 80 3HZ LYS 8 3HZ LYS 8 8.424 -7.515 6.341 81 H ASP 9 H ASP 9 2.792 -3.084 5.079 82 HA ASP 9 HA ASP 9 1.887 -3.343 7.776 83 1HB ASP 9 2HB ASP 9 2.414 -0.945 6.015 84 2HB ASP 9 1HB ASP 9 1.908 -0.809 7.696 85 H TYR 10 H TYR 10 0.432 -2.401 4.731 86 HA TYR 10 HA TYR 10 -1.925 -1.241 5.658 87 1HB TYR 10 2HB TYR 10 -0.926 -1.513 3.241 88 2HB TYR 10 1HB TYR 10 -1.944 -2.948 3.202 89 HD1 TYR 10 1HD TYR 10 -4.448 -2.517 3.994 90 HD2 TYR 10 2HD TYR 10 -1.821 0.468 2.489 91 HE1 TYR 10 1HE TYR 10 -6.385 -1.130 3.381 92 HE2 TYR 10 2HE TYR 10 -3.747 1.863 1.867 93 HH TYR 10 HH TYR 10 -6.098 2.140 2.496 94 H ALA 11 H ALA 11 -1.326 -4.629 4.734 95 HA ALA 11 HA ALA 11 -3.867 -5.623 5.278 96 1HB ALA 11 1HB ALA 11 -2.663 -7.194 4.182 97 2HB ALA 11 2HB ALA 11 -2.382 -7.778 5.823 98 3HB ALA 11 3HB ALA 11 -1.163 -6.787 5.019 99 H MET 12 H MET 12 -1.003 -5.732 7.406 100 HA MET 12 HA MET 12 -2.400 -6.752 9.629 101 1HB MET 12 2HB MET 12 0.287 -5.927 9.010 102 2HB MET 12 1HB MET 12 -0.176 -5.328 10.596 103 1HG MET 12 2HG MET 12 -0.790 -7.599 11.269 104 2HG MET 12 1HG MET 12 -0.306 -8.194 9.681 105 1HE MET 12 1HE MET 12 1.504 -9.154 9.199 106 2HE MET 12 2HE MET 12 3.001 -9.305 10.117 107 3HE MET 12 3HE MET 12 2.784 -7.958 8.999 108 H ARG 13 H ARG 13 -2.076 -3.564 8.377 109 HA ARG 13 HA ARG 13 -2.891 -2.307 10.867 110 1HB ARG 13 2HB ARG 13 -1.191 -1.247 9.403 111 2HB ARG 13 1HB ARG 13 -2.426 -1.050 8.160 112 1HG ARG 13 2HG ARG 13 -2.643 0.988 9.074 113 2HG ARG 13 1HG ARG 13 -3.657 0.132 10.246 114 1HD ARG 13 2HD ARG 13 -1.144 -0.230 11.269 115 2HD ARG 13 1HD ARG 13 -1.034 1.389 10.581 116 HE ARG 13 HE ARG 13 -3.402 1.112 12.111 117 1HH1 ARG 13 1HH1 ARG 13 0.052 1.494 12.438 118 2HH1 ARG 13 2HH1 ARG 13 -0.055 2.268 13.983 119 1HH2 ARG 13 1HH2 ARG 13 -3.544 2.129 14.143 120 2HH2 ARG 13 2HH2 ARG 13 -2.095 2.628 14.952 121 H PHE 14 H PHE 14 -4.094 -1.825 7.549 122 HA PHE 14 HA PHE 14 -6.700 -1.171 8.519 123 1HB PHE 14 2HB PHE 14 -5.641 -1.522 5.713 124 2HB PHE 14 1HB PHE 14 -7.182 -0.808 6.146 125 HD1 PHE 14 1HD PHE 14 -7.263 1.369 7.300 126 HD2 PHE 14 2HD PHE 14 -3.610 -0.280 5.917 127 HE1 PHE 14 1HE PHE 14 -6.198 3.555 7.520 128 HE2 PHE 14 2HE PHE 14 -2.536 1.899 6.134 129 HZ PHE 14 HZ PHE 14 -3.841 3.802 6.933 130 H GLY 15 H GLY 15 -5.253 -3.879 6.740 131 1HA GLY 15 2HA GLY 15 -6.215 -6.096 7.352 132 2HA GLY 15 1HA GLY 15 -7.789 -5.350 7.134 133 H GLN 16 H GLN 16 -6.410 -7.669 5.808 134 HA GLN 16 HA GLN 16 -5.735 -7.026 3.165 135 1HB GLN 16 2HB GLN 16 -6.486 -9.475 4.642 136 2HB GLN 16 1HB GLN 16 -6.738 -9.530 2.903 137 1HG GLN 16 2HG GLN 16 -4.558 -9.685 2.475 138 2HG GLN 16 1HG GLN 16 -4.143 -8.443 3.656 139 1HE2 GLN 16 1HE2 GLN 16 -2.461 -9.452 4.620 140 2HE2 GLN 16 2HE2 GLN 16 -2.602 -10.931 5.519 141 H THR 17 H THR 17 -8.829 -7.497 4.719 142 HA THR 17 HA THR 17 -10.390 -7.809 2.387 143 HB THR 17 HB THR 17 -11.210 -6.680 5.070 144 HG1 THR 17 1HG THR 17 -10.380 -8.726 5.350 145 1HG2 THR 17 1HG2 THR 17 -13.000 -8.183 3.212 146 2HG2 THR 17 2HG2 THR 17 -12.800 -6.437 3.066 147 3HG2 THR 17 3HG2 THR 17 -13.420 -7.132 4.565 148 H LYS 18 H LYS 18 -9.879 -4.947 4.454 149 HA LYS 18 HA LYS 18 -11.270 -3.133 2.846 150 1HB LYS 18 2HB LYS 18 -10.230 -2.928 5.265 151 2HB LYS 18 1HB LYS 18 -8.880 -2.231 4.388 152 1HG LYS 18 2HG LYS 18 -10.870 -0.822 3.291 153 2HG LYS 18 1HG LYS 18 -11.580 -1.155 4.872 154 1HD LYS 18 2HD LYS 18 -9.037 -0.419 5.538 155 2HD LYS 18 1HD LYS 18 -9.358 0.605 4.137 156 1HE LYS 18 2HE LYS 18 -11.520 0.422 6.137 157 2HE LYS 18 1HE LYS 18 -10.050 1.252 6.656 158 1HZ LYS 18 1HZ LYS 18 -11.310 2.934 5.732 159 2HZ LYS 18 2HZ LYS 18 -11.900 1.965 4.480 160 3HZ LYS 18 3HZ LYS 18 -10.300 2.505 4.441 161 H THR 19 H THR 19 -7.890 -4.144 2.790 162 HA THR 19 HA THR 19 -6.912 -2.256 0.979 163 HB THR 19 HB THR 19 -5.991 -5.124 1.085 164 HG1 THR 19 1HG THR 19 -5.699 -4.773 3.128 165 1HG2 THR 19 1HG2 THR 19 -5.000 -3.204 -0.453 166 2HG2 THR 19 2HG2 THR 19 -3.988 -4.434 0.304 167 3HG2 THR 19 3HG2 THR 19 -4.126 -2.835 1.034 168 H ALA 20 H ALA 20 -8.154 -5.532 0.341 169 HA ALA 20 HA ALA 20 -7.954 -5.332 -2.475 170 1HB ALA 20 1HB ALA 20 -9.812 -7.148 -0.955 171 2HB ALA 20 2HB ALA 20 -8.085 -7.454 -1.139 172 3HB ALA 20 3HB ALA 20 -9.127 -7.395 -2.561 173 H LYS 21 H LYS 21 -10.390 -4.361 -0.187 174 HA LYS 21 HA LYS 21 -12.460 -4.049 -2.170 175 1HB LYS 21 2HB LYS 21 -12.530 -4.396 0.512 176 2HB LYS 21 1HB LYS 21 -12.710 -2.650 0.423 177 1HG LYS 21 2HG LYS 21 -14.890 -3.158 0.262 178 2HG LYS 21 1HG LYS 21 -14.500 -3.412 -1.440 179 1HD LYS 21 2HD LYS 21 -13.860 -5.833 -0.348 180 2HD LYS 21 1HD LYS 21 -15.250 -5.344 0.632 181 1HE LYS 21 2HE LYS 21 -16.580 -5.024 -1.363 182 2HE LYS 21 1HE LYS 21 -15.200 -5.398 -2.383 183 1HZ LYS 21 1HZ LYS 21 -15.170 -7.624 -1.277 184 2HZ LYS 21 2HZ LYS 21 -16.510 -7.337 -2.257 185 3HZ LYS 21 3HZ LYS 21 -16.660 -7.236 -0.575 186 H ASP 22 H ASP 22 -10.210 -1.946 -0.446 187 HA ASP 22 HA ASP 22 -11.270 0.496 -1.403 188 1HB ASP 22 2HB ASP 22 -8.914 -0.380 0.107 189 2HB ASP 22 1HB ASP 22 -8.643 1.056 -0.884 190 H LEU 23 H LEU 23 -8.728 -1.653 -2.566 191 HA LEU 23 HA LEU 23 -8.002 0.100 -4.731 192 1HB LEU 23 2HB LEU 23 -6.901 -2.187 -3.466 193 2HB LEU 23 1HB LEU 23 -7.098 -2.576 -5.164 194 HG LEU 23 HG LEU 23 -5.910 0.055 -4.779 195 1HD1 LEU 23 1HD1 LEU 23 -3.833 -0.577 -3.845 196 2HD1 LEU 23 2HD1 LEU 23 -4.268 -2.287 -3.850 197 3HD1 LEU 23 3HD1 LEU 23 -5.077 -1.173 -2.747 198 1HD2 LEU 23 1HD2 LEU 23 -4.857 -0.496 -6.681 199 2HD2 LEU 23 2HD2 LEU 23 -5.995 -1.842 -6.733 200 3HD2 LEU 23 3HD2 LEU 23 -4.377 -2.080 -6.074 201 H GLY 24 H GLY 24 -9.795 -2.941 -4.389 202 1HA GLY 24 2HA GLY 24 -11.780 -3.280 -5.735 203 2HA GLY 24 1HA GLY 24 -10.970 -2.419 -7.039 204 H VAL 25 H VAL 25 -9.288 -4.781 -5.119 205 HA VAL 25 HA VAL 25 -9.333 -6.623 -7.421 206 HB VAL 25 HB VAL 25 -7.069 -7.389 -6.580 207 1HG1 VAL 25 1HG1 VAL 25 -6.690 -4.568 -7.334 208 2HG1 VAL 25 2HG1 VAL 25 -7.732 -5.511 -8.399 209 3HG1 VAL 25 3HG1 VAL 25 -6.078 -6.040 -8.089 210 1HG2 VAL 25 1HG2 VAL 25 -5.887 -6.214 -4.995 211 2HG2 VAL 25 2HG2 VAL 25 -7.524 -6.089 -4.350 212 3HG2 VAL 25 3HG2 VAL 25 -6.821 -4.738 -5.236 213 H GLN 26 H GLN 26 -8.351 -8.871 -6.529 214 HA GLN 26 HA GLN 26 -10.250 -9.716 -4.504 215 1HB GLN 26 2HB GLN 26 -8.415 -11.334 -6.271 216 2HB GLN 26 1HB GLN 26 -9.621 -12.003 -5.180 217 1HG GLN 26 2HG GLN 26 -11.000 -11.981 -6.907 218 2HG GLN 26 1HG GLN 26 -11.060 -10.229 -6.717 219 1HE2 GLN 26 1HE2 GLN 26 -11.290 -11.937 -9.108 220 2HE2 GLN 26 2HE2 GLN 26 -10.090 -11.368 -10.202 221 H GLN 27 H GLN 27 -9.706 -10.712 -2.598 222 HA GLN 27 HA GLN 27 -7.450 -9.829 -1.247 223 1HB GLN 27 2HB GLN 27 -9.122 -12.273 -0.643 224 2HB GLN 27 1HB GLN 27 -8.031 -11.476 0.485 225 1HG GLN 27 2HG GLN 27 -9.571 -9.991 1.052 226 2HG GLN 27 1HG GLN 27 -9.913 -9.601 -0.633 227 1HE2 GLN 27 1HE2 GLN 27 -11.830 -9.716 1.426 228 2HE2 GLN 27 2HE2 GLN 27 -12.930 -10.993 1.058 229 H SER 28 H SER 28 -7.820 -12.505 -3.375 230 HA SER 28 HA SER 28 -5.723 -14.147 -2.487 231 1HB SER 28 2HB SER 28 -7.607 -14.390 -4.410 232 2HB SER 28 1HB SER 28 -6.203 -14.012 -5.407 233 HG SER 28 HG SER 28 -6.630 -16.313 -4.865 234 H ALA 29 H ALA 29 -5.788 -11.437 -4.756 235 HA ALA 29 HA ALA 29 -3.131 -11.635 -5.651 236 1HB ALA 29 1HB ALA 29 -3.568 -9.756 -6.823 237 2HB ALA 29 2HB ALA 29 -4.273 -8.924 -5.436 238 3HB ALA 29 3HB ALA 29 -5.230 -10.095 -6.342 239 H ILE 30 H ILE 30 -4.554 -10.067 -2.838 240 HA ILE 30 HA ILE 30 -2.324 -8.556 -2.045 241 HB ILE 30 HB ILE 30 -4.335 -9.807 -0.176 242 1HG1 ILE 30 2HG1 ILE 30 -5.582 -8.685 -1.913 243 2HG1 ILE 30 1HG1 ILE 30 -5.616 -7.681 -0.468 244 1HG2 ILE 30 1HG2 ILE 30 -2.161 -8.564 0.582 245 2HG2 ILE 30 2HG2 ILE 30 -3.698 -8.252 1.390 246 3HG2 ILE 30 3HG2 ILE 30 -3.091 -7.121 0.181 247 1HD1 ILE 30 1HD1 ILE 30 -3.794 -7.267 -2.827 248 2HD1 ILE 30 2HD1 ILE 30 -3.919 -6.233 -1.403 249 3HD1 ILE 30 3HD1 ILE 30 -5.285 -6.377 -2.510 250 H ASN 31 H ASN 31 -3.354 -11.831 -1.134 251 HA ASN 31 HA ASN 31 -1.240 -12.350 0.645 252 1HB ASN 31 2HB ASN 31 -3.311 -13.941 -0.740 253 2HB ASN 31 1HB ASN 31 -1.872 -14.830 -0.249 254 1HD2 ASN 31 1HD2 ASN 31 -1.321 -14.904 1.962 255 2HD2 ASN 31 2HD2 ASN 31 -2.522 -14.638 3.189 256 H LYS 32 H LYS 32 -1.546 -12.726 -2.837 257 HA LYS 32 HA LYS 32 0.882 -14.176 -3.151 258 1HB LYS 32 2HB LYS 32 -0.568 -12.589 -5.263 259 2HB LYS 32 1HB LYS 32 0.547 -13.926 -5.514 260 1HG LYS 32 2HG LYS 32 -1.520 -14.884 -3.851 261 2HG LYS 32 1HG LYS 32 -2.280 -13.985 -5.165 262 1HD LYS 32 2HD LYS 32 -2.060 -15.891 -6.329 263 2HD LYS 32 1HD LYS 32 -0.370 -15.413 -6.494 264 1HE LYS 32 2HE LYS 32 0.185 -17.309 -5.478 265 2HE LYS 32 1HE LYS 32 -0.536 -16.663 -4.004 266 1HZ LYS 32 1HZ LYS 32 -2.687 -17.597 -4.801 267 2HZ LYS 32 2HZ LYS 32 -1.517 -18.764 -4.438 268 3HZ LYS 32 3HZ LYS 32 -1.844 -18.369 -6.049 269 H TRP 33 H TRP 33 0.017 -10.822 -3.040 270 HA TRP 33 HA TRP 33 2.341 -9.776 -4.260 271 1HB TRP 33 2HB TRP 33 0.215 -8.695 -2.462 272 2HB TRP 33 1HB TRP 33 1.558 -7.688 -2.975 273 HD1 TRP 33 HD TRP 33 1.175 -9.557 -5.859 274 HE1 TRP 33 1HE TRP 33 -0.474 -8.540 -7.565 275 HE3 TRP 33 3HE TRP 33 -1.269 -6.410 -2.745 276 HZ2 TRP 33 2HZ TRP 33 -2.560 -6.633 -7.554 277 HZ3 TRP 33 3HZ TRP 33 -3.092 -5.008 -3.640 278 HH2 TRP 33 HH TRP 33 -3.726 -5.123 -6.000 279 H ILE 34 H ILE 34 1.388 -10.223 -0.860 280 HA ILE 34 HA ILE 34 3.925 -9.315 0.137 281 HB ILE 34 HB ILE 34 1.820 -10.851 1.656 282 1HG1 ILE 34 2HG1 ILE 34 2.065 -7.848 1.394 283 2HG1 ILE 34 1HG1 ILE 34 0.910 -8.819 0.488 284 1HG2 ILE 34 1HG2 ILE 34 2.837 -9.296 3.496 285 2HG2 ILE 34 2HG2 ILE 34 4.217 -9.243 2.397 286 3HG2 ILE 34 3HG2 ILE 34 3.655 -10.789 3.036 287 1HD1 ILE 34 1HD1 ILE 34 0.566 -9.533 3.170 288 2HD1 ILE 34 2HD1 ILE 34 -0.510 -8.570 2.160 289 3HD1 ILE 34 3HD1 ILE 34 0.721 -7.776 3.144 290 H HIS 35 H HIS 35 2.542 -12.351 -0.808 291 HA HIS 35 HA HIS 35 4.149 -14.123 0.631 292 1HB HIS 35 2HB HIS 35 2.425 -14.234 -1.738 293 2HB HIS 35 1HB HIS 35 3.729 -15.415 -1.755 294 HD1 HIS 35 1HD HIS 35 2.588 -14.695 1.636 295 HD2 HIS 35 2HD HIS 35 1.505 -17.271 -1.438 296 HE1 HIS 35 1HE HIS 35 1.162 -16.463 2.714 297 HE2 HIS 35 2HE HIS 35 0.444 -17.961 0.818 298 H ALA 36 H ALA 36 4.801 -12.208 -2.177 299 HA ALA 36 HA ALA 36 7.450 -13.467 -2.434 300 1HB ALA 36 1HB ALA 36 5.778 -13.407 -4.404 301 2HB ALA 36 2HB ALA 36 7.467 -12.991 -4.699 302 3HB ALA 36 3HB ALA 36 6.258 -11.716 -4.543 303 H GLY 37 H GLY 37 6.173 -10.984 -0.864 304 1HA GLY 37 2HA GLY 37 6.984 -8.996 -0.060 305 2HA GLY 37 1HA GLY 37 8.570 -9.580 -0.539 306 H ARG 38 H ARG 38 5.742 -8.809 -2.542 307 HA ARG 38 HA ARG 38 7.314 -7.406 -4.445 308 1HB ARG 38 2HB ARG 38 5.051 -8.608 -4.771 309 2HB ARG 38 1HB ARG 38 4.333 -7.116 -4.178 310 1HG ARG 38 2HG ARG 38 4.270 -6.803 -6.453 311 2HG ARG 38 1HG ARG 38 5.778 -5.995 -6.022 312 1HD ARG 38 2HD ARG 38 6.989 -7.415 -7.242 313 2HD ARG 38 1HD ARG 38 6.175 -8.817 -6.550 314 HE ARG 38 HE ARG 38 4.603 -7.418 -8.507 315 1HH1 ARG 38 1HH1 ARG 38 7.037 -9.870 -8.014 316 2HH1 ARG 38 2HH1 ARG 38 6.684 -10.696 -9.496 317 1HH2 ARG 38 1HH2 ARG 38 4.137 -8.503 -10.455 318 2HH2 ARG 38 2HH2 ARG 38 5.037 -9.920 -10.881 319 H LYS 39 H LYS 39 8.091 -5.419 -4.295 320 HA LYS 39 HA LYS 39 7.494 -3.663 -2.178 321 1HB LYS 39 2HB LYS 39 9.227 -3.678 -4.521 322 2HB LYS 39 1HB LYS 39 8.593 -2.075 -4.174 323 1HG LYS 39 2HG LYS 39 10.153 -1.836 -2.626 324 2HG LYS 39 1HG LYS 39 9.410 -3.147 -1.709 325 1HD LYS 39 2HD LYS 39 10.945 -4.680 -2.397 326 2HD LYS 39 1HD LYS 39 11.171 -3.909 -3.968 327 1HE LYS 39 2HE LYS 39 12.162 -2.009 -2.302 328 2HE LYS 39 1HE LYS 39 12.582 -3.480 -1.426 329 1HZ LYS 39 1HZ LYS 39 13.169 -3.267 -4.302 330 2HZ LYS 39 2HZ LYS 39 13.931 -4.210 -3.125 331 3HZ LYS 39 3HZ LYS 39 14.205 -2.542 -3.178 332 H ILE 40 H ILE 40 5.503 -2.863 -1.932 333 HA ILE 40 HA ILE 40 4.412 -1.223 -4.097 334 HB ILE 40 HB ILE 40 2.749 -3.234 -2.577 335 1HG1 ILE 40 2HG1 ILE 40 3.694 -3.200 -5.449 336 2HG1 ILE 40 1HG1 ILE 40 4.132 -4.372 -4.210 337 1HG2 ILE 40 1HG2 ILE 40 1.447 -1.288 -3.059 338 2HG2 ILE 40 2HG2 ILE 40 0.980 -2.550 -4.198 339 3HG2 ILE 40 3HG2 ILE 40 2.038 -1.241 -4.720 340 1HD1 ILE 40 1HD1 ILE 40 2.491 -5.264 -5.776 341 2HD1 ILE 40 2HD1 ILE 40 1.373 -3.970 -5.341 342 3HD1 ILE 40 3HD1 ILE 40 1.841 -5.173 -4.138 343 H PHE 41 H PHE 41 2.838 0.345 -3.370 344 HA PHE 41 HA PHE 41 2.634 0.735 -0.491 345 1HB PHE 41 2HB PHE 41 3.832 2.795 -2.352 346 2HB PHE 41 1HB PHE 41 3.317 3.129 -0.700 347 HD1 PHE 41 1HD PHE 41 5.715 1.225 -2.760 348 HD2 PHE 41 2HD PHE 41 4.675 2.560 1.144 349 HE1 PHE 41 1HE PHE 41 7.922 0.522 -1.934 350 HE2 PHE 41 2HE PHE 41 6.881 1.860 1.977 351 HZ PHE 41 HZ PHE 41 8.509 0.840 0.436 352 H LEU 42 H LEU 42 0.554 1.014 -0.104 353 HA LEU 42 HA LEU 42 -1.268 1.896 -2.141 354 1HB LEU 42 2HB LEU 42 -1.543 1.018 0.711 355 2HB LEU 42 1HB LEU 42 -2.903 1.708 -0.150 356 HG LEU 42 HG LEU 42 -2.142 -0.162 -1.923 357 1HD1 LEU 42 1HD1 LEU 42 -1.905 -2.205 -0.213 358 2HD1 LEU 42 2HD1 LEU 42 -1.043 -0.964 0.696 359 3HD1 LEU 42 3HD1 LEU 42 -0.519 -1.385 -0.934 360 1HD2 LEU 42 1HD2 LEU 42 -3.988 -1.489 -1.128 361 2HD2 LEU 42 2HD2 LEU 42 -4.394 0.221 -0.975 362 3HD2 LEU 42 3HD2 LEU 42 -3.919 -0.703 0.449 363 H THR 43 H THR 43 -1.845 3.916 -2.534 364 HA THR 43 HA THR 43 -1.278 5.967 -0.507 365 HB THR 43 HB THR 43 -2.046 6.753 -3.265 366 HG1 THR 43 1HG THR 43 0.088 6.329 -3.992 367 1HG2 THR 43 1HG2 THR 43 -1.214 8.662 -2.534 368 2HG2 THR 43 2HG2 THR 43 0.379 7.908 -2.501 369 3HG2 THR 43 3HG2 THR 43 -0.630 7.897 -1.056 370 H ILE 44 H ILE 44 -2.949 6.618 0.659 371 HA ILE 44 HA ILE 44 -5.660 6.162 -0.270 372 HB ILE 44 HB ILE 44 -4.784 7.416 2.331 373 1HG1 ILE 44 2HG1 ILE 44 -5.610 4.545 2.032 374 2HG1 ILE 44 1HG1 ILE 44 -3.939 5.015 1.746 375 1HG2 ILE 44 1HG2 ILE 44 -6.953 7.101 3.094 376 2HG2 ILE 44 2HG2 ILE 44 -7.326 5.912 1.846 377 3HG2 ILE 44 3HG2 ILE 44 -7.194 7.620 1.426 378 1HD1 ILE 44 1HD1 ILE 44 -5.409 5.647 4.286 379 2HD1 ILE 44 2HD1 ILE 44 -3.676 5.756 3.975 380 3HD1 ILE 44 3HD1 ILE 44 -4.461 4.179 4.048 381 H ASN 45 H ASN 45 -6.762 7.627 -1.373 382 HA ASN 45 HA ASN 45 -5.833 10.362 -1.527 383 1HB ASN 45 2HB ASN 45 -8.303 9.202 -2.820 384 2HB ASN 45 1HB ASN 45 -7.408 10.640 -3.304 385 1HD2 ASN 45 1HD2 ASN 45 -7.615 7.211 -3.452 386 2HD2 ASN 45 2HD2 ASN 45 -6.308 6.963 -4.568 387 H ALA 46 H ALA 46 -7.480 12.154 -1.410 388 HA ALA 46 HA ALA 46 -8.674 12.146 1.178 389 1HB ALA 46 1HB ALA 46 -7.915 14.238 0.651 390 2HB ALA 46 2HB ALA 46 -9.616 14.412 0.221 391 3HB ALA 46 3HB ALA 46 -8.414 14.115 -1.036 392 H ASP 47 H ASP 47 -9.773 11.006 -1.789 393 HA ASP 47 HA ASP 47 -12.560 11.626 -1.360 394 1HB ASP 47 2HB ASP 47 -12.640 9.850 -3.367 395 2HB ASP 47 1HB ASP 47 -12.300 11.558 -3.620 396 H GLY 48 H GLY 48 -10.360 9.135 -0.534 397 1HA GLY 48 2HA GLY 48 -11.000 7.578 1.198 398 2HA GLY 48 1HA GLY 48 -12.610 7.537 0.489 399 H SER 49 H SER 49 -10.040 7.481 -1.765 400 HA SER 49 HA SER 49 -10.520 4.619 -2.211 401 1HB SER 49 2HB SER 49 -10.500 6.835 -3.971 402 2HB SER 49 1HB SER 49 -9.127 5.818 -4.387 403 HG SER 49 HG SER 49 -10.590 4.048 -4.494 404 H VAL 50 H VAL 50 -8.582 3.515 -3.320 405 HA VAL 50 HA VAL 50 -6.002 4.462 -2.370 406 HB VAL 50 HB VAL 50 -6.760 1.661 -1.618 407 1HG1 VAL 50 1HG1 VAL 50 -4.412 2.229 -1.600 408 2HG1 VAL 50 2HG1 VAL 50 -4.982 2.016 0.056 409 3HG1 VAL 50 3HG1 VAL 50 -4.731 3.639 -0.590 410 1HG2 VAL 50 1HG2 VAL 50 -7.263 2.484 0.669 411 2HG2 VAL 50 2HG2 VAL 50 -8.447 3.001 -0.532 412 3HG2 VAL 50 3HG2 VAL 50 -7.226 4.134 0.047 413 H TYR 51 H TYR 51 -4.358 3.850 -3.649 414 HA TYR 51 HA TYR 51 -4.844 1.709 -5.604 415 1HB TYR 51 2HB TYR 51 -3.829 3.034 -7.370 416 2HB TYR 51 1HB TYR 51 -5.194 3.909 -6.685 417 HD1 TYR 51 1HD TYR 51 -1.515 3.755 -6.864 418 HD2 TYR 51 2HD TYR 51 -4.888 6.003 -5.572 419 HE1 TYR 51 1HE TYR 51 -0.061 5.696 -6.466 420 HE2 TYR 51 2HE TYR 51 -3.443 7.951 -5.171 421 HH TYR 51 HH TYR 51 -1.035 8.393 -4.700 422 H ALA 52 H ALA 52 -3.262 0.258 -5.705 423 HA ALA 52 HA ALA 52 -0.803 0.773 -4.217 424 1HB ALA 52 1HB ALA 52 -1.298 -1.289 -3.509 425 2HB ALA 52 2HB ALA 52 -0.667 -1.837 -5.060 426 3HB ALA 52 3HB ALA 52 -2.399 -1.583 -4.853 427 H GLU 53 H GLU 53 0.814 1.639 -5.333 428 HA GLU 53 HA GLU 53 1.165 0.880 -8.150 429 1HB GLU 53 2HB GLU 53 2.436 2.903 -8.430 430 2HB GLU 53 1HB GLU 53 0.927 3.303 -7.623 431 1HG GLU 53 2HG GLU 53 3.381 2.785 -6.008 432 2HG GLU 53 1HG GLU 53 3.162 4.340 -6.808 433 H GLU 54 H GLU 54 3.423 0.674 -8.921 434 HA GLU 54 HA GLU 54 4.975 -0.884 -6.989 435 1HB GLU 54 2HB GLU 54 4.262 -1.524 -9.504 436 2HB GLU 54 1HB GLU 54 5.810 -0.758 -9.831 437 1HG GLU 54 2HG GLU 54 6.795 -2.671 -9.340 438 2HG GLU 54 1HG GLU 54 6.271 -2.463 -7.670 439 H VAL 55 H VAL 55 6.640 0.029 -6.009 440 HA VAL 55 HA VAL 55 7.724 2.533 -6.955 441 HB VAL 55 HB VAL 55 7.358 2.209 -4.560 442 1HG1 VAL 55 1HG1 VAL 55 9.319 0.670 -3.547 443 2HG1 VAL 55 2HG1 VAL 55 8.980 -0.202 -5.042 444 3HG1 VAL 55 3HG1 VAL 55 7.688 0.088 -3.878 445 1HG2 VAL 55 1HG2 VAL 55 9.235 3.333 -3.871 446 2HG2 VAL 55 2HG2 VAL 55 9.357 3.541 -5.619 447 3HG2 VAL 55 3HG2 VAL 55 10.325 2.309 -4.808 448 H LYS 56 H LYS 56 9.849 2.915 -7.588 449 HA LYS 56 HA LYS 56 11.302 0.523 -8.495 450 1HB LYS 56 2HB LYS 56 12.328 1.955 -10.187 451 2HB LYS 56 1HB LYS 56 10.574 2.024 -10.291 452 1HG LYS 56 2HG LYS 56 11.050 4.113 -8.647 453 2HG LYS 56 1HG LYS 56 12.515 4.126 -9.630 454 1HD LYS 56 2HD LYS 56 11.382 4.611 -11.559 455 2HD LYS 56 1HD LYS 56 9.898 3.830 -11.012 456 1HE LYS 56 2HE LYS 56 9.326 6.069 -10.941 457 2HE LYS 56 1HE LYS 56 9.826 5.761 -9.279 458 1HZ LYS 56 1HZ LYS 56 11.263 7.220 -11.400 459 2HZ LYS 56 2HZ LYS 56 12.111 6.547 -10.100 460 3HZ LYS 56 3HZ LYS 56 10.915 7.712 -9.819 461 HA PRO 57 HA PRO 57 14.147 1.844 -5.222 462 1HB PRO 57 2HB PRO 57 15.730 -0.367 -5.357 463 2HB PRO 57 1HB PRO 57 14.200 -0.323 -4.472 464 1HG PRO 57 2HG PRO 57 14.779 -1.398 -7.205 465 2HG PRO 57 1HG PRO 57 13.781 -2.095 -5.917 466 1HD PRO 57 2HD PRO 57 12.710 -0.782 -8.019 467 2HD PRO 57 1HD PRO 57 11.980 -0.735 -6.399 468 H ASP 58 H ASP 58 16.106 2.846 -5.292 469 HA ASP 58 HA ASP 58 17.439 2.926 -7.906 470 1HB ASP 58 2HB ASP 58 16.588 4.977 -6.267 471 2HB ASP 58 1HB ASP 58 18.316 4.886 -5.914 472 HA PRO 59 HA PRO 59 20.447 0.429 -5.511 473 1HB PRO 59 2HB PRO 59 21.583 -0.715 -7.702 474 2HB PRO 59 1HB PRO 59 20.112 -1.333 -6.945 475 1HG PRO 59 2HG PRO 59 20.410 0.404 -9.364 476 2HG PRO 59 1HG PRO 59 19.338 -0.985 -9.109 477 1HD PRO 59 2HD PRO 59 18.470 1.568 -8.915 478 2HD PRO 59 1HD PRO 59 17.801 0.260 -7.919 479 H SER 60 H SER 60 21.138 2.862 -5.314 480 HA SER 60 HA SER 60 23.224 3.719 -7.092 481 1HB SER 60 2HB SER 60 21.788 5.351 -5.939 482 2HB SER 60 1HB SER 60 22.406 4.798 -4.383 483 HG SER 60 HG SER 60 23.429 6.644 -5.965 484 H ASN 61 H ASN 61 23.133 2.626 -3.702 485 HA ASN 61 HA ASN 61 26.031 2.147 -3.858 486 1HB ASN 61 2HB ASN 61 24.187 2.710 -1.545 487 2HB ASN 61 1HB ASN 61 25.775 1.990 -1.295 488 1HD2 ASN 61 1HD2 ASN 61 25.251 4.337 -0.116 489 2HD2 ASN 61 2HD2 ASN 61 26.121 5.623 -0.893 490 H LYS 62 H LYS 62 26.622 0.115 -4.173 491 HA LYS 62 HA LYS 62 24.805 -2.035 -3.329 492 1HB LYS 62 2HB LYS 62 26.644 -1.678 -5.611 493 2HB LYS 62 1HB LYS 62 26.634 -3.286 -4.898 494 1HG LYS 62 2HG LYS 62 23.960 -2.701 -5.114 495 2HG LYS 62 1HG LYS 62 24.647 -1.962 -6.562 496 1HD LYS 62 2HD LYS 62 25.171 -4.805 -5.705 497 2HD LYS 62 1HD LYS 62 23.914 -4.336 -6.852 498 1HE LYS 62 2HE LYS 62 25.482 -4.616 -8.422 499 2HE LYS 62 1HE LYS 62 26.132 -3.079 -7.856 500 1HZ LYS 62 1HZ LYS 62 27.813 -4.846 -7.982 501 2HZ LYS 62 2HZ LYS 62 26.958 -5.740 -6.829 502 3HZ LYS 62 3HZ LYS 62 27.633 -4.247 -6.410 503 H LYS 63 H LYS 63 28.322 -1.525 -3.678 504 HA LYS 63 HA LYS 63 28.684 -2.836 -1.073 505 1HB LYS 63 2HB LYS 63 29.995 -3.487 -3.684 506 2HB LYS 63 1HB LYS 63 30.885 -3.726 -2.187 507 1HG LYS 63 2HG LYS 63 29.961 -5.792 -2.453 508 2HG LYS 63 1HG LYS 63 28.716 -5.017 -1.474 509 1HD LYS 63 2HD LYS 63 27.199 -5.154 -3.112 510 2HD LYS 63 1HD LYS 63 28.341 -4.570 -4.326 511 1HE LYS 63 2HE LYS 63 28.598 -7.354 -3.273 512 2HE LYS 63 1HE LYS 63 27.363 -6.992 -4.478 513 1HZ LYS 63 1HZ LYS 63 29.046 -6.210 -5.976 514 2HZ LYS 63 2HZ LYS 63 29.472 -7.760 -5.449 515 3HZ LYS 63 3HZ LYS 63 30.254 -6.405 -4.808 516 H THR 64 H THR 64 30.645 -2.267 0.038 517 HA THR 64 HA THR 64 32.192 -0.040 -0.996 518 HB THR 64 HB THR 64 30.354 1.149 0.017 519 HG1 THR 64 1HG THR 64 31.508 2.329 1.549 520 1HG2 THR 64 1HG2 THR 64 29.966 -0.902 1.681 521 2HG2 THR 64 2HG2 THR 64 29.368 0.727 1.993 522 3HG2 THR 64 3HG2 THR 64 30.863 0.176 2.750 523 H THR 65 H THR 65 34.043 -1.243 -0.857 524 HA THR 65 HA THR 65 34.881 -2.007 1.863 525 HB THR 65 HB THR 65 36.376 -3.683 0.421 526 HG1 THR 65 1HG THR 65 35.079 -4.503 -1.289 527 1HG2 THR 65 1HG2 THR 65 35.213 -4.920 1.873 528 2HG2 THR 65 2HG2 THR 65 34.152 -5.216 0.496 529 3HG2 THR 65 3HG2 THR 65 33.744 -3.966 1.671 530 H ALA 66 H ALA 66 35.305 0.497 0.462 531 HA ALA 66 HA ALA 66 37.965 0.578 -0.564 532 1HB ALA 66 1HB ALA 66 35.873 2.259 -0.733 533 2HB ALA 66 2HB ALA 66 37.541 2.743 -1.043 534 3HB ALA 66 3HB ALA 66 36.806 3.060 0.529 Start of MODEL 6 1 1H MET 1 1HT MET 1 1.848 15.051 4.368 2 2H MET 1 2HT MET 1 2.974 15.903 3.392 3 3H MET 1 3HT MET 1 3.212 15.797 5.088 4 HA MET 1 HA MET 1 4.600 14.326 3.662 5 1HB MET 1 2HB MET 1 3.680 14.130 6.190 6 2HB MET 1 1HB MET 1 3.026 12.639 5.528 7 1HG MET 1 2HG MET 1 5.029 11.654 5.426 8 2HG MET 1 1HG MET 1 5.834 13.118 4.868 9 1HE MET 1 1HE MET 1 5.129 15.234 7.145 10 2HE MET 1 2HE MET 1 6.717 15.009 6.411 11 3HE MET 1 3HE MET 1 6.552 15.035 8.168 12 H GLU 2 H GLU 2 4.698 12.501 2.377 13 HA GLU 2 HA GLU 2 2.523 12.006 0.666 14 1HB GLU 2 2HB GLU 2 5.225 10.857 1.074 15 2HB GLU 2 1HB GLU 2 4.064 9.838 0.235 16 1HG GLU 2 2HG GLU 2 4.141 11.070 -1.626 17 2HG GLU 2 1HG GLU 2 4.145 12.593 -0.737 18 H GLN 3 H GLN 3 1.012 10.403 0.568 19 HA GLN 3 HA GLN 3 0.670 8.823 3.009 20 1HB GLN 3 2HB GLN 3 -1.133 10.048 1.042 21 2HB GLN 3 1HB GLN 3 -1.598 8.419 1.510 22 1HG GLN 3 2HG GLN 3 -0.874 10.202 3.726 23 2HG GLN 3 1HG GLN 3 -2.324 10.654 2.830 24 1HE2 GLN 3 1HE2 GLN 3 -0.827 7.657 4.021 25 2HE2 GLN 3 2HE2 GLN 3 -2.276 7.017 4.731 26 H ARG 4 H ARG 4 2.657 8.014 1.173 27 HA ARG 4 HA ARG 4 1.526 5.728 -0.246 28 1HB ARG 4 2HB ARG 4 4.323 6.868 -0.166 29 2HB ARG 4 1HB ARG 4 3.869 5.437 -1.084 30 1HG ARG 4 2HG ARG 4 2.911 6.631 -2.719 31 2HG ARG 4 1HG ARG 4 2.206 7.797 -1.598 32 1HD ARG 4 2HD ARG 4 3.760 9.041 -2.824 33 2HD ARG 4 1HD ARG 4 4.585 8.685 -1.306 34 HE ARG 4 HE ARG 4 5.326 6.656 -2.970 35 1HH1 ARG 4 1HH1 ARG 4 5.479 10.138 -3.135 36 2HH1 ARG 4 2HH1 ARG 4 6.907 10.155 -4.113 37 1HH2 ARG 4 1HH2 ARG 4 7.206 6.676 -4.258 38 2HH2 ARG 4 2HH2 ARG 4 7.888 8.189 -4.753 39 H ILE 5 H ILE 5 0.911 4.629 1.739 40 HA ILE 5 HA ILE 5 2.950 3.730 3.547 41 HB ILE 5 HB ILE 5 0.169 2.598 3.325 42 1HG1 ILE 5 2HG1 ILE 5 0.684 4.797 5.225 43 2HG1 ILE 5 1HG1 ILE 5 0.604 5.247 3.539 44 1HG2 ILE 5 1HG2 ILE 5 2.313 2.643 5.390 45 2HG2 ILE 5 2HG2 ILE 5 1.255 1.324 4.891 46 3HG2 ILE 5 3HG2 ILE 5 0.630 2.615 5.915 47 1HD1 ILE 5 1HD1 ILE 5 -1.531 5.176 5.115 48 2HD1 ILE 5 2HD1 ILE 5 -1.551 3.505 4.551 49 3HD1 ILE 5 3HD1 ILE 5 -1.613 4.831 3.388 50 H THR 6 H THR 6 3.168 1.414 4.043 51 HA THR 6 HA THR 6 3.745 -0.049 1.601 52 HB THR 6 HB THR 6 4.445 -1.708 3.693 53 HG1 THR 6 1HG THR 6 5.483 -0.291 5.171 54 1HG2 THR 6 1HG2 THR 6 6.573 -1.398 3.025 55 2HG2 THR 6 2HG2 THR 6 6.424 0.359 2.986 56 3HG2 THR 6 3HG2 THR 6 5.772 -0.610 1.665 57 H LEU 7 H LEU 7 2.886 -2.034 1.034 58 HA LEU 7 HA LEU 7 0.198 -2.499 1.598 59 1HB LEU 7 2HB LEU 7 1.339 -3.332 -0.408 60 2HB LEU 7 1HB LEU 7 2.261 -4.451 0.578 61 HG LEU 7 HG LEU 7 -0.018 -5.428 1.271 62 1HD1 LEU 7 1HD1 LEU 7 -0.829 -3.928 -1.216 63 2HD1 LEU 7 2HD1 LEU 7 -1.402 -3.614 0.422 64 3HD1 LEU 7 3HD1 LEU 7 -1.802 -5.135 -0.374 65 1HD2 LEU 7 1HD2 LEU 7 0.673 -5.798 -1.626 66 2HD2 LEU 7 2HD2 LEU 7 0.073 -6.989 -0.471 67 3HD2 LEU 7 3HD2 LEU 7 1.724 -6.382 -0.336 68 H LYS 8 H LYS 8 3.103 -3.832 3.067 69 HA LYS 8 HA LYS 8 1.897 -5.875 4.567 70 1HB LYS 8 2HB LYS 8 4.370 -5.526 4.159 71 2HB LYS 8 1HB LYS 8 4.321 -4.282 5.400 72 1HG LYS 8 2HG LYS 8 3.810 -5.841 7.089 73 2HG LYS 8 1HG LYS 8 3.426 -7.100 5.914 74 1HD LYS 8 2HD LYS 8 6.167 -5.881 6.140 75 2HD LYS 8 1HD LYS 8 5.671 -7.280 7.094 76 1HE LYS 8 2HE LYS 8 5.293 -7.302 4.132 77 2HE LYS 8 1HE LYS 8 6.894 -7.605 4.806 78 1HZ LYS 8 1HZ LYS 8 5.438 -9.608 4.387 79 2HZ LYS 8 2HZ LYS 8 4.502 -9.100 5.701 80 3HZ LYS 8 3HZ LYS 8 6.131 -9.498 5.928 81 H ASP 9 H ASP 9 2.167 -2.436 5.098 82 HA ASP 9 HA ASP 9 1.308 -2.582 7.851 83 1HB ASP 9 2HB ASP 9 1.820 -0.292 5.955 84 2HB ASP 9 1HB ASP 9 1.174 -0.046 7.576 85 H TYR 10 H TYR 10 -0.087 -1.482 4.775 86 HA TYR 10 HA TYR 10 -2.572 -0.671 5.753 87 1HB TYR 10 2HB TYR 10 -1.588 -0.315 3.422 88 2HB TYR 10 1HB TYR 10 -2.165 -1.937 3.047 89 HD1 TYR 10 1HD TYR 10 -4.721 -2.342 3.645 90 HD2 TYR 10 2HD TYR 10 -2.968 1.468 2.934 91 HE1 TYR 10 1HE TYR 10 -6.939 -1.430 3.098 92 HE2 TYR 10 2HE TYR 10 -5.179 2.391 2.386 93 HH TYR 10 HH TYR 10 -7.939 0.397 1.913 94 H ALA 11 H ALA 11 -1.398 -3.853 4.821 95 HA ALA 11 HA ALA 11 -3.927 -5.150 4.925 96 1HB ALA 11 1HB ALA 11 -2.396 -7.230 5.169 97 2HB ALA 11 2HB ALA 11 -1.089 -6.088 4.858 98 3HB ALA 11 3HB ALA 11 -2.370 -6.308 3.666 99 H MET 12 H MET 12 -1.171 -5.126 7.188 100 HA MET 12 HA MET 12 -2.550 -6.549 9.210 101 1HB MET 12 2HB MET 12 0.079 -5.406 8.824 102 2HB MET 12 1HB MET 12 -0.505 -5.103 10.454 103 1HG MET 12 2HG MET 12 -0.240 -7.226 11.063 104 2HG MET 12 1HG MET 12 -0.958 -7.839 9.575 105 1HE MET 12 1HE MET 12 1.544 -8.577 7.218 106 2HE MET 12 2HE MET 12 -0.079 -8.722 7.893 107 3HE MET 12 3HE MET 12 1.204 -9.801 8.440 108 H ARG 13 H ARG 13 -2.392 -3.225 8.326 109 HA ARG 13 HA ARG 13 -3.456 -2.305 10.871 110 1HB ARG 13 2HB ARG 13 -1.741 -1.003 9.581 111 2HB ARG 13 1HB ARG 13 -2.972 -0.707 8.356 112 1HG ARG 13 2HG ARG 13 -3.474 1.132 9.497 113 2HG ARG 13 1HG ARG 13 -4.205 0.062 10.702 114 1HD ARG 13 2HD ARG 13 -2.103 -0.022 11.925 115 2HD ARG 13 1HD ARG 13 -1.332 0.986 10.702 116 HE ARG 13 HE ARG 13 -2.976 1.865 12.860 117 1HH1 ARG 13 1HH1 ARG 13 -2.032 2.596 9.580 118 2HH1 ARG 13 2HH1 ARG 13 -2.363 4.290 9.730 119 1HH2 ARG 13 1HH2 ARG 13 -3.413 4.092 13.059 120 2HH2 ARG 13 2HH2 ARG 13 -3.145 5.138 11.705 121 H PHE 14 H PHE 14 -4.449 -1.840 7.472 122 HA PHE 14 HA PHE 14 -7.190 -1.461 8.323 123 1HB PHE 14 2HB PHE 14 -5.773 -1.162 5.679 124 2HB PHE 14 1HB PHE 14 -7.489 -0.888 5.903 125 HD1 PHE 14 1HD PHE 14 -8.270 0.996 7.303 126 HD2 PHE 14 2HD PHE 14 -4.163 0.436 6.408 127 HE1 PHE 14 1HE PHE 14 -7.811 3.292 7.994 128 HE2 PHE 14 2HE PHE 14 -3.694 2.727 7.097 129 HZ PHE 14 HZ PHE 14 -5.525 4.139 7.884 130 H GLY 15 H GLY 15 -5.783 -4.164 8.289 131 1HA GLY 15 2HA GLY 15 -6.378 -6.332 7.838 132 2HA GLY 15 1HA GLY 15 -7.982 -5.712 7.480 133 H GLN 16 H GLN 16 -6.453 -7.842 6.165 134 HA GLN 16 HA GLN 16 -5.482 -6.928 3.665 135 1HB GLN 16 2HB GLN 16 -6.272 -9.584 4.790 136 2HB GLN 16 1HB GLN 16 -6.026 -9.435 3.055 137 1HG GLN 16 2HG GLN 16 -3.896 -9.885 3.500 138 2HG GLN 16 1HG GLN 16 -3.799 -8.214 4.055 139 1HE2 GLN 16 1HE2 GLN 16 -3.090 -11.302 4.851 140 2HE2 GLN 16 2HE2 GLN 16 -3.043 -11.160 6.582 141 H THR 17 H THR 17 -8.655 -7.753 4.854 142 HA THR 17 HA THR 17 -9.958 -8.118 2.386 143 HB THR 17 HB THR 17 -11.090 -7.086 4.990 144 HG1 THR 17 1HG THR 17 -11.570 -9.251 5.375 145 1HG2 THR 17 1HG2 THR 17 -13.210 -7.556 4.264 146 2HG2 THR 17 2HG2 THR 17 -12.650 -8.675 3.018 147 3HG2 THR 17 3HG2 THR 17 -12.480 -6.935 2.785 148 H LYS 18 H LYS 18 -9.860 -5.246 4.502 149 HA LYS 18 HA LYS 18 -11.210 -3.520 2.772 150 1HB LYS 18 2HB LYS 18 -10.350 -3.283 5.285 151 2HB LYS 18 1HB LYS 18 -9.051 -2.415 4.492 152 1HG LYS 18 2HG LYS 18 -10.490 -0.769 3.665 153 2HG LYS 18 1HG LYS 18 -11.920 -1.752 3.968 154 1HD LYS 18 2HD LYS 18 -12.070 -1.087 6.109 155 2HD LYS 18 1HD LYS 18 -10.320 -1.207 6.360 156 1HE LYS 18 2HE LYS 18 -10.070 0.989 6.109 157 2HE LYS 18 1HE LYS 18 -10.960 0.976 4.586 158 1HZ LYS 18 1HZ LYS 18 -12.350 2.254 5.802 159 2HZ LYS 18 2HZ LYS 18 -11.890 1.575 7.283 160 3HZ LYS 18 3HZ LYS 18 -12.970 0.750 6.272 161 H THR 19 H THR 19 -7.861 -4.501 2.873 162 HA THR 19 HA THR 19 -6.739 -2.487 1.286 163 HB THR 19 HB THR 19 -5.855 -5.368 1.228 164 HG1 THR 19 1HG THR 19 -5.991 -5.018 3.359 165 1HG2 THR 19 1HG2 THR 19 -4.280 -4.400 -0.041 166 2HG2 THR 19 2HG2 THR 19 -3.621 -3.909 1.519 167 3HG2 THR 19 3HG2 THR 19 -4.611 -2.786 0.587 168 H ALA 20 H ALA 20 -8.132 -5.623 0.363 169 HA ALA 20 HA ALA 20 -7.718 -5.213 -2.434 170 1HB ALA 20 1HB ALA 20 -8.441 -7.337 -2.688 171 2HB ALA 20 2HB ALA 20 -9.798 -7.122 -1.583 172 3HB ALA 20 3HB ALA 20 -8.179 -7.404 -0.946 173 H LYS 21 H LYS 21 -10.270 -4.475 -0.181 174 HA LYS 21 HA LYS 21 -12.290 -4.027 -2.158 175 1HB LYS 21 2HB LYS 21 -12.730 -4.600 0.245 176 2HB LYS 21 1HB LYS 21 -12.200 -2.979 0.673 177 1HG LYS 21 2HG LYS 21 -14.040 -2.371 -1.176 178 2HG LYS 21 1HG LYS 21 -14.710 -3.889 -0.573 179 1HD LYS 21 2HD LYS 21 -14.330 -2.885 1.765 180 2HD LYS 21 1HD LYS 21 -14.170 -1.343 0.921 181 1HE LYS 21 2HE LYS 21 -16.510 -2.948 0.146 182 2HE LYS 21 1HE LYS 21 -16.520 -2.373 1.813 183 1HZ LYS 21 1HZ LYS 21 -17.420 -0.563 0.848 184 2HZ LYS 21 2HZ LYS 21 -16.730 -0.872 -0.667 185 3HZ LYS 21 3HZ LYS 21 -15.800 -0.156 0.549 186 H ASP 22 H ASP 22 -10.080 -1.954 -0.322 187 HA ASP 22 HA ASP 22 -11.080 0.497 -1.319 188 1HB ASP 22 2HB ASP 22 -8.804 -0.402 0.299 189 2HB ASP 22 1HB ASP 22 -8.475 1.036 -0.669 190 H LEU 23 H LEU 23 -8.599 -1.729 -2.430 191 HA LEU 23 HA LEU 23 -7.677 0.044 -4.506 192 1HB LEU 23 2HB LEU 23 -7.020 -2.707 -3.588 193 2HB LEU 23 1HB LEU 23 -6.610 -2.280 -5.238 194 HG LEU 23 HG LEU 23 -5.602 -0.146 -3.853 195 1HD1 LEU 23 1HD1 LEU 23 -4.358 -1.041 -1.959 196 2HD1 LEU 23 2HD1 LEU 23 -5.149 -2.604 -2.168 197 3HD1 LEU 23 3HD1 LEU 23 -6.096 -1.190 -1.704 198 1HD2 LEU 23 1HD2 LEU 23 -3.821 -2.489 -4.126 199 2HD2 LEU 23 2HD2 LEU 23 -3.621 -0.835 -4.704 200 3HD2 LEU 23 3HD2 LEU 23 -4.661 -1.957 -5.581 201 H GLY 24 H GLY 24 -8.959 -3.276 -4.743 202 1HA GLY 24 2HA GLY 24 -11.190 -3.040 -6.186 203 2HA GLY 24 1HA GLY 24 -9.975 -2.674 -7.401 204 H VAL 25 H VAL 25 -8.087 -4.576 -6.023 205 HA VAL 25 HA VAL 25 -8.878 -6.913 -7.511 206 HB VAL 25 HB VAL 25 -6.728 -7.870 -6.604 207 1HG1 VAL 25 1HG1 VAL 25 -6.754 -5.292 -8.147 208 2HG1 VAL 25 2HG1 VAL 25 -6.659 -6.940 -8.768 209 3HG1 VAL 25 3HG1 VAL 25 -5.286 -6.240 -7.909 210 1HG2 VAL 25 1HG2 VAL 25 -6.946 -5.977 -4.678 211 2HG2 VAL 25 2HG2 VAL 25 -5.805 -5.205 -5.777 212 3HG2 VAL 25 3HG2 VAL 25 -5.441 -6.794 -5.103 213 H GLN 26 H GLN 26 -8.262 -9.094 -6.261 214 HA GLN 26 HA GLN 26 -10.100 -9.180 -3.990 215 1HB GLN 26 2HB GLN 26 -10.130 -11.603 -4.354 216 2HB GLN 26 1HB GLN 26 -10.530 -10.733 -5.828 217 1HG GLN 26 2HG GLN 26 -7.709 -11.216 -5.686 218 2HG GLN 26 1HG GLN 26 -8.607 -12.720 -5.487 219 1HE2 GLN 26 1HE2 GLN 26 -6.950 -11.483 -7.705 220 2HE2 GLN 26 2HE2 GLN 26 -7.943 -11.647 -9.109 221 H GLN 27 H GLN 27 -9.483 -10.990 -2.350 222 HA GLN 27 HA GLN 27 -7.114 -10.130 -1.045 223 1HB GLN 27 2HB GLN 27 -8.794 -12.570 -0.449 224 2HB GLN 27 1HB GLN 27 -7.653 -11.795 0.643 225 1HG GLN 27 2HG GLN 27 -9.270 -10.504 1.409 226 2HG GLN 27 1HG GLN 27 -9.478 -9.814 -0.198 227 1HE2 GLN 27 1HE2 GLN 27 -11.240 -10.848 2.146 228 2HE2 GLN 27 2HE2 GLN 27 -12.490 -11.716 1.321 229 H SER 28 H SER 28 -7.797 -12.624 -3.311 230 HA SER 28 HA SER 28 -5.698 -14.402 -2.707 231 1HB SER 28 2HB SER 28 -6.676 -13.991 -5.515 232 2HB SER 28 1HB SER 28 -6.230 -15.490 -4.701 233 HG SER 28 HG SER 28 -8.128 -15.247 -3.425 234 H ALA 29 H ALA 29 -5.828 -11.414 -4.505 235 HA ALA 29 HA ALA 29 -3.214 -11.761 -5.680 236 1HB ALA 29 1HB ALA 29 -3.693 -9.953 -6.950 237 2HB ALA 29 2HB ALA 29 -4.432 -9.073 -5.612 238 3HB ALA 29 3HB ALA 29 -5.344 -10.326 -6.452 239 H ILE 30 H ILE 30 -4.639 -9.832 -3.067 240 HA ILE 30 HA ILE 30 -2.379 -8.341 -2.387 241 HB ILE 30 HB ILE 30 -4.446 -9.364 -0.438 242 1HG1 ILE 30 2HG1 ILE 30 -5.613 -8.327 -2.282 243 2HG1 ILE 30 1HG1 ILE 30 -5.634 -7.219 -0.914 244 1HG2 ILE 30 1HG2 ILE 30 -2.808 -8.381 0.854 245 2HG2 ILE 30 2HG2 ILE 30 -3.889 -7.019 0.549 246 3HG2 ILE 30 3HG2 ILE 30 -2.400 -7.190 -0.381 247 1HD1 ILE 30 1HD1 ILE 30 -3.778 -7.052 -3.277 248 2HD1 ILE 30 2HD1 ILE 30 -3.836 -5.929 -1.918 249 3HD1 ILE 30 3HD1 ILE 30 -5.213 -6.062 -3.013 250 H ASN 31 H ASN 31 -3.501 -11.450 -1.062 251 HA ASN 31 HA ASN 31 -1.361 -11.836 0.711 252 1HB ASN 31 2HB ASN 31 -3.341 -13.666 -0.606 253 2HB ASN 31 1HB ASN 31 -2.004 -14.347 0.319 254 1HD2 ASN 31 1HD2 ASN 31 -2.271 -14.581 2.420 255 2HD2 ASN 31 2HD2 ASN 31 -3.510 -13.827 3.376 256 H LYS 32 H LYS 32 -1.763 -12.560 -2.699 257 HA LYS 32 HA LYS 32 0.528 -14.156 -3.028 258 1HB LYS 32 2HB LYS 32 -1.517 -13.026 -4.682 259 2HB LYS 32 1HB LYS 32 0.047 -12.733 -5.430 260 1HG LYS 32 2HG LYS 32 0.487 -14.978 -5.699 261 2HG LYS 32 1HG LYS 32 -0.639 -15.457 -4.427 262 1HD LYS 32 2HD LYS 32 -2.523 -14.964 -5.816 263 2HD LYS 32 1HD LYS 32 -1.493 -14.223 -7.041 264 1HE LYS 32 2HE LYS 32 -0.461 -16.787 -6.692 265 2HE LYS 32 1HE LYS 32 -2.211 -16.998 -6.660 266 1HZ LYS 32 1HZ LYS 32 -1.117 -15.289 -8.756 267 2HZ LYS 32 2HZ LYS 32 -2.419 -16.366 -8.810 268 3HZ LYS 32 3HZ LYS 32 -0.834 -16.951 -8.900 269 H TRP 33 H TRP 33 0.023 -10.714 -2.985 270 HA TRP 33 HA TRP 33 2.492 -9.959 -4.125 271 1HB TRP 33 2HB TRP 33 0.486 -8.568 -2.387 272 2HB TRP 33 1HB TRP 33 1.893 -7.750 -3.049 273 HD1 TRP 33 HD TRP 33 1.261 -9.812 -5.714 274 HE1 TRP 33 1HE TRP 33 -0.372 -8.851 -7.459 275 HE3 TRP 33 3HE TRP 33 -0.862 -6.218 -2.850 276 HZ2 TRP 33 2HZ TRP 33 -2.322 -6.806 -7.579 277 HZ3 TRP 33 3HZ TRP 33 -2.615 -4.782 -3.829 278 HH2 TRP 33 HH TRP 33 -3.330 -5.075 -6.148 279 H ILE 34 H ILE 34 1.367 -10.222 -0.762 280 HA ILE 34 HA ILE 34 3.951 -9.558 0.315 281 HB ILE 34 HB ILE 34 1.607 -10.779 1.773 282 1HG1 ILE 34 2HG1 ILE 34 2.083 -7.886 2.031 283 2HG1 ILE 34 1HG1 ILE 34 1.534 -8.389 0.435 284 1HG2 ILE 34 1HG2 ILE 34 3.210 -8.946 3.291 285 2HG2 ILE 34 2HG2 ILE 34 4.227 -10.204 2.590 286 3HG2 ILE 34 3HG2 ILE 34 2.854 -10.644 3.605 287 1HD1 ILE 34 1HD1 ILE 34 -0.540 -8.722 1.152 288 2HD1 ILE 34 2HD1 ILE 34 -0.056 -7.841 2.601 289 3HD1 ILE 34 3HD1 ILE 34 0.002 -9.603 2.580 290 H HIS 35 H HIS 35 2.358 -12.424 -0.734 291 HA HIS 35 HA HIS 35 3.744 -14.308 0.863 292 1HB HIS 35 2HB HIS 35 1.959 -14.359 -1.474 293 2HB HIS 35 1HB HIS 35 3.104 -15.690 -1.404 294 HD1 HIS 35 1HD HIS 35 2.093 -14.565 1.921 295 HD2 HIS 35 2HD HIS 35 0.689 -17.234 -0.938 296 HE1 HIS 35 1HE HIS 35 0.475 -16.060 3.135 297 HE2 HIS 35 2HE HIS 35 -0.293 -17.724 1.405 298 H ALA 36 H ALA 36 4.389 -12.780 -2.197 299 HA ALA 36 HA ALA 36 6.844 -14.336 -2.527 300 1HB ALA 36 1HB ALA 36 6.804 -13.812 -4.773 301 2HB ALA 36 2HB ALA 36 5.883 -12.329 -4.518 302 3HB ALA 36 3HB ALA 36 5.085 -13.897 -4.386 303 H GLY 37 H GLY 37 5.767 -11.273 -1.463 304 1HA GLY 37 2HA GLY 37 7.147 -9.733 -0.334 305 2HA GLY 37 1HA GLY 37 8.543 -10.423 -1.147 306 H ARG 38 H ARG 38 5.680 -9.551 -2.927 307 HA ARG 38 HA ARG 38 7.122 -7.876 -4.690 308 1HB ARG 38 2HB ARG 38 4.881 -9.189 -5.023 309 2HB ARG 38 1HB ARG 38 4.143 -7.713 -4.416 310 1HG ARG 38 2HG ARG 38 5.305 -6.455 -6.212 311 2HG ARG 38 1HG ARG 38 5.880 -7.995 -6.856 312 1HD ARG 38 2HD ARG 38 3.589 -8.731 -7.195 313 2HD ARG 38 1HD ARG 38 2.983 -7.235 -6.484 314 HE ARG 38 HE ARG 38 4.707 -6.832 -8.751 315 1HH1 ARG 38 1HH1 ARG 38 1.427 -7.421 -7.716 316 2HH1 ARG 38 2HH1 ARG 38 0.722 -6.744 -9.146 317 1HH2 ARG 38 1HH2 ARG 38 3.781 -5.941 -10.632 318 2HH2 ARG 38 2HH2 ARG 38 2.059 -5.904 -10.802 319 H LYS 39 H LYS 39 8.039 -6.074 -3.888 320 HA LYS 39 HA LYS 39 7.017 -4.485 -1.816 321 1HB LYS 39 2HB LYS 39 9.280 -4.450 -3.587 322 2HB LYS 39 1HB LYS 39 8.599 -2.832 -3.479 323 1HG LYS 39 2HG LYS 39 9.247 -2.561 -1.344 324 2HG LYS 39 1HG LYS 39 8.905 -4.238 -0.915 325 1HD LYS 39 2HD LYS 39 11.004 -4.930 -1.414 326 2HD LYS 39 1HD LYS 39 11.171 -3.800 -2.758 327 1HE LYS 39 2HE LYS 39 11.576 -1.976 -1.224 328 2HE LYS 39 1HE LYS 39 11.282 -3.034 0.156 329 1HZ LYS 39 1HZ LYS 39 13.273 -4.119 -0.142 330 2HZ LYS 39 2HZ LYS 39 13.692 -2.542 -0.584 331 3HZ LYS 39 3HZ LYS 39 13.397 -3.704 -1.777 332 H ILE 40 H ILE 40 5.417 -3.059 -1.760 333 HA ILE 40 HA ILE 40 4.739 -1.494 -4.112 334 HB ILE 40 HB ILE 40 2.644 -3.204 -2.765 335 1HG1 ILE 40 2HG1 ILE 40 3.937 -3.444 -5.490 336 2HG1 ILE 40 1HG1 ILE 40 4.092 -4.581 -4.155 337 1HG2 ILE 40 1HG2 ILE 40 1.661 -1.165 -3.488 338 2HG2 ILE 40 2HG2 ILE 40 1.234 -2.394 -4.679 339 3HG2 ILE 40 3HG2 ILE 40 2.511 -1.229 -5.033 340 1HD1 ILE 40 1HD1 ILE 40 1.552 -3.954 -5.639 341 2HD1 ILE 40 2HD1 ILE 40 1.727 -5.117 -4.325 342 3HD1 ILE 40 3HD1 ILE 40 2.554 -5.388 -5.860 343 H PHE 41 H PHE 41 3.254 0.257 -3.637 344 HA PHE 41 HA PHE 41 2.834 0.843 -0.805 345 1HB PHE 41 2HB PHE 41 4.352 2.624 -2.718 346 2HB PHE 41 1HB PHE 41 3.701 3.181 -1.180 347 HD1 PHE 41 1HD PHE 41 6.091 0.823 -2.727 348 HD2 PHE 41 2HD PHE 41 4.846 2.794 0.834 349 HE1 PHE 41 1HE PHE 41 8.138 0.060 -1.593 350 HE2 PHE 41 2HE PHE 41 6.891 2.035 1.973 351 HZ PHE 41 HZ PHE 41 8.540 0.666 0.759 352 H LEU 42 H LEU 42 0.747 1.309 -0.605 353 HA LEU 42 HA LEU 42 -0.734 2.323 -2.888 354 1HB LEU 42 2HB LEU 42 -2.681 2.052 -1.207 355 2HB LEU 42 1HB LEU 42 -1.942 0.626 -1.904 356 HG LEU 42 HG LEU 42 -2.476 0.576 0.578 357 1HD1 LEU 42 1HD1 LEU 42 -1.190 -1.206 0.364 358 2HD1 LEU 42 2HD1 LEU 42 0.177 -0.200 0.839 359 3HD1 LEU 42 3HD1 LEU 42 -0.205 -0.419 -0.868 360 1HD2 LEU 42 1HD2 LEU 42 -1.103 1.662 2.122 361 2HD2 LEU 42 2HD2 LEU 42 -1.496 2.899 0.928 362 3HD2 LEU 42 3HD2 LEU 42 0.078 2.108 0.893 363 H THR 43 H THR 43 -2.115 4.162 -2.761 364 HA THR 43 HA THR 43 -1.203 6.155 -0.794 365 HB THR 43 HB THR 43 -2.336 6.790 -3.515 366 HG1 THR 43 1HG THR 43 -0.136 7.067 -4.140 367 1HG2 THR 43 1HG2 THR 43 -2.234 8.868 -2.759 368 2HG2 THR 43 2HG2 THR 43 -0.478 8.704 -2.783 369 3HG2 THR 43 3HG2 THR 43 -1.373 8.372 -1.300 370 H ILE 44 H ILE 44 -2.685 6.633 0.668 371 HA ILE 44 HA ILE 44 -5.488 6.067 0.159 372 HB ILE 44 HB ILE 44 -4.260 7.214 2.666 373 1HG1 ILE 44 2HG1 ILE 44 -4.810 4.319 1.971 374 2HG1 ILE 44 1HG1 ILE 44 -3.215 5.055 2.072 375 1HG2 ILE 44 1HG2 ILE 44 -6.267 6.943 3.676 376 2HG2 ILE 44 2HG2 ILE 44 -6.686 5.527 2.711 377 3HG2 ILE 44 3HG2 ILE 44 -6.857 7.144 2.025 378 1HD1 ILE 44 1HD1 ILE 44 -3.520 5.458 4.436 379 2HD1 ILE 44 2HD1 ILE 44 -3.776 3.753 4.064 380 3HD1 ILE 44 3HD1 ILE 44 -5.158 4.809 4.355 381 H ASN 45 H ASN 45 -6.763 7.532 -0.738 382 HA ASN 45 HA ASN 45 -6.043 10.344 -0.691 383 1HB ASN 45 2HB ASN 45 -8.447 9.049 -1.991 384 2HB ASN 45 1HB ASN 45 -7.792 10.649 -2.323 385 1HD2 ASN 45 1HD2 ASN 45 -8.255 8.541 -4.195 386 2HD2 ASN 45 2HD2 ASN 45 -6.717 8.132 -4.890 387 H ALA 46 H ALA 46 -7.988 11.904 -0.426 388 HA ALA 46 HA ALA 46 -9.073 11.415 2.220 389 1HB ALA 46 1HB ALA 46 -10.010 13.843 1.627 390 2HB ALA 46 2HB ALA 46 -8.669 13.776 0.490 391 3HB ALA 46 3HB ALA 46 -8.376 13.568 2.216 392 H ASP 47 H ASP 47 -10.080 10.431 -0.671 393 HA ASP 47 HA ASP 47 -12.900 11.044 -0.200 394 1HB ASP 47 2HB ASP 47 -12.850 9.848 -2.654 395 2HB ASP 47 1HB ASP 47 -12.790 11.589 -2.389 396 H GLY 48 H GLY 48 -10.570 8.558 -0.096 397 1HA GLY 48 2HA GLY 48 -11.140 6.546 1.138 398 2HA GLY 48 1HA GLY 48 -12.720 6.584 0.344 399 H SER 49 H SER 49 -10.140 7.385 -1.724 400 HA SER 49 HA SER 49 -10.300 4.726 -2.950 401 1HB SER 49 2HB SER 49 -10.420 7.355 -4.018 402 2HB SER 49 1HB SER 49 -8.981 6.573 -4.654 403 HG SER 49 HG SER 49 -10.220 5.438 -5.887 404 H VAL 50 H VAL 50 -8.628 3.407 -2.793 405 HA VAL 50 HA VAL 50 -5.977 4.569 -2.230 406 HB VAL 50 HB VAL 50 -6.692 1.756 -1.477 407 1HG1 VAL 50 1HG1 VAL 50 -4.739 1.759 -0.361 408 2HG1 VAL 50 2HG1 VAL 50 -4.941 3.421 0.195 409 3HG1 VAL 50 3HG1 VAL 50 -4.348 3.102 -1.434 410 1HG2 VAL 50 1HG2 VAL 50 -7.219 2.616 0.813 411 2HG2 VAL 50 2HG2 VAL 50 -8.424 3.013 -0.411 412 3HG2 VAL 50 3HG2 VAL 50 -7.278 4.240 0.127 413 H TYR 51 H TYR 51 -4.588 4.351 -3.850 414 HA TYR 51 HA TYR 51 -4.893 2.038 -5.654 415 1HB TYR 51 2HB TYR 51 -4.081 3.370 -7.467 416 2HB TYR 51 1HB TYR 51 -5.343 4.300 -6.666 417 HD1 TYR 51 1HD TYR 51 -1.665 3.943 -6.983 418 HD2 TYR 51 2HD TYR 51 -4.897 6.445 -5.801 419 HE1 TYR 51 1HE TYR 51 -0.106 5.828 -6.737 420 HE2 TYR 51 2HE TYR 51 -3.346 8.339 -5.553 421 HH TYR 51 HH TYR 51 -0.889 8.665 -5.134 422 H ALA 52 H ALA 52 -3.094 0.864 -6.224 423 HA ALA 52 HA ALA 52 -0.702 1.370 -4.592 424 1HB ALA 52 1HB ALA 52 -1.893 -1.124 -5.747 425 2HB ALA 52 2HB ALA 52 -1.467 -0.761 -4.074 426 3HB ALA 52 3HB ALA 52 -0.198 -1.068 -5.261 427 H GLU 53 H GLU 53 1.397 0.954 -5.528 428 HA GLU 53 HA GLU 53 1.645 0.821 -8.399 429 1HB GLU 53 2HB GLU 53 2.767 2.942 -8.694 430 2HB GLU 53 1HB GLU 53 1.176 3.224 -8.003 431 1HG GLU 53 2HG GLU 53 2.235 3.414 -5.772 432 2HG GLU 53 1HG GLU 53 3.810 3.276 -6.554 433 H GLU 54 H GLU 54 3.959 0.823 -9.074 434 HA GLU 54 HA GLU 54 5.641 -0.292 -6.926 435 1HB GLU 54 2HB GLU 54 4.823 -1.686 -9.027 436 2HB GLU 54 1HB GLU 54 6.187 -0.889 -9.798 437 1HG GLU 54 2HG GLU 54 6.531 -2.316 -7.194 438 2HG GLU 54 1HG GLU 54 6.523 -3.203 -8.718 439 H VAL 55 H VAL 55 7.777 0.325 -6.767 440 HA VAL 55 HA VAL 55 8.502 2.723 -8.313 441 HB VAL 55 HB VAL 55 9.683 1.846 -5.677 442 1HG1 VAL 55 1HG1 VAL 55 10.742 3.924 -5.599 443 2HG1 VAL 55 2HG1 VAL 55 9.700 4.606 -6.849 444 3HG1 VAL 55 3HG1 VAL 55 10.930 3.419 -7.279 445 1HG2 VAL 55 1HG2 VAL 55 8.283 3.783 -4.781 446 2HG2 VAL 55 2HG2 VAL 55 7.437 2.281 -5.153 447 3HG2 VAL 55 3HG2 VAL 55 7.350 3.642 -6.270 448 H LYS 56 H LYS 56 10.436 2.841 -9.376 449 HA LYS 56 HA LYS 56 12.186 0.480 -9.249 450 1HB LYS 56 2HB LYS 56 10.650 0.619 -11.303 451 2HB LYS 56 1HB LYS 56 11.655 1.968 -11.810 452 1HG LYS 56 2HG LYS 56 12.821 0.375 -12.868 453 2HG LYS 56 1HG LYS 56 13.551 0.123 -11.282 454 1HD LYS 56 2HD LYS 56 11.041 -1.322 -11.628 455 2HD LYS 56 1HD LYS 56 12.276 -1.791 -12.798 456 1HE LYS 56 2HE LYS 56 13.766 -1.765 -10.572 457 2HE LYS 56 1HE LYS 56 12.198 -2.150 -9.862 458 1HZ LYS 56 1HZ LYS 56 12.969 -3.661 -12.231 459 2HZ LYS 56 2HZ LYS 56 12.149 -4.170 -10.842 460 3HZ LYS 56 3HZ LYS 56 13.831 -3.992 -10.812 461 HA PRO 57 HA PRO 57 15.213 3.689 -8.534 462 1HB PRO 57 2HB PRO 57 17.408 2.110 -8.470 463 2HB PRO 57 1HB PRO 57 16.250 2.180 -7.138 464 1HG PRO 57 2HG PRO 57 16.502 0.147 -9.321 465 2HG PRO 57 1HG PRO 57 16.215 -0.102 -7.588 466 1HD PRO 57 2HD PRO 57 14.230 -0.188 -9.438 467 2HD PRO 57 1HD PRO 57 13.967 0.355 -7.769 468 H ASP 58 H ASP 58 17.707 3.808 -9.482 469 HA ASP 58 HA ASP 58 17.415 3.657 -12.411 470 1HB ASP 58 2HB ASP 58 17.879 5.937 -10.738 471 2HB ASP 58 1HB ASP 58 19.301 5.676 -11.751 472 HA PRO 59 HA PRO 59 21.147 1.299 -12.445 473 1HB PRO 59 2HB PRO 59 22.104 1.900 -14.911 474 2HB PRO 59 1HB PRO 59 20.701 0.856 -14.657 475 1HG PRO 59 2HG PRO 59 20.794 3.756 -15.391 476 2HG PRO 59 1HG PRO 59 19.761 2.471 -16.043 477 1HD PRO 59 2HD PRO 59 18.889 4.244 -14.191 478 2HD PRO 59 1HD PRO 59 18.298 2.572 -14.265 479 H SER 60 H SER 60 22.382 2.328 -10.850 480 HA SER 60 HA SER 60 24.768 3.535 -11.699 481 1HB SER 60 2HB SER 60 22.801 5.400 -11.763 482 2HB SER 60 1HB SER 60 23.349 5.580 -10.097 483 HG SER 60 HG SER 60 24.882 5.816 -12.467 484 H ASN 61 H ASN 61 22.443 3.215 -9.060 485 HA ASN 61 HA ASN 61 24.585 3.157 -7.088 486 1HB ASN 61 2HB ASN 61 22.204 4.254 -6.850 487 2HB ASN 61 1HB ASN 61 21.717 2.619 -6.414 488 1HD2 ASN 61 1HD2 ASN 61 23.935 5.228 -5.607 489 2HD2 ASN 61 2HD2 ASN 61 24.107 4.807 -3.932 490 H LYS 62 H LYS 62 25.595 1.213 -7.836 491 HA LYS 62 HA LYS 62 24.166 -1.210 -6.965 492 1HB LYS 62 2HB LYS 62 25.999 -0.909 -9.350 493 2HB LYS 62 1HB LYS 62 25.416 -2.451 -8.739 494 1HG LYS 62 2HG LYS 62 23.279 -2.102 -9.491 495 2HG LYS 62 1HG LYS 62 23.435 -0.344 -9.442 496 1HD LYS 62 2HD LYS 62 23.432 -0.862 -11.725 497 2HD LYS 62 1HD LYS 62 25.137 -0.629 -11.334 498 1HE LYS 62 2HE LYS 62 25.529 -2.635 -12.207 499 2HE LYS 62 1HE LYS 62 24.647 -3.330 -10.846 500 1HZ LYS 62 1HZ LYS 62 23.403 -2.477 -13.404 501 2HZ LYS 62 2HZ LYS 62 22.627 -3.256 -12.119 502 3HZ LYS 62 3HZ LYS 62 23.807 -4.073 -13.014 503 H LYS 63 H LYS 63 25.840 0.366 -5.337 504 HA LYS 63 HA LYS 63 27.878 -1.615 -4.701 505 1HB LYS 63 2HB LYS 63 28.583 0.684 -6.075 506 2HB LYS 63 1HB LYS 63 28.934 1.090 -4.402 507 1HG LYS 63 2HG LYS 63 30.743 -0.200 -4.369 508 2HG LYS 63 1HG LYS 63 29.885 -1.558 -5.103 509 1HD LYS 63 2HD LYS 63 30.376 -0.855 -7.267 510 2HD LYS 63 1HD LYS 63 30.716 0.799 -6.755 511 1HE LYS 63 2HE LYS 63 32.575 -0.644 -5.356 512 2HE LYS 63 1HE LYS 63 32.472 -1.538 -6.873 513 1HZ LYS 63 1HZ LYS 63 34.064 0.526 -6.568 514 2HZ LYS 63 2HZ LYS 63 32.676 1.371 -7.037 515 3HZ LYS 63 3HZ LYS 63 33.325 0.183 -8.051 516 H THR 64 H THR 64 25.507 -1.217 -3.383 517 HA THR 64 HA THR 64 25.876 0.565 -1.151 518 HB THR 64 HB THR 64 23.791 -0.722 -0.307 519 HG1 THR 64 1HG THR 64 23.279 -2.366 -1.477 520 1HG2 THR 64 1HG2 THR 64 23.197 0.522 -2.934 521 2HG2 THR 64 2HG2 THR 64 23.923 1.516 -1.671 522 3HG2 THR 64 3HG2 THR 64 22.383 0.705 -1.380 523 H THR 65 H THR 65 26.062 -0.071 1.047 524 HA THR 65 HA THR 65 27.647 -2.501 1.380 525 HB THR 65 HB THR 65 27.162 -0.315 3.406 526 HG1 THR 65 1HG THR 65 29.169 -0.542 1.422 527 1HG2 THR 65 1HG2 THR 65 28.510 -1.422 4.757 528 2HG2 THR 65 2HG2 THR 65 29.748 -1.519 3.505 529 3HG2 THR 65 3HG2 THR 65 28.504 -2.765 3.614 530 H ALA 66 H ALA 66 24.643 -1.034 2.407 531 HA ALA 66 HA ALA 66 24.063 -2.919 4.466 532 1HB ALA 66 1HB ALA 66 22.074 -1.794 4.756 533 2HB ALA 66 2HB ALA 66 21.923 -1.400 3.045 534 3HB ALA 66 3HB ALA 66 23.089 -0.538 4.048 Start of MODEL 7 1 1H MET 1 1HT MET 1 0.221 14.784 3.558 2 2H MET 1 2HT MET 1 0.495 16.478 3.539 3 3H MET 1 3HT MET 1 1.808 15.393 3.336 4 HA MET 1 HA MET 1 -0.384 16.009 1.492 5 1HB MET 1 2HB MET 1 1.687 17.400 1.556 6 2HB MET 1 1HB MET 1 2.625 15.960 1.189 7 1HG MET 1 2HG MET 1 1.879 15.854 -0.978 8 2HG MET 1 1HG MET 1 0.401 16.748 -0.625 9 1HE MET 1 1HE MET 1 0.064 18.693 -1.821 10 2HE MET 1 2HE MET 1 1.101 20.119 -1.835 11 3HE MET 1 3HE MET 1 0.403 19.551 -0.318 12 H GLU 2 H GLU 2 2.564 13.999 1.585 13 HA GLU 2 HA GLU 2 1.517 12.148 -0.321 14 1HB GLU 2 2HB GLU 2 3.987 12.253 1.383 15 2HB GLU 2 1HB GLU 2 3.584 10.790 0.494 16 1HG GLU 2 2HG GLU 2 4.239 11.656 -1.450 17 2HG GLU 2 1HG GLU 2 3.445 13.199 -1.136 18 H GLN 3 H GLN 3 0.666 10.133 -0.032 19 HA GLN 3 HA GLN 3 0.268 9.215 2.733 20 1HB GLN 3 2HB GLN 3 -1.759 10.347 1.540 21 2HB GLN 3 1HB GLN 3 -1.867 8.829 0.664 22 1HG GLN 3 2HG GLN 3 -3.350 8.960 2.640 23 2HG GLN 3 1HG GLN 3 -2.219 7.607 2.684 24 1HE2 GLN 3 1HE2 GLN 3 -0.686 7.513 4.259 25 2HE2 GLN 3 2HE2 GLN 3 -0.606 8.628 5.588 26 H ARG 4 H ARG 4 2.263 8.371 0.940 27 HA ARG 4 HA ARG 4 1.385 5.788 -0.094 28 1HB ARG 4 2HB ARG 4 3.809 5.648 -0.857 29 2HB ARG 4 1HB ARG 4 2.824 6.906 -1.593 30 1HG ARG 4 2HG ARG 4 3.853 8.600 -0.318 31 2HG ARG 4 1HG ARG 4 4.609 7.428 0.764 32 1HD ARG 4 2HD ARG 4 6.025 6.636 -1.033 33 2HD ARG 4 1HD ARG 4 5.223 7.711 -2.175 34 HE ARG 4 HE ARG 4 6.343 9.137 0.025 35 1HH1 ARG 4 1HH1 ARG 4 7.130 7.620 -3.018 36 2HH1 ARG 4 2HH1 ARG 4 8.518 8.617 -3.298 37 1HH2 ARG 4 1HH2 ARG 4 8.168 10.447 -0.340 38 2HH2 ARG 4 2HH2 ARG 4 9.109 10.221 -1.776 39 H ILE 5 H ILE 5 1.154 4.292 1.396 40 HA ILE 5 HA ILE 5 3.226 4.009 3.464 41 HB ILE 5 HB ILE 5 0.714 2.454 3.668 42 1HG1 ILE 5 2HG1 ILE 5 0.802 5.421 4.228 43 2HG1 ILE 5 1HG1 ILE 5 -0.091 4.640 2.929 44 1HG2 ILE 5 1HG2 ILE 5 1.218 3.723 6.066 45 2HG2 ILE 5 2HG2 ILE 5 2.829 3.464 5.394 46 3HG2 ILE 5 3HG2 ILE 5 1.738 2.096 5.623 47 1HD1 ILE 5 1HD1 ILE 5 -1.769 4.850 4.432 48 2HD1 ILE 5 2HD1 ILE 5 -0.682 4.782 5.819 49 3HD1 ILE 5 3HD1 ILE 5 -1.124 3.300 4.972 50 H THR 6 H THR 6 3.031 1.508 4.233 51 HA THR 6 HA THR 6 4.004 0.015 1.932 52 HB THR 6 HB THR 6 4.269 -1.659 4.100 53 HG1 THR 6 1HG THR 6 5.001 -0.338 5.786 54 1HG2 THR 6 1HG2 THR 6 5.993 -0.057 2.485 55 2HG2 THR 6 2HG2 THR 6 6.333 -1.568 3.330 56 3HG2 THR 6 3HG2 THR 6 6.543 -0.026 4.160 57 H LEU 7 H LEU 7 3.220 -2.009 1.306 58 HA LEU 7 HA LEU 7 0.403 -2.343 1.548 59 1HB LEU 7 2HB LEU 7 1.554 -2.994 -0.482 60 2HB LEU 7 1HB LEU 7 2.536 -4.146 0.402 61 HG LEU 7 HG LEU 7 0.331 -5.323 0.979 62 1HD1 LEU 7 1HD1 LEU 7 -1.601 -4.786 -0.083 63 2HD1 LEU 7 2HD1 LEU 7 -0.774 -4.141 -1.501 64 3HD1 LEU 7 3HD1 LEU 7 -0.877 -3.178 -0.025 65 1HD2 LEU 7 1HD2 LEU 7 1.955 -6.258 -0.553 66 2HD2 LEU 7 2HD2 LEU 7 1.337 -5.249 -1.862 67 3HD2 LEU 7 3HD2 LEU 7 0.324 -6.516 -1.173 68 H LYS 8 H LYS 8 3.205 -3.873 3.018 69 HA LYS 8 HA LYS 8 1.865 -6.021 4.249 70 1HB LYS 8 2HB LYS 8 4.331 -5.861 3.958 71 2HB LYS 8 1HB LYS 8 4.366 -4.613 5.195 72 1HG LYS 8 2HG LYS 8 3.386 -6.270 6.783 73 2HG LYS 8 1HG LYS 8 3.596 -7.500 5.535 74 1HD LYS 8 2HD LYS 8 6.067 -6.466 5.547 75 2HD LYS 8 1HD LYS 8 5.610 -6.135 7.220 76 1HE LYS 8 2HE LYS 8 5.442 -8.832 5.879 77 2HE LYS 8 1HE LYS 8 6.755 -8.311 6.935 78 1HZ LYS 8 1HZ LYS 8 3.901 -8.623 7.693 79 2HZ LYS 8 2HZ LYS 8 5.104 -8.014 8.713 80 3HZ LYS 8 3HZ LYS 8 5.185 -9.614 8.175 81 H ASP 9 H ASP 9 2.385 -2.686 5.192 82 HA ASP 9 HA ASP 9 1.434 -3.044 7.877 83 1HB ASP 9 2HB ASP 9 1.931 -0.560 6.227 84 2HB ASP 9 1HB ASP 9 1.454 -0.537 7.922 85 H TYR 10 H TYR 10 0.108 -1.612 4.910 86 HA TYR 10 HA TYR 10 -2.372 -0.859 5.984 87 1HB TYR 10 2HB TYR 10 -1.366 -0.146 3.764 88 2HB TYR 10 1HB TYR 10 -1.907 -1.694 3.121 89 HD1 TYR 10 1HD TYR 10 -4.409 -2.222 3.263 90 HD2 TYR 10 2HD TYR 10 -2.821 1.684 3.835 91 HE1 TYR 10 1HE TYR 10 -6.626 -1.261 2.804 92 HE2 TYR 10 2HE TYR 10 -5.033 2.656 3.378 93 HH TYR 10 HH TYR 10 -7.655 0.772 2.147 94 H ALA 11 H ALA 11 -1.131 -3.956 5.209 95 HA ALA 11 HA ALA 11 -3.765 -5.143 4.899 96 1HB ALA 11 1HB ALA 11 -0.983 -6.033 4.464 97 2HB ALA 11 2HB ALA 11 -2.429 -6.303 3.491 98 3HB ALA 11 3HB ALA 11 -2.144 -7.273 4.934 99 H MET 12 H MET 12 -1.027 -5.356 7.160 100 HA MET 12 HA MET 12 -2.528 -7.012 8.963 101 1HB MET 12 2HB MET 12 0.228 -6.334 8.566 102 2HB MET 12 1HB MET 12 -0.202 -6.063 10.249 103 1HG MET 12 2HG MET 12 -1.200 -8.402 10.202 104 2HG MET 12 1HG MET 12 -0.346 -8.609 8.674 105 1HE MET 12 1HE MET 12 2.325 -6.606 9.689 106 2HE MET 12 2HE MET 12 2.219 -7.888 8.482 107 3HE MET 12 3HE MET 12 3.373 -8.019 9.809 108 H ARG 13 H ARG 13 -1.868 -3.653 8.585 109 HA ARG 13 HA ARG 13 -2.669 -3.014 11.307 110 1HB ARG 13 2HB ARG 13 -0.844 -1.825 9.839 111 2HB ARG 13 1HB ARG 13 -2.227 -0.937 9.197 112 1HG ARG 13 2HG ARG 13 -1.678 -1.134 12.143 113 2HG ARG 13 1HG ARG 13 -0.959 0.120 11.124 114 1HD ARG 13 2HD ARG 13 -3.636 0.180 10.444 115 2HD ARG 13 1HD ARG 13 -3.661 -0.110 12.183 116 HE ARG 13 HE ARG 13 -1.854 1.947 11.724 117 1HH1 ARG 13 1HH1 ARG 13 -5.273 1.369 11.330 118 2HH1 ARG 13 2HH1 ARG 13 -5.705 3.033 11.541 119 1HH2 ARG 13 1HH2 ARG 13 -2.422 4.135 12.003 120 2HH2 ARG 13 2HH2 ARG 13 -4.087 4.603 11.925 121 H PHE 14 H PHE 14 -3.751 -2.013 8.046 122 HA PHE 14 HA PHE 14 -6.250 -1.067 9.079 123 1HB PHE 14 2HB PHE 14 -4.988 -1.242 6.369 124 2HB PHE 14 1HB PHE 14 -6.692 -0.868 6.526 125 HD1 PHE 14 1HD PHE 14 -3.694 0.169 8.456 126 HD2 PHE 14 2HD PHE 14 -7.018 1.385 6.129 127 HE1 PHE 14 1HE PHE 14 -3.115 2.506 8.866 128 HE2 PHE 14 2HE PHE 14 -6.451 3.727 6.531 129 HZ PHE 14 HZ PHE 14 -4.503 4.267 7.898 130 H GLY 15 H GLY 15 -5.130 -3.854 7.216 131 1HA GLY 15 2HA GLY 15 -6.516 -5.898 7.938 132 2HA GLY 15 1HA GLY 15 -7.857 -4.962 7.293 133 H GLN 16 H GLN 16 -7.270 -7.485 6.323 134 HA GLN 16 HA GLN 16 -5.772 -7.135 3.853 135 1HB GLN 16 2HB GLN 16 -6.782 -9.424 5.423 136 2HB GLN 16 1HB GLN 16 -6.788 -9.646 3.679 137 1HG GLN 16 2HG GLN 16 -4.393 -9.035 3.637 138 2HG GLN 16 1HG GLN 16 -4.418 -8.953 5.397 139 1HE2 GLN 16 1HE2 GLN 16 -5.406 -11.171 2.805 140 2HE2 GLN 16 2HE2 GLN 16 -4.813 -12.609 3.580 141 H THR 17 H THR 17 -9.076 -7.415 4.956 142 HA THR 17 HA THR 17 -10.180 -7.803 2.334 143 HB THR 17 HB THR 17 -11.500 -7.019 4.941 144 HG1 THR 17 1HG THR 17 -10.810 -9.046 5.211 145 1HG2 THR 17 1HG2 THR 17 -12.790 -8.100 2.451 146 2HG2 THR 17 2HG2 THR 17 -12.880 -6.425 2.996 147 3HG2 THR 17 3HG2 THR 17 -13.580 -7.709 3.978 148 H LYS 18 H LYS 18 -9.917 -5.078 4.589 149 HA LYS 18 HA LYS 18 -11.350 -3.180 3.168 150 1HB LYS 18 2HB LYS 18 -10.080 -3.127 5.507 151 2HB LYS 18 1HB LYS 18 -8.854 -2.321 4.546 152 1HG LYS 18 2HG LYS 18 -11.520 -1.259 4.075 153 2HG LYS 18 1HG LYS 18 -11.010 -1.125 5.759 154 1HD LYS 18 2HD LYS 18 -8.791 -0.227 4.732 155 2HD LYS 18 1HD LYS 18 -9.788 0.071 3.307 156 1HE LYS 18 2HE LYS 18 -10.170 1.178 6.081 157 2HE LYS 18 1HE LYS 18 -9.748 2.070 4.621 158 1HZ LYS 18 1HZ LYS 18 -11.950 2.472 4.657 159 2HZ LYS 18 2HZ LYS 18 -12.330 1.049 5.487 160 3HZ LYS 18 3HZ LYS 18 -12.010 0.998 3.828 161 H THR 19 H THR 19 -7.913 -4.021 2.899 162 HA THR 19 HA THR 19 -7.215 -2.072 1.011 163 HB THR 19 HB THR 19 -5.865 -4.701 0.820 164 HG1 THR 19 1HG THR 19 -6.099 -3.249 3.222 165 1HG2 THR 19 1HG2 THR 19 -3.935 -3.033 1.503 166 2HG2 THR 19 2HG2 THR 19 -5.092 -1.847 0.897 167 3HG2 THR 19 3HG2 THR 19 -4.534 -3.149 -0.152 168 H ALA 20 H ALA 20 -8.082 -5.492 0.506 169 HA ALA 20 HA ALA 20 -7.961 -5.496 -2.276 170 1HB ALA 20 1HB ALA 20 -8.169 -7.627 -1.570 171 2HB ALA 20 2HB ALA 20 -9.886 -7.326 -1.837 172 3HB ALA 20 3HB ALA 20 -9.208 -7.190 -0.214 173 H LYS 21 H LYS 21 -10.570 -4.523 -0.121 174 HA LYS 21 HA LYS 21 -12.480 -4.198 -2.243 175 1HB LYS 21 2HB LYS 21 -12.550 -4.272 0.582 176 2HB LYS 21 1HB LYS 21 -13.180 -2.702 0.108 177 1HG LYS 21 2HG LYS 21 -14.180 -5.394 -0.793 178 2HG LYS 21 1HG LYS 21 -14.980 -4.273 0.305 179 1HD LYS 21 2HD LYS 21 -15.850 -3.105 -1.385 180 2HD LYS 21 1HD LYS 21 -14.290 -3.004 -2.207 181 1HE LYS 21 2HE LYS 21 -16.040 -5.457 -2.261 182 2HE LYS 21 1HE LYS 21 -16.130 -4.180 -3.476 183 1HZ LYS 21 1HZ LYS 21 -14.700 -6.069 -4.120 184 2HZ LYS 21 2HZ LYS 21 -13.670 -5.705 -2.834 185 3HZ LYS 21 3HZ LYS 21 -13.870 -4.594 -4.092 186 H ASP 22 H ASP 22 -10.140 -2.180 -0.625 187 HA ASP 22 HA ASP 22 -11.220 0.273 -1.712 188 1HB ASP 22 2HB ASP 22 -9.136 -0.481 0.215 189 2HB ASP 22 1HB ASP 22 -8.721 0.912 -0.787 190 H LEU 23 H LEU 23 -8.650 -1.991 -2.442 191 HA LEU 23 HA LEU 23 -7.440 -0.303 -4.434 192 1HB LEU 23 2HB LEU 23 -6.901 -2.902 -3.209 193 2HB LEU 23 1HB LEU 23 -6.523 -2.854 -4.919 194 HG LEU 23 HG LEU 23 -5.468 -0.496 -3.679 195 1HD1 LEU 23 1HD1 LEU 23 -4.761 -3.095 -2.333 196 2HD1 LEU 23 2HD1 LEU 23 -5.427 -1.641 -1.589 197 3HD1 LEU 23 3HD1 LEU 23 -3.785 -1.629 -2.229 198 1HD2 LEU 23 1HD2 LEU 23 -4.813 -2.126 -5.726 199 2HD2 LEU 23 2HD2 LEU 23 -3.654 -2.662 -4.510 200 3HD2 LEU 23 3HD2 LEU 23 -3.702 -0.969 -4.996 201 H GLY 24 H GLY 24 -9.934 -2.712 -4.340 202 1HA GLY 24 2HA GLY 24 -11.550 -2.944 -6.047 203 2HA GLY 24 1HA GLY 24 -10.400 -2.273 -7.197 204 H VAL 25 H VAL 25 -9.421 -4.764 -4.989 205 HA VAL 25 HA VAL 25 -9.634 -6.782 -7.113 206 HB VAL 25 HB VAL 25 -7.372 -7.639 -6.398 207 1HG1 VAL 25 1HG1 VAL 25 -7.496 -4.902 -7.659 208 2HG1 VAL 25 2HG1 VAL 25 -7.668 -6.448 -8.491 209 3HG1 VAL 25 3HG1 VAL 25 -6.126 -6.010 -7.753 210 1HG2 VAL 25 1HG2 VAL 25 -7.594 -5.928 -4.324 211 2HG2 VAL 25 2HG2 VAL 25 -6.614 -4.962 -5.428 212 3HG2 VAL 25 3HG2 VAL 25 -6.057 -6.557 -4.918 213 H GLN 26 H GLN 26 -8.780 -8.989 -6.039 214 HA GLN 26 HA GLN 26 -10.510 -9.372 -3.721 215 1HB GLN 26 2HB GLN 26 -9.082 -11.526 -5.271 216 2HB GLN 26 1HB GLN 26 -10.500 -11.688 -4.244 217 1HG GLN 26 2HG GLN 26 -11.750 -10.281 -5.879 218 2HG GLN 26 1HG GLN 26 -10.330 -10.355 -6.934 219 1HE2 GLN 26 1HE2 GLN 26 -13.230 -11.792 -6.124 220 2HE2 GLN 26 2HE2 GLN 26 -13.010 -13.304 -6.930 221 H GLN 27 H GLN 27 -9.657 -11.169 -2.178 222 HA GLN 27 HA GLN 27 -7.336 -10.119 -0.910 223 1HB GLN 27 2HB GLN 27 -8.965 -12.602 -0.359 224 2HB GLN 27 1HB GLN 27 -7.654 -12.040 0.669 225 1HG GLN 27 2HG GLN 27 -8.839 -10.215 1.418 226 2HG GLN 27 1HG GLN 27 -9.905 -10.199 0.015 227 1HE2 GLN 27 1HE2 GLN 27 -11.370 -12.099 -0.178 228 2HE2 GLN 27 2HE2 GLN 27 -12.070 -12.715 1.276 229 H SER 28 H SER 28 -7.841 -12.531 -3.284 230 HA SER 28 HA SER 28 -5.675 -14.242 -2.784 231 1HB SER 28 2HB SER 28 -5.857 -14.441 -5.443 232 2HB SER 28 1HB SER 28 -7.054 -15.159 -4.367 233 HG SER 28 HG SER 28 -7.231 -12.659 -5.697 234 H ALA 29 H ALA 29 -5.910 -11.387 -4.896 235 HA ALA 29 HA ALA 29 -3.261 -11.430 -5.813 236 1HB ALA 29 1HB ALA 29 -4.653 -8.825 -5.449 237 2HB ALA 29 2HB ALA 29 -5.357 -10.014 -6.543 238 3HB ALA 29 3HB ALA 29 -3.717 -9.424 -6.817 239 H ILE 30 H ILE 30 -4.724 -9.800 -3.026 240 HA ILE 30 HA ILE 30 -2.483 -8.352 -2.194 241 HB ILE 30 HB ILE 30 -4.556 -9.562 -0.365 242 1HG1 ILE 30 2HG1 ILE 30 -5.722 -8.384 -2.126 243 2HG1 ILE 30 1HG1 ILE 30 -5.767 -7.400 -0.667 244 1HG2 ILE 30 1HG2 ILE 30 -3.127 -6.953 -0.003 245 2HG2 ILE 30 2HG2 ILE 30 -2.424 -8.473 0.550 246 3HG2 ILE 30 3HG2 ILE 30 -3.973 -7.930 1.196 247 1HD1 ILE 30 1HD1 ILE 30 -3.492 -6.543 -1.982 248 2HD1 ILE 30 2HD1 ILE 30 -5.056 -5.725 -1.929 249 3HD1 ILE 30 3HD1 ILE 30 -4.669 -6.805 -3.269 250 H ASN 31 H ASN 31 -3.563 -11.608 -1.282 251 HA ASN 31 HA ASN 31 -1.475 -12.140 0.527 252 1HB ASN 31 2HB ASN 31 -3.731 -13.410 0.051 253 2HB ASN 31 1HB ASN 31 -2.735 -14.335 -1.070 254 1HD2 ASN 31 1HD2 ASN 31 -3.596 -15.961 0.586 255 2HD2 ASN 31 2HD2 ASN 31 -2.542 -16.297 1.923 256 H LYS 32 H LYS 32 -1.751 -12.501 -2.951 257 HA LYS 32 HA LYS 32 0.634 -14.020 -3.259 258 1HB LYS 32 2HB LYS 32 -0.819 -12.372 -5.328 259 2HB LYS 32 1HB LYS 32 0.352 -13.647 -5.642 260 1HG LYS 32 2HG LYS 32 -1.886 -14.525 -3.995 261 2HG LYS 32 1HG LYS 32 -2.370 -13.943 -5.588 262 1HD LYS 32 2HD LYS 32 -1.427 -15.692 -6.647 263 2HD LYS 32 1HD LYS 32 -0.017 -15.698 -5.589 264 1HE LYS 32 2HE LYS 32 -0.934 -17.643 -4.884 265 2HE LYS 32 1HE LYS 32 -1.861 -16.557 -3.852 266 1HZ LYS 32 1HZ LYS 32 -3.747 -16.954 -4.982 267 2HZ LYS 32 2HZ LYS 32 -2.964 -18.378 -5.446 268 3HZ LYS 32 3HZ LYS 32 -2.976 -17.045 -6.486 269 H TRP 33 H TRP 33 -0.119 -10.643 -3.087 270 HA TRP 33 HA TRP 33 2.215 -9.635 -4.304 271 1HB TRP 33 2HB TRP 33 0.172 -8.548 -2.415 272 2HB TRP 33 1HB TRP 33 1.530 -7.567 -2.941 273 HD1 TRP 33 HD TRP 33 1.003 -9.345 -5.860 274 HE1 TRP 33 1HE TRP 33 -0.660 -8.227 -7.489 275 HE3 TRP 33 3HE TRP 33 -1.243 -6.207 -2.592 276 HZ2 TRP 33 2HZ TRP 33 -2.680 -6.255 -7.365 277 HZ3 TRP 33 3HZ TRP 33 -3.045 -4.721 -3.395 278 HH2 TRP 33 HH TRP 33 -3.749 -4.751 -5.737 279 H ILE 34 H ILE 34 1.345 -10.260 -0.914 280 HA ILE 34 HA ILE 34 3.919 -9.420 0.063 281 HB ILE 34 HB ILE 34 1.826 -10.988 1.565 282 1HG1 ILE 34 2HG1 ILE 34 2.115 -7.984 1.337 283 2HG1 ILE 34 1HG1 ILE 34 0.856 -8.941 0.563 284 1HG2 ILE 34 1HG2 ILE 34 2.853 -9.816 3.518 285 2HG2 ILE 34 2HG2 ILE 34 4.112 -9.232 2.430 286 3HG2 ILE 34 3HG2 ILE 34 3.921 -10.962 2.708 287 1HD1 ILE 34 1HD1 ILE 34 0.611 -7.704 2.955 288 2HD1 ILE 34 2HD1 ILE 34 1.078 -9.330 3.456 289 3HD1 ILE 34 3HD1 ILE 34 -0.346 -9.094 2.441 290 H HIS 35 H HIS 35 2.403 -12.409 -0.881 291 HA HIS 35 HA HIS 35 4.140 -14.215 0.384 292 1HB HIS 35 2HB HIS 35 2.110 -14.311 -1.730 293 2HB HIS 35 1HB HIS 35 3.379 -15.517 -1.905 294 HD1 HIS 35 1HD HIS 35 2.797 -14.816 1.607 295 HD2 HIS 35 2HD HIS 35 1.089 -17.260 -1.287 296 HE1 HIS 35 1HE HIS 35 1.470 -16.534 2.875 297 HE2 HIS 35 2HE HIS 35 0.527 -18.060 1.106 298 H ALA 36 H ALA 36 4.095 -13.166 -2.979 299 HA ALA 36 HA ALA 36 6.552 -14.328 -3.692 300 1HB ALA 36 1HB ALA 36 5.479 -11.895 -5.063 301 2HB ALA 36 2HB ALA 36 4.647 -13.445 -5.190 302 3HB ALA 36 3HB ALA 36 6.311 -13.288 -5.753 303 H GLY 37 H GLY 37 5.853 -11.510 -1.889 304 1HA GLY 37 2HA GLY 37 7.354 -10.166 -0.735 305 2HA GLY 37 1HA GLY 37 8.672 -10.958 -1.585 306 H ARG 38 H ARG 38 5.894 -9.368 -3.066 307 HA ARG 38 HA ARG 38 7.705 -7.685 -4.591 308 1HB ARG 38 2HB ARG 38 5.536 -8.966 -5.401 309 2HB ARG 38 1HB ARG 38 4.734 -7.502 -4.848 310 1HG ARG 38 2HG ARG 38 7.026 -6.850 -6.461 311 2HG ARG 38 1HG ARG 38 5.945 -7.948 -7.320 312 1HD ARG 38 2HD ARG 38 4.088 -6.323 -6.462 313 2HD ARG 38 1HD ARG 38 5.429 -5.192 -6.288 314 HE ARG 38 HE ARG 38 5.531 -5.006 -8.570 315 1HH1 ARG 38 1HH1 ARG 38 3.559 -7.763 -7.739 316 2HH1 ARG 38 2HH1 ARG 38 3.012 -8.019 -9.362 317 1HH2 ARG 38 1HH2 ARG 38 4.811 -5.339 -10.705 318 2HH2 ARG 38 2HH2 ARG 38 3.722 -6.643 -11.046 319 H LYS 39 H LYS 39 8.369 -5.856 -3.673 320 HA LYS 39 HA LYS 39 7.085 -4.551 -1.541 321 1HB LYS 39 2HB LYS 39 9.459 -4.175 -3.143 322 2HB LYS 39 1HB LYS 39 8.663 -2.633 -2.859 323 1HG LYS 39 2HG LYS 39 8.601 -3.792 -0.378 324 2HG LYS 39 1HG LYS 39 10.146 -4.347 -1.026 325 1HD LYS 39 2HD LYS 39 11.055 -2.285 -0.961 326 2HD LYS 39 1HD LYS 39 9.562 -1.503 -1.485 327 1HE LYS 39 2HE LYS 39 8.679 -1.500 0.705 328 2HE LYS 39 1HE LYS 39 9.903 -2.630 1.281 329 1HZ LYS 39 1HZ LYS 39 11.514 -0.997 1.317 330 2HZ LYS 39 2HZ LYS 39 10.146 -0.145 1.828 331 3HZ LYS 39 3HZ LYS 39 10.691 0.009 0.234 332 H ILE 40 H ILE 40 5.425 -3.182 -1.481 333 HA ILE 40 HA ILE 40 4.783 -1.553 -3.812 334 HB ILE 40 HB ILE 40 2.729 -3.354 -2.524 335 1HG1 ILE 40 2HG1 ILE 40 4.036 -3.467 -5.249 336 2HG1 ILE 40 1HG1 ILE 40 4.223 -4.639 -3.948 337 1HG2 ILE 40 1HG2 ILE 40 1.303 -2.534 -4.427 338 2HG2 ILE 40 2HG2 ILE 40 2.538 -1.310 -4.724 339 3HG2 ILE 40 3HG2 ILE 40 1.673 -1.334 -3.188 340 1HD1 ILE 40 1HD1 ILE 40 2.680 -5.732 -5.181 341 2HD1 ILE 40 2HD1 ILE 40 2.001 -4.248 -5.851 342 3HD1 ILE 40 3HD1 ILE 40 1.582 -4.749 -4.213 343 H PHE 41 H PHE 41 3.245 0.150 -3.347 344 HA PHE 41 HA PHE 41 2.800 0.699 -0.506 345 1HB PHE 41 2HB PHE 41 4.211 2.531 -2.447 346 2HB PHE 41 1HB PHE 41 3.482 3.114 -0.954 347 HD1 PHE 41 1HD PHE 41 5.876 0.521 -2.160 348 HD2 PHE 41 2HD PHE 41 4.783 3.225 0.939 349 HE1 PHE 41 1HE PHE 41 7.935 -0.052 -0.940 350 HE2 PHE 41 2HE PHE 41 6.841 2.659 2.164 351 HZ PHE 41 HZ PHE 41 8.420 1.018 1.225 352 H LEU 42 H LEU 42 0.792 1.430 -0.124 353 HA LEU 42 HA LEU 42 -0.875 2.068 -2.427 354 1HB LEU 42 2HB LEU 42 -2.694 2.023 -0.599 355 2HB LEU 42 1HB LEU 42 -1.982 0.516 -1.137 356 HG LEU 42 HG LEU 42 -2.352 0.809 1.351 357 1HD1 LEU 42 1HD1 LEU 42 -0.140 -0.338 -0.082 358 2HD1 LEU 42 2HD1 LEU 42 -1.048 -0.974 1.290 359 3HD1 LEU 42 3HD1 LEU 42 0.320 0.106 1.562 360 1HD2 LEU 42 1HD2 LEU 42 -1.390 3.173 1.300 361 2HD2 LEU 42 2HD2 LEU 42 0.189 2.389 1.308 362 3HD2 LEU 42 3HD2 LEU 42 -0.931 2.126 2.641 363 H THR 43 H THR 43 -2.287 3.890 -2.434 364 HA THR 43 HA THR 43 -1.341 6.122 -0.761 365 HB THR 43 HB THR 43 -2.415 6.463 -3.552 366 HG1 THR 43 1HG THR 43 -0.568 5.147 -3.681 367 1HG2 THR 43 1HG2 THR 43 -0.421 8.336 -2.931 368 2HG2 THR 43 2HG2 THR 43 -1.497 8.257 -1.537 369 3HG2 THR 43 3HG2 THR 43 -2.151 8.612 -3.135 370 H ILE 44 H ILE 44 -2.887 6.563 0.667 371 HA ILE 44 HA ILE 44 -5.671 6.056 0.068 372 HB ILE 44 HB ILE 44 -4.530 7.371 2.533 373 1HG1 ILE 44 2HG1 ILE 44 -5.092 4.439 2.036 374 2HG1 ILE 44 1HG1 ILE 44 -3.491 5.165 2.149 375 1HG2 ILE 44 1HG2 ILE 44 -7.079 7.350 1.832 376 2HG2 ILE 44 2HG2 ILE 44 -6.580 7.124 3.508 377 3HG2 ILE 44 3HG2 ILE 44 -7.006 5.727 2.518 378 1HD1 ILE 44 1HD1 ILE 44 -4.427 5.964 4.488 379 2HD1 ILE 44 2HD1 ILE 44 -3.699 4.374 4.262 380 3HD1 ILE 44 3HD1 ILE 44 -5.453 4.547 4.276 381 H ASN 45 H ASN 45 -6.656 7.476 -1.230 382 HA ASN 45 HA ASN 45 -5.950 10.270 -1.244 383 1HB ASN 45 2HB ASN 45 -8.296 8.963 -2.627 384 2HB ASN 45 1HB ASN 45 -7.527 10.493 -3.038 385 1HD2 ASN 45 1HD2 ASN 45 -7.972 7.831 -4.439 386 2HD2 ASN 45 2HD2 ASN 45 -6.411 7.448 -5.097 387 H ALA 46 H ALA 46 -7.950 11.842 -1.315 388 HA ALA 46 HA ALA 46 -9.203 11.615 1.296 389 1HB ALA 46 1HB ALA 46 -9.034 13.845 -0.713 390 2HB ALA 46 2HB ALA 46 -8.245 13.731 0.860 391 3HB ALA 46 3HB ALA 46 -9.993 13.954 0.763 392 H ASP 47 H ASP 47 -10.000 10.309 -1.508 393 HA ASP 47 HA ASP 47 -12.850 10.965 -1.336 394 1HB ASP 47 2HB ASP 47 -12.600 9.496 -3.627 395 2HB ASP 47 1HB ASP 47 -12.570 11.255 -3.557 396 H GLY 48 H GLY 48 -10.550 8.541 -0.707 397 1HA GLY 48 2HA GLY 48 -11.180 6.654 0.646 398 2HA GLY 48 1HA GLY 48 -12.720 6.625 -0.197 399 H SER 49 H SER 49 -9.990 7.170 -2.176 400 HA SER 49 HA SER 49 -10.180 4.415 -3.171 401 1HB SER 49 2HB SER 49 -10.180 6.933 -4.488 402 2HB SER 49 1HB SER 49 -8.745 6.057 -4.984 403 HG SER 49 HG SER 49 -10.070 4.323 -5.587 404 H VAL 50 H VAL 50 -8.574 3.101 -2.724 405 HA VAL 50 HA VAL 50 -5.936 4.244 -2.084 406 HB VAL 50 HB VAL 50 -6.760 1.456 -1.345 407 1HG1 VAL 50 1HG1 VAL 50 -5.207 2.433 0.651 408 2HG1 VAL 50 2HG1 VAL 50 -4.571 3.315 -0.736 409 3HG1 VAL 50 3HG1 VAL 50 -4.597 1.550 -0.748 410 1HG2 VAL 50 1HG2 VAL 50 -7.255 3.905 0.347 411 2HG2 VAL 50 2HG2 VAL 50 -7.590 2.230 0.787 412 3HG2 VAL 50 3HG2 VAL 50 -8.505 3.002 -0.507 413 H TYR 51 H TYR 51 -4.550 4.088 -3.723 414 HA TYR 51 HA TYR 51 -4.656 1.673 -5.411 415 1HB TYR 51 2HB TYR 51 -3.738 2.992 -7.233 416 2HB TYR 51 1HB TYR 51 -5.199 3.760 -6.622 417 HD1 TYR 51 1HD TYR 51 -1.486 3.889 -6.263 418 HD2 TYR 51 2HD TYR 51 -5.164 6.022 -6.112 419 HE1 TYR 51 1HE TYR 51 -0.248 5.992 -5.970 420 HE2 TYR 51 2HE TYR 51 -3.936 8.132 -5.820 421 HH TYR 51 HH TYR 51 -1.785 8.924 -5.079 422 H ALA 52 H ALA 52 -2.778 0.576 -5.864 423 HA ALA 52 HA ALA 52 -0.518 1.214 -4.115 424 1HB ALA 52 1HB ALA 52 0.022 -1.246 -5.211 425 2HB ALA 52 2HB ALA 52 -1.737 -1.246 -5.083 426 3HB ALA 52 3HB ALA 52 -0.749 -0.957 -3.650 427 H GLU 53 H GLU 53 1.255 2.102 -4.913 428 HA GLU 53 HA GLU 53 1.682 2.065 -7.812 429 1HB GLU 53 2HB GLU 53 2.285 3.950 -5.639 430 2HB GLU 53 1HB GLU 53 3.592 3.751 -6.799 431 1HG GLU 53 2HG GLU 53 1.157 4.019 -8.234 432 2HG GLU 53 1HG GLU 53 1.244 5.305 -7.031 433 H GLU 54 H GLU 54 4.075 2.061 -8.457 434 HA GLU 54 HA GLU 54 5.388 -0.145 -7.026 435 1HB GLU 54 2HB GLU 54 4.671 -0.058 -9.638 436 2HB GLU 54 1HB GLU 54 6.313 0.560 -9.741 437 1HG GLU 54 2HG GLU 54 6.614 -1.611 -8.109 438 2HG GLU 54 1HG GLU 54 5.350 -2.141 -9.218 439 H VAL 55 H VAL 55 7.624 -0.086 -6.665 440 HA VAL 55 HA VAL 55 8.874 2.570 -6.924 441 HB VAL 55 HB VAL 55 9.329 0.701 -4.599 442 1HG1 VAL 55 1HG1 VAL 55 10.158 3.522 -5.220 443 2HG1 VAL 55 2HG1 VAL 55 11.180 2.132 -4.853 444 3HG1 VAL 55 3HG1 VAL 55 10.196 2.862 -3.585 445 1HG2 VAL 55 1HG2 VAL 55 7.465 3.058 -4.824 446 2HG2 VAL 55 2HG2 VAL 55 7.964 2.339 -3.293 447 3HG2 VAL 55 3HG2 VAL 55 7.042 1.386 -4.455 448 H LYS 56 H LYS 56 11.249 2.527 -6.891 449 HA LYS 56 HA LYS 56 12.241 0.403 -8.563 450 1HB LYS 56 2HB LYS 56 13.358 2.985 -7.529 451 2HB LYS 56 1HB LYS 56 14.429 1.793 -8.252 452 1HG LYS 56 2HG LYS 56 13.915 3.168 -10.033 453 2HG LYS 56 1HG LYS 56 12.770 1.839 -10.230 454 1HD LYS 56 2HD LYS 56 11.154 3.290 -8.865 455 2HD LYS 56 1HD LYS 56 12.270 4.614 -9.198 456 1HE LYS 56 2HE LYS 56 11.028 2.884 -11.330 457 2HE LYS 56 1HE LYS 56 10.349 4.421 -10.798 458 1HZ LYS 56 1HZ LYS 56 13.154 4.345 -11.649 459 2HZ LYS 56 2HZ LYS 56 12.031 5.603 -11.758 460 3HZ LYS 56 3HZ LYS 56 11.949 4.305 -12.837 461 HA PRO 57 HA PRO 57 14.281 -2.371 -5.833 462 1HB PRO 57 2HB PRO 57 16.861 -1.487 -7.058 463 2HB PRO 57 1HB PRO 57 16.244 -3.123 -6.793 464 1HG PRO 57 2HG PRO 57 16.177 -2.020 -9.216 465 2HG PRO 57 1HG PRO 57 14.843 -3.036 -8.639 466 1HD PRO 57 2HD PRO 57 14.976 -0.081 -8.956 467 2HD PRO 57 1HD PRO 57 13.586 -1.176 -9.108 468 H ASP 58 H ASP 58 14.974 -2.246 -3.773 469 HA ASP 58 HA ASP 58 15.490 0.222 -2.554 470 1HB ASP 58 2HB ASP 58 16.158 -1.263 -0.597 471 2HB ASP 58 1HB ASP 58 14.525 -1.476 -1.220 472 HA PRO 59 HA PRO 59 19.850 0.730 -2.995 473 1HB PRO 59 2HB PRO 59 20.511 1.979 -0.692 474 2HB PRO 59 1HB PRO 59 19.566 2.770 -1.960 475 1HG PRO 59 2HG PRO 59 18.629 1.482 0.576 476 2HG PRO 59 1HG PRO 59 18.119 3.015 -0.153 477 1HD PRO 59 2HD PRO 59 16.684 0.720 -0.391 478 2HD PRO 59 1HD PRO 59 16.699 1.981 -1.639 479 H SER 60 H SER 60 19.612 -1.838 -2.572 480 HA SER 60 HA SER 60 21.809 -2.462 -0.801 481 1HB SER 60 2HB SER 60 19.257 -4.007 -0.380 482 2HB SER 60 1HB SER 60 20.700 -3.969 0.634 483 HG SER 60 HG SER 60 20.173 -1.753 1.084 484 H ASN 61 H ASN 61 19.151 -4.265 -2.357 485 HA ASN 61 HA ASN 61 21.165 -5.625 -4.015 486 1HB ASN 61 2HB ASN 61 19.850 -6.859 -1.961 487 2HB ASN 61 1HB ASN 61 18.794 -7.226 -3.322 488 1HD2 ASN 61 1HD2 ASN 61 21.123 -8.504 -1.570 489 2HD2 ASN 61 2HD2 ASN 61 21.952 -9.463 -2.758 490 H LYS 62 H LYS 62 20.676 -5.862 -6.131 491 HA LYS 62 HA LYS 62 18.295 -4.512 -7.097 492 1HB LYS 62 2HB LYS 62 20.881 -5.381 -8.256 493 2HB LYS 62 1HB LYS 62 19.508 -5.347 -9.352 494 1HG LYS 62 2HG LYS 62 19.429 -3.106 -9.396 495 2HG LYS 62 1HG LYS 62 19.814 -2.954 -7.681 496 1HD LYS 62 2HD LYS 62 22.149 -3.299 -8.114 497 2HD LYS 62 1HD LYS 62 21.826 -3.678 -9.806 498 1HE LYS 62 2HE LYS 62 21.066 -1.412 -10.200 499 2HE LYS 62 1HE LYS 62 21.264 -1.022 -8.492 500 1HZ LYS 62 1HZ LYS 62 23.395 -1.651 -10.455 501 2HZ LYS 62 2HZ LYS 62 23.670 -1.558 -8.789 502 3HZ LYS 62 3HZ LYS 62 23.146 -0.191 -9.637 503 H LYS 63 H LYS 63 19.820 -7.702 -7.543 504 HA LYS 63 HA LYS 63 17.143 -8.839 -7.924 505 1HB LYS 63 2HB LYS 63 18.078 -10.309 -9.724 506 2HB LYS 63 1HB LYS 63 17.973 -8.608 -10.157 507 1HG LYS 63 2HG LYS 63 20.484 -8.692 -9.195 508 2HG LYS 63 1HG LYS 63 20.328 -10.337 -9.815 509 1HD LYS 63 2HD LYS 63 21.009 -9.349 -11.738 510 2HD LYS 63 1HD LYS 63 19.289 -8.985 -11.884 511 1HE LYS 63 2HE LYS 63 20.759 -7.020 -10.307 512 2HE LYS 63 1HE LYS 63 21.336 -7.154 -11.967 513 1HZ LYS 63 1HZ LYS 63 19.379 -6.398 -12.810 514 2HZ LYS 63 2HZ LYS 63 19.361 -5.574 -11.332 515 3HZ LYS 63 3HZ LYS 63 18.448 -6.984 -11.523 516 H THR 64 H THR 64 17.293 -11.324 -7.890 517 HA THR 64 HA THR 64 19.441 -12.312 -6.183 518 HB THR 64 HB THR 64 17.882 -11.617 -4.520 519 HG1 THR 64 1HG THR 64 18.598 -13.613 -3.987 520 1HG2 THR 64 1HG2 THR 64 15.689 -13.187 -5.830 521 2HG2 THR 64 2HG2 THR 64 15.912 -11.457 -6.086 522 3HG2 THR 64 3HG2 THR 64 15.581 -12.072 -4.467 523 H THR 65 H THR 65 20.083 -13.641 -7.870 524 HA THR 65 HA THR 65 18.140 -15.622 -8.827 525 HB THR 65 HB THR 65 20.912 -15.208 -9.929 526 HG1 THR 65 1HG THR 65 18.546 -13.780 -10.539 527 1HG2 THR 65 1HG2 THR 65 19.105 -15.728 -11.970 528 2HG2 THR 65 2HG2 THR 65 18.649 -16.825 -10.666 529 3HG2 THR 65 3HG2 THR 65 20.299 -16.836 -11.292 530 H ALA 66 H ALA 66 18.593 -17.837 -8.765 531 HA ALA 66 HA ALA 66 20.909 -18.669 -7.163 532 1HB ALA 66 1HB ALA 66 18.088 -19.613 -6.659 533 2HB ALA 66 2HB ALA 66 18.987 -18.483 -5.645 534 3HB ALA 66 3HB ALA 66 19.539 -20.150 -5.813 Start of MODEL 8 1 1H MET 1 1HT MET 1 4.747 14.115 0.765 2 2H MET 1 2HT MET 1 4.089 13.441 2.199 3 3H MET 1 3HT MET 1 4.895 14.956 2.252 4 HA MET 1 HA MET 1 2.691 15.496 2.325 5 1HB MET 1 2HB MET 1 3.940 15.678 -0.392 6 2HB MET 1 1HB MET 1 2.305 16.280 -0.153 7 1HG MET 1 2HG MET 1 3.012 18.112 0.891 8 2HG MET 1 1HG MET 1 4.161 17.214 1.880 9 1HE MET 1 1HE MET 1 6.422 16.446 1.146 10 2HE MET 1 2HE MET 1 7.355 17.096 -0.201 11 3HE MET 1 3HE MET 1 6.120 15.872 -0.494 12 H GLU 2 H GLU 2 3.272 13.032 -0.141 13 HA GLU 2 HA GLU 2 0.507 12.573 -0.683 14 1HB GLU 2 2HB GLU 2 2.710 10.589 -1.198 15 2HB GLU 2 1HB GLU 2 1.217 10.822 -2.097 16 1HG GLU 2 2HG GLU 2 2.704 13.248 -2.161 17 2HG GLU 2 1HG GLU 2 3.768 11.915 -2.606 18 H GLN 3 H GLN 3 0.143 9.884 -0.617 19 HA GLN 3 HA GLN 3 0.408 9.174 2.227 20 1HB GLN 3 2HB GLN 3 -1.991 9.608 0.685 21 2HB GLN 3 1HB GLN 3 -1.935 7.948 1.255 22 1HG GLN 3 2HG GLN 3 -1.465 10.268 3.091 23 2HG GLN 3 1HG GLN 3 -3.084 9.669 2.733 24 1HE2 GLN 3 1HE2 GLN 3 -0.959 9.628 5.059 25 2HE2 GLN 3 2HE2 GLN 3 -1.146 8.019 5.683 26 H ARG 4 H ARG 4 2.189 8.367 0.220 27 HA ARG 4 HA ARG 4 1.470 5.723 -0.678 28 1HB ARG 4 2HB ARG 4 3.907 5.659 -1.395 29 2HB ARG 4 1HB ARG 4 2.913 6.906 -2.135 30 1HG ARG 4 2HG ARG 4 3.955 8.609 -0.990 31 2HG ARG 4 1HG ARG 4 4.489 7.546 0.314 32 1HD ARG 4 2HD ARG 4 6.129 6.525 -1.138 33 2HD ARG 4 1HD ARG 4 5.546 7.467 -2.508 34 HE ARG 4 HE ARG 4 7.335 8.341 -0.451 35 1HH1 ARG 4 1HH1 ARG 4 4.937 9.397 -2.757 36 2HH1 ARG 4 2HH1 ARG 4 5.556 11.012 -2.848 37 1HH2 ARG 4 1HH2 ARG 4 8.149 10.463 -0.569 38 2HH2 ARG 4 2HH2 ARG 4 7.379 11.618 -1.607 39 H ILE 5 H ILE 5 1.198 4.279 0.861 40 HA ILE 5 HA ILE 5 3.273 3.999 2.929 41 HB ILE 5 HB ILE 5 0.731 2.495 3.164 42 1HG1 ILE 5 2HG1 ILE 5 0.875 5.466 3.687 43 2HG1 ILE 5 1HG1 ILE 5 -0.024 4.693 2.388 44 1HG2 ILE 5 1HG2 ILE 5 2.869 3.486 4.868 45 2HG2 ILE 5 2HG2 ILE 5 1.747 2.150 5.125 46 3HG2 ILE 5 3HG2 ILE 5 1.267 3.796 5.539 47 1HD1 ILE 5 1HD1 ILE 5 -1.674 5.046 3.933 48 2HD1 ILE 5 2HD1 ILE 5 -0.598 4.764 5.303 49 3HD1 ILE 5 3HD1 ILE 5 -1.174 3.404 4.338 50 H THR 6 H THR 6 2.997 1.492 3.732 51 HA THR 6 HA THR 6 3.958 -0.039 1.449 52 HB THR 6 HB THR 6 4.155 -1.706 3.632 53 HG1 THR 6 1HG THR 6 4.731 0.915 4.534 54 1HG2 THR 6 1HG2 THR 6 5.994 0.066 2.194 55 2HG2 THR 6 2HG2 THR 6 6.138 -1.643 2.603 56 3HG2 THR 6 3HG2 THR 6 6.512 -0.413 3.810 57 H LEU 7 H LEU 7 3.208 -2.183 0.994 58 HA LEU 7 HA LEU 7 0.359 -2.398 1.091 59 1HB LEU 7 2HB LEU 7 1.545 -3.191 -0.851 60 2HB LEU 7 1HB LEU 7 2.498 -4.293 0.124 61 HG LEU 7 HG LEU 7 0.429 -5.563 0.650 62 1HD1 LEU 7 1HD1 LEU 7 -0.956 -3.398 -0.021 63 2HD1 LEU 7 2HD1 LEU 7 -1.632 -5.022 -0.135 64 3HD1 LEU 7 3HD1 LEU 7 -0.999 -4.227 -1.576 65 1HD2 LEU 7 1HD2 LEU 7 0.256 -6.653 -1.501 66 2HD2 LEU 7 2HD2 LEU 7 1.937 -6.218 -1.187 67 3HD2 LEU 7 3HD2 LEU 7 0.968 -5.251 -2.300 68 H LYS 8 H LYS 8 3.045 -3.963 2.744 69 HA LYS 8 HA LYS 8 1.543 -5.966 4.043 70 1HB LYS 8 2HB LYS 8 4.153 -5.587 3.764 71 2HB LYS 8 1HB LYS 8 3.974 -4.824 5.337 72 1HG LYS 8 2HG LYS 8 2.643 -7.105 5.795 73 2HG LYS 8 1HG LYS 8 3.787 -7.663 4.573 74 1HD LYS 8 2HD LYS 8 5.588 -6.538 5.980 75 2HD LYS 8 1HD LYS 8 4.368 -6.423 7.250 76 1HE LYS 8 2HE LYS 8 5.090 -8.451 7.864 77 2HE LYS 8 1HE LYS 8 4.151 -9.036 6.492 78 1HZ LYS 8 1HZ LYS 8 6.429 -8.399 5.286 79 2HZ LYS 8 2HZ LYS 8 6.120 -9.935 5.923 80 3HZ LYS 8 3HZ LYS 8 7.030 -8.819 6.811 81 H ASP 9 H ASP 9 2.545 -2.715 5.033 82 HA ASP 9 HA ASP 9 1.560 -2.797 7.654 83 1HB ASP 9 2HB ASP 9 1.885 -0.452 5.771 84 2HB ASP 9 1HB ASP 9 1.540 -0.303 7.492 85 H TYR 10 H TYR 10 0.021 -1.678 4.654 86 HA TYR 10 HA TYR 10 -2.396 -0.832 5.777 87 1HB TYR 10 2HB TYR 10 -1.572 -0.420 3.417 88 2HB TYR 10 1HB TYR 10 -2.094 -2.056 3.031 89 HD1 TYR 10 1HD TYR 10 -4.603 -2.585 3.696 90 HD2 TYR 10 2HD TYR 10 -3.046 1.318 3.041 91 HE1 TYR 10 1HE TYR 10 -6.877 -1.760 3.251 92 HE2 TYR 10 2HE TYR 10 -5.315 2.156 2.596 93 HH TYR 10 HH TYR 10 -7.635 1.547 3.103 94 H ALA 11 H ALA 11 -1.254 -4.017 4.900 95 HA ALA 11 HA ALA 11 -3.801 -5.303 5.048 96 1HB ALA 11 1HB ALA 11 -2.431 -6.623 3.822 97 2HB ALA 11 2HB ALA 11 -2.104 -7.345 5.397 98 3HB ALA 11 3HB ALA 11 -0.989 -6.156 4.725 99 H MET 12 H MET 12 -1.048 -5.014 7.274 100 HA MET 12 HA MET 12 -2.354 -6.487 9.342 101 1HB MET 12 2HB MET 12 0.263 -5.311 8.883 102 2HB MET 12 1HB MET 12 -0.290 -5.064 10.531 103 1HG MET 12 2HG MET 12 0.461 -7.095 10.980 104 2HG MET 12 1HG MET 12 -0.875 -7.720 10.016 105 1HE MET 12 1HE MET 12 -0.037 -9.755 9.399 106 2HE MET 12 2HE MET 12 1.201 -10.088 8.187 107 3HE MET 12 3HE MET 12 -0.300 -9.288 7.718 108 H ARG 13 H ARG 13 -2.171 -3.182 8.388 109 HA ARG 13 HA ARG 13 -3.097 -2.150 10.924 110 1HB ARG 13 2HB ARG 13 -1.530 -0.936 9.335 111 2HB ARG 13 1HB ARG 13 -2.939 -0.651 8.315 112 1HG ARG 13 2HG ARG 13 -3.267 1.208 9.483 113 2HG ARG 13 1HG ARG 13 -3.762 0.171 10.828 114 1HD ARG 13 2HD ARG 13 -0.888 0.346 10.675 115 2HD ARG 13 1HD ARG 13 -1.605 1.954 10.752 116 HE ARG 13 HE ARG 13 -1.552 -0.026 12.837 117 1HH1 ARG 13 1HH1 ARG 13 -3.196 2.797 11.607 118 2HH1 ARG 13 2HH1 ARG 13 -3.844 3.245 13.149 119 1HH2 ARG 13 1HH2 ARG 13 -2.406 0.562 14.864 120 2HH2 ARG 13 2HH2 ARG 13 -3.396 1.976 14.998 121 H PHE 14 H PHE 14 -4.420 -1.689 7.647 122 HA PHE 14 HA PHE 14 -7.054 -1.295 8.697 123 1HB PHE 14 2HB PHE 14 -5.998 -1.428 5.873 124 2HB PHE 14 1HB PHE 14 -7.619 -0.934 6.328 125 HD1 PHE 14 1HD PHE 14 -7.981 1.175 7.531 126 HD2 PHE 14 2HD PHE 14 -4.133 0.043 6.162 127 HE1 PHE 14 1HE PHE 14 -7.203 3.470 7.841 128 HE2 PHE 14 2HE PHE 14 -3.342 2.328 6.473 129 HZ PHE 14 HZ PHE 14 -4.887 4.027 7.308 130 H GLY 15 H GLY 15 -5.400 -3.784 6.787 131 1HA GLY 15 2HA GLY 15 -6.157 -6.102 7.372 132 2HA GLY 15 1HA GLY 15 -7.787 -5.494 7.135 133 H GLN 16 H GLN 16 -6.078 -7.623 5.789 134 HA GLN 16 HA GLN 16 -5.461 -6.852 3.174 135 1HB GLN 16 2HB GLN 16 -6.304 -9.518 4.309 136 2HB GLN 16 1HB GLN 16 -5.776 -9.306 2.644 137 1HG GLN 16 2HG GLN 16 -3.646 -9.380 3.237 138 2HG GLN 16 1HG GLN 16 -3.881 -8.131 4.456 139 1HE2 GLN 16 1HE2 GLN 16 -4.400 -8.737 6.576 140 2HE2 GLN 16 2HE2 GLN 16 -4.093 -10.344 7.160 141 H THR 17 H THR 17 -8.507 -7.670 4.669 142 HA THR 17 HA THR 17 -10.000 -8.136 2.319 143 HB THR 17 HB THR 17 -10.940 -7.101 4.999 144 HG1 THR 17 1HG THR 17 -10.820 -9.753 4.008 145 1HG2 THR 17 1HG2 THR 17 -13.100 -7.661 4.464 146 2HG2 THR 17 2HG2 THR 17 -12.610 -8.748 3.163 147 3HG2 THR 17 3HG2 THR 17 -12.520 -7.001 2.936 148 H LYS 18 H LYS 18 -9.630 -5.216 4.322 149 HA LYS 18 HA LYS 18 -11.230 -3.556 2.697 150 1HB LYS 18 2HB LYS 18 -10.330 -3.211 5.126 151 2HB LYS 18 1HB LYS 18 -8.954 -2.481 4.319 152 1HG LYS 18 2HG LYS 18 -10.490 -0.909 3.191 153 2HG LYS 18 1HG LYS 18 -11.820 -1.604 4.112 154 1HD LYS 18 2HD LYS 18 -11.250 -0.510 5.991 155 2HD LYS 18 1HD LYS 18 -9.532 -0.785 5.744 156 1HE LYS 18 2HE LYS 18 -9.260 1.272 4.946 157 2HE LYS 18 1HE LYS 18 -10.540 1.033 3.761 158 1HZ LYS 18 1HZ LYS 18 -11.970 1.390 5.976 159 2HZ LYS 18 2HZ LYS 18 -11.520 2.653 4.942 160 3HZ LYS 18 3HZ LYS 18 -10.620 2.353 6.343 161 H THR 19 H THR 19 -7.816 -4.367 2.639 162 HA THR 19 HA THR 19 -6.906 -2.383 0.894 163 HB THR 19 HB THR 19 -5.822 -5.175 0.759 164 HG1 THR 19 1HG THR 19 -4.855 -4.923 2.725 165 1HG2 THR 19 1HG2 THR 19 -3.692 -3.671 1.156 166 2HG2 THR 19 2HG2 THR 19 -4.743 -2.433 0.471 167 3HG2 THR 19 3HG2 THR 19 -4.391 -3.897 -0.448 168 H ALA 20 H ALA 20 -8.067 -5.667 0.164 169 HA ALA 20 HA ALA 20 -7.832 -5.460 -2.633 170 1HB ALA 20 1HB ALA 20 -9.866 -7.263 -2.252 171 2HB ALA 20 2HB ALA 20 -8.990 -7.333 -0.723 172 3HB ALA 20 3HB ALA 20 -8.143 -7.639 -2.238 173 H LYS 21 H LYS 21 -10.380 -4.547 -0.408 174 HA LYS 21 HA LYS 21 -12.330 -4.060 -2.462 175 1HB LYS 21 2HB LYS 21 -12.610 -4.543 0.132 176 2HB LYS 21 1HB LYS 21 -12.540 -2.788 0.228 177 1HG LYS 21 2HG LYS 21 -14.400 -4.070 -1.722 178 2HG LYS 21 1HG LYS 21 -14.830 -4.021 -0.011 179 1HD LYS 21 2HD LYS 21 -14.960 -1.714 0.023 180 2HD LYS 21 1HD LYS 21 -13.900 -1.528 -1.371 181 1HE LYS 21 2HE LYS 21 -15.580 -2.039 -2.887 182 2HE LYS 21 1HE LYS 21 -16.560 -2.851 -1.670 183 1HZ LYS 21 1HZ LYS 21 -16.390 -0.029 -2.329 184 2HZ LYS 21 2HZ LYS 21 -16.490 -0.386 -0.679 185 3HZ LYS 21 3HZ LYS 21 -17.700 -0.924 -1.740 186 H ASP 22 H ASP 22 -10.080 -2.095 -0.579 187 HA ASP 22 HA ASP 22 -11.000 0.401 -1.600 188 1HB ASP 22 2HB ASP 22 -8.865 -0.543 0.178 189 2HB ASP 22 1HB ASP 22 -8.440 0.888 -0.763 190 H LEU 23 H LEU 23 -8.439 -1.846 -2.486 191 HA LEU 23 HA LEU 23 -7.373 -0.111 -4.521 192 1HB LEU 23 2HB LEU 23 -6.792 -2.861 -3.533 193 2HB LEU 23 1HB LEU 23 -6.235 -2.422 -5.136 194 HG LEU 23 HG LEU 23 -5.349 -0.296 -3.684 195 1HD1 LEU 23 1HD1 LEU 23 -5.036 -2.715 -1.916 196 2HD1 LEU 23 2HD1 LEU 23 -6.102 -1.350 -1.588 197 3HD1 LEU 23 3HD1 LEU 23 -4.356 -1.112 -1.640 198 1HD2 LEU 23 1HD2 LEU 23 -3.905 -2.901 -4.153 199 2HD2 LEU 23 2HD2 LEU 23 -3.148 -1.340 -3.833 200 3HD2 LEU 23 3HD2 LEU 23 -4.071 -1.586 -5.316 201 H GLY 24 H GLY 24 -9.732 -2.661 -4.329 202 1HA GLY 24 2HA GLY 24 -11.420 -2.988 -5.936 203 2HA GLY 24 1HA GLY 24 -10.420 -2.179 -7.128 204 H VAL 25 H VAL 25 -9.130 -4.683 -5.085 205 HA VAL 25 HA VAL 25 -9.169 -6.541 -7.371 206 HB VAL 25 HB VAL 25 -6.945 -7.383 -6.496 207 1HG1 VAL 25 1HG1 VAL 25 -6.499 -4.586 -7.345 208 2HG1 VAL 25 2HG1 VAL 25 -7.497 -5.589 -8.398 209 3HG1 VAL 25 3HG1 VAL 25 -5.853 -6.090 -8.003 210 1HG2 VAL 25 1HG2 VAL 25 -5.609 -5.826 -5.166 211 2HG2 VAL 25 2HG2 VAL 25 -7.045 -6.350 -4.287 212 3HG2 VAL 25 3HG2 VAL 25 -6.998 -4.750 -5.026 213 H GLN 26 H GLN 26 -8.292 -8.805 -6.414 214 HA GLN 26 HA GLN 26 -10.220 -9.492 -4.340 215 1HB GLN 26 2HB GLN 26 -9.750 -11.830 -4.999 216 2HB GLN 26 1HB GLN 26 -10.280 -10.843 -6.351 217 1HG GLN 26 2HG GLN 26 -7.392 -10.893 -6.039 218 2HG GLN 26 1HG GLN 26 -8.099 -12.482 -6.330 219 1HE2 GLN 26 1HE2 GLN 26 -7.345 -12.737 -8.383 220 2HE2 GLN 26 2HE2 GLN 26 -7.860 -11.769 -9.718 221 H GLN 27 H GLN 27 -9.679 -10.543 -2.450 222 HA GLN 27 HA GLN 27 -7.338 -9.786 -1.161 223 1HB GLN 27 2HB GLN 27 -9.372 -11.920 -0.587 224 2HB GLN 27 1HB GLN 27 -7.966 -11.713 0.449 225 1HG GLN 27 2HG GLN 27 -9.179 -10.242 1.580 226 2HG GLN 27 1HG GLN 27 -8.957 -9.155 0.210 227 1HE2 GLN 27 1HE2 GLN 27 -10.920 -8.144 0.536 228 2HE2 GLN 27 2HE2 GLN 27 -12.430 -8.910 0.186 229 H SER 28 H SER 28 -7.919 -12.428 -3.284 230 HA SER 28 HA SER 28 -5.895 -14.193 -2.465 231 1HB SER 28 2HB SER 28 -7.502 -13.788 -4.927 232 2HB SER 28 1HB SER 28 -6.003 -14.697 -5.107 233 HG SER 28 HG SER 28 -6.739 -16.187 -3.642 234 H ALA 29 H ALA 29 -5.869 -11.613 -4.914 235 HA ALA 29 HA ALA 29 -3.189 -11.945 -5.700 236 1HB ALA 29 1HB ALA 29 -5.252 -9.851 -6.017 237 2HB ALA 29 2HB ALA 29 -4.251 -10.652 -7.227 238 3HB ALA 29 3HB ALA 29 -3.576 -9.353 -6.243 239 H ILE 30 H ILE 30 -4.673 -9.908 -3.215 240 HA ILE 30 HA ILE 30 -2.393 -8.458 -2.482 241 HB ILE 30 HB ILE 30 -4.593 -9.319 -0.602 242 1HG1 ILE 30 2HG1 ILE 30 -5.634 -8.344 -2.556 243 2HG1 ILE 30 1HG1 ILE 30 -5.695 -7.175 -1.241 244 1HG2 ILE 30 1HG2 ILE 30 -3.926 -6.819 0.131 245 2HG2 ILE 30 2HG2 ILE 30 -2.373 -7.384 -0.482 246 3HG2 ILE 30 3HG2 ILE 30 -3.186 -8.267 0.812 247 1HD1 ILE 30 1HD1 ILE 30 -3.467 -6.323 -2.346 248 2HD1 ILE 30 2HD1 ILE 30 -5.048 -5.831 -2.956 249 3HD1 ILE 30 3HD1 ILE 30 -4.146 -7.111 -3.770 250 H ASN 31 H ASN 31 -3.677 -11.519 -1.229 251 HA ASN 31 HA ASN 31 -1.711 -11.914 0.743 252 1HB ASN 31 2HB ASN 31 -3.984 -13.144 0.323 253 2HB ASN 31 1HB ASN 31 -3.008 -14.216 -0.678 254 1HD2 ASN 31 1HD2 ASN 31 -1.117 -15.195 0.357 255 2HD2 ASN 31 2HD2 ASN 31 -1.226 -15.624 2.036 256 H LYS 32 H LYS 32 -1.855 -12.763 -2.671 257 HA LYS 32 HA LYS 32 0.481 -14.368 -2.674 258 1HB LYS 32 2HB LYS 32 -0.815 -12.908 -4.976 259 2HB LYS 32 1HB LYS 32 0.357 -14.210 -5.110 260 1HG LYS 32 2HG LYS 32 -1.849 -15.046 -3.480 261 2HG LYS 32 1HG LYS 32 -2.434 -14.413 -5.019 262 1HD LYS 32 2HD LYS 32 -0.845 -15.903 -6.192 263 2HD LYS 32 1HD LYS 32 -0.370 -16.580 -4.633 264 1HE LYS 32 2HE LYS 32 -1.966 -18.100 -5.071 265 2HE LYS 32 1HE LYS 32 -3.065 -16.840 -4.509 266 1HZ LYS 32 1HZ LYS 32 -2.471 -17.684 -7.266 267 2HZ LYS 32 2HZ LYS 32 -3.026 -16.114 -6.970 268 3HZ LYS 32 3HZ LYS 32 -3.971 -17.443 -6.522 269 H TRP 33 H TRP 33 -0.112 -10.962 -2.931 270 HA TRP 33 HA TRP 33 2.341 -10.207 -4.098 271 1HB TRP 33 2HB TRP 33 0.245 -8.818 -2.483 272 2HB TRP 33 1HB TRP 33 1.679 -7.965 -3.036 273 HD1 TRP 33 HD TRP 33 1.231 -10.062 -5.750 274 HE1 TRP 33 1HE TRP 33 -0.279 -9.080 -7.601 275 HE3 TRP 33 3HE TRP 33 -1.042 -6.455 -3.025 276 HZ2 TRP 33 2HZ TRP 33 -2.203 -7.024 -7.841 277 HZ3 TRP 33 3HZ TRP 33 -2.718 -5.005 -4.112 278 HH2 TRP 33 HH TRP 33 -3.288 -5.289 -6.472 279 H ILE 34 H ILE 34 1.234 -10.439 -0.737 280 HA ILE 34 HA ILE 34 3.789 -9.602 0.311 281 HB ILE 34 HB ILE 34 1.496 -10.829 1.840 282 1HG1 ILE 34 2HG1 ILE 34 2.006 -7.876 1.501 283 2HG1 ILE 34 1HG1 ILE 34 0.936 -8.764 0.421 284 1HG2 ILE 34 1HG2 ILE 34 3.680 -8.964 2.755 285 2HG2 ILE 34 2HG2 ILE 34 3.705 -10.716 2.965 286 3HG2 ILE 34 3HG2 ILE 34 2.460 -9.748 3.757 287 1HD1 ILE 34 1HD1 ILE 34 0.620 -8.359 3.380 288 2HD1 ILE 34 2HD1 ILE 34 -0.382 -9.450 2.423 289 3HD1 ILE 34 3HD1 ILE 34 -0.394 -7.717 2.088 290 H HIS 35 H HIS 35 2.243 -12.581 -0.518 291 HA HIS 35 HA HIS 35 3.555 -14.377 1.152 292 1HB HIS 35 2HB HIS 35 1.792 -14.554 -0.986 293 2HB HIS 35 1HB HIS 35 3.224 -15.402 -1.552 294 HD1 HIS 35 1HD HIS 35 3.648 -16.234 1.697 295 HD2 HIS 35 2HD HIS 35 0.606 -17.181 -0.968 296 HE1 HIS 35 1HE HIS 35 2.583 -18.321 2.609 297 HE2 HIS 35 2HE HIS 35 0.803 -18.926 0.932 298 H ALA 36 H ALA 36 4.602 -12.794 -1.757 299 HA ALA 36 HA ALA 36 7.201 -14.167 -1.570 300 1HB ALA 36 1HB ALA 36 5.728 -14.276 -3.700 301 2HB ALA 36 2HB ALA 36 7.463 -13.993 -3.860 302 3HB ALA 36 3HB ALA 36 6.333 -12.645 -3.991 303 H GLY 37 H GLY 37 5.899 -11.460 -0.454 304 1HA GLY 37 2HA GLY 37 6.769 -9.457 0.250 305 2HA GLY 37 1HA GLY 37 8.354 -10.115 -0.123 306 H ARG 38 H ARG 38 5.521 -9.221 -2.095 307 HA ARG 38 HA ARG 38 7.215 -8.096 -4.127 308 1HB ARG 38 2HB ARG 38 4.920 -9.278 -4.403 309 2HB ARG 38 1HB ARG 38 4.238 -7.709 -3.995 310 1HG ARG 38 2HG ARG 38 5.416 -6.705 -5.886 311 2HG ARG 38 1HG ARG 38 6.095 -8.283 -6.296 312 1HD ARG 38 2HD ARG 38 4.029 -9.136 -6.949 313 2HD ARG 38 1HD ARG 38 3.133 -7.901 -6.065 314 HE ARG 38 HE ARG 38 4.637 -6.635 -8.051 315 1HH1 ARG 38 1HH1 ARG 38 1.946 -8.841 -7.784 316 2HH1 ARG 38 2HH1 ARG 38 1.216 -8.325 -9.267 317 1HH2 ARG 38 1HH2 ARG 38 3.678 -5.956 -10.001 318 2HH2 ARG 38 2HH2 ARG 38 2.198 -6.688 -10.527 319 H LYS 39 H LYS 39 8.146 -6.179 -3.865 320 HA LYS 39 HA LYS 39 7.412 -4.246 -1.985 321 1HB LYS 39 2HB LYS 39 9.074 -4.064 -4.495 322 2HB LYS 39 1HB LYS 39 8.872 -2.710 -3.392 323 1HG LYS 39 2HG LYS 39 9.947 -5.386 -2.542 324 2HG LYS 39 1HG LYS 39 10.964 -4.050 -3.084 325 1HD LYS 39 2HD LYS 39 8.964 -3.608 -0.906 326 2HD LYS 39 1HD LYS 39 10.499 -4.395 -0.538 327 1HE LYS 39 2HE LYS 39 11.692 -2.499 -0.828 328 2HE LYS 39 1HE LYS 39 10.679 -1.941 -2.158 329 1HZ LYS 39 1HZ LYS 39 10.389 -1.494 0.714 330 2HZ LYS 39 2HZ LYS 39 8.968 -1.659 -0.188 331 3HZ LYS 39 3HZ LYS 39 10.081 -0.449 -0.581 332 H ILE 40 H ILE 40 5.627 -3.070 -1.932 333 HA ILE 40 HA ILE 40 4.759 -1.646 -4.311 334 HB ILE 40 HB ILE 40 2.845 -3.447 -2.820 335 1HG1 ILE 40 2HG1 ILE 40 4.009 -3.661 -5.606 336 2HG1 ILE 40 1HG1 ILE 40 4.311 -4.754 -4.258 337 1HG2 ILE 40 1HG2 ILE 40 2.463 -1.529 -5.107 338 2HG2 ILE 40 2HG2 ILE 40 1.684 -1.502 -3.526 339 3HG2 ILE 40 3HG2 ILE 40 1.290 -2.775 -4.680 340 1HD1 ILE 40 1HD1 ILE 40 1.981 -5.448 -4.288 341 2HD1 ILE 40 2HD1 ILE 40 2.747 -5.707 -5.855 342 3HD1 ILE 40 3HD1 ILE 40 1.662 -4.337 -5.620 343 H PHE 41 H PHE 41 3.188 0.033 -3.836 344 HA PHE 41 HA PHE 41 2.813 0.679 -1.015 345 1HB PHE 41 2HB PHE 41 4.191 2.513 -2.986 346 2HB PHE 41 1HB PHE 41 3.588 3.030 -1.414 347 HD1 PHE 41 1HD PHE 41 5.924 0.631 -3.023 348 HD2 PHE 41 2HD PHE 41 4.930 2.848 0.472 349 HE1 PHE 41 1HE PHE 41 8.056 -0.043 -1.995 350 HE2 PHE 41 2HE PHE 41 7.060 2.177 1.506 351 HZ PHE 41 HZ PHE 41 8.625 0.730 0.273 352 H LEU 42 H LEU 42 0.830 1.454 -0.649 353 HA LEU 42 HA LEU 42 -0.792 2.206 -2.963 354 1HB LEU 42 2HB LEU 42 -2.595 2.094 -0.983 355 2HB LEU 42 1HB LEU 42 -2.133 0.709 -1.949 356 HG LEU 42 HG LEU 42 -2.273 0.258 0.480 357 1HD1 LEU 42 1HD1 LEU 42 -0.174 -0.447 -1.315 358 2HD1 LEU 42 2HD1 LEU 42 -0.939 -1.414 -0.054 359 3HD1 LEU 42 3HD1 LEU 42 0.447 -0.395 0.336 360 1HD2 LEU 42 1HD2 LEU 42 -1.263 1.483 2.026 361 2HD2 LEU 42 2HD2 LEU 42 -0.897 2.641 0.750 362 3HD2 LEU 42 3HD2 LEU 42 0.283 1.404 1.181 363 H THR 43 H THR 43 -2.250 4.012 -2.812 364 HA THR 43 HA THR 43 -1.255 6.126 -1.017 365 HB THR 43 HB THR 43 -2.531 6.663 -3.687 366 HG1 THR 43 1HG THR 43 0.242 6.343 -3.199 367 1HG2 THR 43 1HG2 THR 43 -1.368 8.743 -3.609 368 2HG2 THR 43 2HG2 THR 43 -0.505 8.261 -2.149 369 3HG2 THR 43 3HG2 THR 43 -2.244 8.539 -2.092 370 H ILE 44 H ILE 44 -2.720 6.238 0.574 371 HA ILE 44 HA ILE 44 -5.537 5.847 0.071 372 HB ILE 44 HB ILE 44 -4.247 6.766 2.638 373 1HG1 ILE 44 2HG1 ILE 44 -4.879 3.930 1.796 374 2HG1 ILE 44 1HG1 ILE 44 -3.264 4.631 1.770 375 1HG2 ILE 44 1HG2 ILE 44 -6.867 5.376 2.093 376 2HG2 ILE 44 2HG2 ILE 44 -6.666 7.080 2.505 377 3HG2 ILE 44 3HG2 ILE 44 -6.245 5.830 3.679 378 1HD1 ILE 44 1HD1 ILE 44 -3.335 3.438 3.758 379 2HD1 ILE 44 2HD1 ILE 44 -4.982 3.955 4.122 380 3HD1 ILE 44 3HD1 ILE 44 -3.647 5.100 4.259 381 H ASN 45 H ASN 45 -6.752 7.413 -0.734 382 HA ASN 45 HA ASN 45 -5.975 10.188 -0.498 383 1HB ASN 45 2HB ASN 45 -8.461 9.008 -1.756 384 2HB ASN 45 1HB ASN 45 -7.847 10.643 -1.980 385 1HD2 ASN 45 1HD2 ASN 45 -8.342 9.132 -4.151 386 2HD2 ASN 45 2HD2 ASN 45 -6.856 8.643 -4.903 387 H ALA 46 H ALA 46 -7.893 11.771 -0.054 388 HA ALA 46 HA ALA 46 -8.780 11.206 2.642 389 1HB ALA 46 1HB ALA 46 -8.865 13.645 0.895 390 2HB ALA 46 2HB ALA 46 -7.948 13.378 2.377 391 3HB ALA 46 3HB ALA 46 -9.697 13.581 2.448 392 H ASP 47 H ASP 47 -10.010 10.328 -0.232 393 HA ASP 47 HA ASP 47 -12.800 10.805 0.541 394 1HB ASP 47 2HB ASP 47 -12.930 9.784 -1.990 395 2HB ASP 47 1HB ASP 47 -12.910 11.502 -1.603 396 H GLY 48 H GLY 48 -10.380 8.409 0.244 397 1HA GLY 48 2HA GLY 48 -10.840 6.304 1.416 398 2HA GLY 48 1HA GLY 48 -12.430 6.315 0.642 399 H SER 49 H SER 49 -9.999 7.406 -1.436 400 HA SER 49 HA SER 49 -10.100 4.893 -2.909 401 1HB SER 49 2HB SER 49 -10.020 7.637 -3.641 402 2HB SER 49 1HB SER 49 -8.592 6.851 -4.303 403 HG SER 49 HG SER 49 -10.220 6.590 -5.776 404 H VAL 50 H VAL 50 -8.522 3.465 -2.784 405 HA VAL 50 HA VAL 50 -5.825 4.408 -2.050 406 HB VAL 50 HB VAL 50 -6.725 1.623 -1.426 407 1HG1 VAL 50 1HG1 VAL 50 -4.525 1.693 -0.926 408 2HG1 VAL 50 2HG1 VAL 50 -5.122 2.382 0.583 409 3HG1 VAL 50 3HG1 VAL 50 -4.521 3.441 -0.693 410 1HG2 VAL 50 1HG2 VAL 50 -7.287 2.473 0.889 411 2HG2 VAL 50 2HG2 VAL 50 -8.457 2.851 -0.374 412 3HG2 VAL 50 3HG2 VAL 50 -7.335 4.091 0.188 413 H TYR 51 H TYR 51 -4.750 4.406 -3.945 414 HA TYR 51 HA TYR 51 -5.011 2.049 -5.682 415 1HB TYR 51 2HB TYR 51 -4.153 3.413 -7.484 416 2HB TYR 51 1HB TYR 51 -5.485 4.263 -6.709 417 HD1 TYR 51 1HD TYR 51 -1.768 4.067 -6.761 418 HD2 TYR 51 2HD TYR 51 -5.196 6.456 -5.970 419 HE1 TYR 51 1HE TYR 51 -0.319 6.029 -6.451 420 HE2 TYR 51 2HE TYR 51 -3.758 8.427 -5.657 421 HH TYR 51 HH TYR 51 -0.631 8.597 -6.659 422 H ALA 52 H ALA 52 -3.236 0.875 -6.321 423 HA ALA 52 HA ALA 52 -0.869 1.195 -4.642 424 1HB ALA 52 1HB ALA 52 -0.418 -1.095 -6.009 425 2HB ALA 52 2HB ALA 52 -2.181 -1.051 -6.011 426 3HB ALA 52 3HB ALA 52 -1.300 -1.007 -4.484 427 H GLU 53 H GLU 53 1.275 0.792 -5.627 428 HA GLU 53 HA GLU 53 1.596 1.273 -8.445 429 1HB GLU 53 2HB GLU 53 2.836 3.364 -8.235 430 2HB GLU 53 1HB GLU 53 1.194 3.558 -7.636 431 1HG GLU 53 2HG GLU 53 1.862 3.912 -5.508 432 2HG GLU 53 1HG GLU 53 3.239 2.820 -5.640 433 H GLU 54 H GLU 54 4.083 1.722 -8.851 434 HA GLU 54 HA GLU 54 5.617 -0.012 -7.029 435 1HB GLU 54 2HB GLU 54 4.895 -0.753 -9.534 436 2HB GLU 54 1HB GLU 54 6.431 0.035 -9.870 437 1HG GLU 54 2HG GLU 54 6.032 -2.183 -7.874 438 2HG GLU 54 1HG GLU 54 6.639 -2.391 -9.516 439 H VAL 55 H VAL 55 7.566 0.718 -6.396 440 HA VAL 55 HA VAL 55 9.000 2.722 -7.893 441 HB VAL 55 HB VAL 55 7.398 4.126 -6.674 442 1HG1 VAL 55 1HG1 VAL 55 8.566 3.646 -4.031 443 2HG1 VAL 55 2HG1 VAL 55 7.610 2.304 -4.659 444 3HG1 VAL 55 3HG1 VAL 55 6.885 3.904 -4.504 445 1HG2 VAL 55 1HG2 VAL 55 8.981 5.666 -5.707 446 2HG2 VAL 55 2HG2 VAL 55 9.702 4.919 -7.134 447 3HG2 VAL 55 3HG2 VAL 55 10.175 4.381 -5.521 448 H LYS 56 H LYS 56 10.944 1.796 -7.872 449 HA LYS 56 HA LYS 56 12.253 1.330 -5.325 450 1HB LYS 56 2HB LYS 56 11.048 -0.821 -6.365 451 2HB LYS 56 1HB LYS 56 12.551 -0.894 -7.273 452 1HG LYS 56 2HG LYS 56 13.652 -0.628 -4.924 453 2HG LYS 56 1HG LYS 56 12.090 -1.206 -4.347 454 1HD LYS 56 2HD LYS 56 12.341 -3.140 -5.939 455 2HD LYS 56 1HD LYS 56 13.999 -2.600 -6.212 456 1HE LYS 56 2HE LYS 56 13.939 -2.647 -3.515 457 2HE LYS 56 1HE LYS 56 12.797 -3.939 -3.878 458 1HZ LYS 56 1HZ LYS 56 14.425 -5.273 -4.574 459 2HZ LYS 56 2HZ LYS 56 15.482 -4.212 -3.787 460 3HZ LYS 56 3HZ LYS 56 15.206 -4.052 -5.448 461 HA PRO 57 HA PRO 57 14.999 3.142 -8.580 462 1HB PRO 57 2HB PRO 57 16.015 5.116 -7.041 463 2HB PRO 57 1HB PRO 57 14.472 5.276 -7.888 464 1HG PRO 57 2HG PRO 57 14.999 4.606 -5.017 465 2HG PRO 57 1HG PRO 57 13.787 5.702 -5.706 466 1HD PRO 57 2HD PRO 57 13.209 3.169 -4.893 467 2HD PRO 57 1HD PRO 57 12.339 3.988 -6.205 468 H ASP 58 H ASP 58 17.067 2.534 -8.880 469 HA ASP 58 HA ASP 58 19.019 1.411 -8.532 470 1HB ASP 58 2HB ASP 58 19.664 3.565 -7.640 471 2HB ASP 58 1HB ASP 58 18.939 3.175 -6.078 472 HA PRO 59 HA PRO 59 16.872 -1.696 -5.735 473 1HB PRO 59 2HB PRO 59 17.994 -3.434 -7.871 474 2HB PRO 59 1HB PRO 59 16.397 -3.468 -7.114 475 1HG PRO 59 2HG PRO 59 16.715 -2.519 -9.585 476 2HG PRO 59 1HG PRO 59 15.580 -1.760 -8.453 477 1HD PRO 59 2HD PRO 59 18.301 -0.860 -9.303 478 2HD PRO 59 1HD PRO 59 16.846 0.101 -8.972 479 H SER 60 H SER 60 18.583 -1.158 -4.231 480 HA SER 60 HA SER 60 20.483 -3.284 -3.957 481 1HB SER 60 2HB SER 60 22.464 -1.683 -3.818 482 2HB SER 60 1HB SER 60 21.852 -2.025 -5.435 483 HG SER 60 HG SER 60 21.295 0.269 -3.860 484 H ASN 61 H ASN 61 19.325 -3.549 -2.013 485 HA ASN 61 HA ASN 61 20.022 -1.571 0.057 486 1HB ASN 61 2HB ASN 61 17.868 -2.239 1.196 487 2HB ASN 61 1HB ASN 61 17.673 -1.321 -0.294 488 1HD2 ASN 61 1HD2 ASN 61 17.604 -4.553 1.082 489 2HD2 ASN 61 2HD2 ASN 61 16.515 -5.227 -0.089 490 H LYS 62 H LYS 62 20.658 -2.361 2.041 491 HA LYS 62 HA LYS 62 20.816 -5.281 2.329 492 1HB LYS 62 2HB LYS 62 23.111 -4.911 3.365 493 2HB LYS 62 1HB LYS 62 23.001 -4.752 1.617 494 1HG LYS 62 2HG LYS 62 23.978 -2.776 1.801 495 2HG LYS 62 1HG LYS 62 22.532 -2.189 2.622 496 1HD LYS 62 2HD LYS 62 23.611 -3.240 4.734 497 2HD LYS 62 1HD LYS 62 25.101 -3.185 3.793 498 1HE LYS 62 2HE LYS 62 24.100 -0.680 3.397 499 2HE LYS 62 1HE LYS 62 23.575 -1.017 5.046 500 1HZ LYS 62 1HZ LYS 62 26.103 -1.836 5.152 501 2HZ LYS 62 2HZ LYS 62 25.620 -0.261 5.533 502 3HZ LYS 62 3HZ LYS 62 26.250 -0.605 4.002 503 H LYS 63 H LYS 63 21.056 -2.130 3.933 504 HA LYS 63 HA LYS 63 19.845 -3.347 6.315 505 1HB LYS 63 2HB LYS 63 22.498 -2.407 6.161 506 2HB LYS 63 1HB LYS 63 21.606 -1.193 7.069 507 1HG LYS 63 2HG LYS 63 21.209 -2.588 8.819 508 2HG LYS 63 1HG LYS 63 21.199 -4.035 7.808 509 1HD LYS 63 2HD LYS 63 23.427 -4.344 8.004 510 2HD LYS 63 1HD LYS 63 23.774 -2.613 7.961 511 1HE LYS 63 2HE LYS 63 22.480 -2.874 10.351 512 2HE LYS 63 1HE LYS 63 23.361 -4.399 10.245 513 1HZ LYS 63 1HZ LYS 63 24.367 -1.695 10.570 514 2HZ LYS 63 2HZ LYS 63 25.257 -2.681 9.524 515 3HZ LYS 63 3HZ LYS 63 25.002 -3.162 11.126 516 H THR 64 H THR 64 18.002 -2.363 6.775 517 HA THR 64 HA THR 64 17.779 0.529 6.295 518 HB THR 64 HB THR 64 16.626 -0.625 4.473 519 HG1 THR 64 1HG THR 64 15.689 1.288 5.310 520 1HG2 THR 64 1HG2 THR 64 14.490 -1.697 6.178 521 2HG2 THR 64 2HG2 THR 64 16.006 -2.599 6.187 522 3HG2 THR 64 3HG2 THR 64 15.161 -2.309 4.667 523 H THR 65 H THR 65 16.835 1.674 7.893 524 HA THR 65 HA THR 65 15.851 0.155 10.213 525 HB THR 65 HB THR 65 16.341 2.293 11.475 526 HG1 THR 65 1HG THR 65 17.771 3.735 10.419 527 1HG2 THR 65 1HG2 THR 65 18.990 1.947 10.731 528 2HG2 THR 65 2HG2 THR 65 18.235 0.376 10.465 529 3HG2 THR 65 3HG2 THR 65 18.140 1.143 12.051 530 H ALA 66 H ALA 66 13.735 0.178 10.532 531 HA ALA 66 HA ALA 66 12.216 2.589 9.812 532 1HB ALA 66 1HB ALA 66 10.758 1.502 8.491 533 2HB ALA 66 2HB ALA 66 10.770 0.051 9.496 534 3HB ALA 66 3HB ALA 66 12.065 0.327 8.330 Start of MODEL 9 1 1H MET 1 1HT MET 1 -1.501 16.030 -1.381 2 2H MET 1 2HT MET 1 -0.613 14.759 -2.117 3 3H MET 1 3HT MET 1 0.177 15.868 -1.071 4 HA MET 1 HA MET 1 -0.847 15.044 0.792 5 1HB MET 1 2HB MET 1 -2.647 13.270 0.525 6 2HB MET 1 1HB MET 1 -3.097 14.904 0.056 7 1HG MET 1 2HG MET 1 -2.001 13.267 -2.112 8 2HG MET 1 1HG MET 1 -3.521 12.684 -1.438 9 1HE MET 1 1HE MET 1 -5.529 13.538 -1.489 10 2HE MET 1 2HE MET 1 -5.757 13.657 -3.234 11 3HE MET 1 3HE MET 1 -6.129 15.036 -2.200 12 H GLU 2 H GLU 2 0.804 13.892 1.553 13 HA GLU 2 HA GLU 2 1.866 11.658 0.014 14 1HB GLU 2 2HB GLU 2 3.130 13.582 1.422 15 2HB GLU 2 1HB GLU 2 3.027 12.332 2.654 16 1HG GLU 2 2HG GLU 2 4.493 10.975 1.601 17 2HG GLU 2 1HG GLU 2 3.979 11.484 -0.007 18 H GLN 3 H GLN 3 0.624 9.882 0.255 19 HA GLN 3 HA GLN 3 0.340 8.824 2.974 20 1HB GLN 3 2HB GLN 3 -1.794 9.948 1.885 21 2HB GLN 3 1HB GLN 3 -1.910 8.398 1.063 22 1HG GLN 3 2HG GLN 3 -2.662 7.368 2.884 23 2HG GLN 3 1HG GLN 3 -1.435 8.109 3.910 24 1HE2 GLN 3 1HE2 GLN 3 -3.256 8.131 5.438 25 2HE2 GLN 3 2HE2 GLN 3 -4.337 9.489 5.409 26 H ARG 4 H ARG 4 2.287 8.131 1.137 27 HA ARG 4 HA ARG 4 1.457 5.646 -0.138 28 1HB ARG 4 2HB ARG 4 4.190 6.934 -0.036 29 2HB ARG 4 1HB ARG 4 3.710 5.590 -1.062 30 1HG ARG 4 2HG ARG 4 2.713 6.925 -2.567 31 2HG ARG 4 1HG ARG 4 2.065 8.008 -1.333 32 1HD ARG 4 2HD ARG 4 4.658 8.601 -1.096 33 2HD ARG 4 1HD ARG 4 4.645 8.102 -2.786 34 HE ARG 4 HE ARG 4 3.488 10.487 -1.672 35 1HH1 ARG 4 1HH1 ARG 4 3.386 8.224 -4.327 36 2HH1 ARG 4 2HH1 ARG 4 2.673 9.357 -5.426 37 1HH2 ARG 4 1HH2 ARG 4 2.547 11.975 -3.116 38 2HH2 ARG 4 2HH2 ARG 4 2.196 11.486 -4.739 39 H ILE 5 H ILE 5 1.093 4.135 1.348 40 HA ILE 5 HA ILE 5 3.159 3.608 3.367 41 HB ILE 5 HB ILE 5 0.599 2.111 3.399 42 1HG1 ILE 5 2HG1 ILE 5 0.784 5.000 4.258 43 2HG1 ILE 5 1HG1 ILE 5 -0.112 4.388 2.875 44 1HG2 ILE 5 1HG2 ILE 5 1.110 3.105 5.916 45 2HG2 ILE 5 2HG2 ILE 5 2.723 2.878 5.240 46 3HG2 ILE 5 3HG2 ILE 5 1.598 1.521 5.313 47 1HD1 ILE 5 1HD1 ILE 5 -1.246 4.866 5.226 48 2HD1 ILE 5 2HD1 ILE 5 -0.739 3.200 5.503 49 3HD1 ILE 5 3HD1 ILE 5 -1.801 3.586 4.147 50 H THR 6 H THR 6 2.923 1.052 3.919 51 HA THR 6 HA THR 6 3.865 -0.250 1.490 52 HB THR 6 HB THR 6 4.492 -2.106 3.103 53 HG1 THR 6 1HG THR 6 4.013 -1.906 5.129 54 1HG2 THR 6 1HG2 THR 6 6.228 -0.626 2.448 55 2HG2 THR 6 2HG2 THR 6 6.337 -0.841 4.195 56 3HG2 THR 6 3HG2 THR 6 5.640 0.636 3.530 57 H LEU 7 H LEU 7 3.229 -2.546 1.112 58 HA LEU 7 HA LEU 7 0.350 -2.729 1.101 59 1HB LEU 7 2HB LEU 7 1.706 -3.372 -0.858 60 2HB LEU 7 1HB LEU 7 2.430 -4.665 0.080 61 HG LEU 7 HG LEU 7 -0.026 -5.483 0.378 62 1HD1 LEU 7 1HD1 LEU 7 -0.258 -3.380 -1.687 63 2HD1 LEU 7 2HD1 LEU 7 -1.443 -3.962 -0.519 64 3HD1 LEU 7 3HD1 LEU 7 -1.120 -4.889 -1.985 65 1HD2 LEU 7 1HD2 LEU 7 0.432 -7.054 -1.185 66 2HD2 LEU 7 2HD2 LEU 7 2.015 -6.276 -1.167 67 3HD2 LEU 7 3HD2 LEU 7 0.844 -5.863 -2.419 68 H LYS 8 H LYS 8 3.047 -4.303 2.709 69 HA LYS 8 HA LYS 8 1.578 -6.433 3.848 70 1HB LYS 8 2HB LYS 8 4.084 -6.309 3.607 71 2HB LYS 8 1HB LYS 8 4.090 -5.178 4.953 72 1HG LYS 8 2HG LYS 8 2.808 -7.064 6.200 73 2HG LYS 8 1HG LYS 8 3.481 -8.099 4.939 74 1HD LYS 8 2HD LYS 8 5.679 -7.678 5.600 75 2HD LYS 8 1HD LYS 8 5.232 -6.219 6.486 76 1HE LYS 8 2HE LYS 8 5.364 -7.535 8.297 77 2HE LYS 8 1HE LYS 8 3.775 -8.109 7.791 78 1HZ LYS 8 1HZ LYS 8 6.349 -9.449 7.690 79 2HZ LYS 8 2HZ LYS 8 5.351 -9.688 6.347 80 3HZ LYS 8 3HZ LYS 8 4.799 -10.094 7.893 81 H ASP 9 H ASP 9 2.534 -3.247 5.079 82 HA ASP 9 HA ASP 9 1.418 -3.563 7.655 83 1HB ASP 9 2HB ASP 9 2.109 -1.117 6.029 84 2HB ASP 9 1HB ASP 9 1.487 -1.016 7.671 85 H TYR 10 H TYR 10 0.210 -1.711 4.859 86 HA TYR 10 HA TYR 10 -2.222 -0.940 5.886 87 1HB TYR 10 2HB TYR 10 -1.132 -0.341 3.636 88 2HB TYR 10 1HB TYR 10 -1.921 -1.787 3.014 89 HD1 TYR 10 1HD TYR 10 -4.419 -1.933 3.057 90 HD2 TYR 10 2HD TYR 10 -2.346 1.667 3.974 91 HE1 TYR 10 1HE TYR 10 -6.488 -0.656 2.691 92 HE2 TYR 10 2HE TYR 10 -4.409 2.955 3.612 93 HH TYR 10 HH TYR 10 -6.516 2.789 2.521 94 H ALA 11 H ALA 11 -1.335 -4.037 4.476 95 HA ALA 11 HA ALA 11 -3.943 -5.094 4.252 96 1HB ALA 11 1HB ALA 11 -2.667 -7.328 4.361 97 2HB ALA 11 2HB ALA 11 -1.215 -6.326 4.393 98 3HB ALA 11 3HB ALA 11 -2.324 -6.229 3.026 99 H MET 12 H MET 12 -1.494 -5.398 6.813 100 HA MET 12 HA MET 12 -3.244 -6.910 8.498 101 1HB MET 12 2HB MET 12 -0.447 -6.174 8.466 102 2HB MET 12 1HB MET 12 -1.138 -5.965 10.069 103 1HG MET 12 2HG MET 12 -1.543 -8.195 10.341 104 2HG MET 12 1HG MET 12 -1.684 -8.493 8.609 105 1HE MET 12 1HE MET 12 0.141 -8.452 6.994 106 2HE MET 12 2HE MET 12 1.817 -8.888 7.325 107 3HE MET 12 3HE MET 12 1.295 -7.212 7.489 108 H ARG 13 H ARG 13 -2.478 -3.582 8.043 109 HA ARG 13 HA ARG 13 -3.522 -2.724 10.592 110 1HB ARG 13 2HB ARG 13 -1.741 -1.615 8.898 111 2HB ARG 13 1HB ARG 13 -3.200 -0.758 8.401 112 1HG ARG 13 2HG ARG 13 -2.109 -0.886 11.210 113 2HG ARG 13 1HG ARG 13 -1.938 0.475 10.091 114 1HD ARG 13 2HD ARG 13 -4.274 0.894 10.113 115 2HD ARG 13 1HD ARG 13 -4.608 -0.629 10.937 116 HE ARG 13 HE ARG 13 -2.923 1.148 12.439 117 1HH1 ARG 13 1HH1 ARG 13 -6.222 0.303 11.678 118 2HH1 ARG 13 2HH1 ARG 13 -6.862 0.963 13.145 119 1HH2 ARG 13 1HH2 ARG 13 -3.763 2.019 14.370 120 2HH2 ARG 13 2HH2 ARG 13 -5.466 1.938 14.673 121 H PHE 14 H PHE 14 -4.469 -1.948 7.242 122 HA PHE 14 HA PHE 14 -7.122 -1.247 8.105 123 1HB PHE 14 2HB PHE 14 -5.777 -1.260 5.405 124 2HB PHE 14 1HB PHE 14 -7.396 -0.661 5.711 125 HD1 PHE 14 1HD PHE 14 -7.736 1.369 7.056 126 HD2 PHE 14 2HD PHE 14 -3.852 0.008 6.048 127 HE1 PHE 14 1HE PHE 14 -6.820 3.547 7.668 128 HE2 PHE 14 2HE PHE 14 -2.923 2.175 6.663 129 HZ PHE 14 HZ PHE 14 -4.417 3.933 7.465 130 H GLY 15 H GLY 15 -5.812 -4.159 7.715 131 1HA GLY 15 2HA GLY 15 -6.671 -6.246 7.314 132 2HA GLY 15 1HA GLY 15 -8.260 -5.500 7.372 133 H GLN 16 H GLN 16 -7.009 -7.598 5.608 134 HA GLN 16 HA GLN 16 -6.642 -6.601 3.014 135 1HB GLN 16 2HB GLN 16 -7.666 -9.297 3.920 136 2HB GLN 16 1HB GLN 16 -7.163 -8.921 2.278 137 1HG GLN 16 2HG GLN 16 -5.221 -9.801 2.993 138 2HG GLN 16 1HG GLN 16 -4.961 -8.159 3.582 139 1HE2 GLN 16 1HE2 GLN 16 -3.482 -9.836 4.833 140 2HE2 GLN 16 2HE2 GLN 16 -4.104 -10.280 6.391 141 H THR 17 H THR 17 -9.533 -7.301 4.838 142 HA THR 17 HA THR 17 -11.390 -7.483 2.772 143 HB THR 17 HB THR 17 -11.780 -6.288 5.525 144 HG1 THR 17 1HG THR 17 -11.890 -8.268 6.236 145 1HG2 THR 17 1HG2 THR 17 -13.740 -5.753 4.405 146 2HG2 THR 17 2HG2 THR 17 -14.110 -7.289 5.187 147 3HG2 THR 17 3HG2 THR 17 -13.730 -7.247 3.467 148 H LYS 18 H LYS 18 -10.620 -4.598 4.731 149 HA LYS 18 HA LYS 18 -12.050 -2.842 2.996 150 1HB LYS 18 2HB LYS 18 -11.390 -2.583 5.524 151 2HB LYS 18 1HB LYS 18 -9.922 -1.880 4.869 152 1HG LYS 18 2HG LYS 18 -12.330 -0.794 3.658 153 2HG LYS 18 1HG LYS 18 -12.250 -0.540 5.402 154 1HD LYS 18 2HD LYS 18 -9.773 0.169 4.817 155 2HD LYS 18 1HD LYS 18 -10.490 0.497 3.240 156 1HE LYS 18 2HE LYS 18 -11.360 1.636 5.893 157 2HE LYS 18 1HE LYS 18 -10.520 2.499 4.607 158 1HZ LYS 18 1HZ LYS 18 -13.320 1.757 4.815 159 2HZ LYS 18 2HZ LYS 18 -12.630 1.592 3.279 160 3HZ LYS 18 3HZ LYS 18 -12.610 3.092 4.060 161 H THR 19 H THR 19 -8.739 -3.925 3.234 162 HA THR 19 HA THR 19 -7.585 -1.927 1.586 163 HB THR 19 HB THR 19 -6.637 -4.747 2.131 164 HG1 THR 19 1HG THR 19 -6.040 -4.020 3.991 165 1HG2 THR 19 1HG2 THR 19 -4.384 -3.811 1.711 166 2HG2 THR 19 2HG2 THR 19 -5.152 -2.344 1.104 167 3HG2 THR 19 3HG2 THR 19 -5.407 -3.881 0.276 168 H ALA 20 H ALA 20 -8.402 -5.329 0.885 169 HA ALA 20 HA ALA 20 -7.894 -5.202 -1.868 170 1HB ALA 20 1HB ALA 20 -8.658 -7.348 -1.965 171 2HB ALA 20 2HB ALA 20 -10.010 -7.036 -0.880 172 3HB ALA 20 3HB ALA 20 -8.384 -7.220 -0.228 173 H LYS 21 H LYS 21 -10.680 -4.291 0.014 174 HA LYS 21 HA LYS 21 -12.480 -4.115 -2.212 175 1HB LYS 21 2HB LYS 21 -13.200 -4.473 0.158 176 2HB LYS 21 1HB LYS 21 -12.730 -2.815 0.505 177 1HG LYS 21 2HG LYS 21 -14.590 -3.210 -1.756 178 2HG LYS 21 1HG LYS 21 -15.220 -3.531 -0.139 179 1HD LYS 21 2HD LYS 21 -13.660 -1.063 -0.337 180 2HD LYS 21 1HD LYS 21 -15.110 -1.072 -1.337 181 1HE LYS 21 2HE LYS 21 -16.450 -0.882 0.440 182 2HE LYS 21 1HE LYS 21 -15.580 -2.135 1.326 183 1HZ LYS 21 1HZ LYS 21 -14.180 -0.616 2.277 184 2HZ LYS 21 2HZ LYS 21 -15.590 0.299 2.185 185 3HZ LYS 21 3HZ LYS 21 -14.370 0.527 1.043 186 H ASP 22 H ASP 22 -10.440 -1.854 -0.429 187 HA ASP 22 HA ASP 22 -11.400 0.463 -1.800 188 1HB ASP 22 2HB ASP 22 -9.389 -0.146 0.254 189 2HB ASP 22 1HB ASP 22 -8.960 1.198 -0.805 190 H LEU 23 H LEU 23 -8.791 -1.819 -2.271 191 HA LEU 23 HA LEU 23 -7.515 -0.250 -4.326 192 1HB LEU 23 2HB LEU 23 -7.044 -2.875 -3.022 193 2HB LEU 23 1HB LEU 23 -6.406 -2.666 -4.642 194 HG LEU 23 HG LEU 23 -5.539 -0.378 -3.427 195 1HD1 LEU 23 1HD1 LEU 23 -5.843 -2.504 -1.361 196 2HD1 LEU 23 2HD1 LEU 23 -6.068 -0.760 -1.227 197 3HD1 LEU 23 3HD1 LEU 23 -4.441 -1.436 -1.306 198 1HD2 LEU 23 1HD2 LEU 23 -4.143 -1.713 -4.816 199 2HD2 LEU 23 2HD2 LEU 23 -4.208 -3.066 -3.687 200 3HD2 LEU 23 3HD2 LEU 23 -3.351 -1.590 -3.245 201 H GLY 24 H GLY 24 -9.886 -2.801 -4.141 202 1HA GLY 24 2HA GLY 24 -11.430 -3.320 -5.825 203 2HA GLY 24 1HA GLY 24 -10.420 -2.475 -6.985 204 H VAL 25 H VAL 25 -9.117 -4.864 -4.806 205 HA VAL 25 HA VAL 25 -8.914 -6.767 -7.046 206 HB VAL 25 HB VAL 25 -6.682 -7.441 -6.095 207 1HG1 VAL 25 1HG1 VAL 25 -7.103 -4.709 -7.272 208 2HG1 VAL 25 2HG1 VAL 25 -6.649 -6.201 -8.096 209 3HG1 VAL 25 3HG1 VAL 25 -5.498 -5.397 -7.028 210 1HG2 VAL 25 1HG2 VAL 25 -5.698 -6.371 -4.370 211 2HG2 VAL 25 2HG2 VAL 25 -7.361 -5.960 -3.947 212 3HG2 VAL 25 3HG2 VAL 25 -6.362 -4.801 -4.826 213 H GLN 26 H GLN 26 -7.951 -8.948 -6.003 214 HA GLN 26 HA GLN 26 -9.906 -9.695 -3.969 215 1HB GLN 26 2HB GLN 26 -8.094 -11.495 -5.583 216 2HB GLN 26 1HB GLN 26 -9.481 -11.981 -4.617 217 1HG GLN 26 2HG GLN 26 -10.250 -12.035 -6.806 218 2HG GLN 26 1HG GLN 26 -10.860 -10.504 -6.174 219 1HE2 GLN 26 1HE2 GLN 26 -7.876 -11.705 -7.682 220 2HE2 GLN 26 2HE2 GLN 26 -7.730 -10.413 -8.820 221 H GLN 27 H GLN 27 -9.365 -10.614 -2.027 222 HA GLN 27 HA GLN 27 -7.072 -9.763 -0.730 223 1HB GLN 27 2HB GLN 27 -8.863 -12.102 -0.064 224 2HB GLN 27 1HB GLN 27 -7.662 -11.425 1.028 225 1HG GLN 27 2HG GLN 27 -8.966 -9.700 1.593 226 2HG GLN 27 1HG GLN 27 -9.535 -9.461 -0.059 227 1HE2 GLN 27 1HE2 GLN 27 -9.757 -12.132 2.268 228 2HE2 GLN 27 2HE2 GLN 27 -11.470 -12.291 2.182 229 H SER 28 H SER 28 -7.546 -12.512 -2.748 230 HA SER 28 HA SER 28 -5.402 -14.104 -1.825 231 1HB SER 28 2HB SER 28 -6.835 -14.004 -4.485 232 2HB SER 28 1HB SER 28 -5.599 -15.201 -4.093 233 HG SER 28 HG SER 28 -7.348 -16.225 -3.429 234 H ALA 29 H ALA 29 -5.624 -11.419 -4.045 235 HA ALA 29 HA ALA 29 -3.099 -11.762 -5.290 236 1HB ALA 29 1HB ALA 29 -4.329 -10.345 -6.557 237 2HB ALA 29 2HB ALA 29 -3.511 -9.129 -5.575 238 3HB ALA 29 3HB ALA 29 -5.148 -9.636 -5.164 239 H ILE 30 H ILE 30 -4.176 -9.984 -2.435 240 HA ILE 30 HA ILE 30 -1.748 -8.625 -1.948 241 HB ILE 30 HB ILE 30 -4.017 -9.393 -0.111 242 1HG1 ILE 30 2HG1 ILE 30 -4.392 -6.908 -0.157 243 2HG1 ILE 30 1HG1 ILE 30 -3.135 -6.796 -1.385 244 1HG2 ILE 30 1HG2 ILE 30 -1.555 -7.775 0.529 245 2HG2 ILE 30 2HG2 ILE 30 -2.074 -9.280 1.289 246 3HG2 ILE 30 3HG2 ILE 30 -3.011 -7.805 1.523 247 1HD1 ILE 30 1HD1 ILE 30 -5.523 -6.811 -2.197 248 2HD1 ILE 30 2HD1 ILE 30 -5.572 -8.511 -1.727 249 3HD1 ILE 30 3HD1 ILE 30 -4.429 -7.968 -2.955 250 H ASN 31 H ASN 31 -2.898 -11.831 -1.158 251 HA ASN 31 HA ASN 31 -0.892 -12.462 0.742 252 1HB ASN 31 2HB ASN 31 -3.188 -13.645 0.134 253 2HB ASN 31 1HB ASN 31 -2.148 -14.599 -0.921 254 1HD2 ASN 31 1HD2 ASN 31 -2.922 -16.331 0.506 255 2HD2 ASN 31 2HD2 ASN 31 -2.049 -16.634 1.975 256 H LYS 32 H LYS 32 -1.213 -13.022 -2.742 257 HA LYS 32 HA LYS 32 1.247 -14.428 -2.974 258 1HB LYS 32 2HB LYS 32 -0.150 -13.008 -5.226 259 2HB LYS 32 1HB LYS 32 0.860 -14.446 -5.306 260 1HG LYS 32 2HG LYS 32 -1.194 -15.186 -3.614 261 2HG LYS 32 1HG LYS 32 -1.989 -14.197 -4.840 262 1HD LYS 32 2HD LYS 32 -0.030 -16.143 -5.863 263 2HD LYS 32 1HD LYS 32 -1.466 -16.842 -5.111 264 1HE LYS 32 2HE LYS 32 -2.906 -15.847 -6.648 265 2HE LYS 32 1HE LYS 32 -1.711 -14.644 -7.130 266 1HZ LYS 32 1HZ LYS 32 -1.081 -17.454 -7.625 267 2HZ LYS 32 2HZ LYS 32 -0.689 -16.083 -8.534 268 3HZ LYS 32 3HZ LYS 32 -2.250 -16.731 -8.613 269 H TRP 33 H TRP 33 0.341 -11.096 -3.003 270 HA TRP 33 HA TRP 33 2.575 -10.054 -4.369 271 1HB TRP 33 2HB TRP 33 0.548 -8.945 -2.474 272 2HB TRP 33 1HB TRP 33 1.833 -7.938 -3.117 273 HD1 TRP 33 HD TRP 33 1.323 -9.889 -5.903 274 HE1 TRP 33 1HE TRP 33 -0.467 -8.985 -7.529 275 HE3 TRP 33 3HE TRP 33 -1.049 -6.738 -2.727 276 HZ2 TRP 33 2HZ TRP 33 -2.622 -7.159 -7.439 277 HZ3 TRP 33 3HZ TRP 33 -2.978 -5.436 -3.548 278 HH2 TRP 33 HH TRP 33 -3.748 -5.648 -5.859 279 H ILE 34 H ILE 34 1.835 -10.404 -0.904 280 HA ILE 34 HA ILE 34 4.438 -9.452 -0.115 281 HB ILE 34 HB ILE 34 2.387 -10.848 1.605 282 1HG1 ILE 34 2HG1 ILE 34 2.701 -7.873 1.524 283 2HG1 ILE 34 1HG1 ILE 34 1.741 -8.659 0.274 284 1HG2 ILE 34 1HG2 ILE 34 4.636 -8.968 2.316 285 2HG2 ILE 34 2HG2 ILE 34 4.636 -10.716 2.559 286 3HG2 ILE 34 3HG2 ILE 34 3.496 -9.703 3.445 287 1HD1 ILE 34 1HD1 ILE 34 0.617 -7.769 2.443 288 2HD1 ILE 34 2HD1 ILE 34 1.203 -9.280 3.136 289 3HD1 ILE 34 3HD1 ILE 34 0.111 -9.310 1.750 290 H HIS 35 H HIS 35 2.951 -12.517 -0.778 291 HA HIS 35 HA HIS 35 4.648 -14.219 0.654 292 1HB HIS 35 2HB HIS 35 2.719 -14.464 -1.536 293 2HB HIS 35 1HB HIS 35 4.011 -15.654 -1.604 294 HD1 HIS 35 1HD HIS 35 3.133 -14.688 1.820 295 HD2 HIS 35 2HD HIS 35 1.886 -17.505 -0.966 296 HE1 HIS 35 1HE HIS 35 1.825 -16.391 3.128 297 HE2 HIS 35 2HE HIS 35 1.162 -18.137 1.437 298 H ALA 36 H ALA 36 4.972 -12.705 -2.466 299 HA ALA 36 HA ALA 36 7.541 -14.028 -2.918 300 1HB ALA 36 1HB ALA 36 5.856 -12.314 -4.734 301 2HB ALA 36 2HB ALA 36 6.011 -14.070 -4.779 302 3HB ALA 36 3HB ALA 36 7.395 -13.052 -5.181 303 H GLY 37 H GLY 37 6.665 -11.485 -1.179 304 1HA GLY 37 2HA GLY 37 7.789 -9.646 -0.395 305 2HA GLY 37 1HA GLY 37 9.214 -10.278 -1.204 306 H ARG 38 H ARG 38 6.303 -9.592 -2.988 307 HA ARG 38 HA ARG 38 7.664 -7.849 -4.765 308 1HB ARG 38 2HB ARG 38 5.764 -9.218 -5.485 309 2HB ARG 38 1HB ARG 38 4.699 -8.328 -4.407 310 1HG ARG 38 2HG ARG 38 4.835 -6.378 -5.705 311 2HG ARG 38 1HG ARG 38 6.236 -6.971 -6.597 312 1HD ARG 38 2HD ARG 38 4.950 -8.492 -7.829 313 2HD ARG 38 1HD ARG 38 3.594 -8.387 -6.708 314 HE ARG 38 HE ARG 38 3.770 -5.874 -7.668 315 1HH1 ARG 38 1HH1 ARG 38 3.620 -8.995 -9.222 316 2HH1 ARG 38 2HH1 ARG 38 2.824 -8.392 -10.636 317 1HH2 ARG 38 1HH2 ARG 38 2.721 -5.078 -9.527 318 2HH2 ARG 38 2HH2 ARG 38 2.313 -6.169 -10.810 319 H LYS 39 H LYS 39 8.411 -5.958 -4.007 320 HA LYS 39 HA LYS 39 7.294 -4.443 -1.946 321 1HB LYS 39 2HB LYS 39 8.827 -2.723 -2.534 322 2HB LYS 39 1HB LYS 39 9.631 -4.250 -2.862 323 1HG LYS 39 2HG LYS 39 8.246 -2.627 -4.981 324 2HG LYS 39 1HG LYS 39 9.956 -2.461 -4.584 325 1HD LYS 39 2HD LYS 39 9.941 -5.074 -4.930 326 2HD LYS 39 1HD LYS 39 8.518 -4.709 -5.907 327 1HE LYS 39 2HE LYS 39 9.731 -3.734 -7.534 328 2HE LYS 39 1HE LYS 39 10.836 -2.971 -6.392 329 1HZ LYS 39 1HZ LYS 39 12.082 -4.538 -7.609 330 2HZ LYS 39 2HZ LYS 39 10.922 -5.752 -7.408 331 3HZ LYS 39 3HZ LYS 39 11.837 -5.232 -6.085 332 H ILE 40 H ILE 40 5.695 -2.999 -1.828 333 HA ILE 40 HA ILE 40 4.718 -1.612 -4.166 334 HB ILE 40 HB ILE 40 2.858 -3.467 -2.674 335 1HG1 ILE 40 2HG1 ILE 40 4.019 -3.629 -5.463 336 2HG1 ILE 40 1HG1 ILE 40 4.282 -4.760 -4.140 337 1HG2 ILE 40 1HG2 ILE 40 1.682 -1.502 -3.341 338 2HG2 ILE 40 2HG2 ILE 40 1.248 -2.790 -4.466 339 3HG2 ILE 40 3HG2 ILE 40 2.403 -1.548 -4.951 340 1HD1 ILE 40 1HD1 ILE 40 1.696 -4.279 -5.594 341 2HD1 ILE 40 2HD1 ILE 40 1.900 -5.360 -4.216 342 3HD1 ILE 40 3HD1 ILE 40 2.740 -5.692 -5.731 343 H PHE 41 H PHE 41 3.171 0.053 -3.643 344 HA PHE 41 HA PHE 41 2.757 0.615 -0.816 345 1HB PHE 41 2HB PHE 41 4.250 2.459 -2.685 346 2HB PHE 41 1HB PHE 41 3.534 3.002 -1.169 347 HD1 PHE 41 1HD PHE 41 5.950 0.541 -2.559 348 HD2 PHE 41 2HD PHE 41 4.737 2.846 0.807 349 HE1 PHE 41 1HE PHE 41 7.989 -0.140 -1.362 350 HE2 PHE 41 2HE PHE 41 6.773 2.169 2.010 351 HZ PHE 41 HZ PHE 41 8.403 0.675 0.925 352 H LEU 42 H LEU 42 0.752 1.326 -0.489 353 HA LEU 42 HA LEU 42 -0.798 2.181 -2.811 354 1HB LEU 42 2HB LEU 42 -2.635 2.089 -0.846 355 2HB LEU 42 1HB LEU 42 -2.210 0.719 -1.850 356 HG LEU 42 HG LEU 42 -2.389 0.200 0.564 357 1HD1 LEU 42 1HD1 LEU 42 0.293 -0.561 0.442 358 2HD1 LEU 42 2HD1 LEU 42 -0.270 -0.502 -1.227 359 3HD1 LEU 42 3HD1 LEU 42 -1.118 -1.499 -0.046 360 1HD2 LEU 42 1HD2 LEU 42 -1.605 1.838 1.891 361 2HD2 LEU 42 2HD2 LEU 42 -0.373 2.335 0.735 362 3HD2 LEU 42 3HD2 LEU 42 -0.104 0.924 1.754 363 H THR 43 H THR 43 -2.245 4.014 -2.646 364 HA THR 43 HA THR 43 -1.289 6.053 -0.752 365 HB THR 43 HB THR 43 -2.312 6.938 -3.394 366 HG1 THR 43 1HG THR 43 0.255 5.790 -3.029 367 1HG2 THR 43 1HG2 THR 43 -0.373 8.512 -3.166 368 2HG2 THR 43 2HG2 THR 43 -0.122 7.845 -1.553 369 3HG2 THR 43 3HG2 THR 43 -1.633 8.669 -1.942 370 H ILE 44 H ILE 44 -2.831 6.711 0.562 371 HA ILE 44 HA ILE 44 -5.612 6.174 -0.053 372 HB ILE 44 HB ILE 44 -4.543 7.580 2.390 373 1HG1 ILE 44 2HG1 ILE 44 -5.112 4.626 2.207 374 2HG1 ILE 44 1HG1 ILE 44 -3.508 5.278 1.888 375 1HG2 ILE 44 1HG2 ILE 44 -7.045 7.524 1.713 376 2HG2 ILE 44 2HG2 ILE 44 -6.589 7.163 3.378 377 3HG2 ILE 44 3HG2 ILE 44 -6.975 5.850 2.265 378 1HD1 ILE 44 1HD1 ILE 44 -4.252 6.418 4.302 379 2HD1 ILE 44 2HD1 ILE 44 -3.121 5.086 4.058 380 3HD1 ILE 44 3HD1 ILE 44 -4.819 4.751 4.398 381 H ASN 45 H ASN 45 -6.843 7.569 -1.112 382 HA ASN 45 HA ASN 45 -6.019 10.304 -1.490 383 1HB ASN 45 2HB ASN 45 -8.550 8.896 -2.374 384 2HB ASN 45 1HB ASN 45 -8.006 10.477 -2.925 385 1HD2 ASN 45 1HD2 ASN 45 -8.552 8.332 -4.624 386 2HD2 ASN 45 2HD2 ASN 45 -7.072 7.849 -5.391 387 H ALA 46 H ALA 46 -7.616 12.100 -1.192 388 HA ALA 46 HA ALA 46 -8.468 12.155 1.539 389 1HB ALA 46 1HB ALA 46 -9.140 14.456 1.068 390 2HB ALA 46 2HB ALA 46 -8.876 14.185 -0.654 391 3HB ALA 46 3HB ALA 46 -7.516 14.127 0.467 392 H ASP 47 H ASP 47 -9.930 10.933 -1.195 393 HA ASP 47 HA ASP 47 -12.630 11.630 -0.360 394 1HB ASP 47 2HB ASP 47 -13.010 10.048 -2.515 395 2HB ASP 47 1HB ASP 47 -12.760 11.787 -2.622 396 H GLY 48 H GLY 48 -10.350 9.107 -0.091 397 1HA GLY 48 2HA GLY 48 -10.870 7.419 1.616 398 2HA GLY 48 1HA GLY 48 -12.470 7.307 0.900 399 H SER 49 H SER 49 -10.120 7.668 -1.483 400 HA SER 49 HA SER 49 -10.420 4.889 -2.254 401 1HB SER 49 2HB SER 49 -10.070 7.349 -3.631 402 2HB SER 49 1HB SER 49 -8.735 6.292 -4.054 403 HG SER 49 HG SER 49 -11.500 5.712 -4.265 404 H VAL 50 H VAL 50 -8.578 3.605 -2.942 405 HA VAL 50 HA VAL 50 -5.972 4.373 -1.902 406 HB VAL 50 HB VAL 50 -6.913 1.679 -1.041 407 1HG1 VAL 50 1HG1 VAL 50 -4.947 3.724 -0.047 408 2HG1 VAL 50 2HG1 VAL 50 -4.626 2.110 -0.682 409 3HG1 VAL 50 3HG1 VAL 50 -5.394 2.302 0.893 410 1HG2 VAL 50 1HG2 VAL 50 -8.700 3.235 -0.309 411 2HG2 VAL 50 2HG2 VAL 50 -7.485 4.177 0.553 412 3HG2 VAL 50 3HG2 VAL 50 -7.817 2.514 1.036 413 H TYR 51 H TYR 51 -4.897 4.146 -3.781 414 HA TYR 51 HA TYR 51 -5.311 1.695 -5.342 415 1HB TYR 51 2HB TYR 51 -4.203 2.853 -7.180 416 2HB TYR 51 1HB TYR 51 -5.530 3.827 -6.559 417 HD1 TYR 51 1HD TYR 51 -1.840 3.452 -6.501 418 HD2 TYR 51 2HD TYR 51 -5.157 6.015 -5.771 419 HE1 TYR 51 1HE TYR 51 -0.303 5.350 -6.215 420 HE2 TYR 51 2HE TYR 51 -3.629 7.920 -5.485 421 HH TYR 51 HH TYR 51 -0.392 7.620 -4.969 422 H ALA 52 H ALA 52 -3.005 1.345 -6.649 423 HA ALA 52 HA ALA 52 -0.903 1.171 -4.604 424 1HB ALA 52 1HB ALA 52 -1.539 -1.004 -4.431 425 2HB ALA 52 2HB ALA 52 -0.458 -1.153 -5.816 426 3HB ALA 52 3HB ALA 52 -2.201 -1.058 -6.066 427 H GLU 53 H GLU 53 1.223 1.139 -5.384 428 HA GLU 53 HA GLU 53 1.607 1.484 -8.264 429 1HB GLU 53 2HB GLU 53 3.064 3.447 -7.875 430 2HB GLU 53 1HB GLU 53 1.389 3.748 -7.431 431 1HG GLU 53 2HG GLU 53 1.883 3.582 -5.118 432 2HG GLU 53 1HG GLU 53 3.500 2.964 -5.443 433 H GLU 54 H GLU 54 4.107 1.741 -8.661 434 HA GLU 54 HA GLU 54 5.525 -0.140 -6.893 435 1HB GLU 54 2HB GLU 54 4.683 -0.892 -9.314 436 2HB GLU 54 1HB GLU 54 6.186 -0.113 -9.795 437 1HG GLU 54 2HG GLU 54 7.343 -1.561 -8.090 438 2HG GLU 54 1HG GLU 54 5.826 -2.448 -7.940 439 H VAL 55 H VAL 55 7.750 0.171 -6.653 440 HA VAL 55 HA VAL 55 8.809 2.692 -7.749 441 HB VAL 55 HB VAL 55 9.407 1.647 -4.979 442 1HG1 VAL 55 1HG1 VAL 55 10.893 3.323 -6.483 443 2HG1 VAL 55 2HG1 VAL 55 10.818 3.386 -4.722 444 3HG1 VAL 55 3HG1 VAL 55 9.822 4.476 -5.685 445 1HG2 VAL 55 1HG2 VAL 55 7.431 3.731 -5.887 446 2HG2 VAL 55 2HG2 VAL 55 8.015 3.604 -4.228 447 3HG2 VAL 55 3HG2 VAL 55 7.114 2.272 -4.949 448 H LYS 56 H LYS 56 9.785 1.350 -9.387 449 HA LYS 56 HA LYS 56 12.334 0.237 -8.483 450 1HB LYS 56 2HB LYS 56 12.076 -1.722 -9.964 451 2HB LYS 56 1HB LYS 56 10.886 -1.701 -8.667 452 1HG LYS 56 2HG LYS 56 9.335 -2.013 -10.219 453 2HG LYS 56 1HG LYS 56 9.647 -0.363 -10.760 454 1HD LYS 56 2HD LYS 56 11.606 -1.517 -12.083 455 2HD LYS 56 1HD LYS 56 10.597 -2.952 -11.896 456 1HE LYS 56 2HE LYS 56 9.214 -0.509 -12.797 457 2HE LYS 56 1HE LYS 56 10.368 -1.199 -13.936 458 1HZ LYS 56 1HZ LYS 56 8.606 -2.444 -14.511 459 2HZ LYS 56 2HZ LYS 56 7.814 -2.236 -13.032 460 3HZ LYS 56 3HZ LYS 56 9.049 -3.383 -13.175 461 HA PRO 57 HA PRO 57 13.066 3.023 -12.032 462 1HB PRO 57 2HB PRO 57 15.649 3.563 -11.375 463 2HB PRO 57 1HB PRO 57 14.274 4.409 -10.654 464 1HG PRO 57 2HG PRO 57 15.885 2.134 -9.562 465 2HG PRO 57 1HG PRO 57 15.303 3.592 -8.735 466 1HD PRO 57 2HD PRO 57 14.063 1.202 -8.498 467 2HD PRO 57 1HD PRO 57 13.177 2.739 -8.458 468 H ASP 58 H ASP 58 14.927 3.032 -13.656 469 HA ASP 58 HA ASP 58 16.468 0.620 -13.903 470 1HB ASP 58 2HB ASP 58 14.076 0.061 -14.690 471 2HB ASP 58 1HB ASP 58 14.442 1.087 -16.082 472 HA PRO 59 HA PRO 59 18.226 4.367 -15.986 473 1HB PRO 59 2HB PRO 59 20.730 4.068 -14.992 474 2HB PRO 59 1HB PRO 59 19.444 4.901 -14.110 475 1HG PRO 59 2HG PRO 59 20.438 2.094 -13.803 476 2HG PRO 59 1HG PRO 59 20.024 3.277 -12.548 477 1HD PRO 59 2HD PRO 59 18.345 1.283 -13.289 478 2HD PRO 59 1HD PRO 59 17.765 2.864 -12.727 479 H SER 60 H SER 60 17.916 3.143 -17.952 480 HA SER 60 HA SER 60 20.431 2.100 -18.972 481 1HB SER 60 2HB SER 60 18.905 0.205 -20.064 482 2HB SER 60 1HB SER 60 19.669 -0.014 -18.489 483 HG SER 60 HG SER 60 17.294 -0.450 -18.740 484 H ASN 61 H ASN 61 20.247 4.167 -20.078 485 HA ASN 61 HA ASN 61 18.488 3.979 -22.435 486 1HB ASN 61 2HB ASN 61 19.121 6.366 -20.712 487 2HB ASN 61 1HB ASN 61 18.587 6.556 -22.381 488 1HD2 ASN 61 1HD2 ASN 61 17.695 4.739 -19.464 489 2HD2 ASN 61 2HD2 ASN 61 15.986 4.988 -19.628 490 H LYS 62 H LYS 62 19.401 4.368 -24.391 491 HA LYS 62 HA LYS 62 22.193 5.292 -24.441 492 1HB LYS 62 2HB LYS 62 21.582 2.689 -24.799 493 2HB LYS 62 1HB LYS 62 21.406 3.264 -26.452 494 1HG LYS 62 2HG LYS 62 23.644 3.866 -26.614 495 2HG LYS 62 1HG LYS 62 23.860 3.900 -24.862 496 1HD LYS 62 2HD LYS 62 23.641 1.477 -24.772 497 2HD LYS 62 1HD LYS 62 23.363 1.424 -26.516 498 1HE LYS 62 2HE LYS 62 25.554 1.864 -27.017 499 2HE LYS 62 1HE LYS 62 25.834 2.745 -25.516 500 1HZ LYS 62 1HZ LYS 62 25.371 0.312 -24.565 501 2HZ LYS 62 2HZ LYS 62 26.916 0.862 -24.980 502 3HZ LYS 62 3HZ LYS 62 26.045 -0.101 -26.062 503 H LYS 63 H LYS 63 19.729 4.287 -26.817 504 HA LYS 63 HA LYS 63 20.222 6.807 -28.253 505 1HB LYS 63 2HB LYS 63 19.519 4.047 -29.136 506 2HB LYS 63 1HB LYS 63 18.925 5.396 -30.095 507 1HG LYS 63 2HG LYS 63 21.041 6.050 -30.734 508 2HG LYS 63 1HG LYS 63 21.812 5.268 -29.352 509 1HD LYS 63 2HD LYS 63 20.406 3.672 -31.470 510 2HD LYS 63 1HD LYS 63 22.085 4.183 -31.666 511 1HE LYS 63 2HE LYS 63 22.459 3.131 -29.353 512 2HE LYS 63 1HE LYS 63 20.905 2.341 -29.611 513 1HZ LYS 63 1HZ LYS 63 22.204 0.779 -30.547 514 2HZ LYS 63 2HZ LYS 63 23.469 1.849 -30.883 515 3HZ LYS 63 3HZ LYS 63 22.123 1.784 -31.905 516 H THR 64 H THR 64 18.535 8.119 -28.863 517 HA THR 64 HA THR 64 15.970 7.554 -27.547 518 HB THR 64 HB THR 64 16.912 9.598 -26.754 519 HG1 THR 64 1HG THR 64 14.644 9.613 -27.434 520 1HG2 THR 64 1HG2 THR 64 18.482 10.490 -28.094 521 2HG2 THR 64 2HG2 THR 64 17.119 11.458 -28.660 522 3HG2 THR 64 3HG2 THR 64 17.635 10.039 -29.574 523 H THR 65 H THR 65 14.312 6.978 -28.774 524 HA THR 65 HA THR 65 14.302 7.806 -31.603 525 HB THR 65 HB THR 65 13.015 5.717 -32.050 526 HG1 THR 65 1HG THR 65 13.741 5.054 -29.392 527 1HG2 THR 65 1HG2 THR 65 15.403 4.629 -30.746 528 2HG2 THR 65 2HG2 THR 65 15.695 5.942 -31.887 529 3HG2 THR 65 3HG2 THR 65 14.848 4.486 -32.413 530 H ALA 66 H ALA 66 13.161 9.227 -29.333 531 HA ALA 66 HA ALA 66 10.652 9.887 -30.424 532 1HB ALA 66 1HB ALA 66 10.663 7.841 -28.293 533 2HB ALA 66 2HB ALA 66 9.501 8.127 -29.588 534 3HB ALA 66 3HB ALA 66 9.472 9.133 -28.140 Start of MODEL 10 1 1H MET 1 1HT MET 1 2.123 12.712 6.680 2 2H MET 1 2HT MET 1 2.714 14.154 7.401 3 3H MET 1 3HT MET 1 3.806 12.913 6.936 4 HA MET 1 HA MET 1 2.262 14.752 5.258 5 1HB MET 1 2HB MET 1 5.152 14.032 5.694 6 2HB MET 1 1HB MET 1 4.632 14.880 4.244 7 1HG MET 1 2HG MET 1 5.267 16.613 5.604 8 2HG MET 1 1HG MET 1 3.533 16.531 5.912 9 1HE MET 1 1HE MET 1 6.929 16.842 7.989 10 2HE MET 1 2HE MET 1 5.754 17.539 9.106 11 3HE MET 1 3HE MET 1 5.704 17.965 7.395 12 H GLU 2 H GLU 2 4.409 11.909 5.041 13 HA GLU 2 HA GLU 2 3.669 11.338 2.348 14 1HB GLU 2 2HB GLU 2 5.849 10.700 3.388 15 2HB GLU 2 1HB GLU 2 4.993 9.506 4.354 16 1HG GLU 2 2HG GLU 2 4.417 8.238 2.440 17 2HG GLU 2 1HG GLU 2 4.943 9.521 1.351 18 H GLN 3 H GLN 3 1.943 10.286 1.617 19 HA GLN 3 HA GLN 3 0.390 8.666 3.524 20 1HB GLN 3 2HB GLN 3 -0.544 10.863 2.363 21 2HB GLN 3 1HB GLN 3 -0.860 9.747 1.042 22 1HG GLN 3 2HG GLN 3 -2.549 8.740 2.120 23 2HG GLN 3 1HG GLN 3 -1.738 8.820 3.683 24 1HE2 GLN 3 1HE2 GLN 3 -4.397 9.293 3.544 25 2HE2 GLN 3 2HE2 GLN 3 -4.723 10.976 3.821 26 H ARG 4 H ARG 4 2.574 7.624 2.075 27 HA ARG 4 HA ARG 4 1.186 5.752 0.271 28 1HB ARG 4 2HB ARG 4 3.692 5.514 -0.628 29 2HB ARG 4 1HB ARG 4 2.559 6.686 -1.285 30 1HG ARG 4 2HG ARG 4 3.561 8.284 0.491 31 2HG ARG 4 1HG ARG 4 4.890 7.123 0.533 32 1HD ARG 4 2HD ARG 4 4.607 7.429 -2.129 33 2HD ARG 4 1HD ARG 4 4.080 9.019 -1.581 34 HE ARG 4 HE ARG 4 6.391 8.639 -0.231 35 1HH1 ARG 4 1HH1 ARG 4 5.537 8.406 -3.607 36 2HH1 ARG 4 2HH1 ARG 4 7.110 8.861 -4.165 37 1HH2 ARG 4 1HH2 ARG 4 8.462 9.239 -0.963 38 2HH2 ARG 4 2HH2 ARG 4 8.771 9.335 -2.665 39 H ILE 5 H ILE 5 0.810 4.494 2.203 40 HA ILE 5 HA ILE 5 3.029 3.397 3.649 41 HB ILE 5 HB ILE 5 0.193 2.382 3.662 42 1HG1 ILE 5 2HG1 ILE 5 1.138 4.333 5.686 43 2HG1 ILE 5 1HG1 ILE 5 0.747 4.948 4.096 44 1HG2 ILE 5 1HG2 ILE 5 1.423 0.871 4.886 45 2HG2 ILE 5 2HG2 ILE 5 0.957 2.021 6.140 46 3HG2 ILE 5 3HG2 ILE 5 2.574 2.088 5.438 47 1HD1 ILE 5 1HD1 ILE 5 -1.399 4.953 4.613 48 2HD1 ILE 5 2HD1 ILE 5 -1.003 4.350 6.222 49 3HD1 ILE 5 3HD1 ILE 5 -1.344 3.217 4.914 50 H THR 6 H THR 6 3.345 1.100 3.878 51 HA THR 6 HA THR 6 3.617 -0.163 1.302 52 HB THR 6 HB THR 6 4.769 -1.954 2.566 53 HG1 THR 6 1HG THR 6 4.266 -0.367 4.855 54 1HG2 THR 6 1HG2 THR 6 6.588 -0.580 3.577 55 2HG2 THR 6 2HG2 THR 6 5.618 0.850 3.225 56 3HG2 THR 6 3HG2 THR 6 6.189 -0.174 1.908 57 H LEU 7 H LEU 7 2.672 -2.072 0.609 58 HA LEU 7 HA LEU 7 0.001 -2.510 1.245 59 1HB LEU 7 2HB LEU 7 1.125 -3.231 -0.846 60 2HB LEU 7 1HB LEU 7 1.932 -4.501 0.054 61 HG LEU 7 HG LEU 7 -0.600 -5.114 0.672 62 1HD1 LEU 7 1HD1 LEU 7 -0.750 -3.795 -2.032 63 2HD1 LEU 7 2HD1 LEU 7 -1.611 -3.314 -0.569 64 3HD1 LEU 7 3HD1 LEU 7 -1.990 -4.849 -1.353 65 1HD2 LEU 7 1HD2 LEU 7 1.153 -6.540 -0.389 66 2HD2 LEU 7 2HD2 LEU 7 0.657 -5.893 -1.953 67 3HD2 LEU 7 3HD2 LEU 7 -0.480 -6.832 -0.987 68 H LYS 8 H LYS 8 2.906 -4.106 2.457 69 HA LYS 8 HA LYS 8 1.656 -6.170 3.886 70 1HB LYS 8 2HB LYS 8 4.065 -6.129 3.413 71 2HB LYS 8 1HB LYS 8 4.257 -4.752 4.490 72 1HG LYS 8 2HG LYS 8 3.063 -6.518 6.150 73 2HG LYS 8 1HG LYS 8 3.970 -7.609 5.102 74 1HD LYS 8 2HD LYS 8 5.495 -5.269 5.972 75 2HD LYS 8 1HD LYS 8 4.975 -6.312 7.297 76 1HE LYS 8 2HE LYS 8 6.833 -7.477 6.812 77 2HE LYS 8 1HE LYS 8 5.861 -8.144 5.501 78 1HZ LYS 8 1HZ LYS 8 7.630 -7.435 4.309 79 2HZ LYS 8 2HZ LYS 8 8.037 -6.207 5.398 80 3HZ LYS 8 3HZ LYS 8 6.765 -5.981 4.308 81 H ASP 9 H ASP 9 2.559 -2.883 4.845 82 HA ASP 9 HA ASP 9 1.725 -3.150 7.548 83 1HB ASP 9 2HB ASP 9 2.185 -0.713 5.818 84 2HB ASP 9 1HB ASP 9 1.821 -0.636 7.539 85 H TYR 10 H TYR 10 0.152 -2.060 4.594 86 HA TYR 10 HA TYR 10 -2.172 -1.007 5.798 87 1HB TYR 10 2HB TYR 10 -1.372 -0.639 3.415 88 2HB TYR 10 1HB TYR 10 -2.027 -2.230 3.044 89 HD1 TYR 10 1HD TYR 10 -4.541 -2.587 3.705 90 HD2 TYR 10 2HD TYR 10 -2.725 1.222 3.166 91 HE1 TYR 10 1HE TYR 10 -6.757 -1.590 3.332 92 HE2 TYR 10 2HE TYR 10 -4.936 2.230 2.792 93 HH TYR 10 HH TYR 10 -7.740 0.879 3.637 94 H ALA 11 H ALA 11 -1.333 -4.227 4.626 95 HA ALA 11 HA ALA 11 -3.933 -5.332 5.027 96 1HB ALA 11 1HB ALA 11 -1.446 -6.991 4.978 97 2HB ALA 11 2HB ALA 11 -2.001 -6.174 3.517 98 3HB ALA 11 3HB ALA 11 -3.043 -7.350 4.320 99 H MET 12 H MET 12 -1.041 -5.031 6.984 100 HA MET 12 HA MET 12 -2.076 -6.731 9.062 101 1HB MET 12 2HB MET 12 0.484 -5.570 8.375 102 2HB MET 12 1HB MET 12 0.122 -5.345 10.080 103 1HG MET 12 2HG MET 12 -0.431 -7.847 10.089 104 2HG MET 12 1HG MET 12 0.416 -7.895 8.544 105 1HE MET 12 1HE MET 12 2.950 -5.369 9.971 106 2HE MET 12 2HE MET 12 2.410 -6.114 8.466 107 3HE MET 12 3HE MET 12 3.871 -6.695 9.264 108 H ARG 13 H ARG 13 -2.000 -3.376 8.287 109 HA ARG 13 HA ARG 13 -2.726 -2.549 10.978 110 1HB ARG 13 2HB ARG 13 -1.165 -1.215 9.531 111 2HB ARG 13 1HB ARG 13 -2.539 -0.851 8.487 112 1HG ARG 13 2HG ARG 13 -3.321 0.717 9.871 113 2HG ARG 13 1HG ARG 13 -3.030 -0.272 11.308 114 1HD ARG 13 2HD ARG 13 -1.025 0.671 11.701 115 2HD ARG 13 1HD ARG 13 -0.607 0.737 9.989 116 HE ARG 13 HE ARG 13 -2.617 2.636 10.605 117 1HH1 ARG 13 1HH1 ARG 13 0.804 2.043 10.955 118 2HH1 ARG 13 2HH1 ARG 13 1.216 3.725 11.013 119 1HH2 ARG 13 1HH2 ARG 13 -2.078 4.847 10.683 120 2HH2 ARG 13 2HH2 ARG 13 -0.419 5.316 10.862 121 H PHE 14 H PHE 14 -4.129 -1.726 7.806 122 HA PHE 14 HA PHE 14 -6.716 -1.354 8.965 123 1HB PHE 14 2HB PHE 14 -5.824 -1.325 6.080 124 2HB PHE 14 1HB PHE 14 -7.344 -0.713 6.705 125 HD1 PHE 14 1HD PHE 14 -7.376 1.306 8.126 126 HD2 PHE 14 2HD PHE 14 -3.819 -0.048 6.261 127 HE1 PHE 14 1HE PHE 14 -6.347 3.484 8.523 128 HE2 PHE 14 2HE PHE 14 -2.777 2.121 6.657 129 HZ PHE 14 HZ PHE 14 -4.052 3.873 7.783 130 H GLY 15 H GLY 15 -5.079 -3.843 7.121 131 1HA GLY 15 2HA GLY 15 -5.977 -6.123 7.523 132 2HA GLY 15 1HA GLY 15 -7.564 -5.442 7.208 133 H GLN 16 H GLN 16 -5.960 -7.620 5.892 134 HA GLN 16 HA GLN 16 -5.175 -6.740 3.322 135 1HB GLN 16 2HB GLN 16 -5.285 -9.141 2.710 136 2HB GLN 16 1HB GLN 16 -4.376 -8.851 4.186 137 1HG GLN 16 2HG GLN 16 -7.237 -9.433 4.544 138 2HG GLN 16 1HG GLN 16 -6.254 -10.755 3.919 139 1HE2 GLN 16 1HE2 GLN 16 -4.501 -11.514 5.173 140 2HE2 GLN 16 2HE2 GLN 16 -4.468 -11.274 6.892 141 H THR 17 H THR 17 -8.239 -7.713 4.688 142 HA THR 17 HA THR 17 -9.614 -8.060 2.224 143 HB THR 17 HB THR 17 -10.700 -7.428 4.973 144 HG1 THR 17 1HG THR 17 -10.980 -9.669 5.104 145 1HG2 THR 17 1HG2 THR 17 -12.780 -8.393 4.237 146 2HG2 THR 17 2HG2 THR 17 -12.110 -8.684 2.631 147 3HG2 THR 17 3HG2 THR 17 -12.350 -7.033 3.200 148 H LYS 18 H LYS 18 -9.414 -5.375 4.541 149 HA LYS 18 HA LYS 18 -11.140 -3.615 3.231 150 1HB LYS 18 2HB LYS 18 -10.000 -3.456 5.566 151 2HB LYS 18 1HB LYS 18 -8.710 -2.647 4.696 152 1HG LYS 18 2HG LYS 18 -10.170 -0.898 3.994 153 2HG LYS 18 1HG LYS 18 -11.580 -1.760 4.612 154 1HD LYS 18 2HD LYS 18 -11.090 -1.271 6.803 155 2HD LYS 18 1HD LYS 18 -9.360 -1.111 6.489 156 1HE LYS 18 2HE LYS 18 -9.789 1.092 6.663 157 2HE LYS 18 1HE LYS 18 -10.320 0.920 4.992 158 1HZ LYS 18 1HZ LYS 18 -12.080 0.753 7.378 159 2HZ LYS 18 2HZ LYS 18 -12.580 0.653 5.764 160 3HZ LYS 18 3HZ LYS 18 -11.940 2.099 6.362 161 H THR 19 H THR 19 -7.805 -4.426 2.622 162 HA THR 19 HA THR 19 -7.213 -2.216 0.937 163 HB THR 19 HB THR 19 -5.819 -4.813 0.535 164 HG1 THR 19 1HG THR 19 -4.763 -4.634 2.494 165 1HG2 THR 19 1HG2 THR 19 -4.675 -3.148 -0.544 166 2HG2 THR 19 2HG2 THR 19 -3.851 -3.183 1.014 167 3HG2 THR 19 3HG2 THR 19 -5.056 -1.939 0.682 168 H ALA 20 H ALA 20 -8.086 -5.598 0.247 169 HA ALA 20 HA ALA 20 -8.090 -5.417 -2.538 170 1HB ALA 20 1HB ALA 20 -9.907 -7.314 -2.220 171 2HB ALA 20 2HB ALA 20 -9.336 -7.241 -0.553 172 3HB ALA 20 3HB ALA 20 -8.203 -7.591 -1.861 173 H LYS 21 H LYS 21 -10.500 -4.488 -0.181 174 HA LYS 21 HA LYS 21 -12.590 -4.113 -2.111 175 1HB LYS 21 2HB LYS 21 -12.520 -4.392 0.620 176 2HB LYS 21 1HB LYS 21 -12.850 -2.675 0.436 177 1HG LYS 21 2HG LYS 21 -14.450 -4.574 -1.183 178 2HG LYS 21 1HG LYS 21 -14.780 -4.464 0.547 179 1HD LYS 21 2HD LYS 21 -15.560 -2.320 0.405 180 2HD LYS 21 1HD LYS 21 -14.530 -1.929 -0.981 181 1HE LYS 21 2HE LYS 21 -15.990 -3.389 -2.380 182 2HE LYS 21 1HE LYS 21 -17.050 -3.585 -0.990 183 1HZ LYS 21 1HZ LYS 21 -16.490 -1.120 -2.525 184 2HZ LYS 21 2HZ LYS 21 -17.190 -1.074 -0.989 185 3HZ LYS 21 3HZ LYS 21 -17.980 -1.870 -2.257 186 H ASP 22 H ASP 22 -10.230 -2.069 -0.478 187 HA ASP 22 HA ASP 22 -11.300 0.382 -1.511 188 1HB ASP 22 2HB ASP 22 -9.073 -0.441 0.215 189 2HB ASP 22 1HB ASP 22 -8.722 0.966 -0.790 190 H LEU 23 H LEU 23 -8.676 -1.803 -2.395 191 HA LEU 23 HA LEU 23 -7.761 -0.117 -4.543 192 1HB LEU 23 2HB LEU 23 -6.906 -2.577 -3.239 193 2HB LEU 23 1HB LEU 23 -6.713 -2.645 -4.980 194 HG LEU 23 HG LEU 23 -5.716 -0.131 -4.017 195 1HD1 LEU 23 1HD1 LEU 23 -3.811 -1.015 -2.705 196 2HD1 LEU 23 2HD1 LEU 23 -4.622 -2.580 -2.650 197 3HD1 LEU 23 3HD1 LEU 23 -5.365 -1.176 -1.887 198 1HD2 LEU 23 1HD2 LEU 23 -4.295 -2.508 -5.209 199 2HD2 LEU 23 2HD2 LEU 23 -3.706 -0.847 -5.155 200 3HD2 LEU 23 3HD2 LEU 23 -5.120 -1.249 -6.129 201 H GLY 24 H GLY 24 -9.862 -2.903 -4.177 202 1HA GLY 24 2HA GLY 24 -11.610 -3.407 -5.674 203 2HA GLY 24 1HA GLY 24 -10.780 -2.502 -6.926 204 H VAL 25 H VAL 25 -9.274 -4.943 -4.905 205 HA VAL 25 HA VAL 25 -9.079 -6.693 -7.270 206 HB VAL 25 HB VAL 25 -6.879 -7.465 -6.277 207 1HG1 VAL 25 1HG1 VAL 25 -7.417 -5.554 -8.098 208 2HG1 VAL 25 2HG1 VAL 25 -5.786 -6.065 -7.666 209 3HG1 VAL 25 3HG1 VAL 25 -6.479 -4.621 -6.929 210 1HG2 VAL 25 1HG2 VAL 25 -7.225 -6.542 -4.029 211 2HG2 VAL 25 2HG2 VAL 25 -7.154 -4.911 -4.696 212 3HG2 VAL 25 3HG2 VAL 25 -5.732 -5.950 -4.758 213 H GLN 26 H GLN 26 -8.163 -8.961 -6.389 214 HA GLN 26 HA GLN 26 -10.190 -9.869 -4.504 215 1HB GLN 26 2HB GLN 26 -8.263 -11.498 -6.171 216 2HB GLN 26 1HB GLN 26 -9.646 -12.110 -5.273 217 1HG GLN 26 2HG GLN 26 -10.420 -12.034 -7.442 218 2HG GLN 26 1HG GLN 26 -11.030 -10.527 -6.757 219 1HE2 GLN 26 1HE2 GLN 26 -11.200 -9.764 -8.928 220 2HE2 GLN 26 2HE2 GLN 26 -9.810 -9.169 -9.757 221 H GLN 27 H GLN 27 -9.756 -10.818 -2.572 222 HA GLN 27 HA GLN 27 -7.502 -10.076 -1.139 223 1HB GLN 27 2HB GLN 27 -9.283 -12.451 -0.581 224 2HB GLN 27 1HB GLN 27 -8.249 -11.632 0.582 225 1HG GLN 27 2HG GLN 27 -9.584 -9.598 0.330 226 2HG GLN 27 1HG GLN 27 -10.620 -10.433 -0.821 227 1HE2 GLN 27 1HE2 GLN 27 -12.470 -10.969 0.060 228 2HE2 GLN 27 2HE2 GLN 27 -12.720 -11.534 1.674 229 H SER 28 H SER 28 -7.957 -12.737 -3.274 230 HA SER 28 HA SER 28 -5.939 -14.451 -2.306 231 1HB SER 28 2HB SER 28 -7.260 -14.148 -4.999 232 2HB SER 28 1HB SER 28 -5.990 -15.338 -4.716 233 HG SER 28 HG SER 28 -7.346 -16.521 -3.619 234 H ALA 29 H ALA 29 -5.916 -12.051 -4.935 235 HA ALA 29 HA ALA 29 -3.235 -12.355 -5.668 236 1HB ALA 29 1HB ALA 29 -3.610 -10.650 -7.100 237 2HB ALA 29 2HB ALA 29 -4.358 -9.636 -5.867 238 3HB ALA 29 3HB ALA 29 -5.291 -10.917 -6.641 239 H ILE 30 H ILE 30 -4.730 -10.449 -3.125 240 HA ILE 30 HA ILE 30 -2.542 -8.818 -2.475 241 HB ILE 30 HB ILE 30 -4.587 -9.875 -0.523 242 1HG1 ILE 30 2HG1 ILE 30 -5.772 -8.950 -2.423 243 2HG1 ILE 30 1HG1 ILE 30 -5.879 -7.820 -1.078 244 1HG2 ILE 30 1HG2 ILE 30 -4.076 -8.033 0.826 245 2HG2 ILE 30 2HG2 ILE 30 -3.223 -7.204 -0.477 246 3HG2 ILE 30 3HG2 ILE 30 -2.508 -8.627 0.279 247 1HD1 ILE 30 1HD1 ILE 30 -3.776 -6.756 -2.230 248 2HD1 ILE 30 2HD1 ILE 30 -5.409 -6.396 -2.790 249 3HD1 ILE 30 3HD1 ILE 30 -4.421 -7.575 -3.651 250 H ASN 31 H ASN 31 -3.569 -11.934 -1.095 251 HA ASN 31 HA ASN 31 -1.451 -12.194 0.727 252 1HB ASN 31 2HB ASN 31 -3.685 -13.737 -0.095 253 2HB ASN 31 1HB ASN 31 -2.268 -14.778 -0.206 254 1HD2 ASN 31 1HD2 ASN 31 -1.073 -15.221 1.657 255 2HD2 ASN 31 2HD2 ASN 31 -1.740 -14.986 3.242 256 H LYS 32 H LYS 32 -1.703 -12.923 -2.681 257 HA LYS 32 HA LYS 32 0.678 -14.476 -2.818 258 1HB LYS 32 2HB LYS 32 -0.840 -13.069 -5.015 259 2HB LYS 32 1HB LYS 32 0.422 -14.270 -5.255 260 1HG LYS 32 2HG LYS 32 -2.039 -14.911 -3.675 261 2HG LYS 32 1HG LYS 32 -2.025 -15.012 -5.437 262 1HD LYS 32 2HD LYS 32 0.238 -16.365 -4.845 263 2HD LYS 32 1HD LYS 32 -0.742 -16.742 -3.427 264 1HE LYS 32 2HE LYS 32 -2.594 -17.319 -5.098 265 2HE LYS 32 1HE LYS 32 -1.320 -17.316 -6.316 266 1HZ LYS 32 1HZ LYS 32 -0.220 -18.868 -4.462 267 2HZ LYS 32 2HZ LYS 32 -1.172 -19.467 -5.726 268 3HZ LYS 32 3HZ LYS 32 -1.853 -19.227 -4.197 269 H TRP 33 H TRP 33 -0.057 -11.097 -2.965 270 HA TRP 33 HA TRP 33 2.273 -10.218 -4.285 271 1HB TRP 33 2HB TRP 33 0.260 -8.945 -2.479 272 2HB TRP 33 1HB TRP 33 1.608 -8.029 -3.134 273 HD1 TRP 33 HD TRP 33 1.016 -10.098 -5.839 274 HE1 TRP 33 1HE TRP 33 -0.682 -9.153 -7.539 275 HE3 TRP 33 3HE TRP 33 -1.161 -6.630 -2.870 276 HZ2 TRP 33 2HZ TRP 33 -2.700 -7.175 -7.579 277 HZ3 TRP 33 3HZ TRP 33 -2.980 -5.234 -3.785 278 HH2 TRP 33 HH TRP 33 -3.734 -5.506 -6.095 279 H ILE 34 H ILE 34 1.412 -10.409 -0.835 280 HA ILE 34 HA ILE 34 4.040 -9.579 0.003 281 HB ILE 34 HB ILE 34 1.886 -10.799 1.725 282 1HG1 ILE 34 2HG1 ILE 34 2.055 -7.923 1.902 283 2HG1 ILE 34 1HG1 ILE 34 1.726 -8.407 0.240 284 1HG2 ILE 34 1HG2 ILE 34 3.166 -8.990 3.262 285 2HG2 ILE 34 2HG2 ILE 34 4.482 -9.497 2.205 286 3HG2 ILE 34 3HG2 ILE 34 3.612 -10.693 3.167 287 1HD1 ILE 34 1HD1 ILE 34 0.067 -9.930 1.975 288 2HD1 ILE 34 2HD1 ILE 34 -0.392 -8.750 0.747 289 3HD1 ILE 34 3HD1 ILE 34 -0.070 -8.225 2.400 290 H HIS 35 H HIS 35 2.409 -12.572 -0.617 291 HA HIS 35 HA HIS 35 3.900 -14.332 0.947 292 1HB HIS 35 2HB HIS 35 2.140 -14.511 -1.384 293 2HB HIS 35 1HB HIS 35 3.362 -15.773 -1.336 294 HD1 HIS 35 1HD HIS 35 2.346 -14.752 2.017 295 HD2 HIS 35 2HD HIS 35 1.019 -17.435 -0.863 296 HE1 HIS 35 1HE HIS 35 0.830 -16.347 3.233 297 HE2 HIS 35 2HE HIS 35 -0.023 -17.916 1.456 298 H ALA 36 H ALA 36 4.634 -12.773 -2.062 299 HA ALA 36 HA ALA 36 7.137 -14.287 -2.283 300 1HB ALA 36 1HB ALA 36 6.146 -12.423 -4.397 301 2HB ALA 36 2HB ALA 36 5.430 -14.025 -4.216 302 3HB ALA 36 3HB ALA 36 7.154 -13.862 -4.554 303 H GLY 37 H GLY 37 5.897 -11.240 -1.375 304 1HA GLY 37 2HA GLY 37 7.229 -9.636 -0.241 305 2HA GLY 37 1HA GLY 37 8.636 -10.229 -1.112 306 H ARG 38 H ARG 38 5.457 -9.135 -2.272 307 HA ARG 38 HA ARG 38 6.725 -7.543 -4.315 308 1HB ARG 38 2HB ARG 38 4.566 -8.868 -4.589 309 2HB ARG 38 1HB ARG 38 3.785 -7.607 -3.646 310 1HG ARG 38 2HG ARG 38 3.793 -6.145 -5.351 311 2HG ARG 38 1HG ARG 38 5.384 -6.652 -5.917 312 1HD ARG 38 2HD ARG 38 4.397 -8.647 -6.922 313 2HD ARG 38 1HD ARG 38 2.806 -8.162 -6.336 314 HE ARG 38 HE ARG 38 3.586 -6.036 -7.808 315 1HH1 ARG 38 1HH1 ARG 38 3.434 -9.458 -8.473 316 2HH1 ARG 38 2HH1 ARG 38 3.139 -9.244 -10.166 317 1HH2 ARG 38 1HH2 ARG 38 3.199 -5.752 -10.034 318 2HH2 ARG 38 2HH2 ARG 38 3.007 -7.140 -11.052 319 H LYS 39 H LYS 39 7.760 -5.814 -3.428 320 HA LYS 39 HA LYS 39 6.675 -4.221 -1.338 321 1HB LYS 39 2HB LYS 39 8.523 -2.653 -1.900 322 2HB LYS 39 1HB LYS 39 9.062 -4.308 -1.646 323 1HG LYS 39 2HG LYS 39 8.618 -4.260 -4.340 324 2HG LYS 39 1HG LYS 39 9.211 -2.626 -4.026 325 1HD LYS 39 2HD LYS 39 11.200 -3.494 -2.986 326 2HD LYS 39 1HD LYS 39 10.588 -5.145 -3.099 327 1HE LYS 39 2HE LYS 39 10.779 -5.151 -5.459 328 2HE LYS 39 1HE LYS 39 11.041 -3.409 -5.513 329 1HZ LYS 39 1HZ LYS 39 13.048 -4.966 -5.756 330 2HZ LYS 39 2HZ LYS 39 12.930 -5.160 -4.080 331 3HZ LYS 39 3HZ LYS 39 13.193 -3.624 -4.734 332 H ILE 40 H ILE 40 5.033 -2.863 -1.501 333 HA ILE 40 HA ILE 40 4.809 -1.152 -3.864 334 HB ILE 40 HB ILE 40 2.353 -2.496 -2.769 335 1HG1 ILE 40 2HG1 ILE 40 3.995 -3.391 -5.149 336 2HG1 ILE 40 1HG1 ILE 40 3.875 -4.248 -3.616 337 1HG2 ILE 40 1HG2 ILE 40 1.580 -1.906 -5.141 338 2HG2 ILE 40 2HG2 ILE 40 3.008 -0.872 -5.200 339 3HG2 ILE 40 3HG2 ILE 40 1.765 -0.593 -3.979 340 1HD1 ILE 40 1HD1 ILE 40 1.955 -5.204 -4.192 341 2HD1 ILE 40 2HD1 ILE 40 2.313 -4.662 -5.832 342 3HD1 ILE 40 3HD1 ILE 40 1.281 -3.686 -4.786 343 H PHE 41 H PHE 41 3.246 0.641 -3.517 344 HA PHE 41 HA PHE 41 2.805 1.272 -0.691 345 1HB PHE 41 2HB PHE 41 4.118 3.121 -2.690 346 2HB PHE 41 1HB PHE 41 3.585 3.599 -1.081 347 HD1 PHE 41 1HD PHE 41 4.715 2.683 0.913 348 HD2 PHE 41 2HD PHE 41 6.147 1.939 -3.025 349 HE1 PHE 41 1HE PHE 41 6.890 1.995 1.836 350 HE2 PHE 41 2HE PHE 41 8.323 1.249 -2.108 351 HZ PHE 41 HZ PHE 41 8.697 1.277 0.327 352 H LEU 42 H LEU 42 0.717 1.710 -0.419 353 HA LEU 42 HA LEU 42 -0.858 2.588 -2.701 354 1HB LEU 42 2HB LEU 42 -2.738 2.318 -0.886 355 2HB LEU 42 1HB LEU 42 -2.076 0.935 -1.731 356 HG LEU 42 HG LEU 42 -2.421 0.632 0.718 357 1HD1 LEU 42 1HD1 LEU 42 0.309 0.074 0.832 358 2HD1 LEU 42 2HD1 LEU 42 -0.145 -0.070 -0.867 359 3HD1 LEU 42 3HD1 LEU 42 -0.996 -1.014 0.357 360 1HD2 LEU 42 1HD2 LEU 42 -0.859 1.616 2.276 361 2HD2 LEU 42 2HD2 LEU 42 -1.764 2.872 1.434 362 3HD2 LEU 42 3HD2 LEU 42 -0.100 2.525 0.973 363 H THR 43 H THR 43 -1.811 4.522 -2.904 364 HA THR 43 HA THR 43 -1.184 6.519 -0.850 365 HB THR 43 HB THR 43 -2.264 7.322 -3.503 366 HG1 THR 43 1HG THR 43 -0.093 7.161 -4.344 367 1HG2 THR 43 1HG2 THR 43 -0.336 8.975 -3.259 368 2HG2 THR 43 2HG2 THR 43 -0.224 8.400 -1.596 369 3HG2 THR 43 3HG2 THR 43 -1.713 9.150 -2.171 370 H ILE 44 H ILE 44 -2.759 6.959 0.522 371 HA ILE 44 HA ILE 44 -5.513 6.349 -0.123 372 HB ILE 44 HB ILE 44 -4.465 7.644 2.391 373 1HG1 ILE 44 2HG1 ILE 44 -4.858 4.699 1.812 374 2HG1 ILE 44 1HG1 ILE 44 -3.298 5.507 1.937 375 1HG2 ILE 44 1HG2 ILE 44 -7.017 7.419 1.608 376 2HG2 ILE 44 2HG2 ILE 44 -6.513 7.336 3.295 377 3HG2 ILE 44 3HG2 ILE 44 -6.811 5.852 2.391 378 1HD1 ILE 44 1HD1 ILE 44 -5.327 5.263 4.146 379 2HD1 ILE 44 2HD1 ILE 44 -3.743 6.029 4.267 380 3HD1 ILE 44 3HD1 ILE 44 -3.864 4.294 3.971 381 H ASN 45 H ASN 45 -6.669 7.744 -1.266 382 HA ASN 45 HA ASN 45 -6.034 10.553 -1.330 383 1HB ASN 45 2HB ASN 45 -8.383 9.095 -2.559 384 2HB ASN 45 1HB ASN 45 -7.845 10.725 -2.955 385 1HD2 ASN 45 1HD2 ASN 45 -7.099 7.323 -3.172 386 2HD2 ASN 45 2HD2 ASN 45 -5.939 7.461 -4.456 387 H ALA 46 H ALA 46 -7.951 12.136 -1.170 388 HA ALA 46 HA ALA 46 -9.070 11.827 1.489 389 1HB ALA 46 1HB ALA 46 -8.897 14.113 -0.446 390 2HB ALA 46 2HB ALA 46 -8.151 13.947 1.143 391 3HB ALA 46 3HB ALA 46 -9.891 14.204 1.009 392 H ASP 47 H ASP 47 -10.060 10.646 -1.318 393 HA ASP 47 HA ASP 47 -12.880 11.366 -0.978 394 1HB ASP 47 2HB ASP 47 -12.800 9.864 -3.264 395 2HB ASP 47 1HB ASP 47 -12.710 11.622 -3.215 396 H GLY 48 H GLY 48 -10.630 8.881 -0.404 397 1HA GLY 48 2HA GLY 48 -11.330 7.055 1.029 398 2HA GLY 48 1HA GLY 48 -12.850 7.012 0.138 399 H SER 49 H SER 49 -10.150 7.513 -1.858 400 HA SER 49 HA SER 49 -10.340 4.760 -2.817 401 1HB SER 49 2HB SER 49 -10.140 7.273 -4.106 402 2HB SER 49 1HB SER 49 -8.681 6.370 -4.480 403 HG SER 49 HG SER 49 -10.690 6.069 -5.829 404 H VAL 50 H VAL 50 -8.360 3.679 -3.524 405 HA VAL 50 HA VAL 50 -5.887 4.564 -2.269 406 HB VAL 50 HB VAL 50 -6.721 1.748 -1.693 407 1HG1 VAL 50 1HG1 VAL 50 -4.661 1.806 -0.847 408 2HG1 VAL 50 2HG1 VAL 50 -5.320 2.814 0.441 409 3HG1 VAL 50 3HG1 VAL 50 -4.577 3.563 -0.972 410 1HG2 VAL 50 1HG2 VAL 50 -7.410 4.091 0.080 411 2HG2 VAL 50 2HG2 VAL 50 -7.694 2.386 0.426 412 3HG2 VAL 50 3HG2 VAL 50 -8.570 3.176 -0.883 413 H TYR 51 H TYR 51 -4.399 4.371 -3.814 414 HA TYR 51 HA TYR 51 -4.561 2.040 -5.615 415 1HB TYR 51 2HB TYR 51 -3.696 3.397 -7.427 416 2HB TYR 51 1HB TYR 51 -5.134 4.164 -6.764 417 HD1 TYR 51 1HD TYR 51 -1.448 4.333 -6.910 418 HD2 TYR 51 2HD TYR 51 -5.032 6.329 -5.784 419 HE1 TYR 51 1HE TYR 51 -0.181 6.416 -6.593 420 HE2 TYR 51 2HE TYR 51 -3.775 8.419 -5.464 421 HH TYR 51 HH TYR 51 -1.687 9.444 -6.209 422 H ALA 52 H ALA 52 -2.799 0.803 -5.795 423 HA ALA 52 HA ALA 52 -0.476 1.496 -4.189 424 1HB ALA 52 1HB ALA 52 -0.357 -1.040 -5.614 425 2HB ALA 52 2HB ALA 52 -1.806 -0.866 -4.626 426 3HB ALA 52 3HB ALA 52 -0.213 -0.700 -3.890 427 H GLU 53 H GLU 53 1.348 2.279 -4.985 428 HA GLU 53 HA GLU 53 1.747 2.224 -7.895 429 1HB GLU 53 2HB GLU 53 2.342 4.184 -5.771 430 2HB GLU 53 1HB GLU 53 3.606 3.989 -6.977 431 1HG GLU 53 2HG GLU 53 1.903 4.403 -8.740 432 2HG GLU 53 1HG GLU 53 0.738 4.751 -7.464 433 H GLU 54 H GLU 54 3.519 1.296 -8.784 434 HA GLU 54 HA GLU 54 5.247 -0.219 -6.974 435 1HB GLU 54 2HB GLU 54 3.964 -1.130 -9.096 436 2HB GLU 54 1HB GLU 54 5.373 -0.509 -9.943 437 1HG GLU 54 2HG GLU 54 6.833 -1.942 -8.737 438 2HG GLU 54 1HG GLU 54 5.548 -2.415 -7.626 439 H VAL 55 H VAL 55 7.193 0.514 -6.485 440 HA VAL 55 HA VAL 55 8.471 2.456 -8.289 441 HB VAL 55 HB VAL 55 9.121 1.966 -5.380 442 1HG1 VAL 55 1HG1 VAL 55 9.909 4.156 -7.296 443 2HG1 VAL 55 2HG1 VAL 55 10.963 2.923 -6.606 444 3HG1 VAL 55 3HG1 VAL 55 10.251 4.156 -5.567 445 1HG2 VAL 55 1HG2 VAL 55 7.806 4.482 -6.115 446 2HG2 VAL 55 2HG2 VAL 55 7.551 3.430 -4.722 447 3HG2 VAL 55 3HG2 VAL 55 6.786 3.051 -6.264 448 H LYS 56 H LYS 56 9.713 1.288 -9.657 449 HA LYS 56 HA LYS 56 11.669 -0.556 -8.450 450 1HB LYS 56 2HB LYS 56 11.631 -1.650 -10.789 451 2HB LYS 56 1HB LYS 56 10.304 -1.987 -9.685 452 1HG LYS 56 2HG LYS 56 8.788 -0.978 -10.996 453 2HG LYS 56 1HG LYS 56 9.890 0.325 -11.445 454 1HD LYS 56 2HD LYS 56 10.618 -2.306 -12.519 455 2HD LYS 56 1HD LYS 56 9.075 -1.680 -13.105 456 1HE LYS 56 2HE LYS 56 10.328 -0.589 -14.611 457 2HE LYS 56 1HE LYS 56 10.662 0.523 -13.285 458 1HZ LYS 56 1HZ LYS 56 12.519 -1.332 -12.855 459 2HZ LYS 56 2HZ LYS 56 12.780 0.040 -13.809 460 3HZ LYS 56 3HZ LYS 56 12.395 -1.436 -14.540 461 HA PRO 57 HA PRO 57 14.066 2.753 -10.568 462 1HB PRO 57 2HB PRO 57 15.902 3.107 -8.637 463 2HB PRO 57 1HB PRO 57 14.299 3.846 -8.542 464 1HG PRO 57 2HG PRO 57 15.331 1.380 -7.196 465 2HG PRO 57 1HG PRO 57 14.322 2.678 -6.532 466 1HD PRO 57 2HD PRO 57 13.337 0.273 -7.396 467 2HD PRO 57 1HD PRO 57 12.394 1.775 -7.377 468 H ASP 58 H ASP 58 15.582 2.212 -12.012 469 HA ASP 58 HA ASP 58 17.803 0.518 -11.324 470 1HB ASP 58 2HB ASP 58 15.941 -1.097 -11.852 471 2HB ASP 58 1HB ASP 58 15.936 -0.449 -13.496 472 HA PRO 59 HA PRO 59 18.976 3.595 -14.471 473 1HB PRO 59 2HB PRO 59 21.569 3.772 -13.727 474 2HB PRO 59 1HB PRO 59 20.277 4.617 -12.865 475 1HG PRO 59 2HG PRO 59 21.646 2.046 -12.174 476 2HG PRO 59 1HG PRO 59 21.210 3.400 -11.115 477 1HD PRO 59 2HD PRO 59 19.733 1.127 -11.287 478 2HD PRO 59 1HD PRO 59 19.022 2.713 -10.930 479 H SER 60 H SER 60 18.533 1.268 -15.577 480 HA SER 60 HA SER 60 20.836 0.833 -17.251 481 1HB SER 60 2HB SER 60 21.021 -0.712 -15.164 482 2HB SER 60 1HB SER 60 19.731 -1.633 -15.937 483 HG SER 60 HG SER 60 21.477 -2.536 -16.798 484 H ASN 61 H ASN 61 18.099 1.782 -17.527 485 HA ASN 61 HA ASN 61 17.356 0.162 -19.799 486 1HB ASN 61 2HB ASN 61 16.051 -0.230 -17.287 487 2HB ASN 61 1HB ASN 61 14.906 0.525 -18.392 488 1HD2 ASN 61 1HD2 ASN 61 14.518 -0.512 -20.431 489 2HD2 ASN 61 2HD2 ASN 61 14.691 -2.235 -20.566 490 H LYS 62 H LYS 62 15.826 1.201 -21.188 491 HA LYS 62 HA LYS 62 15.103 3.952 -20.526 492 1HB LYS 62 2HB LYS 62 15.951 4.702 -22.781 493 2HB LYS 62 1HB LYS 62 17.193 4.317 -21.599 494 1HG LYS 62 2HG LYS 62 17.878 2.440 -22.720 495 2HG LYS 62 1HG LYS 62 16.309 2.196 -23.489 496 1HD LYS 62 2HD LYS 62 17.850 2.909 -25.173 497 2HD LYS 62 1HD LYS 62 16.749 4.249 -24.850 498 1HE LYS 62 2HE LYS 62 19.237 4.162 -23.255 499 2HE LYS 62 1HE LYS 62 19.414 4.527 -24.971 500 1HZ LYS 62 1HZ LYS 62 19.021 6.608 -24.259 501 2HZ LYS 62 2HZ LYS 62 18.223 6.114 -22.852 502 3HZ LYS 62 3HZ LYS 62 17.397 6.137 -24.329 503 H LYS 63 H LYS 63 13.510 1.618 -20.761 504 HA LYS 63 HA LYS 63 11.602 2.558 -22.700 505 1HB LYS 63 2HB LYS 63 13.344 0.307 -23.305 506 2HB LYS 63 1HB LYS 63 11.644 -0.144 -23.364 507 1HG LYS 63 2HG LYS 63 11.186 1.297 -25.107 508 2HG LYS 63 1HG LYS 63 12.580 2.322 -24.764 509 1HD LYS 63 2HD LYS 63 13.815 -0.015 -25.323 510 2HD LYS 63 1HD LYS 63 12.387 -0.154 -26.351 511 1HE LYS 63 2HE LYS 63 14.016 0.884 -27.691 512 2HE LYS 63 1HE LYS 63 12.941 2.183 -27.176 513 1HZ LYS 63 1HZ LYS 63 14.877 3.167 -26.650 514 2HZ LYS 63 2HZ LYS 63 15.726 1.712 -26.511 515 3HZ LYS 63 3HZ LYS 63 14.755 2.249 -25.235 516 H THR 64 H THR 64 9.513 1.794 -22.326 517 HA THR 64 HA THR 64 9.163 0.527 -19.714 518 HB THR 64 HB THR 64 7.938 2.550 -19.905 519 HG1 THR 64 1HG THR 64 6.370 1.510 -19.008 520 1HG2 THR 64 1HG2 THR 64 6.062 2.529 -21.777 521 2HG2 THR 64 2HG2 THR 64 7.295 1.601 -22.630 522 3HG2 THR 64 3HG2 THR 64 7.659 3.225 -22.045 523 H THR 65 H THR 65 9.753 -1.591 -20.528 524 HA THR 65 HA THR 65 7.795 -2.839 -22.310 525 HB THR 65 HB THR 65 9.482 -4.815 -22.031 526 HG1 THR 65 1HG THR 65 11.592 -4.030 -21.582 527 1HG2 THR 65 1HG2 THR 65 11.126 -3.575 -23.625 528 2HG2 THR 65 2HG2 THR 65 9.875 -2.333 -23.621 529 3HG2 THR 65 3HG2 THR 65 9.492 -3.970 -24.154 530 H ALA 66 H ALA 66 9.539 -3.884 -19.378 531 HA ALA 66 HA ALA 66 8.877 -5.078 -17.557 532 1HB ALA 66 1HB ALA 66 6.014 -4.455 -17.871 533 2HB ALA 66 2HB ALA 66 7.097 -3.068 -17.762 534 3HB ALA 66 3HB ALA 66 7.071 -4.270 -16.472 Start of MODEL 11 1 1H MET 1 1HT MET 1 1.520 14.522 4.833 2 2H MET 1 2HT MET 1 0.477 14.943 3.536 3 3H MET 1 3HT MET 1 1.393 16.157 4.335 4 HA MET 1 HA MET 1 2.204 15.406 2.123 5 1HB MET 1 2HB MET 1 3.426 16.509 4.195 6 2HB MET 1 1HB MET 1 4.263 14.963 4.247 7 1HG MET 1 2HG MET 1 4.500 15.559 1.628 8 2HG MET 1 1HG MET 1 4.487 17.176 2.330 9 1HE MET 1 1HE MET 1 5.672 17.167 4.891 10 2HE MET 1 2HE MET 1 6.659 18.160 3.819 11 3HE MET 1 3HE MET 1 7.425 16.976 4.879 12 H GLU 2 H GLU 2 2.238 13.626 0.925 13 HA GLU 2 HA GLU 2 2.569 11.486 0.229 14 1HB GLU 2 2HB GLU 2 4.837 12.117 1.527 15 2HB GLU 2 1HB GLU 2 4.298 10.780 2.533 16 1HG GLU 2 2HG GLU 2 4.429 9.250 0.780 17 2HG GLU 2 1HG GLU 2 4.457 10.518 -0.444 18 H GLN 3 H GLN 3 1.017 10.024 0.381 19 HA GLN 3 HA GLN 3 0.291 9.003 3.044 20 1HB GLN 3 2HB GLN 3 -1.342 10.612 1.604 21 2HB GLN 3 1HB GLN 3 -1.829 9.040 0.983 22 1HG GLN 3 2HG GLN 3 -3.220 8.997 2.719 23 2HG GLN 3 1HG GLN 3 -1.792 8.590 3.668 24 1HE2 GLN 3 1HE2 GLN 3 -1.834 9.660 5.501 25 2HE2 GLN 3 2HE2 GLN 3 -2.253 11.334 5.700 26 H ARG 4 H ARG 4 2.167 7.854 1.282 27 HA ARG 4 HA ARG 4 0.743 5.441 0.363 28 1HB ARG 4 2HB ARG 4 2.702 5.074 -1.129 29 2HB ARG 4 1HB ARG 4 1.806 6.541 -1.495 30 1HG ARG 4 2HG ARG 4 3.958 7.023 0.385 31 2HG ARG 4 1HG ARG 4 4.533 6.322 -1.129 32 1HD ARG 4 2HD ARG 4 2.948 8.848 -0.736 33 2HD ARG 4 1HD ARG 4 4.575 8.680 -1.396 34 HE ARG 4 HE ARG 4 2.094 8.349 -2.798 35 1HH1 ARG 4 1HH1 ARG 4 5.463 7.444 -2.725 36 2HH1 ARG 4 2HH1 ARG 4 5.533 7.091 -4.418 37 1HH2 ARG 4 1HH2 ARG 4 2.184 7.884 -5.025 38 2HH2 ARG 4 2HH2 ARG 4 3.673 7.342 -5.726 39 H ILE 5 H ILE 5 0.800 4.154 2.090 40 HA ILE 5 HA ILE 5 3.263 3.794 3.592 41 HB ILE 5 HB ILE 5 0.923 2.052 4.121 42 1HG1 ILE 5 2HG1 ILE 5 0.903 5.024 4.651 43 2HG1 ILE 5 1HG1 ILE 5 -0.243 4.105 3.684 44 1HG2 ILE 5 1HG2 ILE 5 1.973 3.527 6.360 45 2HG2 ILE 5 2HG2 ILE 5 3.280 2.786 5.435 46 3HG2 ILE 5 3HG2 ILE 5 1.969 1.789 6.065 47 1HD1 ILE 5 1HD1 ILE 5 -0.336 2.896 6.170 48 2HD1 ILE 5 2HD1 ILE 5 -1.518 4.015 5.493 49 3HD1 ILE 5 3HD1 ILE 5 -0.219 4.620 6.521 50 H THR 6 H THR 6 3.189 1.155 4.275 51 HA THR 6 HA THR 6 4.036 -0.097 1.789 52 HB THR 6 HB THR 6 4.560 -1.959 3.690 53 HG1 THR 6 1HG THR 6 5.285 -0.781 5.530 54 1HG2 THR 6 1HG2 THR 6 6.766 -0.527 4.033 55 2HG2 THR 6 2HG2 THR 6 6.121 0.308 2.621 56 3HG2 THR 6 3HG2 THR 6 6.435 -1.426 2.550 57 H LEU 7 H LEU 7 3.261 -2.073 1.025 58 HA LEU 7 HA LEU 7 0.492 -2.518 1.335 59 1HB LEU 7 2HB LEU 7 1.641 -3.083 -0.723 60 2HB LEU 7 1HB LEU 7 2.639 -4.254 0.120 61 HG LEU 7 HG LEU 7 0.409 -5.439 0.677 62 1HD1 LEU 7 1HD1 LEU 7 -0.421 -3.458 -1.400 63 2HD1 LEU 7 2HD1 LEU 7 -1.256 -3.957 0.072 64 3HD1 LEU 7 3HD1 LEU 7 -1.197 -5.040 -1.318 65 1HD2 LEU 7 1HD2 LEU 7 0.875 -6.885 -0.992 66 2HD2 LEU 7 2HD2 LEU 7 2.294 -5.856 -1.192 67 3HD2 LEU 7 3HD2 LEU 7 0.884 -5.627 -2.228 68 H LYS 8 H LYS 8 3.334 -4.229 2.575 69 HA LYS 8 HA LYS 8 2.002 -6.357 3.812 70 1HB LYS 8 2HB LYS 8 4.492 -6.119 3.422 71 2HB LYS 8 1HB LYS 8 4.532 -5.060 4.825 72 1HG LYS 8 2HG LYS 8 3.236 -7.669 5.237 73 2HG LYS 8 1HG LYS 8 4.973 -7.710 4.924 74 1HD LYS 8 2HD LYS 8 4.813 -5.682 6.723 75 2HD LYS 8 1HD LYS 8 3.491 -6.719 7.264 76 1HE LYS 8 2HE LYS 8 4.886 -8.421 7.856 77 2HE LYS 8 1HE LYS 8 6.078 -8.018 6.622 78 1HZ LYS 8 1HZ LYS 8 5.639 -6.272 8.965 79 2HZ LYS 8 2HZ LYS 8 6.981 -6.341 7.938 80 3HZ LYS 8 3HZ LYS 8 6.693 -7.594 9.038 81 H ASP 9 H ASP 9 3.090 -3.256 5.181 82 HA ASP 9 HA ASP 9 2.034 -3.678 7.757 83 1HB ASP 9 2HB ASP 9 2.629 -1.104 6.281 84 2HB ASP 9 1HB ASP 9 2.249 -1.202 7.998 85 H TYR 10 H TYR 10 0.621 -2.523 4.788 86 HA TYR 10 HA TYR 10 -1.672 -1.270 5.796 87 1HB TYR 10 2HB TYR 10 -0.709 -1.417 3.370 88 2HB TYR 10 1HB TYR 10 -1.732 -2.842 3.243 89 HD1 TYR 10 1HD TYR 10 -4.236 -2.505 3.890 90 HD2 TYR 10 2HD TYR 10 -1.589 0.669 2.892 91 HE1 TYR 10 1HE TYR 10 -6.164 -1.076 3.348 92 HE2 TYR 10 2HE TYR 10 -3.505 2.106 2.343 93 HH TYR 10 HH TYR 10 -6.707 1.298 3.180 94 H ALA 11 H ALA 11 -1.167 -4.635 4.760 95 HA ALA 11 HA ALA 11 -3.772 -5.540 5.278 96 1HB ALA 11 1HB ALA 11 -2.995 -7.635 4.780 97 2HB ALA 11 2HB ALA 11 -1.464 -7.389 5.621 98 3HB ALA 11 3HB ALA 11 -1.731 -6.650 4.042 99 H MET 12 H MET 12 -0.934 -5.292 7.353 100 HA MET 12 HA MET 12 -2.219 -6.635 9.538 101 1HB MET 12 2HB MET 12 0.453 -5.733 8.893 102 2HB MET 12 1HB MET 12 0.019 -5.312 10.544 103 1HG MET 12 2HG MET 12 -0.460 -7.610 11.058 104 2HG MET 12 1HG MET 12 -0.203 -8.077 9.378 105 1HE MET 12 1HE MET 12 2.434 -8.427 8.324 106 2HE MET 12 2HE MET 12 1.433 -9.598 9.183 107 3HE MET 12 3HE MET 12 3.143 -9.439 9.584 108 H ARG 13 H ARG 13 -1.844 -3.392 8.435 109 HA ARG 13 HA ARG 13 -2.642 -2.248 10.985 110 1HB ARG 13 2HB ARG 13 -0.915 -1.239 9.365 111 2HB ARG 13 1HB ARG 13 -2.309 -0.717 8.418 112 1HG ARG 13 2HG ARG 13 -3.081 0.692 10.136 113 2HG ARG 13 1HG ARG 13 -2.002 -0.044 11.330 114 1HD ARG 13 2HD ARG 13 -0.798 1.228 8.925 115 2HD ARG 13 1HD ARG 13 -1.443 2.276 10.188 116 HE ARG 13 HE ARG 13 0.105 0.552 11.570 117 1HH1 ARG 13 1HH1 ARG 13 0.696 2.540 8.762 118 2HH1 ARG 13 2HH1 ARG 13 2.379 2.747 9.110 119 1HH2 ARG 13 1HH2 ARG 13 2.321 0.826 12.027 120 2HH2 ARG 13 2HH2 ARG 13 3.301 1.776 10.962 121 H PHE 14 H PHE 14 -3.820 -1.693 7.664 122 HA PHE 14 HA PHE 14 -6.418 -0.981 8.645 123 1HB PHE 14 2HB PHE 14 -5.290 -1.239 5.858 124 2HB PHE 14 1HB PHE 14 -6.872 -0.591 6.247 125 HD1 PHE 14 1HD PHE 14 -7.082 1.552 7.425 126 HD2 PHE 14 2HD PHE 14 -3.305 0.045 6.226 127 HE1 PHE 14 1HE PHE 14 -6.098 3.762 7.761 128 HE2 PHE 14 2HE PHE 14 -2.311 2.246 6.562 129 HZ PHE 14 HZ PHE 14 -3.718 4.091 7.326 130 H GLY 15 H GLY 15 -5.004 -3.660 6.802 131 1HA GLY 15 2HA GLY 15 -5.969 -5.884 7.283 132 2HA GLY 15 1HA GLY 15 -7.547 -5.120 7.186 133 H GLN 16 H GLN 16 -5.900 -7.271 5.626 134 HA GLN 16 HA GLN 16 -5.491 -6.464 3.012 135 1HB GLN 16 2HB GLN 16 -5.783 -8.813 2.389 136 2HB GLN 16 1HB GLN 16 -4.826 -8.661 3.855 137 1HG GLN 16 2HG GLN 16 -6.936 -9.106 5.148 138 2HG GLN 16 1HG GLN 16 -7.695 -9.513 3.610 139 1HE2 GLN 16 1HE2 GLN 16 -5.919 -10.943 2.286 140 2HE2 GLN 16 2HE2 GLN 16 -5.466 -12.375 3.156 141 H THR 17 H THR 17 -8.483 -7.079 4.678 142 HA THR 17 HA THR 17 -10.190 -7.502 2.517 143 HB THR 17 HB THR 17 -10.840 -6.010 5.066 144 HG1 THR 17 1HG THR 17 -11.180 -7.971 5.980 145 1HG2 THR 17 1HG2 THR 17 -13.050 -6.403 4.717 146 2HG2 THR 17 2HG2 THR 17 -12.750 -7.835 3.729 147 3HG2 THR 17 3HG2 THR 17 -12.520 -6.227 3.044 148 H LYS 18 H LYS 18 -9.827 -4.427 4.286 149 HA LYS 18 HA LYS 18 -11.130 -2.846 2.383 150 1HB LYS 18 2HB LYS 18 -10.620 -2.205 4.754 151 2HB LYS 18 1HB LYS 18 -8.952 -1.939 4.269 152 1HG LYS 18 2HG LYS 18 -10.200 -0.407 2.454 153 2HG LYS 18 1HG LYS 18 -11.350 -0.300 3.789 154 1HD LYS 18 2HD LYS 18 -8.509 0.022 4.508 155 2HD LYS 18 1HD LYS 18 -9.201 1.308 3.517 156 1HE LYS 18 2HE LYS 18 -9.409 1.799 5.905 157 2HE LYS 18 1HE LYS 18 -10.980 1.620 5.139 158 1HZ LYS 18 1HZ LYS 18 -10.310 0.408 7.402 159 2HZ LYS 18 2HZ LYS 18 -9.856 -0.791 6.300 160 3HZ LYS 18 3HZ LYS 18 -11.440 -0.223 6.320 161 H THR 19 H THR 19 -7.874 -4.042 2.503 162 HA THR 19 HA THR 19 -6.610 -2.201 0.811 163 HB THR 19 HB THR 19 -5.924 -5.124 0.786 164 HG1 THR 19 1HG THR 19 -5.753 -3.331 2.939 165 1HG2 THR 19 1HG2 THR 19 -4.633 -3.151 -0.400 166 2HG2 THR 19 2HG2 THR 19 -3.788 -4.503 0.356 167 3HG2 THR 19 3HG2 THR 19 -3.941 -2.968 1.211 168 H ALA 20 H ALA 20 -8.403 -5.165 0.078 169 HA ALA 20 HA ALA 20 -8.010 -4.786 -2.777 170 1HB ALA 20 1HB ALA 20 -8.206 -7.026 -1.298 171 2HB ALA 20 2HB ALA 20 -8.568 -6.955 -3.023 172 3HB ALA 20 3HB ALA 20 -9.876 -6.864 -1.844 173 H LYS 21 H LYS 21 -10.410 -4.166 -0.361 174 HA LYS 21 HA LYS 21 -12.640 -3.966 -2.136 175 1HB LYS 21 2HB LYS 21 -12.300 -4.017 0.614 176 2HB LYS 21 1HB LYS 21 -12.850 -2.378 0.302 177 1HG LYS 21 2HG LYS 21 -14.430 -4.231 -1.204 178 2HG LYS 21 1HG LYS 21 -14.390 -4.715 0.493 179 1HD LYS 21 2HD LYS 21 -16.050 -3.226 0.743 180 2HD LYS 21 1HD LYS 21 -14.770 -2.019 0.692 181 1HE LYS 21 2HE LYS 21 -16.280 -1.233 -0.879 182 2HE LYS 21 1HE LYS 21 -15.100 -2.097 -1.864 183 1HZ LYS 21 1HZ LYS 21 -17.680 -2.472 -2.139 184 2HZ LYS 21 2HZ LYS 21 -17.420 -3.594 -0.901 185 3HZ LYS 21 3HZ LYS 21 -16.570 -3.735 -2.358 186 H ASP 22 H ASP 22 -10.630 -1.515 -0.489 187 HA ASP 22 HA ASP 22 -11.860 0.707 -1.700 188 1HB ASP 22 2HB ASP 22 -9.474 0.196 -0.064 189 2HB ASP 22 1HB ASP 22 -9.325 1.579 -1.149 190 H LEU 23 H LEU 23 -9.162 -1.327 -2.684 191 HA LEU 23 HA LEU 23 -8.457 0.366 -4.904 192 1HB LEU 23 2HB LEU 23 -7.267 -1.787 -3.517 193 2HB LEU 23 1HB LEU 23 -7.439 -2.301 -5.184 194 HG LEU 23 HG LEU 23 -6.367 0.408 -4.938 195 1HD1 LEU 23 1HD1 LEU 23 -4.263 -0.098 -4.008 196 2HD1 LEU 23 2HD1 LEU 23 -4.602 -1.828 -3.983 197 3HD1 LEU 23 3HD1 LEU 23 -5.456 -0.747 -2.881 198 1HD2 LEU 23 1HD2 LEU 23 -6.398 -0.862 -7.020 199 2HD2 LEU 23 2HD2 LEU 23 -5.379 -2.103 -6.290 200 3HD2 LEU 23 3HD2 LEU 23 -4.746 -0.475 -6.539 201 H GLY 24 H GLY 24 -10.080 -2.767 -4.500 202 1HA GLY 24 2HA GLY 24 -11.990 -3.324 -5.845 203 2HA GLY 24 1HA GLY 24 -11.310 -2.349 -7.140 204 H VAL 25 H VAL 25 -9.584 -4.728 -5.204 205 HA VAL 25 HA VAL 25 -9.343 -6.414 -7.610 206 HB VAL 25 HB VAL 25 -7.059 -7.049 -6.700 207 1HG1 VAL 25 1HG1 VAL 25 -6.765 -5.806 -8.563 208 2HG1 VAL 25 2HG1 VAL 25 -6.184 -4.608 -7.407 209 3HG1 VAL 25 3HG1 VAL 25 -7.841 -4.523 -8.009 210 1HG2 VAL 25 1HG2 VAL 25 -5.971 -5.638 -5.144 211 2HG2 VAL 25 2HG2 VAL 25 -7.537 -6.031 -4.435 212 3HG2 VAL 25 3HG2 VAL 25 -7.282 -4.457 -5.188 213 H GLN 26 H GLN 26 -8.262 -8.628 -6.824 214 HA GLN 26 HA GLN 26 -10.160 -9.731 -4.932 215 1HB GLN 26 2HB GLN 26 -8.149 -10.970 -6.799 216 2HB GLN 26 1HB GLN 26 -9.059 -11.919 -5.631 217 1HG GLN 26 2HG GLN 26 -11.140 -10.944 -6.696 218 2HG GLN 26 1HG GLN 26 -10.090 -10.388 -7.994 219 1HE2 GLN 26 1HE2 GLN 26 -11.970 -12.901 -6.872 220 2HE2 GLN 26 2HE2 GLN 26 -11.410 -14.147 -7.930 221 H GLN 27 H GLN 27 -9.711 -10.414 -2.928 222 HA GLN 27 HA GLN 27 -7.490 -9.524 -1.535 223 1HB GLN 27 2HB GLN 27 -9.382 -11.794 -0.926 224 2HB GLN 27 1HB GLN 27 -8.172 -11.216 0.211 225 1HG GLN 27 2HG GLN 27 -9.239 -9.174 0.505 226 2HG GLN 27 1HG GLN 27 -10.170 -9.341 -0.981 227 1HE2 GLN 27 1HE2 GLN 27 -11.660 -8.627 0.971 228 2HE2 GLN 27 2HE2 GLN 27 -12.560 -9.928 1.666 229 H SER 28 H SER 28 -7.857 -12.337 -3.490 230 HA SER 28 HA SER 28 -5.794 -13.923 -2.411 231 1HB SER 28 2HB SER 28 -7.671 -14.440 -4.212 232 2HB SER 28 1HB SER 28 -6.384 -14.012 -5.339 233 HG SER 28 HG SER 28 -6.060 -15.907 -3.258 234 H ALA 29 H ALA 29 -5.810 -11.237 -4.641 235 HA ALA 29 HA ALA 29 -3.187 -11.610 -5.667 236 1HB ALA 29 1HB ALA 29 -5.124 -10.161 -6.583 237 2HB ALA 29 2HB ALA 29 -3.468 -9.581 -6.757 238 3HB ALA 29 3HB ALA 29 -4.503 -8.926 -5.487 239 H ILE 30 H ILE 30 -4.500 -9.888 -2.892 240 HA ILE 30 HA ILE 30 -2.142 -8.473 -2.219 241 HB ILE 30 HB ILE 30 -4.539 -9.290 -0.577 242 1HG1 ILE 30 2HG1 ILE 30 -4.994 -6.848 -0.639 243 2HG1 ILE 30 1HG1 ILE 30 -3.578 -6.633 -1.662 244 1HG2 ILE 30 1HG2 ILE 30 -3.580 -7.522 1.052 245 2HG2 ILE 30 2HG2 ILE 30 -2.038 -7.887 0.278 246 3HG2 ILE 30 3HG2 ILE 30 -2.940 -9.163 1.096 247 1HD1 ILE 30 1HD1 ILE 30 -5.808 -8.455 -2.470 248 2HD1 ILE 30 2HD1 ILE 30 -4.583 -7.681 -3.475 249 3HD1 ILE 30 3HD1 ILE 30 -5.880 -6.716 -2.766 250 H ASN 31 H ASN 31 -3.280 -11.712 -1.568 251 HA ASN 31 HA ASN 31 -1.438 -12.332 0.492 252 1HB ASN 31 2HB ASN 31 -3.637 -13.559 -0.354 253 2HB ASN 31 1HB ASN 31 -2.472 -14.471 -1.308 254 1HD2 ASN 31 1HD2 ASN 31 -3.171 -16.301 -0.070 255 2HD2 ASN 31 2HD2 ASN 31 -2.505 -16.579 1.509 256 H LYS 32 H LYS 32 -1.427 -12.840 -3.014 257 HA LYS 32 HA LYS 32 1.067 -14.190 -3.058 258 1HB LYS 32 2HB LYS 32 -0.360 -12.749 -5.295 259 2HB LYS 32 1HB LYS 32 0.964 -13.890 -5.487 260 1HG LYS 32 2HG LYS 32 -1.487 -14.782 -4.057 261 2HG LYS 32 1HG LYS 32 -1.530 -14.631 -5.815 262 1HD LYS 32 2HD LYS 32 0.571 -16.193 -4.324 263 2HD LYS 32 1HD LYS 32 -0.913 -16.910 -4.951 264 1HE LYS 32 2HE LYS 32 -0.227 -15.941 -7.208 265 2HE LYS 32 1HE LYS 32 1.356 -15.666 -6.480 266 1HZ LYS 32 1HZ LYS 32 0.682 -17.910 -7.734 267 2HZ LYS 32 2HZ LYS 32 0.257 -18.334 -6.154 268 3HZ LYS 32 3HZ LYS 32 1.839 -17.849 -6.501 269 H TRP 33 H TRP 33 0.124 -10.865 -3.063 270 HA TRP 33 HA TRP 33 2.447 -9.745 -4.182 271 1HB TRP 33 2HB TRP 33 0.275 -8.739 -2.390 272 2HB TRP 33 1HB TRP 33 1.585 -7.694 -2.915 273 HD1 TRP 33 HD TRP 33 1.252 -9.588 -5.785 274 HE1 TRP 33 1HE TRP 33 -0.433 -8.631 -7.492 275 HE3 TRP 33 3HE TRP 33 -1.286 -6.502 -2.680 276 HZ2 TRP 33 2HZ TRP 33 -2.581 -6.792 -7.485 277 HZ3 TRP 33 3HZ TRP 33 -3.157 -5.164 -3.578 278 HH2 TRP 33 HH TRP 33 -3.792 -5.311 -5.935 279 H ILE 34 H ILE 34 1.439 -10.220 -0.797 280 HA ILE 34 HA ILE 34 3.988 -9.318 0.210 281 HB ILE 34 HB ILE 34 1.775 -10.687 1.741 282 1HG1 ILE 34 2HG1 ILE 34 2.153 -7.729 1.784 283 2HG1 ILE 34 1HG1 ILE 34 1.335 -8.435 0.394 284 1HG2 ILE 34 1HG2 ILE 34 3.432 -10.693 3.272 285 2HG2 ILE 34 2HG2 ILE 34 2.953 -9.009 3.482 286 3HG2 ILE 34 3HG2 ILE 34 4.333 -9.412 2.461 287 1HD1 ILE 34 1HD1 ILE 34 0.422 -8.102 3.160 288 2HD1 ILE 34 2HD1 ILE 34 0.019 -9.649 2.411 289 3HD1 ILE 34 3HD1 ILE 34 -0.492 -8.140 1.652 290 H HIS 35 H HIS 35 2.520 -12.340 -0.641 291 HA HIS 35 HA HIS 35 3.998 -14.114 0.914 292 1HB HIS 35 2HB HIS 35 2.382 -14.249 -1.521 293 2HB HIS 35 1HB HIS 35 3.659 -15.455 -1.466 294 HD1 HIS 35 1HD HIS 35 2.323 -14.584 1.838 295 HD2 HIS 35 2HD HIS 35 1.467 -17.318 -1.171 296 HE1 HIS 35 1HE HIS 35 0.845 -16.315 2.904 297 HE2 HIS 35 2HE HIS 35 0.407 -18.004 1.086 298 H ALA 36 H ALA 36 4.876 -12.303 -1.898 299 HA ALA 36 HA ALA 36 7.479 -13.675 -1.984 300 1HB ALA 36 1HB ALA 36 7.637 -13.264 -4.256 301 2HB ALA 36 2HB ALA 36 6.487 -11.929 -4.199 302 3HB ALA 36 3HB ALA 36 5.916 -13.591 -4.047 303 H GLY 37 H GLY 37 5.909 -10.718 -1.278 304 1HA GLY 37 2HA GLY 37 6.933 -8.933 -0.134 305 2HA GLY 37 1HA GLY 37 8.496 -9.496 -0.702 306 H ARG 38 H ARG 38 5.457 -8.451 -2.245 307 HA ARG 38 HA ARG 38 6.874 -7.176 -4.386 308 1HB ARG 38 2HB ARG 38 4.159 -7.939 -3.809 309 2HB ARG 38 1HB ARG 38 4.201 -6.273 -4.365 310 1HG ARG 38 2HG ARG 38 5.272 -6.902 -6.402 311 2HG ARG 38 1HG ARG 38 5.502 -8.555 -5.829 312 1HD ARG 38 2HD ARG 38 3.392 -9.152 -6.324 313 2HD ARG 38 1HD ARG 38 2.724 -7.618 -5.771 314 HE ARG 38 HE ARG 38 2.820 -6.835 -7.923 315 1HH1 ARG 38 1HH1 ARG 38 4.729 -9.747 -7.685 316 2HH1 ARG 38 2HH1 ARG 38 4.984 -9.868 -9.393 317 1HH2 ARG 38 1HH2 ARG 38 3.153 -6.993 -10.170 318 2HH2 ARG 38 2HH2 ARG 38 4.089 -8.305 -10.804 319 H LYS 39 H LYS 39 7.924 -5.325 -4.087 320 HA LYS 39 HA LYS 39 7.467 -3.535 -1.967 321 1HB LYS 39 2HB LYS 39 9.615 -3.697 -3.143 322 2HB LYS 39 1HB LYS 39 8.873 -3.053 -4.599 323 1HG LYS 39 2HG LYS 39 10.131 -1.332 -3.469 324 2HG LYS 39 1HG LYS 39 8.408 -0.952 -3.425 325 1HD LYS 39 2HD LYS 39 8.571 -0.742 -1.215 326 2HD LYS 39 1HD LYS 39 8.916 -2.468 -1.121 327 1HE LYS 39 2HE LYS 39 11.225 -2.124 -1.088 328 2HE LYS 39 1HE LYS 39 11.081 -0.484 -1.719 329 1HZ LYS 39 1HZ LYS 39 10.668 0.357 0.313 330 2HZ LYS 39 2HZ LYS 39 11.477 -1.030 0.845 331 3HZ LYS 39 3HZ LYS 39 9.787 -0.991 0.833 332 H ILE 40 H ILE 40 5.206 -3.117 -2.025 333 HA ILE 40 HA ILE 40 4.413 -1.176 -4.100 334 HB ILE 40 HB ILE 40 2.534 -2.996 -2.597 335 1HG1 ILE 40 2HG1 ILE 40 3.624 -3.280 -5.405 336 2HG1 ILE 40 1HG1 ILE 40 3.993 -4.331 -4.042 337 1HG2 ILE 40 1HG2 ILE 40 1.362 -1.090 -3.311 338 2HG2 ILE 40 2HG2 ILE 40 1.017 -2.325 -4.522 339 3HG2 ILE 40 3HG2 ILE 40 2.195 -1.059 -4.865 340 1HD1 ILE 40 1HD1 ILE 40 1.162 -4.171 -4.384 341 2HD1 ILE 40 2HD1 ILE 40 2.224 -5.578 -4.482 342 3HD1 ILE 40 3HD1 ILE 40 1.928 -4.593 -5.915 343 H PHE 41 H PHE 41 2.789 0.412 -3.388 344 HA PHE 41 HA PHE 41 2.721 0.872 -0.504 345 1HB PHE 41 2HB PHE 41 3.585 2.964 -2.509 346 2HB PHE 41 1HB PHE 41 3.283 3.259 -0.799 347 HD1 PHE 41 1HD PHE 41 5.528 1.667 -3.227 348 HD2 PHE 41 2HD PHE 41 4.871 2.615 0.870 349 HE1 PHE 41 1HE PHE 41 7.869 1.100 -2.725 350 HE2 PHE 41 2HE PHE 41 7.211 2.051 1.379 351 HZ PHE 41 HZ PHE 41 8.713 1.292 -0.420 352 H LEU 42 H LEU 42 0.694 1.165 0.085 353 HA LEU 42 HA LEU 42 -1.349 1.735 -1.842 354 1HB LEU 42 2HB LEU 42 -1.234 0.976 1.022 355 2HB LEU 42 1HB LEU 42 -2.693 1.766 0.455 356 HG LEU 42 HG LEU 42 -2.132 -0.201 -1.440 357 1HD1 LEU 42 1HD1 LEU 42 -0.775 -1.598 -0.285 358 2HD1 LEU 42 2HD1 LEU 42 -2.318 -2.169 0.348 359 3HD1 LEU 42 3HD1 LEU 42 -1.348 -1.034 1.285 360 1HD2 LEU 42 1HD2 LEU 42 -4.235 0.557 0.349 361 2HD2 LEU 42 2HD2 LEU 42 -4.106 -1.198 0.286 362 3HD2 LEU 42 3HD2 LEU 42 -4.334 -0.277 -1.200 363 H THR 43 H THR 43 -1.524 3.758 -2.557 364 HA THR 43 HA THR 43 -1.198 5.999 -0.714 365 HB THR 43 HB THR 43 -1.861 6.258 -3.633 366 HG1 THR 43 1HG THR 43 0.405 6.204 -4.016 367 1HG2 THR 43 1HG2 THR 43 -0.883 8.019 -1.539 368 2HG2 THR 43 2HG2 THR 43 -1.638 8.400 -3.087 369 3HG2 THR 43 3HG2 THR 43 0.093 8.068 -3.007 370 H ILE 44 H ILE 44 -3.031 5.998 0.533 371 HA ILE 44 HA ILE 44 -5.654 5.696 -0.613 372 HB ILE 44 HB ILE 44 -5.013 6.719 2.151 373 1HG1 ILE 44 2HG1 ILE 44 -5.610 3.836 1.660 374 2HG1 ILE 44 1HG1 ILE 44 -3.979 4.408 1.323 375 1HG2 ILE 44 1HG2 ILE 44 -7.391 5.155 1.165 376 2HG2 ILE 44 2HG2 ILE 44 -7.344 6.915 1.273 377 3HG2 ILE 44 3HG2 ILE 44 -7.191 5.938 2.734 378 1HD1 ILE 44 1HD1 ILE 44 -3.774 3.724 3.492 379 2HD1 ILE 44 2HD1 ILE 44 -5.421 4.197 3.913 380 3HD1 ILE 44 3HD1 ILE 44 -4.170 5.427 3.720 381 H ASN 45 H ASN 45 -7.238 7.254 -0.840 382 HA ASN 45 HA ASN 45 -6.274 10.037 -0.831 383 1HB ASN 45 2HB ASN 45 -8.439 8.748 -2.507 384 2HB ASN 45 1HB ASN 45 -8.024 10.459 -2.544 385 1HD2 ASN 45 1HD2 ASN 45 -7.916 8.307 -4.592 386 2HD2 ASN 45 2HD2 ASN 45 -6.289 8.352 -5.199 387 H ALA 46 H ALA 46 -7.725 11.694 -0.158 388 HA ALA 46 HA ALA 46 -9.118 11.162 2.197 389 1HB ALA 46 1HB ALA 46 -9.721 13.421 2.219 390 2HB ALA 46 2HB ALA 46 -9.735 13.529 0.459 391 3HB ALA 46 3HB ALA 46 -8.203 13.387 1.322 392 H ASP 47 H ASP 47 -10.120 10.836 -1.082 393 HA ASP 47 HA ASP 47 -12.930 11.013 -0.569 394 1HB ASP 47 2HB ASP 47 -13.080 10.153 -2.916 395 2HB ASP 47 1HB ASP 47 -12.150 11.634 -2.744 396 H GLY 48 H GLY 48 -10.520 8.564 -0.431 397 1HA GLY 48 2HA GLY 48 -11.070 6.571 0.870 398 2HA GLY 48 1HA GLY 48 -12.630 6.559 0.056 399 H SER 49 H SER 49 -9.790 7.296 -1.782 400 HA SER 49 HA SER 49 -9.937 4.625 -3.006 401 1HB SER 49 2HB SER 49 -10.160 7.194 -4.190 402 2HB SER 49 1HB SER 49 -8.669 6.465 -4.764 403 HG SER 49 HG SER 49 -10.020 4.556 -5.201 404 H VAL 50 H VAL 50 -8.227 3.402 -2.666 405 HA VAL 50 HA VAL 50 -5.601 4.687 -2.374 406 HB VAL 50 HB VAL 50 -6.308 4.070 -0.161 407 1HG1 VAL 50 1HG1 VAL 50 -6.418 1.298 -0.126 408 2HG1 VAL 50 2HG1 VAL 50 -7.397 1.780 -1.510 409 3HG1 VAL 50 3HG1 VAL 50 -7.753 2.429 0.089 410 1HG2 VAL 50 1HG2 VAL 50 -4.286 2.107 -1.222 411 2HG2 VAL 50 2HG2 VAL 50 -4.508 2.549 0.471 412 3HG2 VAL 50 3HG2 VAL 50 -3.959 3.754 -0.690 413 H TYR 51 H TYR 51 -4.513 4.167 -4.125 414 HA TYR 51 HA TYR 51 -4.829 1.515 -5.310 415 1HB TYR 51 2HB TYR 51 -3.591 2.441 -7.217 416 2HB TYR 51 1HB TYR 51 -4.974 3.451 -6.808 417 HD1 TYR 51 1HD TYR 51 -1.307 3.160 -6.179 418 HD2 TYR 51 2HD TYR 51 -4.671 5.738 -6.549 419 HE1 TYR 51 1HE TYR 51 0.178 5.112 -6.012 420 HE2 TYR 51 2HE TYR 51 -3.195 7.698 -6.384 421 HH TYR 51 HH TYR 51 -0.543 7.907 -5.180 422 H ALA 52 H ALA 52 -2.919 0.320 -6.004 423 HA ALA 52 HA ALA 52 -0.734 0.592 -4.053 424 1HB ALA 52 1HB ALA 52 -2.321 -1.603 -4.675 425 2HB ALA 52 2HB ALA 52 -0.831 -1.608 -3.731 426 3HB ALA 52 3HB ALA 52 -0.778 -1.931 -5.464 427 H GLU 53 H GLU 53 0.947 1.626 -4.911 428 HA GLU 53 HA GLU 53 1.543 1.349 -7.752 429 1HB GLU 53 2HB GLU 53 2.071 3.334 -5.681 430 2HB GLU 53 1HB GLU 53 3.490 2.990 -6.660 431 1HG GLU 53 2HG GLU 53 2.007 3.365 -8.680 432 2HG GLU 53 1HG GLU 53 0.821 4.023 -7.555 433 H GLU 54 H GLU 54 3.049 0.034 -8.525 434 HA GLU 54 HA GLU 54 4.683 -1.505 -6.696 435 1HB GLU 54 2HB GLU 54 3.460 -2.362 -8.817 436 2HB GLU 54 1HB GLU 54 4.823 -1.681 -9.692 437 1HG GLU 54 2HG GLU 54 5.957 -3.538 -9.322 438 2HG GLU 54 1HG GLU 54 5.902 -3.210 -7.592 439 H VAL 55 H VAL 55 6.742 -1.111 -6.214 440 HA VAL 55 HA VAL 55 8.226 0.794 -7.905 441 HB VAL 55 HB VAL 55 8.630 0.386 -4.942 442 1HG1 VAL 55 1HG1 VAL 55 9.915 2.036 -7.033 443 2HG1 VAL 55 2HG1 VAL 55 10.595 1.318 -5.573 444 3HG1 VAL 55 3HG1 VAL 55 9.648 2.801 -5.466 445 1HG2 VAL 55 1HG2 VAL 55 6.841 2.234 -6.447 446 2HG2 VAL 55 2HG2 VAL 55 7.624 2.814 -4.978 447 3HG2 VAL 55 3HG2 VAL 55 6.571 1.400 -4.916 448 H LYS 56 H LYS 56 10.454 0.448 -8.193 449 HA LYS 56 HA LYS 56 11.277 -2.341 -7.763 450 1HB LYS 56 2HB LYS 56 11.139 -1.249 -10.116 451 2HB LYS 56 1HB LYS 56 12.630 -0.439 -9.654 452 1HG LYS 56 2HG LYS 56 13.668 -2.639 -9.260 453 2HG LYS 56 1HG LYS 56 12.183 -3.412 -9.817 454 1HD LYS 56 2HD LYS 56 12.487 -2.702 -12.009 455 2HD LYS 56 1HD LYS 56 13.587 -1.404 -11.539 456 1HE LYS 56 2HE LYS 56 14.384 -4.220 -10.994 457 2HE LYS 56 1HE LYS 56 14.475 -3.625 -12.652 458 1HZ LYS 56 1HZ LYS 56 16.319 -3.248 -10.620 459 2HZ LYS 56 2HZ LYS 56 15.610 -1.736 -10.884 460 3HZ LYS 56 3HZ LYS 56 16.340 -2.561 -12.166 461 HA PRO 57 HA PRO 57 14.269 -1.146 -4.728 462 1HB PRO 57 2HB PRO 57 16.267 -2.945 -5.480 463 2HB PRO 57 1HB PRO 57 14.954 -3.275 -4.348 464 1HG PRO 57 2HG PRO 57 15.178 -3.955 -7.244 465 2HG PRO 57 1HG PRO 57 14.464 -4.894 -5.919 466 1HD PRO 57 2HD PRO 57 12.928 -3.585 -7.675 467 2HD PRO 57 1HD PRO 57 12.487 -3.672 -5.957 468 H ASP 58 H ASP 58 16.230 -0.021 -4.545 469 HA ASP 58 HA ASP 58 17.750 1.544 -5.192 470 1HB ASP 58 2HB ASP 58 19.034 -0.412 -5.786 471 2HB ASP 58 1HB ASP 58 18.183 -0.553 -7.325 472 HA PRO 59 HA PRO 59 14.855 3.204 -8.493 473 1HB PRO 59 2HB PRO 59 13.973 5.342 -7.080 474 2HB PRO 59 1HB PRO 59 13.205 3.751 -6.988 475 1HG PRO 59 2HG PRO 59 15.165 5.021 -5.114 476 2HG PRO 59 1HG PRO 59 13.694 4.102 -4.741 477 1HD PRO 59 2HD PRO 59 16.171 3.010 -4.617 478 2HD PRO 59 1HD PRO 59 14.734 2.070 -5.061 479 H SER 60 H SER 60 16.838 3.669 -9.604 480 HA SER 60 HA SER 60 17.385 6.439 -9.816 481 1HB SER 60 2HB SER 60 19.953 5.960 -9.269 482 2HB SER 60 1HB SER 60 18.819 6.487 -8.025 483 HG SER 60 HG SER 60 19.169 4.673 -7.049 484 H ASN 61 H ASN 61 16.743 5.649 -11.939 485 HA ASN 61 HA ASN 61 19.028 4.503 -13.404 486 1HB ASN 61 2HB ASN 61 16.161 3.755 -13.431 487 2HB ASN 61 1HB ASN 61 16.959 3.817 -15.000 488 1HD2 ASN 61 1HD2 ASN 61 15.964 1.472 -14.012 489 2HD2 ASN 61 2HD2 ASN 61 17.276 0.403 -13.618 490 H LYS 62 H LYS 62 19.760 5.665 -15.069 491 HA LYS 62 HA LYS 62 18.055 7.431 -16.573 492 1HB LYS 62 2HB LYS 62 20.128 8.504 -14.676 493 2HB LYS 62 1HB LYS 62 19.661 9.399 -16.117 494 1HG LYS 62 2HG LYS 62 17.236 8.967 -15.157 495 2HG LYS 62 1HG LYS 62 18.128 8.850 -13.639 496 1HD LYS 62 2HD LYS 62 19.197 11.056 -14.232 497 2HD LYS 62 1HD LYS 62 18.033 11.175 -15.553 498 1HE LYS 62 2HE LYS 62 16.902 12.318 -13.930 499 2HE LYS 62 1HE LYS 62 16.308 10.687 -13.620 500 1HZ LYS 62 1HZ LYS 62 16.916 11.540 -11.544 501 2HZ LYS 62 2HZ LYS 62 18.362 12.200 -12.121 502 3HZ LYS 62 3HZ LYS 62 18.199 10.523 -11.970 503 H LYS 63 H LYS 63 21.401 6.530 -15.809 504 HA LYS 63 HA LYS 63 21.900 6.168 -18.665 505 1HB LYS 63 2HB LYS 63 24.137 7.308 -18.389 506 2HB LYS 63 1HB LYS 63 22.737 8.372 -18.367 507 1HG LYS 63 2HG LYS 63 23.040 7.811 -15.720 508 2HG LYS 63 1HG LYS 63 24.711 7.812 -16.284 509 1HD LYS 63 2HD LYS 63 22.706 10.025 -16.722 510 2HD LYS 63 1HD LYS 63 23.998 10.035 -15.520 511 1HE LYS 63 2HE LYS 63 24.676 9.574 -18.388 512 2HE LYS 63 1HE LYS 63 24.314 11.211 -17.845 513 1HZ LYS 63 1HZ LYS 63 26.473 9.423 -16.883 514 2HZ LYS 63 2HZ LYS 63 26.032 10.844 -16.081 515 3HZ LYS 63 3HZ LYS 63 26.634 10.917 -17.659 516 H THR 64 H THR 64 21.773 3.933 -18.031 517 HA THR 64 HA THR 64 24.259 2.991 -16.762 518 HB THR 64 HB THR 64 21.860 1.259 -16.589 519 HG1 THR 64 1HG THR 64 20.936 3.193 -15.981 520 1HG2 THR 64 1HG2 THR 64 24.157 1.926 -14.787 521 2HG2 THR 64 2HG2 THR 64 23.741 0.377 -15.523 522 3HG2 THR 64 3HG2 THR 64 22.745 1.034 -14.221 523 H THR 65 H THR 65 24.620 0.584 -17.309 524 HA THR 65 HA THR 65 24.417 0.347 -20.211 525 HB THR 65 HB THR 65 26.633 0.088 -19.218 526 HG1 THR 65 1HG THR 65 25.918 -1.251 -21.048 527 1HG2 THR 65 1HG2 THR 65 27.185 -1.881 -17.869 528 2HG2 THR 65 2HG2 THR 65 25.468 -2.262 -17.748 529 3HG2 THR 65 3HG2 THR 65 26.094 -0.776 -17.034 530 H ALA 66 H ALA 66 23.466 -1.310 -17.264 531 HA ALA 66 HA ALA 66 21.989 -2.991 -16.856 532 1HB ALA 66 1HB ALA 66 20.886 -2.605 -19.620 533 2HB ALA 66 2HB ALA 66 20.598 -1.433 -18.335 534 3HB ALA 66 3HB ALA 66 20.043 -3.097 -18.151 Start of MODEL 12 1 1H MET 1 1HT MET 1 2.630 16.565 1.700 2 2H MET 1 2HT MET 1 3.581 16.034 0.375 3 3H MET 1 3HT MET 1 4.338 16.658 1.783 4 HA MET 1 HA MET 1 4.568 14.362 1.854 5 1HB MET 1 2HB MET 1 4.007 15.501 3.950 6 2HB MET 1 1HB MET 1 2.292 15.292 3.620 7 1HG MET 1 2HG MET 1 2.327 13.054 4.106 8 2HG MET 1 1HG MET 1 4.042 12.888 3.733 9 1HE MET 1 1HE MET 1 4.407 11.443 5.503 10 2HE MET 1 2HE MET 1 3.130 11.487 6.720 11 3HE MET 1 3HE MET 1 4.780 11.926 7.159 12 H GLU 2 H GLU 2 3.888 12.335 1.332 13 HA GLU 2 HA GLU 2 1.213 12.122 0.117 14 1HB GLU 2 2HB GLU 2 3.864 11.231 -0.745 15 2HB GLU 2 1HB GLU 2 2.648 9.964 -0.827 16 1HG GLU 2 2HG GLU 2 1.721 10.850 -2.634 17 2HG GLU 2 1HG GLU 2 1.651 12.451 -1.901 18 H GLN 3 H GLN 3 0.147 10.028 0.286 19 HA GLN 3 HA GLN 3 0.712 8.772 2.882 20 1HB GLN 3 2HB GLN 3 -1.698 9.653 1.605 21 2HB GLN 3 1HB GLN 3 -1.802 7.920 1.883 22 1HG GLN 3 2HG GLN 3 -0.942 9.776 4.064 23 2HG GLN 3 1HG GLN 3 -2.649 9.527 3.699 24 1HE2 GLN 3 1HE2 GLN 3 -3.641 7.871 4.617 25 2HE2 GLN 3 2HE2 GLN 3 -2.861 6.545 5.422 26 H ARG 4 H ARG 4 2.287 8.033 0.692 27 HA ARG 4 HA ARG 4 1.258 5.588 -0.437 28 1HB ARG 4 2HB ARG 4 3.612 5.381 -1.339 29 2HB ARG 4 1HB ARG 4 2.710 6.799 -1.849 30 1HG ARG 4 2HG ARG 4 3.913 8.187 -0.294 31 2HG ARG 4 1HG ARG 4 4.734 6.778 0.380 32 1HD ARG 4 2HD ARG 4 6.300 7.718 -1.079 33 2HD ARG 4 1HD ARG 4 5.603 6.379 -1.990 34 HE ARG 4 HE ARG 4 4.072 8.470 -2.738 35 1HH1 ARG 4 1HH1 ARG 4 7.528 7.994 -2.620 36 2HH1 ARG 4 2HH1 ARG 4 7.846 9.059 -3.948 37 1HH2 ARG 4 1HH2 ARG 4 4.488 9.871 -4.483 38 2HH2 ARG 4 2HH2 ARG 4 6.122 10.126 -5.006 39 H ILE 5 H ILE 5 0.797 4.495 1.556 40 HA ILE 5 HA ILE 5 2.933 3.762 3.325 41 HB ILE 5 HB ILE 5 0.213 2.477 3.191 42 1HG1 ILE 5 2HG1 ILE 5 0.728 4.730 5.045 43 2HG1 ILE 5 1HG1 ILE 5 0.482 5.127 3.360 44 1HG2 ILE 5 1HG2 ILE 5 1.490 1.265 4.692 45 2HG2 ILE 5 2HG2 ILE 5 0.705 2.446 5.739 46 3HG2 ILE 5 3HG2 ILE 5 2.379 2.685 5.242 47 1HD1 ILE 5 1HD1 ILE 5 -1.451 3.345 4.758 48 2HD1 ILE 5 2HD1 ILE 5 -1.701 4.396 3.363 49 3HD1 ILE 5 3HD1 ILE 5 -1.534 5.093 4.975 50 H THR 6 H THR 6 3.330 1.491 3.856 51 HA THR 6 HA THR 6 3.996 0.021 1.462 52 HB THR 6 HB THR 6 4.669 -1.616 3.575 53 HG1 THR 6 1HG THR 6 5.162 1.036 4.424 54 1HG2 THR 6 1HG2 THR 6 6.745 0.319 3.236 55 2HG2 THR 6 2HG2 THR 6 6.027 -0.076 1.674 56 3HG2 THR 6 3HG2 THR 6 6.677 -1.359 2.697 57 H LEU 7 H LEU 7 3.184 -1.941 0.812 58 HA LEU 7 HA LEU 7 0.508 -2.513 1.282 59 1HB LEU 7 2HB LEU 7 1.860 -3.287 -0.664 60 2HB LEU 7 1HB LEU 7 2.622 -4.469 0.383 61 HG LEU 7 HG LEU 7 0.299 -5.404 0.807 62 1HD1 LEU 7 1HD1 LEU 7 -1.293 -4.915 -1.108 63 2HD1 LEU 7 2HD1 LEU 7 -0.303 -3.492 -1.429 64 3HD1 LEU 7 3HD1 LEU 7 -1.124 -3.663 0.123 65 1HD2 LEU 7 1HD2 LEU 7 0.943 -5.631 -2.091 66 2HD2 LEU 7 2HD2 LEU 7 0.530 -6.887 -0.924 67 3HD2 LEU 7 3HD2 LEU 7 2.137 -6.161 -0.907 68 H LYS 8 H LYS 8 3.397 -3.818 2.824 69 HA LYS 8 HA LYS 8 2.112 -5.848 4.302 70 1HB LYS 8 2HB LYS 8 4.569 -5.704 3.883 71 2HB LYS 8 1HB LYS 8 4.645 -4.370 5.024 72 1HG LYS 8 2HG LYS 8 3.877 -5.830 6.810 73 2HG LYS 8 1HG LYS 8 3.748 -7.171 5.671 74 1HD LYS 8 2HD LYS 8 6.201 -6.874 5.205 75 2HD LYS 8 1HD LYS 8 6.247 -5.736 6.552 76 1HE LYS 8 2HE LYS 8 4.922 -8.125 7.389 77 2HE LYS 8 1HE LYS 8 6.453 -8.554 6.628 78 1HZ LYS 8 1HZ LYS 8 7.617 -7.126 8.125 79 2HZ LYS 8 2HZ LYS 8 6.619 -8.137 9.043 80 3HZ LYS 8 3HZ LYS 8 6.175 -6.526 8.777 81 H ASP 9 H ASP 9 2.773 -2.454 4.964 82 HA ASP 9 HA ASP 9 1.933 -2.540 7.689 83 1HB ASP 9 2HB ASP 9 2.395 -0.286 5.740 84 2HB ASP 9 1HB ASP 9 1.824 -0.001 7.380 85 H TYR 10 H TYR 10 0.401 -1.299 4.721 86 HA TYR 10 HA TYR 10 -2.029 -0.552 5.895 87 1HB TYR 10 2HB TYR 10 -1.270 0.126 3.621 88 2HB TYR 10 1HB TYR 10 -1.598 -1.509 3.059 89 HD1 TYR 10 1HD TYR 10 -4.039 -2.370 3.471 90 HD2 TYR 10 2HD TYR 10 -2.926 1.736 3.435 91 HE1 TYR 10 1HE TYR 10 -6.373 -1.748 3.008 92 HE2 TYR 10 2HE TYR 10 -5.256 2.369 2.972 93 HH TYR 10 HH TYR 10 -7.493 0.432 1.811 94 H ALA 11 H ALA 11 -0.869 -3.643 4.729 95 HA ALA 11 HA ALA 11 -3.376 -4.972 4.712 96 1HB ALA 11 1HB ALA 11 -1.900 -6.192 3.499 97 2HB ALA 11 2HB ALA 11 -1.681 -7.011 5.045 98 3HB ALA 11 3HB ALA 11 -0.534 -5.774 4.532 99 H MET 12 H MET 12 -0.706 -4.981 7.072 100 HA MET 12 HA MET 12 -2.192 -6.478 8.988 101 1HB MET 12 2HB MET 12 0.507 -5.538 8.677 102 2HB MET 12 1HB MET 12 -0.069 -5.163 10.294 103 1HG MET 12 2HG MET 12 -0.887 -7.683 10.165 104 2HG MET 12 1HG MET 12 0.446 -7.780 9.017 105 1HE MET 12 1HE MET 12 2.477 -6.366 9.472 106 2HE MET 12 2HE MET 12 3.516 -7.167 10.652 107 3HE MET 12 3HE MET 12 2.803 -5.596 11.024 108 H ARG 13 H ARG 13 -1.865 -3.142 8.227 109 HA ARG 13 HA ARG 13 -2.884 -2.249 10.798 110 1HB ARG 13 2HB ARG 13 -1.121 -1.014 9.427 111 2HB ARG 13 1HB ARG 13 -2.438 -0.549 8.350 112 1HG ARG 13 2HG ARG 13 -2.063 1.246 9.865 113 2HG ARG 13 1HG ARG 13 -3.586 0.468 10.320 114 1HD ARG 13 2HD ARG 13 -1.710 -0.908 11.796 115 2HD ARG 13 1HD ARG 13 -1.100 0.746 11.819 116 HE ARG 13 HE ARG 13 -3.466 -0.253 13.114 117 1HH1 ARG 13 1HH1 ARG 13 -1.865 2.581 11.856 118 2HH1 ARG 13 2HH1 ARG 13 -2.748 3.679 12.861 119 1HH2 ARG 13 1HH2 ARG 13 -4.627 1.191 14.439 120 2HH2 ARG 13 2HH2 ARG 13 -4.315 2.891 14.328 121 H PHE 14 H PHE 14 -3.878 -1.679 7.416 122 HA PHE 14 HA PHE 14 -6.602 -1.225 8.295 123 1HB PHE 14 2HB PHE 14 -5.181 -0.892 5.657 124 2HB PHE 14 1HB PHE 14 -6.891 -0.586 5.885 125 HD1 PHE 14 1HD PHE 14 -7.634 1.280 7.323 126 HD2 PHE 14 2HD PHE 14 -3.536 0.645 6.438 127 HE1 PHE 14 1HE PHE 14 -7.126 3.548 8.073 128 HE2 PHE 14 2HE PHE 14 -3.017 2.905 7.190 129 HZ PHE 14 HZ PHE 14 -4.817 4.341 7.998 130 H GLY 15 H GLY 15 -5.255 -3.963 8.161 131 1HA GLY 15 2HA GLY 15 -5.891 -6.103 7.639 132 2HA GLY 15 1HA GLY 15 -7.495 -5.443 7.353 133 H GLN 16 H GLN 16 -6.269 -7.565 5.889 134 HA GLN 16 HA GLN 16 -5.344 -6.519 3.376 135 1HB GLN 16 2HB GLN 16 -5.848 -9.215 4.527 136 2HB GLN 16 1HB GLN 16 -5.875 -9.070 2.775 137 1HG GLN 16 2HG GLN 16 -3.670 -9.127 2.719 138 2HG GLN 16 1HG GLN 16 -3.590 -7.690 3.736 139 1HE2 GLN 16 1HE2 GLN 16 -1.571 -8.882 4.355 140 2HE2 GLN 16 2HE2 GLN 16 -1.689 -9.991 5.685 141 H THR 17 H THR 17 -8.387 -7.560 4.727 142 HA THR 17 HA THR 17 -9.816 -7.910 2.323 143 HB THR 17 HB THR 17 -10.850 -7.060 5.036 144 HG1 THR 17 1HG THR 17 -9.683 -9.062 4.996 145 1HG2 THR 17 1HG2 THR 17 -12.280 -8.351 2.729 146 2HG2 THR 17 2HG2 THR 17 -12.550 -6.723 3.355 147 3HG2 THR 17 3HG2 THR 17 -12.940 -8.126 4.347 148 H LYS 18 H LYS 18 -9.582 -5.106 4.506 149 HA LYS 18 HA LYS 18 -11.210 -3.384 3.021 150 1HB LYS 18 2HB LYS 18 -10.160 -3.152 5.415 151 2HB LYS 18 1HB LYS 18 -8.865 -2.340 4.556 152 1HG LYS 18 2HG LYS 18 -10.660 -0.852 3.550 153 2HG LYS 18 1HG LYS 18 -11.740 -1.529 4.767 154 1HD LYS 18 2HD LYS 18 -9.790 -0.864 6.399 155 2HD LYS 18 1HD LYS 18 -9.386 0.262 5.101 156 1HE LYS 18 2HE LYS 18 -10.870 1.216 6.859 157 2HE LYS 18 1HE LYS 18 -11.540 1.288 5.227 158 1HZ LYS 18 1HZ LYS 18 -13.180 -0.146 5.737 159 2HZ LYS 18 2HZ LYS 18 -12.890 0.381 7.320 160 3HZ LYS 18 3HZ LYS 18 -12.220 -1.072 6.779 161 H THR 19 H THR 19 -7.806 -4.171 2.739 162 HA THR 19 HA THR 19 -7.046 -2.090 1.011 163 HB THR 19 HB THR 19 -5.852 -4.843 0.861 164 HG1 THR 19 1HG THR 19 -5.873 -4.618 3.003 165 1HG2 THR 19 1HG2 THR 19 -3.735 -3.417 0.926 166 2HG2 THR 19 2HG2 THR 19 -4.801 -2.059 0.568 167 3HG2 THR 19 3HG2 THR 19 -4.691 -3.413 -0.555 168 H ALA 20 H ALA 20 -8.055 -5.426 0.284 169 HA ALA 20 HA ALA 20 -7.962 -5.142 -2.521 170 1HB ALA 20 1HB ALA 20 -7.949 -7.314 -1.357 171 2HB ALA 20 2HB ALA 20 -9.191 -7.226 -2.607 172 3HB ALA 20 3HB ALA 20 -9.636 -7.063 -0.907 173 H LYS 21 H LYS 21 -10.380 -4.340 -0.147 174 HA LYS 21 HA LYS 21 -12.520 -4.054 -2.042 175 1HB LYS 21 2HB LYS 21 -12.430 -4.364 0.664 176 2HB LYS 21 1HB LYS 21 -12.740 -2.639 0.534 177 1HG LYS 21 2HG LYS 21 -14.880 -3.349 0.522 178 2HG LYS 21 1HG LYS 21 -14.560 -3.527 -1.205 179 1HD LYS 21 2HD LYS 21 -14.700 -5.765 -1.116 180 2HD LYS 21 1HD LYS 21 -13.780 -5.854 0.385 181 1HE LYS 21 2HE LYS 21 -16.560 -4.801 0.478 182 2HE LYS 21 1HE LYS 21 -16.320 -6.537 0.294 183 1HZ LYS 21 1HZ LYS 21 -16.270 -6.455 2.528 184 2HZ LYS 21 2HZ LYS 21 -15.810 -4.828 2.584 185 3HZ LYS 21 3HZ LYS 21 -14.650 -6.027 2.289 186 H ASP 22 H ASP 22 -10.270 -1.885 -0.391 187 HA ASP 22 HA ASP 22 -11.440 0.502 -1.438 188 1HB ASP 22 2HB ASP 22 -9.157 -0.211 0.268 189 2HB ASP 22 1HB ASP 22 -8.882 1.208 -0.744 190 H LEU 23 H LEU 23 -8.892 -1.678 -2.445 191 HA LEU 23 HA LEU 23 -7.985 0.080 -4.556 192 1HB LEU 23 2HB LEU 23 -7.210 -2.618 -3.544 193 2HB LEU 23 1HB LEU 23 -6.743 -2.168 -5.172 194 HG LEU 23 HG LEU 23 -5.920 0.022 -3.779 195 1HD1 LEU 23 1HD1 LEU 23 -5.682 -2.367 -1.968 196 2HD1 LEU 23 2HD1 LEU 23 -6.405 -0.798 -1.613 197 3HD1 LEU 23 3HD1 LEU 23 -4.659 -0.938 -1.824 198 1HD2 LEU 23 1HD2 LEU 23 -4.561 -1.062 -5.404 199 2HD2 LEU 23 2HD2 LEU 23 -4.448 -2.524 -4.423 200 3HD2 LEU 23 3HD2 LEU 23 -3.654 -1.043 -3.892 201 H GLY 24 H GLY 24 -10.090 -2.685 -4.184 202 1HA GLY 24 2HA GLY 24 -11.830 -3.259 -5.643 203 2HA GLY 24 1HA GLY 24 -11.110 -2.234 -6.875 204 H VAL 25 H VAL 25 -9.224 -4.594 -5.150 205 HA VAL 25 HA VAL 25 -9.036 -6.170 -7.633 206 HB VAL 25 HB VAL 25 -6.837 -6.972 -6.651 207 1HG1 VAL 25 1HG1 VAL 25 -5.732 -4.660 -7.145 208 2HG1 VAL 25 2HG1 VAL 25 -7.369 -4.194 -7.605 209 3HG1 VAL 25 3HG1 VAL 25 -6.567 -5.532 -8.430 210 1HG2 VAL 25 1HG2 VAL 25 -6.685 -4.514 -5.023 211 2HG2 VAL 25 2HG2 VAL 25 -5.960 -6.099 -4.758 212 3HG2 VAL 25 3HG2 VAL 25 -7.657 -5.830 -4.363 213 H GLN 26 H GLN 26 -8.059 -8.486 -6.960 214 HA GLN 26 HA GLN 26 -10.070 -9.626 -5.172 215 1HB GLN 26 2HB GLN 26 -9.223 -11.815 -6.200 216 2HB GLN 26 1HB GLN 26 -10.120 -10.724 -7.246 217 1HG GLN 26 2HG GLN 26 -8.115 -9.967 -8.293 218 2HG GLN 26 1HG GLN 26 -7.119 -10.843 -7.132 219 1HE2 GLN 26 1HE2 GLN 26 -7.097 -11.049 -10.003 220 2HE2 GLN 26 2HE2 GLN 26 -7.481 -12.689 -10.390 221 H GLN 27 H GLN 27 -9.573 -10.816 -3.390 222 HA GLN 27 HA GLN 27 -7.274 -10.248 -1.952 223 1HB GLN 27 2HB GLN 27 -8.950 -12.731 -1.601 224 2HB GLN 27 1HB GLN 27 -7.981 -11.920 -0.378 225 1HG GLN 27 2HG GLN 27 -9.926 -10.132 -1.549 226 2HG GLN 27 1HG GLN 27 -10.680 -11.571 -0.869 227 1HE2 GLN 27 1HE2 GLN 27 -11.640 -10.209 0.704 228 2HE2 GLN 27 2HE2 GLN 27 -10.740 -9.664 2.072 229 H SER 28 H SER 28 -7.793 -12.622 -4.389 230 HA SER 28 HA SER 28 -5.799 -14.479 -3.727 231 1HB SER 28 2HB SER 28 -6.099 -15.371 -5.869 232 2HB SER 28 1HB SER 28 -7.650 -14.597 -5.547 233 HG SER 28 HG SER 28 -6.623 -12.712 -6.661 234 H ALA 29 H ALA 29 -5.655 -11.361 -5.295 235 HA ALA 29 HA ALA 29 -2.918 -11.690 -6.157 236 1HB ALA 29 1HB ALA 29 -4.161 -10.319 -7.582 237 2HB ALA 29 2HB ALA 29 -3.177 -9.186 -6.655 238 3HB ALA 29 3HB ALA 29 -4.876 -9.419 -6.244 239 H ILE 30 H ILE 30 -4.644 -10.046 -3.552 240 HA ILE 30 HA ILE 30 -2.494 -8.594 -2.497 241 HB ILE 30 HB ILE 30 -4.751 -9.795 -0.890 242 1HG1 ILE 30 2HG1 ILE 30 -5.724 -8.616 -2.767 243 2HG1 ILE 30 1HG1 ILE 30 -5.927 -7.638 -1.319 244 1HG2 ILE 30 1HG2 ILE 30 -4.265 -7.387 0.203 245 2HG2 ILE 30 2HG2 ILE 30 -2.651 -7.794 -0.377 246 3HG2 ILE 30 3HG2 ILE 30 -3.488 -8.876 0.736 247 1HD1 ILE 30 1HD1 ILE 30 -4.170 -7.184 -3.679 248 2HD1 ILE 30 2HD1 ILE 30 -3.735 -6.495 -2.115 249 3HD1 ILE 30 3HD1 ILE 30 -5.275 -6.077 -2.865 250 H ASN 31 H ASN 31 -3.714 -11.825 -1.645 251 HA ASN 31 HA ASN 31 -1.825 -12.381 0.350 252 1HB ASN 31 2HB ASN 31 -3.861 -13.835 -1.116 253 2HB ASN 31 1HB ASN 31 -2.435 -14.835 -0.854 254 1HD2 ASN 31 1HD2 ASN 31 -2.686 -16.068 0.846 255 2HD2 ASN 31 2HD2 ASN 31 -3.422 -15.605 2.350 256 H LYS 32 H LYS 32 -1.739 -12.774 -3.142 257 HA LYS 32 HA LYS 32 0.632 -14.288 -3.278 258 1HB LYS 32 2HB LYS 32 -1.177 -12.985 -5.120 259 2HB LYS 32 1HB LYS 32 0.492 -12.752 -5.617 260 1HG LYS 32 2HG LYS 32 0.764 -14.906 -6.180 261 2HG LYS 32 1HG LYS 32 -0.207 -15.491 -4.827 262 1HD LYS 32 2HD LYS 32 -2.105 -14.280 -6.341 263 2HD LYS 32 1HD LYS 32 -0.993 -14.848 -7.588 264 1HE LYS 32 2HE LYS 32 -1.869 -16.682 -5.392 265 2HE LYS 32 1HE LYS 32 -2.917 -16.396 -6.781 266 1HZ LYS 32 1HZ LYS 32 -1.753 -18.105 -7.631 267 2HZ LYS 32 2HZ LYS 32 -0.421 -17.868 -6.616 268 3HZ LYS 32 3HZ LYS 32 -0.611 -16.914 -7.999 269 H TRP 33 H TRP 33 -0.005 -10.883 -3.010 270 HA TRP 33 HA TRP 33 2.575 -9.967 -3.716 271 1HB TRP 33 2HB TRP 33 0.287 -8.788 -2.180 272 2HB TRP 33 1HB TRP 33 1.740 -7.879 -2.555 273 HD1 TRP 33 HD TRP 33 1.577 -9.701 -5.453 274 HE1 TRP 33 1HE TRP 33 0.172 -8.628 -7.327 275 HE3 TRP 33 3HE TRP 33 -1.072 -6.442 -2.626 276 HZ2 TRP 33 2HZ TRP 33 -1.821 -6.634 -7.550 277 HZ3 TRP 33 3HZ TRP 33 -2.722 -4.971 -3.722 278 HH2 TRP 33 HH TRP 33 -3.088 -5.070 -6.136 279 H ILE 34 H ILE 34 0.967 -10.579 -0.611 280 HA ILE 34 HA ILE 34 3.285 -9.919 0.942 281 HB ILE 34 HB ILE 34 0.887 -11.495 1.872 282 1HG1 ILE 34 2HG1 ILE 34 0.160 -9.404 0.775 283 2HG1 ILE 34 1HG1 ILE 34 -0.134 -9.370 2.511 284 1HG2 ILE 34 1HG2 ILE 34 2.852 -11.452 3.356 285 2HG2 ILE 34 2HG2 ILE 34 1.458 -10.629 4.058 286 3HG2 ILE 34 3HG2 ILE 34 2.783 -9.690 3.368 287 1HD1 ILE 34 1HD1 ILE 34 0.703 -7.243 1.806 288 2HD1 ILE 34 2HD1 ILE 34 2.094 -7.999 1.029 289 3HD1 ILE 34 3HD1 ILE 34 1.933 -8.041 2.784 290 H HIS 35 H HIS 35 1.998 -12.789 -0.538 291 HA HIS 35 HA HIS 35 3.258 -14.757 0.992 292 1HB HIS 35 2HB HIS 35 1.897 -14.601 -1.560 293 2HB HIS 35 1HB HIS 35 3.253 -15.717 -1.634 294 HD1 HIS 35 1HD HIS 35 2.154 -15.956 1.721 295 HD2 HIS 35 2HD HIS 35 0.685 -17.347 -1.908 296 HE1 HIS 35 1HE HIS 35 0.610 -17.850 2.303 297 HE2 HIS 35 2HE HIS 35 -0.184 -18.743 0.087 298 H ALA 36 H ALA 36 4.458 -12.683 -1.512 299 HA ALA 36 HA ALA 36 7.089 -13.996 -1.334 300 1HB ALA 36 1HB ALA 36 7.584 -13.190 -3.528 301 2HB ALA 36 2HB ALA 36 6.117 -12.209 -3.556 302 3HB ALA 36 3HB ALA 36 6.003 -13.969 -3.580 303 H GLY 37 H GLY 37 5.525 -11.489 -0.003 304 1HA GLY 37 2HA GLY 37 6.174 -9.519 0.975 305 2HA GLY 37 1HA GLY 37 7.795 -10.194 0.952 306 H ARG 38 H ARG 38 5.734 -9.350 -1.800 307 HA ARG 38 HA ARG 38 7.853 -7.987 -3.114 308 1HB ARG 38 2HB ARG 38 5.771 -9.180 -4.114 309 2HB ARG 38 1HB ARG 38 4.962 -7.642 -3.842 310 1HG ARG 38 2HG ARG 38 7.417 -7.091 -5.136 311 2HG ARG 38 1HG ARG 38 6.640 -8.420 -5.999 312 1HD ARG 38 2HD ARG 38 4.568 -7.077 -6.121 313 2HD ARG 38 1HD ARG 38 5.415 -5.742 -5.343 314 HE ARG 38 HE ARG 38 6.436 -5.270 -7.339 315 1HH1 ARG 38 1HH1 ARG 38 5.009 -8.450 -7.521 316 2HH1 ARG 38 2HH1 ARG 38 5.304 -8.621 -9.219 317 1HH2 ARG 38 1HH2 ARG 38 6.823 -5.493 -9.572 318 2HH2 ARG 38 2HH2 ARG 38 6.334 -6.943 -10.383 319 H LYS 39 H LYS 39 8.532 -5.976 -2.824 320 HA LYS 39 HA LYS 39 7.327 -4.199 -0.995 321 1HB LYS 39 2HB LYS 39 9.708 -4.277 -2.635 322 2HB LYS 39 1HB LYS 39 8.988 -2.674 -2.667 323 1HG LYS 39 2HG LYS 39 9.010 -2.635 -0.210 324 2HG LYS 39 1HG LYS 39 9.788 -4.219 -0.209 325 1HD LYS 39 2HD LYS 39 11.776 -3.386 -1.064 326 2HD LYS 39 1HD LYS 39 11.000 -1.953 -1.742 327 1HE LYS 39 2HE LYS 39 11.973 -0.976 0.060 328 2HE LYS 39 1HE LYS 39 10.484 -1.514 0.835 329 1HZ LYS 39 1HZ LYS 39 12.125 -2.249 2.265 330 2HZ LYS 39 2HZ LYS 39 13.188 -2.674 1.019 331 3HZ LYS 39 3HZ LYS 39 11.828 -3.630 1.335 332 H ILE 40 H ILE 40 5.586 -2.984 -1.256 333 HA ILE 40 HA ILE 40 5.091 -1.690 -3.825 334 HB ILE 40 HB ILE 40 2.925 -3.254 -2.421 335 1HG1 ILE 40 2HG1 ILE 40 4.501 -3.904 -4.921 336 2HG1 ILE 40 1HG1 ILE 40 4.512 -4.805 -3.408 337 1HG2 ILE 40 1HG2 ILE 40 1.984 -1.401 -3.562 338 2HG2 ILE 40 2HG2 ILE 40 1.712 -2.815 -4.582 339 3HG2 ILE 40 3HG2 ILE 40 2.997 -1.674 -4.979 340 1HD1 ILE 40 1HD1 ILE 40 3.177 -5.924 -5.098 341 2HD1 ILE 40 2HD1 ILE 40 2.160 -4.492 -5.255 342 3HD1 ILE 40 3HD1 ILE 40 2.174 -5.401 -3.744 343 H PHE 41 H PHE 41 3.490 0.037 -3.684 344 HA PHE 41 HA PHE 41 3.035 1.011 -0.952 345 1HB PHE 41 2HB PHE 41 4.179 2.575 -3.267 346 2HB PHE 41 1HB PHE 41 3.512 3.339 -1.825 347 HD1 PHE 41 1HD PHE 41 4.583 2.904 0.389 348 HD2 PHE 41 2HD PHE 41 6.354 1.684 -3.283 349 HE1 PHE 41 1HE PHE 41 6.757 2.676 1.518 350 HE2 PHE 41 2HE PHE 41 8.532 1.452 -2.161 351 HZ PHE 41 HZ PHE 41 8.735 1.950 0.243 352 H LEU 42 H LEU 42 1.187 2.266 -0.648 353 HA LEU 42 HA LEU 42 -0.591 2.595 -2.954 354 1HB LEU 42 2HB LEU 42 -2.457 1.623 -1.854 355 2HB LEU 42 1HB LEU 42 -1.142 0.472 -1.756 356 HG LEU 42 HG LEU 42 -2.024 2.293 0.485 357 1HD1 LEU 42 1HD1 LEU 42 -3.029 -0.237 -0.443 358 2HD1 LEU 42 2HD1 LEU 42 -3.623 0.800 0.855 359 3HD1 LEU 42 3HD1 LEU 42 -2.363 -0.391 1.182 360 1HD2 LEU 42 1HD2 LEU 42 -0.557 0.315 1.614 361 2HD2 LEU 42 2HD2 LEU 42 0.079 1.902 1.177 362 3HD2 LEU 42 3HD2 LEU 42 0.295 0.533 0.086 363 H THR 43 H THR 43 -1.329 4.600 -3.048 364 HA THR 43 HA THR 43 -1.060 6.328 -0.725 365 HB THR 43 HB THR 43 -2.006 7.130 -3.471 366 HG1 THR 43 1HG THR 43 0.023 6.049 -3.601 367 1HG2 THR 43 1HG2 THR 43 -1.757 9.251 -2.848 368 2HG2 THR 43 2HG2 THR 43 -0.263 8.918 -1.970 369 3HG2 THR 43 3HG2 THR 43 -1.823 8.622 -1.201 370 H ILE 44 H ILE 44 -2.684 6.713 0.606 371 HA ILE 44 HA ILE 44 -5.388 5.948 -0.133 372 HB ILE 44 HB ILE 44 -4.445 7.109 2.489 373 1HG1 ILE 44 2HG1 ILE 44 -4.691 4.212 1.645 374 2HG1 ILE 44 1HG1 ILE 44 -3.189 5.068 1.980 375 1HG2 ILE 44 1HG2 ILE 44 -6.472 6.405 3.400 376 2HG2 ILE 44 2HG2 ILE 44 -6.810 5.321 2.050 377 3HG2 ILE 44 3HG2 ILE 44 -6.928 7.067 1.830 378 1HD1 ILE 44 1HD1 ILE 44 -5.328 4.227 3.900 379 2HD1 ILE 44 2HD1 ILE 44 -4.120 5.442 4.318 380 3HD1 ILE 44 3HD1 ILE 44 -3.615 3.805 3.897 381 H ASN 45 H ASN 45 -7.016 7.314 -0.594 382 HA ASN 45 HA ASN 45 -6.382 10.163 -0.744 383 1HB ASN 45 2HB ASN 45 -8.699 8.603 -1.910 384 2HB ASN 45 1HB ASN 45 -8.392 10.316 -2.172 385 1HD2 ASN 45 1HD2 ASN 45 -7.816 7.189 -3.250 386 2HD2 ASN 45 2HD2 ASN 45 -6.587 7.546 -4.422 387 H ALA 46 H ALA 46 -8.081 11.732 -0.163 388 HA ALA 46 HA ALA 46 -9.081 11.173 2.474 389 1HB ALA 46 1HB ALA 46 -9.324 13.427 2.714 390 2HB ALA 46 2HB ALA 46 -9.841 13.663 1.045 391 3HB ALA 46 3HB ALA 46 -8.135 13.403 1.412 392 H ASP 47 H ASP 47 -10.290 10.480 -0.525 393 HA ASP 47 HA ASP 47 -13.060 11.025 0.138 394 1HB ASP 47 2HB ASP 47 -13.250 9.782 -2.221 395 2HB ASP 47 1HB ASP 47 -12.900 11.503 -2.090 396 H GLY 48 H GLY 48 -10.790 8.472 0.235 397 1HA GLY 48 2HA GLY 48 -11.400 6.569 1.651 398 2HA GLY 48 1HA GLY 48 -12.970 6.580 0.848 399 H SER 49 H SER 49 -10.440 7.213 -1.306 400 HA SER 49 HA SER 49 -10.610 4.469 -2.321 401 1HB SER 49 2HB SER 49 -10.720 7.015 -3.576 402 2HB SER 49 1HB SER 49 -9.293 6.177 -4.167 403 HG SER 49 HG SER 49 -10.540 4.927 -5.277 404 H VAL 50 H VAL 50 -8.673 3.488 -3.227 405 HA VAL 50 HA VAL 50 -6.126 4.571 -2.327 406 HB VAL 50 HB VAL 50 -6.740 1.732 -1.578 407 1HG1 VAL 50 1HG1 VAL 50 -4.803 3.751 -0.457 408 2HG1 VAL 50 2HG1 VAL 50 -4.405 2.514 -1.649 409 3HG1 VAL 50 3HG1 VAL 50 -4.912 2.044 -0.026 410 1HG2 VAL 50 1HG2 VAL 50 -7.363 2.401 0.651 411 2HG2 VAL 50 2HG2 VAL 50 -8.445 3.180 -0.504 412 3HG2 VAL 50 3HG2 VAL 50 -7.141 4.104 0.244 413 H TYR 51 H TYR 51 -4.561 4.171 -3.767 414 HA TYR 51 HA TYR 51 -4.993 1.992 -5.704 415 1HB TYR 51 2HB TYR 51 -4.079 3.350 -7.462 416 2HB TYR 51 1HB TYR 51 -5.355 4.271 -6.675 417 HD1 TYR 51 1HD TYR 51 -1.663 3.854 -6.807 418 HD2 TYR 51 2HD TYR 51 -4.917 6.407 -5.812 419 HE1 TYR 51 1HE TYR 51 -0.090 5.711 -6.456 420 HE2 TYR 51 2HE TYR 51 -3.354 8.272 -5.458 421 HH TYR 51 HH TYR 51 -0.821 8.457 -4.834 422 H ALA 52 H ALA 52 -3.314 0.657 -6.110 423 HA ALA 52 HA ALA 52 -0.892 1.067 -4.511 424 1HB ALA 52 1HB ALA 52 -1.656 -1.039 -4.007 425 2HB ALA 52 2HB ALA 52 -0.529 -1.403 -5.315 426 3HB ALA 52 3HB ALA 52 -2.262 -1.328 -5.638 427 H GLU 53 H GLU 53 1.064 1.399 -5.390 428 HA GLU 53 HA GLU 53 1.343 1.105 -8.305 429 1HB GLU 53 2HB GLU 53 2.655 3.149 -8.390 430 2HB GLU 53 1HB GLU 53 1.067 3.481 -7.716 431 1HG GLU 53 2HG GLU 53 3.334 2.909 -5.873 432 2HG GLU 53 1HG GLU 53 3.221 4.492 -6.642 433 H GLU 54 H GLU 54 3.688 1.097 -8.986 434 HA GLU 54 HA GLU 54 5.294 -0.361 -6.990 435 1HB GLU 54 2HB GLU 54 4.337 -1.430 -9.277 436 2HB GLU 54 1HB GLU 54 5.864 -0.788 -9.863 437 1HG GLU 54 2HG GLU 54 6.507 -2.074 -7.485 438 2HG GLU 54 1HG GLU 54 5.339 -3.133 -8.272 439 H VAL 55 H VAL 55 7.715 -0.420 -7.864 440 HA VAL 55 HA VAL 55 8.515 2.156 -8.963 441 HB VAL 55 HB VAL 55 9.628 1.220 -6.318 442 1HG1 VAL 55 1HG1 VAL 55 10.752 3.331 -6.254 443 2HG1 VAL 55 2HG1 VAL 55 9.923 3.876 -7.710 444 3HG1 VAL 55 3HG1 VAL 55 11.107 2.573 -7.807 445 1HG2 VAL 55 1HG2 VAL 55 7.653 3.440 -6.842 446 2HG2 VAL 55 2HG2 VAL 55 8.381 3.041 -5.288 447 3HG2 VAL 55 3HG2 VAL 55 7.286 1.899 -6.066 448 H LYS 56 H LYS 56 9.242 0.867 -10.717 449 HA LYS 56 HA LYS 56 11.787 -0.494 -10.160 450 1HB LYS 56 2HB LYS 56 9.538 -1.854 -10.883 451 2HB LYS 56 1HB LYS 56 10.255 -1.528 -12.456 452 1HG LYS 56 2HG LYS 56 12.413 -2.407 -11.058 453 2HG LYS 56 1HG LYS 56 11.112 -3.353 -10.333 454 1HD LYS 56 2HD LYS 56 11.425 -3.121 -13.311 455 2HD LYS 56 1HD LYS 56 12.308 -4.332 -12.379 456 1HE LYS 56 2HE LYS 56 9.452 -4.210 -11.761 457 2HE LYS 56 1HE LYS 56 9.800 -4.651 -13.432 458 1HZ LYS 56 1HZ LYS 56 11.347 -5.998 -11.357 459 2HZ LYS 56 2HZ LYS 56 10.745 -6.598 -12.818 460 3HZ LYS 56 3HZ LYS 56 9.713 -6.424 -11.489 461 HA PRO 57 HA PRO 57 13.074 2.448 -13.276 462 1HB PRO 57 2HB PRO 57 15.681 1.769 -13.363 463 2HB PRO 57 1HB PRO 57 14.990 2.678 -12.014 464 1HG PRO 57 2HG PRO 57 15.607 -0.245 -12.207 465 2HG PRO 57 1HG PRO 57 15.901 0.874 -10.863 466 1HD PRO 57 2HD PRO 57 13.788 -0.840 -10.937 467 2HD PRO 57 1HD PRO 57 13.736 0.727 -10.105 468 H ASP 58 H ASP 58 12.659 2.197 -15.366 469 HA ASP 58 HA ASP 58 13.125 -0.373 -16.651 470 1HB ASP 58 2HB ASP 58 11.182 1.666 -16.930 471 2HB ASP 58 1HB ASP 58 12.073 1.606 -18.452 472 HA PRO 59 HA PRO 59 15.843 2.350 -19.454 473 1HB PRO 59 2HB PRO 59 15.975 5.003 -19.140 474 2HB PRO 59 1HB PRO 59 14.614 4.244 -19.972 475 1HG PRO 59 2HG PRO 59 14.783 5.292 -17.178 476 2HG PRO 59 1HG PRO 59 13.453 5.414 -18.343 477 1HD PRO 59 2HD PRO 59 13.587 3.570 -16.289 478 2HD PRO 59 1HD PRO 59 12.602 3.384 -17.751 479 H SER 60 H SER 60 17.101 1.101 -17.690 480 HA SER 60 HA SER 60 18.544 2.608 -15.744 481 1HB SER 60 2HB SER 60 18.592 -0.195 -16.754 482 2HB SER 60 1HB SER 60 20.028 0.393 -15.917 483 HG SER 60 HG SER 60 18.975 0.104 -14.135 484 H ASN 61 H ASN 61 19.634 0.960 -18.718 485 HA ASN 61 HA ASN 61 21.439 3.164 -19.280 486 1HB ASN 61 2HB ASN 61 22.383 0.879 -17.945 487 2HB ASN 61 1HB ASN 61 22.913 0.700 -19.615 488 1HD2 ASN 61 1HD2 ASN 61 22.755 3.113 -17.026 489 2HD2 ASN 61 2HD2 ASN 61 24.288 3.846 -17.383 490 H LYS 62 H LYS 62 20.043 3.444 -21.075 491 HA LYS 62 HA LYS 62 20.429 1.435 -23.196 492 1HB LYS 62 2HB LYS 62 18.060 1.726 -22.228 493 2HB LYS 62 1HB LYS 62 18.052 3.275 -23.059 494 1HG LYS 62 2HG LYS 62 18.175 2.265 -25.174 495 2HG LYS 62 1HG LYS 62 18.639 0.706 -24.491 496 1HD LYS 62 2HD LYS 62 16.331 0.866 -23.284 497 2HD LYS 62 1HD LYS 62 15.957 2.024 -24.563 498 1HE LYS 62 2HE LYS 62 16.175 0.422 -26.242 499 2HE LYS 62 1HE LYS 62 17.104 -0.667 -25.212 500 1HZ LYS 62 1HZ LYS 62 14.820 -0.557 -23.865 501 2HZ LYS 62 2HZ LYS 62 15.132 -1.710 -25.062 502 3HZ LYS 62 3HZ LYS 62 14.229 -0.330 -25.434 503 H LYS 63 H LYS 63 21.374 2.130 -25.003 504 HA LYS 63 HA LYS 63 21.993 4.969 -25.240 505 1HB LYS 63 2HB LYS 63 22.972 2.661 -26.929 506 2HB LYS 63 1HB LYS 63 23.613 4.299 -26.919 507 1HG LYS 63 2HG LYS 63 23.603 2.629 -24.435 508 2HG LYS 63 1HG LYS 63 24.882 2.474 -25.640 509 1HD LYS 63 2HD LYS 63 24.552 5.231 -25.198 510 2HD LYS 63 1HD LYS 63 24.528 4.472 -23.605 511 1HE LYS 63 2HE LYS 63 26.596 3.164 -24.783 512 2HE LYS 63 1HE LYS 63 26.724 4.753 -25.537 513 1HZ LYS 63 1HZ LYS 63 27.846 4.185 -23.223 514 2HZ LYS 63 2HZ LYS 63 26.339 4.691 -22.648 515 3HZ LYS 63 3HZ LYS 63 27.275 5.734 -23.593 516 H THR 64 H THR 64 21.806 6.046 -27.336 517 HA THR 64 HA THR 64 19.851 4.931 -29.185 518 HB THR 64 HB THR 64 19.421 7.665 -27.981 519 HG1 THR 64 1HG THR 64 18.041 5.268 -27.367 520 1HG2 THR 64 1HG2 THR 64 17.231 6.109 -29.196 521 2HG2 THR 64 2HG2 THR 64 18.429 6.797 -30.292 522 3HG2 THR 64 3HG2 THR 64 17.531 7.846 -29.194 523 H THR 65 H THR 65 20.226 5.514 -31.248 524 HA THR 65 HA THR 65 21.829 7.887 -31.813 525 HB THR 65 HB THR 65 22.585 5.270 -33.088 526 HG1 THR 65 1HG THR 65 23.761 6.396 -30.768 527 1HG2 THR 65 1HG2 THR 65 24.491 7.470 -32.536 528 2HG2 THR 65 2HG2 THR 65 23.341 7.667 -33.858 529 3HG2 THR 65 3HG2 THR 65 24.457 6.301 -33.855 530 H ALA 66 H ALA 66 21.554 8.720 -33.890 531 HA ALA 66 HA ALA 66 19.144 7.777 -35.238 532 1HB ALA 66 1HB ALA 66 20.743 10.299 -35.667 533 2HB ALA 66 2HB ALA 66 19.297 10.150 -34.668 534 3HB ALA 66 3HB ALA 66 19.192 9.913 -36.412 Start of MODEL 13 1 1H MET 1 1HT MET 1 7.139 11.950 3.431 2 2H MET 1 2HT MET 1 6.044 11.331 4.599 3 3H MET 1 3HT MET 1 6.809 12.847 4.855 4 HA MET 1 HA MET 1 4.681 13.352 4.199 5 1HB MET 1 2HB MET 1 6.748 13.524 2.026 6 2HB MET 1 1HB MET 1 5.135 14.175 1.770 7 1HG MET 1 2HG MET 1 5.727 15.291 4.146 8 2HG MET 1 1HG MET 1 7.338 15.171 3.441 9 1HE MET 1 1HE MET 1 6.124 17.567 4.435 10 2HE MET 1 2HE MET 1 4.609 18.028 3.661 11 3HE MET 1 3HE MET 1 6.108 18.844 3.219 12 H GLU 2 H GLU 2 3.315 13.363 1.963 13 HA GLU 2 HA GLU 2 1.849 12.195 0.676 14 1HB GLU 2 2HB GLU 2 4.329 10.537 0.494 15 2HB GLU 2 1HB GLU 2 2.833 9.907 -0.179 16 1HG GLU 2 2HG GLU 2 4.243 12.447 -0.947 17 2HG GLU 2 1HG GLU 2 4.072 10.982 -1.912 18 H GLN 3 H GLN 3 0.651 10.035 0.507 19 HA GLN 3 HA GLN 3 0.378 8.909 3.216 20 1HB GLN 3 2HB GLN 3 -1.536 10.293 2.026 21 2HB GLN 3 1HB GLN 3 -1.842 8.761 1.222 22 1HG GLN 3 2HG GLN 3 -2.828 7.905 3.017 23 2HG GLN 3 1HG GLN 3 -1.531 8.443 4.083 24 1HE2 GLN 3 1HE2 GLN 3 -1.550 10.910 4.407 25 2HE2 GLN 3 2HE2 GLN 3 -3.101 11.598 4.776 26 H ARG 4 H ARG 4 2.232 7.928 1.324 27 HA ARG 4 HA ARG 4 1.033 5.424 0.373 28 1HB ARG 4 2HB ARG 4 3.286 5.144 -0.762 29 2HB ARG 4 1HB ARG 4 2.284 6.467 -1.343 30 1HG ARG 4 2HG ARG 4 3.594 8.067 -0.118 31 2HG ARG 4 1HG ARG 4 4.533 6.776 0.635 32 1HD ARG 4 2HD ARG 4 4.855 6.198 -1.999 33 2HD ARG 4 1HD ARG 4 4.746 7.957 -2.047 34 HE ARG 4 HE ARG 4 6.893 6.378 -0.966 35 1HH1 ARG 4 1HH1 ARG 4 5.299 9.483 -0.893 36 2HH1 ARG 4 2HH1 ARG 4 6.696 10.326 -0.313 37 1HH2 ARG 4 1HH2 ARG 4 8.731 7.486 -0.203 38 2HH2 ARG 4 2HH2 ARG 4 8.645 9.194 0.077 39 H ILE 5 H ILE 5 0.993 3.893 1.831 40 HA ILE 5 HA ILE 5 3.288 3.566 3.640 41 HB ILE 5 HB ILE 5 0.829 1.969 4.067 42 1HG1 ILE 5 2HG1 ILE 5 0.932 4.927 4.667 43 2HG1 ILE 5 1HG1 ILE 5 -0.100 4.148 3.475 44 1HG2 ILE 5 1HG2 ILE 5 3.110 2.924 5.573 45 2HG2 ILE 5 2HG2 ILE 5 2.009 1.591 5.918 46 3HG2 ILE 5 3HG2 ILE 5 1.593 3.229 6.419 47 1HD1 ILE 5 1HD1 ILE 5 -0.542 4.548 6.270 48 2HD1 ILE 5 2HD1 ILE 5 -0.594 2.827 5.889 49 3HD1 ILE 5 3HD1 ILE 5 -1.651 3.951 5.036 50 H THR 6 H THR 6 3.096 0.980 4.343 51 HA THR 6 HA THR 6 3.893 -0.377 1.890 52 HB THR 6 HB THR 6 4.663 -2.175 3.491 53 HG1 THR 6 1HG THR 6 3.192 -1.388 5.192 54 1HG2 THR 6 1HG2 THR 6 5.739 0.593 3.525 55 2HG2 THR 6 2HG2 THR 6 6.456 -0.895 2.907 56 3HG2 THR 6 3HG2 THR 6 6.402 -0.598 4.645 57 H LEU 7 H LEU 7 3.124 -2.494 1.347 58 HA LEU 7 HA LEU 7 0.313 -2.745 1.524 59 1HB LEU 7 2HB LEU 7 1.553 -3.603 -0.379 60 2HB LEU 7 1HB LEU 7 2.413 -4.730 0.651 61 HG LEU 7 HG LEU 7 0.322 -5.931 1.101 62 1HD1 LEU 7 1HD1 LEU 7 -1.236 -4.079 0.903 63 2HD1 LEU 7 2HD1 LEU 7 -1.695 -5.393 -0.181 64 3HD1 LEU 7 3HD1 LEU 7 -0.898 -3.957 -0.823 65 1HD2 LEU 7 1HD2 LEU 7 0.134 -7.006 -1.004 66 2HD2 LEU 7 2HD2 LEU 7 1.806 -6.466 -0.860 67 3HD2 LEU 7 3HD2 LEU 7 0.673 -5.565 -1.866 68 H LYS 8 H LYS 8 2.975 -4.265 3.260 69 HA LYS 8 HA LYS 8 1.493 -6.254 4.581 70 1HB LYS 8 2HB LYS 8 4.032 -6.018 4.405 71 2HB LYS 8 1HB LYS 8 3.911 -4.871 5.733 72 1HG LYS 8 2HG LYS 8 3.194 -6.510 7.237 73 2HG LYS 8 1HG LYS 8 2.781 -7.638 5.946 74 1HD LYS 8 2HD LYS 8 5.598 -6.767 6.052 75 2HD LYS 8 1HD LYS 8 5.051 -7.781 7.389 76 1HE LYS 8 2HE LYS 8 4.371 -9.511 5.883 77 2HE LYS 8 1HE LYS 8 4.654 -8.476 4.485 78 1HZ LYS 8 1HZ LYS 8 7.059 -8.430 5.576 79 2HZ LYS 8 2HZ LYS 8 6.589 -9.611 4.459 80 3HZ LYS 8 3HZ LYS 8 6.560 -9.954 6.116 81 H ASP 9 H ASP 9 2.682 -3.155 5.890 82 HA ASP 9 HA ASP 9 1.397 -3.176 8.317 83 1HB ASP 9 2HB ASP 9 1.900 -0.798 6.516 84 2HB ASP 9 1HB ASP 9 1.500 -0.694 8.226 85 H TYR 10 H TYR 10 0.083 -2.415 5.165 86 HA TYR 10 HA TYR 10 -2.339 -1.244 5.978 87 1HB TYR 10 2HB TYR 10 -1.227 -1.423 3.624 88 2HB TYR 10 1HB TYR 10 -2.129 -2.931 3.505 89 HD1 TYR 10 1HD TYR 10 -4.708 -2.522 4.460 90 HD2 TYR 10 2HD TYR 10 -2.212 0.320 2.521 91 HE1 TYR 10 1HE TYR 10 -6.702 -1.271 3.741 92 HE2 TYR 10 2HE TYR 10 -4.192 1.579 1.794 93 HH TYR 10 HH TYR 10 -7.188 0.402 1.703 94 H ALA 11 H ALA 11 -1.516 -4.608 5.195 95 HA ALA 11 HA ALA 11 -4.115 -5.638 5.663 96 1HB ALA 11 1HB ALA 11 -1.407 -6.935 5.510 97 2HB ALA 11 2HB ALA 11 -2.685 -6.921 4.294 98 3HB ALA 11 3HB ALA 11 -2.891 -7.851 5.779 99 H MET 12 H MET 12 -1.380 -4.999 7.734 100 HA MET 12 HA MET 12 -2.477 -6.495 9.931 101 1HB MET 12 2HB MET 12 0.069 -5.250 9.287 102 2HB MET 12 1HB MET 12 -0.418 -4.944 10.947 103 1HG MET 12 2HG MET 12 -0.802 -7.441 11.144 104 2HG MET 12 1HG MET 12 0.047 -7.586 9.606 105 1HE MET 12 1HE MET 12 3.052 -8.012 9.894 106 2HE MET 12 2HE MET 12 3.474 -6.322 10.173 107 3HE MET 12 3HE MET 12 2.147 -6.732 9.085 108 H ARG 13 H ARG 13 -2.429 -3.231 8.806 109 HA ARG 13 HA ARG 13 -3.404 -2.178 11.334 110 1HB ARG 13 2HB ARG 13 -1.754 -1.010 9.706 111 2HB ARG 13 1HB ARG 13 -3.204 -0.588 8.796 112 1HG ARG 13 2HG ARG 13 -3.935 0.170 11.289 113 2HG ARG 13 1HG ARG 13 -2.190 0.464 11.343 114 1HD ARG 13 2HD ARG 13 -4.041 1.488 9.192 115 2HD ARG 13 1HD ARG 13 -3.517 2.426 10.589 116 HE ARG 13 HE ARG 13 -1.993 1.833 8.228 117 1HH1 ARG 13 1HH1 ARG 13 -1.811 2.668 11.611 118 2HH1 ARG 13 2HH1 ARG 13 -0.227 3.359 11.484 119 1HH2 ARG 13 1HH2 ARG 13 0.088 2.741 8.058 120 2HH2 ARG 13 2HH2 ARG 13 0.851 3.401 9.467 121 H PHE 14 H PHE 14 -4.549 -1.706 7.988 122 HA PHE 14 HA PHE 14 -7.227 -1.279 8.888 123 1HB PHE 14 2HB PHE 14 -6.149 -1.553 6.081 124 2HB PHE 14 1HB PHE 14 -7.678 -0.842 6.559 125 HD1 PHE 14 1HD PHE 14 -7.715 1.313 7.780 126 HD2 PHE 14 2HD PHE 14 -4.127 -0.302 6.200 127 HE1 PHE 14 1HE PHE 14 -6.646 3.496 7.990 128 HE2 PHE 14 2HE PHE 14 -3.049 1.875 6.406 129 HZ PHE 14 HZ PHE 14 -4.319 3.760 7.301 130 H GLY 15 H GLY 15 -5.508 -3.809 7.092 131 1HA GLY 15 2HA GLY 15 -6.184 -6.123 7.537 132 2HA GLY 15 1HA GLY 15 -7.848 -5.559 7.532 133 H GLN 16 H GLN 16 -6.285 -7.581 5.894 134 HA GLN 16 HA GLN 16 -5.926 -6.763 3.276 135 1HB GLN 16 2HB GLN 16 -6.761 -9.392 4.468 136 2HB GLN 16 1HB GLN 16 -6.594 -9.198 2.729 137 1HG GLN 16 2HG GLN 16 -4.327 -9.019 2.822 138 2HG GLN 16 1HG GLN 16 -4.337 -8.333 4.446 139 1HE2 GLN 16 1HE2 GLN 16 -2.761 -9.754 5.166 140 2HE2 GLN 16 2HE2 GLN 16 -3.093 -11.433 5.458 141 H THR 17 H THR 17 -8.887 -7.417 4.998 142 HA THR 17 HA THR 17 -10.610 -7.705 2.793 143 HB THR 17 HB THR 17 -11.220 -6.617 5.549 144 HG1 THR 17 1HG THR 17 -10.290 -8.790 5.370 145 1HG2 THR 17 1HG2 THR 17 -12.960 -6.299 3.689 146 2HG2 THR 17 2HG2 THR 17 -13.460 -7.033 5.213 147 3HG2 THR 17 3HG2 THR 17 -13.170 -8.048 3.801 148 H LYS 18 H LYS 18 -9.760 -4.846 4.727 149 HA LYS 18 HA LYS 18 -11.320 -3.075 3.102 150 1HB LYS 18 2HB LYS 18 -10.370 -2.913 5.622 151 2HB LYS 18 1HB LYS 18 -9.156 -1.961 4.784 152 1HG LYS 18 2HG LYS 18 -11.770 -1.192 3.899 153 2HG LYS 18 1HG LYS 18 -11.680 -1.134 5.660 154 1HD LYS 18 2HD LYS 18 -9.324 0.021 4.997 155 2HD LYS 18 1HD LYS 18 -10.330 0.524 3.639 156 1HE LYS 18 2HE LYS 18 -11.020 0.898 6.551 157 2HE LYS 18 1HE LYS 18 -10.350 2.144 5.504 158 1HZ LYS 18 1HZ LYS 18 -12.300 2.049 4.129 159 2HZ LYS 18 2HZ LYS 18 -12.770 2.289 5.733 160 3HZ LYS 18 3HZ LYS 18 -12.930 0.761 5.025 161 H THR 19 H THR 19 -8.334 -4.547 2.640 162 HA THR 19 HA THR 19 -7.139 -2.345 1.176 163 HB THR 19 HB THR 19 -6.038 -5.118 1.074 164 HG1 THR 19 1HG THR 19 -6.173 -3.483 3.368 165 1HG2 THR 19 1HG2 THR 19 -4.851 -2.371 1.291 166 2HG2 THR 19 2HG2 THR 19 -4.701 -3.529 -0.033 167 3HG2 THR 19 3HG2 THR 19 -3.912 -3.848 1.511 168 H ALA 20 H ALA 20 -8.767 -5.389 0.524 169 HA ALA 20 HA ALA 20 -8.302 -5.171 -2.332 170 1HB ALA 20 1HB ALA 20 -8.891 -7.343 -2.470 171 2HB ALA 20 2HB ALA 20 -10.230 -7.165 -1.336 172 3HB ALA 20 3HB ALA 20 -8.579 -7.317 -0.734 173 H LYS 21 H LYS 21 -10.890 -4.634 -0.028 174 HA LYS 21 HA LYS 21 -12.940 -4.322 -1.988 175 1HB LYS 21 2HB LYS 21 -12.710 -4.155 0.920 176 2HB LYS 21 1HB LYS 21 -13.810 -2.962 0.255 177 1HG LYS 21 2HG LYS 21 -14.570 -5.218 -1.076 178 2HG LYS 21 1HG LYS 21 -14.090 -5.862 0.497 179 1HD LYS 21 2HD LYS 21 -15.740 -4.718 1.616 180 2HD LYS 21 1HD LYS 21 -15.820 -3.436 0.404 181 1HE LYS 21 2HE LYS 21 -16.890 -5.011 -1.156 182 2HE LYS 21 1HE LYS 21 -16.840 -6.258 0.088 183 1HZ LYS 21 1HZ LYS 21 -18.570 -3.917 -0.132 184 2HZ LYS 21 2HZ LYS 21 -18.090 -4.376 1.426 185 3HZ LYS 21 3HZ LYS 21 -18.920 -5.471 0.436 186 H ASP 22 H ASP 22 -10.610 -2.206 -0.496 187 HA ASP 22 HA ASP 22 -11.860 0.248 -1.189 188 1HB ASP 22 2HB ASP 22 -9.297 -0.616 -0.055 189 2HB ASP 22 1HB ASP 22 -9.195 0.855 -1.024 190 H LEU 23 H LEU 23 -9.748 -1.961 -2.868 191 HA LEU 23 HA LEU 23 -9.470 -0.072 -5.094 192 1HB LEU 23 2HB LEU 23 -7.972 -2.494 -4.210 193 2HB LEU 23 1HB LEU 23 -7.960 -2.079 -5.914 194 HG LEU 23 HG LEU 23 -7.326 0.322 -4.778 195 1HD1 LEU 23 1HD1 LEU 23 -7.186 -0.582 -2.545 196 2HD1 LEU 23 2HD1 LEU 23 -5.573 -0.149 -3.113 197 3HD1 LEU 23 3HD1 LEU 23 -6.076 -1.839 -3.090 198 1HD2 LEU 23 1HD2 LEU 23 -5.121 -1.604 -5.310 199 2HD2 LEU 23 2HD2 LEU 23 -5.318 0.065 -5.844 200 3HD2 LEU 23 3HD2 LEU 23 -6.244 -1.222 -6.616 201 H GLY 24 H GLY 24 -10.780 -3.217 -4.244 202 1HA GLY 24 2HA GLY 24 -12.780 -3.992 -5.322 203 2HA GLY 24 1HA GLY 24 -12.250 -3.195 -6.794 204 H VAL 25 H VAL 25 -10.060 -5.085 -4.852 205 HA VAL 25 HA VAL 25 -10.060 -7.155 -6.953 206 HB VAL 25 HB VAL 25 -7.673 -7.558 -6.283 207 1HG1 VAL 25 1HG1 VAL 25 -6.813 -5.571 -7.519 208 2HG1 VAL 25 2HG1 VAL 25 -8.438 -4.890 -7.458 209 3HG1 VAL 25 3HG1 VAL 25 -8.146 -6.399 -8.324 210 1HG2 VAL 25 1HG2 VAL 25 -8.219 -6.016 -4.136 211 2HG2 VAL 25 2HG2 VAL 25 -7.459 -4.830 -5.194 212 3HG2 VAL 25 3HG2 VAL 25 -6.594 -6.302 -4.753 213 H GLN 26 H GLN 26 -8.759 -9.175 -5.964 214 HA GLN 26 HA GLN 26 -10.350 -10.009 -3.674 215 1HB GLN 26 2HB GLN 26 -8.548 -11.651 -5.453 216 2HB GLN 26 1HB GLN 26 -9.669 -12.275 -4.252 217 1HG GLN 26 2HG GLN 26 -10.890 -12.571 -6.150 218 2HG GLN 26 1HG GLN 26 -11.430 -10.965 -5.672 219 1HE2 GLN 26 1HE2 GLN 26 -8.683 -12.341 -7.449 220 2HE2 GLN 26 2HE2 GLN 26 -8.787 -11.254 -8.789 221 H GLN 27 H GLN 27 -9.493 -10.794 -1.783 222 HA GLN 27 HA GLN 27 -7.195 -9.596 -0.786 223 1HB GLN 27 2HB GLN 27 -8.338 -12.180 0.263 224 2HB GLN 27 1HB GLN 27 -7.471 -10.944 1.163 225 1HG GLN 27 2HG GLN 27 -9.354 -9.888 1.629 226 2HG GLN 27 1HG GLN 27 -9.768 -9.782 -0.081 227 1HE2 GLN 27 1HE2 GLN 27 -10.120 -12.388 -0.757 228 2HE2 GLN 27 2HE2 GLN 27 -11.460 -13.052 0.111 229 H SER 28 H SER 28 -7.541 -12.461 -2.656 230 HA SER 28 HA SER 28 -5.200 -13.826 -1.919 231 1HB SER 28 2HB SER 28 -5.456 -14.614 -4.460 232 2HB SER 28 1HB SER 28 -6.533 -15.191 -3.190 233 HG SER 28 HG SER 28 -8.126 -14.152 -4.085 234 H ALA 29 H ALA 29 -5.791 -11.210 -4.187 235 HA ALA 29 HA ALA 29 -3.323 -11.273 -5.532 236 1HB ALA 29 1HB ALA 29 -4.056 -9.430 -6.606 237 2HB ALA 29 2HB ALA 29 -4.547 -8.624 -5.115 238 3HB ALA 29 3HB ALA 29 -5.590 -9.849 -5.840 239 H ILE 30 H ILE 30 -4.351 -9.571 -2.600 240 HA ILE 30 HA ILE 30 -1.956 -8.122 -2.222 241 HB ILE 30 HB ILE 30 -4.138 -8.944 -0.310 242 1HG1 ILE 30 2HG1 ILE 30 -4.645 -6.526 -0.346 243 2HG1 ILE 30 1HG1 ILE 30 -3.320 -6.274 -1.478 244 1HG2 ILE 30 1HG2 ILE 30 -2.411 -8.780 1.208 245 2HG2 ILE 30 2HG2 ILE 30 -2.990 -7.114 1.159 246 3HG2 ILE 30 3HG2 ILE 30 -1.546 -7.574 0.256 247 1HD1 ILE 30 1HD1 ILE 30 -4.444 -7.373 -3.206 248 2HD1 ILE 30 2HD1 ILE 30 -5.672 -6.378 -2.422 249 3HD1 ILE 30 3HD1 ILE 30 -5.602 -8.110 -2.099 250 H ASN 31 H ASN 31 -2.952 -11.364 -1.385 251 HA ASN 31 HA ASN 31 -0.838 -11.907 0.426 252 1HB ASN 31 2HB ASN 31 -3.148 -13.178 -0.185 253 2HB ASN 31 1HB ASN 31 -2.002 -14.167 -1.086 254 1HD2 ASN 31 1HD2 ASN 31 0.117 -14.478 0.339 255 2HD2 ASN 31 2HD2 ASN 31 -0.211 -15.115 1.921 256 H LYS 32 H LYS 32 -1.309 -12.441 -3.035 257 HA LYS 32 HA LYS 32 1.146 -13.825 -3.407 258 1HB LYS 32 2HB LYS 32 -0.509 -12.392 -5.484 259 2HB LYS 32 1HB LYS 32 0.689 -13.645 -5.776 260 1HG LYS 32 2HG LYS 32 -1.651 -14.240 -4.030 261 2HG LYS 32 1HG LYS 32 -1.850 -14.219 -5.783 262 1HD LYS 32 2HD LYS 32 -1.236 -16.384 -5.619 263 2HD LYS 32 1HD LYS 32 0.394 -15.708 -5.563 264 1HE LYS 32 2HE LYS 32 0.231 -15.674 -3.083 265 2HE LYS 32 1HE LYS 32 -1.327 -16.489 -3.212 266 1HZ LYS 32 1HZ LYS 32 0.466 -18.052 -2.778 267 2HZ LYS 32 2HZ LYS 32 1.266 -17.564 -4.186 268 3HZ LYS 32 3HZ LYS 32 -0.229 -18.347 -4.292 269 H TRP 33 H TRP 33 0.223 -10.497 -3.321 270 HA TRP 33 HA TRP 33 2.348 -9.398 -4.794 271 1HB TRP 33 2HB TRP 33 0.489 -8.373 -2.689 272 2HB TRP 33 1HB TRP 33 1.708 -7.335 -3.410 273 HD1 TRP 33 HD TRP 33 0.939 -9.227 -6.193 274 HE1 TRP 33 1HE TRP 33 -0.982 -8.269 -7.628 275 HE3 TRP 33 3HE TRP 33 -1.103 -6.135 -2.744 276 HZ2 TRP 33 2HZ TRP 33 -3.100 -6.428 -7.301 277 HZ3 TRP 33 3HZ TRP 33 -3.083 -4.795 -3.354 278 HH2 TRP 33 HH TRP 33 -4.063 -4.946 -5.590 279 H ILE 34 H ILE 34 1.922 -10.011 -1.320 280 HA ILE 34 HA ILE 34 4.603 -9.071 -0.734 281 HB ILE 34 HB ILE 34 2.703 -10.433 1.169 282 1HG1 ILE 34 2HG1 ILE 34 2.946 -7.485 0.530 283 2HG1 ILE 34 1HG1 ILE 34 1.574 -8.514 0.132 284 1HG2 ILE 34 1HG2 ILE 34 5.313 -9.805 1.512 285 2HG2 ILE 34 2HG2 ILE 34 4.130 -9.880 2.818 286 3HG2 ILE 34 3HG2 ILE 34 4.537 -8.328 2.086 287 1HD1 ILE 34 1HD1 ILE 34 2.115 -8.702 2.928 288 2HD1 ILE 34 2HD1 ILE 34 0.668 -8.119 2.106 289 3HD1 ILE 34 3HD1 ILE 34 1.990 -7.007 2.458 290 H HIS 35 H HIS 35 2.960 -12.072 -1.307 291 HA HIS 35 HA HIS 35 4.718 -13.844 -0.035 292 1HB HIS 35 2HB HIS 35 2.587 -14.006 -2.040 293 2HB HIS 35 1HB HIS 35 3.822 -15.245 -2.221 294 HD1 HIS 35 1HD HIS 35 3.275 -14.241 1.263 295 HD2 HIS 35 2HD HIS 35 1.715 -17.030 -1.392 296 HE1 HIS 35 1HE HIS 35 2.028 -15.899 2.686 297 HE2 HIS 35 2HE HIS 35 1.008 -17.519 1.050 298 H ALA 36 H ALA 36 4.780 -12.355 -3.187 299 HA ALA 36 HA ALA 36 7.218 -13.778 -3.915 300 1HB ALA 36 1HB ALA 36 5.204 -13.333 -5.469 301 2HB ALA 36 2HB ALA 36 6.836 -13.137 -6.106 302 3HB ALA 36 3HB ALA 36 5.897 -11.720 -5.636 303 H GLY 37 H GLY 37 6.522 -11.070 -2.169 304 1HA GLY 37 2HA GLY 37 7.971 -9.468 -1.340 305 2HA GLY 37 1HA GLY 37 9.213 -10.086 -2.419 306 H ARG 38 H ARG 38 6.097 -9.152 -3.657 307 HA ARG 38 HA ARG 38 7.288 -7.258 -5.431 308 1HB ARG 38 2HB ARG 38 5.294 -8.658 -5.991 309 2HB ARG 38 1HB ARG 38 4.351 -7.694 -4.862 310 1HG ARG 38 2HG ARG 38 4.238 -5.917 -6.255 311 2HG ARG 38 1HG ARG 38 5.833 -6.216 -6.946 312 1HD ARG 38 2HD ARG 38 4.874 -8.164 -8.160 313 2HD ARG 38 1HD ARG 38 3.283 -7.703 -7.557 314 HE ARG 38 HE ARG 38 4.530 -5.528 -8.881 315 1HH1 ARG 38 1HH1 ARG 38 2.897 -8.551 -9.491 316 2HH1 ARG 38 2HH1 ARG 38 2.324 -8.070 -11.051 317 1HH2 ARG 38 1HH2 ARG 38 3.777 -4.893 -10.935 318 2HH2 ARG 38 2HH2 ARG 38 2.822 -5.994 -11.871 319 H LYS 39 H LYS 39 8.160 -5.528 -4.398 320 HA LYS 39 HA LYS 39 7.129 -4.201 -2.176 321 1HB LYS 39 2HB LYS 39 8.574 -2.303 -2.881 322 2HB LYS 39 1HB LYS 39 9.410 -3.850 -2.866 323 1HG LYS 39 2HG LYS 39 8.506 -3.716 -5.440 324 2HG LYS 39 1HG LYS 39 8.870 -2.027 -5.079 325 1HD LYS 39 2HD LYS 39 10.971 -2.578 -5.650 326 2HD LYS 39 1HD LYS 39 11.048 -3.291 -4.038 327 1HE LYS 39 2HE LYS 39 10.612 -5.456 -4.864 328 2HE LYS 39 1HE LYS 39 10.091 -4.836 -6.431 329 1HZ LYS 39 1HZ LYS 39 12.862 -4.663 -5.374 330 2HZ LYS 39 2HZ LYS 39 12.342 -4.173 -6.908 331 3HZ LYS 39 3HZ LYS 39 12.323 -5.813 -6.493 332 H ILE 40 H ILE 40 5.237 -3.223 -1.980 333 HA ILE 40 HA ILE 40 4.352 -1.416 -4.111 334 HB ILE 40 HB ILE 40 2.601 -3.503 -2.805 335 1HG1 ILE 40 2HG1 ILE 40 3.562 -3.083 -5.639 336 2HG1 ILE 40 1HG1 ILE 40 3.878 -4.465 -4.593 337 1HG2 ILE 40 1HG2 ILE 40 0.786 -2.575 -4.189 338 2HG2 ILE 40 2HG2 ILE 40 1.857 -1.266 -4.687 339 3HG2 ILE 40 3HG2 ILE 40 1.379 -1.421 -2.997 340 1HD1 ILE 40 1HD1 ILE 40 2.248 -5.043 -6.265 341 2HD1 ILE 40 2HD1 ILE 40 1.228 -3.688 -5.782 342 3HD1 ILE 40 3HD1 ILE 40 1.488 -5.034 -4.673 343 H PHE 41 H PHE 41 3.014 0.291 -3.419 344 HA PHE 41 HA PHE 41 2.761 0.610 -0.506 345 1HB PHE 41 2HB PHE 41 4.161 2.366 -2.444 346 2HB PHE 41 1HB PHE 41 3.160 3.177 -1.244 347 HD1 PHE 41 1HD PHE 41 5.483 0.245 -1.162 348 HD2 PHE 41 2HD PHE 41 4.408 4.025 0.464 349 HE1 PHE 41 1HE PHE 41 7.294 0.045 0.489 350 HE2 PHE 41 2HE PHE 41 6.218 3.834 2.118 351 HZ PHE 41 HZ PHE 41 7.665 1.840 2.132 352 H LEU 42 H LEU 42 0.721 0.983 0.055 353 HA LEU 42 HA LEU 42 -1.232 1.708 -1.952 354 1HB LEU 42 2HB LEU 42 -1.340 0.820 0.900 355 2HB LEU 42 1HB LEU 42 -2.748 1.580 0.180 356 HG LEU 42 HG LEU 42 -1.910 -0.392 -1.642 357 1HD1 LEU 42 1HD1 LEU 42 -0.700 -1.733 -0.262 358 2HD1 LEU 42 2HD1 LEU 42 -2.315 -2.350 0.089 359 3HD1 LEU 42 3HD1 LEU 42 -1.552 -1.200 1.187 360 1HD2 LEU 42 1HD2 LEU 42 -4.135 -0.354 -1.693 361 2HD2 LEU 42 2HD2 LEU 42 -4.238 0.311 -0.064 362 3HD2 LEU 42 3HD2 LEU 42 -4.087 -1.430 -0.296 363 H THR 43 H THR 43 -1.640 3.748 -2.442 364 HA THR 43 HA THR 43 -1.160 5.824 -0.423 365 HB THR 43 HB THR 43 -1.604 6.187 -3.388 366 HG1 THR 43 1HG THR 43 0.673 6.391 -3.476 367 1HG2 THR 43 1HG2 THR 43 -0.835 8.014 -1.178 368 2HG2 THR 43 2HG2 THR 43 -1.884 8.294 -2.568 369 3HG2 THR 43 3HG2 THR 43 -0.133 8.264 -2.776 370 H ILE 44 H ILE 44 -2.926 6.271 0.724 371 HA ILE 44 HA ILE 44 -5.574 5.936 -0.355 372 HB ILE 44 HB ILE 44 -4.798 7.201 2.274 373 1HG1 ILE 44 2HG1 ILE 44 -5.765 4.412 2.230 374 2HG1 ILE 44 1HG1 ILE 44 -4.158 4.651 1.555 375 1HG2 ILE 44 1HG2 ILE 44 -7.013 6.857 2.957 376 2HG2 ILE 44 2HG2 ILE 44 -7.350 5.765 1.614 377 3HG2 ILE 44 3HG2 ILE 44 -7.146 7.491 1.317 378 1HD1 ILE 44 1HD1 ILE 44 -3.399 5.646 3.613 379 2HD1 ILE 44 2HD1 ILE 44 -4.124 4.072 3.940 380 3HD1 ILE 44 3HD1 ILE 44 -5.024 5.547 4.292 381 H ASN 45 H ASN 45 -6.659 7.409 -1.466 382 HA ASN 45 HA ASN 45 -5.667 10.107 -1.700 383 1HB ASN 45 2HB ASN 45 -7.993 8.651 -2.957 384 2HB ASN 45 1HB ASN 45 -7.658 10.354 -3.259 385 1HD2 ASN 45 1HD2 ASN 45 -7.712 8.428 -5.260 386 2HD2 ASN 45 2HD2 ASN 45 -6.109 8.258 -5.908 387 H ALA 46 H ALA 46 -7.378 11.918 -1.687 388 HA ALA 46 HA ALA 46 -8.402 12.099 0.969 389 1HB ALA 46 1HB ALA 46 -9.150 14.327 0.316 390 2HB ALA 46 2HB ALA 46 -8.798 13.958 -1.372 391 3HB ALA 46 3HB ALA 46 -7.487 14.041 -0.195 392 H ASP 47 H ASP 47 -9.665 10.703 -1.811 393 HA ASP 47 HA ASP 47 -12.430 11.193 -0.991 394 1HB ASP 47 2HB ASP 47 -12.620 9.753 -3.311 395 2HB ASP 47 1HB ASP 47 -12.660 11.513 -3.212 396 H GLY 48 H GLY 48 -9.972 8.819 -0.975 397 1HA GLY 48 2HA GLY 48 -10.380 6.959 0.591 398 2HA GLY 48 1HA GLY 48 -11.960 6.789 -0.165 399 H SER 49 H SER 49 -9.702 7.525 -2.516 400 HA SER 49 HA SER 49 -9.743 4.802 -3.492 401 1HB SER 49 2HB SER 49 -9.576 7.385 -4.663 402 2HB SER 49 1HB SER 49 -8.156 6.469 -5.155 403 HG SER 49 HG SER 49 -10.820 5.529 -5.349 404 H VAL 50 H VAL 50 -8.100 3.391 -3.442 405 HA VAL 50 HA VAL 50 -5.495 4.369 -2.470 406 HB VAL 50 HB VAL 50 -6.126 1.501 -2.110 407 1HG1 VAL 50 1HG1 VAL 50 -4.085 2.048 -1.223 408 2HG1 VAL 50 2HG1 VAL 50 -5.115 2.232 0.196 409 3HG1 VAL 50 3HG1 VAL 50 -4.611 3.653 -0.717 410 1HG2 VAL 50 1HG2 VAL 50 -7.425 1.859 -0.083 411 2HG2 VAL 50 2HG2 VAL 50 -8.260 2.544 -1.477 412 3HG2 VAL 50 3HG2 VAL 50 -7.403 3.602 -0.356 413 H TYR 51 H TYR 51 -4.348 4.577 -4.326 414 HA TYR 51 HA TYR 51 -4.428 2.436 -6.304 415 1HB TYR 51 2HB TYR 51 -3.180 3.917 -7.742 416 2HB TYR 51 1HB TYR 51 -4.505 4.823 -7.023 417 HD1 TYR 51 1HD TYR 51 -0.855 4.193 -6.759 418 HD2 TYR 51 2HD TYR 51 -4.088 6.787 -5.799 419 HE1 TYR 51 1HE TYR 51 0.745 5.887 -5.975 420 HE2 TYR 51 2HE TYR 51 -2.497 8.489 -5.015 421 HH TYR 51 HH TYR 51 -0.135 9.101 -5.360 422 H ALA 52 H ALA 52 -2.872 0.960 -6.588 423 HA ALA 52 HA ALA 52 -0.708 0.879 -4.654 424 1HB ALA 52 1HB ALA 52 -0.487 -1.383 -5.157 425 2HB ALA 52 2HB ALA 52 -1.194 -1.194 -6.760 426 3HB ALA 52 3HB ALA 52 -2.218 -1.092 -5.328 427 H GLU 53 H GLU 53 1.392 1.211 -5.070 428 HA GLU 53 HA GLU 53 2.178 1.671 -7.873 429 1HB GLU 53 2HB GLU 53 3.748 3.362 -7.098 430 2HB GLU 53 1HB GLU 53 2.119 3.762 -6.574 431 1HG GLU 53 2HG GLU 53 2.585 3.411 -4.373 432 2HG GLU 53 1HG GLU 53 3.839 2.222 -4.713 433 H GLU 54 H GLU 54 4.689 1.578 -8.054 434 HA GLU 54 HA GLU 54 5.628 -0.777 -6.550 435 1HB GLU 54 2HB GLU 54 5.083 -0.809 -9.188 436 2HB GLU 54 1HB GLU 54 6.755 -0.265 -9.243 437 1HG GLU 54 2HG GLU 54 6.798 -2.378 -7.458 438 2HG GLU 54 1HG GLU 54 5.674 -2.896 -8.714 439 H VAL 55 H VAL 55 7.523 -0.597 -5.531 440 HA VAL 55 HA VAL 55 8.925 1.934 -5.642 441 HB VAL 55 HB VAL 55 9.601 -0.498 -3.986 442 1HG1 VAL 55 1HG1 VAL 55 11.461 0.785 -3.747 443 2HG1 VAL 55 2HG1 VAL 55 10.450 1.564 -2.530 444 3HG1 VAL 55 3HG1 VAL 55 10.613 2.282 -4.133 445 1HG2 VAL 55 1HG2 VAL 55 8.267 1.769 -2.684 446 2HG2 VAL 55 2HG2 VAL 55 8.034 0.036 -2.465 447 3HG2 VAL 55 3HG2 VAL 55 7.256 0.865 -3.812 448 H LYS 56 H LYS 56 11.158 2.168 -6.075 449 HA LYS 56 HA LYS 56 12.091 0.465 -8.201 450 1HB LYS 56 2HB LYS 56 12.358 2.987 -8.108 451 2HB LYS 56 1HB LYS 56 13.596 2.727 -6.887 452 1HG LYS 56 2HG LYS 56 14.740 1.231 -8.603 453 2HG LYS 56 1HG LYS 56 13.632 1.940 -9.781 454 1HD LYS 56 2HD LYS 56 15.487 3.523 -8.003 455 2HD LYS 56 1HD LYS 56 15.838 3.080 -9.676 456 1HE LYS 56 2HE LYS 56 13.347 4.579 -8.931 457 2HE LYS 56 1HE LYS 56 14.872 5.412 -9.224 458 1HZ LYS 56 1HZ LYS 56 13.644 5.390 -11.242 459 2HZ LYS 56 2HZ LYS 56 13.353 3.728 -11.136 460 3HZ LYS 56 3HZ LYS 56 14.920 4.293 -11.429 461 HA PRO 57 HA PRO 57 14.510 -2.181 -5.569 462 1HB PRO 57 2HB PRO 57 15.990 -3.410 -7.465 463 2HB PRO 57 1HB PRO 57 14.272 -3.753 -7.238 464 1HG PRO 57 2HG PRO 57 15.599 -1.988 -9.259 465 2HG PRO 57 1HG PRO 57 14.273 -3.144 -9.482 466 1HD PRO 57 2HD PRO 57 13.878 -0.464 -9.238 467 2HD PRO 57 1HD PRO 57 12.689 -1.670 -8.705 468 H ASP 58 H ASP 58 17.046 -2.945 -5.798 469 HA ASP 58 HA ASP 58 18.526 -0.435 -5.520 470 1HB ASP 58 2HB ASP 58 18.624 -3.062 -4.230 471 2HB ASP 58 1HB ASP 58 20.217 -2.444 -4.672 472 HA PRO 59 HA PRO 59 21.123 -1.041 -9.023 473 1HB PRO 59 2HB PRO 59 23.645 -0.632 -8.085 474 2HB PRO 59 1HB PRO 59 22.477 0.673 -8.318 475 1HG PRO 59 2HG PRO 59 23.227 -0.770 -5.807 476 2HG PRO 59 1HG PRO 59 22.960 0.964 -6.064 477 1HD PRO 59 2HD PRO 59 21.090 -0.633 -4.946 478 2HD PRO 59 1HD PRO 59 20.663 0.754 -5.968 479 H SER 60 H SER 60 20.645 -3.313 -9.241 480 HA SER 60 HA SER 60 22.537 -5.196 -8.083 481 1HB SER 60 2HB SER 60 21.099 -6.927 -8.947 482 2HB SER 60 1HB SER 60 20.078 -5.696 -8.206 483 HG SER 60 HG SER 60 19.779 -4.842 -10.349 484 H ASN 61 H ASN 61 24.013 -3.636 -9.591 485 HA ASN 61 HA ASN 61 24.177 -4.534 -12.323 486 1HB ASN 61 2HB ASN 61 26.181 -3.084 -12.426 487 2HB ASN 61 1HB ASN 61 24.776 -2.237 -11.789 488 1HD2 ASN 61 1HD2 ASN 61 27.903 -3.542 -11.086 489 2HD2 ASN 61 2HD2 ASN 61 28.089 -2.805 -9.525 490 H LYS 62 H LYS 62 26.273 -5.356 -13.205 491 HA LYS 62 HA LYS 62 27.117 -7.637 -11.629 492 1HB LYS 62 2HB LYS 62 27.881 -6.804 -14.433 493 2HB LYS 62 1HB LYS 62 28.284 -8.340 -13.676 494 1HG LYS 62 2HG LYS 62 25.442 -7.803 -13.577 495 2HG LYS 62 1HG LYS 62 26.063 -7.790 -15.228 496 1HD LYS 62 2HD LYS 62 25.766 -10.018 -15.101 497 2HD LYS 62 1HD LYS 62 27.303 -9.985 -14.235 498 1HE LYS 62 2HE LYS 62 26.157 -11.079 -12.640 499 2HE LYS 62 1HE LYS 62 25.573 -9.470 -12.217 500 1HZ LYS 62 1HZ LYS 62 23.628 -10.642 -12.402 501 2HZ LYS 62 2HZ LYS 62 24.191 -11.626 -13.658 502 3HZ LYS 62 3HZ LYS 62 23.760 -10.021 -13.972 503 H LYS 63 H LYS 63 29.292 -8.140 -11.139 504 HA LYS 63 HA LYS 63 31.294 -6.057 -11.477 505 1HB LYS 63 2HB LYS 63 29.895 -5.831 -9.249 506 2HB LYS 63 1HB LYS 63 30.955 -7.124 -8.708 507 1HG LYS 63 2HG LYS 63 32.521 -5.093 -9.966 508 2HG LYS 63 1HG LYS 63 31.465 -4.357 -8.760 509 1HD LYS 63 2HD LYS 63 32.356 -6.531 -7.406 510 2HD LYS 63 1HD LYS 63 33.756 -6.170 -8.419 511 1HE LYS 63 2HE LYS 63 33.897 -5.027 -6.264 512 2HE LYS 63 1HE LYS 63 33.775 -3.877 -7.594 513 1HZ LYS 63 1HZ LYS 63 32.295 -3.699 -5.425 514 2HZ LYS 63 2HZ LYS 63 31.281 -4.706 -6.328 515 3HZ LYS 63 3HZ LYS 63 31.735 -3.195 -6.940 516 H THR 64 H THR 64 33.460 -6.791 -10.708 517 HA THR 64 HA THR 64 33.798 -9.611 -11.381 518 HB THR 64 HB THR 64 36.194 -9.039 -11.598 519 HG1 THR 64 1HG THR 64 35.385 -6.381 -11.049 520 1HG2 THR 64 1HG2 THR 64 35.036 -6.814 -13.108 521 2HG2 THR 64 2HG2 THR 64 34.260 -8.377 -13.365 522 3HG2 THR 64 3HG2 THR 64 35.989 -8.192 -13.655 523 H THR 65 H THR 65 34.931 -11.072 -10.093 524 HA THR 65 HA THR 65 35.499 -10.214 -7.339 525 HB THR 65 HB THR 65 34.608 -12.503 -6.632 526 HG1 THR 65 1HG THR 65 33.425 -12.318 -9.203 527 1HG2 THR 65 1HG2 THR 65 33.375 -10.197 -6.522 528 2HG2 THR 65 2HG2 THR 65 32.524 -11.704 -6.175 529 3HG2 THR 65 3HG2 THR 65 32.348 -10.935 -7.753 530 H ALA 66 H ALA 66 37.403 -10.889 -6.567 531 HA ALA 66 HA ALA 66 38.654 -13.319 -7.465 532 1HB ALA 66 1HB ALA 66 39.606 -12.307 -9.251 533 2HB ALA 66 2HB ALA 66 40.775 -11.788 -8.037 534 3HB ALA 66 3HB ALA 66 39.484 -10.696 -8.544 Start of MODEL 14 1 1H MET 1 1HT MET 1 2.011 16.887 2.529 2 2H MET 1 2HT MET 1 2.653 15.718 1.450 3 3H MET 1 3HT MET 1 2.573 15.382 3.131 4 HA MET 1 HA MET 1 0.303 15.191 3.119 5 1HB MET 1 2HB MET 1 0.608 16.868 0.712 6 2HB MET 1 1HB MET 1 -0.681 15.676 0.621 7 1HG MET 1 2HG MET 1 -0.448 17.448 3.010 8 2HG MET 1 1HG MET 1 -1.177 18.051 1.522 9 1HE MET 1 1HE MET 1 -2.913 15.390 4.680 10 2HE MET 1 2HE MET 1 -1.293 16.073 4.563 11 3HE MET 1 3HE MET 1 -1.660 14.536 3.781 12 H GLU 2 H GLU 2 2.623 13.576 2.315 13 HA GLU 2 HA GLU 2 1.711 11.888 0.158 14 1HB GLU 2 2HB GLU 2 4.140 12.142 1.803 15 2HB GLU 2 1HB GLU 2 3.741 10.494 1.335 16 1HG GLU 2 2HG GLU 2 3.708 11.161 -1.009 17 2HG GLU 2 1HG GLU 2 4.087 12.819 -0.547 18 H GLN 3 H GLN 3 1.352 9.583 0.405 19 HA GLN 3 HA GLN 3 0.755 8.545 3.027 20 1HB GLN 3 2HB GLN 3 -1.282 9.927 1.861 21 2HB GLN 3 1HB GLN 3 -1.591 8.305 1.254 22 1HG GLN 3 2HG GLN 3 -2.190 7.513 3.276 23 2HG GLN 3 1HG GLN 3 -1.032 8.524 4.138 24 1HE2 GLN 3 1HE2 GLN 3 -1.640 11.003 3.644 25 2HE2 GLN 3 2HE2 GLN 3 -3.280 11.388 4.069 26 H ARG 4 H ARG 4 2.552 7.818 0.977 27 HA ARG 4 HA ARG 4 1.435 5.484 -0.344 28 1HB ARG 4 2HB ARG 4 4.120 6.830 -0.389 29 2HB ARG 4 1HB ARG 4 3.880 5.249 -1.118 30 1HG ARG 4 2HG ARG 4 2.934 6.125 -2.925 31 2HG ARG 4 1HG ARG 4 1.854 7.134 -1.963 32 1HD ARG 4 2HD ARG 4 3.755 8.715 -1.624 33 2HD ARG 4 1HD ARG 4 4.699 7.744 -2.753 34 HE ARG 4 HE ARG 4 2.443 8.334 -4.142 35 1HH1 ARG 4 1HH1 ARG 4 4.796 10.263 -2.433 36 2HH1 ARG 4 2HH1 ARG 4 4.600 11.640 -3.466 37 1HH2 ARG 4 1HH2 ARG 4 2.185 10.142 -5.500 38 2HH2 ARG 4 2HH2 ARG 4 3.119 11.572 -5.206 39 H ILE 5 H ILE 5 0.906 4.388 1.666 40 HA ILE 5 HA ILE 5 3.018 3.498 3.393 41 HB ILE 5 HB ILE 5 0.221 2.384 3.259 42 1HG1 ILE 5 2HG1 ILE 5 0.957 4.547 5.158 43 2HG1 ILE 5 1HG1 ILE 5 0.631 4.987 3.498 44 1HG2 ILE 5 1HG2 ILE 5 0.744 2.219 5.794 45 2HG2 ILE 5 2HG2 ILE 5 2.425 2.367 5.280 46 3HG2 ILE 5 3HG2 ILE 5 1.437 1.030 4.690 47 1HD1 ILE 5 1HD1 ILE 5 -1.587 4.274 3.619 48 2HD1 ILE 5 2HD1 ILE 5 -1.298 5.093 5.155 49 3HD1 ILE 5 3HD1 ILE 5 -1.292 3.330 5.079 50 H THR 6 H THR 6 3.326 1.214 3.861 51 HA THR 6 HA THR 6 3.798 -0.254 1.403 52 HB THR 6 HB THR 6 4.774 -1.927 3.207 53 HG1 THR 6 1HG THR 6 3.998 -0.844 5.016 54 1HG2 THR 6 1HG2 THR 6 6.827 -1.140 2.741 55 2HG2 THR 6 2HG2 THR 6 6.399 0.527 3.129 56 3HG2 THR 6 3HG2 THR 6 5.941 -0.161 1.570 57 H LEU 7 H LEU 7 2.939 -2.244 0.874 58 HA LEU 7 HA LEU 7 0.295 -2.765 1.595 59 1HB LEU 7 2HB LEU 7 1.376 -3.551 -0.484 60 2HB LEU 7 1HB LEU 7 2.309 -4.702 0.452 61 HG LEU 7 HG LEU 7 -0.030 -5.575 1.219 62 1HD1 LEU 7 1HD1 LEU 7 -1.652 -5.358 -0.722 63 2HD1 LEU 7 2HD1 LEU 7 -0.676 -3.986 -1.245 64 3HD1 LEU 7 3HD1 LEU 7 -1.474 -3.951 0.327 65 1HD2 LEU 7 1HD2 LEU 7 0.004 -7.191 -0.533 66 2HD2 LEU 7 2HD2 LEU 7 1.677 -6.747 -0.191 67 3HD2 LEU 7 3HD2 LEU 7 0.863 -6.089 -1.610 68 H LYS 8 H LYS 8 3.308 -3.978 2.918 69 HA LYS 8 HA LYS 8 2.258 -6.093 4.444 70 1HB LYS 8 2HB LYS 8 4.660 -5.815 3.977 71 2HB LYS 8 1HB LYS 8 4.689 -4.386 5.002 72 1HG LYS 8 2HG LYS 8 3.689 -6.150 6.747 73 2HG LYS 8 1HG LYS 8 4.628 -7.243 5.730 74 1HD LYS 8 2HD LYS 8 6.397 -5.220 6.074 75 2HD LYS 8 1HD LYS 8 5.522 -5.159 7.606 76 1HE LYS 8 2HE LYS 8 6.278 -7.855 6.717 77 2HE LYS 8 1HE LYS 8 7.635 -6.790 7.091 78 1HZ LYS 8 1HZ LYS 8 5.550 -7.839 8.863 79 2HZ LYS 8 2HZ LYS 8 6.197 -6.315 9.209 80 3HZ LYS 8 3HZ LYS 8 7.211 -7.666 9.136 81 H ASP 9 H ASP 9 2.597 -2.654 5.091 82 HA ASP 9 HA ASP 9 1.764 -2.892 7.839 83 1HB ASP 9 2HB ASP 9 2.297 -0.552 6.017 84 2HB ASP 9 1HB ASP 9 1.642 -0.336 7.637 85 H TYR 10 H TYR 10 0.338 -1.482 4.895 86 HA TYR 10 HA TYR 10 -2.132 -0.793 5.988 87 1HB TYR 10 2HB TYR 10 -1.175 -0.159 3.710 88 2HB TYR 10 1HB TYR 10 -1.751 -1.723 3.145 89 HD1 TYR 10 1HD TYR 10 -4.199 -2.211 3.166 90 HD2 TYR 10 2HD TYR 10 -2.664 1.669 3.998 91 HE1 TYR 10 1HE TYR 10 -6.423 -1.248 2.750 92 HE2 TYR 10 2HE TYR 10 -4.884 2.642 3.584 93 HH TYR 10 HH TYR 10 -7.402 0.918 2.110 94 H ALA 11 H ALA 11 -0.926 -3.861 4.829 95 HA ALA 11 HA ALA 11 -3.441 -5.178 4.669 96 1HB ALA 11 1HB ALA 11 -0.598 -6.112 4.762 97 2HB ALA 11 2HB ALA 11 -1.764 -6.213 3.442 98 3HB ALA 11 3HB ALA 11 -1.929 -7.263 4.850 99 H MET 12 H MET 12 -0.871 -5.201 7.135 100 HA MET 12 HA MET 12 -2.415 -6.764 8.953 101 1HB MET 12 2HB MET 12 0.287 -5.794 8.774 102 2HB MET 12 1HB MET 12 -0.358 -5.472 10.378 103 1HG MET 12 2HG MET 12 -1.116 -7.947 10.296 104 2HG MET 12 1HG MET 12 0.076 -8.086 9.005 105 1HE MET 12 1HE MET 12 2.069 -5.609 10.501 106 2HE MET 12 2HE MET 12 2.492 -6.886 9.361 107 3HE MET 12 3HE MET 12 3.300 -6.798 10.926 108 H ARG 13 H ARG 13 -2.072 -3.408 8.286 109 HA ARG 13 HA ARG 13 -3.220 -2.589 10.830 110 1HB ARG 13 2HB ARG 13 -1.387 -1.350 9.433 111 2HB ARG 13 1HB ARG 13 -2.766 -0.729 8.524 112 1HG ARG 13 2HG ARG 13 -3.338 0.695 10.146 113 2HG ARG 13 1HG ARG 13 -3.073 -0.502 11.421 114 1HD ARG 13 2HD ARG 13 -1.092 0.380 11.919 115 2HD ARG 13 1HD ARG 13 -0.569 0.288 10.237 116 HE ARG 13 HE ARG 13 -1.066 2.513 9.990 117 1HH1 ARG 13 1HH1 ARG 13 -2.488 1.350 12.958 118 2HH1 ARG 13 2HH1 ARG 13 -2.937 2.930 13.508 119 1HH2 ARG 13 1HH2 ARG 13 -1.656 4.590 10.711 120 2HH2 ARG 13 2HH2 ARG 13 -2.466 4.769 12.232 121 H PHE 14 H PHE 14 -4.028 -2.011 7.401 122 HA PHE 14 HA PHE 14 -6.793 -1.531 8.137 123 1HB PHE 14 2HB PHE 14 -5.209 -1.165 5.601 124 2HB PHE 14 1HB PHE 14 -6.936 -0.889 5.704 125 HD1 PHE 14 1HD PHE 14 -7.818 0.954 7.080 126 HD2 PHE 14 2HD PHE 14 -3.653 0.384 6.541 127 HE1 PHE 14 1HE PHE 14 -7.409 3.220 7.891 128 HE2 PHE 14 2HE PHE 14 -3.232 2.644 7.353 129 HZ PHE 14 HZ PHE 14 -5.115 4.047 8.020 130 H GLY 15 H GLY 15 -5.489 -4.270 8.100 131 1HA GLY 15 2HA GLY 15 -6.118 -6.404 7.548 132 2HA GLY 15 1HA GLY 15 -7.678 -5.723 7.114 133 H GLN 16 H GLN 16 -6.889 -7.806 5.673 134 HA GLN 16 HA GLN 16 -5.495 -6.892 3.290 135 1HB GLN 16 2HB GLN 16 -6.753 -9.593 3.769 136 2HB GLN 16 1HB GLN 16 -5.535 -9.180 2.572 137 1HG GLN 16 2HG GLN 16 -3.835 -9.188 4.088 138 2HG GLN 16 1HG GLN 16 -4.883 -8.745 5.434 139 1HE2 GLN 16 1HE2 GLN 16 -2.912 -10.843 5.319 140 2HE2 GLN 16 2HE2 GLN 16 -3.752 -12.334 5.613 141 H THR 17 H THR 17 -8.718 -7.973 4.254 142 HA THR 17 HA THR 17 -9.916 -7.995 1.726 143 HB THR 17 HB THR 17 -11.180 -7.335 4.390 144 HG1 THR 17 1HG THR 17 -11.010 -9.835 3.070 145 1HG2 THR 17 1HG2 THR 17 -12.440 -8.403 1.874 146 2HG2 THR 17 2HG2 THR 17 -12.670 -6.792 2.550 147 3HG2 THR 17 3HG2 THR 17 -13.240 -8.212 3.434 148 H LYS 18 H LYS 18 -9.750 -5.389 4.143 149 HA LYS 18 HA LYS 18 -11.210 -3.478 2.730 150 1HB LYS 18 2HB LYS 18 -10.110 -3.528 5.173 151 2HB LYS 18 1HB LYS 18 -8.905 -2.553 4.356 152 1HG LYS 18 2HG LYS 18 -11.680 -1.747 3.871 153 2HG LYS 18 1HG LYS 18 -11.120 -1.561 5.531 154 1HD LYS 18 2HD LYS 18 -9.015 -0.553 4.150 155 2HD LYS 18 1HD LYS 18 -10.350 -0.106 3.092 156 1HE LYS 18 2HE LYS 18 -11.430 1.100 4.830 157 2HE LYS 18 1HE LYS 18 -10.340 0.446 6.050 158 1HZ LYS 18 1HZ LYS 18 -8.560 1.721 5.193 159 2HZ LYS 18 2HZ LYS 18 -9.872 2.778 5.336 160 3HZ LYS 18 3HZ LYS 18 -9.435 2.174 3.818 161 H THR 19 H THR 19 -7.782 -4.291 2.610 162 HA THR 19 HA THR 19 -6.900 -2.159 1.031 163 HB THR 19 HB THR 19 -5.796 -4.954 0.823 164 HG1 THR 19 1HG THR 19 -4.595 -4.447 2.701 165 1HG2 THR 19 1HG2 THR 19 -3.793 -3.023 1.201 166 2HG2 THR 19 2HG2 THR 19 -4.889 -2.390 -0.028 167 3HG2 THR 19 3HG2 THR 19 -4.136 -3.971 -0.246 168 H ALA 20 H ALA 20 -7.912 -5.426 0.029 169 HA ALA 20 HA ALA 20 -7.706 -4.908 -2.747 170 1HB ALA 20 1HB ALA 20 -9.641 -6.962 -1.933 171 2HB ALA 20 2HB ALA 20 -8.025 -7.147 -1.249 172 3HB ALA 20 3HB ALA 20 -8.239 -7.077 -2.998 173 H LYS 21 H LYS 21 -10.230 -4.386 -0.399 174 HA LYS 21 HA LYS 21 -12.320 -4.018 -2.316 175 1HB LYS 21 2HB LYS 21 -12.270 -4.460 0.376 176 2HB LYS 21 1HB LYS 21 -12.640 -2.742 0.318 177 1HG LYS 21 2HG LYS 21 -14.580 -3.165 -1.058 178 2HG LYS 21 1HG LYS 21 -14.180 -4.884 -1.130 179 1HD LYS 21 2HD LYS 21 -14.630 -5.178 1.177 180 2HD LYS 21 1HD LYS 21 -14.680 -3.439 1.461 181 1HE LYS 21 2HE LYS 21 -16.930 -4.132 1.451 182 2HE LYS 21 1HE LYS 21 -16.660 -3.386 -0.125 183 1HZ LYS 21 1HZ LYS 21 -17.730 -5.304 -0.713 184 2HZ LYS 21 2HZ LYS 21 -17.060 -6.214 0.547 185 3HZ LYS 21 3HZ LYS 21 -16.120 -5.828 -0.805 186 H ASP 22 H ASP 22 -10.210 -1.869 -0.457 187 HA ASP 22 HA ASP 22 -11.400 0.538 -1.395 188 1HB ASP 22 2HB ASP 22 -9.102 -0.233 0.264 189 2HB ASP 22 1HB ASP 22 -8.857 1.251 -0.660 190 H LEU 23 H LEU 23 -8.856 -1.552 -2.559 191 HA LEU 23 HA LEU 23 -7.952 0.353 -4.540 192 1HB LEU 23 2HB LEU 23 -6.831 -1.864 -3.299 193 2HB LEU 23 1HB LEU 23 -7.106 -2.401 -4.945 194 HG LEU 23 HG LEU 23 -5.861 0.243 -4.795 195 1HD1 LEU 23 1HD1 LEU 23 -3.615 -0.780 -4.222 196 2HD1 LEU 23 2HD1 LEU 23 -4.518 -2.135 -3.543 197 3HD1 LEU 23 3HD1 LEU 23 -4.727 -0.515 -2.879 198 1HD2 LEU 23 1HD2 LEU 23 -4.945 -0.418 -6.735 199 2HD2 LEU 23 2HD2 LEU 23 -6.137 -1.715 -6.658 200 3HD2 LEU 23 3HD2 LEU 23 -4.489 -1.999 -6.098 201 H GLY 24 H GLY 24 -9.283 -2.955 -4.750 202 1HA GLY 24 2HA GLY 24 -11.410 -2.729 -6.310 203 2HA GLY 24 1HA GLY 24 -10.140 -2.408 -7.483 204 H VAL 25 H VAL 25 -8.293 -4.279 -6.131 205 HA VAL 25 HA VAL 25 -9.144 -6.660 -7.511 206 HB VAL 25 HB VAL 25 -6.965 -7.597 -6.650 207 1HG1 VAL 25 1HG1 VAL 25 -7.227 -6.529 -8.866 208 2HG1 VAL 25 2HG1 VAL 25 -5.608 -6.331 -8.193 209 3HG1 VAL 25 3HG1 VAL 25 -6.753 -4.989 -8.149 210 1HG2 VAL 25 1HG2 VAL 25 -6.028 -4.892 -5.954 211 2HG2 VAL 25 2HG2 VAL 25 -5.598 -6.457 -5.263 212 3HG2 VAL 25 3HG2 VAL 25 -7.094 -5.660 -4.778 213 H GLN 26 H GLN 26 -8.481 -8.801 -6.206 214 HA GLN 26 HA GLN 26 -10.150 -8.756 -3.797 215 1HB GLN 26 2HB GLN 26 -9.313 -11.200 -5.346 216 2HB GLN 26 1HB GLN 26 -10.620 -11.059 -4.179 217 1HG GLN 26 2HG GLN 26 -10.990 -9.203 -6.343 218 2HG GLN 26 1HG GLN 26 -10.780 -10.843 -6.955 219 1HE2 GLN 26 1HE2 GLN 26 -12.790 -11.409 -7.503 220 2HE2 GLN 26 2HE2 GLN 26 -14.150 -11.411 -6.437 221 H GLN 27 H GLN 27 -9.532 -10.568 -2.194 222 HA GLN 27 HA GLN 27 -7.023 -9.928 -1.103 223 1HB GLN 27 2HB GLN 27 -9.165 -11.896 -0.498 224 2HB GLN 27 1HB GLN 27 -7.581 -12.195 0.203 225 1HG GLN 27 2HG GLN 27 -7.636 -9.910 1.165 226 2HG GLN 27 1HG GLN 27 -9.284 -9.741 0.563 227 1HE2 GLN 27 1HE2 GLN 27 -10.500 -11.999 1.124 228 2HE2 GLN 27 2HE2 GLN 27 -10.480 -12.345 2.817 229 H SER 28 H SER 28 -7.915 -12.190 -3.512 230 HA SER 28 HA SER 28 -5.964 -14.167 -3.181 231 1HB SER 28 2HB SER 28 -7.403 -13.128 -5.618 232 2HB SER 28 1HB SER 28 -6.243 -14.451 -5.714 233 HG SER 28 HG SER 28 -8.646 -14.367 -4.212 234 H ALA 29 H ALA 29 -5.784 -10.953 -4.532 235 HA ALA 29 HA ALA 29 -3.144 -11.380 -5.648 236 1HB ALA 29 1HB ALA 29 -3.334 -8.841 -6.033 237 2HB ALA 29 2HB ALA 29 -5.014 -9.042 -5.536 238 3HB ALA 29 3HB ALA 29 -4.401 -9.911 -6.943 239 H ILE 30 H ILE 30 -4.598 -9.751 -2.874 240 HA ILE 30 HA ILE 30 -2.318 -8.422 -1.939 241 HB ILE 30 HB ILE 30 -4.490 -9.589 -0.198 242 1HG1 ILE 30 2HG1 ILE 30 -5.568 -8.326 -1.956 243 2HG1 ILE 30 1HG1 ILE 30 -5.609 -7.375 -0.475 244 1HG2 ILE 30 1HG2 ILE 30 -2.301 -8.562 0.740 245 2HG2 ILE 30 2HG2 ILE 30 -3.849 -8.086 1.436 246 3HG2 ILE 30 3HG2 ILE 30 -3.035 -7.023 0.287 247 1HD1 ILE 30 1HD1 ILE 30 -3.549 -6.192 -1.351 248 2HD1 ILE 30 2HD1 ILE 30 -5.070 -5.871 -2.187 249 3HD1 ILE 30 3HD1 ILE 30 -3.889 -6.974 -2.895 250 H ASN 31 H ASN 31 -3.572 -11.655 -1.179 251 HA ASN 31 HA ASN 31 -1.606 -12.360 0.693 252 1HB ASN 31 2HB ASN 31 -3.560 -13.845 -0.993 253 2HB ASN 31 1HB ASN 31 -2.243 -14.767 -0.276 254 1HD2 ASN 31 1HD2 ASN 31 -1.902 -14.325 2.100 255 2HD2 ASN 31 2HD2 ASN 31 -3.333 -14.216 3.077 256 H LYS 32 H LYS 32 -1.719 -12.647 -2.819 257 HA LYS 32 HA LYS 32 0.637 -14.168 -3.108 258 1HB LYS 32 2HB LYS 32 -1.248 -12.777 -4.840 259 2HB LYS 32 1HB LYS 32 0.403 -12.684 -5.438 260 1HG LYS 32 2HG LYS 32 0.360 -14.788 -6.128 261 2HG LYS 32 1HG LYS 32 -0.248 -15.357 -4.573 262 1HD LYS 32 2HD LYS 32 -2.368 -15.458 -5.309 263 2HD LYS 32 1HD LYS 32 -2.236 -13.929 -6.179 264 1HE LYS 32 2HE LYS 32 -0.654 -15.529 -7.693 265 2HE LYS 32 1HE LYS 32 -1.854 -16.689 -7.122 266 1HZ LYS 32 1HZ LYS 32 -3.476 -15.735 -8.330 267 2HZ LYS 32 2HZ LYS 32 -2.192 -15.161 -9.269 268 3HZ LYS 32 3HZ LYS 32 -2.897 -14.162 -8.101 269 H TRP 33 H TRP 33 0.018 -10.758 -2.803 270 HA TRP 33 HA TRP 33 2.549 -9.844 -3.662 271 1HB TRP 33 2HB TRP 33 0.356 -8.662 -1.997 272 2HB TRP 33 1HB TRP 33 1.789 -7.754 -2.447 273 HD1 TRP 33 HD TRP 33 1.467 -9.568 -5.338 274 HE1 TRP 33 1HE TRP 33 -0.032 -8.483 -7.132 275 HE3 TRP 33 3HE TRP 33 -1.018 -6.312 -2.363 276 HZ2 TRP 33 2HZ TRP 33 -2.026 -6.483 -7.243 277 HZ3 TRP 33 3HZ TRP 33 -2.719 -4.832 -3.365 278 HH2 TRP 33 HH TRP 33 -3.213 -4.921 -5.759 279 H ILE 34 H ILE 34 1.151 -10.439 -0.449 280 HA ILE 34 HA ILE 34 3.599 -9.802 0.916 281 HB ILE 34 HB ILE 34 1.218 -11.268 2.046 282 1HG1 ILE 34 2HG1 ILE 34 1.704 -8.282 2.037 283 2HG1 ILE 34 1HG1 ILE 34 0.595 -9.101 0.941 284 1HG2 ILE 34 1HG2 ILE 34 3.054 -11.418 3.523 285 2HG2 ILE 34 2HG2 ILE 34 2.029 -10.127 4.153 286 3HG2 ILE 34 3HG2 ILE 34 3.498 -9.731 3.261 287 1HD1 ILE 34 1HD1 ILE 34 -0.582 -9.964 3.008 288 2HD1 ILE 34 2HD1 ILE 34 -0.727 -8.238 2.673 289 3HD1 ILE 34 3HD1 ILE 34 0.388 -8.805 3.918 290 H HIS 35 H HIS 35 2.195 -12.617 -0.505 291 HA HIS 35 HA HIS 35 3.497 -14.608 0.999 292 1HB HIS 35 2HB HIS 35 1.997 -14.448 -1.519 293 2HB HIS 35 1HB HIS 35 3.203 -15.726 -1.488 294 HD1 HIS 35 1HD HIS 35 1.803 -15.107 1.823 295 HD2 HIS 35 2HD HIS 35 0.820 -17.402 -1.496 296 HE1 HIS 35 1HE HIS 35 0.152 -16.810 2.652 297 HE2 HIS 35 2HE HIS 35 -0.350 -18.253 0.649 298 H ALA 36 H ALA 36 4.519 -12.590 -1.620 299 HA ALA 36 HA ALA 36 7.079 -14.029 -1.751 300 1HB ALA 36 1HB ALA 36 5.557 -13.637 -3.834 301 2HB ALA 36 2HB ALA 36 7.306 -13.445 -3.965 302 3HB ALA 36 3HB ALA 36 6.272 -12.025 -3.806 303 H GLY 37 H GLY 37 5.588 -11.099 -0.802 304 1HA GLY 37 2HA GLY 37 6.553 -9.398 0.461 305 2HA GLY 37 1HA GLY 37 8.136 -10.071 0.110 306 H ARG 38 H ARG 38 5.789 -9.320 -2.377 307 HA ARG 38 HA ARG 38 7.592 -7.825 -3.910 308 1HB ARG 38 2HB ARG 38 5.310 -8.959 -4.526 309 2HB ARG 38 1HB ARG 38 4.638 -7.382 -4.131 310 1HG ARG 38 2HG ARG 38 6.702 -6.702 -5.771 311 2HG ARG 38 1HG ARG 38 6.186 -8.244 -6.458 312 1HD ARG 38 2HD ARG 38 3.805 -7.265 -6.294 313 2HD ARG 38 1HD ARG 38 4.619 -5.711 -6.116 314 HE ARG 38 HE ARG 38 5.171 -5.776 -8.339 315 1HH1 ARG 38 1HH1 ARG 38 4.077 -8.937 -7.343 316 2HH1 ARG 38 2HH1 ARG 38 4.031 -9.567 -8.956 317 1HH2 ARG 38 1HH2 ARG 38 5.110 -6.604 -10.462 318 2HH2 ARG 38 2HH2 ARG 38 4.618 -8.243 -10.726 319 H LYS 39 H LYS 39 8.384 -5.863 -3.582 320 HA LYS 39 HA LYS 39 7.439 -4.132 -1.553 321 1HB LYS 39 2HB LYS 39 9.804 -4.325 -2.597 322 2HB LYS 39 1HB LYS 39 9.186 -3.224 -3.822 323 1HG LYS 39 2HG LYS 39 8.707 -1.562 -2.124 324 2HG LYS 39 1HG LYS 39 9.242 -2.672 -0.862 325 1HD LYS 39 2HD LYS 39 11.149 -2.139 -3.062 326 2HD LYS 39 1HD LYS 39 10.834 -0.808 -1.947 327 1HE LYS 39 2HE LYS 39 12.267 -1.727 -0.520 328 2HE LYS 39 1HE LYS 39 11.169 -3.097 -0.356 329 1HZ LYS 39 1HZ LYS 39 13.324 -2.852 -2.387 330 2HZ LYS 39 2HZ LYS 39 12.284 -4.174 -2.202 331 3HZ LYS 39 3HZ LYS 39 13.398 -3.798 -0.986 332 H ILE 40 H ILE 40 5.547 -3.116 -1.672 333 HA ILE 40 HA ILE 40 4.941 -1.599 -4.114 334 HB ILE 40 HB ILE 40 2.851 -3.125 -2.564 335 1HG1 ILE 40 2HG1 ILE 40 4.175 -3.791 -5.204 336 2HG1 ILE 40 1HG1 ILE 40 4.313 -4.705 -3.705 337 1HG2 ILE 40 1HG2 ILE 40 2.786 -1.479 -5.078 338 2HG2 ILE 40 2HG2 ILE 40 1.866 -1.245 -3.593 339 3HG2 ILE 40 3HG2 ILE 40 1.506 -2.612 -4.647 340 1HD1 ILE 40 1HD1 ILE 40 2.419 -4.994 -5.774 341 2HD1 ILE 40 2HD1 ILE 40 1.560 -4.436 -4.338 342 3HD1 ILE 40 3HD1 ILE 40 2.544 -5.898 -4.264 343 H PHE 41 H PHE 41 3.396 0.156 -3.770 344 HA PHE 41 HA PHE 41 3.105 1.023 -0.990 345 1HB PHE 41 2HB PHE 41 4.423 2.632 -3.180 346 2HB PHE 41 1HB PHE 41 3.820 3.347 -1.688 347 HD1 PHE 41 1HD PHE 41 4.854 2.739 0.474 348 HD2 PHE 41 2HD PHE 41 6.470 1.441 -3.242 349 HE1 PHE 41 1HE PHE 41 6.983 2.214 1.589 350 HE2 PHE 41 2HE PHE 41 8.603 0.913 -2.135 351 HZ PHE 41 HZ PHE 41 8.862 1.298 0.284 352 H LEU 42 H LEU 42 1.049 1.509 -0.660 353 HA LEU 42 HA LEU 42 -0.589 2.351 -2.946 354 1HB LEU 42 2HB LEU 42 -2.476 1.509 -1.828 355 2HB LEU 42 1HB LEU 42 -1.220 0.312 -1.591 356 HG LEU 42 HG LEU 42 -1.809 2.390 0.502 357 1HD1 LEU 42 1HD1 LEU 42 -3.622 1.323 1.258 358 2HD1 LEU 42 2HD1 LEU 42 -2.942 -0.271 0.930 359 3HD1 LEU 42 3HD1 LEU 42 -3.715 0.641 -0.365 360 1HD2 LEU 42 1HD2 LEU 42 -1.044 0.078 1.731 361 2HD2 LEU 42 2HD2 LEU 42 0.034 1.412 1.320 362 3HD2 LEU 42 3HD2 LEU 42 -0.103 0.025 0.240 363 H THR 43 H THR 43 -1.625 4.273 -2.991 364 HA THR 43 HA THR 43 -1.046 6.121 -0.786 365 HB THR 43 HB THR 43 -2.155 7.123 -3.351 366 HG1 THR 43 1HG THR 43 0.447 6.042 -3.082 367 1HG2 THR 43 1HG2 THR 43 0.091 8.551 -2.808 368 2HG2 THR 43 2HG2 THR 43 -0.454 8.105 -1.191 369 3HG2 THR 43 3HG2 THR 43 -1.537 8.976 -2.278 370 H ILE 44 H ILE 44 -2.622 6.690 0.545 371 HA ILE 44 HA ILE 44 -5.352 5.917 -0.018 372 HB ILE 44 HB ILE 44 -4.326 7.427 2.386 373 1HG1 ILE 44 2HG1 ILE 44 -4.594 4.440 1.975 374 2HG1 ILE 44 1HG1 ILE 44 -3.080 5.327 2.117 375 1HG2 ILE 44 1HG2 ILE 44 -6.665 5.575 2.370 376 2HG2 ILE 44 2HG2 ILE 44 -6.847 7.218 1.755 377 3HG2 ILE 44 3HG2 ILE 44 -6.328 6.952 3.419 378 1HD1 ILE 44 1HD1 ILE 44 -5.174 5.071 4.262 379 2HD1 ILE 44 2HD1 ILE 44 -3.644 5.935 4.404 380 3HD1 ILE 44 3HD1 ILE 44 -3.650 4.186 4.186 381 H ASN 45 H ASN 45 -6.915 7.199 -0.770 382 HA ASN 45 HA ASN 45 -6.297 9.975 -1.350 383 1HB ASN 45 2HB ASN 45 -8.798 8.400 -2.000 384 2HB ASN 45 1HB ASN 45 -8.335 9.960 -2.675 385 1HD2 ASN 45 1HD2 ASN 45 -8.920 7.968 -4.370 386 2HD2 ASN 45 2HD2 ASN 45 -7.481 7.375 -5.141 387 H ALA 46 H ALA 46 -8.088 11.611 -1.005 388 HA ALA 46 HA ALA 46 -8.850 11.520 1.797 389 1HB ALA 46 1HB ALA 46 -9.342 13.869 1.565 390 2HB ALA 46 2HB ALA 46 -9.187 13.763 -0.189 391 3HB ALA 46 3HB ALA 46 -7.772 13.526 0.837 392 H ASP 47 H ASP 47 -10.240 10.235 -0.777 393 HA ASP 47 HA ASP 47 -12.960 11.111 -0.096 394 1HB ASP 47 2HB ASP 47 -13.260 9.608 -2.351 395 2HB ASP 47 1HB ASP 47 -13.070 11.359 -2.338 396 H GLY 48 H GLY 48 -10.770 8.479 0.038 397 1HA GLY 48 2HA GLY 48 -11.390 6.741 1.677 398 2HA GLY 48 1HA GLY 48 -12.980 6.709 0.899 399 H SER 49 H SER 49 -10.570 7.116 -1.408 400 HA SER 49 HA SER 49 -10.690 4.261 -2.076 401 1HB SER 49 2HB SER 49 -11.060 6.617 -3.623 402 2HB SER 49 1HB SER 49 -9.638 5.779 -4.231 403 HG SER 49 HG SER 49 -11.920 5.189 -4.976 404 H VAL 50 H VAL 50 -8.748 3.373 -3.192 405 HA VAL 50 HA VAL 50 -6.234 4.656 -2.470 406 HB VAL 50 HB VAL 50 -6.572 1.778 -1.699 407 1HG1 VAL 50 1HG1 VAL 50 -4.770 2.501 -0.060 408 2HG1 VAL 50 2HG1 VAL 50 -4.685 4.002 -0.981 409 3HG1 VAL 50 3HG1 VAL 50 -4.323 2.464 -1.766 410 1HG2 VAL 50 1HG2 VAL 50 -7.032 4.074 0.198 411 2HG2 VAL 50 2HG2 VAL 50 -7.172 2.351 0.539 412 3HG2 VAL 50 3HG2 VAL 50 -8.331 3.134 -0.534 413 H TYR 51 H TYR 51 -4.419 3.846 -3.602 414 HA TYR 51 HA TYR 51 -4.927 1.838 -5.663 415 1HB TYR 51 2HB TYR 51 -4.024 3.247 -7.436 416 2HB TYR 51 1HB TYR 51 -5.431 4.014 -6.708 417 HD1 TYR 51 1HD TYR 51 -1.781 4.159 -7.078 418 HD2 TYR 51 2HD TYR 51 -5.219 6.066 -5.451 419 HE1 TYR 51 1HE TYR 51 -0.457 6.191 -6.677 420 HE2 TYR 51 2HE TYR 51 -3.904 8.104 -5.046 421 HH TYR 51 HH TYR 51 -0.487 8.166 -5.295 422 H ALA 52 H ALA 52 -3.286 0.458 -5.821 423 HA ALA 52 HA ALA 52 -0.876 0.923 -4.308 424 1HB ALA 52 1HB ALA 52 -0.297 -1.396 -5.229 425 2HB ALA 52 2HB ALA 52 -1.941 -1.407 -5.866 426 3HB ALA 52 3HB ALA 52 -1.668 -1.267 -4.130 427 H GLU 53 H GLU 53 0.951 1.750 -5.067 428 HA GLU 53 HA GLU 53 1.296 1.946 -7.980 429 1HB GLU 53 2HB GLU 53 1.971 3.707 -5.708 430 2HB GLU 53 1HB GLU 53 3.194 3.604 -6.966 431 1HG GLU 53 2HG GLU 53 1.423 4.174 -8.627 432 2HG GLU 53 1HG GLU 53 0.329 4.458 -7.274 433 H GLU 54 H GLU 54 3.412 1.614 -8.882 434 HA GLU 54 HA GLU 54 4.981 -0.340 -7.340 435 1HB GLU 54 2HB GLU 54 3.816 -0.777 -9.709 436 2HB GLU 54 1HB GLU 54 5.329 -0.090 -10.281 437 1HG GLU 54 2HG GLU 54 6.188 -1.898 -8.423 438 2HG GLU 54 1HG GLU 54 4.775 -2.701 -9.105 439 H VAL 55 H VAL 55 7.229 -0.215 -7.320 440 HA VAL 55 HA VAL 55 8.283 2.457 -7.530 441 HB VAL 55 HB VAL 55 9.781 -0.078 -6.861 442 1HG1 VAL 55 1HG1 VAL 55 11.558 1.196 -6.323 443 2HG1 VAL 55 2HG1 VAL 55 10.561 2.513 -5.702 444 3HG1 VAL 55 3HG1 VAL 55 10.819 2.345 -7.439 445 1HG2 VAL 55 1HG2 VAL 55 9.003 1.718 -4.675 446 2HG2 VAL 55 2HG2 VAL 55 9.002 -0.045 -4.753 447 3HG2 VAL 55 3HG2 VAL 55 7.662 0.868 -5.443 448 H LYS 56 H LYS 56 8.178 2.854 -9.779 449 HA LYS 56 HA LYS 56 10.413 1.671 -11.254 450 1HB LYS 56 2HB LYS 56 7.852 0.864 -11.760 451 2HB LYS 56 1HB LYS 56 8.033 2.186 -12.904 452 1HG LYS 56 2HG LYS 56 9.701 1.118 -14.084 453 2HG LYS 56 1HG LYS 56 10.144 0.085 -12.723 454 1HD LYS 56 2HD LYS 56 8.166 -1.236 -12.995 455 2HD LYS 56 1HD LYS 56 7.523 -0.115 -14.196 456 1HE LYS 56 2HE LYS 56 10.178 -1.222 -14.807 457 2HE LYS 56 1HE LYS 56 8.864 -2.397 -14.785 458 1HZ LYS 56 1HZ LYS 56 9.420 -1.128 -16.954 459 2HZ LYS 56 2HZ LYS 56 8.527 0.126 -16.256 460 3HZ LYS 56 3HZ LYS 56 7.802 -1.376 -16.530 461 HA PRO 57 HA PRO 57 11.092 6.150 -11.534 462 1HB PRO 57 2HB PRO 57 13.136 5.076 -13.429 463 2HB PRO 57 1HB PRO 57 13.309 6.295 -12.162 464 1HG PRO 57 2HG PRO 57 14.213 3.823 -11.787 465 2HG PRO 57 1HG PRO 57 13.428 4.712 -10.469 466 1HD PRO 57 2HD PRO 57 12.376 2.482 -12.143 467 2HD PRO 57 1HD PRO 57 12.057 2.866 -10.439 468 H ASP 58 H ASP 58 10.192 7.569 -12.898 469 HA ASP 58 HA ASP 58 9.331 6.595 -15.531 470 1HB ASP 58 2HB ASP 58 8.056 8.148 -13.490 471 2HB ASP 58 1HB ASP 58 8.176 9.129 -14.953 472 HA PRO 59 HA PRO 59 12.777 9.351 -16.759 473 1HB PRO 59 2HB PRO 59 13.156 8.173 -19.182 474 2HB PRO 59 1HB PRO 59 13.866 7.556 -17.687 475 1HG PRO 59 2HG PRO 59 11.410 6.644 -19.134 476 2HG PRO 59 1HG PRO 59 12.691 5.673 -18.386 477 1HD PRO 59 2HD PRO 59 10.312 6.103 -17.178 478 2HD PRO 59 1HD PRO 59 11.824 5.937 -16.263 479 H SER 60 H SER 60 10.962 10.948 -16.806 480 HA SER 60 HA SER 60 9.732 11.296 -19.435 481 1HB SER 60 2HB SER 60 8.593 11.567 -17.042 482 2HB SER 60 1HB SER 60 9.220 13.206 -17.203 483 HG SER 60 HG SER 60 7.756 13.607 -18.656 484 H ASN 61 H ASN 61 11.418 13.356 -17.057 485 HA ASN 61 HA ASN 61 12.142 15.222 -19.163 486 1HB ASN 61 2HB ASN 61 12.784 15.305 -16.206 487 2HB ASN 61 1HB ASN 61 13.011 16.618 -17.356 488 1HD2 ASN 61 1HD2 ASN 61 11.321 16.203 -14.880 489 2HD2 ASN 61 2HD2 ASN 61 9.733 16.705 -15.372 490 H LYS 62 H LYS 62 13.336 12.996 -19.867 491 HA LYS 62 HA LYS 62 16.156 13.558 -19.393 492 1HB LYS 62 2HB LYS 62 15.499 11.806 -17.749 493 2HB LYS 62 1HB LYS 62 15.021 10.773 -19.088 494 1HG LYS 62 2HG LYS 62 17.100 9.959 -18.835 495 2HG LYS 62 1HG LYS 62 17.535 11.347 -19.833 496 1HD LYS 62 2HD LYS 62 17.620 12.538 -17.460 497 2HD LYS 62 1HD LYS 62 17.943 10.886 -16.928 498 1HE LYS 62 2HE LYS 62 20.075 11.633 -17.335 499 2HE LYS 62 1HE LYS 62 19.671 10.916 -18.895 500 1HZ LYS 62 1HZ LYS 62 19.423 12.971 -19.871 501 2HZ LYS 62 2HZ LYS 62 20.698 13.267 -18.802 502 3HZ LYS 62 3HZ LYS 62 19.133 13.770 -18.408 503 H LYS 63 H LYS 63 13.829 11.470 -21.088 504 HA LYS 63 HA LYS 63 15.134 12.089 -23.608 505 1HB LYS 63 2HB LYS 63 15.324 9.474 -22.267 506 2HB LYS 63 1HB LYS 63 14.826 9.400 -23.952 507 1HG LYS 63 2HG LYS 63 16.908 11.102 -24.139 508 2HG LYS 63 1HG LYS 63 17.423 10.110 -22.773 509 1HD LYS 63 2HD LYS 63 16.936 8.090 -24.179 510 2HD LYS 63 1HD LYS 63 16.680 9.180 -25.542 511 1HE LYS 63 2HE LYS 63 19.020 10.093 -24.968 512 2HE LYS 63 1HE LYS 63 19.205 8.611 -24.031 513 1HZ LYS 63 1HZ LYS 63 19.940 8.704 -26.510 514 2HZ LYS 63 2HZ LYS 63 18.301 8.427 -26.818 515 3HZ LYS 63 3HZ LYS 63 19.188 7.317 -25.900 516 H THR 64 H THR 64 13.897 10.856 -25.438 517 HA THR 64 HA THR 64 11.078 10.470 -24.814 518 HB THR 64 HB THR 64 11.814 12.388 -27.012 519 HG1 THR 64 1HG THR 64 12.162 13.880 -25.605 520 1HG2 THR 64 1HG2 THR 64 9.605 13.026 -27.037 521 2HG2 THR 64 2HG2 THR 64 9.305 12.436 -25.403 522 3HG2 THR 64 3HG2 THR 64 9.487 11.293 -26.735 523 H THR 65 H THR 65 11.374 8.328 -25.447 524 HA THR 65 HA THR 65 11.906 7.930 -28.319 525 HB THR 65 HB THR 65 12.219 5.814 -26.194 526 HG1 THR 65 1HG THR 65 13.649 7.495 -25.703 527 1HG2 THR 65 1HG2 THR 65 13.044 6.064 -29.050 528 2HG2 THR 65 2HG2 THR 65 12.255 4.722 -28.221 529 3HG2 THR 65 3HG2 THR 65 13.963 5.052 -27.938 530 H ALA 66 H ALA 66 10.080 6.626 -25.556 531 HA ALA 66 HA ALA 66 8.027 5.657 -25.407 532 1HB ALA 66 1HB ALA 66 7.707 7.340 -27.862 533 2HB ALA 66 2HB ALA 66 7.009 7.562 -26.258 534 3HB ALA 66 3HB ALA 66 6.403 6.287 -27.313 Start of MODEL 15 1 1H MET 1 1HT MET 1 -2.660 14.185 -3.753 2 2H MET 1 2HT MET 1 -2.115 12.563 -3.896 3 3H MET 1 3HT MET 1 -1.239 13.835 -4.647 4 HA MET 1 HA MET 1 -0.490 14.670 -2.663 5 1HB MET 1 2HB MET 1 -2.600 12.882 -1.445 6 2HB MET 1 1HB MET 1 -1.361 13.690 -0.495 7 1HG MET 1 2HG MET 1 -2.773 15.506 -2.267 8 2HG MET 1 1HG MET 1 -3.845 14.685 -1.134 9 1HE MET 1 1HE MET 1 -3.262 18.265 0.403 10 2HE MET 1 2HE MET 1 -4.501 17.025 0.216 11 3HE MET 1 3HE MET 1 -3.677 17.669 -1.204 12 H GLU 2 H GLU 2 0.765 13.452 -0.823 13 HA GLU 2 HA GLU 2 1.885 11.018 -2.043 14 1HB GLU 2 2HB GLU 2 3.097 13.403 -0.963 15 2HB GLU 2 1HB GLU 2 3.672 11.986 -0.093 16 1HG GLU 2 2HG GLU 2 4.044 11.004 -2.467 17 2HG GLU 2 1HG GLU 2 3.982 12.692 -2.974 18 H GLN 3 H GLN 3 0.274 9.702 -1.019 19 HA GLN 3 HA GLN 3 0.815 9.266 1.844 20 1HB GLN 3 2HB GLN 3 -1.685 9.809 0.502 21 2HB GLN 3 1HB GLN 3 -1.746 8.243 1.298 22 1HG GLN 3 2HG GLN 3 -2.541 9.756 2.883 23 2HG GLN 3 1HG GLN 3 -0.877 9.431 3.366 24 1HE2 GLN 3 1HE2 GLN 3 -0.294 11.264 4.339 25 2HE2 GLN 3 2HE2 GLN 3 -0.337 12.837 3.607 26 H ARG 4 H ARG 4 2.246 8.020 -0.212 27 HA ARG 4 HA ARG 4 1.148 5.401 -0.704 28 1HB ARG 4 2HB ARG 4 3.343 4.941 -1.745 29 2HB ARG 4 1HB ARG 4 2.589 6.396 -2.377 30 1HG ARG 4 2HG ARG 4 4.182 7.213 -0.213 31 2HG ARG 4 1HG ARG 4 5.149 6.070 -1.147 32 1HD ARG 4 2HD ARG 4 3.660 8.038 -2.742 33 2HD ARG 4 1HD ARG 4 4.917 8.717 -1.709 34 HE ARG 4 HE ARG 4 5.310 7.296 -4.113 35 1HH1 ARG 4 1HH1 ARG 4 6.645 7.618 -0.904 36 2HH1 ARG 4 2HH1 ARG 4 8.247 7.175 -1.391 37 1HH2 ARG 4 1HH2 ARG 4 7.417 6.715 -4.754 38 2HH2 ARG 4 2HH2 ARG 4 8.686 6.664 -3.577 39 H ILE 5 H ILE 5 0.937 4.086 0.947 40 HA ILE 5 HA ILE 5 3.062 3.930 2.965 41 HB ILE 5 HB ILE 5 0.577 2.344 3.282 42 1HG1 ILE 5 2HG1 ILE 5 0.622 5.351 3.582 43 2HG1 ILE 5 1HG1 ILE 5 -0.308 4.430 2.408 44 1HG2 ILE 5 1HG2 ILE 5 2.685 3.482 4.923 45 2HG2 ILE 5 2HG2 ILE 5 1.583 2.151 5.266 46 3HG2 ILE 5 3HG2 ILE 5 1.080 3.811 5.578 47 1HD1 ILE 5 1HD1 ILE 5 -1.757 5.116 4.178 48 2HD1 ILE 5 2HD1 ILE 5 -0.667 4.443 5.390 49 3HD1 ILE 5 3HD1 ILE 5 -1.528 3.370 4.286 50 H THR 6 H THR 6 2.865 1.458 3.908 51 HA THR 6 HA THR 6 3.895 -0.155 1.713 52 HB THR 6 HB THR 6 4.101 -1.675 4.028 53 HG1 THR 6 1HG THR 6 4.686 1.023 4.665 54 1HG2 THR 6 1HG2 THR 6 5.880 -0.232 2.287 55 2HG2 THR 6 2HG2 THR 6 6.133 -1.741 3.163 56 3HG2 THR 6 3HG2 THR 6 6.446 -0.197 3.956 57 H LEU 7 H LEU 7 3.179 -2.290 1.287 58 HA LEU 7 HA LEU 7 0.357 -2.601 1.401 59 1HB LEU 7 2HB LEU 7 1.688 -3.464 -0.459 60 2HB LEU 7 1HB LEU 7 2.509 -4.571 0.626 61 HG LEU 7 HG LEU 7 0.347 -5.711 1.050 62 1HD1 LEU 7 1HD1 LEU 7 -0.618 -3.514 -0.670 63 2HD1 LEU 7 2HD1 LEU 7 -1.423 -4.364 0.648 64 3HD1 LEU 7 3HD1 LEU 7 -1.323 -5.105 -0.949 65 1HD2 LEU 7 1HD2 LEU 7 0.427 -7.007 -0.874 66 2HD2 LEU 7 2HD2 LEU 7 2.032 -6.279 -0.818 67 3HD2 LEU 7 3HD2 LEU 7 0.806 -5.629 -1.907 68 H LYS 8 H LYS 8 3.039 -3.870 3.259 69 HA LYS 8 HA LYS 8 1.596 -5.890 4.621 70 1HB LYS 8 2HB LYS 8 4.216 -5.303 4.401 71 2HB LYS 8 1HB LYS 8 3.894 -4.612 5.986 72 1HG LYS 8 2HG LYS 8 3.452 -6.648 6.938 73 2HG LYS 8 1HG LYS 8 2.962 -7.379 5.409 74 1HD LYS 8 2HD LYS 8 4.989 -8.324 5.388 75 2HD LYS 8 1HD LYS 8 5.600 -6.723 4.969 76 1HE LYS 8 2HE LYS 8 5.259 -7.715 7.794 77 2HE LYS 8 1HE LYS 8 6.770 -7.820 6.890 78 1HZ LYS 8 1HZ LYS 8 7.140 -5.614 7.074 79 2HZ LYS 8 2HZ LYS 8 6.181 -5.781 8.457 80 3HZ LYS 8 3HZ LYS 8 5.499 -5.201 7.023 81 H ASP 9 H ASP 9 2.552 -2.593 5.547 82 HA ASP 9 HA ASP 9 1.439 -2.551 8.097 83 1HB ASP 9 2HB ASP 9 1.655 -0.248 6.148 84 2HB ASP 9 1HB ASP 9 1.451 -0.108 7.891 85 H TYR 10 H TYR 10 -0.007 -1.184 5.135 86 HA TYR 10 HA TYR 10 -2.496 -0.570 6.170 87 1HB TYR 10 2HB TYR 10 -1.589 0.045 3.897 88 2HB TYR 10 1HB TYR 10 -2.009 -1.578 3.364 89 HD1 TYR 10 1HD TYR 10 -4.548 -2.247 3.923 90 HD2 TYR 10 2HD TYR 10 -3.099 1.726 3.461 91 HE1 TYR 10 1HE TYR 10 -6.823 -1.485 3.387 92 HE2 TYR 10 2HE TYR 10 -5.370 2.498 2.921 93 HH TYR 10 HH TYR 10 -8.120 0.662 3.487 94 H ALA 11 H ALA 11 -1.325 -3.629 4.860 95 HA ALA 11 HA ALA 11 -3.805 -4.982 4.879 96 1HB ALA 11 1HB ALA 11 -2.463 -7.028 4.701 97 2HB ALA 11 2HB ALA 11 -1.008 -6.097 5.058 98 3HB ALA 11 3HB ALA 11 -1.915 -5.783 3.579 99 H MET 12 H MET 12 -1.100 -5.032 7.200 100 HA MET 12 HA MET 12 -2.417 -6.690 9.067 101 1HB MET 12 2HB MET 12 0.119 -5.353 8.840 102 2HB MET 12 1HB MET 12 -0.532 -5.129 10.458 103 1HG MET 12 2HG MET 12 -0.619 -7.450 10.852 104 2HG MET 12 1HG MET 12 -0.356 -7.824 9.150 105 1HE MET 12 1HE MET 12 3.200 -8.707 9.173 106 2HE MET 12 2HE MET 12 1.761 -8.429 8.194 107 3HE MET 12 3HE MET 12 1.687 -9.517 9.580 108 H ARG 13 H ARG 13 -2.572 -3.315 8.420 109 HA ARG 13 HA ARG 13 -3.747 -2.683 11.003 110 1HB ARG 13 2HB ARG 13 -2.182 -1.219 9.372 111 2HB ARG 13 1HB ARG 13 -3.769 -0.671 8.830 112 1HG ARG 13 2HG ARG 13 -4.325 -0.109 11.176 113 2HG ARG 13 1HG ARG 13 -2.671 -0.544 11.632 114 1HD ARG 13 2HD ARG 13 -1.794 1.338 10.748 115 2HD ARG 13 1HD ARG 13 -2.924 1.356 9.394 116 HE ARG 13 HE ARG 13 -4.135 2.008 11.917 117 1HH1 ARG 13 1HH1 ARG 13 -2.400 3.274 9.166 118 2HH1 ARG 13 2HH1 ARG 13 -2.992 4.888 9.378 119 1HH2 ARG 13 1HH2 ARG 13 -4.912 4.130 12.198 120 2HH2 ARG 13 2HH2 ARG 13 -4.418 5.374 11.099 121 H PHE 14 H PHE 14 -4.781 -1.900 7.679 122 HA PHE 14 HA PHE 14 -7.524 -1.798 8.476 123 1HB PHE 14 2HB PHE 14 -6.295 -1.641 5.723 124 2HB PHE 14 1HB PHE 14 -7.905 -1.126 6.188 125 HD1 PHE 14 1HD PHE 14 -8.200 0.854 7.648 126 HD2 PHE 14 2HD PHE 14 -4.405 -0.249 6.111 127 HE1 PHE 14 1HE PHE 14 -7.345 3.078 8.175 128 HE2 PHE 14 2HE PHE 14 -3.541 1.971 6.635 129 HZ PHE 14 HZ PHE 14 -5.019 3.618 7.663 130 H GLY 15 H GLY 15 -5.603 -4.397 7.896 131 1HA GLY 15 2HA GLY 15 -6.137 -6.616 7.567 132 2HA GLY 15 1HA GLY 15 -7.828 -6.143 7.508 133 H GLN 16 H GLN 16 -6.471 -8.084 5.850 134 HA GLN 16 HA GLN 16 -5.815 -7.127 3.311 135 1HB GLN 16 2HB GLN 16 -6.300 -9.673 4.544 136 2HB GLN 16 1HB GLN 16 -7.104 -9.628 2.982 137 1HG GLN 16 2HG GLN 16 -4.614 -8.544 2.475 138 2HG GLN 16 1HG GLN 16 -4.289 -9.845 3.621 139 1HE2 GLN 16 1HE2 GLN 16 -3.705 -11.613 2.608 140 2HE2 GLN 16 2HE2 GLN 16 -4.380 -12.220 1.127 141 H THR 17 H THR 17 -8.912 -7.647 4.821 142 HA THR 17 HA THR 17 -10.530 -7.715 2.536 143 HB THR 17 HB THR 17 -11.190 -6.627 5.280 144 HG1 THR 17 1HG THR 17 -11.370 -9.230 4.180 145 1HG2 THR 17 1HG2 THR 17 -12.960 -7.526 3.029 146 2HG2 THR 17 2HG2 THR 17 -12.940 -5.961 3.843 147 3HG2 THR 17 3HG2 THR 17 -13.500 -7.395 4.704 148 H LYS 18 H LYS 18 -10.020 -4.944 4.729 149 HA LYS 18 HA LYS 18 -11.200 -3.035 3.068 150 1HB LYS 18 2HB LYS 18 -10.420 -2.920 5.569 151 2HB LYS 18 1HB LYS 18 -8.937 -2.299 4.876 152 1HG LYS 18 2HG LYS 18 -10.310 -0.560 3.709 153 2HG LYS 18 1HG LYS 18 -11.690 -1.115 4.663 154 1HD LYS 18 2HD LYS 18 -9.825 -0.773 6.599 155 2HD LYS 18 1HD LYS 18 -9.360 0.491 5.456 156 1HE LYS 18 2HE LYS 18 -10.880 1.561 6.851 157 2HE LYS 18 1HE LYS 18 -11.850 1.110 5.452 158 1HZ LYS 18 1HZ LYS 18 -11.880 0.003 8.170 159 2HZ LYS 18 2HZ LYS 18 -12.290 -1.011 6.881 160 3HZ LYS 18 3HZ LYS 18 -13.180 0.404 7.158 161 H THR 19 H THR 19 -7.933 -4.285 3.157 162 HA THR 19 HA THR 19 -6.682 -2.333 1.583 163 HB THR 19 HB THR 19 -5.992 -5.271 1.602 164 HG1 THR 19 1HG THR 19 -5.322 -5.061 3.575 165 1HG2 THR 19 1HG2 THR 19 -3.877 -4.721 0.975 166 2HG2 THR 19 2HG2 THR 19 -3.979 -3.093 1.644 167 3HG2 THR 19 3HG2 THR 19 -4.782 -3.473 0.119 168 H ALA 20 H ALA 20 -8.394 -5.296 0.685 169 HA ALA 20 HA ALA 20 -7.954 -4.801 -2.141 170 1HB ALA 20 1HB ALA 20 -8.513 -6.960 -2.483 171 2HB ALA 20 2HB ALA 20 -9.831 -6.919 -1.312 172 3HB ALA 20 3HB ALA 20 -8.167 -7.094 -0.759 173 H LYS 21 H LYS 21 -10.270 -3.977 0.219 174 HA LYS 21 HA LYS 21 -12.500 -3.801 -1.605 175 1HB LYS 21 2HB LYS 21 -12.140 -3.788 1.226 176 2HB LYS 21 1HB LYS 21 -12.990 -2.317 0.776 177 1HG LYS 21 2HG LYS 21 -14.850 -3.520 0.773 178 2HG LYS 21 1HG LYS 21 -14.250 -4.305 -0.690 179 1HD LYS 21 2HD LYS 21 -13.560 -5.255 2.082 180 2HD LYS 21 1HD LYS 21 -14.960 -5.841 1.192 181 1HE LYS 21 2HE LYS 21 -12.220 -5.914 -0.015 182 2HE LYS 21 1HE LYS 21 -12.770 -7.191 1.068 183 1HZ LYS 21 1HZ LYS 21 -14.560 -7.699 -0.401 184 2HZ LYS 21 2HZ LYS 21 -13.140 -7.651 -1.324 185 3HZ LYS 21 3HZ LYS 21 -14.230 -6.357 -1.379 186 H ASP 22 H ASP 22 -10.250 -1.568 -0.031 187 HA ASP 22 HA ASP 22 -11.500 0.766 -1.123 188 1HB ASP 22 2HB ASP 22 -9.174 0.171 0.597 189 2HB ASP 22 1HB ASP 22 -9.039 1.627 -0.387 190 H LEU 23 H LEU 23 -8.843 -1.331 -2.033 191 HA LEU 23 HA LEU 23 -7.910 0.420 -4.118 192 1HB LEU 23 2HB LEU 23 -6.859 -1.753 -2.737 193 2HB LEU 23 1HB LEU 23 -7.078 -2.349 -4.370 194 HG LEU 23 HG LEU 23 -5.815 0.290 -4.261 195 1HD1 LEU 23 1HD1 LEU 23 -4.841 -0.563 -2.229 196 2HD1 LEU 23 2HD1 LEU 23 -3.632 -0.578 -3.514 197 3HD1 LEU 23 3HD1 LEU 23 -4.419 -2.078 -3.027 198 1HD2 LEU 23 1HD2 LEU 23 -5.997 -1.860 -6.012 199 2HD2 LEU 23 2HD2 LEU 23 -4.319 -1.872 -5.471 200 3HD2 LEU 23 3HD2 LEU 23 -4.999 -0.420 -6.207 201 H GLY 24 H GLY 24 -10.100 -2.280 -3.843 202 1HA GLY 24 2HA GLY 24 -11.810 -2.804 -5.355 203 2HA GLY 24 1HA GLY 24 -11.040 -1.766 -6.547 204 H VAL 25 H VAL 25 -9.264 -4.225 -4.824 205 HA VAL 25 HA VAL 25 -9.124 -5.794 -7.317 206 HB VAL 25 HB VAL 25 -6.865 -6.541 -6.504 207 1HG1 VAL 25 1HG1 VAL 25 -6.866 -4.986 -8.260 208 2HG1 VAL 25 2HG1 VAL 25 -5.761 -4.314 -7.063 209 3HG1 VAL 25 3HG1 VAL 25 -7.397 -3.672 -7.211 210 1HG2 VAL 25 1HG2 VAL 25 -7.614 -5.349 -4.145 211 2HG2 VAL 25 2HG2 VAL 25 -6.487 -4.180 -4.835 212 3HG2 VAL 25 3HG2 VAL 25 -5.977 -5.846 -4.572 213 H GLN 26 H GLN 26 -8.075 -8.082 -6.644 214 HA GLN 26 HA GLN 26 -10.020 -9.245 -4.828 215 1HB GLN 26 2HB GLN 26 -7.987 -10.692 -6.519 216 2HB GLN 26 1HB GLN 26 -9.435 -11.363 -5.779 217 1HG GLN 26 2HG GLN 26 -9.717 -9.145 -7.739 218 2HG GLN 26 1HG GLN 26 -9.362 -10.768 -8.325 219 1HE2 GLN 26 1HE2 GLN 26 -10.790 -12.492 -7.279 220 2HE2 GLN 26 2HE2 GLN 26 -12.480 -12.116 -7.198 221 H GLN 27 H GLN 27 -9.511 -10.460 -3.042 222 HA GLN 27 HA GLN 27 -7.338 -9.643 -1.495 223 1HB GLN 27 2HB GLN 27 -9.323 -11.868 -1.290 224 2HB GLN 27 1HB GLN 27 -7.948 -11.850 -0.195 225 1HG GLN 27 2HG GLN 27 -8.783 -10.174 1.024 226 2HG GLN 27 1HG GLN 27 -9.342 -9.289 -0.395 227 1HE2 GLN 27 1HE2 GLN 27 -10.160 -12.571 0.595 228 2HE2 GLN 27 2HE2 GLN 27 -11.840 -12.277 0.817 229 H SER 28 H SER 28 -7.534 -12.034 -3.944 230 HA SER 28 HA SER 28 -5.472 -13.761 -3.121 231 1HB SER 28 2HB SER 28 -7.195 -14.097 -5.002 232 2HB SER 28 1HB SER 28 -6.098 -13.150 -6.005 233 HG SER 28 HG SER 28 -5.954 -15.674 -5.668 234 H ALA 29 H ALA 29 -5.429 -10.944 -5.295 235 HA ALA 29 HA ALA 29 -2.758 -10.982 -6.011 236 1HB ALA 29 1HB ALA 29 -3.702 -9.342 -7.211 237 2HB ALA 29 2HB ALA 29 -3.273 -8.303 -5.853 238 3HB ALA 29 3HB ALA 29 -4.895 -8.985 -5.962 239 H ILE 30 H ILE 30 -4.254 -9.505 -3.154 240 HA ILE 30 HA ILE 30 -1.901 -8.333 -2.135 241 HB ILE 30 HB ILE 30 -4.462 -9.182 -0.783 242 1HG1 ILE 30 2HG1 ILE 30 -4.744 -6.695 -0.595 243 2HG1 ILE 30 1HG1 ILE 30 -3.290 -6.506 -1.567 244 1HG2 ILE 30 1HG2 ILE 30 -3.037 -9.304 1.031 245 2HG2 ILE 30 2HG2 ILE 30 -3.539 -7.614 1.079 246 3HG2 ILE 30 3HG2 ILE 30 -1.967 -8.047 0.407 247 1HD1 ILE 30 1HD1 ILE 30 -5.596 -6.359 -2.699 248 2HD1 ILE 30 2HD1 ILE 30 -5.586 -8.118 -2.584 249 3HD1 ILE 30 3HD1 ILE 30 -4.317 -7.286 -3.481 250 H ASN 31 H ASN 31 -3.225 -11.555 -1.953 251 HA ASN 31 HA ASN 31 -1.579 -12.481 0.166 252 1HB ASN 31 2HB ASN 31 -3.780 -13.483 -0.918 253 2HB ASN 31 1HB ASN 31 -2.618 -14.354 -1.914 254 1HD2 ASN 31 1HD2 ASN 31 -2.833 -13.432 1.509 255 2HD2 ASN 31 2HD2 ASN 31 -2.522 -15.025 2.129 256 H LYS 32 H LYS 32 -1.350 -12.621 -3.367 257 HA LYS 32 HA LYS 32 1.078 -14.103 -3.374 258 1HB LYS 32 2HB LYS 32 0.010 -12.398 -5.618 259 2HB LYS 32 1HB LYS 32 1.096 -13.775 -5.743 260 1HG LYS 32 2HG LYS 32 -1.784 -13.887 -4.870 261 2HG LYS 32 1HG LYS 32 -1.164 -14.338 -6.460 262 1HD LYS 32 2HD LYS 32 0.221 -15.662 -4.256 263 2HD LYS 32 1HD LYS 32 -1.502 -16.036 -4.325 264 1HE LYS 32 2HE LYS 32 -1.009 -16.378 -6.876 265 2HE LYS 32 1HE LYS 32 0.648 -16.595 -6.318 266 1HZ LYS 32 1HZ LYS 32 -1.665 -18.315 -5.968 267 2HZ LYS 32 2HZ LYS 32 -0.652 -18.175 -4.622 268 3HZ LYS 32 3HZ LYS 32 -0.026 -18.715 -6.097 269 H TRP 33 H TRP 33 0.274 -10.758 -3.126 270 HA TRP 33 HA TRP 33 2.704 -9.653 -4.026 271 1HB TRP 33 2HB TRP 33 0.472 -8.704 -2.277 272 2HB TRP 33 1HB TRP 33 1.857 -7.681 -2.625 273 HD1 TRP 33 HD TRP 33 1.640 -9.270 -5.675 274 HE1 TRP 33 1HE TRP 33 0.100 -8.092 -7.380 275 HE3 TRP 33 3HE TRP 33 -0.993 -6.399 -2.446 276 HZ2 TRP 33 2HZ TRP 33 -1.983 -6.181 -7.326 277 HZ3 TRP 33 3HZ TRP 33 -2.756 -4.912 -3.322 278 HH2 TRP 33 HH TRP 33 -3.241 -4.809 -5.716 279 H ILE 34 H ILE 34 1.474 -10.371 -0.760 280 HA ILE 34 HA ILE 34 4.079 -9.781 0.396 281 HB ILE 34 HB ILE 34 1.624 -10.777 1.834 282 1HG1 ILE 34 2HG1 ILE 34 2.494 -7.906 1.452 283 2HG1 ILE 34 1HG1 ILE 34 1.201 -8.674 0.535 284 1HG2 ILE 34 1HG2 ILE 34 2.891 -9.292 3.630 285 2HG2 ILE 34 2HG2 ILE 34 4.282 -9.742 2.645 286 3HG2 ILE 34 3HG2 ILE 34 3.279 -10.993 3.379 287 1HD1 ILE 34 1HD1 ILE 34 -0.035 -7.678 2.148 288 2HD1 ILE 34 2HD1 ILE 34 1.256 -7.763 3.348 289 3HD1 ILE 34 3HD1 ILE 34 0.305 -9.200 2.971 290 H HIS 35 H HIS 35 3.051 -12.336 -1.239 291 HA HIS 35 HA HIS 35 3.861 -14.405 0.632 292 1HB HIS 35 2HB HIS 35 2.330 -14.300 -1.842 293 2HB HIS 35 1HB HIS 35 3.505 -15.611 -1.846 294 HD1 HIS 35 1HD HIS 35 2.061 -14.717 1.439 295 HD2 HIS 35 2HD HIS 35 1.307 -17.413 -1.631 296 HE1 HIS 35 1HE HIS 35 0.465 -16.406 2.405 297 HE2 HIS 35 2HE HIS 35 -0.038 -17.981 0.505 298 H ALA 36 H ALA 36 5.119 -12.622 -2.044 299 HA ALA 36 HA ALA 36 7.572 -14.254 -1.973 300 1HB ALA 36 1HB ALA 36 6.119 -14.069 -4.136 301 2HB ALA 36 2HB ALA 36 7.878 -13.993 -4.235 302 3HB ALA 36 3HB ALA 36 6.927 -12.510 -4.302 303 H GLY 37 H GLY 37 6.454 -11.538 -0.698 304 1HA GLY 37 2HA GLY 37 7.514 -9.712 0.219 305 2HA GLY 37 1HA GLY 37 9.034 -10.388 -0.347 306 H ARG 38 H ARG 38 6.159 -9.353 -2.154 307 HA ARG 38 HA ARG 38 7.804 -7.926 -4.035 308 1HB ARG 38 2HB ARG 38 5.432 -9.199 -4.266 309 2HB ARG 38 1HB ARG 38 4.868 -7.543 -4.079 310 1HG ARG 38 2HG ARG 38 6.567 -6.990 -5.936 311 2HG ARG 38 1HG ARG 38 6.549 -8.727 -6.250 312 1HD ARG 38 2HD ARG 38 3.905 -8.246 -6.119 313 2HD ARG 38 1HD ARG 38 4.468 -6.687 -6.720 314 HE ARG 38 HE ARG 38 4.972 -7.675 -8.727 315 1HH1 ARG 38 1HH1 ARG 38 4.423 -10.161 -6.340 316 2HH1 ARG 38 2HH1 ARG 38 4.443 -11.450 -7.496 317 1HH2 ARG 38 1HH2 ARG 38 4.998 -9.368 -10.248 318 2HH2 ARG 38 2HH2 ARG 38 4.770 -11.001 -9.716 319 H LYS 39 H LYS 39 8.647 -6.032 -3.439 320 HA LYS 39 HA LYS 39 7.622 -4.329 -1.459 321 1HB LYS 39 2HB LYS 39 9.963 -4.470 -2.818 322 2HB LYS 39 1HB LYS 39 9.228 -3.077 -3.601 323 1HG LYS 39 2HG LYS 39 10.001 -1.843 -1.933 324 2HG LYS 39 1HG LYS 39 8.829 -2.643 -0.885 325 1HD LYS 39 2HD LYS 39 11.310 -4.147 -1.382 326 2HD LYS 39 1HD LYS 39 11.503 -2.651 -0.464 327 1HE LYS 39 2HE LYS 39 9.910 -3.385 1.175 328 2HE LYS 39 1HE LYS 39 9.507 -4.805 0.211 329 1HZ LYS 39 1HZ LYS 39 11.340 -5.895 0.889 330 2HZ LYS 39 2HZ LYS 39 11.255 -4.838 2.209 331 3HZ LYS 39 3HZ LYS 39 12.306 -4.506 0.926 332 H ILE 40 H ILE 40 5.616 -3.515 -1.617 333 HA ILE 40 HA ILE 40 4.989 -1.923 -4.008 334 HB ILE 40 HB ILE 40 3.039 -3.731 -2.573 335 1HG1 ILE 40 2HG1 ILE 40 4.267 -3.918 -5.333 336 2HG1 ILE 40 1HG1 ILE 40 4.578 -5.000 -3.979 337 1HG2 ILE 40 1HG2 ILE 40 1.528 -3.081 -4.476 338 2HG2 ILE 40 2HG2 ILE 40 2.690 -1.814 -4.867 339 3HG2 ILE 40 3HG2 ILE 40 1.866 -1.801 -3.307 340 1HD1 ILE 40 1HD1 ILE 40 2.036 -5.444 -4.065 341 2HD1 ILE 40 2HD1 ILE 40 3.086 -6.195 -5.267 342 3HD1 ILE 40 3HD1 ILE 40 2.144 -4.765 -5.688 343 H PHE 41 H PHE 41 3.395 -0.258 -3.667 344 HA PHE 41 HA PHE 41 2.971 0.508 -0.869 345 1HB PHE 41 2HB PHE 41 4.086 2.295 -3.041 346 2HB PHE 41 1HB PHE 41 3.471 2.893 -1.502 347 HD1 PHE 41 1HD PHE 41 6.111 0.883 -3.102 348 HD2 PHE 41 2HD PHE 41 4.764 2.740 0.481 349 HE1 PHE 41 1HE PHE 41 8.325 0.526 -2.090 350 HE2 PHE 41 2HE PHE 41 6.975 2.388 1.500 351 HZ PHE 41 HZ PHE 41 8.759 1.279 0.214 352 H LEU 42 H LEU 42 1.239 2.125 -0.617 353 HA LEU 42 HA LEU 42 -0.587 2.286 -2.899 354 1HB LEU 42 2HB LEU 42 -2.464 1.509 -1.670 355 2HB LEU 42 1HB LEU 42 -1.192 0.318 -1.491 356 HG LEU 42 HG LEU 42 -1.932 2.381 0.582 357 1HD1 LEU 42 1HD1 LEU 42 -2.419 -0.102 1.634 358 2HD1 LEU 42 2HD1 LEU 42 -2.966 -0.277 -0.032 359 3HD1 LEU 42 3HD1 LEU 42 -3.638 0.996 0.987 360 1HD2 LEU 42 1HD2 LEU 42 -0.528 0.601 1.941 361 2HD2 LEU 42 2HD2 LEU 42 0.248 1.945 1.103 362 3HD2 LEU 42 3HD2 LEU 42 0.221 0.344 0.365 363 H THR 43 H THR 43 -1.494 4.222 -3.130 364 HA THR 43 HA THR 43 -1.074 6.201 -1.014 365 HB THR 43 HB THR 43 -1.943 6.652 -3.873 366 HG1 THR 43 1HG THR 43 0.155 5.728 -3.726 367 1HG2 THR 43 1HG2 THR 43 -0.612 8.879 -3.126 368 2HG2 THR 43 2HG2 THR 43 -1.415 8.443 -1.617 369 3HG2 THR 43 3HG2 THR 43 -2.365 8.698 -3.080 370 H ILE 44 H ILE 44 -2.712 6.291 0.391 371 HA ILE 44 HA ILE 44 -5.423 5.684 -0.381 372 HB ILE 44 HB ILE 44 -4.519 6.883 2.235 373 1HG1 ILE 44 2HG1 ILE 44 -4.785 3.939 1.611 374 2HG1 ILE 44 1HG1 ILE 44 -3.246 4.793 1.587 375 1HG2 ILE 44 1HG2 ILE 44 -6.826 5.025 1.748 376 2HG2 ILE 44 2HG2 ILE 44 -6.979 6.774 1.571 377 3HG2 ILE 44 3HG2 ILE 44 -6.531 6.080 3.130 378 1HD1 ILE 44 1HD1 ILE 44 -3.397 3.728 3.680 379 2HD1 ILE 44 2HD1 ILE 44 -5.047 4.294 3.932 380 3HD1 ILE 44 3HD1 ILE 44 -3.706 5.439 3.975 381 H ASN 45 H ASN 45 -7.110 7.088 -0.655 382 HA ASN 45 HA ASN 45 -6.393 9.920 -0.911 383 1HB ASN 45 2HB ASN 45 -8.378 8.142 -2.234 384 2HB ASN 45 1HB ASN 45 -8.817 9.836 -2.036 385 1HD2 ASN 45 1HD2 ASN 45 -8.293 8.340 -4.462 386 2HD2 ASN 45 2HD2 ASN 45 -6.989 9.158 -5.266 387 H ALA 46 H ALA 46 -8.021 11.534 -0.283 388 HA ALA 46 HA ALA 46 -8.902 11.097 2.393 389 1HB ALA 46 1HB ALA 46 -8.232 13.276 2.029 390 2HB ALA 46 2HB ALA 46 -9.989 13.419 1.966 391 3HB ALA 46 3HB ALA 46 -9.055 13.380 0.471 392 H ASP 47 H ASP 47 -10.290 10.340 -0.574 393 HA ASP 47 HA ASP 47 -13.020 10.566 0.449 394 1HB ASP 47 2HB ASP 47 -13.300 9.589 -2.084 395 2HB ASP 47 1HB ASP 47 -13.330 11.301 -1.667 396 H GLY 48 H GLY 48 -10.540 8.289 -0.254 397 1HA GLY 48 2HA GLY 48 -10.770 6.146 0.952 398 2HA GLY 48 1HA GLY 48 -12.420 6.092 0.359 399 H SER 49 H SER 49 -10.250 7.331 -1.934 400 HA SER 49 HA SER 49 -10.320 4.775 -3.375 401 1HB SER 49 2HB SER 49 -9.805 6.209 -5.384 402 2HB SER 49 1HB SER 49 -11.350 6.551 -4.619 403 HG SER 49 HG SER 49 -10.190 8.463 -5.083 404 H VAL 50 H VAL 50 -8.538 3.730 -2.564 405 HA VAL 50 HA VAL 50 -5.952 5.100 -2.838 406 HB VAL 50 HB VAL 50 -6.475 4.228 -0.589 407 1HG1 VAL 50 1HG1 VAL 50 -7.607 2.125 -1.836 408 2HG1 VAL 50 2HG1 VAL 50 -7.131 2.147 -0.138 409 3HG1 VAL 50 3HG1 VAL 50 -6.062 1.430 -1.344 410 1HG2 VAL 50 1HG2 VAL 50 -4.113 3.808 -2.093 411 2HG2 VAL 50 2HG2 VAL 50 -4.330 2.413 -1.037 412 3HG2 VAL 50 3HG2 VAL 50 -4.278 4.036 -0.353 413 H TYR 51 H TYR 51 -4.303 4.226 -4.029 414 HA TYR 51 HA TYR 51 -4.924 1.792 -5.565 415 1HB TYR 51 2HB TYR 51 -3.763 2.822 -7.504 416 2HB TYR 51 1HB TYR 51 -5.222 3.693 -7.039 417 HD1 TYR 51 1HD TYR 51 -5.057 5.883 -5.921 418 HD2 TYR 51 2HD TYR 51 -1.600 3.843 -7.326 419 HE1 TYR 51 1HE TYR 51 -3.765 7.969 -5.752 420 HE2 TYR 51 2HE TYR 51 -0.297 5.923 -7.159 421 HH TYR 51 HH TYR 51 -1.014 8.553 -7.233 422 H ALA 52 H ALA 52 -3.215 0.414 -6.016 423 HA ALA 52 HA ALA 52 -0.880 0.775 -4.305 424 1HB ALA 52 1HB ALA 52 -2.083 -1.574 -5.719 425 2HB ALA 52 2HB ALA 52 -1.774 -1.347 -3.997 426 3HB ALA 52 3HB ALA 52 -0.431 -1.637 -5.103 427 H GLU 53 H GLU 53 0.937 1.593 -5.087 428 HA GLU 53 HA GLU 53 1.410 1.486 -7.984 429 1HB GLU 53 2HB GLU 53 2.092 3.414 -5.840 430 2HB GLU 53 1HB GLU 53 3.302 3.193 -7.096 431 1HG GLU 53 2HG GLU 53 1.493 3.645 -8.776 432 2HG GLU 53 1HG GLU 53 0.460 4.106 -7.422 433 H GLU 54 H GLU 54 3.340 0.741 -8.834 434 HA GLU 54 HA GLU 54 4.903 -0.958 -7.023 435 1HB GLU 54 2HB GLU 54 3.753 -1.889 -9.114 436 2HB GLU 54 1HB GLU 54 4.977 -1.029 -10.035 437 1HG GLU 54 2HG GLU 54 6.667 -2.295 -8.571 438 2HG GLU 54 1HG GLU 54 5.307 -3.343 -8.168 439 H VAL 55 H VAL 55 7.067 -0.713 -6.762 440 HA VAL 55 HA VAL 55 8.235 1.742 -7.828 441 HB VAL 55 HB VAL 55 9.421 -0.122 -5.771 442 1HG1 VAL 55 1HG1 VAL 55 10.018 2.733 -6.533 443 2HG1 VAL 55 2HG1 VAL 55 11.058 1.330 -6.771 444 3HG1 VAL 55 3HG1 VAL 55 10.709 1.901 -5.140 445 1HG2 VAL 55 1HG2 VAL 55 7.734 2.343 -5.339 446 2HG2 VAL 55 2HG2 VAL 55 8.563 1.428 -4.079 447 3HG2 VAL 55 3HG2 VAL 55 7.254 0.683 -4.994 448 H LYS 56 H LYS 56 10.271 1.800 -8.845 449 HA LYS 56 HA LYS 56 10.901 -0.652 -10.316 450 1HB LYS 56 2HB LYS 56 12.155 0.826 -11.834 451 2HB LYS 56 1HB LYS 56 10.480 1.330 -11.665 452 1HG LYS 56 2HG LYS 56 11.027 3.296 -10.731 453 2HG LYS 56 1HG LYS 56 12.350 2.601 -9.793 454 1HD LYS 56 2HD LYS 56 13.831 3.362 -11.267 455 2HD LYS 56 1HD LYS 56 13.022 2.486 -12.567 456 1HE LYS 56 2HE LYS 56 11.911 4.320 -13.293 457 2HE LYS 56 1HE LYS 56 11.725 4.981 -11.669 458 1HZ LYS 56 1HZ LYS 56 13.377 5.996 -13.482 459 2HZ LYS 56 2HZ LYS 56 14.434 4.920 -12.718 460 3HZ LYS 56 3HZ LYS 56 13.649 6.115 -11.816 461 HA PRO 57 HA PRO 57 14.684 -1.626 -8.297 462 1HB PRO 57 2HB PRO 57 16.426 -1.683 -10.487 463 2HB PRO 57 1HB PRO 57 15.461 -3.036 -9.894 464 1HG PRO 57 2HG PRO 57 14.914 -1.159 -12.145 465 2HG PRO 57 1HG PRO 57 14.562 -2.893 -12.014 466 1HD PRO 57 2HD PRO 57 12.631 -1.065 -11.740 467 2HD PRO 57 1HD PRO 57 12.651 -2.533 -10.742 468 H ASP 58 H ASP 58 16.199 -0.475 -7.246 469 HA ASP 58 HA ASP 58 16.458 2.268 -7.531 470 1HB ASP 58 2HB ASP 58 18.588 0.499 -6.341 471 2HB ASP 58 1HB ASP 58 18.144 2.138 -5.884 472 HA PRO 59 HA PRO 59 19.549 3.171 -10.539 473 1HB PRO 59 2HB PRO 59 21.319 4.353 -8.479 474 2HB PRO 59 1HB PRO 59 20.612 5.099 -9.916 475 1HG PRO 59 2HG PRO 59 19.703 5.689 -7.480 476 2HG PRO 59 1HG PRO 59 18.596 5.534 -8.858 477 1HD PRO 59 2HD PRO 59 19.164 3.588 -6.656 478 2HD PRO 59 1HD PRO 59 17.612 4.014 -7.409 479 H SER 60 H SER 60 22.354 3.464 -10.015 480 HA SER 60 HA SER 60 24.298 2.280 -9.932 481 1HB SER 60 2HB SER 60 22.850 1.346 -7.744 482 2HB SER 60 1HB SER 60 23.353 -0.121 -8.582 483 HG SER 60 HG SER 60 24.939 1.927 -7.476 484 H ASN 61 H ASN 61 22.029 1.764 -11.907 485 HA ASN 61 HA ASN 61 23.375 -0.326 -13.343 486 1HB ASN 61 2HB ASN 61 21.422 -1.802 -13.575 487 2HB ASN 61 1HB ASN 61 21.935 -1.683 -11.896 488 1HD2 ASN 61 1HD2 ASN 61 19.402 -1.259 -14.108 489 2HD2 ASN 61 2HD2 ASN 61 18.232 -0.601 -13.008 490 H LYS 62 H LYS 62 23.303 2.129 -14.188 491 HA LYS 62 HA LYS 62 20.965 2.746 -15.752 492 1HB LYS 62 2HB LYS 62 23.599 4.033 -15.231 493 2HB LYS 62 1HB LYS 62 22.743 4.487 -16.699 494 1HG LYS 62 2HG LYS 62 20.771 5.059 -15.312 495 2HG LYS 62 1HG LYS 62 21.733 4.722 -13.872 496 1HD LYS 62 2HD LYS 62 22.981 6.559 -15.798 497 2HD LYS 62 1HD LYS 62 21.508 7.165 -15.037 498 1HE LYS 62 2HE LYS 62 22.423 7.073 -12.904 499 2HE LYS 62 1HE LYS 62 23.664 5.914 -13.381 500 1HZ LYS 62 1HZ LYS 62 24.608 7.758 -14.784 501 2HZ LYS 62 2HZ LYS 62 24.745 7.968 -13.111 502 3HZ LYS 62 3HZ LYS 62 23.562 8.814 -13.975 503 H LYS 63 H LYS 63 21.027 3.077 -18.080 504 HA LYS 63 HA LYS 63 23.100 1.799 -19.617 505 1HB LYS 63 2HB LYS 63 20.765 0.306 -18.821 506 2HB LYS 63 1HB LYS 63 20.793 0.491 -20.569 507 1HG LYS 63 2HG LYS 63 23.389 -0.197 -19.978 508 2HG LYS 63 1HG LYS 63 22.446 -1.155 -18.835 509 1HD LYS 63 2HD LYS 63 21.972 -2.593 -20.464 510 2HD LYS 63 1HD LYS 63 21.129 -1.308 -21.332 511 1HE LYS 63 2HE LYS 63 24.088 -1.384 -21.518 512 2HE LYS 63 1HE LYS 63 23.186 -2.627 -22.381 513 1HZ LYS 63 1HZ LYS 63 21.828 -0.492 -23.126 514 2HZ LYS 63 2HZ LYS 63 23.189 -1.040 -23.969 515 3HZ LYS 63 3HZ LYS 63 23.331 0.241 -22.872 516 H THR 64 H THR 64 19.768 3.025 -19.633 517 HA THR 64 HA THR 64 20.446 4.612 -22.006 518 HB THR 64 HB THR 64 17.801 4.059 -22.442 519 HG1 THR 64 1HG THR 64 17.639 1.779 -22.227 520 1HG2 THR 64 1HG2 THR 64 19.677 2.094 -23.590 521 2HG2 THR 64 2HG2 THR 64 20.007 3.798 -23.905 522 3HG2 THR 64 3HG2 THR 64 18.457 3.100 -24.372 523 H THR 65 H THR 65 20.072 6.689 -21.643 524 HA THR 65 HA THR 65 18.425 7.485 -19.385 525 HB THR 65 HB THR 65 19.400 9.647 -19.614 526 HG1 THR 65 1HG THR 65 20.267 8.777 -22.166 527 1HG2 THR 65 1HG2 THR 65 21.092 7.352 -19.564 528 2HG2 THR 65 2HG2 THR 65 21.306 8.918 -18.778 529 3HG2 THR 65 3HG2 THR 65 21.901 8.667 -20.418 530 H ALA 66 H ALA 66 16.430 8.296 -19.523 531 HA ALA 66 HA ALA 66 15.472 9.299 -22.110 532 1HB ALA 66 1HB ALA 66 14.424 7.307 -22.333 533 2HB ALA 66 2HB ALA 66 13.237 8.079 -21.280 534 3HB ALA 66 3HB ALA 66 14.438 6.980 -20.599 Start of MODEL 16 1 1H MET 1 1HT MET 1 1.265 16.570 0.920 2 2H MET 1 2HT MET 1 2.932 16.717 1.299 3 3H MET 1 3HT MET 1 1.755 17.460 2.301 4 HA MET 1 HA MET 1 2.772 15.362 3.126 5 1HB MET 1 2HB MET 1 -0.205 15.742 2.785 6 2HB MET 1 1HB MET 1 0.490 14.545 3.867 7 1HG MET 1 2HG MET 1 1.792 16.625 4.803 8 2HG MET 1 1HG MET 1 0.442 17.506 4.090 9 1HE MET 1 1HE MET 1 -1.895 15.588 4.311 10 2HE MET 1 2HE MET 1 -2.166 17.203 4.967 11 3HE MET 1 3HE MET 1 -2.601 15.782 5.916 12 H GLU 2 H GLU 2 2.771 13.101 3.023 13 HA GLU 2 HA GLU 2 1.875 11.982 0.446 14 1HB GLU 2 2HB GLU 2 4.478 12.099 1.506 15 2HB GLU 2 1HB GLU 2 3.968 10.425 1.690 16 1HG GLU 2 2HG GLU 2 4.066 10.024 -0.506 17 2HG GLU 2 1HG GLU 2 3.357 11.584 -0.925 18 H GLN 3 H GLN 3 1.412 9.639 0.494 19 HA GLN 3 HA GLN 3 0.789 8.483 3.077 20 1HB GLN 3 2HB GLN 3 -1.187 9.939 1.762 21 2HB GLN 3 1HB GLN 3 -1.554 8.267 1.365 22 1HG GLN 3 2HG GLN 3 -2.770 8.649 3.297 23 2HG GLN 3 1HG GLN 3 -1.323 7.825 3.880 24 1HE2 GLN 3 1HE2 GLN 3 -2.148 11.175 3.034 25 2HE2 GLN 3 2HE2 GLN 3 -1.576 11.869 4.520 26 H ARG 4 H ARG 4 2.627 7.744 1.094 27 HA ARG 4 HA ARG 4 1.436 5.485 -0.316 28 1HB ARG 4 2HB ARG 4 3.837 5.231 -1.180 29 2HB ARG 4 1HB ARG 4 2.923 6.635 -1.706 30 1HG ARG 4 2HG ARG 4 4.096 8.057 -0.189 31 2HG ARG 4 1HG ARG 4 4.879 6.675 0.579 32 1HD ARG 4 2HD ARG 4 5.331 6.720 -2.283 33 2HD ARG 4 1HD ARG 4 5.878 8.208 -1.510 34 HE ARG 4 HE ARG 4 7.065 5.617 -1.289 35 1HH1 ARG 4 1HH1 ARG 4 6.567 8.639 0.385 36 2HH1 ARG 4 2HH1 ARG 4 7.985 8.471 1.367 37 1HH2 ARG 4 1HH2 ARG 4 8.929 5.397 -0.000 38 2HH2 ARG 4 2HH2 ARG 4 9.326 6.632 1.148 39 H ILE 5 H ILE 5 0.936 4.326 1.641 40 HA ILE 5 HA ILE 5 3.059 3.389 3.333 41 HB ILE 5 HB ILE 5 0.267 2.265 3.194 42 1HG1 ILE 5 2HG1 ILE 5 0.968 4.411 5.124 43 2HG1 ILE 5 1HG1 ILE 5 0.652 4.875 3.469 44 1HG2 ILE 5 1HG2 ILE 5 0.827 2.122 5.743 45 2HG2 ILE 5 2HG2 ILE 5 2.495 2.221 5.178 46 3HG2 ILE 5 3HG2 ILE 5 1.453 0.909 4.627 47 1HD1 ILE 5 1HD1 ILE 5 -1.550 3.891 3.571 48 2HD1 ILE 5 2HD1 ILE 5 -1.336 5.042 4.891 49 3HD1 ILE 5 3HD1 ILE 5 -1.232 3.309 5.205 50 H THR 6 H THR 6 3.269 1.044 3.759 51 HA THR 6 HA THR 6 3.806 -0.332 1.267 52 HB THR 6 HB THR 6 4.895 -2.026 2.712 53 HG1 THR 6 1HG THR 6 4.805 -1.896 4.854 54 1HG2 THR 6 1HG2 THR 6 5.813 0.528 2.234 55 2HG2 THR 6 2HG2 THR 6 6.762 -0.839 2.816 56 3HG2 THR 6 3HG2 THR 6 6.066 0.303 3.966 57 H LEU 7 H LEU 7 2.984 -2.371 0.697 58 HA LEU 7 HA LEU 7 0.264 -2.776 1.144 59 1HB LEU 7 2HB LEU 7 1.600 -3.647 -0.780 60 2HB LEU 7 1HB LEU 7 2.266 -4.865 0.290 61 HG LEU 7 HG LEU 7 -0.071 -5.691 0.679 62 1HD1 LEU 7 1HD1 LEU 7 -1.473 -3.923 0.126 63 2HD1 LEU 7 2HD1 LEU 7 -1.652 -5.026 -1.238 64 3HD1 LEU 7 3HD1 LEU 7 -0.629 -3.598 -1.387 65 1HD2 LEU 7 1HD2 LEU 7 -0.091 -7.026 -1.250 66 2HD2 LEU 7 2HD2 LEU 7 1.605 -6.610 -1.008 67 3HD2 LEU 7 3HD2 LEU 7 0.657 -5.768 -2.233 68 H LYS 8 H LYS 8 3.066 -4.066 2.813 69 HA LYS 8 HA LYS 8 1.733 -6.087 4.261 70 1HB LYS 8 2HB LYS 8 4.271 -5.691 3.911 71 2HB LYS 8 1HB LYS 8 4.141 -4.631 5.309 72 1HG LYS 8 2HG LYS 8 3.947 -6.340 6.751 73 2HG LYS 8 1HG LYS 8 2.950 -7.293 5.652 74 1HD LYS 8 2HD LYS 8 4.740 -8.571 5.294 75 2HD LYS 8 1HD LYS 8 5.451 -7.206 4.432 76 1HE LYS 8 2HE LYS 8 5.679 -7.187 7.381 77 2HE LYS 8 1HE LYS 8 6.628 -8.398 6.522 78 1HZ LYS 8 1HZ LYS 8 7.161 -6.236 5.071 79 2HZ LYS 8 2HZ LYS 8 8.097 -6.717 6.396 80 3HZ LYS 8 3HZ LYS 8 6.925 -5.511 6.583 81 H ASP 9 H ASP 9 2.743 -2.811 5.240 82 HA ASP 9 HA ASP 9 1.631 -2.846 7.799 83 1HB ASP 9 2HB ASP 9 1.981 -0.478 5.948 84 2HB ASP 9 1HB ASP 9 1.722 -0.386 7.686 85 H TYR 10 H TYR 10 0.262 -1.290 4.893 86 HA TYR 10 HA TYR 10 -2.200 -0.617 5.957 87 1HB TYR 10 2HB TYR 10 -1.246 0.059 3.710 88 2HB TYR 10 1HB TYR 10 -1.786 -1.502 3.101 89 HD1 TYR 10 1HD TYR 10 -4.318 -2.042 3.465 90 HD2 TYR 10 2HD TYR 10 -2.675 1.880 3.598 91 HE1 TYR 10 1HE TYR 10 -6.546 -1.101 3.025 92 HE2 TYR 10 2HE TYR 10 -4.900 2.831 3.158 93 HH TYR 10 HH TYR 10 -7.245 2.216 3.383 94 H ALA 11 H ALA 11 -1.040 -3.713 4.888 95 HA ALA 11 HA ALA 11 -3.623 -4.942 4.690 96 1HB ALA 11 1HB ALA 11 -0.811 -5.979 4.679 97 2HB ALA 11 2HB ALA 11 -1.997 -5.968 3.373 98 3HB ALA 11 3HB ALA 11 -2.191 -7.075 4.732 99 H MET 12 H MET 12 -0.996 -5.018 7.082 100 HA MET 12 HA MET 12 -2.467 -6.656 8.898 101 1HB MET 12 2HB MET 12 0.212 -5.643 8.668 102 2HB MET 12 1HB MET 12 -0.391 -5.359 10.294 103 1HG MET 12 2HG MET 12 -1.119 -7.845 10.181 104 2HG MET 12 1HG MET 12 0.050 -7.939 8.864 105 1HE MET 12 1HE MET 12 3.308 -8.279 10.384 106 2HE MET 12 2HE MET 12 2.887 -6.754 9.607 107 3HE MET 12 3HE MET 12 2.233 -8.268 8.984 108 H ARG 13 H ARG 13 -2.212 -3.279 8.306 109 HA ARG 13 HA ARG 13 -3.189 -2.497 10.913 110 1HB ARG 13 2HB ARG 13 -1.653 -1.205 9.135 111 2HB ARG 13 1HB ARG 13 -3.226 -0.573 8.653 112 1HG ARG 13 2HG ARG 13 -3.480 -0.144 11.234 113 2HG ARG 13 1HG ARG 13 -1.713 -0.187 11.188 114 1HD ARG 13 2HD ARG 13 -2.096 1.435 9.132 115 2HD ARG 13 1HD ARG 13 -3.610 1.760 9.976 116 HE ARG 13 HE ARG 13 -1.026 2.682 10.704 117 1HH1 ARG 13 1HH1 ARG 13 -4.049 1.584 12.060 118 2HH1 ARG 13 2HH1 ARG 13 -3.854 2.473 13.534 119 1HH2 ARG 13 1HH2 ARG 13 -0.768 3.851 12.642 120 2HH2 ARG 13 2HH2 ARG 13 -1.991 3.760 13.863 121 H PHE 14 H PHE 14 -4.436 -1.755 7.656 122 HA PHE 14 HA PHE 14 -7.086 -1.407 8.667 123 1HB PHE 14 2HB PHE 14 -6.057 -1.436 5.827 124 2HB PHE 14 1HB PHE 14 -7.606 -0.820 6.370 125 HD1 PHE 14 1HD PHE 14 -7.714 1.232 7.741 126 HD2 PHE 14 2HD PHE 14 -4.070 -0.140 6.066 127 HE1 PHE 14 1HE PHE 14 -6.715 3.425 8.131 128 HE2 PHE 14 2HE PHE 14 -3.062 2.047 6.453 129 HZ PHE 14 HZ PHE 14 -4.394 3.814 7.482 130 H GLY 15 H GLY 15 -5.294 -3.979 7.166 131 1HA GLY 15 2HA GLY 15 -6.124 -6.239 7.434 132 2HA GLY 15 1HA GLY 15 -7.749 -5.615 7.204 133 H GLN 16 H GLN 16 -5.792 -7.605 5.794 134 HA GLN 16 HA GLN 16 -5.272 -6.737 3.211 135 1HB GLN 16 2HB GLN 16 -5.438 -9.288 4.598 136 2HB GLN 16 1HB GLN 16 -5.954 -9.419 2.922 137 1HG GLN 16 2HG GLN 16 -3.887 -8.990 2.103 138 2HG GLN 16 1HG GLN 16 -3.450 -7.938 3.449 139 1HE2 GLN 16 1HE2 GLN 16 -4.504 -11.317 3.183 140 2HE2 GLN 16 2HE2 GLN 16 -3.176 -11.980 4.082 141 H THR 17 H THR 17 -8.280 -7.645 4.683 142 HA THR 17 HA THR 17 -9.731 -8.150 2.291 143 HB THR 17 HB THR 17 -10.740 -7.292 5.008 144 HG1 THR 17 1HG THR 17 -9.705 -9.206 5.262 145 1HG2 THR 17 1HG2 THR 17 -12.520 -9.031 3.650 146 2HG2 THR 17 2HG2 THR 17 -12.160 -7.662 2.598 147 3HG2 THR 17 3HG2 THR 17 -12.800 -7.386 4.218 148 H LYS 18 H LYS 18 -9.830 -5.360 4.516 149 HA LYS 18 HA LYS 18 -11.400 -3.714 2.917 150 1HB LYS 18 2HB LYS 18 -10.580 -3.447 5.384 151 2HB LYS 18 1HB LYS 18 -9.250 -2.563 4.651 152 1HG LYS 18 2HG LYS 18 -11.260 -1.322 3.437 153 2HG LYS 18 1HG LYS 18 -12.100 -1.832 4.905 154 1HD LYS 18 2HD LYS 18 -9.443 -0.650 5.324 155 2HD LYS 18 1HD LYS 18 -10.660 0.452 4.682 156 1HE LYS 18 2HE LYS 18 -11.960 0.330 6.564 157 2HE LYS 18 1HE LYS 18 -11.400 -1.294 6.973 158 1HZ LYS 18 1HZ LYS 18 -10.100 1.295 7.502 159 2HZ LYS 18 2HZ LYS 18 -9.172 -0.108 7.395 160 3HZ LYS 18 3HZ LYS 18 -10.390 0.006 8.561 161 H THR 19 H THR 19 -8.013 -4.449 2.731 162 HA THR 19 HA THR 19 -7.271 -2.227 1.108 163 HB THR 19 HB THR 19 -5.816 -4.851 1.084 164 HG1 THR 19 1HG THR 19 -6.031 -3.025 3.224 165 1HG2 THR 19 1HG2 THR 19 -5.082 -1.992 0.757 166 2HG2 THR 19 2HG2 THR 19 -4.572 -3.406 -0.164 167 3HG2 THR 19 3HG2 THR 19 -3.898 -3.107 1.438 168 H ALA 20 H ALA 20 -8.490 -5.448 0.475 169 HA ALA 20 HA ALA 20 -7.939 -5.441 -2.322 170 1HB ALA 20 1HB ALA 20 -9.413 -7.175 -0.436 171 2HB ALA 20 2HB ALA 20 -8.219 -7.588 -1.665 172 3HB ALA 20 3HB ALA 20 -9.888 -7.264 -2.132 173 H LYS 21 H LYS 21 -10.540 -4.236 -0.348 174 HA LYS 21 HA LYS 21 -12.270 -3.844 -2.649 175 1HB LYS 21 2HB LYS 21 -13.530 -2.558 -0.590 176 2HB LYS 21 1HB LYS 21 -13.780 -4.238 -1.029 177 1HG LYS 21 2HG LYS 21 -12.200 -4.947 0.652 178 2HG LYS 21 1HG LYS 21 -11.830 -3.266 1.045 179 1HD LYS 21 2HD LYS 21 -14.670 -4.088 1.173 180 2HD LYS 21 1HD LYS 21 -13.600 -4.722 2.421 181 1HE LYS 21 2HE LYS 21 -12.820 -2.204 2.547 182 2HE LYS 21 1HE LYS 21 -14.420 -1.915 1.859 183 1HZ LYS 21 1HZ LYS 21 -15.280 -3.340 3.737 184 2HZ LYS 21 2HZ LYS 21 -14.690 -1.818 4.173 185 3HZ LYS 21 3HZ LYS 21 -13.750 -3.200 4.441 186 H ASP 22 H ASP 22 -10.130 -2.032 -0.576 187 HA ASP 22 HA ASP 22 -11.020 0.560 -1.268 188 1HB ASP 22 2HB ASP 22 -8.748 -0.634 0.149 189 2HB ASP 22 1HB ASP 22 -8.371 0.885 -0.669 190 H LEU 23 H LEU 23 -8.929 -1.742 -2.822 191 HA LEU 23 HA LEU 23 -8.023 0.246 -4.761 192 1HB LEU 23 2HB LEU 23 -7.213 -2.564 -4.108 193 2HB LEU 23 1HB LEU 23 -6.776 -1.859 -5.654 194 HG LEU 23 HG LEU 23 -5.942 0.090 -3.938 195 1HD1 LEU 23 1HD1 LEU 23 -5.677 -2.561 -2.546 196 2HD1 LEU 23 2HD1 LEU 23 -6.355 -1.057 -1.921 197 3HD1 LEU 23 3HD1 LEU 23 -4.620 -1.192 -2.203 198 1HD2 LEU 23 1HD2 LEU 23 -3.714 -0.680 -4.412 199 2HD2 LEU 23 2HD2 LEU 23 -4.719 -0.938 -5.836 200 3HD2 LEU 23 3HD2 LEU 23 -4.308 -2.297 -4.790 201 H GLY 24 H GLY 24 -9.619 -2.943 -4.745 202 1HA GLY 24 2HA GLY 24 -11.740 -2.845 -6.177 203 2HA GLY 24 1HA GLY 24 -10.630 -2.342 -7.447 204 H VAL 25 H VAL 25 -8.571 -4.227 -6.248 205 HA VAL 25 HA VAL 25 -9.306 -6.501 -7.854 206 HB VAL 25 HB VAL 25 -7.083 -7.409 -7.090 207 1HG1 VAL 25 1HG1 VAL 25 -7.088 -6.357 -9.179 208 2HG1 VAL 25 2HG1 VAL 25 -5.773 -5.576 -8.302 209 3HG1 VAL 25 3HG1 VAL 25 -7.325 -4.757 -8.473 210 1HG2 VAL 25 1HG2 VAL 25 -6.637 -4.668 -5.934 211 2HG2 VAL 25 2HG2 VAL 25 -5.597 -6.088 -5.821 212 3HG2 VAL 25 3HG2 VAL 25 -7.129 -6.045 -4.947 213 H GLN 26 H GLN 26 -8.580 -8.729 -6.790 214 HA GLN 26 HA GLN 26 -10.410 -9.118 -4.580 215 1HB GLN 26 2HB GLN 26 -9.956 -11.530 -4.950 216 2HB GLN 26 1HB GLN 26 -10.520 -10.705 -6.394 217 1HG GLN 26 2HG GLN 26 -7.750 -10.505 -6.499 218 2HG GLN 26 1HG GLN 26 -8.074 -12.145 -5.942 219 1HE2 GLN 26 1HE2 GLN 26 -9.065 -9.808 -8.410 220 2HE2 GLN 26 2HE2 GLN 26 -9.310 -10.972 -9.663 221 H GLN 27 H GLN 27 -9.549 -10.998 -3.018 222 HA GLN 27 HA GLN 27 -7.325 -9.778 -1.616 223 1HB GLN 27 2HB GLN 27 -9.075 -12.121 -0.851 224 2HB GLN 27 1HB GLN 27 -7.893 -11.347 0.195 225 1HG GLN 27 2HG GLN 27 -9.397 -9.870 0.850 226 2HG GLN 27 1HG GLN 27 -9.645 -9.350 -0.816 227 1HE2 GLN 27 1HE2 GLN 27 -10.770 -11.402 1.750 228 2HE2 GLN 27 2HE2 GLN 27 -12.300 -11.785 1.045 229 H SER 28 H SER 28 -7.908 -12.486 -3.648 230 HA SER 28 HA SER 28 -5.857 -14.208 -2.802 231 1HB SER 28 2HB SER 28 -7.532 -13.910 -5.224 232 2HB SER 28 1HB SER 28 -6.009 -14.769 -5.446 233 HG SER 28 HG SER 28 -8.192 -15.417 -3.787 234 H ALA 29 H ALA 29 -5.813 -11.304 -4.711 235 HA ALA 29 HA ALA 29 -3.147 -11.767 -5.735 236 1HB ALA 29 1HB ALA 29 -4.210 -10.505 -7.286 237 2HB ALA 29 2HB ALA 29 -3.574 -9.185 -6.306 238 3HB ALA 29 3HB ALA 29 -5.243 -9.715 -6.095 239 H ILE 30 H ILE 30 -4.683 -9.815 -3.230 240 HA ILE 30 HA ILE 30 -2.435 -8.287 -2.509 241 HB ILE 30 HB ILE 30 -4.624 -9.175 -0.630 242 1HG1 ILE 30 2HG1 ILE 30 -5.690 -8.260 -2.599 243 2HG1 ILE 30 1HG1 ILE 30 -5.779 -7.070 -1.305 244 1HG2 ILE 30 1HG2 ILE 30 -2.852 -6.737 -0.658 245 2HG2 ILE 30 2HG2 ILE 30 -2.734 -8.102 0.451 246 3HG2 ILE 30 3HG2 ILE 30 -4.148 -7.050 0.496 247 1HD1 ILE 30 1HD1 ILE 30 -5.176 -5.752 -3.064 248 2HD1 ILE 30 2HD1 ILE 30 -4.217 -7.020 -3.830 249 3HD1 ILE 30 3HD1 ILE 30 -3.588 -6.167 -2.419 250 H ASN 31 H ASN 31 -3.621 -11.414 -1.355 251 HA ASN 31 HA ASN 31 -1.711 -11.751 0.690 252 1HB ASN 31 2HB ASN 31 -3.872 -13.245 -0.425 253 2HB ASN 31 1HB ASN 31 -2.464 -14.299 -0.338 254 1HD2 ASN 31 1HD2 ASN 31 -5.095 -13.897 1.212 255 2HD2 ASN 31 2HD2 ASN 31 -4.585 -13.975 2.870 256 H LYS 32 H LYS 32 -1.707 -12.542 -2.738 257 HA LYS 32 HA LYS 32 0.693 -14.063 -2.652 258 1HB LYS 32 2HB LYS 32 -0.643 -12.723 -5.004 259 2HB LYS 32 1HB LYS 32 0.623 -13.939 -5.100 260 1HG LYS 32 2HG LYS 32 -1.868 -14.600 -3.619 261 2HG LYS 32 1HG LYS 32 -1.909 -14.573 -5.383 262 1HD LYS 32 2HD LYS 32 -1.077 -16.638 -5.363 263 2HD LYS 32 1HD LYS 32 0.422 -15.969 -4.714 264 1HE LYS 32 2HE LYS 32 -0.188 -16.450 -2.505 265 2HE LYS 32 1HE LYS 32 -1.887 -16.655 -2.926 266 1HZ LYS 32 1HZ LYS 32 -0.753 -18.562 -4.409 267 2HZ LYS 32 2HZ LYS 32 -1.351 -18.820 -2.849 268 3HZ LYS 32 3HZ LYS 32 0.301 -18.548 -3.085 269 H TRP 33 H TRP 33 -0.048 -10.694 -2.941 270 HA TRP 33 HA TRP 33 2.388 -9.844 -4.090 271 1HB TRP 33 2HB TRP 33 0.207 -8.525 -2.526 272 2HB TRP 33 1HB TRP 33 1.609 -7.620 -3.077 273 HD1 TRP 33 HD TRP 33 1.286 -9.781 -5.758 274 HE1 TRP 33 1HE TRP 33 -0.242 -8.900 -7.643 275 HE3 TRP 33 3HE TRP 33 -1.171 -6.232 -3.124 276 HZ2 TRP 33 2HZ TRP 33 -2.248 -6.930 -7.940 277 HZ3 TRP 33 3HZ TRP 33 -2.893 -4.873 -4.254 278 HH2 TRP 33 HH TRP 33 -3.423 -5.221 -6.616 279 H ILE 34 H ILE 34 1.219 -9.987 -0.734 280 HA ILE 34 HA ILE 34 3.780 -9.118 0.300 281 HB ILE 34 HB ILE 34 1.433 -10.172 1.874 282 1HG1 ILE 34 2HG1 ILE 34 2.024 -7.266 1.326 283 2HG1 ILE 34 1HG1 ILE 34 0.935 -8.204 0.310 284 1HG2 ILE 34 1HG2 ILE 34 2.574 -8.406 3.492 285 2HG2 ILE 34 2HG2 ILE 34 3.992 -8.830 2.534 286 3HG2 ILE 34 3HG2 ILE 34 3.111 -10.084 3.406 287 1HD1 ILE 34 1HD1 ILE 34 0.572 -7.206 3.068 288 2HD1 ILE 34 2HD1 ILE 34 -0.163 -8.755 2.657 289 3HD1 ILE 34 3HD1 ILE 34 -0.577 -7.310 1.734 290 H HIS 35 H HIS 35 2.190 -12.095 -0.403 291 HA HIS 35 HA HIS 35 3.386 -13.825 1.421 292 1HB HIS 35 2HB HIS 35 2.020 -14.051 -1.162 293 2HB HIS 35 1HB HIS 35 3.188 -15.332 -0.872 294 HD1 HIS 35 1HD HIS 35 1.587 -14.098 2.188 295 HD2 HIS 35 2HD HIS 35 0.846 -17.010 -0.682 296 HE1 HIS 35 1HE HIS 35 -0.123 -15.631 3.212 297 HE2 HIS 35 2HE HIS 35 -0.486 -17.438 1.495 298 H ALA 36 H ALA 36 4.652 -12.308 -1.420 299 HA ALA 36 HA ALA 36 7.140 -13.858 -1.162 300 1HB ALA 36 1HB ALA 36 6.457 -12.168 -3.538 301 2HB ALA 36 2HB ALA 36 5.812 -13.800 -3.364 302 3HB ALA 36 3HB ALA 36 7.556 -13.543 -3.429 303 H GLY 37 H GLY 37 5.971 -11.124 0.028 304 1HA GLY 37 2HA GLY 37 6.922 -9.209 0.856 305 2HA GLY 37 1HA GLY 37 8.478 -9.979 0.582 306 H ARG 38 H ARG 38 6.125 -9.301 -1.938 307 HA ARG 38 HA ARG 38 8.055 -7.983 -3.547 308 1HB ARG 38 2HB ARG 38 6.142 -9.233 -4.480 309 2HB ARG 38 1HB ARG 38 5.043 -8.026 -3.824 310 1HG ARG 38 2HG ARG 38 6.151 -6.319 -5.236 311 2HG ARG 38 1HG ARG 38 7.123 -7.604 -5.956 312 1HD ARG 38 2HD ARG 38 5.157 -8.680 -6.823 313 2HD ARG 38 1HD ARG 38 4.110 -7.549 -5.967 314 HE ARG 38 HE ARG 38 5.920 -6.277 -7.798 315 1HH1 ARG 38 1HH1 ARG 38 2.819 -7.844 -7.475 316 2HH1 ARG 38 2HH1 ARG 38 2.139 -7.061 -8.862 317 1HH2 ARG 38 1HH2 ARG 38 5.028 -5.247 -9.622 318 2HH2 ARG 38 2HH2 ARG 38 3.394 -5.589 -10.083 319 H LYS 39 H LYS 39 8.731 -5.954 -3.443 320 HA LYS 39 HA LYS 39 7.748 -4.078 -1.602 321 1HB LYS 39 2HB LYS 39 9.162 -2.442 -2.921 322 2HB LYS 39 1HB LYS 39 10.002 -3.856 -2.300 323 1HG LYS 39 2HG LYS 39 10.374 -4.718 -4.368 324 2HG LYS 39 1HG LYS 39 8.899 -4.023 -5.045 325 1HD LYS 39 2HD LYS 39 10.342 -2.605 -6.046 326 2HD LYS 39 1HD LYS 39 10.288 -1.775 -4.489 327 1HE LYS 39 2HE LYS 39 12.355 -2.550 -3.850 328 2HE LYS 39 1HE LYS 39 12.251 -3.981 -4.875 329 1HZ LYS 39 1HZ LYS 39 13.740 -1.868 -5.466 330 2HZ LYS 39 2HZ LYS 39 12.311 -1.423 -6.253 331 3HZ LYS 39 3HZ LYS 39 13.072 -2.882 -6.644 332 H ILE 40 H ILE 40 5.941 -2.934 -1.663 333 HA ILE 40 HA ILE 40 5.057 -1.730 -4.158 334 HB ILE 40 HB ILE 40 3.169 -3.448 -2.543 335 1HG1 ILE 40 2HG1 ILE 40 4.454 -3.947 -5.237 336 2HG1 ILE 40 1HG1 ILE 40 4.740 -4.858 -3.759 337 1HG2 ILE 40 1HG2 ILE 40 1.682 -3.059 -4.539 338 2HG2 ILE 40 2HG2 ILE 40 2.828 -1.821 -5.051 339 3HG2 ILE 40 3HG2 ILE 40 1.971 -1.651 -3.519 340 1HD1 ILE 40 1HD1 ILE 40 2.802 -5.307 -5.763 341 2HD1 ILE 40 2HD1 ILE 40 1.954 -4.873 -4.279 342 3HD1 ILE 40 3HD1 ILE 40 3.088 -6.224 -4.285 343 H PHE 41 H PHE 41 3.379 -0.112 -3.841 344 HA PHE 41 HA PHE 41 3.029 0.793 -1.079 345 1HB PHE 41 2HB PHE 41 4.101 2.496 -3.336 346 2HB PHE 41 1HB PHE 41 3.524 3.142 -1.803 347 HD1 PHE 41 1HD PHE 41 4.726 2.548 0.301 348 HD2 PHE 41 2HD PHE 41 6.262 1.588 -3.549 349 HE1 PHE 41 1HE PHE 41 6.961 2.227 1.277 350 HE2 PHE 41 2HE PHE 41 8.500 1.266 -2.580 351 HZ PHE 41 HZ PHE 41 8.851 1.585 -0.163 352 H LEU 42 H LEU 42 1.208 2.142 -0.749 353 HA LEU 42 HA LEU 42 -0.607 2.436 -3.032 354 1HB LEU 42 2HB LEU 42 -2.462 1.523 -1.871 355 2HB LEU 42 1HB LEU 42 -1.158 0.360 -1.743 356 HG LEU 42 HG LEU 42 -1.992 2.281 0.432 357 1HD1 LEU 42 1HD1 LEU 42 -3.001 -0.306 -0.365 358 2HD1 LEU 42 2HD1 LEU 42 -3.612 0.818 0.849 359 3HD1 LEU 42 3HD1 LEU 42 -2.355 -0.342 1.276 360 1HD2 LEU 42 1HD2 LEU 42 0.309 0.492 0.076 361 2HD2 LEU 42 2HD2 LEU 42 -0.524 0.337 1.621 362 3HD2 LEU 42 3HD2 LEU 42 0.113 1.902 1.116 363 H THR 43 H THR 43 -1.322 4.445 -3.180 364 HA THR 43 HA THR 43 -1.000 6.242 -0.910 365 HB THR 43 HB THR 43 -2.072 7.221 -3.500 366 HG1 THR 43 1HG THR 43 0.589 6.307 -3.164 367 1HG2 THR 43 1HG2 THR 43 -0.551 8.272 -1.270 368 2HG2 THR 43 2HG2 THR 43 -1.513 9.112 -2.486 369 3HG2 THR 43 3HG2 THR 43 0.160 8.677 -2.833 370 H ILE 44 H ILE 44 -2.623 6.700 0.408 371 HA ILE 44 HA ILE 44 -5.316 5.882 -0.240 372 HB ILE 44 HB ILE 44 -4.359 7.365 2.209 373 1HG1 ILE 44 2HG1 ILE 44 -4.781 4.388 1.917 374 2HG1 ILE 44 1HG1 ILE 44 -3.205 5.155 1.758 375 1HG2 ILE 44 1HG2 ILE 44 -6.823 7.358 1.671 376 2HG2 ILE 44 2HG2 ILE 44 -6.381 6.684 3.241 377 3HG2 ILE 44 3HG2 ILE 44 -6.784 5.609 1.903 378 1HD1 ILE 44 1HD1 ILE 44 -3.255 5.882 4.026 379 2HD1 ILE 44 2HD1 ILE 44 -3.659 4.166 3.990 380 3HD1 ILE 44 3HD1 ILE 44 -4.931 5.368 4.208 381 H ASN 45 H ASN 45 -7.082 7.180 -0.561 382 HA ASN 45 HA ASN 45 -6.487 9.975 -1.226 383 1HB ASN 45 2HB ASN 45 -8.762 8.160 -2.040 384 2HB ASN 45 1HB ASN 45 -8.683 9.871 -2.448 385 1HD2 ASN 45 1HD2 ASN 45 -7.790 6.748 -3.322 386 2HD2 ASN 45 2HD2 ASN 45 -6.718 7.151 -4.627 387 H ALA 46 H ALA 46 -7.775 11.670 -0.472 388 HA ALA 46 HA ALA 46 -8.643 11.500 2.180 389 1HB ALA 46 1HB ALA 46 -8.151 13.655 1.687 390 2HB ALA 46 2HB ALA 46 -9.888 13.730 1.389 391 3HB ALA 46 3HB ALA 46 -8.769 13.536 0.039 392 H ASP 47 H ASP 47 -10.260 10.690 -0.740 393 HA ASP 47 HA ASP 47 -12.920 11.010 0.281 394 1HB ASP 47 2HB ASP 47 -13.490 9.711 -1.828 395 2HB ASP 47 1HB ASP 47 -12.690 11.266 -2.062 396 H GLY 48 H GLY 48 -10.500 8.559 0.327 397 1HA GLY 48 2HA GLY 48 -10.790 6.831 2.039 398 2HA GLY 48 1HA GLY 48 -12.470 6.703 1.526 399 H SER 49 H SER 49 -10.150 7.095 -0.982 400 HA SER 49 HA SER 49 -10.480 4.262 -1.682 401 1HB SER 49 2HB SER 49 -10.770 6.648 -3.194 402 2HB SER 49 1HB SER 49 -9.421 5.747 -3.862 403 HG SER 49 HG SER 49 -11.800 5.288 -4.486 404 H VAL 50 H VAL 50 -8.610 3.357 -2.999 405 HA VAL 50 HA VAL 50 -6.009 4.456 -2.302 406 HB VAL 50 HB VAL 50 -6.457 1.574 -1.625 407 1HG1 VAL 50 1HG1 VAL 50 -4.223 3.119 -1.762 408 2HG1 VAL 50 2HG1 VAL 50 -4.379 1.653 -0.793 409 3HG1 VAL 50 3HG1 VAL 50 -4.630 3.233 -0.049 410 1HG2 VAL 50 1HG2 VAL 50 -8.138 2.835 -0.343 411 2HG2 VAL 50 2HG2 VAL 50 -6.856 3.856 0.308 412 3HG2 VAL 50 3HG2 VAL 50 -6.895 2.134 0.693 413 H TYR 51 H TYR 51 -4.407 3.885 -3.722 414 HA TYR 51 HA TYR 51 -5.079 1.886 -5.769 415 1HB TYR 51 2HB TYR 51 -4.188 3.294 -7.519 416 2HB TYR 51 1HB TYR 51 -5.434 4.183 -6.654 417 HD1 TYR 51 1HD TYR 51 -1.737 3.737 -6.807 418 HD2 TYR 51 2HD TYR 51 -4.980 6.319 -5.850 419 HE1 TYR 51 1HE TYR 51 -0.153 5.583 -6.447 420 HE2 TYR 51 2HE TYR 51 -3.406 8.174 -5.489 421 HH TYR 51 HH TYR 51 -0.012 7.694 -5.308 422 H ALA 52 H ALA 52 -3.459 0.545 -6.380 423 HA ALA 52 HA ALA 52 -1.046 0.608 -4.773 424 1HB ALA 52 1HB ALA 52 -0.707 -1.572 -6.289 425 2HB ALA 52 2HB ALA 52 -2.459 -1.406 -6.408 426 3HB ALA 52 3HB ALA 52 -1.692 -1.559 -4.827 427 H GLU 53 H GLU 53 0.987 0.986 -5.485 428 HA GLU 53 HA GLU 53 1.363 1.512 -8.356 429 1HB GLU 53 2HB GLU 53 2.758 3.435 -7.838 430 2HB GLU 53 1HB GLU 53 1.157 3.648 -7.144 431 1HG GLU 53 2HG GLU 53 1.935 3.213 -4.963 432 2HG GLU 53 1HG GLU 53 3.477 2.596 -5.557 433 H GLU 54 H GLU 54 3.764 1.621 -8.909 434 HA GLU 54 HA GLU 54 5.270 -0.324 -7.290 435 1HB GLU 54 2HB GLU 54 4.213 -0.950 -9.698 436 2HB GLU 54 1HB GLU 54 5.765 -0.299 -10.207 437 1HG GLU 54 2HG GLU 54 6.494 -1.952 -8.166 438 2HG GLU 54 1HG GLU 54 5.123 -2.813 -8.868 439 H VAL 55 H VAL 55 7.632 -0.273 -7.718 440 HA VAL 55 HA VAL 55 8.544 2.435 -8.445 441 HB VAL 55 HB VAL 55 9.769 0.732 -6.274 442 1HG1 VAL 55 1HG1 VAL 55 10.401 3.337 -7.510 443 2HG1 VAL 55 2HG1 VAL 55 11.465 2.140 -6.771 444 3HG1 VAL 55 3HG1 VAL 55 10.542 3.249 -5.754 445 1HG2 VAL 55 1HG2 VAL 55 7.904 3.086 -5.989 446 2HG2 VAL 55 2HG2 VAL 55 8.726 2.250 -4.672 447 3HG2 VAL 55 3HG2 VAL 55 7.508 1.406 -5.629 448 H LYS 56 H LYS 56 9.501 2.140 -10.372 449 HA LYS 56 HA LYS 56 11.740 0.261 -10.491 450 1HB LYS 56 2HB LYS 56 9.855 -0.914 -11.514 451 2HB LYS 56 1HB LYS 56 9.573 0.446 -12.591 452 1HG LYS 56 2HG LYS 56 11.909 0.063 -13.475 453 2HG LYS 56 1HG LYS 56 11.894 -1.458 -12.579 454 1HD LYS 56 2HD LYS 56 9.607 -0.843 -14.385 455 2HD LYS 56 1HD LYS 56 11.139 -1.346 -15.104 456 1HE LYS 56 2HE LYS 56 11.096 -3.423 -14.009 457 2HE LYS 56 1HE LYS 56 9.854 -2.893 -12.875 458 1HZ LYS 56 1HZ LYS 56 9.169 -2.877 -15.714 459 2HZ LYS 56 2HZ LYS 56 8.206 -3.241 -14.371 460 3HZ LYS 56 3HZ LYS 56 9.302 -4.388 -14.962 461 HA PRO 57 HA PRO 57 13.706 3.816 -12.269 462 1HB PRO 57 2HB PRO 57 15.869 2.610 -13.378 463 2HB PRO 57 1HB PRO 57 15.702 2.869 -11.637 464 1HG PRO 57 2HG PRO 57 15.184 0.395 -13.242 465 2HG PRO 57 1HG PRO 57 16.004 0.564 -11.678 466 1HD PRO 57 2HD PRO 57 13.433 -0.257 -11.894 467 2HD PRO 57 1HD PRO 57 14.021 0.687 -10.509 468 H ASP 58 H ASP 58 15.118 4.044 -14.533 469 HA ASP 58 HA ASP 58 13.225 3.240 -16.645 470 1HB ASP 58 2HB ASP 58 13.295 5.698 -16.105 471 2HB ASP 58 1HB ASP 58 14.975 5.707 -16.649 472 HA PRO 59 HA PRO 59 17.484 1.482 -17.555 473 1HB PRO 59 2HB PRO 59 16.685 -1.087 -17.900 474 2HB PRO 59 1HB PRO 59 17.131 -0.428 -16.322 475 1HG PRO 59 2HG PRO 59 14.410 -0.833 -17.504 476 2HG PRO 59 1HG PRO 59 14.979 -1.182 -15.860 477 1HD PRO 59 2HD PRO 59 13.556 1.039 -16.469 478 2HD PRO 59 1HD PRO 59 14.794 1.019 -15.196 479 H SER 60 H SER 60 16.427 2.983 -19.389 480 HA SER 60 HA SER 60 15.684 1.295 -21.676 481 1HB SER 60 2HB SER 60 14.171 3.191 -21.090 482 2HB SER 60 1HB SER 60 15.496 4.305 -21.427 483 HG SER 60 HG SER 60 14.097 2.629 -23.214 484 H ASN 61 H ASN 61 18.393 1.429 -20.712 485 HA ASN 61 HA ASN 61 19.696 2.815 -22.963 486 1HB ASN 61 2HB ASN 61 20.317 2.713 -20.122 487 2HB ASN 61 1HB ASN 61 21.689 2.218 -21.109 488 1HD2 ASN 61 1HD2 ASN 61 21.421 3.767 -23.316 489 2HD2 ASN 61 2HD2 ASN 61 21.592 5.442 -22.892 490 H LYS 62 H LYS 62 20.781 1.625 -24.399 491 HA LYS 62 HA LYS 62 21.170 -1.231 -23.798 492 1HB LYS 62 2HB LYS 62 20.167 0.196 -26.122 493 2HB LYS 62 1HB LYS 62 21.483 -0.889 -26.548 494 1HG LYS 62 2HG LYS 62 19.102 -1.762 -24.938 495 2HG LYS 62 1HG LYS 62 19.165 -1.848 -26.699 496 1HD LYS 62 2HD LYS 62 21.544 -3.015 -25.879 497 2HD LYS 62 1HD LYS 62 20.357 -3.592 -24.708 498 1HE LYS 62 2HE LYS 62 20.467 -5.136 -26.554 499 2HE LYS 62 1HE LYS 62 18.912 -4.305 -26.583 500 1HZ LYS 62 1HZ LYS 62 19.968 -4.491 -28.787 501 2HZ LYS 62 2HZ LYS 62 21.252 -3.535 -28.241 502 3HZ LYS 62 3HZ LYS 62 19.691 -2.884 -28.328 503 H LYS 63 H LYS 63 22.748 1.708 -24.761 504 HA LYS 63 HA LYS 63 25.190 0.430 -25.591 505 1HB LYS 63 2HB LYS 63 24.235 3.236 -25.288 506 2HB LYS 63 1HB LYS 63 25.969 2.954 -25.287 507 1HG LYS 63 2HG LYS 63 25.991 2.225 -27.472 508 2HG LYS 63 1HG LYS 63 24.283 1.778 -27.448 509 1HD LYS 63 2HD LYS 63 23.588 4.022 -27.618 510 2HD LYS 63 1HD LYS 63 25.189 4.634 -27.200 511 1HE LYS 63 2HE LYS 63 25.526 4.856 -29.394 512 2HE LYS 63 1HE LYS 63 25.659 3.098 -29.443 513 1HZ LYS 63 1HZ LYS 63 23.277 4.757 -30.027 514 2HZ LYS 63 2HZ LYS 63 23.175 3.091 -29.758 515 3HZ LYS 63 3HZ LYS 63 24.078 3.684 -31.059 516 H THR 64 H THR 64 26.966 0.018 -24.405 517 HA THR 64 HA THR 64 27.248 1.188 -21.750 518 HB THR 64 HB THR 64 27.904 -1.324 -21.079 519 HG1 THR 64 1HG THR 64 26.596 -2.789 -22.052 520 1HG2 THR 64 1HG2 THR 64 26.403 -0.423 -19.631 521 2HG2 THR 64 2HG2 THR 64 25.365 -1.585 -20.452 522 3HG2 THR 64 3HG2 THR 64 25.317 0.117 -20.911 523 H THR 65 H THR 65 29.064 2.268 -22.514 524 HA THR 65 HA THR 65 31.466 0.639 -22.644 525 HB THR 65 HB THR 65 32.119 2.229 -24.682 526 HG1 THR 65 1HG THR 65 30.086 3.239 -24.777 527 1HG2 THR 65 1HG2 THR 65 31.833 -0.379 -24.520 528 2HG2 THR 65 2HG2 THR 65 31.986 0.440 -26.074 529 3HG2 THR 65 3HG2 THR 65 30.396 -0.044 -25.486 530 H ALA 66 H ALA 66 30.125 3.920 -22.890 531 HA ALA 66 HA ALA 66 32.497 5.210 -21.991 532 1HB ALA 66 1HB ALA 66 30.501 6.175 -23.330 533 2HB ALA 66 2HB ALA 66 31.320 7.199 -22.150 534 3HB ALA 66 3HB ALA 66 29.782 6.441 -21.741 Start of MODEL 17 1 1H MET 1 1HT MET 1 4.742 16.644 1.610 2 2H MET 1 2HT MET 1 3.468 16.449 0.476 3 3H MET 1 3HT MET 1 4.901 15.516 0.329 4 HA MET 1 HA MET 1 4.436 14.403 2.358 5 1HB MET 1 2HB MET 1 3.133 16.556 3.121 6 2HB MET 1 1HB MET 1 1.747 15.720 2.432 7 1HG MET 1 2HG MET 1 2.544 13.738 3.907 8 2HG MET 1 1HG MET 1 3.418 14.988 4.792 9 1HE MET 1 1HE MET 1 1.045 13.188 6.313 10 2HE MET 1 2HE MET 1 0.588 14.579 7.296 11 3HE MET 1 3HE MET 1 2.282 14.308 6.885 12 H GLU 2 H GLU 2 3.943 12.409 1.735 13 HA GLU 2 HA GLU 2 1.734 12.034 -0.181 14 1HB GLU 2 2HB GLU 2 4.338 11.571 -0.759 15 2HB GLU 2 1HB GLU 2 3.882 10.000 -0.113 16 1HG GLU 2 2HG GLU 2 3.186 9.529 -2.167 17 2HG GLU 2 1HG GLU 2 1.812 10.573 -1.814 18 H GLN 3 H GLN 3 0.847 9.770 -0.143 19 HA GLN 3 HA GLN 3 0.860 8.687 2.596 20 1HB GLN 3 2HB GLN 3 -1.306 9.866 1.217 21 2HB GLN 3 1HB GLN 3 -1.626 8.139 1.255 22 1HG GLN 3 2HG GLN 3 -2.285 8.278 3.355 23 2HG GLN 3 1HG GLN 3 -0.722 8.944 3.827 24 1HE2 GLN 3 1HE2 GLN 3 -0.458 11.190 3.923 25 2HE2 GLN 3 2HE2 GLN 3 -1.821 12.260 4.032 26 H ARG 4 H ARG 4 2.517 7.798 0.499 27 HA ARG 4 HA ARG 4 1.317 5.386 -0.580 28 1HB ARG 4 2HB ARG 4 3.667 5.059 -1.521 29 2HB ARG 4 1HB ARG 4 2.754 6.442 -2.107 30 1HG ARG 4 2HG ARG 4 4.068 7.963 -0.967 31 2HG ARG 4 1HG ARG 4 4.637 6.758 0.189 32 1HD ARG 4 2HD ARG 4 6.120 5.812 -1.355 33 2HD ARG 4 1HD ARG 4 5.314 6.570 -2.727 34 HE ARG 4 HE ARG 4 6.212 8.684 -1.308 35 1HH1 ARG 4 1HH1 ARG 4 7.763 5.790 -2.490 36 2HH1 ARG 4 2HH1 ARG 4 9.310 6.544 -2.671 37 1HH2 ARG 4 1HH2 ARG 4 8.246 9.678 -1.548 38 2HH2 ARG 4 2HH2 ARG 4 9.585 8.751 -2.137 39 H ILE 5 H ILE 5 0.893 4.343 1.443 40 HA ILE 5 HA ILE 5 3.068 3.607 3.167 41 HB ILE 5 HB ILE 5 0.308 2.400 3.148 42 1HG1 ILE 5 2HG1 ILE 5 1.024 4.681 4.917 43 2HG1 ILE 5 1HG1 ILE 5 0.620 5.018 3.250 44 1HG2 ILE 5 1HG2 ILE 5 0.915 2.404 5.687 45 2HG2 ILE 5 2HG2 ILE 5 2.571 2.518 5.091 46 3HG2 ILE 5 3HG2 ILE 5 1.560 1.150 4.626 47 1HD1 ILE 5 1HD1 ILE 5 -1.545 3.981 3.527 48 2HD1 ILE 5 2HD1 ILE 5 -1.307 5.235 4.745 49 3HD1 ILE 5 3HD1 ILE 5 -1.138 3.535 5.184 50 H THR 6 H THR 6 3.461 1.359 3.732 51 HA THR 6 HA THR 6 4.037 -0.183 1.368 52 HB THR 6 HB THR 6 4.948 -1.834 3.126 53 HG1 THR 6 1HG THR 6 4.756 0.402 4.836 54 1HG2 THR 6 1HG2 THR 6 6.210 0.097 1.869 55 2HG2 THR 6 2HG2 THR 6 6.976 -0.810 3.173 56 3HG2 THR 6 3HG2 THR 6 6.292 0.785 3.490 57 H LEU 7 H LEU 7 3.229 -2.202 0.824 58 HA LEU 7 HA LEU 7 0.523 -2.673 1.276 59 1HB LEU 7 2HB LEU 7 1.874 -3.550 -0.629 60 2HB LEU 7 1HB LEU 7 2.588 -4.718 0.466 61 HG LEU 7 HG LEU 7 0.201 -5.531 0.902 62 1HD1 LEU 7 1HD1 LEU 7 -1.540 -4.801 -0.331 63 2HD1 LEU 7 2HD1 LEU 7 -0.549 -4.520 -1.762 64 3HD1 LEU 7 3HD1 LEU 7 -0.560 -3.339 -0.453 65 1HD2 LEU 7 1HD2 LEU 7 1.481 -5.863 -1.807 66 2HD2 LEU 7 2HD2 LEU 7 0.204 -6.895 -1.163 67 3HD2 LEU 7 3HD2 LEU 7 1.777 -6.838 -0.368 68 H LYS 8 H LYS 8 3.366 -4.021 2.876 69 HA LYS 8 HA LYS 8 2.051 -5.980 4.398 70 1HB LYS 8 2HB LYS 8 4.556 -5.696 4.025 71 2HB LYS 8 1HB LYS 8 4.505 -4.472 5.288 72 1HG LYS 8 2HG LYS 8 4.619 -6.027 6.856 73 2HG LYS 8 1HG LYS 8 3.191 -6.837 6.210 74 1HD LYS 8 2HD LYS 8 4.705 -8.519 5.948 75 2HD LYS 8 1HD LYS 8 4.956 -7.683 4.415 76 1HE LYS 8 2HE LYS 8 6.565 -7.059 6.877 77 2HE LYS 8 1HE LYS 8 7.035 -8.319 5.738 78 1HZ LYS 8 1HZ LYS 8 6.530 -5.522 4.903 79 2HZ LYS 8 2HZ LYS 8 7.304 -6.745 4.028 80 3HZ LYS 8 3HZ LYS 8 8.059 -6.067 5.383 81 H ASP 9 H ASP 9 2.970 -2.644 5.230 82 HA ASP 9 HA ASP 9 1.936 -2.650 7.834 83 1HB ASP 9 2HB ASP 9 2.325 -0.374 5.882 84 2HB ASP 9 1HB ASP 9 1.897 -0.152 7.575 85 H TYR 10 H TYR 10 0.474 -1.291 4.874 86 HA TYR 10 HA TYR 10 -1.986 -0.619 5.994 87 1HB TYR 10 2HB TYR 10 -1.162 0.111 3.751 88 2HB TYR 10 1HB TYR 10 -1.506 -1.505 3.144 89 HD1 TYR 10 1HD TYR 10 -3.922 -2.335 3.296 90 HD2 TYR 10 2HD TYR 10 -2.832 1.748 3.783 91 HE1 TYR 10 1HE TYR 10 -6.239 -1.667 2.818 92 HE2 TYR 10 2HE TYR 10 -5.147 2.428 3.306 93 HH TYR 10 HH TYR 10 -7.736 0.145 3.119 94 H ALA 11 H ALA 11 -0.801 -3.682 4.779 95 HA ALA 11 HA ALA 11 -3.310 -5.003 4.661 96 1HB ALA 11 1HB ALA 11 -2.004 -7.060 4.527 97 2HB ALA 11 2HB ALA 11 -0.551 -6.177 4.998 98 3HB ALA 11 3HB ALA 11 -1.341 -5.819 3.463 99 H MET 12 H MET 12 -0.722 -5.013 7.109 100 HA MET 12 HA MET 12 -2.206 -6.605 8.938 101 1HB MET 12 2HB MET 12 0.442 -5.446 8.786 102 2HB MET 12 1HB MET 12 -0.238 -5.263 10.396 103 1HG MET 12 2HG MET 12 -0.135 -7.463 10.839 104 2HG MET 12 1HG MET 12 -0.539 -7.926 9.187 105 1HE MET 12 1HE MET 12 2.578 -5.392 9.482 106 2HE MET 12 2HE MET 12 3.620 -6.441 10.444 107 3HE MET 12 3HE MET 12 2.067 -5.910 11.087 108 H ARG 13 H ARG 13 -1.976 -3.228 8.289 109 HA ARG 13 HA ARG 13 -3.177 -2.462 10.820 110 1HB ARG 13 2HB ARG 13 -1.416 -1.161 9.305 111 2HB ARG 13 1HB ARG 13 -2.892 -0.523 8.581 112 1HG ARG 13 2HG ARG 13 -3.529 -0.112 11.114 113 2HG ARG 13 1HG ARG 13 -1.769 -0.110 11.298 114 1HD ARG 13 2HD ARG 13 -2.757 1.471 9.035 115 2HD ARG 13 1HD ARG 13 -3.280 2.056 10.613 116 HE ARG 13 HE ARG 13 -1.097 2.613 11.115 117 1HH1 ARG 13 1HH1 ARG 13 -1.201 0.805 8.128 118 2HH1 ARG 13 2HH1 ARG 13 0.436 1.171 7.706 119 1HH2 ARG 13 1HH2 ARG 13 1.059 3.088 10.559 120 2HH2 ARG 13 2HH2 ARG 13 1.721 2.464 9.085 121 H PHE 14 H PHE 14 -4.019 -1.912 7.394 122 HA PHE 14 HA PHE 14 -6.789 -1.509 8.132 123 1HB PHE 14 2HB PHE 14 -5.259 -1.216 5.551 124 2HB PHE 14 1HB PHE 14 -6.980 -0.922 5.705 125 HD1 PHE 14 1HD PHE 14 -7.797 0.970 7.057 126 HD2 PHE 14 2HD PHE 14 -3.659 0.348 6.381 127 HE1 PHE 14 1HE PHE 14 -7.340 3.256 7.783 128 HE2 PHE 14 2HE PHE 14 -3.189 2.626 7.111 129 HZ PHE 14 HZ PHE 14 -5.036 4.065 7.803 130 H GLY 15 H GLY 15 -5.343 -4.229 8.077 131 1HA GLY 15 2HA GLY 15 -5.861 -6.390 7.514 132 2HA GLY 15 1HA GLY 15 -7.508 -5.807 7.329 133 H GLN 16 H GLN 16 -6.751 -7.826 5.746 134 HA GLN 16 HA GLN 16 -5.692 -6.900 3.238 135 1HB GLN 16 2HB GLN 16 -6.780 -9.497 4.258 136 2HB GLN 16 1HB GLN 16 -6.590 -9.259 2.527 137 1HG GLN 16 2HG GLN 16 -4.263 -9.027 2.702 138 2HG GLN 16 1HG GLN 16 -4.336 -8.793 4.449 139 1HE2 GLN 16 1HE2 GLN 16 -3.293 -10.867 2.279 140 2HE2 GLN 16 2HE2 GLN 16 -3.566 -12.377 3.090 141 H THR 17 H THR 17 -8.849 -7.390 4.637 142 HA THR 17 HA THR 17 -10.350 -7.393 2.253 143 HB THR 17 HB THR 17 -11.180 -6.496 5.020 144 HG1 THR 17 1HG THR 17 -10.420 -8.651 4.942 145 1HG2 THR 17 1HG2 THR 17 -12.650 -6.092 2.822 146 2HG2 THR 17 2HG2 THR 17 -13.330 -6.472 4.403 147 3HG2 THR 17 3HG2 THR 17 -13.120 -7.747 3.204 148 H LYS 18 H LYS 18 -9.804 -4.761 4.597 149 HA LYS 18 HA LYS 18 -11.060 -2.733 3.185 150 1HB LYS 18 2HB LYS 18 -9.777 -2.889 5.568 151 2HB LYS 18 1HB LYS 18 -8.618 -1.946 4.638 152 1HG LYS 18 2HG LYS 18 -11.340 -1.002 4.302 153 2HG LYS 18 1HG LYS 18 -10.810 -0.972 5.985 154 1HD LYS 18 2HD LYS 18 -8.651 0.104 4.936 155 2HD LYS 18 1HD LYS 18 -9.758 0.515 3.626 156 1HE LYS 18 2HE LYS 18 -10.640 1.084 6.400 157 2HE LYS 18 1HE LYS 18 -9.374 2.107 5.723 158 1HZ LYS 18 1HZ LYS 18 -11.120 2.083 3.717 159 2HZ LYS 18 2HZ LYS 18 -11.130 3.249 4.944 160 3HZ LYS 18 3HZ LYS 18 -12.180 1.929 5.023 161 H THR 19 H THR 19 -7.950 -4.188 2.671 162 HA THR 19 HA THR 19 -6.925 -2.087 1.009 163 HB THR 19 HB THR 19 -5.949 -4.935 1.027 164 HG1 THR 19 1HG THR 19 -5.150 -4.679 2.955 165 1HG2 THR 19 1HG2 THR 19 -4.322 -4.107 -0.217 166 2HG2 THR 19 2HG2 THR 19 -3.831 -3.126 1.163 167 3HG2 THR 19 3HG2 THR 19 -4.945 -2.468 -0.036 168 H ALA 20 H ALA 20 -8.327 -5.296 0.426 169 HA ALA 20 HA ALA 20 -8.149 -5.091 -2.417 170 1HB ALA 20 1HB ALA 20 -10.130 -6.941 -1.263 171 2HB ALA 20 2HB ALA 20 -8.465 -7.167 -0.739 172 3HB ALA 20 3HB ALA 20 -8.867 -7.229 -2.455 173 H LYS 21 H LYS 21 -10.450 -4.078 -0.041 174 HA LYS 21 HA LYS 21 -12.650 -3.829 -1.885 175 1HB LYS 21 2HB LYS 21 -12.320 -3.774 0.923 176 2HB LYS 21 1HB LYS 21 -13.000 -2.217 0.466 177 1HG LYS 21 2HG LYS 21 -14.920 -3.177 -0.423 178 2HG LYS 21 1HG LYS 21 -14.180 -4.773 -0.547 179 1HD LYS 21 2HD LYS 21 -14.020 -4.669 2.016 180 2HD LYS 21 1HD LYS 21 -15.180 -3.346 1.898 181 1HE LYS 21 2HE LYS 21 -15.870 -5.760 0.365 182 2HE LYS 21 1HE LYS 21 -15.850 -5.963 2.116 183 1HZ LYS 21 1HZ LYS 21 -17.490 -4.088 0.513 184 2HZ LYS 21 2HZ LYS 21 -17.290 -3.906 2.183 185 3HZ LYS 21 3HZ LYS 21 -18.020 -5.301 1.566 186 H ASP 22 H ASP 22 -10.330 -1.625 -0.360 187 HA ASP 22 HA ASP 22 -11.440 0.738 -1.484 188 1HB ASP 22 2HB ASP 22 -9.079 0.007 0.108 189 2HB ASP 22 1HB ASP 22 -8.827 1.381 -0.970 190 H LEU 23 H LEU 23 -8.825 -1.436 -2.449 191 HA LEU 23 HA LEU 23 -8.109 0.165 -4.731 192 1HB LEU 23 2HB LEU 23 -6.950 -1.955 -3.273 193 2HB LEU 23 1HB LEU 23 -7.159 -2.541 -4.912 194 HG LEU 23 HG LEU 23 -6.018 0.139 -4.841 195 1HD1 LEU 23 1HD1 LEU 23 -4.979 -0.484 -2.804 196 2HD1 LEU 23 2HD1 LEU 23 -3.772 -0.684 -4.072 197 3HD1 LEU 23 3HD1 LEU 23 -4.599 -2.095 -3.410 198 1HD2 LEU 23 1HD2 LEU 23 -5.915 -1.015 -6.869 199 2HD2 LEU 23 2HD2 LEU 23 -5.369 -2.505 -6.099 200 3HD2 LEU 23 3HD2 LEU 23 -4.276 -1.127 -6.228 201 H GLY 24 H GLY 24 -10.210 -2.534 -4.070 202 1HA GLY 24 2HA GLY 24 -11.960 -3.312 -5.395 203 2HA GLY 24 1HA GLY 24 -11.390 -2.273 -6.696 204 H VAL 25 H VAL 25 -9.339 -4.565 -5.031 205 HA VAL 25 HA VAL 25 -9.185 -6.128 -7.524 206 HB VAL 25 HB VAL 25 -6.915 -6.837 -6.677 207 1HG1 VAL 25 1HG1 VAL 25 -6.017 -4.345 -7.071 208 2HG1 VAL 25 2HG1 VAL 25 -7.673 -4.150 -7.646 209 3HG1 VAL 25 3HG1 VAL 25 -6.625 -5.368 -8.373 210 1HG2 VAL 25 1HG2 VAL 25 -5.834 -5.432 -5.002 211 2HG2 VAL 25 2HG2 VAL 25 -7.250 -6.237 -4.326 212 3HG2 VAL 25 3HG2 VAL 25 -7.333 -4.534 -4.772 213 H GLN 26 H GLN 26 -8.122 -8.405 -6.922 214 HA GLN 26 HA GLN 26 -10.070 -9.693 -5.226 215 1HB GLN 26 2HB GLN 26 -7.981 -10.631 -7.150 216 2HB GLN 26 1HB GLN 26 -8.651 -11.764 -5.984 217 1HG GLN 26 2HG GLN 26 -10.690 -11.793 -6.973 218 2HG GLN 26 1HG GLN 26 -10.550 -10.145 -7.583 219 1HE2 GLN 26 1HE2 GLN 26 -8.350 -10.128 -9.052 220 2HE2 GLN 26 2HE2 GLN 26 -8.441 -11.263 -10.351 221 H GLN 27 H GLN 27 -9.748 -10.503 -3.248 222 HA GLN 27 HA GLN 27 -7.670 -9.653 -1.628 223 1HB GLN 27 2HB GLN 27 -9.216 -12.192 -1.142 224 2HB GLN 27 1HB GLN 27 -8.524 -11.103 0.052 225 1HG GLN 27 2HG GLN 27 -10.160 -9.379 -1.082 226 2HG GLN 27 1HG GLN 27 -11.020 -10.853 -1.526 227 1HE2 GLN 27 1HE2 GLN 27 -10.910 -8.488 0.685 228 2HE2 GLN 27 2HE2 GLN 27 -11.550 -9.314 2.061 229 H SER 28 H SER 28 -7.794 -12.332 -3.789 230 HA SER 28 HA SER 28 -5.735 -13.897 -2.648 231 1HB SER 28 2HB SER 28 -5.600 -14.877 -4.999 232 2HB SER 28 1HB SER 28 -7.169 -14.982 -4.202 233 HG SER 28 HG SER 28 -6.427 -12.939 -6.027 234 H ALA 29 H ALA 29 -5.770 -11.278 -5.006 235 HA ALA 29 HA ALA 29 -3.134 -11.454 -5.906 236 1HB ALA 29 1HB ALA 29 -3.420 -9.322 -6.809 237 2HB ALA 29 2HB ALA 29 -4.521 -8.822 -5.525 238 3HB ALA 29 3HB ALA 29 -5.057 -9.973 -6.749 239 H ILE 30 H ILE 30 -4.480 -9.775 -3.092 240 HA ILE 30 HA ILE 30 -2.108 -8.488 -2.292 241 HB ILE 30 HB ILE 30 -4.554 -9.334 -0.744 242 1HG1 ILE 30 2HG1 ILE 30 -4.949 -6.889 -0.665 243 2HG1 ILE 30 1HG1 ILE 30 -3.487 -6.638 -1.614 244 1HG2 ILE 30 1HG2 ILE 30 -3.459 -7.568 0.930 245 2HG2 ILE 30 2HG2 ILE 30 -1.981 -8.260 0.260 246 3HG2 ILE 30 3HG2 ILE 30 -3.162 -9.302 1.052 247 1HD1 ILE 30 1HD1 ILE 30 -5.757 -8.314 -2.618 248 2HD1 ILE 30 2HD1 ILE 30 -4.439 -7.577 -3.530 249 3HD1 ILE 30 3HD1 ILE 30 -5.707 -6.565 -2.837 250 H ASN 31 H ASN 31 -3.368 -11.712 -1.730 251 HA ASN 31 HA ASN 31 -1.535 -12.480 0.275 252 1HB ASN 31 2HB ASN 31 -3.728 -13.643 -0.976 253 2HB ASN 31 1HB ASN 31 -2.378 -14.663 -1.465 254 1HD2 ASN 31 1HD2 ASN 31 -0.806 -15.031 0.493 255 2HD2 ASN 31 2HD2 ASN 31 -1.595 -15.586 1.935 256 H LYS 32 H LYS 32 -1.538 -12.896 -3.251 257 HA LYS 32 HA LYS 32 0.896 -14.283 -3.435 258 1HB LYS 32 2HB LYS 32 -0.866 -12.801 -5.300 259 2HB LYS 32 1HB LYS 32 0.797 -13.042 -5.817 260 1HG LYS 32 2HG LYS 32 0.003 -14.957 -6.651 261 2HG LYS 32 1HG LYS 32 0.169 -15.533 -4.991 262 1HD LYS 32 2HD LYS 32 -2.260 -14.471 -4.793 263 2HD LYS 32 1HD LYS 32 -2.270 -14.813 -6.525 264 1HE LYS 32 2HE LYS 32 -1.607 -16.835 -4.391 265 2HE LYS 32 1HE LYS 32 -3.200 -16.647 -5.122 266 1HZ LYS 32 1HZ LYS 32 -0.958 -16.986 -6.950 267 2HZ LYS 32 2HZ LYS 32 -2.532 -17.599 -7.040 268 3HZ LYS 32 3HZ LYS 32 -1.392 -18.342 -6.036 269 H TRP 33 H TRP 33 0.139 -10.915 -3.128 270 HA TRP 33 HA TRP 33 2.624 -9.869 -3.969 271 1HB TRP 33 2HB TRP 33 0.372 -8.822 -2.291 272 2HB TRP 33 1HB TRP 33 1.758 -7.837 -2.728 273 HD1 TRP 33 HD TRP 33 1.526 -9.628 -5.642 274 HE1 TRP 33 1HE TRP 33 -0.027 -8.602 -7.424 275 HE3 TRP 33 3HE TRP 33 -1.124 -6.540 -2.629 276 HZ2 TRP 33 2HZ TRP 33 -2.123 -6.707 -7.510 277 HZ3 TRP 33 3HZ TRP 33 -2.899 -5.139 -3.614 278 HH2 TRP 33 HH TRP 33 -3.389 -5.225 -6.008 279 H ILE 34 H ILE 34 1.255 -10.599 -0.777 280 HA ILE 34 HA ILE 34 3.696 -9.874 0.582 281 HB ILE 34 HB ILE 34 1.310 -11.306 1.745 282 1HG1 ILE 34 2HG1 ILE 34 1.825 -8.326 1.668 283 2HG1 ILE 34 1HG1 ILE 34 0.693 -9.162 0.607 284 1HG2 ILE 34 1HG2 ILE 34 3.505 -9.659 2.990 285 2HG2 ILE 34 2HG2 ILE 34 3.275 -11.401 3.144 286 3HG2 ILE 34 3HG2 ILE 34 2.102 -10.289 3.850 287 1HD1 ILE 34 1HD1 ILE 34 -0.858 -9.382 2.223 288 2HD1 ILE 34 2HD1 ILE 34 -0.014 -7.992 2.903 289 3HD1 ILE 34 3HD1 ILE 34 0.340 -9.613 3.497 290 H HIS 35 H HIS 35 2.395 -12.701 -0.864 291 HA HIS 35 HA HIS 35 3.463 -14.742 0.676 292 1HB HIS 35 2HB HIS 35 2.026 -14.698 -1.584 293 2HB HIS 35 1HB HIS 35 3.605 -15.061 -2.270 294 HD1 HIS 35 1HD HIS 35 2.826 -17.445 -2.927 295 HD2 HIS 35 2HD HIS 35 2.691 -16.656 1.146 296 HE1 HIS 35 1HE HIS 35 2.519 -19.683 -1.822 297 HE2 HIS 35 2HE HIS 35 2.543 -19.192 0.650 298 H ALA 36 H ALA 36 4.930 -12.934 -1.940 299 HA ALA 36 HA ALA 36 7.531 -14.145 -1.301 300 1HB ALA 36 1HB ALA 36 6.582 -14.245 -3.656 301 2HB ALA 36 2HB ALA 36 8.239 -13.662 -3.485 302 3HB ALA 36 3HB ALA 36 6.924 -12.517 -3.748 303 H GLY 37 H GLY 37 5.897 -11.600 -0.263 304 1HA GLY 37 2HA GLY 37 6.516 -9.635 0.748 305 2HA GLY 37 1HA GLY 37 8.182 -10.170 0.586 306 H ARG 38 H ARG 38 5.616 -9.212 -1.698 307 HA ARG 38 HA ARG 38 7.504 -7.879 -3.395 308 1HB ARG 38 2HB ARG 38 5.304 -9.046 -4.070 309 2HB ARG 38 1HB ARG 38 4.516 -7.563 -3.549 310 1HG ARG 38 2HG ARG 38 4.882 -6.721 -5.561 311 2HG ARG 38 1HG ARG 38 6.614 -6.764 -5.224 312 1HD ARG 38 2HD ARG 38 6.796 -8.971 -6.160 313 2HD ARG 38 1HD ARG 38 5.045 -9.080 -6.347 314 HE ARG 38 HE ARG 38 5.718 -6.890 -7.807 315 1HH1 ARG 38 1HH1 ARG 38 6.798 -10.208 -7.780 316 2HH1 ARG 38 2HH1 ARG 38 7.184 -10.227 -9.468 317 1HH2 ARG 38 1HH2 ARG 38 6.225 -6.913 -10.027 318 2HH2 ARG 38 2HH2 ARG 38 6.859 -8.357 -10.744 319 H LYS 39 H LYS 39 8.396 -6.019 -2.777 320 HA LYS 39 HA LYS 39 7.294 -4.242 -0.892 321 1HB LYS 39 2HB LYS 39 9.749 -4.533 -1.808 322 2HB LYS 39 1HB LYS 39 9.249 -3.288 -2.943 323 1HG LYS 39 2HG LYS 39 8.508 -2.563 -0.259 324 2HG LYS 39 1HG LYS 39 10.230 -2.937 -0.356 325 1HD LYS 39 2HD LYS 39 9.228 -1.295 -2.569 326 2HD LYS 39 1HD LYS 39 9.107 -0.527 -0.985 327 1HE LYS 39 2HE LYS 39 11.659 -1.879 -1.489 328 2HE LYS 39 1HE LYS 39 11.329 -0.522 -2.565 329 1HZ LYS 39 1HZ LYS 39 11.521 0.957 -0.900 330 2HZ LYS 39 2HZ LYS 39 12.437 -0.259 -0.165 331 3HZ LYS 39 3HZ LYS 39 10.811 -0.056 0.254 332 H ILE 40 H ILE 40 5.168 -3.789 -1.555 333 HA ILE 40 HA ILE 40 4.942 -2.046 -3.923 334 HB ILE 40 HB ILE 40 2.752 -3.636 -2.578 335 1HG1 ILE 40 2HG1 ILE 40 4.250 -4.118 -5.164 336 2HG1 ILE 40 1HG1 ILE 40 4.318 -5.114 -3.713 337 1HG2 ILE 40 1HG2 ILE 40 1.487 -3.036 -4.664 338 2HG2 ILE 40 2HG2 ILE 40 2.777 -1.890 -5.030 339 3HG2 ILE 40 3HG2 ILE 40 1.810 -1.691 -3.570 340 1HD1 ILE 40 1HD1 ILE 40 1.981 -5.710 -3.998 341 2HD1 ILE 40 2HD1 ILE 40 2.919 -6.114 -5.436 342 3HD1 ILE 40 3HD1 ILE 40 1.885 -4.684 -5.429 343 H PHE 41 H PHE 41 3.421 -0.267 -3.777 344 HA PHE 41 HA PHE 41 2.968 0.682 -1.029 345 1HB PHE 41 2HB PHE 41 4.092 2.252 -3.353 346 2HB PHE 41 1HB PHE 41 3.476 3.003 -1.883 347 HD1 PHE 41 1HD PHE 41 4.628 2.635 0.266 348 HD2 PHE 41 2HD PHE 41 6.221 1.205 -3.412 349 HE1 PHE 41 1HE PHE 41 6.827 2.352 1.333 350 HE2 PHE 41 2HE PHE 41 8.423 0.919 -2.352 351 HZ PHE 41 HZ PHE 41 8.728 1.493 0.024 352 H LEU 42 H LEU 42 1.188 2.104 -0.753 353 HA LEU 42 HA LEU 42 -0.645 2.343 -3.024 354 1HB LEU 42 2HB LEU 42 -2.505 1.482 -1.831 355 2HB LEU 42 1HB LEU 42 -1.212 0.307 -1.678 356 HG LEU 42 HG LEU 42 -1.994 2.303 0.447 357 1HD1 LEU 42 1HD1 LEU 42 -2.375 -0.402 1.231 358 2HD1 LEU 42 2HD1 LEU 42 -3.207 -0.146 -0.302 359 3HD1 LEU 42 3HD1 LEU 42 -3.572 0.884 1.081 360 1HD2 LEU 42 1HD2 LEU 42 0.099 1.884 1.142 361 2HD2 LEU 42 2HD2 LEU 42 0.262 0.458 0.118 362 3HD2 LEU 42 3HD2 LEU 42 -0.567 0.338 1.670 363 H THR 43 H THR 43 -1.574 4.289 -3.156 364 HA THR 43 HA THR 43 -1.107 6.176 -0.976 365 HB THR 43 HB THR 43 -2.199 6.810 -3.714 366 HG1 THR 43 1HG THR 43 -0.277 5.942 -4.202 367 1HG2 THR 43 1HG2 THR 43 -1.529 8.398 -1.428 368 2HG2 THR 43 2HG2 THR 43 -2.248 8.885 -2.964 369 3HG2 THR 43 3HG2 THR 43 -0.494 8.820 -2.792 370 H ILE 44 H ILE 44 -2.662 6.654 0.413 371 HA ILE 44 HA ILE 44 -5.415 5.896 -0.190 372 HB ILE 44 HB ILE 44 -4.355 7.011 2.404 373 1HG1 ILE 44 2HG1 ILE 44 -4.710 4.096 1.685 374 2HG1 ILE 44 1HG1 ILE 44 -3.157 4.924 1.664 375 1HG2 ILE 44 1HG2 ILE 44 -6.895 6.830 1.711 376 2HG2 ILE 44 2HG2 ILE 44 -6.357 6.450 3.347 377 3HG2 ILE 44 3HG2 ILE 44 -6.663 5.151 2.195 378 1HD1 ILE 44 1HD1 ILE 44 -4.921 4.609 4.081 379 2HD1 ILE 44 2HD1 ILE 44 -3.322 5.350 4.039 380 3HD1 ILE 44 3HD1 ILE 44 -3.505 3.627 3.709 381 H ASN 45 H ASN 45 -6.986 7.307 -0.657 382 HA ASN 45 HA ASN 45 -6.308 10.149 -0.709 383 1HB ASN 45 2HB ASN 45 -8.717 8.735 -1.873 384 2HB ASN 45 1HB ASN 45 -8.254 10.409 -2.156 385 1HD2 ASN 45 1HD2 ASN 45 -7.241 7.071 -2.606 386 2HD2 ASN 45 2HD2 ASN 45 -6.287 7.362 -4.025 387 H ALA 46 H ALA 46 -8.226 11.654 -0.242 388 HA ALA 46 HA ALA 46 -9.167 11.026 2.438 389 1HB ALA 46 1HB ALA 46 -8.109 13.266 1.539 390 2HB ALA 46 2HB ALA 46 -9.348 13.273 2.794 391 3HB ALA 46 3HB ALA 46 -9.785 13.614 1.118 392 H ASP 47 H ASP 47 -10.330 10.218 -0.425 393 HA ASP 47 HA ASP 47 -13.110 10.948 0.148 394 1HB ASP 47 2HB ASP 47 -13.180 9.732 -2.301 395 2HB ASP 47 1HB ASP 47 -13.050 11.470 -2.047 396 H GLY 48 H GLY 48 -10.900 8.340 0.184 397 1HA GLY 48 2HA GLY 48 -11.590 6.386 1.483 398 2HA GLY 48 1HA GLY 48 -13.140 6.477 0.658 399 H SER 49 H SER 49 -10.570 7.155 -1.431 400 HA SER 49 HA SER 49 -10.740 4.435 -2.534 401 1HB SER 49 2HB SER 49 -10.370 5.332 -4.679 402 2HB SER 49 1HB SER 49 -11.430 6.509 -3.911 403 HG SER 49 HG SER 49 -9.927 7.935 -4.150 404 H VAL 50 H VAL 50 -8.822 3.467 -3.413 405 HA VAL 50 HA VAL 50 -6.271 4.628 -2.637 406 HB VAL 50 HB VAL 50 -6.876 1.829 -1.714 407 1HG1 VAL 50 1HG1 VAL 50 -4.559 2.244 -1.857 408 2HG1 VAL 50 2HG1 VAL 50 -4.970 2.411 -0.151 409 3HG1 VAL 50 3HG1 VAL 50 -4.724 3.849 -1.144 410 1HG2 VAL 50 1HG2 VAL 50 -7.124 4.350 -0.074 411 2HG2 VAL 50 2HG2 VAL 50 -7.248 2.699 0.535 412 3HG2 VAL 50 3HG2 VAL 50 -8.460 3.318 -0.589 413 H TYR 51 H TYR 51 -4.582 3.957 -3.893 414 HA TYR 51 HA TYR 51 -5.102 1.786 -5.809 415 1HB TYR 51 2HB TYR 51 -4.114 3.065 -7.605 416 2HB TYR 51 1HB TYR 51 -5.423 4.001 -6.896 417 HD1 TYR 51 1HD TYR 51 -1.728 3.631 -6.929 418 HD2 TYR 51 2HD TYR 51 -5.034 6.166 -6.073 419 HE1 TYR 51 1HE TYR 51 -0.188 5.520 -6.606 420 HE2 TYR 51 2HE TYR 51 -3.505 8.063 -5.749 421 HH TYR 51 HH TYR 51 -0.747 8.405 -6.817 422 H ALA 52 H ALA 52 -3.297 0.602 -6.485 423 HA ALA 52 HA ALA 52 -1.024 0.783 -4.653 424 1HB ALA 52 1HB ALA 52 -0.551 -1.496 -5.969 425 2HB ALA 52 2HB ALA 52 -2.297 -1.391 -6.200 426 3HB ALA 52 3HB ALA 52 -1.622 -1.399 -4.570 427 H GLU 53 H GLU 53 0.972 1.333 -5.273 428 HA GLU 53 HA GLU 53 1.466 1.704 -8.156 429 1HB GLU 53 2HB GLU 53 2.966 3.550 -7.565 430 2HB GLU 53 1HB GLU 53 1.336 3.842 -6.974 431 1HG GLU 53 2HG GLU 53 1.974 3.832 -4.828 432 2HG GLU 53 1HG GLU 53 3.103 2.499 -5.063 433 H GLU 54 H GLU 54 4.048 1.988 -8.396 434 HA GLU 54 HA GLU 54 5.410 -0.069 -6.824 435 1HB GLU 54 2HB GLU 54 4.346 -0.759 -9.220 436 2HB GLU 54 1HB GLU 54 5.934 -0.200 -9.728 437 1HG GLU 54 2HG GLU 54 6.254 -1.875 -7.453 438 2HG GLU 54 1HG GLU 54 5.217 -2.695 -8.620 439 H VAL 55 H VAL 55 7.738 -0.029 -7.055 440 HA VAL 55 HA VAL 55 8.772 2.527 -8.089 441 HB VAL 55 HB VAL 55 9.763 1.200 -5.567 442 1HG1 VAL 55 1HG1 VAL 55 11.332 2.658 -6.860 443 2HG1 VAL 55 2HG1 VAL 55 11.005 3.208 -5.217 444 3HG1 VAL 55 3HG1 VAL 55 10.220 4.000 -6.583 445 1HG2 VAL 55 1HG2 VAL 55 8.546 2.805 -4.287 446 2HG2 VAL 55 2HG2 VAL 55 7.403 2.030 -5.383 447 3HG2 VAL 55 3HG2 VAL 55 8.011 3.647 -5.740 448 H LYS 56 H LYS 56 10.600 2.410 -9.274 449 HA LYS 56 HA LYS 56 11.721 -0.252 -9.725 450 1HB LYS 56 2HB LYS 56 11.856 2.319 -11.291 451 2HB LYS 56 1HB LYS 56 12.842 0.918 -11.688 452 1HG LYS 56 2HG LYS 56 11.163 -0.068 -12.751 453 2HG LYS 56 1HG LYS 56 10.066 0.187 -11.392 454 1HD LYS 56 2HD LYS 56 9.435 2.324 -12.175 455 2HD LYS 56 1HD LYS 56 10.774 2.382 -13.322 456 1HE LYS 56 2HE LYS 56 9.589 0.217 -14.267 457 2HE LYS 56 1HE LYS 56 8.179 0.938 -13.492 458 1HZ LYS 56 1HZ LYS 56 9.819 2.015 -15.697 459 2HZ LYS 56 2HZ LYS 56 8.858 3.036 -14.752 460 3HZ LYS 56 3HZ LYS 56 8.143 1.785 -15.638 461 HA PRO 57 HA PRO 57 15.319 0.966 -7.383 462 1HB PRO 57 2HB PRO 57 16.767 -1.270 -7.709 463 2HB PRO 57 1HB PRO 57 15.317 -1.245 -6.698 464 1HG PRO 57 2HG PRO 57 15.654 -2.228 -9.506 465 2HG PRO 57 1HG PRO 57 14.761 -2.965 -8.162 466 1HD PRO 57 2HD PRO 57 13.581 -1.497 -10.149 467 2HD PRO 57 1HD PRO 57 12.914 -1.659 -8.513 468 H ASP 58 H ASP 58 17.820 0.738 -7.776 469 HA ASP 58 HA ASP 58 18.362 2.100 -10.256 470 1HB ASP 58 2HB ASP 58 19.743 1.665 -7.697 471 2HB ASP 58 1HB ASP 58 20.813 1.698 -9.099 472 HA PRO 59 HA PRO 59 21.363 -1.894 -10.621 473 1HB PRO 59 2HB PRO 59 19.304 -3.641 -9.327 474 2HB PRO 59 1HB PRO 59 21.061 -3.828 -9.380 475 1HG PRO 59 2HG PRO 59 19.857 -2.894 -7.194 476 2HG PRO 59 1HG PRO 59 21.415 -2.240 -7.730 477 1HD PRO 59 2HD PRO 59 18.709 -1.030 -7.859 478 2HD PRO 59 1HD PRO 59 20.294 -0.244 -7.742 479 H SER 60 H SER 60 20.755 -1.421 -12.755 480 HA SER 60 HA SER 60 18.260 -2.487 -13.790 481 1HB SER 60 2HB SER 60 19.085 -0.274 -14.547 482 2HB SER 60 1HB SER 60 20.499 -1.061 -15.246 483 HG SER 60 HG SER 60 19.270 -1.939 -16.792 484 H ASN 61 H ASN 61 19.509 -4.601 -12.894 485 HA ASN 61 HA ASN 61 21.280 -5.788 -14.829 486 1HB ASN 61 2HB ASN 61 20.889 -6.203 -12.173 487 2HB ASN 61 1HB ASN 61 19.969 -7.543 -12.849 488 1HD2 ASN 61 1HD2 ASN 61 22.782 -6.913 -11.539 489 2HD2 ASN 61 2HD2 ASN 61 23.825 -7.979 -12.430 490 H LYS 62 H LYS 62 20.407 -8.405 -14.960 491 HA LYS 62 HA LYS 62 18.381 -8.185 -16.993 492 1HB LYS 62 2HB LYS 62 19.572 -10.737 -15.918 493 2HB LYS 62 1HB LYS 62 18.851 -10.463 -17.498 494 1HG LYS 62 2HG LYS 62 21.342 -9.048 -16.600 495 2HG LYS 62 1HG LYS 62 21.373 -10.618 -17.405 496 1HD LYS 62 2HD LYS 62 20.151 -9.636 -19.309 497 2HD LYS 62 1HD LYS 62 20.202 -8.065 -18.508 498 1HE LYS 62 2HE LYS 62 22.763 -9.519 -18.905 499 2HE LYS 62 1HE LYS 62 22.005 -8.778 -20.314 500 1HZ LYS 62 1HZ LYS 62 22.189 -7.112 -17.939 501 2HZ LYS 62 2HZ LYS 62 22.430 -6.712 -19.564 502 3HZ LYS 62 3HZ LYS 62 23.658 -7.482 -18.693 503 H LYS 63 H LYS 63 16.478 -9.591 -17.051 504 HA LYS 63 HA LYS 63 15.473 -10.617 -14.545 505 1HB LYS 63 2HB LYS 63 15.007 -8.015 -14.835 506 2HB LYS 63 1HB LYS 63 13.683 -8.608 -15.828 507 1HG LYS 63 2HG LYS 63 13.398 -10.156 -13.626 508 2HG LYS 63 1HG LYS 63 14.043 -8.675 -12.917 509 1HD LYS 63 2HD LYS 63 12.181 -7.690 -14.648 510 2HD LYS 63 1HD LYS 63 11.428 -9.204 -14.139 511 1HE LYS 63 2HE LYS 63 12.087 -8.407 -11.749 512 2HE LYS 63 1HE LYS 63 12.188 -6.818 -12.505 513 1HZ LYS 63 1HZ LYS 63 10.006 -7.154 -11.587 514 2HZ LYS 63 2HZ LYS 63 9.807 -8.592 -12.457 515 3HZ LYS 63 3HZ LYS 63 9.893 -7.114 -13.274 516 H THR 64 H THR 64 14.534 -12.474 -15.049 517 HA THR 64 HA THR 64 12.777 -12.619 -17.377 518 HB THR 64 HB THR 64 13.976 -15.019 -17.647 519 HG1 THR 64 1HG THR 64 16.187 -14.767 -17.391 520 1HG2 THR 64 1HG2 THR 64 15.541 -12.956 -18.994 521 2HG2 THR 64 2HG2 THR 64 13.796 -12.799 -19.201 522 3HG2 THR 64 3HG2 THR 64 14.607 -14.296 -19.658 523 H THR 65 H THR 65 11.308 -14.413 -17.323 524 HA THR 65 HA THR 65 11.162 -15.880 -14.794 525 HB THR 65 HB THR 65 8.728 -15.377 -14.625 526 HG1 THR 65 1HG THR 65 7.782 -14.040 -15.984 527 1HG2 THR 65 1HG2 THR 65 9.337 -12.685 -14.408 528 2HG2 THR 65 2HG2 THR 65 10.861 -13.514 -14.093 529 3HG2 THR 65 3HG2 THR 65 9.432 -13.902 -13.134 530 H ALA 66 H ALA 66 11.862 -16.633 -17.513 531 HA ALA 66 HA ALA 66 9.975 -18.830 -17.803 532 1HB ALA 66 1HB ALA 66 9.680 -18.480 -20.200 533 2HB ALA 66 2HB ALA 66 10.626 -16.994 -20.107 534 3HB ALA 66 3HB ALA 66 9.072 -17.104 -19.280 Start of MODEL 18 1 1H MET 1 1HT MET 1 1.895 15.291 5.028 2 2H MET 1 2HT MET 1 2.502 13.694 5.181 3 3H MET 1 3HT MET 1 1.345 14.061 3.969 4 HA MET 1 HA MET 1 3.028 15.696 3.113 5 1HB MET 1 2HB MET 1 5.329 15.216 3.700 6 2HB MET 1 1HB MET 1 4.420 15.561 5.164 7 1HG MET 1 2HG MET 1 5.196 13.678 6.016 8 2HG MET 1 1HG MET 1 4.237 12.800 4.828 9 1HE MET 1 1HE MET 1 6.411 11.190 5.838 10 2HE MET 1 2HE MET 1 7.450 10.737 4.487 11 3HE MET 1 3HE MET 1 5.696 10.688 4.306 12 H GLU 2 H GLU 2 2.661 12.283 3.725 13 HA GLU 2 HA GLU 2 2.595 11.671 0.951 14 1HB GLU 2 2HB GLU 2 5.072 11.887 1.376 15 2HB GLU 2 1HB GLU 2 4.939 10.510 2.460 16 1HG GLU 2 2HG GLU 2 3.846 9.370 0.371 17 2HG GLU 2 1HG GLU 2 4.728 10.621 -0.504 18 H GLN 3 H GLN 3 1.037 10.206 0.863 19 HA GLN 3 HA GLN 3 0.693 8.361 3.117 20 1HB GLN 3 2HB GLN 3 -1.131 9.920 1.675 21 2HB GLN 3 1HB GLN 3 -1.424 8.271 1.140 22 1HG GLN 3 2HG GLN 3 -2.761 8.167 2.921 23 2HG GLN 3 1HG GLN 3 -1.265 7.925 3.820 24 1HE2 GLN 3 1HE2 GLN 3 -2.836 10.757 2.369 25 2HE2 GLN 3 2HE2 GLN 3 -2.828 11.716 3.816 26 H ARG 4 H ARG 4 2.765 7.871 1.269 27 HA ARG 4 HA ARG 4 1.809 5.743 -0.476 28 1HB ARG 4 2HB ARG 4 4.550 6.946 -0.068 29 2HB ARG 4 1HB ARG 4 4.217 5.624 -1.177 30 1HG ARG 4 2HG ARG 4 2.533 7.160 -2.283 31 2HG ARG 4 1HG ARG 4 3.244 8.460 -1.324 32 1HD ARG 4 2HD ARG 4 5.035 8.594 -2.651 33 2HD ARG 4 1HD ARG 4 5.247 6.844 -2.680 34 HE ARG 4 HE ARG 4 3.140 7.214 -4.319 35 1HH1 ARG 4 1HH1 ARG 4 6.305 8.679 -4.175 36 2HH1 ARG 4 2HH1 ARG 4 6.386 8.969 -5.881 37 1HH2 ARG 4 1HH2 ARG 4 3.246 7.596 -6.563 38 2HH2 ARG 4 2HH2 ARG 4 4.650 8.355 -7.235 39 H ILE 5 H ILE 5 1.104 4.589 1.558 40 HA ILE 5 HA ILE 5 3.143 3.400 3.187 41 HB ILE 5 HB ILE 5 0.276 2.499 3.008 42 1HG1 ILE 5 2HG1 ILE 5 1.032 4.477 5.058 43 2HG1 ILE 5 1HG1 ILE 5 0.940 5.082 3.421 44 1HG2 ILE 5 1HG2 ILE 5 1.432 1.020 4.372 45 2HG2 ILE 5 2HG2 ILE 5 0.772 2.181 5.525 46 3HG2 ILE 5 3HG2 ILE 5 2.465 2.284 5.040 47 1HD1 ILE 5 1HD1 ILE 5 -1.152 5.314 4.766 48 2HD1 ILE 5 2HD1 ILE 5 -1.280 3.554 4.739 49 3HD1 ILE 5 3HD1 ILE 5 -1.343 4.467 3.232 50 H THR 6 H THR 6 3.231 1.052 3.487 51 HA THR 6 HA THR 6 3.542 -0.257 0.908 52 HB THR 6 HB THR 6 4.421 -2.120 2.605 53 HG1 THR 6 1HG THR 6 5.307 -1.132 4.432 54 1HG2 THR 6 1HG2 THR 6 5.948 -1.249 1.061 55 2HG2 THR 6 2HG2 THR 6 6.656 -0.934 2.645 56 3HG2 THR 6 3HG2 THR 6 5.859 0.367 1.760 57 H LEU 7 H LEU 7 2.862 -2.542 0.667 58 HA LEU 7 HA LEU 7 0.086 -2.807 1.174 59 1HB LEU 7 2HB LEU 7 1.200 -3.760 -0.799 60 2HB LEU 7 1HB LEU 7 2.075 -4.875 0.234 61 HG LEU 7 HG LEU 7 -0.275 -5.689 0.966 62 1HD1 LEU 7 1HD1 LEU 7 -1.844 -5.483 -1.070 63 2HD1 LEU 7 2HD1 LEU 7 -0.880 -4.059 -1.469 64 3HD1 LEU 7 3HD1 LEU 7 -1.746 -4.137 0.066 65 1HD2 LEU 7 1HD2 LEU 7 -0.306 -7.304 -0.830 66 2HD2 LEU 7 2HD2 LEU 7 1.362 -6.977 -0.361 67 3HD2 LEU 7 3HD2 LEU 7 0.703 -6.257 -1.829 68 H LYS 8 H LYS 8 2.958 -4.027 2.759 69 HA LYS 8 HA LYS 8 1.737 -6.027 4.321 70 1HB LYS 8 2HB LYS 8 4.223 -5.661 3.909 71 2HB LYS 8 1HB LYS 8 4.145 -4.415 5.147 72 1HG LYS 8 2HG LYS 8 3.033 -7.044 5.884 73 2HG LYS 8 1HG LYS 8 4.780 -6.970 5.646 74 1HD LYS 8 2HD LYS 8 5.035 -6.008 7.635 75 2HD LYS 8 1HD LYS 8 3.955 -4.695 7.165 76 1HE LYS 8 2HE LYS 8 2.648 -5.455 8.821 77 2HE LYS 8 1HE LYS 8 2.186 -6.702 7.665 78 1HZ LYS 8 1HZ LYS 8 4.223 -7.935 8.615 79 2HZ LYS 8 2HZ LYS 8 2.787 -7.915 9.509 80 3HZ LYS 8 3HZ LYS 8 4.058 -6.882 9.930 81 H ASP 9 H ASP 9 2.585 -2.659 5.112 82 HA ASP 9 HA ASP 9 1.586 -2.640 7.719 83 1HB ASP 9 2HB ASP 9 1.781 -0.378 5.722 84 2HB ASP 9 1HB ASP 9 1.467 -0.167 7.441 85 H TYR 10 H TYR 10 0.000 -1.494 4.737 86 HA TYR 10 HA TYR 10 -2.460 -0.847 5.877 87 1HB TYR 10 2HB TYR 10 -1.610 -0.319 3.529 88 2HB TYR 10 1HB TYR 10 -2.140 -1.938 3.083 89 HD1 TYR 10 1HD TYR 10 -4.637 -2.501 3.676 90 HD2 TYR 10 2HD TYR 10 -3.091 1.446 3.308 91 HE1 TYR 10 1HE TYR 10 -6.911 -1.653 3.287 92 HE2 TYR 10 2HE TYR 10 -5.363 2.305 2.920 93 HH TYR 10 HH TYR 10 -7.689 1.642 3.391 94 H ALA 11 H ALA 11 -1.225 -3.923 4.700 95 HA ALA 11 HA ALA 11 -3.703 -5.316 4.857 96 1HB ALA 11 1HB ALA 11 -2.087 -6.245 3.422 97 2HB ALA 11 2HB ALA 11 -2.190 -7.357 4.788 98 3HB ALA 11 3HB ALA 11 -0.845 -6.223 4.675 99 H MET 12 H MET 12 -1.131 -4.642 7.124 100 HA MET 12 HA MET 12 -2.201 -6.476 9.080 101 1HB MET 12 2HB MET 12 0.331 -5.220 8.610 102 2HB MET 12 1HB MET 12 -0.199 -4.861 10.247 103 1HG MET 12 2HG MET 12 -0.707 -7.581 9.891 104 2HG MET 12 1HG MET 12 0.870 -7.297 9.154 105 1HE MET 12 1HE MET 12 -1.137 -5.725 11.788 106 2HE MET 12 2HE MET 12 0.107 -5.158 12.903 107 3HE MET 12 3HE MET 12 -0.729 -6.680 13.214 108 H ARG 13 H ARG 13 -2.336 -3.130 8.294 109 HA ARG 13 HA ARG 13 -3.351 -2.367 10.910 110 1HB ARG 13 2HB ARG 13 -1.812 -0.978 9.287 111 2HB ARG 13 1HB ARG 13 -3.352 -0.517 8.562 112 1HG ARG 13 2HG ARG 13 -3.327 1.132 10.068 113 2HG ARG 13 1HG ARG 13 -3.857 -0.116 11.206 114 1HD ARG 13 2HD ARG 13 -1.073 -0.353 11.075 115 2HD ARG 13 1HD ARG 13 -1.393 1.380 11.132 116 HE ARG 13 HE ARG 13 -1.694 -0.481 13.261 117 1HH1 ARG 13 1HH1 ARG 13 -3.061 2.432 11.907 118 2HH1 ARG 13 2HH1 ARG 13 -3.694 2.986 13.420 119 1HH2 ARG 13 1HH2 ARG 13 -2.528 0.245 15.250 120 2HH2 ARG 13 2HH2 ARG 13 -3.392 1.746 15.318 121 H PHE 14 H PHE 14 -4.555 -1.689 7.622 122 HA PHE 14 HA PHE 14 -7.250 -1.528 8.565 123 1HB PHE 14 2HB PHE 14 -6.156 -1.464 5.751 124 2HB PHE 14 1HB PHE 14 -7.748 -0.942 6.267 125 HD1 PHE 14 1HD PHE 14 -8.001 1.084 7.659 126 HD2 PHE 14 2HD PHE 14 -4.256 -0.052 6.028 127 HE1 PHE 14 1HE PHE 14 -7.141 3.330 8.083 128 HE2 PHE 14 2HE PHE 14 -3.386 2.188 6.449 129 HZ PHE 14 HZ PHE 14 -4.838 3.862 7.472 130 H GLY 15 H GLY 15 -5.299 -3.836 6.754 131 1HA GLY 15 2HA GLY 15 -5.859 -6.196 6.985 132 2HA GLY 15 1HA GLY 15 -7.552 -5.734 6.925 133 H GLN 16 H GLN 16 -5.997 -7.629 5.269 134 HA GLN 16 HA GLN 16 -5.486 -6.617 2.716 135 1HB GLN 16 2HB GLN 16 -5.841 -8.978 1.953 136 2HB GLN 16 1HB GLN 16 -4.709 -8.806 3.288 137 1HG GLN 16 2HG GLN 16 -7.509 -9.289 4.050 138 2HG GLN 16 1HG GLN 16 -6.699 -10.613 3.214 139 1HE2 GLN 16 1HE2 GLN 16 -4.662 -11.359 4.109 140 2HE2 GLN 16 2HE2 GLN 16 -4.416 -11.280 5.826 141 H THR 17 H THR 17 -8.479 -7.497 4.274 142 HA THR 17 HA THR 17 -10.090 -7.682 1.957 143 HB THR 17 HB THR 17 -10.880 -6.934 4.776 144 HG1 THR 17 1HG THR 17 -9.948 -8.937 4.801 145 1HG2 THR 17 1HG2 THR 17 -13.040 -8.113 4.029 146 2HG2 THR 17 2HG2 THR 17 -12.480 -7.759 2.391 147 3HG2 THR 17 3HG2 THR 17 -12.770 -6.443 3.530 148 H LYS 18 H LYS 18 -9.536 -5.014 4.245 149 HA LYS 18 HA LYS 18 -11.180 -3.141 2.951 150 1HB LYS 18 2HB LYS 18 -10.130 -3.047 5.301 151 2HB LYS 18 1HB LYS 18 -8.712 -2.395 4.492 152 1HG LYS 18 2HG LYS 18 -9.728 -0.413 4.000 153 2HG LYS 18 1HG LYS 18 -11.340 -1.129 3.943 154 1HD LYS 18 2HD LYS 18 -11.570 -1.093 6.256 155 2HD LYS 18 1HD LYS 18 -9.834 -0.984 6.527 156 1HE LYS 18 2HE LYS 18 -9.789 1.290 5.815 157 2HE LYS 18 1HE LYS 18 -11.450 1.203 5.238 158 1HZ LYS 18 1HZ LYS 18 -10.770 2.188 7.607 159 2HZ LYS 18 2HZ LYS 18 -11.040 0.576 8.045 160 3HZ LYS 18 3HZ LYS 18 -12.270 1.463 7.301 161 H THR 19 H THR 19 -7.855 -4.094 2.436 162 HA THR 19 HA THR 19 -7.142 -1.923 0.749 163 HB THR 19 HB THR 19 -5.798 -4.531 0.345 164 HG1 THR 19 1HG THR 19 -4.940 -4.603 2.357 165 1HG2 THR 19 1HG2 THR 19 -4.773 -2.561 -0.564 166 2HG2 THR 19 2HG2 THR 19 -3.780 -3.184 0.754 167 3HG2 THR 19 3HG2 THR 19 -4.806 -1.773 1.012 168 H ALA 20 H ALA 20 -8.006 -5.304 0.020 169 HA ALA 20 HA ALA 20 -7.991 -5.044 -2.770 170 1HB ALA 20 1HB ALA 20 -9.868 -6.939 -1.437 171 2HB ALA 20 2HB ALA 20 -8.129 -7.152 -1.231 172 3HB ALA 20 3HB ALA 20 -8.837 -7.180 -2.847 173 H LYS 21 H LYS 21 -10.390 -4.201 -0.393 174 HA LYS 21 HA LYS 21 -12.580 -3.997 -2.213 175 1HB LYS 21 2HB LYS 21 -12.610 -4.249 0.372 176 2HB LYS 21 1HB LYS 21 -12.420 -2.501 0.385 177 1HG LYS 21 2HG LYS 21 -14.480 -2.201 -0.787 178 2HG LYS 21 1HG LYS 21 -14.640 -3.940 -1.048 179 1HD LYS 21 2HD LYS 21 -14.460 -3.956 1.606 180 2HD LYS 21 1HD LYS 21 -15.110 -2.328 1.401 181 1HE LYS 21 2HE LYS 21 -17.100 -3.362 1.402 182 2HE LYS 21 1HE LYS 21 -16.710 -3.747 -0.273 183 1HZ LYS 21 1HZ LYS 21 -16.190 -5.493 2.074 184 2HZ LYS 21 2HZ LYS 21 -15.800 -5.864 0.472 185 3HZ LYS 21 3HZ LYS 21 -17.420 -5.710 0.931 186 H ASP 22 H ASP 22 -10.420 -1.614 -0.684 187 HA ASP 22 HA ASP 22 -11.570 0.620 -2.011 188 1HB ASP 22 2HB ASP 22 -9.311 0.113 -0.209 189 2HB ASP 22 1HB ASP 22 -9.046 1.438 -1.346 190 H LEU 23 H LEU 23 -8.904 -1.546 -2.731 191 HA LEU 23 HA LEU 23 -7.997 0.004 -4.982 192 1HB LEU 23 2HB LEU 23 -7.195 -2.497 -3.629 193 2HB LEU 23 1HB LEU 23 -6.835 -2.411 -5.344 194 HG LEU 23 HG LEU 23 -5.907 0.009 -4.467 195 1HD1 LEU 23 1HD1 LEU 23 -4.814 -1.825 -2.412 196 2HD1 LEU 23 2HD1 LEU 23 -6.397 -1.107 -2.113 197 3HD1 LEU 23 3HD1 LEU 23 -4.995 -0.072 -2.387 198 1HD2 LEU 23 1HD2 LEU 23 -4.741 -1.467 -5.979 199 2HD2 LEU 23 2HD2 LEU 23 -4.434 -2.612 -4.673 200 3HD2 LEU 23 3HD2 LEU 23 -3.673 -1.022 -4.648 201 H GLY 24 H GLY 24 -9.894 -2.939 -4.481 202 1HA GLY 24 2HA GLY 24 -11.680 -3.565 -5.906 203 2HA GLY 24 1HA GLY 24 -10.940 -2.631 -7.200 204 H VAL 25 H VAL 25 -9.996 -5.353 -5.097 205 HA VAL 25 HA VAL 25 -9.551 -7.011 -7.440 206 HB VAL 25 HB VAL 25 -7.247 -7.641 -6.638 207 1HG1 VAL 25 1HG1 VAL 25 -7.500 -6.287 -8.605 208 2HG1 VAL 25 2HG1 VAL 25 -6.160 -5.649 -7.651 209 3HG1 VAL 25 3HG1 VAL 25 -7.724 -4.835 -7.629 210 1HG2 VAL 25 1HG2 VAL 25 -6.082 -6.357 -5.090 211 2HG2 VAL 25 2HG2 VAL 25 -7.686 -6.489 -4.371 212 3HG2 VAL 25 3HG2 VAL 25 -7.214 -5.011 -5.207 213 H GLN 26 H GLN 26 -8.465 -9.193 -6.534 214 HA GLN 26 HA GLN 26 -10.310 -10.109 -4.483 215 1HB GLN 26 2HB GLN 26 -9.341 -12.380 -5.118 216 2HB GLN 26 1HB GLN 26 -10.270 -11.543 -6.351 217 1HG GLN 26 2HG GLN 26 -7.383 -11.017 -6.376 218 2HG GLN 26 1HG GLN 26 -7.867 -12.665 -6.774 219 1HE2 GLN 26 1HE2 GLN 26 -6.654 -11.396 -8.716 220 2HE2 GLN 26 2HE2 GLN 26 -7.753 -10.859 -9.936 221 H GLN 27 H GLN 27 -9.740 -10.840 -2.509 222 HA GLN 27 HA GLN 27 -7.462 -9.904 -1.250 223 1HB GLN 27 2HB GLN 27 -9.105 -12.305 -0.440 224 2HB GLN 27 1HB GLN 27 -8.046 -11.376 0.609 225 1HG GLN 27 2HG GLN 27 -9.512 -9.657 0.810 226 2HG GLN 27 1HG GLN 27 -10.190 -9.905 -0.798 227 1HE2 GLN 27 1HE2 GLN 27 -11.770 -11.507 -1.088 228 2HE2 GLN 27 2HE2 GLN 27 -12.690 -12.122 0.242 229 H SER 28 H SER 28 -7.885 -12.748 -3.148 230 HA SER 28 HA SER 28 -5.764 -14.306 -2.163 231 1HB SER 28 2HB SER 28 -5.874 -15.468 -4.352 232 2HB SER 28 1HB SER 28 -7.467 -15.256 -3.626 233 HG SER 28 HG SER 28 -6.399 -13.438 -5.512 234 H ALA 29 H ALA 29 -5.881 -11.640 -4.426 235 HA ALA 29 HA ALA 29 -3.221 -11.983 -5.421 236 1HB ALA 29 1HB ALA 29 -5.283 -10.664 -6.402 237 2HB ALA 29 2HB ALA 29 -3.626 -10.160 -6.741 238 3HB ALA 29 3HB ALA 29 -4.565 -9.331 -5.500 239 H ILE 30 H ILE 30 -4.714 -9.991 -2.907 240 HA ILE 30 HA ILE 30 -2.472 -8.430 -2.268 241 HB ILE 30 HB ILE 30 -4.588 -9.342 -0.318 242 1HG1 ILE 30 2HG1 ILE 30 -5.709 -8.439 -2.266 243 2HG1 ILE 30 1HG1 ILE 30 -5.790 -7.257 -0.963 244 1HG2 ILE 30 1HG2 ILE 30 -3.998 -6.805 0.356 245 2HG2 ILE 30 2HG2 ILE 30 -2.441 -7.325 -0.287 246 3HG2 ILE 30 3HG2 ILE 30 -3.187 -8.214 1.040 247 1HD1 ILE 30 1HD1 ILE 30 -4.124 -7.194 -3.447 248 2HD1 ILE 30 2HD1 ILE 30 -3.743 -6.189 -2.048 249 3HD1 ILE 30 3HD1 ILE 30 -5.295 -6.012 -2.866 250 H ASN 31 H ASN 31 -3.612 -11.508 -0.908 251 HA ASN 31 HA ASN 31 -1.563 -11.792 0.999 252 1HB ASN 31 2HB ASN 31 -3.840 -13.131 0.533 253 2HB ASN 31 1HB ASN 31 -2.708 -14.240 -0.237 254 1HD2 ASN 31 1HD2 ASN 31 -4.360 -14.434 2.226 255 2HD2 ASN 31 2HD2 ASN 31 -3.239 -14.861 3.482 256 H LYS 32 H LYS 32 -1.762 -12.598 -2.401 257 HA LYS 32 HA LYS 32 0.580 -14.200 -2.470 258 1HB LYS 32 2HB LYS 32 -0.974 -12.793 -4.634 259 2HB LYS 32 1HB LYS 32 0.424 -13.806 -4.961 260 1HG LYS 32 2HG LYS 32 -1.770 -14.968 -3.339 261 2HG LYS 32 1HG LYS 32 -2.044 -14.740 -5.067 262 1HD LYS 32 2HD LYS 32 0.373 -16.150 -3.954 263 2HD LYS 32 1HD LYS 32 -1.118 -16.988 -4.388 264 1HE LYS 32 2HE LYS 32 0.125 -15.171 -6.390 265 2HE LYS 32 1HE LYS 32 0.878 -16.738 -6.100 266 1HZ LYS 32 1HZ LYS 32 -2.001 -16.760 -6.486 267 2HZ LYS 32 2HZ LYS 32 -0.823 -17.833 -7.056 268 3HZ LYS 32 3HZ LYS 32 -1.080 -16.360 -7.848 269 H TRP 33 H TRP 33 -0.051 -10.801 -2.657 270 HA TRP 33 HA TRP 33 2.376 -10.010 -3.865 271 1HB TRP 33 2HB TRP 33 0.299 -8.633 -2.208 272 2HB TRP 33 1HB TRP 33 1.697 -7.775 -2.834 273 HD1 TRP 33 HD TRP 33 1.198 -9.918 -5.487 274 HE1 TRP 33 1HE TRP 33 -0.403 -9.013 -7.298 275 HE3 TRP 33 3HE TRP 33 -1.073 -6.320 -2.747 276 HZ2 TRP 33 2HZ TRP 33 -2.388 -7.012 -7.505 277 HZ3 TRP 33 3HZ TRP 33 -2.825 -4.935 -3.798 278 HH2 TRP 33 HH TRP 33 -3.469 -5.280 -6.131 279 H ILE 34 H ILE 34 1.292 -10.188 -0.483 280 HA ILE 34 HA ILE 34 3.850 -9.343 0.539 281 HB ILE 34 HB ILE 34 1.609 -10.620 2.104 282 1HG1 ILE 34 2HG1 ILE 34 2.021 -7.668 1.595 283 2HG1 ILE 34 1HG1 ILE 34 0.847 -8.655 0.731 284 1HG2 ILE 34 1HG2 ILE 34 3.253 -10.498 3.644 285 2HG2 ILE 34 2HG2 ILE 34 2.740 -8.813 3.744 286 3HG2 ILE 34 3HG2 ILE 34 4.137 -9.252 2.761 287 1HD1 ILE 34 1HD1 ILE 34 -0.428 -9.012 2.679 288 2HD1 ILE 34 2HD1 ILE 34 -0.033 -7.293 2.653 289 3HD1 ILE 34 3HD1 ILE 34 0.852 -8.385 3.719 290 H HIS 35 H HIS 35 2.246 -12.350 -0.152 291 HA HIS 35 HA HIS 35 3.683 -14.114 1.446 292 1HB HIS 35 2HB HIS 35 2.024 -14.275 -0.956 293 2HB HIS 35 1HB HIS 35 3.255 -15.528 -0.881 294 HD1 HIS 35 1HD HIS 35 2.226 -14.696 2.482 295 HD2 HIS 35 2HD HIS 35 0.773 -17.102 -0.576 296 HE1 HIS 35 1HE HIS 35 0.635 -16.299 3.587 297 HE2 HIS 35 2HE HIS 35 -0.160 -17.806 1.732 298 H ALA 36 H ALA 36 4.540 -12.529 -1.513 299 HA ALA 36 HA ALA 36 7.061 -14.025 -1.636 300 1HB ALA 36 1HB ALA 36 6.191 -12.141 -3.778 301 2HB ALA 36 2HB ALA 36 5.417 -13.720 -3.638 302 3HB ALA 36 3HB ALA 36 7.160 -13.611 -3.896 303 H GLY 37 H GLY 37 5.759 -10.992 -0.763 304 1HA GLY 37 2HA GLY 37 6.875 -9.250 0.300 305 2HA GLY 37 1HA GLY 37 8.402 -10.010 -0.118 306 H ARG 38 H ARG 38 5.816 -9.169 -2.363 307 HA ARG 38 HA ARG 38 7.606 -7.867 -4.133 308 1HB ARG 38 2HB ARG 38 5.367 -9.013 -4.667 309 2HB ARG 38 1HB ARG 38 4.617 -7.506 -4.157 310 1HG ARG 38 2HG ARG 38 5.557 -6.303 -5.927 311 2HG ARG 38 1HG ARG 38 6.749 -7.561 -6.264 312 1HD ARG 38 2HD ARG 38 4.571 -9.004 -6.675 313 2HD ARG 38 1HD ARG 38 3.870 -7.419 -6.995 314 HE ARG 38 HE ARG 38 5.067 -7.314 -8.947 315 1HH1 ARG 38 1HH1 ARG 38 6.328 -9.902 -6.976 316 2HH1 ARG 38 2HH1 ARG 38 7.352 -10.524 -8.226 317 1HH2 ARG 38 1HH2 ARG 38 6.413 -8.130 -10.592 318 2HH2 ARG 38 2HH2 ARG 38 7.401 -9.517 -10.280 319 H LYS 39 H LYS 39 8.457 -5.914 -3.912 320 HA LYS 39 HA LYS 39 7.649 -4.067 -1.941 321 1HB LYS 39 2HB LYS 39 9.619 -4.118 -4.150 322 2HB LYS 39 1HB LYS 39 9.111 -2.523 -3.610 323 1HG LYS 39 2HG LYS 39 9.642 -3.414 -1.244 324 2HG LYS 39 1HG LYS 39 10.559 -4.656 -2.098 325 1HD LYS 39 2HD LYS 39 12.008 -2.801 -1.485 326 2HD LYS 39 1HD LYS 39 11.848 -2.903 -3.239 327 1HE LYS 39 2HE LYS 39 9.850 -1.194 -1.956 328 2HE LYS 39 1HE LYS 39 11.508 -0.638 -1.745 329 1HZ LYS 39 1HZ LYS 39 11.490 -1.238 -4.344 330 2HZ LYS 39 2HZ LYS 39 11.149 0.303 -3.735 331 3HZ LYS 39 3HZ LYS 39 9.885 -0.745 -4.141 332 H ILE 40 H ILE 40 5.731 -3.087 -1.989 333 HA ILE 40 HA ILE 40 5.004 -1.595 -4.408 334 HB ILE 40 HB ILE 40 2.996 -3.207 -2.833 335 1HG1 ILE 40 2HG1 ILE 40 4.276 -3.775 -5.516 336 2HG1 ILE 40 1HG1 ILE 40 4.455 -4.728 -4.046 337 1HG2 ILE 40 1HG2 ILE 40 1.951 -1.311 -3.799 338 2HG2 ILE 40 2HG2 ILE 40 1.562 -2.682 -4.839 339 3HG2 ILE 40 3HG2 ILE 40 2.807 -1.531 -5.325 340 1HD1 ILE 40 1HD1 ILE 40 2.925 -5.784 -5.605 341 2HD1 ILE 40 2HD1 ILE 40 1.907 -4.344 -5.598 342 3HD1 ILE 40 3HD1 ILE 40 2.088 -5.303 -4.130 343 H PHE 41 H PHE 41 3.437 0.121 -4.007 344 HA PHE 41 HA PHE 41 3.164 0.934 -1.209 345 1HB PHE 41 2HB PHE 41 4.410 2.622 -3.384 346 2HB PHE 41 1HB PHE 41 3.838 3.277 -1.852 347 HD1 PHE 41 1HD PHE 41 4.979 2.723 0.239 348 HD2 PHE 41 2HD PHE 41 6.437 1.363 -3.521 349 HE1 PHE 41 1HE PHE 41 7.148 2.199 1.274 350 HE2 PHE 41 2HE PHE 41 8.609 0.834 -2.492 351 HZ PHE 41 HZ PHE 41 8.967 1.253 -0.092 352 H LEU 42 H LEU 42 1.100 1.361 -0.856 353 HA LEU 42 HA LEU 42 -0.584 2.189 -3.108 354 1HB LEU 42 2HB LEU 42 -2.459 1.390 -1.886 355 2HB LEU 42 1HB LEU 42 -1.212 0.164 -1.785 356 HG LEU 42 HG LEU 42 -1.557 2.161 0.428 357 1HD1 LEU 42 1HD1 LEU 42 -3.571 1.373 0.914 358 2HD1 LEU 42 2HD1 LEU 42 -2.835 -0.203 1.198 359 3HD1 LEU 42 3HD1 LEU 42 -3.485 0.193 -0.392 360 1HD2 LEU 42 1HD2 LEU 42 0.034 -0.204 -0.079 361 2HD2 LEU 42 2HD2 LEU 42 -0.902 -0.354 1.408 362 3HD2 LEU 42 3HD2 LEU 42 0.191 1.012 1.189 363 H THR 43 H THR 43 -1.600 4.113 -3.168 364 HA THR 43 HA THR 43 -0.977 5.998 -1.016 365 HB THR 43 HB THR 43 -2.052 6.608 -3.771 366 HG1 THR 43 1HG THR 43 0.050 5.583 -3.756 367 1HG2 THR 43 1HG2 THR 43 -0.511 8.720 -2.931 368 2HG2 THR 43 2HG2 THR 43 -1.393 8.253 -1.478 369 3HG2 THR 43 3HG2 THR 43 -2.273 8.658 -2.953 370 H ILE 44 H ILE 44 -2.488 6.331 0.459 371 HA ILE 44 HA ILE 44 -5.269 5.721 -0.110 372 HB ILE 44 HB ILE 44 -4.111 6.775 2.467 373 1HG1 ILE 44 2HG1 ILE 44 -4.578 3.891 1.686 374 2HG1 ILE 44 1HG1 ILE 44 -2.998 4.670 1.713 375 1HG2 ILE 44 1HG2 ILE 44 -6.637 6.806 1.952 376 2HG2 ILE 44 2HG2 ILE 44 -6.097 6.135 3.489 377 3HG2 ILE 44 3HG2 ILE 44 -6.545 5.059 2.165 378 1HD1 ILE 44 1HD1 ILE 44 -4.815 4.163 4.054 379 2HD1 ILE 44 2HD1 ILE 44 -3.327 5.108 4.132 380 3HD1 ILE 44 3HD1 ILE 44 -3.264 3.396 3.713 381 H ASN 45 H ASN 45 -6.823 7.168 -0.513 382 HA ASN 45 HA ASN 45 -6.083 9.984 -0.627 383 1HB ASN 45 2HB ASN 45 -8.419 8.417 -1.714 384 2HB ASN 45 1HB ASN 45 -8.357 10.176 -1.769 385 1HD2 ASN 45 1HD2 ASN 45 -8.601 8.979 -4.098 386 2HD2 ASN 45 2HD2 ASN 45 -7.114 8.995 -4.992 387 H ALA 46 H ALA 46 -7.812 11.587 0.013 388 HA ALA 46 HA ALA 46 -8.518 11.099 2.762 389 1HB ALA 46 1HB ALA 46 -7.632 13.270 1.990 390 2HB ALA 46 2HB ALA 46 -9.183 13.418 2.817 391 3HB ALA 46 3HB ALA 46 -9.107 13.515 1.058 392 H ASP 47 H ASP 47 -10.010 10.295 -0.071 393 HA ASP 47 HA ASP 47 -12.710 10.703 1.002 394 1HB ASP 47 2HB ASP 47 -13.090 9.739 -1.529 395 2HB ASP 47 1HB ASP 47 -13.050 11.448 -1.099 396 H GLY 48 H GLY 48 -10.330 8.321 0.345 397 1HA GLY 48 2HA GLY 48 -10.690 6.198 1.560 398 2HA GLY 48 1HA GLY 48 -12.330 6.209 0.903 399 H SER 49 H SER 49 -10.170 7.355 -1.397 400 HA SER 49 HA SER 49 -10.290 4.817 -2.824 401 1HB SER 49 2HB SER 49 -10.460 7.546 -3.591 402 2HB SER 49 1HB SER 49 -9.056 6.843 -4.386 403 HG SER 49 HG SER 49 -10.840 6.486 -5.670 404 H VAL 50 H VAL 50 -8.615 3.490 -2.943 405 HA VAL 50 HA VAL 50 -5.920 4.606 -2.527 406 HB VAL 50 HB VAL 50 -6.582 1.821 -1.643 407 1HG1 VAL 50 1HG1 VAL 50 -4.766 2.727 0.084 408 2HG1 VAL 50 2HG1 VAL 50 -4.400 3.786 -1.276 409 3HG1 VAL 50 3HG1 VAL 50 -4.331 2.035 -1.478 410 1HG2 VAL 50 1HG2 VAL 50 -6.612 3.289 0.684 411 2HG2 VAL 50 2HG2 VAL 50 -8.023 2.608 -0.124 412 3HG2 VAL 50 3HG2 VAL 50 -7.560 4.283 -0.424 413 H TYR 51 H TYR 51 -4.344 3.923 -3.883 414 HA TYR 51 HA TYR 51 -4.955 1.712 -5.718 415 1HB TYR 51 2HB TYR 51 -3.962 3.020 -7.583 416 2HB TYR 51 1HB TYR 51 -5.445 3.734 -6.956 417 HD1 TYR 51 1HD TYR 51 -5.284 5.735 -5.440 418 HD2 TYR 51 2HD TYR 51 -1.928 4.222 -7.572 419 HE1 TYR 51 1HE TYR 51 -4.118 7.874 -5.109 420 HE2 TYR 51 2HE TYR 51 -0.752 6.356 -7.244 421 HH TYR 51 HH TYR 51 -1.436 8.519 -5.054 422 H ALA 52 H ALA 52 -3.304 0.343 -6.077 423 HA ALA 52 HA ALA 52 -0.895 0.684 -4.536 424 1HB ALA 52 1HB ALA 52 -1.692 -1.509 -4.522 425 2HB ALA 52 2HB ALA 52 -0.329 -1.566 -5.637 426 3HB ALA 52 3HB ALA 52 -1.977 -1.518 -6.263 427 H GLU 53 H GLU 53 0.911 1.607 -5.222 428 HA GLU 53 HA GLU 53 1.371 1.813 -8.126 429 1HB GLU 53 2HB GLU 53 1.753 3.743 -5.896 430 2HB GLU 53 1HB GLU 53 2.940 3.768 -7.194 431 1HG GLU 53 2HG GLU 53 0.717 3.784 -8.666 432 2HG GLU 53 1HG GLU 53 0.090 4.547 -7.207 433 H GLU 54 H GLU 54 3.745 2.077 -8.680 434 HA GLU 54 HA GLU 54 5.375 0.315 -6.969 435 1HB GLU 54 2HB GLU 54 4.490 -0.450 -9.366 436 2HB GLU 54 1HB GLU 54 5.910 0.443 -9.894 437 1HG GLU 54 2HG GLU 54 6.532 -1.310 -7.687 438 2HG GLU 54 1HG GLU 54 5.807 -2.192 -9.032 439 H VAL 55 H VAL 55 7.718 0.614 -7.195 440 HA VAL 55 HA VAL 55 8.530 3.252 -8.174 441 HB VAL 55 HB VAL 55 9.285 2.283 -5.416 442 1HG1 VAL 55 1HG1 VAL 55 9.728 4.938 -5.428 443 2HG1 VAL 55 2HG1 VAL 55 10.048 4.563 -7.122 444 3HG1 VAL 55 3HG1 VAL 55 10.952 3.740 -5.850 445 1HG2 VAL 55 1HG2 VAL 55 7.741 3.849 -4.491 446 2HG2 VAL 55 2HG2 VAL 55 6.855 2.848 -5.640 447 3HG2 VAL 55 3HG2 VAL 55 7.339 4.482 -6.087 448 H LYS 56 H LYS 56 9.737 2.306 -9.800 449 HA LYS 56 HA LYS 56 11.795 0.371 -9.058 450 1HB LYS 56 2HB LYS 56 10.184 0.480 -11.233 451 2HB LYS 56 1HB LYS 56 11.608 1.302 -11.857 452 1HG LYS 56 2HG LYS 56 12.133 -1.204 -10.412 453 2HG LYS 56 1HG LYS 56 11.240 -1.366 -11.927 454 1HD LYS 56 2HD LYS 56 13.113 0.245 -12.827 455 2HD LYS 56 1HD LYS 56 14.016 -0.387 -11.449 456 1HE LYS 56 2HE LYS 56 14.598 -2.041 -12.843 457 2HE LYS 56 1HE LYS 56 12.981 -2.668 -12.523 458 1HZ LYS 56 1HZ LYS 56 12.249 -2.072 -14.558 459 2HZ LYS 56 2HZ LYS 56 13.887 -2.210 -14.961 460 3HZ LYS 56 3HZ LYS 56 13.219 -0.687 -14.647 461 HA PRO 57 HA PRO 57 14.848 3.607 -8.923 462 1HB PRO 57 2HB PRO 57 17.062 2.074 -8.796 463 2HB PRO 57 1HB PRO 57 15.952 2.241 -7.432 464 1HG PRO 57 2HG PRO 57 16.168 0.029 -9.437 465 2HG PRO 57 1HG PRO 57 15.950 -0.072 -7.680 466 1HD PRO 57 2HD PRO 57 13.901 -0.344 -9.452 467 2HD PRO 57 1HD PRO 57 13.687 0.305 -7.815 468 H ASP 58 H ASP 58 16.120 4.710 -10.349 469 HA ASP 58 HA ASP 58 16.821 3.371 -12.874 470 1HB ASP 58 2HB ASP 58 14.783 5.097 -12.793 471 2HB ASP 58 1HB ASP 58 16.101 6.262 -12.949 472 HA PRO 59 HA PRO 59 20.507 5.492 -10.957 473 1HB PRO 59 2HB PRO 59 22.207 3.398 -11.239 474 2HB PRO 59 1HB PRO 59 21.150 3.590 -9.835 475 1HG PRO 59 2HG PRO 59 20.780 1.881 -12.265 476 2HG PRO 59 1HG PRO 59 20.485 1.483 -10.563 477 1HD PRO 59 2HD PRO 59 18.494 2.170 -12.267 478 2HD PRO 59 1HD PRO 59 18.446 2.558 -10.535 479 H SER 60 H SER 60 19.820 6.387 -13.291 480 HA SER 60 HA SER 60 22.205 6.041 -14.944 481 1HB SER 60 2HB SER 60 19.413 5.425 -15.760 482 2HB SER 60 1HB SER 60 20.416 6.281 -16.931 483 HG SER 60 HG SER 60 21.603 4.549 -17.194 484 H ASN 61 H ASN 61 19.097 7.793 -14.859 485 HA ASN 61 HA ASN 61 20.540 10.241 -15.601 486 1HB ASN 61 2HB ASN 61 17.697 9.340 -15.918 487 2HB ASN 61 1HB ASN 61 18.068 11.062 -15.901 488 1HD2 ASN 61 1HD2 ASN 61 19.741 11.786 -17.435 489 2HD2 ASN 61 2HD2 ASN 61 19.803 11.022 -18.993 490 H LYS 62 H LYS 62 19.487 12.289 -14.635 491 HA LYS 62 HA LYS 62 18.595 11.887 -11.884 492 1HB LYS 62 2HB LYS 62 20.273 13.715 -11.194 493 2HB LYS 62 1HB LYS 62 20.877 12.081 -11.421 494 1HG LYS 62 2HG LYS 62 21.270 13.057 -13.892 495 2HG LYS 62 1HG LYS 62 21.430 14.538 -12.947 496 1HD LYS 62 2HD LYS 62 23.543 13.917 -12.578 497 2HD LYS 62 1HD LYS 62 22.886 12.681 -11.504 498 1HE LYS 62 2HE LYS 62 23.144 11.006 -13.053 499 2HE LYS 62 1HE LYS 62 23.032 12.109 -14.424 500 1HZ LYS 62 1HZ LYS 62 25.241 11.799 -14.492 501 2HZ LYS 62 2HZ LYS 62 25.348 11.310 -12.877 502 3HZ LYS 62 3HZ LYS 62 25.280 12.956 -13.259 503 H LYS 63 H LYS 63 19.618 14.485 -14.118 504 HA LYS 63 HA LYS 63 16.987 15.635 -14.106 505 1HB LYS 63 2HB LYS 63 17.830 17.868 -13.246 506 2HB LYS 63 1HB LYS 63 17.632 16.603 -12.043 507 1HG LYS 63 2HG LYS 63 20.216 16.226 -12.730 508 2HG LYS 63 1HG LYS 63 20.060 17.967 -12.973 509 1HD LYS 63 2HD LYS 63 18.973 17.999 -10.651 510 2HD LYS 63 1HD LYS 63 19.634 16.373 -10.462 511 1HE LYS 63 2HE LYS 63 21.439 17.450 -9.665 512 2HE LYS 63 1HE LYS 63 21.809 17.714 -11.368 513 1HZ LYS 63 1HZ LYS 63 20.891 19.599 -9.357 514 2HZ LYS 63 2HZ LYS 63 20.214 19.782 -10.895 515 3HZ LYS 63 3HZ LYS 63 21.893 19.848 -10.698 516 H THR 64 H THR 64 16.996 15.598 -16.310 517 HA THR 64 HA THR 64 19.221 16.742 -17.782 518 HB THR 64 HB THR 64 18.281 14.769 -18.739 519 HG1 THR 64 1HG THR 64 18.732 16.612 -20.170 520 1HG2 THR 64 1HG2 THR 64 15.652 16.124 -18.360 521 2HG2 THR 64 2HG2 THR 64 16.141 14.482 -17.940 522 3HG2 THR 64 3HG2 THR 64 15.863 14.915 -19.627 523 H THR 65 H THR 65 18.851 18.881 -16.763 524 HA THR 65 HA THR 65 16.799 20.394 -18.241 525 HB THR 65 HB THR 65 17.871 21.266 -15.571 526 HG1 THR 65 1HG THR 65 15.746 19.473 -16.090 527 1HG2 THR 65 1HG2 THR 65 15.965 22.599 -15.399 528 2HG2 THR 65 2HG2 THR 65 15.140 21.742 -16.703 529 3HG2 THR 65 3HG2 THR 65 16.503 22.800 -17.067 530 H ALA 66 H ALA 66 17.350 22.538 -18.869 531 HA ALA 66 HA ALA 66 20.215 23.184 -18.766 532 1HB ALA 66 1HB ALA 66 18.520 23.329 -21.255 533 2HB ALA 66 2HB ALA 66 19.750 22.109 -20.922 534 3HB ALA 66 3HB ALA 66 20.214 23.801 -21.116 Start of MODEL 19 1 1H MET 1 1HT MET 1 0.414 15.159 -3.983 2 2H MET 1 2HT MET 1 1.473 15.691 -2.739 3 3H MET 1 3HT MET 1 -0.152 16.243 -2.781 4 HA MET 1 HA MET 1 -0.134 14.664 -1.148 5 1HB MET 1 2HB MET 1 -0.942 13.206 -3.669 6 2HB MET 1 1HB MET 1 -1.580 12.953 -2.051 7 1HG MET 1 2HG MET 1 -2.221 15.493 -2.270 8 2HG MET 1 1HG MET 1 -2.133 15.130 -3.992 9 1HE MET 1 1HE MET 1 -4.727 14.232 -0.708 10 2HE MET 1 2HE MET 1 -3.069 13.631 -0.754 11 3HE MET 1 3HE MET 1 -4.412 12.544 -1.111 12 H GLU 2 H GLU 2 0.766 12.912 -0.138 13 HA GLU 2 HA GLU 2 2.441 11.057 -1.590 14 1HB GLU 2 2HB GLU 2 3.721 13.284 -0.814 15 2HB GLU 2 1HB GLU 2 3.851 12.359 0.676 16 1HG GLU 2 2HG GLU 2 5.687 11.495 -0.237 17 2HG GLU 2 1HG GLU 2 4.581 10.517 -1.199 18 H GLN 3 H GLN 3 0.249 10.263 -0.435 19 HA GLN 3 HA GLN 3 0.846 9.399 2.295 20 1HB GLN 3 2HB GLN 3 -1.595 9.886 0.745 21 2HB GLN 3 1HB GLN 3 -1.653 8.413 1.701 22 1HG GLN 3 2HG GLN 3 -0.865 11.065 2.863 23 2HG GLN 3 1HG GLN 3 -2.537 10.511 2.790 24 1HE2 GLN 3 1HE2 GLN 3 -3.270 9.237 4.358 25 2HE2 GLN 3 2HE2 GLN 3 -2.294 8.502 5.591 26 H ARG 4 H ARG 4 2.388 8.259 0.246 27 HA ARG 4 HA ARG 4 1.312 5.667 -0.422 28 1HB ARG 4 2HB ARG 4 3.647 5.270 -1.297 29 2HB ARG 4 1HB ARG 4 2.789 6.619 -2.025 30 1HG ARG 4 2HG ARG 4 4.221 8.151 -1.205 31 2HG ARG 4 1HG ARG 4 4.465 7.273 0.306 32 1HD ARG 4 2HD ARG 4 5.526 5.886 -2.035 33 2HD ARG 4 1HD ARG 4 6.273 7.458 -1.750 34 HE ARG 4 HE ARG 4 6.203 6.128 0.687 35 1HH1 ARG 4 1HH1 ARG 4 7.697 5.732 -2.441 36 2HH1 ARG 4 2HH1 ARG 4 9.081 4.903 -1.815 37 1HH2 ARG 4 1HH2 ARG 4 8.025 5.036 1.514 38 2HH2 ARG 4 2HH2 ARG 4 9.268 4.508 0.430 39 H ILE 5 H ILE 5 1.018 4.300 1.179 40 HA ILE 5 HA ILE 5 3.091 4.021 3.238 41 HB ILE 5 HB ILE 5 0.555 2.509 3.469 42 1HG1 ILE 5 2HG1 ILE 5 0.679 5.501 3.866 43 2HG1 ILE 5 1HG1 ILE 5 -0.242 4.651 2.632 44 1HG2 ILE 5 1HG2 ILE 5 1.532 2.228 5.458 45 2HG2 ILE 5 2HG2 ILE 5 1.048 3.886 5.815 46 3HG2 ILE 5 3HG2 ILE 5 2.659 3.554 5.179 47 1HD1 ILE 5 1HD1 ILE 5 -1.907 4.156 4.040 48 2HD1 ILE 5 2HD1 ILE 5 -1.240 5.474 5.004 49 3HD1 ILE 5 3HD1 ILE 5 -0.811 3.805 5.375 50 H THR 6 H THR 6 2.803 1.531 4.097 51 HA THR 6 HA THR 6 3.817 -0.047 1.870 52 HB THR 6 HB THR 6 3.857 -1.584 4.235 53 HG1 THR 6 1HG THR 6 3.677 0.032 5.625 54 1HG2 THR 6 1HG2 THR 6 6.185 -1.517 4.055 55 2HG2 THR 6 2HG2 THR 6 6.162 0.048 3.243 56 3HG2 THR 6 3HG2 THR 6 5.592 -1.391 2.400 57 H LEU 7 H LEU 7 2.990 -2.048 1.248 58 HA LEU 7 HA LEU 7 0.164 -2.305 1.409 59 1HB LEU 7 2HB LEU 7 1.373 -3.034 -0.562 60 2HB LEU 7 1HB LEU 7 2.277 -4.201 0.384 61 HG LEU 7 HG LEU 7 0.239 -5.487 0.793 62 1HD1 LEU 7 1HD1 LEU 7 -1.846 -4.915 -0.320 63 2HD1 LEU 7 2HD1 LEU 7 -1.117 -3.440 -0.957 64 3HD1 LEU 7 3HD1 LEU 7 -1.353 -3.630 0.781 65 1HD2 LEU 7 1HD2 LEU 7 1.694 -5.584 -1.393 66 2HD2 LEU 7 2HD2 LEU 7 0.206 -5.008 -2.146 67 3HD2 LEU 7 3HD2 LEU 7 0.211 -6.527 -1.247 68 H LYS 8 H LYS 8 2.860 -3.869 3.031 69 HA LYS 8 HA LYS 8 1.392 -5.944 4.256 70 1HB LYS 8 2HB LYS 8 3.942 -5.686 4.005 71 2HB LYS 8 1HB LYS 8 3.852 -4.686 5.448 72 1HG LYS 8 2HG LYS 8 2.456 -7.211 5.766 73 2HG LYS 8 1HG LYS 8 4.161 -7.424 5.364 74 1HD LYS 8 2HD LYS 8 4.445 -7.194 7.592 75 2HD LYS 8 1HD LYS 8 4.336 -5.472 7.224 76 1HE LYS 8 2HE LYS 8 2.174 -5.307 8.009 77 2HE LYS 8 1HE LYS 8 1.841 -7.020 7.762 78 1HZ LYS 8 1HZ LYS 8 3.117 -7.579 9.660 79 2HZ LYS 8 2HZ LYS 8 2.088 -6.322 10.127 80 3HZ LYS 8 3HZ LYS 8 3.721 -6.006 9.819 81 H ASP 9 H ASP 9 2.412 -2.749 5.439 82 HA ASP 9 HA ASP 9 1.303 -2.947 8.002 83 1HB ASP 9 2HB ASP 9 1.905 -0.576 6.237 84 2HB ASP 9 1HB ASP 9 1.272 -0.393 7.870 85 H TYR 10 H TYR 10 -0.081 -1.745 4.970 86 HA TYR 10 HA TYR 10 -2.511 -0.816 6.003 87 1HB TYR 10 2HB TYR 10 -1.590 -0.419 3.681 88 2HB TYR 10 1HB TYR 10 -2.130 -2.042 3.269 89 HD1 TYR 10 1HD TYR 10 -4.647 -2.551 3.645 90 HD2 TYR 10 2HD TYR 10 -3.038 1.381 3.428 91 HE1 TYR 10 1HE TYR 10 -6.880 -1.673 3.108 92 HE2 TYR 10 2HE TYR 10 -5.267 2.271 2.892 93 HH TYR 10 HH TYR 10 -7.587 1.683 3.123 94 H ALA 11 H ALA 11 -1.448 -4.033 5.120 95 HA ALA 11 HA ALA 11 -4.025 -5.245 5.167 96 1HB ALA 11 1HB ALA 11 -2.959 -7.158 4.605 97 2HB ALA 11 2HB ALA 11 -1.669 -6.915 5.784 98 3HB ALA 11 3HB ALA 11 -1.635 -6.049 4.247 99 H MET 12 H MET 12 -1.329 -5.249 7.500 100 HA MET 12 HA MET 12 -2.828 -6.579 9.512 101 1HB MET 12 2HB MET 12 -0.125 -5.599 9.162 102 2HB MET 12 1HB MET 12 -0.723 -5.261 10.781 103 1HG MET 12 2HG MET 12 -1.426 -7.929 10.108 104 2HG MET 12 1HG MET 12 0.279 -7.689 9.735 105 1HE MET 12 1HE MET 12 -2.342 -7.540 12.992 106 2HE MET 12 2HE MET 12 -2.016 -6.019 12.161 107 3HE MET 12 3HE MET 12 -1.336 -6.314 13.761 108 H ARG 13 H ARG 13 -2.421 -3.288 8.579 109 HA ARG 13 HA ARG 13 -3.472 -2.248 11.081 110 1HB ARG 13 2HB ARG 13 -1.645 -1.128 9.692 111 2HB ARG 13 1HB ARG 13 -2.927 -0.673 8.571 112 1HG ARG 13 2HG ARG 13 -3.806 0.872 9.981 113 2HG ARG 13 1HG ARG 13 -3.327 -0.017 11.434 114 1HD ARG 13 2HD ARG 13 -1.862 1.736 11.539 115 2HD ARG 13 1HD ARG 13 -0.906 0.595 10.594 116 HE ARG 13 HE ARG 13 -2.497 2.323 8.962 117 1HH1 ARG 13 1HH1 ARG 13 0.500 2.077 10.731 118 2HH1 ARG 13 2HH1 ARG 13 1.313 3.260 9.763 119 1HH2 ARG 13 1HH2 ARG 13 -1.429 3.878 7.687 120 2HH2 ARG 13 2HH2 ARG 13 0.219 4.283 8.035 121 H PHE 14 H PHE 14 -4.382 -1.900 7.644 122 HA PHE 14 HA PHE 14 -7.111 -1.307 8.446 123 1HB PHE 14 2HB PHE 14 -5.586 -1.073 5.860 124 2HB PHE 14 1HB PHE 14 -7.311 -0.795 5.976 125 HD1 PHE 14 1HD PHE 14 -8.175 1.110 7.288 126 HD2 PHE 14 2HD PHE 14 -4.020 0.524 6.684 127 HE1 PHE 14 1HE PHE 14 -7.754 3.413 7.980 128 HE2 PHE 14 2HE PHE 14 -3.588 2.823 7.376 129 HZ PHE 14 HZ PHE 14 -5.462 4.252 8.019 130 H GLY 15 H GLY 15 -5.932 -4.051 8.574 131 1HA GLY 15 2HA GLY 15 -6.644 -6.196 8.173 132 2HA GLY 15 1HA GLY 15 -8.158 -5.490 7.631 133 H GLN 16 H GLN 16 -7.308 -7.737 6.406 134 HA GLN 16 HA GLN 16 -5.852 -7.016 3.994 135 1HB GLN 16 2HB GLN 16 -7.058 -9.645 4.876 136 2HB GLN 16 1HB GLN 16 -6.093 -9.416 3.424 137 1HG GLN 16 2HG GLN 16 -4.369 -8.443 5.194 138 2HG GLN 16 1HG GLN 16 -5.265 -9.522 6.264 139 1HE2 GLN 16 1HE2 GLN 16 -2.867 -9.267 3.892 140 2HE2 GLN 16 2HE2 GLN 16 -2.562 -10.963 3.670 141 H THR 17 H THR 17 -9.119 -7.696 5.028 142 HA THR 17 HA THR 17 -10.260 -8.055 2.468 143 HB THR 17 HB THR 17 -11.540 -7.070 5.028 144 HG1 THR 17 1HG THR 17 -12.050 -9.215 5.347 145 1HG2 THR 17 1HG2 THR 17 -12.950 -6.624 3.067 146 2HG2 THR 17 2HG2 THR 17 -13.640 -7.841 4.140 147 3HG2 THR 17 3HG2 THR 17 -12.860 -8.333 2.639 148 H LYS 18 H LYS 18 -9.958 -5.207 4.567 149 HA LYS 18 HA LYS 18 -11.330 -3.397 2.933 150 1HB LYS 18 2HB LYS 18 -10.290 -3.213 5.380 151 2HB LYS 18 1HB LYS 18 -8.988 -2.440 4.499 152 1HG LYS 18 2HG LYS 18 -10.880 -1.016 3.446 153 2HG LYS 18 1HG LYS 18 -11.810 -1.553 4.849 154 1HD LYS 18 2HD LYS 18 -9.341 -0.757 5.870 155 2HD LYS 18 1HD LYS 18 -9.754 0.462 4.664 156 1HE LYS 18 2HE LYS 18 -10.920 1.389 6.342 157 2HE LYS 18 1HE LYS 18 -12.130 0.168 5.933 158 1HZ LYS 18 1HZ LYS 18 -10.060 -0.013 8.062 159 2HZ LYS 18 2HZ LYS 18 -11.090 -1.286 7.617 160 3HZ LYS 18 3HZ LYS 18 -11.740 0.129 8.277 161 H THR 19 H THR 19 -7.962 -4.427 2.932 162 HA THR 19 HA THR 19 -6.939 -2.524 1.154 163 HB THR 19 HB THR 19 -5.867 -5.277 0.953 164 HG1 THR 19 1HG THR 19 -6.097 -3.881 3.392 165 1HG2 THR 19 1HG2 THR 19 -4.876 -2.607 0.772 166 2HG2 THR 19 2HG2 THR 19 -4.076 -4.128 0.373 167 3HG2 THR 19 3HG2 THR 19 -3.987 -3.489 2.014 168 H ALA 20 H ALA 20 -8.154 -5.805 0.485 169 HA ALA 20 HA ALA 20 -7.903 -5.600 -2.326 170 1HB ALA 20 1HB ALA 20 -9.784 -7.417 -0.835 171 2HB ALA 20 2HB ALA 20 -8.055 -7.726 -1.008 172 3HB ALA 20 3HB ALA 20 -9.086 -7.660 -2.437 173 H LYS 21 H LYS 21 -10.320 -4.522 -0.096 174 HA LYS 21 HA LYS 21 -12.370 -4.247 -2.106 175 1HB LYS 21 2HB LYS 21 -12.450 -4.541 0.601 176 2HB LYS 21 1HB LYS 21 -12.700 -2.809 0.444 177 1HG LYS 21 2HG LYS 21 -14.570 -3.254 -1.101 178 2HG LYS 21 1HG LYS 21 -14.350 -4.982 -0.827 179 1HD LYS 21 2HD LYS 21 -14.570 -3.416 1.634 180 2HD LYS 21 1HD LYS 21 -16.010 -3.345 0.617 181 1HE LYS 21 2HE LYS 21 -15.820 -5.892 0.488 182 2HE LYS 21 1HE LYS 21 -14.690 -5.752 1.835 183 1HZ LYS 21 1HZ LYS 21 -17.210 -4.345 2.149 184 2HZ LYS 21 2HZ LYS 21 -16.330 -5.256 3.271 185 3HZ LYS 21 3HZ LYS 21 -17.310 -6.034 2.137 186 H ASP 22 H ASP 22 -10.190 -2.123 -0.310 187 HA ASP 22 HA ASP 22 -11.210 0.285 -1.443 188 1HB ASP 22 2HB ASP 22 -9.056 -0.487 0.394 189 2HB ASP 22 1HB ASP 22 -8.683 0.921 -0.604 190 H LEU 23 H LEU 23 -8.620 -1.936 -2.264 191 HA LEU 23 HA LEU 23 -7.530 -0.225 -4.307 192 1HB LEU 23 2HB LEU 23 -6.977 -2.984 -3.312 193 2HB LEU 23 1HB LEU 23 -6.380 -2.526 -4.895 194 HG LEU 23 HG LEU 23 -5.608 -0.421 -3.236 195 1HD1 LEU 23 1HD1 LEU 23 -4.312 -1.654 -1.475 196 2HD1 LEU 23 2HD1 LEU 23 -5.295 -3.070 -1.845 197 3HD1 LEU 23 3HD1 LEU 23 -6.057 -1.604 -1.229 198 1HD2 LEU 23 1HD2 LEU 23 -3.481 -0.964 -3.926 199 2HD2 LEU 23 2HD2 LEU 23 -4.458 -1.773 -5.151 200 3HD2 LEU 23 3HD2 LEU 23 -3.772 -2.701 -3.817 201 H GLY 24 H GLY 24 -9.910 -2.756 -4.116 202 1HA GLY 24 2HA GLY 24 -11.570 -3.150 -5.720 203 2HA GLY 24 1HA GLY 24 -10.620 -2.262 -6.897 204 H VAL 25 H VAL 25 -9.360 -4.856 -4.903 205 HA VAL 25 HA VAL 25 -9.306 -6.615 -7.264 206 HB VAL 25 HB VAL 25 -7.043 -7.402 -6.490 207 1HG1 VAL 25 1HG1 VAL 25 -7.381 -4.564 -7.440 208 2HG1 VAL 25 2HG1 VAL 25 -7.176 -6.013 -8.424 209 3HG1 VAL 25 3HG1 VAL 25 -5.841 -5.422 -7.436 210 1HG2 VAL 25 1HG2 VAL 25 -7.383 -5.040 -4.674 211 2HG2 VAL 25 2HG2 VAL 25 -5.785 -5.602 -5.160 212 3HG2 VAL 25 3HG2 VAL 25 -6.866 -6.678 -4.276 213 H GLN 26 H GLN 26 -8.328 -8.874 -6.377 214 HA GLN 26 HA GLN 26 -10.200 -9.677 -4.290 215 1HB GLN 26 2HB GLN 26 -8.488 -11.550 -5.901 216 2HB GLN 26 1HB GLN 26 -10.020 -11.876 -5.109 217 1HG GLN 26 2HG GLN 26 -10.690 -9.913 -6.892 218 2HG GLN 26 1HG GLN 26 -9.468 -10.832 -7.771 219 1HE2 GLN 26 1HE2 GLN 26 -11.810 -10.901 -8.891 220 2HE2 GLN 26 2HE2 GLN 26 -12.640 -12.388 -8.605 221 H GLN 27 H GLN 27 -9.574 -10.875 -2.490 222 HA GLN 27 HA GLN 27 -7.214 -10.073 -1.226 223 1HB GLN 27 2HB GLN 27 -8.890 -12.502 -0.578 224 2HB GLN 27 1HB GLN 27 -7.774 -11.687 0.508 225 1HG GLN 27 2HG GLN 27 -9.194 -9.650 0.326 226 2HG GLN 27 1HG GLN 27 -10.350 -10.606 -0.599 227 1HE2 GLN 27 1HE2 GLN 27 -9.190 -9.775 2.492 228 2HE2 GLN 27 2HE2 GLN 27 -10.230 -10.793 3.417 229 H SER 28 H SER 28 -7.782 -12.591 -3.479 230 HA SER 28 HA SER 28 -5.710 -14.361 -2.744 231 1HB SER 28 2HB SER 28 -7.727 -14.483 -4.541 232 2HB SER 28 1HB SER 28 -6.377 -14.134 -5.621 233 HG SER 28 HG SER 28 -6.472 -16.248 -3.727 234 H ALA 29 H ALA 29 -5.832 -11.616 -4.977 235 HA ALA 29 HA ALA 29 -3.204 -11.897 -5.972 236 1HB ALA 29 1HB ALA 29 -5.124 -9.590 -5.880 237 2HB ALA 29 2HB ALA 29 -4.660 -10.585 -7.261 238 3HB ALA 29 3HB ALA 29 -3.510 -9.437 -6.575 239 H ILE 30 H ILE 30 -4.547 -10.147 -3.219 240 HA ILE 30 HA ILE 30 -2.288 -8.642 -2.539 241 HB ILE 30 HB ILE 30 -4.264 -9.809 -0.577 242 1HG1 ILE 30 2HG1 ILE 30 -5.528 -8.712 -2.321 243 2HG1 ILE 30 1HG1 ILE 30 -5.516 -7.671 -0.901 244 1HG2 ILE 30 1HG2 ILE 30 -3.123 -7.113 -0.226 245 2HG2 ILE 30 2HG2 ILE 30 -2.005 -8.462 -0.025 246 3HG2 ILE 30 3HG2 ILE 30 -3.461 -8.369 0.964 247 1HD1 ILE 30 1HD1 ILE 30 -3.435 -6.616 -2.128 248 2HD1 ILE 30 2HD1 ILE 30 -5.087 -6.139 -2.520 249 3HD1 ILE 30 3HD1 ILE 30 -4.235 -7.293 -3.547 250 H ASN 31 H ASN 31 -3.298 -11.875 -1.463 251 HA ASN 31 HA ASN 31 -1.160 -12.347 0.287 252 1HB ASN 31 2HB ASN 31 -3.253 -13.944 -1.010 253 2HB ASN 31 1HB ASN 31 -1.778 -14.847 -0.686 254 1HD2 ASN 31 1HD2 ASN 31 -1.028 -14.997 1.469 255 2HD2 ASN 31 2HD2 ASN 31 -2.124 -14.809 2.802 256 H LYS 32 H LYS 32 -1.514 -12.889 -3.180 257 HA LYS 32 HA LYS 32 0.889 -14.292 -3.573 258 1HB LYS 32 2HB LYS 32 -1.225 -13.222 -5.187 259 2HB LYS 32 1HB LYS 32 0.322 -12.799 -5.909 260 1HG LYS 32 2HG LYS 32 0.890 -14.985 -6.308 261 2HG LYS 32 1HG LYS 32 -0.157 -15.602 -5.028 262 1HD LYS 32 2HD LYS 32 -1.107 -16.173 -7.170 263 2HD LYS 32 1HD LYS 32 -2.125 -14.963 -6.388 264 1HE LYS 32 2HE LYS 32 -1.371 -13.252 -7.805 265 2HE LYS 32 1HE LYS 32 0.023 -14.191 -8.338 266 1HZ LYS 32 1HZ LYS 32 -2.773 -14.359 -9.195 267 2HZ LYS 32 2HZ LYS 32 -1.855 -15.780 -9.203 268 3HZ LYS 32 3HZ LYS 32 -1.355 -14.447 -10.115 269 H TRP 33 H TRP 33 0.150 -10.908 -3.320 270 HA TRP 33 HA TRP 33 2.559 -9.917 -4.417 271 1HB TRP 33 2HB TRP 33 0.457 -8.766 -2.619 272 2HB TRP 33 1HB TRP 33 1.799 -7.817 -3.234 273 HD1 TRP 33 HD TRP 33 1.319 -9.770 -6.005 274 HE1 TRP 33 1HE TRP 33 -0.384 -8.842 -7.702 275 HE3 TRP 33 3HE TRP 33 -1.067 -6.506 -2.957 276 HZ2 TRP 33 2HZ TRP 33 -2.483 -6.949 -7.716 277 HZ3 TRP 33 3HZ TRP 33 -2.923 -5.159 -3.864 278 HH2 TRP 33 HH TRP 33 -3.618 -5.381 -6.197 279 H ILE 34 H ILE 34 1.442 -10.435 -1.082 280 HA ILE 34 HA ILE 34 4.009 -9.690 0.013 281 HB ILE 34 HB ILE 34 1.687 -10.953 1.467 282 1HG1 ILE 34 2HG1 ILE 34 2.297 -8.007 1.148 283 2HG1 ILE 34 1HG1 ILE 34 1.052 -8.863 0.244 284 1HG2 ILE 34 1HG2 ILE 34 2.908 -9.333 3.244 285 2HG2 ILE 34 2HG2 ILE 34 4.287 -9.819 2.257 286 3HG2 ILE 34 3HG2 ILE 34 3.292 -11.044 3.045 287 1HD1 ILE 34 1HD1 ILE 34 -0.326 -8.254 1.874 288 2HD1 ILE 34 2HD1 ILE 34 1.004 -7.810 2.944 289 3HD1 ILE 34 3HD1 ILE 34 0.467 -9.488 2.854 290 H HIS 35 H HIS 35 2.707 -12.499 -1.319 291 HA HIS 35 HA HIS 35 3.976 -14.420 0.373 292 1HB HIS 35 2HB HIS 35 2.344 -14.447 -2.065 293 2HB HIS 35 1HB HIS 35 3.552 -15.724 -2.003 294 HD1 HIS 35 1HD HIS 35 2.254 -14.770 1.294 295 HD2 HIS 35 2HD HIS 35 1.264 -17.463 -1.712 296 HE1 HIS 35 1HE HIS 35 0.679 -16.415 2.358 297 HE2 HIS 35 2HE HIS 35 0.165 -18.088 0.545 298 H ALA 36 H ALA 36 4.874 -12.620 -2.447 299 HA ALA 36 HA ALA 36 7.418 -14.093 -2.594 300 1HB ALA 36 1HB ALA 36 6.467 -12.250 -4.748 301 2HB ALA 36 2HB ALA 36 5.824 -13.888 -4.624 302 3HB ALA 36 3HB ALA 36 7.554 -13.635 -4.856 303 H GLY 37 H GLY 37 6.250 -11.439 -1.150 304 1HA GLY 37 2HA GLY 37 7.288 -9.614 -0.216 305 2HA GLY 37 1HA GLY 37 8.810 -10.256 -0.813 306 H ARG 38 H ARG 38 5.871 -9.089 -2.457 307 HA ARG 38 HA ARG 38 7.489 -7.643 -4.361 308 1HB ARG 38 2HB ARG 38 5.309 -8.888 -4.868 309 2HB ARG 38 1HB ARG 38 4.487 -7.522 -4.125 310 1HG ARG 38 2HG ARG 38 4.544 -6.470 -6.068 311 2HG ARG 38 1HG ARG 38 6.307 -6.444 -5.980 312 1HD ARG 38 2HD ARG 38 6.361 -8.670 -7.040 313 2HD ARG 38 1HD ARG 38 4.604 -8.629 -7.180 314 HE ARG 38 HE ARG 38 5.397 -6.356 -8.432 315 1HH1 ARG 38 1HH1 ARG 38 6.263 -9.720 -8.771 316 2HH1 ARG 38 2HH1 ARG 38 6.615 -9.589 -10.462 317 1HH2 ARG 38 1HH2 ARG 38 5.859 -6.182 -10.657 318 2HH2 ARG 38 2HH2 ARG 38 6.386 -7.581 -11.532 319 H LYS 39 H LYS 39 8.377 -5.788 -3.719 320 HA LYS 39 HA LYS 39 7.429 -4.160 -1.637 321 1HB LYS 39 2HB LYS 39 9.660 -4.209 -3.393 322 2HB LYS 39 1HB LYS 39 8.960 -2.600 -3.488 323 1HG LYS 39 2HG LYS 39 10.237 -2.178 -1.704 324 2HG LYS 39 1HG LYS 39 8.968 -3.010 -0.805 325 1HD LYS 39 2HD LYS 39 10.254 -4.824 -0.415 326 2HD LYS 39 1HD LYS 39 11.014 -4.753 -2.007 327 1HE LYS 39 2HE LYS 39 11.998 -2.508 -0.792 328 2HE LYS 39 1HE LYS 39 11.893 -3.642 0.554 329 1HZ LYS 39 1HZ LYS 39 13.502 -4.946 -0.303 330 2HZ LYS 39 2HZ LYS 39 13.974 -3.519 -1.079 331 3HZ LYS 39 3HZ LYS 39 13.051 -4.668 -1.910 332 H ILE 40 H ILE 40 5.460 -3.270 -1.700 333 HA ILE 40 HA ILE 40 4.831 -1.515 -3.969 334 HB ILE 40 HB ILE 40 2.828 -3.375 -2.683 335 1HG1 ILE 40 2HG1 ILE 40 4.145 -3.451 -5.406 336 2HG1 ILE 40 1HG1 ILE 40 4.340 -4.629 -4.111 337 1HG2 ILE 40 1HG2 ILE 40 2.587 -1.332 -4.880 338 2HG2 ILE 40 2HG2 ILE 40 1.735 -1.370 -3.337 339 3HG2 ILE 40 3HG2 ILE 40 1.376 -2.577 -4.571 340 1HD1 ILE 40 1HD1 ILE 40 2.858 -5.446 -5.859 341 2HD1 ILE 40 2HD1 ILE 40 1.789 -4.068 -5.601 342 3HD1 ILE 40 3HD1 ILE 40 2.004 -5.266 -4.327 343 H PHE 41 H PHE 41 3.268 0.153 -3.467 344 HA PHE 41 HA PHE 41 2.752 0.628 -0.635 345 1HB PHE 41 2HB PHE 41 4.234 2.570 -2.417 346 2HB PHE 41 1HB PHE 41 3.560 2.990 -0.846 347 HD1 PHE 41 1HD PHE 41 5.941 0.648 -2.482 348 HD2 PHE 41 2HD PHE 41 4.833 2.710 1.071 349 HE1 PHE 41 1HE PHE 41 8.021 -0.103 -1.403 350 HE2 PHE 41 2HE PHE 41 6.910 1.964 2.157 351 HZ PHE 41 HZ PHE 41 8.506 0.554 0.920 352 H LEU 42 H LEU 42 0.742 1.359 -0.338 353 HA LEU 42 HA LEU 42 -0.747 2.264 -2.682 354 1HB LEU 42 2HB LEU 42 -2.626 2.109 -0.740 355 2HB LEU 42 1HB LEU 42 -2.208 0.799 -1.822 356 HG LEU 42 HG LEU 42 -2.411 0.106 0.530 357 1HD1 LEU 42 1HD1 LEU 42 0.303 -0.582 0.412 358 2HD1 LEU 42 2HD1 LEU 42 -0.259 -0.459 -1.255 359 3HD1 LEU 42 3HD1 LEU 42 -1.085 -1.531 -0.123 360 1HD2 LEU 42 1HD2 LEU 42 -1.468 1.188 2.215 361 2HD2 LEU 42 2HD2 LEU 42 -0.962 2.421 1.062 362 3HD2 LEU 42 3HD2 LEU 42 0.123 1.090 1.462 363 H THR 43 H THR 43 -1.990 4.152 -2.678 364 HA THR 43 HA THR 43 -1.128 6.146 -0.689 365 HB THR 43 HB THR 43 -2.029 6.642 -3.530 366 HG1 THR 43 1HG THR 43 -0.088 5.875 -3.887 367 1HG2 THR 43 1HG2 THR 43 -1.705 8.420 -1.361 368 2HG2 THR 43 2HG2 THR 43 -2.044 8.794 -3.051 369 3HG2 THR 43 3HG2 THR 43 -0.376 8.695 -2.487 370 H ILE 44 H ILE 44 -2.656 6.804 0.655 371 HA ILE 44 HA ILE 44 -5.442 6.234 0.101 372 HB ILE 44 HB ILE 44 -4.296 7.647 2.508 373 1HG1 ILE 44 2HG1 ILE 44 -4.801 4.692 2.084 374 2HG1 ILE 44 1HG1 ILE 44 -3.222 5.456 2.229 375 1HG2 ILE 44 1HG2 ILE 44 -6.725 5.971 2.654 376 2HG2 ILE 44 2HG2 ILE 44 -6.869 7.499 1.783 377 3HG2 ILE 44 3HG2 ILE 44 -6.339 7.488 3.466 378 1HD1 ILE 44 1HD1 ILE 44 -3.326 5.499 4.456 379 2HD1 ILE 44 2HD1 ILE 44 -4.608 4.303 4.263 380 3HD1 ILE 44 3HD1 ILE 44 -5.014 6.007 4.467 381 H ASN 45 H ASN 45 -6.617 7.601 -1.061 382 HA ASN 45 HA ASN 45 -5.858 10.362 -1.373 383 1HB ASN 45 2HB ASN 45 -8.255 8.826 -2.400 384 2HB ASN 45 1HB ASN 45 -7.856 10.482 -2.850 385 1HD2 ASN 45 1HD2 ASN 45 -7.187 7.156 -3.323 386 2HD2 ASN 45 2HD2 ASN 45 -6.008 7.344 -4.585 387 H ALA 46 H ALA 46 -7.710 12.037 -1.259 388 HA ALA 46 HA ALA 46 -8.657 12.035 1.473 389 1HB ALA 46 1HB ALA 46 -9.311 14.343 1.033 390 2HB ALA 46 2HB ALA 46 -8.928 14.133 -0.676 391 3HB ALA 46 3HB ALA 46 -7.647 14.048 0.533 392 H ASP 47 H ASP 47 -9.872 10.637 -1.190 393 HA ASP 47 HA ASP 47 -12.650 11.370 -0.627 394 1HB ASP 47 2HB ASP 47 -12.770 9.754 -2.830 395 2HB ASP 47 1HB ASP 47 -12.700 11.514 -2.877 396 H GLY 48 H GLY 48 -10.340 8.891 -0.211 397 1HA GLY 48 2HA GLY 48 -10.920 7.169 1.426 398 2HA GLY 48 1HA GLY 48 -12.490 7.053 0.635 399 H SER 49 H SER 49 -10.020 7.458 -1.624 400 HA SER 49 HA SER 49 -10.220 4.648 -2.372 401 1HB SER 49 2HB SER 49 -10.050 7.093 -3.810 402 2HB SER 49 1HB SER 49 -8.656 6.114 -4.230 403 HG SER 49 HG SER 49 -11.370 5.607 -4.636 404 H VAL 50 H VAL 50 -8.311 3.473 -3.060 405 HA VAL 50 HA VAL 50 -5.763 4.427 -2.000 406 HB VAL 50 HB VAL 50 -6.474 1.623 -1.294 407 1HG1 VAL 50 1HG1 VAL 50 -4.659 1.757 0.011 408 2HG1 VAL 50 2HG1 VAL 50 -5.099 3.352 0.625 409 3HG1 VAL 50 3HG1 VAL 50 -4.280 3.200 -0.929 410 1HG2 VAL 50 1HG2 VAL 50 -8.417 2.950 -0.528 411 2HG2 VAL 50 2HG2 VAL 50 -7.322 3.972 0.401 412 3HG2 VAL 50 3HG2 VAL 50 -7.489 2.263 0.805 413 H TYR 51 H TYR 51 -4.584 4.344 -3.819 414 HA TYR 51 HA TYR 51 -4.790 1.939 -5.499 415 1HB TYR 51 2HB TYR 51 -3.846 3.270 -7.310 416 2HB TYR 51 1HB TYR 51 -5.268 4.068 -6.645 417 HD1 TYR 51 1HD TYR 51 -1.545 4.066 -6.386 418 HD2 TYR 51 2HD TYR 51 -5.144 6.307 -6.044 419 HE1 TYR 51 1HE TYR 51 -0.229 6.118 -6.058 420 HE2 TYR 51 2HE TYR 51 -3.840 8.364 -5.716 421 HH TYR 51 HH TYR 51 -0.631 8.403 -4.936 422 H ALA 52 H ALA 52 -3.025 0.711 -5.961 423 HA ALA 52 HA ALA 52 -0.712 1.099 -4.244 424 1HB ALA 52 1HB ALA 52 -0.069 -1.173 -5.242 425 2HB ALA 52 2HB ALA 52 -1.693 -1.179 -5.929 426 3HB ALA 52 3HB ALA 52 -1.475 -1.105 -4.181 427 H GLU 53 H GLU 53 1.220 1.798 -4.893 428 HA GLU 53 HA GLU 53 1.628 2.237 -7.772 429 1HB GLU 53 2HB GLU 53 2.333 3.773 -5.348 430 2HB GLU 53 1HB GLU 53 3.564 3.731 -6.602 431 1HG GLU 53 2HG GLU 53 1.959 4.593 -8.218 432 2HG GLU 53 1HG GLU 53 0.713 4.620 -6.972 433 H GLU 54 H GLU 54 3.511 1.574 -8.769 434 HA GLU 54 HA GLU 54 5.075 -0.400 -7.265 435 1HB GLU 54 2HB GLU 54 3.850 -0.987 -9.440 436 2HB GLU 54 1HB GLU 54 5.089 -0.044 -10.255 437 1HG GLU 54 2HG GLU 54 6.384 -1.842 -8.487 438 2HG GLU 54 1HG GLU 54 5.183 -2.746 -9.408 439 H VAL 55 H VAL 55 7.234 -0.227 -6.996 440 HA VAL 55 HA VAL 55 8.632 1.982 -8.339 441 HB VAL 55 HB VAL 55 9.001 1.315 -5.417 442 1HG1 VAL 55 1HG1 VAL 55 10.934 2.383 -5.795 443 2HG1 VAL 55 2HG1 VAL 55 9.946 3.843 -5.835 444 3HG1 VAL 55 3HG1 VAL 55 10.384 3.032 -7.340 445 1HG2 VAL 55 1HG2 VAL 55 7.671 3.139 -4.820 446 2HG2 VAL 55 2HG2 VAL 55 6.750 2.349 -6.099 447 3HG2 VAL 55 3HG2 VAL 55 7.683 3.803 -6.453 448 H LYS 56 H LYS 56 9.432 0.261 -9.705 449 HA LYS 56 HA LYS 56 11.709 -1.123 -8.470 450 1HB LYS 56 2HB LYS 56 9.855 -2.360 -10.511 451 2HB LYS 56 1HB LYS 56 11.264 -3.123 -9.789 452 1HG LYS 56 2HG LYS 56 9.385 -2.172 -7.793 453 2HG LYS 56 1HG LYS 56 8.659 -3.326 -8.912 454 1HD LYS 56 2HD LYS 56 10.175 -5.012 -8.343 455 2HD LYS 56 1HD LYS 56 11.318 -3.871 -7.633 456 1HE LYS 56 2HE LYS 56 9.353 -3.389 -5.977 457 2HE LYS 56 1HE LYS 56 8.779 -4.969 -6.505 458 1HZ LYS 56 1HZ LYS 56 10.089 -5.640 -4.813 459 2HZ LYS 56 2HZ LYS 56 11.094 -4.283 -4.880 460 3HZ LYS 56 3HZ LYS 56 11.307 -5.548 -5.983 461 HA PRO 57 HA PRO 57 13.580 1.378 -11.779 462 1HB PRO 57 2HB PRO 57 15.901 -0.224 -10.803 463 2HB PRO 57 1HB PRO 57 15.789 1.509 -11.131 464 1HG PRO 57 2HG PRO 57 15.763 0.603 -8.631 465 2HG PRO 57 1HG PRO 57 14.726 1.955 -9.116 466 1HD PRO 57 2HD PRO 57 14.011 -0.892 -8.595 467 2HD PRO 57 1HD PRO 57 13.075 0.584 -8.284 468 H ASP 58 H ASP 58 13.844 0.879 -13.876 469 HA ASP 58 HA ASP 58 14.051 -1.964 -14.588 470 1HB ASP 58 2HB ASP 58 12.242 -0.019 -15.421 471 2HB ASP 58 1HB ASP 58 13.357 -0.180 -16.781 472 HA PRO 59 HA PRO 59 18.190 -1.193 -16.038 473 1HB PRO 59 2HB PRO 59 17.727 -3.514 -17.814 474 2HB PRO 59 1HB PRO 59 18.958 -3.277 -16.571 475 1HG PRO 59 2HG PRO 59 16.908 -4.955 -16.196 476 2HG PRO 59 1HG PRO 59 17.563 -3.978 -14.867 477 1HD PRO 59 2HD PRO 59 15.083 -3.555 -16.489 478 2HD PRO 59 1HD PRO 59 15.344 -3.330 -14.747 479 H SER 60 H SER 60 17.204 0.747 -17.151 480 HA SER 60 HA SER 60 16.879 2.053 -18.989 481 1HB SER 60 2HB SER 60 18.856 0.019 -20.010 482 2HB SER 60 1HB SER 60 18.313 1.370 -21.004 483 HG SER 60 HG SER 60 18.989 2.700 -19.121 484 H ASN 61 H ASN 61 14.643 1.524 -19.158 485 HA ASN 61 HA ASN 61 14.007 -0.333 -21.356 486 1HB ASN 61 2HB ASN 61 13.071 -0.690 -18.947 487 2HB ASN 61 1HB ASN 61 11.973 0.621 -19.365 488 1HD2 ASN 61 1HD2 ASN 61 13.160 -2.499 -20.530 489 2HD2 ASN 61 2HD2 ASN 61 11.665 -2.991 -21.263 490 H LYS 62 H LYS 62 12.672 0.328 -23.010 491 HA LYS 62 HA LYS 62 12.166 3.226 -23.137 492 1HB LYS 62 2HB LYS 62 13.124 1.247 -25.102 493 2HB LYS 62 1HB LYS 62 11.932 2.384 -25.716 494 1HG LYS 62 2HG LYS 62 13.923 3.447 -26.178 495 2HG LYS 62 1HG LYS 62 13.451 4.183 -24.645 496 1HD LYS 62 2HD LYS 62 14.951 2.721 -23.437 497 2HD LYS 62 1HD LYS 62 15.352 1.856 -24.923 498 1HE LYS 62 2HE LYS 62 17.121 3.264 -24.911 499 2HE LYS 62 1HE LYS 62 15.968 4.348 -25.685 500 1HZ LYS 62 1HZ LYS 62 15.896 5.678 -23.898 501 2HZ LYS 62 2HZ LYS 62 17.375 4.963 -23.497 502 3HZ LYS 62 3HZ LYS 62 15.947 4.398 -22.791 503 H LYS 63 H LYS 63 10.200 3.978 -24.009 504 HA LYS 63 HA LYS 63 8.094 2.066 -24.579 505 1HB LYS 63 2HB LYS 63 8.021 3.915 -22.198 506 2HB LYS 63 1HB LYS 63 6.567 3.224 -22.905 507 1HG LYS 63 2HG LYS 63 7.604 0.957 -22.529 508 2HG LYS 63 1HG LYS 63 8.840 1.780 -21.573 509 1HD LYS 63 2HD LYS 63 7.411 2.238 -19.867 510 2HD LYS 63 1HD LYS 63 6.015 2.400 -20.935 511 1HE LYS 63 2HE LYS 63 5.794 0.440 -19.503 512 2HE LYS 63 1HE LYS 63 5.931 -0.028 -21.197 513 1HZ LYS 63 1HZ LYS 63 8.400 -0.298 -20.685 514 2HZ LYS 63 2HZ LYS 63 7.346 -1.475 -20.084 515 3HZ LYS 63 3HZ LYS 63 7.946 -0.276 -19.055 516 H THR 64 H THR 64 7.972 2.964 -26.623 517 HA THR 64 HA THR 64 7.554 5.813 -26.937 518 HB THR 64 HB THR 64 7.083 4.782 -29.405 519 HG1 THR 64 1HG THR 64 8.571 3.050 -29.648 520 1HG2 THR 64 1HG2 THR 64 8.891 5.953 -29.870 521 2HG2 THR 64 2HG2 THR 64 9.911 4.760 -29.064 522 3HG2 THR 64 3HG2 THR 64 9.220 6.096 -28.142 523 H THR 65 H THR 65 5.587 6.016 -25.746 524 HA THR 65 HA THR 65 3.234 5.152 -27.290 525 HB THR 65 HB THR 65 2.097 5.207 -24.923 526 HG1 THR 65 1HG THR 65 4.789 4.610 -24.262 527 1HG2 THR 65 1HG2 THR 65 3.582 3.053 -26.258 528 2HG2 THR 65 2HG2 THR 65 1.907 3.117 -25.712 529 3HG2 THR 65 3HG2 THR 65 3.198 2.787 -24.557 530 H ALA 66 H ALA 66 1.354 6.534 -27.059 531 HA ALA 66 HA ALA 66 2.069 9.304 -27.113 532 1HB ALA 66 1HB ALA 66 -0.601 9.399 -27.234 533 2HB ALA 66 2HB ALA 66 -0.356 7.709 -27.676 534 3HB ALA 66 3HB ALA 66 0.407 8.987 -28.621 Start of MODEL 20 1 1H MET 1 1HT MET 1 2.677 15.540 5.400 2 2H MET 1 2HT MET 1 1.355 16.602 5.656 3 3H MET 1 3HT MET 1 1.634 15.936 4.099 4 HA MET 1 HA MET 1 1.096 14.277 6.456 5 1HB MET 1 2HB MET 1 -0.786 15.694 4.581 6 2HB MET 1 1HB MET 1 -1.260 14.216 5.406 7 1HG MET 1 2HG MET 1 -0.362 16.754 6.749 8 2HG MET 1 1HG MET 1 -2.032 16.221 6.571 9 1HE MET 1 1HE MET 1 -3.122 15.175 8.940 10 2HE MET 1 2HE MET 1 -2.272 16.720 8.950 11 3HE MET 1 3HE MET 1 -1.977 15.542 10.230 12 H GLU 2 H GLU 2 2.068 12.436 5.831 13 HA GLU 2 HA GLU 2 2.080 11.620 3.050 14 1HB GLU 2 2HB GLU 2 3.963 11.327 4.859 15 2HB GLU 2 1HB GLU 2 3.055 9.881 5.280 16 1HG GLU 2 2HG GLU 2 4.128 8.805 3.678 17 2HG GLU 2 1HG GLU 2 3.304 9.823 2.498 18 H GLN 3 H GLN 3 1.332 9.514 2.359 19 HA GLN 3 HA GLN 3 -0.487 8.044 4.027 20 1HB GLN 3 2HB GLN 3 -1.749 10.096 3.086 21 2HB GLN 3 1HB GLN 3 -1.696 9.243 1.551 22 1HG GLN 3 2HG GLN 3 -3.605 8.307 2.189 23 2HG GLN 3 1HG GLN 3 -2.621 7.321 3.267 24 1HE2 GLN 3 1HE2 GLN 3 -5.319 9.072 3.166 25 2HE2 GLN 3 2HE2 GLN 3 -5.404 9.627 4.809 26 H ARG 4 H ARG 4 1.888 7.440 2.628 27 HA ARG 4 HA ARG 4 0.866 5.479 0.683 28 1HB ARG 4 2HB ARG 4 3.192 5.674 -0.372 29 2HB ARG 4 1HB ARG 4 2.051 6.978 -0.658 30 1HG ARG 4 2HG ARG 4 3.399 8.477 0.270 31 2HG ARG 4 1HG ARG 4 3.639 7.475 1.701 32 1HD ARG 4 2HD ARG 4 5.500 6.431 0.823 33 2HD ARG 4 1HD ARG 4 5.025 6.755 -0.843 34 HE ARG 4 HE ARG 4 6.659 8.387 0.799 35 1HH1 ARG 4 1HH1 ARG 4 4.193 8.562 -1.663 36 2HH1 ARG 4 2HH1 ARG 4 4.714 10.102 -2.254 37 1HH2 ARG 4 1HH2 ARG 4 7.348 10.416 0.023 38 2HH2 ARG 4 2HH2 ARG 4 6.505 11.156 -1.297 39 H ILE 5 H ILE 5 0.710 4.257 2.740 40 HA ILE 5 HA ILE 5 3.136 3.359 3.982 41 HB ILE 5 HB ILE 5 0.481 1.994 4.274 42 1HG1 ILE 5 2HG1 ILE 5 0.867 4.052 6.240 43 2HG1 ILE 5 1HG1 ILE 5 0.893 4.753 4.637 44 1HG2 ILE 5 1HG2 ILE 5 2.960 2.310 5.902 45 2HG2 ILE 5 2HG2 ILE 5 2.023 0.859 5.545 46 3HG2 ILE 5 3HG2 ILE 5 1.421 2.029 6.717 47 1HD1 ILE 5 1HD1 ILE 5 -1.323 4.807 4.824 48 2HD1 ILE 5 2HD1 ILE 5 -1.325 3.663 6.166 49 3HD1 ILE 5 3HD1 ILE 5 -1.257 3.074 4.506 50 H THR 6 H THR 6 3.509 0.988 4.231 51 HA THR 6 HA THR 6 3.763 -0.190 1.612 52 HB THR 6 HB THR 6 4.671 -2.116 3.299 53 HG1 THR 6 1HG THR 6 5.616 -1.115 5.059 54 1HG2 THR 6 1HG2 THR 6 6.704 -0.115 3.176 55 2HG2 THR 6 2HG2 THR 6 5.836 -0.180 1.643 56 3HG2 THR 6 3HG2 THR 6 6.578 -1.639 2.299 57 H LEU 7 H LEU 7 2.958 -2.225 0.970 58 HA LEU 7 HA LEU 7 0.281 -2.719 1.577 59 1HB LEU 7 2HB LEU 7 1.338 -3.440 -0.503 60 2HB LEU 7 1HB LEU 7 2.332 -4.583 0.379 61 HG LEU 7 HG LEU 7 0.236 -5.771 1.069 62 1HD1 LEU 7 1HD1 LEU 7 -1.172 -4.294 -1.112 63 2HD1 LEU 7 2HD1 LEU 7 -1.149 -3.639 0.526 64 3HD1 LEU 7 3HD1 LEU 7 -1.841 -5.233 0.222 65 1HD2 LEU 7 1HD2 LEU 7 0.039 -6.980 -0.951 66 2HD2 LEU 7 2HD2 LEU 7 1.699 -6.385 -0.900 67 3HD2 LEU 7 3HD2 LEU 7 0.505 -5.582 -1.920 68 H LYS 8 H LYS 8 3.228 -4.112 2.902 69 HA LYS 8 HA LYS 8 2.103 -6.259 4.299 70 1HB LYS 8 2HB LYS 8 4.628 -5.323 3.942 71 2HB LYS 8 1HB LYS 8 4.349 -4.864 5.616 72 1HG LYS 8 2HG LYS 8 4.515 -6.967 6.340 73 2HG LYS 8 1HG LYS 8 3.530 -7.597 5.018 74 1HD LYS 8 2HD LYS 8 5.341 -8.295 3.925 75 2HD LYS 8 1HD LYS 8 6.078 -6.694 4.028 76 1HE LYS 8 2HE LYS 8 7.082 -7.182 6.108 77 2HE LYS 8 1HE LYS 8 6.095 -8.627 6.330 78 1HZ LYS 8 1HZ LYS 8 8.109 -9.484 5.662 79 2HZ LYS 8 2HZ LYS 8 8.422 -8.228 4.571 80 3HZ LYS 8 3HZ LYS 8 7.274 -9.410 4.192 81 H ASP 9 H ASP 9 2.761 -2.933 5.367 82 HA ASP 9 HA ASP 9 1.654 -3.304 7.964 83 1HB ASP 9 2HB ASP 9 2.371 -0.859 6.353 84 2HB ASP 9 1HB ASP 9 1.663 -0.742 7.959 85 H TYR 10 H TYR 10 0.403 -2.181 4.883 86 HA TYR 10 HA TYR 10 -1.993 -1.042 5.706 87 1HB TYR 10 2HB TYR 10 -0.926 -1.174 3.349 88 2HB TYR 10 1HB TYR 10 -1.799 -2.696 3.202 89 HD1 TYR 10 1HD TYR 10 -4.375 -2.527 3.843 90 HD2 TYR 10 2HD TYR 10 -1.959 0.746 2.604 91 HE1 TYR 10 1HE TYR 10 -6.395 -1.304 3.156 92 HE2 TYR 10 2HE TYR 10 -3.971 1.979 1.912 93 HH TYR 10 HH TYR 10 -7.127 0.968 2.760 94 H ALA 11 H ALA 11 -1.095 -4.401 5.345 95 HA ALA 11 HA ALA 11 -3.781 -5.396 5.600 96 1HB ALA 11 1HB ALA 11 -1.105 -6.776 5.714 97 2HB ALA 11 2HB ALA 11 -2.216 -6.703 4.345 98 3HB ALA 11 3HB ALA 11 -2.656 -7.611 5.791 99 H MET 12 H MET 12 -1.143 -4.653 7.750 100 HA MET 12 HA MET 12 -2.301 -6.061 9.971 101 1HB MET 12 2HB MET 12 0.249 -4.927 9.342 102 2HB MET 12 1HB MET 12 -0.302 -4.280 10.880 103 1HG MET 12 2HG MET 12 -0.558 -6.500 11.774 104 2HG MET 12 1HG MET 12 -0.157 -7.209 10.211 105 1HE MET 12 1HE MET 12 2.196 -4.027 11.216 106 2HE MET 12 2HE MET 12 2.716 -4.717 12.753 107 3HE MET 12 3HE MET 12 1.004 -4.421 12.455 108 H ARG 13 H ARG 13 -2.202 -2.826 8.731 109 HA ARG 13 HA ARG 13 -3.411 -1.709 11.129 110 1HB ARG 13 2HB ARG 13 -1.627 -0.585 9.588 111 2HB ARG 13 1HB ARG 13 -3.018 -0.176 8.584 112 1HG ARG 13 2HG ARG 13 -3.952 0.671 10.929 113 2HG ARG 13 1HG ARG 13 -2.220 0.850 11.243 114 1HD ARG 13 2HD ARG 13 -1.958 2.288 9.354 115 2HD ARG 13 1HD ARG 13 -3.603 1.964 8.808 116 HE ARG 13 HE ARG 13 -2.781 3.821 10.845 117 1HH1 ARG 13 1HH1 ARG 13 -5.420 1.892 9.622 118 2HH1 ARG 13 2HH1 ARG 13 -6.642 2.886 10.341 119 1HH2 ARG 13 1HH2 ARG 13 -4.388 5.127 11.791 120 2HH2 ARG 13 2HH2 ARG 13 -6.057 4.721 11.571 121 H PHE 14 H PHE 14 -4.228 -1.448 7.669 122 HA PHE 14 HA PHE 14 -6.974 -0.931 8.266 123 1HB PHE 14 2HB PHE 14 -5.570 -1.400 5.634 124 2HB PHE 14 1HB PHE 14 -7.180 -0.739 5.846 125 HD1 PHE 14 1HD PHE 14 -7.487 1.501 6.809 126 HD2 PHE 14 2HD PHE 14 -3.626 -0.049 5.993 127 HE1 PHE 14 1HE PHE 14 -6.552 3.749 6.994 128 HE2 PHE 14 2HE PHE 14 -2.681 2.190 6.179 129 HZ PHE 14 HZ PHE 14 -4.152 4.074 6.677 130 H GLY 15 H GLY 15 -5.136 -3.614 6.836 131 1HA GLY 15 2HA GLY 15 -5.922 -5.874 7.436 132 2HA GLY 15 1HA GLY 15 -7.553 -5.287 7.157 133 H GLN 16 H GLN 16 -5.952 -7.512 5.942 134 HA GLN 16 HA GLN 16 -5.230 -6.915 3.308 135 1HB GLN 16 2HB GLN 16 -6.387 -9.506 4.353 136 2HB GLN 16 1HB GLN 16 -5.460 -9.307 2.873 137 1HG GLN 16 2HG GLN 16 -3.476 -8.840 4.065 138 2HG GLN 16 1HG GLN 16 -4.351 -8.646 5.584 139 1HE2 GLN 16 1HE2 GLN 16 -2.953 -10.183 6.528 140 2HE2 GLN 16 2HE2 GLN 16 -3.171 -11.882 6.242 141 H THR 17 H THR 17 -8.355 -7.592 4.745 142 HA THR 17 HA THR 17 -9.798 -8.007 2.356 143 HB THR 17 HB THR 17 -10.770 -6.927 5.009 144 HG1 THR 17 1HG THR 17 -11.180 -9.045 5.502 145 1HG2 THR 17 1HG2 THR 17 -12.950 -7.585 4.424 146 2HG2 THR 17 2HG2 THR 17 -12.390 -8.401 2.963 147 3HG2 THR 17 3HG2 THR 17 -12.340 -6.641 3.065 148 H LYS 18 H LYS 18 -9.300 -5.093 4.330 149 HA LYS 18 HA LYS 18 -10.810 -3.373 2.673 150 1HB LYS 18 2HB LYS 18 -10.030 -3.003 5.094 151 2HB LYS 18 1HB LYS 18 -8.508 -2.480 4.388 152 1HG LYS 18 2HG LYS 18 -10.050 -0.904 2.979 153 2HG LYS 18 1HG LYS 18 -11.180 -1.182 4.302 154 1HD LYS 18 2HD LYS 18 -9.165 -0.587 5.820 155 2HD LYS 18 1HD LYS 18 -8.498 0.137 4.356 156 1HE LYS 18 2HE LYS 18 -9.640 1.968 4.935 157 2HE LYS 18 1HE LYS 18 -11.070 1.095 4.386 158 1HZ LYS 18 1HZ LYS 18 -10.050 1.332 7.159 159 2HZ LYS 18 2HZ LYS 18 -11.250 0.229 6.713 160 3HZ LYS 18 3HZ LYS 18 -11.520 1.890 6.548 161 H THR 19 H THR 19 -7.440 -4.346 2.683 162 HA THR 19 HA THR 19 -6.407 -2.427 0.936 163 HB THR 19 HB THR 19 -5.488 -5.291 0.919 164 HG1 THR 19 1HG THR 19 -4.374 -4.868 2.824 165 1HG2 THR 19 1HG2 THR 19 -3.252 -3.946 1.133 166 2HG2 THR 19 2HG2 THR 19 -4.225 -2.647 0.443 167 3HG2 THR 19 3HG2 THR 19 -4.037 -4.167 -0.431 168 H ALA 20 H ALA 20 -8.216 -5.363 0.315 169 HA ALA 20 HA ALA 20 -7.811 -5.172 -2.554 170 1HB ALA 20 1HB ALA 20 -8.211 -7.295 -0.917 171 2HB ALA 20 2HB ALA 20 -8.489 -7.312 -2.658 172 3HB ALA 20 3HB ALA 20 -9.838 -7.048 -1.553 173 H LYS 21 H LYS 21 -10.210 -4.350 -0.172 174 HA LYS 21 HA LYS 21 -12.330 -3.937 -2.080 175 1HB LYS 21 2HB LYS 21 -12.690 -4.563 0.327 176 2HB LYS 21 1HB LYS 21 -12.170 -2.943 0.769 177 1HG LYS 21 2HG LYS 21 -14.560 -3.008 0.768 178 2HG LYS 21 1HG LYS 21 -14.030 -2.032 -0.602 179 1HD LYS 21 2HD LYS 21 -14.490 -3.777 -2.139 180 2HD LYS 21 1HD LYS 21 -14.700 -4.954 -0.841 181 1HE LYS 21 2HE LYS 21 -16.560 -3.109 -0.154 182 2HE LYS 21 1HE LYS 21 -16.580 -2.952 -1.910 183 1HZ LYS 21 1HZ LYS 21 -18.070 -4.623 -1.672 184 2HZ LYS 21 2HZ LYS 21 -17.390 -5.203 -0.236 185 3HZ LYS 21 3HZ LYS 21 -16.660 -5.571 -1.720 186 H ASP 22 H ASP 22 -9.944 -1.944 -0.434 187 HA ASP 22 HA ASP 22 -11.030 0.559 -1.203 188 1HB ASP 22 2HB ASP 22 -8.584 -0.422 0.095 189 2HB ASP 22 1HB ASP 22 -8.354 1.047 -0.854 190 H LEU 23 H LEU 23 -8.542 -1.539 -2.596 191 HA LEU 23 HA LEU 23 -8.008 0.272 -4.770 192 1HB LEU 23 2HB LEU 23 -6.798 -2.059 -3.645 193 2HB LEU 23 1HB LEU 23 -7.049 -2.334 -5.359 194 HG LEU 23 HG LEU 23 -5.918 0.292 -4.879 195 1HD1 LEU 23 1HD1 LEU 23 -3.866 -0.233 -3.915 196 2HD1 LEU 23 2HD1 LEU 23 -4.105 -1.967 -4.118 197 3HD1 LEU 23 3HD1 LEU 23 -5.035 -1.083 -2.908 198 1HD2 LEU 23 1HD2 LEU 23 -4.755 -0.185 -6.762 199 2HD2 LEU 23 2HD2 LEU 23 -6.001 -1.421 -6.929 200 3HD2 LEU 23 3HD2 LEU 23 -4.421 -1.845 -6.270 201 H GLY 24 H GLY 24 -9.380 -3.018 -4.571 202 1HA GLY 24 2HA GLY 24 -11.590 -3.212 -5.764 203 2HA GLY 24 1HA GLY 24 -10.760 -2.473 -7.123 204 H VAL 25 H VAL 25 -9.570 -4.959 -4.905 205 HA VAL 25 HA VAL 25 -9.668 -6.925 -7.080 206 HB VAL 25 HB VAL 25 -7.353 -7.687 -6.398 207 1HG1 VAL 25 1HG1 VAL 25 -8.032 -6.222 -8.419 208 2HG1 VAL 25 2HG1 VAL 25 -6.326 -6.354 -7.992 209 3HG1 VAL 25 3HG1 VAL 25 -7.243 -4.920 -7.529 210 1HG2 VAL 25 1HG2 VAL 25 -7.205 -6.512 -4.272 211 2HG2 VAL 25 2HG2 VAL 25 -7.289 -4.960 -5.108 212 3HG2 VAL 25 3HG2 VAL 25 -5.897 -6.015 -5.346 213 H GLN 26 H GLN 26 -8.658 -9.101 -6.038 214 HA GLN 26 HA GLN 26 -10.280 -9.572 -3.653 215 1HB GLN 26 2HB GLN 26 -9.022 -11.601 -5.501 216 2HB GLN 26 1HB GLN 26 -10.200 -11.922 -4.236 217 1HG GLN 26 2HG GLN 26 -11.920 -10.849 -5.438 218 2HG GLN 26 1HG GLN 26 -10.780 -10.148 -6.586 219 1HE2 GLN 26 1HE2 GLN 26 -9.276 -12.116 -7.438 220 2HE2 GLN 26 2HE2 GLN 26 -10.200 -13.384 -8.159 221 H GLN 27 H GLN 27 -9.420 -11.127 -2.055 222 HA GLN 27 HA GLN 27 -6.970 -10.242 -1.013 223 1HB GLN 27 2HB GLN 27 -8.352 -12.836 -0.330 224 2HB GLN 27 1HB GLN 27 -7.249 -11.918 0.686 225 1HG GLN 27 2HG GLN 27 -8.876 -10.609 1.448 226 2HG GLN 27 1HG GLN 27 -9.538 -10.350 -0.166 227 1HE2 GLN 27 1HE2 GLN 27 -9.765 -12.126 2.766 228 2HE2 GLN 27 2HE2 GLN 27 -11.190 -13.019 2.373 229 H SER 28 H SER 28 -7.667 -12.595 -3.393 230 HA SER 28 HA SER 28 -5.541 -14.383 -3.060 231 1HB SER 28 2HB SER 28 -7.536 -14.584 -4.645 232 2HB SER 28 1HB SER 28 -6.635 -13.539 -5.744 233 HG SER 28 HG SER 28 -6.011 -15.514 -6.349 234 H ALA 29 H ALA 29 -5.743 -11.378 -4.945 235 HA ALA 29 HA ALA 29 -3.133 -11.489 -5.998 236 1HB ALA 29 1HB ALA 29 -4.683 -10.043 -7.051 237 2HB ALA 29 2HB ALA 29 -3.458 -9.003 -6.326 238 3HB ALA 29 3HB ALA 29 -5.027 -9.195 -5.544 239 H ILE 30 H ILE 30 -4.435 -9.934 -3.088 240 HA ILE 30 HA ILE 30 -2.045 -8.679 -2.287 241 HB ILE 30 HB ILE 30 -4.463 -9.567 -0.714 242 1HG1 ILE 30 2HG1 ILE 30 -4.791 -7.079 -0.555 243 2HG1 ILE 30 1HG1 ILE 30 -3.438 -6.884 -1.660 244 1HG2 ILE 30 1HG2 ILE 30 -3.001 -9.568 1.035 245 2HG2 ILE 30 2HG2 ILE 30 -3.368 -7.843 0.980 246 3HG2 ILE 30 3HG2 ILE 30 -1.884 -8.452 0.248 247 1HD1 ILE 30 1HD1 ILE 30 -4.615 -7.841 -3.440 248 2HD1 ILE 30 2HD1 ILE 30 -5.773 -6.779 -2.640 249 3HD1 ILE 30 3HD1 ILE 30 -5.842 -8.521 -2.373 250 H ASN 31 H ASN 31 -3.243 -11.934 -1.929 251 HA ASN 31 HA ASN 31 -1.431 -12.769 0.084 252 1HB ASN 31 2HB ASN 31 -3.597 -13.916 -0.606 253 2HB ASN 31 1HB ASN 31 -2.709 -14.552 -1.988 254 1HD2 ASN 31 1HD2 ASN 31 -2.233 -16.590 -1.653 255 2HD2 ASN 31 2HD2 ASN 31 -1.649 -17.276 -0.169 256 H LYS 32 H LYS 32 -1.402 -12.977 -3.456 257 HA LYS 32 HA LYS 32 1.082 -14.347 -3.586 258 1HB LYS 32 2HB LYS 32 -0.209 -12.713 -5.765 259 2HB LYS 32 1HB LYS 32 0.967 -14.006 -5.963 260 1HG LYS 32 2HG LYS 32 -1.706 -14.508 -4.704 261 2HG LYS 32 1HG LYS 32 -1.487 -14.522 -6.455 262 1HD LYS 32 2HD LYS 32 -0.135 -16.397 -6.403 263 2HD LYS 32 1HD LYS 32 0.338 -16.133 -4.723 264 1HE LYS 32 2HE LYS 32 -2.336 -16.496 -4.459 265 2HE LYS 32 1HE LYS 32 -1.993 -17.537 -5.839 266 1HZ LYS 32 1HZ LYS 32 -0.336 -17.683 -3.403 267 2HZ LYS 32 2HZ LYS 32 -0.581 -18.859 -4.595 268 3HZ LYS 32 3HZ LYS 32 -1.811 -18.509 -3.488 269 H TRP 33 H TRP 33 0.157 -11.032 -3.345 270 HA TRP 33 HA TRP 33 2.500 -9.850 -4.376 271 1HB TRP 33 2HB TRP 33 0.298 -8.954 -2.561 272 2HB TRP 33 1HB TRP 33 1.625 -7.883 -2.976 273 HD1 TRP 33 HD TRP 33 1.366 -9.544 -5.987 274 HE1 TRP 33 1HE TRP 33 -0.278 -8.461 -7.658 275 HE3 TRP 33 3HE TRP 33 -1.267 -6.712 -2.720 276 HZ2 TRP 33 2HZ TRP 33 -2.430 -6.633 -7.567 277 HZ3 TRP 33 3HZ TRP 33 -3.115 -5.313 -3.563 278 HH2 TRP 33 HH TRP 33 -3.685 -5.279 -5.940 279 H ILE 34 H ILE 34 1.462 -10.656 -1.072 280 HA ILE 34 HA ILE 34 3.984 -9.787 0.048 281 HB ILE 34 HB ILE 34 1.800 -11.309 1.463 282 1HG1 ILE 34 2HG1 ILE 34 2.108 -8.309 1.186 283 2HG1 ILE 34 1HG1 ILE 34 0.888 -9.280 0.367 284 1HG2 ILE 34 1HG2 ILE 34 2.895 -10.889 3.382 285 2HG2 ILE 34 2HG2 ILE 34 3.410 -9.285 2.860 286 3HG2 ILE 34 3HG2 ILE 34 4.294 -10.713 2.322 287 1HD1 ILE 34 1HD1 ILE 34 1.057 -8.428 3.193 288 2HD1 ILE 34 2HD1 ILE 34 0.348 -10.008 2.857 289 3HD1 ILE 34 3HD1 ILE 34 -0.340 -8.557 2.125 290 H HIS 35 H HIS 35 2.515 -12.746 -1.020 291 HA HIS 35 HA HIS 35 4.011 -14.622 0.395 292 1HB HIS 35 2HB HIS 35 2.373 -14.589 -2.033 293 2HB HIS 35 1HB HIS 35 3.648 -15.799 -2.065 294 HD1 HIS 35 1HD HIS 35 2.351 -15.155 1.301 295 HD2 HIS 35 2HD HIS 35 1.442 -17.661 -1.884 296 HE1 HIS 35 1HE HIS 35 0.868 -16.946 2.258 297 HE2 HIS 35 2HE HIS 35 0.408 -18.503 0.333 298 H ALA 36 H ALA 36 4.853 -12.622 -2.297 299 HA ALA 36 HA ALA 36 7.457 -13.977 -2.508 300 1HB ALA 36 1HB ALA 36 5.832 -13.701 -4.536 301 2HB ALA 36 2HB ALA 36 7.566 -13.457 -4.744 302 3HB ALA 36 3HB ALA 36 6.494 -12.067 -4.585 303 H GLY 37 H GLY 37 5.891 -11.082 -1.573 304 1HA GLY 37 2HA GLY 37 6.907 -9.366 -0.332 305 2HA GLY 37 1HA GLY 37 8.475 -9.903 -0.914 306 H ARG 38 H ARG 38 5.444 -8.620 -2.294 307 HA ARG 38 HA ARG 38 6.940 -7.221 -4.344 308 1HB ARG 38 2HB ARG 38 4.550 -8.386 -4.451 309 2HB ARG 38 1HB ARG 38 4.018 -6.786 -3.955 310 1HG ARG 38 2HG ARG 38 4.144 -6.097 -6.051 311 2HG ARG 38 1HG ARG 38 5.872 -6.444 -6.064 312 1HD ARG 38 2HD ARG 38 5.601 -8.286 -7.303 313 2HD ARG 38 1HD ARG 38 4.228 -8.832 -6.344 314 HE ARG 38 HE ARG 38 3.494 -6.659 -8.011 315 1HH1 ARG 38 1HH1 ARG 38 4.191 -10.078 -8.091 316 2HH1 ARG 38 2HH1 ARG 38 3.199 -10.375 -9.479 317 1HH2 ARG 38 1HH2 ARG 38 2.187 -7.049 -9.835 318 2HH2 ARG 38 2HH2 ARG 38 2.060 -8.656 -10.469 319 H LYS 39 H LYS 39 7.781 -5.281 -4.014 320 HA LYS 39 HA LYS 39 7.101 -3.685 -1.746 321 1HB LYS 39 2HB LYS 39 8.804 -3.039 -4.161 322 2HB LYS 39 1HB LYS 39 8.704 -2.058 -2.705 323 1HG LYS 39 2HG LYS 39 9.415 -4.896 -2.324 324 2HG LYS 39 1HG LYS 39 10.614 -3.881 -3.127 325 1HD LYS 39 2HD LYS 39 10.217 -2.237 -1.188 326 2HD LYS 39 1HD LYS 39 9.451 -3.602 -0.375 327 1HE LYS 39 2HE LYS 39 12.025 -4.288 -1.544 328 2HE LYS 39 1HE LYS 39 12.143 -2.991 -0.357 329 1HZ LYS 39 1HZ LYS 39 10.945 -5.675 0.075 330 2HZ LYS 39 2HZ LYS 39 10.932 -4.423 1.211 331 3HZ LYS 39 3HZ LYS 39 12.401 -5.103 0.723 332 H ILE 40 H ILE 40 5.022 -2.965 -1.802 333 HA ILE 40 HA ILE 40 4.343 -1.120 -3.997 334 HB ILE 40 HB ILE 40 2.329 -2.833 -2.547 335 1HG1 ILE 40 2HG1 ILE 40 3.574 -3.257 -5.273 336 2HG1 ILE 40 1HG1 ILE 40 3.826 -4.269 -3.854 337 1HG2 ILE 40 1HG2 ILE 40 2.207 -0.913 -4.842 338 2HG2 ILE 40 2HG2 ILE 40 1.214 -0.973 -3.384 339 3HG2 ILE 40 3HG2 ILE 40 0.997 -2.181 -4.652 340 1HD1 ILE 40 1HD1 ILE 40 1.889 -4.561 -5.839 341 2HD1 ILE 40 2HD1 ILE 40 1.025 -4.015 -4.401 342 3HD1 ILE 40 3HD1 ILE 40 2.029 -5.463 -4.329 343 H PHE 41 H PHE 41 2.727 0.526 -3.393 344 HA PHE 41 HA PHE 41 2.558 1.071 -0.524 345 1HB PHE 41 2HB PHE 41 3.649 3.014 -2.566 346 2HB PHE 41 1HB PHE 41 3.191 3.453 -0.923 347 HD1 PHE 41 1HD PHE 41 4.531 2.758 0.969 348 HD2 PHE 41 2HD PHE 41 5.640 1.725 -3.007 349 HE1 PHE 41 1HE PHE 41 6.780 2.147 1.759 350 HE2 PHE 41 2HE PHE 41 7.889 1.112 -2.224 351 HZ PHE 41 HZ PHE 41 8.463 1.322 0.161 352 H LEU 42 H LEU 42 0.477 1.287 -0.111 353 HA LEU 42 HA LEU 42 -1.412 2.039 -2.138 354 1HB LEU 42 2HB LEU 42 -1.599 1.249 0.746 355 2HB LEU 42 1HB LEU 42 -2.995 1.900 -0.091 356 HG LEU 42 HG LEU 42 -2.217 -0.020 -1.833 357 1HD1 LEU 42 1HD1 LEU 42 -0.549 -0.602 0.154 358 2HD1 LEU 42 2HD1 LEU 42 -1.267 -1.840 -0.877 359 3HD1 LEU 42 3HD1 LEU 42 -1.956 -1.506 0.711 360 1HD2 LEU 42 1HD2 LEU 42 -3.979 -0.669 0.506 361 2HD2 LEU 42 2HD2 LEU 42 -4.133 -1.195 -1.169 362 3HD2 LEU 42 3HD2 LEU 42 -4.467 0.482 -0.739 363 H THR 43 H THR 43 -1.976 4.039 -2.624 364 HA THR 43 HA THR 43 -1.468 6.172 -0.670 365 HB THR 43 HB THR 43 -2.192 6.844 -3.467 366 HG1 THR 43 1HG THR 43 0.351 5.784 -2.800 367 1HG2 THR 43 1HG2 THR 43 -1.361 8.785 -2.832 368 2HG2 THR 43 2HG2 THR 43 0.225 8.031 -2.667 369 3HG2 THR 43 3HG2 THR 43 -0.866 8.103 -1.283 370 H ILE 44 H ILE 44 -3.229 6.490 0.543 371 HA ILE 44 HA ILE 44 -5.886 6.222 -0.592 372 HB ILE 44 HB ILE 44 -5.163 7.080 2.208 373 1HG1 ILE 44 2HG1 ILE 44 -5.851 4.279 1.311 374 2HG1 ILE 44 1HG1 ILE 44 -4.192 4.842 1.490 375 1HG2 ILE 44 1HG2 ILE 44 -7.662 6.455 0.782 376 2HG2 ILE 44 2HG2 ILE 44 -7.375 7.510 2.165 377 3HG2 ILE 44 3HG2 ILE 44 -7.508 5.767 2.399 378 1HD1 ILE 44 1HD1 ILE 44 -4.274 4.294 3.626 379 2HD1 ILE 44 2HD1 ILE 44 -5.970 3.836 3.469 380 3HD1 ILE 44 3HD1 ILE 44 -5.538 5.498 3.872 381 H ASN 45 H ASN 45 -6.850 7.856 -1.579 382 HA ASN 45 HA ASN 45 -5.894 10.558 -1.290 383 1HB ASN 45 2HB ASN 45 -8.256 9.484 -2.847 384 2HB ASN 45 1HB ASN 45 -7.588 11.108 -2.984 385 1HD2 ASN 45 1HD2 ASN 45 -7.609 8.089 -4.304 386 2HD2 ASN 45 2HD2 ASN 45 -6.124 8.161 -5.200 387 H ALA 46 H ALA 46 -7.618 12.340 -1.081 388 HA ALA 46 HA ALA 46 -8.814 12.072 1.495 389 1HB ALA 46 1HB ALA 46 -9.818 14.400 0.641 390 2HB ALA 46 2HB ALA 46 -8.478 14.233 -0.493 391 3HB ALA 46 3HB ALA 46 -8.169 14.226 1.244 392 H ASP 47 H ASP 47 -9.879 11.159 -1.553 393 HA ASP 47 HA ASP 47 -12.690 11.641 -1.005 394 1HB ASP 47 2HB ASP 47 -12.720 10.225 -3.299 395 2HB ASP 47 1HB ASP 47 -12.520 11.973 -3.246 396 H GLY 48 H GLY 48 -10.350 9.178 -0.627 397 1HA GLY 48 2HA GLY 48 -10.890 7.311 0.808 398 2HA GLY 48 1HA GLY 48 -12.500 7.290 0.087 399 H SER 49 H SER 49 -9.971 7.800 -2.139 400 HA SER 49 HA SER 49 -10.280 5.053 -3.106 401 1HB SER 49 2HB SER 49 -10.260 7.578 -4.404 402 2HB SER 49 1HB SER 49 -8.872 6.657 -4.976 403 HG SER 49 HG SER 49 -11.570 5.791 -4.959 404 H VAL 50 H VAL 50 -8.656 3.649 -3.044 405 HA VAL 50 HA VAL 50 -5.957 4.681 -2.449 406 HB VAL 50 HB VAL 50 -6.765 1.898 -1.706 407 1HG1 VAL 50 1HG1 VAL 50 -4.434 2.455 -1.546 408 2HG1 VAL 50 2HG1 VAL 50 -5.095 2.306 0.082 409 3HG1 VAL 50 3HG1 VAL 50 -4.802 3.902 -0.608 410 1HG2 VAL 50 1HG2 VAL 50 -7.262 2.886 0.611 411 2HG2 VAL 50 2HG2 VAL 50 -8.512 3.020 -0.628 412 3HG2 VAL 50 3HG2 VAL 50 -7.501 4.412 -0.240 413 H TYR 51 H TYR 51 -4.279 3.980 -3.658 414 HA TYR 51 HA TYR 51 -4.757 1.814 -5.581 415 1HB TYR 51 2HB TYR 51 -3.707 3.090 -7.373 416 2HB TYR 51 1HB TYR 51 -5.109 3.953 -6.753 417 HD1 TYR 51 1HD TYR 51 -1.405 3.833 -6.641 418 HD2 TYR 51 2HD TYR 51 -4.902 6.142 -5.905 419 HE1 TYR 51 1HE TYR 51 -0.008 5.824 -6.278 420 HE2 TYR 51 2HE TYR 51 -3.514 8.140 -5.543 421 HH TYR 51 HH TYR 51 -0.426 8.134 -4.854 422 H ALA 52 H ALA 52 -3.100 0.428 -5.813 423 HA ALA 52 HA ALA 52 -0.756 0.849 -4.144 424 1HB ALA 52 1HB ALA 52 -2.286 -1.378 -4.785 425 2HB ALA 52 2HB ALA 52 -0.763 -1.364 -3.897 426 3HB ALA 52 3HB ALA 52 -0.764 -1.627 -5.640 427 H GLU 53 H GLU 53 1.022 1.733 -4.935 428 HA GLU 53 HA GLU 53 1.484 1.697 -7.823 429 1HB GLU 53 2HB GLU 53 2.152 3.519 -5.625 430 2HB GLU 53 1HB GLU 53 3.482 3.249 -6.745 431 1HG GLU 53 2HG GLU 53 1.892 3.818 -8.603 432 2HG GLU 53 1HG GLU 53 0.746 4.324 -7.362 433 H GLU 54 H GLU 54 3.036 0.517 -8.746 434 HA GLU 54 HA GLU 54 4.747 -1.099 -7.012 435 1HB GLU 54 2HB GLU 54 3.321 -2.078 -8.893 436 2HB GLU 54 1HB GLU 54 4.475 -1.351 -10.002 437 1HG GLU 54 2HG GLU 54 6.261 -2.628 -8.705 438 2HG GLU 54 1HG GLU 54 4.925 -3.541 -8.009 439 H VAL 55 H VAL 55 6.888 -0.825 -6.851 440 HA VAL 55 HA VAL 55 8.127 1.231 -8.557 441 HB VAL 55 HB VAL 55 9.134 0.249 -5.888 442 1HG1 VAL 55 1HG1 VAL 55 10.158 2.702 -6.171 443 2HG1 VAL 55 2HG1 VAL 55 10.032 2.250 -7.871 444 3HG1 VAL 55 3HG1 VAL 55 10.969 1.252 -6.760 445 1HG2 VAL 55 1HG2 VAL 55 7.172 1.268 -5.241 446 2HG2 VAL 55 2HG2 VAL 55 7.199 2.412 -6.583 447 3HG2 VAL 55 3HG2 VAL 55 8.293 2.629 -5.217 448 H LYS 56 H LYS 56 8.710 -0.122 -10.269 449 HA LYS 56 HA LYS 56 11.123 -1.657 -9.796 450 1HB LYS 56 2HB LYS 56 8.676 -2.918 -11.047 451 2HB LYS 56 1HB LYS 56 10.278 -3.641 -11.012 452 1HG LYS 56 2HG LYS 56 10.083 -3.371 -8.448 453 2HG LYS 56 1HG LYS 56 8.355 -3.204 -8.769 454 1HD LYS 56 2HD LYS 56 8.137 -5.373 -9.475 455 2HD LYS 56 1HD LYS 56 9.813 -5.478 -10.018 456 1HE LYS 56 2HE LYS 56 10.597 -5.664 -7.760 457 2HE LYS 56 1HE LYS 56 8.985 -5.339 -7.125 458 1HZ LYS 56 1HZ LYS 56 9.758 -7.743 -7.192 459 2HZ LYS 56 2HZ LYS 56 9.521 -7.667 -8.865 460 3HZ LYS 56 3HZ LYS 56 8.219 -7.416 -7.816 461 HA PRO 57 HA PRO 57 12.072 0.152 -13.722 462 1HB PRO 57 2HB PRO 57 14.203 -1.342 -14.432 463 2HB PRO 57 1HB PRO 57 14.277 -0.155 -13.125 464 1HG PRO 57 2HG PRO 57 13.944 -3.127 -12.969 465 2HG PRO 57 1HG PRO 57 14.964 -2.063 -11.984 466 1HD PRO 57 2HD PRO 57 12.550 -3.000 -11.146 467 2HD PRO 57 1HD PRO 57 13.218 -1.440 -10.625 468 H ASP 58 H ASP 58 11.598 -0.128 -15.856 469 HA ASP 58 HA ASP 58 11.087 -2.840 -16.837 470 1HB ASP 58 2HB ASP 58 8.993 -1.377 -16.010 471 2HB ASP 58 1HB ASP 58 9.133 -0.756 -17.657 472 HA PRO 59 HA PRO 59 13.452 -1.001 -20.172 473 1HB PRO 59 2HB PRO 59 13.560 -3.193 -21.757 474 2HB PRO 59 1HB PRO 59 14.554 -3.018 -20.306 475 1HG PRO 59 2HG PRO 59 11.995 -4.527 -20.678 476 2HG PRO 59 1HG PRO 59 13.469 -5.019 -19.822 477 1HD PRO 59 2HD PRO 59 11.276 -4.068 -18.541 478 2HD PRO 59 1HD PRO 59 12.926 -3.816 -17.936 479 H SER 60 H SER 60 11.870 0.462 -20.914 480 HA SER 60 HA SER 60 10.406 -0.490 -23.266 481 1HB SER 60 2HB SER 60 9.243 0.753 -20.828 482 2HB SER 60 1HB SER 60 8.602 1.288 -22.380 483 HG SER 60 HG SER 60 8.073 -0.842 -22.857 484 H ASN 61 H ASN 61 12.684 0.689 -23.699 485 HA ASN 61 HA ASN 61 11.947 3.392 -24.577 486 1HB ASN 61 2HB ASN 61 14.145 2.633 -22.763 487 2HB ASN 61 1HB ASN 61 14.611 3.705 -24.080 488 1HD2 ASN 61 1HD2 ASN 61 11.992 3.328 -21.713 489 2HD2 ASN 61 2HD2 ASN 61 11.878 5.015 -21.321 490 H LYS 62 H LYS 62 11.779 2.942 -26.714 491 HA LYS 62 HA LYS 62 14.243 2.158 -28.080 492 1HB LYS 62 2HB LYS 62 12.107 0.392 -27.757 493 2HB LYS 62 1HB LYS 62 11.921 1.008 -29.393 494 1HG LYS 62 2HG LYS 62 13.560 -0.283 -30.127 495 2HG LYS 62 1HG LYS 62 14.669 0.350 -28.910 496 1HD LYS 62 2HD LYS 62 12.679 -1.533 -27.867 497 2HD LYS 62 1HD LYS 62 13.792 -2.232 -29.043 498 1HE LYS 62 2HE LYS 62 15.516 -2.157 -27.618 499 2HE LYS 62 1HE LYS 62 15.111 -0.529 -27.077 500 1HZ LYS 62 1HZ LYS 62 13.323 -2.622 -26.168 501 2HZ LYS 62 2HZ LYS 62 13.968 -1.305 -25.325 502 3HZ LYS 62 3HZ LYS 62 14.896 -2.702 -25.548 503 H LYS 63 H LYS 63 14.498 4.258 -28.811 504 HA LYS 63 HA LYS 63 12.651 5.038 -30.947 505 1HB LYS 63 2HB LYS 63 13.208 6.522 -28.469 506 2HB LYS 63 1HB LYS 63 13.364 7.478 -29.936 507 1HG LYS 63 2HG LYS 63 11.128 7.202 -30.502 508 2HG LYS 63 1HG LYS 63 10.937 5.796 -29.452 509 1HD LYS 63 2HD LYS 63 11.137 7.213 -27.487 510 2HD LYS 63 1HD LYS 63 11.403 8.626 -28.512 511 1HE LYS 63 2HE LYS 63 9.148 8.782 -27.973 512 2HE LYS 63 1HE LYS 63 9.129 8.015 -29.560 513 1HZ LYS 63 1HZ LYS 63 7.626 6.965 -27.929 514 2HZ LYS 63 2HZ LYS 63 8.967 6.534 -26.994 515 3HZ LYS 63 3HZ LYS 63 8.781 5.894 -28.548 516 H THR 64 H THR 64 13.884 4.938 -32.706 517 HA THR 64 HA THR 64 16.446 6.370 -32.685 518 HB THR 64 HB THR 64 17.473 4.597 -34.048 519 HG1 THR 64 1HG THR 64 15.045 3.220 -33.552 520 1HG2 THR 64 1HG2 THR 64 16.926 2.702 -32.120 521 2HG2 THR 64 2HG2 THR 64 16.696 4.240 -31.289 522 3HG2 THR 64 3HG2 THR 64 18.228 3.890 -32.090 523 H THR 65 H THR 65 16.017 8.041 -33.989 524 HA THR 65 HA THR 65 15.062 7.446 -36.696 525 HB THR 65 HB THR 65 13.101 8.257 -35.570 526 HG1 THR 65 1HG THR 65 12.750 10.182 -36.758 527 1HG2 THR 65 1HG2 THR 65 14.000 10.933 -34.921 528 2HG2 THR 65 2HG2 THR 65 14.794 9.695 -33.947 529 3HG2 THR 65 3HG2 THR 65 13.033 9.799 -33.978 530 H ALA 66 H ALA 66 17.532 7.612 -36.757 531 HA ALA 66 HA ALA 66 18.243 10.407 -37.353 532 1HB ALA 66 1HB ALA 66 19.649 8.438 -35.656 533 2HB ALA 66 2HB ALA 66 19.593 10.197 -35.547 534 3HB ALA 66 3HB ALA 66 20.652 9.419 -36.724
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