NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
11234 | 1r6p | 5975 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 -4.518 8.980 9.889 2 2H MET 1 2H MET 1 -4.941 10.448 10.633 3 3H MET 1 3H MET 1 -3.706 10.409 9.467 4 HA MET 1 HA MET 1 -6.574 9.820 8.960 5 1HB MET 1 2HB MET 1 -4.922 12.284 8.828 6 2HB MET 1 1HB MET 1 -5.961 11.985 7.434 7 1HG MET 1 2HG MET 1 -7.926 12.030 8.728 8 2HG MET 1 1HG MET 1 -7.050 11.744 10.233 9 1HE MET 1 1HE MET 1 -6.430 14.399 7.226 10 2HE MET 1 2HE MET 1 -7.557 15.599 7.852 11 3HE MET 1 3HE MET 1 -8.127 13.972 7.489 12 H ASN 2 H ASN 2 -6.482 8.137 7.579 13 HA ASN 2 HA ASN 2 -4.546 8.257 5.339 14 1HB ASN 2 2HB ASN 2 -5.977 5.847 6.493 15 2HB ASN 2 1HB ASN 2 -4.845 5.820 5.141 16 1HD2 ASN 2 1HD2 ASN 2 -5.027 6.749 8.616 17 2HD2 ASN 2 2HD2 ASN 2 -3.391 6.433 8.936 18 H ASP 3 H ASP 3 -7.244 9.557 5.626 19 HA ASP 3 HA ASP 3 -8.998 8.156 3.806 20 1HB ASP 3 2HB ASP 3 -10.441 10.130 4.005 21 2HB ASP 3 1HB ASP 3 -9.914 9.582 5.595 22 H ILE 4 H ILE 4 -6.335 10.302 3.443 23 HA ILE 4 HA ILE 4 -7.096 11.666 1.083 24 HB ILE 4 HB ILE 4 -4.671 12.075 0.758 25 1HG1 ILE 4 2HG1 ILE 4 -3.395 11.185 2.984 26 2HG1 ILE 4 1HG1 ILE 4 -4.516 9.849 2.728 27 1HG2 ILE 4 1HG2 ILE 4 -6.005 13.480 2.293 28 2HG2 ILE 4 2HG2 ILE 4 -4.341 13.319 2.852 29 3HG2 ILE 4 3HG2 ILE 4 -5.623 12.384 3.621 30 1HD1 ILE 4 1HD1 ILE 4 -2.987 10.919 0.381 31 2HD1 ILE 4 2HD1 ILE 4 -3.594 9.289 0.669 32 3HD1 ILE 4 3HD1 ILE 4 -2.162 9.859 1.524 33 H TYR 5 H TYR 5 -5.707 8.476 1.602 34 HA TYR 5 HA TYR 5 -4.893 7.977 -1.078 35 1HB TYR 5 2HB TYR 5 -5.767 5.951 1.001 36 2HB TYR 5 1HB TYR 5 -4.830 5.616 -0.454 37 HD1 TYR 5 HD1 TYR 5 -4.699 6.607 2.995 38 HD2 TYR 5 HD2 TYR 5 -2.545 6.802 -0.720 39 HE1 TYR 5 HE1 TYR 5 -2.621 7.139 4.230 40 HE2 TYR 5 HE2 TYR 5 -0.466 7.343 0.522 41 HH TYR 5 HH TYR 5 0.216 6.744 3.306 42 H LYS 6 H LYS 6 -7.928 7.479 0.667 43 HA LYS 6 HA LYS 6 -9.219 6.199 -1.604 44 1HB LYS 6 2HB LYS 6 -10.096 6.965 1.167 45 2HB LYS 6 1HB LYS 6 -11.283 6.516 -0.057 46 1HG LYS 6 2HG LYS 6 -10.648 4.322 -0.063 47 2HG LYS 6 1HG LYS 6 -8.944 4.708 0.171 48 1HD LYS 6 2HD LYS 6 -10.918 5.157 2.401 49 2HD LYS 6 1HD LYS 6 -10.244 3.551 2.120 50 1HE LYS 6 2HE LYS 6 -8.423 5.943 2.303 51 2HE LYS 6 1HE LYS 6 -9.009 5.159 3.769 52 1HZ LYS 6 1HZ LYS 6 -8.162 3.038 2.854 53 2HZ LYS 6 2HZ LYS 6 -6.940 4.178 3.155 54 3HZ LYS 6 3HZ LYS 6 -7.470 3.898 1.565 55 H ALA 7 H ALA 7 -9.067 9.395 -0.134 56 HA ALA 7 HA ALA 7 -11.318 10.537 -1.414 57 1HB ALA 7 1HB ALA 7 -10.394 12.672 -0.792 58 2HB ALA 7 2HB ALA 7 -8.786 11.975 -0.596 59 3HB ALA 7 3HB ALA 7 -10.078 11.542 0.524 60 H ALA 8 H ALA 8 -7.941 10.147 -2.426 61 HA ALA 8 HA ALA 8 -8.158 11.806 -4.753 62 1HB ALA 8 1HB ALA 8 -5.980 11.309 -3.718 63 2HB ALA 8 2HB ALA 8 -6.014 10.817 -5.411 64 3HB ALA 8 3HB ALA 8 -6.173 9.606 -4.137 65 H VAL 9 H VAL 9 -8.351 8.298 -4.184 66 HA VAL 9 HA VAL 9 -8.685 7.604 -6.929 67 HB VAL 9 HB VAL 9 -7.953 6.043 -5.083 68 1HG1 VAL 9 1HG1 VAL 9 -9.590 6.564 -3.391 69 2HG1 VAL 9 2HG1 VAL 9 -9.813 4.882 -3.866 70 3HG1 VAL 9 3HG1 VAL 9 -10.916 6.120 -4.463 71 1HG2 VAL 9 1HG2 VAL 9 -10.341 5.071 -6.680 72 2HG2 VAL 9 2HG2 VAL 9 -8.978 4.107 -6.111 73 3HG2 VAL 9 3HG2 VAL 9 -8.737 5.317 -7.371 74 H GLU 10 H GLU 10 -10.838 8.870 -4.529 75 HA GLU 10 HA GLU 10 -13.264 7.996 -5.846 76 1HB GLU 10 2HB GLU 10 -12.656 9.744 -3.481 77 2HB GLU 10 1HB GLU 10 -14.268 9.746 -4.197 78 1HG GLU 10 2HG GLU 10 -14.482 7.351 -3.854 79 2HG GLU 10 1HG GLU 10 -12.814 7.243 -3.292 80 H GLN 11 H GLN 11 -11.079 10.691 -6.102 81 HA GLN 11 HA GLN 11 -12.943 11.938 -8.030 82 1HB GLN 11 2HB GLN 11 -12.302 14.171 -7.272 83 2HB GLN 11 1HB GLN 11 -13.006 13.257 -5.941 84 1HG GLN 11 2HG GLN 11 -10.393 12.596 -5.628 85 2HG GLN 11 1HG GLN 11 -10.219 14.206 -6.321 86 1HE2 GLN 11 1HE2 GLN 11 -9.606 15.309 -4.376 87 2HE2 GLN 11 2HE2 GLN 11 -10.641 15.454 -3.038 88 H LEU 12 H LEU 12 -10.722 10.135 -8.473 89 HA LEU 12 HA LEU 12 -8.452 11.673 -9.373 90 1HB LEU 12 2HB LEU 12 -8.015 9.420 -10.664 91 2HB LEU 12 1HB LEU 12 -7.724 9.560 -8.948 92 HG LEU 12 HG LEU 12 -9.785 8.386 -8.456 93 1HD1 LEU 12 1HD1 LEU 12 -10.994 7.377 -10.541 94 2HD1 LEU 12 2HD1 LEU 12 -10.239 8.712 -11.413 95 3HD1 LEU 12 3HD1 LEU 12 -11.344 9.043 -10.078 96 1HD2 LEU 12 1HD2 LEU 12 -7.868 6.971 -8.877 97 2HD2 LEU 12 2HD2 LEU 12 -8.114 7.081 -10.620 98 3HD2 LEU 12 3HD2 LEU 12 -9.275 6.210 -9.619 99 H THR 13 H THR 13 -7.686 11.299 -11.726 100 HA THR 13 HA THR 13 -9.837 12.277 -13.472 101 HB THR 13 HB THR 13 -7.591 12.404 -15.007 102 HG1 THR 13 HG1 THR 13 -6.134 11.784 -13.529 103 1HG2 THR 13 1HG2 THR 13 -9.015 14.257 -13.178 104 2HG2 THR 13 2HG2 THR 13 -8.718 14.384 -14.913 105 3HG2 THR 13 3HG2 THR 13 -7.440 14.790 -13.767 106 H ASP 14 H ASP 14 -9.794 11.573 -15.757 107 HA ASP 14 HA ASP 14 -10.070 8.738 -15.961 108 1HB ASP 14 2HB ASP 14 -11.318 10.489 -17.330 109 2HB ASP 14 1HB ASP 14 -9.838 10.674 -18.269 110 H GLU 15 H GLU 15 -7.517 11.036 -16.693 111 HA GLU 15 HA GLU 15 -5.896 9.461 -18.369 112 1HB GLU 15 2HB GLU 15 -5.271 11.683 -16.428 113 2HB GLU 15 1HB GLU 15 -3.999 10.873 -17.343 114 1HG GLU 15 2HG GLU 15 -6.447 12.068 -18.664 115 2HG GLU 15 1HG GLU 15 -4.959 12.981 -18.416 116 H GLN 16 H GLN 16 -6.261 9.539 -14.854 117 HA GLN 16 HA GLN 16 -4.011 7.850 -14.278 118 1HB GLN 16 2HB GLN 16 -6.250 9.040 -12.764 119 2HB GLN 16 1HB GLN 16 -5.688 7.485 -12.149 120 1HG GLN 16 2HG GLN 16 -3.299 8.603 -12.526 121 2HG GLN 16 1HG GLN 16 -4.232 10.088 -12.335 122 1HE2 GLN 16 1HE2 GLN 16 -5.317 10.448 -10.250 123 2HE2 GLN 16 2HE2 GLN 16 -4.875 9.556 -8.874 124 H LYS 17 H LYS 17 -7.476 7.335 -14.779 125 HA LYS 17 HA LYS 17 -7.519 4.558 -14.164 126 1HB LYS 17 2HB LYS 17 -9.380 6.143 -15.952 127 2HB LYS 17 1HB LYS 17 -9.696 4.535 -15.305 128 1HG LYS 17 2HG LYS 17 -9.231 7.028 -13.638 129 2HG LYS 17 1HG LYS 17 -10.802 6.294 -13.956 130 1HD LYS 17 2HD LYS 17 -8.942 4.303 -12.984 131 2HD LYS 17 1HD LYS 17 -9.030 5.660 -11.864 132 1HE LYS 17 2HE LYS 17 -11.310 5.359 -11.466 133 2HE LYS 17 1HE LYS 17 -11.568 4.517 -12.994 134 1HZ LYS 17 1HZ LYS 17 -9.932 3.395 -10.789 135 2HZ LYS 17 2HZ LYS 17 -10.516 2.591 -12.167 136 3HZ LYS 17 3HZ LYS 17 -11.592 3.091 -10.952 137 H ASN 18 H ASN 18 -6.307 6.269 -16.894 138 HA ASN 18 HA ASN 18 -6.414 3.831 -18.560 139 1HB ASN 18 2HB ASN 18 -6.191 6.755 -19.223 140 2HB ASN 18 1HB ASN 18 -5.646 5.532 -20.371 141 1HD2 ASN 18 1HD2 ASN 18 -8.266 7.401 -19.816 142 2HD2 ASN 18 2HD2 ASN 18 -9.503 6.355 -20.321 143 H GLU 19 H GLU 19 -4.258 6.145 -17.033 144 HA GLU 19 HA GLU 19 -1.859 5.556 -18.366 145 1HB GLU 19 2HB GLU 19 -2.276 7.407 -16.656 146 2HB GLU 19 1HB GLU 19 -2.043 6.177 -15.414 147 1HG GLU 19 2HG GLU 19 0.193 5.684 -16.284 148 2HG GLU 19 1HG GLU 19 -0.037 6.850 -17.588 149 H PHE 20 H PHE 20 -3.095 4.202 -15.300 150 HA PHE 20 HA PHE 20 -1.059 2.160 -15.220 151 1HB PHE 20 2HB PHE 20 -3.451 2.834 -13.544 152 2HB PHE 20 1HB PHE 20 -2.672 1.264 -13.366 153 HD1 PHE 20 HD1 PHE 20 -2.249 4.912 -12.998 154 HD2 PHE 20 HD2 PHE 20 -0.411 1.068 -12.481 155 HE1 PHE 20 HE1 PHE 20 -0.483 5.940 -11.602 156 HE2 PHE 20 HE2 PHE 20 1.350 2.089 -11.079 157 HZ PHE 20 HZ PHE 20 1.320 4.533 -10.640 158 H LYS 21 H LYS 21 -4.495 2.316 -16.115 159 HA LYS 21 HA LYS 21 -5.033 -0.420 -16.326 160 1HB LYS 21 2HB LYS 21 -6.777 1.287 -16.482 161 2HB LYS 21 1HB LYS 21 -6.129 1.828 -18.026 162 1HG LYS 21 2HG LYS 21 -6.570 -1.041 -18.053 163 2HG LYS 21 1HG LYS 21 -8.048 -0.190 -17.608 164 1HD LYS 21 2HD LYS 21 -7.306 1.389 -19.634 165 2HD LYS 21 1HD LYS 21 -6.500 -0.089 -20.161 166 1HE LYS 21 2HE LYS 21 -9.318 -0.349 -19.223 167 2HE LYS 21 1HE LYS 21 -9.060 0.438 -20.779 168 1HZ LYS 21 1HZ LYS 21 -9.338 -1.971 -20.987 169 2HZ LYS 21 2HZ LYS 21 -7.970 -2.218 -20.011 170 3HZ LYS 21 3HZ LYS 21 -7.812 -1.467 -21.528 171 H ALA 22 H ALA 22 -3.312 1.717 -18.546 172 HA ALA 22 HA ALA 22 -3.340 0.101 -20.852 173 1HB ALA 22 1HB ALA 22 -1.437 1.367 -21.598 174 2HB ALA 22 2HB ALA 22 -1.020 1.819 -19.945 175 3HB ALA 22 3HB ALA 22 -2.473 2.475 -20.697 176 H ALA 23 H ALA 23 -0.850 0.338 -18.302 177 HA ALA 23 HA ALA 23 0.649 -1.918 -19.197 178 1HB ALA 23 1HB ALA 23 1.684 -0.199 -17.791 179 2HB ALA 23 2HB ALA 23 1.763 -1.766 -16.987 180 3HB ALA 23 3HB ALA 23 0.566 -0.576 -16.480 181 H PHE 24 H PHE 24 -1.969 -1.424 -16.896 182 HA PHE 24 HA PHE 24 -1.951 -3.903 -15.584 183 1HB PHE 24 2HB PHE 24 -3.356 -1.823 -15.053 184 2HB PHE 24 1HB PHE 24 -4.465 -2.388 -16.300 185 HD1 PHE 24 HD1 PHE 24 -5.407 -4.772 -16.086 186 HD2 PHE 24 HD2 PHE 24 -3.431 -2.726 -12.871 187 HE1 PHE 24 HE1 PHE 24 -6.437 -6.331 -14.460 188 HE2 PHE 24 HE2 PHE 24 -4.458 -4.286 -11.248 189 HZ PHE 24 HZ PHE 24 -5.962 -6.085 -12.042 190 H ASP 25 H ASP 25 -3.526 -2.902 -18.620 191 HA ASP 25 HA ASP 25 -4.933 -5.323 -19.072 192 1HB ASP 25 2HB ASP 25 -5.145 -2.966 -20.221 193 2HB ASP 25 1HB ASP 25 -3.981 -3.644 -21.360 194 H ILE 26 H ILE 26 -1.766 -4.187 -20.282 195 HA ILE 26 HA ILE 26 -1.270 -6.471 -21.897 196 HB ILE 26 HB ILE 26 1.110 -5.728 -21.884 197 1HG1 ILE 26 2HG1 ILE 26 0.083 -3.530 -20.060 198 2HG1 ILE 26 1HG1 ILE 26 1.097 -4.868 -19.527 199 1HG2 ILE 26 1HG2 ILE 26 0.697 -3.799 -23.193 200 2HG2 ILE 26 2HG2 ILE 26 -0.716 -3.350 -22.237 201 3HG2 ILE 26 3HG2 ILE 26 -0.792 -4.737 -23.323 202 1HD1 ILE 26 1HD1 ILE 26 1.871 -2.407 -20.832 203 2HD1 ILE 26 2HD1 ILE 26 2.394 -3.797 -21.785 204 3HD1 ILE 26 3HD1 ILE 26 2.893 -3.643 -20.100 205 H PHE 27 H PHE 27 -0.477 -5.748 -18.509 206 HA PHE 27 HA PHE 27 1.068 -8.168 -18.174 207 1HB PHE 27 2HB PHE 27 -0.020 -6.185 -16.162 208 2HB PHE 27 1HB PHE 27 0.974 -7.577 -15.732 209 HD1 PHE 27 HD1 PHE 27 1.211 -4.205 -16.144 210 HD2 PHE 27 HD2 PHE 27 3.061 -7.785 -17.634 211 HE1 PHE 27 HE1 PHE 27 3.245 -2.916 -16.729 212 HE2 PHE 27 HE2 PHE 27 5.092 -6.493 -18.214 213 HZ PHE 27 HZ PHE 27 5.184 -4.057 -17.764 214 H ILE 28 H ILE 28 -2.287 -7.212 -17.691 215 HA ILE 28 HA ILE 28 -2.891 -9.843 -16.513 216 HB ILE 28 HB ILE 28 -3.680 -7.467 -15.617 217 1HG1 ILE 28 2HG1 ILE 28 -4.128 -9.774 -14.701 218 2HG1 ILE 28 1HG1 ILE 28 -5.394 -8.589 -14.391 219 1HG2 ILE 28 1HG2 ILE 28 -4.898 -7.156 -17.927 220 2HG2 ILE 28 2HG2 ILE 28 -5.674 -6.626 -16.436 221 3HG2 ILE 28 3HG2 ILE 28 -6.146 -8.152 -17.176 222 1HD1 ILE 28 1HD1 ILE 28 -6.621 -9.471 -16.395 223 2HD1 ILE 28 2HD1 ILE 28 -6.432 -10.663 -15.109 224 3HD1 ILE 28 3HD1 ILE 28 -5.394 -10.730 -16.533 225 H GLN 29 H GLN 29 -2.148 -9.637 -19.242 226 HA GLN 29 HA GLN 29 -4.500 -9.740 -20.911 227 1HB GLN 29 2HB GLN 29 -2.224 -9.005 -21.710 228 2HB GLN 29 1HB GLN 29 -1.700 -10.682 -21.568 229 1HG GLN 29 2HG GLN 29 -2.355 -10.435 -23.837 230 2HG GLN 29 1HG GLN 29 -3.699 -11.270 -23.059 231 1HE2 GLN 29 1HE2 GLN 29 -2.634 -7.881 -23.758 232 2HE2 GLN 29 2HE2 GLN 29 -4.200 -7.308 -24.073 233 H ASP 30 H ASP 30 -2.062 -12.123 -19.851 234 HA ASP 30 HA ASP 30 -3.710 -14.338 -20.764 235 1HB ASP 30 2HB ASP 30 -1.014 -14.202 -19.407 236 2HB ASP 30 1HB ASP 30 -1.823 -15.721 -19.793 237 H ALA 31 H ALA 31 -3.845 -12.430 -18.041 238 HA ALA 31 HA ALA 31 -4.476 -14.641 -16.208 239 1HB ALA 31 1HB ALA 31 -3.269 -13.175 -14.923 240 2HB ALA 31 2HB ALA 31 -4.871 -12.478 -14.681 241 3HB ALA 31 3HB ALA 31 -3.768 -11.770 -15.864 242 H GLU 32 H GLU 32 -6.468 -14.707 -15.091 243 HA GLU 32 HA GLU 32 -8.672 -13.149 -16.298 244 1HB GLU 32 2HB GLU 32 -8.573 -16.140 -15.856 245 2HB GLU 32 1HB GLU 32 -10.073 -15.255 -16.133 246 1HG GLU 32 2HG GLU 32 -9.155 -14.399 -18.276 247 2HG GLU 32 1HG GLU 32 -7.687 -15.341 -18.007 248 H ASP 33 H ASP 33 -7.359 -12.566 -13.887 249 HA ASP 33 HA ASP 33 -9.401 -13.297 -11.866 250 1HB ASP 33 2HB ASP 33 -6.499 -12.553 -11.413 251 2HB ASP 33 1HB ASP 33 -7.673 -12.930 -10.153 252 H GLY 34 H GLY 34 -7.334 -10.714 -13.144 253 1HA GLY 34 2HA GLY 34 -8.229 -8.485 -13.443 254 2HA GLY 34 1HA GLY 34 -9.187 -8.723 -11.984 255 H CYS 35 H CYS 35 -5.769 -9.515 -12.474 256 HA CYS 35 HA CYS 35 -4.806 -7.223 -11.002 257 1HB CYS 35 2HB CYS 35 -3.752 -8.656 -9.208 258 2HB CYS 35 1HB CYS 35 -5.501 -8.488 -9.087 259 HG CYS 35 HG CYS 35 -4.057 -11.060 -10.122 260 H ILE 36 H ILE 36 -2.587 -6.949 -11.211 261 HA ILE 36 HA ILE 36 -1.337 -8.588 -13.282 262 HB ILE 36 HB ILE 36 0.378 -6.908 -13.403 263 1HG1 ILE 36 2HG1 ILE 36 -0.246 -4.899 -11.596 264 2HG1 ILE 36 1HG1 ILE 36 -0.480 -6.366 -10.644 265 1HG2 ILE 36 1HG2 ILE 36 -2.276 -5.529 -12.904 266 2HG2 ILE 36 2HG2 ILE 36 -1.825 -6.338 -14.405 267 3HG2 ILE 36 3HG2 ILE 36 -0.942 -4.906 -13.874 268 1HD1 ILE 36 1HD1 ILE 36 2.006 -5.759 -12.275 269 2HD1 ILE 36 2HD1 ILE 36 1.765 -7.142 -11.207 270 3HD1 ILE 36 3HD1 ILE 36 1.867 -5.516 -10.533 271 H SER 37 H SER 37 1.119 -9.008 -12.908 272 HA SER 37 HA SER 37 1.302 -10.550 -10.426 273 1HB SER 37 2HB SER 37 2.054 -11.177 -12.969 274 2HB SER 37 1HB SER 37 3.580 -10.604 -12.304 275 HG SER 37 HG SER 37 3.242 -12.066 -10.556 276 H THR 38 H THR 38 2.052 -9.513 -8.705 277 HA THR 38 HA THR 38 3.442 -7.108 -8.595 278 HB THR 38 HB THR 38 4.130 -7.778 -6.307 279 HG1 THR 38 HG1 THR 38 3.945 -9.809 -5.656 280 1HG2 THR 38 1HG2 THR 38 1.306 -8.412 -7.175 281 2HG2 THR 38 2HG2 THR 38 1.915 -6.892 -6.525 282 3HG2 THR 38 3HG2 THR 38 1.788 -8.308 -5.483 283 H LYS 39 H LYS 39 4.741 -10.421 -8.682 284 HA LYS 39 HA LYS 39 7.474 -9.739 -8.410 285 1HB LYS 39 2HB LYS 39 7.959 -11.961 -9.299 286 2HB LYS 39 1HB LYS 39 6.636 -12.047 -8.139 287 1HG LYS 39 2HG LYS 39 5.256 -11.623 -10.462 288 2HG LYS 39 1HG LYS 39 6.627 -12.560 -11.054 289 1HD LYS 39 2HD LYS 39 5.088 -13.435 -8.611 290 2HD LYS 39 1HD LYS 39 4.542 -13.864 -10.232 291 1HE LYS 39 2HE LYS 39 6.956 -14.709 -10.615 292 2HE LYS 39 1HE LYS 39 7.118 -14.632 -8.861 293 1HZ LYS 39 1HZ LYS 39 5.097 -16.035 -8.718 294 2HZ LYS 39 2HZ LYS 39 6.415 -16.813 -9.457 295 3HZ LYS 39 3HZ LYS 39 5.138 -16.214 -10.404 296 H GLU 40 H GLU 40 5.302 -9.608 -11.151 297 HA GLU 40 HA GLU 40 7.537 -9.125 -13.005 298 1HB GLU 40 2HB GLU 40 4.577 -9.505 -13.516 299 2HB GLU 40 1HB GLU 40 5.787 -9.219 -14.767 300 1HG GLU 40 2HG GLU 40 7.016 -11.262 -13.908 301 2HG GLU 40 1HG GLU 40 5.611 -11.591 -12.893 302 H LEU 41 H LEU 41 6.289 -7.226 -10.843 303 HA LEU 41 HA LEU 41 5.141 -5.067 -12.325 304 1HB LEU 41 2HB LEU 41 4.958 -5.569 -9.800 305 2HB LEU 41 1HB LEU 41 6.501 -4.753 -9.672 306 HG LEU 41 HG LEU 41 4.416 -3.270 -11.157 307 1HD1 LEU 41 1HD1 LEU 41 4.099 -2.984 -8.249 308 2HD1 LEU 41 2HD1 LEU 41 3.561 -4.548 -8.865 309 3HD1 LEU 41 3HD1 LEU 41 2.871 -3.060 -9.514 310 1HD2 LEU 41 1HD2 LEU 41 6.221 -1.912 -10.768 311 2HD2 LEU 41 2HD2 LEU 41 6.703 -2.791 -9.317 312 3HD2 LEU 41 3HD2 LEU 41 5.385 -1.620 -9.243 313 H GLY 42 H GLY 42 8.354 -6.189 -12.029 314 1HA GLY 42 2HA GLY 42 9.866 -3.825 -12.032 315 2HA GLY 42 1HA GLY 42 10.359 -5.342 -12.785 316 H LYS 43 H LYS 43 8.129 -5.502 -14.615 317 HA LYS 43 HA LYS 43 9.143 -3.873 -16.761 318 1HB LYS 43 2HB LYS 43 6.644 -5.592 -16.656 319 2HB LYS 43 1HB LYS 43 7.381 -4.924 -18.112 320 1HG LYS 43 2HG LYS 43 9.030 -6.629 -16.261 321 2HG LYS 43 1HG LYS 43 7.931 -7.394 -17.408 322 1HD LYS 43 2HD LYS 43 9.744 -5.241 -18.425 323 2HD LYS 43 1HD LYS 43 10.444 -6.823 -18.084 324 1HE LYS 43 2HE LYS 43 8.553 -7.819 -19.478 325 2HE LYS 43 1HE LYS 43 8.192 -6.173 -19.996 326 1HZ LYS 43 1HZ LYS 43 10.441 -5.965 -20.829 327 2HZ LYS 43 2HZ LYS 43 9.673 -7.301 -21.543 328 3HZ LYS 43 3HZ LYS 43 10.814 -7.535 -20.306 329 H VAL 44 H VAL 44 6.620 -3.578 -14.398 330 HA VAL 44 HA VAL 44 5.021 -1.645 -15.808 331 HB VAL 44 HB VAL 44 5.106 -2.105 -12.817 332 1HG1 VAL 44 1HG1 VAL 44 2.817 -1.261 -14.605 333 2HG1 VAL 44 2HG1 VAL 44 3.892 -0.108 -13.814 334 3HG1 VAL 44 3HG1 VAL 44 2.897 -1.192 -12.845 335 1HG2 VAL 44 1HG2 VAL 44 3.707 -3.947 -13.013 336 2HG2 VAL 44 2HG2 VAL 44 4.718 -4.176 -14.439 337 3HG2 VAL 44 3HG2 VAL 44 3.113 -3.460 -14.598 338 H MET 45 H MET 45 7.269 -1.512 -13.042 339 HA MET 45 HA MET 45 7.271 1.250 -12.658 340 1HB MET 45 2HB MET 45 8.642 -0.909 -11.557 341 2HB MET 45 1HB MET 45 9.915 0.090 -12.257 342 1HG MET 45 2HG MET 45 9.681 1.076 -10.161 343 2HG MET 45 1HG MET 45 8.575 2.060 -11.119 344 1HE MET 45 1HE MET 45 7.509 2.750 -8.695 345 2HE MET 45 2HE MET 45 5.857 2.142 -8.722 346 3HE MET 45 3HE MET 45 6.585 2.755 -10.204 347 H ARG 46 H ARG 46 9.257 -0.744 -14.836 348 HA ARG 46 HA ARG 46 10.960 1.317 -15.768 349 1HB ARG 46 2HB ARG 46 10.015 -1.236 -17.077 350 2HB ARG 46 1HB ARG 46 11.190 -0.152 -17.823 351 1HG ARG 46 2HG ARG 46 12.636 -0.360 -15.827 352 2HG ARG 46 1HG ARG 46 11.471 -1.476 -15.114 353 1HD ARG 46 2HD ARG 46 13.189 -2.814 -16.132 354 2HD ARG 46 1HD ARG 46 11.760 -2.941 -17.149 355 HE ARG 46 HE ARG 46 13.468 -0.822 -18.036 356 1HH1 ARG 46 2HH1 ARG 46 13.103 -4.296 -18.003 357 2HH1 ARG 46 1HH1 ARG 46 13.996 -4.528 -19.466 358 1HH2 ARG 46 1HH2 ARG 46 14.637 -1.151 -19.951 359 2HH2 ARG 46 2HH2 ARG 46 14.863 -2.754 -20.568 360 H MET 47 H MET 47 7.742 0.287 -16.752 361 HA MET 47 HA MET 47 7.601 2.017 -19.058 362 1HB MET 47 2HB MET 47 5.560 0.406 -17.530 363 2HB MET 47 1HB MET 47 5.095 1.487 -18.842 364 1HG MET 47 2HG MET 47 7.232 -0.624 -19.185 365 2HG MET 47 1HG MET 47 5.528 -0.957 -19.484 366 1HE MET 47 1HE MET 47 8.703 0.494 -20.364 367 2HE MET 47 2HE MET 47 8.581 1.048 -22.033 368 3HE MET 47 3HE MET 47 8.403 -0.666 -21.665 369 H LEU 48 H LEU 48 6.755 2.241 -15.652 370 HA LEU 48 HA LEU 48 5.163 4.616 -15.853 371 1HB LEU 48 2HB LEU 48 6.379 3.026 -13.653 372 2HB LEU 48 1HB LEU 48 5.962 4.688 -13.307 373 HG LEU 48 HG LEU 48 3.665 4.292 -13.542 374 1HD1 LEU 48 1HD1 LEU 48 4.558 2.057 -15.311 375 2HD1 LEU 48 2HD1 LEU 48 3.274 3.237 -15.557 376 3HD1 LEU 48 3HD1 LEU 48 3.017 1.870 -14.474 377 1HD2 LEU 48 1HD2 LEU 48 3.405 1.862 -12.453 378 2HD2 LEU 48 2HD2 LEU 48 4.076 3.213 -11.537 379 3HD2 LEU 48 3HD2 LEU 48 5.154 2.027 -12.273 380 H GLY 49 H GLY 49 8.588 3.939 -15.493 381 1HA GLY 49 2HA GLY 49 9.980 5.820 -16.458 382 2HA GLY 49 1HA GLY 49 9.137 6.849 -15.311 383 H GLN 50 H GLN 50 9.910 3.683 -14.135 384 HA GLN 50 HA GLN 50 12.375 4.674 -12.844 385 1HB GLN 50 2HB GLN 50 10.163 3.161 -11.431 386 2HB GLN 50 1HB GLN 50 11.680 3.704 -10.714 387 1HG GLN 50 2HG GLN 50 10.801 5.736 -10.309 388 2HG GLN 50 1HG GLN 50 10.402 5.927 -12.016 389 1HE2 GLN 50 1HE2 GLN 50 8.228 5.412 -12.707 390 2HE2 GLN 50 2HE2 GLN 50 6.984 5.108 -11.593 391 H ASN 51 H ASN 51 13.969 3.154 -12.531 392 HA ASN 51 HA ASN 51 13.364 0.401 -13.446 393 1HB ASN 51 2HB ASN 51 15.687 0.316 -14.370 394 2HB ASN 51 1HB ASN 51 14.638 1.459 -15.200 395 1HD2 ASN 51 1HD2 ASN 51 17.385 1.838 -15.451 396 2HD2 ASN 51 2HD2 ASN 51 17.874 3.192 -14.552 397 HA PRO 52 HA PRO 52 15.303 0.203 -9.252 398 1HB PRO 52 2HB PRO 52 13.283 -1.192 -8.049 399 2HB PRO 52 1HB PRO 52 13.316 0.573 -8.172 400 1HG PRO 52 2HG PRO 52 11.660 -1.383 -9.640 401 2HG PRO 52 1HG PRO 52 11.338 0.318 -9.277 402 1HD PRO 52 2HD PRO 52 12.246 -0.751 -11.757 403 2HD PRO 52 1HD PRO 52 12.122 0.968 -11.317 404 H THR 53 H THR 53 14.897 -2.112 -7.763 405 HA THR 53 HA THR 53 15.959 -4.225 -9.546 406 HB THR 53 HB THR 53 17.323 -4.966 -7.793 407 HG1 THR 53 HG1 THR 53 16.717 -4.928 -5.767 408 1HG2 THR 53 1HG2 THR 53 18.060 -2.738 -8.494 409 2HG2 THR 53 2HG2 THR 53 18.381 -2.985 -6.778 410 3HG2 THR 53 3HG2 THR 53 17.009 -2.001 -7.284 411 HA PRO 54 HA PRO 54 12.603 -6.870 -8.439 412 1HB PRO 54 2HB PRO 54 13.786 -9.263 -7.814 413 2HB PRO 54 1HB PRO 54 13.618 -8.637 -9.461 414 1HG PRO 54 2HG PRO 54 16.021 -8.728 -7.714 415 2HG PRO 54 1HG PRO 54 15.903 -8.830 -9.478 416 1HD PRO 54 2HD PRO 54 16.666 -6.557 -8.051 417 2HD PRO 54 1HD PRO 54 16.084 -6.555 -9.732 418 H GLU 55 H GLU 55 15.178 -6.653 -6.067 419 HA GLU 55 HA GLU 55 13.598 -7.716 -3.880 420 1HB GLU 55 2HB GLU 55 16.350 -6.591 -4.187 421 2HB GLU 55 1HB GLU 55 15.615 -6.564 -2.585 422 1HG GLU 55 2HG GLU 55 15.600 -9.082 -4.247 423 2HG GLU 55 1HG GLU 55 16.999 -8.659 -3.260 424 H GLU 56 H GLU 56 14.480 -4.558 -5.200 425 HA GLU 56 HA GLU 56 13.402 -3.066 -2.975 426 1HB GLU 56 2HB GLU 56 14.498 -2.345 -5.676 427 2HB GLU 56 1HB GLU 56 13.637 -1.143 -4.715 428 1HG GLU 56 2HG GLU 56 15.184 -1.704 -2.792 429 2HG GLU 56 1HG GLU 56 16.121 -2.684 -3.921 430 H LEU 57 H LEU 57 12.337 -3.747 -6.326 431 HA LEU 57 HA LEU 57 9.972 -2.223 -6.221 432 1HB LEU 57 2HB LEU 57 9.275 -3.366 -8.179 433 2HB LEU 57 1HB LEU 57 10.995 -3.098 -8.300 434 HG LEU 57 HG LEU 57 11.109 -5.582 -7.369 435 1HD1 LEU 57 1HD1 LEU 57 8.285 -5.184 -8.215 436 2HD1 LEU 57 2HD1 LEU 57 8.955 -6.318 -7.042 437 3HD1 LEU 57 3HD1 LEU 57 9.063 -6.667 -8.768 438 1HD2 LEU 57 1HD2 LEU 57 10.275 -4.999 -10.226 439 2HD2 LEU 57 2HD2 LEU 57 11.281 -6.335 -9.669 440 3HD2 LEU 57 3HD2 LEU 57 11.890 -4.682 -9.594 441 H GLN 58 H GLN 58 10.641 -5.549 -5.208 442 HA GLN 58 HA GLN 58 7.952 -6.363 -4.839 443 1HB GLN 58 2HB GLN 58 10.004 -7.863 -4.853 444 2HB GLN 58 1HB GLN 58 10.303 -7.323 -3.201 445 1HG GLN 58 2HG GLN 58 9.049 -9.391 -3.093 446 2HG GLN 58 1HG GLN 58 7.979 -8.079 -2.604 447 1HE2 GLN 58 1HE2 GLN 58 6.096 -7.708 -3.876 448 2HE2 GLN 58 2HE2 GLN 58 5.727 -8.594 -5.275 449 H GLU 59 H GLU 59 10.213 -4.603 -2.772 450 HA GLU 59 HA GLU 59 8.773 -4.768 -0.348 451 1HB GLU 59 2HB GLU 59 10.650 -2.622 -1.366 452 2HB GLU 59 1HB GLU 59 10.034 -2.700 0.285 453 1HG GLU 59 2HG GLU 59 11.458 -5.040 -0.988 454 2HG GLU 59 1HG GLU 59 12.339 -3.766 -0.148 455 H MET 60 H MET 60 8.795 -2.180 -2.828 456 HA MET 60 HA MET 60 6.818 -0.597 -1.564 457 1HB MET 60 2HB MET 60 6.606 0.575 -3.716 458 2HB MET 60 1HB MET 60 8.295 0.348 -3.269 459 1HG MET 60 2HG MET 60 8.592 -1.402 -4.846 460 2HG MET 60 1HG MET 60 6.854 -1.607 -5.066 461 1HE MET 60 1HE MET 60 9.880 0.560 -5.359 462 2HE MET 60 2HE MET 60 9.704 1.401 -6.897 463 3HE MET 60 3HE MET 60 9.890 -0.350 -6.876 464 H ILE 61 H ILE 61 6.581 -3.381 -3.671 465 HA ILE 61 HA ILE 61 3.838 -3.012 -4.407 466 HB ILE 61 HB ILE 61 5.548 -5.512 -4.340 467 1HG1 ILE 61 2HG1 ILE 61 4.564 -4.015 -6.765 468 2HG1 ILE 61 1HG1 ILE 61 6.038 -3.507 -5.935 469 1HG2 ILE 61 1HG2 ILE 61 3.566 -6.596 -4.535 470 2HG2 ILE 61 2HG2 ILE 61 3.486 -5.896 -6.151 471 3HG2 ILE 61 3HG2 ILE 61 2.679 -5.095 -4.805 472 1HD1 ILE 61 1HD1 ILE 61 5.583 -6.362 -6.818 473 2HD1 ILE 61 2HD1 ILE 61 7.099 -5.606 -6.332 474 3HD1 ILE 61 3HD1 ILE 61 6.344 -5.163 -7.862 475 H ASP 62 H ASP 62 5.461 -5.056 -1.966 476 HA ASP 62 HA ASP 62 3.122 -6.139 -0.824 477 1HB ASP 62 2HB ASP 62 5.936 -5.760 0.139 478 2HB ASP 62 1HB ASP 62 4.693 -6.268 1.283 479 H GLU 63 H GLU 63 4.773 -3.075 -0.336 480 HA GLU 63 HA GLU 63 3.455 -2.304 2.066 481 1HB GLU 63 2HB GLU 63 4.933 -0.811 -0.086 482 2HB GLU 63 1HB GLU 63 4.077 0.064 1.184 483 1HG GLU 63 2HG GLU 63 5.416 -0.873 2.896 484 2HG GLU 63 1HG GLU 63 6.009 -2.160 1.845 485 H VAL 64 H VAL 64 2.826 -1.515 -1.370 486 HA VAL 64 HA VAL 64 0.437 -0.032 -0.784 487 HB VAL 64 HB VAL 64 1.781 0.412 -2.811 488 1HG1 VAL 64 1HG1 VAL 64 2.417 -1.913 -3.324 489 2HG1 VAL 64 2HG1 VAL 64 1.654 -1.145 -4.715 490 3HG1 VAL 64 3HG1 VAL 64 0.741 -2.287 -3.727 491 1HG2 VAL 64 1HG2 VAL 64 -0.793 0.764 -2.600 492 2HG2 VAL 64 2HG2 VAL 64 -0.912 -0.593 -3.720 493 3HG2 VAL 64 3HG2 VAL 64 -0.061 0.876 -4.201 494 H ASP 65 H ASP 65 1.138 -3.402 -1.500 495 HA ASP 65 HA ASP 65 -1.589 -4.128 -2.083 496 1HB ASP 65 2HB ASP 65 0.907 -5.368 -2.358 497 2HB ASP 65 1HB ASP 65 0.066 -6.324 -1.144 498 H GLU 66 H GLU 66 -2.979 -3.647 -0.464 499 HA GLU 66 HA GLU 66 -2.491 -3.740 2.289 500 1HB GLU 66 2HB GLU 66 -4.958 -3.802 2.560 501 2HB GLU 66 1HB GLU 66 -4.430 -2.576 1.410 502 1HG GLU 66 2HG GLU 66 -4.942 -4.116 -0.462 503 2HG GLU 66 1HG GLU 66 -5.486 -5.331 0.694 504 H ASP 67 H ASP 67 -3.661 -6.278 0.119 505 HA ASP 67 HA ASP 67 -3.942 -8.149 2.347 506 1HB ASP 67 2HB ASP 67 -4.577 -9.759 0.435 507 2HB ASP 67 1HB ASP 67 -5.691 -8.448 0.810 508 H GLY 68 H GLY 68 -1.845 -7.582 -0.444 509 1HA GLY 68 2HA GLY 68 0.307 -8.320 -0.861 510 2HA GLY 68 1HA GLY 68 0.325 -9.022 0.755 511 H SER 69 H SER 69 -1.756 -9.588 -2.073 512 HA SER 69 HA SER 69 -1.511 -12.468 -1.711 513 1HB SER 69 2HB SER 69 -3.227 -12.585 -3.496 514 2HB SER 69 1HB SER 69 -3.722 -11.552 -2.158 515 HG SER 69 HG SER 69 -3.919 -10.043 -3.600 516 H GLY 70 H GLY 70 0.501 -10.349 -3.157 517 1HA GLY 70 2HA GLY 70 2.244 -10.706 -4.635 518 2HA GLY 70 1HA GLY 70 1.620 -12.327 -4.927 519 H THR 71 H THR 71 -0.636 -9.730 -5.215 520 HA THR 71 HA THR 71 -0.256 -9.450 -8.102 521 HB THR 71 HB THR 71 -2.513 -10.076 -8.661 522 HG1 THR 71 HG1 THR 71 -4.027 -10.311 -7.191 523 1HG2 THR 71 1HG2 THR 71 -2.524 -12.466 -8.028 524 2HG2 THR 71 2HG2 THR 71 -1.308 -12.140 -6.791 525 3HG2 THR 71 3HG2 THR 71 -0.908 -11.938 -8.498 526 H VAL 72 H VAL 72 -0.774 -7.443 -8.803 527 HA VAL 72 HA VAL 72 -1.885 -5.582 -6.807 528 HB VAL 72 HB VAL 72 -0.716 -4.759 -9.457 529 1HG1 VAL 72 1HG1 VAL 72 -0.380 -2.662 -8.354 530 2HG1 VAL 72 2HG1 VAL 72 -0.709 -3.366 -6.770 531 3HG1 VAL 72 3HG1 VAL 72 -2.015 -3.178 -7.941 532 1HG2 VAL 72 1HG2 VAL 72 0.986 -6.173 -8.384 533 2HG2 VAL 72 2HG2 VAL 72 0.782 -5.289 -6.869 534 3HG2 VAL 72 3HG2 VAL 72 1.456 -4.474 -8.281 535 H ASP 73 H ASP 73 -3.965 -5.122 -6.925 536 HA ASP 73 HA ASP 73 -5.502 -5.639 -9.347 537 1HB ASP 73 2HB ASP 73 -6.278 -4.553 -6.624 538 2HB ASP 73 1HB ASP 73 -7.420 -4.778 -7.949 539 H PHE 74 H PHE 74 -7.036 -3.823 -10.111 540 HA PHE 74 HA PHE 74 -5.479 -1.630 -10.950 541 1HB PHE 74 2HB PHE 74 -7.664 -2.515 -11.991 542 2HB PHE 74 1HB PHE 74 -8.483 -1.480 -10.819 543 HD1 PHE 74 HD1 PHE 74 -5.321 -1.079 -12.777 544 HD2 PHE 74 HD2 PHE 74 -9.240 0.449 -11.922 545 HE1 PHE 74 HE1 PHE 74 -4.887 0.869 -14.249 546 HE2 PHE 74 HE2 PHE 74 -8.798 2.406 -13.385 547 HZ PHE 74 HZ PHE 74 -6.620 2.611 -14.549 548 H ASP 75 H ASP 75 -7.552 -2.058 -8.137 549 HA ASP 75 HA ASP 75 -7.649 0.701 -7.384 550 1HB ASP 75 2HB ASP 75 -9.076 -1.350 -6.527 551 2HB ASP 75 1HB ASP 75 -7.778 -1.490 -5.341 552 H GLU 76 H GLU 76 -5.540 -2.038 -6.555 553 HA GLU 76 HA GLU 76 -3.886 -0.548 -4.731 554 1HB GLU 76 2HB GLU 76 -3.232 -3.118 -6.202 555 2HB GLU 76 1HB GLU 76 -2.402 -2.481 -4.783 556 1HG GLU 76 2HG GLU 76 -4.465 -2.701 -3.457 557 2HG GLU 76 1HG GLU 76 -5.323 -3.303 -4.875 558 H PHE 77 H PHE 77 -3.963 -1.118 -8.174 559 HA PHE 77 HA PHE 77 -1.294 -0.403 -8.820 560 1HB PHE 77 2HB PHE 77 -3.351 -1.487 -10.208 561 2HB PHE 77 1HB PHE 77 -3.473 0.173 -10.758 562 HD1 PHE 77 HD1 PHE 77 -2.976 -0.738 -13.013 563 HD2 PHE 77 HD2 PHE 77 -0.109 -0.942 -9.814 564 HE1 PHE 77 HE1 PHE 77 -1.174 -1.145 -14.647 565 HE2 PHE 77 HE2 PHE 77 1.690 -1.339 -11.462 566 HZ PHE 77 HZ PHE 77 1.157 -1.449 -13.881 567 H LEU 78 H LEU 78 -4.352 1.436 -8.964 568 HA LEU 78 HA LEU 78 -3.097 3.903 -9.694 569 1HB LEU 78 2HB LEU 78 -5.831 3.078 -8.840 570 2HB LEU 78 1HB LEU 78 -5.412 4.780 -8.759 571 HG LEU 78 HG LEU 78 -5.055 4.882 -11.129 572 1HD1 LEU 78 1HD1 LEU 78 -5.080 2.950 -12.573 573 2HD1 LEU 78 2HD1 LEU 78 -5.542 1.894 -11.239 574 3HD1 LEU 78 3HD1 LEU 78 -3.938 2.625 -11.272 575 1HD2 LEU 78 1HD2 LEU 78 -7.253 4.471 -11.904 576 2HD2 LEU 78 2HD2 LEU 78 -7.449 4.715 -10.169 577 3HD2 LEU 78 3HD2 LEU 78 -7.461 3.083 -10.837 578 H VAL 79 H VAL 79 -3.841 2.348 -6.643 579 HA VAL 79 HA VAL 79 -3.722 4.586 -4.931 580 HB VAL 79 HB VAL 79 -3.384 1.638 -4.610 581 1HG1 VAL 79 1HG1 VAL 79 -1.482 2.478 -3.323 582 2HG1 VAL 79 2HG1 VAL 79 -2.751 1.929 -2.224 583 3HG1 VAL 79 3HG1 VAL 79 -2.520 3.656 -2.514 584 1HG2 VAL 79 1HG2 VAL 79 -5.249 1.871 -3.198 585 2HG2 VAL 79 2HG2 VAL 79 -5.531 3.107 -4.423 586 3HG2 VAL 79 3HG2 VAL 79 -4.889 3.561 -2.844 587 H MET 80 H MET 80 -1.193 2.338 -6.036 588 HA MET 80 HA MET 80 1.026 3.252 -4.705 589 1HB MET 80 2HB MET 80 0.564 1.597 -6.904 590 2HB MET 80 1HB MET 80 1.653 2.842 -7.513 591 1HG MET 80 2HG MET 80 3.291 2.369 -5.851 592 2HG MET 80 1HG MET 80 2.155 1.412 -4.899 593 1HE MET 80 1HE MET 80 4.280 0.428 -8.789 594 2HE MET 80 2HE MET 80 3.858 1.995 -8.102 595 3HE MET 80 3HE MET 80 2.650 1.083 -9.003 596 H MET 81 H MET 81 -0.641 4.831 -7.402 597 HA MET 81 HA MET 81 1.389 6.719 -8.041 598 1HB MET 81 2HB MET 81 -0.500 6.291 -9.558 599 2HB MET 81 1HB MET 81 -1.616 6.961 -8.370 600 1HG MET 81 2HG MET 81 -1.146 9.076 -9.000 601 2HG MET 81 1HG MET 81 0.590 8.789 -8.891 602 1HE MET 81 1HE MET 81 1.499 7.135 -12.198 603 2HE MET 81 2HE MET 81 1.469 6.814 -10.466 604 3HE MET 81 3HE MET 81 2.161 8.321 -11.063 605 H VAL 82 H VAL 82 -1.610 7.116 -6.122 606 HA VAL 82 HA VAL 82 -0.949 9.702 -5.155 607 HB VAL 82 HB VAL 82 -2.720 9.305 -3.448 608 1HG1 VAL 82 1HG1 VAL 82 -3.218 8.672 -6.357 609 2HG1 VAL 82 2HG1 VAL 82 -3.499 10.187 -5.498 610 3HG1 VAL 82 3HG1 VAL 82 -4.545 8.798 -5.203 611 1HG2 VAL 82 1HG2 VAL 82 -2.998 6.590 -4.772 612 2HG2 VAL 82 2HG2 VAL 82 -3.939 7.215 -3.417 613 3HG2 VAL 82 3HG2 VAL 82 -2.230 6.839 -3.204 614 H ARG 83 H ARG 83 -0.201 6.465 -4.004 615 HA ARG 83 HA ARG 83 0.604 7.065 -1.371 616 1HB ARG 83 2HB ARG 83 1.559 4.936 -3.299 617 2HB ARG 83 1HB ARG 83 2.082 5.024 -1.617 618 1HG ARG 83 2HG ARG 83 -0.624 5.216 -1.316 619 2HG ARG 83 1HG ARG 83 -0.522 4.184 -2.743 620 1HD ARG 83 2HD ARG 83 -0.368 2.563 -1.116 621 2HD ARG 83 1HD ARG 83 1.338 2.959 -1.282 622 HE ARG 83 HE ARG 83 1.283 3.895 0.847 623 1HH1 ARG 83 2HH1 ARG 83 -1.970 3.400 -0.331 624 2HH1 ARG 83 1HH1 ARG 83 -2.709 3.751 1.193 625 1HH2 ARG 83 1HH2 ARG 83 0.289 4.350 2.835 626 2HH2 ARG 83 2HH2 ARG 83 -1.436 4.287 2.980 627 H CYS 84 H CYS 84 2.323 7.258 -4.459 628 HA CYS 84 HA CYS 84 4.868 7.915 -3.273 629 1HB CYS 84 2HB CYS 84 3.822 8.037 -6.104 630 2HB CYS 84 1HB CYS 84 5.448 8.559 -5.667 631 HG CYS 84 HG CYS 84 4.427 5.624 -5.288 632 H MET 85 H MET 85 2.225 9.739 -4.793 633 HA MET 85 HA MET 85 3.496 12.272 -4.790 634 1HB MET 85 2HB MET 85 1.142 11.337 -5.792 635 2HB MET 85 1HB MET 85 0.567 12.254 -4.400 636 1HG MET 85 2HG MET 85 0.648 13.935 -5.995 637 2HG MET 85 1HG MET 85 2.266 14.074 -5.308 638 1HE MET 85 1HE MET 85 4.064 14.492 -6.667 639 2HE MET 85 2HE MET 85 2.883 15.397 -7.611 640 3HE MET 85 3HE MET 85 4.075 14.394 -8.433 641 H LYS 86 H LYS 86 1.139 10.844 -2.512 642 HA LYS 86 HA LYS 86 2.278 12.513 -0.368 643 1HB LYS 86 2HB LYS 86 0.235 13.642 -1.303 644 2HB LYS 86 1HB LYS 86 -0.700 12.231 -0.811 645 1HG LYS 86 2HG LYS 86 1.052 13.398 1.279 646 2HG LYS 86 1HG LYS 86 -0.316 14.396 0.784 647 1HD LYS 86 2HD LYS 86 -1.806 12.391 1.124 648 2HD LYS 86 1HD LYS 86 -0.421 11.546 1.816 649 1HE LYS 86 2HE LYS 86 -1.466 14.200 2.846 650 2HE LYS 86 1HE LYS 86 -1.908 12.638 3.531 651 1HZ LYS 86 1HZ LYS 86 0.565 12.254 3.773 652 2HZ LYS 86 2HZ LYS 86 -0.124 13.408 4.813 653 3HZ LYS 86 3HZ LYS 86 0.765 13.908 3.455 654 H ASP 87 H ASP 87 2.460 11.487 1.535 655 HA ASP 87 HA ASP 87 0.793 9.410 2.469 656 1HB ASP 87 2HB ASP 87 2.184 7.451 2.233 657 2HB ASP 87 1HB ASP 87 1.913 8.130 0.633 658 H ASP 88 H ASP 88 4.056 10.800 2.516 659 HA ASP 88 HA ASP 88 4.136 10.392 5.447 660 1HB ASP 88 2HB ASP 88 6.190 10.228 3.340 661 2HB ASP 88 1HB ASP 88 6.680 11.146 4.763 662 H SER 89 HN SER 89 5.290 12.687 2.957 663 HA SER 89 HA SER 89 4.794 14.890 4.873 664 1HB SER 89 2HB SER 89 7.172 14.560 4.093 665 2HB SER 89 1HB SER 89 6.627 14.956 2.466 666 HG SER 89 HG SER 89 7.376 16.642 4.260 Start of MODEL 2 1 1H MET 1 1H MET 1 -1.082 10.421 9.155 2 2H MET 1 2H MET 1 -1.925 8.957 9.334 3 3H MET 1 3H MET 1 -2.139 10.207 10.464 4 HA MET 1 HA MET 1 -4.022 10.052 8.935 5 1HB MET 1 2HB MET 1 -2.243 12.456 9.079 6 2HB MET 1 1HB MET 1 -3.630 12.514 7.991 7 1HG MET 1 2HG MET 1 -5.172 12.322 9.727 8 2HG MET 1 1HG MET 1 -4.019 11.531 10.800 9 1HE MET 1 1HE MET 1 -5.059 13.201 12.672 10 2HE MET 1 2HE MET 1 -3.752 14.270 13.173 11 3HE MET 1 3HE MET 1 -3.402 12.590 12.773 12 H ASN 2 H ASN 2 -4.612 9.339 6.999 13 HA ASN 2 HA ASN 2 -2.851 9.834 4.676 14 1HB ASN 2 2HB ASN 2 -3.348 7.555 3.845 15 2HB ASN 2 1HB ASN 2 -2.474 7.520 5.376 16 1HD2 ASN 2 1HD2 ASN 2 -3.855 7.155 7.382 17 2HD2 ASN 2 2HD2 ASN 2 -5.276 6.242 7.227 18 H ASP 3 H ASP 3 -5.127 11.333 5.456 19 HA ASP 3 HA ASP 3 -7.501 10.534 4.118 20 1HB ASP 3 2HB ASP 3 -6.478 13.174 5.133 21 2HB ASP 3 1HB ASP 3 -7.985 13.073 4.224 22 H ILE 4 H ILE 4 -4.618 12.226 3.057 23 HA ILE 4 HA ILE 4 -5.649 13.307 0.650 24 HB ILE 4 HB ILE 4 -3.296 13.481 -0.078 25 1HG1 ILE 4 2HG1 ILE 4 -1.752 12.743 2.053 26 2HG1 ILE 4 1HG1 ILE 4 -2.966 11.466 2.070 27 1HG2 ILE 4 1HG2 ILE 4 -3.628 14.188 2.851 28 2HG2 ILE 4 2HG2 ILE 4 -4.327 15.117 1.525 29 3HG2 ILE 4 3HG2 ILE 4 -2.576 14.985 1.680 30 1HD1 ILE 4 1HD1 ILE 4 -0.838 11.140 0.595 31 2HD1 ILE 4 2HD1 ILE 4 -1.635 12.258 -0.512 32 3HD1 ILE 4 3HD1 ILE 4 -2.413 10.731 -0.089 33 H TYR 5 H TYR 5 -4.365 10.132 1.460 34 HA TYR 5 HA TYR 5 -4.022 9.139 -1.173 35 1HB TYR 5 2HB TYR 5 -4.553 7.771 1.468 36 2HB TYR 5 1HB TYR 5 -4.367 6.868 -0.034 37 HD1 TYR 5 HD1 TYR 5 -2.219 6.601 -1.083 38 HD2 TYR 5 HD2 TYR 5 -2.674 9.178 2.326 39 HE1 TYR 5 HE1 TYR 5 0.247 6.771 -0.880 40 HE2 TYR 5 HE2 TYR 5 -0.211 9.347 2.528 41 HH TYR 5 HH TYR 5 1.852 7.465 1.534 42 H LYS 6 H LYS 6 -6.793 9.272 1.007 43 HA LYS 6 HA LYS 6 -8.513 7.788 -0.811 44 1HB LYS 6 2HB LYS 6 -8.888 9.073 1.878 45 2HB LYS 6 1HB LYS 6 -10.287 8.588 0.921 46 1HG LYS 6 2HG LYS 6 -9.924 6.619 2.076 47 2HG LYS 6 1HG LYS 6 -8.884 6.329 0.681 48 1HD LYS 6 2HD LYS 6 -6.967 7.292 1.983 49 2HD LYS 6 1HD LYS 6 -8.027 7.394 3.389 50 1HE LYS 6 2HE LYS 6 -7.988 4.759 2.041 51 2HE LYS 6 1HE LYS 6 -6.473 5.226 2.812 52 1HZ LYS 6 1HZ LYS 6 -7.919 4.050 4.346 53 2HZ LYS 6 2HZ LYS 6 -9.143 5.206 4.115 54 3HZ LYS 6 3HZ LYS 6 -7.680 5.648 4.859 55 H ALA 7 H ALA 7 -7.749 11.124 -0.104 56 HA ALA 7 HA ALA 7 -10.104 12.277 -1.254 57 1HB ALA 7 1HB ALA 7 -8.825 13.601 0.295 58 2HB ALA 7 2HB ALA 7 -8.721 14.377 -1.285 59 3HB ALA 7 3HB ALA 7 -7.366 13.424 -0.679 60 H ALA 8 H ALA 8 -6.878 11.460 -2.489 61 HA ALA 8 HA ALA 8 -7.218 12.719 -5.038 62 1HB ALA 8 1HB ALA 8 -5.214 11.496 -5.701 63 2HB ALA 8 2HB ALA 8 -5.348 10.459 -4.279 64 3HB ALA 8 3HB ALA 8 -4.987 12.176 -4.090 65 H VAL 9 H VAL 9 -7.590 9.381 -3.867 66 HA VAL 9 HA VAL 9 -8.273 8.277 -6.401 67 HB VAL 9 HB VAL 9 -7.473 6.994 -4.369 68 1HG1 VAL 9 1HG1 VAL 9 -8.992 8.024 -2.727 69 2HG1 VAL 9 2HG1 VAL 9 -9.186 6.272 -2.758 70 3HG1 VAL 9 3HG1 VAL 9 -10.375 7.305 -3.549 71 1HG2 VAL 9 1HG2 VAL 9 -10.070 5.878 -5.426 72 2HG2 VAL 9 2HG2 VAL 9 -8.573 5.020 -5.060 73 3HG2 VAL 9 3HG2 VAL 9 -8.667 6.064 -6.478 74 H GLU 10 H GLU 10 -10.065 10.093 -4.047 75 HA GLU 10 HA GLU 10 -12.674 9.240 -4.973 76 1HB GLU 10 2HB GLU 10 -11.653 11.176 -2.941 77 2HB GLU 10 1HB GLU 10 -13.290 11.397 -3.559 78 1HG GLU 10 2HG GLU 10 -12.452 8.646 -2.720 79 2HG GLU 10 1HG GLU 10 -12.828 9.827 -1.465 80 H GLN 11 H GLN 11 -10.327 11.599 -5.931 81 HA GLN 11 HA GLN 11 -12.320 12.802 -7.749 82 1HB GLN 11 2HB GLN 11 -11.347 14.988 -7.461 83 2HB GLN 11 1HB GLN 11 -11.737 14.354 -5.864 84 1HG GLN 11 2HG GLN 11 -9.282 13.480 -5.857 85 2HG GLN 11 1HG GLN 11 -9.032 14.628 -7.170 86 1HE2 GLN 11 1HE2 GLN 11 -8.075 14.641 -4.244 87 2HE2 GLN 11 2HE2 GLN 11 -8.553 16.165 -3.667 88 H LEU 12 H LEU 12 -10.381 10.616 -8.164 89 HA LEU 12 HA LEU 12 -8.099 11.500 -9.573 90 1HB LEU 12 2HB LEU 12 -8.403 9.207 -10.781 91 2HB LEU 12 1HB LEU 12 -7.925 9.274 -9.103 92 HG LEU 12 HG LEU 12 -10.043 8.535 -8.361 93 1HD1 LEU 12 1HD1 LEU 12 -11.601 9.848 -9.561 94 2HD1 LEU 12 2HD1 LEU 12 -11.917 8.201 -10.106 95 3HD1 LEU 12 3HD1 LEU 12 -10.987 9.300 -11.123 96 1HD2 LEU 12 1HD2 LEU 12 -9.347 7.130 -10.955 97 2HD2 LEU 12 2HD2 LEU 12 -10.430 6.474 -9.726 98 3HD2 LEU 12 3HD2 LEU 12 -8.727 6.743 -9.349 99 H THR 13 H THR 13 -7.721 11.131 -11.933 100 HA THR 13 HA THR 13 -9.912 12.367 -13.469 101 HB THR 13 HB THR 13 -7.794 12.342 -15.182 102 HG1 THR 13 HG1 THR 13 -6.204 11.678 -13.935 103 1HG2 THR 13 1HG2 THR 13 -8.096 14.563 -15.035 104 2HG2 THR 13 2HG2 THR 13 -7.615 14.594 -13.338 105 3HG2 THR 13 3HG2 THR 13 -9.282 14.218 -13.775 106 H ASP 14 H ASP 14 -10.076 11.687 -15.779 107 HA ASP 14 HA ASP 14 -10.563 8.868 -15.957 108 1HB ASP 14 2HB ASP 14 -10.673 11.137 -17.941 109 2HB ASP 14 1HB ASP 14 -10.915 9.464 -18.444 110 H GLU 15 H GLU 15 -7.987 11.044 -16.943 111 HA GLU 15 HA GLU 15 -6.610 9.207 -18.654 112 1HB GLU 15 2HB GLU 15 -5.819 11.765 -17.272 113 2HB GLU 15 1HB GLU 15 -4.641 10.804 -18.168 114 1HG GLU 15 2HG GLU 15 -5.637 11.228 -20.210 115 2HG GLU 15 1HG GLU 15 -7.244 11.414 -19.507 116 H GLN 16 H GLN 16 -6.744 9.677 -15.198 117 HA GLN 16 HA GLN 16 -4.273 8.388 -14.552 118 1HB GLN 16 2HB GLN 16 -6.325 9.711 -13.118 119 2HB GLN 16 1HB GLN 16 -6.232 8.075 -12.466 120 1HG GLN 16 2HG GLN 16 -3.886 8.306 -11.997 121 2HG GLN 16 1HG GLN 16 -3.795 9.821 -12.896 122 1HE2 GLN 16 1HE2 GLN 16 -6.161 8.684 -10.421 123 2HE2 GLN 16 2HE2 GLN 16 -5.932 10.010 -9.386 124 H LYS 17 H LYS 17 -7.682 7.341 -14.634 125 HA LYS 17 HA LYS 17 -7.329 4.675 -13.849 126 1HB LYS 17 2HB LYS 17 -9.320 5.831 -15.825 127 2HB LYS 17 1HB LYS 17 -9.414 4.210 -15.141 128 1HG LYS 17 2HG LYS 17 -9.446 6.786 -13.538 129 2HG LYS 17 1HG LYS 17 -10.859 5.802 -13.914 130 1HD LYS 17 2HD LYS 17 -9.031 3.986 -12.847 131 2HD LYS 17 1HD LYS 17 -8.851 5.424 -11.843 132 1HE LYS 17 2HE LYS 17 -11.277 5.475 -11.448 133 2HE LYS 17 1HE LYS 17 -11.488 4.071 -12.495 134 1HZ LYS 17 1HZ LYS 17 -10.030 2.820 -10.980 135 2HZ LYS 17 2HZ LYS 17 -11.446 3.368 -10.219 136 3HZ LYS 17 3HZ LYS 17 -9.970 4.162 -9.944 137 H ASN 18 H ASN 18 -7.254 6.151 -17.090 138 HA ASN 18 HA ASN 18 -6.671 3.719 -18.472 139 1HB ASN 18 2HB ASN 18 -6.625 6.628 -19.180 140 2HB ASN 18 1HB ASN 18 -5.822 5.477 -20.250 141 1HD2 ASN 18 1HD2 ASN 18 -8.989 6.200 -18.729 142 2HD2 ASN 18 2HD2 ASN 18 -9.907 5.369 -19.890 143 H GLU 19 H GLU 19 -4.683 6.166 -16.921 144 HA GLU 19 HA GLU 19 -2.201 5.713 -18.085 145 1HB GLU 19 2HB GLU 19 -2.772 7.441 -16.310 146 2HB GLU 19 1HB GLU 19 -2.605 6.151 -15.119 147 1HG GLU 19 2HG GLU 19 -0.443 6.959 -15.113 148 2HG GLU 19 1HG GLU 19 -0.304 5.754 -16.392 149 H PHE 20 H PHE 20 -3.631 4.062 -15.266 150 HA PHE 20 HA PHE 20 -1.494 2.075 -15.270 151 1HB PHE 20 2HB PHE 20 -3.789 2.712 -13.453 152 2HB PHE 20 1HB PHE 20 -3.016 1.131 -13.365 153 HD1 PHE 20 HD1 PHE 20 -2.604 4.735 -12.798 154 HD2 PHE 20 HD2 PHE 20 -0.652 0.913 -12.712 155 HE1 PHE 20 HE1 PHE 20 -0.760 5.702 -11.458 156 HE2 PHE 20 HE2 PHE 20 1.187 1.874 -11.367 157 HZ PHE 20 HZ PHE 20 1.138 4.275 -10.740 158 H LYS 21 H LYS 21 -5.026 2.186 -15.816 159 HA LYS 21 HA LYS 21 -5.536 -0.526 -16.088 160 1HB LYS 21 2HB LYS 21 -7.222 1.367 -16.136 161 2HB LYS 21 1HB LYS 21 -6.828 1.558 -17.840 162 1HG LYS 21 2HG LYS 21 -8.637 0.081 -17.936 163 2HG LYS 21 1HG LYS 21 -7.270 -1.031 -17.943 164 1HD LYS 21 2HD LYS 21 -7.616 -1.696 -15.747 165 2HD LYS 21 1HD LYS 21 -8.422 -0.189 -15.310 166 1HE LYS 21 2HE LYS 21 -10.422 -0.820 -16.479 167 2HE LYS 21 1HE LYS 21 -9.620 -2.201 -17.229 168 1HZ LYS 21 1HZ LYS 21 -11.017 -2.822 -15.325 169 2HZ LYS 21 2HZ LYS 21 -10.045 -1.871 -14.307 170 3HZ LYS 21 3HZ LYS 21 -9.388 -3.230 -15.086 171 H ALA 22 H ALA 22 -4.101 1.670 -18.467 172 HA ALA 22 HA ALA 22 -4.282 0.008 -20.739 173 1HB ALA 22 1HB ALA 22 -2.129 2.003 -19.987 174 2HB ALA 22 2HB ALA 22 -3.578 2.338 -20.937 175 3HB ALA 22 3HB ALA 22 -2.322 1.285 -21.586 176 H ALA 23 H ALA 23 -1.616 0.398 -18.404 177 HA ALA 23 HA ALA 23 -0.044 -1.753 -19.428 178 1HB ALA 23 1HB ALA 23 -0.025 -0.223 -16.826 179 2HB ALA 23 2HB ALA 23 1.136 -0.141 -18.152 180 3HB ALA 23 3HB ALA 23 1.072 -1.571 -17.122 181 H PHE 24 H PHE 24 -2.532 -1.437 -16.966 182 HA PHE 24 HA PHE 24 -2.247 -3.910 -15.661 183 1HB PHE 24 2HB PHE 24 -3.758 -1.929 -15.031 184 2HB PHE 24 1HB PHE 24 -4.906 -2.580 -16.198 185 HD1 PHE 24 HD1 PHE 24 -5.717 -4.978 -15.914 186 HD2 PHE 24 HD2 PHE 24 -3.541 -2.881 -12.867 187 HE1 PHE 24 HE1 PHE 24 -6.508 -6.607 -14.225 188 HE2 PHE 24 HE2 PHE 24 -4.332 -4.504 -11.180 189 HZ PHE 24 HZ PHE 24 -5.821 -6.361 -11.853 190 H ASP 25 H ASP 25 -4.176 -2.989 -18.512 191 HA ASP 25 HA ASP 25 -5.428 -5.481 -18.927 192 1HB ASP 25 2HB ASP 25 -4.970 -3.038 -20.540 193 2HB ASP 25 1HB ASP 25 -5.326 -4.514 -21.438 194 H ILE 26 H ILE 26 -2.325 -4.227 -20.142 195 HA ILE 26 HA ILE 26 -1.862 -6.520 -21.819 196 HB ILE 26 HB ILE 26 0.447 -5.606 -22.066 197 1HG1 ILE 26 2HG1 ILE 26 -0.594 -3.366 -20.300 198 2HG1 ILE 26 1HG1 ILE 26 0.566 -4.583 -19.775 199 1HG2 ILE 26 1HG2 ILE 26 -1.322 -4.904 -23.584 200 2HG2 ILE 26 2HG2 ILE 26 -0.302 -3.515 -23.211 201 3HG2 ILE 26 3HG2 ILE 26 -1.874 -3.689 -22.431 202 1HD1 ILE 26 1HD1 ILE 26 2.280 -3.617 -20.911 203 2HD1 ILE 26 2HD1 ILE 26 1.254 -2.182 -20.889 204 3HD1 ILE 26 3HD1 ILE 26 1.268 -3.234 -22.305 205 H PHE 27 H PHE 27 -0.780 -5.546 -18.566 206 HA PHE 27 HA PHE 27 1.042 -7.722 -18.249 207 1HB PHE 27 2HB PHE 27 -0.294 -5.878 -16.268 208 2HB PHE 27 1HB PHE 27 0.777 -7.185 -15.760 209 HD1 PHE 27 HD1 PHE 27 2.952 -7.292 -17.560 210 HD2 PHE 27 HD2 PHE 27 0.792 -3.815 -16.264 211 HE1 PHE 27 HE1 PHE 27 4.907 -5.874 -18.106 212 HE2 PHE 27 HE2 PHE 27 2.747 -2.399 -16.815 213 HZ PHE 27 HZ PHE 27 4.807 -3.426 -17.733 214 H ILE 28 H ILE 28 -2.420 -7.332 -17.559 215 HA ILE 28 HA ILE 28 -2.516 -10.012 -16.360 216 HB ILE 28 HB ILE 28 -4.798 -9.559 -15.772 217 1HG1 ILE 28 2HG1 ILE 28 -5.528 -7.051 -16.481 218 2HG1 ILE 28 1HG1 ILE 28 -4.543 -7.474 -17.883 219 1HG2 ILE 28 1HG2 ILE 28 -2.789 -8.317 -14.623 220 2HG2 ILE 28 2HG2 ILE 28 -4.446 -7.872 -14.213 221 3HG2 ILE 28 3HG2 ILE 28 -3.520 -6.881 -15.336 222 1HD1 ILE 28 1HD1 ILE 28 -6.521 -9.489 -16.899 223 2HD1 ILE 28 2HD1 ILE 28 -5.961 -9.177 -18.543 224 3HD1 ILE 28 3HD1 ILE 28 -7.131 -8.093 -17.789 225 H GLN 29 H GLN 29 -2.416 -8.923 -19.442 226 HA GLN 29 HA GLN 29 -4.554 -9.977 -20.844 227 1HB GLN 29 2HB GLN 29 -2.805 -8.689 -21.945 228 2HB GLN 29 1HB GLN 29 -1.626 -9.960 -21.622 229 1HG GLN 29 2HG GLN 29 -2.602 -11.437 -23.159 230 2HG GLN 29 1HG GLN 29 -4.149 -10.587 -23.141 231 1HE2 GLN 29 1HE2 GLN 29 -4.102 -8.306 -24.126 232 2HE2 GLN 29 2HE2 GLN 29 -3.042 -8.031 -25.422 233 H ASP 30 H ASP 30 -1.676 -11.660 -19.626 234 HA ASP 30 HA ASP 30 -2.793 -14.233 -20.544 235 1HB ASP 30 2HB ASP 30 -0.023 -13.365 -19.737 236 2HB ASP 30 1HB ASP 30 -0.464 -15.071 -19.822 237 H ALA 31 H ALA 31 -3.759 -12.696 -18.161 238 HA ALA 31 HA ALA 31 -2.994 -14.494 -15.960 239 1HB ALA 31 1HB ALA 31 -3.933 -12.893 -14.469 240 2HB ALA 31 2HB ALA 31 -4.772 -12.059 -15.776 241 3HB ALA 31 3HB ALA 31 -3.015 -11.965 -15.654 242 H GLU 32 H GLU 32 -4.679 -15.381 -14.604 243 HA GLU 32 HA GLU 32 -7.204 -15.895 -16.068 244 1HB GLU 32 2HB GLU 32 -7.217 -18.142 -14.953 245 2HB GLU 32 1HB GLU 32 -5.904 -17.927 -16.107 246 1HG GLU 32 2HG GLU 32 -4.350 -18.246 -14.505 247 2HG GLU 32 1HG GLU 32 -5.093 -17.029 -13.467 248 H ASP 33 H ASP 33 -6.700 -13.793 -14.129 249 HA ASP 33 HA ASP 33 -8.816 -14.470 -12.215 250 1HB ASP 33 2HB ASP 33 -6.074 -13.486 -11.402 251 2HB ASP 33 1HB ASP 33 -7.485 -13.437 -10.345 252 H GLY 34 H GLY 34 -6.541 -11.956 -13.308 253 1HA GLY 34 2HA GLY 34 -7.544 -9.965 -14.394 254 2HA GLY 34 1HA GLY 34 -8.728 -9.965 -13.090 255 H CYS 35 H CYS 35 -5.244 -10.546 -12.834 256 HA CYS 35 HA CYS 35 -4.785 -7.929 -11.603 257 1HB CYS 35 2HB CYS 35 -3.957 -10.449 -10.154 258 2HB CYS 35 1HB CYS 35 -3.901 -8.790 -9.562 259 HG CYS 35 HG CYS 35 -6.077 -10.240 -8.725 260 H ILE 36 H ILE 36 -2.581 -7.313 -11.630 261 HA ILE 36 HA ILE 36 -1.015 -8.713 -13.642 262 HB ILE 36 HB ILE 36 0.415 -6.858 -13.720 263 1HG1 ILE 36 2HG1 ILE 36 -0.132 -5.112 -11.642 264 2HG1 ILE 36 1HG1 ILE 36 -0.190 -6.687 -10.851 265 1HG2 ILE 36 1HG2 ILE 36 -1.825 -6.262 -14.502 266 2HG2 ILE 36 2HG2 ILE 36 -1.060 -4.870 -13.734 267 3HG2 ILE 36 3HG2 ILE 36 -2.291 -5.789 -12.868 268 1HD1 ILE 36 1HD1 ILE 36 2.037 -6.676 -12.652 269 2HD1 ILE 36 2HD1 ILE 36 2.060 -6.801 -10.892 270 3HD1 ILE 36 3HD1 ILE 36 2.117 -5.217 -11.667 271 H SER 37 H SER 37 1.359 -9.084 -13.235 272 HA SER 37 HA SER 37 1.612 -10.671 -10.801 273 1HB SER 37 2HB SER 37 2.351 -11.538 -13.042 274 2HB SER 37 1HB SER 37 3.627 -10.323 -13.032 275 HG SER 37 HG SER 37 4.709 -11.623 -11.797 276 H THR 38 H THR 38 2.233 -9.671 -9.008 277 HA THR 38 HA THR 38 3.511 -7.195 -8.770 278 HB THR 38 HB THR 38 4.072 -7.879 -6.459 279 HG1 THR 38 HG1 THR 38 4.495 -9.920 -6.270 280 1HG2 THR 38 1HG2 THR 38 1.856 -7.095 -6.691 281 2HG2 THR 38 2HG2 THR 38 1.687 -8.625 -5.830 282 3HG2 THR 38 3HG2 THR 38 1.346 -8.543 -7.559 283 H LYS 39 H LYS 39 4.830 -10.437 -9.124 284 HA LYS 39 HA LYS 39 7.543 -9.881 -8.539 285 1HB LYS 39 2HB LYS 39 6.504 -11.901 -10.543 286 2HB LYS 39 1HB LYS 39 8.065 -11.929 -9.727 287 1HG LYS 39 2HG LYS 39 7.166 -12.641 -7.731 288 2HG LYS 39 1HG LYS 39 5.636 -11.810 -8.004 289 1HD LYS 39 2HD LYS 39 5.604 -13.645 -10.034 290 2HD LYS 39 1HD LYS 39 6.457 -14.542 -8.778 291 1HE LYS 39 2HE LYS 39 4.249 -15.036 -8.238 292 2HE LYS 39 1HE LYS 39 4.524 -13.615 -7.232 293 1HZ LYS 39 1HZ LYS 39 3.299 -13.593 -9.940 294 2HZ LYS 39 2HZ LYS 39 3.538 -12.238 -8.944 295 3HZ LYS 39 3HZ LYS 39 2.450 -13.457 -8.478 296 H GLU 40 H GLU 40 5.579 -9.455 -11.419 297 HA GLU 40 HA GLU 40 7.894 -8.603 -13.007 298 1HB GLU 40 2HB GLU 40 5.000 -9.107 -13.701 299 2HB GLU 40 1HB GLU 40 6.149 -8.404 -14.839 300 1HG GLU 40 2HG GLU 40 7.554 -10.357 -14.753 301 2HG GLU 40 1HG GLU 40 6.630 -11.031 -13.410 302 H LEU 41 H LEU 41 6.515 -7.003 -10.697 303 HA LEU 41 HA LEU 41 5.240 -4.738 -11.766 304 1HB LEU 41 2HB LEU 41 6.015 -5.548 -9.236 305 2HB LEU 41 1HB LEU 41 6.990 -4.126 -9.513 306 HG LEU 41 HG LEU 41 4.947 -3.522 -8.346 307 1HD1 LEU 41 1HD1 LEU 41 5.806 -1.894 -9.965 308 2HD1 LEU 41 2HD1 LEU 41 4.042 -1.850 -9.940 309 3HD1 LEU 41 3HD1 LEU 41 4.886 -2.668 -11.255 310 1HD2 LEU 41 1HD2 LEU 41 2.765 -3.782 -9.756 311 2HD2 LEU 41 2HD2 LEU 41 3.377 -5.187 -8.879 312 3HD2 LEU 41 3HD2 LEU 41 3.664 -5.036 -10.612 313 H GLY 42 H GLY 42 8.621 -5.648 -11.713 314 1HA GLY 42 2HA GLY 42 9.871 -3.162 -12.023 315 2HA GLY 42 1HA GLY 42 10.484 -4.684 -12.663 316 H LYS 43 H LYS 43 8.417 -5.325 -14.449 317 HA LYS 43 HA LYS 43 9.132 -3.839 -16.752 318 1HB LYS 43 2HB LYS 43 8.111 -6.254 -16.477 319 2HB LYS 43 1HB LYS 43 6.574 -5.399 -16.615 320 1HG LYS 43 2HG LYS 43 6.945 -5.726 -18.843 321 2HG LYS 43 1HG LYS 43 7.893 -4.252 -18.668 322 1HD LYS 43 2HD LYS 43 9.916 -5.376 -18.755 323 2HD LYS 43 1HD LYS 43 9.236 -6.864 -18.096 324 1HE LYS 43 2HE LYS 43 7.868 -6.907 -20.339 325 2HE LYS 43 1HE LYS 43 9.139 -5.829 -20.915 326 1HZ LYS 43 1HZ LYS 43 9.678 -8.137 -21.359 327 2HZ LYS 43 2HZ LYS 43 9.555 -8.512 -19.706 328 3HZ LYS 43 3HZ LYS 43 10.783 -7.473 -20.258 329 H VAL 44 H VAL 44 6.638 -3.450 -14.363 330 HA VAL 44 HA VAL 44 5.045 -1.612 -15.958 331 HB VAL 44 HB VAL 44 4.697 -1.872 -12.996 332 1HG1 VAL 44 1HG1 VAL 44 3.301 -0.708 -15.117 333 2HG1 VAL 44 2HG1 VAL 44 2.694 -0.967 -13.481 334 3HG1 VAL 44 3HG1 VAL 44 2.383 -2.165 -14.737 335 1HG2 VAL 44 1HG2 VAL 44 3.239 -3.919 -13.497 336 2HG2 VAL 44 2HG2 VAL 44 4.982 -4.189 -13.526 337 3HG2 VAL 44 3HG2 VAL 44 4.091 -4.028 -15.037 338 H MET 45 H MET 45 7.192 -1.517 -13.134 339 HA MET 45 HA MET 45 7.014 1.193 -12.490 340 1HB MET 45 2HB MET 45 9.353 -0.716 -12.274 341 2HB MET 45 1HB MET 45 9.351 0.906 -11.583 342 1HG MET 45 2HG MET 45 6.932 -0.573 -10.889 343 2HG MET 45 1HG MET 45 8.391 -1.402 -10.348 344 1HE MET 45 1HE MET 45 6.669 2.334 -10.280 345 2HE MET 45 2HE MET 45 6.262 2.043 -8.590 346 3HE MET 45 3HE MET 45 5.810 0.858 -9.814 347 H ARG 46 H ARG 46 9.083 -0.466 -14.857 348 HA ARG 46 HA ARG 46 10.669 1.734 -15.625 349 1HB ARG 46 2HB ARG 46 9.735 -0.578 -17.347 350 2HB ARG 46 1HB ARG 46 11.069 0.512 -17.721 351 1HG ARG 46 2HG ARG 46 11.363 -0.573 -15.047 352 2HG ARG 46 1HG ARG 46 11.210 -1.870 -16.232 353 1HD ARG 46 2HD ARG 46 12.988 -0.787 -17.598 354 2HD ARG 46 1HD ARG 46 13.172 0.436 -16.347 355 HE ARG 46 HE ARG 46 14.311 -1.122 -15.041 356 1HH1 ARG 46 2HH1 ARG 46 12.735 -2.705 -17.730 357 2HH1 ARG 46 1HH1 ARG 46 13.527 -4.220 -17.462 358 1HH2 ARG 46 1HH2 ARG 46 15.333 -3.119 -14.710 359 2HH2 ARG 46 2HH2 ARG 46 14.993 -4.455 -15.758 360 H MET 47 H MET 47 7.448 0.711 -16.638 361 HA MET 47 HA MET 47 7.199 2.689 -18.728 362 1HB MET 47 2HB MET 47 5.110 0.990 -17.342 363 2HB MET 47 1HB MET 47 4.819 1.991 -18.763 364 1HG MET 47 2HG MET 47 6.950 -0.156 -18.713 365 2HG MET 47 1HG MET 47 5.291 -0.485 -19.212 366 1HE MET 47 1HE MET 47 7.559 -1.140 -21.185 367 2HE MET 47 2HE MET 47 8.587 0.012 -20.338 368 3HE MET 47 3HE MET 47 8.306 0.199 -22.067 369 H LEU 48 H LEU 48 6.485 2.484 -15.302 370 HA LEU 48 HA LEU 48 4.713 4.724 -15.142 371 1HB LEU 48 2HB LEU 48 6.184 2.992 -13.251 372 2HB LEU 48 1HB LEU 48 5.813 4.600 -12.675 373 HG LEU 48 HG LEU 48 3.420 4.194 -13.029 374 1HD1 LEU 48 1HD1 LEU 48 4.102 2.446 -14.943 375 2HD1 LEU 48 2HD1 LEU 48 2.561 2.331 -14.091 376 3HD1 LEU 48 3HD1 LEU 48 3.913 1.305 -13.612 377 1HD2 LEU 48 1HD2 LEU 48 4.969 2.105 -11.484 378 2HD2 LEU 48 2HD2 LEU 48 3.211 2.217 -11.406 379 3HD2 LEU 48 3HD2 LEU 48 4.206 3.568 -10.862 380 H GLY 49 H GLY 49 8.180 4.273 -15.022 381 1HA GLY 49 2HA GLY 49 9.435 6.281 -15.890 382 2HA GLY 49 1HA GLY 49 8.555 7.195 -14.675 383 H GLN 50 H GLN 50 9.832 3.945 -14.103 384 HA GLN 50 HA GLN 50 12.212 4.929 -12.762 385 1HB GLN 50 2HB GLN 50 11.588 3.891 -10.560 386 2HB GLN 50 1HB GLN 50 10.660 5.334 -10.965 387 1HG GLN 50 2HG GLN 50 9.215 3.205 -12.095 388 2HG GLN 50 1HG GLN 50 9.722 2.623 -10.511 389 1HE2 GLN 50 1HE2 GLN 50 7.903 5.216 -12.154 390 2HE2 GLN 50 2HE2 GLN 50 7.065 5.726 -10.770 391 H ASN 51 H ASN 51 13.741 3.344 -12.398 392 HA ASN 51 HA ASN 51 13.009 0.612 -13.288 393 1HB ASN 51 2HB ASN 51 15.447 0.495 -14.101 394 2HB ASN 51 1HB ASN 51 14.320 1.445 -15.066 395 1HD2 ASN 51 1HD2 ASN 51 14.465 3.834 -14.888 396 2HD2 ASN 51 2HD2 ASN 51 15.884 4.562 -14.309 397 HA PRO 52 HA PRO 52 14.945 0.350 -9.096 398 1HB PRO 52 2HB PRO 52 12.882 -0.979 -7.894 399 2HB PRO 52 1HB PRO 52 12.972 0.784 -8.019 400 1HG PRO 52 2HG PRO 52 11.254 -1.120 -9.484 401 2HG PRO 52 1HG PRO 52 10.988 0.593 -9.125 402 1HD PRO 52 2HD PRO 52 11.864 -0.512 -11.602 403 2HD PRO 52 1HD PRO 52 11.793 1.211 -11.168 404 H THR 53 H THR 53 14.464 -1.933 -7.601 405 HA THR 53 HA THR 53 15.466 -4.095 -9.357 406 HB THR 53 HB THR 53 16.798 -4.854 -7.595 407 HG1 THR 53 HG1 THR 53 16.317 -4.044 -5.394 408 1HG2 THR 53 1HG2 THR 53 17.942 -2.945 -6.634 409 2HG2 THR 53 2HG2 THR 53 16.554 -1.908 -6.964 410 3HG2 THR 53 3HG2 THR 53 17.499 -2.570 -8.300 411 HA PRO 54 HA PRO 54 12.028 -6.640 -8.264 412 1HB PRO 54 2HB PRO 54 13.127 -9.048 -7.550 413 2HB PRO 54 1HB PRO 54 13.023 -8.458 -9.216 414 1HG PRO 54 2HG PRO 54 15.372 -8.567 -7.394 415 2HG PRO 54 1HG PRO 54 15.302 -8.708 -9.159 416 1HD PRO 54 2HD PRO 54 16.082 -6.422 -7.762 417 2HD PRO 54 1HD PRO 54 15.554 -6.446 -9.459 418 H GLU 55 H GLU 55 14.545 -6.487 -5.801 419 HA GLU 55 HA GLU 55 12.780 -7.409 -3.684 420 1HB GLU 55 2HB GLU 55 14.639 -6.855 -2.161 421 2HB GLU 55 1HB GLU 55 15.177 -7.881 -3.487 422 1HG GLU 55 2HG GLU 55 16.203 -6.041 -4.621 423 2HG GLU 55 1HG GLU 55 15.420 -4.865 -3.566 424 H GLU 56 H GLU 56 13.876 -4.365 -5.064 425 HA GLU 56 HA GLU 56 12.924 -2.683 -2.951 426 1HB GLU 56 2HB GLU 56 13.779 -2.214 -5.794 427 2HB GLU 56 1HB GLU 56 13.027 -0.920 -4.861 428 1HG GLU 56 2HG GLU 56 15.332 -2.492 -3.716 429 2HG GLU 56 1HG GLU 56 15.622 -1.133 -4.802 430 H LEU 57 H LEU 57 11.607 -3.568 -6.165 431 HA LEU 57 HA LEU 57 9.217 -2.084 -5.918 432 1HB LEU 57 2HB LEU 57 8.335 -3.545 -7.690 433 2HB LEU 57 1HB LEU 57 9.890 -2.855 -8.077 434 HG LEU 57 HG LEU 57 10.730 -5.217 -7.119 435 1HD1 LEU 57 1HD1 LEU 57 8.467 -6.025 -6.577 436 2HD1 LEU 57 2HD1 LEU 57 9.162 -6.987 -7.881 437 3HD1 LEU 57 3HD1 LEU 57 7.960 -5.750 -8.243 438 1HD2 LEU 57 1HD2 LEU 57 9.572 -4.755 -9.887 439 2HD2 LEU 57 2HD2 LEU 57 10.771 -5.979 -9.472 440 3HD2 LEU 57 3HD2 LEU 57 11.182 -4.268 -9.359 441 H GLN 58 H GLN 58 10.104 -5.334 -4.848 442 HA GLN 58 HA GLN 58 7.525 -6.294 -4.246 443 1HB GLN 58 2HB GLN 58 9.727 -7.601 -4.242 444 2HB GLN 58 1HB GLN 58 9.978 -6.957 -2.620 445 1HG GLN 58 2HG GLN 58 8.908 -9.106 -2.381 446 2HG GLN 58 1HG GLN 58 7.706 -7.874 -1.998 447 1HE2 GLN 58 1HE2 GLN 58 5.850 -7.706 -3.374 448 2HE2 GLN 58 2HE2 GLN 58 5.586 -8.740 -4.693 449 H GLU 59 H GLU 59 9.662 -4.120 -2.482 450 HA GLU 59 HA GLU 59 8.341 -4.240 0.034 451 1HB GLU 59 2HB GLU 59 10.171 -2.232 -1.262 452 2HB GLU 59 1HB GLU 59 9.402 -1.883 0.286 453 1HG GLU 59 2HG GLU 59 10.534 -3.600 1.391 454 2HG GLU 59 1HG GLU 59 10.827 -4.501 -0.097 455 H MET 60 H MET 60 8.060 -1.915 -2.677 456 HA MET 60 HA MET 60 5.967 -0.416 -1.451 457 1HB MET 60 2HB MET 60 5.622 0.599 -3.666 458 2HB MET 60 1HB MET 60 7.328 0.574 -3.230 459 1HG MET 60 2HG MET 60 7.775 -1.262 -4.689 460 2HG MET 60 1HG MET 60 6.058 -1.596 -4.911 461 1HE MET 60 1HE MET 60 8.369 2.079 -6.249 462 2HE MET 60 2HE MET 60 9.121 0.511 -6.529 463 3HE MET 60 3HE MET 60 8.660 0.980 -4.895 464 H ILE 61 H ILE 61 6.034 -3.296 -3.432 465 HA ILE 61 HA ILE 61 3.260 -3.314 -4.130 466 HB ILE 61 HB ILE 61 5.313 -5.540 -3.990 467 1HG1 ILE 61 2HG1 ILE 61 4.018 -4.329 -6.433 468 2HG1 ILE 61 1HG1 ILE 61 5.443 -3.595 -5.700 469 1HG2 ILE 61 1HG2 ILE 61 2.724 -5.773 -5.492 470 2HG2 ILE 61 2HG2 ILE 61 2.725 -6.099 -3.760 471 3HG2 ILE 61 3HG2 ILE 61 3.753 -7.045 -4.833 472 1HD1 ILE 61 1HD1 ILE 61 6.481 -5.028 -7.180 473 2HD1 ILE 61 2HD1 ILE 61 5.174 -6.209 -7.115 474 3HD1 ILE 61 3HD1 ILE 61 6.335 -6.105 -5.792 475 H ASP 62 H ASP 62 5.180 -4.887 -1.576 476 HA ASP 62 HA ASP 62 3.104 -6.291 -0.313 477 1HB ASP 62 2HB ASP 62 5.594 -6.460 0.179 478 2HB ASP 62 1HB ASP 62 5.418 -4.992 1.138 479 H GLU 63 H GLU 63 4.157 -2.930 -0.010 480 HA GLU 63 HA GLU 63 2.495 -2.265 2.216 481 1HB GLU 63 2HB GLU 63 3.837 -0.559 0.112 482 2HB GLU 63 1HB GLU 63 2.926 0.111 1.465 483 1HG GLU 63 2HG GLU 63 5.124 -1.895 1.946 484 2HG GLU 63 1HG GLU 63 5.499 -0.185 1.735 485 H VAL 64 H VAL 64 2.125 -1.748 -1.310 486 HA VAL 64 HA VAL 64 -0.461 -0.535 -1.045 487 HB VAL 64 HB VAL 64 1.038 -0.087 -2.971 488 1HG1 VAL 64 1HG1 VAL 64 1.327 -1.731 -4.721 489 2HG1 VAL 64 2HG1 VAL 64 0.267 -2.869 -3.890 490 3HG1 VAL 64 3HG1 VAL 64 1.836 -2.456 -3.197 491 1HG2 VAL 64 1HG2 VAL 64 -1.660 -0.170 -2.949 492 2HG2 VAL 64 2HG2 VAL 64 -1.349 -1.342 -4.228 493 3HG2 VAL 64 3HG2 VAL 64 -0.737 0.307 -4.374 494 H ASP 65 H ASP 65 0.673 -3.839 -1.549 495 HA ASP 65 HA ASP 65 -1.962 -4.873 -2.162 496 1HB ASP 65 2HB ASP 65 0.649 -5.835 -2.478 497 2HB ASP 65 1HB ASP 65 -0.054 -6.867 -1.238 498 H GLU 66 H GLU 66 -3.366 -4.535 -0.520 499 HA GLU 66 HA GLU 66 -2.771 -4.667 2.242 500 1HB GLU 66 2HB GLU 66 -5.465 -5.195 0.964 501 2HB GLU 66 1HB GLU 66 -5.158 -4.652 2.613 502 1HG GLU 66 2HG GLU 66 -4.017 -2.610 1.591 503 2HG GLU 66 1HG GLU 66 -4.696 -3.124 0.045 504 H ASP 67 H ASP 67 -4.186 -7.051 0.026 505 HA ASP 67 HA ASP 67 -4.335 -9.101 2.061 506 1HB ASP 67 2HB ASP 67 -4.919 -10.585 0.073 507 2HB ASP 67 1HB ASP 67 -6.020 -9.249 0.396 508 H GLY 68 H GLY 68 -2.160 -8.295 -0.610 509 1HA GLY 68 2HA GLY 68 0.022 -8.946 -1.003 510 2HA GLY 68 1HA GLY 68 0.005 -9.774 0.554 511 H SER 69 H SER 69 -1.979 -10.167 -2.372 512 HA SER 69 HA SER 69 -1.759 -13.052 -2.221 513 1HB SER 69 2HB SER 69 -3.234 -12.995 -4.237 514 2HB SER 69 1HB SER 69 -3.891 -12.115 -2.861 515 HG SER 69 HG SER 69 -3.046 -11.209 -5.320 516 H GLY 70 H GLY 70 0.234 -10.695 -3.553 517 1HA GLY 70 2HA GLY 70 2.170 -11.013 -4.810 518 2HA GLY 70 1HA GLY 70 1.632 -12.650 -5.189 519 H THR 71 H THR 71 -0.733 -10.206 -5.601 520 HA THR 71 HA THR 71 -0.129 -9.784 -8.433 521 HB THR 71 HB THR 71 -2.329 -10.480 -9.169 522 HG1 THR 71 HG1 THR 71 -3.778 -10.243 -7.654 523 1HG2 THR 71 1HG2 THR 71 -1.093 -12.571 -7.352 524 2HG2 THR 71 2HG2 THR 71 -0.628 -12.249 -9.024 525 3HG2 THR 71 3HG2 THR 71 -2.228 -12.900 -8.663 526 H VAL 72 H VAL 72 -0.553 -7.736 -9.004 527 HA VAL 72 HA VAL 72 -1.753 -5.968 -7.025 528 HB VAL 72 HB VAL 72 -0.759 -5.172 -9.763 529 1HG1 VAL 72 1HG1 VAL 72 -0.518 -2.997 -8.756 530 2HG1 VAL 72 2HG1 VAL 72 -0.849 -3.644 -7.150 531 3HG1 VAL 72 3HG1 VAL 72 -2.134 -3.580 -8.356 532 1HG2 VAL 72 1HG2 VAL 72 1.084 -6.347 -8.744 533 2HG2 VAL 72 2HG2 VAL 72 0.774 -5.584 -7.182 534 3HG2 VAL 72 3HG2 VAL 72 1.385 -4.620 -8.526 535 H ASP 73 H ASP 73 -3.797 -5.380 -7.010 536 HA ASP 73 HA ASP 73 -5.538 -6.038 -9.269 537 1HB ASP 73 2HB ASP 73 -6.412 -4.609 -6.756 538 2HB ASP 73 1HB ASP 73 -7.367 -5.633 -7.824 539 H PHE 74 H PHE 74 -7.096 -4.287 -10.027 540 HA PHE 74 HA PHE 74 -5.657 -2.078 -10.985 541 1HB PHE 74 2HB PHE 74 -7.830 -2.990 -11.932 542 2HB PHE 74 1HB PHE 74 -8.660 -2.091 -10.660 543 HD1 PHE 74 HD1 PHE 74 -5.643 -1.303 -12.734 544 HD2 PHE 74 HD2 PHE 74 -9.650 -0.207 -11.637 545 HE1 PHE 74 HE1 PHE 74 -5.458 0.768 -14.089 546 HE2 PHE 74 HE2 PHE 74 -9.457 1.866 -12.986 547 HZ PHE 74 HZ PHE 74 -7.362 2.349 -14.210 548 H ASP 75 H ASP 75 -7.601 -2.462 -8.066 549 HA ASP 75 HA ASP 75 -7.708 0.297 -7.349 550 1HB ASP 75 2HB ASP 75 -7.895 -2.207 -5.653 551 2HB ASP 75 1HB ASP 75 -8.185 -0.577 -5.044 552 H GLU 76 H GLU 76 -5.493 -2.366 -6.561 553 HA GLU 76 HA GLU 76 -3.793 -0.810 -4.846 554 1HB GLU 76 2HB GLU 76 -3.152 -3.387 -6.311 555 2HB GLU 76 1HB GLU 76 -2.276 -2.720 -4.934 556 1HG GLU 76 2HG GLU 76 -4.218 -3.001 -3.492 557 2HG GLU 76 1HG GLU 76 -5.206 -3.508 -4.860 558 H PHE 77 H PHE 77 -3.970 -1.470 -8.275 559 HA PHE 77 HA PHE 77 -1.365 -0.702 -9.054 560 1HB PHE 77 2HB PHE 77 -3.453 -1.797 -10.357 561 2HB PHE 77 1HB PHE 77 -3.674 -0.125 -10.846 562 HD1 PHE 77 HD1 PHE 77 -3.290 -0.879 -13.158 563 HD2 PHE 77 HD2 PHE 77 -0.216 -1.200 -10.157 564 HE1 PHE 77 HE1 PHE 77 -1.582 -1.164 -14.920 565 HE2 PHE 77 HE2 PHE 77 1.481 -1.478 -11.934 566 HZ PHE 77 HZ PHE 77 0.797 -1.464 -14.319 567 H LEU 78 H LEU 78 -4.429 1.113 -8.943 568 HA LEU 78 HA LEU 78 -3.279 3.598 -9.763 569 1HB LEU 78 2HB LEU 78 -5.905 2.735 -8.647 570 2HB LEU 78 1HB LEU 78 -5.500 4.441 -8.603 571 HG LEU 78 HG LEU 78 -5.440 4.582 -10.979 572 1HD1 LEU 78 1HD1 LEU 78 -4.203 2.395 -11.277 573 2HD1 LEU 78 2HD1 LEU 78 -5.474 2.690 -12.463 574 3HD1 LEU 78 3HD1 LEU 78 -5.759 1.575 -11.126 575 1HD2 LEU 78 1HD2 LEU 78 -7.697 4.602 -10.276 576 2HD2 LEU 78 2HD2 LEU 78 -7.691 2.874 -9.923 577 3HD2 LEU 78 3HD2 LEU 78 -7.670 3.433 -11.596 578 H VAL 79 H VAL 79 -3.740 2.033 -6.652 579 HA VAL 79 HA VAL 79 -3.476 4.264 -4.952 580 HB VAL 79 HB VAL 79 -3.046 1.320 -4.674 581 1HG1 VAL 79 1HG1 VAL 79 -2.247 1.655 -2.330 582 2HG1 VAL 79 2HG1 VAL 79 -2.043 3.373 -2.677 583 3HG1 VAL 79 3HG1 VAL 79 -1.072 2.176 -3.540 584 1HG2 VAL 79 1HG2 VAL 79 -4.466 3.219 -2.809 585 2HG2 VAL 79 2HG2 VAL 79 -4.783 1.507 -3.090 586 3HG2 VAL 79 3HG2 VAL 79 -5.218 2.697 -4.316 587 H MET 80 H MET 80 -1.026 2.050 -6.283 588 HA MET 80 HA MET 80 1.287 2.996 -5.146 589 1HB MET 80 2HB MET 80 0.674 1.312 -7.273 590 2HB MET 80 1HB MET 80 1.667 2.572 -8.003 591 1HG MET 80 2HG MET 80 3.301 2.238 -6.082 592 2HG MET 80 1HG MET 80 2.369 0.804 -5.649 593 1HE MET 80 1HE MET 80 2.032 -1.033 -6.661 594 2HE MET 80 2HE MET 80 3.693 -1.619 -6.618 595 3HE MET 80 3HE MET 80 2.765 -1.732 -8.111 596 H MET 81 H MET 81 -0.692 4.649 -7.539 597 HA MET 81 HA MET 81 1.229 6.475 -8.529 598 1HB MET 81 2HB MET 81 -0.994 6.162 -9.573 599 2HB MET 81 1HB MET 81 -1.749 6.909 -8.167 600 1HG MET 81 2HG MET 81 -1.394 8.946 -9.051 601 2HG MET 81 1HG MET 81 0.342 8.645 -9.054 602 1HE MET 81 1HE MET 81 1.753 8.280 -11.185 603 2HE MET 81 2HE MET 81 1.158 7.170 -12.416 604 3HE MET 81 3HE MET 81 1.172 6.675 -10.725 605 H VAL 82 H VAL 82 -1.259 6.965 -6.001 606 HA VAL 82 HA VAL 82 -0.249 9.471 -5.129 607 HB VAL 82 HB VAL 82 -1.625 9.066 -3.072 608 1HG1 VAL 82 1HG1 VAL 82 -2.591 10.084 -5.099 609 2HG1 VAL 82 2HG1 VAL 82 -3.779 9.077 -4.272 610 3HG1 VAL 82 3HG1 VAL 82 -2.975 8.479 -5.724 611 1HG2 VAL 82 1HG2 VAL 82 -2.936 7.058 -2.874 612 2HG2 VAL 82 2HG2 VAL 82 -1.267 6.550 -3.131 613 3HG2 VAL 82 3HG2 VAL 82 -2.421 6.494 -4.465 614 H ARG 83 H ARG 83 0.547 6.156 -4.299 615 HA ARG 83 HA ARG 83 1.934 6.584 -1.881 616 1HB ARG 83 2HB ARG 83 2.393 4.520 -4.053 617 2HB ARG 83 1HB ARG 83 3.170 4.485 -2.472 618 1HG ARG 83 2HG ARG 83 0.561 4.785 -1.740 619 2HG ARG 83 1HG ARG 83 0.381 3.838 -3.217 620 1HD ARG 83 2HD ARG 83 1.813 2.105 -2.380 621 2HD ARG 83 1HD ARG 83 2.312 3.090 -1.010 622 HE ARG 83 HE ARG 83 -0.110 1.531 -1.225 623 1HH1 ARG 83 2HH1 ARG 83 1.402 4.301 0.278 624 2HH1 ARG 83 1HH1 ARG 83 0.355 4.280 1.655 625 1HH2 ARG 83 1HH2 ARG 83 -1.467 1.526 0.592 626 2HH2 ARG 83 2HH2 ARG 83 -1.264 2.716 1.834 627 H CYS 84 H CYS 84 2.927 6.826 -5.267 628 HA CYS 84 HA CYS 84 5.705 7.287 -4.745 629 1HB CYS 84 2HB CYS 84 3.929 7.660 -7.144 630 2HB CYS 84 1HB CYS 84 5.580 8.278 -7.146 631 HG CYS 84 HG CYS 84 5.502 5.751 -8.026 632 H MET 85 H MET 85 2.909 9.400 -5.360 633 HA MET 85 HA MET 85 4.311 11.856 -5.404 634 1HB MET 85 2HB MET 85 1.458 11.076 -4.920 635 2HB MET 85 1HB MET 85 1.969 12.728 -4.574 636 1HG MET 85 2HG MET 85 3.069 12.584 -6.961 637 2HG MET 85 1HG MET 85 1.909 11.278 -7.203 638 1HE MET 85 1HE MET 85 1.983 15.378 -7.599 639 2HE MET 85 2HE MET 85 2.757 14.604 -6.219 640 3HE MET 85 3HE MET 85 1.285 15.543 -5.983 641 H LYS 86 H LYS 86 2.456 10.316 -2.761 642 HA LYS 86 HA LYS 86 2.755 10.343 -0.482 643 1HB LYS 86 2HB LYS 86 5.344 10.619 -1.407 644 2HB LYS 86 1HB LYS 86 5.152 12.021 -0.355 645 1HG LYS 86 2HG LYS 86 5.791 10.441 1.210 646 2HG LYS 86 1HG LYS 86 4.041 10.226 1.261 647 1HD LYS 86 2HD LYS 86 4.110 8.250 0.016 648 2HD LYS 86 1HD LYS 86 5.668 8.645 -0.710 649 1HE LYS 86 2HE LYS 86 6.366 7.082 0.841 650 2HE LYS 86 1HE LYS 86 6.469 8.536 1.833 651 1HZ LYS 86 1HZ LYS 86 5.285 6.792 2.990 652 2HZ LYS 86 2HZ LYS 86 4.166 6.661 1.719 653 3HZ LYS 86 3HZ LYS 86 4.233 8.079 2.654 654 H ASP 87 H ASP 87 2.489 11.743 1.328 655 HA ASP 87 HA ASP 87 1.298 14.304 0.579 656 1HB ASP 87 2HB ASP 87 0.519 14.357 2.946 657 2HB ASP 87 1HB ASP 87 -0.002 12.918 2.078 658 H ASP 88 H ASP 88 4.084 13.067 2.341 659 HA ASP 88 HA ASP 88 4.822 15.402 3.734 660 1HB ASP 88 2HB ASP 88 5.824 13.123 4.076 661 2HB ASP 88 1HB ASP 88 6.712 13.342 2.569 662 H SER 89 HN SER 89 6.060 14.172 0.608 663 HA SER 89 HA SER 89 7.011 16.900 -0.014 664 1HB SER 89 2HB SER 89 7.761 14.249 -1.273 665 2HB SER 89 1HB SER 89 8.408 15.820 -1.741 666 HG SER 89 HG SER 89 9.457 15.965 0.154 Start of MODEL 3 1 1H MET 1 1H MET 1 -7.075 8.705 11.558 2 2H MET 1 2H MET 1 -5.437 8.686 11.109 3 3H MET 1 3H MET 1 -6.576 7.800 10.214 4 HA MET 1 HA MET 1 -7.661 9.839 9.510 5 1HB MET 1 2HB MET 1 -5.576 11.005 11.345 6 2HB MET 1 1HB MET 1 -6.197 11.958 9.998 7 1HG MET 1 2HG MET 1 -8.450 11.802 10.821 8 2HG MET 1 1HG MET 1 -7.992 10.599 12.027 9 1HE MET 1 1HE MET 1 -6.841 10.723 13.776 10 2HE MET 1 2HE MET 1 -7.024 12.046 14.925 11 3HE MET 1 3HE MET 1 -5.529 11.887 14.009 12 H ASN 2 H ASN 2 -6.859 8.461 7.762 13 HA ASN 2 HA ASN 2 -4.812 9.805 6.218 14 1HB ASN 2 2HB ASN 2 -3.527 7.622 5.855 15 2HB ASN 2 1HB ASN 2 -3.273 8.437 7.396 16 1HD2 ASN 2 1HD2 ASN 2 -4.819 5.632 5.863 17 2HD2 ASN 2 2HD2 ASN 2 -5.139 4.804 7.310 18 H ASP 3 H ASP 3 -7.510 9.525 5.726 19 HA ASP 3 HA ASP 3 -7.842 7.342 3.799 20 1HB ASP 3 2HB ASP 3 -10.173 8.037 3.685 21 2HB ASP 3 1HB ASP 3 -9.685 7.871 5.369 22 H ILE 4 H ILE 4 -6.212 10.062 3.524 23 HA ILE 4 HA ILE 4 -7.401 11.462 1.356 24 HB ILE 4 HB ILE 4 -5.159 12.463 1.034 25 1HG1 ILE 4 2HG1 ILE 4 -3.599 11.650 3.105 26 2HG1 ILE 4 1HG1 ILE 4 -4.401 10.129 2.719 27 1HG2 ILE 4 1HG2 ILE 4 -4.988 12.939 3.737 28 2HG2 ILE 4 2HG2 ILE 4 -6.648 12.367 3.572 29 3HG2 ILE 4 3HG2 ILE 4 -6.098 13.759 2.641 30 1HD1 ILE 4 1HD1 ILE 4 -3.512 10.051 0.562 31 2HD1 ILE 4 2HD1 ILE 4 -2.180 10.765 1.470 32 3HD1 ILE 4 3HD1 ILE 4 -3.239 11.792 0.502 33 H TYR 5 H TYR 5 -5.373 8.618 1.533 34 HA TYR 5 HA TYR 5 -4.455 8.534 -1.139 35 1HB TYR 5 2HB TYR 5 -5.018 6.297 0.824 36 2HB TYR 5 1HB TYR 5 -4.229 6.062 -0.736 37 HD1 TYR 5 HD1 TYR 5 -3.906 7.540 2.630 38 HD2 TYR 5 HD2 TYR 5 -1.972 6.896 -1.153 39 HE1 TYR 5 HE1 TYR 5 -1.739 8.217 3.623 40 HE2 TYR 5 HE2 TYR 5 0.195 7.575 -0.156 41 HH TYR 5 HH TYR 5 0.903 7.581 2.875 42 H LYS 6 H LYS 6 -7.406 7.363 0.411 43 HA LYS 6 HA LYS 6 -8.451 6.165 -2.012 44 1HB LYS 6 2HB LYS 6 -9.521 6.604 0.764 45 2HB LYS 6 1HB LYS 6 -10.601 6.120 -0.544 46 1HG LYS 6 2HG LYS 6 -9.850 4.094 0.503 47 2HG LYS 6 1HG LYS 6 -8.986 4.220 -1.029 48 1HD LYS 6 2HD LYS 6 -6.979 4.908 0.027 49 2HD LYS 6 1HD LYS 6 -7.809 5.303 1.532 50 1HE LYS 6 2HE LYS 6 -6.739 3.236 1.971 51 2HE LYS 6 1HE LYS 6 -8.418 2.805 1.649 52 1HZ LYS 6 1HZ LYS 6 -6.752 1.413 0.469 53 2HZ LYS 6 2HZ LYS 6 -6.286 2.785 -0.416 54 3HZ LYS 6 3HZ LYS 6 -7.863 2.173 -0.561 55 H ALA 7 H ALA 7 -8.603 9.268 -0.415 56 HA ALA 7 HA ALA 7 -10.958 10.258 -1.672 57 1HB ALA 7 1HB ALA 7 -10.175 11.386 0.290 58 2HB ALA 7 2HB ALA 7 -9.997 12.512 -1.057 59 3HB ALA 7 3HB ALA 7 -8.587 11.659 -0.429 60 H ALA 8 H ALA 8 -7.636 9.941 -2.724 61 HA ALA 8 HA ALA 8 -7.926 11.826 -4.917 62 1HB ALA 8 1HB ALA 8 -5.663 11.214 -5.506 63 2HB ALA 8 2HB ALA 8 -5.720 9.815 -4.434 64 3HB ALA 8 3HB ALA 8 -5.741 11.444 -3.759 65 H VAL 9 H VAL 9 -7.746 8.295 -4.522 66 HA VAL 9 HA VAL 9 -7.874 7.675 -7.290 67 HB VAL 9 HB VAL 9 -7.119 6.083 -5.512 68 1HG1 VAL 9 1HG1 VAL 9 -8.874 6.524 -3.854 69 2HG1 VAL 9 2HG1 VAL 9 -8.861 4.816 -4.291 70 3HG1 VAL 9 3HG1 VAL 9 -10.095 5.886 -4.954 71 1HG2 VAL 9 1HG2 VAL 9 -8.006 5.474 -7.877 72 2HG2 VAL 9 2HG2 VAL 9 -9.435 4.885 -7.028 73 3HG2 VAL 9 3HG2 VAL 9 -7.855 4.178 -6.690 74 H GLU 10 H GLU 10 -10.326 8.590 -4.988 75 HA GLU 10 HA GLU 10 -12.522 7.550 -6.551 76 1HB GLU 10 2HB GLU 10 -13.957 8.605 -4.904 77 2HB GLU 10 1HB GLU 10 -12.647 7.760 -4.080 78 1HG GLU 10 2HG GLU 10 -11.547 9.740 -3.505 79 2HG GLU 10 1HG GLU 10 -12.335 10.669 -4.779 80 H GLN 11 H GLN 11 -10.622 10.454 -6.541 81 HA GLN 11 HA GLN 11 -12.503 11.612 -8.507 82 1HB GLN 11 2HB GLN 11 -12.094 13.857 -7.628 83 2HB GLN 11 1HB GLN 11 -12.779 12.823 -6.378 84 1HG GLN 11 2HG GLN 11 -10.194 12.358 -5.872 85 2HG GLN 11 1HG GLN 11 -10.020 13.948 -6.610 86 1HE2 GLN 11 1HE2 GLN 11 -9.539 15.077 -4.623 87 2HE2 GLN 11 2HE2 GLN 11 -10.688 15.261 -3.388 88 H LEU 12 H LEU 12 -10.073 10.046 -8.896 89 HA LEU 12 HA LEU 12 -7.931 11.814 -9.632 90 1HB LEU 12 2HB LEU 12 -7.267 9.694 -11.046 91 2HB LEU 12 1HB LEU 12 -7.048 9.746 -9.315 92 HG LEU 12 HG LEU 12 -8.995 8.366 -8.970 93 1HD1 LEU 12 1HD1 LEU 12 -10.585 9.015 -10.565 94 2HD1 LEU 12 2HD1 LEU 12 -10.089 7.427 -11.150 95 3HD1 LEU 12 3HD1 LEU 12 -9.439 8.885 -11.900 96 1HD2 LEU 12 1HD2 LEU 12 -6.714 7.424 -9.840 97 2HD2 LEU 12 2HD2 LEU 12 -7.617 7.082 -11.316 98 3HD2 LEU 12 3HD2 LEU 12 -8.115 6.355 -9.789 99 H THR 13 H THR 13 -7.057 11.586 -12.011 100 HA THR 13 HA THR 13 -9.149 12.688 -13.720 101 HB THR 13 HB THR 13 -6.928 12.678 -15.291 102 HG1 THR 13 HG1 THR 13 -5.443 11.957 -13.943 103 1HG2 THR 13 1HG2 THR 13 -6.548 14.995 -13.968 104 2HG2 THR 13 2HG2 THR 13 -8.159 14.581 -13.380 105 3HG2 THR 13 3HG2 THR 13 -7.866 14.745 -15.113 106 H ASP 14 H ASP 14 -9.204 12.052 -16.025 107 HA ASP 14 HA ASP 14 -9.712 9.254 -16.299 108 1HB ASP 14 2HB ASP 14 -9.607 11.538 -18.271 109 2HB ASP 14 1HB ASP 14 -9.920 9.878 -18.777 110 H GLU 15 H GLU 15 -7.018 11.377 -17.052 111 HA GLU 15 HA GLU 15 -5.573 9.527 -18.702 112 1HB GLU 15 2HB GLU 15 -4.761 12.013 -17.191 113 2HB GLU 15 1HB GLU 15 -3.608 11.051 -18.117 114 1HG GLU 15 2HG GLU 15 -4.450 11.732 -20.125 115 2HG GLU 15 1HG GLU 15 -6.115 11.730 -19.542 116 H GLN 16 H GLN 16 -5.830 10.111 -15.256 117 HA GLN 16 HA GLN 16 -3.508 8.629 -14.468 118 1HB GLN 16 2HB GLN 16 -4.480 10.294 -12.965 119 2HB GLN 16 1HB GLN 16 -5.998 9.399 -12.915 120 1HG GLN 16 2HG GLN 16 -5.203 7.924 -11.392 121 2HG GLN 16 1HG GLN 16 -3.663 7.751 -12.234 122 1HE2 GLN 16 1HE2 GLN 16 -5.344 10.449 -10.489 123 2HE2 GLN 16 2HE2 GLN 16 -3.982 10.886 -9.579 124 H LYS 17 H LYS 17 -6.977 7.903 -14.746 125 HA LYS 17 HA LYS 17 -6.891 5.257 -13.744 126 1HB LYS 17 2HB LYS 17 -8.775 6.467 -15.789 127 2HB LYS 17 1HB LYS 17 -9.027 4.936 -14.953 128 1HG LYS 17 2HG LYS 17 -9.619 5.949 -12.994 129 2HG LYS 17 1HG LYS 17 -8.455 7.256 -13.202 130 1HD LYS 17 2HD LYS 17 -10.191 8.573 -13.787 131 2HD LYS 17 1HD LYS 17 -10.291 7.637 -15.276 132 1HE LYS 17 2HE LYS 17 -12.083 6.396 -14.541 133 2HE LYS 17 1HE LYS 17 -11.572 6.460 -12.855 134 1HZ LYS 17 1HZ LYS 17 -13.563 7.786 -13.260 135 2HZ LYS 17 2HZ LYS 17 -12.718 8.734 -14.387 136 3HZ LYS 17 3HZ LYS 17 -12.271 8.758 -12.748 137 H ASN 18 H ASN 18 -6.582 6.577 -17.031 138 HA ASN 18 HA ASN 18 -6.246 4.001 -18.271 139 1HB ASN 18 2HB ASN 18 -5.958 6.844 -19.198 140 2HB ASN 18 1HB ASN 18 -5.362 5.519 -20.200 141 1HD2 ASN 18 1HD2 ASN 18 -8.157 7.322 -19.428 142 2HD2 ASN 18 2HD2 ASN 18 -9.305 6.278 -20.117 143 H GLU 19 H GLU 19 -4.107 6.368 -16.825 144 HA GLU 19 HA GLU 19 -1.661 5.758 -17.995 145 1HB GLU 19 2HB GLU 19 -2.088 7.550 -16.264 146 2HB GLU 19 1HB GLU 19 -2.053 6.284 -15.039 147 1HG GLU 19 2HG GLU 19 0.172 6.839 -14.987 148 2HG GLU 19 1HG GLU 19 0.237 5.691 -16.324 149 H PHE 20 H PHE 20 -3.180 4.224 -15.157 150 HA PHE 20 HA PHE 20 -1.146 2.135 -15.127 151 1HB PHE 20 2HB PHE 20 -3.407 2.914 -13.325 152 2HB PHE 20 1HB PHE 20 -2.723 1.293 -13.216 153 HD1 PHE 20 HD1 PHE 20 -2.116 4.874 -12.701 154 HD2 PHE 20 HD2 PHE 20 -0.376 0.954 -12.565 155 HE1 PHE 20 HE1 PHE 20 -0.212 5.762 -11.386 156 HE2 PHE 20 HE2 PHE 20 1.523 1.833 -11.246 157 HZ PHE 20 HZ PHE 20 1.610 4.242 -10.656 158 H LYS 21 H LYS 21 -4.676 2.403 -15.652 159 HA LYS 21 HA LYS 21 -5.265 -0.298 -15.935 160 1HB LYS 21 2HB LYS 21 -6.944 1.571 -15.910 161 2HB LYS 21 1HB LYS 21 -6.546 1.868 -17.601 162 1HG LYS 21 2HG LYS 21 -6.968 -0.949 -17.248 163 2HG LYS 21 1HG LYS 21 -8.328 -0.091 -16.530 164 1HD LYS 21 2HD LYS 21 -8.623 -0.657 -18.966 165 2HD LYS 21 1HD LYS 21 -8.792 1.058 -18.599 166 1HE LYS 21 2HE LYS 21 -6.448 1.425 -19.323 167 2HE LYS 21 1HE LYS 21 -6.310 -0.289 -19.710 168 1HZ LYS 21 1HZ LYS 21 -8.262 1.591 -20.927 169 2HZ LYS 21 2HZ LYS 21 -8.076 -0.053 -21.320 170 3HZ LYS 21 3HZ LYS 21 -6.831 1.052 -21.661 171 H ALA 22 H ALA 22 -3.914 1.920 -18.363 172 HA ALA 22 HA ALA 22 -4.178 0.320 -20.642 173 1HB ALA 22 1HB ALA 22 -1.894 2.157 -19.880 174 2HB ALA 22 2HB ALA 22 -3.333 2.605 -20.796 175 3HB ALA 22 3HB ALA 22 -2.154 1.495 -21.494 176 H ALA 23 H ALA 23 -1.496 0.448 -18.313 177 HA ALA 23 HA ALA 23 -0.069 -1.761 -19.447 178 1HB ALA 23 1HB ALA 23 1.502 -1.348 -17.834 179 2HB ALA 23 2HB ALA 23 0.295 -1.100 -16.572 180 3HB ALA 23 3HB ALA 23 0.645 0.188 -17.725 181 H PHE 24 H PHE 24 -2.463 -1.327 -16.908 182 HA PHE 24 HA PHE 24 -2.320 -3.859 -15.684 183 1HB PHE 24 2HB PHE 24 -3.650 -1.757 -14.962 184 2HB PHE 24 1HB PHE 24 -4.907 -2.352 -16.044 185 HD1 PHE 24 HD1 PHE 24 -5.826 -4.699 -15.689 186 HD2 PHE 24 HD2 PHE 24 -3.321 -2.724 -12.820 187 HE1 PHE 24 HE1 PHE 24 -6.570 -6.289 -13.939 188 HE2 PHE 24 HE2 PHE 24 -4.064 -4.306 -11.073 189 HZ PHE 24 HZ PHE 24 -5.691 -6.087 -11.630 190 H ASP 25 H ASP 25 -4.364 -2.690 -18.374 191 HA ASP 25 HA ASP 25 -5.806 -5.064 -18.802 192 1HB ASP 25 2HB ASP 25 -6.095 -2.672 -19.826 193 2HB ASP 25 1HB ASP 25 -5.047 -3.294 -21.101 194 H ILE 26 H ILE 26 -2.646 -4.062 -20.092 195 HA ILE 26 HA ILE 26 -2.478 -6.344 -21.857 196 HB ILE 26 HB ILE 26 -0.138 -5.587 -22.262 197 1HG1 ILE 26 2HG1 ILE 26 -0.886 -3.335 -20.365 198 2HG1 ILE 26 1HG1 ILE 26 0.243 -4.633 -19.981 199 1HG2 ILE 26 1HG2 ILE 26 -0.786 -3.661 -23.519 200 2HG2 ILE 26 2HG2 ILE 26 -2.094 -3.283 -22.398 201 3HG2 ILE 26 3HG2 ILE 26 -2.216 -4.692 -23.450 202 1HD1 ILE 26 1HD1 ILE 26 1.908 -3.559 -21.041 203 2HD1 ILE 26 2HD1 ILE 26 0.817 -2.193 -21.283 204 3HD1 ILE 26 3HD1 ILE 26 0.947 -3.449 -22.516 205 H PHE 27 H PHE 27 -1.100 -5.503 -18.679 206 HA PHE 27 HA PHE 27 0.583 -7.804 -18.529 207 1HB PHE 27 2HB PHE 27 -0.477 -5.940 -16.404 208 2HB PHE 27 1HB PHE 27 0.589 -7.296 -16.039 209 HD1 PHE 27 HD1 PHE 27 2.501 -7.384 -18.197 210 HD2 PHE 27 HD2 PHE 27 0.750 -3.952 -16.299 211 HE1 PHE 27 HE1 PHE 27 4.448 -6.013 -18.879 212 HE2 PHE 27 HE2 PHE 27 2.697 -2.583 -16.985 213 HZ PHE 27 HZ PHE 27 4.548 -3.611 -18.272 214 H ILE 28 H ILE 28 -2.770 -7.178 -17.542 215 HA ILE 28 HA ILE 28 -2.972 -9.872 -16.391 216 HB ILE 28 HB ILE 28 -5.148 -9.261 -15.598 217 1HG1 ILE 28 2HG1 ILE 28 -5.737 -6.686 -16.250 218 2HG1 ILE 28 1HG1 ILE 28 -4.945 -7.210 -17.736 219 1HG2 ILE 28 1HG2 ILE 28 -2.974 -8.172 -14.613 220 2HG2 ILE 28 2HG2 ILE 28 -4.556 -7.609 -14.072 221 3HG2 ILE 28 3HG2 ILE 28 -3.652 -6.681 -15.267 222 1HD1 ILE 28 1HD1 ILE 28 -6.568 -8.782 -18.213 223 2HD1 ILE 28 2HD1 ILE 28 -7.554 -7.599 -17.352 224 3HD1 ILE 28 3HD1 ILE 28 -6.970 -9.038 -16.515 225 H GLN 29 H GLN 29 -2.964 -8.805 -19.448 226 HA GLN 29 HA GLN 29 -5.269 -9.543 -20.752 227 1HB GLN 29 2HB GLN 29 -3.295 -8.579 -21.873 228 2HB GLN 29 1HB GLN 29 -2.430 -10.098 -21.651 229 1HG GLN 29 2HG GLN 29 -3.262 -10.275 -23.841 230 2HG GLN 29 1HG GLN 29 -4.443 -11.172 -22.888 231 1HE2 GLN 29 1HE2 GLN 29 -3.875 -7.772 -23.997 232 2HE2 GLN 29 2HE2 GLN 29 -5.514 -7.447 -24.289 233 H ASP 30 H ASP 30 -2.641 -11.661 -19.672 234 HA ASP 30 HA ASP 30 -4.221 -14.033 -20.434 235 1HB ASP 30 2HB ASP 30 -2.105 -15.292 -20.068 236 2HB ASP 30 1HB ASP 30 -1.952 -14.041 -21.299 237 H ALA 31 H ALA 31 -4.739 -12.326 -18.018 238 HA ALA 31 HA ALA 31 -4.105 -14.197 -15.838 239 1HB ALA 31 1HB ALA 31 -4.783 -12.432 -14.325 240 2HB ALA 31 2HB ALA 31 -5.364 -11.450 -15.670 241 3HB ALA 31 3HB ALA 31 -3.638 -11.771 -15.492 242 H GLU 32 H GLU 32 -5.706 -15.007 -14.474 243 HA GLU 32 HA GLU 32 -8.447 -14.984 -15.601 244 1HB GLU 32 2HB GLU 32 -6.977 -17.238 -14.209 245 2HB GLU 32 1HB GLU 32 -8.687 -17.277 -14.639 246 1HG GLU 32 2HG GLU 32 -8.261 -17.438 -16.905 247 2HG GLU 32 1HG GLU 32 -6.727 -16.575 -16.785 248 H ASP 33 H ASP 33 -7.682 -13.020 -13.825 249 HA ASP 33 HA ASP 33 -9.481 -13.543 -11.603 250 1HB ASP 33 2HB ASP 33 -7.077 -14.291 -10.952 251 2HB ASP 33 1HB ASP 33 -6.739 -12.562 -10.870 252 H GLY 34 H GLY 34 -7.061 -11.287 -12.923 253 1HA GLY 34 2HA GLY 34 -7.869 -9.127 -13.783 254 2HA GLY 34 1HA GLY 34 -8.953 -9.066 -12.396 255 H CYS 35 H CYS 35 -5.542 -10.025 -12.490 256 HA CYS 35 HA CYS 35 -4.703 -7.571 -11.125 257 1HB CYS 35 2HB CYS 35 -4.069 -10.278 -9.930 258 2HB CYS 35 1HB CYS 35 -3.720 -8.690 -9.248 259 HG CYS 35 HG CYS 35 -6.344 -8.362 -8.948 260 H ILE 36 H ILE 36 -2.505 -7.120 -11.410 261 HA ILE 36 HA ILE 36 -1.213 -8.657 -13.529 262 HB ILE 36 HB ILE 36 0.333 -6.891 -13.765 263 1HG1 ILE 36 2HG1 ILE 36 -0.055 -5.030 -11.734 264 2HG1 ILE 36 1HG1 ILE 36 -0.100 -6.573 -10.882 265 1HG2 ILE 36 1HG2 ILE 36 -2.353 -5.787 -12.920 266 2HG2 ILE 36 2HG2 ILE 36 -1.792 -6.138 -14.554 267 3HG2 ILE 36 3HG2 ILE 36 -1.095 -4.792 -13.653 268 1HD1 ILE 36 1HD1 ILE 36 2.148 -6.704 -11.028 269 2HD1 ILE 36 2HD1 ILE 36 2.187 -5.187 -11.926 270 3HD1 ILE 36 3HD1 ILE 36 2.021 -6.716 -12.787 271 H SER 37 H SER 37 1.188 -9.114 -13.276 272 HA SER 37 HA SER 37 1.533 -10.657 -10.832 273 1HB SER 37 2HB SER 37 2.197 -11.648 -12.985 274 2HB SER 37 1HB SER 37 3.354 -10.345 -13.235 275 HG SER 37 HG SER 37 3.407 -12.494 -11.440 276 H THR 38 H THR 38 2.110 -9.506 -9.087 277 HA THR 38 HA THR 38 3.518 -7.068 -9.060 278 HB THR 38 HB THR 38 2.234 -7.847 -7.122 279 HG1 THR 38 HG1 THR 38 4.995 -7.620 -6.531 280 1HG2 THR 38 1HG2 THR 38 4.411 -9.727 -6.329 281 2HG2 THR 38 2HG2 THR 38 3.223 -10.287 -7.504 282 3HG2 THR 38 3HG2 THR 38 2.699 -9.748 -5.908 283 H LYS 39 H LYS 39 4.637 -10.398 -9.118 284 HA LYS 39 HA LYS 39 7.378 -9.858 -8.487 285 1HB LYS 39 2HB LYS 39 6.385 -12.187 -10.140 286 2HB LYS 39 1HB LYS 39 7.826 -12.110 -9.130 287 1HG LYS 39 2HG LYS 39 4.936 -12.207 -8.235 288 2HG LYS 39 1HG LYS 39 6.218 -13.365 -7.883 289 1HD LYS 39 2HD LYS 39 7.390 -11.712 -6.520 290 2HD LYS 39 1HD LYS 39 6.196 -10.484 -6.940 291 1HE LYS 39 2HE LYS 39 5.599 -11.331 -4.765 292 2HE LYS 39 1HE LYS 39 4.431 -11.981 -5.915 293 1HZ LYS 39 1HZ LYS 39 5.399 -13.608 -4.284 294 2HZ LYS 39 2HZ LYS 39 6.874 -13.457 -5.114 295 3HZ LYS 39 3HZ LYS 39 5.501 -14.060 -5.915 296 H GLU 40 H GLU 40 5.430 -9.718 -11.374 297 HA GLU 40 HA GLU 40 7.823 -9.260 -13.042 298 1HB GLU 40 2HB GLU 40 4.959 -9.747 -13.908 299 2HB GLU 40 1HB GLU 40 6.362 -9.623 -14.967 300 1HG GLU 40 2HG GLU 40 6.051 -11.711 -12.788 301 2HG GLU 40 1HG GLU 40 5.693 -11.993 -14.491 302 H LEU 41 H LEU 41 6.549 -7.299 -11.111 303 HA LEU 41 HA LEU 41 5.227 -5.303 -12.665 304 1HB LEU 41 2HB LEU 41 5.494 -5.701 -10.016 305 2HB LEU 41 1HB LEU 41 6.710 -4.466 -10.249 306 HG LEU 41 HG LEU 41 4.081 -3.899 -11.488 307 1HD1 LEU 41 1HD1 LEU 41 3.678 -5.059 -9.193 308 2HD1 LEU 41 2HD1 LEU 41 2.888 -3.513 -9.501 309 3HD1 LEU 41 3HD1 LEU 41 4.342 -3.576 -8.506 310 1HD2 LEU 41 1HD2 LEU 41 6.305 -2.453 -11.064 311 2HD2 LEU 41 2HD2 LEU 41 5.476 -2.110 -9.546 312 3HD2 LEU 41 3HD2 LEU 41 4.703 -1.715 -11.081 313 H GLY 42 H GLY 42 8.475 -6.275 -12.650 314 1HA GLY 42 2HA GLY 42 9.907 -3.870 -12.833 315 2HA GLY 42 1HA GLY 42 10.370 -5.383 -13.607 316 H LYS 43 H LYS 43 8.070 -5.684 -15.262 317 HA LYS 43 HA LYS 43 8.803 -4.082 -17.507 318 1HB LYS 43 2HB LYS 43 7.736 -6.462 -17.418 319 2HB LYS 43 1HB LYS 43 6.209 -5.586 -17.315 320 1HG LYS 43 2HG LYS 43 6.485 -5.872 -19.619 321 2HG LYS 43 1HG LYS 43 7.110 -4.246 -19.356 322 1HD LYS 43 2HD LYS 43 8.790 -5.231 -20.669 323 2HD LYS 43 1HD LYS 43 9.408 -5.447 -19.032 324 1HE LYS 43 2HE LYS 43 9.652 -7.610 -19.813 325 2HE LYS 43 1HE LYS 43 8.006 -7.713 -19.192 326 1HZ LYS 43 1HZ LYS 43 8.788 -7.162 -22.005 327 2HZ LYS 43 2HZ LYS 43 7.191 -7.179 -21.422 328 3HZ LYS 43 3HZ LYS 43 8.117 -8.604 -21.414 329 H VAL 44 H VAL 44 6.580 -3.677 -14.905 330 HA VAL 44 HA VAL 44 4.872 -1.756 -16.252 331 HB VAL 44 HB VAL 44 5.001 -2.234 -13.276 332 1HG1 VAL 44 1HG1 VAL 44 3.652 -0.354 -14.443 333 2HG1 VAL 44 2HG1 VAL 44 2.819 -1.364 -13.263 334 3HG1 VAL 44 3HG1 VAL 44 2.593 -1.654 -14.987 335 1HG2 VAL 44 1HG2 VAL 44 3.014 -3.740 -14.891 336 2HG2 VAL 44 2HG2 VAL 44 3.854 -4.213 -13.418 337 3HG2 VAL 44 3HG2 VAL 44 4.676 -4.325 -14.973 338 H MET 45 H MET 45 7.224 -1.739 -13.576 339 HA MET 45 HA MET 45 7.244 0.981 -13.007 340 1HB MET 45 2HB MET 45 8.840 -1.287 -12.335 341 2HB MET 45 1HB MET 45 9.925 0.021 -12.800 342 1HG MET 45 2HG MET 45 9.576 0.998 -10.807 343 2HG MET 45 1HG MET 45 7.867 1.173 -11.207 344 1HE MET 45 1HE MET 45 8.766 1.195 -8.582 345 2HE MET 45 2HE MET 45 8.310 -0.154 -7.544 346 3HE MET 45 3HE MET 45 7.066 0.728 -8.423 347 H ARG 46 H ARG 46 9.160 -0.807 -15.427 348 HA ARG 46 HA ARG 46 10.727 1.374 -16.307 349 1HB ARG 46 2HB ARG 46 11.111 0.075 -18.361 350 2HB ARG 46 1HB ARG 46 11.277 -0.935 -16.928 351 1HG ARG 46 2HG ARG 46 8.992 -1.789 -17.247 352 2HG ARG 46 1HG ARG 46 8.796 -0.759 -18.665 353 1HD ARG 46 2HD ARG 46 11.036 -2.770 -18.454 354 2HD ARG 46 1HD ARG 46 9.455 -3.206 -19.092 355 HE ARG 46 HE ARG 46 11.467 -1.588 -20.405 356 1HH1 ARG 46 2HH1 ARG 46 8.070 -2.387 -20.202 357 2HH1 ARG 46 1HH1 ARG 46 7.727 -1.878 -21.820 358 1HH2 ARG 46 1HH2 ARG 46 10.990 -0.926 -22.519 359 2HH2 ARG 46 2HH2 ARG 46 9.373 -1.053 -23.128 360 H MET 47 H MET 47 7.467 0.345 -17.158 361 HA MET 47 HA MET 47 7.195 2.194 -19.364 362 1HB MET 47 2HB MET 47 5.299 0.389 -17.880 363 2HB MET 47 1HB MET 47 4.699 1.583 -19.031 364 1HG MET 47 2HG MET 47 6.925 -0.284 -19.814 365 2HG MET 47 1HG MET 47 5.247 -0.823 -19.890 366 1HE MET 47 1HE MET 47 8.010 1.122 -20.918 367 2HE MET 47 2HE MET 47 7.576 2.167 -22.268 368 3HE MET 47 3HE MET 47 7.789 0.439 -22.534 369 H LEU 48 H LEU 48 6.648 2.257 -15.913 370 HA LEU 48 HA LEU 48 4.903 4.546 -15.889 371 1HB LEU 48 2HB LEU 48 6.332 2.898 -13.881 372 2HB LEU 48 1HB LEU 48 5.956 4.540 -13.413 373 HG LEU 48 HG LEU 48 3.622 4.152 -13.538 374 1HD1 LEU 48 1HD1 LEU 48 3.006 3.001 -15.411 375 2HD1 LEU 48 2HD1 LEU 48 3.079 1.601 -14.342 376 3HD1 LEU 48 3HD1 LEU 48 4.449 1.989 -15.383 377 1HD2 LEU 48 1HD2 LEU 48 3.555 1.700 -12.391 378 2HD2 LEU 48 2HD2 LEU 48 4.111 3.140 -11.537 379 3HD2 LEU 48 3HD2 LEU 48 5.283 2.039 -12.262 380 H GLY 49 H GLY 49 8.345 3.998 -15.910 381 1HA GLY 49 2HA GLY 49 9.749 5.804 -16.787 382 2HA GLY 49 1HA GLY 49 8.798 6.926 -15.821 383 H GLN 50 H GLN 50 9.967 3.769 -14.715 384 HA GLN 50 HA GLN 50 12.200 4.913 -13.256 385 1HB GLN 50 2HB GLN 50 11.334 4.176 -11.020 386 2HB GLN 50 1HB GLN 50 10.465 5.547 -11.706 387 1HG GLN 50 2HG GLN 50 9.112 3.309 -12.703 388 2HG GLN 50 1HG GLN 50 9.479 2.888 -11.032 389 1HE2 GLN 50 1HE2 GLN 50 8.107 5.609 -12.970 390 2HE2 GLN 50 2HE2 GLN 50 7.034 6.116 -11.757 391 H ASN 51 H ASN 51 13.669 3.384 -12.569 392 HA ASN 51 HA ASN 51 12.946 0.549 -13.001 393 1HB ASN 51 2HB ASN 51 14.355 1.661 -14.879 394 2HB ASN 51 1HB ASN 51 15.676 1.597 -13.714 395 1HD2 ASN 51 1HD2 ASN 51 16.937 -0.154 -14.450 396 2HD2 ASN 51 2HD2 ASN 51 16.325 -1.711 -14.738 397 HA PRO 52 HA PRO 52 14.903 0.988 -8.871 398 1HB PRO 52 2HB PRO 52 12.972 -0.411 -7.531 399 2HB PRO 52 1HB PRO 52 12.864 1.319 -7.880 400 1HG PRO 52 2HG PRO 52 11.413 -0.940 -9.108 401 2HG PRO 52 1HG PRO 52 10.945 0.762 -8.977 402 1HD PRO 52 2HD PRO 52 12.005 -0.541 -11.279 403 2HD PRO 52 1HD PRO 52 11.729 1.204 -11.072 404 H THR 53 H THR 53 14.630 -1.154 -7.102 405 HA THR 53 HA THR 53 16.051 -3.313 -8.532 406 HB THR 53 HB THR 53 17.184 -3.779 -6.536 407 HG1 THR 53 HG1 THR 53 16.323 -2.899 -4.507 408 1HG2 THR 53 1HG2 THR 53 17.625 -1.433 -7.399 409 2HG2 THR 53 2HG2 THR 53 18.046 -1.719 -5.709 410 3HG2 THR 53 3HG2 THR 53 16.562 -0.859 -6.115 411 HA PRO 54 HA PRO 54 12.838 -6.214 -7.661 412 1HB PRO 54 2HB PRO 54 14.101 -8.395 -6.584 413 2HB PRO 54 1HB PRO 54 14.176 -7.950 -8.296 414 1HG PRO 54 2HG PRO 54 16.230 -7.637 -6.175 415 2HG PRO 54 1HG PRO 54 16.433 -7.881 -7.917 416 1HD PRO 54 2HD PRO 54 16.701 -5.438 -6.574 417 2HD PRO 54 1HD PRO 54 16.487 -5.626 -8.329 418 H GLU 55 H GLU 55 14.958 -5.571 -4.914 419 HA GLU 55 HA GLU 55 13.029 -6.529 -2.960 420 1HB GLU 55 2HB GLU 55 14.603 -5.665 -1.273 421 2HB GLU 55 1HB GLU 55 15.417 -6.713 -2.432 422 1HG GLU 55 2HG GLU 55 16.419 -4.874 -3.558 423 2HG GLU 55 1HG GLU 55 15.344 -3.711 -2.780 424 H GLU 56 H GLU 56 13.908 -3.513 -4.521 425 HA GLU 56 HA GLU 56 12.550 -1.798 -2.659 426 1HB GLU 56 2HB GLU 56 13.805 -1.456 -5.351 427 2HB GLU 56 1HB GLU 56 12.683 -0.222 -4.778 428 1HG GLU 56 2HG GLU 56 14.803 -1.181 -2.896 429 2HG GLU 56 1HG GLU 56 15.279 -0.091 -4.198 430 H LEU 57 H LEU 57 11.774 -3.027 -5.931 431 HA LEU 57 HA LEU 57 9.243 -1.816 -6.136 432 1HB LEU 57 2HB LEU 57 8.802 -3.287 -7.937 433 2HB LEU 57 1HB LEU 57 10.496 -2.871 -8.015 434 HG LEU 57 HG LEU 57 10.722 -5.179 -6.671 435 1HD1 LEU 57 1HD1 LEU 57 9.005 -6.708 -7.977 436 2HD1 LEU 57 2HD1 LEU 57 8.040 -5.234 -8.023 437 3HD1 LEU 57 3HD1 LEU 57 8.518 -5.926 -6.474 438 1HD2 LEU 57 1HD2 LEU 57 11.746 -4.572 -8.862 439 2HD2 LEU 57 2HD2 LEU 57 10.233 -4.996 -9.661 440 3HD2 LEU 57 3HD2 LEU 57 11.171 -6.239 -8.835 441 H GLN 58 H GLN 58 10.247 -4.925 -4.751 442 HA GLN 58 HA GLN 58 7.641 -5.941 -4.265 443 1HB GLN 58 2HB GLN 58 10.384 -6.623 -3.430 444 2HB GLN 58 1HB GLN 58 9.136 -7.052 -2.261 445 1HG GLN 58 2HG GLN 58 8.909 -7.740 -5.198 446 2HG GLN 58 1HG GLN 58 9.663 -8.823 -4.029 447 1HE2 GLN 58 1HE2 GLN 58 6.663 -7.924 -5.398 448 2HE2 GLN 58 2HE2 GLN 58 5.650 -8.695 -4.275 449 H GLU 59 H GLU 59 9.772 -3.802 -2.431 450 HA GLU 59 HA GLU 59 8.277 -3.822 -0.007 451 1HB GLU 59 2HB GLU 59 10.454 -2.167 -1.162 452 2HB GLU 59 1HB GLU 59 9.460 -1.397 0.076 453 1HG GLU 59 2HG GLU 59 10.556 -4.171 0.507 454 2HG GLU 59 1HG GLU 59 11.553 -2.753 0.832 455 H MET 60 H MET 60 8.043 -1.952 -2.995 456 HA MET 60 HA MET 60 6.202 -0.001 -1.974 457 1HB MET 60 2HB MET 60 6.640 -0.829 -4.854 458 2HB MET 60 1HB MET 60 5.872 0.655 -4.292 459 1HG MET 60 2HG MET 60 8.160 0.964 -2.992 460 2HG MET 60 1HG MET 60 8.764 -0.117 -4.246 461 1HE MET 60 1HE MET 60 10.293 1.149 -5.318 462 2HE MET 60 2HE MET 60 10.217 2.630 -4.368 463 3HE MET 60 3HE MET 60 10.119 2.713 -6.125 464 H ILE 61 H ILE 61 5.897 -2.974 -3.862 465 HA ILE 61 HA ILE 61 3.058 -2.860 -4.128 466 HB ILE 61 HB ILE 61 4.856 -5.295 -4.259 467 1HG1 ILE 61 2HG1 ILE 61 3.811 -4.095 -6.746 468 2HG1 ILE 61 1HG1 ILE 61 4.956 -3.064 -5.883 469 1HG2 ILE 61 1HG2 ILE 61 2.885 -6.382 -4.429 470 2HG2 ILE 61 2HG2 ILE 61 2.656 -5.559 -5.972 471 3HG2 ILE 61 3HG2 ILE 61 1.982 -4.869 -4.495 472 1HD1 ILE 61 1HD1 ILE 61 5.425 -5.576 -7.332 473 2HD1 ILE 61 2HD1 ILE 61 6.163 -5.540 -5.731 474 3HD1 ILE 61 3HD1 ILE 61 6.557 -4.292 -6.913 475 H ASP 62 H ASP 62 5.222 -4.627 -1.921 476 HA ASP 62 HA ASP 62 3.340 -6.057 -0.457 477 1HB ASP 62 2HB ASP 62 5.838 -6.228 -0.227 478 2HB ASP 62 1HB ASP 62 5.799 -4.738 0.714 479 H GLU 63 H GLU 63 4.300 -2.662 -0.152 480 HA GLU 63 HA GLU 63 2.891 -2.150 2.278 481 1HB GLU 63 2HB GLU 63 4.003 -0.376 0.112 482 2HB GLU 63 1HB GLU 63 3.080 0.284 1.462 483 1HG GLU 63 2HG GLU 63 5.345 -1.611 2.013 484 2HG GLU 63 1HG GLU 63 5.697 0.078 1.652 485 H VAL 64 H VAL 64 2.112 -1.436 -1.144 486 HA VAL 64 HA VAL 64 -0.483 -0.392 -0.556 487 HB VAL 64 HB VAL 64 0.714 0.224 -2.613 488 1HG1 VAL 64 1HG1 VAL 64 0.211 -2.654 -3.431 489 2HG1 VAL 64 2HG1 VAL 64 1.785 -1.942 -3.080 490 3HG1 VAL 64 3HG1 VAL 64 0.861 -1.391 -4.476 491 1HG2 VAL 64 1HG2 VAL 64 -1.704 -1.287 -3.543 492 2HG2 VAL 64 2HG2 VAL 64 -1.196 0.355 -3.936 493 3HG2 VAL 64 3HG2 VAL 64 -1.903 0.002 -2.359 494 H ASP 65 H ASP 65 0.713 -3.615 -1.369 495 HA ASP 65 HA ASP 65 -1.872 -4.774 -1.819 496 1HB ASP 65 2HB ASP 65 0.735 -5.621 -2.219 497 2HB ASP 65 1HB ASP 65 0.192 -6.629 -0.881 498 H GLU 66 H GLU 66 -3.343 -4.785 -0.252 499 HA GLU 66 HA GLU 66 -2.678 -4.836 2.550 500 1HB GLU 66 2HB GLU 66 -5.387 -5.355 1.301 501 2HB GLU 66 1HB GLU 66 -5.052 -4.822 2.948 502 1HG GLU 66 2HG GLU 66 -4.168 -2.704 2.131 503 2HG GLU 66 1HG GLU 66 -4.349 -3.240 0.462 504 H ASP 67 H ASP 67 -3.939 -7.154 0.203 505 HA ASP 67 HA ASP 67 -4.108 -9.287 2.170 506 1HB ASP 67 2HB ASP 67 -4.684 -10.689 0.114 507 2HB ASP 67 1HB ASP 67 -5.810 -9.399 0.527 508 H GLY 68 H GLY 68 -1.998 -8.380 -0.532 509 1HA GLY 68 2HA GLY 68 0.180 -9.002 -0.995 510 2HA GLY 68 1HA GLY 68 0.218 -9.843 0.553 511 H SER 69 H SER 69 -1.807 -10.212 -2.347 512 HA SER 69 HA SER 69 -1.550 -13.107 -2.220 513 1HB SER 69 2HB SER 69 -3.170 -13.068 -4.108 514 2HB SER 69 1HB SER 69 -3.737 -12.181 -2.696 515 HG SER 69 HG SER 69 -3.875 -10.521 -3.971 516 H GLY 70 H GLY 70 0.629 -11.007 -3.337 517 1HA GLY 70 2HA GLY 70 2.382 -11.236 -4.821 518 2HA GLY 70 1HA GLY 70 1.780 -12.847 -5.198 519 H THR 71 H THR 71 -0.294 -10.058 -5.464 520 HA THR 71 HA THR 71 0.111 -9.722 -8.327 521 HB THR 71 HB THR 71 -2.117 -10.298 -9.000 522 HG1 THR 71 HG1 THR 71 -2.628 -10.796 -6.251 523 1HG2 THR 71 1HG2 THR 71 -0.593 -12.222 -8.790 524 2HG2 THR 71 2HG2 THR 71 -2.254 -12.695 -8.431 525 3HG2 THR 71 3HG2 THR 71 -1.104 -12.446 -7.117 526 H VAL 72 H VAL 72 -0.483 -7.689 -9.000 527 HA VAL 72 HA VAL 72 -1.448 -5.879 -6.896 528 HB VAL 72 HB VAL 72 -0.476 -5.090 -9.641 529 1HG1 VAL 72 1HG1 VAL 72 -0.371 -2.922 -8.780 530 2HG1 VAL 72 2HG1 VAL 72 -0.290 -3.482 -7.109 531 3HG1 VAL 72 3HG1 VAL 72 -1.817 -3.551 -7.989 532 1HG2 VAL 72 1HG2 VAL 72 1.432 -6.157 -8.805 533 2HG2 VAL 72 2HG2 VAL 72 1.031 -5.774 -7.130 534 3HG2 VAL 72 3HG2 VAL 72 1.645 -4.513 -8.201 535 H ASP 73 H ASP 73 -3.475 -5.287 -6.809 536 HA ASP 73 HA ASP 73 -5.329 -5.846 -8.987 537 1HB ASP 73 2HB ASP 73 -5.756 -4.557 -6.269 538 2HB ASP 73 1HB ASP 73 -7.038 -4.964 -7.408 539 H PHE 74 H PHE 74 -6.846 -4.047 -9.709 540 HA PHE 74 HA PHE 74 -5.372 -1.879 -10.737 541 1HB PHE 74 2HB PHE 74 -7.588 -2.755 -11.620 542 2HB PHE 74 1HB PHE 74 -8.364 -1.832 -10.333 543 HD1 PHE 74 HD1 PHE 74 -5.393 -1.096 -12.492 544 HD2 PHE 74 HD2 PHE 74 -9.355 0.047 -11.303 545 HE1 PHE 74 HE1 PHE 74 -5.221 0.951 -13.880 546 HE2 PHE 74 HE2 PHE 74 -9.181 2.097 -12.685 547 HZ PHE 74 HZ PHE 74 -7.116 2.548 -13.976 548 H ASP 75 H ASP 75 -7.255 -2.228 -7.773 549 HA ASP 75 HA ASP 75 -7.267 0.537 -7.049 550 1HB ASP 75 2HB ASP 75 -8.717 -1.338 -6.051 551 2HB ASP 75 1HB ASP 75 -7.302 -1.759 -5.086 552 H GLU 76 H GLU 76 -5.147 -2.217 -6.297 553 HA GLU 76 HA GLU 76 -3.345 -0.752 -4.620 554 1HB GLU 76 2HB GLU 76 -2.838 -3.310 -6.169 555 2HB GLU 76 1HB GLU 76 -1.890 -2.706 -4.811 556 1HG GLU 76 2HG GLU 76 -3.735 -2.999 -3.289 557 2HG GLU 76 1HG GLU 76 -4.850 -3.327 -4.610 558 H PHE 77 H PHE 77 -3.690 -1.240 -8.046 559 HA PHE 77 HA PHE 77 -1.066 -0.528 -8.881 560 1HB PHE 77 2HB PHE 77 -3.230 -1.587 -10.123 561 2HB PHE 77 1HB PHE 77 -3.386 0.085 -10.634 562 HD1 PHE 77 HD1 PHE 77 -3.058 -0.695 -12.943 563 HD2 PHE 77 HD2 PHE 77 0.015 -1.157 -9.966 564 HE1 PHE 77 HE1 PHE 77 -1.385 -1.090 -14.717 565 HE2 PHE 77 HE2 PHE 77 1.681 -1.544 -11.754 566 HZ PHE 77 HZ PHE 77 0.977 -1.517 -14.131 567 H LEU 78 H LEU 78 -4.136 1.287 -8.822 568 HA LEU 78 HA LEU 78 -2.970 3.782 -9.571 569 1HB LEU 78 2HB LEU 78 -5.619 2.894 -8.535 570 2HB LEU 78 1HB LEU 78 -5.225 4.599 -8.446 571 HG LEU 78 HG LEU 78 -5.142 4.808 -10.806 572 1HD1 LEU 78 1HD1 LEU 78 -5.303 1.790 -11.027 573 2HD1 LEU 78 2HD1 LEU 78 -3.803 2.708 -11.163 574 3HD1 LEU 78 3HD1 LEU 78 -5.089 2.942 -12.345 575 1HD2 LEU 78 1HD2 LEU 78 -7.333 4.086 -11.486 576 2HD2 LEU 78 2HD2 LEU 78 -7.425 4.432 -9.760 577 3HD2 LEU 78 3HD2 LEU 78 -7.323 2.763 -10.318 578 H VAL 79 H VAL 79 -3.554 2.195 -6.487 579 HA VAL 79 HA VAL 79 -3.268 4.439 -4.787 580 HB VAL 79 HB VAL 79 -3.022 1.474 -4.447 581 1HG1 VAL 79 1HG1 VAL 79 -2.413 1.839 -2.046 582 2HG1 VAL 79 2HG1 VAL 79 -2.095 3.534 -2.422 583 3HG1 VAL 79 3HG1 VAL 79 -1.118 2.265 -3.167 584 1HG2 VAL 79 1HG2 VAL 79 -5.166 2.903 -4.299 585 2HG2 VAL 79 2HG2 VAL 79 -4.517 3.495 -2.770 586 3HG2 VAL 79 3HG2 VAL 79 -4.857 1.777 -2.978 587 H MET 80 H MET 80 -0.906 2.012 -5.896 588 HA MET 80 HA MET 80 1.395 2.791 -4.655 589 1HB MET 80 2HB MET 80 0.774 1.189 -6.855 590 2HB MET 80 1HB MET 80 1.929 2.365 -7.480 591 1HG MET 80 2HG MET 80 3.601 1.722 -5.965 592 2HG MET 80 1HG MET 80 2.441 0.998 -4.851 593 1HE MET 80 1HE MET 80 3.892 -0.643 -8.872 594 2HE MET 80 2HE MET 80 4.921 0.289 -7.788 595 3HE MET 80 3HE MET 80 3.477 1.030 -8.474 596 H MET 81 H MET 81 -0.214 4.487 -7.319 597 HA MET 81 HA MET 81 1.926 6.267 -7.933 598 1HB MET 81 2HB MET 81 0.077 5.931 -9.500 599 2HB MET 81 1HB MET 81 -1.058 6.610 -8.336 600 1HG MET 81 2HG MET 81 -0.288 8.231 -10.122 601 2HG MET 81 1HG MET 81 -0.020 8.780 -8.468 602 1HE MET 81 1HE MET 81 3.054 7.200 -11.477 603 2HE MET 81 2HE MET 81 1.304 7.299 -11.646 604 3HE MET 81 3HE MET 81 2.013 6.063 -10.610 605 H VAL 82 H VAL 82 -1.103 6.837 -6.096 606 HA VAL 82 HA VAL 82 -0.356 9.386 -5.121 607 HB VAL 82 HB VAL 82 -2.134 9.059 -3.418 608 1HG1 VAL 82 1HG1 VAL 82 -2.693 9.832 -5.693 609 2HG1 VAL 82 2HG1 VAL 82 -3.985 8.831 -5.031 610 3HG1 VAL 82 3HG1 VAL 82 -2.868 8.157 -6.219 611 1HG2 VAL 82 1HG2 VAL 82 -1.665 6.576 -3.150 612 2HG2 VAL 82 2HG2 VAL 82 -2.510 6.330 -4.678 613 3HG2 VAL 82 3HG2 VAL 82 -3.372 7.001 -3.292 614 H ARG 83 H ARG 83 0.344 6.146 -3.999 615 HA ARG 83 HA ARG 83 1.113 6.626 -1.353 616 1HB ARG 83 2HB ARG 83 2.019 4.624 -3.412 617 2HB ARG 83 1HB ARG 83 2.762 4.677 -1.813 618 1HG ARG 83 2HG ARG 83 -0.131 4.803 -1.602 619 2HG ARG 83 1HG ARG 83 0.367 3.379 -2.515 620 1HD ARG 83 2HD ARG 83 0.282 2.849 -0.127 621 2HD ARG 83 1HD ARG 83 1.943 2.780 -0.703 622 HE ARG 83 HE ARG 83 1.236 5.359 0.391 623 1HH1 ARG 83 2HH1 ARG 83 2.295 2.118 1.152 624 2HH1 ARG 83 1HH1 ARG 83 3.080 2.585 2.621 625 1HH2 ARG 83 1HH2 ARG 83 2.274 5.949 2.316 626 2HH2 ARG 83 2HH2 ARG 83 3.069 4.750 3.281 627 H CYS 84 H CYS 84 2.881 7.059 -4.384 628 HA CYS 84 HA CYS 84 5.422 7.648 -3.242 629 1HB CYS 84 2HB CYS 84 4.206 8.408 -5.909 630 2HB CYS 84 1HB CYS 84 5.877 8.751 -5.462 631 HG CYS 84 HG CYS 84 4.720 5.860 -5.770 632 H MET 85 H MET 85 2.680 9.670 -4.246 633 HA MET 85 HA MET 85 3.886 12.182 -3.689 634 1HB MET 85 2HB MET 85 1.777 11.753 -5.063 635 2HB MET 85 1HB MET 85 0.927 11.593 -3.527 636 1HG MET 85 2HG MET 85 2.047 13.889 -2.957 637 2HG MET 85 1HG MET 85 2.261 14.022 -4.702 638 1HE MET 85 1HE MET 85 0.885 13.916 -6.292 639 2HE MET 85 2HE MET 85 -0.356 15.163 -6.205 640 3HE MET 85 3HE MET 85 -0.826 13.467 -6.281 641 H LYS 86 H LYS 86 1.741 10.065 -1.778 642 HA LYS 86 HA LYS 86 1.454 9.848 0.494 643 1HB LYS 86 2HB LYS 86 4.070 10.469 0.355 644 2HB LYS 86 1HB LYS 86 3.487 11.906 1.194 645 1HG LYS 86 2HG LYS 86 3.747 10.600 3.050 646 2HG LYS 86 1HG LYS 86 2.166 9.978 2.579 647 1HD LYS 86 2HD LYS 86 3.141 8.091 1.465 648 2HD LYS 86 1HD LYS 86 4.760 8.778 1.585 649 1HE LYS 86 2HE LYS 86 4.061 8.759 4.208 650 2HE LYS 86 1HE LYS 86 3.151 7.361 3.636 651 1HZ LYS 86 1HZ LYS 86 5.220 6.530 2.626 652 2HZ LYS 86 2HZ LYS 86 5.328 6.673 4.316 653 3HZ LYS 86 3HZ LYS 86 6.066 7.830 3.313 654 H ASP 87 H ASP 87 0.547 11.018 2.327 655 HA ASP 87 HA ASP 87 -1.254 13.049 1.563 656 1HB ASP 87 2HB ASP 87 -1.663 11.561 3.486 657 2HB ASP 87 1HB ASP 87 -0.326 12.316 4.353 658 H ASP 88 H ASP 88 1.877 13.182 3.228 659 HA ASP 88 HA ASP 88 3.376 14.889 3.530 660 1HB ASP 88 2HB ASP 88 2.680 15.395 1.097 661 2HB ASP 88 1HB ASP 88 1.680 16.672 1.790 662 H SER 89 HN SER 89 3.215 15.438 5.613 663 HA SER 89 HA SER 89 2.704 16.652 7.488 664 1HB SER 89 2HB SER 89 2.802 18.510 5.576 665 2HB SER 89 1HB SER 89 1.089 18.639 5.960 666 HG SER 89 HG SER 89 2.393 20.003 7.270 Start of MODEL 4 1 1H MET 1 1H MET 1 -7.400 0.266 8.857 2 2H MET 1 2H MET 1 -6.214 0.377 7.646 3 3H MET 1 3H MET 1 -7.804 0.889 7.332 4 HA MET 1 HA MET 1 -7.586 2.673 8.943 5 1HB MET 1 2HB MET 1 -4.996 1.253 9.411 6 2HB MET 1 1HB MET 1 -5.005 3.011 9.561 7 1HG MET 1 2HG MET 1 -7.130 1.363 10.916 8 2HG MET 1 1HG MET 1 -5.551 1.576 11.672 9 1HE MET 1 1HE MET 1 -7.979 2.044 12.862 10 2HE MET 1 2HE MET 1 -8.692 3.651 12.975 11 3HE MET 1 3HE MET 1 -7.227 3.280 13.879 12 H ASN 2 H ASN 2 -6.340 4.710 8.459 13 HA ASN 2 HA ASN 2 -5.590 6.282 6.973 14 1HB ASN 2 2HB ASN 2 -4.062 3.863 6.199 15 2HB ASN 2 1HB ASN 2 -4.143 5.152 4.999 16 1HD2 ASN 2 1HD2 ASN 2 -3.863 5.126 8.606 17 2HD2 ASN 2 2HD2 ASN 2 -2.533 6.178 8.647 18 H ASP 3 H ASP 3 -7.613 6.814 6.252 19 HA ASP 3 HA ASP 3 -8.586 5.497 3.796 20 1HB ASP 3 2HB ASP 3 -9.899 7.147 5.931 21 2HB ASP 3 1HB ASP 3 -10.634 7.037 4.331 22 H ILE 4 H ILE 4 -6.383 7.672 4.168 23 HA ILE 4 HA ILE 4 -7.464 9.931 2.707 24 HB ILE 4 HB ILE 4 -5.167 10.814 2.771 25 1HG1 ILE 4 2HG1 ILE 4 -3.685 9.227 4.407 26 2HG1 ILE 4 1HG1 ILE 4 -4.581 7.994 3.522 27 1HG2 ILE 4 1HG2 ILE 4 -6.120 9.630 5.397 28 2HG2 ILE 4 2HG2 ILE 4 -6.627 11.172 4.709 29 3HG2 ILE 4 3HG2 ILE 4 -4.960 10.950 5.241 30 1HD1 ILE 4 1HD1 ILE 4 -3.727 8.700 1.435 31 2HD1 ILE 4 2HD1 ILE 4 -2.336 8.797 2.515 32 3HD1 ILE 4 3HD1 ILE 4 -3.215 10.261 2.076 33 H TYR 5 H TYR 5 -5.714 6.994 2.005 34 HA TYR 5 HA TYR 5 -4.759 7.694 -0.587 35 1HB TYR 5 2HB TYR 5 -5.424 4.949 0.514 36 2HB TYR 5 1HB TYR 5 -4.454 5.282 -0.920 37 HD1 TYR 5 HD1 TYR 5 -4.513 5.192 2.731 38 HD2 TYR 5 HD2 TYR 5 -2.245 6.442 -0.703 39 HE1 TYR 5 HE1 TYR 5 -2.497 5.442 4.145 40 HE2 TYR 5 HE2 TYR 5 -0.235 6.693 0.720 41 HH TYR 5 HH TYR 5 -0.114 7.116 3.669 42 H LYS 6 H LYS 6 -7.776 6.361 0.650 43 HA LYS 6 HA LYS 6 -8.900 5.678 -1.897 44 1HB LYS 6 2HB LYS 6 -9.594 5.111 0.680 45 2HB LYS 6 1HB LYS 6 -10.769 6.365 0.285 46 1HG LYS 6 2HG LYS 6 -11.807 4.337 -0.384 47 2HG LYS 6 1HG LYS 6 -11.200 5.044 -1.881 48 1HD LYS 6 2HD LYS 6 -10.511 2.784 -2.001 49 2HD LYS 6 1HD LYS 6 -9.070 3.638 -1.453 50 1HE LYS 6 2HE LYS 6 -10.156 3.116 0.945 51 2HE LYS 6 1HE LYS 6 -10.851 1.770 0.042 52 1HZ LYS 6 1HZ LYS 6 -8.694 1.231 1.045 53 2HZ LYS 6 2HZ LYS 6 -7.960 2.448 0.115 54 3HZ LYS 6 3HZ LYS 6 -8.662 1.101 -0.647 55 H ALA 7 H ALA 7 -8.863 8.563 0.123 56 HA ALA 7 HA ALA 7 -10.875 9.980 -1.354 57 1HB ALA 7 1HB ALA 7 -10.498 10.706 0.887 58 2HB ALA 7 2HB ALA 7 -9.884 11.992 -0.152 59 3HB ALA 7 3HB ALA 7 -8.763 10.868 0.616 60 H ALA 8 H ALA 8 -7.458 9.435 -1.748 61 HA ALA 8 HA ALA 8 -7.083 11.660 -3.586 62 1HB ALA 8 1HB ALA 8 -5.265 10.852 -2.057 63 2HB ALA 8 2HB ALA 8 -4.800 10.894 -3.758 64 3HB ALA 8 3HB ALA 8 -5.212 9.358 -2.993 65 H VAL 9 H VAL 9 -7.295 8.115 -3.750 66 HA VAL 9 HA VAL 9 -6.789 7.867 -6.516 67 HB VAL 9 HB VAL 9 -6.749 5.966 -4.898 68 1HG1 VAL 9 1HG1 VAL 9 -9.765 6.219 -5.098 69 2HG1 VAL 9 2HG1 VAL 9 -8.790 6.468 -3.650 70 3HG1 VAL 9 3HG1 VAL 9 -8.908 4.862 -4.366 71 1HG2 VAL 9 1HG2 VAL 9 -7.266 4.408 -6.538 72 2HG2 VAL 9 2HG2 VAL 9 -7.166 5.873 -7.514 73 3HG2 VAL 9 3HG2 VAL 9 -8.739 5.249 -7.022 74 H GLU 10 H GLU 10 -9.693 8.779 -4.764 75 HA GLU 10 HA GLU 10 -11.485 8.335 -6.969 76 1HB GLU 10 2HB GLU 10 -13.139 9.508 -5.613 77 2HB GLU 10 1HB GLU 10 -12.269 8.331 -4.630 78 1HG GLU 10 2HG GLU 10 -11.155 9.949 -3.422 79 2HG GLU 10 1HG GLU 10 -11.196 11.119 -4.739 80 H GLN 11 H GLN 11 -9.232 10.830 -6.160 81 HA GLN 11 HA GLN 11 -10.617 12.899 -7.684 82 1HB GLN 11 2HB GLN 11 -7.747 13.142 -6.855 83 2HB GLN 11 1HB GLN 11 -8.987 14.389 -6.965 84 1HG GLN 11 2HG GLN 11 -10.166 13.204 -5.042 85 2HG GLN 11 1HG GLN 11 -8.696 12.248 -4.857 86 1HE2 GLN 11 1HE2 GLN 11 -8.121 13.198 -2.786 87 2HE2 GLN 11 2HE2 GLN 11 -7.619 14.814 -2.653 88 H LEU 12 H LEU 12 -8.371 10.380 -8.253 89 HA LEU 12 HA LEU 12 -6.708 11.196 -10.256 90 1HB LEU 12 2HB LEU 12 -8.267 8.621 -10.159 91 2HB LEU 12 1HB LEU 12 -6.907 8.918 -11.214 92 HG LEU 12 HG LEU 12 -6.944 8.502 -8.245 93 1HD1 LEU 12 1HD1 LEU 12 -4.723 7.325 -9.459 94 2HD1 LEU 12 2HD1 LEU 12 -6.015 7.145 -10.649 95 3HD1 LEU 12 3HD1 LEU 12 -6.224 6.511 -9.016 96 1HD2 LEU 12 1HD2 LEU 12 -4.923 10.042 -9.877 97 2HD2 LEU 12 2HD2 LEU 12 -4.444 9.175 -8.418 98 3HD2 LEU 12 3HD2 LEU 12 -5.636 10.472 -8.320 99 H THR 13 H THR 13 -6.765 11.572 -12.404 100 HA THR 13 HA THR 13 -9.341 12.240 -13.585 101 HB THR 13 HB THR 13 -7.513 12.567 -15.602 102 HG1 THR 13 HG1 THR 13 -5.597 12.870 -14.817 103 1HG2 THR 13 1HG2 THR 13 -7.337 14.962 -14.335 104 2HG2 THR 13 2HG2 THR 13 -8.743 14.269 -13.527 105 3HG2 THR 13 3HG2 THR 13 -8.734 14.448 -15.282 106 H ASP 14 H ASP 14 -9.541 11.629 -16.011 107 HA ASP 14 HA ASP 14 -9.765 8.767 -16.147 108 1HB ASP 14 2HB ASP 14 -10.144 10.901 -18.266 109 2HB ASP 14 1HB ASP 14 -10.509 9.189 -18.497 110 H GLU 15 H GLU 15 -7.497 11.188 -17.270 111 HA GLU 15 HA GLU 15 -6.091 9.519 -19.117 112 1HB GLU 15 2HB GLU 15 -4.470 11.270 -19.224 113 2HB GLU 15 1HB GLU 15 -6.042 12.050 -19.054 114 1HG GLU 15 2HG GLU 15 -5.444 11.865 -16.460 115 2HG GLU 15 1HG GLU 15 -3.797 11.860 -17.091 116 H GLN 16 H GLN 16 -5.801 10.148 -15.656 117 HA GLN 16 HA GLN 16 -3.287 8.776 -15.364 118 1HB GLN 16 2HB GLN 16 -4.513 10.541 -13.777 119 2HB GLN 16 1HB GLN 16 -5.151 9.068 -13.049 120 1HG GLN 16 2HG GLN 16 -2.211 9.690 -13.491 121 2HG GLN 16 1HG GLN 16 -3.052 9.744 -11.943 122 1HE2 GLN 16 1HE2 GLN 16 -4.477 7.468 -11.764 123 2HE2 GLN 16 2HE2 GLN 16 -3.511 6.091 -11.974 124 H LYS 17 H LYS 17 -6.680 8.000 -14.542 125 HA LYS 17 HA LYS 17 -6.305 5.388 -13.625 126 1HB LYS 17 2HB LYS 17 -8.619 6.701 -15.053 127 2HB LYS 17 1HB LYS 17 -8.686 5.020 -14.523 128 1HG LYS 17 2HG LYS 17 -8.754 5.578 -12.296 129 2HG LYS 17 1HG LYS 17 -7.754 7.013 -12.517 130 1HD LYS 17 2HD LYS 17 -9.801 8.019 -12.125 131 2HD LYS 17 1HD LYS 17 -9.873 7.862 -13.880 132 1HE LYS 17 2HE LYS 17 -11.386 6.105 -13.801 133 2HE LYS 17 1HE LYS 17 -10.856 5.583 -12.202 134 1HZ LYS 17 1HZ LYS 17 -11.931 7.467 -11.219 135 2HZ LYS 17 2HZ LYS 17 -13.057 6.658 -12.200 136 3HZ LYS 17 3HZ LYS 17 -12.338 8.100 -12.739 137 H ASN 18 H ASN 18 -6.689 6.619 -16.935 138 HA ASN 18 HA ASN 18 -6.750 4.073 -18.225 139 1HB ASN 18 2HB ASN 18 -6.263 6.891 -19.135 140 2HB ASN 18 1HB ASN 18 -5.926 5.550 -20.228 141 1HD2 ASN 18 1HD2 ASN 18 -7.757 6.231 -21.608 142 2HD2 ASN 18 2HD2 ASN 18 -9.355 5.919 -21.128 143 H GLU 19 H GLU 19 -4.167 6.247 -17.214 144 HA GLU 19 HA GLU 19 -2.000 5.261 -18.660 145 1HB GLU 19 2HB GLU 19 -1.945 7.236 -17.116 146 2HB GLU 19 1HB GLU 19 -1.937 6.117 -15.753 147 1HG GLU 19 2HG GLU 19 0.153 5.117 -16.551 148 2HG GLU 19 1HG GLU 19 0.141 6.175 -17.963 149 H PHE 20 H PHE 20 -3.218 4.162 -15.482 150 HA PHE 20 HA PHE 20 -1.389 1.933 -15.380 151 1HB PHE 20 2HB PHE 20 -3.699 2.850 -13.692 152 2HB PHE 20 1HB PHE 20 -3.004 1.244 -13.461 153 HD1 PHE 20 HD1 PHE 20 -2.388 4.875 -13.224 154 HD2 PHE 20 HD2 PHE 20 -0.728 0.964 -12.631 155 HE1 PHE 20 HE1 PHE 20 -0.553 5.862 -11.891 156 HE2 PHE 20 HE2 PHE 20 1.108 1.940 -11.291 157 HZ PHE 20 HZ PHE 20 1.203 4.394 -10.921 158 H LYS 21 H LYS 21 -4.879 2.343 -15.980 159 HA LYS 21 HA LYS 21 -5.654 -0.310 -16.206 160 1HB LYS 21 2HB LYS 21 -7.214 1.607 -16.275 161 2HB LYS 21 1HB LYS 21 -6.655 1.988 -17.902 162 1HG LYS 21 2HG LYS 21 -7.483 -0.824 -17.505 163 2HG LYS 21 1HG LYS 21 -8.783 0.357 -17.351 164 1HD LYS 21 2HD LYS 21 -6.914 0.684 -19.654 165 2HD LYS 21 1HD LYS 21 -8.063 -0.651 -19.730 166 1HE LYS 21 2HE LYS 21 -9.086 2.036 -18.904 167 2HE LYS 21 1HE LYS 21 -8.720 1.776 -20.608 168 1HZ LYS 21 1HZ LYS 21 -10.132 -0.221 -20.526 169 2HZ LYS 21 2HZ LYS 21 -10.994 1.202 -20.184 170 3HZ LYS 21 3HZ LYS 21 -10.549 0.151 -18.925 171 H ALA 22 H ALA 22 -3.988 1.702 -18.601 172 HA ALA 22 HA ALA 22 -4.275 0.003 -20.840 173 1HB ALA 22 1HB ALA 22 -2.295 1.152 -21.741 174 2HB ALA 22 2HB ALA 22 -1.964 1.835 -20.150 175 3HB ALA 22 3HB ALA 22 -3.420 2.306 -21.026 176 H ALA 23 H ALA 23 -1.586 0.296 -18.514 177 HA ALA 23 HA ALA 23 -0.135 -1.960 -19.474 178 1HB ALA 23 1HB ALA 23 1.304 -1.635 -17.635 179 2HB ALA 23 2HB ALA 23 0.028 -0.920 -16.648 180 3HB ALA 23 3HB ALA 23 0.713 -0.014 -17.997 181 H PHE 24 H PHE 24 -2.637 -1.481 -17.058 182 HA PHE 24 HA PHE 24 -2.471 -3.970 -15.733 183 1HB PHE 24 2HB PHE 24 -3.827 -1.865 -15.091 184 2HB PHE 24 1HB PHE 24 -5.055 -2.482 -16.195 185 HD1 PHE 24 HD1 PHE 24 -6.019 -4.793 -15.803 186 HD2 PHE 24 HD2 PHE 24 -3.525 -2.807 -12.932 187 HE1 PHE 24 HE1 PHE 24 -6.818 -6.338 -14.040 188 HE2 PHE 24 HE2 PHE 24 -4.321 -4.347 -11.170 189 HZ PHE 24 HZ PHE 24 -5.974 -6.109 -11.719 190 H ASP 25 H ASP 25 -4.390 -2.892 -18.529 191 HA ASP 25 HA ASP 25 -5.848 -5.265 -18.936 192 1HB ASP 25 2HB ASP 25 -5.606 -2.770 -20.227 193 2HB ASP 25 1HB ASP 25 -5.261 -3.992 -21.451 194 H ILE 26 H ILE 26 -2.690 -4.256 -20.237 195 HA ILE 26 HA ILE 26 -2.429 -6.563 -21.927 196 HB ILE 26 HB ILE 26 -0.070 -5.830 -22.216 197 1HG1 ILE 26 2HG1 ILE 26 -0.869 -3.614 -20.297 198 2HG1 ILE 26 1HG1 ILE 26 0.253 -4.919 -19.919 199 1HG2 ILE 26 1HG2 ILE 26 -0.628 -3.936 -23.516 200 2HG2 ILE 26 2HG2 ILE 26 -1.905 -3.441 -22.406 201 3HG2 ILE 26 3HG2 ILE 26 -2.131 -4.856 -23.435 202 1HD1 ILE 26 1HD1 ILE 26 1.298 -3.949 -22.268 203 2HD1 ILE 26 2HD1 ILE 26 1.848 -3.484 -20.657 204 3HD1 ILE 26 3HD1 ILE 26 0.677 -2.480 -21.513 205 H PHE 27 H PHE 27 -1.214 -5.728 -18.684 206 HA PHE 27 HA PHE 27 0.416 -8.065 -18.441 207 1HB PHE 27 2HB PHE 27 -0.672 -6.146 -16.374 208 2HB PHE 27 1HB PHE 27 0.379 -7.504 -15.972 209 HD1 PHE 27 HD1 PHE 27 2.226 -7.550 -18.302 210 HD2 PHE 27 HD2 PHE 27 0.679 -4.231 -16.053 211 HE1 PHE 27 HE1 PHE 27 4.189 -6.192 -18.954 212 HE2 PHE 27 HE2 PHE 27 2.646 -2.875 -16.715 213 HZ PHE 27 HZ PHE 27 4.401 -3.855 -18.161 214 H ILE 28 H ILE 28 -2.969 -7.358 -17.658 215 HA ILE 28 HA ILE 28 -3.256 -10.031 -16.457 216 HB ILE 28 HB ILE 28 -5.427 -9.367 -15.700 217 1HG1 ILE 28 2HG1 ILE 28 -5.963 -6.789 -16.345 218 2HG1 ILE 28 1HG1 ILE 28 -5.133 -7.296 -17.817 219 1HG2 ILE 28 1HG2 ILE 28 -3.800 -6.856 -15.362 220 2HG2 ILE 28 2HG2 ILE 28 -3.282 -8.375 -14.634 221 3HG2 ILE 28 3HG2 ILE 28 -4.837 -7.669 -14.190 222 1HD1 ILE 28 1HD1 ILE 28 -7.218 -9.116 -16.682 223 2HD1 ILE 28 2HD1 ILE 28 -6.754 -8.852 -18.364 224 3HD1 ILE 28 3HD1 ILE 28 -7.753 -7.662 -17.526 225 H GLN 29 H GLN 29 -3.224 -8.898 -19.520 226 HA GLN 29 HA GLN 29 -5.540 -9.673 -20.810 227 1HB GLN 29 2HB GLN 29 -3.685 -8.597 -21.982 228 2HB GLN 29 1HB GLN 29 -2.687 -10.033 -21.761 229 1HG GLN 29 2HG GLN 29 -3.958 -11.308 -23.261 230 2HG GLN 29 1HG GLN 29 -5.363 -10.251 -23.121 231 1HE2 GLN 29 1HE2 GLN 29 -5.088 -7.993 -24.089 232 2HE2 GLN 29 2HE2 GLN 29 -4.069 -7.823 -25.435 233 H ASP 30 H ASP 30 -2.819 -11.719 -19.804 234 HA ASP 30 HA ASP 30 -4.294 -14.117 -20.677 235 1HB ASP 30 2HB ASP 30 -1.690 -13.512 -21.066 236 2HB ASP 30 1HB ASP 30 -1.569 -14.388 -19.540 237 H ALA 31 H ALA 31 -4.667 -12.393 -18.103 238 HA ALA 31 HA ALA 31 -4.216 -14.478 -16.080 239 1HB ALA 31 1HB ALA 31 -4.961 -12.640 -14.490 240 2HB ALA 31 2HB ALA 31 -4.909 -11.545 -15.871 241 3HB ALA 31 3HB ALA 31 -3.438 -12.353 -15.331 242 H GLU 32 H GLU 32 -5.892 -15.197 -14.739 243 HA GLU 32 HA GLU 32 -8.565 -15.048 -15.981 244 1HB GLU 32 2HB GLU 32 -7.207 -17.093 -14.246 245 2HB GLU 32 1HB GLU 32 -8.965 -17.054 -14.383 246 1HG GLU 32 2HG GLU 32 -7.211 -17.046 -16.839 247 2HG GLU 32 1HG GLU 32 -7.665 -18.556 -16.046 248 H ASP 33 H ASP 33 -6.809 -14.276 -13.061 249 HA ASP 33 HA ASP 33 -9.170 -13.946 -11.420 250 1HB ASP 33 2HB ASP 33 -6.253 -13.289 -11.012 251 2HB ASP 33 1HB ASP 33 -7.493 -12.866 -9.831 252 H GLY 34 H GLY 34 -7.059 -11.865 -13.340 253 1HA GLY 34 2HA GLY 34 -7.782 -9.808 -14.296 254 2HA GLY 34 1HA GLY 34 -9.001 -9.674 -13.031 255 H CYS 35 H CYS 35 -5.518 -10.321 -12.814 256 HA CYS 35 HA CYS 35 -4.975 -7.702 -11.660 257 1HB CYS 35 2HB CYS 35 -3.854 -8.822 -9.653 258 2HB CYS 35 1HB CYS 35 -5.615 -8.768 -9.632 259 HG CYS 35 HG CYS 35 -4.258 -11.353 -10.715 260 H ILE 36 H ILE 36 -2.720 -7.237 -11.542 261 HA ILE 36 HA ILE 36 -1.166 -8.789 -13.470 262 HB ILE 36 HB ILE 36 0.368 -6.973 -13.542 263 1HG1 ILE 36 2HG1 ILE 36 -0.375 -5.030 -11.740 264 2HG1 ILE 36 1HG1 ILE 36 -0.616 -6.504 -10.802 265 1HG2 ILE 36 1HG2 ILE 36 -1.056 -5.061 -14.034 266 2HG2 ILE 36 2HG2 ILE 36 -2.363 -5.744 -13.069 267 3HG2 ILE 36 3HG2 ILE 36 -1.867 -6.533 -14.566 268 1HD1 ILE 36 1HD1 ILE 36 1.717 -5.534 -10.648 269 2HD1 ILE 36 2HD1 ILE 36 1.916 -5.919 -12.358 270 3HD1 ILE 36 3HD1 ILE 36 1.655 -7.213 -11.187 271 H SER 37 H SER 37 1.216 -9.142 -12.924 272 HA SER 37 HA SER 37 1.315 -10.532 -10.348 273 1HB SER 37 2HB SER 37 2.196 -11.286 -12.814 274 2HB SER 37 1HB SER 37 3.677 -10.648 -12.110 275 HG SER 37 HG SER 37 2.136 -12.844 -11.385 276 H THR 38 H THR 38 2.091 -9.521 -8.636 277 HA THR 38 HA THR 38 3.410 -7.048 -8.582 278 HB THR 38 HB THR 38 4.035 -7.614 -6.257 279 HG1 THR 38 HG1 THR 38 4.267 -9.621 -5.750 280 1HG2 THR 38 1HG2 THR 38 1.827 -6.811 -6.435 281 2HG2 THR 38 2HG2 THR 38 1.650 -8.310 -5.526 282 3HG2 THR 38 3HG2 THR 38 1.268 -8.271 -7.247 283 H LYS 39 H LYS 39 4.704 -10.350 -8.639 284 HA LYS 39 HA LYS 39 7.439 -9.661 -8.305 285 1HB LYS 39 2HB LYS 39 7.926 -11.900 -9.219 286 2HB LYS 39 1HB LYS 39 6.660 -11.965 -7.995 287 1HG LYS 39 2HG LYS 39 5.278 -11.528 -10.389 288 2HG LYS 39 1HG LYS 39 6.533 -12.690 -10.815 289 1HD LYS 39 2HD LYS 39 4.788 -13.033 -8.370 290 2HD LYS 39 1HD LYS 39 4.328 -13.667 -9.948 291 1HE LYS 39 2HE LYS 39 5.981 -15.271 -9.946 292 2HE LYS 39 1HE LYS 39 7.083 -14.285 -8.985 293 1HZ LYS 39 1HZ LYS 39 6.268 -16.124 -7.685 294 2HZ LYS 39 2HZ LYS 39 4.656 -15.683 -7.993 295 3HZ LYS 39 3HZ LYS 39 5.652 -14.675 -7.054 296 H GLU 40 H GLU 40 5.279 -9.545 -11.039 297 HA GLU 40 HA GLU 40 7.511 -9.067 -12.899 298 1HB GLU 40 2HB GLU 40 4.561 -9.544 -13.391 299 2HB GLU 40 1HB GLU 40 5.732 -9.181 -14.657 300 1HG GLU 40 2HG GLU 40 6.344 -11.418 -12.761 301 2HG GLU 40 1HG GLU 40 5.145 -11.697 -14.024 302 H LEU 41 H LEU 41 6.188 -7.185 -10.756 303 HA LEU 41 HA LEU 41 4.916 -5.060 -12.101 304 1HB LEU 41 2HB LEU 41 5.251 -5.552 -9.546 305 2HB LEU 41 1HB LEU 41 6.691 -4.581 -9.738 306 HG LEU 41 HG LEU 41 4.602 -3.406 -8.867 307 1HD1 LEU 41 1HD1 LEU 41 6.705 -2.467 -10.276 308 2HD1 LEU 41 2HD1 LEU 41 5.406 -1.431 -9.687 309 3HD1 LEU 41 3HD1 LEU 41 5.394 -1.994 -11.357 310 1HD2 LEU 41 1HD2 LEU 41 3.718 -3.129 -11.707 311 2HD2 LEU 41 2HD2 LEU 41 2.769 -3.042 -10.223 312 3HD2 LEU 41 3HD2 LEU 41 3.274 -4.608 -10.858 313 H GLY 42 H GLY 42 8.257 -6.026 -11.999 314 1HA GLY 42 2HA GLY 42 9.622 -3.640 -12.431 315 2HA GLY 42 1HA GLY 42 10.117 -5.201 -13.075 316 H LYS 43 H LYS 43 7.721 -5.592 -14.685 317 HA LYS 43 HA LYS 43 8.523 -4.297 -17.093 318 1HB LYS 43 2HB LYS 43 5.927 -5.727 -16.453 319 2HB LYS 43 1HB LYS 43 6.485 -5.290 -18.068 320 1HG LYS 43 2HG LYS 43 8.360 -6.774 -17.921 321 2HG LYS 43 1HG LYS 43 8.103 -7.032 -16.195 322 1HD LYS 43 2HD LYS 43 7.002 -8.904 -16.895 323 2HD LYS 43 1HD LYS 43 5.674 -7.779 -17.174 324 1HE LYS 43 2HE LYS 43 6.503 -7.454 -19.514 325 2HE LYS 43 1HE LYS 43 7.721 -8.695 -19.215 326 1HZ LYS 43 1HZ LYS 43 5.894 -10.235 -18.667 327 2HZ LYS 43 2HZ LYS 43 5.832 -9.683 -20.272 328 3HZ LYS 43 3HZ LYS 43 4.774 -9.039 -19.110 329 H VAL 44 H VAL 44 6.234 -3.517 -14.588 330 HA VAL 44 HA VAL 44 4.976 -1.386 -16.152 331 HB VAL 44 HB VAL 44 4.353 -1.641 -13.265 332 1HG1 VAL 44 1HG1 VAL 44 2.222 -1.838 -15.268 333 2HG1 VAL 44 2HG1 VAL 44 3.255 -0.427 -15.495 334 3HG1 VAL 44 3HG1 VAL 44 2.430 -0.678 -13.956 335 1HG2 VAL 44 1HG2 VAL 44 2.701 -3.586 -14.303 336 2HG2 VAL 44 2HG2 VAL 44 4.146 -3.907 -13.345 337 3HG2 VAL 44 3HG2 VAL 44 4.231 -3.948 -15.104 338 H MET 45 H MET 45 7.137 -1.892 -13.418 339 HA MET 45 HA MET 45 7.320 0.701 -12.408 340 1HB MET 45 2HB MET 45 8.423 -0.856 -11.090 341 2HB MET 45 1HB MET 45 9.132 -1.682 -12.474 342 1HG MET 45 2HG MET 45 10.021 1.117 -12.091 343 2HG MET 45 1HG MET 45 10.517 -0.011 -10.831 344 1HE MET 45 1HE MET 45 12.899 -2.103 -11.763 345 2HE MET 45 2HE MET 45 11.600 -2.954 -12.595 346 3HE MET 45 3HE MET 45 11.260 -2.090 -11.098 347 H ARG 46 H ARG 46 9.042 -0.846 -15.103 348 HA ARG 46 HA ARG 46 10.653 1.461 -15.703 349 1HB ARG 46 2HB ARG 46 11.208 0.254 -17.788 350 2HB ARG 46 1HB ARG 46 11.407 -0.759 -16.360 351 1HG ARG 46 2HG ARG 46 9.837 -2.220 -17.058 352 2HG ARG 46 1HG ARG 46 8.703 -0.930 -17.448 353 1HD ARG 46 2HD ARG 46 9.766 -0.559 -19.591 354 2HD ARG 46 1HD ARG 46 11.053 -1.694 -19.197 355 HE ARG 46 HE ARG 46 8.395 -2.350 -20.129 356 1HH1 ARG 46 2HH1 ARG 46 11.176 -3.472 -18.332 357 2HH1 ARG 46 1HH1 ARG 46 10.816 -5.146 -18.581 358 1HH2 ARG 46 1HH2 ARG 46 7.948 -4.551 -20.441 359 2HH2 ARG 46 2HH2 ARG 46 8.996 -5.756 -19.772 360 H MET 47 H MET 47 7.472 0.348 -16.616 361 HA MET 47 HA MET 47 7.180 2.114 -18.882 362 1HB MET 47 2HB MET 47 5.301 0.335 -17.341 363 2HB MET 47 1HB MET 47 4.694 1.468 -18.548 364 1HG MET 47 2HG MET 47 6.928 -0.471 -19.168 365 2HG MET 47 1HG MET 47 5.232 -0.912 -19.365 366 1HE MET 47 1HE MET 47 8.041 -0.258 -21.270 367 2HE MET 47 2HE MET 47 8.182 1.303 -20.465 368 3HE MET 47 3HE MET 47 7.883 1.239 -22.200 369 H LEU 48 H LEU 48 6.487 2.245 -15.439 370 HA LEU 48 HA LEU 48 4.783 4.557 -15.541 371 1HB LEU 48 2HB LEU 48 6.098 2.938 -13.435 372 2HB LEU 48 1HB LEU 48 5.727 4.596 -13.021 373 HG LEU 48 HG LEU 48 3.387 4.236 -13.281 374 1HD1 LEU 48 1HD1 LEU 48 4.296 2.020 -14.991 375 2HD1 LEU 48 2HD1 LEU 48 2.809 2.961 -15.070 376 3HD1 LEU 48 3HD1 LEU 48 2.932 1.601 -13.954 377 1HD2 LEU 48 1HD2 LEU 48 2.996 2.265 -11.785 378 2HD2 LEU 48 2HD2 LEU 48 4.282 3.324 -11.203 379 3HD2 LEU 48 3HD2 LEU 48 4.685 1.807 -12.007 380 H GLY 49 H GLY 49 8.220 3.972 -15.334 381 1HA GLY 49 2HA GLY 49 9.663 5.772 -16.220 382 2HA GLY 49 1HA GLY 49 8.701 6.898 -15.270 383 H GLN 50 H GLN 50 9.672 3.752 -14.023 384 HA GLN 50 HA GLN 50 11.650 5.082 -12.263 385 1HB GLN 50 2HB GLN 50 9.819 2.822 -11.422 386 2HB GLN 50 1HB GLN 50 10.935 3.723 -10.401 387 1HG GLN 50 2HG GLN 50 8.559 4.944 -11.842 388 2HG GLN 50 1HG GLN 50 8.563 4.471 -10.144 389 1HE2 GLN 50 1HE2 GLN 50 8.640 7.208 -11.814 390 2HE2 GLN 50 2HE2 GLN 50 9.761 8.119 -10.923 391 H ASN 51 H ASN 51 13.234 3.556 -11.313 392 HA ASN 51 HA ASN 51 13.595 0.994 -12.636 393 1HB ASN 51 2HB ASN 51 14.568 2.867 -14.153 394 2HB ASN 51 1HB ASN 51 15.848 2.969 -12.944 395 1HD2 ASN 51 1HD2 ASN 51 17.581 1.580 -13.320 396 2HD2 ASN 51 2HD2 ASN 51 17.498 0.144 -14.221 397 HA PRO 52 HA PRO 52 15.482 1.427 -8.388 398 1HB PRO 52 2HB PRO 52 13.596 0.027 -6.985 399 2HB PRO 52 1HB PRO 52 13.505 1.768 -7.284 400 1HG PRO 52 2HG PRO 52 11.926 -0.421 -8.466 401 2HG PRO 52 1HG PRO 52 11.532 1.297 -8.311 402 1HD PRO 52 2HD PRO 52 12.474 -0.059 -10.651 403 2HD PRO 52 1HD PRO 52 12.187 1.685 -10.456 404 H THR 53 H THR 53 15.227 -0.775 -6.665 405 HA THR 53 HA THR 53 16.630 -2.875 -8.182 406 HB THR 53 HB THR 53 17.698 -3.462 -6.183 407 HG1 THR 53 HG1 THR 53 16.702 -3.487 -4.324 408 1HG2 THR 53 1HG2 THR 53 18.589 -1.480 -5.274 409 2HG2 THR 53 2HG2 THR 53 17.083 -0.594 -5.508 410 3HG2 THR 53 3HG2 THR 53 18.081 -1.018 -6.899 411 HA PRO 54 HA PRO 54 13.395 -5.839 -7.594 412 1HB PRO 54 2HB PRO 54 14.595 -8.059 -6.528 413 2HB PRO 54 1HB PRO 54 14.775 -7.548 -8.214 414 1HG PRO 54 2HG PRO 54 16.691 -7.310 -5.957 415 2HG PRO 54 1HG PRO 54 17.004 -7.500 -7.688 416 1HD PRO 54 2HD PRO 54 17.191 -5.102 -6.260 417 2HD PRO 54 1HD PRO 54 17.073 -5.233 -8.030 418 H GLU 55 H GLU 55 15.304 -5.209 -4.722 419 HA GLU 55 HA GLU 55 13.349 -6.304 -2.879 420 1HB GLU 55 2HB GLU 55 15.878 -4.689 -2.519 421 2HB GLU 55 1HB GLU 55 14.813 -5.086 -1.170 422 1HG GLU 55 2HG GLU 55 15.335 -7.327 -1.231 423 2HG GLU 55 1HG GLU 55 15.603 -7.325 -2.974 424 H GLU 56 H GLU 56 14.245 -3.173 -4.242 425 HA GLU 56 HA GLU 56 12.581 -1.601 -2.515 426 1HB GLU 56 2HB GLU 56 14.593 -0.799 -3.895 427 2HB GLU 56 1HB GLU 56 13.492 -0.787 -5.272 428 1HG GLU 56 2HG GLU 56 12.171 0.917 -4.375 429 2HG GLU 56 1HG GLU 56 12.679 0.576 -2.721 430 H LEU 57 H LEU 57 12.203 -2.933 -5.809 431 HA LEU 57 HA LEU 57 9.701 -1.738 -6.353 432 1HB LEU 57 2HB LEU 57 9.557 -3.120 -8.212 433 2HB LEU 57 1HB LEU 57 11.275 -2.910 -7.985 434 HG LEU 57 HG LEU 57 11.060 -5.202 -6.678 435 1HD1 LEU 57 1HD1 LEU 57 8.492 -4.918 -8.169 436 2HD1 LEU 57 2HD1 LEU 57 8.835 -5.813 -6.688 437 3HD1 LEU 57 3HD1 LEU 57 9.289 -6.490 -8.252 438 1HD2 LEU 57 1HD2 LEU 57 10.838 -5.139 -9.699 439 2HD2 LEU 57 2HD2 LEU 57 11.699 -6.321 -8.712 440 3HD2 LEU 57 3HD2 LEU 57 12.298 -4.666 -8.830 441 H GLN 58 H GLN 58 10.568 -4.797 -4.769 442 HA GLN 58 HA GLN 58 7.861 -5.722 -4.546 443 1HB GLN 58 2HB GLN 58 10.491 -6.677 -3.764 444 2HB GLN 58 1HB GLN 58 9.306 -6.932 -2.483 445 1HG GLN 58 2HG GLN 58 8.909 -7.742 -5.381 446 2HG GLN 58 1HG GLN 58 9.405 -8.840 -4.093 447 1HE2 GLN 58 1HE2 GLN 58 6.673 -7.635 -5.714 448 2HE2 GLN 58 2HE2 GLN 58 5.498 -8.058 -4.563 449 H GLU 59 H GLU 59 9.889 -3.583 -2.671 450 HA GLU 59 HA GLU 59 8.424 -3.703 -0.226 451 1HB GLU 59 2HB GLU 59 10.536 -1.973 -1.379 452 2HB GLU 59 1HB GLU 59 9.515 -1.226 -0.150 453 1HG GLU 59 2HG GLU 59 9.942 -3.298 1.277 454 2HG GLU 59 1HG GLU 59 11.188 -3.733 0.108 455 H MET 60 H MET 60 8.304 -1.503 -3.038 456 HA MET 60 HA MET 60 6.236 0.144 -1.962 457 1HB MET 60 2HB MET 60 6.011 1.049 -4.243 458 2HB MET 60 1HB MET 60 7.698 0.987 -3.737 459 1HG MET 60 2HG MET 60 8.156 -0.891 -5.106 460 2HG MET 60 1HG MET 60 6.447 -1.263 -5.315 461 1HE MET 60 1HE MET 60 9.370 0.866 -5.924 462 2HE MET 60 2HE MET 60 9.116 1.659 -7.476 463 3HE MET 60 3HE MET 60 9.327 -0.088 -7.413 464 H ILE 61 H ILE 61 6.253 -2.834 -3.804 465 HA ILE 61 HA ILE 61 3.461 -2.754 -4.513 466 HB ILE 61 HB ILE 61 5.434 -5.054 -4.454 467 1HG1 ILE 61 2HG1 ILE 61 4.261 -3.776 -6.910 468 2HG1 ILE 61 1HG1 ILE 61 5.628 -3.006 -6.100 469 1HG2 ILE 61 1HG2 ILE 61 3.436 -5.745 -6.201 470 2HG2 ILE 61 2HG2 ILE 61 2.524 -4.919 -4.937 471 3HG2 ILE 61 3HG2 ILE 61 3.535 -6.307 -4.532 472 1HD1 ILE 61 1HD1 ILE 61 6.701 -4.421 -7.621 473 2HD1 ILE 61 2HD1 ILE 61 5.491 -5.690 -7.440 474 3HD1 ILE 61 3HD1 ILE 61 6.671 -5.409 -6.162 475 H ASP 62 H ASP 62 5.401 -4.458 -2.057 476 HA ASP 62 HA ASP 62 3.291 -5.853 -0.817 477 1HB ASP 62 2HB ASP 62 5.795 -6.175 -0.443 478 2HB ASP 62 1HB ASP 62 5.713 -4.783 0.638 479 H GLU 63 H GLU 63 4.478 -2.556 -0.425 480 HA GLU 63 HA GLU 63 3.023 -1.929 1.945 481 1HB GLU 63 2HB GLU 63 4.543 -0.412 -0.106 482 2HB GLU 63 1HB GLU 63 3.330 0.493 0.799 483 1HG GLU 63 2HG GLU 63 5.266 -1.301 2.249 484 2HG GLU 63 1HG GLU 63 5.754 0.323 1.764 485 H VAL 64 H VAL 64 2.372 -1.323 -1.518 486 HA VAL 64 HA VAL 64 -0.168 -0.091 -1.034 487 HB VAL 64 HB VAL 64 1.117 0.392 -3.074 488 1HG1 VAL 64 1HG1 VAL 64 0.448 -2.463 -3.851 489 2HG1 VAL 64 2HG1 VAL 64 2.054 -1.867 -3.434 490 3HG1 VAL 64 3HG1 VAL 64 1.241 -1.272 -4.880 491 1HG2 VAL 64 1HG2 VAL 64 -1.536 0.270 -2.862 492 2HG2 VAL 64 2HG2 VAL 64 -1.337 -0.989 -4.081 493 3HG2 VAL 64 3HG2 VAL 64 -0.759 0.648 -4.399 494 H ASP 65 H ASP 65 0.876 -3.405 -1.673 495 HA ASP 65 HA ASP 65 -1.810 -4.393 -2.083 496 1HB ASP 65 2HB ASP 65 0.747 -5.390 -2.599 497 2HB ASP 65 1HB ASP 65 0.136 -6.416 -1.304 498 H GLU 66 H GLU 66 -3.079 -3.999 -0.353 499 HA GLU 66 HA GLU 66 -2.336 -4.138 2.360 500 1HB GLU 66 2HB GLU 66 -5.111 -4.687 1.292 501 2HB GLU 66 1HB GLU 66 -4.675 -4.062 2.881 502 1HG GLU 66 2HG GLU 66 -3.570 -2.109 1.590 503 2HG GLU 66 1HG GLU 66 -4.511 -2.672 0.210 504 H ASP 67 H ASP 67 -3.773 -6.570 0.214 505 HA ASP 67 HA ASP 67 -3.861 -8.569 2.313 506 1HB ASP 67 2HB ASP 67 -4.599 -10.099 0.466 507 2HB ASP 67 1HB ASP 67 -5.619 -8.679 0.682 508 H GLY 68 H GLY 68 -1.847 -7.869 -0.519 509 1HA GLY 68 2HA GLY 68 0.329 -8.514 -0.981 510 2HA GLY 68 1HA GLY 68 0.388 -9.286 0.601 511 H SER 69 H SER 69 -1.731 -9.801 -2.210 512 HA SER 69 HA SER 69 -1.441 -12.682 -1.972 513 1HB SER 69 2HB SER 69 -3.046 -12.728 -3.883 514 2HB SER 69 1HB SER 69 -3.635 -11.814 -2.500 515 HG SER 69 HG SER 69 -3.734 -10.146 -3.766 516 H GLY 70 H GLY 70 0.533 -10.421 -3.390 517 1HA GLY 70 2HA GLY 70 2.343 -10.741 -4.805 518 2HA GLY 70 1HA GLY 70 1.777 -12.382 -5.114 519 H THR 71 H THR 71 -0.602 -9.925 -5.433 520 HA THR 71 HA THR 71 -0.173 -9.582 -8.310 521 HB THR 71 HB THR 71 -2.394 -10.295 -8.910 522 HG1 THR 71 HG1 THR 71 -3.913 -10.448 -7.471 523 1HG2 THR 71 1HG2 THR 71 -0.725 -12.092 -8.752 524 2HG2 THR 71 2HG2 THR 71 -2.319 -12.691 -8.288 525 3HG2 THR 71 3HG2 THR 71 -1.119 -12.322 -7.046 526 H VAL 72 H VAL 72 -0.872 -7.628 -9.048 527 HA VAL 72 HA VAL 72 -2.001 -5.805 -7.029 528 HB VAL 72 HB VAL 72 -0.910 -5.006 -9.724 529 1HG1 VAL 72 1HG1 VAL 72 -0.624 -2.845 -8.625 530 2HG1 VAL 72 2HG1 VAL 72 -1.154 -3.528 -7.088 531 3HG1 VAL 72 3HG1 VAL 72 -2.292 -3.385 -8.428 532 1HG2 VAL 72 1HG2 VAL 72 0.572 -5.362 -7.100 533 2HG2 VAL 72 2HG2 VAL 72 1.222 -4.512 -8.503 534 3HG2 VAL 72 3HG2 VAL 72 0.871 -6.239 -8.602 535 H ASP 73 H ASP 73 -4.041 -5.193 -7.123 536 HA ASP 73 HA ASP 73 -5.661 -5.857 -9.478 537 1HB ASP 73 2HB ASP 73 -6.356 -4.874 -6.698 538 2HB ASP 73 1HB ASP 73 -7.551 -5.028 -7.988 539 H PHE 74 H PHE 74 -7.266 -4.102 -10.193 540 HA PHE 74 HA PHE 74 -5.821 -1.859 -11.069 541 1HB PHE 74 2HB PHE 74 -7.974 -2.794 -12.074 542 2HB PHE 74 1HB PHE 74 -8.827 -1.869 -10.837 543 HD1 PHE 74 HD1 PHE 74 -5.734 -1.127 -12.809 544 HD2 PHE 74 HD2 PHE 74 -9.771 0.006 -11.887 545 HE1 PHE 74 HE1 PHE 74 -5.476 0.918 -14.181 546 HE2 PHE 74 HE2 PHE 74 -9.509 2.054 -13.257 547 HZ PHE 74 HZ PHE 74 -7.364 2.509 -14.406 548 H ASP 75 H ASP 75 -7.767 -2.341 -8.179 549 HA ASP 75 HA ASP 75 -7.948 0.412 -7.427 550 1HB ASP 75 2HB ASP 75 -8.356 -2.205 -6.024 551 2HB ASP 75 1HB ASP 75 -8.199 -0.737 -5.059 552 H GLU 76 H GLU 76 -5.712 -2.234 -6.633 553 HA GLU 76 HA GLU 76 -4.056 -0.657 -4.891 554 1HB GLU 76 2HB GLU 76 -3.352 -3.228 -6.334 555 2HB GLU 76 1HB GLU 76 -2.532 -2.551 -4.927 556 1HG GLU 76 2HG GLU 76 -4.536 -2.845 -3.564 557 2HG GLU 76 1HG GLU 76 -5.446 -3.400 -4.967 558 H PHE 77 H PHE 77 -4.180 -1.319 -8.320 559 HA PHE 77 HA PHE 77 -1.564 -0.552 -9.062 560 1HB PHE 77 2HB PHE 77 -3.635 -1.653 -10.387 561 2HB PHE 77 1HB PHE 77 -3.825 0.011 -10.911 562 HD1 PHE 77 HD1 PHE 77 -3.382 -0.793 -13.198 563 HD2 PHE 77 HD2 PHE 77 -0.401 -1.087 -10.107 564 HE1 PHE 77 HE1 PHE 77 -1.630 -1.142 -14.904 565 HE2 PHE 77 HE2 PHE 77 1.341 -1.427 -11.828 566 HZ PHE 77 HZ PHE 77 0.724 -1.460 -14.228 567 H LEU 78 H LEU 78 -4.634 1.277 -9.180 568 HA LEU 78 HA LEU 78 -3.420 3.746 -9.926 569 1HB LEU 78 2HB LEU 78 -6.114 2.892 -9.000 570 2HB LEU 78 1HB LEU 78 -5.713 4.595 -8.872 571 HG LEU 78 HG LEU 78 -5.536 4.838 -11.216 572 1HD1 LEU 78 1HD1 LEU 78 -5.419 2.980 -12.783 573 2HD1 LEU 78 2HD1 LEU 78 -5.614 1.820 -11.468 574 3HD1 LEU 78 3HD1 LEU 78 -4.148 2.793 -11.575 575 1HD2 LEU 78 1HD2 LEU 78 -7.656 3.804 -12.075 576 2HD2 LEU 78 2HD2 LEU 78 -7.852 4.618 -10.523 577 3HD2 LEU 78 3HD2 LEU 78 -7.743 2.858 -10.589 578 H VAL 79 H VAL 79 -4.141 2.234 -6.838 579 HA VAL 79 HA VAL 79 -3.893 4.496 -5.161 580 HB VAL 79 HB VAL 79 -3.774 1.542 -4.813 581 1HG1 VAL 79 1HG1 VAL 79 -3.022 1.754 -2.466 582 2HG1 VAL 79 2HG1 VAL 79 -2.681 3.463 -2.735 583 3HG1 VAL 79 3HG1 VAL 79 -1.755 2.232 -3.598 584 1HG2 VAL 79 1HG2 VAL 79 -5.050 3.637 -3.052 585 2HG2 VAL 79 2HG2 VAL 79 -5.535 1.956 -3.285 586 3HG2 VAL 79 3HG2 VAL 79 -5.791 3.136 -4.572 587 H MET 80 H MET 80 -1.518 2.130 -6.321 588 HA MET 80 HA MET 80 0.766 2.871 -4.987 589 1HB MET 80 2HB MET 80 0.192 1.255 -7.171 590 2HB MET 80 1HB MET 80 1.316 2.450 -7.819 591 1HG MET 80 2HG MET 80 2.594 1.934 -5.528 592 2HG MET 80 1HG MET 80 1.746 0.397 -5.694 593 1HE MET 80 1HE MET 80 1.496 -0.132 -8.749 594 2HE MET 80 2HE MET 80 1.953 -1.238 -7.456 595 3HE MET 80 3HE MET 80 2.938 -1.144 -8.914 596 H MET 81 H MET 81 -0.895 4.702 -7.490 597 HA MET 81 HA MET 81 1.247 6.380 -8.288 598 1HB MET 81 2HB MET 81 -0.851 6.301 -9.558 599 2HB MET 81 1HB MET 81 -1.722 6.993 -8.190 600 1HG MET 81 2HG MET 81 -1.213 9.051 -8.947 601 2HG MET 81 1HG MET 81 0.493 8.699 -8.686 602 1HE MET 81 1HE MET 81 2.124 7.731 -10.487 603 2HE MET 81 2HE MET 81 1.577 7.059 -12.022 604 3HE MET 81 3HE MET 81 1.041 6.332 -10.510 605 H VAL 82 H VAL 82 -1.371 6.951 -5.919 606 HA VAL 82 HA VAL 82 -0.226 9.367 -4.911 607 HB VAL 82 HB VAL 82 -1.839 9.074 -3.019 608 1HG1 VAL 82 1HG1 VAL 82 -2.692 8.901 -5.900 609 2HG1 VAL 82 2HG1 VAL 82 -2.700 10.300 -4.828 610 3HG1 VAL 82 3HG1 VAL 82 -3.896 9.022 -4.617 611 1HG2 VAL 82 1HG2 VAL 82 -1.757 6.543 -3.082 612 2HG2 VAL 82 2HG2 VAL 82 -2.740 6.616 -4.546 613 3HG2 VAL 82 3HG2 VAL 82 -3.383 7.221 -3.019 614 H ARG 83 H ARG 83 0.190 5.978 -4.152 615 HA ARG 83 HA ARG 83 1.408 6.282 -1.592 616 1HB ARG 83 2HB ARG 83 1.706 4.070 -3.643 617 2HB ARG 83 1HB ARG 83 2.287 3.992 -1.980 618 1HG ARG 83 2HG ARG 83 -0.292 4.742 -1.553 619 2HG ARG 83 1HG ARG 83 -0.479 3.791 -3.025 620 1HD ARG 83 2HD ARG 83 -0.487 1.979 -1.687 621 2HD ARG 83 1HD ARG 83 1.241 2.242 -1.506 622 HE ARG 83 HE ARG 83 -0.851 3.057 0.412 623 1HH1 ARG 83 2HH1 ARG 83 2.536 2.722 -0.421 624 2HH1 ARG 83 1HH1 ARG 83 3.078 2.959 1.203 625 1HH2 ARG 83 1HH2 ARG 83 -0.101 3.370 2.523 626 2HH2 ARG 83 2HH2 ARG 83 1.597 3.326 2.861 627 H CYS 84 H CYS 84 2.583 6.480 -4.898 628 HA CYS 84 HA CYS 84 5.381 6.399 -4.214 629 1HB CYS 84 2HB CYS 84 3.831 7.022 -6.712 630 2HB CYS 84 1HB CYS 84 5.553 7.393 -6.620 631 HG CYS 84 HG CYS 84 4.411 4.640 -7.016 632 H MET 85 H MET 85 2.971 8.936 -4.826 633 HA MET 85 HA MET 85 4.915 11.079 -4.657 634 1HB MET 85 2HB MET 85 2.611 11.061 -5.906 635 2HB MET 85 1HB MET 85 1.960 11.502 -4.328 636 1HG MET 85 2HG MET 85 3.550 13.409 -4.225 637 2HG MET 85 1HG MET 85 4.135 12.986 -5.835 638 1HE MET 85 1HE MET 85 -0.064 14.021 -4.575 639 2HE MET 85 2HE MET 85 1.127 15.219 -4.073 640 3HE MET 85 3HE MET 85 1.340 13.530 -3.618 641 H LYS 86 H LYS 86 2.101 10.153 -2.652 642 HA LYS 86 HA LYS 86 3.357 11.490 -0.341 643 1HB LYS 86 2HB LYS 86 0.835 11.791 -1.198 644 2HB LYS 86 1HB LYS 86 0.598 10.373 -0.175 645 1HG LYS 86 2HG LYS 86 2.215 12.013 1.380 646 2HG LYS 86 1HG LYS 86 1.124 13.151 0.591 647 1HD LYS 86 2HD LYS 86 -0.771 12.233 1.569 648 2HD LYS 86 1HD LYS 86 -0.026 10.646 1.768 649 1HE LYS 86 2HE LYS 86 1.564 11.827 3.439 650 2HE LYS 86 1HE LYS 86 0.375 13.128 3.434 651 1HZ LYS 86 1HZ LYS 86 -1.323 11.536 4.076 652 2HZ LYS 86 2HZ LYS 86 -0.053 11.542 5.205 653 3HZ LYS 86 3HZ LYS 86 -0.182 10.281 4.074 654 H ASP 87 H ASP 87 3.691 10.396 1.593 655 HA ASP 87 HA ASP 87 4.136 8.627 2.988 656 1HB ASP 87 2HB ASP 87 1.678 8.059 2.336 657 2HB ASP 87 1HB ASP 87 2.403 6.828 1.305 658 H ASP 88 H ASP 88 5.978 9.188 1.075 659 HA ASP 88 HA ASP 88 6.850 6.555 0.039 660 1HB ASP 88 2HB ASP 88 6.532 8.688 -1.483 661 2HB ASP 88 1HB ASP 88 8.108 9.132 -0.829 662 H SER 89 HN SER 89 7.992 9.518 1.653 663 HA SER 89 HA SER 89 10.608 8.517 2.222 664 1HB SER 89 2HB SER 89 9.810 10.977 2.193 665 2HB SER 89 1HB SER 89 9.229 10.665 3.827 666 HG SER 89 HG SER 89 11.215 10.756 4.492 Start of MODEL 5 1 1H MET 1 1H MET 1 -3.380 2.837 3.763 2 2H MET 1 2H MET 1 -4.807 2.059 4.259 3 3H MET 1 3H MET 1 -3.356 1.184 4.144 4 HA MET 1 HA MET 1 -3.752 1.604 6.438 5 1HB MET 1 2HB MET 1 -1.426 2.182 5.162 6 2HB MET 1 1HB MET 1 -1.760 3.742 5.913 7 1HG MET 1 2HG MET 1 -0.537 2.604 7.570 8 2HG MET 1 1HG MET 1 -2.212 2.361 8.069 9 1HE MET 1 1HE MET 1 0.421 1.001 8.781 10 2HE MET 1 2HE MET 1 1.142 0.470 7.264 11 3HE MET 1 3HE MET 1 0.521 -0.724 8.401 12 H ASN 2 H ASN 2 -3.368 4.754 4.773 13 HA ASN 2 HA ASN 2 -5.034 6.019 6.843 14 1HB ASN 2 2HB ASN 2 -2.691 6.867 5.772 15 2HB ASN 2 1HB ASN 2 -3.837 7.681 4.707 16 1HD2 ASN 2 1HD2 ASN 2 -2.992 7.268 8.170 17 2HD2 ASN 2 2HD2 ASN 2 -3.690 8.733 8.671 18 H ASP 3 H ASP 3 -6.648 7.605 6.169 19 HA ASP 3 HA ASP 3 -8.375 6.539 4.120 20 1HB ASP 3 2HB ASP 3 -8.610 8.986 5.884 21 2HB ASP 3 1HB ASP 3 -9.862 8.453 4.763 22 H ILE 4 H ILE 4 -5.936 8.989 4.242 23 HA ILE 4 HA ILE 4 -6.849 10.747 2.240 24 HB ILE 4 HB ILE 4 -4.465 11.391 1.967 25 1HG1 ILE 4 2HG1 ILE 4 -3.089 10.111 3.950 26 2HG1 ILE 4 1HG1 ILE 4 -4.109 8.799 3.363 27 1HG2 ILE 4 1HG2 ILE 4 -5.397 11.009 4.828 28 2HG2 ILE 4 2HG2 ILE 4 -5.810 12.363 3.776 29 3HG2 ILE 4 3HG2 ILE 4 -4.144 12.136 4.307 30 1HD1 ILE 4 1HD1 ILE 4 -3.235 8.939 1.172 31 2HD1 ILE 4 2HD1 ILE 4 -1.822 9.134 2.207 32 3HD1 ILE 4 3HD1 ILE 4 -2.561 10.545 1.452 33 H TYR 5 H TYR 5 -5.164 7.659 2.018 34 HA TYR 5 HA TYR 5 -4.461 7.810 -0.734 35 1HB TYR 5 2HB TYR 5 -5.067 5.340 0.920 36 2HB TYR 5 1HB TYR 5 -4.247 5.360 -0.639 37 HD1 TYR 5 HD1 TYR 5 -2.071 6.793 -0.816 38 HD2 TYR 5 HD2 TYR 5 -3.843 5.571 2.902 39 HE1 TYR 5 HE1 TYR 5 0.091 7.165 0.338 40 HE2 TYR 5 HE2 TYR 5 -1.683 5.945 4.055 41 HH TYR 5 HH TYR 5 1.008 5.941 2.955 42 H LYS 6 H LYS 6 -7.319 6.616 0.980 43 HA LYS 6 HA LYS 6 -8.654 5.670 -1.387 44 1HB LYS 6 2HB LYS 6 -9.012 5.210 1.276 45 2HB LYS 6 1HB LYS 6 -10.321 6.346 0.952 46 1HG LYS 6 2HG LYS 6 -11.318 4.287 0.446 47 2HG LYS 6 1HG LYS 6 -10.775 4.839 -1.137 48 1HD LYS 6 2HD LYS 6 -9.958 2.654 -1.112 49 2HD LYS 6 1HD LYS 6 -8.564 3.551 -0.509 50 1HE LYS 6 2HE LYS 6 -8.956 2.904 1.721 51 2HE LYS 6 1HE LYS 6 -10.631 2.464 1.396 52 1HZ LYS 6 1HZ LYS 6 -8.289 1.047 0.248 53 2HZ LYS 6 2HZ LYS 6 -9.920 0.582 0.143 54 3HZ LYS 6 3HZ LYS 6 -9.116 0.541 1.639 55 H ALA 7 H ALA 7 -8.519 8.712 0.358 56 HA ALA 7 HA ALA 7 -10.863 9.888 -0.760 57 1HB ALA 7 1HB ALA 7 -8.375 11.143 0.418 58 2HB ALA 7 2HB ALA 7 -9.896 10.826 1.252 59 3HB ALA 7 3HB ALA 7 -9.827 12.041 -0.026 60 H ALA 8 H ALA 8 -7.600 9.449 -1.925 61 HA ALA 8 HA ALA 8 -7.859 11.433 -4.037 62 1HB ALA 8 1HB ALA 8 -5.666 10.939 -2.942 63 2HB ALA 8 2HB ALA 8 -5.632 10.754 -4.695 64 3HB ALA 8 3HB ALA 8 -5.720 9.328 -3.660 65 H VAL 9 H VAL 9 -7.795 7.883 -3.761 66 HA VAL 9 HA VAL 9 -8.001 7.360 -6.538 67 HB VAL 9 HB VAL 9 -7.319 5.687 -4.782 68 1HG1 VAL 9 1HG1 VAL 9 -10.313 5.559 -4.308 69 2HG1 VAL 9 2HG1 VAL 9 -9.116 6.159 -3.163 70 3HG1 VAL 9 3HG1 VAL 9 -9.116 4.458 -3.624 71 1HG2 VAL 9 1HG2 VAL 9 -8.241 3.812 -5.979 72 2HG2 VAL 9 2HG2 VAL 9 -8.033 5.117 -7.147 73 3HG2 VAL 9 3HG2 VAL 9 -9.635 4.757 -6.501 74 H GLU 10 H GLU 10 -10.366 8.311 -4.163 75 HA GLU 10 HA GLU 10 -12.641 7.465 -5.739 76 1HB GLU 10 2HB GLU 10 -13.992 8.443 -4.013 77 2HB GLU 10 1HB GLU 10 -12.671 7.573 -3.239 78 1HG GLU 10 2HG GLU 10 -11.547 9.540 -2.643 79 2HG GLU 10 1HG GLU 10 -12.389 10.507 -3.851 80 H GLN 11 H GLN 11 -10.509 10.132 -5.835 81 HA GLN 11 HA GLN 11 -12.508 11.656 -7.404 82 1HB GLN 11 2HB GLN 11 -11.570 13.745 -6.593 83 2HB GLN 11 1HB GLN 11 -12.083 12.754 -5.227 84 1HG GLN 11 2HG GLN 11 -9.768 12.001 -4.881 85 2HG GLN 11 1HG GLN 11 -9.240 12.948 -6.271 86 1HE2 GLN 11 1HE2 GLN 11 -10.832 13.334 -3.064 87 2HE2 GLN 11 2HE2 GLN 11 -10.256 14.910 -2.807 88 H LEU 12 H LEU 12 -10.227 9.742 -8.128 89 HA LEU 12 HA LEU 12 -8.206 11.317 -9.408 90 1HB LEU 12 2HB LEU 12 -7.662 9.210 -10.597 91 2HB LEU 12 1HB LEU 12 -7.704 9.048 -8.856 92 HG LEU 12 HG LEU 12 -10.239 8.304 -9.450 93 1HD1 LEU 12 1HD1 LEU 12 -10.100 8.438 -11.816 94 2HD1 LEU 12 2HD1 LEU 12 -9.932 6.724 -11.444 95 3HD1 LEU 12 3HD1 LEU 12 -8.507 7.684 -11.843 96 1HD2 LEU 12 1HD2 LEU 12 -8.582 7.071 -8.102 97 2HD2 LEU 12 2HD2 LEU 12 -7.776 6.541 -9.577 98 3HD2 LEU 12 3HD2 LEU 12 -9.414 5.997 -9.223 99 H THR 13 H THR 13 -7.847 10.906 -11.885 100 HA THR 13 HA THR 13 -10.327 11.747 -13.253 101 HB THR 13 HB THR 13 -8.322 12.217 -15.055 102 HG1 THR 13 HG1 THR 13 -6.585 11.964 -13.869 103 1HG2 THR 13 1HG2 THR 13 -8.425 14.600 -13.838 104 2HG2 THR 13 2HG2 THR 13 -9.791 13.828 -13.033 105 3HG2 THR 13 3HG2 THR 13 -9.767 13.967 -14.791 106 H ASP 14 H ASP 14 -10.435 11.137 -15.592 107 HA ASP 14 HA ASP 14 -10.378 8.292 -15.858 108 1HB ASP 14 2HB ASP 14 -11.069 10.579 -17.669 109 2HB ASP 14 1HB ASP 14 -10.829 8.974 -18.363 110 H GLU 15 H GLU 15 -8.289 10.934 -16.898 111 HA GLU 15 HA GLU 15 -6.661 9.414 -18.687 112 1HB GLU 15 2HB GLU 15 -6.433 12.062 -17.328 113 2HB GLU 15 1HB GLU 15 -4.953 11.331 -17.952 114 1HG GLU 15 2HG GLU 15 -7.412 11.443 -19.683 115 2HG GLU 15 1HG GLU 15 -6.379 12.865 -19.530 116 H GLN 16 H GLN 16 -6.704 9.883 -15.224 117 HA GLN 16 HA GLN 16 -4.095 8.840 -14.669 118 1HB GLN 16 2HB GLN 16 -5.686 10.253 -13.139 119 2HB GLN 16 1HB GLN 16 -6.383 8.689 -12.722 120 1HG GLN 16 2HG GLN 16 -3.645 8.231 -12.567 121 2HG GLN 16 1HG GLN 16 -3.825 9.859 -11.914 122 1HE2 GLN 16 1HE2 GLN 16 -5.748 6.797 -11.685 123 2HE2 GLN 16 2HE2 GLN 16 -5.912 6.868 -9.998 124 H LYS 17 H LYS 17 -7.362 7.516 -14.895 125 HA LYS 17 HA LYS 17 -6.770 4.884 -13.986 126 1HB LYS 17 2HB LYS 17 -8.957 5.891 -15.828 127 2HB LYS 17 1HB LYS 17 -8.883 4.259 -15.166 128 1HG LYS 17 2HG LYS 17 -9.360 4.960 -13.011 129 2HG LYS 17 1HG LYS 17 -8.702 6.573 -13.281 130 1HD LYS 17 2HD LYS 17 -10.890 7.187 -13.447 131 2HD LYS 17 1HD LYS 17 -10.753 6.549 -15.085 132 1HE LYS 17 2HE LYS 17 -12.590 5.347 -14.354 133 2HE LYS 17 1HE LYS 17 -11.302 4.249 -13.860 134 1HZ LYS 17 1HZ LYS 17 -12.522 6.324 -12.118 135 2HZ LYS 17 2HZ LYS 17 -11.355 5.178 -11.658 136 3HZ LYS 17 3HZ LYS 17 -12.920 4.676 -12.085 137 H ASN 18 H ASN 18 -6.973 6.363 -17.217 138 HA ASN 18 HA ASN 18 -6.420 4.002 -18.687 139 1HB ASN 18 2HB ASN 18 -6.233 6.935 -19.321 140 2HB ASN 18 1HB ASN 18 -5.650 5.731 -20.471 141 1HD2 ASN 18 1HD2 ASN 18 -8.447 7.387 -19.432 142 2HD2 ASN 18 2HD2 ASN 18 -9.600 6.389 -20.178 143 H GLU 19 H GLU 19 -4.307 6.408 -17.211 144 HA GLU 19 HA GLU 19 -1.892 5.827 -18.477 145 1HB GLU 19 2HB GLU 19 -2.297 7.664 -16.789 146 2HB GLU 19 1HB GLU 19 -2.171 6.437 -15.527 147 1HG GLU 19 2HG GLU 19 0.083 5.812 -16.494 148 2HG GLU 19 1HG GLU 19 -0.041 7.238 -17.525 149 H PHE 20 H PHE 20 -3.238 4.359 -15.512 150 HA PHE 20 HA PHE 20 -1.155 2.330 -15.467 151 1HB PHE 20 2HB PHE 20 -3.440 3.072 -13.679 152 2HB PHE 20 1HB PHE 20 -2.711 1.474 -13.534 153 HD1 PHE 20 HD1 PHE 20 -2.154 5.100 -13.172 154 HD2 PHE 20 HD2 PHE 20 -0.396 1.201 -12.792 155 HE1 PHE 20 HE1 PHE 20 -0.284 6.066 -11.872 156 HE2 PHE 20 HE2 PHE 20 1.467 2.161 -11.481 157 HZ PHE 20 HZ PHE 20 1.530 4.601 -11.023 158 H LYS 21 H LYS 21 -4.665 2.482 -16.092 159 HA LYS 21 HA LYS 21 -5.228 -0.236 -16.282 160 1HB LYS 21 2HB LYS 21 -6.936 1.557 -16.367 161 2HB LYS 21 1HB LYS 21 -6.416 1.947 -18.005 162 1HG LYS 21 2HG LYS 21 -6.999 -0.914 -17.562 163 2HG LYS 21 1HG LYS 21 -8.396 0.147 -17.392 164 1HD LYS 21 2HD LYS 21 -6.558 0.492 -19.746 165 2HD LYS 21 1HD LYS 21 -7.765 -0.794 -19.765 166 1HE LYS 21 2HE LYS 21 -9.467 1.018 -19.106 167 2HE LYS 21 1HE LYS 21 -8.220 2.185 -19.543 168 1HZ LYS 21 1HZ LYS 21 -9.692 1.720 -21.401 169 2HZ LYS 21 2HZ LYS 21 -9.307 0.067 -21.322 170 3HZ LYS 21 3HZ LYS 21 -8.114 1.202 -21.744 171 H ALA 22 H ALA 22 -3.641 1.860 -18.638 172 HA ALA 22 HA ALA 22 -3.840 0.221 -20.915 173 1HB ALA 22 1HB ALA 22 -1.596 1.338 -21.533 174 2HB ALA 22 2HB ALA 22 -1.775 2.228 -20.020 175 3HB ALA 22 3HB ALA 22 -2.989 2.393 -21.289 176 H ALA 23 H ALA 23 -1.180 0.436 -18.538 177 HA ALA 23 HA ALA 23 0.213 -1.853 -19.537 178 1HB ALA 23 1HB ALA 23 1.337 -0.077 -18.219 179 2HB ALA 23 2HB ALA 23 1.568 -1.673 -17.507 180 3HB ALA 23 3HB ALA 23 0.400 -0.555 -16.804 181 H PHE 24 H PHE 24 -2.258 -1.308 -17.100 182 HA PHE 24 HA PHE 24 -2.130 -3.790 -15.754 183 1HB PHE 24 2HB PHE 24 -3.458 -1.656 -15.134 184 2HB PHE 24 1HB PHE 24 -4.696 -2.275 -16.224 185 HD1 PHE 24 HD1 PHE 24 -5.673 -4.581 -15.793 186 HD2 PHE 24 HD2 PHE 24 -3.174 -2.557 -12.954 187 HE1 PHE 24 HE1 PHE 24 -6.488 -6.084 -13.998 188 HE2 PHE 24 HE2 PHE 24 -3.989 -4.051 -11.162 189 HZ PHE 24 HZ PHE 24 -5.650 -5.816 -11.680 190 H ASP 25 H ASP 25 -3.994 -2.717 -18.592 191 HA ASP 25 HA ASP 25 -5.499 -5.079 -18.957 192 1HB ASP 25 2HB ASP 25 -5.712 -2.712 -20.072 193 2HB ASP 25 1HB ASP 25 -4.652 -3.409 -21.297 194 H ILE 26 H ILE 26 -2.312 -4.135 -20.227 195 HA ILE 26 HA ILE 26 -2.098 -6.437 -21.934 196 HB ILE 26 HB ILE 26 0.297 -5.765 -22.175 197 1HG1 ILE 26 2HG1 ILE 26 -0.525 -3.514 -20.308 198 2HG1 ILE 26 1HG1 ILE 26 0.593 -4.813 -19.901 199 1HG2 ILE 26 1HG2 ILE 26 -1.616 -4.828 -23.545 200 2HG2 ILE 26 2HG2 ILE 26 -0.198 -3.784 -23.449 201 3HG2 ILE 26 3HG2 ILE 26 -1.618 -3.435 -22.463 202 1HD1 ILE 26 1HD1 ILE 26 2.183 -3.359 -20.623 203 2HD1 ILE 26 2HD1 ILE 26 1.024 -2.401 -21.545 204 3HD1 ILE 26 3HD1 ILE 26 1.685 -3.887 -22.231 205 H PHE 27 H PHE 27 -0.872 -5.642 -18.684 206 HA PHE 27 HA PHE 27 0.684 -8.034 -18.443 207 1HB PHE 27 2HB PHE 27 -0.322 -6.070 -16.377 208 2HB PHE 27 1HB PHE 27 0.682 -7.464 -15.977 209 HD1 PHE 27 HD1 PHE 27 1.024 -4.152 -16.219 210 HD2 PHE 27 HD2 PHE 27 2.583 -7.644 -18.174 211 HE1 PHE 27 HE1 PHE 27 3.037 -2.876 -16.901 212 HE2 PHE 27 HE2 PHE 27 4.595 -6.368 -18.849 213 HZ PHE 27 HZ PHE 27 4.823 -3.983 -18.214 214 H ILE 28 H ILE 28 -2.668 -7.202 -17.620 215 HA ILE 28 HA ILE 28 -3.041 -9.871 -16.431 216 HB ILE 28 HB ILE 28 -5.170 -9.132 -15.630 217 1HG1 ILE 28 2HG1 ILE 28 -5.614 -6.529 -16.283 218 2HG1 ILE 28 1HG1 ILE 28 -4.858 -7.096 -17.770 219 1HG2 ILE 28 1HG2 ILE 28 -4.510 -7.436 -14.143 220 2HG2 ILE 28 2HG2 ILE 28 -3.455 -6.674 -15.333 221 3HG2 ILE 28 3HG2 ILE 28 -2.988 -8.204 -14.593 222 1HD1 ILE 28 1HD1 ILE 28 -7.011 -8.764 -16.515 223 2HD1 ILE 28 2HD1 ILE 28 -6.551 -8.624 -18.213 224 3HD1 ILE 28 3HD1 ILE 28 -7.468 -7.331 -17.438 225 H GLN 29 H GLN 29 -3.015 -8.709 -19.486 226 HA GLN 29 HA GLN 29 -5.360 -9.355 -20.770 227 1HB GLN 29 2HB GLN 29 -3.408 -8.418 -21.927 228 2HB GLN 29 1HB GLN 29 -2.548 -9.944 -21.729 229 1HG GLN 29 2HG GLN 29 -3.923 -11.070 -23.246 230 2HG GLN 29 1HG GLN 29 -5.240 -9.909 -23.067 231 1HE2 GLN 29 1HE2 GLN 29 -4.750 -7.633 -23.950 232 2HE2 GLN 29 2HE2 GLN 29 -3.756 -7.522 -25.321 233 H ASP 30 H ASP 30 -2.767 -11.568 -19.794 234 HA ASP 30 HA ASP 30 -4.497 -13.863 -20.496 235 1HB ASP 30 2HB ASP 30 -2.373 -15.203 -20.371 236 2HB ASP 30 1HB ASP 30 -2.388 -13.993 -21.650 237 H ALA 31 H ALA 31 -4.816 -12.291 -18.047 238 HA ALA 31 HA ALA 31 -3.845 -14.128 -15.964 239 1HB ALA 31 1HB ALA 31 -5.300 -11.496 -15.624 240 2HB ALA 31 2HB ALA 31 -3.545 -11.670 -15.628 241 3HB ALA 31 3HB ALA 31 -4.504 -12.440 -14.365 242 H GLU 32 H GLU 32 -5.233 -15.108 -14.503 243 HA GLU 32 HA GLU 32 -8.025 -15.379 -15.446 244 1HB GLU 32 2HB GLU 32 -8.017 -17.564 -14.234 245 2HB GLU 32 1HB GLU 32 -6.854 -17.496 -15.556 246 1HG GLU 32 2HG GLU 32 -5.051 -17.594 -14.151 247 2HG GLU 32 1HG GLU 32 -5.836 -16.623 -12.906 248 H ASP 33 H ASP 33 -7.408 -13.169 -13.907 249 HA ASP 33 HA ASP 33 -9.167 -13.568 -11.647 250 1HB ASP 33 2HB ASP 33 -6.722 -14.153 -10.919 251 2HB ASP 33 1HB ASP 33 -6.491 -12.405 -10.945 252 H GLY 34 H GLY 34 -6.794 -11.359 -13.124 253 1HA GLY 34 2HA GLY 34 -7.596 -9.310 -14.190 254 2HA GLY 34 1HA GLY 34 -8.786 -9.177 -12.897 255 H CYS 35 H CYS 35 -5.346 -9.997 -12.643 256 HA CYS 35 HA CYS 35 -4.706 -7.400 -11.449 257 1HB CYS 35 2HB CYS 35 -4.170 -9.998 -9.986 258 2HB CYS 35 1HB CYS 35 -3.754 -8.376 -9.439 259 HG CYS 35 HG CYS 35 -6.275 -7.865 -9.100 260 H ILE 36 H ILE 36 -2.504 -6.891 -11.579 261 HA ILE 36 HA ILE 36 -1.019 -8.467 -13.518 262 HB ILE 36 HB ILE 36 0.511 -6.686 -13.672 263 1HG1 ILE 36 2HG1 ILE 36 0.046 -4.798 -11.718 264 2HG1 ILE 36 1HG1 ILE 36 -0.149 -6.307 -10.824 265 1HG2 ILE 36 1HG2 ILE 36 -1.741 -6.074 -14.482 266 2HG2 ILE 36 2HG2 ILE 36 -0.868 -4.667 -13.877 267 3HG2 ILE 36 3HG2 ILE 36 -2.128 -5.412 -12.894 268 1HD1 ILE 36 1HD1 ILE 36 2.283 -5.068 -11.662 269 2HD1 ILE 36 2HD1 ILE 36 2.120 -6.579 -12.555 270 3HD1 ILE 36 3HD1 ILE 36 2.086 -6.590 -10.792 271 H SER 37 H SER 37 1.313 -8.989 -13.097 272 HA SER 37 HA SER 37 1.479 -10.451 -10.584 273 1HB SER 37 2HB SER 37 2.264 -11.203 -13.001 274 2HB SER 37 1HB SER 37 3.743 -10.370 -12.534 275 HG SER 37 HG SER 37 3.671 -12.621 -11.940 276 H THR 38 H THR 38 2.122 -9.390 -8.832 277 HA THR 38 HA THR 38 3.485 -6.962 -8.687 278 HB THR 38 HB THR 38 4.032 -7.586 -6.347 279 HG1 THR 38 HG1 THR 38 4.010 -9.599 -5.754 280 1HG2 THR 38 1HG2 THR 38 1.622 -8.171 -5.684 281 2HG2 THR 38 2HG2 THR 38 1.271 -8.182 -7.411 282 3HG2 THR 38 3HG2 THR 38 1.847 -6.707 -6.639 283 H LYS 39 H LYS 39 4.775 -10.274 -8.609 284 HA LYS 39 HA LYS 39 7.495 -9.596 -8.219 285 1HB LYS 39 2HB LYS 39 8.003 -11.854 -8.997 286 2HB LYS 39 1HB LYS 39 6.605 -11.893 -7.922 287 1HG LYS 39 2HG LYS 39 5.190 -11.693 -10.087 288 2HG LYS 39 1HG LYS 39 6.669 -12.159 -10.928 289 1HD LYS 39 2HD LYS 39 6.030 -13.840 -8.590 290 2HD LYS 39 1HD LYS 39 4.847 -13.933 -9.895 291 1HE LYS 39 2HE LYS 39 6.281 -15.449 -10.797 292 2HE LYS 39 1HE LYS 39 7.202 -14.031 -11.297 293 1HZ LYS 39 1HZ LYS 39 8.563 -15.664 -10.109 294 2HZ LYS 39 2HZ LYS 39 7.578 -15.489 -8.735 295 3HZ LYS 39 3HZ LYS 39 8.505 -14.178 -9.294 296 H GLU 40 H GLU 40 5.457 -9.550 -11.063 297 HA GLU 40 HA GLU 40 7.800 -9.090 -12.794 298 1HB GLU 40 2HB GLU 40 4.917 -9.588 -13.576 299 2HB GLU 40 1HB GLU 40 6.288 -9.459 -14.674 300 1HG GLU 40 2HG GLU 40 7.324 -11.394 -13.303 301 2HG GLU 40 1HG GLU 40 5.695 -11.634 -12.671 302 H LEU 41 H LEU 41 6.552 -7.100 -10.856 303 HA LEU 41 HA LEU 41 5.224 -5.135 -12.464 304 1HB LEU 41 2HB LEU 41 5.448 -5.473 -9.796 305 2HB LEU 41 1HB LEU 41 6.659 -4.235 -10.044 306 HG LEU 41 HG LEU 41 4.061 -3.712 -11.354 307 1HD1 LEU 41 1HD1 LEU 41 4.284 -3.478 -8.347 308 2HD1 LEU 41 2HD1 LEU 41 3.472 -4.826 -9.142 309 3HD1 LEU 41 3HD1 LEU 41 2.864 -3.183 -9.350 310 1HD2 LEU 41 1HD2 LEU 41 4.512 -1.473 -10.256 311 2HD2 LEU 41 2HD2 LEU 41 5.775 -2.015 -11.361 312 3HD2 LEU 41 3HD2 LEU 41 6.005 -2.163 -9.619 313 H GLY 42 H GLY 42 8.455 -6.131 -12.361 314 1HA GLY 42 2HA GLY 42 9.898 -3.729 -12.614 315 2HA GLY 42 1HA GLY 42 10.381 -5.284 -13.289 316 H LYS 43 H LYS 43 8.040 -5.639 -14.941 317 HA LYS 43 HA LYS 43 8.848 -4.195 -17.282 318 1HB LYS 43 2HB LYS 43 6.355 -5.854 -16.796 319 2HB LYS 43 1HB LYS 43 6.931 -5.302 -18.368 320 1HG LYS 43 2HG LYS 43 8.733 -6.909 -16.565 321 2HG LYS 43 1HG LYS 43 7.552 -7.715 -17.596 322 1HD LYS 43 2HD LYS 43 8.537 -6.845 -19.583 323 2HD LYS 43 1HD LYS 43 9.499 -5.675 -18.680 324 1HE LYS 43 2HE LYS 43 10.678 -7.623 -17.582 325 2HE LYS 43 1HE LYS 43 9.840 -8.683 -18.715 326 1HZ LYS 43 1HZ LYS 43 12.078 -8.018 -19.462 327 2HZ LYS 43 2HZ LYS 43 11.561 -6.400 -19.518 328 3HZ LYS 43 3HZ LYS 43 10.858 -7.557 -20.544 329 H VAL 44 H VAL 44 6.590 -3.626 -14.730 330 HA VAL 44 HA VAL 44 4.986 -1.684 -16.173 331 HB VAL 44 HB VAL 44 5.067 -2.050 -13.177 332 1HG1 VAL 44 1HG1 VAL 44 2.741 -1.377 -14.983 333 2HG1 VAL 44 2HG1 VAL 44 3.832 -0.139 -14.360 334 3HG1 VAL 44 3HG1 VAL 44 2.885 -1.120 -13.244 335 1HG2 VAL 44 1HG2 VAL 44 3.050 -3.525 -14.808 336 2HG2 VAL 44 2HG2 VAL 44 3.765 -3.950 -13.255 337 3HG2 VAL 44 3HG2 VAL 44 4.677 -4.203 -14.742 338 H MET 45 H MET 45 7.385 -1.718 -13.553 339 HA MET 45 HA MET 45 7.534 1.029 -13.056 340 1HB MET 45 2HB MET 45 9.604 -1.158 -12.797 341 2HB MET 45 1HB MET 45 9.912 0.506 -12.296 342 1HG MET 45 2HG MET 45 7.588 -1.168 -11.300 343 2HG MET 45 1HG MET 45 9.105 -0.960 -10.426 344 1HE MET 45 1HE MET 45 10.019 1.623 -9.695 345 2HE MET 45 2HE MET 45 9.299 0.360 -8.701 346 3HE MET 45 3HE MET 45 8.794 2.034 -8.487 347 H ARG 46 H ARG 46 9.353 -0.975 -15.384 348 HA ARG 46 HA ARG 46 11.033 1.085 -16.354 349 1HB ARG 46 2HB ARG 46 11.384 -0.339 -18.327 350 2HB ARG 46 1HB ARG 46 11.474 -1.283 -16.841 351 1HG ARG 46 2HG ARG 46 9.302 -2.205 -17.176 352 2HG ARG 46 1HG ARG 46 8.917 -1.037 -18.437 353 1HD ARG 46 2HD ARG 46 10.814 -2.021 -19.789 354 2HD ARG 46 1HD ARG 46 10.920 -3.298 -18.581 355 HE ARG 46 HE ARG 46 8.250 -3.161 -19.436 356 1HH1 ARG 46 2HH1 ARG 46 11.408 -3.909 -20.720 357 2HH1 ARG 46 1HH1 ARG 46 10.804 -5.023 -21.898 358 1HH2 ARG 46 1HH2 ARG 46 7.478 -4.627 -20.986 359 2HH2 ARG 46 2HH2 ARG 46 8.585 -5.429 -22.049 360 H MET 47 H MET 47 7.728 0.180 -17.147 361 HA MET 47 HA MET 47 7.539 1.885 -19.470 362 1HB MET 47 2HB MET 47 5.552 0.321 -17.834 363 2HB MET 47 1HB MET 47 5.017 1.454 -19.075 364 1HG MET 47 2HG MET 47 7.078 -0.677 -19.658 365 2HG MET 47 1HG MET 47 5.349 -0.995 -19.801 366 1HE MET 47 1HE MET 47 8.156 1.267 -22.469 367 2HE MET 47 2HE MET 47 8.140 -0.471 -22.179 368 3HE MET 47 3HE MET 47 8.412 0.636 -20.836 369 H LEU 48 H LEU 48 6.878 2.152 -16.029 370 HA LEU 48 HA LEU 48 5.423 4.638 -16.217 371 1HB LEU 48 2HB LEU 48 6.452 2.902 -14.032 372 2HB LEU 48 1HB LEU 48 6.150 4.582 -13.652 373 HG LEU 48 HG LEU 48 3.836 4.367 -13.980 374 1HD1 LEU 48 1HD1 LEU 48 4.620 2.067 -15.730 375 2HD1 LEU 48 2HD1 LEU 48 3.474 3.369 -16.040 376 3HD1 LEU 48 3HD1 LEU 48 3.026 2.034 -14.976 377 1HD2 LEU 48 1HD2 LEU 48 3.317 2.018 -12.896 378 2HD2 LEU 48 2HD2 LEU 48 4.193 3.236 -11.967 379 3HD2 LEU 48 3HD2 LEU 48 5.073 1.920 -12.745 380 H GLY 49 H GLY 49 8.762 3.667 -15.826 381 1HA GLY 49 2HA GLY 49 10.443 5.304 -16.606 382 2HA GLY 49 1HA GLY 49 9.562 6.520 -15.690 383 H GLN 50 H GLN 50 10.144 3.264 -14.479 384 HA GLN 50 HA GLN 50 12.197 4.295 -12.618 385 1HB GLN 50 2HB GLN 50 10.022 2.372 -11.779 386 2HB GLN 50 1HB GLN 50 11.182 3.209 -10.750 387 1HG GLN 50 2HG GLN 50 9.107 4.648 -12.428 388 2HG GLN 50 1HG GLN 50 8.846 4.196 -10.744 389 1HE2 GLN 50 1HE2 GLN 50 9.391 6.908 -12.303 390 2HE2 GLN 50 2HE2 GLN 50 10.538 7.666 -11.307 391 H ASN 51 H ASN 51 13.548 2.614 -11.679 392 HA ASN 51 HA ASN 51 13.455 -0.049 -12.845 393 1HB ASN 51 2HB ASN 51 14.681 1.533 -14.489 394 2HB ASN 51 1HB ASN 51 15.979 1.537 -13.296 395 1HD2 ASN 51 1HD2 ASN 51 17.483 -0.126 -13.546 396 2HD2 ASN 51 2HD2 ASN 51 17.186 -1.589 -14.353 397 HA PRO 52 HA PRO 52 15.402 0.230 -8.642 398 1HB PRO 52 2HB PRO 52 13.446 -1.102 -7.275 399 2HB PRO 52 1HB PRO 52 13.425 0.643 -7.566 400 1HG PRO 52 2HG PRO 52 11.786 -1.480 -8.789 401 2HG PRO 52 1HG PRO 52 11.447 0.247 -8.618 402 1HD PRO 52 2HD PRO 52 12.363 -1.107 -10.968 403 2HD PRO 52 1HD PRO 52 12.154 0.646 -10.749 404 H THR 53 H THR 53 15.094 -1.932 -6.932 405 HA THR 53 HA THR 53 16.306 -4.142 -8.472 406 HB THR 53 HB THR 53 17.509 -4.723 -6.552 407 HG1 THR 53 HG1 THR 53 16.652 -4.668 -4.635 408 1HG2 THR 53 1HG2 THR 53 18.056 -2.387 -7.363 409 2HG2 THR 53 2HG2 THR 53 18.520 -2.736 -5.698 410 3HG2 THR 53 3HG2 THR 53 17.075 -1.781 -6.030 411 HA PRO 54 HA PRO 54 12.957 -6.855 -7.501 412 1HB PRO 54 2HB PRO 54 14.086 -9.113 -6.436 413 2HB PRO 54 1HB PRO 54 14.166 -8.677 -8.151 414 1HG PRO 54 2HG PRO 54 16.268 -8.500 -6.062 415 2HG PRO 54 1HG PRO 54 16.426 -8.759 -7.804 416 1HD PRO 54 2HD PRO 54 16.877 -6.335 -6.469 417 2HD PRO 54 1HD PRO 54 16.633 -6.513 -8.222 418 H GLU 55 H GLU 55 15.140 -6.299 -4.805 419 HA GLU 55 HA GLU 55 13.241 -7.157 -2.779 420 1HB GLU 55 2HB GLU 55 15.893 -5.707 -2.595 421 2HB GLU 55 1HB GLU 55 14.924 -6.174 -1.197 422 1HG GLU 55 2HG GLU 55 14.965 -8.554 -2.325 423 2HG GLU 55 1HG GLU 55 16.389 -7.922 -3.151 424 H GLU 56 H GLU 56 14.316 -4.172 -4.303 425 HA GLU 56 HA GLU 56 12.956 -2.401 -2.493 426 1HB GLU 56 2HB GLU 56 14.949 -2.022 -4.264 427 2HB GLU 56 1HB GLU 56 13.584 -1.490 -5.245 428 1HG GLU 56 2HG GLU 56 12.941 -0.199 -2.997 429 2HG GLU 56 1HG GLU 56 14.680 -0.317 -2.723 430 H LEU 57 H LEU 57 12.213 -3.845 -5.656 431 HA LEU 57 HA LEU 57 9.818 -2.327 -6.048 432 1HB LEU 57 2HB LEU 57 9.432 -3.658 -7.944 433 2HB LEU 57 1HB LEU 57 11.158 -3.417 -7.867 434 HG LEU 57 HG LEU 57 11.132 -5.769 -6.673 435 1HD1 LEU 57 1HD1 LEU 57 8.396 -5.466 -7.790 436 2HD1 LEU 57 2HD1 LEU 57 8.963 -6.481 -6.464 437 3HD1 LEU 57 3HD1 LEU 57 9.200 -6.998 -8.134 438 1HD2 LEU 57 1HD2 LEU 57 11.444 -6.809 -8.869 439 2HD2 LEU 57 2HD2 LEU 57 12.161 -5.198 -8.877 440 3HD2 LEU 57 3HD2 LEU 57 10.599 -5.472 -9.648 441 H GLN 58 H GLN 58 10.564 -5.406 -4.494 442 HA GLN 58 HA GLN 58 7.846 -6.298 -4.336 443 1HB GLN 58 2HB GLN 58 9.897 -7.777 -4.152 444 2HB GLN 58 1HB GLN 58 10.107 -7.143 -2.519 445 1HG GLN 58 2HG GLN 58 8.853 -9.230 -2.402 446 2HG GLN 58 1HG GLN 58 7.786 -7.894 -1.973 447 1HE2 GLN 58 1HE2 GLN 58 5.951 -7.511 -3.321 448 2HE2 GLN 58 2HE2 GLN 58 5.599 -8.440 -4.697 449 H GLU 59 H GLU 59 10.035 -4.669 -2.027 450 HA GLU 59 HA GLU 59 8.269 -4.659 0.167 451 1HB GLU 59 2HB GLU 59 9.664 -2.844 1.072 452 2HB GLU 59 1HB GLU 59 10.645 -4.157 0.423 453 1HG GLU 59 2HG GLU 59 11.035 -2.904 -1.632 454 2HG GLU 59 1HG GLU 59 9.969 -1.612 -1.082 455 H MET 60 H MET 60 8.551 -2.416 -2.570 456 HA MET 60 HA MET 60 6.747 -0.483 -1.432 457 1HB MET 60 2HB MET 60 6.772 0.583 -3.638 458 2HB MET 60 1HB MET 60 8.410 0.200 -3.113 459 1HG MET 60 2HG MET 60 8.624 -1.568 -4.633 460 2HG MET 60 1HG MET 60 6.881 -1.762 -4.805 461 1HE MET 60 1HE MET 60 7.246 -2.152 -6.975 462 2HE MET 60 2HE MET 60 7.565 -1.016 -8.283 463 3HE MET 60 3HE MET 60 6.003 -0.995 -7.471 464 H ILE 61 H ILE 61 6.433 -3.335 -3.433 465 HA ILE 61 HA ILE 61 3.749 -2.852 -4.312 466 HB ILE 61 HB ILE 61 5.412 -5.374 -4.121 467 1HG1 ILE 61 2HG1 ILE 61 4.372 -3.979 -6.583 468 2HG1 ILE 61 1HG1 ILE 61 5.870 -3.463 -5.809 469 1HG2 ILE 61 1HG2 ILE 61 3.532 -6.584 -4.401 470 2HG2 ILE 61 2HG2 ILE 61 3.222 -5.708 -5.899 471 3HG2 ILE 61 3HG2 ILE 61 2.553 -5.118 -4.380 472 1HD1 ILE 61 1HD1 ILE 61 5.243 -6.196 -6.947 473 2HD1 ILE 61 2HD1 ILE 61 6.666 -5.857 -5.963 474 3HD1 ILE 61 3HD1 ILE 61 6.460 -5.056 -7.520 475 H ASP 62 H ASP 62 5.185 -4.832 -1.726 476 HA ASP 62 HA ASP 62 2.841 -5.886 -0.632 477 1HB ASP 62 2HB ASP 62 5.559 -5.283 0.467 478 2HB ASP 62 1HB ASP 62 4.270 -5.721 1.589 479 H GLU 63 H GLU 63 4.372 -2.736 -0.128 480 HA GLU 63 HA GLU 63 2.791 -1.854 2.049 481 1HB GLU 63 2HB GLU 63 4.398 -0.462 -0.070 482 2HB GLU 63 1HB GLU 63 3.365 0.478 1.007 483 1HG GLU 63 2HG GLU 63 4.495 -0.466 2.963 484 2HG GLU 63 1HG GLU 63 5.488 -1.485 1.922 485 H VAL 64 H VAL 64 2.416 -1.327 -1.469 486 HA VAL 64 HA VAL 64 -0.089 0.057 -1.161 487 HB VAL 64 HB VAL 64 1.413 0.519 -3.060 488 1HG1 VAL 64 1HG1 VAL 64 1.525 -1.117 -4.927 489 2HG1 VAL 64 2HG1 VAL 64 0.671 -2.291 -3.925 490 3HG1 VAL 64 3HG1 VAL 64 2.276 -1.731 -3.456 491 1HG2 VAL 64 1HG2 VAL 64 -0.320 0.958 -4.515 492 2HG2 VAL 64 2HG2 VAL 64 -1.263 0.542 -3.084 493 3HG2 VAL 64 3HG2 VAL 64 -1.008 -0.658 -4.351 494 H ASP 65 H ASP 65 0.849 -3.289 -1.558 495 HA ASP 65 HA ASP 65 -1.751 -4.201 -2.415 496 1HB ASP 65 2HB ASP 65 0.808 -5.322 -2.351 497 2HB ASP 65 1HB ASP 65 -0.102 -6.241 -1.156 498 H GLU 66 H GLU 66 -3.311 -3.647 -0.989 499 HA GLU 66 HA GLU 66 -3.142 -3.600 1.807 500 1HB GLU 66 2HB GLU 66 -5.618 -3.686 1.784 501 2HB GLU 66 1HB GLU 66 -4.976 -2.516 0.634 502 1HG GLU 66 2HG GLU 66 -5.321 -4.052 -1.212 503 2HG GLU 66 1HG GLU 66 -5.779 -5.345 -0.105 504 H ASP 67 H ASP 67 -3.875 -6.260 -0.379 505 HA ASP 67 HA ASP 67 -4.395 -8.042 1.902 506 1HB ASP 67 2HB ASP 67 -4.928 -9.706 -0.008 507 2HB ASP 67 1HB ASP 67 -6.068 -8.401 0.304 508 H GLY 68 H GLY 68 -2.122 -7.529 -0.747 509 1HA GLY 68 2HA GLY 68 0.037 -8.315 -1.034 510 2HA GLY 68 1HA GLY 68 -0.062 -9.020 0.578 511 H SER 69 H SER 69 -1.980 -9.532 -2.371 512 HA SER 69 HA SER 69 -1.875 -12.415 -1.999 513 1HB SER 69 2HB SER 69 -3.390 -12.434 -3.996 514 2HB SER 69 1HB SER 69 -3.997 -11.480 -2.647 515 HG SER 69 HG SER 69 -4.197 -10.210 -4.440 516 H GLY 70 H GLY 70 0.234 -10.281 -3.421 517 1HA GLY 70 2HA GLY 70 2.118 -10.774 -4.706 518 2HA GLY 70 1HA GLY 70 1.438 -12.362 -5.053 519 H THR 71 H THR 71 -0.756 -9.775 -5.481 520 HA THR 71 HA THR 71 -0.134 -9.398 -8.313 521 HB THR 71 HB THR 71 -2.335 -10.020 -9.071 522 HG1 THR 71 HG1 THR 71 -3.957 -10.455 -7.717 523 1HG2 THR 71 1HG2 THR 71 -1.261 -12.127 -7.172 524 2HG2 THR 71 2HG2 THR 71 -0.743 -11.877 -8.840 525 3HG2 THR 71 3HG2 THR 71 -2.383 -12.429 -8.499 526 H VAL 72 H VAL 72 -0.574 -7.357 -8.963 527 HA VAL 72 HA VAL 72 -1.655 -5.530 -6.962 528 HB VAL 72 HB VAL 72 -0.666 -4.797 -9.719 529 1HG1 VAL 72 1HG1 VAL 72 -2.003 -3.187 -8.204 530 2HG1 VAL 72 2HG1 VAL 72 -0.459 -2.611 -8.829 531 3HG1 VAL 72 3HG1 VAL 72 -0.576 -3.186 -7.166 532 1HG2 VAL 72 1HG2 VAL 72 1.506 -4.313 -8.542 533 2HG2 VAL 72 2HG2 VAL 72 1.128 -6.033 -8.648 534 3HG2 VAL 72 3HG2 VAL 72 0.875 -5.165 -7.132 535 H ASP 73 H ASP 73 -3.670 -4.883 -6.915 536 HA ASP 73 HA ASP 73 -5.511 -5.541 -9.078 537 1HB ASP 73 2HB ASP 73 -5.940 -4.150 -6.410 538 2HB ASP 73 1HB ASP 73 -7.225 -4.548 -7.550 539 H PHE 74 H PHE 74 -6.932 -3.819 -9.997 540 HA PHE 74 HA PHE 74 -5.445 -1.685 -11.047 541 1HB PHE 74 2HB PHE 74 -7.596 -2.630 -11.989 542 2HB PHE 74 1HB PHE 74 -8.454 -1.680 -10.778 543 HD1 PHE 74 HD1 PHE 74 -5.379 -0.895 -12.761 544 HD2 PHE 74 HD2 PHE 74 -9.479 0.071 -11.938 545 HE1 PHE 74 HE1 PHE 74 -5.205 1.099 -14.223 546 HE2 PHE 74 HE2 PHE 74 -9.304 2.067 -13.395 547 HZ PHE 74 HZ PHE 74 -7.169 2.581 -14.540 548 H ASP 75 H ASP 75 -7.354 -1.927 -8.109 549 HA ASP 75 HA ASP 75 -7.455 0.882 -7.535 550 1HB ASP 75 2HB ASP 75 -7.707 -1.527 -5.707 551 2HB ASP 75 1HB ASP 75 -8.025 0.139 -5.223 552 H GLU 76 H GLU 76 -5.337 -1.810 -6.561 553 HA GLU 76 HA GLU 76 -3.614 -0.245 -4.894 554 1HB GLU 76 2HB GLU 76 -3.014 -2.862 -6.309 555 2HB GLU 76 1HB GLU 76 -2.111 -2.177 -4.958 556 1HG GLU 76 2HG GLU 76 -4.037 -2.395 -3.487 557 2HG GLU 76 1HG GLU 76 -5.055 -2.908 -4.830 558 H PHE 77 H PHE 77 -3.778 -0.965 -8.309 559 HA PHE 77 HA PHE 77 -1.159 -0.208 -9.092 560 1HB PHE 77 2HB PHE 77 -3.241 -1.369 -10.363 561 2HB PHE 77 1HB PHE 77 -3.453 0.279 -10.928 562 HD1 PHE 77 HD1 PHE 77 -3.034 -0.512 -13.208 563 HD2 PHE 77 HD2 PHE 77 -0.024 -0.841 -10.145 564 HE1 PHE 77 HE1 PHE 77 -1.301 -0.898 -14.933 565 HE2 PHE 77 HE2 PHE 77 1.694 -1.215 -11.880 566 HZ PHE 77 HZ PHE 77 1.056 -1.248 -14.276 567 H LEU 78 H LEU 78 -4.260 1.543 -9.119 568 HA LEU 78 HA LEU 78 -3.122 4.039 -9.945 569 1HB LEU 78 2HB LEU 78 -5.790 3.122 -8.981 570 2HB LEU 78 1HB LEU 78 -5.435 4.840 -8.936 571 HG LEU 78 HG LEU 78 -5.203 4.939 -11.312 572 1HD1 LEU 78 1HD1 LEU 78 -5.468 1.924 -11.380 573 2HD1 LEU 78 2HD1 LEU 78 -3.936 2.785 -11.519 574 3HD1 LEU 78 3HD1 LEU 78 -5.178 2.995 -12.751 575 1HD2 LEU 78 1HD2 LEU 78 -7.543 4.608 -10.249 576 2HD2 LEU 78 2HD2 LEU 78 -7.471 2.986 -10.937 577 3HD2 LEU 78 3HD2 LEU 78 -7.400 4.395 -11.994 578 H VAL 79 H VAL 79 -3.685 2.495 -6.851 579 HA VAL 79 HA VAL 79 -3.587 4.759 -5.167 580 HB VAL 79 HB VAL 79 -3.188 1.828 -4.835 581 1HG1 VAL 79 1HG1 VAL 79 -2.209 3.853 -2.799 582 2HG1 VAL 79 2HG1 VAL 79 -1.218 2.671 -3.658 583 3HG1 VAL 79 3HG1 VAL 79 -2.425 2.129 -2.490 584 1HG2 VAL 79 1HG2 VAL 79 -4.608 3.785 -3.030 585 2HG2 VAL 79 2HG2 VAL 79 -4.949 2.072 -3.276 586 3HG2 VAL 79 3HG2 VAL 79 -5.336 3.239 -4.540 587 H MET 80 H MET 80 -1.026 2.610 -6.379 588 HA MET 80 HA MET 80 1.197 3.621 -5.099 589 1HB MET 80 2HB MET 80 0.750 1.882 -7.227 590 2HB MET 80 1HB MET 80 1.762 3.153 -7.913 591 1HG MET 80 2HG MET 80 3.218 2.880 -5.800 592 2HG MET 80 1HG MET 80 2.347 1.367 -5.552 593 1HE MET 80 1HE MET 80 1.938 -0.298 -7.342 594 2HE MET 80 2HE MET 80 3.365 -0.860 -6.476 595 3HE MET 80 3HE MET 80 3.311 -0.968 -8.234 596 H MET 81 H MET 81 -0.643 5.116 -7.714 597 HA MET 81 HA MET 81 1.290 7.031 -8.531 598 1HB MET 81 2HB MET 81 -0.719 6.550 -9.874 599 2HB MET 81 1HB MET 81 -1.736 7.223 -8.601 600 1HG MET 81 2HG MET 81 -1.442 9.287 -9.447 601 2HG MET 81 1HG MET 81 0.299 9.143 -9.213 602 1HE MET 81 1HE MET 81 2.042 8.746 -11.647 603 2HE MET 81 2HE MET 81 1.465 7.163 -12.160 604 3HE MET 81 3HE MET 81 1.575 7.539 -10.442 605 H VAL 82 H VAL 82 -1.531 7.375 -6.353 606 HA VAL 82 HA VAL 82 -0.819 9.983 -5.445 607 HB VAL 82 HB VAL 82 -2.478 9.594 -3.646 608 1HG1 VAL 82 1HG1 VAL 82 -4.406 8.972 -5.264 609 2HG1 VAL 82 2HG1 VAL 82 -3.150 8.887 -6.499 610 3HG1 VAL 82 3HG1 VAL 82 -3.443 10.400 -5.639 611 1HG2 VAL 82 1HG2 VAL 82 -3.616 7.494 -3.416 612 2HG2 VAL 82 2HG2 VAL 82 -1.891 7.125 -3.415 613 3HG2 VAL 82 3HG2 VAL 82 -2.851 6.848 -4.869 614 H ARG 83 H ARG 83 0.013 6.740 -4.411 615 HA ARG 83 HA ARG 83 0.979 7.227 -1.825 616 1HB ARG 83 2HB ARG 83 1.765 5.231 -3.946 617 2HB ARG 83 1HB ARG 83 2.576 5.279 -2.382 618 1HG ARG 83 2HG ARG 83 -0.373 5.335 -2.230 619 2HG ARG 83 1HG ARG 83 0.300 3.845 -2.895 620 1HD ARG 83 2HD ARG 83 1.873 3.789 -0.911 621 2HD ARG 83 1HD ARG 83 0.952 5.124 -0.227 622 HE ARG 83 HE ARG 83 -0.757 2.940 -0.941 623 1HH1 ARG 83 2HH1 ARG 83 1.531 4.049 1.452 624 2HH1 ARG 83 1HH1 ARG 83 0.846 3.102 2.727 625 1HH2 ARG 83 1HH2 ARG 83 -1.638 1.707 0.744 626 2HH2 ARG 83 2HH2 ARG 83 -0.944 1.779 2.329 627 H CYS 84 H CYS 84 2.525 7.597 -4.991 628 HA CYS 84 HA CYS 84 5.127 8.233 -4.013 629 1HB CYS 84 2HB CYS 84 3.739 8.700 -6.649 630 2HB CYS 84 1HB CYS 84 5.369 9.297 -6.342 631 HG CYS 84 HG CYS 84 4.579 6.275 -6.414 632 H MET 85 H MET 85 2.279 10.172 -4.837 633 HA MET 85 HA MET 85 3.530 12.720 -4.584 634 1HB MET 85 2HB MET 85 0.668 11.787 -4.535 635 2HB MET 85 1HB MET 85 1.077 13.467 -4.187 636 1HG MET 85 2HG MET 85 2.324 13.559 -6.358 637 2HG MET 85 1HG MET 85 1.749 11.931 -6.713 638 1HE MET 85 1HE MET 85 -0.452 12.840 -9.071 639 2HE MET 85 2HE MET 85 1.272 12.852 -8.711 640 3HE MET 85 3HE MET 85 0.433 14.370 -9.017 641 H LYS 86 H LYS 86 1.345 10.946 -2.362 642 HA LYS 86 HA LYS 86 2.749 12.195 -0.091 643 1HB LYS 86 2HB LYS 86 0.633 13.481 -0.641 644 2HB LYS 86 1HB LYS 86 -0.266 12.026 -0.212 645 1HG LYS 86 2HG LYS 86 1.767 12.823 1.776 646 2HG LYS 86 1HG LYS 86 0.456 13.984 1.572 647 1HD LYS 86 2HD LYS 86 -1.208 12.343 2.088 648 2HD LYS 86 1HD LYS 86 -0.041 11.025 1.967 649 1HE LYS 86 2HE LYS 86 0.081 11.237 4.233 650 2HE LYS 86 1HE LYS 86 1.144 12.594 3.866 651 1HZ LYS 86 1HZ LYS 86 -0.754 14.073 3.942 652 2HZ LYS 86 2HZ LYS 86 -0.618 13.218 5.404 653 3HZ LYS 86 3HZ LYS 86 -1.795 12.772 4.261 654 H ASP 87 H ASP 87 3.302 10.747 1.374 655 HA ASP 87 HA ASP 87 1.588 8.576 2.157 656 1HB ASP 87 2HB ASP 87 2.970 6.721 1.483 657 2HB ASP 87 1HB ASP 87 2.611 7.678 0.050 658 H ASP 88 H ASP 88 2.866 10.806 3.433 659 HA ASP 88 HA ASP 88 3.950 11.319 5.379 660 1HB ASP 88 2HB ASP 88 2.665 9.164 6.070 661 2HB ASP 88 1HB ASP 88 4.251 8.397 6.000 662 H SER 89 HN SER 89 5.759 12.129 4.319 663 HA SER 89 HA SER 89 8.026 10.356 3.804 664 1HB SER 89 2HB SER 89 9.129 12.520 3.052 665 2HB SER 89 1HB SER 89 7.725 12.012 2.119 666 HG SER 89 HG SER 89 6.769 13.779 2.716 Start of MODEL 6 1 1H MET 1 1H MET 1 -8.347 3.396 7.289 2 2H MET 1 2H MET 1 -7.514 2.411 8.390 3 3H MET 1 3H MET 1 -6.657 3.273 7.204 4 HA MET 1 HA MET 1 -8.315 4.668 9.215 5 1HB MET 1 2HB MET 1 -6.275 4.933 10.590 6 2HB MET 1 1HB MET 1 -6.741 3.239 10.454 7 1HG MET 1 2HG MET 1 -4.891 4.202 8.349 8 2HG MET 1 1HG MET 1 -4.216 4.159 9.977 9 1HE MET 1 1HE MET 1 -4.863 2.063 11.598 10 2HE MET 1 2HE MET 1 -3.214 2.191 10.992 11 3HE MET 1 3HE MET 1 -4.013 0.621 11.028 12 H ASN 2 H ASN 2 -7.662 5.071 6.313 13 HA ASN 2 HA ASN 2 -6.742 7.821 6.543 14 1HB ASN 2 2HB ASN 2 -5.114 5.672 5.274 15 2HB ASN 2 1HB ASN 2 -5.192 7.231 4.453 16 1HD2 ASN 2 1HD2 ASN 2 -4.590 9.187 5.825 17 2HD2 ASN 2 2HD2 ASN 2 -3.454 8.975 7.068 18 H ASP 3 H ASP 3 -7.918 9.061 5.239 19 HA ASP 3 HA ASP 3 -9.474 7.766 3.092 20 1HB ASP 3 2HB ASP 3 -9.913 10.184 4.802 21 2HB ASP 3 1HB ASP 3 -10.675 10.103 3.214 22 H ILE 4 H ILE 4 -6.649 9.520 3.414 23 HA ILE 4 HA ILE 4 -6.916 11.372 1.254 24 HB ILE 4 HB ILE 4 -4.459 11.575 1.372 25 1HG1 ILE 4 2HG1 ILE 4 -3.611 10.181 3.547 26 2HG1 ILE 4 1HG1 ILE 4 -4.783 9.037 2.893 27 1HG2 ILE 4 1HG2 ILE 4 -5.758 11.469 4.110 28 2HG2 ILE 4 2HG2 ILE 4 -5.940 12.796 2.962 29 3HG2 ILE 4 3HG2 ILE 4 -4.357 12.436 3.652 30 1HD1 ILE 4 1HD1 ILE 4 -2.797 10.337 1.051 31 2HD1 ILE 4 2HD1 ILE 4 -3.619 8.785 0.885 32 3HD1 ILE 4 3HD1 ILE 4 -2.299 8.967 2.041 33 H TYR 5 H TYR 5 -5.992 8.001 1.480 34 HA TYR 5 HA TYR 5 -4.810 7.778 -1.118 35 1HB TYR 5 2HB TYR 5 -6.096 5.626 0.590 36 2HB TYR 5 1HB TYR 5 -5.062 5.350 -0.811 37 HD1 TYR 5 HD1 TYR 5 -2.651 5.985 -0.742 38 HD2 TYR 5 HD2 TYR 5 -5.178 6.273 2.719 39 HE1 TYR 5 HE1 TYR 5 -0.650 6.166 0.705 40 HE2 TYR 5 HE2 TYR 5 -3.176 6.455 4.167 41 HH TYR 5 HH TYR 5 -0.342 5.541 3.512 42 H LYS 6 H LYS 6 -8.066 7.345 0.182 43 HA LYS 6 HA LYS 6 -9.155 6.510 -2.386 44 1HB LYS 6 2HB LYS 6 -10.195 6.783 0.390 45 2HB LYS 6 1HB LYS 6 -11.357 6.919 -0.929 46 1HG LYS 6 2HG LYS 6 -10.805 4.754 -1.773 47 2HG LYS 6 1HG LYS 6 -9.368 4.647 -0.756 48 1HD LYS 6 2HD LYS 6 -11.894 5.097 0.713 49 2HD LYS 6 1HD LYS 6 -11.781 3.541 -0.107 50 1HE LYS 6 2HE LYS 6 -9.987 2.835 1.173 51 2HE LYS 6 1HE LYS 6 -9.411 4.477 1.461 52 1HZ LYS 6 1HZ LYS 6 -11.888 3.328 2.632 53 2HZ LYS 6 2HZ LYS 6 -11.217 4.853 2.973 54 3HZ LYS 6 3HZ LYS 6 -10.401 3.437 3.441 55 H ALA 7 H ALA 7 -8.594 9.479 -0.724 56 HA ALA 7 HA ALA 7 -10.727 11.013 -1.844 57 1HB ALA 7 1HB ALA 7 -9.663 11.872 0.118 58 2HB ALA 7 2HB ALA 7 -9.264 12.974 -1.200 59 3HB ALA 7 3HB ALA 7 -8.072 11.802 -0.639 60 H ALA 8 H ALA 8 -7.545 10.069 -2.986 61 HA ALA 8 HA ALA 8 -7.535 12.015 -5.148 62 1HB ALA 8 1HB ALA 8 -5.426 11.047 -5.782 63 2HB ALA 8 2HB ALA 8 -5.722 9.623 -4.784 64 3HB ALA 8 3HB ALA 8 -5.436 11.190 -4.024 65 H VAL 9 H VAL 9 -8.008 8.511 -4.785 66 HA VAL 9 HA VAL 9 -8.291 7.945 -7.551 67 HB VAL 9 HB VAL 9 -7.847 6.237 -5.756 68 1HG1 VAL 9 1HG1 VAL 9 -10.837 6.439 -5.295 69 2HG1 VAL 9 2HG1 VAL 9 -9.618 7.075 -4.191 70 3HG1 VAL 9 3HG1 VAL 9 -9.714 5.342 -4.492 71 1HG2 VAL 9 1HG2 VAL 9 -8.932 4.499 -6.950 72 2HG2 VAL 9 2HG2 VAL 9 -8.741 5.789 -8.136 73 3HG2 VAL 9 3HG2 VAL 9 -10.304 5.528 -7.364 74 H GLU 10 H GLU 10 -10.500 9.286 -5.204 75 HA GLU 10 HA GLU 10 -12.868 8.703 -6.755 76 1HB GLU 10 2HB GLU 10 -14.068 9.959 -5.072 77 2HB GLU 10 1HB GLU 10 -12.912 8.896 -4.272 78 1HG GLU 10 2HG GLU 10 -11.490 10.652 -3.688 79 2HG GLU 10 1HG GLU 10 -12.102 11.708 -4.958 80 H GLN 11 H GLN 11 -10.452 11.187 -6.754 81 HA GLN 11 HA GLN 11 -12.121 12.718 -8.655 82 1HB GLN 11 2HB GLN 11 -11.288 14.828 -7.758 83 2HB GLN 11 1HB GLN 11 -12.096 13.910 -6.488 84 1HG GLN 11 2HG GLN 11 -9.728 12.989 -5.944 85 2HG GLN 11 1HG GLN 11 -9.141 14.350 -6.899 86 1HE2 GLN 11 1HE2 GLN 11 -11.571 13.786 -4.269 87 2HE2 GLN 11 2HE2 GLN 11 -11.180 15.203 -3.421 88 H LEU 12 H LEU 12 -9.996 10.721 -9.080 89 HA LEU 12 HA LEU 12 -7.639 12.168 -9.930 90 1HB LEU 12 2HB LEU 12 -7.214 9.902 -11.159 91 2HB LEU 12 1HB LEU 12 -7.031 10.023 -9.426 92 HG LEU 12 HG LEU 12 -9.147 8.908 -9.072 93 1HD1 LEU 12 1HD1 LEU 12 -10.572 9.674 -10.788 94 2HD1 LEU 12 2HD1 LEU 12 -10.304 7.980 -11.202 95 3HD1 LEU 12 3HD1 LEU 12 -9.421 9.246 -12.055 96 1HD2 LEU 12 1HD2 LEU 12 -7.408 7.576 -11.167 97 2HD2 LEU 12 2HD2 LEU 12 -8.650 6.732 -10.240 98 3HD2 LEU 12 3HD2 LEU 12 -7.259 7.434 -9.415 99 H THR 13 H THR 13 -6.845 11.755 -12.266 100 HA THR 13 HA THR 13 -8.924 12.793 -14.054 101 HB THR 13 HB THR 13 -6.665 12.730 -15.578 102 HG1 THR 13 HG1 THR 13 -5.247 12.071 -14.086 103 1HG2 THR 13 1HG2 THR 13 -6.364 15.134 -14.421 104 2HG2 THR 13 2HG2 THR 13 -7.962 14.725 -13.799 105 3HG2 THR 13 3HG2 THR 13 -7.679 14.776 -15.539 106 H ASP 14 H ASP 14 -8.892 12.021 -16.335 107 HA ASP 14 HA ASP 14 -9.353 9.199 -16.439 108 1HB ASP 14 2HB ASP 14 -9.310 11.396 -18.498 109 2HB ASP 14 1HB ASP 14 -9.456 9.705 -18.982 110 H GLU 15 H GLU 15 -6.697 11.333 -17.269 111 HA GLU 15 HA GLU 15 -5.161 9.521 -18.828 112 1HB GLU 15 2HB GLU 15 -4.359 11.904 -17.144 113 2HB GLU 15 1HB GLU 15 -3.233 11.010 -18.167 114 1HG GLU 15 2HG GLU 15 -4.029 11.964 -20.062 115 2HG GLU 15 1HG GLU 15 -5.707 11.752 -19.562 116 H GLN 16 H GLN 16 -5.487 10.055 -15.359 117 HA GLN 16 HA GLN 16 -3.246 8.455 -14.568 118 1HB GLN 16 2HB GLN 16 -5.477 9.853 -13.233 119 2HB GLN 16 1HB GLN 16 -4.904 8.406 -12.401 120 1HG GLN 16 2HG GLN 16 -2.701 9.250 -12.205 121 2HG GLN 16 1HG GLN 16 -2.982 10.496 -13.423 122 1HE2 GLN 16 1HE2 GLN 16 -4.855 9.553 -10.475 123 2HE2 GLN 16 2HE2 GLN 16 -4.868 11.117 -9.816 124 H LYS 17 H LYS 17 -6.743 7.897 -14.858 125 HA LYS 17 HA LYS 17 -6.803 5.253 -13.871 126 1HB LYS 17 2HB LYS 17 -8.578 6.684 -15.860 127 2HB LYS 17 1HB LYS 17 -8.907 5.056 -15.270 128 1HG LYS 17 2HG LYS 17 -9.408 5.778 -13.129 129 2HG LYS 17 1HG LYS 17 -8.367 7.196 -13.250 130 1HD LYS 17 2HD LYS 17 -10.609 8.026 -13.314 131 2HD LYS 17 1HD LYS 17 -10.017 8.103 -14.972 132 1HE LYS 17 2HE LYS 17 -11.042 5.641 -15.068 133 2HE LYS 17 1HE LYS 17 -12.052 6.275 -13.769 134 1HZ LYS 17 1HZ LYS 17 -11.684 7.560 -16.422 135 2HZ LYS 17 2HZ LYS 17 -12.709 8.097 -15.178 136 3HZ LYS 17 3HZ LYS 17 -13.027 6.628 -15.970 137 H ASN 18 H ASN 18 -6.287 6.557 -17.132 138 HA ASN 18 HA ASN 18 -6.077 3.942 -18.351 139 1HB ASN 18 2HB ASN 18 -5.696 6.762 -19.312 140 2HB ASN 18 1HB ASN 18 -5.136 5.407 -20.293 141 1HD2 ASN 18 1HD2 ASN 18 -8.081 6.689 -18.675 142 2HD2 ASN 18 2HD2 ASN 18 -9.170 5.929 -19.732 143 H GLU 19 H GLU 19 -3.885 6.202 -16.847 144 HA GLU 19 HA GLU 19 -1.445 5.522 -18.021 145 1HB GLU 19 2HB GLU 19 -1.788 7.354 -16.346 146 2HB GLU 19 1HB GLU 19 -1.887 6.125 -15.086 147 1HG GLU 19 2HG GLU 19 0.378 5.352 -15.630 148 2HG GLU 19 1HG GLU 19 0.480 6.530 -16.940 149 H PHE 20 H PHE 20 -3.029 4.056 -15.169 150 HA PHE 20 HA PHE 20 -1.048 1.923 -15.071 151 1HB PHE 20 2HB PHE 20 -3.458 2.624 -13.413 152 2HB PHE 20 1HB PHE 20 -2.634 1.079 -13.226 153 HD1 PHE 20 HD1 PHE 20 -2.459 4.684 -12.662 154 HD2 PHE 20 HD2 PHE 20 -0.249 1.002 -12.501 155 HE1 PHE 20 HE1 PHE 20 -0.753 5.772 -11.229 156 HE2 PHE 20 HE2 PHE 20 1.446 2.081 -11.056 157 HZ PHE 20 HZ PHE 20 1.200 4.469 -10.424 158 H LYS 21 H LYS 21 -4.528 2.266 -15.777 159 HA LYS 21 HA LYS 21 -5.191 -0.409 -16.142 160 1HB LYS 21 2HB LYS 21 -6.843 1.417 -16.129 161 2HB LYS 21 1HB LYS 21 -6.264 1.947 -17.706 162 1HG LYS 21 2HG LYS 21 -6.966 -0.923 -17.540 163 2HG LYS 21 1HG LYS 21 -8.324 0.183 -17.341 164 1HD LYS 21 2HD LYS 21 -6.426 0.797 -19.550 165 2HD LYS 21 1HD LYS 21 -7.458 -0.617 -19.765 166 1HE LYS 21 2HE LYS 21 -9.437 0.653 -19.630 167 2HE LYS 21 1HE LYS 21 -8.621 2.011 -18.854 168 1HZ LYS 21 1HZ LYS 21 -9.119 2.438 -21.196 169 2HZ LYS 21 2HZ LYS 21 -8.157 1.112 -21.648 170 3HZ LYS 21 3HZ LYS 21 -7.449 2.462 -20.895 171 H ALA 22 H ALA 22 -3.488 1.763 -18.347 172 HA ALA 22 HA ALA 22 -3.701 0.244 -20.715 173 1HB ALA 22 1HB ALA 22 -2.805 2.490 -20.811 174 2HB ALA 22 2HB ALA 22 -1.554 1.376 -21.364 175 3HB ALA 22 3HB ALA 22 -1.477 2.050 -19.736 176 H ALA 23 H ALA 23 -1.053 0.333 -18.325 177 HA ALA 23 HA ALA 23 0.356 -1.905 -19.370 178 1HB ALA 23 1HB ALA 23 0.397 -0.458 -16.723 179 2HB ALA 23 2HB ALA 23 1.636 -0.491 -17.980 180 3HB ALA 23 3HB ALA 23 1.355 -1.916 -16.979 181 H PHE 24 H PHE 24 -2.097 -1.489 -16.872 182 HA PHE 24 HA PHE 24 -2.073 -4.052 -15.738 183 1HB PHE 24 2HB PHE 24 -3.366 -1.942 -14.999 184 2HB PHE 24 1HB PHE 24 -4.602 -2.461 -16.144 185 HD1 PHE 24 HD1 PHE 24 -5.618 -4.772 -15.897 186 HD2 PHE 24 HD2 PHE 24 -3.127 -2.993 -12.886 187 HE1 PHE 24 HE1 PHE 24 -6.473 -6.394 -14.230 188 HE2 PHE 24 HE2 PHE 24 -3.982 -4.614 -11.222 189 HZ PHE 24 HZ PHE 24 -5.655 -6.313 -11.896 190 H ASP 25 H ASP 25 -3.846 -2.806 -18.564 191 HA ASP 25 HA ASP 25 -5.399 -5.119 -19.052 192 1HB ASP 25 2HB ASP 25 -5.629 -2.734 -20.041 193 2HB ASP 25 1HB ASP 25 -4.474 -3.291 -21.253 194 H ILE 26 H ILE 26 -2.243 -4.101 -20.374 195 HA ILE 26 HA ILE 26 -2.001 -6.362 -22.116 196 HB ILE 26 HB ILE 26 0.380 -5.658 -22.346 197 1HG1 ILE 26 2HG1 ILE 26 -0.417 -3.467 -20.399 198 2HG1 ILE 26 1HG1 ILE 26 0.634 -4.822 -19.995 199 1HG2 ILE 26 1HG2 ILE 26 -0.148 -3.470 -23.376 200 2HG2 ILE 26 2HG2 ILE 26 -1.691 -3.447 -22.521 201 3HG2 ILE 26 3HG2 ILE 26 -1.382 -4.673 -23.752 202 1HD1 ILE 26 1HD1 ILE 26 1.505 -2.404 -20.960 203 2HD1 ILE 26 2HD1 ILE 26 1.436 -3.376 -22.431 204 3HD1 ILE 26 3HD1 ILE 26 2.413 -3.912 -21.064 205 H PHE 27 H PHE 27 -0.873 -5.695 -18.819 206 HA PHE 27 HA PHE 27 0.704 -8.110 -18.676 207 1HB PHE 27 2HB PHE 27 -0.197 -6.188 -16.519 208 2HB PHE 27 1HB PHE 27 0.877 -7.559 -16.242 209 HD1 PHE 27 HD1 PHE 27 2.613 -7.605 -18.570 210 HD2 PHE 27 HD2 PHE 27 1.087 -4.228 -16.396 211 HE1 PHE 27 HE1 PHE 27 4.529 -6.239 -19.348 212 HE2 PHE 27 HE2 PHE 27 3.005 -2.862 -17.184 213 HZ PHE 27 HZ PHE 27 4.723 -3.868 -18.656 214 H ILE 28 H ILE 28 -2.602 -7.213 -17.868 215 HA ILE 28 HA ILE 28 -3.034 -9.852 -16.636 216 HB ILE 28 HB ILE 28 -3.799 -7.498 -15.680 217 1HG1 ILE 28 2HG1 ILE 28 -4.128 -9.790 -14.708 218 2HG1 ILE 28 1HG1 ILE 28 -5.414 -8.646 -14.330 219 1HG2 ILE 28 1HG2 ILE 28 -5.870 -6.692 -16.325 220 2HG2 ILE 28 2HG2 ILE 28 -6.372 -8.225 -17.034 221 3HG2 ILE 28 3HG2 ILE 28 -5.208 -7.202 -17.877 222 1HD1 ILE 28 1HD1 ILE 28 -6.725 -9.601 -16.257 223 2HD1 ILE 28 2HD1 ILE 28 -6.437 -10.749 -14.948 224 3HD1 ILE 28 3HD1 ILE 28 -5.476 -10.834 -16.423 225 H GLN 29 H GLN 29 -2.520 -9.738 -19.389 226 HA GLN 29 HA GLN 29 -4.985 -9.868 -20.885 227 1HB GLN 29 2HB GLN 29 -2.745 -9.196 -21.851 228 2HB GLN 29 1HB GLN 29 -2.262 -10.887 -21.721 229 1HG GLN 29 2HG GLN 29 -4.016 -11.583 -23.215 230 2HG GLN 29 1HG GLN 29 -4.741 -9.973 -23.202 231 1HE2 GLN 29 1HE2 GLN 29 -3.277 -8.166 -24.100 232 2HE2 GLN 29 2HE2 GLN 29 -2.230 -8.570 -25.374 233 H ASP 30 H ASP 30 -2.488 -12.265 -19.988 234 HA ASP 30 HA ASP 30 -4.284 -14.465 -20.647 235 1HB ASP 30 2HB ASP 30 -1.659 -14.290 -20.970 236 2HB ASP 30 1HB ASP 30 -1.645 -14.907 -19.319 237 H ALA 31 H ALA 31 -4.007 -12.512 -17.968 238 HA ALA 31 HA ALA 31 -4.354 -14.664 -16.006 239 1HB ALA 31 1HB ALA 31 -3.739 -11.752 -15.860 240 2HB ALA 31 2HB ALA 31 -3.036 -13.098 -14.966 241 3HB ALA 31 3HB ALA 31 -4.619 -12.469 -14.510 242 H GLU 32 H GLU 32 -6.180 -14.734 -14.617 243 HA GLU 32 HA GLU 32 -8.584 -13.321 -15.601 244 1HB GLU 32 2HB GLU 32 -8.268 -16.277 -15.072 245 2HB GLU 32 1HB GLU 32 -9.845 -15.489 -15.090 246 1HG GLU 32 2HG GLU 32 -7.901 -15.181 -17.381 247 2HG GLU 32 1HG GLU 32 -9.032 -16.530 -17.305 248 H ASP 33 H ASP 33 -6.934 -12.649 -13.355 249 HA ASP 33 HA ASP 33 -8.824 -13.192 -11.139 250 1HB ASP 33 2HB ASP 33 -5.821 -13.115 -11.145 251 2HB ASP 33 1HB ASP 33 -6.722 -12.745 -9.675 252 H GLY 34 H GLY 34 -7.697 -10.810 -13.188 253 1HA GLY 34 2HA GLY 34 -7.961 -8.523 -13.186 254 2HA GLY 34 1HA GLY 34 -8.880 -8.696 -11.693 255 H CYS 35 H CYS 35 -5.507 -9.584 -12.404 256 HA CYS 35 HA CYS 35 -4.419 -7.382 -10.880 257 1HB CYS 35 2HB CYS 35 -3.285 -8.900 -9.219 258 2HB CYS 35 1HB CYS 35 -5.026 -8.744 -8.998 259 HG CYS 35 HG CYS 35 -5.062 -11.215 -9.164 260 H ILE 36 H ILE 36 -2.222 -7.104 -11.216 261 HA ILE 36 HA ILE 36 -1.089 -8.698 -13.396 262 HB ILE 36 HB ILE 36 0.561 -6.972 -13.643 263 1HG1 ILE 36 2HG1 ILE 36 -0.033 -4.986 -11.767 264 2HG1 ILE 36 1HG1 ILE 36 -0.060 -6.478 -10.826 265 1HG2 ILE 36 1HG2 ILE 36 -0.812 -5.173 -14.268 266 2HG2 ILE 36 2HG2 ILE 36 -1.916 -5.422 -12.916 267 3HG2 ILE 36 3HG2 ILE 36 -1.922 -6.543 -14.278 268 1HD1 ILE 36 1HD1 ILE 36 2.222 -5.087 -11.464 269 2HD1 ILE 36 2HD1 ILE 36 2.178 -6.302 -12.742 270 3HD1 ILE 36 3HD1 ILE 36 2.183 -6.802 -11.048 271 H SER 37 H SER 37 1.474 -8.870 -13.135 272 HA SER 37 HA SER 37 1.854 -10.538 -10.760 273 1HB SER 37 2HB SER 37 2.492 -11.303 -13.103 274 2HB SER 37 1HB SER 37 3.805 -10.132 -13.032 275 HG SER 37 HG SER 37 4.794 -11.318 -11.554 276 H THR 38 H THR 38 2.511 -9.504 -8.986 277 HA THR 38 HA THR 38 3.790 -7.019 -8.820 278 HB THR 38 HB THR 38 4.420 -7.662 -6.523 279 HG1 THR 38 HG1 THR 38 4.769 -9.679 -6.157 280 1HG2 THR 38 1HG2 THR 38 2.217 -6.919 -6.580 281 2HG2 THR 38 2HG2 THR 38 2.036 -8.519 -5.863 282 3HG2 THR 38 3HG2 THR 38 1.682 -8.274 -7.573 283 H LYS 39 H LYS 39 5.094 -10.257 -9.211 284 HA LYS 39 HA LYS 39 7.826 -9.670 -8.717 285 1HB LYS 39 2HB LYS 39 6.846 -11.764 -10.663 286 2HB LYS 39 1HB LYS 39 8.329 -11.778 -9.713 287 1HG LYS 39 2HG LYS 39 5.490 -12.168 -8.744 288 2HG LYS 39 1HG LYS 39 6.850 -13.279 -8.599 289 1HD LYS 39 2HD LYS 39 7.983 -11.685 -7.082 290 2HD LYS 39 1HD LYS 39 6.603 -10.595 -7.210 291 1HE LYS 39 2HE LYS 39 5.132 -12.255 -6.212 292 2HE LYS 39 1HE LYS 39 6.429 -13.451 -6.204 293 1HZ LYS 39 1HZ LYS 39 6.289 -12.521 -4.042 294 2HZ LYS 39 2HZ LYS 39 6.290 -10.932 -4.643 295 3HZ LYS 39 3HZ LYS 39 7.691 -11.889 -4.756 296 H GLU 40 H GLU 40 5.752 -9.321 -11.517 297 HA GLU 40 HA GLU 40 8.030 -8.415 -13.156 298 1HB GLU 40 2HB GLU 40 5.202 -9.183 -13.914 299 2HB GLU 40 1HB GLU 40 6.392 -8.541 -15.046 300 1HG GLU 40 2HG GLU 40 7.926 -10.440 -14.342 301 2HG GLU 40 1HG GLU 40 6.547 -11.129 -13.484 302 H LEU 41 H LEU 41 6.663 -6.843 -10.942 303 HA LEU 41 HA LEU 41 5.042 -4.819 -12.057 304 1HB LEU 41 2HB LEU 41 6.023 -5.385 -9.531 305 2HB LEU 41 1HB LEU 41 6.788 -3.864 -9.931 306 HG LEU 41 HG LEU 41 3.813 -4.242 -10.231 307 1HD1 LEU 41 1HD1 LEU 41 3.513 -3.415 -7.976 308 2HD1 LEU 41 2HD1 LEU 41 5.254 -3.236 -7.762 309 3HD1 LEU 41 3HD1 LEU 41 4.544 -4.844 -7.903 310 1HD2 LEU 41 1HD2 LEU 41 5.360 -1.748 -9.513 311 2HD2 LEU 41 2HD2 LEU 41 3.752 -1.876 -10.230 312 3HD2 LEU 41 3HD2 LEU 41 5.181 -2.256 -11.194 313 H GLY 42 H GLY 42 8.526 -5.280 -12.038 314 1HA GLY 42 2HA GLY 42 9.403 -2.681 -12.630 315 2HA GLY 42 1HA GLY 42 10.218 -4.160 -13.132 316 H LYS 43 H LYS 43 7.924 -5.152 -14.658 317 HA LYS 43 HA LYS 43 8.489 -3.971 -17.190 318 1HB LYS 43 2HB LYS 43 6.190 -5.792 -16.424 319 2HB LYS 43 1HB LYS 43 6.745 -5.452 -18.062 320 1HG LYS 43 2HG LYS 43 8.700 -6.511 -16.041 321 2HG LYS 43 1HG LYS 43 7.579 -7.624 -16.826 322 1HD LYS 43 2HD LYS 43 8.353 -6.581 -19.045 323 2HD LYS 43 1HD LYS 43 9.675 -5.873 -18.117 324 1HE LYS 43 2HE LYS 43 10.603 -7.896 -18.867 325 2HE LYS 43 1HE LYS 43 10.050 -8.303 -17.244 326 1HZ LYS 43 1HZ LYS 43 8.440 -8.743 -19.700 327 2HZ LYS 43 2HZ LYS 43 8.089 -9.290 -18.129 328 3HZ LYS 43 3HZ LYS 43 9.411 -9.933 -18.981 329 H VAL 44 H VAL 44 6.053 -3.400 -14.742 330 HA VAL 44 HA VAL 44 4.477 -1.711 -16.543 331 HB VAL 44 HB VAL 44 2.718 -1.974 -15.137 332 1HG1 VAL 44 1HG1 VAL 44 4.291 -4.021 -13.599 333 2HG1 VAL 44 2HG1 VAL 44 3.943 -4.277 -15.307 334 3HG1 VAL 44 3HG1 VAL 44 2.619 -4.091 -14.157 335 1HG2 VAL 44 1HG2 VAL 44 4.717 -1.487 -12.941 336 2HG2 VAL 44 2HG2 VAL 44 3.123 -2.122 -12.553 337 3HG2 VAL 44 3HG2 VAL 44 3.274 -0.561 -13.358 338 H MET 45 H MET 45 6.646 -1.500 -13.772 339 HA MET 45 HA MET 45 6.316 1.228 -13.151 340 1HB MET 45 2HB MET 45 8.586 -0.716 -12.790 341 2HB MET 45 1HB MET 45 8.782 0.984 -12.367 342 1HG MET 45 2HG MET 45 6.365 -0.486 -11.371 343 2HG MET 45 1HG MET 45 7.912 -0.739 -10.562 344 1HE MET 45 1HE MET 45 8.651 0.195 -8.991 345 2HE MET 45 2HE MET 45 7.339 0.836 -8.005 346 3HE MET 45 3HE MET 45 8.665 1.891 -8.490 347 H ARG 46 H ARG 46 8.425 -0.428 -15.491 348 HA ARG 46 HA ARG 46 9.894 1.847 -16.318 349 1HB ARG 46 2HB ARG 46 10.451 0.573 -18.333 350 2HB ARG 46 1HB ARG 46 10.575 -0.455 -16.908 351 1HG ARG 46 2HG ARG 46 8.259 -1.294 -17.383 352 2HG ARG 46 1HG ARG 46 8.276 -0.368 -18.882 353 1HD ARG 46 2HD ARG 46 10.357 -2.448 -18.176 354 2HD ARG 46 1HD ARG 46 8.929 -2.793 -19.143 355 HE ARG 46 HE ARG 46 10.101 -0.657 -20.413 356 1HH1 ARG 46 2HH1 ARG 46 11.151 -3.832 -19.408 357 2HH1 ARG 46 1HH1 ARG 46 12.316 -3.986 -20.678 358 1HH2 ARG 46 1HH2 ARG 46 11.634 -0.882 -22.071 359 2HH2 ARG 46 2HH2 ARG 46 12.588 -2.322 -22.183 360 H MET 47 H MET 47 6.751 0.568 -17.265 361 HA MET 47 HA MET 47 6.307 2.255 -19.517 362 1HB MET 47 2HB MET 47 4.723 0.407 -17.866 363 2HB MET 47 1HB MET 47 3.797 1.773 -18.483 364 1HG MET 47 2HG MET 47 3.686 -0.018 -20.111 365 2HG MET 47 1HG MET 47 4.694 1.269 -20.773 366 1HE MET 47 1HE MET 47 7.590 1.059 -20.681 367 2HE MET 47 2HE MET 47 6.399 0.890 -21.968 368 3HE MET 47 3HE MET 47 7.702 -0.288 -21.823 369 H LEU 48 H LEU 48 5.803 2.583 -16.044 370 HA LEU 48 HA LEU 48 4.317 5.036 -16.155 371 1HB LEU 48 2HB LEU 48 5.662 3.433 -14.032 372 2HB LEU 48 1HB LEU 48 5.305 5.109 -13.692 373 HG LEU 48 HG LEU 48 2.930 4.716 -13.993 374 1HD1 LEU 48 1HD1 LEU 48 3.518 1.793 -14.471 375 2HD1 LEU 48 2HD1 LEU 48 3.354 2.926 -15.813 376 3HD1 LEU 48 3HD1 LEU 48 2.002 2.658 -14.714 377 1HD2 LEU 48 1HD2 LEU 48 4.590 3.277 -12.084 378 2HD2 LEU 48 2HD2 LEU 48 3.064 2.437 -12.361 379 3HD2 LEU 48 3HD2 LEU 48 3.063 4.117 -11.820 380 H GLY 49 H GLY 49 7.724 4.152 -15.932 381 1HA GLY 49 2HA GLY 49 9.198 5.880 -17.046 382 2HA GLY 49 1HA GLY 49 8.461 7.023 -15.933 383 H GLN 50 H GLN 50 8.882 4.028 -14.384 384 HA GLN 50 HA GLN 50 11.504 4.865 -13.289 385 1HB GLN 50 2HB GLN 50 9.231 3.601 -11.737 386 2HB GLN 50 1HB GLN 50 10.789 4.113 -11.087 387 1HG GLN 50 2HG GLN 50 9.919 6.160 -10.737 388 2HG GLN 50 1HG GLN 50 9.749 6.341 -12.482 389 1HE2 GLN 50 1HE2 GLN 50 7.635 6.624 -13.210 390 2HE2 GLN 50 2HE2 GLN 50 6.246 6.182 -12.340 391 H ASN 51 H ASN 51 12.819 3.137 -12.412 392 HA ASN 51 HA ASN 51 12.066 0.396 -13.089 393 1HB ASN 51 2HB ASN 51 13.269 1.622 -15.090 394 2HB ASN 51 1HB ASN 51 14.719 1.320 -14.134 395 1HD2 ASN 51 1HD2 ASN 51 13.093 -0.008 -16.638 396 2HD2 ASN 51 2HD2 ASN 51 13.377 -1.657 -16.350 397 HA PRO 52 HA PRO 52 14.647 0.639 -9.300 398 1HB PRO 52 2HB PRO 52 12.881 -0.695 -7.693 399 2HB PRO 52 1HB PRO 52 12.807 1.047 -7.995 400 1HG PRO 52 2HG PRO 52 11.061 -1.108 -8.999 401 2HG PRO 52 1HG PRO 52 10.718 0.615 -8.793 402 1HD PRO 52 2HD PRO 52 11.353 -0.732 -11.233 403 2HD PRO 52 1HD PRO 52 11.166 1.021 -10.992 404 H THR 53 H THR 53 14.551 -1.533 -7.552 405 HA THR 53 HA THR 53 15.550 -3.741 -9.244 406 HB THR 53 HB THR 53 17.034 -4.309 -7.537 407 HG1 THR 53 HG1 THR 53 15.728 -2.777 -5.588 408 1HG2 THR 53 1HG2 THR 53 18.112 -2.296 -6.762 409 2HG2 THR 53 2HG2 THR 53 16.632 -1.365 -6.986 410 3HG2 THR 53 3HG2 THR 53 17.497 -1.999 -8.387 411 HA PRO 54 HA PRO 54 12.391 -6.451 -7.776 412 1HB PRO 54 2HB PRO 54 13.681 -8.711 -6.917 413 2HB PRO 54 1HB PRO 54 13.483 -8.264 -8.619 414 1HG PRO 54 2HG PRO 54 15.893 -8.101 -6.897 415 2HG PRO 54 1HG PRO 54 15.769 -8.334 -8.646 416 1HD PRO 54 2HD PRO 54 16.418 -5.926 -7.354 417 2HD PRO 54 1HD PRO 54 15.915 -6.083 -9.052 418 H GLU 55 H GLU 55 14.960 -5.888 -5.443 419 HA GLU 55 HA GLU 55 13.391 -6.783 -3.169 420 1HB GLU 55 2HB GLU 55 15.264 -5.905 -1.808 421 2HB GLU 55 1HB GLU 55 15.818 -7.017 -3.055 422 1HG GLU 55 2HG GLU 55 16.692 -5.275 -4.390 423 2HG GLU 55 1HG GLU 55 15.759 -4.040 -3.546 424 H GLU 56 H GLU 56 14.095 -3.769 -4.844 425 HA GLU 56 HA GLU 56 13.051 -2.048 -2.784 426 1HB GLU 56 2HB GLU 56 13.970 -1.695 -5.604 427 2HB GLU 56 1HB GLU 56 12.937 -0.451 -4.901 428 1HG GLU 56 2HG GLU 56 14.547 -0.478 -2.896 429 2HG GLU 56 1HG GLU 56 15.641 -1.391 -3.935 430 H LEU 57 H LEU 57 11.790 -3.416 -5.824 431 HA LEU 57 HA LEU 57 9.274 -2.067 -5.650 432 1HB LEU 57 2HB LEU 57 8.565 -3.493 -7.450 433 2HB LEU 57 1HB LEU 57 10.169 -2.889 -7.777 434 HG LEU 57 HG LEU 57 10.886 -5.229 -6.736 435 1HD1 LEU 57 1HD1 LEU 57 7.980 -5.488 -7.378 436 2HD1 LEU 57 2HD1 LEU 57 8.931 -6.311 -6.143 437 3HD1 LEU 57 3HD1 LEU 57 9.032 -6.830 -7.825 438 1HD2 LEU 57 1HD2 LEU 57 10.930 -6.115 -9.027 439 2HD2 LEU 57 2HD2 LEU 57 11.332 -4.398 -9.041 440 3HD2 LEU 57 3HD2 LEU 57 9.722 -4.931 -9.525 441 H GLN 58 H GLN 58 10.528 -5.109 -4.408 442 HA GLN 58 HA GLN 58 8.088 -6.402 -3.855 443 1HB GLN 58 2HB GLN 58 10.882 -6.770 -3.126 444 2HB GLN 58 1HB GLN 58 9.798 -7.173 -1.797 445 1HG GLN 58 2HG GLN 58 9.495 -8.219 -4.627 446 2HG GLN 58 1HG GLN 58 10.243 -9.117 -3.306 447 1HE2 GLN 58 1HE2 GLN 58 7.192 -8.146 -4.702 448 2HE2 GLN 58 2HE2 GLN 58 6.198 -8.901 -3.554 449 H GLU 59 H GLU 59 10.124 -4.378 -1.704 450 HA GLU 59 HA GLU 59 8.414 -4.443 0.525 451 1HB GLU 59 2HB GLU 59 9.583 -2.417 1.288 452 2HB GLU 59 1HB GLU 59 10.716 -3.620 0.674 453 1HG GLU 59 2HG GLU 59 11.106 -2.422 -1.316 454 2HG GLU 59 1HG GLU 59 9.645 -1.454 -1.128 455 H MET 60 H MET 60 8.302 -2.486 -2.399 456 HA MET 60 HA MET 60 6.402 -0.567 -1.456 457 1HB MET 60 2HB MET 60 6.906 -1.461 -4.307 458 2HB MET 60 1HB MET 60 6.088 0.017 -3.803 459 1HG MET 60 2HG MET 60 8.774 -0.376 -2.635 460 2HG MET 60 1HG MET 60 8.751 -0.133 -4.380 461 1HE MET 60 1HE MET 60 9.520 2.647 -4.794 462 2HE MET 60 2HE MET 60 10.281 1.550 -3.644 463 3HE MET 60 3HE MET 60 9.880 3.194 -3.151 464 H ILE 61 H ILE 61 6.203 -3.614 -3.217 465 HA ILE 61 HA ILE 61 3.398 -3.633 -3.640 466 HB ILE 61 HB ILE 61 5.337 -5.951 -3.395 467 1HG1 ILE 61 2HG1 ILE 61 4.138 -4.997 -5.965 468 2HG1 ILE 61 1HG1 ILE 61 5.446 -4.044 -5.262 469 1HG2 ILE 61 1HG2 ILE 61 2.526 -5.853 -4.542 470 2HG2 ILE 61 2HG2 ILE 61 2.980 -6.636 -3.028 471 3HG2 ILE 61 3HG2 ILE 61 3.600 -7.252 -4.559 472 1HD1 ILE 61 1HD1 ILE 61 5.723 -7.029 -5.517 473 2HD1 ILE 61 2HD1 ILE 61 6.986 -5.804 -5.418 474 3HD1 ILE 61 3HD1 ILE 61 6.050 -5.986 -6.901 475 H ASP 62 H ASP 62 5.428 -5.122 -1.108 476 HA ASP 62 HA ASP 62 3.436 -6.369 0.387 477 1HB ASP 62 2HB ASP 62 6.080 -5.152 1.142 478 2HB ASP 62 1HB ASP 62 5.016 -5.818 2.381 479 H GLU 63 H GLU 63 4.347 -2.964 0.274 480 HA GLU 63 HA GLU 63 2.784 -2.191 2.569 481 1HB GLU 63 2HB GLU 63 4.284 -0.734 0.422 482 2HB GLU 63 1HB GLU 63 3.113 0.148 1.401 483 1HG GLU 63 2HG GLU 63 4.258 -0.540 3.451 484 2HG GLU 63 1HG GLU 63 5.394 -1.511 2.514 485 H VAL 64 H VAL 64 2.408 -1.550 -0.943 486 HA VAL 64 HA VAL 64 -0.196 -0.459 -0.718 487 HB VAL 64 HB VAL 64 1.241 -0.023 -2.661 488 1HG1 VAL 64 1HG1 VAL 64 1.816 -1.660 -4.258 489 2HG1 VAL 64 2HG1 VAL 64 0.616 -2.802 -3.653 490 3HG1 VAL 64 3HG1 VAL 64 2.072 -2.471 -2.714 491 1HG2 VAL 64 1HG2 VAL 64 -1.044 -1.470 -3.900 492 2HG2 VAL 64 2HG2 VAL 64 -0.533 0.206 -4.096 493 3HG2 VAL 64 3HG2 VAL 64 -1.448 -0.277 -2.668 494 H ASP 65 H ASP 65 0.912 -3.765 -1.434 495 HA ASP 65 HA ASP 65 -1.724 -4.791 -1.916 496 1HB ASP 65 2HB ASP 65 0.858 -5.750 -2.306 497 2HB ASP 65 1HB ASP 65 0.227 -6.771 -1.016 498 H GLU 66 H GLU 66 -3.126 -4.487 -0.279 499 HA GLU 66 HA GLU 66 -2.534 -4.620 2.479 500 1HB GLU 66 2HB GLU 66 -5.012 -4.854 2.779 501 2HB GLU 66 1HB GLU 66 -4.535 -3.490 1.771 502 1HG GLU 66 2HG GLU 66 -5.183 -4.594 -0.227 503 2HG GLU 66 1HG GLU 66 -5.244 -6.168 0.564 504 H ASP 67 H ASP 67 -3.513 -7.092 0.174 505 HA ASP 67 HA ASP 67 -3.749 -9.097 2.292 506 1HB ASP 67 2HB ASP 67 -4.354 -10.629 0.362 507 2HB ASP 67 1HB ASP 67 -5.467 -9.296 0.656 508 H GLY 68 H GLY 68 -1.637 -8.224 -0.395 509 1HA GLY 68 2HA GLY 68 0.559 -8.808 -0.814 510 2HA GLY 68 1HA GLY 68 0.582 -9.637 0.740 511 H SER 69 H SER 69 -1.401 -10.101 -2.178 512 HA SER 69 HA SER 69 -1.016 -12.977 -2.035 513 1HB SER 69 2HB SER 69 -2.574 -13.012 -3.984 514 2HB SER 69 1HB SER 69 -3.232 -12.177 -2.580 515 HG SER 69 HG SER 69 -3.092 -11.213 -4.951 516 H GLY 70 H GLY 70 0.837 -10.539 -3.352 517 1HA GLY 70 2HA GLY 70 2.704 -10.706 -4.725 518 2HA GLY 70 1HA GLY 70 2.261 -12.375 -5.078 519 H THR 71 H THR 71 -0.190 -9.951 -5.404 520 HA THR 71 HA THR 71 0.251 -9.609 -8.276 521 HB THR 71 HB THR 71 -1.964 -10.365 -8.889 522 HG1 THR 71 HG1 THR 71 -3.364 -11.180 -7.330 523 1HG2 THR 71 1HG2 THR 71 -0.208 -12.094 -8.766 524 2HG2 THR 71 2HG2 THR 71 -1.786 -12.765 -8.355 525 3HG2 THR 71 3HG2 THR 71 -0.625 -12.397 -7.079 526 H VAL 72 H VAL 72 -0.149 -7.555 -8.821 527 HA VAL 72 HA VAL 72 -1.460 -5.809 -6.876 528 HB VAL 72 HB VAL 72 -0.392 -4.912 -9.544 529 1HG1 VAL 72 1HG1 VAL 72 -1.757 -3.412 -8.007 530 2HG1 VAL 72 2HG1 VAL 72 -0.161 -2.799 -8.439 531 3HG1 VAL 72 3HG1 VAL 72 -0.427 -3.526 -6.855 532 1HG2 VAL 72 1HG2 VAL 72 1.778 -4.489 -8.396 533 2HG2 VAL 72 2HG2 VAL 72 1.415 -6.211 -8.515 534 3HG2 VAL 72 3HG2 VAL 72 1.178 -5.363 -6.987 535 H ASP 73 H ASP 73 -3.572 -5.515 -6.951 536 HA ASP 73 HA ASP 73 -5.121 -6.102 -9.343 537 1HB ASP 73 2HB ASP 73 -5.900 -5.059 -6.602 538 2HB ASP 73 1HB ASP 73 -7.055 -5.351 -7.903 539 H PHE 74 H PHE 74 -6.723 -4.391 -10.143 540 HA PHE 74 HA PHE 74 -5.320 -2.103 -10.967 541 1HB PHE 74 2HB PHE 74 -7.425 -3.079 -12.035 542 2HB PHE 74 1HB PHE 74 -8.331 -2.191 -10.808 543 HD1 PHE 74 HD1 PHE 74 -5.210 -1.335 -12.686 544 HD2 PHE 74 HD2 PHE 74 -9.306 -0.340 -11.874 545 HE1 PHE 74 HE1 PHE 74 -4.973 0.734 -14.023 546 HE2 PHE 74 HE2 PHE 74 -9.067 1.732 -13.212 547 HZ PHE 74 HZ PHE 74 -6.901 2.268 -14.288 548 H ASP 75 H ASP 75 -7.371 -2.655 -8.161 549 HA ASP 75 HA ASP 75 -7.630 0.074 -7.363 550 1HB ASP 75 2HB ASP 75 -7.754 -2.471 -5.717 551 2HB ASP 75 1HB ASP 75 -8.215 -0.872 -5.135 552 H GLU 76 H GLU 76 -5.340 -2.525 -6.585 553 HA GLU 76 HA GLU 76 -3.778 -0.954 -4.748 554 1HB GLU 76 2HB GLU 76 -3.000 -3.492 -6.211 555 2HB GLU 76 1HB GLU 76 -2.214 -2.821 -4.783 556 1HG GLU 76 2HG GLU 76 -4.247 -3.145 -3.463 557 2HG GLU 76 1HG GLU 76 -5.116 -3.708 -4.889 558 H PHE 77 H PHE 77 -3.762 -1.568 -8.190 559 HA PHE 77 HA PHE 77 -1.142 -0.730 -8.829 560 1HB PHE 77 2HB PHE 77 -3.111 -1.858 -10.257 561 2HB PHE 77 1HB PHE 77 -3.386 -0.187 -10.721 562 HD1 PHE 77 HD1 PHE 77 -2.860 -0.970 -13.034 563 HD2 PHE 77 HD2 PHE 77 0.080 -1.027 -9.890 564 HE1 PHE 77 HE1 PHE 77 -1.053 -1.144 -14.712 565 HE2 PHE 77 HE2 PHE 77 1.875 -1.191 -11.578 566 HZ PHE 77 HZ PHE 77 1.313 -1.255 -13.992 567 H LEU 78 H LEU 78 -4.249 1.027 -8.936 568 HA LEU 78 HA LEU 78 -3.071 3.557 -9.576 569 1HB LEU 78 2HB LEU 78 -5.776 2.615 -8.738 570 2HB LEU 78 1HB LEU 78 -5.411 4.326 -8.604 571 HG LEU 78 HG LEU 78 -5.104 4.530 -10.969 572 1HD1 LEU 78 1HD1 LEU 78 -3.862 2.359 -11.223 573 2HD1 LEU 78 2HD1 LEU 78 -5.052 2.654 -12.489 574 3HD1 LEU 78 3HD1 LEU 78 -5.416 1.526 -11.183 575 1HD2 LEU 78 1HD2 LEU 78 -7.445 4.455 -10.261 576 2HD2 LEU 78 2HD2 LEU 78 -7.443 2.694 -10.370 577 3HD2 LEU 78 3HD2 LEU 78 -7.278 3.668 -11.831 578 H VAL 79 H VAL 79 -3.885 1.900 -6.578 579 HA VAL 79 HA VAL 79 -3.741 4.091 -4.802 580 HB VAL 79 HB VAL 79 -3.571 1.129 -4.569 581 1HG1 VAL 79 1HG1 VAL 79 -1.629 1.790 -3.233 582 2HG1 VAL 79 2HG1 VAL 79 -2.943 1.275 -2.173 583 3HG1 VAL 79 3HG1 VAL 79 -2.599 2.993 -2.382 584 1HG2 VAL 79 1HG2 VAL 79 -5.395 1.455 -3.079 585 2HG2 VAL 79 2HG2 VAL 79 -5.640 2.637 -4.364 586 3HG2 VAL 79 3HG2 VAL 79 -4.976 3.148 -2.812 587 H MET 80 H MET 80 -1.256 1.812 -5.934 588 HA MET 80 HA MET 80 0.942 2.608 -4.464 589 1HB MET 80 2HB MET 80 0.518 0.986 -6.687 590 2HB MET 80 1HB MET 80 1.651 2.209 -7.261 591 1HG MET 80 2HG MET 80 3.015 1.764 -5.162 592 2HG MET 80 1HG MET 80 1.971 0.372 -4.879 593 1HE MET 80 1HE MET 80 1.366 -1.197 -6.386 594 2HE MET 80 2HE MET 80 2.802 -2.197 -6.175 595 3HE MET 80 3HE MET 80 2.236 -1.810 -7.798 596 H MET 81 H MET 81 -0.639 4.334 -7.078 597 HA MET 81 HA MET 81 1.448 6.116 -7.780 598 1HB MET 81 2HB MET 81 -0.846 5.676 -8.937 599 2HB MET 81 1HB MET 81 -1.453 6.907 -7.831 600 1HG MET 81 2HG MET 81 0.750 8.180 -8.727 601 2HG MET 81 1HG MET 81 0.403 7.181 -10.139 602 1HE MET 81 1HE MET 81 -2.462 6.645 -9.941 603 2HE MET 81 2HE MET 81 -2.018 7.308 -11.512 604 3HE MET 81 3HE MET 81 -3.412 7.957 -10.652 605 H VAL 82 H VAL 82 -1.341 6.555 -5.588 606 HA VAL 82 HA VAL 82 -0.446 9.092 -4.604 607 HB VAL 82 HB VAL 82 -2.207 8.819 -2.892 608 1HG1 VAL 82 1HG1 VAL 82 -2.860 9.699 -5.053 609 2HG1 VAL 82 2HG1 VAL 82 -4.118 8.592 -4.504 610 3HG1 VAL 82 3HG1 VAL 82 -2.961 8.074 -5.730 611 1HG2 VAL 82 1HG2 VAL 82 -2.785 6.145 -4.187 612 2HG2 VAL 82 2HG2 VAL 82 -3.522 6.827 -2.735 613 3HG2 VAL 82 3HG2 VAL 82 -1.839 6.299 -2.705 614 H ARG 83 H ARG 83 0.052 5.760 -3.622 615 HA ARG 83 HA ARG 83 0.911 6.107 -0.981 616 1HB ARG 83 2HB ARG 83 1.937 4.121 -3.030 617 2HB ARG 83 1HB ARG 83 2.190 4.013 -1.288 618 1HG ARG 83 2HG ARG 83 -0.598 4.410 -1.706 619 2HG ARG 83 1HG ARG 83 -0.080 3.145 -2.818 620 1HD ARG 83 2HD ARG 83 0.243 1.665 -1.147 621 2HD ARG 83 1HD ARG 83 1.108 2.844 -0.168 622 HE ARG 83 HE ARG 83 -1.642 3.477 -0.114 623 1HH1 ARG 83 2HH1 ARG 83 0.575 1.010 0.975 624 2HH1 ARG 83 1HH1 ARG 83 -0.377 0.587 2.355 625 1HH2 ARG 83 1HH2 ARG 83 -2.872 2.913 1.704 626 2HH2 ARG 83 2HH2 ARG 83 -2.324 1.661 2.769 627 H CYS 84 H CYS 84 2.672 6.440 -4.039 628 HA CYS 84 HA CYS 84 5.267 6.804 -2.976 629 1HB CYS 84 2HB CYS 84 4.430 6.552 -5.472 630 2HB CYS 84 1HB CYS 84 4.407 8.314 -5.415 631 HG CYS 84 HG CYS 84 6.980 8.197 -4.700 632 H MET 85 H MET 85 2.592 9.041 -3.550 633 HA MET 85 HA MET 85 4.019 11.435 -2.934 634 1HB MET 85 2HB MET 85 1.759 11.181 -4.169 635 2HB MET 85 1HB MET 85 1.049 11.089 -2.557 636 1HG MET 85 2HG MET 85 1.598 13.282 -2.037 637 2HG MET 85 1HG MET 85 2.969 13.313 -3.146 638 1HE MET 85 1HE MET 85 -0.697 12.319 -3.195 639 2HE MET 85 2HE MET 85 -1.482 13.483 -4.259 640 3HE MET 85 3HE MET 85 -0.866 14.006 -2.693 641 H LYS 86 H LYS 86 1.745 9.407 -1.043 642 HA LYS 86 HA LYS 86 3.127 10.205 1.415 643 1HB LYS 86 2HB LYS 86 1.246 11.860 0.997 644 2HB LYS 86 1HB LYS 86 0.128 10.513 1.208 645 1HG LYS 86 2HG LYS 86 1.861 10.296 3.386 646 2HG LYS 86 1HG LYS 86 1.592 12.032 3.226 647 1HD LYS 86 2HD LYS 86 -0.827 10.346 2.937 648 2HD LYS 86 1HD LYS 86 -0.104 10.360 4.546 649 1HE LYS 86 2HE LYS 86 -0.002 13.003 3.997 650 2HE LYS 86 1HE LYS 86 -1.416 12.564 3.039 651 1HZ LYS 86 1HZ LYS 86 -2.412 11.575 4.985 652 2HZ LYS 86 2HZ LYS 86 -1.994 13.188 5.315 653 3HZ LYS 86 3HZ LYS 86 -1.035 11.920 5.914 654 H ASP 87 H ASP 87 3.683 8.251 2.148 655 HA ASP 87 HA ASP 87 1.703 6.440 3.126 656 1HB ASP 87 2HB ASP 87 1.750 5.895 0.635 657 2HB ASP 87 1HB ASP 87 3.394 5.311 0.888 658 H ASP 88 H ASP 88 3.870 7.838 4.254 659 HA ASP 88 HA ASP 88 5.641 7.569 5.681 660 1HB ASP 88 2HB ASP 88 4.551 4.752 5.644 661 2HB ASP 88 1HB ASP 88 5.925 5.220 6.646 662 H SER 89 HN SER 89 7.398 8.080 4.460 663 HA SER 89 HA SER 89 8.519 6.435 2.436 664 1HB SER 89 2HB SER 89 8.913 8.942 2.813 665 2HB SER 89 1HB SER 89 10.082 8.459 4.039 666 HG SER 89 HG SER 89 11.293 8.485 2.263 Start of MODEL 7 1 1H MET 1 1H MET 1 -10.465 6.591 9.318 2 2H MET 1 2H MET 1 -8.933 6.804 10.024 3 3H MET 1 3H MET 1 -9.903 5.485 10.475 4 HA MET 1 HA MET 1 -8.151 4.754 8.997 5 1HB MET 1 2HB MET 1 -10.655 3.932 8.907 6 2HB MET 1 1HB MET 1 -10.651 4.725 7.331 7 1HG MET 1 2HG MET 1 -9.036 3.279 6.458 8 2HG MET 1 1HG MET 1 -8.413 2.852 8.051 9 1HE MET 1 1HE MET 1 -8.253 0.905 6.694 10 2HE MET 1 2HE MET 1 -9.568 0.032 5.912 11 3HE MET 1 3HE MET 1 -9.086 -0.398 7.551 12 H ASN 2 H ASN 2 -7.365 4.735 6.744 13 HA ASN 2 HA ASN 2 -6.864 7.392 5.794 14 1HB ASN 2 2HB ASN 2 -6.176 4.649 4.737 15 2HB ASN 2 1HB ASN 2 -5.773 6.120 3.851 16 1HD2 ASN 2 1HD2 ASN 2 -4.581 7.844 5.319 17 2HD2 ASN 2 2HD2 ASN 2 -3.409 7.223 6.377 18 H ASP 3 H ASP 3 -8.673 8.418 5.085 19 HA ASP 3 HA ASP 3 -10.393 7.103 3.101 20 1HB ASP 3 2HB ASP 3 -10.723 9.803 4.431 21 2HB ASP 3 1HB ASP 3 -11.913 8.983 3.420 22 H ILE 4 H ILE 4 -8.211 9.834 3.478 23 HA ILE 4 HA ILE 4 -8.649 11.180 1.080 24 HB ILE 4 HB ILE 4 -6.467 12.160 1.302 25 1HG1 ILE 4 2HG1 ILE 4 -5.270 9.961 1.737 26 2HG1 ILE 4 1HG1 ILE 4 -4.724 11.315 2.716 27 1HG2 ILE 4 1HG2 ILE 4 -6.582 12.998 3.575 28 2HG2 ILE 4 2HG2 ILE 4 -7.551 11.614 4.077 29 3HG2 ILE 4 3HG2 ILE 4 -8.220 12.796 2.954 30 1HD1 ILE 4 1HD1 ILE 4 -6.454 10.448 4.465 31 2HD1 ILE 4 2HD1 ILE 4 -4.927 9.586 4.288 32 3HD1 ILE 4 3HD1 ILE 4 -6.391 8.947 3.540 33 H TYR 5 H TYR 5 -6.873 8.207 1.657 34 HA TYR 5 HA TYR 5 -5.405 8.057 -0.746 35 1HB TYR 5 2HB TYR 5 -6.504 5.977 1.133 36 2HB TYR 5 1HB TYR 5 -5.715 5.498 -0.369 37 HD1 TYR 5 HD1 TYR 5 -3.395 5.220 -0.382 38 HD2 TYR 5 HD2 TYR 5 -5.190 7.768 2.571 39 HE1 TYR 5 HE1 TYR 5 -1.181 5.547 0.686 40 HE2 TYR 5 HE2 TYR 5 -2.984 8.099 3.635 41 HH TYR 5 HH TYR 5 -0.642 6.414 3.567 42 H LYS 6 H LYS 6 -8.658 6.862 0.070 43 HA LYS 6 HA LYS 6 -9.196 5.936 -2.611 44 1HB LYS 6 2HB LYS 6 -11.025 6.332 -0.232 45 2HB LYS 6 1HB LYS 6 -11.505 5.580 -1.753 46 1HG LYS 6 2HG LYS 6 -9.508 3.986 -1.385 47 2HG LYS 6 1HG LYS 6 -9.499 4.585 0.273 48 1HD LYS 6 2HD LYS 6 -12.004 3.502 -1.029 49 2HD LYS 6 1HD LYS 6 -10.876 2.464 -0.158 50 1HE LYS 6 2HE LYS 6 -12.104 4.951 1.060 51 2HE LYS 6 1HE LYS 6 -12.814 3.346 1.229 52 1HZ LYS 6 1HZ LYS 6 -10.209 4.318 2.235 53 2HZ LYS 6 2HZ LYS 6 -10.528 2.658 2.065 54 3HZ LYS 6 3HZ LYS 6 -11.480 3.606 3.104 55 H ALA 7 H ALA 7 -9.673 8.900 -0.817 56 HA ALA 7 HA ALA 7 -11.681 10.039 -2.498 57 1HB ALA 7 1HB ALA 7 -10.919 10.753 -0.106 58 2HB ALA 7 2HB ALA 7 -11.421 11.993 -1.254 59 3HB ALA 7 3HB ALA 7 -9.705 11.701 -0.966 60 H ALA 8 H ALA 8 -8.188 9.824 -2.673 61 HA ALA 8 HA ALA 8 -7.915 11.887 -4.686 62 1HB ALA 8 1HB ALA 8 -6.068 11.427 -3.133 63 2HB ALA 8 2HB ALA 8 -5.571 11.153 -4.803 64 3HB ALA 8 3HB ALA 8 -5.947 9.782 -3.758 65 H VAL 9 H VAL 9 -7.811 8.322 -4.620 66 HA VAL 9 HA VAL 9 -7.270 7.983 -7.382 67 HB VAL 9 HB VAL 9 -6.984 6.208 -5.633 68 1HG1 VAL 9 1HG1 VAL 9 -8.978 4.859 -5.046 69 2HG1 VAL 9 2HG1 VAL 9 -10.002 6.021 -5.886 70 3HG1 VAL 9 3HG1 VAL 9 -9.109 6.511 -4.447 71 1HG2 VAL 9 1HG2 VAL 9 -7.253 5.878 -8.212 72 2HG2 VAL 9 2HG2 VAL 9 -8.823 5.191 -7.792 73 3HG2 VAL 9 3HG2 VAL 9 -7.345 4.464 -7.163 74 H GLU 10 H GLU 10 -10.233 8.653 -5.645 75 HA GLU 10 HA GLU 10 -11.947 7.890 -7.853 76 1HB GLU 10 2HB GLU 10 -13.777 8.638 -6.485 77 2HB GLU 10 1HB GLU 10 -12.663 7.738 -5.457 78 1HG GLU 10 2HG GLU 10 -11.805 9.710 -4.463 79 2HG GLU 10 1HG GLU 10 -12.492 10.744 -5.715 80 H GLN 11 H GLN 11 -10.170 10.730 -6.937 81 HA GLN 11 HA GLN 11 -11.765 12.335 -8.845 82 1HB GLN 11 2HB GLN 11 -11.120 14.318 -7.655 83 2HB GLN 11 1HB GLN 11 -11.736 13.157 -6.480 84 1HG GLN 11 2HG GLN 11 -9.409 12.487 -5.942 85 2HG GLN 11 1HG GLN 11 -8.808 13.680 -7.091 86 1HE2 GLN 11 1HE2 GLN 11 -11.064 13.561 -4.259 87 2HE2 GLN 11 2HE2 GLN 11 -10.572 15.060 -3.634 88 H LEU 12 H LEU 12 -9.101 10.561 -9.055 89 HA LEU 12 HA LEU 12 -7.159 12.476 -9.985 90 1HB LEU 12 2HB LEU 12 -6.145 10.339 -11.069 91 2HB LEU 12 1HB LEU 12 -6.083 10.558 -9.338 92 HG LEU 12 HG LEU 12 -7.888 8.977 -9.024 93 1HD1 LEU 12 1HD1 LEU 12 -8.024 9.047 -12.043 94 2HD1 LEU 12 2HD1 LEU 12 -9.319 9.369 -10.890 95 3HD1 LEU 12 3HD1 LEU 12 -8.716 7.726 -11.101 96 1HD2 LEU 12 1HD2 LEU 12 -6.803 6.964 -10.261 97 2HD2 LEU 12 2HD2 LEU 12 -5.814 7.861 -9.110 98 3HD2 LEU 12 3HD2 LEU 12 -5.629 8.147 -10.839 99 H THR 13 H THR 13 -6.214 12.095 -12.302 100 HA THR 13 HA THR 13 -8.362 12.723 -14.157 101 HB THR 13 HB THR 13 -6.129 12.653 -15.713 102 HG1 THR 13 HG1 THR 13 -4.643 12.200 -14.225 103 1HG2 THR 13 1HG2 THR 13 -7.234 14.645 -15.822 104 2HG2 THR 13 2HG2 THR 13 -5.928 15.155 -14.754 105 3HG2 THR 13 3HG2 THR 13 -7.498 14.720 -14.080 106 H ASP 14 H ASP 14 -8.351 11.755 -16.348 107 HA ASP 14 HA ASP 14 -8.652 8.921 -16.216 108 1HB ASP 14 2HB ASP 14 -9.587 10.847 -17.909 109 2HB ASP 14 1HB ASP 14 -8.314 10.122 -18.893 110 H GLU 15 H GLU 15 -6.095 11.096 -17.253 111 HA GLU 15 HA GLU 15 -4.485 9.220 -18.657 112 1HB GLU 15 2HB GLU 15 -3.930 11.852 -17.311 113 2HB GLU 15 1HB GLU 15 -2.604 10.876 -17.944 114 1HG GLU 15 2HG GLU 15 -3.240 11.179 -20.135 115 2HG GLU 15 1HG GLU 15 -4.953 11.293 -19.733 116 H GLN 16 H GLN 16 -4.762 10.092 -15.245 117 HA GLN 16 HA GLN 16 -2.472 8.679 -14.316 118 1HB GLN 16 2HB GLN 16 -4.518 10.263 -13.158 119 2HB GLN 16 1HB GLN 16 -4.568 8.700 -12.341 120 1HG GLN 16 2HG GLN 16 -1.938 8.998 -12.296 121 2HG GLN 16 1HG GLN 16 -2.346 10.707 -12.457 122 1HE2 GLN 16 1HE2 GLN 16 -3.902 11.592 -10.767 123 2HE2 GLN 16 2HE2 GLN 16 -3.882 10.899 -9.217 124 H LYS 17 H LYS 17 -5.909 7.832 -14.624 125 HA LYS 17 HA LYS 17 -5.699 5.207 -13.540 126 1HB LYS 17 2HB LYS 17 -7.719 6.313 -15.512 127 2HB LYS 17 1HB LYS 17 -7.883 4.805 -14.614 128 1HG LYS 17 2HG LYS 17 -8.190 5.895 -12.572 129 2HG LYS 17 1HG LYS 17 -7.382 7.364 -13.122 130 1HD LYS 17 2HD LYS 17 -9.565 8.091 -13.264 131 2HD LYS 17 1HD LYS 17 -9.414 7.370 -14.865 132 1HE LYS 17 2HE LYS 17 -10.154 5.171 -13.552 133 2HE LYS 17 1HE LYS 17 -10.868 6.355 -12.457 134 1HZ LYS 17 1HZ LYS 17 -12.048 7.330 -14.309 135 2HZ LYS 17 2HZ LYS 17 -12.408 5.673 -14.204 136 3HZ LYS 17 3HZ LYS 17 -11.330 6.236 -15.389 137 H ASN 18 H ASN 18 -5.532 6.514 -16.839 138 HA ASN 18 HA ASN 18 -5.330 4.005 -18.168 139 1HB ASN 18 2HB ASN 18 -4.681 6.837 -18.946 140 2HB ASN 18 1HB ASN 18 -4.241 5.495 -20.002 141 1HD2 ASN 18 1HD2 ASN 18 -6.414 7.677 -20.241 142 2HD2 ASN 18 2HD2 ASN 18 -7.832 6.800 -20.557 143 H GLU 19 H GLU 19 -2.955 6.133 -16.667 144 HA GLU 19 HA GLU 19 -0.595 5.164 -17.805 145 1HB GLU 19 2HB GLU 19 -0.716 7.105 -16.240 146 2HB GLU 19 1HB GLU 19 -0.977 5.976 -14.910 147 1HG GLU 19 2HG GLU 19 1.179 5.005 -15.167 148 2HG GLU 19 1HG GLU 19 1.411 5.745 -16.750 149 H PHE 20 H PHE 20 -2.389 3.975 -14.966 150 HA PHE 20 HA PHE 20 -0.602 1.704 -14.651 151 1HB PHE 20 2HB PHE 20 -3.055 2.676 -13.208 152 2HB PHE 20 1HB PHE 20 -2.388 1.076 -12.900 153 HD1 PHE 20 HD1 PHE 20 -2.004 4.645 -12.357 154 HD2 PHE 20 HD2 PHE 20 -0.005 0.854 -12.108 155 HE1 PHE 20 HE1 PHE 20 -0.314 5.636 -10.844 156 HE2 PHE 20 HE2 PHE 20 1.682 1.841 -10.585 157 HZ PHE 20 HZ PHE 20 1.530 4.237 -9.955 158 H LYS 21 H LYS 21 -4.022 2.242 -15.521 159 HA LYS 21 HA LYS 21 -4.820 -0.393 -15.887 160 1HB LYS 21 2HB LYS 21 -6.343 1.558 -15.940 161 2HB LYS 21 1HB LYS 21 -5.715 1.983 -17.532 162 1HG LYS 21 2HG LYS 21 -6.562 -0.827 -17.315 163 2HG LYS 21 1HG LYS 21 -7.875 0.327 -17.071 164 1HD LYS 21 2HD LYS 21 -7.037 1.500 -19.191 165 2HD LYS 21 1HD LYS 21 -6.060 0.058 -19.473 166 1HE LYS 21 2HE LYS 21 -8.497 -1.056 -18.922 167 2HE LYS 21 1HE LYS 21 -8.979 0.436 -19.729 168 1HZ LYS 21 1HZ LYS 21 -8.673 -1.269 -21.358 169 2HZ LYS 21 2HZ LYS 21 -7.119 -1.631 -20.773 170 3HZ LYS 21 3HZ LYS 21 -7.419 -0.141 -21.532 171 H ALA 22 H ALA 22 -2.979 1.679 -18.088 172 HA ALA 22 HA ALA 22 -3.197 0.116 -20.429 173 1HB ALA 22 1HB ALA 22 -2.241 2.338 -20.552 174 2HB ALA 22 2HB ALA 22 -1.021 1.178 -21.076 175 3HB ALA 22 3HB ALA 22 -0.935 1.879 -19.460 176 H ALA 23 H ALA 23 -0.614 0.174 -17.966 177 HA ALA 23 HA ALA 23 0.767 -2.110 -18.953 178 1HB ALA 23 1HB ALA 23 1.948 -2.074 -16.793 179 2HB ALA 23 2HB ALA 23 0.769 -0.922 -16.160 180 3HB ALA 23 3HB ALA 23 1.848 -0.451 -17.475 181 H PHE 24 H PHE 24 -1.786 -1.604 -16.590 182 HA PHE 24 HA PHE 24 -1.841 -4.149 -15.398 183 1HB PHE 24 2HB PHE 24 -3.109 -1.998 -14.734 184 2HB PHE 24 1HB PHE 24 -4.312 -2.498 -15.920 185 HD1 PHE 24 HD1 PHE 24 -5.286 -4.882 -15.703 186 HD2 PHE 24 HD2 PHE 24 -3.114 -2.912 -12.568 187 HE1 PHE 24 HE1 PHE 24 -6.266 -6.440 -14.044 188 HE2 PHE 24 HE2 PHE 24 -4.094 -4.469 -10.913 189 HZ PHE 24 HZ PHE 24 -5.669 -6.228 -11.653 190 H ASP 25 H ASP 25 -3.513 -2.890 -18.276 191 HA ASP 25 HA ASP 25 -5.065 -5.206 -18.798 192 1HB ASP 25 2HB ASP 25 -5.366 -2.843 -19.750 193 2HB ASP 25 1HB ASP 25 -4.128 -3.289 -20.924 194 H ILE 26 H ILE 26 -1.917 -4.146 -20.113 195 HA ILE 26 HA ILE 26 -1.636 -6.295 -21.940 196 HB ILE 26 HB ILE 26 0.784 -5.707 -21.976 197 1HG1 ILE 26 2HG1 ILE 26 -0.005 -3.634 -19.904 198 2HG1 ILE 26 1HG1 ILE 26 0.922 -5.088 -19.544 199 1HG2 ILE 26 1HG2 ILE 26 0.440 -3.435 -22.861 200 2HG2 ILE 26 2HG2 ILE 26 -1.128 -3.353 -22.060 201 3HG2 ILE 26 3HG2 ILE 26 -0.867 -4.504 -23.369 202 1HD1 ILE 26 1HD1 ILE 26 2.729 -3.783 -19.966 203 2HD1 ILE 26 2HD1 ILE 26 1.778 -2.589 -20.848 204 3HD1 ILE 26 3HD1 ILE 26 2.326 -4.056 -21.661 205 H PHE 27 H PHE 27 -0.678 -5.964 -18.538 206 HA PHE 27 HA PHE 27 0.707 -8.510 -18.526 207 1HB PHE 27 2HB PHE 27 -0.104 -6.675 -16.257 208 2HB PHE 27 1HB PHE 27 0.853 -8.143 -16.061 209 HD1 PHE 27 HD1 PHE 27 2.707 -8.190 -18.251 210 HD2 PHE 27 HD2 PHE 27 1.269 -4.799 -16.042 211 HE1 PHE 27 HE1 PHE 27 4.739 -6.923 -18.877 212 HE2 PHE 27 HE2 PHE 27 3.304 -3.533 -16.672 213 HZ PHE 27 HZ PHE 27 5.038 -4.593 -18.089 214 H ILE 28 H ILE 28 -2.512 -7.326 -17.709 215 HA ILE 28 HA ILE 28 -3.270 -10.016 -16.771 216 HB ILE 28 HB ILE 28 -3.765 -7.715 -15.542 217 1HG1 ILE 28 2HG1 ILE 28 -4.381 -10.049 -14.847 218 2HG1 ILE 28 1HG1 ILE 28 -5.526 -8.810 -14.340 219 1HG2 ILE 28 1HG2 ILE 28 -5.086 -6.966 -17.666 220 2HG2 ILE 28 2HG2 ILE 28 -5.747 -6.622 -16.069 221 3HG2 ILE 28 3HG2 ILE 28 -6.372 -7.975 -17.005 222 1HD1 ILE 28 1HD1 ILE 28 -6.776 -10.698 -15.211 223 2HD1 ILE 28 2HD1 ILE 28 -5.818 -10.702 -16.689 224 3HD1 ILE 28 3HD1 ILE 28 -6.920 -9.366 -16.357 225 H GLN 29 H GLN 29 -2.698 -9.630 -19.489 226 HA GLN 29 HA GLN 29 -5.123 -9.267 -21.002 227 1HB GLN 29 2HB GLN 29 -2.735 -8.838 -21.824 228 2HB GLN 29 1HB GLN 29 -2.590 -10.588 -21.978 229 1HG GLN 29 2HG GLN 29 -3.339 -10.010 -24.102 230 2HG GLN 29 1HG GLN 29 -4.859 -10.373 -23.285 231 1HE2 GLN 29 1HE2 GLN 29 -2.677 -7.572 -23.952 232 2HE2 GLN 29 2HE2 GLN 29 -3.934 -6.436 -24.056 233 H ASP 30 H ASP 30 -2.966 -12.062 -20.480 234 HA ASP 30 HA ASP 30 -5.058 -13.903 -21.328 235 1HB ASP 30 2HB ASP 30 -2.159 -14.221 -20.574 236 2HB ASP 30 1HB ASP 30 -3.215 -15.620 -20.766 237 H ALA 31 H ALA 31 -4.447 -12.370 -18.434 238 HA ALA 31 HA ALA 31 -4.902 -14.670 -16.704 239 1HB ALA 31 1HB ALA 31 -5.138 -12.624 -15.004 240 2HB ALA 31 2HB ALA 31 -4.266 -11.786 -16.289 241 3HB ALA 31 3HB ALA 31 -3.563 -13.216 -15.533 242 H GLU 32 H GLU 32 -6.711 -14.872 -15.331 243 HA GLU 32 HA GLU 32 -9.127 -13.394 -16.197 244 1HB GLU 32 2HB GLU 32 -8.880 -16.360 -15.639 245 2HB GLU 32 1HB GLU 32 -10.413 -15.512 -15.849 246 1HG GLU 32 2HG GLU 32 -9.717 -14.797 -18.106 247 2HG GLU 32 1HG GLU 32 -8.181 -15.639 -17.901 248 H ASP 33 H ASP 33 -7.465 -12.750 -13.986 249 HA ASP 33 HA ASP 33 -9.243 -13.423 -11.711 250 1HB ASP 33 2HB ASP 33 -6.258 -13.059 -11.836 251 2HB ASP 33 1HB ASP 33 -7.137 -12.802 -10.329 252 H GLY 34 H GLY 34 -7.211 -10.932 -13.220 253 1HA GLY 34 2HA GLY 34 -7.917 -8.665 -13.466 254 2HA GLY 34 1HA GLY 34 -8.942 -8.858 -12.046 255 H CYS 35 H CYS 35 -5.549 -9.820 -12.402 256 HA CYS 35 HA CYS 35 -4.606 -7.592 -10.767 257 1HB CYS 35 2HB CYS 35 -3.846 -10.304 -9.761 258 2HB CYS 35 1HB CYS 35 -3.930 -8.772 -8.896 259 HG CYS 35 HG CYS 35 -5.991 -10.136 -8.116 260 H ILE 36 H ILE 36 -2.405 -7.220 -11.001 261 HA ILE 36 HA ILE 36 -1.128 -8.684 -13.195 262 HB ILE 36 HB ILE 36 0.485 -6.920 -13.288 263 1HG1 ILE 36 2HG1 ILE 36 -0.143 -5.050 -11.333 264 2HG1 ILE 36 1HG1 ILE 36 -0.262 -6.582 -10.467 265 1HG2 ILE 36 1HG2 ILE 36 -0.905 -4.990 -13.670 266 2HG2 ILE 36 2HG2 ILE 36 -2.141 -5.598 -12.570 267 3HG2 ILE 36 3HG2 ILE 36 -1.848 -6.416 -14.103 268 1HD1 ILE 36 1HD1 ILE 36 2.067 -6.575 -12.198 269 2HD1 ILE 36 2HD1 ILE 36 1.983 -6.820 -10.452 270 3HD1 ILE 36 3HD1 ILE 36 2.099 -5.188 -11.110 271 H SER 37 H SER 37 1.360 -8.987 -12.865 272 HA SER 37 HA SER 37 1.648 -10.645 -10.469 273 1HB SER 37 2HB SER 37 2.414 -11.084 -13.048 274 2HB SER 37 1HB SER 37 3.910 -10.464 -12.358 275 HG SER 37 HG SER 37 3.416 -12.824 -12.181 276 H THR 38 H THR 38 2.396 -9.708 -8.689 277 HA THR 38 HA THR 38 3.666 -7.228 -8.471 278 HB THR 38 HB THR 38 4.390 -7.974 -6.214 279 HG1 THR 38 HG1 THR 38 4.785 -10.028 -6.098 280 1HG2 THR 38 1HG2 THR 38 2.184 -7.154 -6.262 281 2HG2 THR 38 2HG2 THR 38 2.027 -8.723 -5.471 282 3HG2 THR 38 3HG2 THR 38 1.594 -8.545 -7.171 283 H LYS 39 H LYS 39 5.020 -10.458 -8.893 284 HA LYS 39 HA LYS 39 7.747 -9.824 -8.508 285 1HB LYS 39 2HB LYS 39 8.166 -11.873 -9.937 286 2HB LYS 39 1HB LYS 39 7.130 -12.136 -8.536 287 1HG LYS 39 2HG LYS 39 5.635 -13.038 -9.970 288 2HG LYS 39 1HG LYS 39 5.339 -11.397 -10.538 289 1HD LYS 39 2HD LYS 39 5.989 -12.199 -12.555 290 2HD LYS 39 1HD LYS 39 7.622 -12.042 -11.911 291 1HE LYS 39 2HE LYS 39 6.215 -14.532 -11.153 292 2HE LYS 39 1HE LYS 39 6.586 -14.378 -12.869 293 1HZ LYS 39 1HZ LYS 39 8.389 -15.428 -11.626 294 2HZ LYS 39 2HZ LYS 39 8.542 -14.040 -10.660 295 3HZ LYS 39 3HZ LYS 39 8.885 -13.964 -12.322 296 H GLU 40 H GLU 40 5.591 -9.403 -11.245 297 HA GLU 40 HA GLU 40 7.824 -8.522 -12.954 298 1HB GLU 40 2HB GLU 40 4.978 -9.331 -13.518 299 2HB GLU 40 1HB GLU 40 5.918 -8.422 -14.700 300 1HG GLU 40 2HG GLU 40 7.279 -10.770 -13.495 301 2HG GLU 40 1HG GLU 40 5.929 -11.129 -14.571 302 H LEU 41 H LEU 41 6.529 -6.990 -10.624 303 HA LEU 41 HA LEU 41 4.985 -4.847 -11.561 304 1HB LEU 41 2HB LEU 41 5.725 -5.530 -9.138 305 2HB LEU 41 1HB LEU 41 7.055 -4.439 -9.437 306 HG LEU 41 HG LEU 41 5.103 -3.463 -8.175 307 1HD1 LEU 41 1HD1 LEU 41 5.457 -1.368 -9.095 308 2HD1 LEU 41 2HD1 LEU 41 5.359 -1.961 -10.752 309 3HD1 LEU 41 3HD1 LEU 41 6.814 -2.247 -9.799 310 1HD2 LEU 41 1HD2 LEU 41 3.373 -4.656 -9.592 311 2HD2 LEU 41 2HD2 LEU 41 3.742 -3.514 -10.884 312 3HD2 LEU 41 3HD2 LEU 41 3.071 -2.935 -9.360 313 H GLY 42 H GLY 42 8.478 -5.381 -11.638 314 1HA GLY 42 2HA GLY 42 9.365 -2.797 -12.266 315 2HA GLY 42 1HA GLY 42 10.172 -4.286 -12.750 316 H LYS 43 H LYS 43 7.960 -5.320 -14.308 317 HA LYS 43 HA LYS 43 8.531 -4.134 -16.829 318 1HB LYS 43 2HB LYS 43 6.287 -6.014 -16.043 319 2HB LYS 43 1HB LYS 43 6.745 -5.614 -17.697 320 1HG LYS 43 2HG LYS 43 8.834 -6.649 -15.803 321 2HG LYS 43 1HG LYS 43 7.718 -7.780 -16.566 322 1HD LYS 43 2HD LYS 43 8.406 -6.358 -18.740 323 2HD LYS 43 1HD LYS 43 9.875 -6.132 -17.792 324 1HE LYS 43 2HE LYS 43 8.711 -8.887 -18.031 325 2HE LYS 43 1HE LYS 43 9.633 -8.229 -19.382 326 1HZ LYS 43 1HZ LYS 43 11.066 -9.442 -17.881 327 2HZ LYS 43 2HZ LYS 43 10.579 -8.470 -16.575 328 3HZ LYS 43 3HZ LYS 43 11.468 -7.795 -17.856 329 H VAL 44 H VAL 44 6.039 -3.568 -14.437 330 HA VAL 44 HA VAL 44 4.398 -2.013 -16.273 331 HB VAL 44 HB VAL 44 2.730 -2.081 -14.721 332 1HG1 VAL 44 1HG1 VAL 44 2.583 -4.216 -13.966 333 2HG1 VAL 44 2HG1 VAL 44 4.098 -4.113 -13.072 334 3HG1 VAL 44 3HG1 VAL 44 4.118 -4.427 -14.804 335 1HG2 VAL 44 1HG2 VAL 44 4.898 -1.692 -12.658 336 2HG2 VAL 44 2HG2 VAL 44 3.260 -2.129 -12.187 337 3HG2 VAL 44 3HG2 VAL 44 3.553 -0.624 -13.054 338 H MET 45 H MET 45 6.654 -1.484 -13.602 339 HA MET 45 HA MET 45 6.257 1.301 -13.321 340 1HB MET 45 2HB MET 45 7.790 -0.561 -12.017 341 2HB MET 45 1HB MET 45 9.013 0.353 -12.898 342 1HG MET 45 2HG MET 45 8.858 1.697 -11.036 343 2HG MET 45 1HG MET 45 7.558 2.415 -11.988 344 1HE MET 45 1HE MET 45 5.510 2.700 -8.923 345 2HE MET 45 2HE MET 45 5.611 3.155 -10.622 346 3HE MET 45 3HE MET 45 7.017 3.354 -9.579 347 H ARG 46 H ARG 46 8.390 -0.623 -15.403 348 HA ARG 46 HA ARG 46 9.889 1.507 -16.507 349 1HB ARG 46 2HB ARG 46 9.123 -1.194 -17.635 350 2HB ARG 46 1HB ARG 46 10.200 -0.070 -18.468 351 1HG ARG 46 2HG ARG 46 11.753 -0.090 -16.602 352 2HG ARG 46 1HG ARG 46 10.647 -1.077 -15.648 353 1HD ARG 46 2HD ARG 46 10.841 -2.892 -17.320 354 2HD ARG 46 1HD ARG 46 11.971 -1.908 -18.243 355 HE ARG 46 HE ARG 46 12.804 -2.291 -15.509 356 1HH1 ARG 46 2HH1 ARG 46 12.733 -3.709 -18.700 357 2HH1 ARG 46 1HH1 ARG 46 14.140 -4.679 -18.437 358 1HH2 ARG 46 1HH2 ARG 46 14.649 -3.571 -15.187 359 2HH2 ARG 46 2HH2 ARG 46 15.223 -4.602 -16.454 360 H MET 47 H MET 47 6.759 0.119 -17.347 361 HA MET 47 HA MET 47 6.380 1.645 -19.751 362 1HB MET 47 2HB MET 47 4.449 0.168 -17.949 363 2HB MET 47 1HB MET 47 3.956 0.986 -19.431 364 1HG MET 47 2HG MET 47 6.203 -1.028 -19.440 365 2HG MET 47 1HG MET 47 4.521 -1.539 -19.581 366 1HE MET 47 1HE MET 47 7.244 -0.305 -22.805 367 2HE MET 47 2HE MET 47 7.386 -1.334 -21.382 368 3HE MET 47 3HE MET 47 7.497 0.415 -21.209 369 H LEU 48 H LEU 48 5.680 2.114 -16.337 370 HA LEU 48 HA LEU 48 3.965 4.382 -16.606 371 1HB LEU 48 2HB LEU 48 5.451 3.049 -14.409 372 2HB LEU 48 1HB LEU 48 5.021 4.725 -14.164 373 HG LEU 48 HG LEU 48 2.687 4.233 -14.275 374 1HD1 LEU 48 1HD1 LEU 48 3.030 1.313 -14.702 375 2HD1 LEU 48 2HD1 LEU 48 3.294 2.336 -16.113 376 3HD1 LEU 48 3HD1 LEU 48 1.752 2.388 -15.262 377 1HD2 LEU 48 1HD2 LEU 48 3.058 3.619 -12.123 378 2HD2 LEU 48 2HD2 LEU 48 4.465 2.646 -12.552 379 3HD2 LEU 48 3HD2 LEU 48 2.843 1.967 -12.705 380 H GLY 49 H GLY 49 7.444 3.915 -16.427 381 1HA GLY 49 2HA GLY 49 8.676 5.742 -17.673 382 2HA GLY 49 1HA GLY 49 7.846 6.847 -16.588 383 H GLN 50 H GLN 50 8.730 3.935 -15.011 384 HA GLN 50 HA GLN 50 11.265 5.118 -14.043 385 1HB GLN 50 2HB GLN 50 9.192 3.758 -12.300 386 2HB GLN 50 1HB GLN 50 10.722 4.452 -11.766 387 1HG GLN 50 2HG GLN 50 9.768 6.480 -11.576 388 2HG GLN 50 1HG GLN 50 9.284 6.431 -13.271 389 1HE2 GLN 50 1HE2 GLN 50 7.101 5.779 -13.774 390 2HE2 GLN 50 2HE2 GLN 50 5.926 5.562 -12.570 391 H ASN 51 H ASN 51 12.914 3.687 -13.639 392 HA ASN 51 HA ASN 51 12.332 0.825 -14.142 393 1HB ASN 51 2HB ASN 51 14.691 0.712 -15.084 394 2HB ASN 51 1HB ASN 51 13.511 1.571 -16.073 395 1HD2 ASN 51 1HD2 ASN 51 16.586 1.854 -14.580 396 2HD2 ASN 51 2HD2 ASN 51 16.775 3.530 -14.769 397 HA PRO 52 HA PRO 52 14.416 1.173 -10.042 398 1HB PRO 52 2HB PRO 52 12.528 -0.220 -8.638 399 2HB PRO 52 1HB PRO 52 12.438 1.521 -8.940 400 1HG PRO 52 2HG PRO 52 10.879 -0.679 -10.144 401 2HG PRO 52 1HG PRO 52 10.455 1.028 -9.949 402 1HD PRO 52 2HD PRO 52 11.369 -0.238 -12.335 403 2HD PRO 52 1HD PRO 52 11.141 1.507 -12.073 404 H THR 53 H THR 53 14.196 -1.005 -8.312 405 HA THR 53 HA THR 53 15.406 -3.193 -9.895 406 HB THR 53 HB THR 53 16.788 -3.680 -8.067 407 HG1 THR 53 HG1 THR 53 16.131 -3.532 -6.068 408 1HG2 THR 53 1HG2 THR 53 17.305 -1.428 -8.982 409 2HG2 THR 53 2HG2 THR 53 17.742 -1.581 -7.280 410 3HG2 THR 53 3HG2 THR 53 16.276 -0.715 -7.740 411 HA PRO 54 HA PRO 54 12.223 -5.965 -8.582 412 1HB PRO 54 2HB PRO 54 13.554 -8.213 -7.751 413 2HB PRO 54 1HB PRO 54 13.372 -7.738 -9.448 414 1HG PRO 54 2HG PRO 54 15.748 -7.529 -7.676 415 2HG PRO 54 1HG PRO 54 15.663 -7.773 -9.427 416 1HD PRO 54 2HD PRO 54 16.249 -5.346 -8.163 417 2HD PRO 54 1HD PRO 54 15.715 -5.516 -9.851 418 H GLU 55 H GLU 55 14.735 -5.323 -6.236 419 HA GLU 55 HA GLU 55 13.256 -6.332 -3.955 420 1HB GLU 55 2HB GLU 55 15.720 -4.569 -4.060 421 2HB GLU 55 1HB GLU 55 15.080 -5.368 -2.625 422 1HG GLU 55 2HG GLU 55 15.403 -7.572 -3.739 423 2HG GLU 55 1HG GLU 55 16.119 -6.744 -5.121 424 H GLU 56 H GLU 56 13.879 -3.224 -5.535 425 HA GLU 56 HA GLU 56 12.735 -1.576 -3.511 426 1HB GLU 56 2HB GLU 56 13.461 -1.199 -6.395 427 2HB GLU 56 1HB GLU 56 12.471 0.017 -5.588 428 1HG GLU 56 2HG GLU 56 14.939 -0.958 -4.197 429 2HG GLU 56 1HG GLU 56 15.123 0.173 -5.537 430 H LEU 57 H LEU 57 11.453 -2.793 -6.622 431 HA LEU 57 HA LEU 57 8.880 -1.680 -6.367 432 1HB LEU 57 2HB LEU 57 8.205 -3.164 -8.108 433 2HB LEU 57 1HB LEU 57 9.816 -2.593 -8.466 434 HG LEU 57 HG LEU 57 10.525 -4.870 -7.308 435 1HD1 LEU 57 1HD1 LEU 57 8.797 -6.226 -6.795 436 2HD1 LEU 57 2HD1 LEU 57 8.381 -6.289 -8.508 437 3HD1 LEU 57 3HD1 LEU 57 7.649 -5.068 -7.469 438 1HD2 LEU 57 1HD2 LEU 57 10.043 -5.928 -9.692 439 2HD2 LEU 57 2HD2 LEU 57 11.198 -4.607 -9.519 440 3HD2 LEU 57 3HD2 LEU 57 9.562 -4.277 -10.086 441 H GLN 58 H GLN 58 10.226 -4.762 -5.222 442 HA GLN 58 HA GLN 58 7.799 -5.979 -4.454 443 1HB GLN 58 2HB GLN 58 10.134 -7.044 -4.574 444 2HB GLN 58 1HB GLN 58 10.391 -6.369 -2.966 445 1HG GLN 58 2HG GLN 58 9.564 -8.637 -2.715 446 2HG GLN 58 1HG GLN 58 8.294 -7.523 -2.209 447 1HE2 GLN 58 1HE2 GLN 58 6.284 -7.730 -3.255 448 2HE2 GLN 58 2HE2 GLN 58 6.022 -8.662 -4.649 449 H GLU 59 H GLU 59 9.982 -3.777 -2.719 450 HA GLU 59 HA GLU 59 8.785 -3.874 -0.180 451 1HB GLU 59 2HB GLU 59 10.443 -1.892 -1.659 452 2HB GLU 59 1HB GLU 59 9.543 -1.295 -0.266 453 1HG GLU 59 2HG GLU 59 11.249 -3.786 -0.122 454 2HG GLU 59 1HG GLU 59 11.905 -2.181 0.199 455 H MET 60 H MET 60 8.070 -1.843 -3.003 456 HA MET 60 HA MET 60 5.981 -0.322 -1.850 457 1HB MET 60 2HB MET 60 6.229 -1.104 -4.764 458 2HB MET 60 1HB MET 60 5.370 0.287 -4.105 459 1HG MET 60 2HG MET 60 7.966 0.512 -3.077 460 2HG MET 60 1HG MET 60 8.192 0.007 -4.751 461 1HE MET 60 1HE MET 60 8.358 1.876 -6.643 462 2HE MET 60 2HE MET 60 6.786 2.615 -6.938 463 3HE MET 60 3HE MET 60 6.894 0.883 -6.636 464 H ILE 61 H ILE 61 6.038 -3.400 -3.566 465 HA ILE 61 HA ILE 61 3.261 -3.815 -3.820 466 HB ILE 61 HB ILE 61 5.524 -5.808 -3.535 467 1HG1 ILE 61 2HG1 ILE 61 5.646 -4.399 -5.545 468 2HG1 ILE 61 1HG1 ILE 61 5.216 -6.049 -5.984 469 1HG2 ILE 61 1HG2 ILE 61 3.408 -6.857 -2.868 470 2HG2 ILE 61 2HG2 ILE 61 3.919 -7.465 -4.440 471 3HG2 ILE 61 3HG2 ILE 61 2.633 -6.263 -4.337 472 1HD1 ILE 61 1HD1 ILE 61 3.632 -3.565 -6.205 473 2HD1 ILE 61 2HD1 ILE 61 2.741 -4.954 -5.588 474 3HD1 ILE 61 3HD1 ILE 61 3.541 -5.045 -7.157 475 H ASP 62 H ASP 62 5.523 -4.977 -1.303 476 HA ASP 62 HA ASP 62 3.615 -6.248 0.323 477 1HB ASP 62 2HB ASP 62 6.299 -5.020 0.934 478 2HB ASP 62 1HB ASP 62 5.324 -5.791 2.184 479 H GLU 63 H GLU 63 4.582 -2.862 0.126 480 HA GLU 63 HA GLU 63 3.201 -2.075 2.532 481 1HB GLU 63 2HB GLU 63 4.553 -0.583 0.300 482 2HB GLU 63 1HB GLU 63 3.596 0.269 1.512 483 1HG GLU 63 2HG GLU 63 4.990 -0.511 3.297 484 2HG GLU 63 1HG GLU 63 5.797 -1.675 2.246 485 H VAL 64 H VAL 64 2.471 -1.945 -0.957 486 HA VAL 64 HA VAL 64 -0.016 -0.527 -0.492 487 HB VAL 64 HB VAL 64 1.329 -0.160 -2.554 488 1HG1 VAL 64 1HG1 VAL 64 1.524 -1.802 -4.242 489 2HG1 VAL 64 2HG1 VAL 64 0.281 -2.822 -3.517 490 3HG1 VAL 64 3HG1 VAL 64 1.865 -2.682 -2.754 491 1HG2 VAL 64 1HG2 VAL 64 -0.561 0.326 -3.749 492 2HG2 VAL 64 2HG2 VAL 64 -1.360 -0.136 -2.247 493 3HG2 VAL 64 3HG2 VAL 64 -1.222 -1.298 -3.565 494 H ASP 65 H ASP 65 0.941 -3.859 -1.281 495 HA ASP 65 HA ASP 65 -1.742 -4.798 -1.619 496 1HB ASP 65 2HB ASP 65 0.780 -5.849 -2.118 497 2HB ASP 65 1HB ASP 65 0.168 -6.845 -0.801 498 H GLU 66 H GLU 66 -3.106 -4.570 0.024 499 HA GLU 66 HA GLU 66 -2.434 -4.629 2.772 500 1HB GLU 66 2HB GLU 66 -4.890 -4.847 3.149 501 2HB GLU 66 1HB GLU 66 -4.472 -3.537 2.046 502 1HG GLU 66 2HG GLU 66 -5.114 -4.829 0.126 503 2HG GLU 66 1HG GLU 66 -5.241 -6.304 1.083 504 H ASP 67 H ASP 67 -3.469 -7.152 0.539 505 HA ASP 67 HA ASP 67 -3.564 -9.127 2.706 506 1HB ASP 67 2HB ASP 67 -4.285 -10.688 0.820 507 2HB ASP 67 1HB ASP 67 -5.402 -9.390 1.232 508 H GLY 68 H GLY 68 -1.647 -8.266 -0.120 509 1HA GLY 68 2HA GLY 68 0.511 -8.863 -0.694 510 2HA GLY 68 1HA GLY 68 0.637 -9.697 0.852 511 H SER 69 H SER 69 -1.536 -10.126 -1.933 512 HA SER 69 HA SER 69 -1.217 -13.008 -1.808 513 1HB SER 69 2HB SER 69 -2.857 -12.990 -3.699 514 2HB SER 69 1HB SER 69 -3.429 -12.170 -2.250 515 HG SER 69 HG SER 69 -3.555 -10.410 -3.387 516 H GLY 70 H GLY 70 0.718 -10.692 -3.158 517 1HA GLY 70 2HA GLY 70 2.494 -10.922 -4.629 518 2HA GLY 70 1HA GLY 70 1.966 -12.571 -4.957 519 H THR 71 H THR 71 -0.444 -10.121 -5.213 520 HA THR 71 HA THR 71 -0.052 -9.762 -8.090 521 HB THR 71 HB THR 71 -2.254 -10.494 -8.691 522 HG1 THR 71 HG1 THR 71 -2.669 -10.982 -5.923 523 1HG2 THR 71 1HG2 THR 71 -1.019 -12.509 -6.790 524 2HG2 THR 71 2HG2 THR 71 -0.603 -12.300 -8.492 525 3HG2 THR 71 3HG2 THR 71 -2.206 -12.883 -8.042 526 H VAL 72 H VAL 72 -0.396 -7.694 -8.603 527 HA VAL 72 HA VAL 72 -1.628 -5.944 -6.608 528 HB VAL 72 HB VAL 72 -0.503 -5.030 -9.249 529 1HG1 VAL 72 1HG1 VAL 72 -1.841 -3.568 -7.557 530 2HG1 VAL 72 2HG1 VAL 72 -0.315 -2.941 -8.182 531 3HG1 VAL 72 3HG1 VAL 72 -0.381 -3.652 -6.570 532 1HG2 VAL 72 1HG2 VAL 72 1.009 -5.624 -6.682 533 2HG2 VAL 72 2HG2 VAL 72 1.669 -4.722 -8.047 534 3HG2 VAL 72 3HG2 VAL 72 1.239 -6.423 -8.238 535 H ASP 73 H ASP 73 -3.688 -5.430 -6.684 536 HA ASP 73 HA ASP 73 -5.292 -5.943 -9.060 537 1HB ASP 73 2HB ASP 73 -5.913 -4.942 -6.276 538 2HB ASP 73 1HB ASP 73 -7.119 -4.916 -7.562 539 H PHE 74 H PHE 74 -6.776 -4.137 -9.851 540 HA PHE 74 HA PHE 74 -5.232 -1.956 -10.713 541 1HB PHE 74 2HB PHE 74 -7.408 -2.801 -11.747 542 2HB PHE 74 1HB PHE 74 -8.239 -1.850 -10.517 543 HD1 PHE 74 HD1 PHE 74 -5.089 -1.193 -12.420 544 HD2 PHE 74 HD2 PHE 74 -9.120 0.036 -11.608 545 HE1 PHE 74 HE1 PHE 74 -4.742 0.844 -13.783 546 HE2 PHE 74 HE2 PHE 74 -8.774 2.077 -12.971 547 HZ PHE 74 HZ PHE 74 -6.584 2.483 -14.060 548 H ASP 75 H ASP 75 -7.384 -2.309 -7.932 549 HA ASP 75 HA ASP 75 -7.395 0.435 -7.158 550 1HB ASP 75 2HB ASP 75 -7.868 -2.120 -5.602 551 2HB ASP 75 1HB ASP 75 -8.012 -0.517 -4.881 552 H GLU 76 H GLU 76 -5.375 -2.359 -6.244 553 HA GLU 76 HA GLU 76 -3.726 -0.909 -4.402 554 1HB GLU 76 2HB GLU 76 -3.057 -3.468 -5.884 555 2HB GLU 76 1HB GLU 76 -2.285 -2.865 -4.419 556 1HG GLU 76 2HG GLU 76 -4.399 -3.087 -3.184 557 2HG GLU 76 1HG GLU 76 -5.214 -3.632 -4.650 558 H PHE 77 H PHE 77 -3.784 -1.306 -7.846 559 HA PHE 77 HA PHE 77 -1.072 -0.677 -8.427 560 1HB PHE 77 2HB PHE 77 -3.146 -1.631 -9.879 561 2HB PHE 77 1HB PHE 77 -3.199 0.054 -10.368 562 HD1 PHE 77 HD1 PHE 77 -2.714 -0.860 -12.652 563 HD2 PHE 77 HD2 PHE 77 0.114 -1.156 -9.425 564 HE1 PHE 77 HE1 PHE 77 -0.894 -1.283 -14.272 565 HE2 PHE 77 HE2 PHE 77 1.925 -1.570 -11.055 566 HZ PHE 77 HZ PHE 77 1.423 -1.638 -13.481 567 H LEU 78 H LEU 78 -4.059 1.268 -8.669 568 HA LEU 78 HA LEU 78 -2.724 3.730 -9.200 569 1HB LEU 78 2HB LEU 78 -5.456 3.452 -7.976 570 2HB LEU 78 1HB LEU 78 -4.848 4.763 -8.970 571 HG LEU 78 HG LEU 78 -5.703 1.997 -9.819 572 1HD1 LEU 78 1HD1 LEU 78 -6.532 4.833 -10.409 573 2HD1 LEU 78 2HD1 LEU 78 -7.521 3.492 -9.830 574 3HD1 LEU 78 3HD1 LEU 78 -6.956 3.513 -11.501 575 1HD2 LEU 78 1HD2 LEU 78 -4.942 2.919 -12.152 576 2HD2 LEU 78 2HD2 LEU 78 -3.738 2.200 -11.081 577 3HD2 LEU 78 3HD2 LEU 78 -3.879 3.955 -11.199 578 H VAL 79 H VAL 79 -3.681 2.067 -6.269 579 HA VAL 79 HA VAL 79 -3.575 4.196 -4.430 580 HB VAL 79 HB VAL 79 -3.377 1.225 -4.262 581 1HG1 VAL 79 1HG1 VAL 79 -2.569 3.071 -1.995 582 2HG1 VAL 79 2HG1 VAL 79 -1.524 1.910 -2.815 583 3HG1 VAL 79 3HG1 VAL 79 -2.878 1.341 -1.836 584 1HG2 VAL 79 1HG2 VAL 79 -5.479 2.726 -4.132 585 2HG2 VAL 79 2HG2 VAL 79 -4.913 3.151 -2.517 586 3HG2 VAL 79 3HG2 VAL 79 -5.298 1.474 -2.905 587 H MET 80 H MET 80 -1.053 1.928 -5.506 588 HA MET 80 HA MET 80 1.095 2.657 -3.967 589 1HB MET 80 2HB MET 80 0.744 1.159 -6.274 590 2HB MET 80 1HB MET 80 1.860 2.428 -6.778 591 1HG MET 80 2HG MET 80 3.025 1.835 -4.458 592 2HG MET 80 1HG MET 80 2.222 0.287 -4.721 593 1HE MET 80 1HE MET 80 4.208 -1.544 -7.130 594 2HE MET 80 2HE MET 80 2.524 -1.233 -6.717 595 3HE MET 80 3HE MET 80 3.708 -1.475 -5.435 596 H MET 81 H MET 81 -0.319 4.480 -6.649 597 HA MET 81 HA MET 81 1.821 6.350 -6.941 598 1HB MET 81 2HB MET 81 0.017 5.941 -8.650 599 2HB MET 81 1HB MET 81 -1.095 6.820 -7.600 600 1HG MET 81 2HG MET 81 -0.182 8.842 -8.114 601 2HG MET 81 1HG MET 81 1.463 8.208 -8.110 602 1HE MET 81 1HE MET 81 1.886 6.477 -11.435 603 2HE MET 81 2HE MET 81 1.996 6.259 -9.690 604 3HE MET 81 3HE MET 81 2.799 7.630 -10.452 605 H VAL 82 H VAL 82 -1.392 6.696 -5.387 606 HA VAL 82 HA VAL 82 -0.857 9.229 -4.227 607 HB VAL 82 HB VAL 82 -2.813 8.768 -2.773 608 1HG1 VAL 82 1HG1 VAL 82 -3.070 9.582 -5.122 609 2HG1 VAL 82 2HG1 VAL 82 -4.444 8.620 -4.577 610 3HG1 VAL 82 3HG1 VAL 82 -3.239 7.908 -5.649 611 1HG2 VAL 82 1HG2 VAL 82 -2.971 6.091 -4.174 612 2HG2 VAL 82 2HG2 VAL 82 -3.959 6.672 -2.833 613 3HG2 VAL 82 3HG2 VAL 82 -2.259 6.281 -2.572 614 H ARG 83 H ARG 83 -0.178 5.961 -3.166 615 HA ARG 83 HA ARG 83 0.228 6.288 -0.434 616 1HB ARG 83 2HB ARG 83 1.575 4.534 -2.481 617 2HB ARG 83 1HB ARG 83 2.067 4.498 -0.789 618 1HG ARG 83 2HG ARG 83 -0.844 4.385 -1.122 619 2HG ARG 83 1HG ARG 83 -0.015 3.032 -1.894 620 1HD ARG 83 2HD ARG 83 1.292 2.773 0.289 621 2HD ARG 83 1HD ARG 83 0.134 3.890 1.003 622 HE ARG 83 HE ARG 83 -1.206 1.737 -0.316 623 1HH1 ARG 83 2HH1 ARG 83 0.603 2.558 2.555 624 2HH1 ARG 83 1HH1 ARG 83 -0.149 1.340 3.527 625 1HH2 ARG 83 1HH2 ARG 83 -2.178 0.148 0.976 626 2HH2 ARG 83 2HH2 ARG 83 -1.718 -0.021 2.637 627 H CYS 84 H CYS 84 2.351 7.104 -3.141 628 HA CYS 84 HA CYS 84 4.474 8.008 -1.334 629 1HB CYS 84 2HB CYS 84 4.289 7.851 -4.349 630 2HB CYS 84 1HB CYS 84 5.670 8.537 -3.492 631 HG CYS 84 HG CYS 84 6.363 6.250 -2.714 632 H MET 85 H MET 85 2.216 9.353 -3.736 633 HA MET 85 HA MET 85 3.127 12.016 -3.685 634 1HB MET 85 2HB MET 85 0.765 10.598 -4.666 635 2HB MET 85 1HB MET 85 0.399 12.233 -4.114 636 1HG MET 85 2HG MET 85 1.049 12.713 -6.275 637 2HG MET 85 1HG MET 85 2.623 12.795 -5.483 638 1HE MET 85 1HE MET 85 1.507 12.422 -8.303 639 2HE MET 85 2HE MET 85 0.687 10.872 -8.467 640 3HE MET 85 3HE MET 85 2.292 11.089 -9.159 641 H LYS 86 H LYS 86 0.217 10.719 -2.046 642 HA LYS 86 HA LYS 86 0.230 13.001 -0.218 643 1HB LYS 86 2HB LYS 86 -1.812 11.574 -1.383 644 2HB LYS 86 1HB LYS 86 -1.764 10.897 0.244 645 1HG LYS 86 2HG LYS 86 -1.478 13.621 0.692 646 2HG LYS 86 1HG LYS 86 -2.630 13.553 -0.642 647 1HD LYS 86 2HD LYS 86 -4.046 12.005 0.624 648 2HD LYS 86 1HD LYS 86 -2.877 11.987 1.945 649 1HE LYS 86 2HE LYS 86 -3.955 14.627 1.018 650 2HE LYS 86 1HE LYS 86 -4.976 13.605 2.028 651 1HZ LYS 86 1HZ LYS 86 -3.707 15.044 3.426 652 2HZ LYS 86 2HZ LYS 86 -2.252 14.594 2.674 653 3HZ LYS 86 3HZ LYS 86 -3.107 13.470 3.618 654 H ASP 87 H ASP 87 -0.290 12.513 2.117 655 HA ASP 87 HA ASP 87 0.379 11.705 4.151 656 1HB ASP 87 2HB ASP 87 -0.825 9.655 3.255 657 2HB ASP 87 1HB ASP 87 0.758 9.032 2.791 658 H ASP 88 H ASP 88 2.274 13.124 3.532 659 HA ASP 88 HA ASP 88 4.747 11.934 2.735 660 1HB ASP 88 2HB ASP 88 4.080 14.559 4.078 661 2HB ASP 88 1HB ASP 88 5.731 14.089 3.673 662 H SER 89 HN SER 89 3.251 12.665 5.862 663 HA SER 89 HA SER 89 5.522 11.991 7.458 664 1HB SER 89 2HB SER 89 3.821 11.822 9.315 665 2HB SER 89 1HB SER 89 3.819 13.359 8.455 666 HG SER 89 HG SER 89 1.939 11.310 8.498 Start of MODEL 8 1 1H MET 1 1H MET 1 -8.926 11.989 7.589 2 2H MET 1 2H MET 1 -7.800 13.214 7.241 3 3H MET 1 3H MET 1 -8.912 13.414 8.510 4 HA MET 1 HA MET 1 -6.752 12.883 9.406 5 1HB MET 1 2HB MET 1 -9.022 10.941 9.625 6 2HB MET 1 1HB MET 1 -7.494 10.529 10.402 7 1HG MET 1 2HG MET 1 -8.556 13.291 10.818 8 2HG MET 1 1HG MET 1 -9.358 11.968 11.667 9 1HE MET 1 1HE MET 1 -8.991 13.287 13.450 10 2HE MET 1 2HE MET 1 -7.489 14.097 13.887 11 3HE MET 1 3HE MET 1 -7.906 12.562 14.643 12 H ASN 2 H ASN 2 -7.993 9.989 7.694 13 HA ASN 2 HA ASN 2 -5.339 9.572 6.502 14 1HB ASN 2 2HB ASN 2 -5.445 7.136 7.148 15 2HB ASN 2 1HB ASN 2 -5.169 8.240 8.495 16 1HD2 ASN 2 1HD2 ASN 2 -7.518 6.031 7.043 17 2HD2 ASN 2 2HD2 ASN 2 -8.615 6.066 8.338 18 H ASP 3 H ASP 3 -7.969 10.383 5.452 19 HA ASP 3 HA ASP 3 -8.622 8.051 3.752 20 1HB ASP 3 2HB ASP 3 -10.226 10.502 4.499 21 2HB ASP 3 1HB ASP 3 -10.707 9.398 3.211 22 H ILE 4 H ILE 4 -6.295 9.779 3.348 23 HA ILE 4 HA ILE 4 -6.948 11.477 1.083 24 HB ILE 4 HB ILE 4 -4.531 11.948 0.990 25 1HG1 ILE 4 2HG1 ILE 4 -3.378 10.915 3.219 26 2HG1 ILE 4 1HG1 ILE 4 -4.459 9.588 2.801 27 1HG2 ILE 4 1HG2 ILE 4 -5.650 13.405 2.449 28 2HG2 ILE 4 2HG2 ILE 4 -4.358 12.763 3.461 29 3HG2 ILE 4 3HG2 ILE 4 -5.996 12.128 3.615 30 1HD1 ILE 4 1HD1 ILE 4 -3.517 9.948 0.376 31 2HD1 ILE 4 2HD1 ILE 4 -2.560 9.054 1.555 32 3HD1 ILE 4 3HD1 ILE 4 -2.186 10.743 1.215 33 H TYR 5 H TYR 5 -5.574 8.300 1.669 34 HA TYR 5 HA TYR 5 -4.553 7.808 -0.939 35 1HB TYR 5 2HB TYR 5 -5.604 5.810 1.089 36 2HB TYR 5 1HB TYR 5 -4.605 5.431 -0.314 37 HD1 TYR 5 HD1 TYR 5 -4.655 6.742 3.088 38 HD2 TYR 5 HD2 TYR 5 -2.251 6.269 -0.443 39 HE1 TYR 5 HE1 TYR 5 -2.617 7.220 4.411 40 HE2 TYR 5 HE2 TYR 5 -0.213 6.751 0.881 41 HH TYR 5 HH TYR 5 0.142 6.464 3.873 42 H LYS 6 H LYS 6 -7.706 7.385 0.572 43 HA LYS 6 HA LYS 6 -8.868 6.077 -1.750 44 1HB LYS 6 2HB LYS 6 -10.102 7.085 0.823 45 2HB LYS 6 1HB LYS 6 -10.982 6.219 -0.436 46 1HG LYS 6 2HG LYS 6 -9.387 4.315 -0.191 47 2HG LYS 6 1HG LYS 6 -8.617 5.170 1.146 48 1HD LYS 6 2HD LYS 6 -11.585 4.642 1.160 49 2HD LYS 6 1HD LYS 6 -10.446 3.417 1.717 50 1HE LYS 6 2HE LYS 6 -9.495 5.049 3.324 51 2HE LYS 6 1HE LYS 6 -10.672 6.246 2.787 52 1HZ LYS 6 1HZ LYS 6 -11.465 5.170 4.763 53 2HZ LYS 6 2HZ LYS 6 -11.266 3.633 4.068 54 3HZ LYS 6 3HZ LYS 6 -12.441 4.699 3.459 55 H ALA 7 H ALA 7 -8.663 9.309 -0.400 56 HA ALA 7 HA ALA 7 -10.829 10.495 -1.786 57 1HB ALA 7 1HB ALA 7 -8.269 11.644 -0.667 58 2HB ALA 7 2HB ALA 7 -9.888 11.718 0.030 59 3HB ALA 7 3HB ALA 7 -9.512 12.640 -1.425 60 H ALA 8 H ALA 8 -7.400 10.067 -2.655 61 HA ALA 8 HA ALA 8 -7.544 11.585 -5.072 62 1HB ALA 8 1HB ALA 8 -5.385 10.475 -5.622 63 2HB ALA 8 2HB ALA 8 -5.582 9.450 -4.200 64 3HB ALA 8 3HB ALA 8 -5.389 11.195 -4.012 65 H VAL 9 H VAL 9 -7.728 8.105 -4.350 66 HA VAL 9 HA VAL 9 -8.031 7.300 -7.074 67 HB VAL 9 HB VAL 9 -7.292 5.844 -5.121 68 1HG1 VAL 9 1HG1 VAL 9 -10.285 5.740 -4.655 69 2HG1 VAL 9 2HG1 VAL 9 -9.091 6.452 -3.572 70 3HG1 VAL 9 3HG1 VAL 9 -9.087 4.714 -3.864 71 1HG2 VAL 9 1HG2 VAL 9 -9.219 4.056 -6.140 72 2HG2 VAL 9 2HG2 VAL 9 -7.585 4.313 -6.751 73 3HG2 VAL 9 3HG2 VAL 9 -8.933 5.223 -7.431 74 H GLU 10 H GLU 10 -10.199 8.639 -4.731 75 HA GLU 10 HA GLU 10 -12.616 7.674 -6.005 76 1HB GLU 10 2HB GLU 10 -11.951 9.276 -3.611 77 2HB GLU 10 1HB GLU 10 -13.467 9.696 -4.408 78 1HG GLU 10 2HG GLU 10 -14.337 7.504 -4.166 79 2HG GLU 10 1HG GLU 10 -12.751 6.829 -3.793 80 H GLN 11 H GLN 11 -10.477 10.407 -6.341 81 HA GLN 11 HA GLN 11 -12.395 11.605 -8.253 82 1HB GLN 11 2HB GLN 11 -11.749 13.819 -7.595 83 2HB GLN 11 1HB GLN 11 -12.180 12.939 -6.131 84 1HG GLN 11 2HG GLN 11 -9.599 12.362 -6.085 85 2HG GLN 11 1HG GLN 11 -9.471 13.803 -7.093 86 1HE2 GLN 11 1HE2 GLN 11 -8.577 13.429 -4.240 87 2HE2 GLN 11 2HE2 GLN 11 -9.385 14.632 -3.357 88 H LEU 12 H LEU 12 -10.165 9.716 -8.706 89 HA LEU 12 HA LEU 12 -7.943 11.124 -9.824 90 1HB LEU 12 2HB LEU 12 -7.764 8.856 -11.174 91 2HB LEU 12 1HB LEU 12 -7.295 8.977 -9.497 92 HG LEU 12 HG LEU 12 -9.326 7.896 -8.787 93 1HD1 LEU 12 1HD1 LEU 12 -11.048 8.667 -10.171 94 2HD1 LEU 12 2HD1 LEU 12 -10.844 7.006 -10.727 95 3HD1 LEU 12 3HD1 LEU 12 -10.141 8.337 -11.648 96 1HD2 LEU 12 1HD2 LEU 12 -8.944 5.724 -9.688 97 2HD2 LEU 12 2HD2 LEU 12 -7.387 6.548 -9.781 98 3HD2 LEU 12 3HD2 LEU 12 -8.384 6.381 -11.227 99 H THR 13 H THR 13 -7.377 10.663 -12.250 100 HA THR 13 HA THR 13 -9.668 11.627 -13.850 101 HB THR 13 HB THR 13 -7.473 12.076 -15.416 102 HG1 THR 13 HG1 THR 13 -5.798 12.013 -14.189 103 1HG2 THR 13 1HG2 THR 13 -7.638 14.441 -14.193 104 2HG2 THR 13 2HG2 THR 13 -9.084 13.697 -13.511 105 3HG2 THR 13 3HG2 THR 13 -8.912 13.850 -15.260 106 H ASP 14 H ASP 14 -9.474 11.045 -16.216 107 HA ASP 14 HA ASP 14 -9.445 8.190 -16.467 108 1HB ASP 14 2HB ASP 14 -9.626 10.362 -18.576 109 2HB ASP 14 1HB ASP 14 -9.820 8.639 -18.898 110 H GLU 15 H GLU 15 -7.222 10.812 -17.228 111 HA GLU 15 HA GLU 15 -5.390 9.226 -18.765 112 1HB GLU 15 2HB GLU 15 -5.313 11.937 -17.495 113 2HB GLU 15 1HB GLU 15 -3.799 11.193 -18.008 114 1HG GLU 15 2HG GLU 15 -4.994 10.743 -20.251 115 2HG GLU 15 1HG GLU 15 -6.198 11.906 -19.696 116 H GLN 16 H GLN 16 -5.780 9.996 -15.350 117 HA GLN 16 HA GLN 16 -3.256 9.031 -14.454 118 1HB GLN 16 2HB GLN 16 -5.466 10.282 -13.286 119 2HB GLN 16 1HB GLN 16 -5.393 8.700 -12.514 120 1HG GLN 16 2HG GLN 16 -3.064 9.053 -11.902 121 2HG GLN 16 1HG GLN 16 -3.034 10.582 -12.782 122 1HE2 GLN 16 1HE2 GLN 16 -5.516 9.236 -10.534 123 2HE2 GLN 16 2HE2 GLN 16 -5.479 10.559 -9.473 124 H LYS 17 H LYS 17 -6.511 7.545 -14.494 125 HA LYS 17 HA LYS 17 -5.582 5.014 -13.536 126 1HB LYS 17 2HB LYS 17 -7.819 4.175 -14.205 127 2HB LYS 17 1HB LYS 17 -7.913 5.634 -13.222 128 1HG LYS 17 2HG LYS 17 -7.955 6.897 -15.496 129 2HG LYS 17 1HG LYS 17 -8.380 5.325 -16.179 130 1HD LYS 17 2HD LYS 17 -10.066 5.465 -14.018 131 2HD LYS 17 1HD LYS 17 -9.990 7.153 -14.526 132 1HE LYS 17 2HE LYS 17 -10.522 6.436 -16.859 133 2HE LYS 17 1HE LYS 17 -10.705 4.782 -16.277 134 1HZ LYS 17 1HZ LYS 17 -12.838 5.872 -16.391 135 2HZ LYS 17 2HZ LYS 17 -12.291 7.136 -15.396 136 3HZ LYS 17 3HZ LYS 17 -12.447 5.562 -14.771 137 H ASN 18 H ASN 18 -6.093 6.398 -16.755 138 HA ASN 18 HA ASN 18 -5.829 4.008 -18.253 139 1HB ASN 18 2HB ASN 18 -5.503 6.919 -18.864 140 2HB ASN 18 1HB ASN 18 -4.890 5.739 -20.022 141 1HD2 ASN 18 1HD2 ASN 18 -6.495 5.842 -21.651 142 2HD2 ASN 18 2HD2 ASN 18 -8.140 5.538 -21.369 143 H GLU 19 H GLU 19 -3.464 6.219 -16.851 144 HA GLU 19 HA GLU 19 -1.143 5.417 -18.193 145 1HB GLU 19 2HB GLU 19 -1.244 7.323 -16.601 146 2HB GLU 19 1HB GLU 19 -1.386 6.176 -15.268 147 1HG GLU 19 2HG GLU 19 0.797 5.283 -15.682 148 2HG GLU 19 1HG GLU 19 0.917 6.119 -17.231 149 H PHE 20 H PHE 20 -2.608 4.106 -15.220 150 HA PHE 20 HA PHE 20 -0.685 1.947 -15.035 151 1HB PHE 20 2HB PHE 20 -3.178 2.685 -13.520 152 2HB PHE 20 1HB PHE 20 -2.374 1.141 -13.259 153 HD1 PHE 20 HD1 PHE 20 -2.211 4.754 -12.743 154 HD2 PHE 20 HD2 PHE 20 -0.037 1.063 -12.425 155 HE1 PHE 20 HE1 PHE 20 -0.574 5.852 -11.242 156 HE2 PHE 20 HE2 PHE 20 1.593 2.151 -10.910 157 HZ PHE 20 HZ PHE 20 1.331 4.549 -10.322 158 H LYS 21 H LYS 21 -4.138 2.257 -15.841 159 HA LYS 21 HA LYS 21 -4.816 -0.399 -16.214 160 1HB LYS 21 2HB LYS 21 -6.402 1.514 -16.312 161 2HB LYS 21 1HB LYS 21 -5.783 1.906 -17.915 162 1HG LYS 21 2HG LYS 21 -6.492 -0.918 -17.677 163 2HG LYS 21 1HG LYS 21 -7.865 0.138 -17.345 164 1HD LYS 21 2HD LYS 21 -6.226 0.940 -19.672 165 2HD LYS 21 1HD LYS 21 -7.072 -0.597 -19.859 166 1HE LYS 21 2HE LYS 21 -8.692 0.914 -20.592 167 2HE LYS 21 1HE LYS 21 -9.124 0.734 -18.893 168 1HZ LYS 21 1HZ LYS 21 -7.365 2.878 -19.955 169 2HZ LYS 21 2HZ LYS 21 -7.948 2.733 -18.365 170 3HZ LYS 21 3HZ LYS 21 -9.021 3.067 -19.641 171 H ALA 22 H ALA 22 -3.034 1.725 -18.413 172 HA ALA 22 HA ALA 22 -3.171 0.176 -20.758 173 1HB ALA 22 1HB ALA 22 -2.214 2.442 -20.736 174 2HB ALA 22 2HB ALA 22 -1.057 1.288 -21.401 175 3HB ALA 22 3HB ALA 22 -0.870 1.870 -19.747 176 H ALA 23 H ALA 23 -0.650 0.221 -18.237 177 HA ALA 23 HA ALA 23 0.762 -2.053 -19.218 178 1HB ALA 23 1HB ALA 23 1.745 -2.058 -16.862 179 2HB ALA 23 2HB ALA 23 0.727 -0.657 -16.532 180 3HB ALA 23 3HB ALA 23 1.969 -0.571 -17.783 181 H PHE 24 H PHE 24 -1.771 -1.550 -16.819 182 HA PHE 24 HA PHE 24 -1.850 -4.100 -15.661 183 1HB PHE 24 2HB PHE 24 -3.124 -1.949 -14.999 184 2HB PHE 24 1HB PHE 24 -4.326 -2.458 -16.183 185 HD1 PHE 24 HD1 PHE 24 -5.298 -4.837 -15.960 186 HD2 PHE 24 HD2 PHE 24 -3.110 -2.873 -12.833 187 HE1 PHE 24 HE1 PHE 24 -6.263 -6.404 -14.299 188 HE2 PHE 24 HE2 PHE 24 -4.074 -4.437 -11.176 189 HZ PHE 24 HZ PHE 24 -5.649 -6.200 -11.910 190 H ASP 25 H ASP 25 -3.472 -2.844 -18.567 191 HA ASP 25 HA ASP 25 -5.054 -5.131 -19.103 192 1HB ASP 25 2HB ASP 25 -5.192 -2.738 -20.110 193 2HB ASP 25 1HB ASP 25 -4.016 -3.339 -21.278 194 H ILE 26 H ILE 26 -1.877 -4.136 -20.395 195 HA ILE 26 HA ILE 26 -1.595 -6.389 -22.113 196 HB ILE 26 HB ILE 26 0.804 -5.743 -22.241 197 1HG1 ILE 26 2HG1 ILE 26 0.004 -3.575 -20.270 198 2HG1 ILE 26 1HG1 ILE 26 0.993 -4.975 -19.861 199 1HG2 ILE 26 1HG2 ILE 26 -1.086 -4.637 -23.555 200 2HG2 ILE 26 2HG2 ILE 26 0.397 -3.695 -23.404 201 3HG2 ILE 26 3HG2 ILE 26 -0.996 -3.316 -22.391 202 1HD1 ILE 26 1HD1 ILE 26 1.932 -2.537 -20.815 203 2HD1 ILE 26 2HD1 ILE 26 1.985 -3.587 -22.230 204 3HD1 ILE 26 3HD1 ILE 26 2.841 -4.046 -20.759 205 H PHE 27 H PHE 27 -0.616 -5.793 -18.766 206 HA PHE 27 HA PHE 27 0.895 -8.248 -18.571 207 1HB PHE 27 2HB PHE 27 -0.054 -6.297 -16.462 208 2HB PHE 27 1HB PHE 27 0.952 -7.706 -16.123 209 HD1 PHE 27 HD1 PHE 27 2.771 -7.814 -18.406 210 HD2 PHE 27 HD2 PHE 27 1.326 -4.403 -16.228 211 HE1 PHE 27 HE1 PHE 27 4.775 -6.530 -19.090 212 HE2 PHE 27 HE2 PHE 27 3.335 -3.120 -16.917 213 HZ PHE 27 HZ PHE 27 5.057 -4.184 -18.347 214 H ILE 28 H ILE 28 -2.414 -7.252 -17.903 215 HA ILE 28 HA ILE 28 -2.984 -9.915 -16.777 216 HB ILE 28 HB ILE 28 -3.647 -7.584 -15.704 217 1HG1 ILE 28 2HG1 ILE 28 -4.114 -9.915 -14.874 218 2HG1 ILE 28 1HG1 ILE 28 -5.326 -8.716 -14.432 219 1HG2 ILE 28 1HG2 ILE 28 -5.669 -6.641 -16.323 220 2HG2 ILE 28 2HG2 ILE 28 -6.228 -8.099 -17.135 221 3HG2 ILE 28 3HG2 ILE 28 -5.001 -7.085 -17.893 222 1HD1 ILE 28 1HD1 ILE 28 -5.516 -10.734 -16.683 223 2HD1 ILE 28 2HD1 ILE 28 -6.701 -9.464 -16.387 224 3HD1 ILE 28 3HD1 ILE 28 -6.452 -10.734 -15.190 225 H GLN 29 H GLN 29 -2.408 -9.681 -19.499 226 HA GLN 29 HA GLN 29 -4.850 -9.636 -21.047 227 1HB GLN 29 2HB GLN 29 -2.625 -8.933 -21.964 228 2HB GLN 29 1HB GLN 29 -2.100 -10.612 -21.858 229 1HG GLN 29 2HG GLN 29 -3.711 -11.325 -23.459 230 2HG GLN 29 1HG GLN 29 -4.592 -9.800 -23.362 231 1HE2 GLN 29 1HE2 GLN 29 -3.337 -7.810 -24.143 232 2HE2 GLN 29 2HE2 GLN 29 -2.224 -8.024 -25.406 233 H ASP 30 H ASP 30 -2.452 -12.123 -20.141 234 HA ASP 30 HA ASP 30 -4.188 -14.263 -21.075 235 1HB ASP 30 2HB ASP 30 -1.446 -14.233 -19.810 236 2HB ASP 30 1HB ASP 30 -2.308 -15.723 -20.195 237 H ALA 31 H ALA 31 -4.185 -12.448 -18.279 238 HA ALA 31 HA ALA 31 -4.841 -14.717 -16.523 239 1HB ALA 31 1HB ALA 31 -3.531 -13.373 -15.210 240 2HB ALA 31 2HB ALA 31 -5.086 -12.603 -14.890 241 3HB ALA 31 3HB ALA 31 -3.982 -11.903 -16.075 242 H GLU 32 H GLU 32 -6.799 -14.730 -15.325 243 HA GLU 32 HA GLU 32 -8.969 -13.055 -16.443 244 1HB GLU 32 2HB GLU 32 -10.484 -15.013 -16.318 245 2HB GLU 32 1HB GLU 32 -9.164 -15.266 -17.458 246 1HG GLU 32 2HG GLU 32 -7.917 -16.443 -15.575 247 2HG GLU 32 1HG GLU 32 -9.420 -16.387 -14.655 248 H ASP 33 H ASP 33 -7.483 -12.602 -14.043 249 HA ASP 33 HA ASP 33 -9.553 -13.119 -11.987 250 1HB ASP 33 2HB ASP 33 -6.553 -12.889 -11.744 251 2HB ASP 33 1HB ASP 33 -7.624 -12.708 -10.354 252 H GLY 34 H GLY 34 -7.213 -10.768 -13.256 253 1HA GLY 34 2HA GLY 34 -7.814 -8.461 -13.570 254 2HA GLY 34 1HA GLY 34 -8.899 -8.592 -12.191 255 H CYS 35 H CYS 35 -5.537 -9.692 -12.471 256 HA CYS 35 HA CYS 35 -4.551 -7.535 -10.770 257 1HB CYS 35 2HB CYS 35 -3.974 -10.326 -9.823 258 2HB CYS 35 1HB CYS 35 -3.892 -8.808 -8.932 259 HG CYS 35 HG CYS 35 -6.506 -10.399 -9.512 260 H ILE 36 H ILE 36 -2.394 -7.152 -11.084 261 HA ILE 36 HA ILE 36 -1.102 -8.714 -13.196 262 HB ILE 36 HB ILE 36 0.498 -6.938 -13.374 263 1HG1 ILE 36 2HG1 ILE 36 -0.207 -4.961 -11.550 264 2HG1 ILE 36 1HG1 ILE 36 -0.287 -6.439 -10.591 265 1HG2 ILE 36 1HG2 ILE 36 -1.982 -6.592 -14.099 266 2HG2 ILE 36 2HG2 ILE 36 -0.905 -5.195 -14.073 267 3HG2 ILE 36 3HG2 ILE 36 -2.045 -5.455 -12.752 268 1HD1 ILE 36 1HD1 ILE 36 1.974 -6.948 -10.945 269 2HD1 ILE 36 2HD1 ILE 36 2.008 -5.191 -10.811 270 3HD1 ILE 36 3HD1 ILE 36 2.070 -5.956 -12.398 271 H SER 37 H SER 37 1.434 -8.865 -12.827 272 HA SER 37 HA SER 37 1.745 -10.482 -10.404 273 1HB SER 37 2HB SER 37 2.527 -11.035 -12.903 274 2HB SER 37 1HB SER 37 3.972 -10.188 -12.360 275 HG SER 37 HG SER 37 4.130 -12.381 -11.861 276 H THR 38 H THR 38 2.358 -9.426 -8.633 277 HA THR 38 HA THR 38 3.567 -6.911 -8.482 278 HB THR 38 HB THR 38 4.147 -7.470 -6.163 279 HG1 THR 38 HG1 THR 38 3.350 -10.095 -6.882 280 1HG2 THR 38 1HG2 THR 38 1.813 -8.377 -5.494 281 2HG2 THR 38 2HG2 THR 38 1.465 -8.329 -7.221 282 3HG2 THR 38 3HG2 THR 38 1.892 -6.849 -6.367 283 H LYS 39 H LYS 39 5.043 -10.139 -8.563 284 HA LYS 39 HA LYS 39 7.723 -9.335 -8.146 285 1HB LYS 39 2HB LYS 39 8.350 -11.502 -9.100 286 2HB LYS 39 1HB LYS 39 6.989 -11.693 -7.996 287 1HG LYS 39 2HG LYS 39 5.565 -11.341 -10.203 288 2HG LYS 39 1HG LYS 39 7.045 -11.888 -10.987 289 1HD LYS 39 2HD LYS 39 6.096 -13.466 -8.642 290 2HD LYS 39 1HD LYS 39 5.163 -13.604 -10.132 291 1HE LYS 39 2HE LYS 39 7.582 -13.873 -11.211 292 2HE LYS 39 1HE LYS 39 7.990 -14.417 -9.584 293 1HZ LYS 39 1HZ LYS 39 5.821 -15.511 -11.294 294 2HZ LYS 39 2HZ LYS 39 6.174 -16.017 -9.712 295 3HZ LYS 39 3HZ LYS 39 7.301 -16.267 -10.958 296 H GLU 40 H GLU 40 5.658 -9.236 -10.968 297 HA GLU 40 HA GLU 40 7.944 -8.466 -12.671 298 1HB GLU 40 2HB GLU 40 5.110 -9.168 -13.477 299 2HB GLU 40 1HB GLU 40 6.458 -8.849 -14.568 300 1HG GLU 40 2HG GLU 40 7.681 -10.770 -13.437 301 2HG GLU 40 1HG GLU 40 6.159 -11.160 -12.638 302 H LEU 41 H LEU 41 6.467 -6.766 -10.591 303 HA LEU 41 HA LEU 41 4.887 -4.842 -11.932 304 1HB LEU 41 2HB LEU 41 5.151 -5.198 -9.414 305 2HB LEU 41 1HB LEU 41 6.615 -4.247 -9.545 306 HG LEU 41 HG LEU 41 4.124 -3.071 -10.680 307 1HD1 LEU 41 1HD1 LEU 41 3.178 -2.497 -8.612 308 2HD1 LEU 41 2HD1 LEU 41 4.655 -2.869 -7.724 309 3HD1 LEU 41 3HD1 LEU 41 3.655 -4.175 -8.363 310 1HD2 LEU 41 1HD2 LEU 41 6.662 -2.175 -9.347 311 2HD2 LEU 41 2HD2 LEU 41 5.261 -1.103 -9.335 312 3HD2 LEU 41 3HD2 LEU 41 5.950 -1.637 -10.867 313 H GLY 42 H GLY 42 8.356 -5.286 -11.700 314 1HA GLY 42 2HA GLY 42 9.291 -2.718 -12.300 315 2HA GLY 42 1HA GLY 42 10.100 -4.214 -12.761 316 H LYS 43 H LYS 43 7.807 -5.164 -14.344 317 HA LYS 43 HA LYS 43 8.491 -4.056 -16.875 318 1HB LYS 43 2HB LYS 43 6.103 -5.768 -16.135 319 2HB LYS 43 1HB LYS 43 6.706 -5.477 -17.766 320 1HG LYS 43 2HG LYS 43 8.874 -6.506 -17.135 321 2HG LYS 43 1HG LYS 43 8.232 -6.839 -15.526 322 1HD LYS 43 2HD LYS 43 7.828 -8.866 -16.606 323 2HD LYS 43 1HD LYS 43 6.295 -8.028 -16.852 324 1HE LYS 43 2HE LYS 43 6.874 -8.878 -18.996 325 2HE LYS 43 1HE LYS 43 7.305 -7.169 -19.056 326 1HZ LYS 43 1HZ LYS 43 9.242 -9.287 -18.315 327 2HZ LYS 43 2HZ LYS 43 9.569 -7.673 -18.734 328 3HZ LYS 43 3HZ LYS 43 9.022 -8.767 -19.913 329 H VAL 44 H VAL 44 6.104 -3.218 -14.481 330 HA VAL 44 HA VAL 44 4.582 -1.580 -16.369 331 HB VAL 44 HB VAL 44 2.877 -1.500 -14.846 332 1HG1 VAL 44 1HG1 VAL 44 3.869 -3.684 -13.184 333 2HG1 VAL 44 2HG1 VAL 44 4.157 -3.972 -14.898 334 3HG1 VAL 44 3HG1 VAL 44 2.520 -3.662 -14.319 335 1HG2 VAL 44 1HG2 VAL 44 5.058 -1.284 -12.794 336 2HG2 VAL 44 2HG2 VAL 44 3.449 -1.772 -12.279 337 3HG2 VAL 44 3HG2 VAL 44 3.683 -0.217 -13.078 338 H MET 45 H MET 45 6.886 -1.312 -13.726 339 HA MET 45 HA MET 45 6.733 1.470 -13.281 340 1HB MET 45 2HB MET 45 8.908 -0.574 -12.875 341 2HB MET 45 1HB MET 45 9.207 1.137 -12.572 342 1HG MET 45 2HG MET 45 6.707 0.456 -11.366 343 2HG MET 45 1HG MET 45 7.894 -0.752 -10.876 344 1HE MET 45 1HE MET 45 7.053 2.674 -8.639 345 2HE MET 45 2HE MET 45 7.014 0.949 -8.281 346 3HE MET 45 3HE MET 45 6.137 1.574 -9.675 347 H ARG 46 H ARG 46 8.670 -0.486 -15.535 348 HA ARG 46 HA ARG 46 10.250 1.594 -16.600 349 1HB ARG 46 2HB ARG 46 10.525 0.131 -18.590 350 2HB ARG 46 1HB ARG 46 10.792 -0.727 -17.073 351 1HG ARG 46 2HG ARG 46 8.612 -1.741 -17.172 352 2HG ARG 46 1HG ARG 46 8.140 -0.726 -18.533 353 1HD ARG 46 2HD ARG 46 10.010 -1.771 -19.857 354 2HD ARG 46 1HD ARG 46 10.253 -2.891 -18.522 355 HE ARG 46 HE ARG 46 7.572 -3.102 -19.147 356 1HH1 ARG 46 2HH1 ARG 46 10.596 -3.464 -20.856 357 2HH1 ARG 46 1HH1 ARG 46 9.975 -4.639 -21.962 358 1HH2 ARG 46 1HH2 ARG 46 6.778 -4.645 -20.607 359 2HH2 ARG 46 2HH2 ARG 46 7.819 -5.306 -21.823 360 H MET 47 H MET 47 6.974 0.536 -17.356 361 HA MET 47 HA MET 47 6.679 2.213 -19.681 362 1HB MET 47 2HB MET 47 4.776 0.612 -17.979 363 2HB MET 47 1HB MET 47 4.186 1.692 -19.243 364 1HG MET 47 2HG MET 47 6.291 -0.419 -19.764 365 2HG MET 47 1HG MET 47 4.566 -0.735 -19.946 366 1HE MET 47 1HE MET 47 7.522 -0.245 -21.505 367 2HE MET 47 2HE MET 47 7.638 1.507 -21.359 368 3HE MET 47 3HE MET 47 7.362 0.778 -22.939 369 H LEU 48 H LEU 48 6.087 2.506 -16.232 370 HA LEU 48 HA LEU 48 4.511 4.908 -16.373 371 1HB LEU 48 2HB LEU 48 5.789 3.287 -14.237 372 2HB LEU 48 1HB LEU 48 5.456 4.964 -13.873 373 HG LEU 48 HG LEU 48 3.092 4.638 -14.185 374 1HD1 LEU 48 1HD1 LEU 48 3.315 1.716 -14.691 375 2HD1 LEU 48 2HD1 LEU 48 3.717 2.772 -16.046 376 3HD1 LEU 48 3HD1 LEU 48 2.129 2.875 -15.290 377 1HD2 LEU 48 1HD2 LEU 48 3.212 3.904 -12.048 378 2HD2 LEU 48 2HD2 LEU 48 4.679 2.982 -12.375 379 3HD2 LEU 48 3HD2 LEU 48 3.098 2.270 -12.702 380 H GLY 49 H GLY 49 7.928 4.138 -16.083 381 1HA GLY 49 2HA GLY 49 9.391 5.930 -17.090 382 2HA GLY 49 1HA GLY 49 8.562 7.035 -16.005 383 H GLN 50 H GLN 50 9.341 3.836 -14.840 384 HA GLN 50 HA GLN 50 11.729 4.842 -13.433 385 1HB GLN 50 2HB GLN 50 9.484 3.290 -12.117 386 2HB GLN 50 1HB GLN 50 10.966 3.847 -11.341 387 1HG GLN 50 2HG GLN 50 10.048 5.862 -10.949 388 2HG GLN 50 1HG GLN 50 9.711 6.065 -12.667 389 1HE2 GLN 50 1HE2 GLN 50 7.530 6.253 -13.155 390 2HE2 GLN 50 2HE2 GLN 50 6.265 5.628 -12.213 391 H ASN 51 H ASN 51 13.169 3.167 -12.699 392 HA ASN 51 HA ASN 51 12.634 0.453 -13.674 393 1HB ASN 51 2HB ASN 51 14.971 0.413 -14.707 394 2HB ASN 51 1HB ASN 51 13.736 1.301 -15.595 395 1HD2 ASN 51 1HD2 ASN 51 16.851 1.568 -14.156 396 2HD2 ASN 51 2HD2 ASN 51 17.009 3.253 -14.280 397 HA PRO 52 HA PRO 52 14.989 0.542 -9.690 398 1HB PRO 52 2HB PRO 52 13.042 -0.567 -8.124 399 2HB PRO 52 1HB PRO 52 13.183 1.171 -8.429 400 1HG PRO 52 2HG PRO 52 11.206 -0.756 -9.461 401 2HG PRO 52 1HG PRO 52 11.082 1.000 -9.285 402 1HD PRO 52 2HD PRO 52 11.613 -0.466 -11.690 403 2HD PRO 52 1HD PRO 52 11.612 1.301 -11.482 404 H THR 53 H THR 53 14.584 -1.626 -7.946 405 HA THR 53 HA THR 53 15.393 -3.903 -9.644 406 HB THR 53 HB THR 53 16.728 -4.665 -7.887 407 HG1 THR 53 HG1 THR 53 16.115 -4.573 -5.875 408 1HG2 THR 53 1HG2 THR 53 16.643 -1.694 -7.318 409 2HG2 THR 53 2HG2 THR 53 17.494 -2.420 -8.683 410 3HG2 THR 53 3HG2 THR 53 17.994 -2.792 -7.033 411 HA PRO 54 HA PRO 54 11.868 -6.259 -8.423 412 1HB PRO 54 2HB PRO 54 12.871 -8.701 -7.681 413 2HB PRO 54 1HB PRO 54 12.748 -8.144 -9.357 414 1HG PRO 54 2HG PRO 54 15.141 -8.331 -7.602 415 2HG PRO 54 1HG PRO 54 15.013 -8.498 -9.360 416 1HD PRO 54 2HD PRO 54 15.942 -6.226 -8.026 417 2HD PRO 54 1HD PRO 54 15.368 -6.256 -9.710 418 H GLU 55 H GLU 55 14.443 -6.098 -6.052 419 HA GLU 55 HA GLU 55 12.789 -6.944 -3.824 420 1HB GLU 55 2HB GLU 55 15.573 -5.794 -4.036 421 2HB GLU 55 1HB GLU 55 14.784 -6.066 -2.482 422 1HG GLU 55 2HG GLU 55 14.642 -8.413 -2.843 423 2HG GLU 55 1HG GLU 55 15.008 -8.249 -4.560 424 H GLU 56 H GLU 56 13.901 -3.929 -5.301 425 HA GLU 56 HA GLU 56 13.030 -2.176 -3.233 426 1HB GLU 56 2HB GLU 56 13.608 -1.735 -6.165 427 2HB GLU 56 1HB GLU 56 13.126 -0.432 -5.079 428 1HG GLU 56 2HG GLU 56 15.521 -2.246 -4.649 429 2HG GLU 56 1HG GLU 56 15.602 -0.610 -5.299 430 H LEU 57 H LEU 57 11.551 -3.142 -6.344 431 HA LEU 57 HA LEU 57 9.183 -1.624 -6.001 432 1HB LEU 57 2HB LEU 57 8.237 -3.036 -7.763 433 2HB LEU 57 1HB LEU 57 9.803 -2.393 -8.188 434 HG LEU 57 HG LEU 57 10.587 -4.785 -7.251 435 1HD1 LEU 57 1HD1 LEU 57 8.552 -5.792 -6.663 436 2HD1 LEU 57 2HD1 LEU 57 8.797 -6.387 -8.304 437 3HD1 LEU 57 3HD1 LEU 57 7.687 -5.050 -8.008 438 1HD2 LEU 57 1HD2 LEU 57 10.551 -5.539 -9.610 439 2HD2 LEU 57 2HD2 LEU 57 11.036 -3.848 -9.493 440 3HD2 LEU 57 3HD2 LEU 57 9.398 -4.262 -9.995 441 H GLN 58 H GLN 58 10.094 -4.886 -4.988 442 HA GLN 58 HA GLN 58 7.539 -5.864 -4.323 443 1HB GLN 58 2HB GLN 58 9.686 -7.202 -4.388 444 2HB GLN 58 1HB GLN 58 10.084 -6.501 -2.820 445 1HG GLN 58 2HG GLN 58 9.023 -8.602 -2.366 446 2HG GLN 58 1HG GLN 58 7.832 -7.356 -1.996 447 1HE2 GLN 58 1HE2 GLN 58 5.920 -7.248 -3.321 448 2HE2 GLN 58 2HE2 GLN 58 5.585 -8.388 -4.532 449 H GLU 59 H GLU 59 9.815 -3.848 -2.494 450 HA GLU 59 HA GLU 59 8.455 -3.903 -0.006 451 1HB GLU 59 2HB GLU 59 10.272 -1.819 -1.236 452 2HB GLU 59 1HB GLU 59 9.652 -1.718 0.412 453 1HG GLU 59 2HG GLU 59 10.829 -3.634 1.108 454 2HG GLU 59 1HG GLU 59 11.065 -4.203 -0.545 455 H MET 60 H MET 60 8.158 -1.800 -2.852 456 HA MET 60 HA MET 60 6.266 0.006 -1.715 457 1HB MET 60 2HB MET 60 6.566 -0.668 -4.652 458 2HB MET 60 1HB MET 60 5.894 0.806 -3.957 459 1HG MET 60 2HG MET 60 8.768 -0.119 -3.669 460 2HG MET 60 1HG MET 60 8.210 1.165 -4.739 461 1HE MET 60 1HE MET 60 10.539 1.778 -2.457 462 2HE MET 60 2HE MET 60 9.857 0.265 -1.870 463 3HE MET 60 3HE MET 60 9.895 1.674 -0.812 464 H ILE 61 H ILE 61 6.024 -2.992 -3.537 465 HA ILE 61 HA ILE 61 3.217 -2.998 -3.939 466 HB ILE 61 HB ILE 61 5.188 -5.291 -3.755 467 1HG1 ILE 61 2HG1 ILE 61 3.845 -4.297 -6.248 468 2HG1 ILE 61 1HG1 ILE 61 5.229 -3.411 -5.609 469 1HG2 ILE 61 1HG2 ILE 61 3.497 -6.728 -4.611 470 2HG2 ILE 61 2HG2 ILE 61 2.424 -5.377 -4.980 471 3HG2 ILE 61 3HG2 ILE 61 2.713 -5.844 -3.304 472 1HD1 ILE 61 1HD1 ILE 61 5.547 -5.432 -7.318 473 2HD1 ILE 61 2HD1 ILE 61 5.465 -6.378 -5.834 474 3HD1 ILE 61 3HD1 ILE 61 6.701 -5.138 -6.019 475 H ASP 62 H ASP 62 5.259 -4.525 -1.442 476 HA ASP 62 HA ASP 62 3.247 -5.765 0.048 477 1HB ASP 62 2HB ASP 62 5.910 -5.667 0.310 478 2HB ASP 62 1HB ASP 62 5.479 -4.489 1.550 479 H GLU 63 H GLU 63 4.374 -2.415 0.092 480 HA GLU 63 HA GLU 63 2.942 -1.584 2.403 481 1HB GLU 63 2HB GLU 63 4.245 -0.175 0.102 482 2HB GLU 63 1HB GLU 63 3.197 0.734 1.192 483 1HG GLU 63 2HG GLU 63 5.302 -1.067 2.350 484 2HG GLU 63 1HG GLU 63 5.772 0.512 1.723 485 H VAL 64 H VAL 64 2.156 -1.475 -1.077 486 HA VAL 64 HA VAL 64 -0.408 -0.220 -0.595 487 HB VAL 64 HB VAL 64 0.841 0.241 -2.667 488 1HG1 VAL 64 1HG1 VAL 64 0.898 -1.518 -4.436 489 2HG1 VAL 64 2HG1 VAL 64 0.297 -2.683 -3.259 490 3HG1 VAL 64 3HG1 VAL 64 1.877 -1.935 -3.031 491 1HG2 VAL 64 1HG2 VAL 64 -1.590 -1.245 -3.581 492 2HG2 VAL 64 2HG2 VAL 64 -1.062 0.390 -3.976 493 3HG2 VAL 64 3HG2 VAL 64 -1.801 0.057 -2.411 494 H ASP 65 H ASP 65 0.756 -3.510 -1.134 495 HA ASP 65 HA ASP 65 -1.803 -4.680 -1.626 496 1HB ASP 65 2HB ASP 65 0.835 -5.577 -1.708 497 2HB ASP 65 1HB ASP 65 0.120 -6.480 -0.378 498 H GLU 66 H GLU 66 -3.391 -4.608 -0.194 499 HA GLU 66 HA GLU 66 -3.020 -4.242 2.611 500 1HB GLU 66 2HB GLU 66 -5.518 -5.271 1.248 501 2HB GLU 66 1HB GLU 66 -5.407 -4.458 2.809 502 1HG GLU 66 2HG GLU 66 -4.458 -2.450 1.574 503 2HG GLU 66 1HG GLU 66 -4.895 -3.267 0.073 504 H ASP 67 H ASP 67 -3.971 -7.049 0.641 505 HA ASP 67 HA ASP 67 -3.843 -8.790 2.983 506 1HB ASP 67 2HB ASP 67 -4.792 -10.506 1.589 507 2HB ASP 67 1HB ASP 67 -5.694 -9.018 1.325 508 H GLY 68 H GLY 68 -2.004 -8.123 0.056 509 1HA GLY 68 2HA GLY 68 0.223 -8.612 -0.385 510 2HA GLY 68 1HA GLY 68 0.305 -9.473 1.145 511 H SER 69 H SER 69 -1.835 -9.958 -1.655 512 HA SER 69 HA SER 69 -1.448 -12.816 -1.601 513 1HB SER 69 2HB SER 69 -2.774 -12.633 -3.828 514 2HB SER 69 1HB SER 69 -3.589 -12.225 -2.324 515 HG SER 69 HG SER 69 -3.824 -10.280 -3.072 516 H GLY 70 H GLY 70 0.274 -10.243 -3.081 517 1HA GLY 70 2HA GLY 70 2.286 -10.469 -4.278 518 2HA GLY 70 1HA GLY 70 1.876 -12.150 -4.615 519 H THR 71 H THR 71 -0.616 -9.807 -5.076 520 HA THR 71 HA THR 71 -0.083 -9.536 -7.950 521 HB THR 71 HB THR 71 -2.353 -10.212 -8.540 522 HG1 THR 71 HG1 THR 71 -3.774 -10.126 -7.017 523 1HG2 THR 71 1HG2 THR 71 -2.204 -12.613 -8.016 524 2HG2 THR 71 2HG2 THR 71 -1.017 -12.267 -6.757 525 3HG2 THR 71 3HG2 THR 71 -0.621 -11.967 -8.449 526 H VAL 72 H VAL 72 -0.514 -7.514 -8.644 527 HA VAL 72 HA VAL 72 -1.748 -5.655 -6.738 528 HB VAL 72 HB VAL 72 -0.575 -4.897 -9.408 529 1HG1 VAL 72 1HG1 VAL 72 -1.946 -3.258 -8.100 530 2HG1 VAL 72 2HG1 VAL 72 -0.275 -2.744 -8.329 531 3HG1 VAL 72 3HG1 VAL 72 -0.788 -3.408 -6.778 532 1HG2 VAL 72 1HG2 VAL 72 0.859 -5.312 -6.767 533 2HG2 VAL 72 2HG2 VAL 72 1.539 -4.425 -8.132 534 3HG2 VAL 72 3HG2 VAL 72 1.182 -6.146 -8.289 535 H ASP 73 H ASP 73 -3.823 -5.228 -6.858 536 HA ASP 73 HA ASP 73 -5.373 -5.829 -9.247 537 1HB ASP 73 2HB ASP 73 -6.046 -4.814 -6.485 538 2HB ASP 73 1HB ASP 73 -7.237 -4.756 -7.784 539 H PHE 74 H PHE 74 -6.891 -4.048 -10.100 540 HA PHE 74 HA PHE 74 -5.335 -1.877 -10.989 541 1HB PHE 74 2HB PHE 74 -7.459 -2.785 -12.074 542 2HB PHE 74 1HB PHE 74 -8.349 -1.803 -10.907 543 HD1 PHE 74 HD1 PHE 74 -5.136 -1.189 -12.724 544 HD2 PHE 74 HD2 PHE 74 -9.196 0.055 -12.074 545 HE1 PHE 74 HE1 PHE 74 -4.756 0.805 -14.140 546 HE2 PHE 74 HE2 PHE 74 -8.808 2.058 -13.493 547 HZ PHE 74 HZ PHE 74 -6.592 2.426 -14.522 548 H ASP 75 H ASP 75 -7.394 -2.242 -8.175 549 HA ASP 75 HA ASP 75 -7.549 0.539 -7.501 550 1HB ASP 75 2HB ASP 75 -7.876 -1.957 -5.811 551 2HB ASP 75 1HB ASP 75 -8.181 -0.321 -5.228 552 H GLU 76 H GLU 76 -5.449 -2.164 -6.546 553 HA GLU 76 HA GLU 76 -3.808 -0.645 -4.749 554 1HB GLU 76 2HB GLU 76 -3.159 -3.223 -6.208 555 2HB GLU 76 1HB GLU 76 -2.309 -2.578 -4.805 556 1HG GLU 76 2HG GLU 76 -4.259 -2.857 -3.406 557 2HG GLU 76 1HG GLU 76 -5.262 -3.265 -4.796 558 H PHE 77 H PHE 77 -3.789 -1.326 -8.186 559 HA PHE 77 HA PHE 77 -1.130 -0.592 -8.793 560 1HB PHE 77 2HB PHE 77 -3.097 -1.703 -10.236 561 2HB PHE 77 1HB PHE 77 -3.309 -0.039 -10.755 562 HD1 PHE 77 HD1 PHE 77 -2.753 -0.945 -13.024 563 HD2 PHE 77 HD2 PHE 77 0.107 -0.915 -9.809 564 HE1 PHE 77 HE1 PHE 77 -0.906 -1.216 -14.648 565 HE2 PHE 77 HE2 PHE 77 1.943 -1.174 -11.445 566 HZ PHE 77 HZ PHE 77 1.436 -1.330 -13.866 567 H LEU 78 H LEU 78 -4.173 1.249 -8.945 568 HA LEU 78 HA LEU 78 -2.913 3.727 -9.652 569 1HB LEU 78 2HB LEU 78 -5.662 2.898 -8.820 570 2HB LEU 78 1HB LEU 78 -5.239 4.600 -8.777 571 HG LEU 78 HG LEU 78 -5.002 4.716 -11.120 572 1HD1 LEU 78 1HD1 LEU 78 -4.763 2.819 -12.586 573 2HD1 LEU 78 2HD1 LEU 78 -5.097 1.692 -11.271 574 3HD1 LEU 78 3HD1 LEU 78 -3.598 2.623 -11.277 575 1HD2 LEU 78 1HD2 LEU 78 -7.144 4.196 -11.828 576 2HD2 LEU 78 2HD2 LEU 78 -7.361 4.062 -10.083 577 3HD2 LEU 78 3HD2 LEU 78 -7.128 2.611 -11.057 578 H VAL 79 H VAL 79 -3.896 2.188 -6.637 579 HA VAL 79 HA VAL 79 -3.643 4.432 -4.925 580 HB VAL 79 HB VAL 79 -3.775 1.477 -4.590 581 1HG1 VAL 79 1HG1 VAL 79 -1.832 2.028 -3.194 582 2HG1 VAL 79 2HG1 VAL 79 -3.228 1.631 -2.188 583 3HG1 VAL 79 3HG1 VAL 79 -2.749 3.315 -2.408 584 1HG2 VAL 79 1HG2 VAL 79 -5.701 3.173 -4.535 585 2HG2 VAL 79 2HG2 VAL 79 -5.056 3.689 -2.976 586 3HG2 VAL 79 3HG2 VAL 79 -5.619 2.031 -3.191 587 H MET 80 H MET 80 -1.351 1.893 -5.888 588 HA MET 80 HA MET 80 0.856 2.481 -4.348 589 1HB MET 80 2HB MET 80 0.366 0.911 -6.599 590 2HB MET 80 1HB MET 80 1.641 2.015 -7.114 591 1HG MET 80 2HG MET 80 1.947 0.811 -4.411 592 2HG MET 80 1HG MET 80 2.152 -0.276 -5.783 593 1HE MET 80 1HE MET 80 4.949 0.186 -7.473 594 2HE MET 80 2HE MET 80 4.165 1.627 -8.116 595 3HE MET 80 3HE MET 80 3.197 0.212 -7.715 596 H MET 81 H MET 81 -0.422 4.322 -7.060 597 HA MET 81 HA MET 81 1.865 5.908 -7.610 598 1HB MET 81 2HB MET 81 -0.127 5.734 -9.105 599 2HB MET 81 1HB MET 81 -1.046 6.676 -7.933 600 1HG MET 81 2HG MET 81 0.508 8.558 -8.188 601 2HG MET 81 1HG MET 81 1.488 7.615 -9.312 602 1HE MET 81 1HE MET 81 -2.510 7.283 -9.339 603 2HE MET 81 2HE MET 81 -2.869 8.900 -9.933 604 3HE MET 81 3HE MET 81 -1.993 8.702 -8.419 605 H VAL 82 H VAL 82 -1.059 6.636 -5.670 606 HA VAL 82 HA VAL 82 -0.020 9.082 -4.622 607 HB VAL 82 HB VAL 82 -1.892 8.950 -2.995 608 1HG1 VAL 82 1HG1 VAL 82 -2.356 9.946 -5.136 609 2HG1 VAL 82 2HG1 VAL 82 -3.718 8.896 -4.743 610 3HG1 VAL 82 3HG1 VAL 82 -2.501 8.363 -5.902 611 1HG2 VAL 82 1HG2 VAL 82 -2.574 6.341 -4.381 612 2HG2 VAL 82 2HG2 VAL 82 -3.435 7.092 -3.036 613 3HG2 VAL 82 3HG2 VAL 82 -1.819 6.434 -2.789 614 H ARG 83 H ARG 83 0.144 5.729 -3.603 615 HA ARG 83 HA ARG 83 0.895 6.011 -0.922 616 1HB ARG 83 2HB ARG 83 1.627 3.949 -3.001 617 2HB ARG 83 1HB ARG 83 2.193 3.841 -1.335 618 1HG ARG 83 2HG ARG 83 -0.552 4.400 -1.134 619 2HG ARG 83 1HG ARG 83 -0.423 3.207 -2.425 620 1HD ARG 83 2HD ARG 83 -0.426 1.734 -0.678 621 2HD ARG 83 1HD ARG 83 1.290 2.119 -0.641 622 HE ARG 83 HE ARG 83 0.947 3.259 1.356 623 1HH1 ARG 83 2HH1 ARG 83 -2.113 2.618 -0.205 624 2HH1 ARG 83 1HH1 ARG 83 -3.055 3.139 1.148 625 1HH2 ARG 83 1HH2 ARG 83 -0.312 3.941 3.117 626 2HH2 ARG 83 2HH2 ARG 83 -2.040 3.886 3.023 627 H CYS 84 H CYS 84 2.766 6.403 -3.887 628 HA CYS 84 HA CYS 84 5.371 6.393 -2.847 629 1HB CYS 84 2HB CYS 84 4.512 6.607 -5.322 630 2HB CYS 84 1HB CYS 84 4.598 8.338 -4.998 631 HG CYS 84 HG CYS 84 6.938 7.161 -5.893 632 H MET 85 H MET 85 2.944 8.968 -3.046 633 HA MET 85 HA MET 85 4.668 10.992 -1.921 634 1HB MET 85 2HB MET 85 2.418 11.168 -3.381 635 2HB MET 85 1HB MET 85 1.706 11.275 -1.770 636 1HG MET 85 2HG MET 85 4.125 12.938 -2.356 637 2HG MET 85 1HG MET 85 2.578 13.453 -3.028 638 1HE MET 85 1HE MET 85 3.312 15.638 -1.537 639 2HE MET 85 2HE MET 85 2.078 15.865 -0.301 640 3HE MET 85 3HE MET 85 1.610 15.327 -1.911 641 H LYS 86 H LYS 86 1.836 9.153 -0.762 642 HA LYS 86 HA LYS 86 1.206 8.443 1.319 643 1HB LYS 86 2HB LYS 86 3.955 8.172 1.327 644 2HB LYS 86 1HB LYS 86 3.651 9.143 2.768 645 1HG LYS 86 2HG LYS 86 2.492 7.467 3.822 646 2HG LYS 86 1HG LYS 86 1.822 6.843 2.315 647 1HD LYS 86 2HD LYS 86 3.619 5.479 1.913 648 2HD LYS 86 1HD LYS 86 4.767 6.586 2.669 649 1HE LYS 86 2HE LYS 86 2.727 5.302 4.433 650 2HE LYS 86 1HE LYS 86 4.044 4.290 3.844 651 1HZ LYS 86 1HZ LYS 86 4.409 6.905 5.205 652 2HZ LYS 86 2HZ LYS 86 5.635 5.824 4.736 653 3HZ LYS 86 3HZ LYS 86 4.546 5.396 5.968 654 H ASP 87 H ASP 87 0.738 9.179 3.520 655 HA ASP 87 HA ASP 87 0.660 12.137 3.670 656 1HB ASP 87 2HB ASP 87 -1.481 10.417 3.620 657 2HB ASP 87 1HB ASP 87 -1.238 10.640 5.352 658 H ASP 88 H ASP 88 2.888 10.565 4.588 659 HA ASP 88 HA ASP 88 2.632 10.635 7.522 660 1HB ASP 88 2HB ASP 88 3.779 8.746 5.922 661 2HB ASP 88 1HB ASP 88 5.179 9.733 6.342 662 H SER 89 HN SER 89 4.608 11.898 4.850 663 HA SER 89 HA SER 89 6.421 13.400 6.425 664 1HB SER 89 2HB SER 89 5.504 13.990 3.600 665 2HB SER 89 1HB SER 89 6.969 14.587 4.369 666 HG SER 89 HG SER 89 6.410 12.133 3.259 Start of MODEL 9 1 1H MET 1 1H MET 1 -7.841 10.051 9.295 2 2H MET 1 2H MET 1 -7.880 8.519 8.561 3 3H MET 1 3H MET 1 -7.429 9.886 7.657 4 HA MET 1 HA MET 1 -5.495 10.171 9.189 5 1HB MET 1 2HB MET 1 -6.702 7.624 10.212 6 2HB MET 1 1HB MET 1 -4.947 7.791 10.227 7 1HG MET 1 2HG MET 1 -5.128 9.867 11.516 8 2HG MET 1 1HG MET 1 -6.889 9.771 11.455 9 1HE MET 1 1HE MET 1 -5.453 10.367 13.657 10 2HE MET 1 2HE MET 1 -4.604 9.167 14.626 11 3HE MET 1 3HE MET 1 -6.317 9.465 14.910 12 H ASN 2 H ASN 2 -6.546 7.042 7.791 13 HA ASN 2 HA ASN 2 -4.209 7.173 5.974 14 1HB ASN 2 2HB ASN 2 -4.354 4.673 5.889 15 2HB ASN 2 1HB ASN 2 -3.938 5.305 7.481 16 1HD2 ASN 2 1HD2 ASN 2 -6.505 3.724 5.611 17 2HD2 ASN 2 2HD2 ASN 2 -7.482 3.348 6.948 18 H ASP 3 H ASP 3 -6.904 8.319 5.538 19 HA ASP 3 HA ASP 3 -7.835 6.628 3.300 20 1HB ASP 3 2HB ASP 3 -9.371 7.533 5.289 21 2HB ASP 3 1HB ASP 3 -9.447 8.951 4.244 22 H ILE 4 H ILE 4 -5.496 8.451 3.229 23 HA ILE 4 HA ILE 4 -6.355 10.700 1.595 24 HB ILE 4 HB ILE 4 -3.967 11.269 1.454 25 1HG1 ILE 4 2HG1 ILE 4 -2.597 9.682 3.178 26 2HG1 ILE 4 1HG1 ILE 4 -3.697 8.492 2.485 27 1HG2 ILE 4 1HG2 ILE 4 -5.084 10.580 4.176 28 2HG2 ILE 4 2HG2 ILE 4 -5.059 12.150 3.372 29 3HG2 ILE 4 3HG2 ILE 4 -3.560 11.444 3.977 30 1HD1 ILE 4 1HD1 ILE 4 -2.366 10.364 0.588 31 2HD1 ILE 4 2HD1 ILE 4 -2.781 8.664 0.385 32 3HD1 ILE 4 3HD1 ILE 4 -1.359 9.118 1.322 33 H TYR 5 H TYR 5 -4.970 7.511 1.170 34 HA TYR 5 HA TYR 5 -4.201 7.824 -1.573 35 1HB TYR 5 2HB TYR 5 -4.925 5.242 -0.160 36 2HB TYR 5 1HB TYR 5 -3.948 5.420 -1.616 37 HD1 TYR 5 HD1 TYR 5 -1.774 6.834 -1.420 38 HD2 TYR 5 HD2 TYR 5 -3.915 5.268 1.959 39 HE1 TYR 5 HE1 TYR 5 0.249 7.094 -0.018 40 HE2 TYR 5 HE2 TYR 5 -1.890 5.529 3.362 41 HH TYR 5 HH TYR 5 0.264 7.161 3.191 42 H LYS 6 H LYS 6 -7.105 6.735 0.117 43 HA LYS 6 HA LYS 6 -8.512 5.919 -2.259 44 1HB LYS 6 2HB LYS 6 -9.163 6.178 0.637 45 2HB LYS 6 1HB LYS 6 -10.507 6.199 -0.506 46 1HG LYS 6 2HG LYS 6 -10.020 4.048 -1.317 47 2HG LYS 6 1HG LYS 6 -8.364 4.092 -0.711 48 1HD LYS 6 2HD LYS 6 -10.492 4.362 1.340 49 2HD LYS 6 1HD LYS 6 -10.374 2.785 0.560 50 1HE LYS 6 2HE LYS 6 -7.845 4.093 1.483 51 2HE LYS 6 1HE LYS 6 -8.900 3.369 2.698 52 1HZ LYS 6 1HZ LYS 6 -7.294 1.768 1.894 53 2HZ LYS 6 2HZ LYS 6 -7.812 2.002 0.293 54 3HZ LYS 6 3HZ LYS 6 -8.857 1.298 1.434 55 H ALA 7 H ALA 7 -8.179 8.891 -0.422 56 HA ALA 7 HA ALA 7 -10.452 10.265 -1.403 57 1HB ALA 7 1HB ALA 7 -7.815 11.528 -0.638 58 2HB ALA 7 2HB ALA 7 -8.997 10.967 0.544 59 3HB ALA 7 3HB ALA 7 -9.418 12.261 -0.579 60 H ALA 8 H ALA 8 -7.288 9.646 -2.789 61 HA ALA 8 HA ALA 8 -7.587 11.627 -4.890 62 1HB ALA 8 1HB ALA 8 -5.469 10.778 -5.726 63 2HB ALA 8 2HB ALA 8 -5.567 9.390 -4.642 64 3HB ALA 8 3HB ALA 8 -5.354 11.012 -3.982 65 H VAL 9 H VAL 9 -7.738 8.072 -4.624 66 HA VAL 9 HA VAL 9 -8.189 7.597 -7.387 67 HB VAL 9 HB VAL 9 -7.449 5.857 -5.732 68 1HG1 VAL 9 1HG1 VAL 9 -9.050 6.380 -3.939 69 2HG1 VAL 9 2HG1 VAL 9 -9.205 4.697 -4.439 70 3HG1 VAL 9 3HG1 VAL 9 -10.388 5.890 -4.976 71 1HG2 VAL 9 1HG2 VAL 9 -8.452 5.404 -8.037 72 2HG2 VAL 9 2HG2 VAL 9 -9.967 5.051 -7.207 73 3HG2 VAL 9 3HG2 VAL 9 -8.538 4.068 -6.888 74 H GLU 10 H GLU 10 -10.306 8.655 -4.828 75 HA GLU 10 HA GLU 10 -12.737 7.930 -6.223 76 1HB GLU 10 2HB GLU 10 -13.899 9.014 -4.403 77 2HB GLU 10 1HB GLU 10 -12.597 8.030 -3.735 78 1HG GLU 10 2HG GLU 10 -11.485 9.831 -2.924 79 2HG GLU 10 1HG GLU 10 -11.786 10.787 -4.373 80 H GLN 11 H GLN 11 -10.517 10.584 -6.310 81 HA GLN 11 HA GLN 11 -12.442 12.078 -7.983 82 1HB GLN 11 2HB GLN 11 -11.716 14.185 -7.059 83 2HB GLN 11 1HB GLN 11 -12.212 13.140 -5.730 84 1HG GLN 11 2HG GLN 11 -9.715 12.466 -5.587 85 2HG GLN 11 1HG GLN 11 -9.413 13.887 -6.584 86 1HE2 GLN 11 1HE2 GLN 11 -8.391 13.791 -3.940 87 2HE2 GLN 11 2HE2 GLN 11 -9.230 14.917 -2.984 88 H LEU 12 H LEU 12 -10.254 10.224 -8.695 89 HA LEU 12 HA LEU 12 -8.094 11.855 -9.728 90 1HB LEU 12 2HB LEU 12 -7.610 9.642 -11.021 91 2HB LEU 12 1HB LEU 12 -7.285 9.757 -9.308 92 HG LEU 12 HG LEU 12 -9.266 8.477 -8.792 93 1HD1 LEU 12 1HD1 LEU 12 -10.890 9.166 -10.363 94 2HD1 LEU 12 2HD1 LEU 12 -10.552 7.494 -10.811 95 3HD1 LEU 12 3HD1 LEU 12 -9.835 8.815 -11.734 96 1HD2 LEU 12 1HD2 LEU 12 -8.723 6.364 -10.079 97 2HD2 LEU 12 2HD2 LEU 12 -7.336 7.135 -9.312 98 3HD2 LEU 12 3HD2 LEU 12 -7.603 7.324 -11.045 99 H THR 13 H THR 13 -7.499 11.424 -12.159 100 HA THR 13 HA THR 13 -9.819 12.330 -13.722 101 HB THR 13 HB THR 13 -7.713 12.451 -15.454 102 HG1 THR 13 HG1 THR 13 -6.090 11.964 -14.143 103 1HG2 THR 13 1HG2 THR 13 -7.515 14.882 -14.352 104 2HG2 THR 13 2HG2 THR 13 -8.993 14.346 -13.551 105 3HG2 THR 13 3HG2 THR 13 -8.912 14.394 -15.313 106 H ASP 14 H ASP 14 -9.944 11.556 -15.998 107 HA ASP 14 HA ASP 14 -10.159 8.702 -16.073 108 1HB ASP 14 2HB ASP 14 -10.579 10.914 -18.053 109 2HB ASP 14 1HB ASP 14 -10.489 9.249 -18.624 110 H GLU 15 H GLU 15 -7.803 11.068 -17.177 111 HA GLU 15 HA GLU 15 -6.276 9.324 -18.845 112 1HB GLU 15 2HB GLU 15 -5.669 11.935 -17.465 113 2HB GLU 15 1HB GLU 15 -4.428 11.056 -18.358 114 1HG GLU 15 2HG GLU 15 -5.300 11.644 -20.361 115 2HG GLU 15 1HG GLU 15 -6.945 11.275 -19.843 116 H GLN 16 H GLN 16 -6.317 9.998 -15.393 117 HA GLN 16 HA GLN 16 -3.832 8.740 -14.750 118 1HB GLN 16 2HB GLN 16 -6.026 9.986 -13.310 119 2HB GLN 16 1HB GLN 16 -5.502 8.504 -12.512 120 1HG GLN 16 2HG GLN 16 -3.319 9.288 -12.194 121 2HG GLN 16 1HG GLN 16 -3.462 10.487 -13.480 122 1HE2 GLN 16 1HE2 GLN 16 -5.427 9.771 -10.526 123 2HE2 GLN 16 2HE2 GLN 16 -5.429 11.374 -9.972 124 H LYS 17 H LYS 17 -7.229 7.693 -14.689 125 HA LYS 17 HA LYS 17 -6.764 5.058 -13.752 126 1HB LYS 17 2HB LYS 17 -9.017 6.135 -15.471 127 2HB LYS 17 1HB LYS 17 -9.011 4.556 -14.685 128 1HG LYS 17 2HG LYS 17 -9.186 5.470 -12.543 129 2HG LYS 17 1HG LYS 17 -8.518 7.024 -13.044 130 1HD LYS 17 2HD LYS 17 -10.752 7.604 -12.915 131 2HD LYS 17 1HD LYS 17 -10.693 7.054 -14.588 132 1HE LYS 17 2HE LYS 17 -11.108 4.709 -13.143 133 2HE LYS 17 1HE LYS 17 -12.107 5.897 -12.306 134 1HZ LYS 17 1HZ LYS 17 -13.122 6.493 -14.405 135 2HZ LYS 17 2HZ LYS 17 -13.301 4.827 -14.123 136 3HZ LYS 17 3HZ LYS 17 -12.140 5.383 -15.233 137 H ASN 18 H ASN 18 -7.095 6.423 -17.026 138 HA ASN 18 HA ASN 18 -6.804 3.969 -18.429 139 1HB ASN 18 2HB ASN 18 -6.371 6.848 -19.234 140 2HB ASN 18 1HB ASN 18 -6.108 5.512 -20.354 141 1HD2 ASN 18 1HD2 ASN 18 -7.943 6.143 -21.702 142 2HD2 ASN 18 2HD2 ASN 18 -9.541 5.927 -21.171 143 H GLU 19 H GLU 19 -4.477 6.294 -17.166 144 HA GLU 19 HA GLU 19 -2.165 5.526 -18.530 145 1HB GLU 19 2HB GLU 19 -2.374 7.457 -16.921 146 2HB GLU 19 1HB GLU 19 -2.282 6.289 -15.603 147 1HG GLU 19 2HG GLU 19 -0.041 6.765 -15.781 148 2HG GLU 19 1HG GLU 19 -0.131 5.494 -16.999 149 H PHE 20 H PHE 20 -3.489 4.241 -15.472 150 HA PHE 20 HA PHE 20 -1.499 2.129 -15.374 151 1HB PHE 20 2HB PHE 20 -3.799 2.956 -13.633 152 2HB PHE 20 1HB PHE 20 -3.050 1.376 -13.423 153 HD1 PHE 20 HD1 PHE 20 -2.589 5.009 -13.126 154 HD2 PHE 20 HD2 PHE 20 -0.708 1.170 -12.699 155 HE1 PHE 20 HE1 PHE 20 -0.754 6.051 -11.828 156 HE2 PHE 20 HE2 PHE 20 1.117 2.199 -11.393 157 HZ PHE 20 HZ PHE 20 1.104 4.647 -10.960 158 H LYS 21 H LYS 21 -5.025 2.371 -15.909 159 HA LYS 21 HA LYS 21 -5.644 -0.332 -16.077 160 1HB LYS 21 2HB LYS 21 -7.251 1.636 -16.141 161 2HB LYS 21 1HB LYS 21 -6.893 1.754 -17.859 162 1HG LYS 21 2HG LYS 21 -8.867 0.396 -17.651 163 2HG LYS 21 1HG LYS 21 -7.541 -0.694 -18.056 164 1HD LYS 21 2HD LYS 21 -7.282 -1.287 -15.683 165 2HD LYS 21 1HD LYS 21 -8.581 -0.173 -15.254 166 1HE LYS 21 2HE LYS 21 -9.781 -2.150 -15.392 167 2HE LYS 21 1HE LYS 21 -9.932 -1.582 -17.054 168 1HZ LYS 21 1HZ LYS 21 -8.059 -2.956 -17.676 169 2HZ LYS 21 2HZ LYS 21 -9.257 -3.909 -16.941 170 3HZ LYS 21 3HZ LYS 21 -7.862 -3.475 -16.073 171 H ALA 22 H ALA 22 -4.145 1.737 -18.521 172 HA ALA 22 HA ALA 22 -4.433 0.034 -20.759 173 1HB ALA 22 1HB ALA 22 -2.423 1.221 -21.646 174 2HB ALA 22 2HB ALA 22 -2.221 1.987 -20.071 175 3HB ALA 22 3HB ALA 22 -3.656 2.326 -21.040 176 H ALA 23 H ALA 23 -1.705 0.416 -18.501 177 HA ALA 23 HA ALA 23 -0.194 -1.791 -19.461 178 1HB ALA 23 1HB ALA 23 0.712 -1.583 -16.951 179 2HB ALA 23 2HB ALA 23 -0.126 -0.035 -17.047 180 3HB ALA 23 3HB ALA 23 1.158 -0.417 -18.197 181 H PHE 24 H PHE 24 -2.616 -1.362 -16.938 182 HA PHE 24 HA PHE 24 -2.448 -3.811 -15.617 183 1HB PHE 24 2HB PHE 24 -3.947 -1.757 -15.116 184 2HB PHE 24 1HB PHE 24 -5.092 -2.502 -16.231 185 HD1 PHE 24 HD1 PHE 24 -5.918 -4.851 -15.771 186 HD2 PHE 24 HD2 PHE 24 -3.651 -2.592 -12.912 187 HE1 PHE 24 HE1 PHE 24 -6.666 -6.377 -13.968 188 HE2 PHE 24 HE2 PHE 24 -4.398 -4.111 -11.112 189 HZ PHE 24 HZ PHE 24 -5.909 -5.998 -11.634 190 H ASP 25 H ASP 25 -4.351 -2.928 -18.500 191 HA ASP 25 HA ASP 25 -5.641 -5.393 -18.883 192 1HB ASP 25 2HB ASP 25 -6.085 -3.162 -20.065 193 2HB ASP 25 1HB ASP 25 -4.777 -3.614 -21.157 194 H ILE 26 H ILE 26 -2.528 -4.241 -20.203 195 HA ILE 26 HA ILE 26 -2.077 -6.634 -21.721 196 HB ILE 26 HB ILE 26 0.245 -5.761 -22.007 197 1HG1 ILE 26 2HG1 ILE 26 -0.773 -3.442 -20.331 198 2HG1 ILE 26 1HG1 ILE 26 0.391 -4.641 -19.773 199 1HG2 ILE 26 1HG2 ILE 26 -0.417 -3.922 -23.409 200 2HG2 ILE 26 2HG2 ILE 26 -1.863 -3.630 -22.441 201 3HG2 ILE 26 3HG2 ILE 26 -1.742 -5.086 -23.430 202 1HD1 ILE 26 1HD1 ILE 26 1.046 -2.274 -21.008 203 2HD1 ILE 26 2HD1 ILE 26 1.097 -3.414 -22.353 204 3HD1 ILE 26 3HD1 ILE 26 2.095 -3.689 -20.924 205 H PHE 27 H PHE 27 -1.011 -5.512 -18.519 206 HA PHE 27 HA PHE 27 0.787 -7.689 -18.078 207 1HB PHE 27 2HB PHE 27 -0.497 -5.681 -16.229 208 2HB PHE 27 1HB PHE 27 0.536 -6.979 -15.625 209 HD1 PHE 27 HD1 PHE 27 2.754 -7.297 -17.233 210 HD2 PHE 27 HD2 PHE 27 0.597 -3.647 -16.559 211 HE1 PHE 27 HE1 PHE 27 4.756 -5.991 -17.889 212 HE2 PHE 27 HE2 PHE 27 2.597 -2.341 -17.221 213 HZ PHE 27 HZ PHE 27 4.679 -3.512 -17.882 214 H ILE 28 H ILE 28 -2.676 -7.241 -17.492 215 HA ILE 28 HA ILE 28 -2.787 -9.861 -16.139 216 HB ILE 28 HB ILE 28 -5.054 -9.343 -15.511 217 1HG1 ILE 28 2HG1 ILE 28 -5.703 -6.811 -16.234 218 2HG1 ILE 28 1HG1 ILE 28 -4.777 -7.298 -17.653 219 1HG2 ILE 28 1HG2 ILE 28 -2.989 -8.171 -14.408 220 2HG2 ILE 28 2HG2 ILE 28 -4.617 -7.644 -13.982 221 3HG2 ILE 28 3HG2 ILE 28 -3.660 -6.711 -15.133 222 1HD1 ILE 28 1HD1 ILE 28 -6.293 -8.922 -18.262 223 2HD1 ILE 28 2HD1 ILE 28 -7.393 -7.809 -17.448 224 3HD1 ILE 28 3HD1 ILE 28 -6.791 -9.231 -16.598 225 H GLN 29 H GLN 29 -2.640 -8.984 -19.233 226 HA GLN 29 HA GLN 29 -4.875 -9.950 -20.572 227 1HB GLN 29 2HB GLN 29 -3.073 -8.831 -21.755 228 2HB GLN 29 1HB GLN 29 -1.955 -10.134 -21.355 229 1HG GLN 29 2HG GLN 29 -3.134 -11.695 -22.728 230 2HG GLN 29 1HG GLN 29 -4.502 -10.599 -22.920 231 1HE2 GLN 29 1HE2 GLN 29 -3.973 -8.470 -24.104 232 2HE2 GLN 29 2HE2 GLN 29 -2.800 -8.527 -25.329 233 H ASP 30 H ASP 30 -2.129 -11.734 -19.223 234 HA ASP 30 HA ASP 30 -3.198 -14.289 -20.168 235 1HB ASP 30 2HB ASP 30 -0.659 -13.504 -19.966 236 2HB ASP 30 1HB ASP 30 -0.845 -14.157 -18.339 237 H ALA 31 H ALA 31 -3.880 -12.337 -17.575 238 HA ALA 31 HA ALA 31 -4.191 -14.539 -15.654 239 1HB ALA 31 1HB ALA 31 -4.743 -11.608 -15.175 240 2HB ALA 31 2HB ALA 31 -3.152 -12.336 -14.946 241 3HB ALA 31 3HB ALA 31 -4.519 -12.879 -13.973 242 H GLU 32 H GLU 32 -6.183 -14.969 -14.666 243 HA GLU 32 HA GLU 32 -8.563 -13.937 -16.101 244 1HB GLU 32 2HB GLU 32 -9.610 -16.154 -15.823 245 2HB GLU 32 1HB GLU 32 -8.136 -16.257 -16.781 246 1HG GLU 32 2HG GLU 32 -7.108 -16.644 -14.296 247 2HG GLU 32 1HG GLU 32 -8.714 -17.336 -14.076 248 H ASP 33 H ASP 33 -7.494 -12.794 -13.745 249 HA ASP 33 HA ASP 33 -9.650 -13.419 -11.816 250 1HB ASP 33 2HB ASP 33 -7.222 -14.162 -11.189 251 2HB ASP 33 1HB ASP 33 -6.969 -12.443 -10.882 252 H GLY 34 H GLY 34 -7.274 -10.993 -12.883 253 1HA GLY 34 2HA GLY 34 -8.169 -8.784 -13.540 254 2HA GLY 34 1HA GLY 34 -9.187 -8.865 -12.106 255 H CYS 35 H CYS 35 -5.781 -9.801 -12.370 256 HA CYS 35 HA CYS 35 -4.871 -7.421 -10.939 257 1HB CYS 35 2HB CYS 35 -4.559 -10.210 -9.795 258 2HB CYS 35 1HB CYS 35 -3.743 -8.771 -9.189 259 HG CYS 35 HG CYS 35 -6.765 -9.386 -8.871 260 H ILE 36 H ILE 36 -2.714 -6.979 -11.323 261 HA ILE 36 HA ILE 36 -1.449 -8.549 -13.425 262 HB ILE 36 HB ILE 36 0.159 -6.811 -13.623 263 1HG1 ILE 36 2HG1 ILE 36 -0.335 -4.907 -11.655 264 2HG1 ILE 36 1HG1 ILE 36 -0.402 -6.434 -10.775 265 1HG2 ILE 36 1HG2 ILE 36 -1.301 -4.707 -13.579 266 2HG2 ILE 36 2HG2 ILE 36 -2.585 -5.740 -12.952 267 3HG2 ILE 36 3HG2 ILE 36 -1.894 -6.057 -14.544 268 1HD1 ILE 36 1HD1 ILE 36 1.920 -5.149 -11.281 269 2HD1 ILE 36 2HD1 ILE 36 1.815 -6.139 -12.739 270 3HD1 ILE 36 3HD1 ILE 36 1.814 -6.906 -11.150 271 H SER 37 H SER 37 1.065 -8.835 -13.108 272 HA SER 37 HA SER 37 1.346 -10.485 -10.706 273 1HB SER 37 2HB SER 37 1.981 -11.482 -12.855 274 2HB SER 37 1HB SER 37 3.150 -10.193 -13.122 275 HG SER 37 HG SER 37 3.356 -12.449 -11.629 276 H THR 38 H THR 38 2.040 -9.468 -8.931 277 HA THR 38 HA THR 38 3.425 -7.033 -8.790 278 HB THR 38 HB THR 38 4.027 -7.680 -6.481 279 HG1 THR 38 HG1 THR 38 4.268 -9.708 -6.094 280 1HG2 THR 38 1HG2 THR 38 1.254 -8.186 -7.513 281 2HG2 THR 38 2HG2 THR 38 1.857 -6.818 -6.577 282 3HG2 THR 38 3HG2 THR 38 1.608 -8.379 -5.796 283 H LYS 39 H LYS 39 4.576 -10.341 -9.092 284 HA LYS 39 HA LYS 39 7.344 -9.875 -8.646 285 1HB LYS 39 2HB LYS 39 6.107 -11.987 -10.435 286 2HB LYS 39 1HB LYS 39 7.711 -12.027 -9.704 287 1HG LYS 39 2HG LYS 39 6.895 -12.505 -7.595 288 2HG LYS 39 1HG LYS 39 5.360 -11.689 -7.892 289 1HD LYS 39 2HD LYS 39 4.778 -13.542 -9.505 290 2HD LYS 39 1HD LYS 39 6.226 -14.388 -8.961 291 1HE LYS 39 2HE LYS 39 4.331 -13.402 -6.871 292 2HE LYS 39 1HE LYS 39 3.852 -14.814 -7.812 293 1HZ LYS 39 1HZ LYS 39 6.376 -14.508 -6.274 294 2HZ LYS 39 2HZ LYS 39 5.973 -15.852 -7.233 295 3HZ LYS 39 3HZ LYS 39 5.056 -15.485 -5.851 296 H GLU 40 H GLU 40 5.246 -9.582 -11.455 297 HA GLU 40 HA GLU 40 7.524 -8.869 -13.181 298 1HB GLU 40 2HB GLU 40 4.601 -9.280 -13.869 299 2HB GLU 40 1HB GLU 40 5.893 -8.958 -15.025 300 1HG GLU 40 2HG GLU 40 5.964 -11.315 -13.127 301 2HG GLU 40 1HG GLU 40 5.246 -11.413 -14.734 302 H LEU 41 H LEU 41 6.222 -7.174 -10.942 303 HA LEU 41 HA LEU 41 4.931 -4.977 -12.225 304 1HB LEU 41 2HB LEU 41 4.621 -5.399 -9.852 305 2HB LEU 41 1HB LEU 41 6.328 -5.161 -9.556 306 HG LEU 41 HG LEU 41 6.104 -2.782 -10.163 307 1HD1 LEU 41 1HD1 LEU 41 3.669 -3.690 -11.340 308 2HD1 LEU 41 2HD1 LEU 41 4.352 -2.064 -11.373 309 3HD1 LEU 41 3HD1 LEU 41 3.248 -2.530 -10.078 310 1HD2 LEU 41 1HD2 LEU 41 5.491 -3.851 -7.823 311 2HD2 LEU 41 2HD2 LEU 41 3.864 -3.311 -8.237 312 3HD2 LEU 41 3HD2 LEU 41 5.180 -2.142 -8.125 313 H GLY 42 H GLY 42 8.234 -5.950 -11.985 314 1HA GLY 42 2HA GLY 42 9.587 -3.490 -12.038 315 2HA GLY 42 1HA GLY 42 10.185 -4.992 -12.739 316 H LYS 43 H LYS 43 8.079 -5.393 -14.631 317 HA LYS 43 HA LYS 43 9.006 -3.792 -16.806 318 1HB LYS 43 2HB LYS 43 6.573 -5.590 -16.600 319 2HB LYS 43 1HB LYS 43 7.186 -4.888 -18.096 320 1HG LYS 43 2HG LYS 43 8.930 -6.581 -16.298 321 2HG LYS 43 1HG LYS 43 7.928 -7.290 -17.565 322 1HD LYS 43 2HD LYS 43 9.106 -5.349 -19.008 323 2HD LYS 43 1HD LYS 43 10.369 -5.599 -17.803 324 1HE LYS 43 2HE LYS 43 11.003 -7.220 -19.312 325 2HE LYS 43 1HE LYS 43 9.855 -8.169 -18.368 326 1HZ LYS 43 1HZ LYS 43 9.426 -8.389 -20.727 327 2HZ LYS 43 2HZ LYS 43 9.254 -6.706 -20.885 328 3HZ LYS 43 3HZ LYS 43 8.131 -7.597 -19.971 329 H VAL 44 H VAL 44 6.443 -3.461 -14.486 330 HA VAL 44 HA VAL 44 4.976 -1.470 -16.021 331 HB VAL 44 HB VAL 44 4.553 -1.951 -13.089 332 1HG1 VAL 44 1HG1 VAL 44 2.294 -1.784 -14.955 333 2HG1 VAL 44 2HG1 VAL 44 3.339 -0.366 -14.986 334 3HG1 VAL 44 3HG1 VAL 44 2.597 -0.880 -13.472 335 1HG2 VAL 44 1HG2 VAL 44 2.903 -3.638 -14.816 336 2HG2 VAL 44 2HG2 VAL 44 3.776 -4.062 -13.346 337 3HG2 VAL 44 3HG2 VAL 44 4.608 -4.079 -14.898 338 H MET 45 H MET 45 6.918 -1.599 -13.035 339 HA MET 45 HA MET 45 6.844 1.092 -12.329 340 1HB MET 45 2HB MET 45 8.846 -1.095 -11.898 341 2HB MET 45 1HB MET 45 9.273 0.558 -11.455 342 1HG MET 45 2HG MET 45 7.190 0.696 -10.091 343 2HG MET 45 1HG MET 45 6.858 -0.992 -10.474 344 1HE MET 45 1HE MET 45 9.209 0.652 -7.121 345 2HE MET 45 2HE MET 45 7.489 0.654 -7.504 346 3HE MET 45 3HE MET 45 8.609 1.568 -8.510 347 H ARG 46 H ARG 46 9.033 -0.582 -14.579 348 HA ARG 46 HA ARG 46 10.632 1.707 -15.185 349 1HB ARG 46 2HB ARG 46 10.123 -0.705 -16.947 350 2HB ARG 46 1HB ARG 46 11.468 0.430 -17.073 351 1HG ARG 46 2HG ARG 46 11.173 -0.747 -14.393 352 2HG ARG 46 1HG ARG 46 11.523 -1.932 -15.650 353 1HD ARG 46 2HD ARG 46 13.378 -0.320 -16.409 354 2HD ARG 46 1HD ARG 46 13.136 0.495 -14.869 355 HE ARG 46 HE ARG 46 14.110 -1.332 -13.782 356 1HH1 ARG 46 2HH1 ARG 46 13.506 -2.066 -17.147 357 2HH1 ARG 46 1HH1 ARG 46 14.451 -3.515 -17.127 358 1HH2 ARG 46 1HH2 ARG 46 15.339 -3.237 -13.784 359 2HH2 ARG 46 2HH2 ARG 46 15.484 -4.177 -15.232 360 H MET 47 H MET 47 7.614 0.419 -16.437 361 HA MET 47 HA MET 47 7.435 2.064 -18.765 362 1HB MET 47 2HB MET 47 6.087 -0.064 -18.205 363 2HB MET 47 1HB MET 47 5.071 0.991 -17.227 364 1HG MET 47 2HG MET 47 4.098 0.782 -19.450 365 2HG MET 47 1HG MET 47 4.697 2.428 -19.235 366 1HE MET 47 1HE MET 47 4.993 -0.957 -20.690 367 2HE MET 47 2HE MET 47 6.652 -1.023 -20.100 368 3HE MET 47 3HE MET 47 6.344 -0.942 -21.833 369 H LEU 48 H LEU 48 6.519 2.431 -15.385 370 HA LEU 48 HA LEU 48 4.988 4.839 -15.712 371 1HB LEU 48 2HB LEU 48 6.076 3.254 -13.448 372 2HB LEU 48 1HB LEU 48 5.752 4.944 -13.138 373 HG LEU 48 HG LEU 48 3.417 4.664 -13.560 374 1HD1 LEU 48 1HD1 LEU 48 2.808 2.079 -14.110 375 2HD1 LEU 48 2HD1 LEU 48 4.343 2.218 -14.966 376 3HD1 LEU 48 3HD1 LEU 48 3.016 3.307 -15.360 377 1HD2 LEU 48 1HD2 LEU 48 3.101 2.365 -12.144 378 2HD2 LEU 48 2HD2 LEU 48 3.572 3.897 -11.407 379 3HD2 LEU 48 3HD2 LEU 48 4.801 2.700 -11.815 380 H GLY 49 H GLY 49 8.354 4.040 -15.148 381 1HA GLY 49 2HA GLY 49 9.958 5.724 -16.061 382 2HA GLY 49 1HA GLY 49 9.049 6.922 -15.147 383 H GLN 50 H GLN 50 9.780 3.694 -13.913 384 HA GLN 50 HA GLN 50 11.792 4.854 -12.080 385 1HB GLN 50 2HB GLN 50 9.715 2.820 -11.239 386 2HB GLN 50 1HB GLN 50 10.873 3.659 -10.209 387 1HG GLN 50 2HG GLN 50 8.698 5.055 -11.794 388 2HG GLN 50 1HG GLN 50 8.545 4.605 -10.097 389 1HE2 GLN 50 1HE2 GLN 50 8.930 7.317 -11.716 390 2HE2 GLN 50 2HE2 GLN 50 10.099 8.122 -10.785 391 H ASN 51 H ASN 51 13.585 3.660 -11.809 392 HA ASN 51 HA ASN 51 13.592 0.888 -12.864 393 1HB ASN 51 2HB ASN 51 14.808 2.734 -14.245 394 2HB ASN 51 1HB ASN 51 16.021 2.668 -12.968 395 1HD2 ASN 51 1HD2 ASN 51 15.533 1.482 -15.975 396 2HD2 ASN 51 2HD2 ASN 51 16.273 -0.039 -15.831 397 HA PRO 52 HA PRO 52 15.221 0.957 -8.509 398 1HB PRO 52 2HB PRO 52 13.300 -0.631 -7.390 399 2HB PRO 52 1HB PRO 52 13.145 1.125 -7.548 400 1HG PRO 52 2HG PRO 52 11.791 -1.023 -9.049 401 2HG PRO 52 1HG PRO 52 11.277 0.645 -8.758 402 1HD PRO 52 2HD PRO 52 12.450 -0.396 -11.148 403 2HD PRO 52 1HD PRO 52 12.087 1.306 -10.784 404 H THR 53 H THR 53 14.990 -1.352 -7.006 405 HA THR 53 HA THR 53 16.408 -3.358 -8.653 406 HB THR 53 HB THR 53 17.604 -3.987 -6.728 407 HG1 THR 53 HG1 THR 53 16.760 -3.964 -4.786 408 1HG2 THR 53 1HG2 THR 53 17.002 -1.060 -6.244 409 2HG2 THR 53 2HG2 THR 53 18.160 -1.667 -7.429 410 3HG2 THR 53 3HG2 THR 53 18.434 -1.937 -5.707 411 HA PRO 54 HA PRO 54 13.212 -6.325 -7.894 412 1HB PRO 54 2HB PRO 54 14.491 -8.587 -7.023 413 2HB PRO 54 1HB PRO 54 14.516 -8.015 -8.698 414 1HG PRO 54 2HG PRO 54 16.638 -7.873 -6.626 415 2HG PRO 54 1HG PRO 54 16.784 -7.987 -8.386 416 1HD PRO 54 2HD PRO 54 17.113 -5.649 -6.872 417 2HD PRO 54 1HD PRO 54 16.847 -5.706 -8.629 418 H GLU 55 H GLU 55 15.354 -5.726 -5.203 419 HA GLU 55 HA GLU 55 13.640 -6.925 -3.195 420 1HB GLU 55 2HB GLU 55 16.053 -5.102 -2.975 421 2HB GLU 55 1HB GLU 55 15.204 -5.794 -1.594 422 1HG GLU 55 2HG GLU 55 16.026 -7.703 -3.724 423 2HG GLU 55 1HG GLU 55 17.325 -7.001 -2.760 424 H GLU 56 H GLU 56 14.419 -3.677 -4.412 425 HA GLU 56 HA GLU 56 12.740 -2.273 -2.568 426 1HB GLU 56 2HB GLU 56 14.700 -1.452 -4.213 427 2HB GLU 56 1HB GLU 56 13.310 -1.076 -5.231 428 1HG GLU 56 2HG GLU 56 13.303 0.870 -4.027 429 2HG GLU 56 1HG GLU 56 12.425 -0.110 -2.852 430 H LEU 57 H LEU 57 12.305 -3.578 -5.836 431 HA LEU 57 HA LEU 57 9.819 -2.438 -6.452 432 1HB LEU 57 2HB LEU 57 10.927 -3.494 -8.211 433 2HB LEU 57 1HB LEU 57 11.288 -4.917 -7.267 434 HG LEU 57 HG LEU 57 9.608 -5.145 -9.163 435 1HD1 LEU 57 1HD1 LEU 57 8.896 -7.005 -8.102 436 2HD1 LEU 57 2HD1 LEU 57 8.150 -6.078 -6.800 437 3HD1 LEU 57 3HD1 LEU 57 9.876 -6.440 -6.747 438 1HD2 LEU 57 1HD2 LEU 57 7.811 -3.791 -9.162 439 2HD2 LEU 57 2HD2 LEU 57 8.337 -3.075 -7.640 440 3HD2 LEU 57 3HD2 LEU 57 7.296 -4.498 -7.630 441 H GLN 58 H GLN 58 10.663 -5.475 -4.796 442 HA GLN 58 HA GLN 58 7.983 -6.324 -4.323 443 1HB GLN 58 2HB GLN 58 10.675 -7.175 -3.480 444 2HB GLN 58 1HB GLN 58 9.408 -7.488 -2.293 445 1HG GLN 58 2HG GLN 58 9.095 -8.225 -5.210 446 2HG GLN 58 1HG GLN 58 9.807 -9.328 -4.033 447 1HE2 GLN 58 1HE2 GLN 58 6.809 -8.088 -5.258 448 2HE2 GLN 58 2HE2 GLN 58 5.793 -8.855 -4.136 449 H GLU 59 H GLU 59 10.240 -4.276 -2.536 450 HA GLU 59 HA GLU 59 8.927 -4.150 -0.061 451 1HB GLU 59 2HB GLU 59 10.806 -2.379 -1.538 452 2HB GLU 59 1HB GLU 59 9.899 -1.653 -0.211 453 1HG GLU 59 2HG GLU 59 10.796 -3.152 1.380 454 2HG GLU 59 1HG GLU 59 11.325 -4.290 0.140 455 H MET 60 H MET 60 8.317 -2.426 -3.086 456 HA MET 60 HA MET 60 6.330 -0.662 -1.997 457 1HB MET 60 2HB MET 60 6.594 -1.486 -4.893 458 2HB MET 60 1HB MET 60 5.871 -0.012 -4.254 459 1HG MET 60 2HG MET 60 8.778 -0.701 -3.799 460 2HG MET 60 1HG MET 60 8.240 0.199 -5.214 461 1HE MET 60 1HE MET 60 9.967 2.778 -2.859 462 2HE MET 60 2HE MET 60 10.172 1.619 -4.170 463 3HE MET 60 3HE MET 60 10.236 1.068 -2.498 464 H ILE 61 H ILE 61 6.325 -3.850 -3.469 465 HA ILE 61 HA ILE 61 3.554 -4.082 -3.965 466 HB ILE 61 HB ILE 61 5.639 -6.199 -3.387 467 1HG1 ILE 61 2HG1 ILE 61 5.960 -4.920 -5.472 468 2HG1 ILE 61 1HG1 ILE 61 5.474 -6.574 -5.830 469 1HG2 ILE 61 1HG2 ILE 61 3.545 -7.204 -2.808 470 2HG2 ILE 61 2HG2 ILE 61 3.901 -7.739 -4.449 471 3HG2 ILE 61 3HG2 ILE 61 2.726 -6.451 -4.178 472 1HD1 ILE 61 1HD1 ILE 61 4.027 -5.418 -7.225 473 2HD1 ILE 61 2HD1 ILE 61 3.920 -4.032 -6.138 474 3HD1 ILE 61 3HD1 ILE 61 3.037 -5.513 -5.768 475 H ASP 62 H ASP 62 5.423 -5.459 -1.216 476 HA ASP 62 HA ASP 62 3.175 -6.297 0.243 477 1HB ASP 62 2HB ASP 62 4.631 -6.469 2.178 478 2HB ASP 62 1HB ASP 62 5.474 -7.043 0.745 479 H GLU 63 H GLU 63 4.664 -3.114 0.036 480 HA GLU 63 HA GLU 63 3.266 -2.059 2.338 481 1HB GLU 63 2HB GLU 63 4.948 -0.858 0.154 482 2HB GLU 63 1HB GLU 63 4.006 0.178 1.226 483 1HG GLU 63 2HG GLU 63 5.105 -0.793 3.185 484 2HG GLU 63 1HG GLU 63 5.996 -1.913 2.155 485 H VAL 64 H VAL 64 2.981 -1.555 -1.186 486 HA VAL 64 HA VAL 64 0.583 -0.014 -1.018 487 HB VAL 64 HB VAL 64 1.713 -1.541 -3.380 488 1HG1 VAL 64 1HG1 VAL 64 0.464 0.419 -4.567 489 2HG1 VAL 64 2HG1 VAL 64 -0.429 0.549 -3.052 490 3HG1 VAL 64 3HG1 VAL 64 -0.477 -0.952 -3.976 491 1HG2 VAL 64 1HG2 VAL 64 2.043 1.407 -2.893 492 2HG2 VAL 64 2HG2 VAL 64 3.040 0.318 -3.858 493 3HG2 VAL 64 3HG2 VAL 64 3.130 0.264 -2.098 494 H ASP 65 H ASP 65 1.095 -3.254 -2.422 495 HA ASP 65 HA ASP 65 -1.556 -4.018 -2.698 496 1HB ASP 65 2HB ASP 65 0.852 -5.230 -3.168 497 2HB ASP 65 1HB ASP 65 0.237 -6.192 -1.825 498 H GLU 66 H GLU 66 -2.981 -3.670 -1.108 499 HA GLU 66 HA GLU 66 -2.498 -3.991 1.673 500 1HB GLU 66 2HB GLU 66 -5.221 -4.158 0.376 501 2HB GLU 66 1HB GLU 66 -4.817 -3.579 1.992 502 1HG GLU 66 2HG GLU 66 -3.364 -1.812 0.721 503 2HG GLU 66 1HG GLU 66 -4.377 -2.232 -0.660 504 H ASP 67 H ASP 67 -3.671 -6.162 -0.825 505 HA ASP 67 HA ASP 67 -4.541 -8.204 1.028 506 1HB ASP 67 2HB ASP 67 -3.978 -8.540 -1.925 507 2HB ASP 67 1HB ASP 67 -5.004 -9.546 -0.905 508 H GLY 68 H GLY 68 -1.768 -7.785 -1.180 509 1HA GLY 68 2HA GLY 68 0.387 -8.623 -1.041 510 2HA GLY 68 1HA GLY 68 -0.016 -9.286 0.544 511 H SER 69 H SER 69 -1.745 -9.846 -2.478 512 HA SER 69 HA SER 69 -1.414 -12.732 -2.144 513 1HB SER 69 2HB SER 69 -3.101 -12.745 -4.085 514 2HB SER 69 1HB SER 69 -3.662 -12.142 -2.529 515 HG SER 69 HG SER 69 -3.924 -10.243 -3.399 516 H GLY 70 H GLY 70 0.569 -10.594 -3.441 517 1HA GLY 70 2HA GLY 70 2.276 -10.781 -4.979 518 2HA GLY 70 1HA GLY 70 1.719 -12.414 -5.326 519 H THR 71 H THR 71 -0.628 -9.881 -5.519 520 HA THR 71 HA THR 71 -0.276 -9.507 -8.398 521 HB THR 71 HB THR 71 -2.501 -10.218 -8.971 522 HG1 THR 71 HG1 THR 71 -3.984 -10.744 -7.474 523 1HG2 THR 71 1HG2 THR 71 -2.418 -12.617 -8.391 524 2HG2 THR 71 2HG2 THR 71 -1.223 -12.270 -7.139 525 3HG2 THR 71 3HG2 THR 71 -0.821 -12.016 -8.839 526 H VAL 72 H VAL 72 -0.818 -7.488 -9.015 527 HA VAL 72 HA VAL 72 -1.948 -5.708 -6.970 528 HB VAL 72 HB VAL 72 -0.903 -4.837 -9.660 529 1HG1 VAL 72 1HG1 VAL 72 -0.449 -2.754 -8.395 530 2HG1 VAL 72 2HG1 VAL 72 -1.121 -3.502 -6.946 531 3HG1 VAL 72 3HG1 VAL 72 -2.156 -3.194 -8.340 532 1HG2 VAL 72 1HG2 VAL 72 1.281 -4.446 -8.523 533 2HG2 VAL 72 2HG2 VAL 72 0.885 -6.164 -8.639 534 3HG2 VAL 72 3HG2 VAL 72 0.673 -5.309 -7.109 535 H ASP 73 H ASP 73 -4.020 -5.228 -6.986 536 HA ASP 73 HA ASP 73 -5.704 -5.768 -9.302 537 1HB ASP 73 2HB ASP 73 -6.226 -5.894 -6.649 538 2HB ASP 73 1HB ASP 73 -6.768 -4.249 -6.972 539 H PHE 74 H PHE 74 -7.211 -3.972 -10.070 540 HA PHE 74 HA PHE 74 -5.719 -1.796 -11.013 541 1HB PHE 74 2HB PHE 74 -7.907 -2.658 -11.968 542 2HB PHE 74 1HB PHE 74 -8.721 -1.737 -10.702 543 HD1 PHE 74 HD1 PHE 74 -5.658 -1.000 -12.717 544 HD2 PHE 74 HD2 PHE 74 -9.677 0.143 -11.728 545 HE1 PHE 74 HE1 PHE 74 -5.414 1.061 -14.079 546 HE2 PHE 74 HE2 PHE 74 -9.427 2.203 -13.083 547 HZ PHE 74 HZ PHE 74 -7.298 2.661 -14.257 548 H ASP 75 H ASP 75 -7.653 -2.140 -8.088 549 HA ASP 75 HA ASP 75 -7.681 0.634 -7.377 550 1HB ASP 75 2HB ASP 75 -7.906 -1.796 -5.572 551 2HB ASP 75 1HB ASP 75 -8.342 -0.142 -5.145 552 H GLU 76 H GLU 76 -5.602 -2.128 -6.562 553 HA GLU 76 HA GLU 76 -3.847 -0.654 -4.834 554 1HB GLU 76 2HB GLU 76 -3.332 -3.266 -6.286 555 2HB GLU 76 1HB GLU 76 -2.416 -2.633 -4.917 556 1HG GLU 76 2HG GLU 76 -4.386 -2.776 -3.478 557 2HG GLU 76 1HG GLU 76 -5.380 -3.290 -4.840 558 H PHE 77 H PHE 77 -4.048 -1.234 -8.269 559 HA PHE 77 HA PHE 77 -1.387 -0.597 -9.023 560 1HB PHE 77 2HB PHE 77 -3.456 -1.619 -10.374 561 2HB PHE 77 1HB PHE 77 -3.689 0.064 -10.811 562 HD1 PHE 77 HD1 PHE 77 -3.307 -0.687 -13.151 563 HD2 PHE 77 HD2 PHE 77 -0.216 -0.931 -10.158 564 HE1 PHE 77 HE1 PHE 77 -1.592 -0.915 -14.918 565 HE2 PHE 77 HE2 PHE 77 1.481 -1.149 -11.941 566 HZ PHE 77 HZ PHE 77 0.789 -1.144 -14.321 567 H LEU 78 H LEU 78 -4.388 1.331 -9.038 568 HA LEU 78 HA LEU 78 -3.143 3.785 -9.772 569 1HB LEU 78 2HB LEU 78 -5.812 2.995 -8.695 570 2HB LEU 78 1HB LEU 78 -5.356 4.688 -8.646 571 HG LEU 78 HG LEU 78 -5.355 4.874 -10.992 572 1HD1 LEU 78 1HD1 LEU 78 -3.970 2.806 -11.358 573 2HD1 LEU 78 2HD1 LEU 78 -5.267 3.018 -12.533 574 3HD1 LEU 78 3HD1 LEU 78 -5.450 1.856 -11.219 575 1HD2 LEU 78 1HD2 LEU 78 -7.484 2.789 -10.436 576 2HD2 LEU 78 2HD2 LEU 78 -7.525 4.043 -11.676 577 3HD2 LEU 78 3HD2 LEU 78 -7.624 4.485 -9.971 578 H VAL 79 H VAL 79 -3.716 2.192 -6.690 579 HA VAL 79 HA VAL 79 -3.361 4.398 -4.960 580 HB VAL 79 HB VAL 79 -3.096 1.425 -4.689 581 1HG1 VAL 79 1HG1 VAL 79 -2.426 1.726 -2.306 582 2HG1 VAL 79 2HG1 VAL 79 -2.151 3.438 -2.628 583 3HG1 VAL 79 3HG1 VAL 79 -1.165 2.218 -3.436 584 1HG2 VAL 79 1HG2 VAL 79 -4.895 1.696 -3.163 585 2HG2 VAL 79 2HG2 VAL 79 -5.244 2.831 -4.467 586 3HG2 VAL 79 3HG2 VAL 79 -4.561 3.414 -2.948 587 H MET 80 H MET 80 -1.031 1.980 -6.157 588 HA MET 80 HA MET 80 1.322 2.760 -5.013 589 1HB MET 80 2HB MET 80 0.610 1.132 -7.147 590 2HB MET 80 1HB MET 80 1.680 2.327 -7.878 591 1HG MET 80 2HG MET 80 3.397 1.855 -6.194 592 2HG MET 80 1HG MET 80 2.320 0.712 -5.396 593 1HE MET 80 1HE MET 80 2.992 1.201 -9.425 594 2HE MET 80 2HE MET 80 4.544 0.370 -9.345 595 3HE MET 80 3HE MET 80 4.255 1.783 -8.331 596 H MET 81 H MET 81 -0.400 4.428 -7.615 597 HA MET 81 HA MET 81 1.682 6.186 -8.405 598 1HB MET 81 2HB MET 81 -0.396 5.791 -9.722 599 2HB MET 81 1HB MET 81 -1.302 6.685 -8.505 600 1HG MET 81 2HG MET 81 0.095 8.680 -8.929 601 2HG MET 81 1HG MET 81 0.997 7.785 -10.152 602 1HE MET 81 1HE MET 81 -2.428 8.985 -8.944 603 2HE MET 81 2HE MET 81 -2.857 7.352 -9.448 604 3HE MET 81 3HE MET 81 -3.505 8.736 -10.324 605 H VAL 82 H VAL 82 -1.176 6.847 -6.353 606 HA VAL 82 HA VAL 82 -0.278 9.385 -5.472 607 HB VAL 82 HB VAL 82 -1.985 9.126 -3.660 608 1HG1 VAL 82 1HG1 VAL 82 -3.914 8.759 -5.357 609 2HG1 VAL 82 2HG1 VAL 82 -2.630 8.587 -6.554 610 3HG1 VAL 82 3HG1 VAL 82 -2.796 10.092 -5.649 611 1HG2 VAL 82 1HG2 VAL 82 -2.530 6.450 -4.986 612 2HG2 VAL 82 2HG2 VAL 82 -3.377 7.141 -3.600 613 3HG2 VAL 82 3HG2 VAL 82 -1.697 6.629 -3.440 614 H ARG 83 H ARG 83 0.358 6.136 -4.323 615 HA ARG 83 HA ARG 83 1.317 6.746 -1.733 616 1HB ARG 83 2HB ARG 83 2.011 4.496 -3.635 617 2HB ARG 83 1HB ARG 83 2.614 4.591 -1.980 618 1HG ARG 83 2HG ARG 83 -0.097 5.031 -1.660 619 2HG ARG 83 1HG ARG 83 -0.049 3.837 -2.956 620 1HD ARG 83 2HD ARG 83 0.801 2.204 -1.606 621 2HD ARG 83 1HD ARG 83 1.782 3.335 -0.681 622 HE ARG 83 HE ARG 83 -1.006 3.694 -0.135 623 1HH1 ARG 83 2HH1 ARG 83 1.743 1.643 0.520 624 2HH1 ARG 83 1HH1 ARG 83 1.138 1.108 2.049 625 1HH2 ARG 83 1HH2 ARG 83 -1.781 2.979 1.873 626 2HH2 ARG 83 2HH2 ARG 83 -0.853 1.861 2.816 627 H CYS 84 H CYS 84 2.784 6.956 -4.917 628 HA CYS 84 HA CYS 84 5.471 7.350 -3.915 629 1HB CYS 84 2HB CYS 84 4.195 7.450 -6.636 630 2HB CYS 84 1HB CYS 84 5.825 8.075 -6.388 631 HG CYS 84 HG CYS 84 5.164 5.147 -5.526 632 H MET 85 H MET 85 2.907 9.401 -5.329 633 HA MET 85 HA MET 85 4.437 11.816 -5.200 634 1HB MET 85 2HB MET 85 2.120 11.129 -6.451 635 2HB MET 85 1HB MET 85 1.491 12.049 -5.085 636 1HG MET 85 2HG MET 85 1.869 13.686 -6.743 637 2HG MET 85 1HG MET 85 3.281 13.808 -5.696 638 1HE MET 85 1HE MET 85 2.908 12.705 -10.013 639 2HE MET 85 2HE MET 85 2.738 14.315 -9.319 640 3HE MET 85 3HE MET 85 1.662 13.021 -8.798 641 H LYS 86 H LYS 86 1.604 10.753 -3.289 642 HA LYS 86 HA LYS 86 2.245 12.681 -1.195 643 1HB LYS 86 2HB LYS 86 -0.139 11.822 -2.127 644 2HB LYS 86 1HB LYS 86 0.080 10.685 -0.797 645 1HG LYS 86 2HG LYS 86 0.818 13.349 0.053 646 2HG LYS 86 1HG LYS 86 -0.810 13.363 -0.624 647 1HD LYS 86 2HD LYS 86 -1.663 12.100 1.069 648 2HD LYS 86 1HD LYS 86 -0.231 11.074 1.157 649 1HE LYS 86 2HE LYS 86 0.174 12.184 3.101 650 2HE LYS 86 1HE LYS 86 0.769 13.465 2.046 651 1HZ LYS 86 1HZ LYS 86 -1.429 14.455 2.053 652 2HZ LYS 86 2HZ LYS 86 -0.850 14.293 3.642 653 3HZ LYS 86 3HZ LYS 86 -2.017 13.212 3.046 654 H ASP 87 H ASP 87 2.089 11.864 1.110 655 HA ASP 87 HA ASP 87 2.927 10.618 2.839 656 1HB ASP 87 2HB ASP 87 1.457 8.830 1.719 657 2HB ASP 87 1HB ASP 87 2.953 8.211 1.017 658 H ASP 88 H ASP 88 4.807 12.065 2.078 659 HA ASP 88 HA ASP 88 7.046 10.781 0.806 660 1HB ASP 88 2HB ASP 88 6.596 13.291 0.860 661 2HB ASP 88 1HB ASP 88 7.153 13.261 2.532 662 H SER 89 HN SER 89 6.367 11.821 4.157 663 HA SER 89 HA SER 89 8.644 10.291 5.155 664 1HB SER 89 2HB SER 89 7.958 12.571 6.066 665 2HB SER 89 1HB SER 89 6.578 11.758 6.801 666 HG SER 89 HG SER 89 9.272 11.668 7.438 Start of MODEL 10 1 1H MET 1 1H MET 1 -4.754 11.967 10.306 2 2H MET 1 2H MET 1 -5.136 11.244 8.817 3 3H MET 1 3H MET 1 -4.347 12.747 8.856 4 HA MET 1 HA MET 1 -2.407 11.717 9.894 5 1HB MET 1 2HB MET 1 -4.210 9.317 9.686 6 2HB MET 1 1HB MET 1 -2.460 9.104 9.612 7 1HG MET 1 2HG MET 1 -2.285 10.419 11.754 8 2HG MET 1 1HG MET 1 -4.046 10.392 11.851 9 1HE MET 1 1HE MET 1 -0.809 7.859 11.651 10 2HE MET 1 2HE MET 1 -1.120 7.483 13.344 11 3HE MET 1 3HE MET 1 -0.991 9.164 12.832 12 H ASN 2 H ASN 2 -4.129 9.752 7.440 13 HA ASN 2 HA ASN 2 -2.328 10.811 5.371 14 1HB ASN 2 2HB ASN 2 -2.438 8.004 6.332 15 2HB ASN 2 1HB ASN 2 -2.403 8.227 4.583 16 1HD2 ASN 2 1HD2 ASN 2 -0.709 10.244 4.065 17 2HD2 ASN 2 2HD2 ASN 2 0.815 10.007 4.776 18 H ASP 3 H ASP 3 -4.828 11.684 5.603 19 HA ASP 3 HA ASP 3 -6.705 10.106 4.062 20 1HB ASP 3 2HB ASP 3 -8.186 12.072 4.256 21 2HB ASP 3 1HB ASP 3 -7.548 11.580 5.823 22 H ILE 4 H ILE 4 -4.167 12.290 3.323 23 HA ILE 4 HA ILE 4 -5.130 13.560 1.014 24 HB ILE 4 HB ILE 4 -2.748 13.799 0.358 25 1HG1 ILE 4 2HG1 ILE 4 -1.251 12.913 2.448 26 2HG1 ILE 4 1HG1 ILE 4 -2.469 11.640 2.383 27 1HG2 ILE 4 1HG2 ILE 4 -3.552 15.461 1.841 28 2HG2 ILE 4 2HG2 ILE 4 -2.041 14.910 2.565 29 3HG2 ILE 4 3HG2 ILE 4 -3.585 14.345 3.205 30 1HD1 ILE 4 1HD1 ILE 4 -0.444 11.195 0.949 31 2HD1 ILE 4 2HD1 ILE 4 -0.903 12.587 -0.030 32 3HD1 ILE 4 3HD1 ILE 4 -1.968 11.185 0.062 33 H TYR 5 H TYR 5 -3.954 10.296 1.504 34 HA TYR 5 HA TYR 5 -3.399 9.546 -1.150 35 1HB TYR 5 2HB TYR 5 -4.335 8.021 1.273 36 2HB TYR 5 1HB TYR 5 -4.198 7.217 -0.291 37 HD1 TYR 5 HD1 TYR 5 -2.221 9.526 1.922 38 HD2 TYR 5 HD2 TYR 5 -2.158 6.246 -0.850 39 HE1 TYR 5 HE1 TYR 5 0.221 9.295 2.254 40 HE2 TYR 5 HE2 TYR 5 0.286 6.014 -0.516 41 HH TYR 5 HH TYR 5 2.216 8.105 0.463 42 H LYS 6 H LYS 6 -6.426 9.671 0.669 43 HA LYS 6 HA LYS 6 -8.046 8.547 -1.436 44 1HB LYS 6 2HB LYS 6 -8.618 8.447 1.019 45 2HB LYS 6 1HB LYS 6 -8.955 10.175 0.949 46 1HG LYS 6 2HG LYS 6 -10.401 9.239 -1.196 47 2HG LYS 6 1HG LYS 6 -10.552 7.908 -0.050 48 1HD LYS 6 2HD LYS 6 -12.370 9.438 0.377 49 2HD LYS 6 1HD LYS 6 -11.218 9.598 1.703 50 1HE LYS 6 2HE LYS 6 -11.463 11.831 1.223 51 2HE LYS 6 1HE LYS 6 -10.207 11.463 0.043 52 1HZ LYS 6 1HZ LYS 6 -13.127 11.655 -0.407 53 2HZ LYS 6 2HZ LYS 6 -12.075 10.947 -1.536 54 3HZ LYS 6 3HZ LYS 6 -11.899 12.584 -1.116 55 H ALA 7 H ALA 7 -6.989 11.747 -0.470 56 HA ALA 7 HA ALA 7 -8.896 13.312 -1.839 57 1HB ALA 7 1HB ALA 7 -7.123 14.076 -0.145 58 2HB ALA 7 2HB ALA 7 -7.438 15.138 -1.516 59 3HB ALA 7 3HB ALA 7 -6.008 14.107 -1.511 60 H ALA 8 H ALA 8 -6.217 11.422 -3.020 61 HA ALA 8 HA ALA 8 -6.018 12.849 -5.543 62 1HB ALA 8 1HB ALA 8 -4.043 11.730 -4.502 63 2HB ALA 8 2HB ALA 8 -4.365 11.188 -6.149 64 3HB ALA 8 3HB ALA 8 -4.826 10.175 -4.781 65 H VAL 9 H VAL 9 -7.202 9.660 -4.452 66 HA VAL 9 HA VAL 9 -8.055 8.772 -7.001 67 HB VAL 9 HB VAL 9 -7.725 7.289 -5.015 68 1HG1 VAL 9 1HG1 VAL 9 -10.308 8.606 -4.139 69 2HG1 VAL 9 2HG1 VAL 9 -8.777 8.559 -3.266 70 3HG1 VAL 9 3HG1 VAL 9 -9.720 7.084 -3.471 71 1HG2 VAL 9 1HG2 VAL 9 -10.539 7.049 -6.095 72 2HG2 VAL 9 2HG2 VAL 9 -9.426 5.752 -5.663 73 3HG2 VAL 9 3HG2 VAL 9 -9.123 6.731 -7.097 74 H GLU 10 H GLU 10 -9.530 10.916 -4.671 75 HA GLU 10 HA GLU 10 -12.167 10.748 -5.851 76 1HB GLU 10 2HB GLU 10 -12.785 12.454 -4.246 77 2HB GLU 10 1HB GLU 10 -11.826 11.215 -3.440 78 1HG GLU 10 2HG GLU 10 -10.412 12.813 -2.745 79 2HG GLU 10 1HG GLU 10 -9.981 13.116 -4.426 80 H GLN 11 H GLN 11 -9.270 12.503 -6.536 81 HA GLN 11 HA GLN 11 -10.827 14.428 -8.161 82 1HB GLN 11 2HB GLN 11 -9.061 16.037 -7.903 83 2HB GLN 11 1HB GLN 11 -9.489 15.441 -6.301 84 1HG GLN 11 2HG GLN 11 -7.583 13.856 -6.391 85 2HG GLN 11 1HG GLN 11 -7.143 14.488 -7.976 86 1HE2 GLN 11 1HE2 GLN 11 -8.008 15.980 -4.781 87 2HE2 GLN 11 2HE2 GLN 11 -6.697 17.059 -4.783 88 H LEU 12 H LEU 12 -9.442 11.625 -8.727 89 HA LEU 12 HA LEU 12 -7.552 12.356 -10.806 90 1HB LEU 12 2HB LEU 12 -7.766 9.847 -11.368 91 2HB LEU 12 1HB LEU 12 -6.946 10.327 -9.902 92 HG LEU 12 HG LEU 12 -8.884 9.704 -8.573 93 1HD1 LEU 12 1HD1 LEU 12 -10.146 9.294 -11.282 94 2HD1 LEU 12 2HD1 LEU 12 -10.762 10.216 -9.908 95 3HD1 LEU 12 3HD1 LEU 12 -10.756 8.453 -9.857 96 1HD2 LEU 12 1HD2 LEU 12 -8.117 7.608 -10.626 97 2HD2 LEU 12 2HD2 LEU 12 -8.914 7.265 -9.090 98 3HD2 LEU 12 3HD2 LEU 12 -7.283 7.936 -9.106 99 H THR 13 H THR 13 -7.822 11.474 -13.034 100 HA THR 13 HA THR 13 -10.573 11.996 -13.987 101 HB THR 13 HB THR 13 -9.005 12.102 -16.227 102 HG1 THR 13 HG1 THR 13 -7.050 12.082 -15.352 103 1HG2 THR 13 1HG2 THR 13 -10.688 13.753 -14.947 104 2HG2 THR 13 2HG2 THR 13 -9.674 14.278 -16.291 105 3HG2 THR 13 3HG2 THR 13 -9.171 14.595 -14.630 106 H ASP 14 H ASP 14 -10.980 10.922 -16.189 107 HA ASP 14 HA ASP 14 -10.942 8.095 -15.857 108 1HB ASP 14 2HB ASP 14 -11.515 9.797 -18.300 109 2HB ASP 14 1HB ASP 14 -11.757 8.051 -18.228 110 H GLU 15 H GLU 15 -8.870 10.417 -17.486 111 HA GLU 15 HA GLU 15 -7.378 8.608 -19.092 112 1HB GLU 15 2HB GLU 15 -6.987 11.392 -18.090 113 2HB GLU 15 1HB GLU 15 -5.565 10.525 -18.672 114 1HG GLU 15 2HG GLU 15 -6.794 10.009 -20.786 115 2HG GLU 15 1HG GLU 15 -8.137 10.995 -20.209 116 H GLN 16 H GLN 16 -7.127 9.610 -15.713 117 HA GLN 16 HA GLN 16 -4.555 8.511 -15.188 118 1HB GLN 16 2HB GLN 16 -5.884 10.149 -13.718 119 2HB GLN 16 1HB GLN 16 -6.775 8.738 -13.152 120 1HG GLN 16 2HG GLN 16 -3.995 8.086 -13.077 121 2HG GLN 16 1HG GLN 16 -4.196 9.660 -12.309 122 1HE2 GLN 16 1HE2 GLN 16 -5.825 6.425 -12.312 123 2HE2 GLN 16 2HE2 GLN 16 -6.156 6.440 -10.648 124 H LYS 17 H LYS 17 -7.869 7.261 -14.807 125 HA LYS 17 HA LYS 17 -7.198 4.738 -13.730 126 1HB LYS 17 2HB LYS 17 -9.547 5.491 -15.496 127 2HB LYS 17 1HB LYS 17 -9.411 3.997 -14.571 128 1HG LYS 17 2HG LYS 17 -9.406 6.793 -13.389 129 2HG LYS 17 1HG LYS 17 -10.775 5.681 -13.378 130 1HD LYS 17 2HD LYS 17 -9.161 4.021 -12.221 131 2HD LYS 17 1HD LYS 17 -8.154 5.437 -11.916 132 1HE LYS 17 2HE LYS 17 -9.450 5.516 -10.013 133 2HE LYS 17 1HE LYS 17 -10.497 6.440 -11.088 134 1HZ LYS 17 1HZ LYS 17 -11.628 4.322 -11.640 135 2HZ LYS 17 2HZ LYS 17 -11.795 4.775 -10.011 136 3HZ LYS 17 3HZ LYS 17 -10.702 3.549 -10.446 137 H ASN 18 H ASN 18 -7.591 5.879 -17.070 138 HA ASN 18 HA ASN 18 -7.152 3.369 -18.338 139 1HB ASN 18 2HB ASN 18 -7.077 6.229 -19.230 140 2HB ASN 18 1HB ASN 18 -6.419 4.983 -20.289 141 1HD2 ASN 18 1HD2 ASN 18 -9.304 6.556 -19.410 142 2HD2 ASN 18 2HD2 ASN 18 -10.397 5.435 -20.067 143 H GLU 19 H GLU 19 -4.992 5.845 -17.092 144 HA GLU 19 HA GLU 19 -2.624 5.242 -18.436 145 1HB GLU 19 2HB GLU 19 -2.982 7.138 -16.801 146 2HB GLU 19 1HB GLU 19 -2.793 5.962 -15.501 147 1HG GLU 19 2HG GLU 19 -0.545 5.520 -16.059 148 2HG GLU 19 1HG GLU 19 -0.716 6.213 -17.673 149 H PHE 20 H PHE 20 -3.854 3.850 -15.374 150 HA PHE 20 HA PHE 20 -1.744 1.842 -15.364 151 1HB PHE 20 2HB PHE 20 -3.975 2.573 -13.500 152 2HB PHE 20 1HB PHE 20 -3.182 1.004 -13.354 153 HD1 PHE 20 HD1 PHE 20 -0.967 0.803 -12.490 154 HD2 PHE 20 HD2 PHE 20 -2.619 4.678 -13.310 155 HE1 PHE 20 HE1 PHE 20 0.919 1.854 -11.276 156 HE2 PHE 20 HE2 PHE 20 -0.729 5.738 -12.110 157 HZ PHE 20 HZ PHE 20 1.042 4.328 -11.091 158 H LYS 21 H LYS 21 -5.280 1.961 -15.805 159 HA LYS 21 HA LYS 21 -5.819 -0.768 -15.964 160 1HB LYS 21 2HB LYS 21 -7.571 0.955 -15.920 161 2HB LYS 21 1HB LYS 21 -7.128 1.451 -17.549 162 1HG LYS 21 2HG LYS 21 -7.649 -1.442 -17.249 163 2HG LYS 21 1HG LYS 21 -9.053 -0.411 -16.974 164 1HD LYS 21 2HD LYS 21 -7.353 0.215 -19.344 165 2HD LYS 21 1HD LYS 21 -8.357 -1.232 -19.432 166 1HE LYS 21 2HE LYS 21 -10.347 0.104 -18.860 167 2HE LYS 21 1HE LYS 21 -9.350 1.554 -18.749 168 1HZ LYS 21 1HZ LYS 21 -8.762 1.299 -21.070 169 2HZ LYS 21 2HZ LYS 21 -10.450 1.375 -20.899 170 3HZ LYS 21 3HZ LYS 21 -9.690 -0.117 -21.182 171 H ALA 22 H ALA 22 -4.546 1.406 -18.462 172 HA ALA 22 HA ALA 22 -4.773 -0.322 -20.684 173 1HB ALA 22 1HB ALA 22 -4.187 2.019 -20.991 174 2HB ALA 22 2HB ALA 22 -2.894 1.012 -21.643 175 3HB ALA 22 3HB ALA 22 -2.695 1.796 -20.076 176 H ALA 23 H ALA 23 -2.042 0.243 -18.468 177 HA ALA 23 HA ALA 23 -0.374 -1.818 -19.504 178 1HB ALA 23 1HB ALA 23 1.096 -1.287 -17.782 179 2HB ALA 23 2HB ALA 23 -0.202 -0.932 -16.641 180 3HB ALA 23 3HB ALA 23 0.189 0.219 -17.921 181 H PHE 24 H PHE 24 -2.815 -1.634 -16.987 182 HA PHE 24 HA PHE 24 -2.403 -4.087 -15.688 183 1HB PHE 24 2HB PHE 24 -4.004 -2.162 -15.070 184 2HB PHE 24 1HB PHE 24 -5.133 -2.905 -16.201 185 HD1 PHE 24 HD1 PHE 24 -5.697 -5.406 -15.863 186 HD2 PHE 24 HD2 PHE 24 -3.804 -2.978 -12.870 187 HE1 PHE 24 HE1 PHE 24 -6.366 -7.032 -14.119 188 HE2 PHE 24 HE2 PHE 24 -4.472 -4.602 -11.128 189 HZ PHE 24 HZ PHE 24 -5.755 -6.621 -11.749 190 H ASP 25 H ASP 25 -4.442 -3.275 -18.495 191 HA ASP 25 HA ASP 25 -5.576 -5.814 -18.906 192 1HB ASP 25 2HB ASP 25 -5.916 -3.394 -20.069 193 2HB ASP 25 1HB ASP 25 -4.993 -4.213 -21.326 194 H ILE 26 H ILE 26 -2.591 -4.403 -20.264 195 HA ILE 26 HA ILE 26 -2.022 -6.697 -21.893 196 HB ILE 26 HB ILE 26 0.234 -5.652 -22.191 197 1HG1 ILE 26 2HG1 ILE 26 -0.932 -3.470 -20.425 198 2HG1 ILE 26 1HG1 ILE 26 0.350 -4.576 -19.938 199 1HG2 ILE 26 1HG2 ILE 26 -0.592 -3.870 -23.555 200 2HG2 ILE 26 2HG2 ILE 26 -2.015 -3.657 -22.534 201 3HG2 ILE 26 3HG2 ILE 26 -1.858 -5.099 -23.538 202 1HD1 ILE 26 1HD1 ILE 26 1.867 -3.686 -21.547 203 2HD1 ILE 26 2HD1 ILE 26 1.102 -2.287 -20.791 204 3HD1 ILE 26 3HD1 ILE 26 0.581 -2.821 -22.389 205 H PHE 27 H PHE 27 -0.881 -5.603 -18.696 206 HA PHE 27 HA PHE 27 1.065 -7.654 -18.382 207 1HB PHE 27 2HB PHE 27 -0.360 -5.867 -16.416 208 2HB PHE 27 1HB PHE 27 0.785 -7.101 -15.889 209 HD1 PHE 27 HD1 PHE 27 2.918 -7.119 -17.780 210 HD2 PHE 27 HD2 PHE 27 0.642 -3.752 -16.389 211 HE1 PHE 27 HE1 PHE 27 4.796 -5.608 -18.355 212 HE2 PHE 27 HE2 PHE 27 2.521 -2.245 -16.971 213 HZ PHE 27 HZ PHE 27 4.600 -3.171 -17.950 214 H ILE 28 H ILE 28 -2.411 -7.540 -17.720 215 HA ILE 28 HA ILE 28 -2.274 -10.215 -16.485 216 HB ILE 28 HB ILE 28 -4.572 -9.918 -15.819 217 1HG1 ILE 28 2HG1 ILE 28 -5.464 -7.440 -16.413 218 2HG1 ILE 28 1HG1 ILE 28 -4.487 -7.737 -17.851 219 1HG2 ILE 28 1HG2 ILE 28 -3.331 -7.214 -15.359 220 2HG2 ILE 28 2HG2 ILE 28 -2.631 -8.665 -14.643 221 3HG2 ILE 28 3HG2 ILE 28 -4.285 -8.197 -14.249 222 1HD1 ILE 28 1HD1 ILE 28 -6.342 -9.892 -16.911 223 2HD1 ILE 28 2HD1 ILE 28 -5.799 -9.518 -18.548 224 3HD1 ILE 28 3HD1 ILE 28 -7.018 -8.507 -17.769 225 H GLN 29 H GLN 29 -2.238 -9.215 -19.539 226 HA GLN 29 HA GLN 29 -4.372 -10.260 -20.940 227 1HB GLN 29 2HB GLN 29 -2.495 -9.039 -21.978 228 2HB GLN 29 1HB GLN 29 -1.444 -10.427 -21.702 229 1HG GLN 29 2HG GLN 29 -2.146 -10.720 -23.927 230 2HG GLN 29 1HG GLN 29 -3.234 -11.770 -23.018 231 1HE2 GLN 29 1HE2 GLN 29 -3.072 -8.357 -24.205 232 2HE2 GLN 29 2HE2 GLN 29 -4.733 -8.247 -24.538 233 H ASP 30 H ASP 30 -1.507 -11.988 -19.751 234 HA ASP 30 HA ASP 30 -2.524 -14.549 -20.715 235 1HB ASP 30 2HB ASP 30 -0.415 -15.477 -19.890 236 2HB ASP 30 1HB ASP 30 -0.117 -14.061 -20.897 237 H ALA 31 H ALA 31 -3.198 -12.732 -18.022 238 HA ALA 31 HA ALA 31 -3.341 -15.023 -16.186 239 1HB ALA 31 1HB ALA 31 -2.368 -12.989 -15.250 240 2HB ALA 31 2HB ALA 31 -3.914 -13.330 -14.471 241 3HB ALA 31 3HB ALA 31 -3.805 -12.070 -15.701 242 H GLU 32 H GLU 32 -5.267 -15.602 -15.160 243 HA GLU 32 HA GLU 32 -7.745 -14.633 -16.466 244 1HB GLU 32 2HB GLU 32 -7.042 -17.463 -15.640 245 2HB GLU 32 1HB GLU 32 -8.647 -16.947 -16.161 246 1HG GLU 32 2HG GLU 32 -7.597 -16.123 -18.305 247 2HG GLU 32 1HG GLU 32 -6.093 -16.886 -17.790 248 H ASP 33 H ASP 33 -6.756 -13.449 -14.174 249 HA ASP 33 HA ASP 33 -8.731 -14.322 -12.153 250 1HB ASP 33 2HB ASP 33 -5.825 -13.653 -11.751 251 2HB ASP 33 1HB ASP 33 -6.993 -13.450 -10.445 252 H GLY 34 H GLY 34 -6.629 -11.669 -13.263 253 1HA GLY 34 2HA GLY 34 -7.685 -9.522 -13.811 254 2HA GLY 34 1HA GLY 34 -8.717 -9.749 -12.402 255 H CYS 35 H CYS 35 -5.233 -10.329 -12.672 256 HA CYS 35 HA CYS 35 -4.580 -7.948 -11.108 257 1HB CYS 35 2HB CYS 35 -3.791 -10.691 -10.096 258 2HB CYS 35 1HB CYS 35 -3.474 -9.137 -9.327 259 HG CYS 35 HG CYS 35 -6.083 -10.702 -9.147 260 H ILE 36 H ILE 36 -2.479 -7.264 -11.451 261 HA ILE 36 HA ILE 36 -1.083 -8.523 -13.658 262 HB ILE 36 HB ILE 36 0.355 -6.644 -13.692 263 1HG1 ILE 36 2HG1 ILE 36 -0.231 -5.026 -11.504 264 2HG1 ILE 36 1HG1 ILE 36 -0.142 -6.644 -10.808 265 1HG2 ILE 36 1HG2 ILE 36 -1.160 -4.954 -14.089 266 2HG2 ILE 36 2HG2 ILE 36 -2.058 -5.261 -12.602 267 3HG2 ILE 36 3HG2 ILE 36 -2.271 -6.319 -13.997 268 1HD1 ILE 36 1HD1 ILE 36 2.066 -5.306 -10.988 269 2HD1 ILE 36 2HD1 ILE 36 1.973 -5.642 -12.717 270 3HD1 ILE 36 3HD1 ILE 36 2.078 -6.972 -11.564 271 H SER 37 H SER 37 1.395 -8.713 -13.445 272 HA SER 37 HA SER 37 1.898 -10.558 -11.240 273 1HB SER 37 2HB SER 37 2.619 -10.645 -13.865 274 2HB SER 37 1HB SER 37 4.079 -9.974 -13.146 275 HG SER 37 HG SER 37 3.828 -12.361 -13.215 276 H THR 38 H THR 38 2.442 -9.605 -9.378 277 HA THR 38 HA THR 38 3.627 -7.113 -8.978 278 HB THR 38 HB THR 38 4.261 -7.924 -6.733 279 HG1 THR 38 HG1 THR 38 3.376 -10.442 -7.697 280 1HG2 THR 38 1HG2 THR 38 2.024 -7.249 -6.807 281 2HG2 THR 38 2HG2 THR 38 1.913 -8.883 -6.155 282 3HG2 THR 38 3HG2 THR 38 1.556 -8.587 -7.856 283 H LYS 39 H LYS 39 5.144 -10.291 -9.386 284 HA LYS 39 HA LYS 39 7.817 -9.498 -8.907 285 1HB LYS 39 2HB LYS 39 8.422 -11.544 -10.247 286 2HB LYS 39 1HB LYS 39 7.309 -11.846 -8.916 287 1HG LYS 39 2HG LYS 39 5.866 -11.160 -11.348 288 2HG LYS 39 1HG LYS 39 6.923 -12.546 -11.605 289 1HD LYS 39 2HD LYS 39 5.193 -12.413 -9.146 290 2HD LYS 39 1HD LYS 39 4.506 -12.947 -10.679 291 1HE LYS 39 2HE LYS 39 7.107 -14.163 -9.892 292 2HE LYS 39 1HE LYS 39 5.691 -14.648 -8.959 293 1HZ LYS 39 1HZ LYS 39 5.885 -14.731 -11.923 294 2HZ LYS 39 2HZ LYS 39 4.575 -15.270 -10.984 295 3HZ LYS 39 3HZ LYS 39 6.070 -16.070 -10.899 296 H GLU 40 H GLU 40 5.738 -9.175 -11.707 297 HA GLU 40 HA GLU 40 7.998 -8.281 -13.371 298 1HB GLU 40 2HB GLU 40 5.108 -8.770 -14.138 299 2HB GLU 40 1HB GLU 40 6.423 -8.368 -15.243 300 1HG GLU 40 2HG GLU 40 7.617 -10.453 -14.353 301 2HG GLU 40 1HG GLU 40 6.077 -10.890 -13.613 302 H LEU 41 H LEU 41 6.522 -6.782 -11.070 303 HA LEU 41 HA LEU 41 5.100 -4.611 -12.170 304 1HB LEU 41 2HB LEU 41 5.038 -5.128 -9.794 305 2HB LEU 41 1HB LEU 41 6.744 -4.773 -9.645 306 HG LEU 41 HG LEU 41 6.330 -2.413 -10.068 307 1HD1 LEU 41 1HD1 LEU 41 4.523 -2.492 -11.654 308 2HD1 LEU 41 2HD1 LEU 41 3.916 -1.640 -10.234 309 3HD1 LEU 41 3HD1 LEU 41 3.472 -3.325 -10.507 310 1HD2 LEU 41 1HD2 LEU 41 5.811 -3.649 -7.781 311 2HD2 LEU 41 2HD2 LEU 41 4.157 -3.152 -8.139 312 3HD2 LEU 41 3HD2 LEU 41 5.428 -1.939 -7.979 313 H GLY 42 H GLY 42 8.514 -5.314 -12.063 314 1HA GLY 42 2HA GLY 42 9.628 -2.746 -12.251 315 2HA GLY 42 1HA GLY 42 10.340 -4.208 -12.925 316 H LYS 43 H LYS 43 8.142 -4.826 -14.702 317 HA LYS 43 HA LYS 43 8.880 -3.261 -16.977 318 1HB LYS 43 2HB LYS 43 6.611 -5.226 -16.569 319 2HB LYS 43 1HB LYS 43 7.041 -4.508 -18.122 320 1HG LYS 43 2HG LYS 43 9.244 -5.515 -18.049 321 2HG LYS 43 1HG LYS 43 8.970 -6.097 -16.406 322 1HD LYS 43 2HD LYS 43 7.312 -7.654 -17.122 323 2HD LYS 43 1HD LYS 43 7.191 -6.903 -18.715 324 1HE LYS 43 2HE LYS 43 8.529 -8.779 -19.148 325 2HE LYS 43 1HE LYS 43 9.728 -7.506 -18.918 326 1HZ LYS 43 1HZ LYS 43 10.221 -9.560 -17.672 327 2HZ LYS 43 2HZ LYS 43 8.796 -9.341 -16.775 328 3HZ LYS 43 3HZ LYS 43 10.055 -8.205 -16.667 329 H VAL 44 H VAL 44 6.441 -2.955 -14.535 330 HA VAL 44 HA VAL 44 4.790 -1.123 -16.092 331 HB VAL 44 HB VAL 44 4.480 -1.524 -13.137 332 1HG1 VAL 44 1HG1 VAL 44 3.144 -0.011 -14.913 333 2HG1 VAL 44 2HG1 VAL 44 2.366 -0.735 -13.508 334 3HG1 VAL 44 3HG1 VAL 44 2.237 -1.512 -15.086 335 1HG2 VAL 44 1HG2 VAL 44 3.842 -3.690 -13.287 336 2HG2 VAL 44 2HG2 VAL 44 4.612 -3.716 -14.872 337 3HG2 VAL 44 3HG2 VAL 44 2.886 -3.380 -14.734 338 H MET 45 H MET 45 6.829 -1.068 -13.171 339 HA MET 45 HA MET 45 6.630 1.610 -12.485 340 1HB MET 45 2HB MET 45 9.000 -0.258 -12.291 341 2HB MET 45 1HB MET 45 8.984 1.357 -11.585 342 1HG MET 45 2HG MET 45 6.899 -0.756 -10.981 343 2HG MET 45 1HG MET 45 8.323 -0.476 -9.980 344 1HE MET 45 1HE MET 45 8.457 1.083 -8.150 345 2HE MET 45 2HE MET 45 7.841 2.733 -8.199 346 3HE MET 45 3HE MET 45 8.971 2.185 -9.435 347 H ARG 46 H ARG 46 8.803 0.103 -14.877 348 HA ARG 46 HA ARG 46 10.251 2.441 -15.547 349 1HB ARG 46 2HB ARG 46 10.834 1.284 -17.649 350 2HB ARG 46 1HB ARG 46 11.021 0.223 -16.254 351 1HG ARG 46 2HG ARG 46 8.868 -0.832 -16.722 352 2HG ARG 46 1HG ARG 46 8.578 0.285 -18.054 353 1HD ARG 46 2HD ARG 46 10.647 -0.586 -19.163 354 2HD ARG 46 1HD ARG 46 10.787 -1.780 -17.877 355 HE ARG 46 HE ARG 46 8.200 -1.916 -19.061 356 1HH1 ARG 46 2HH1 ARG 46 11.556 -2.670 -19.678 357 2HH1 ARG 46 1HH1 ARG 46 11.193 -3.992 -20.732 358 1HH2 ARG 46 1HH2 ARG 46 7.751 -3.656 -20.443 359 2HH2 ARG 46 2HH2 ARG 46 9.047 -4.551 -21.165 360 H MET 47 H MET 47 7.146 1.194 -16.647 361 HA MET 47 HA MET 47 6.822 3.105 -18.779 362 1HB MET 47 2HB MET 47 4.962 1.165 -17.403 363 2HB MET 47 1HB MET 47 4.372 2.327 -18.593 364 1HG MET 47 2HG MET 47 6.740 0.582 -19.233 365 2HG MET 47 1HG MET 47 5.101 -0.046 -19.409 366 1HE MET 47 1HE MET 47 7.795 2.266 -20.365 367 2HE MET 47 2HE MET 47 7.441 2.740 -22.024 368 3HE MET 47 3HE MET 47 7.749 1.047 -21.645 369 H LEU 48 H LEU 48 5.998 2.925 -15.368 370 HA LEU 48 HA LEU 48 4.215 5.172 -15.325 371 1HB LEU 48 2HB LEU 48 5.595 3.477 -13.305 372 2HB LEU 48 1HB LEU 48 5.039 5.052 -12.792 373 HG LEU 48 HG LEU 48 2.767 4.483 -13.136 374 1HD1 LEU 48 1HD1 LEU 48 2.469 3.416 -15.148 375 2HD1 LEU 48 2HD1 LEU 48 2.440 1.989 -14.113 376 3HD1 LEU 48 3HD1 LEU 48 3.919 2.433 -14.962 377 1HD2 LEU 48 1HD2 LEU 48 4.507 2.509 -11.786 378 2HD2 LEU 48 2HD2 LEU 48 2.883 1.928 -12.158 379 3HD2 LEU 48 3HD2 LEU 48 3.099 3.375 -11.171 380 H GLY 49 H GLY 49 7.684 4.733 -15.063 381 1HA GLY 49 2HA GLY 49 9.018 6.708 -15.772 382 2HA GLY 49 1HA GLY 49 8.009 7.658 -14.691 383 H GLN 50 H GLN 50 8.966 4.488 -13.620 384 HA GLN 50 HA GLN 50 11.134 5.628 -11.968 385 1HB GLN 50 2HB GLN 50 8.971 3.752 -10.975 386 2HB GLN 50 1HB GLN 50 10.322 4.379 -10.030 387 1HG GLN 50 2HG GLN 50 9.152 6.242 -9.557 388 2HG GLN 50 1HG GLN 50 8.992 6.585 -11.279 389 1HE2 GLN 50 1HE2 GLN 50 6.824 6.899 -11.767 390 2HE2 GLN 50 2HE2 GLN 50 5.543 5.976 -11.145 391 H ASN 51 H ASN 51 12.708 4.089 -11.239 392 HA ASN 51 HA ASN 51 12.601 1.425 -12.480 393 1HB ASN 51 2HB ASN 51 13.852 3.191 -13.932 394 2HB ASN 51 1HB ASN 51 15.123 3.046 -12.721 395 1HD2 ASN 51 1HD2 ASN 51 15.711 2.212 -15.322 396 2HD2 ASN 51 2HD2 ASN 51 15.810 0.518 -15.376 397 HA PRO 52 HA PRO 52 14.406 1.297 -8.226 398 1HB PRO 52 2HB PRO 52 12.515 -0.350 -7.140 399 2HB PRO 52 1HB PRO 52 12.358 1.412 -7.203 400 1HG PRO 52 2HG PRO 52 10.952 -0.652 -8.772 401 2HG PRO 52 1HG PRO 52 10.461 1.004 -8.393 402 1HD PRO 52 2HD PRO 52 11.575 0.056 -10.853 403 2HD PRO 52 1HD PRO 52 11.216 1.743 -10.415 404 H THR 53 H THR 53 14.189 -1.140 -6.846 405 HA THR 53 HA THR 53 15.558 -3.010 -8.688 406 HB THR 53 HB THR 53 16.879 -3.737 -6.904 407 HG1 THR 53 HG1 THR 53 16.151 -3.928 -4.925 408 1HG2 THR 53 1HG2 THR 53 17.691 -1.771 -5.709 409 2HG2 THR 53 2HG2 THR 53 16.215 -0.893 -6.108 410 3HG2 THR 53 3HG2 THR 53 17.342 -1.349 -7.386 411 HA PRO 54 HA PRO 54 12.424 -6.041 -8.028 412 1HB PRO 54 2HB PRO 54 13.784 -8.352 -7.457 413 2HB PRO 54 1HB PRO 54 13.686 -7.630 -9.071 414 1HG PRO 54 2HG PRO 54 15.941 -7.615 -7.130 415 2HG PRO 54 1HG PRO 54 15.975 -7.608 -8.901 416 1HD PRO 54 2HD PRO 54 16.393 -5.373 -7.283 417 2HD PRO 54 1HD PRO 54 15.945 -5.311 -9.002 418 H GLU 55 H GLU 55 14.787 -5.772 -5.442 419 HA GLU 55 HA GLU 55 13.132 -7.104 -3.461 420 1HB GLU 55 2HB GLU 55 15.757 -5.629 -3.375 421 2HB GLU 55 1HB GLU 55 14.898 -6.030 -1.888 422 1HG GLU 55 2HG GLU 55 14.765 -8.433 -2.869 423 2HG GLU 55 1HG GLU 55 16.049 -7.898 -3.954 424 H GLU 56 H GLU 56 13.840 -3.826 -4.543 425 HA GLU 56 HA GLU 56 12.587 -2.470 -2.359 426 1HB GLU 56 2HB GLU 56 14.256 -1.627 -4.262 427 2HB GLU 56 1HB GLU 56 12.740 -1.199 -5.054 428 1HG GLU 56 2HG GLU 56 12.065 -0.017 -2.923 429 2HG GLU 56 1HG GLU 56 13.703 -0.290 -2.329 430 H LEU 57 H LEU 57 11.541 -3.168 -5.717 431 HA LEU 57 HA LEU 57 8.969 -2.046 -5.487 432 1HB LEU 57 2HB LEU 57 8.405 -3.233 -7.483 433 2HB LEU 57 1HB LEU 57 10.032 -2.625 -7.633 434 HG LEU 57 HG LEU 57 10.639 -5.089 -6.805 435 1HD1 LEU 57 1HD1 LEU 57 8.842 -6.469 -8.281 436 2HD1 LEU 57 2HD1 LEU 57 7.791 -5.193 -7.668 437 3HD1 LEU 57 3HD1 LEU 57 8.662 -6.233 -6.542 438 1HD2 LEU 57 1HD2 LEU 57 11.456 -4.227 -8.882 439 2HD2 LEU 57 2HD2 LEU 57 9.836 -4.169 -9.576 440 3HD2 LEU 57 3HD2 LEU 57 10.618 -5.724 -9.286 441 H GLN 58 H GLN 58 10.178 -5.285 -4.702 442 HA GLN 58 HA GLN 58 7.685 -6.554 -4.335 443 1HB GLN 58 2HB GLN 58 9.926 -7.710 -4.423 444 2HB GLN 58 1HB GLN 58 10.210 -7.146 -2.776 445 1HG GLN 58 2HG GLN 58 9.312 -9.388 -2.640 446 2HG GLN 58 1HG GLN 58 8.058 -8.274 -2.099 447 1HE2 GLN 58 1HE2 GLN 58 6.120 -8.117 -3.371 448 2HE2 GLN 58 2HE2 GLN 58 5.838 -9.088 -4.734 449 H GLU 59 H GLU 59 9.730 -4.688 -2.103 450 HA GLU 59 HA GLU 59 8.170 -5.104 0.230 451 1HB GLU 59 2HB GLU 59 10.104 -2.936 -0.584 452 2HB GLU 59 1HB GLU 59 9.249 -2.886 0.958 453 1HG GLU 59 2HG GLU 59 10.125 -5.195 1.440 454 2HG GLU 59 1HG GLU 59 11.105 -5.072 -0.021 455 H MET 60 H MET 60 8.050 -2.664 -2.343 456 HA MET 60 HA MET 60 6.066 -1.004 -1.178 457 1HB MET 60 2HB MET 60 6.541 -1.458 -4.133 458 2HB MET 60 1HB MET 60 5.760 -0.064 -3.390 459 1HG MET 60 2HG MET 60 8.165 -0.141 -2.057 460 2HG MET 60 1HG MET 60 8.623 -0.682 -3.672 461 1HE MET 60 1HE MET 60 7.721 2.043 -6.046 462 2HE MET 60 2HE MET 60 7.559 0.317 -5.731 463 3HE MET 60 3HE MET 60 9.143 1.081 -5.617 464 H ILE 61 H ILE 61 5.918 -3.803 -3.317 465 HA ILE 61 HA ILE 61 3.120 -3.788 -3.775 466 HB ILE 61 HB ILE 61 5.063 -6.116 -3.778 467 1HG1 ILE 61 2HG1 ILE 61 3.910 -4.803 -6.219 468 2HG1 ILE 61 1HG1 ILE 61 5.256 -4.019 -5.388 469 1HG2 ILE 61 1HG2 ILE 61 3.382 -7.337 -5.000 470 2HG2 ILE 61 2HG2 ILE 61 2.335 -5.921 -5.086 471 3HG2 ILE 61 3HG2 ILE 61 2.613 -6.720 -3.538 472 1HD1 ILE 61 1HD1 ILE 61 5.616 -5.895 -7.294 473 2HD1 ILE 61 2HD1 ILE 61 5.533 -6.938 -5.875 474 3HD1 ILE 61 3HD1 ILE 61 6.744 -5.662 -5.961 475 H ASP 62 H ASP 62 5.127 -5.509 -1.381 476 HA ASP 62 HA ASP 62 3.092 -6.940 -0.096 477 1HB ASP 62 2HB ASP 62 5.720 -6.922 0.236 478 2HB ASP 62 1HB ASP 62 5.321 -5.801 1.537 479 H GLU 63 H GLU 63 4.100 -3.577 0.266 480 HA GLU 63 HA GLU 63 2.540 -3.088 2.636 481 1HB GLU 63 2HB GLU 63 3.981 -1.301 0.682 482 2HB GLU 63 1HB GLU 63 2.980 -0.641 1.978 483 1HG GLU 63 2HG GLU 63 4.336 -1.629 3.670 484 2HG GLU 63 1HG GLU 63 5.154 -2.676 2.510 485 H VAL 64 H VAL 64 2.162 -2.084 -0.792 486 HA VAL 64 HA VAL 64 -0.394 -0.901 -0.427 487 HB VAL 64 HB VAL 64 1.028 -0.377 -2.371 488 1HG1 VAL 64 1HG1 VAL 64 0.265 -3.091 -3.466 489 2HG1 VAL 64 2HG1 VAL 64 1.802 -2.790 -2.657 490 3HG1 VAL 64 3HG1 VAL 64 1.407 -1.931 -4.145 491 1HG2 VAL 64 1HG2 VAL 64 -1.466 -1.674 -3.455 492 2HG2 VAL 64 2HG2 VAL 64 -0.738 -0.131 -3.905 493 3HG2 VAL 64 3HG2 VAL 64 -1.581 -0.294 -2.364 494 H ASP 65 H ASP 65 0.603 -4.171 -1.385 495 HA ASP 65 HA ASP 65 -2.037 -5.125 -1.943 496 1HB ASP 65 2HB ASP 65 0.402 -6.109 -2.511 497 2HB ASP 65 1HB ASP 65 0.067 -7.039 -1.053 498 H GLU 66 H GLU 66 -3.555 -5.179 -0.424 499 HA GLU 66 HA GLU 66 -3.015 -5.330 2.383 500 1HB GLU 66 2HB GLU 66 -5.660 -5.887 1.020 501 2HB GLU 66 1HB GLU 66 -5.402 -5.401 2.694 502 1HG GLU 66 2HG GLU 66 -4.573 -3.696 0.334 503 2HG GLU 66 1HG GLU 66 -6.133 -3.535 1.139 504 H ASP 67 H ASP 67 -4.261 -7.644 -0.003 505 HA ASP 67 HA ASP 67 -4.422 -9.790 1.930 506 1HB ASP 67 2HB ASP 67 -4.873 -11.201 -0.150 507 2HB ASP 67 1HB ASP 67 -6.042 -9.934 0.213 508 H GLY 68 H GLY 68 -2.166 -8.792 -0.599 509 1HA GLY 68 2HA GLY 68 0.048 -9.364 -0.926 510 2HA GLY 68 1HA GLY 68 -0.015 -10.271 0.582 511 H SER 69 H SER 69 -1.845 -10.567 -2.457 512 HA SER 69 HA SER 69 -1.482 -13.452 -2.428 513 1HB SER 69 2HB SER 69 -2.967 -13.405 -4.424 514 2HB SER 69 1HB SER 69 -3.672 -12.606 -3.022 515 HG SER 69 HG SER 69 -2.716 -11.543 -5.421 516 H GLY 70 H GLY 70 0.485 -11.015 -3.498 517 1HA GLY 70 2HA GLY 70 2.394 -11.122 -4.812 518 2HA GLY 70 1HA GLY 70 1.956 -12.769 -5.256 519 H THR 71 H THR 71 -0.444 -10.296 -5.599 520 HA THR 71 HA THR 71 0.143 -9.823 -8.424 521 HB THR 71 HB THR 71 -2.010 -10.558 -9.213 522 HG1 THR 71 HG1 THR 71 -3.549 -11.369 -7.809 523 1HG2 THR 71 1HG2 THR 71 -0.295 -12.320 -9.008 524 2HG2 THR 71 2HG2 THR 71 -1.911 -12.974 -8.747 525 3HG2 THR 71 3HG2 THR 71 -0.850 -12.668 -7.370 526 H VAL 72 H VAL 72 -0.331 -7.762 -8.951 527 HA VAL 72 HA VAL 72 -1.579 -6.084 -6.922 528 HB VAL 72 HB VAL 72 -0.626 -5.132 -9.615 529 1HG1 VAL 72 1HG1 VAL 72 -0.806 -3.839 -6.879 530 2HG1 VAL 72 2HG1 VAL 72 -1.917 -3.564 -8.221 531 3HG1 VAL 72 3HG1 VAL 72 -0.234 -3.050 -8.350 532 1HG2 VAL 72 1HG2 VAL 72 1.005 -5.645 -7.109 533 2HG2 VAL 72 2HG2 VAL 72 1.564 -4.676 -8.473 534 3HG2 VAL 72 3HG2 VAL 72 1.236 -6.396 -8.689 535 H ASP 73 H ASP 73 -3.658 -5.698 -6.869 536 HA ASP 73 HA ASP 73 -5.399 -6.266 -9.130 537 1HB ASP 73 2HB ASP 73 -5.944 -5.154 -6.359 538 2HB ASP 73 1HB ASP 73 -7.195 -5.458 -7.561 539 H PHE 74 H PHE 74 -7.071 -4.478 -9.726 540 HA PHE 74 HA PHE 74 -5.657 -2.253 -10.727 541 1HB PHE 74 2HB PHE 74 -7.888 -3.164 -11.581 542 2HB PHE 74 1HB PHE 74 -8.639 -2.226 -10.289 543 HD1 PHE 74 HD1 PHE 74 -5.707 -1.573 -12.524 544 HD2 PHE 74 HD2 PHE 74 -9.595 -0.295 -11.214 545 HE1 PHE 74 HE1 PHE 74 -5.520 0.466 -13.929 546 HE2 PHE 74 HE2 PHE 74 -9.396 1.751 -12.610 547 HZ PHE 74 HZ PHE 74 -7.359 2.124 -13.966 548 H ASP 75 H ASP 75 -7.497 -2.709 -7.753 549 HA ASP 75 HA ASP 75 -7.574 0.028 -6.954 550 1HB ASP 75 2HB ASP 75 -8.919 -1.943 -5.978 551 2HB ASP 75 1HB ASP 75 -7.469 -2.309 -5.044 552 H GLU 76 H GLU 76 -5.351 -2.664 -6.317 553 HA GLU 76 HA GLU 76 -3.554 -1.167 -4.664 554 1HB GLU 76 2HB GLU 76 -3.022 -3.714 -6.216 555 2HB GLU 76 1HB GLU 76 -2.078 -3.095 -4.862 556 1HG GLU 76 2HG GLU 76 -3.860 -3.471 -3.318 557 2HG GLU 76 1HG GLU 76 -5.029 -3.722 -4.609 558 H PHE 77 H PHE 77 -3.909 -1.709 -8.100 559 HA PHE 77 HA PHE 77 -1.311 -0.959 -8.963 560 1HB PHE 77 2HB PHE 77 -3.434 -2.031 -10.215 561 2HB PHE 77 1HB PHE 77 -3.689 -0.351 -10.656 562 HD1 PHE 77 HD1 PHE 77 -3.389 -1.110 -12.996 563 HD2 PHE 77 HD2 PHE 77 -0.189 -1.345 -10.124 564 HE1 PHE 77 HE1 PHE 77 -1.751 -1.343 -14.827 565 HE2 PHE 77 HE2 PHE 77 1.439 -1.570 -11.970 566 HZ PHE 77 HZ PHE 77 0.658 -1.577 -14.324 567 H LEU 78 H LEU 78 -4.380 0.852 -8.847 568 HA LEU 78 HA LEU 78 -3.258 3.356 -9.605 569 1HB LEU 78 2HB LEU 78 -5.850 2.448 -8.441 570 2HB LEU 78 1HB LEU 78 -5.457 4.155 -8.366 571 HG LEU 78 HG LEU 78 -5.583 4.408 -10.692 572 1HD1 LEU 78 1HD1 LEU 78 -5.536 1.405 -11.070 573 2HD1 LEU 78 2HD1 LEU 78 -4.084 2.404 -11.146 574 3HD1 LEU 78 3HD1 LEU 78 -5.385 2.651 -12.312 575 1HD2 LEU 78 1HD2 LEU 78 -7.671 3.111 -11.366 576 2HD2 LEU 78 2HD2 LEU 78 -7.803 4.050 -9.880 577 3HD2 LEU 78 3HD2 LEU 78 -7.565 2.304 -9.802 578 H VAL 79 H VAL 79 -3.870 1.797 -6.485 579 HA VAL 79 HA VAL 79 -3.390 4.012 -4.803 580 HB VAL 79 HB VAL 79 -3.252 1.034 -4.461 581 1HG1 VAL 79 1HG1 VAL 79 -2.239 3.079 -2.466 582 2HG1 VAL 79 2HG1 VAL 79 -1.318 1.762 -3.198 583 3HG1 VAL 79 3HG1 VAL 79 -2.623 1.404 -2.063 584 1HG2 VAL 79 1HG2 VAL 79 -4.671 3.099 -2.776 585 2HG2 VAL 79 2HG2 VAL 79 -5.073 1.396 -2.995 586 3HG2 VAL 79 3HG2 VAL 79 -5.347 2.542 -4.308 587 H MET 80 H MET 80 -1.191 1.439 -5.917 588 HA MET 80 HA MET 80 1.189 2.175 -4.776 589 1HB MET 80 2HB MET 80 0.428 0.417 -6.781 590 2HB MET 80 1HB MET 80 1.561 1.498 -7.592 591 1HG MET 80 2HG MET 80 3.180 1.131 -5.726 592 2HG MET 80 1HG MET 80 2.060 -0.034 -5.023 593 1HE MET 80 1HE MET 80 3.314 0.086 -9.213 594 2HE MET 80 2HE MET 80 4.857 -0.029 -8.372 595 3HE MET 80 3HE MET 80 3.721 1.244 -7.939 596 H MET 81 H MET 81 -0.445 3.769 -7.474 597 HA MET 81 HA MET 81 1.726 5.312 -8.424 598 1HB MET 81 2HB MET 81 -0.472 5.011 -9.603 599 2HB MET 81 1HB MET 81 -1.195 6.103 -8.425 600 1HG MET 81 2HG MET 81 1.271 7.148 -9.643 601 2HG MET 81 1HG MET 81 -0.037 6.893 -10.796 602 1HE MET 81 1HE MET 81 -2.717 8.569 -10.317 603 2HE MET 81 2HE MET 81 -2.927 8.227 -8.601 604 3HE MET 81 3HE MET 81 -2.343 6.961 -9.679 605 H VAL 82 H VAL 82 -0.978 6.294 -6.301 606 HA VAL 82 HA VAL 82 0.178 8.780 -5.550 607 HB VAL 82 HB VAL 82 -1.514 8.761 -3.717 608 1HG1 VAL 82 1HG1 VAL 82 -2.091 9.568 -5.972 609 2HG1 VAL 82 2HG1 VAL 82 -3.472 8.762 -5.229 610 3HG1 VAL 82 3HG1 VAL 82 -2.518 7.926 -6.455 611 1HG2 VAL 82 1HG2 VAL 82 -3.023 6.904 -3.462 612 2HG2 VAL 82 2HG2 VAL 82 -1.391 6.237 -3.414 613 3HG2 VAL 82 3HG2 VAL 82 -2.358 6.093 -4.882 614 H ARG 83 H ARG 83 0.536 5.528 -4.338 615 HA ARG 83 HA ARG 83 1.515 6.013 -1.757 616 1HB ARG 83 2HB ARG 83 1.975 3.815 -3.755 617 2HB ARG 83 1HB ARG 83 2.850 3.831 -2.226 618 1HG ARG 83 2HG ARG 83 -0.046 4.326 -1.962 619 2HG ARG 83 1HG ARG 83 0.360 2.726 -2.584 620 1HD ARG 83 2HD ARG 83 1.408 3.979 -0.033 621 2HD ARG 83 1HD ARG 83 0.259 2.652 -0.143 622 HE ARG 83 HE ARG 83 2.315 1.574 -1.438 623 1HH1 ARG 83 2HH1 ARG 83 2.265 3.456 1.511 624 2HH1 ARG 83 1HH1 ARG 83 3.726 2.759 2.122 625 1HH2 ARG 83 1HH2 ARG 83 4.227 0.683 -0.611 626 2HH2 ARG 83 2HH2 ARG 83 4.833 1.202 0.926 627 H CYS 84 H CYS 84 3.111 6.141 -4.901 628 HA CYS 84 HA CYS 84 5.670 6.833 -3.600 629 1HB CYS 84 2HB CYS 84 5.421 5.027 -5.469 630 2HB CYS 84 1HB CYS 84 5.352 6.414 -6.555 631 HG CYS 84 HG CYS 84 7.860 5.966 -6.357 632 H MET 85 H MET 85 3.316 8.018 -5.982 633 HA MET 85 HA MET 85 4.745 10.385 -6.680 634 1HB MET 85 2HB MET 85 1.832 9.620 -6.935 635 2HB MET 85 1HB MET 85 2.473 11.157 -7.515 636 1HG MET 85 2HG MET 85 3.905 8.663 -8.328 637 2HG MET 85 1HG MET 85 2.360 9.012 -9.102 638 1HE MET 85 1HE MET 85 2.326 10.397 -11.333 639 2HE MET 85 2HE MET 85 2.736 12.094 -11.086 640 3HE MET 85 3HE MET 85 1.707 11.264 -9.921 641 H LYS 86 H LYS 86 2.217 9.686 -4.293 642 HA LYS 86 HA LYS 86 1.638 10.771 -2.350 643 1HB LYS 86 2HB LYS 86 4.221 11.464 -2.509 644 2HB LYS 86 1HB LYS 86 3.502 13.051 -2.778 645 1HG LYS 86 2HG LYS 86 3.577 13.062 -0.472 646 2HG LYS 86 1HG LYS 86 1.994 12.320 -0.704 647 1HD LYS 86 2HD LYS 86 2.738 10.214 -0.105 648 2HD LYS 86 1HD LYS 86 4.386 10.525 -0.651 649 1HE LYS 86 2HE LYS 86 4.924 11.759 1.288 650 2HE LYS 86 1HE LYS 86 3.229 12.005 1.709 651 1HZ LYS 86 1HZ LYS 86 3.031 9.642 2.159 652 2HZ LYS 86 2HZ LYS 86 4.259 10.329 3.111 653 3HZ LYS 86 3HZ LYS 86 4.659 9.400 1.745 654 H ASP 87 H ASP 87 0.017 12.171 -1.908 655 HA ASP 87 HA ASP 87 -1.167 13.608 -4.100 656 1HB ASP 87 2HB ASP 87 -2.454 12.417 -2.279 657 2HB ASP 87 1HB ASP 87 -1.969 13.709 -1.184 658 H ASP 88 H ASP 88 0.570 15.095 -4.564 659 HA ASP 88 HA ASP 88 0.165 17.690 -3.541 660 1HB ASP 88 2HB ASP 88 2.633 17.867 -2.614 661 2HB ASP 88 1HB ASP 88 1.320 17.344 -1.563 662 H SER 89 HN SER 89 0.067 17.203 -6.013 663 HA SER 89 HA SER 89 2.624 17.233 -7.382 664 1HB SER 89 2HB SER 89 0.485 16.159 -8.275 665 2HB SER 89 1HB SER 89 -0.074 17.794 -8.616 666 HG SER 89 HG SER 89 1.439 16.324 -10.126 Start of MODEL 11 1 1H MET 1 1H MET 1 -7.201 4.418 9.556 2 2H MET 1 2H MET 1 -6.189 5.449 8.662 3 3H MET 1 3H MET 1 -6.399 3.833 8.181 4 HA MET 1 HA MET 1 -8.811 4.326 7.849 5 1HB MET 1 2HB MET 1 -8.539 6.470 9.297 6 2HB MET 1 1HB MET 1 -7.936 7.212 7.815 7 1HG MET 1 2HG MET 1 -10.149 7.649 7.453 8 2HG MET 1 1HG MET 1 -10.165 5.989 6.860 9 1HE MET 1 1HE MET 1 -11.545 8.520 9.152 10 2HE MET 1 2HE MET 1 -10.240 8.027 10.228 11 3HE MET 1 3HE MET 1 -11.913 7.722 10.688 12 H ASN 2 H ASN 2 -6.187 6.511 6.754 13 HA ASN 2 HA ASN 2 -5.323 6.958 4.677 14 1HB ASN 2 2HB ASN 2 -5.944 4.033 4.560 15 2HB ASN 2 1HB ASN 2 -5.467 4.854 3.075 16 1HD2 ASN 2 1HD2 ASN 2 -4.346 5.259 6.497 17 2HD2 ASN 2 2HD2 ASN 2 -2.706 5.028 6.128 18 H ASP 3 H ASP 3 -7.995 7.758 5.137 19 HA ASP 3 HA ASP 3 -9.677 7.113 2.907 20 1HB ASP 3 2HB ASP 3 -11.103 8.952 3.696 21 2HB ASP 3 1HB ASP 3 -10.628 7.908 5.034 22 H ILE 4 H ILE 4 -7.182 9.477 3.501 23 HA ILE 4 HA ILE 4 -7.849 11.307 1.429 24 HB ILE 4 HB ILE 4 -5.515 12.107 1.643 25 1HG1 ILE 4 2HG1 ILE 4 -4.386 10.861 3.763 26 2HG1 ILE 4 1HG1 ILE 4 -5.244 9.494 3.054 27 1HG2 ILE 4 1HG2 ILE 4 -7.133 12.990 3.198 28 2HG2 ILE 4 2HG2 ILE 4 -5.658 12.654 4.104 29 3HG2 ILE 4 3HG2 ILE 4 -7.027 11.548 4.209 30 1HD1 ILE 4 1HD1 ILE 4 -3.614 11.295 1.286 31 2HD1 ILE 4 2HD1 ILE 4 -4.036 9.599 1.058 32 3HD1 ILE 4 3HD1 ILE 4 -2.810 10.048 2.241 33 H TYR 5 H TYR 5 -6.079 8.280 1.483 34 HA TYR 5 HA TYR 5 -4.776 8.500 -1.026 35 1HB TYR 5 2HB TYR 5 -5.669 6.110 0.599 36 2HB TYR 5 1HB TYR 5 -4.824 5.945 -0.940 37 HD1 TYR 5 HD1 TYR 5 -2.472 6.420 -1.138 38 HD2 TYR 5 HD2 TYR 5 -4.553 7.249 2.527 39 HE1 TYR 5 HE1 TYR 5 -0.306 6.786 0.012 40 HE2 TYR 5 HE2 TYR 5 -2.388 7.611 3.676 41 HH TYR 5 HH TYR 5 0.370 8.247 2.243 42 H LYS 6 H LYS 6 -7.978 7.333 -0.057 43 HA LYS 6 HA LYS 6 -8.759 6.459 -2.679 44 1HB LYS 6 2HB LYS 6 -9.754 5.965 -0.224 45 2HB LYS 6 1HB LYS 6 -10.843 7.261 -0.720 46 1HG LYS 6 2HG LYS 6 -11.101 5.944 -2.929 47 2HG LYS 6 1HG LYS 6 -10.377 4.593 -2.055 48 1HD LYS 6 2HD LYS 6 -12.790 6.116 -1.042 49 2HD LYS 6 1HD LYS 6 -12.913 4.652 -2.015 50 1HE LYS 6 2HE LYS 6 -12.040 3.296 -0.337 51 2HE LYS 6 1HE LYS 6 -11.166 4.625 0.425 52 1HZ LYS 6 1HZ LYS 6 -13.289 5.551 1.140 53 2HZ LYS 6 2HZ LYS 6 -13.072 3.977 1.743 54 3HZ LYS 6 3HZ LYS 6 -14.115 4.250 0.430 55 H ALA 7 H ALA 7 -9.034 9.443 -0.819 56 HA ALA 7 HA ALA 7 -10.882 10.783 -2.513 57 1HB ALA 7 1HB ALA 7 -10.419 12.714 -1.265 58 2HB ALA 7 2HB ALA 7 -8.767 12.206 -0.915 59 3HB ALA 7 3HB ALA 7 -10.122 11.409 -0.118 60 H ALA 8 H ALA 8 -7.423 10.266 -2.681 61 HA ALA 8 HA ALA 8 -6.970 12.323 -4.670 62 1HB ALA 8 1HB ALA 8 -4.689 11.448 -4.756 63 2HB ALA 8 2HB ALA 8 -5.169 10.055 -3.787 64 3HB ALA 8 3HB ALA 8 -5.190 11.671 -3.080 65 H VAL 9 H VAL 9 -7.158 8.760 -4.638 66 HA VAL 9 HA VAL 9 -6.652 8.458 -7.426 67 HB VAL 9 HB VAL 9 -6.412 6.636 -5.697 68 1HG1 VAL 9 1HG1 VAL 9 -8.435 5.352 -5.118 69 2HG1 VAL 9 2HG1 VAL 9 -9.431 6.525 -5.977 70 3HG1 VAL 9 3HG1 VAL 9 -8.551 7.008 -4.528 71 1HG2 VAL 9 1HG2 VAL 9 -6.441 6.187 -8.141 72 2HG2 VAL 9 2HG2 VAL 9 -8.193 5.999 -8.071 73 3HG2 VAL 9 3HG2 VAL 9 -7.149 4.860 -7.221 74 H GLU 10 H GLU 10 -9.569 9.112 -5.582 75 HA GLU 10 HA GLU 10 -11.344 8.516 -7.785 76 1HB GLU 10 2HB GLU 10 -13.123 9.249 -6.365 77 2HB GLU 10 1HB GLU 10 -12.007 8.331 -5.357 78 1HG GLU 10 2HG GLU 10 -10.970 10.448 -4.594 79 2HG GLU 10 1HG GLU 10 -12.120 11.355 -5.574 80 H GLN 11 H GLN 11 -9.474 11.268 -6.764 81 HA GLN 11 HA GLN 11 -11.108 13.099 -8.379 82 1HB GLN 11 2HB GLN 11 -9.789 14.893 -7.444 83 2HB GLN 11 1HB GLN 11 -10.314 13.838 -6.134 84 1HG GLN 11 2HG GLN 11 -8.143 12.766 -6.049 85 2HG GLN 11 1HG GLN 11 -7.603 13.643 -7.480 86 1HE2 GLN 11 1HE2 GLN 11 -8.452 14.034 -4.039 87 2HE2 GLN 11 2HE2 GLN 11 -7.695 15.542 -3.857 88 H LEU 12 H LEU 12 -8.820 10.902 -9.129 89 HA LEU 12 HA LEU 12 -6.950 12.435 -10.662 90 1HB LEU 12 2HB LEU 12 -7.725 9.547 -11.034 91 2HB LEU 12 1HB LEU 12 -6.279 10.325 -11.628 92 HG LEU 12 HG LEU 12 -6.963 9.786 -8.735 93 1HD1 LEU 12 1HD1 LEU 12 -6.078 7.769 -9.222 94 2HD1 LEU 12 2HD1 LEU 12 -4.537 8.595 -9.444 95 3HD1 LEU 12 3HD1 LEU 12 -5.586 8.298 -10.831 96 1HD2 LEU 12 1HD2 LEU 12 -5.709 11.879 -8.965 97 2HD2 LEU 12 2HD2 LEU 12 -4.532 11.082 -10.011 98 3HD2 LEU 12 3HD2 LEU 12 -4.656 10.625 -8.312 99 H THR 13 H THR 13 -6.699 11.903 -13.066 100 HA THR 13 HA THR 13 -9.207 12.607 -14.411 101 HB THR 13 HB THR 13 -7.300 12.538 -16.382 102 HG1 THR 13 HG1 THR 13 -5.584 12.175 -15.072 103 1HG2 THR 13 1HG2 THR 13 -7.069 15.090 -15.590 104 2HG2 THR 13 2HG2 THR 13 -8.459 14.620 -14.611 105 3HG2 THR 13 3HG2 THR 13 -8.522 14.462 -16.368 106 H ASP 14 H ASP 14 -9.364 11.614 -16.718 107 HA ASP 14 HA ASP 14 -9.727 8.788 -16.412 108 1HB ASP 14 2HB ASP 14 -9.891 10.610 -18.825 109 2HB ASP 14 1HB ASP 14 -10.237 8.882 -18.893 110 H GLU 15 H GLU 15 -7.258 10.879 -17.743 111 HA GLU 15 HA GLU 15 -5.814 8.862 -19.172 112 1HB GLU 15 2HB GLU 15 -4.118 10.514 -19.459 113 2HB GLU 15 1HB GLU 15 -5.659 11.365 -19.536 114 1HG GLU 15 2HG GLU 15 -5.232 11.594 -16.907 115 2HG GLU 15 1HG GLU 15 -3.553 11.447 -17.421 116 H GLN 16 H GLN 16 -5.793 10.049 -15.862 117 HA GLN 16 HA GLN 16 -3.335 8.829 -15.060 118 1HB GLN 16 2HB GLN 16 -4.892 10.669 -13.888 119 2HB GLN 16 1HB GLN 16 -5.501 9.238 -13.058 120 1HG GLN 16 2HG GLN 16 -3.730 9.770 -11.667 121 2HG GLN 16 1HG GLN 16 -2.903 8.709 -12.808 122 1HE2 GLN 16 1HE2 GLN 16 -3.501 12.157 -12.052 123 2HE2 GLN 16 2HE2 GLN 16 -2.145 12.736 -12.892 124 H LYS 17 H LYS 17 -6.760 7.914 -14.600 125 HA LYS 17 HA LYS 17 -6.283 5.439 -13.326 126 1HB LYS 17 2HB LYS 17 -8.600 6.473 -14.964 127 2HB LYS 17 1HB LYS 17 -8.601 4.853 -14.265 128 1HG LYS 17 2HG LYS 17 -8.745 5.633 -12.101 129 2HG LYS 17 1HG LYS 17 -7.874 7.124 -12.467 130 1HD LYS 17 2HD LYS 17 -9.971 7.705 -13.912 131 2HD LYS 17 1HD LYS 17 -10.775 6.469 -12.943 132 1HE LYS 17 2HE LYS 17 -9.152 8.500 -11.482 133 2HE LYS 17 1HE LYS 17 -10.682 9.037 -12.171 134 1HZ LYS 17 1HZ LYS 17 -10.977 8.224 -9.923 135 2HZ LYS 17 2HZ LYS 17 -10.314 6.719 -10.348 136 3HZ LYS 17 3HZ LYS 17 -11.792 7.220 -11.021 137 H ASN 18 H ASN 18 -6.680 6.288 -16.757 138 HA ASN 18 HA ASN 18 -6.465 3.609 -17.733 139 1HB ASN 18 2HB ASN 18 -6.490 6.326 -18.945 140 2HB ASN 18 1HB ASN 18 -5.772 5.026 -19.894 141 1HD2 ASN 18 1HD2 ASN 18 -8.795 6.123 -18.378 142 2HD2 ASN 18 2HD2 ASN 18 -9.799 5.028 -19.201 143 H GLU 19 H GLU 19 -4.133 6.000 -16.747 144 HA GLU 19 HA GLU 19 -1.883 5.265 -18.239 145 1HB GLU 19 2HB GLU 19 -1.994 7.214 -16.664 146 2HB GLU 19 1HB GLU 19 -1.884 6.078 -15.320 147 1HG GLU 19 2HG GLU 19 0.255 5.203 -16.411 148 2HG GLU 19 1HG GLU 19 0.182 6.617 -17.463 149 H PHE 20 H PHE 20 -3.011 4.011 -15.090 150 HA PHE 20 HA PHE 20 -1.002 1.936 -15.013 151 1HB PHE 20 2HB PHE 20 -3.362 2.679 -13.317 152 2HB PHE 20 1HB PHE 20 -2.604 1.101 -13.122 153 HD1 PHE 20 HD1 PHE 20 -2.041 4.760 -12.952 154 HD2 PHE 20 HD2 PHE 20 -0.421 0.867 -12.135 155 HE1 PHE 20 HE1 PHE 20 -0.252 5.790 -11.583 156 HE2 PHE 20 HE2 PHE 20 1.357 1.893 -10.756 157 HZ PHE 20 HZ PHE 20 1.447 4.358 -10.480 158 H LYS 21 H LYS 21 -4.505 2.105 -15.621 159 HA LYS 21 HA LYS 21 -5.076 -0.601 -15.907 160 1HB LYS 21 2HB LYS 21 -6.690 1.381 -15.951 161 2HB LYS 21 1HB LYS 21 -6.305 1.516 -17.665 162 1HG LYS 21 2HG LYS 21 -6.814 -1.227 -17.183 163 2HG LYS 21 1HG LYS 21 -8.089 -0.335 -16.353 164 1HD LYS 21 2HD LYS 21 -8.123 1.049 -18.624 165 2HD LYS 21 1HD LYS 21 -7.442 -0.441 -19.271 166 1HE LYS 21 2HE LYS 21 -9.927 -0.423 -17.553 167 2HE LYS 21 1HE LYS 21 -9.996 -0.264 -19.306 168 1HZ LYS 21 1HZ LYS 21 -10.229 -2.541 -18.849 169 2HZ LYS 21 2HZ LYS 21 -8.959 -2.542 -17.723 170 3HZ LYS 21 3HZ LYS 21 -8.628 -2.361 -19.380 171 H ALA 22 H ALA 22 -3.669 1.640 -18.271 172 HA ALA 22 HA ALA 22 -3.798 0.023 -20.566 173 1HB ALA 22 1HB ALA 22 -3.097 2.337 -20.745 174 2HB ALA 22 2HB ALA 22 -1.787 1.311 -21.327 175 3HB ALA 22 3HB ALA 22 -1.694 2.031 -19.720 176 H ALA 23 H ALA 23 -1.188 0.350 -18.154 177 HA ALA 23 HA ALA 23 0.468 -1.714 -19.188 178 1HB ALA 23 1HB ALA 23 0.278 -0.651 -16.350 179 2HB ALA 23 2HB ALA 23 1.315 -0.001 -17.622 180 3HB ALA 23 3HB ALA 23 1.597 -1.626 -16.999 181 H PHE 24 H PHE 24 -2.229 -1.636 -16.942 182 HA PHE 24 HA PHE 24 -1.973 -4.224 -15.833 183 1HB PHE 24 2HB PHE 24 -3.585 -2.184 -15.266 184 2HB PHE 24 1HB PHE 24 -4.680 -3.054 -16.338 185 HD1 PHE 24 HD1 PHE 24 -4.901 -5.648 -15.880 186 HD2 PHE 24 HD2 PHE 24 -3.489 -2.778 -13.019 187 HE1 PHE 24 HE1 PHE 24 -5.455 -7.210 -14.033 188 HE2 PHE 24 HE2 PHE 24 -4.038 -4.336 -11.179 189 HZ PHE 24 HZ PHE 24 -5.032 -6.541 -11.685 190 H ASP 25 H ASP 25 -3.662 -3.019 -18.724 191 HA ASP 25 HA ASP 25 -4.918 -5.468 -19.419 192 1HB ASP 25 2HB ASP 25 -4.142 -3.126 -21.176 193 2HB ASP 25 1HB ASP 25 -5.207 -4.443 -21.657 194 H ILE 26 H ILE 26 -1.785 -4.053 -20.373 195 HA ILE 26 HA ILE 26 -1.201 -6.076 -22.306 196 HB ILE 26 HB ILE 26 1.140 -5.222 -22.207 197 1HG1 ILE 26 2HG1 ILE 26 0.021 -3.310 -20.130 198 2HG1 ILE 26 1HG1 ILE 26 1.118 -4.640 -19.769 199 1HG2 ILE 26 1HG2 ILE 26 0.594 -3.006 -23.098 200 2HG2 ILE 26 2HG2 ILE 26 -0.994 -3.070 -22.337 201 3HG2 ILE 26 3HG2 ILE 26 -0.599 -4.183 -23.646 202 1HD1 ILE 26 1HD1 ILE 26 1.698 -2.006 -20.906 203 2HD1 ILE 26 2HD1 ILE 26 2.400 -3.325 -21.843 204 3HD1 ILE 26 3HD1 ILE 26 2.784 -3.158 -20.131 205 H PHE 27 H PHE 27 -0.367 -5.710 -18.860 206 HA PHE 27 HA PHE 27 1.230 -8.129 -18.847 207 1HB PHE 27 2HB PHE 27 0.152 -6.519 -16.513 208 2HB PHE 27 1HB PHE 27 1.358 -7.802 -16.415 209 HD1 PHE 27 HD1 PHE 27 3.064 -7.296 -18.752 210 HD2 PHE 27 HD2 PHE 27 1.274 -4.513 -16.008 211 HE1 PHE 27 HE1 PHE 27 4.836 -5.645 -19.273 212 HE2 PHE 27 HE2 PHE 27 3.049 -2.861 -16.538 213 HZ PHE 27 HZ PHE 27 4.827 -3.428 -18.166 214 H ILE 28 H ILE 28 -2.025 -7.169 -17.822 215 HA ILE 28 HA ILE 28 -2.682 -10.014 -17.366 216 HB ILE 28 HB ILE 28 -3.886 -7.476 -16.239 217 1HG1 ILE 28 2HG1 ILE 28 -1.883 -8.419 -15.127 218 2HG1 ILE 28 1HG1 ILE 28 -3.312 -8.527 -14.099 219 1HG2 ILE 28 1HG2 ILE 28 -5.223 -9.556 -15.023 220 2HG2 ILE 28 2HG2 ILE 28 -5.138 -10.095 -16.701 221 3HG2 ILE 28 3HG2 ILE 28 -5.880 -8.545 -16.310 222 1HD1 ILE 28 1HD1 ILE 28 -1.689 -10.629 -14.497 223 2HD1 ILE 28 2HD1 ILE 28 -2.746 -10.849 -15.890 224 3HD1 ILE 28 3HD1 ILE 28 -3.426 -10.825 -14.264 225 H GLN 29 H GLN 29 -2.602 -9.848 -19.815 226 HA GLN 29 HA GLN 29 -4.884 -8.615 -21.093 227 1HB GLN 29 2HB GLN 29 -2.640 -8.806 -22.194 228 2HB GLN 29 1HB GLN 29 -2.878 -10.551 -22.269 229 1HG GLN 29 2HG GLN 29 -3.541 -9.539 -24.391 230 2HG GLN 29 1HG GLN 29 -4.961 -10.185 -23.570 231 1HE2 GLN 29 1HE2 GLN 29 -3.140 -7.092 -23.962 232 2HE2 GLN 29 2HE2 GLN 29 -4.512 -6.103 -23.825 233 H ASP 30 H ASP 30 -3.736 -11.952 -20.625 234 HA ASP 30 HA ASP 30 -6.518 -12.878 -21.045 235 1HB ASP 30 2HB ASP 30 -5.431 -15.087 -21.681 236 2HB ASP 30 1HB ASP 30 -5.202 -13.767 -22.824 237 H ALA 31 H ALA 31 -5.524 -11.977 -18.509 238 HA ALA 31 HA ALA 31 -4.917 -14.356 -16.945 239 1HB ALA 31 1HB ALA 31 -5.682 -11.717 -15.739 240 2HB ALA 31 2HB ALA 31 -4.101 -11.918 -16.493 241 3HB ALA 31 3HB ALA 31 -4.563 -12.938 -15.132 242 H GLU 32 H GLU 32 -6.224 -15.132 -15.240 243 HA GLU 32 HA GLU 32 -9.116 -14.588 -15.592 244 1HB GLU 32 2HB GLU 32 -7.752 -17.188 -14.836 245 2HB GLU 32 1HB GLU 32 -9.497 -16.933 -14.849 246 1HG GLU 32 2HG GLU 32 -7.844 -16.345 -17.301 247 2HG GLU 32 1HG GLU 32 -8.391 -17.985 -16.959 248 H ASP 33 H ASP 33 -7.564 -13.029 -13.877 249 HA ASP 33 HA ASP 33 -8.788 -13.715 -11.299 250 1HB ASP 33 2HB ASP 33 -6.225 -14.428 -11.592 251 2HB ASP 33 1HB ASP 33 -5.980 -12.735 -11.163 252 H GLY 34 H GLY 34 -6.757 -11.337 -13.033 253 1HA GLY 34 2HA GLY 34 -7.423 -9.081 -13.430 254 2HA GLY 34 1HA GLY 34 -8.521 -9.188 -12.058 255 H CYS 35 H CYS 35 -5.084 -10.060 -12.298 256 HA CYS 35 HA CYS 35 -4.239 -7.775 -10.716 257 1HB CYS 35 2HB CYS 35 -3.160 -9.290 -8.988 258 2HB CYS 35 1HB CYS 35 -4.907 -9.114 -8.872 259 HG CYS 35 HG CYS 35 -3.788 -11.580 -10.410 260 H ILE 36 H ILE 36 -2.195 -7.229 -11.212 261 HA ILE 36 HA ILE 36 -0.786 -8.829 -13.177 262 HB ILE 36 HB ILE 36 0.788 -7.026 -13.335 263 1HG1 ILE 36 2HG1 ILE 36 0.037 -5.067 -11.516 264 2HG1 ILE 36 1HG1 ILE 36 -0.044 -6.549 -10.563 265 1HG2 ILE 36 1HG2 ILE 36 -0.932 -4.994 -13.300 266 2HG2 ILE 36 2HG2 ILE 36 -2.102 -6.298 -13.096 267 3HG2 ILE 36 3HG2 ILE 36 -1.047 -6.272 -14.509 268 1HD1 ILE 36 1HD1 ILE 36 2.324 -6.428 -12.293 269 2HD1 ILE 36 2HD1 ILE 36 2.210 -6.804 -10.571 270 3HD1 ILE 36 3HD1 ILE 36 2.267 -5.123 -11.108 271 H SER 37 H SER 37 1.748 -8.916 -12.791 272 HA SER 37 HA SER 37 2.074 -10.543 -10.382 273 1HB SER 37 2HB SER 37 2.934 -10.941 -12.930 274 2HB SER 37 1HB SER 37 4.367 -10.209 -12.218 275 HG SER 37 HG SER 37 3.260 -12.669 -11.816 276 H THR 38 H THR 38 2.695 -9.552 -8.580 277 HA THR 38 HA THR 38 3.822 -7.002 -8.336 278 HB THR 38 HB THR 38 4.496 -7.690 -6.046 279 HG1 THR 38 HG1 THR 38 4.721 -9.719 -5.595 280 1HG2 THR 38 1HG2 THR 38 2.148 -8.542 -5.375 281 2HG2 THR 38 2HG2 THR 38 1.766 -8.408 -7.092 282 3HG2 THR 38 3HG2 THR 38 2.256 -6.978 -6.183 283 H LYS 39 H LYS 39 5.370 -10.181 -8.578 284 HA LYS 39 HA LYS 39 8.041 -9.373 -8.138 285 1HB LYS 39 2HB LYS 39 8.667 -11.428 -9.411 286 2HB LYS 39 1HB LYS 39 7.472 -11.736 -8.152 287 1HG LYS 39 2HG LYS 39 5.842 -11.161 -10.268 288 2HG LYS 39 1HG LYS 39 7.202 -11.916 -11.095 289 1HD LYS 39 2HD LYS 39 5.815 -13.742 -10.562 290 2HD LYS 39 1HD LYS 39 7.014 -13.754 -9.270 291 1HE LYS 39 2HE LYS 39 5.392 -12.350 -7.902 292 2HE LYS 39 1HE LYS 39 4.187 -12.675 -9.148 293 1HZ LYS 39 1HZ LYS 39 5.627 -14.700 -7.521 294 2HZ LYS 39 2HZ LYS 39 4.550 -15.060 -8.784 295 3HZ LYS 39 3HZ LYS 39 3.990 -14.277 -7.384 296 H GLU 40 H GLU 40 5.948 -9.156 -10.939 297 HA GLU 40 HA GLU 40 8.157 -8.165 -12.616 298 1HB GLU 40 2HB GLU 40 5.328 -8.999 -13.303 299 2HB GLU 40 1HB GLU 40 6.470 -8.322 -14.464 300 1HG GLU 40 2HG GLU 40 8.070 -10.202 -13.699 301 2HG GLU 40 1HG GLU 40 6.640 -10.948 -12.985 302 H LEU 41 H LEU 41 6.720 -6.682 -10.352 303 HA LEU 41 HA LEU 41 5.047 -4.673 -11.385 304 1HB LEU 41 2HB LEU 41 5.663 -5.273 -8.928 305 2HB LEU 41 1HB LEU 41 6.987 -4.156 -9.154 306 HG LEU 41 HG LEU 41 4.916 -3.237 -8.021 307 1HD1 LEU 41 1HD1 LEU 41 6.741 -2.009 -9.577 308 2HD1 LEU 41 2HD1 LEU 41 5.408 -1.145 -8.813 309 3HD1 LEU 41 3HD1 LEU 41 5.286 -1.637 -10.501 310 1HD2 LEU 41 1HD2 LEU 41 3.811 -3.352 -10.846 311 2HD2 LEU 41 2HD2 LEU 41 3.011 -2.658 -9.436 312 3HD2 LEU 41 3HD2 LEU 41 3.290 -4.397 -9.524 313 H GLY 42 H GLY 42 8.546 -5.021 -11.380 314 1HA GLY 42 2HA GLY 42 9.326 -2.384 -11.931 315 2HA GLY 42 1HA GLY 42 10.212 -3.823 -12.424 316 H LYS 43 H LYS 43 8.139 -4.953 -14.058 317 HA LYS 43 HA LYS 43 8.681 -3.745 -16.548 318 1HB LYS 43 2HB LYS 43 7.597 -6.132 -15.735 319 2HB LYS 43 1HB LYS 43 6.187 -5.304 -16.399 320 1HG LYS 43 2HG LYS 43 7.011 -5.317 -18.522 321 2HG LYS 43 1HG LYS 43 8.677 -5.102 -17.995 322 1HD LYS 43 2HD LYS 43 8.876 -7.296 -18.601 323 2HD LYS 43 1HD LYS 43 8.182 -7.586 -17.007 324 1HE LYS 43 2HE LYS 43 6.763 -8.848 -18.358 325 2HE LYS 43 1HE LYS 43 5.889 -7.320 -18.272 326 1HZ LYS 43 1HZ LYS 43 6.097 -8.201 -20.548 327 2HZ LYS 43 2HZ LYS 43 7.786 -8.050 -20.438 328 3HZ LYS 43 3HZ LYS 43 6.800 -6.668 -20.373 329 H VAL 44 H VAL 44 6.022 -3.405 -14.283 330 HA VAL 44 HA VAL 44 4.487 -1.699 -16.066 331 HB VAL 44 HB VAL 44 2.717 -2.037 -14.691 332 1HG1 VAL 44 1HG1 VAL 44 3.995 -4.290 -14.818 333 2HG1 VAL 44 2HG1 VAL 44 2.704 -4.133 -13.627 334 3HG1 VAL 44 3HG1 VAL 44 4.390 -3.993 -13.125 335 1HG2 VAL 44 1HG2 VAL 44 4.654 -1.417 -12.474 336 2HG2 VAL 44 2HG2 VAL 44 3.088 -2.126 -12.094 337 3HG2 VAL 44 3HG2 VAL 44 3.170 -0.573 -12.925 338 H MET 45 H MET 45 6.654 -1.403 -13.318 339 HA MET 45 HA MET 45 6.202 1.306 -12.680 340 1HB MET 45 2HB MET 45 7.690 -0.565 -11.515 341 2HB MET 45 1HB MET 45 8.963 0.177 -12.486 342 1HG MET 45 2HG MET 45 9.032 1.429 -10.502 343 2HG MET 45 1HG MET 45 8.039 2.429 -11.559 344 1HE MET 45 1HE MET 45 7.124 2.008 -7.564 345 2HE MET 45 2HE MET 45 8.588 2.140 -8.534 346 3HE MET 45 3HE MET 45 8.027 0.554 -8.011 347 H ARG 46 H ARG 46 8.144 -0.264 -15.180 348 HA ARG 46 HA ARG 46 9.680 1.986 -15.973 349 1HB ARG 46 2HB ARG 46 8.688 -0.267 -17.741 350 2HB ARG 46 1HB ARG 46 10.022 0.831 -18.092 351 1HG ARG 46 2HG ARG 46 10.781 -0.115 -15.651 352 2HG ARG 46 1HG ARG 46 9.937 -1.519 -16.303 353 1HD ARG 46 2HD ARG 46 11.379 -0.782 -18.478 354 2HD ARG 46 1HD ARG 46 12.458 -0.250 -17.194 355 HE ARG 46 HE ARG 46 11.506 -2.927 -16.763 356 1HH1 ARG 46 2HH1 ARG 46 13.813 -0.978 -18.515 357 2HH1 ARG 46 1HH1 ARG 46 14.957 -2.263 -18.691 358 1HH2 ARG 46 1HH2 ARG 46 13.017 -4.601 -17.007 359 2HH2 ARG 46 2HH2 ARG 46 14.508 -4.311 -17.840 360 H MET 47 H MET 47 6.443 0.862 -16.845 361 HA MET 47 HA MET 47 5.948 2.771 -18.908 362 1HB MET 47 2HB MET 47 4.158 1.073 -17.168 363 2HB MET 47 1HB MET 47 3.491 2.242 -18.308 364 1HG MET 47 2HG MET 47 5.524 0.169 -19.151 365 2HG MET 47 1HG MET 47 3.791 -0.159 -19.169 366 1HE MET 47 1HE MET 47 6.288 0.245 -21.630 367 2HE MET 47 2HE MET 47 6.776 1.538 -20.538 368 3HE MET 47 3HE MET 47 6.307 1.923 -22.192 369 H LEU 48 H LEU 48 5.559 2.759 -15.403 370 HA LEU 48 HA LEU 48 4.041 5.157 -15.160 371 1HB LEU 48 2HB LEU 48 5.697 3.475 -13.340 372 2HB LEU 48 1HB LEU 48 5.323 5.103 -12.829 373 HG LEU 48 HG LEU 48 2.908 4.585 -13.003 374 1HD1 LEU 48 1HD1 LEU 48 3.756 1.713 -13.437 375 2HD1 LEU 48 2HD1 LEU 48 3.290 2.767 -14.772 376 3HD1 LEU 48 3HD1 LEU 48 2.127 2.382 -13.504 377 1HD2 LEU 48 1HD2 LEU 48 4.838 3.228 -11.228 378 2HD2 LEU 48 2HD2 LEU 48 3.232 2.500 -11.247 379 3HD2 LEU 48 3HD2 LEU 48 3.425 4.200 -10.818 380 H GLY 49 H GLY 49 7.469 4.425 -15.409 381 1HA GLY 49 2HA GLY 49 8.784 6.248 -16.524 382 2HA GLY 49 1HA GLY 49 8.105 7.317 -15.305 383 H GLN 50 H GLN 50 8.793 4.211 -14.034 384 HA GLN 50 HA GLN 50 11.427 5.132 -13.035 385 1HB GLN 50 2HB GLN 50 9.617 3.389 -11.384 386 2HB GLN 50 1HB GLN 50 10.968 4.387 -10.859 387 1HG GLN 50 2HG GLN 50 8.393 5.515 -11.994 388 2HG GLN 50 1HG GLN 50 8.696 5.317 -10.270 389 1HE2 GLN 50 1HE2 GLN 50 8.624 7.725 -12.414 390 2HE2 GLN 50 2HE2 GLN 50 9.929 8.676 -11.887 391 H ASN 51 H ASN 51 13.038 3.610 -12.898 392 HA ASN 51 HA ASN 51 12.380 0.887 -13.883 393 1HB ASN 51 2HB ASN 51 14.646 2.735 -14.614 394 2HB ASN 51 1HB ASN 51 14.822 0.989 -14.774 395 1HD2 ASN 51 1HD2 ASN 51 14.914 1.242 -17.150 396 2HD2 ASN 51 2HD2 ASN 51 13.497 1.542 -18.035 397 HA PRO 52 HA PRO 52 14.709 0.634 -9.845 398 1HB PRO 52 2HB PRO 52 12.742 -0.529 -8.346 399 2HB PRO 52 1HB PRO 52 12.927 1.221 -8.532 400 1HG PRO 52 2HG PRO 52 10.909 -0.589 -9.698 401 2HG PRO 52 1HG PRO 52 10.808 1.146 -9.367 402 1HD PRO 52 2HD PRO 52 11.280 -0.087 -11.899 403 2HD PRO 52 1HD PRO 52 11.362 1.649 -11.520 404 H THR 53 H THR 53 14.269 -1.603 -8.242 405 HA THR 53 HA THR 53 14.894 -3.843 -10.076 406 HB THR 53 HB THR 53 16.365 -4.699 -8.452 407 HG1 THR 53 HG1 THR 53 16.023 -4.500 -6.375 408 1HG2 THR 53 1HG2 THR 53 16.434 -1.689 -8.181 409 2HG2 THR 53 2HG2 THR 53 17.316 -2.663 -9.358 410 3HG2 THR 53 3HG2 THR 53 17.723 -2.763 -7.644 411 HA PRO 54 HA PRO 54 11.451 -6.100 -8.478 412 1HB PRO 54 2HB PRO 54 12.445 -8.606 -7.973 413 2HB PRO 54 1HB PRO 54 12.127 -7.972 -9.595 414 1HG PRO 54 2HG PRO 54 14.717 -8.330 -8.185 415 2HG PRO 54 1HG PRO 54 14.355 -8.402 -9.916 416 1HD PRO 54 2HD PRO 54 15.539 -6.232 -8.603 417 2HD PRO 54 1HD PRO 54 14.773 -6.165 -10.206 418 H GLU 55 H GLU 55 14.322 -6.077 -6.481 419 HA GLU 55 HA GLU 55 12.986 -6.997 -4.077 420 1HB GLU 55 2HB GLU 55 15.695 -5.679 -4.430 421 2HB GLU 55 1HB GLU 55 15.105 -6.445 -2.955 422 1HG GLU 55 2HG GLU 55 14.719 -8.516 -4.560 423 2HG GLU 55 1HG GLU 55 15.942 -7.711 -5.543 424 H GLU 56 H GLU 56 13.988 -3.914 -5.535 425 HA GLU 56 HA GLU 56 13.376 -2.268 -3.289 426 1HB GLU 56 2HB GLU 56 13.741 -1.746 -6.231 427 2HB GLU 56 1HB GLU 56 13.191 -0.465 -5.153 428 1HG GLU 56 2HG GLU 56 15.200 -1.060 -3.671 429 2HG GLU 56 1HG GLU 56 15.791 -2.004 -5.039 430 H LEU 57 H LEU 57 11.563 -2.927 -6.309 431 HA LEU 57 HA LEU 57 9.253 -1.473 -5.622 432 1HB LEU 57 2HB LEU 57 8.135 -2.725 -7.368 433 2HB LEU 57 1HB LEU 57 9.710 -2.188 -7.897 434 HG LEU 57 HG LEU 57 10.427 -4.628 -7.137 435 1HD1 LEU 57 1HD1 LEU 57 8.150 -5.878 -8.137 436 2HD1 LEU 57 2HD1 LEU 57 7.504 -4.659 -7.039 437 3HD1 LEU 57 3HD1 LEU 57 8.656 -5.855 -6.448 438 1HD2 LEU 57 1HD2 LEU 57 9.088 -3.672 -9.653 439 2HD2 LEU 57 2HD2 LEU 57 9.600 -5.354 -9.525 440 3HD2 LEU 57 3HD2 LEU 57 10.786 -4.058 -9.379 441 H GLN 58 H GLN 58 10.253 -4.754 -4.801 442 HA GLN 58 HA GLN 58 7.797 -5.847 -4.038 443 1HB GLN 58 2HB GLN 58 10.601 -6.474 -3.589 444 2HB GLN 58 1HB GLN 58 9.610 -6.865 -2.184 445 1HG GLN 58 2HG GLN 58 8.997 -7.731 -5.028 446 2HG GLN 58 1HG GLN 58 9.741 -8.756 -3.802 447 1HE2 GLN 58 1HE2 GLN 58 6.720 -7.700 -5.064 448 2HE2 GLN 58 2HE2 GLN 58 5.733 -8.320 -3.830 449 H GLU 59 H GLU 59 9.937 -3.651 -2.272 450 HA GLU 59 HA GLU 59 8.694 -3.857 0.269 451 1HB GLU 59 2HB GLU 59 10.448 -1.844 -1.074 452 2HB GLU 59 1HB GLU 59 9.578 -1.347 0.379 453 1HG GLU 59 2HG GLU 59 11.101 -3.944 0.350 454 2HG GLU 59 1HG GLU 59 11.949 -2.424 0.633 455 H MET 60 H MET 60 8.079 -1.784 -2.539 456 HA MET 60 HA MET 60 6.007 -0.230 -1.337 457 1HB MET 60 2HB MET 60 6.406 -0.823 -4.280 458 2HB MET 60 1HB MET 60 5.486 0.514 -3.589 459 1HG MET 60 2HG MET 60 8.411 0.133 -2.956 460 2HG MET 60 1HG MET 60 7.892 1.014 -4.391 461 1HE MET 60 1HE MET 60 6.151 4.089 -3.253 462 2HE MET 60 2HE MET 60 5.914 2.664 -4.263 463 3HE MET 60 3HE MET 60 7.434 3.552 -4.345 464 H ILE 61 H ILE 61 6.112 -3.197 -3.222 465 HA ILE 61 HA ILE 61 3.346 -3.572 -3.634 466 HB ILE 61 HB ILE 61 5.609 -5.567 -3.389 467 1HG1 ILE 61 2HG1 ILE 61 5.733 -4.034 -5.316 468 2HG1 ILE 61 1HG1 ILE 61 5.375 -5.674 -5.848 469 1HG2 ILE 61 1HG2 ILE 61 2.755 -6.030 -4.313 470 2HG2 ILE 61 2HG2 ILE 61 3.460 -6.646 -2.819 471 3HG2 ILE 61 3HG2 ILE 61 4.062 -7.211 -4.374 472 1HD1 ILE 61 1HD1 ILE 61 3.755 -3.244 -6.080 473 2HD1 ILE 61 2HD1 ILE 61 2.856 -4.601 -5.403 474 3HD1 ILE 61 3HD1 ILE 61 3.639 -4.758 -6.975 475 H ASP 62 H ASP 62 5.493 -4.890 -1.095 476 HA ASP 62 HA ASP 62 3.571 -6.273 0.386 477 1HB ASP 62 2HB ASP 62 6.265 -5.793 0.661 478 2HB ASP 62 1HB ASP 62 5.589 -4.916 2.033 479 H GLU 63 H GLU 63 4.450 -2.848 0.441 480 HA GLU 63 HA GLU 63 2.865 -2.186 2.740 481 1HB GLU 63 2HB GLU 63 4.153 -0.524 0.575 482 2HB GLU 63 1HB GLU 63 3.204 0.188 1.878 483 1HG GLU 63 2HG GLU 63 5.429 -1.743 2.501 484 2HG GLU 63 1HG GLU 63 5.783 -0.042 2.199 485 H VAL 64 H VAL 64 2.368 -1.794 -0.782 486 HA VAL 64 HA VAL 64 -0.222 -0.591 -0.465 487 HB VAL 64 HB VAL 64 1.210 -0.155 -2.439 488 1HG1 VAL 64 1HG1 VAL 64 0.424 -2.908 -3.410 489 2HG1 VAL 64 2HG1 VAL 64 1.958 -2.604 -2.597 490 3HG1 VAL 64 3HG1 VAL 64 1.593 -1.793 -4.118 491 1HG2 VAL 64 1HG2 VAL 64 -1.427 -0.138 -2.364 492 2HG2 VAL 64 2HG2 VAL 64 -1.268 -1.499 -3.474 493 3HG2 VAL 64 3HG2 VAL 64 -0.589 0.071 -3.901 494 H ASP 65 H ASP 65 0.904 -3.890 -1.153 495 HA ASP 65 HA ASP 65 -1.721 -4.931 -1.664 496 1HB ASP 65 2HB ASP 65 0.883 -5.878 -1.992 497 2HB ASP 65 1HB ASP 65 0.207 -6.911 -0.738 498 H GLU 66 H GLU 66 -3.206 -4.851 -0.118 499 HA GLU 66 HA GLU 66 -2.685 -4.861 2.680 500 1HB GLU 66 2HB GLU 66 -5.280 -5.582 1.290 501 2HB GLU 66 1HB GLU 66 -5.090 -5.052 2.960 502 1HG GLU 66 2HG GLU 66 -4.125 -2.895 2.086 503 2HG GLU 66 1HG GLU 66 -4.547 -3.430 0.460 504 H ASP 67 H ASP 67 -3.896 -7.334 0.449 505 HA ASP 67 HA ASP 67 -3.942 -9.394 2.472 506 1HB ASP 67 2HB ASP 67 -4.385 -10.907 0.470 507 2HB ASP 67 1HB ASP 67 -5.575 -9.638 0.758 508 H GLY 68 H GLY 68 -1.796 -8.471 -0.198 509 1HA GLY 68 2HA GLY 68 0.445 -8.951 -0.525 510 2HA GLY 68 1HA GLY 68 0.451 -9.783 1.027 511 H SER 69 H SER 69 -1.477 -10.329 -1.910 512 HA SER 69 HA SER 69 -1.034 -13.185 -1.765 513 1HB SER 69 2HB SER 69 -2.447 -13.235 -3.830 514 2HB SER 69 1HB SER 69 -3.215 -12.431 -2.464 515 HG SER 69 HG SER 69 -3.333 -10.733 -3.684 516 H GLY 70 H GLY 70 0.627 -10.582 -3.244 517 1HA GLY 70 2HA GLY 70 2.689 -10.802 -4.371 518 2HA GLY 70 1HA GLY 70 2.268 -12.464 -4.780 519 H THR 71 H THR 71 -0.222 -10.132 -5.228 520 HA THR 71 HA THR 71 0.426 -9.685 -8.049 521 HB THR 71 HB THR 71 -1.759 -10.433 -8.812 522 HG1 THR 71 HG1 THR 71 -2.193 -11.246 -6.125 523 1HG2 THR 71 1HG2 THR 71 0.040 -12.111 -8.716 524 2HG2 THR 71 2HG2 THR 71 -1.529 -12.855 -8.400 525 3HG2 THR 71 3HG2 THR 71 -0.426 -12.519 -7.064 526 H VAL 72 H VAL 72 -0.175 -7.685 -8.718 527 HA VAL 72 HA VAL 72 -1.542 -5.985 -6.752 528 HB VAL 72 HB VAL 72 -0.420 -4.997 -9.362 529 1HG1 VAL 72 1HG1 VAL 72 -0.302 -2.916 -8.220 530 2HG1 VAL 72 2HG1 VAL 72 -0.479 -3.682 -6.641 531 3HG1 VAL 72 3HG1 VAL 72 -1.853 -3.607 -7.745 532 1HG2 VAL 72 1HG2 VAL 72 1.392 -6.301 -8.336 533 2HG2 VAL 72 2HG2 VAL 72 1.110 -5.504 -6.786 534 3HG2 VAL 72 3HG2 VAL 72 1.721 -4.575 -8.157 535 H ASP 73 H ASP 73 -3.653 -5.749 -6.892 536 HA ASP 73 HA ASP 73 -5.101 -6.312 -9.352 537 1HB ASP 73 2HB ASP 73 -6.003 -5.371 -6.612 538 2HB ASP 73 1HB ASP 73 -7.102 -5.649 -7.962 539 H PHE 74 H PHE 74 -6.799 -4.592 -10.048 540 HA PHE 74 HA PHE 74 -5.412 -2.274 -10.844 541 1HB PHE 74 2HB PHE 74 -7.507 -3.259 -11.925 542 2HB PHE 74 1HB PHE 74 -8.420 -2.400 -10.680 543 HD1 PHE 74 HD1 PHE 74 -5.331 -1.533 -12.614 544 HD2 PHE 74 HD2 PHE 74 -9.381 -0.492 -11.635 545 HE1 PHE 74 HE1 PHE 74 -5.113 0.562 -13.919 546 HE2 PHE 74 HE2 PHE 74 -9.156 1.608 -12.935 547 HZ PHE 74 HZ PHE 74 -7.025 2.131 -14.080 548 H ASP 75 H ASP 75 -7.474 -2.902 -8.054 549 HA ASP 75 HA ASP 75 -7.759 -0.193 -7.202 550 1HB ASP 75 2HB ASP 75 -7.883 -2.797 -5.654 551 2HB ASP 75 1HB ASP 75 -8.277 -1.222 -4.967 552 H GLU 76 H GLU 76 -5.470 -2.794 -6.414 553 HA GLU 76 HA GLU 76 -3.901 -1.232 -4.586 554 1HB GLU 76 2HB GLU 76 -3.105 -3.742 -6.085 555 2HB GLU 76 1HB GLU 76 -2.327 -3.086 -4.645 556 1HG GLU 76 2HG GLU 76 -4.361 -3.451 -3.335 557 2HG GLU 76 1HG GLU 76 -5.217 -4.007 -4.771 558 H PHE 77 H PHE 77 -3.986 -1.656 -8.036 559 HA PHE 77 HA PHE 77 -1.334 -0.832 -8.654 560 1HB PHE 77 2HB PHE 77 -3.296 -1.971 -10.102 561 2HB PHE 77 1HB PHE 77 -3.552 -0.298 -10.568 562 HD1 PHE 77 HD1 PHE 77 -2.978 -1.060 -12.874 563 HD2 PHE 77 HD2 PHE 77 -0.117 -1.174 -9.662 564 HE1 PHE 77 HE1 PHE 77 -1.132 -1.241 -14.510 565 HE2 PHE 77 HE2 PHE 77 1.718 -1.344 -11.305 566 HZ PHE 77 HZ PHE 77 1.214 -1.382 -13.733 567 H LEU 78 H LEU 78 -4.458 0.884 -8.915 568 HA LEU 78 HA LEU 78 -3.329 3.420 -9.507 569 1HB LEU 78 2HB LEU 78 -6.009 2.425 -8.688 570 2HB LEU 78 1HB LEU 78 -5.686 4.138 -8.495 571 HG LEU 78 HG LEU 78 -5.481 4.477 -10.816 572 1HD1 LEU 78 1HD1 LEU 78 -5.290 1.469 -11.151 573 2HD1 LEU 78 2HD1 LEU 78 -3.931 2.590 -11.240 574 3HD1 LEU 78 3HD1 LEU 78 -5.214 2.666 -12.446 575 1HD2 LEU 78 1HD2 LEU 78 -7.802 3.959 -10.097 576 2HD2 LEU 78 2HD2 LEU 78 -7.530 2.264 -10.499 577 3HD2 LEU 78 3HD2 LEU 78 -7.509 3.486 -11.770 578 H VAL 79 H VAL 79 -4.118 1.795 -6.478 579 HA VAL 79 HA VAL 79 -3.927 4.039 -4.753 580 HB VAL 79 HB VAL 79 -3.775 1.071 -4.422 581 1HG1 VAL 79 1HG1 VAL 79 -2.858 3.062 -2.327 582 2HG1 VAL 79 2HG1 VAL 79 -1.898 1.768 -3.050 583 3HG1 VAL 79 3HG1 VAL 79 -3.256 1.375 -1.993 584 1HG2 VAL 79 1HG2 VAL 79 -5.630 1.452 -2.957 585 2HG2 VAL 79 2HG2 VAL 79 -5.884 2.497 -4.353 586 3HG2 VAL 79 3HG2 VAL 79 -5.273 3.175 -2.845 587 H MET 80 H MET 80 -1.540 1.599 -5.753 588 HA MET 80 HA MET 80 0.700 2.427 -4.364 589 1HB MET 80 2HB MET 80 0.184 0.637 -6.441 590 2HB MET 80 1HB MET 80 1.385 1.742 -7.106 591 1HG MET 80 2HG MET 80 2.724 1.401 -4.978 592 2HG MET 80 1HG MET 80 1.596 0.111 -4.565 593 1HE MET 80 1HE MET 80 1.990 -2.575 -7.089 594 2HE MET 80 2HE MET 80 1.017 -1.211 -7.632 595 3HE MET 80 3HE MET 80 0.964 -1.705 -5.942 596 H MET 81 H MET 81 -0.819 3.976 -7.134 597 HA MET 81 HA MET 81 1.327 5.571 -8.032 598 1HB MET 81 2HB MET 81 -0.902 5.270 -9.194 599 2HB MET 81 1HB MET 81 -1.589 6.382 -8.013 600 1HG MET 81 2HG MET 81 0.518 7.861 -8.783 601 2HG MET 81 1HG MET 81 0.291 6.928 -10.261 602 1HE MET 81 1HE MET 81 -2.549 6.193 -10.267 603 2HE MET 81 2HE MET 81 -1.981 6.972 -11.742 604 3HE MET 81 3HE MET 81 -3.492 7.496 -11.003 605 H VAL 82 H VAL 82 -1.363 6.426 -5.848 606 HA VAL 82 HA VAL 82 -0.204 8.912 -5.035 607 HB VAL 82 HB VAL 82 -1.951 8.877 -3.250 608 1HG1 VAL 82 1HG1 VAL 82 -2.469 9.778 -5.464 609 2HG1 VAL 82 2HG1 VAL 82 -3.873 8.926 -4.824 610 3HG1 VAL 82 3HG1 VAL 82 -2.862 8.163 -6.052 611 1HG2 VAL 82 1HG2 VAL 82 -1.901 6.358 -2.993 612 2HG2 VAL 82 2HG2 VAL 82 -2.790 6.250 -4.512 613 3HG2 VAL 82 3HG2 VAL 82 -3.520 7.047 -3.117 614 H ARG 83 H ARG 83 -0.028 5.607 -3.857 615 HA ARG 83 HA ARG 83 0.978 6.056 -1.266 616 1HB ARG 83 2HB ARG 83 1.488 3.788 -3.208 617 2HB ARG 83 1HB ARG 83 2.037 3.781 -1.533 618 1HG ARG 83 2HG ARG 83 -0.861 4.248 -2.254 619 2HG ARG 83 1HG ARG 83 -0.211 2.627 -2.015 620 1HD ARG 83 2HD ARG 83 0.295 4.731 0.063 621 2HD ARG 83 1HD ARG 83 -1.276 3.940 0.009 622 HE ARG 83 HE ARG 83 0.566 1.881 -0.045 623 1HH1 ARG 83 2HH1 ARG 83 -0.158 4.572 2.059 624 2HH1 ARG 83 1HH1 ARG 83 0.383 3.764 3.488 625 1HH2 ARG 83 1HH2 ARG 83 1.272 0.840 1.843 626 2HH2 ARG 83 2HH2 ARG 83 1.192 1.657 3.368 627 H CYS 84 H CYS 84 2.569 5.930 -4.425 628 HA CYS 84 HA CYS 84 5.257 5.958 -3.593 629 1HB CYS 84 2HB CYS 84 3.874 6.989 -6.066 630 2HB CYS 84 1HB CYS 84 5.610 7.192 -5.834 631 HG CYS 84 HG CYS 84 5.898 4.835 -6.506 632 H MET 85 H MET 85 2.947 8.600 -4.154 633 HA MET 85 HA MET 85 4.833 10.695 -3.581 634 1HB MET 85 2HB MET 85 2.335 10.622 -4.733 635 2HB MET 85 1HB MET 85 1.991 11.321 -3.151 636 1HG MET 85 2HG MET 85 4.348 12.349 -4.687 637 2HG MET 85 1HG MET 85 2.733 12.868 -5.169 638 1HE MET 85 1HE MET 85 5.064 15.263 -2.713 639 2HE MET 85 2HE MET 85 4.271 15.432 -4.277 640 3HE MET 85 3HE MET 85 5.413 14.117 -4.014 641 H LYS 86 H LYS 86 2.105 9.246 -1.789 642 HA LYS 86 HA LYS 86 1.748 8.947 0.456 643 1HB LYS 86 2HB LYS 86 4.470 8.787 0.309 644 2HB LYS 86 1HB LYS 86 4.265 10.154 1.406 645 1HG LYS 86 2HG LYS 86 2.691 7.608 1.791 646 2HG LYS 86 1HG LYS 86 4.327 7.770 2.433 647 1HD LYS 86 2HD LYS 86 3.403 10.050 3.390 648 2HD LYS 86 1HD LYS 86 1.838 9.260 3.200 649 1HE LYS 86 2HE LYS 86 2.241 8.324 5.220 650 2HE LYS 86 1HE LYS 86 3.382 7.283 4.370 651 1HZ LYS 86 1HZ LYS 86 4.047 9.917 5.573 652 2HZ LYS 86 2HZ LYS 86 5.136 8.854 4.817 653 3HZ LYS 86 3HZ LYS 86 4.388 8.412 6.276 654 H ASP 87 H ASP 87 0.359 10.196 1.472 655 HA ASP 87 HA ASP 87 0.420 13.068 1.217 656 1HB ASP 87 2HB ASP 87 -1.690 11.688 1.265 657 2HB ASP 87 1HB ASP 87 -1.390 11.394 2.976 658 H ASP 88 H ASP 88 0.228 10.978 4.117 659 HA ASP 88 HA ASP 88 2.427 12.191 5.453 660 1HB ASP 88 2HB ASP 88 0.691 14.060 5.527 661 2HB ASP 88 1HB ASP 88 -0.257 13.009 6.578 662 H SER 89 HN SER 89 -0.823 10.887 6.191 663 HA SER 89 HA SER 89 0.421 8.594 7.532 664 1HB SER 89 2HB SER 89 -1.408 10.584 8.866 665 2HB SER 89 1HB SER 89 -1.300 8.917 9.425 666 HG SER 89 HG SER 89 0.193 10.270 10.500 Start of MODEL 12 1 1H MET 1 1H MET 1 -4.439 8.014 12.233 2 2H MET 1 2H MET 1 -4.011 9.419 11.379 3 3H MET 1 3H MET 1 -3.119 7.987 11.170 4 HA MET 1 HA MET 1 -5.045 6.901 10.186 5 1HB MET 1 2HB MET 1 -6.614 8.515 11.499 6 2HB MET 1 1HB MET 1 -6.370 9.610 10.139 7 1HG MET 1 2HG MET 1 -8.192 8.466 9.325 8 2HG MET 1 1HG MET 1 -6.930 7.371 8.762 9 1HE MET 1 1HE MET 1 -9.628 5.508 9.074 10 2HE MET 1 2HE MET 1 -9.888 7.242 9.249 11 3HE MET 1 3HE MET 1 -10.470 6.141 10.496 12 H ASN 2 H ASN 2 -4.225 6.608 8.221 13 HA ASN 2 HA ASN 2 -2.980 8.829 6.779 14 1HB ASN 2 2HB ASN 2 -2.899 5.856 6.587 15 2HB ASN 2 1HB ASN 2 -2.610 6.776 5.110 16 1HD2 ASN 2 1HD2 ASN 2 -1.683 7.440 8.547 17 2HD2 ASN 2 2HD2 ASN 2 -0.029 7.611 8.210 18 H ASP 3 H ASP 3 -4.781 10.046 6.198 19 HA ASP 3 HA ASP 3 -6.736 8.787 4.382 20 1HB ASP 3 2HB ASP 3 -6.854 11.557 5.593 21 2HB ASP 3 1HB ASP 3 -8.155 10.688 4.780 22 H ILE 4 H ILE 4 -3.873 10.555 4.220 23 HA ILE 4 HA ILE 4 -4.381 12.404 2.154 24 HB ILE 4 HB ILE 4 -1.919 12.243 1.688 25 1HG1 ILE 4 2HG1 ILE 4 -0.884 10.846 3.798 26 2HG1 ILE 4 1HG1 ILE 4 -2.277 9.843 3.396 27 1HG2 ILE 4 1HG2 ILE 4 -3.153 12.792 4.341 28 2HG2 ILE 4 2HG2 ILE 4 -2.274 13.875 3.261 29 3HG2 ILE 4 3HG2 ILE 4 -1.391 12.736 4.279 30 1HD1 ILE 4 1HD1 ILE 4 -0.145 9.247 2.163 31 2HD1 ILE 4 2HD1 ILE 4 -0.281 10.796 1.333 32 3HD1 ILE 4 3HD1 ILE 4 -1.536 9.573 1.129 33 H TYR 5 H TYR 5 -3.829 8.949 2.088 34 HA TYR 5 HA TYR 5 -3.241 8.679 -0.687 35 1HB TYR 5 2HB TYR 5 -4.422 6.734 1.312 36 2HB TYR 5 1HB TYR 5 -4.007 6.297 -0.345 37 HD1 TYR 5 HD1 TYR 5 -2.674 7.344 2.933 38 HD2 TYR 5 HD2 TYR 5 -1.689 6.129 -1.068 39 HE1 TYR 5 HE1 TYR 5 -0.317 7.017 3.618 40 HE2 TYR 5 HE2 TYR 5 0.672 5.803 -0.384 41 HH TYR 5 HH TYR 5 2.128 7.011 1.836 42 H LYS 6 H LYS 6 -6.216 8.779 1.198 43 HA LYS 6 HA LYS 6 -7.964 8.070 -0.970 44 1HB LYS 6 2HB LYS 6 -8.475 9.311 1.737 45 2HB LYS 6 1HB LYS 6 -9.759 8.928 0.589 46 1HG LYS 6 2HG LYS 6 -8.934 6.559 0.543 47 2HG LYS 6 1HG LYS 6 -7.790 6.978 1.819 48 1HD LYS 6 2HD LYS 6 -10.701 7.610 2.196 49 2HD LYS 6 1HD LYS 6 -10.138 5.958 2.447 50 1HE LYS 6 2HE LYS 6 -8.544 6.690 4.120 51 2HE LYS 6 1HE LYS 6 -8.900 8.383 3.781 52 1HZ LYS 6 1HZ LYS 6 -11.179 8.003 4.514 53 2HZ LYS 6 2HZ LYS 6 -10.068 7.638 5.746 54 3HZ LYS 6 3HZ LYS 6 -10.810 6.386 4.870 55 H ALA 7 H ALA 7 -6.538 11.045 0.176 56 HA ALA 7 HA ALA 7 -8.395 12.884 -0.908 57 1HB ALA 7 1HB ALA 7 -5.426 13.180 -0.410 58 2HB ALA 7 2HB ALA 7 -6.725 13.603 0.705 59 3HB ALA 7 3HB ALA 7 -6.520 14.510 -0.794 60 H ALA 8 H ALA 8 -5.586 11.230 -2.310 61 HA ALA 8 HA ALA 8 -5.625 12.733 -4.766 62 1HB ALA 8 1HB ALA 8 -4.402 10.016 -4.618 63 2HB ALA 8 2HB ALA 8 -3.691 11.309 -3.653 64 3HB ALA 8 3HB ALA 8 -3.802 11.475 -5.406 65 H VAL 9 H VAL 9 -6.735 9.490 -3.790 66 HA VAL 9 HA VAL 9 -7.697 8.729 -6.348 67 HB VAL 9 HB VAL 9 -7.269 7.176 -4.401 68 1HG1 VAL 9 1HG1 VAL 9 -9.981 8.195 -3.507 69 2HG1 VAL 9 2HG1 VAL 9 -8.451 8.513 -2.693 70 3HG1 VAL 9 3HG1 VAL 9 -9.079 6.869 -2.774 71 1HG2 VAL 9 1HG2 VAL 9 -9.025 5.637 -5.046 72 2HG2 VAL 9 2HG2 VAL 9 -8.569 6.565 -6.476 73 3HG2 VAL 9 3HG2 VAL 9 -10.046 6.963 -5.600 74 H GLU 10 H GLU 10 -8.969 10.822 -3.892 75 HA GLU 10 HA GLU 10 -11.702 10.748 -4.852 76 1HB GLU 10 2HB GLU 10 -10.224 12.245 -2.721 77 2HB GLU 10 1HB GLU 10 -11.762 12.885 -3.302 78 1HG GLU 10 2HG GLU 10 -12.899 10.814 -2.755 79 2HG GLU 10 1HG GLU 10 -11.371 10.037 -2.340 80 H GLN 11 H GLN 11 -8.821 12.252 -5.890 81 HA GLN 11 HA GLN 11 -10.403 14.183 -7.472 82 1HB GLN 11 2HB GLN 11 -8.710 15.890 -7.200 83 2HB GLN 11 1HB GLN 11 -9.245 15.362 -5.607 84 1HG GLN 11 2HG GLN 11 -7.272 13.829 -5.497 85 2HG GLN 11 1HG GLN 11 -6.716 14.483 -7.037 86 1HE2 GLN 11 1HE2 GLN 11 -6.094 14.782 -3.825 87 2HE2 GLN 11 2HE2 GLN 11 -5.650 16.419 -3.760 88 H LEU 12 H LEU 12 -9.220 11.483 -8.072 89 HA LEU 12 HA LEU 12 -6.951 11.900 -9.773 90 1HB LEU 12 2HB LEU 12 -7.351 9.632 -10.556 91 2HB LEU 12 1HB LEU 12 -7.376 9.719 -8.812 92 HG LEU 12 HG LEU 12 -10.042 9.988 -9.430 93 1HD1 LEU 12 1HD1 LEU 12 -10.357 7.984 -11.021 94 2HD1 LEU 12 2HD1 LEU 12 -8.676 8.249 -11.488 95 3HD1 LEU 12 3HD1 LEU 12 -9.874 9.516 -11.750 96 1HD2 LEU 12 1HD2 LEU 12 -8.742 8.488 -7.788 97 2HD2 LEU 12 2HD2 LEU 12 -8.685 7.312 -9.101 98 3HD2 LEU 12 3HD2 LEU 12 -10.239 7.837 -8.454 99 H THR 13 H THR 13 -7.119 11.086 -12.127 100 HA THR 13 HA THR 13 -9.329 12.549 -13.447 101 HB THR 13 HB THR 13 -7.405 12.340 -15.373 102 HG1 THR 13 HG1 THR 13 -5.810 11.565 -14.087 103 1HG2 THR 13 1HG2 THR 13 -8.078 14.436 -13.339 104 2HG2 THR 13 2HG2 THR 13 -8.416 14.410 -15.070 105 3HG2 THR 13 3HG2 THR 13 -6.779 14.724 -14.496 106 H ASP 14 H ASP 14 -9.667 11.795 -15.768 107 HA ASP 14 HA ASP 14 -10.375 9.013 -15.744 108 1HB ASP 14 2HB ASP 14 -11.616 10.814 -17.025 109 2HB ASP 14 1HB ASP 14 -10.265 10.839 -18.157 110 H GLU 15 H GLU 15 -7.751 10.958 -17.036 111 HA GLU 15 HA GLU 15 -6.577 9.013 -18.730 112 1HB GLU 15 2HB GLU 15 -4.649 10.422 -18.761 113 2HB GLU 15 1HB GLU 15 -6.049 11.486 -18.680 114 1HG GLU 15 2HG GLU 15 -5.001 12.465 -16.930 115 2HG GLU 15 1HG GLU 15 -5.481 11.041 -16.012 116 H GLN 16 H GLN 16 -6.510 9.535 -15.286 117 HA GLN 16 HA GLN 16 -4.238 7.916 -14.669 118 1HB GLN 16 2HB GLN 16 -5.319 9.642 -13.145 119 2HB GLN 16 1HB GLN 16 -6.601 8.465 -12.864 120 1HG GLN 16 2HG GLN 16 -4.302 6.969 -12.483 121 2HG GLN 16 1HG GLN 16 -3.871 8.536 -11.800 122 1HE2 GLN 16 1HE2 GLN 16 -6.691 6.266 -11.766 123 2HE2 GLN 16 2HE2 GLN 16 -7.045 6.515 -10.124 124 H LYS 17 H LYS 17 -7.733 7.327 -14.866 125 HA LYS 17 HA LYS 17 -7.649 4.619 -13.960 126 1HB LYS 17 2HB LYS 17 -9.722 6.073 -15.623 127 2HB LYS 17 1HB LYS 17 -9.937 4.469 -14.925 128 1HG LYS 17 2HG LYS 17 -10.105 5.271 -12.770 129 2HG LYS 17 1HG LYS 17 -9.060 6.654 -13.090 130 1HD LYS 17 2HD LYS 17 -11.108 7.729 -12.964 131 2HD LYS 17 1HD LYS 17 -11.063 7.365 -14.688 132 1HE LYS 17 2HE LYS 17 -13.188 6.591 -14.064 133 2HE LYS 17 1HE LYS 17 -12.213 5.124 -13.996 134 1HZ LYS 17 1HZ LYS 17 -13.609 5.419 -12.021 135 2HZ LYS 17 2HZ LYS 17 -12.810 6.878 -11.672 136 3HZ LYS 17 3HZ LYS 17 -11.958 5.408 -11.633 137 H ASN 18 H ASN 18 -6.872 6.104 -16.979 138 HA ASN 18 HA ASN 18 -7.108 3.554 -18.429 139 1HB ASN 18 2HB ASN 18 -6.833 6.424 -19.295 140 2HB ASN 18 1HB ASN 18 -6.457 5.105 -20.405 141 1HD2 ASN 18 1HD2 ASN 18 -9.073 6.737 -18.687 142 2HD2 ASN 18 2HD2 ASN 18 -10.337 5.894 -19.445 143 H GLU 19 H GLU 19 -4.772 5.851 -17.188 144 HA GLU 19 HA GLU 19 -2.497 5.164 -18.669 145 1HB GLU 19 2HB GLU 19 -2.792 7.037 -16.920 146 2HB GLU 19 1HB GLU 19 -2.408 5.803 -15.722 147 1HG GLU 19 2HG GLU 19 -0.260 6.459 -16.131 148 2HG GLU 19 1HG GLU 19 -0.411 5.369 -17.508 149 H PHE 20 H PHE 20 -3.495 3.929 -15.467 150 HA PHE 20 HA PHE 20 -1.534 1.831 -15.476 151 1HB PHE 20 2HB PHE 20 -3.832 2.570 -13.699 152 2HB PHE 20 1HB PHE 20 -3.080 0.981 -13.540 153 HD1 PHE 20 HD1 PHE 20 -2.455 4.642 -13.401 154 HD2 PHE 20 HD2 PHE 20 -0.889 0.727 -12.603 155 HE1 PHE 20 HE1 PHE 20 -0.590 5.646 -12.113 156 HE2 PHE 20 HE2 PHE 20 0.970 1.726 -11.308 157 HZ PHE 20 HZ PHE 20 1.123 4.189 -11.066 158 H LYS 21 H LYS 21 -5.039 1.995 -16.115 159 HA LYS 21 HA LYS 21 -5.557 -0.745 -16.313 160 1HB LYS 21 2HB LYS 21 -7.251 1.129 -16.348 161 2HB LYS 21 1HB LYS 21 -6.855 1.355 -18.050 162 1HG LYS 21 2HG LYS 21 -8.706 -0.116 -18.094 163 2HG LYS 21 1HG LYS 21 -7.319 -1.188 -18.279 164 1HD LYS 21 2HD LYS 21 -7.470 -1.986 -16.088 165 2HD LYS 21 1HD LYS 21 -8.357 -0.567 -15.529 166 1HE LYS 21 2HE LYS 21 -10.010 -2.249 -15.635 167 2HE LYS 21 1HE LYS 21 -10.231 -1.348 -17.134 168 1HZ LYS 21 1HZ LYS 21 -10.205 -3.771 -17.461 169 2HZ LYS 21 2HZ LYS 21 -8.611 -3.826 -16.878 170 3HZ LYS 21 3HZ LYS 21 -8.966 -2.992 -18.316 171 H ALA 22 H ALA 22 -4.092 1.449 -18.665 172 HA ALA 22 HA ALA 22 -4.252 -0.224 -20.947 173 1HB ALA 22 1HB ALA 22 -2.330 1.105 -21.796 174 2HB ALA 22 2HB ALA 22 -2.162 1.838 -20.200 175 3HB ALA 22 3HB ALA 22 -3.616 2.127 -21.155 176 H ALA 23 H ALA 23 -1.630 0.265 -18.583 177 HA ALA 23 HA ALA 23 0.047 -1.816 -19.574 178 1HB ALA 23 1HB ALA 23 0.722 0.151 -18.066 179 2HB ALA 23 2HB ALA 23 1.404 -1.425 -17.667 180 3HB ALA 23 3HB ALA 23 0.049 -0.789 -16.733 181 H PHE 24 H PHE 24 -2.534 -1.633 -17.201 182 HA PHE 24 HA PHE 24 -2.171 -4.101 -15.895 183 1HB PHE 24 2HB PHE 24 -3.784 -2.183 -15.300 184 2HB PHE 24 1HB PHE 24 -4.872 -2.890 -16.491 185 HD1 PHE 24 HD1 PHE 24 -5.529 -5.352 -16.228 186 HD2 PHE 24 HD2 PHE 24 -3.613 -3.088 -13.125 187 HE1 PHE 24 HE1 PHE 24 -6.278 -7.017 -14.552 188 HE2 PHE 24 HE2 PHE 24 -4.360 -4.754 -11.450 189 HZ PHE 24 HZ PHE 24 -5.694 -6.713 -12.165 190 H ASP 25 H ASP 25 -4.005 -3.240 -18.818 191 HA ASP 25 HA ASP 25 -5.149 -5.788 -19.275 192 1HB ASP 25 2HB ASP 25 -5.517 -3.370 -20.402 193 2HB ASP 25 1HB ASP 25 -4.504 -4.114 -21.638 194 H ILE 26 H ILE 26 -2.177 -4.297 -20.594 195 HA ILE 26 HA ILE 26 -1.502 -6.502 -22.256 196 HB ILE 26 HB ILE 26 0.784 -5.503 -22.330 197 1HG1 ILE 26 2HG1 ILE 26 -0.410 -3.437 -20.455 198 2HG1 ILE 26 1HG1 ILE 26 0.774 -4.649 -19.975 199 1HG2 ILE 26 1HG2 ILE 26 -1.046 -4.751 -23.829 200 2HG2 ILE 26 2HG2 ILE 26 0.074 -3.442 -23.450 201 3HG2 ILE 26 3HG2 ILE 26 -1.493 -3.523 -22.644 202 1HD1 ILE 26 1HD1 ILE 26 1.939 -3.518 -22.213 203 2HD1 ILE 26 2HD1 ILE 26 2.332 -3.112 -20.542 204 3HD1 ILE 26 3HD1 ILE 26 1.165 -2.137 -21.435 205 H PHE 27 H PHE 27 -0.630 -5.704 -18.902 206 HA PHE 27 HA PHE 27 1.195 -7.927 -18.656 207 1HB PHE 27 2HB PHE 27 -0.059 -6.144 -16.552 208 2HB PHE 27 1HB PHE 27 1.157 -7.376 -16.218 209 HD1 PHE 27 HD1 PHE 27 2.953 -7.120 -18.564 210 HD2 PHE 27 HD2 PHE 27 1.041 -4.089 -16.192 211 HE1 PHE 27 HE1 PHE 27 4.730 -5.511 -19.187 212 HE2 PHE 27 HE2 PHE 27 2.821 -2.482 -16.822 213 HZ PHE 27 HZ PHE 27 4.664 -3.193 -18.316 214 H ILE 28 H ILE 28 -2.226 -7.385 -18.021 215 HA ILE 28 HA ILE 28 -2.456 -10.083 -16.865 216 HB ILE 28 HB ILE 28 -3.473 -7.822 -15.892 217 1HG1 ILE 28 2HG1 ILE 28 -3.569 -10.138 -14.951 218 2HG1 ILE 28 1HG1 ILE 28 -4.993 -9.160 -14.605 219 1HG2 ILE 28 1HG2 ILE 28 -5.611 -7.243 -16.570 220 2HG2 ILE 28 2HG2 ILE 28 -5.917 -8.806 -17.321 221 3HG2 ILE 28 3HG2 ILE 28 -4.859 -7.639 -18.114 222 1HD1 ILE 28 1HD1 ILE 28 -5.706 -11.388 -15.278 223 2HD1 ILE 28 2HD1 ILE 28 -4.736 -11.291 -16.746 224 3HD1 ILE 28 3HD1 ILE 28 -6.142 -10.246 -16.549 225 H GLN 29 H GLN 29 -1.896 -9.719 -19.635 226 HA GLN 29 HA GLN 29 -4.328 -10.130 -21.150 227 1HB GLN 29 2HB GLN 29 -2.278 -9.025 -22.097 228 2HB GLN 29 1HB GLN 29 -1.466 -10.588 -22.027 229 1HG GLN 29 2HG GLN 29 -2.901 -11.542 -23.637 230 2HG GLN 29 1HG GLN 29 -4.117 -10.280 -23.431 231 1HE2 GLN 29 1HE2 GLN 29 -3.519 -8.062 -24.249 232 2HE2 GLN 29 2HE2 GLN 29 -2.406 -7.930 -25.523 233 H ASP 30 H ASP 30 -1.471 -12.115 -20.355 234 HA ASP 30 HA ASP 30 -2.880 -14.547 -21.151 235 1HB ASP 30 2HB ASP 30 -0.335 -13.928 -21.516 236 2HB ASP 30 1HB ASP 30 -0.169 -14.591 -19.889 237 H ALA 31 H ALA 31 -2.884 -12.705 -18.389 238 HA ALA 31 HA ALA 31 -2.759 -14.926 -16.496 239 1HB ALA 31 1HB ALA 31 -1.834 -13.069 -15.470 240 2HB ALA 31 2HB ALA 31 -3.504 -12.948 -14.916 241 3HB ALA 31 3HB ALA 31 -2.945 -11.948 -16.257 242 H GLU 32 H GLU 32 -4.492 -15.526 -15.171 243 HA GLU 32 HA GLU 32 -7.177 -14.753 -16.147 244 1HB GLU 32 2HB GLU 32 -6.163 -17.514 -15.436 245 2HB GLU 32 1HB GLU 32 -7.868 -17.124 -15.664 246 1HG GLU 32 2HG GLU 32 -7.633 -17.308 -17.891 247 2HG GLU 32 1HG GLU 32 -6.398 -16.048 -17.874 248 H ASP 33 H ASP 33 -5.871 -13.531 -13.959 249 HA ASP 33 HA ASP 33 -7.574 -14.479 -11.730 250 1HB ASP 33 2HB ASP 33 -4.706 -13.537 -11.550 251 2HB ASP 33 1HB ASP 33 -5.759 -13.808 -10.160 252 H GLY 34 H GLY 34 -7.029 -11.953 -13.812 253 1HA GLY 34 2HA GLY 34 -7.731 -9.761 -13.841 254 2HA GLY 34 1HA GLY 34 -8.651 -10.123 -12.385 255 H CYS 35 H CYS 35 -5.146 -10.402 -12.779 256 HA CYS 35 HA CYS 35 -4.570 -7.928 -11.400 257 1HB CYS 35 2HB CYS 35 -3.380 -9.098 -9.507 258 2HB CYS 35 1HB CYS 35 -5.138 -9.195 -9.445 259 HG CYS 35 HG CYS 35 -4.885 -11.652 -9.472 260 H ILE 36 H ILE 36 -2.372 -7.370 -11.498 261 HA ILE 36 HA ILE 36 -0.871 -8.835 -13.525 262 HB ILE 36 HB ILE 36 0.621 -6.974 -13.603 263 1HG1 ILE 36 2HG1 ILE 36 -0.180 -5.107 -11.716 264 2HG1 ILE 36 1HG1 ILE 36 -0.244 -6.624 -10.819 265 1HG2 ILE 36 1HG2 ILE 36 -1.730 -6.636 -14.491 266 2HG2 ILE 36 2HG2 ILE 36 -0.861 -5.151 -14.101 267 3HG2 ILE 36 3HG2 ILE 36 -2.089 -5.769 -12.998 268 1HD1 ILE 36 1HD1 ILE 36 2.138 -5.802 -12.501 269 2HD1 ILE 36 2HD1 ILE 36 2.050 -7.123 -11.333 270 3HD1 ILE 36 3HD1 ILE 36 2.010 -5.451 -10.778 271 H SER 37 H SER 37 1.587 -9.017 -13.094 272 HA SER 37 HA SER 37 1.883 -10.563 -10.625 273 1HB SER 37 2HB SER 37 2.626 -11.534 -12.796 274 2HB SER 37 1HB SER 37 3.821 -10.249 -12.930 275 HG SER 37 HG SER 37 4.475 -12.342 -11.932 276 H THR 38 H THR 38 2.535 -9.516 -8.875 277 HA THR 38 HA THR 38 3.721 -6.981 -8.748 278 HB THR 38 HB THR 38 4.315 -7.517 -6.433 279 HG1 THR 38 HG1 THR 38 3.535 -10.163 -7.101 280 1HG2 THR 38 1HG2 THR 38 1.994 -8.517 -5.772 281 2HG2 THR 38 2HG2 THR 38 1.648 -8.397 -7.496 282 3HG2 THR 38 3HG2 THR 38 2.055 -6.951 -6.576 283 H LYS 39 H LYS 39 5.143 -10.176 -9.085 284 HA LYS 39 HA LYS 39 7.856 -9.489 -8.583 285 1HB LYS 39 2HB LYS 39 6.835 -11.644 -10.454 286 2HB LYS 39 1HB LYS 39 8.423 -11.571 -9.691 287 1HG LYS 39 2HG LYS 39 7.614 -12.194 -7.621 288 2HG LYS 39 1HG LYS 39 6.026 -11.483 -7.912 289 1HD LYS 39 2HD LYS 39 5.206 -13.438 -8.675 290 2HD LYS 39 1HD LYS 39 6.554 -13.629 -9.796 291 1HE LYS 39 2HE LYS 39 6.799 -15.480 -8.367 292 2HE LYS 39 1HE LYS 39 7.918 -14.304 -7.681 293 1HZ LYS 39 1HZ LYS 39 5.117 -14.673 -6.764 294 2HZ LYS 39 2HZ LYS 39 6.307 -13.692 -6.049 295 3HZ LYS 39 3HZ LYS 39 6.466 -15.382 -6.020 296 H GLU 40 H GLU 40 5.771 -9.282 -11.401 297 HA GLU 40 HA GLU 40 7.985 -8.408 -13.118 298 1HB GLU 40 2HB GLU 40 5.078 -9.004 -13.699 299 2HB GLU 40 1HB GLU 40 6.215 -8.398 -14.902 300 1HG GLU 40 2HG GLU 40 7.698 -10.420 -14.058 301 2HG GLU 40 1HG GLU 40 6.142 -11.067 -13.541 302 H LEU 41 H LEU 41 6.562 -6.801 -10.818 303 HA LEU 41 HA LEU 41 5.186 -4.624 -11.931 304 1HB LEU 41 2HB LEU 41 5.655 -5.300 -9.435 305 2HB LEU 41 1HB LEU 41 7.032 -4.240 -9.610 306 HG LEU 41 HG LEU 41 4.952 -3.226 -8.572 307 1HD1 LEU 41 1HD1 LEU 41 6.899 -2.103 -10.086 308 2HD1 LEU 41 2HD1 LEU 41 5.612 -1.176 -9.318 309 3HD1 LEU 41 3HD1 LEU 41 5.476 -1.632 -11.015 310 1HD2 LEU 41 1HD2 LEU 41 3.914 -3.006 -11.393 311 2HD2 LEU 41 2HD2 LEU 41 3.047 -2.767 -9.874 312 3HD2 LEU 41 3HD2 LEU 41 3.484 -4.396 -10.396 313 H GLY 42 H GLY 42 8.609 -5.381 -11.857 314 1HA GLY 42 2HA GLY 42 9.733 -2.846 -12.306 315 2HA GLY 42 1HA GLY 42 10.427 -4.370 -12.852 316 H LYS 43 H LYS 43 8.273 -5.186 -14.532 317 HA LYS 43 HA LYS 43 8.920 -3.816 -16.955 318 1HB LYS 43 2HB LYS 43 6.631 -5.730 -16.415 319 2HB LYS 43 1HB LYS 43 7.245 -5.264 -18.000 320 1HG LYS 43 2HG LYS 43 9.261 -6.322 -16.093 321 2HG LYS 43 1HG LYS 43 8.076 -7.485 -16.683 322 1HD LYS 43 2HD LYS 43 8.661 -7.053 -18.971 323 2HD LYS 43 1HD LYS 43 9.638 -5.654 -18.520 324 1HE LYS 43 2HE LYS 43 11.417 -6.936 -17.891 325 2HE LYS 43 1HE LYS 43 10.394 -8.189 -17.191 326 1HZ LYS 43 1HZ LYS 43 11.550 -8.992 -19.149 327 2HZ LYS 43 2HZ LYS 43 10.864 -7.757 -20.092 328 3HZ LYS 43 3HZ LYS 43 9.876 -8.964 -19.419 329 H VAL 44 H VAL 44 6.566 -3.308 -14.493 330 HA VAL 44 HA VAL 44 4.727 -1.771 -16.137 331 HB VAL 44 HB VAL 44 4.795 -1.867 -13.116 332 1HG1 VAL 44 1HG1 VAL 44 2.423 -1.653 -14.968 333 2HG1 VAL 44 2HG1 VAL 44 3.347 -0.233 -14.479 334 3HG1 VAL 44 3HG1 VAL 44 2.529 -1.212 -13.265 335 1HG2 VAL 44 1HG2 VAL 44 4.788 -4.184 -14.289 336 2HG2 VAL 44 2HG2 VAL 44 3.167 -3.746 -14.828 337 3HG2 VAL 44 3HG2 VAL 44 3.521 -3.858 -13.107 338 H MET 45 H MET 45 7.079 -1.225 -13.536 339 HA MET 45 HA MET 45 6.826 1.529 -13.229 340 1HB MET 45 2HB MET 45 9.198 -0.310 -12.920 341 2HB MET 45 1HB MET 45 9.310 1.419 -12.585 342 1HG MET 45 2HG MET 45 7.103 -0.218 -11.359 343 2HG MET 45 1HG MET 45 8.707 -0.203 -10.627 344 1HE MET 45 1HE MET 45 5.796 1.194 -9.165 345 2HE MET 45 2HE MET 45 7.013 1.994 -8.175 346 3HE MET 45 3HE MET 45 7.289 0.347 -8.735 347 H ARG 46 H ARG 46 8.830 -0.303 -15.544 348 HA ARG 46 HA ARG 46 10.119 1.953 -16.684 349 1HB ARG 46 2HB ARG 46 10.601 0.477 -18.618 350 2HB ARG 46 1HB ARG 46 10.996 -0.275 -17.074 351 1HG ARG 46 2HG ARG 46 9.213 -1.767 -17.187 352 2HG ARG 46 1HG ARG 46 8.277 -0.730 -18.260 353 1HD ARG 46 2HD ARG 46 9.078 -2.586 -19.569 354 2HD ARG 46 1HD ARG 46 9.987 -1.159 -20.052 355 HE ARG 46 HE ARG 46 11.361 -2.570 -17.985 356 1HH1 ARG 46 2HH1 ARG 46 10.569 -2.701 -21.384 357 2HH1 ARG 46 1HH1 ARG 46 11.984 -3.603 -21.806 358 1HH2 ARG 46 1HH2 ARG 46 13.211 -3.753 -18.563 359 2HH2 ARG 46 2HH2 ARG 46 13.476 -4.198 -20.216 360 H MET 47 H MET 47 6.992 0.470 -17.284 361 HA MET 47 HA MET 47 6.441 1.950 -19.699 362 1HB MET 47 2HB MET 47 5.099 -0.073 -18.072 363 2HB MET 47 1HB MET 47 3.991 1.175 -18.639 364 1HG MET 47 2HG MET 47 4.003 -0.430 -20.380 365 2HG MET 47 1HG MET 47 5.084 0.840 -20.952 366 1HE MET 47 1HE MET 47 8.099 -0.834 -21.878 367 2HE MET 47 2HE MET 47 7.867 0.590 -20.869 368 3HE MET 47 3HE MET 47 6.765 0.280 -22.208 369 H LEU 48 H LEU 48 5.879 2.366 -16.251 370 HA LEU 48 HA LEU 48 4.060 4.587 -16.513 371 1HB LEU 48 2HB LEU 48 5.484 3.221 -14.279 372 2HB LEU 48 1HB LEU 48 4.894 4.844 -14.005 373 HG LEU 48 HG LEU 48 2.651 4.189 -14.158 374 1HD1 LEU 48 1HD1 LEU 48 3.737 1.890 -15.761 375 2HD1 LEU 48 2HD1 LEU 48 2.427 3.002 -16.157 376 3HD1 LEU 48 3HD1 LEU 48 2.171 1.727 -14.966 377 1HD2 LEU 48 1HD2 LEU 48 2.747 1.764 -12.965 378 2HD2 LEU 48 2HD2 LEU 48 3.154 3.259 -12.120 379 3HD2 LEU 48 3HD2 LEU 48 4.435 2.244 -12.781 380 H GLY 49 H GLY 49 7.531 4.176 -16.270 381 1HA GLY 49 2HA GLY 49 8.909 5.979 -17.227 382 2HA GLY 49 1HA GLY 49 7.870 7.120 -16.383 383 H GLN 50 H GLN 50 8.919 4.133 -14.872 384 HA GLN 50 HA GLN 50 10.909 5.592 -13.247 385 1HB GLN 50 2HB GLN 50 9.012 3.575 -12.042 386 2HB GLN 50 1HB GLN 50 10.075 4.705 -11.208 387 1HG GLN 50 2HG GLN 50 7.781 5.601 -12.972 388 2HG GLN 50 1HG GLN 50 7.616 5.351 -11.236 389 1HE2 GLN 50 1HE2 GLN 50 7.635 7.899 -13.033 390 2HE2 GLN 50 2HE2 GLN 50 8.735 8.922 -12.242 391 H ASN 51 H ASN 51 12.217 3.954 -11.897 392 HA ASN 51 HA ASN 51 12.414 1.281 -12.995 393 1HB ASN 51 2HB ASN 51 13.694 2.934 -14.563 394 2HB ASN 51 1HB ASN 51 14.901 2.943 -13.278 395 1HD2 ASN 51 1HD2 ASN 51 16.539 1.516 -13.885 396 2HD2 ASN 51 2HD2 ASN 51 16.282 -0.034 -14.529 397 HA PRO 52 HA PRO 52 14.004 1.751 -8.675 398 1HB PRO 52 2HB PRO 52 12.046 0.295 -7.438 399 2HB PRO 52 1HB PRO 52 11.921 2.031 -7.752 400 1HG PRO 52 2HG PRO 52 10.536 -0.216 -9.067 401 2HG PRO 52 1HG PRO 52 10.061 1.484 -8.943 402 1HD PRO 52 2HD PRO 52 11.247 0.186 -11.204 403 2HD PRO 52 1HD PRO 52 10.900 1.922 -11.021 404 H THR 53 H THR 53 13.689 -0.491 -6.988 405 HA THR 53 HA THR 53 15.102 -2.589 -8.524 406 HB THR 53 HB THR 53 16.327 -3.109 -6.590 407 HG1 THR 53 HG1 THR 53 15.570 -2.169 -4.517 408 1HG2 THR 53 1HG2 THR 53 16.887 -0.842 -7.433 409 2HG2 THR 53 2HG2 THR 53 17.170 -1.002 -5.700 410 3HG2 THR 53 3HG2 THR 53 15.736 -0.158 -6.284 411 HA PRO 54 HA PRO 54 11.904 -5.464 -7.572 412 1HB PRO 54 2HB PRO 54 13.238 -7.725 -6.777 413 2HB PRO 54 1HB PRO 54 13.144 -7.166 -8.454 414 1HG PRO 54 2HG PRO 54 15.409 -7.009 -6.539 415 2HG PRO 54 1HG PRO 54 15.429 -7.139 -8.304 416 1HD PRO 54 2HD PRO 54 15.870 -4.788 -6.844 417 2HD PRO 54 1HD PRO 54 15.467 -4.861 -8.575 418 H GLU 55 H GLU 55 14.283 -4.976 -5.022 419 HA GLU 55 HA GLU 55 12.578 -6.076 -2.946 420 1HB GLU 55 2HB GLU 55 14.309 -5.290 -1.379 421 2HB GLU 55 1HB GLU 55 15.005 -6.256 -2.677 422 1HG GLU 55 2HG GLU 55 15.749 -4.260 -3.840 423 2HG GLU 55 1HG GLU 55 14.916 -3.225 -2.679 424 H GLU 56 H GLU 56 13.301 -2.924 -4.353 425 HA GLU 56 HA GLU 56 12.107 -1.366 -2.264 426 1HB GLU 56 2HB GLU 56 13.713 -0.671 -4.268 427 2HB GLU 56 1HB GLU 56 12.181 -0.373 -5.085 428 1HG GLU 56 2HG GLU 56 12.765 0.723 -2.328 429 2HG GLU 56 1HG GLU 56 13.194 1.602 -3.794 430 H LEU 57 H LEU 57 10.998 -2.334 -5.528 431 HA LEU 57 HA LEU 57 8.400 -1.272 -5.291 432 1HB LEU 57 2HB LEU 57 7.860 -2.453 -7.248 433 2HB LEU 57 1HB LEU 57 9.539 -2.000 -7.409 434 HG LEU 57 HG LEU 57 9.937 -4.453 -6.465 435 1HD1 LEU 57 1HD1 LEU 57 7.905 -5.450 -6.125 436 2HD1 LEU 57 2HD1 LEU 57 7.979 -5.729 -7.864 437 3HD1 LEU 57 3HD1 LEU 57 7.073 -4.356 -7.230 438 1HD2 LEU 57 1HD2 LEU 57 9.166 -3.635 -9.276 439 2HD2 LEU 57 2HD2 LEU 57 9.819 -5.230 -8.903 440 3HD2 LEU 57 3HD2 LEU 57 10.787 -3.789 -8.600 441 H GLN 58 H GLN 58 9.740 -4.411 -4.332 442 HA GLN 58 HA GLN 58 7.305 -5.757 -3.863 443 1HB GLN 58 2HB GLN 58 9.554 -6.854 -3.903 444 2HB GLN 58 1HB GLN 58 9.885 -6.137 -2.327 445 1HG GLN 58 2HG GLN 58 9.068 -8.397 -1.978 446 2HG GLN 58 1HG GLN 58 7.822 -7.270 -1.445 447 1HE2 GLN 58 1HE2 GLN 58 5.815 -7.220 -2.631 448 2HE2 GLN 58 2HE2 GLN 58 5.475 -8.306 -3.890 449 H GLU 59 H GLU 59 9.237 -3.618 -1.782 450 HA GLU 59 HA GLU 59 7.749 -4.006 0.602 451 1HB GLU 59 2HB GLU 59 9.693 -1.989 -0.390 452 2HB GLU 59 1HB GLU 59 8.628 -1.476 0.918 453 1HG GLU 59 2HG GLU 59 10.113 -4.101 1.049 454 2HG GLU 59 1HG GLU 59 10.865 -2.596 1.576 455 H MET 60 H MET 60 7.381 -1.759 -2.114 456 HA MET 60 HA MET 60 5.224 -0.272 -0.952 457 1HB MET 60 2HB MET 60 5.837 -0.565 -3.901 458 2HB MET 60 1HB MET 60 4.954 0.744 -3.115 459 1HG MET 60 2HG MET 60 7.320 0.776 -1.725 460 2HG MET 60 1HG MET 60 7.864 0.307 -3.336 461 1HE MET 60 1HE MET 60 5.772 2.789 -1.238 462 2HE MET 60 2HE MET 60 6.456 4.304 -1.822 463 3HE MET 60 3HE MET 60 7.509 3.092 -1.097 464 H ILE 61 H ILE 61 5.471 -3.021 -3.144 465 HA ILE 61 HA ILE 61 2.732 -3.301 -3.785 466 HB ILE 61 HB ILE 61 4.998 -5.301 -3.671 467 1HG1 ILE 61 2HG1 ILE 61 5.187 -3.591 -5.411 468 2HG1 ILE 61 1HG1 ILE 61 4.807 -5.145 -6.147 469 1HG2 ILE 61 1HG2 ILE 61 3.493 -6.817 -4.949 470 2HG2 ILE 61 2HG2 ILE 61 2.161 -5.696 -4.672 471 3HG2 ILE 61 3HG2 ILE 61 2.915 -6.525 -3.310 472 1HD1 ILE 61 1HD1 ILE 61 3.090 -2.710 -5.858 473 2HD1 ILE 61 2HD1 ILE 61 2.306 -4.289 -5.840 474 3HD1 ILE 61 3HD1 ILE 61 3.267 -3.797 -7.234 475 H ASP 62 H ASP 62 4.729 -4.754 -1.225 476 HA ASP 62 HA ASP 62 2.771 -6.395 -0.061 477 1HB ASP 62 2HB ASP 62 5.390 -5.328 0.717 478 2HB ASP 62 1HB ASP 62 4.305 -5.586 2.084 479 H GLU 63 H GLU 63 3.514 -2.968 0.443 480 HA GLU 63 HA GLU 63 1.719 -2.625 2.649 481 1HB GLU 63 2HB GLU 63 3.186 -0.738 0.828 482 2HB GLU 63 1HB GLU 63 1.977 -0.136 1.962 483 1HG GLU 63 2HG GLU 63 3.266 -1.571 3.724 484 2HG GLU 63 1HG GLU 63 4.581 -1.526 2.550 485 H VAL 64 H VAL 64 1.481 -1.813 -0.834 486 HA VAL 64 HA VAL 64 -1.159 -0.756 -0.650 487 HB VAL 64 HB VAL 64 0.336 -0.197 -2.524 488 1HG1 VAL 64 1HG1 VAL 64 1.309 -2.519 -2.726 489 2HG1 VAL 64 2HG1 VAL 64 0.848 -1.787 -4.260 490 3HG1 VAL 64 3HG1 VAL 64 -0.185 -3.010 -3.521 491 1HG2 VAL 64 1HG2 VAL 64 -1.362 -0.078 -4.132 492 2HG2 VAL 64 2HG2 VAL 64 -2.282 -0.309 -2.645 493 3HG2 VAL 64 3HG2 VAL 64 -1.994 -1.672 -3.725 494 H ASP 65 H ASP 65 0.093 -4.005 -1.334 495 HA ASP 65 HA ASP 65 -2.459 -5.119 -2.043 496 1HB ASP 65 2HB ASP 65 0.057 -6.011 -2.407 497 2HB ASP 65 1HB ASP 65 -0.334 -6.889 -0.930 498 H GLU 66 H GLU 66 -4.036 -4.960 -0.569 499 HA GLU 66 HA GLU 66 -3.656 -5.029 2.246 500 1HB GLU 66 2HB GLU 66 -6.145 -5.272 2.349 501 2HB GLU 66 1HB GLU 66 -5.601 -3.918 1.362 502 1HG GLU 66 2HG GLU 66 -5.729 -6.155 -0.371 503 2HG GLU 66 1HG GLU 66 -7.208 -6.189 0.586 504 H ASP 67 H ASP 67 -4.459 -7.541 -0.110 505 HA ASP 67 HA ASP 67 -4.823 -9.519 2.016 506 1HB ASP 67 2HB ASP 67 -5.117 -11.093 -0.027 507 2HB ASP 67 1HB ASP 67 -6.387 -9.924 0.327 508 H GLY 68 H GLY 68 -2.469 -8.611 -0.437 509 1HA GLY 68 2HA GLY 68 -0.223 -9.141 -0.593 510 2HA GLY 68 1HA GLY 68 -0.381 -10.049 0.909 511 H SER 69 H SER 69 -2.034 -10.404 -2.222 512 HA SER 69 HA SER 69 -1.560 -13.270 -2.171 513 1HB SER 69 2HB SER 69 -2.939 -13.269 -4.249 514 2HB SER 69 1HB SER 69 -3.748 -12.524 -2.874 515 HG SER 69 HG SER 69 -3.968 -11.180 -4.649 516 H GLY 70 H GLY 70 0.339 -10.732 -3.147 517 1HA GLY 70 2HA GLY 70 2.317 -10.732 -4.352 518 2HA GLY 70 1HA GLY 70 2.009 -12.410 -4.792 519 H THR 71 H THR 71 -0.473 -10.037 -5.319 520 HA THR 71 HA THR 71 0.229 -9.677 -8.143 521 HB THR 71 HB THR 71 -1.940 -10.424 -8.932 522 HG1 THR 71 HG1 THR 71 -3.448 -11.247 -7.489 523 1HG2 THR 71 1HG2 THR 71 -0.765 -12.486 -7.044 524 2HG2 THR 71 2HG2 THR 71 -0.150 -12.129 -8.659 525 3HG2 THR 71 3HG2 THR 71 -1.761 -12.820 -8.462 526 H VAL 72 H VAL 72 -0.458 -7.731 -8.951 527 HA VAL 72 HA VAL 72 -1.778 -5.944 -7.025 528 HB VAL 72 HB VAL 72 -0.686 -5.061 -9.680 529 1HG1 VAL 72 1HG1 VAL 72 -2.093 -3.589 -8.145 530 2HG1 VAL 72 2HG1 VAL 72 -0.514 -2.939 -8.590 531 3HG1 VAL 72 3HG1 VAL 72 -0.754 -3.662 -6.999 532 1HG2 VAL 72 1HG2 VAL 72 1.469 -4.598 -8.504 533 2HG2 VAL 72 2HG2 VAL 72 1.134 -6.325 -8.633 534 3HG2 VAL 72 3HG2 VAL 72 0.866 -5.485 -7.105 535 H ASP 73 H ASP 73 -3.888 -5.741 -7.145 536 HA ASP 73 HA ASP 73 -5.372 -6.378 -9.567 537 1HB ASP 73 2HB ASP 73 -6.271 -5.306 -6.874 538 2HB ASP 73 1HB ASP 73 -7.358 -5.765 -8.185 539 H PHE 74 H PHE 74 -7.066 -4.691 -10.325 540 HA PHE 74 HA PHE 74 -5.715 -2.392 -11.195 541 1HB PHE 74 2HB PHE 74 -7.820 -3.384 -12.222 542 2HB PHE 74 1HB PHE 74 -8.720 -2.526 -10.968 543 HD1 PHE 74 HD1 PHE 74 -5.704 -1.674 -13.025 544 HD2 PHE 74 HD2 PHE 74 -9.689 -0.591 -11.854 545 HE1 PHE 74 HE1 PHE 74 -5.522 0.425 -14.331 546 HE2 PHE 74 HE2 PHE 74 -9.503 1.508 -13.158 547 HZ PHE 74 HZ PHE 74 -7.417 2.016 -14.394 548 H ASP 75 H ASP 75 -7.882 -2.845 -8.409 549 HA ASP 75 HA ASP 75 -7.994 -0.091 -7.678 550 1HB ASP 75 2HB ASP 75 -8.891 -0.834 -5.563 551 2HB ASP 75 1HB ASP 75 -9.573 -1.855 -6.825 552 H GLU 76 H GLU 76 -5.753 -2.722 -6.941 553 HA GLU 76 HA GLU 76 -4.221 -1.183 -5.018 554 1HB GLU 76 2HB GLU 76 -3.430 -3.738 -6.443 555 2HB GLU 76 1HB GLU 76 -2.717 -3.079 -4.972 556 1HG GLU 76 2HG GLU 76 -4.836 -3.389 -3.773 557 2HG GLU 76 1HG GLU 76 -5.604 -3.978 -5.244 558 H PHE 77 H PHE 77 -4.295 -1.642 -8.447 559 HA PHE 77 HA PHE 77 -1.610 -0.984 -9.099 560 1HB PHE 77 2HB PHE 77 -3.658 -1.992 -10.509 561 2HB PHE 77 1HB PHE 77 -3.842 -0.305 -10.957 562 HD1 PHE 77 HD1 PHE 77 -3.392 -1.093 -13.275 563 HD2 PHE 77 HD2 PHE 77 -0.417 -1.350 -10.178 564 HE1 PHE 77 HE1 PHE 77 -1.626 -1.358 -14.982 565 HE2 PHE 77 HE2 PHE 77 1.342 -1.604 -11.899 566 HZ PHE 77 HZ PHE 77 0.736 -1.615 -14.302 567 H LEU 78 H LEU 78 -4.621 0.934 -9.253 568 HA LEU 78 HA LEU 78 -3.399 3.394 -9.923 569 1HB LEU 78 2HB LEU 78 -5.967 3.084 -8.383 570 2HB LEU 78 1HB LEU 78 -5.494 4.415 -9.424 571 HG LEU 78 HG LEU 78 -6.402 1.646 -10.202 572 1HD1 LEU 78 1HD1 LEU 78 -8.094 3.418 -9.876 573 2HD1 LEU 78 2HD1 LEU 78 -7.996 2.924 -11.567 574 3HD1 LEU 78 3HD1 LEU 78 -7.247 4.433 -11.043 575 1HD2 LEU 78 1HD2 LEU 78 -4.700 3.600 -11.721 576 2HD2 LEU 78 2HD2 LEU 78 -5.890 2.638 -12.595 577 3HD2 LEU 78 3HD2 LEU 78 -4.610 1.838 -11.683 578 H VAL 79 H VAL 79 -4.186 1.898 -6.809 579 HA VAL 79 HA VAL 79 -3.610 4.145 -5.169 580 HB VAL 79 HB VAL 79 -3.863 1.196 -4.731 581 1HG1 VAL 79 1HG1 VAL 79 -3.233 1.502 -2.343 582 2HG1 VAL 79 2HG1 VAL 79 -2.668 3.131 -2.724 583 3HG1 VAL 79 3HG1 VAL 79 -1.868 1.728 -3.438 584 1HG2 VAL 79 1HG2 VAL 79 -5.824 2.696 -4.671 585 2HG2 VAL 79 2HG2 VAL 79 -5.057 3.649 -3.401 586 3HG2 VAL 79 3HG2 VAL 79 -5.529 1.978 -3.088 587 H MET 80 H MET 80 -1.639 1.353 -6.152 588 HA MET 80 HA MET 80 0.727 1.828 -4.849 589 1HB MET 80 2HB MET 80 -0.082 0.183 -6.950 590 2HB MET 80 1HB MET 80 1.255 1.117 -7.618 591 1HG MET 80 2HG MET 80 1.606 0.028 -4.864 592 2HG MET 80 1HG MET 80 1.652 -1.124 -6.198 593 1HE MET 80 1HE MET 80 3.821 0.006 -8.646 594 2HE MET 80 2HE MET 80 2.840 -1.252 -7.901 595 3HE MET 80 3HE MET 80 4.581 -1.230 -7.635 596 H MET 81 H MET 81 -0.583 3.661 -7.560 597 HA MET 81 HA MET 81 1.798 4.948 -8.393 598 1HB MET 81 2HB MET 81 -0.479 4.939 -9.570 599 2HB MET 81 1HB MET 81 -0.938 6.220 -8.448 600 1HG MET 81 2HG MET 81 1.582 6.990 -9.398 601 2HG MET 81 1HG MET 81 0.742 6.372 -10.820 602 1HE MET 81 1HE MET 81 -1.851 7.736 -11.703 603 2HE MET 81 2HE MET 81 -2.728 8.029 -10.204 604 3HE MET 81 3HE MET 81 -1.875 6.505 -10.433 605 H VAL 82 H VAL 82 -0.818 6.120 -6.252 606 HA VAL 82 HA VAL 82 0.582 8.446 -5.395 607 HB VAL 82 HB VAL 82 -1.100 8.515 -3.548 608 1HG1 VAL 82 1HG1 VAL 82 -1.635 9.563 -5.667 609 2HG1 VAL 82 2HG1 VAL 82 -3.076 8.731 -5.082 610 3HG1 VAL 82 3HG1 VAL 82 -2.101 8.010 -6.363 611 1HG2 VAL 82 1HG2 VAL 82 -1.254 5.960 -3.438 612 2HG2 VAL 82 2HG2 VAL 82 -2.293 6.065 -4.859 613 3HG2 VAL 82 3HG2 VAL 82 -2.782 6.835 -3.349 614 H ARG 83 H ARG 83 0.574 5.117 -4.335 615 HA ARG 83 HA ARG 83 1.698 5.447 -1.754 616 1HB ARG 83 2HB ARG 83 1.809 3.165 -3.735 617 2HB ARG 83 1HB ARG 83 2.534 3.073 -2.132 618 1HG ARG 83 2HG ARG 83 -0.217 4.078 -2.066 619 2HG ARG 83 1HG ARG 83 -0.101 2.455 -2.750 620 1HD ARG 83 2HD ARG 83 1.069 1.646 -0.795 621 2HD ARG 83 1HD ARG 83 1.207 3.274 -0.143 622 HE ARG 83 HE ARG 83 -1.531 2.631 -0.530 623 1HH1 ARG 83 2HH1 ARG 83 1.208 1.869 1.498 624 2HH1 ARG 83 1HH1 ARG 83 0.238 1.463 2.872 625 1HH2 ARG 83 1HH2 ARG 83 -2.785 2.091 1.283 626 2HH2 ARG 83 2HH2 ARG 83 -2.017 1.588 2.752 627 H CYS 84 H CYS 84 3.105 5.116 -4.982 628 HA CYS 84 HA CYS 84 5.839 5.086 -4.056 629 1HB CYS 84 2HB CYS 84 4.602 5.419 -6.794 630 2HB CYS 84 1HB CYS 84 6.342 5.450 -6.516 631 HG CYS 84 HG CYS 84 6.338 2.984 -6.267 632 H MET 85 H MET 85 3.666 7.491 -5.522 633 HA MET 85 HA MET 85 5.563 9.600 -5.702 634 1HB MET 85 2HB MET 85 3.103 9.311 -6.691 635 2HB MET 85 1HB MET 85 2.678 10.218 -5.240 636 1HG MET 85 2HG MET 85 4.951 11.176 -6.951 637 2HG MET 85 1HG MET 85 3.293 11.496 -7.456 638 1HE MET 85 1HE MET 85 5.829 13.764 -4.699 639 2HE MET 85 2HE MET 85 5.636 13.867 -6.447 640 3HE MET 85 3HE MET 85 6.196 12.364 -5.716 641 H LYS 86 H LYS 86 3.181 8.700 -3.248 642 HA LYS 86 HA LYS 86 3.122 9.071 -0.981 643 1HB LYS 86 2HB LYS 86 5.694 9.097 -1.162 644 2HB LYS 86 1HB LYS 86 5.546 10.854 -1.173 645 1HG LYS 86 2HG LYS 86 5.843 10.274 1.116 646 2HG LYS 86 1HG LYS 86 4.118 10.592 0.944 647 1HD LYS 86 2HD LYS 86 3.925 8.566 1.986 648 2HD LYS 86 1HD LYS 86 4.159 7.947 0.351 649 1HE LYS 86 2HE LYS 86 6.274 7.203 0.794 650 2HE LYS 86 1HE LYS 86 6.644 8.570 1.844 651 1HZ LYS 86 1HZ LYS 86 6.499 6.468 3.062 652 2HZ LYS 86 2HZ LYS 86 4.883 6.290 2.571 653 3HZ LYS 86 3HZ LYS 86 5.328 7.579 3.585 654 H ASP 87 H ASP 87 1.444 10.268 -0.463 655 HA ASP 87 HA ASP 87 1.299 13.064 -1.375 656 1HB ASP 87 2HB ASP 87 -0.764 11.080 -0.416 657 2HB ASP 87 1HB ASP 87 -1.119 12.806 -0.498 658 H ASP 88 H ASP 88 3.097 12.406 0.757 659 HA ASP 88 HA ASP 88 2.278 14.337 2.705 660 1HB ASP 88 2HB ASP 88 1.122 12.036 3.312 661 2HB ASP 88 1HB ASP 88 2.724 11.640 3.933 662 H SER 89 HN SER 89 4.413 14.521 1.179 663 HA SER 89 HA SER 89 6.770 13.270 2.269 664 1HB SER 89 2HB SER 89 7.963 14.960 0.791 665 2HB SER 89 1HB SER 89 6.882 13.846 -0.038 666 HG SER 89 HG SER 89 6.758 16.556 0.205 Start of MODEL 13 1 1H MET 1 1H MET 1 -9.988 6.009 8.260 2 2H MET 1 2H MET 1 -10.314 4.731 9.330 3 3H MET 1 3H MET 1 -10.163 4.429 7.665 4 HA MET 1 HA MET 1 -8.026 5.231 9.562 5 1HB MET 1 2HB MET 1 -8.598 2.775 7.889 6 2HB MET 1 1HB MET 1 -6.999 3.102 8.555 7 1HG MET 1 2HG MET 1 -7.798 1.938 10.350 8 2HG MET 1 1HG MET 1 -8.529 3.487 10.769 9 1HE MET 1 1HE MET 1 -10.496 -0.403 9.710 10 2HE MET 1 2HE MET 1 -9.113 -0.020 10.732 11 3HE MET 1 3HE MET 1 -8.959 0.080 8.980 12 H ASN 2 H ASN 2 -8.362 4.070 6.191 13 HA ASN 2 HA ASN 2 -6.325 6.053 5.376 14 1HB ASN 2 2HB ASN 2 -7.023 3.308 4.441 15 2HB ASN 2 1HB ASN 2 -6.475 4.460 3.225 16 1HD2 ASN 2 1HD2 ASN 2 -5.443 4.022 6.669 17 2HD2 ASN 2 2HD2 ASN 2 -3.804 3.801 6.291 18 H ASP 3 H ASP 3 -7.883 7.749 5.312 19 HA ASP 3 HA ASP 3 -9.943 7.541 3.217 20 1HB ASP 3 2HB ASP 3 -9.534 9.551 5.438 21 2HB ASP 3 1HB ASP 3 -10.779 9.694 4.198 22 H ILE 4 H ILE 4 -6.977 9.214 4.034 23 HA ILE 4 HA ILE 4 -7.223 11.298 2.099 24 HB ILE 4 HB ILE 4 -4.807 11.665 2.449 25 1HG1 ILE 4 2HG1 ILE 4 -4.040 10.063 4.521 26 2HG1 ILE 4 1HG1 ILE 4 -5.020 8.933 3.588 27 1HG2 ILE 4 1HG2 ILE 4 -6.367 11.139 4.996 28 2HG2 ILE 4 2HG2 ILE 4 -6.443 12.610 4.028 29 3HG2 ILE 4 3HG2 ILE 4 -4.948 12.177 4.857 30 1HD1 ILE 4 1HD1 ILE 4 -3.075 10.644 2.101 31 2HD1 ILE 4 2HD1 ILE 4 -3.610 8.999 1.761 32 3HD1 ILE 4 3HD1 ILE 4 -2.436 9.298 3.043 33 H TYR 5 H TYR 5 -5.896 8.035 2.008 34 HA TYR 5 HA TYR 5 -4.596 8.256 -0.521 35 1HB TYR 5 2HB TYR 5 -5.661 5.856 0.986 36 2HB TYR 5 1HB TYR 5 -4.769 5.735 -0.531 37 HD1 TYR 5 HD1 TYR 5 -2.394 6.445 -0.660 38 HD2 TYR 5 HD2 TYR 5 -4.559 6.459 3.051 39 HE1 TYR 5 HE1 TYR 5 -0.257 6.641 0.589 40 HE2 TYR 5 HE2 TYR 5 -2.427 6.653 4.297 41 HH TYR 5 HH TYR 5 0.194 7.700 3.306 42 H LYS 6 H LYS 6 -7.855 7.351 0.498 43 HA LYS 6 HA LYS 6 -8.750 6.639 -2.152 44 1HB LYS 6 2HB LYS 6 -9.748 5.718 -0.035 45 2HB LYS 6 1HB LYS 6 -10.430 7.314 0.275 46 1HG LYS 6 2HG LYS 6 -11.168 6.817 -2.355 47 2HG LYS 6 1HG LYS 6 -11.319 5.236 -1.593 48 1HD LYS 6 2HD LYS 6 -13.431 6.434 -1.369 49 2HD LYS 6 1HD LYS 6 -12.682 6.280 0.220 50 1HE LYS 6 2HE LYS 6 -12.469 8.520 0.444 51 2HE LYS 6 1HE LYS 6 -11.816 8.695 -1.183 52 1HZ LYS 6 1HZ LYS 6 -14.064 8.558 -2.062 53 2HZ LYS 6 2HZ LYS 6 -13.926 9.841 -0.957 54 3HZ LYS 6 3HZ LYS 6 -14.690 8.396 -0.494 55 H ALA 7 H ALA 7 -8.675 9.529 -0.164 56 HA ALA 7 HA ALA 7 -10.553 11.056 -1.674 57 1HB ALA 7 1HB ALA 7 -9.431 13.017 -0.525 58 2HB ALA 7 2HB ALA 7 -8.356 11.848 0.241 59 3HB ALA 7 3HB ALA 7 -10.091 11.787 0.552 60 H ALA 8 H ALA 8 -7.180 10.275 -2.128 61 HA ALA 8 HA ALA 8 -6.720 12.459 -3.998 62 1HB ALA 8 1HB ALA 8 -4.863 10.145 -3.840 63 2HB ALA 8 2HB ALA 8 -5.012 11.158 -2.406 64 3HB ALA 8 3HB ALA 8 -4.505 11.868 -3.939 65 H VAL 9 H VAL 9 -7.075 8.919 -4.121 66 HA VAL 9 HA VAL 9 -6.687 8.621 -6.895 67 HB VAL 9 HB VAL 9 -6.681 6.736 -5.258 68 1HG1 VAL 9 1HG1 VAL 9 -8.653 7.349 -3.948 69 2HG1 VAL 9 2HG1 VAL 9 -8.874 5.744 -4.640 70 3HG1 VAL 9 3HG1 VAL 9 -9.688 7.133 -5.359 71 1HG2 VAL 9 1HG2 VAL 9 -8.760 6.193 -7.374 72 2HG2 VAL 9 2HG2 VAL 9 -7.442 5.156 -6.828 73 3HG2 VAL 9 3HG2 VAL 9 -7.096 6.569 -7.824 74 H GLU 10 H GLU 10 -9.504 9.634 -5.050 75 HA GLU 10 HA GLU 10 -11.382 9.270 -7.189 76 1HB GLU 10 2HB GLU 10 -12.935 10.521 -5.789 77 2HB GLU 10 1HB GLU 10 -12.082 9.321 -4.822 78 1HG GLU 10 2HG GLU 10 -10.717 10.938 -3.790 79 2HG GLU 10 1HG GLU 10 -11.054 12.148 -5.027 80 H GLN 11 H GLN 11 -9.027 11.705 -6.417 81 HA GLN 11 HA GLN 11 -10.359 13.801 -7.938 82 1HB GLN 11 2HB GLN 11 -7.459 13.914 -7.187 83 2HB GLN 11 1HB GLN 11 -8.629 15.228 -7.305 84 1HG GLN 11 2HG GLN 11 -9.838 13.975 -5.352 85 2HG GLN 11 1HG GLN 11 -8.271 13.204 -5.120 86 1HE2 GLN 11 1HE2 GLN 11 -7.597 14.287 -3.199 87 2HE2 GLN 11 2HE2 GLN 11 -7.377 15.968 -3.110 88 H LEU 12 H LEU 12 -8.129 11.241 -8.491 89 HA LEU 12 HA LEU 12 -6.630 12.059 -10.662 90 1HB LEU 12 2HB LEU 12 -7.903 9.360 -10.243 91 2HB LEU 12 1HB LEU 12 -6.619 9.699 -11.380 92 HG LEU 12 HG LEU 12 -6.512 9.521 -8.391 93 1HD1 LEU 12 1HD1 LEU 12 -5.649 7.556 -9.119 94 2HD1 LEU 12 2HD1 LEU 12 -4.209 8.498 -9.501 95 3HD1 LEU 12 3HD1 LEU 12 -5.405 8.167 -10.757 96 1HD2 LEU 12 1HD2 LEU 12 -4.102 10.463 -8.736 97 2HD2 LEU 12 2HD2 LEU 12 -5.441 11.606 -8.617 98 3HD2 LEU 12 3HD2 LEU 12 -4.769 11.194 -10.197 99 H THR 13 H THR 13 -6.829 11.885 -12.890 100 HA THR 13 HA THR 13 -9.557 12.271 -13.904 101 HB THR 13 HB THR 13 -7.904 12.535 -16.079 102 HG1 THR 13 HG1 THR 13 -5.985 12.512 -15.157 103 1HG2 THR 13 1HG2 THR 13 -7.953 15.075 -15.177 104 2HG2 THR 13 2HG2 THR 13 -9.175 14.358 -14.125 105 3HG2 THR 13 3HG2 THR 13 -9.354 14.265 -15.877 106 H ASP 14 H ASP 14 -9.943 11.319 -16.155 107 HA ASP 14 HA ASP 14 -9.890 8.492 -16.003 108 1HB ASP 14 2HB ASP 14 -11.352 10.159 -17.476 109 2HB ASP 14 1HB ASP 14 -10.092 9.832 -18.666 110 H GLU 15 H GLU 15 -7.753 10.881 -17.450 111 HA GLU 15 HA GLU 15 -6.184 9.098 -19.026 112 1HB GLU 15 2HB GLU 15 -5.765 11.863 -17.929 113 2HB GLU 15 1HB GLU 15 -4.426 10.999 -18.684 114 1HG GLU 15 2HG GLU 15 -5.887 10.620 -20.694 115 2HG GLU 15 1HG GLU 15 -7.101 11.659 -19.947 116 H GLN 16 H GLN 16 -5.940 10.277 -15.686 117 HA GLN 16 HA GLN 16 -3.409 9.186 -15.049 118 1HB GLN 16 2HB GLN 16 -5.010 10.794 -13.686 119 2HB GLN 16 1HB GLN 16 -5.569 9.279 -12.979 120 1HG GLN 16 2HG GLN 16 -3.772 9.284 -11.628 121 2HG GLN 16 1HG GLN 16 -2.736 9.128 -13.047 122 1HE2 GLN 16 1HE2 GLN 16 -3.147 11.683 -14.252 123 2HE2 GLN 16 2HE2 GLN 16 -2.546 12.879 -13.209 124 H LYS 17 H LYS 17 -6.688 7.881 -14.536 125 HA LYS 17 HA LYS 17 -5.870 5.379 -13.486 126 1HB LYS 17 2HB LYS 17 -8.400 6.151 -14.965 127 2HB LYS 17 1HB LYS 17 -8.158 4.609 -14.144 128 1HG LYS 17 2HG LYS 17 -8.251 5.555 -12.039 129 2HG LYS 17 1HG LYS 17 -7.622 7.106 -12.591 130 1HD LYS 17 2HD LYS 17 -9.880 7.589 -12.171 131 2HD LYS 17 1HD LYS 17 -9.868 7.279 -13.907 132 1HE LYS 17 2HE LYS 17 -10.583 4.959 -13.514 133 2HE LYS 17 1HE LYS 17 -10.565 5.238 -11.773 134 1HZ LYS 17 1HZ LYS 17 -12.262 6.694 -13.729 135 2HZ LYS 17 2HZ LYS 17 -12.260 6.924 -12.046 136 3HZ LYS 17 3HZ LYS 17 -12.793 5.452 -12.704 137 H ASN 18 H ASN 18 -6.381 6.569 -16.771 138 HA ASN 18 HA ASN 18 -6.247 4.093 -18.138 139 1HB ASN 18 2HB ASN 18 -5.789 6.950 -18.942 140 2HB ASN 18 1HB ASN 18 -5.395 5.648 -20.061 141 1HD2 ASN 18 1HD2 ASN 18 -7.549 7.592 -20.464 142 2HD2 ASN 18 2HD2 ASN 18 -9.005 6.719 -20.481 143 H GLU 19 H GLU 19 -3.747 6.247 -16.886 144 HA GLU 19 HA GLU 19 -1.523 5.345 -18.345 145 1HB GLU 19 2HB GLU 19 -1.397 5.984 -15.391 146 2HB GLU 19 1HB GLU 19 -0.130 6.182 -16.599 147 1HG GLU 19 2HG GLU 19 -2.044 7.733 -17.704 148 2HG GLU 19 1HG GLU 19 -2.466 7.907 -16.001 149 H PHE 20 H PHE 20 -2.799 4.178 -15.234 150 HA PHE 20 HA PHE 20 -1.003 1.912 -15.175 151 1HB PHE 20 2HB PHE 20 -3.298 2.827 -13.458 152 2HB PHE 20 1HB PHE 20 -2.552 1.247 -13.225 153 HD1 PHE 20 HD1 PHE 20 -1.984 4.907 -13.138 154 HD2 PHE 20 HD2 PHE 20 -0.303 1.026 -12.360 155 HE1 PHE 20 HE1 PHE 20 -0.144 5.958 -11.852 156 HE2 PHE 20 HE2 PHE 20 1.525 2.070 -11.067 157 HZ PHE 20 HZ PHE 20 1.615 4.541 -10.815 158 H LYS 21 H LYS 21 -4.471 2.423 -15.800 159 HA LYS 21 HA LYS 21 -5.312 -0.222 -16.018 160 1HB LYS 21 2HB LYS 21 -6.831 1.730 -16.063 161 2HB LYS 21 1HB LYS 21 -6.271 2.113 -17.689 162 1HG LYS 21 2HG LYS 21 -7.057 -0.676 -17.498 163 2HG LYS 21 1HG LYS 21 -8.376 0.383 -16.999 164 1HD LYS 21 2HD LYS 21 -6.872 1.165 -19.453 165 2HD LYS 21 1HD LYS 21 -7.939 -0.235 -19.578 166 1HE LYS 21 2HE LYS 21 -9.842 1.049 -18.856 167 2HE LYS 21 1HE LYS 21 -8.823 2.423 -18.427 168 1HZ LYS 21 1HZ LYS 21 -9.235 1.340 -21.162 169 2HZ LYS 21 2HZ LYS 21 -8.204 2.631 -20.765 170 3HZ LYS 21 3HZ LYS 21 -9.883 2.784 -20.552 171 H ALA 22 H ALA 22 -3.621 1.786 -18.398 172 HA ALA 22 HA ALA 22 -3.930 0.111 -20.653 173 1HB ALA 22 1HB ALA 22 -1.587 1.893 -19.938 174 2HB ALA 22 2HB ALA 22 -3.033 2.405 -20.808 175 3HB ALA 22 3HB ALA 22 -1.931 1.238 -21.538 176 H ALA 23 H ALA 23 -1.257 0.340 -18.305 177 HA ALA 23 HA ALA 23 0.188 -1.915 -19.272 178 1HB ALA 23 1HB ALA 23 0.216 -0.428 -16.637 179 2HB ALA 23 2HB ALA 23 1.402 -0.348 -17.942 180 3HB ALA 23 3HB ALA 23 1.269 -1.806 -16.959 181 H PHE 24 H PHE 24 -2.324 -1.445 -16.864 182 HA PHE 24 HA PHE 24 -2.224 -3.960 -15.597 183 1HB PHE 24 2HB PHE 24 -3.557 -1.831 -14.950 184 2HB PHE 24 1HB PHE 24 -4.787 -2.442 -16.056 185 HD1 PHE 24 HD1 PHE 24 -5.778 -4.728 -15.667 186 HD2 PHE 24 HD2 PHE 24 -3.229 -2.799 -12.803 187 HE1 PHE 24 HE1 PHE 24 -6.573 -6.284 -13.912 188 HE2 PHE 24 HE2 PHE 24 -4.026 -4.349 -11.048 189 HZ PHE 24 HZ PHE 24 -5.701 -6.092 -11.598 190 H ASP 25 H ASP 25 -4.118 -2.807 -18.380 191 HA ASP 25 HA ASP 25 -5.600 -5.162 -18.822 192 1HB ASP 25 2HB ASP 25 -4.969 -2.724 -20.376 193 2HB ASP 25 1HB ASP 25 -5.447 -4.136 -21.320 194 H ILE 26 H ILE 26 -2.382 -4.224 -19.989 195 HA ILE 26 HA ILE 26 -2.202 -6.489 -21.777 196 HB ILE 26 HB ILE 26 0.168 -5.783 -22.079 197 1HG1 ILE 26 2HG1 ILE 26 -0.592 -3.526 -20.193 198 2HG1 ILE 26 1HG1 ILE 26 0.461 -4.869 -19.758 199 1HG2 ILE 26 1HG2 ILE 26 -1.791 -4.832 -23.368 200 2HG2 ILE 26 2HG2 ILE 26 -0.380 -3.777 -23.292 201 3HG2 ILE 26 3HG2 ILE 26 -1.772 -3.463 -22.255 202 1HD1 ILE 26 1HD1 ILE 26 1.272 -3.593 -22.258 203 2HD1 ILE 26 2HD1 ILE 26 2.227 -3.953 -20.820 204 3HD1 ILE 26 3HD1 ILE 26 1.274 -2.471 -20.896 205 H PHE 27 H PHE 27 -0.969 -5.721 -18.531 206 HA PHE 27 HA PHE 27 0.649 -8.082 -18.355 207 1HB PHE 27 2HB PHE 27 -0.349 -6.161 -16.249 208 2HB PHE 27 1HB PHE 27 0.686 -7.542 -15.883 209 HD1 PHE 27 HD1 PHE 27 0.947 -4.207 -16.154 210 HD2 PHE 27 HD2 PHE 27 2.557 -7.695 -18.076 211 HE1 PHE 27 HE1 PHE 27 2.914 -2.897 -16.894 212 HE2 PHE 27 HE2 PHE 27 4.526 -6.384 -18.805 213 HZ PHE 27 HZ PHE 27 4.704 -3.986 -18.216 214 H ILE 28 H ILE 28 -2.682 -7.301 -17.393 215 HA ILE 28 HA ILE 28 -2.992 -9.948 -16.179 216 HB ILE 28 HB ILE 28 -5.161 -9.267 -15.460 217 1HG1 ILE 28 2HG1 ILE 28 -5.779 -6.762 -16.235 218 2HG1 ILE 28 1HG1 ILE 28 -4.889 -7.281 -17.669 219 1HG2 ILE 28 1HG2 ILE 28 -2.952 -8.091 -14.564 220 2HG2 ILE 28 2HG2 ILE 28 -4.545 -7.617 -13.977 221 3HG2 ILE 28 3HG2 ILE 28 -3.739 -6.654 -15.212 222 1HD1 ILE 28 1HD1 ILE 28 -6.948 -9.124 -16.511 223 2HD1 ILE 28 2HD1 ILE 28 -6.417 -8.951 -18.184 224 3HD1 ILE 28 3HD1 ILE 28 -7.488 -7.745 -17.468 225 H GLN 29 H GLN 29 -3.140 -8.711 -19.291 226 HA GLN 29 HA GLN 29 -5.404 -9.770 -20.482 227 1HB GLN 29 2HB GLN 29 -3.763 -8.397 -21.700 228 2HB GLN 29 1HB GLN 29 -2.598 -9.718 -21.624 229 1HG GLN 29 2HG GLN 29 -3.945 -11.116 -23.015 230 2HG GLN 29 1HG GLN 29 -5.336 -10.043 -22.866 231 1HE2 GLN 29 1HE2 GLN 29 -5.012 -7.771 -23.831 232 2HE2 GLN 29 2HE2 GLN 29 -4.028 -7.638 -25.207 233 H ASP 30 H ASP 30 -2.329 -11.403 -19.773 234 HA ASP 30 HA ASP 30 -3.501 -13.977 -20.601 235 1HB ASP 30 2HB ASP 30 -0.654 -13.124 -20.047 236 2HB ASP 30 1HB ASP 30 -1.122 -14.799 -20.338 237 H ALA 31 H ALA 31 -4.044 -12.471 -17.993 238 HA ALA 31 HA ALA 31 -3.011 -14.419 -16.045 239 1HB ALA 31 1HB ALA 31 -3.657 -12.879 -14.334 240 2HB ALA 31 2HB ALA 31 -4.607 -11.918 -15.467 241 3HB ALA 31 3HB ALA 31 -2.847 -11.933 -15.583 242 H GLU 32 H GLU 32 -4.402 -15.511 -14.629 243 HA GLU 32 HA GLU 32 -7.140 -15.889 -15.690 244 1HB GLU 32 2HB GLU 32 -5.369 -17.744 -14.075 245 2HB GLU 32 1HB GLU 32 -7.054 -18.082 -14.473 246 1HG GLU 32 2HG GLU 32 -6.589 -18.528 -16.666 247 2HG GLU 32 1HG GLU 32 -5.335 -17.292 -16.758 248 H ASP 33 H ASP 33 -6.740 -13.666 -14.112 249 HA ASP 33 HA ASP 33 -8.538 -14.205 -11.905 250 1HB ASP 33 2HB ASP 33 -6.061 -14.617 -11.136 251 2HB ASP 33 1HB ASP 33 -5.981 -12.855 -11.113 252 H GLY 34 H GLY 34 -6.296 -11.822 -13.317 253 1HA GLY 34 2HA GLY 34 -7.224 -9.820 -14.376 254 2HA GLY 34 1HA GLY 34 -8.432 -9.779 -13.094 255 H CYS 35 H CYS 35 -4.948 -10.371 -12.806 256 HA CYS 35 HA CYS 35 -4.503 -7.748 -11.581 257 1HB CYS 35 2HB CYS 35 -3.836 -10.337 -10.154 258 2HB CYS 35 1HB CYS 35 -3.459 -8.710 -9.589 259 HG CYS 35 HG CYS 35 -6.303 -9.968 -9.648 260 H ILE 36 H ILE 36 -2.313 -7.116 -11.606 261 HA ILE 36 HA ILE 36 -0.720 -8.486 -13.611 262 HB ILE 36 HB ILE 36 0.708 -6.622 -13.638 263 1HG1 ILE 36 2HG1 ILE 36 0.130 -4.901 -11.555 264 2HG1 ILE 36 1HG1 ILE 36 0.038 -6.481 -10.775 265 1HG2 ILE 36 1HG2 ILE 36 -0.737 -4.739 -13.893 266 2HG2 ILE 36 2HG2 ILE 36 -1.894 -5.380 -12.726 267 3HG2 ILE 36 3HG2 ILE 36 -1.704 -6.156 -14.299 268 1HD1 ILE 36 1HD1 ILE 36 2.288 -6.650 -10.785 269 2HD1 ILE 36 2HD1 ILE 36 2.381 -5.031 -11.478 270 3HD1 ILE 36 3HD1 ILE 36 2.316 -6.438 -12.536 271 H SER 37 H SER 37 1.647 -8.871 -13.177 272 HA SER 37 HA SER 37 1.867 -10.507 -10.779 273 1HB SER 37 2HB SER 37 2.809 -10.857 -13.311 274 2HB SER 37 1HB SER 37 4.238 -10.206 -12.514 275 HG SER 37 HG SER 37 3.909 -12.555 -12.400 276 H THR 38 H THR 38 2.395 -9.518 -8.936 277 HA THR 38 HA THR 38 3.627 -7.034 -8.612 278 HB THR 38 HB THR 38 4.141 -7.755 -6.295 279 HG1 THR 38 HG1 THR 38 4.547 -9.796 -6.104 280 1HG2 THR 38 1HG2 THR 38 1.454 -8.385 -7.496 281 2HG2 THR 38 2HG2 THR 38 1.935 -6.973 -6.556 282 3HG2 THR 38 3HG2 THR 38 1.734 -8.535 -5.762 283 H LYS 39 H LYS 39 5.048 -10.268 -8.830 284 HA LYS 39 HA LYS 39 7.715 -9.608 -8.212 285 1HB LYS 39 2HB LYS 39 8.337 -11.659 -9.420 286 2HB LYS 39 1HB LYS 39 6.937 -11.943 -8.387 287 1HG LYS 39 2HG LYS 39 5.491 -11.468 -10.438 288 2HG LYS 39 1HG LYS 39 6.973 -11.550 -11.389 289 1HD LYS 39 2HD LYS 39 6.486 -13.792 -9.492 290 2HD LYS 39 1HD LYS 39 5.439 -13.714 -10.909 291 1HE LYS 39 2HE LYS 39 7.530 -13.487 -12.322 292 2HE LYS 39 1HE LYS 39 8.464 -13.847 -10.871 293 1HZ LYS 39 1HZ LYS 39 8.085 -15.853 -12.108 294 2HZ LYS 39 2HZ LYS 39 6.408 -15.586 -12.124 295 3HZ LYS 39 3HZ LYS 39 7.204 -15.927 -10.661 296 H GLU 40 H GLU 40 5.843 -9.245 -11.159 297 HA GLU 40 HA GLU 40 8.215 -8.249 -12.598 298 1HB GLU 40 2HB GLU 40 5.501 -9.191 -13.527 299 2HB GLU 40 1HB GLU 40 6.609 -8.318 -14.586 300 1HG GLU 40 2HG GLU 40 8.098 -10.063 -14.704 301 2HG GLU 40 1HG GLU 40 7.742 -10.616 -13.067 302 H LEU 41 H LEU 41 6.788 -6.729 -10.467 303 HA LEU 41 HA LEU 41 5.089 -4.748 -11.470 304 1HB LEU 41 2HB LEU 41 5.993 -5.268 -9.031 305 2HB LEU 41 1HB LEU 41 7.140 -4.015 -9.432 306 HG LEU 41 HG LEU 41 5.090 -3.275 -8.145 307 1HD1 LEU 41 1HD1 LEU 41 5.183 -1.898 -10.818 308 2HD1 LEU 41 2HD1 LEU 41 6.594 -1.871 -9.759 309 3HD1 LEU 41 3HD1 LEU 41 5.065 -1.190 -9.207 310 1HD2 LEU 41 1HD2 LEU 41 2.977 -3.151 -9.233 311 2HD2 LEU 41 2HD2 LEU 41 3.564 -4.778 -9.578 312 3HD2 LEU 41 3HD2 LEU 41 3.678 -3.519 -10.808 313 H GLY 42 H GLY 42 8.617 -5.005 -11.572 314 1HA GLY 42 2HA GLY 42 9.279 -2.394 -12.356 315 2HA GLY 42 1HA GLY 42 10.204 -3.834 -12.767 316 H LYS 43 H LYS 43 7.973 -5.099 -14.200 317 HA LYS 43 HA LYS 43 8.454 -4.100 -16.811 318 1HB LYS 43 2HB LYS 43 6.247 -5.937 -15.840 319 2HB LYS 43 1HB LYS 43 6.689 -5.674 -17.526 320 1HG LYS 43 2HG LYS 43 9.046 -6.417 -16.894 321 2HG LYS 43 1HG LYS 43 8.369 -6.941 -15.351 322 1HD LYS 43 2HD LYS 43 8.245 -8.893 -16.646 323 2HD LYS 43 1HD LYS 43 6.629 -8.213 -16.825 324 1HE LYS 43 2HE LYS 43 7.930 -6.955 -18.865 325 2HE LYS 43 1HE LYS 43 8.792 -8.493 -18.828 326 1HZ LYS 43 1HZ LYS 43 6.839 -8.552 -20.278 327 2HZ LYS 43 2HZ LYS 43 5.838 -8.197 -18.952 328 3HZ LYS 43 3HZ LYS 43 6.705 -9.657 -18.998 329 H VAL 44 H VAL 44 6.036 -3.373 -14.398 330 HA VAL 44 HA VAL 44 4.397 -1.892 -16.316 331 HB VAL 44 HB VAL 44 2.664 -2.029 -14.848 332 1HG1 VAL 44 1HG1 VAL 44 4.062 -3.993 -13.124 333 2HG1 VAL 44 2HG1 VAL 44 4.110 -4.324 -14.854 334 3HG1 VAL 44 3HG1 VAL 44 2.558 -4.153 -14.034 335 1HG2 VAL 44 1HG2 VAL 44 4.727 -1.390 -12.767 336 2HG2 VAL 44 2HG2 VAL 44 3.206 -2.110 -12.250 337 3HG2 VAL 44 3HG2 VAL 44 3.201 -0.575 -13.120 338 H MET 45 H MET 45 6.613 -1.389 -13.625 339 HA MET 45 HA MET 45 6.213 1.356 -13.187 340 1HB MET 45 2HB MET 45 8.651 -0.400 -12.878 341 2HB MET 45 1HB MET 45 8.668 1.312 -12.461 342 1HG MET 45 2HG MET 45 6.412 -0.304 -11.384 343 2HG MET 45 1HG MET 45 8.003 -0.590 -10.680 344 1HE MET 45 1HE MET 45 4.896 1.650 -9.713 345 2HE MET 45 2HE MET 45 5.166 1.376 -11.432 346 3HE MET 45 3HE MET 45 5.333 3.000 -10.770 347 H ARG 46 H ARG 46 8.225 -0.368 -15.559 348 HA ARG 46 HA ARG 46 9.590 1.881 -16.594 349 1HB ARG 46 2HB ARG 46 9.954 0.519 -18.629 350 2HB ARG 46 1HB ARG 46 10.323 -0.372 -17.155 351 1HG ARG 46 2HG ARG 46 8.240 -1.571 -17.264 352 2HG ARG 46 1HG ARG 46 7.655 -0.551 -18.577 353 1HD ARG 46 2HD ARG 46 8.407 -2.310 -19.838 354 2HD ARG 46 1HD ARG 46 9.916 -1.411 -19.727 355 HE ARG 46 HE ARG 46 10.058 -3.014 -17.555 356 1HH1 ARG 46 2HH1 ARG 46 9.275 -3.642 -20.902 357 2HH1 ARG 46 1HH1 ARG 46 9.864 -5.268 -20.864 358 1HH2 ARG 46 1HH2 ARG 46 10.821 -5.149 -17.530 359 2HH2 ARG 46 2HH2 ARG 46 10.738 -6.120 -18.961 360 H MET 47 H MET 47 6.395 0.557 -17.251 361 HA MET 47 HA MET 47 5.798 2.154 -19.544 362 1HB MET 47 2HB MET 47 4.412 0.242 -17.860 363 2HB MET 47 1HB MET 47 3.384 1.632 -18.204 364 1HG MET 47 2HG MET 47 3.148 -0.129 -19.932 365 2HG MET 47 1HG MET 47 3.792 1.366 -20.610 366 1HE MET 47 1HE MET 47 4.299 -2.419 -20.909 367 2HE MET 47 2HE MET 47 4.299 -1.980 -19.203 368 3HE MET 47 3HE MET 47 5.753 -2.658 -19.931 369 H LEU 48 H LEU 48 5.556 2.612 -16.064 370 HA LEU 48 HA LEU 48 3.977 5.013 -16.168 371 1HB LEU 48 2HB LEU 48 5.514 3.546 -14.070 372 2HB LEU 48 1HB LEU 48 5.090 5.213 -13.772 373 HG LEU 48 HG LEU 48 3.342 4.072 -12.758 374 1HD1 LEU 48 1HD1 LEU 48 1.373 4.458 -14.069 375 2HD1 LEU 48 2HD1 LEU 48 2.266 4.278 -15.580 376 3HD1 LEU 48 3HD1 LEU 48 2.543 5.685 -14.553 377 1HD2 LEU 48 1HD2 LEU 48 2.381 2.009 -13.535 378 2HD2 LEU 48 2HD2 LEU 48 4.131 1.844 -13.691 379 3HD2 LEU 48 3HD2 LEU 48 3.147 2.180 -15.115 380 H GLY 49 H GLY 49 7.398 4.229 -16.189 381 1HA GLY 49 2HA GLY 49 8.809 5.888 -17.400 382 2HA GLY 49 1HA GLY 49 8.042 7.116 -16.403 383 H GLN 50 H GLN 50 8.998 3.966 -15.126 384 HA GLN 50 HA GLN 50 11.493 4.980 -14.020 385 1HB GLN 50 2HB GLN 50 10.829 4.517 -11.667 386 2HB GLN 50 1HB GLN 50 9.934 5.860 -12.375 387 1HG GLN 50 2HG GLN 50 8.430 3.565 -13.000 388 2HG GLN 50 1HG GLN 50 8.931 3.348 -11.324 389 1HE2 GLN 50 1HE2 GLN 50 7.427 5.808 -13.491 390 2HE2 GLN 50 2HE2 GLN 50 6.494 6.524 -12.267 391 H ASN 51 H ASN 51 12.687 3.297 -12.811 392 HA ASN 51 HA ASN 51 11.721 0.555 -13.148 393 1HB ASN 51 2HB ASN 51 12.982 1.298 -15.268 394 2HB ASN 51 1HB ASN 51 14.432 1.261 -14.263 395 1HD2 ASN 51 1HD2 ASN 51 11.613 -0.843 -15.107 396 2HD2 ASN 51 2HD2 ASN 51 12.498 -2.291 -15.043 397 HA PRO 52 HA PRO 52 14.139 0.954 -9.301 398 1HB PRO 52 2HB PRO 52 12.356 -0.439 -7.765 399 2HB PRO 52 1HB PRO 52 12.205 1.288 -8.120 400 1HG PRO 52 2HG PRO 52 10.643 -0.986 -9.165 401 2HG PRO 52 1HG PRO 52 10.195 0.720 -9.027 402 1HD PRO 52 2HD PRO 52 11.044 -0.644 -11.389 403 2HD PRO 52 1HD PRO 52 10.760 1.103 -11.203 404 H THR 53 H THR 53 14.056 -1.165 -7.494 405 HA THR 53 HA THR 53 15.323 -3.342 -9.037 406 HB THR 53 HB THR 53 16.679 -3.774 -7.177 407 HG1 THR 53 HG1 THR 53 15.972 -3.640 -5.194 408 1HG2 THR 53 1HG2 THR 53 17.603 -1.678 -6.457 409 2HG2 THR 53 2HG2 THR 53 16.090 -0.835 -6.787 410 3HG2 THR 53 3HG2 THR 53 17.056 -1.466 -8.120 411 HA PRO 54 HA PRO 54 12.215 -6.232 -7.815 412 1HB PRO 54 2HB PRO 54 13.591 -8.400 -6.852 413 2HB PRO 54 1HB PRO 54 13.469 -7.982 -8.569 414 1HG PRO 54 2HG PRO 54 15.744 -7.596 -6.688 415 2HG PRO 54 1HG PRO 54 15.762 -7.935 -8.426 416 1HD PRO 54 2HD PRO 54 16.200 -5.431 -7.296 417 2HD PRO 54 1HD PRO 54 15.693 -5.700 -8.979 418 H GLU 55 H GLU 55 14.599 -5.480 -5.349 419 HA GLU 55 HA GLU 55 12.983 -6.455 -3.142 420 1HB GLU 55 2HB GLU 55 15.468 -4.718 -3.154 421 2HB GLU 55 1HB GLU 55 14.713 -5.408 -1.717 422 1HG GLU 55 2HG GLU 55 15.655 -7.108 -4.040 423 2HG GLU 55 1HG GLU 55 16.688 -6.718 -2.666 424 H GLU 56 H GLU 56 13.663 -3.403 -4.779 425 HA GLU 56 HA GLU 56 12.386 -1.706 -2.867 426 1HB GLU 56 2HB GLU 56 14.068 -1.097 -4.769 427 2HB GLU 56 1HB GLU 56 12.624 -1.003 -5.777 428 1HG GLU 56 2HG GLU 56 11.637 0.660 -4.312 429 2HG GLU 56 1HG GLU 56 12.954 0.479 -3.153 430 H LEU 57 H LEU 57 11.334 -3.054 -6.017 431 HA LEU 57 HA LEU 57 8.757 -1.903 -5.983 432 1HB LEU 57 2HB LEU 57 8.161 -3.569 -7.660 433 2HB LEU 57 1HB LEU 57 9.680 -2.794 -8.027 434 HG LEU 57 HG LEU 57 10.683 -4.948 -6.847 435 1HD1 LEU 57 1HD1 LEU 57 9.083 -6.436 -6.261 436 2HD1 LEU 57 2HD1 LEU 57 8.836 -6.710 -7.985 437 3HD1 LEU 57 3HD1 LEU 57 7.838 -5.539 -7.127 438 1HD2 LEU 57 1HD2 LEU 57 11.095 -4.302 -9.171 439 2HD2 LEU 57 2HD2 LEU 57 9.494 -4.874 -9.639 440 3HD2 LEU 57 3HD2 LEU 57 10.719 -6.023 -9.104 441 H GLN 58 H GLN 58 10.019 -4.917 -4.623 442 HA GLN 58 HA GLN 58 7.509 -6.068 -3.952 443 1HB GLN 58 2HB GLN 58 10.330 -6.612 -3.349 444 2HB GLN 58 1HB GLN 58 9.233 -7.037 -2.036 445 1HG GLN 58 2HG GLN 58 8.865 -7.899 -4.922 446 2HG GLN 58 1HG GLN 58 9.569 -8.909 -3.659 447 1HE2 GLN 58 1HE2 GLN 58 6.593 -7.939 -5.098 448 2HE2 GLN 58 2HE2 GLN 58 5.554 -8.613 -3.936 449 H GLU 59 H GLU 59 9.642 -3.795 -2.285 450 HA GLU 59 HA GLU 59 8.319 -3.853 0.237 451 1HB GLU 59 2HB GLU 59 10.170 -1.909 -1.118 452 2HB GLU 59 1HB GLU 59 9.374 -1.468 0.393 453 1HG GLU 59 2HG GLU 59 10.716 -4.139 0.241 454 2HG GLU 59 1HG GLU 59 11.733 -2.707 0.391 455 H MET 60 H MET 60 7.896 -1.913 -2.697 456 HA MET 60 HA MET 60 5.931 -0.142 -1.613 457 1HB MET 60 2HB MET 60 6.384 -0.901 -4.509 458 2HB MET 60 1HB MET 60 5.504 0.511 -3.924 459 1HG MET 60 2HG MET 60 8.327 0.105 -3.007 460 2HG MET 60 1HG MET 60 8.048 0.706 -4.641 461 1HE MET 60 1HE MET 60 9.618 2.909 -3.010 462 2HE MET 60 2HE MET 60 8.601 4.143 -3.749 463 3HE MET 60 3HE MET 60 8.988 2.678 -4.647 464 H ILE 61 H ILE 61 5.789 -3.092 -3.552 465 HA ILE 61 HA ILE 61 2.972 -3.201 -3.837 466 HB ILE 61 HB ILE 61 5.006 -5.448 -3.875 467 1HG1 ILE 61 2HG1 ILE 61 3.632 -4.267 -6.273 468 2HG1 ILE 61 1HG1 ILE 61 5.018 -3.427 -5.577 469 1HG2 ILE 61 1HG2 ILE 61 3.329 -6.837 -4.812 470 2HG2 ILE 61 2HG2 ILE 61 2.246 -5.477 -5.109 471 3HG2 ILE 61 3HG2 ILE 61 2.522 -6.044 -3.462 472 1HD1 ILE 61 1HD1 ILE 61 4.896 -6.092 -6.925 473 2HD1 ILE 61 2HD1 ILE 61 6.078 -5.868 -5.636 474 3HD1 ILE 61 3HD1 ILE 61 6.113 -4.824 -7.056 475 H ASP 62 H ASP 62 5.168 -4.805 -1.519 476 HA ASP 62 HA ASP 62 3.311 -6.265 -0.058 477 1HB ASP 62 2HB ASP 62 5.847 -6.238 0.216 478 2HB ASP 62 1HB ASP 62 5.624 -4.809 1.226 479 H GLU 63 H GLU 63 4.089 -2.824 0.139 480 HA GLU 63 HA GLU 63 2.551 -2.332 2.515 481 1HB GLU 63 2HB GLU 63 3.862 -0.593 0.448 482 2HB GLU 63 1HB GLU 63 2.754 0.110 1.627 483 1HG GLU 63 2HG GLU 63 4.174 -1.213 3.379 484 2HG GLU 63 1HG GLU 63 5.388 -1.267 2.101 485 H VAL 64 H VAL 64 2.004 -1.521 -0.936 486 HA VAL 64 HA VAL 64 -0.615 -0.505 -0.532 487 HB VAL 64 HB VAL 64 0.726 0.065 -2.512 488 1HG1 VAL 64 1HG1 VAL 64 1.091 -1.521 -4.298 489 2HG1 VAL 64 2HG1 VAL 64 0.146 -2.753 -3.462 490 3HG1 VAL 64 3HG1 VAL 64 1.699 -2.236 -2.806 491 1HG2 VAL 64 1HG2 VAL 64 -1.660 -1.397 -3.595 492 2HG2 VAL 64 2HG2 VAL 64 -1.093 0.235 -3.950 493 3HG2 VAL 64 3HG2 VAL 64 -1.912 -0.101 -2.425 494 H ASP 65 H ASP 65 0.561 -3.751 -1.371 495 HA ASP 65 HA ASP 65 -2.053 -4.838 -1.849 496 1HB ASP 65 2HB ASP 65 0.583 -5.724 -2.222 497 2HB ASP 65 1HB ASP 65 -0.092 -6.810 -1.013 498 H GLU 66 H GLU 66 -3.491 -4.797 -0.240 499 HA GLU 66 HA GLU 66 -2.826 -4.917 2.537 500 1HB GLU 66 2HB GLU 66 -5.523 -5.491 1.286 501 2HB GLU 66 1HB GLU 66 -5.206 -4.988 2.945 502 1HG GLU 66 2HG GLU 66 -4.203 -3.233 0.740 503 2HG GLU 66 1HG GLU 66 -5.932 -3.228 1.076 504 H ASP 67 H ASP 67 -4.137 -7.252 0.225 505 HA ASP 67 HA ASP 67 -4.234 -9.392 2.173 506 1HB ASP 67 2HB ASP 67 -4.778 -10.800 0.115 507 2HB ASP 67 1HB ASP 67 -5.923 -9.521 0.512 508 H GLY 68 H GLY 68 -2.121 -8.432 -0.504 509 1HA GLY 68 2HA GLY 68 0.077 -9.003 -0.939 510 2HA GLY 68 1HA GLY 68 0.103 -9.880 0.590 511 H SER 69 H SER 69 -1.896 -10.227 -2.329 512 HA SER 69 HA SER 69 -1.626 -13.111 -2.270 513 1HB SER 69 2HB SER 69 -3.090 -13.005 -4.300 514 2HB SER 69 1HB SER 69 -3.771 -12.204 -2.888 515 HG SER 69 HG SER 69 -3.822 -10.467 -4.059 516 H GLY 70 H GLY 70 0.352 -10.693 -3.513 517 1HA GLY 70 2HA GLY 70 2.297 -10.961 -4.769 518 2HA GLY 70 1HA GLY 70 1.770 -12.585 -5.202 519 H THR 71 H THR 71 -0.591 -10.115 -5.565 520 HA THR 71 HA THR 71 0.045 -9.635 -8.385 521 HB THR 71 HB THR 71 -2.140 -10.299 -9.166 522 HG1 THR 71 HG1 THR 71 -3.731 -10.884 -7.818 523 1HG2 THR 71 1HG2 THR 71 -0.446 -12.090 -8.987 524 2HG2 THR 71 2HG2 THR 71 -2.074 -12.721 -8.729 525 3HG2 THR 71 3HG2 THR 71 -1.005 -12.448 -7.352 526 H VAL 72 H VAL 72 -0.461 -7.598 -8.992 527 HA VAL 72 HA VAL 72 -1.679 -5.867 -6.971 528 HB VAL 72 HB VAL 72 -0.603 -4.987 -9.649 529 1HG1 VAL 72 1HG1 VAL 72 -0.801 -3.563 -6.980 530 2HG1 VAL 72 2HG1 VAL 72 -2.001 -3.423 -8.265 531 3HG1 VAL 72 3HG1 VAL 72 -0.354 -2.851 -8.530 532 1HG2 VAL 72 1HG2 VAL 72 1.189 -6.238 -8.560 533 2HG2 VAL 72 2HG2 VAL 72 0.890 -5.392 -7.038 534 3HG2 VAL 72 3HG2 VAL 72 1.526 -4.510 -8.426 535 H ASP 73 H ASP 73 -3.737 -5.340 -7.007 536 HA ASP 73 HA ASP 73 -5.406 -5.923 -9.329 537 1HB ASP 73 2HB ASP 73 -5.833 -5.605 -6.493 538 2HB ASP 73 1HB ASP 73 -6.873 -4.483 -7.368 539 H PHE 74 H PHE 74 -6.945 -4.140 -10.089 540 HA PHE 74 HA PHE 74 -5.444 -1.923 -10.960 541 1HB PHE 74 2HB PHE 74 -7.591 -2.815 -12.009 542 2HB PHE 74 1HB PHE 74 -8.455 -1.902 -10.771 543 HD1 PHE 74 HD1 PHE 74 -5.322 -1.139 -12.667 544 HD2 PHE 74 HD2 PHE 74 -9.380 -0.021 -11.828 545 HE1 PHE 74 HE1 PHE 74 -5.028 0.927 -13.998 546 HE2 PHE 74 HE2 PHE 74 -9.085 2.047 -13.160 547 HZ PHE 74 HZ PHE 74 -6.911 2.521 -14.246 548 H ASP 75 H ASP 75 -7.498 -2.381 -8.137 549 HA ASP 75 HA ASP 75 -7.637 0.359 -7.349 550 1HB ASP 75 2HB ASP 75 -9.045 -1.653 -6.496 551 2HB ASP 75 1HB ASP 75 -7.691 -1.940 -5.402 552 H GLU 76 H GLU 76 -5.462 -2.335 -6.558 553 HA GLU 76 HA GLU 76 -3.820 -0.833 -4.739 554 1HB GLU 76 2HB GLU 76 -3.156 -3.388 -6.232 555 2HB GLU 76 1HB GLU 76 -2.319 -2.758 -4.814 556 1HG GLU 76 2HG GLU 76 -4.302 -3.044 -3.440 557 2HG GLU 76 1HG GLU 76 -5.264 -3.495 -4.846 558 H PHE 77 H PHE 77 -3.882 -1.392 -8.184 559 HA PHE 77 HA PHE 77 -1.232 -0.627 -8.835 560 1HB PHE 77 2HB PHE 77 -3.226 -1.724 -10.254 561 2HB PHE 77 1HB PHE 77 -3.468 -0.050 -10.726 562 HD1 PHE 77 HD1 PHE 77 -2.957 -0.846 -13.036 563 HD2 PHE 77 HD2 PHE 77 -0.023 -0.960 -9.889 564 HE1 PHE 77 HE1 PHE 77 -1.151 -1.074 -14.712 565 HE2 PHE 77 HE2 PHE 77 1.770 -1.175 -11.575 566 HZ PHE 77 HZ PHE 77 1.210 -1.238 -13.987 567 H LEU 78 H LEU 78 -4.306 1.182 -8.965 568 HA LEU 78 HA LEU 78 -3.104 3.685 -9.624 569 1HB LEU 78 2HB LEU 78 -5.804 2.780 -8.753 570 2HB LEU 78 1HB LEU 78 -5.420 4.484 -8.601 571 HG LEU 78 HG LEU 78 -5.284 4.784 -10.920 572 1HD1 LEU 78 1HD1 LEU 78 -3.736 2.866 -11.318 573 2HD1 LEU 78 2HD1 LEU 78 -5.001 2.984 -12.539 574 3HD1 LEU 78 3HD1 LEU 78 -5.121 1.775 -11.260 575 1HD2 LEU 78 1HD2 LEU 78 -7.332 2.590 -10.478 576 2HD2 LEU 78 2HD2 LEU 78 -7.313 3.705 -11.845 577 3HD2 LEU 78 3HD2 LEU 78 -7.590 4.315 -10.214 578 H VAL 79 H VAL 79 -3.966 2.101 -6.585 579 HA VAL 79 HA VAL 79 -3.669 4.326 -4.860 580 HB VAL 79 HB VAL 79 -3.635 1.355 -4.531 581 1HG1 VAL 79 1HG1 VAL 79 -3.073 1.608 -2.123 582 2HG1 VAL 79 2HG1 VAL 79 -2.668 3.302 -2.416 583 3HG1 VAL 79 3HG1 VAL 79 -1.719 2.021 -3.177 584 1HG2 VAL 79 1HG2 VAL 79 -5.673 2.917 -4.454 585 2HG2 VAL 79 2HG2 VAL 79 -5.039 3.485 -2.909 586 3HG2 VAL 79 3HG2 VAL 79 -5.490 1.792 -3.107 587 H MET 80 H MET 80 -1.379 1.812 -5.892 588 HA MET 80 HA MET 80 0.895 2.451 -4.507 589 1HB MET 80 2HB MET 80 0.308 0.843 -6.689 590 2HB MET 80 1HB MET 80 1.503 1.973 -7.321 591 1HG MET 80 2HG MET 80 2.620 1.381 -4.913 592 2HG MET 80 1HG MET 80 1.800 -0.139 -5.267 593 1HE MET 80 1HE MET 80 2.122 -1.560 -7.345 594 2HE MET 80 2HE MET 80 3.155 -1.160 -8.714 595 3HE MET 80 3HE MET 80 1.728 -0.183 -8.381 596 H MET 81 H MET 81 -0.571 4.319 -7.099 597 HA MET 81 HA MET 81 1.662 5.887 -7.849 598 1HB MET 81 2HB MET 81 -0.828 5.711 -8.811 599 2HB MET 81 1HB MET 81 -1.044 7.139 -7.799 600 1HG MET 81 2HG MET 81 1.182 7.945 -8.933 601 2HG MET 81 1HG MET 81 0.767 6.756 -10.168 602 1HE MET 81 1HE MET 81 -2.359 7.575 -11.662 603 2HE MET 81 2HE MET 81 -2.896 7.365 -9.997 604 3HE MET 81 3HE MET 81 -1.605 6.351 -10.630 605 H VAL 82 H VAL 82 -0.997 6.586 -5.568 606 HA VAL 82 HA VAL 82 0.232 8.972 -4.548 607 HB VAL 82 HB VAL 82 -1.511 8.851 -2.783 608 1HG1 VAL 82 1HG1 VAL 82 -2.467 8.354 -5.617 609 2HG1 VAL 82 2HG1 VAL 82 -2.018 9.915 -4.930 610 3HG1 VAL 82 3HG1 VAL 82 -3.443 9.064 -4.331 611 1HG2 VAL 82 1HG2 VAL 82 -3.088 7.057 -2.703 612 2HG2 VAL 82 2HG2 VAL 82 -1.498 6.295 -2.760 613 3HG2 VAL 82 3HG2 VAL 82 -2.490 6.373 -4.217 614 H ARG 83 H ARG 83 0.349 5.574 -3.716 615 HA ARG 83 HA ARG 83 1.393 5.823 -1.081 616 1HB ARG 83 2HB ARG 83 1.728 3.589 -3.104 617 2HB ARG 83 1HB ARG 83 2.170 3.483 -1.400 618 1HG ARG 83 2HG ARG 83 -0.624 4.223 -2.285 619 2HG ARG 83 1HG ARG 83 -0.131 2.548 -2.042 620 1HD ARG 83 2HD ARG 83 0.586 4.392 0.152 621 2HD ARG 83 1HD ARG 83 -1.142 4.147 -0.074 622 HE ARG 83 HE ARG 83 -0.146 1.608 -0.097 623 1HH1 ARG 83 2HH1 ARG 83 0.198 4.326 2.068 624 2HH1 ARG 83 1HH1 ARG 83 0.390 3.342 3.476 625 1HH2 ARG 83 1HH2 ARG 83 0.109 0.337 1.768 626 2HH2 ARG 83 2HH2 ARG 83 0.342 1.092 3.309 627 H CYS 84 H CYS 84 2.878 5.578 -4.287 628 HA CYS 84 HA CYS 84 5.588 5.518 -3.366 629 1HB CYS 84 2HB CYS 84 4.673 4.814 -5.680 630 2HB CYS 84 1HB CYS 84 4.737 6.531 -6.075 631 HG CYS 84 HG CYS 84 7.133 4.688 -5.913 632 H MET 85 H MET 85 3.399 8.077 -4.496 633 HA MET 85 HA MET 85 5.343 10.184 -4.328 634 1HB MET 85 2HB MET 85 2.336 10.135 -4.554 635 2HB MET 85 1HB MET 85 3.228 11.646 -4.365 636 1HG MET 85 2HG MET 85 4.645 10.911 -6.352 637 2HG MET 85 1HG MET 85 3.459 9.630 -6.609 638 1HE MET 85 1HE MET 85 3.869 12.935 -8.701 639 2HE MET 85 2HE MET 85 2.882 11.675 -9.439 640 3HE MET 85 3HE MET 85 4.338 11.236 -8.550 641 H LYS 86 H LYS 86 2.979 8.769 -2.146 642 HA LYS 86 HA LYS 86 2.783 8.865 0.136 643 1HB LYS 86 2HB LYS 86 5.422 9.811 -0.245 644 2HB LYS 86 1HB LYS 86 4.641 10.935 0.868 645 1HG LYS 86 2HG LYS 86 4.545 7.923 1.188 646 2HG LYS 86 1HG LYS 86 5.734 8.951 1.989 647 1HD LYS 86 2HD LYS 86 3.696 10.291 2.858 648 2HD LYS 86 1HD LYS 86 2.742 8.885 2.382 649 1HE LYS 86 2HE LYS 86 3.936 7.451 3.873 650 2HE LYS 86 1HE LYS 86 5.183 8.664 4.155 651 1HZ LYS 86 1HZ LYS 86 3.660 10.017 5.331 652 2HZ LYS 86 2HZ LYS 86 3.492 8.447 5.956 653 3HZ LYS 86 3HZ LYS 86 2.334 9.063 4.876 654 H ASP 87 H ASP 87 1.310 9.908 1.298 655 HA ASP 87 HA ASP 87 -0.066 12.138 0.278 656 1HB ASP 87 2HB ASP 87 -1.233 12.191 2.467 657 2HB ASP 87 1HB ASP 87 -1.161 10.570 1.782 658 H ASP 88 H ASP 88 2.494 11.913 2.715 659 HA ASP 88 HA ASP 88 3.083 14.736 2.384 660 1HB ASP 88 2HB ASP 88 1.267 14.471 4.228 661 2HB ASP 88 1HB ASP 88 2.579 13.815 5.205 662 H SER 89 HN SER 89 3.696 12.102 4.731 663 HA SER 89 HA SER 89 5.626 11.109 5.460 664 1HB SER 89 2HB SER 89 5.871 11.078 2.791 665 2HB SER 89 1HB SER 89 7.241 12.116 3.171 666 HG SER 89 HG SER 89 8.209 10.491 4.156 Start of MODEL 14 1 1H MET 1 1H MET 1 -4.784 2.916 10.395 2 2H MET 1 2H MET 1 -5.574 3.459 11.797 3 3H MET 1 3H MET 1 -4.141 4.212 11.281 4 HA MET 1 HA MET 1 -6.734 4.226 9.829 5 1HB MET 1 2HB MET 1 -6.290 5.650 12.020 6 2HB MET 1 1HB MET 1 -5.360 6.662 10.917 7 1HG MET 1 2HG MET 1 -7.479 6.531 9.395 8 2HG MET 1 1HG MET 1 -8.305 6.036 10.873 9 1HE MET 1 1HE MET 1 -7.586 7.248 13.160 10 2HE MET 1 2HE MET 1 -9.206 7.663 12.608 11 3HE MET 1 3HE MET 1 -8.151 8.922 13.242 12 H ASN 2 H ASN 2 -5.974 3.760 7.799 13 HA ASN 2 HA ASN 2 -4.146 5.746 6.614 14 1HB ASN 2 2HB ASN 2 -3.803 2.768 6.641 15 2HB ASN 2 1HB ASN 2 -3.285 3.676 5.220 16 1HD2 ASN 2 1HD2 ASN 2 -2.001 5.841 5.973 17 2HD2 ASN 2 2HD2 ASN 2 -0.809 5.557 7.148 18 H ASP 3 H ASP 3 -6.599 6.273 6.214 19 HA ASP 3 HA ASP 3 -7.494 4.930 3.735 20 1HB ASP 3 2HB ASP 3 -9.018 6.530 5.799 21 2HB ASP 3 1HB ASP 3 -9.707 6.030 4.256 22 H ILE 4 H ILE 4 -5.499 7.286 4.225 23 HA ILE 4 HA ILE 4 -6.768 9.535 2.943 24 HB ILE 4 HB ILE 4 -4.528 10.544 2.915 25 1HG1 ILE 4 2HG1 ILE 4 -2.844 8.945 4.324 26 2HG1 ILE 4 1HG1 ILE 4 -3.729 7.722 3.414 27 1HG2 ILE 4 1HG2 ILE 4 -4.112 10.450 5.389 28 2HG2 ILE 4 2HG2 ILE 4 -5.292 9.143 5.491 29 3HG2 ILE 4 3HG2 ILE 4 -5.798 10.749 4.966 30 1HD1 ILE 4 1HD1 ILE 4 -1.937 8.292 1.989 31 2HD1 ILE 4 2HD1 ILE 4 -2.069 10.009 2.360 32 3HD1 ILE 4 3HD1 ILE 4 -3.287 9.228 1.352 33 H TYR 5 H TYR 5 -4.825 6.801 1.925 34 HA TYR 5 HA TYR 5 -4.201 7.752 -0.696 35 1HB TYR 5 2HB TYR 5 -4.374 4.912 0.352 36 2HB TYR 5 1HB TYR 5 -3.663 5.388 -1.190 37 HD1 TYR 5 HD1 TYR 5 -1.719 7.065 -1.161 38 HD2 TYR 5 HD2 TYR 5 -3.100 5.002 2.345 39 HE1 TYR 5 HE1 TYR 5 0.425 7.564 -0.022 40 HE2 TYR 5 HE2 TYR 5 -0.954 5.499 3.484 41 HH TYR 5 HH TYR 5 0.893 7.447 3.158 42 H LYS 6 H LYS 6 -6.919 6.042 0.727 43 HA LYS 6 HA LYS 6 -8.155 5.227 -1.711 44 1HB LYS 6 2HB LYS 6 -8.653 4.871 1.034 45 2HB LYS 6 1HB LYS 6 -10.075 5.696 0.397 46 1HG LYS 6 2HG LYS 6 -10.445 3.327 0.134 47 2HG LYS 6 1HG LYS 6 -10.120 3.988 -1.468 48 1HD LYS 6 2HD LYS 6 -8.731 2.106 -1.438 49 2HD LYS 6 1HD LYS 6 -7.626 3.379 -0.922 50 1HE LYS 6 2HE LYS 6 -7.203 1.980 0.825 51 2HE LYS 6 1HE LYS 6 -8.706 2.633 1.475 52 1HZ LYS 6 1HZ LYS 6 -8.465 0.186 -0.194 53 2HZ LYS 6 2HZ LYS 6 -9.909 0.814 0.445 54 3HZ LYS 6 3HZ LYS 6 -8.706 0.215 1.484 55 H ALA 7 H ALA 7 -8.022 8.254 -0.004 56 HA ALA 7 HA ALA 7 -10.412 9.410 -1.052 57 1HB ALA 7 1HB ALA 7 -9.650 11.455 -0.149 58 2HB ALA 7 2HB ALA 7 -7.957 10.972 -0.260 59 3HB ALA 7 3HB ALA 7 -9.009 10.227 0.943 60 H ALA 8 H ALA 8 -7.073 9.193 -2.199 61 HA ALA 8 HA ALA 8 -7.394 11.069 -4.352 62 1HB ALA 8 1HB ALA 8 -5.226 10.309 -5.107 63 2HB ALA 8 2HB ALA 8 -5.333 8.867 -4.094 64 3HB ALA 8 3HB ALA 8 -5.177 10.459 -3.350 65 H VAL 9 H VAL 9 -7.485 7.525 -4.087 66 HA VAL 9 HA VAL 9 -7.887 7.059 -6.873 67 HB VAL 9 HB VAL 9 -7.052 5.358 -5.201 68 1HG1 VAL 9 1HG1 VAL 9 -10.001 5.227 -4.502 69 2HG1 VAL 9 2HG1 VAL 9 -8.699 5.747 -3.434 70 3HG1 VAL 9 3HG1 VAL 9 -8.778 4.072 -3.974 71 1HG2 VAL 9 1HG2 VAL 9 -8.078 4.917 -7.551 72 2HG2 VAL 9 2HG2 VAL 9 -9.479 4.321 -6.662 73 3HG2 VAL 9 3HG2 VAL 9 -7.907 3.550 -6.451 74 H GLU 10 H GLU 10 -9.979 8.096 -4.326 75 HA GLU 10 HA GLU 10 -12.433 7.234 -5.602 76 1HB GLU 10 2HB GLU 10 -11.741 8.783 -3.137 77 2HB GLU 10 1HB GLU 10 -13.365 8.938 -3.810 78 1HG GLU 10 2HG GLU 10 -12.167 6.206 -3.429 79 2HG GLU 10 1HG GLU 10 -12.874 7.049 -2.052 80 H GLN 11 H GLN 11 -10.323 9.999 -5.759 81 HA GLN 11 HA GLN 11 -12.293 11.343 -7.513 82 1HB GLN 11 2HB GLN 11 -11.618 13.516 -6.657 83 2HB GLN 11 1HB GLN 11 -12.172 12.510 -5.320 84 1HG GLN 11 2HG GLN 11 -9.702 11.871 -4.994 85 2HG GLN 11 1HG GLN 11 -9.330 13.219 -6.066 86 1HE2 GLN 11 1HE2 GLN 11 -10.734 12.392 -2.899 87 2HE2 GLN 11 2HE2 GLN 11 -10.666 13.969 -2.276 88 H LEU 12 H LEU 12 -10.017 9.567 -8.121 89 HA LEU 12 HA LEU 12 -7.791 11.077 -9.046 90 1HB LEU 12 2HB LEU 12 -7.576 8.995 -10.636 91 2HB LEU 12 1HB LEU 12 -7.205 8.885 -8.933 92 HG LEU 12 HG LEU 12 -9.265 7.750 -8.483 93 1HD1 LEU 12 1HD1 LEU 12 -10.873 8.857 -9.826 94 2HD1 LEU 12 2HD1 LEU 12 -10.796 7.226 -10.492 95 3HD1 LEU 12 3HD1 LEU 12 -9.968 8.551 -11.309 96 1HD2 LEU 12 1HD2 LEU 12 -8.877 5.730 -9.658 97 2HD2 LEU 12 2HD2 LEU 12 -7.310 6.541 -9.650 98 3HD2 LEU 12 3HD2 LEU 12 -8.316 6.580 -11.098 99 H THR 13 H THR 13 -7.200 10.763 -11.527 100 HA THR 13 HA THR 13 -9.323 12.158 -13.025 101 HB THR 13 HB THR 13 -7.087 12.312 -14.602 102 HG1 THR 13 HG1 THR 13 -5.770 11.383 -13.042 103 1HG2 THR 13 1HG2 THR 13 -8.419 14.051 -12.603 104 2HG2 THR 13 2HG2 THR 13 -8.119 14.323 -14.320 105 3HG2 THR 13 3HG2 THR 13 -6.822 14.563 -13.150 106 H ASP 14 H ASP 14 -9.109 11.764 -15.486 107 HA ASP 14 HA ASP 14 -9.722 9.003 -15.984 108 1HB ASP 14 2HB ASP 14 -9.357 11.368 -17.839 109 2HB ASP 14 1HB ASP 14 -9.837 9.762 -18.387 110 H GLU 15 H GLU 15 -6.935 11.090 -16.369 111 HA GLU 15 HA GLU 15 -5.385 9.533 -18.130 112 1HB GLU 15 2HB GLU 15 -3.496 10.801 -17.363 113 2HB GLU 15 1HB GLU 15 -4.882 11.889 -17.388 114 1HG GLU 15 2HG GLU 15 -5.193 11.244 -14.905 115 2HG GLU 15 1HG GLU 15 -3.552 10.607 -15.000 116 H GLN 16 H GLN 16 -5.925 9.305 -14.651 117 HA GLN 16 HA GLN 16 -3.857 7.404 -14.105 118 1HB GLN 16 2HB GLN 16 -6.218 8.491 -12.652 119 2HB GLN 16 1HB GLN 16 -5.608 6.923 -12.121 120 1HG GLN 16 2HG GLN 16 -3.296 7.971 -12.048 121 2HG GLN 16 1HG GLN 16 -4.082 9.532 -12.290 122 1HE2 GLN 16 1HE2 GLN 16 -5.158 10.486 -10.485 123 2HE2 GLN 16 2HE2 GLN 16 -5.210 9.764 -8.950 124 H LYS 17 H LYS 17 -7.248 7.187 -15.041 125 HA LYS 17 HA LYS 17 -7.471 4.346 -14.697 126 1HB LYS 17 2HB LYS 17 -9.204 6.208 -16.341 127 2HB LYS 17 1HB LYS 17 -9.618 4.569 -15.841 128 1HG LYS 17 2HG LYS 17 -9.039 6.859 -13.937 129 2HG LYS 17 1HG LYS 17 -10.652 6.292 -14.372 130 1HD LYS 17 2HD LYS 17 -9.629 3.944 -13.635 131 2HD LYS 17 1HD LYS 17 -8.573 4.981 -12.679 132 1HE LYS 17 2HE LYS 17 -10.295 4.802 -11.169 133 2HE LYS 17 1HE LYS 17 -10.929 6.151 -12.111 134 1HZ LYS 17 1HZ LYS 17 -11.563 3.280 -12.548 135 2HZ LYS 17 2HZ LYS 17 -12.166 4.577 -13.467 136 3HZ LYS 17 3HZ LYS 17 -12.588 4.423 -11.828 137 H ASN 18 H ASN 18 -5.849 6.175 -17.017 138 HA ASN 18 HA ASN 18 -6.088 3.996 -19.003 139 1HB ASN 18 2HB ASN 18 -5.927 6.969 -19.332 140 2HB ASN 18 1HB ASN 18 -5.247 5.927 -20.584 141 1HD2 ASN 18 1HD2 ASN 18 -8.246 7.001 -19.080 142 2HD2 ASN 18 2HD2 ASN 18 -9.286 6.208 -20.162 143 H GLU 19 H GLU 19 -3.925 6.127 -17.239 144 HA GLU 19 HA GLU 19 -1.530 5.556 -18.644 145 1HB GLU 19 2HB GLU 19 -1.846 7.421 -16.976 146 2HB GLU 19 1HB GLU 19 -1.770 6.209 -15.697 147 1HG GLU 19 2HG GLU 19 0.465 5.486 -16.706 148 2HG GLU 19 1HG GLU 19 0.394 6.961 -17.673 149 H PHE 20 H PHE 20 -2.842 4.190 -15.620 150 HA PHE 20 HA PHE 20 -0.844 2.088 -15.582 151 1HB PHE 20 2HB PHE 20 -3.150 2.846 -13.818 152 2HB PHE 20 1HB PHE 20 -2.386 1.267 -13.655 153 HD1 PHE 20 HD1 PHE 20 -1.931 4.901 -13.306 154 HD2 PHE 20 HD2 PHE 20 -0.063 1.053 -12.886 155 HE1 PHE 20 HE1 PHE 20 -0.112 5.925 -11.970 156 HE2 PHE 20 HE2 PHE 20 1.743 2.074 -11.539 157 HZ PHE 20 HZ PHE 20 1.726 4.513 -11.087 158 H LYS 21 H LYS 21 -4.273 2.425 -16.447 159 HA LYS 21 HA LYS 21 -4.944 -0.304 -16.563 160 1HB LYS 21 2HB LYS 21 -6.584 1.558 -16.710 161 2HB LYS 21 1HB LYS 21 -6.016 1.891 -18.342 162 1HG LYS 21 2HG LYS 21 -6.736 -0.933 -17.808 163 2HG LYS 21 1HG LYS 21 -8.082 0.206 -17.774 164 1HD LYS 21 2HD LYS 21 -6.146 0.471 -20.026 165 2HD LYS 21 1HD LYS 21 -7.226 -0.924 -20.057 166 1HE LYS 21 2HE LYS 21 -9.005 0.355 -20.600 167 2HE LYS 21 1HE LYS 21 -8.643 1.518 -19.326 168 1HZ LYS 21 1HZ LYS 21 -8.508 2.496 -21.549 169 2HZ LYS 21 2HZ LYS 21 -7.280 1.398 -21.962 170 3HZ LYS 21 3HZ LYS 21 -7.016 2.555 -20.745 171 H ALA 22 H ALA 22 -3.237 1.751 -18.863 172 HA ALA 22 HA ALA 22 -3.391 0.104 -21.142 173 1HB ALA 22 1HB ALA 22 -1.028 1.810 -20.318 174 2HB ALA 22 2HB ALA 22 -2.477 2.446 -21.098 175 3HB ALA 22 3HB ALA 22 -1.446 1.298 -21.954 176 H ALA 23 H ALA 23 -0.836 0.309 -18.662 177 HA ALA 23 HA ALA 23 0.615 -1.964 -19.595 178 1HB ALA 23 1HB ALA 23 0.942 -1.437 -16.749 179 2HB ALA 23 2HB ALA 23 1.044 0.046 -17.698 180 3HB ALA 23 3HB ALA 23 2.122 -1.304 -18.054 181 H PHE 24 H PHE 24 -1.905 -1.429 -17.197 182 HA PHE 24 HA PHE 24 -1.881 -3.929 -15.912 183 1HB PHE 24 2HB PHE 24 -3.193 -1.794 -15.304 184 2HB PHE 24 1HB PHE 24 -4.400 -2.360 -16.454 185 HD1 PHE 24 HD1 PHE 24 -5.353 -4.731 -16.134 186 HD2 PHE 24 HD2 PHE 24 -3.115 -2.662 -13.112 187 HE1 PHE 24 HE1 PHE 24 -6.281 -6.245 -14.405 188 HE2 PHE 24 HE2 PHE 24 -4.042 -4.171 -11.387 189 HZ PHE 24 HZ PHE 24 -5.629 -5.957 -12.032 190 H ASP 25 H ASP 25 -3.684 -2.828 -18.794 191 HA ASP 25 HA ASP 25 -5.143 -5.234 -19.170 192 1HB ASP 25 2HB ASP 25 -5.256 -2.765 -20.296 193 2HB ASP 25 1HB ASP 25 -4.496 -3.681 -21.596 194 H ILE 26 H ILE 26 -2.003 -4.167 -20.441 195 HA ILE 26 HA ILE 26 -1.730 -6.414 -22.220 196 HB ILE 26 HB ILE 26 0.615 -5.643 -22.494 197 1HG1 ILE 26 2HG1 ILE 26 -0.161 -3.478 -20.513 198 2HG1 ILE 26 1HG1 ILE 26 0.878 -4.844 -20.119 199 1HG2 ILE 26 1HG2 ILE 26 0.027 -3.427 -23.452 200 2HG2 ILE 26 2HG2 ILE 26 -1.509 -3.477 -22.586 201 3HG2 ILE 26 3HG2 ILE 26 -1.172 -4.656 -23.853 202 1HD1 ILE 26 1HD1 ILE 26 2.119 -2.737 -20.731 203 2HD1 ILE 26 2HD1 ILE 26 1.461 -2.894 -22.360 204 3HD1 ILE 26 3HD1 ILE 26 2.535 -4.138 -21.719 205 H PHE 27 H PHE 27 -0.659 -5.702 -18.922 206 HA PHE 27 HA PHE 27 1.034 -8.028 -18.752 207 1HB PHE 27 2HB PHE 27 -0.025 -6.184 -16.597 208 2HB PHE 27 1HB PHE 27 1.135 -7.484 -16.317 209 HD1 PHE 27 HD1 PHE 27 2.723 -7.283 -18.877 210 HD2 PHE 27 HD2 PHE 27 1.312 -4.244 -16.184 211 HE1 PHE 27 HE1 PHE 27 4.552 -5.783 -19.612 212 HE2 PHE 27 HE2 PHE 27 3.144 -2.745 -16.927 213 HZ PHE 27 HZ PHE 27 4.760 -3.515 -18.639 214 H ILE 28 H ILE 28 -2.334 -7.310 -17.917 215 HA ILE 28 HA ILE 28 -2.615 -9.998 -16.742 216 HB ILE 28 HB ILE 28 -4.771 -9.333 -15.943 217 1HG1 ILE 28 2HG1 ILE 28 -5.249 -6.714 -16.579 218 2HG1 ILE 28 1HG1 ILE 28 -4.527 -7.297 -18.079 219 1HG2 ILE 28 1HG2 ILE 28 -4.208 -7.397 -14.565 220 2HG2 ILE 28 2HG2 ILE 28 -2.885 -6.979 -15.652 221 3HG2 ILE 28 3HG2 ILE 28 -2.809 -8.461 -14.700 222 1HD1 ILE 28 1HD1 ILE 28 -6.228 -8.821 -18.470 223 2HD1 ILE 28 2HD1 ILE 28 -7.131 -7.544 -17.652 224 3HD1 ILE 28 3HD1 ILE 28 -6.624 -8.978 -16.757 225 H GLN 29 H GLN 29 -2.505 -8.932 -19.772 226 HA GLN 29 HA GLN 29 -4.815 -9.548 -21.139 227 1HB GLN 29 2HB GLN 29 -2.843 -8.670 -22.263 228 2HB GLN 29 1HB GLN 29 -1.957 -10.158 -21.934 229 1HG GLN 29 2HG GLN 29 -3.471 -11.435 -23.336 230 2HG GLN 29 1HG GLN 29 -4.505 -10.025 -23.569 231 1HE2 GLN 29 1HE2 GLN 29 -3.179 -8.019 -24.493 232 2HE2 GLN 29 2HE2 GLN 29 -2.088 -8.388 -25.739 233 H ASP 30 H ASP 30 -2.365 -11.792 -19.903 234 HA ASP 30 HA ASP 30 -4.049 -14.071 -20.749 235 1HB ASP 30 2HB ASP 30 -1.108 -13.893 -20.070 236 2HB ASP 30 1HB ASP 30 -1.958 -15.423 -20.292 237 H ALA 31 H ALA 31 -4.444 -12.338 -18.323 238 HA ALA 31 HA ALA 31 -3.929 -14.259 -16.154 239 1HB ALA 31 1HB ALA 31 -4.378 -12.477 -14.625 240 2HB ALA 31 2HB ALA 31 -5.063 -11.470 -15.901 241 3HB ALA 31 3HB ALA 31 -3.333 -11.810 -15.879 242 H GLU 32 H GLU 32 -5.637 -14.752 -14.659 243 HA GLU 32 HA GLU 32 -8.361 -14.532 -15.788 244 1HB GLU 32 2HB GLU 32 -8.787 -16.865 -14.951 245 2HB GLU 32 1HB GLU 32 -7.654 -16.780 -16.298 246 1HG GLU 32 2HG GLU 32 -6.473 -16.615 -13.568 247 2HG GLU 32 1HG GLU 32 -7.138 -18.177 -14.042 248 H ASP 33 H ASP 33 -7.202 -12.861 -13.826 249 HA ASP 33 HA ASP 33 -8.949 -13.482 -11.539 250 1HB ASP 33 2HB ASP 33 -6.417 -14.072 -11.191 251 2HB ASP 33 1HB ASP 33 -6.238 -12.328 -11.006 252 H GLY 34 H GLY 34 -6.834 -11.046 -13.059 253 1HA GLY 34 2HA GLY 34 -7.765 -8.904 -13.744 254 2HA GLY 34 1HA GLY 34 -8.815 -8.970 -12.331 255 H CYS 35 H CYS 35 -5.347 -9.660 -12.599 256 HA CYS 35 HA CYS 35 -4.550 -7.209 -11.286 257 1HB CYS 35 2HB CYS 35 -3.470 -8.476 -9.365 258 2HB CYS 35 1HB CYS 35 -5.224 -8.328 -9.291 259 HG CYS 35 HG CYS 35 -4.280 -10.917 -10.645 260 H ILE 36 H ILE 36 -2.284 -6.896 -11.313 261 HA ILE 36 HA ILE 36 -0.914 -8.560 -13.292 262 HB ILE 36 HB ILE 36 0.730 -6.842 -13.444 263 1HG1 ILE 36 2HG1 ILE 36 0.074 -4.831 -11.634 264 2HG1 ILE 36 1HG1 ILE 36 -0.086 -6.306 -10.679 265 1HG2 ILE 36 1HG2 ILE 36 -2.001 -5.605 -12.992 266 2HG2 ILE 36 2HG2 ILE 36 -1.368 -6.235 -14.512 267 3HG2 ILE 36 3HG2 ILE 36 -0.656 -4.792 -13.791 268 1HD1 ILE 36 1HD1 ILE 36 2.335 -5.635 -12.380 269 2HD1 ILE 36 2HD1 ILE 36 2.170 -6.997 -11.270 270 3HD1 ILE 36 3HD1 ILE 36 2.235 -5.351 -10.642 271 H SER 37 H SER 37 1.500 -8.968 -12.832 272 HA SER 37 HA SER 37 1.645 -10.399 -10.283 273 1HB SER 37 2HB SER 37 2.419 -11.194 -12.731 274 2HB SER 37 1HB SER 37 3.923 -10.454 -12.196 275 HG SER 37 HG SER 37 2.707 -12.763 -11.388 276 H THR 38 H THR 38 2.291 -9.223 -8.602 277 HA THR 38 HA THR 38 3.674 -6.816 -8.591 278 HB THR 38 HB THR 38 4.244 -7.286 -6.240 279 HG1 THR 38 HG1 THR 38 3.227 -9.875 -6.807 280 1HG2 THR 38 1HG2 THR 38 1.514 -7.886 -7.311 281 2HG2 THR 38 2HG2 THR 38 2.065 -6.506 -6.364 282 3HG2 THR 38 3HG2 THR 38 1.812 -8.066 -5.583 283 H LYS 39 H LYS 39 4.972 -10.118 -8.459 284 HA LYS 39 HA LYS 39 7.687 -9.446 -8.075 285 1HB LYS 39 2HB LYS 39 8.106 -11.732 -9.133 286 2HB LYS 39 1HB LYS 39 7.079 -11.708 -7.703 287 1HG LYS 39 2HG LYS 39 5.445 -12.710 -8.878 288 2HG LYS 39 1HG LYS 39 5.373 -11.309 -9.943 289 1HD LYS 39 2HD LYS 39 5.935 -12.856 -11.524 290 2HD LYS 39 1HD LYS 39 7.565 -12.507 -10.951 291 1HE LYS 39 2HE LYS 39 7.515 -14.841 -10.825 292 2HE LYS 39 1HE LYS 39 7.052 -14.386 -9.186 293 1HZ LYS 39 1HZ LYS 39 4.711 -14.573 -9.878 294 2HZ LYS 39 2HZ LYS 39 5.551 -16.045 -10.010 295 3HZ LYS 39 3HZ LYS 39 5.216 -15.127 -11.401 296 H GLU 40 H GLU 40 5.666 -9.459 -10.940 297 HA GLU 40 HA GLU 40 8.020 -8.863 -12.627 298 1HB GLU 40 2HB GLU 40 5.229 -9.791 -13.345 299 2HB GLU 40 1HB GLU 40 6.425 -9.279 -14.535 300 1HG GLU 40 2HG GLU 40 7.319 -11.294 -12.536 301 2HG GLU 40 1HG GLU 40 6.170 -11.846 -13.755 302 H LEU 41 H LEU 41 6.665 -6.981 -10.743 303 HA LEU 41 HA LEU 41 5.078 -5.158 -12.258 304 1HB LEU 41 2HB LEU 41 5.146 -5.369 -9.738 305 2HB LEU 41 1HB LEU 41 6.670 -4.509 -9.788 306 HG LEU 41 HG LEU 41 4.443 -3.179 -11.204 307 1HD1 LEU 41 1HD1 LEU 41 3.133 -2.648 -9.362 308 2HD1 LEU 41 2HD1 LEU 41 4.427 -2.991 -8.213 309 3HD1 LEU 41 3HD1 LEU 41 3.560 -4.317 -8.988 310 1HD2 LEU 41 1HD2 LEU 41 6.538 -2.345 -9.174 311 2HD2 LEU 41 2HD2 LEU 41 5.411 -1.236 -9.954 312 3HD2 LEU 41 3HD2 LEU 41 6.607 -2.099 -10.919 313 H GLY 42 H GLY 42 8.495 -5.691 -12.066 314 1HA GLY 42 2HA GLY 42 9.561 -3.157 -12.541 315 2HA GLY 42 1HA GLY 42 10.262 -4.660 -13.131 316 H LYS 43 H LYS 43 7.914 -5.372 -14.732 317 HA LYS 43 HA LYS 43 8.594 -4.039 -17.168 318 1HB LYS 43 2HB LYS 43 6.295 -5.898 -16.510 319 2HB LYS 43 1HB LYS 43 6.717 -5.356 -18.135 320 1HG LYS 43 2HG LYS 43 8.804 -6.647 -16.391 321 2HG LYS 43 1HG LYS 43 7.655 -7.645 -17.283 322 1HD LYS 43 2HD LYS 43 8.385 -5.988 -19.270 323 2HD LYS 43 1HD LYS 43 9.859 -5.921 -18.304 324 1HE LYS 43 2HE LYS 43 10.333 -8.167 -18.615 325 2HE LYS 43 1HE LYS 43 8.638 -8.601 -18.832 326 1HZ LYS 43 1HZ LYS 43 8.679 -7.478 -20.985 327 2HZ LYS 43 2HZ LYS 43 9.820 -8.735 -20.917 328 3HZ LYS 43 3HZ LYS 43 10.325 -7.119 -20.778 329 H VAL 44 H VAL 44 6.258 -3.405 -14.674 330 HA VAL 44 HA VAL 44 4.693 -1.647 -16.420 331 HB VAL 44 HB VAL 44 2.955 -1.887 -14.997 332 1HG1 VAL 44 1HG1 VAL 44 2.820 -3.989 -13.983 333 2HG1 VAL 44 2HG1 VAL 44 4.509 -3.961 -13.474 334 3HG1 VAL 44 3HG1 VAL 44 4.105 -4.219 -15.169 335 1HG2 VAL 44 1HG2 VAL 44 4.994 -1.411 -12.838 336 2HG2 VAL 44 2HG2 VAL 44 3.403 -2.034 -12.411 337 3HG2 VAL 44 3HG2 VAL 44 3.547 -0.480 -13.232 338 H MET 45 H MET 45 7.000 -1.563 -13.775 339 HA MET 45 HA MET 45 6.764 1.132 -13.017 340 1HB MET 45 2HB MET 45 8.882 -0.947 -12.814 341 2HB MET 45 1HB MET 45 9.388 0.729 -12.617 342 1HG MET 45 2HG MET 45 6.921 0.122 -11.160 343 2HG MET 45 1HG MET 45 8.285 -0.864 -10.632 344 1HE MET 45 1HE MET 45 7.151 2.940 -9.097 345 2HE MET 45 2HE MET 45 6.295 1.686 -9.991 346 3HE MET 45 3HE MET 45 6.992 3.053 -10.855 347 H ARG 46 H ARG 46 8.566 -0.414 -15.661 348 HA ARG 46 HA ARG 46 10.097 1.818 -16.458 349 1HB ARG 46 2HB ARG 46 10.225 0.741 -18.686 350 2HB ARG 46 1HB ARG 46 10.565 -0.385 -17.376 351 1HG ARG 46 2HG ARG 46 8.363 -1.348 -17.528 352 2HG ARG 46 1HG ARG 46 7.835 -0.099 -18.656 353 1HD ARG 46 2HD ARG 46 9.435 -0.893 -20.329 354 2HD ARG 46 1HD ARG 46 10.050 -2.095 -19.200 355 HE ARG 46 HE ARG 46 8.187 -3.415 -19.649 356 1HH1 ARG 46 2HH1 ARG 46 7.718 -0.186 -20.904 357 2HH1 ARG 46 1HH1 ARG 46 6.272 -0.596 -21.759 358 1HH2 ARG 46 1HH2 ARG 46 6.282 -3.922 -20.773 359 2HH2 ARG 46 2HH2 ARG 46 5.460 -2.701 -21.687 360 H MET 47 H MET 47 6.753 0.941 -17.111 361 HA MET 47 HA MET 47 6.290 2.953 -19.105 362 1HB MET 47 2HB MET 47 4.600 1.079 -17.511 363 2HB MET 47 1HB MET 47 3.816 2.482 -18.236 364 1HG MET 47 2HG MET 47 5.630 0.670 -19.831 365 2HG MET 47 1HG MET 47 3.906 0.346 -19.665 366 1HE MET 47 1HE MET 47 6.697 2.102 -20.921 367 2HE MET 47 2HE MET 47 6.186 3.397 -21.999 368 3HE MET 47 3HE MET 47 6.033 1.719 -22.515 369 H LEU 48 H LEU 48 6.162 2.815 -15.599 370 HA LEU 48 HA LEU 48 4.695 5.254 -15.221 371 1HB LEU 48 2HB LEU 48 6.247 3.395 -13.489 372 2HB LEU 48 1HB LEU 48 5.978 5.020 -12.901 373 HG LEU 48 HG LEU 48 3.554 4.687 -13.032 374 1HD1 LEU 48 1HD1 LEU 48 3.234 1.938 -13.366 375 2HD1 LEU 48 2HD1 LEU 48 4.388 2.382 -14.623 376 3HD1 LEU 48 3HD1 LEU 48 2.818 3.178 -14.549 377 1HD2 LEU 48 1HD2 LEU 48 4.828 2.301 -11.666 378 2HD2 LEU 48 2HD2 LEU 48 3.365 3.160 -11.185 379 3HD2 LEU 48 3HD2 LEU 48 4.938 3.942 -11.028 380 H GLY 49 H GLY 49 8.084 4.394 -15.623 381 1HA GLY 49 2HA GLY 49 9.347 6.333 -16.674 382 2HA GLY 49 1HA GLY 49 8.829 7.242 -15.265 383 H GLN 50 H GLN 50 9.652 3.940 -14.589 384 HA GLN 50 HA GLN 50 12.476 4.435 -14.161 385 1HB GLN 50 2HB GLN 50 12.377 4.021 -11.696 386 2HB GLN 50 1HB GLN 50 11.668 5.558 -12.181 387 1HG GLN 50 2HG GLN 50 9.878 3.162 -12.014 388 2HG GLN 50 1HG GLN 50 10.388 3.929 -10.512 389 1HE2 GLN 50 1HE2 GLN 50 10.291 6.594 -10.908 390 2HE2 GLN 50 2HE2 GLN 50 8.778 7.100 -11.485 391 H ASN 51 H ASN 51 13.445 2.507 -12.833 392 HA ASN 51 HA ASN 51 11.939 0.028 -13.155 393 1HB ASN 51 2HB ASN 51 13.486 0.805 -15.280 394 2HB ASN 51 1HB ASN 51 14.612 -0.195 -14.365 395 1HD2 ASN 51 1HD2 ASN 51 13.423 -2.354 -13.500 396 2HD2 ASN 51 2HD2 ASN 51 12.481 -3.147 -14.668 397 HA PRO 52 HA PRO 52 14.717 -0.241 -9.548 398 1HB PRO 52 2HB PRO 52 12.815 -1.267 -7.871 399 2HB PRO 52 1HB PRO 52 13.012 0.463 -8.180 400 1HG PRO 52 2HG PRO 52 10.904 -1.380 -9.106 401 2HG PRO 52 1HG PRO 52 10.854 0.377 -8.904 402 1HD PRO 52 2HD PRO 52 11.177 -1.067 -11.353 403 2HD PRO 52 1HD PRO 52 11.282 0.695 -11.123 404 H THR 53 H THR 53 14.312 -2.404 -7.791 405 HA THR 53 HA THR 53 14.822 -4.718 -9.563 406 HB THR 53 HB THR 53 16.290 -5.575 -7.950 407 HG1 THR 53 HG1 THR 53 15.950 -5.378 -5.880 408 1HG2 THR 53 1HG2 THR 53 17.754 -3.739 -7.243 409 2HG2 THR 53 2HG2 THR 53 16.467 -2.577 -7.566 410 3HG2 THR 53 3HG2 THR 53 17.191 -3.483 -8.896 411 HA PRO 54 HA PRO 54 11.320 -6.816 -7.894 412 1HB PRO 54 2HB PRO 54 12.232 -9.340 -7.330 413 2HB PRO 54 1HB PRO 54 11.933 -8.736 -8.967 414 1HG PRO 54 2HG PRO 54 14.511 -9.147 -7.551 415 2HG PRO 54 1HG PRO 54 14.144 -9.246 -9.279 416 1HD PRO 54 2HD PRO 54 15.400 -7.087 -8.010 417 2HD PRO 54 1HD PRO 54 14.644 -7.032 -9.618 418 H GLU 55 H GLU 55 14.211 -6.898 -5.918 419 HA GLU 55 HA GLU 55 12.847 -7.669 -3.477 420 1HB GLU 55 2HB GLU 55 15.653 -6.816 -4.158 421 2HB GLU 55 1HB GLU 55 15.121 -6.906 -2.479 422 1HG GLU 55 2HG GLU 55 14.534 -9.240 -4.255 423 2HG GLU 55 1HG GLU 55 16.196 -9.019 -3.708 424 H GLU 56 H GLU 56 13.958 -4.707 -5.062 425 HA GLU 56 HA GLU 56 13.449 -2.992 -2.808 426 1HB GLU 56 2HB GLU 56 15.046 -2.552 -4.783 427 2HB GLU 56 1HB GLU 56 13.601 -2.088 -5.680 428 1HG GLU 56 2HG GLU 56 13.152 -0.640 -3.477 429 2HG GLU 56 1HG GLU 56 14.909 -0.735 -3.358 430 H LEU 57 H LEU 57 11.767 -3.641 -5.896 431 HA LEU 57 HA LEU 57 9.582 -1.908 -5.405 432 1HB LEU 57 2HB LEU 57 8.533 -2.900 -7.269 433 2HB LEU 57 1HB LEU 57 10.239 -2.840 -7.630 434 HG LEU 57 HG LEU 57 10.227 -5.326 -6.783 435 1HD1 LEU 57 1HD1 LEU 57 7.342 -4.624 -7.047 436 2HD1 LEU 57 2HD1 LEU 57 8.119 -5.809 -5.996 437 3HD1 LEU 57 3HD1 LEU 57 7.844 -6.184 -7.695 438 1HD2 LEU 57 1HD2 LEU 57 10.782 -5.018 -9.032 439 2HD2 LEU 57 2HD2 LEU 57 9.269 -4.190 -9.397 440 3HD2 LEU 57 3HD2 LEU 57 9.286 -5.938 -9.173 441 H GLN 58 H GLN 58 10.256 -5.203 -4.389 442 HA GLN 58 HA GLN 58 7.676 -6.101 -3.790 443 1HB GLN 58 2HB GLN 58 10.389 -6.860 -3.046 444 2HB GLN 58 1HB GLN 58 9.247 -7.115 -1.728 445 1HG GLN 58 2HG GLN 58 8.785 -8.073 -4.567 446 2HG GLN 58 1HG GLN 58 9.456 -9.083 -3.287 447 1HE2 GLN 58 1HE2 GLN 58 6.504 -7.824 -4.621 448 2HE2 GLN 58 2HE2 GLN 58 5.459 -8.442 -3.435 449 H GLU 59 H GLU 59 9.856 -4.017 -1.925 450 HA GLU 59 HA GLU 59 8.359 -3.933 0.477 451 1HB GLU 59 2HB GLU 59 10.435 -2.197 -0.789 452 2HB GLU 59 1HB GLU 59 9.484 -1.514 0.530 453 1HG GLU 59 2HG GLU 59 10.634 -4.258 0.879 454 2HG GLU 59 1HG GLU 59 11.712 -2.869 1.027 455 H MET 60 H MET 60 8.217 -2.028 -2.502 456 HA MET 60 HA MET 60 6.256 -0.152 -1.636 457 1HB MET 60 2HB MET 60 6.742 -1.094 -4.473 458 2HB MET 60 1HB MET 60 6.001 0.424 -3.969 459 1HG MET 60 2HG MET 60 8.166 1.006 -2.815 460 2HG MET 60 1HG MET 60 8.878 -0.429 -3.551 461 1HE MET 60 1HE MET 60 8.568 3.477 -4.279 462 2HE MET 60 2HE MET 60 10.058 3.005 -5.093 463 3HE MET 60 3HE MET 60 9.699 2.369 -3.490 464 H ILE 61 H ILE 61 6.119 -3.303 -3.195 465 HA ILE 61 HA ILE 61 3.355 -3.369 -3.792 466 HB ILE 61 HB ILE 61 5.281 -5.630 -3.185 467 1HG1 ILE 61 2HG1 ILE 61 5.861 -4.272 -5.166 468 2HG1 ILE 61 1HG1 ILE 61 5.325 -5.881 -5.642 469 1HG2 ILE 61 1HG2 ILE 61 3.603 -7.071 -4.312 470 2HG2 ILE 61 2HG2 ILE 61 2.495 -5.701 -4.389 471 3HG2 ILE 61 3HG2 ILE 61 2.968 -6.366 -2.826 472 1HD1 ILE 61 1HD1 ILE 61 2.971 -4.371 -5.551 473 2HD1 ILE 61 2HD1 ILE 61 3.842 -4.862 -7.003 474 3HD1 ILE 61 3HD1 ILE 61 4.159 -3.287 -6.275 475 H ASP 62 H ASP 62 5.159 -4.700 -1.003 476 HA ASP 62 HA ASP 62 2.959 -5.674 0.434 477 1HB ASP 62 2HB ASP 62 5.543 -5.887 0.872 478 2HB ASP 62 1HB ASP 62 5.288 -4.463 1.882 479 H GLU 63 H GLU 63 4.292 -2.414 0.220 480 HA GLU 63 HA GLU 63 2.781 -1.339 2.406 481 1HB GLU 63 2HB GLU 63 4.335 -0.099 0.141 482 2HB GLU 63 1HB GLU 63 3.402 0.885 1.268 483 1HG GLU 63 2HG GLU 63 5.398 -1.166 2.238 484 2HG GLU 63 1HG GLU 63 5.883 0.483 1.844 485 H VAL 64 H VAL 64 2.411 -1.081 -1.156 486 HA VAL 64 HA VAL 64 -0.056 0.363 -0.972 487 HB VAL 64 HB VAL 64 1.437 0.537 -2.937 488 1HG1 VAL 64 1HG1 VAL 64 0.414 -2.178 -3.778 489 2HG1 VAL 64 2HG1 VAL 64 1.939 -1.991 -2.913 490 3HG1 VAL 64 3HG1 VAL 64 1.721 -1.231 -4.489 491 1HG2 VAL 64 1HG2 VAL 64 -1.091 -0.634 -4.020 492 2HG2 VAL 64 2HG2 VAL 64 -0.311 0.900 -4.401 493 3HG2 VAL 64 3HG2 VAL 64 -1.228 0.725 -2.905 494 H ASP 65 H ASP 65 0.747 -3.063 -1.443 495 HA ASP 65 HA ASP 65 -1.962 -3.878 -1.936 496 1HB ASP 65 2HB ASP 65 0.470 -5.090 -2.282 497 2HB ASP 65 1HB ASP 65 -0.120 -5.905 -0.836 498 H GLU 66 H GLU 66 -3.444 -3.525 -0.411 499 HA GLU 66 HA GLU 66 -2.903 -3.493 2.391 500 1HB GLU 66 2HB GLU 66 -5.362 -3.377 2.655 501 2HB GLU 66 1HB GLU 66 -4.760 -2.202 1.491 502 1HG GLU 66 2HG GLU 66 -5.261 -4.418 -0.092 503 2HG GLU 66 1HG GLU 66 -6.575 -4.475 1.083 504 H ASP 67 H ASP 67 -4.153 -5.951 0.177 505 HA ASP 67 HA ASP 67 -4.662 -7.812 2.362 506 1HB ASP 67 2HB ASP 67 -5.241 -9.407 0.471 507 2HB ASP 67 1HB ASP 67 -6.260 -7.978 0.609 508 H GLY 68 H GLY 68 -2.283 -7.316 -0.203 509 1HA GLY 68 2HA GLY 68 -0.108 -8.095 -0.364 510 2HA GLY 68 1HA GLY 68 -0.311 -8.861 1.207 511 H SER 69 H SER 69 -2.101 -9.280 -1.840 512 HA SER 69 HA SER 69 -1.952 -12.167 -1.578 513 1HB SER 69 2HB SER 69 -3.348 -12.171 -3.641 514 2HB SER 69 1HB SER 69 -4.045 -11.212 -2.340 515 HG SER 69 HG SER 69 -2.983 -10.434 -4.784 516 H GLY 70 H GLY 70 0.055 -9.823 -2.958 517 1HA GLY 70 2HA GLY 70 2.055 -10.177 -4.108 518 2HA GLY 70 1HA GLY 70 1.563 -11.843 -4.408 519 H THR 71 H THR 71 -0.755 -9.370 -5.078 520 HA THR 71 HA THR 71 -0.052 -9.213 -7.919 521 HB THR 71 HB THR 71 -2.264 -9.882 -8.657 522 HG1 THR 71 HG1 THR 71 -3.840 -10.435 -7.220 523 1HG2 THR 71 1HG2 THR 71 -0.595 -11.677 -8.315 524 2HG2 THR 71 2HG2 THR 71 -2.236 -12.255 -8.023 525 3HG2 THR 71 3HG2 THR 71 -1.174 -11.886 -6.662 526 H VAL 72 H VAL 72 -0.385 -7.208 -8.678 527 HA VAL 72 HA VAL 72 -1.676 -5.263 -6.915 528 HB VAL 72 HB VAL 72 -0.447 -4.634 -9.592 529 1HG1 VAL 72 1HG1 VAL 72 -0.511 -3.000 -7.051 530 2HG1 VAL 72 2HG1 VAL 72 -1.841 -2.974 -8.211 531 3HG1 VAL 72 3HG1 VAL 72 -0.232 -2.440 -8.701 532 1HG2 VAL 72 1HG2 VAL 72 1.657 -4.155 -8.281 533 2HG2 VAL 72 2HG2 VAL 72 1.273 -5.872 -8.420 534 3HG2 VAL 72 3HG2 VAL 72 0.932 -5.009 -6.918 535 H ASP 73 H ASP 73 -3.745 -4.825 -7.100 536 HA ASP 73 HA ASP 73 -5.228 -5.497 -9.521 537 1HB ASP 73 2HB ASP 73 -6.123 -4.266 -6.893 538 2HB ASP 73 1HB ASP 73 -7.201 -4.707 -8.218 539 H PHE 74 H PHE 74 -6.814 -3.724 -10.336 540 HA PHE 74 HA PHE 74 -5.278 -1.570 -11.290 541 1HB PHE 74 2HB PHE 74 -7.440 -2.501 -12.293 542 2HB PHE 74 1HB PHE 74 -8.285 -1.468 -11.138 543 HD1 PHE 74 HD1 PHE 74 -5.119 -0.971 -13.068 544 HD2 PHE 74 HD2 PHE 74 -9.131 0.370 -12.329 545 HE1 PHE 74 HE1 PHE 74 -4.750 0.971 -14.561 546 HE2 PHE 74 HE2 PHE 74 -8.756 2.314 -13.821 547 HZ PHE 74 HZ PHE 74 -6.565 2.615 -14.938 548 H ASP 75 H ASP 75 -7.360 -1.837 -8.454 549 HA ASP 75 HA ASP 75 -7.422 0.959 -7.849 550 1HB ASP 75 2HB ASP 75 -8.922 -0.939 -6.890 551 2HB ASP 75 1HB ASP 75 -7.604 -1.191 -5.747 552 H GLU 76 H GLU 76 -5.360 -1.755 -6.850 553 HA GLU 76 HA GLU 76 -3.694 -0.197 -5.102 554 1HB GLU 76 2HB GLU 76 -3.086 -2.857 -6.421 555 2HB GLU 76 1HB GLU 76 -2.268 -2.169 -5.020 556 1HG GLU 76 2HG GLU 76 -4.252 -2.344 -3.671 557 2HG GLU 76 1HG GLU 76 -5.239 -2.753 -5.069 558 H PHE 77 H PHE 77 -3.765 -0.897 -8.510 559 HA PHE 77 HA PHE 77 -1.065 -0.309 -9.163 560 1HB PHE 77 2HB PHE 77 -3.119 -1.374 -10.540 561 2HB PHE 77 1HB PHE 77 -3.232 0.280 -11.120 562 HD1 PHE 77 HD1 PHE 77 -2.743 -0.706 -13.359 563 HD2 PHE 77 HD2 PHE 77 0.124 -0.807 -10.156 564 HE1 PHE 77 HE1 PHE 77 -0.936 -1.153 -14.982 565 HE2 PHE 77 HE2 PHE 77 1.926 -1.248 -11.786 566 HZ PHE 77 HZ PHE 77 1.400 -1.427 -14.204 567 H LEU 78 H LEU 78 -4.051 1.626 -9.385 568 HA LEU 78 HA LEU 78 -2.727 4.036 -10.170 569 1HB LEU 78 2HB LEU 78 -5.481 3.330 -9.245 570 2HB LEU 78 1HB LEU 78 -5.002 5.018 -9.295 571 HG LEU 78 HG LEU 78 -4.670 4.919 -11.679 572 1HD1 LEU 78 1HD1 LEU 78 -3.690 2.601 -11.679 573 2HD1 LEU 78 2HD1 LEU 78 -4.859 2.887 -12.966 574 3HD1 LEU 78 3HD1 LEU 78 -5.331 1.969 -11.538 575 1HD2 LEU 78 1HD2 LEU 78 -6.898 5.215 -11.806 576 2HD2 LEU 78 2HD2 LEU 78 -7.162 4.172 -10.410 577 3HD2 LEU 78 3HD2 LEU 78 -7.065 3.474 -12.026 578 H VAL 79 H VAL 79 -3.641 2.610 -7.086 579 HA VAL 79 HA VAL 79 -3.351 4.891 -5.443 580 HB VAL 79 HB VAL 79 -3.323 1.933 -5.010 581 1HG1 VAL 79 1HG1 VAL 79 -2.403 3.962 -2.951 582 2HG1 VAL 79 2HG1 VAL 79 -1.439 2.651 -3.637 583 3HG1 VAL 79 3HG1 VAL 79 -2.818 2.282 -2.598 584 1HG2 VAL 79 1HG2 VAL 79 -5.348 3.555 -5.031 585 2HG2 VAL 79 2HG2 VAL 79 -4.763 4.079 -3.451 586 3HG2 VAL 79 3HG2 VAL 79 -5.236 2.399 -3.705 587 H MET 80 H MET 80 -1.058 2.325 -6.336 588 HA MET 80 HA MET 80 1.200 3.022 -4.953 589 1HB MET 80 2HB MET 80 0.623 1.316 -7.065 590 2HB MET 80 1HB MET 80 1.842 2.401 -7.733 591 1HG MET 80 2HG MET 80 3.348 1.924 -5.879 592 2HG MET 80 1HG MET 80 2.112 0.948 -5.086 593 1HE MET 80 1HE MET 80 4.662 1.390 -7.793 594 2HE MET 80 2HE MET 80 3.288 1.245 -8.887 595 3HE MET 80 3HE MET 80 4.522 -0.012 -8.861 596 H MET 81 H MET 81 -0.156 4.700 -7.746 597 HA MET 81 HA MET 81 2.193 6.320 -8.205 598 1HB MET 81 2HB MET 81 0.408 5.681 -9.927 599 2HB MET 81 1HB MET 81 -0.595 6.920 -9.179 600 1HG MET 81 2HG MET 81 2.194 7.701 -9.876 601 2HG MET 81 1HG MET 81 1.081 7.457 -11.221 602 1HE MET 81 1HE MET 81 -1.719 9.633 -10.900 603 2HE MET 81 2HE MET 81 -1.884 8.776 -9.369 604 3HE MET 81 3HE MET 81 -1.305 7.916 -10.791 605 H VAL 82 H VAL 82 -1.075 6.935 -6.884 606 HA VAL 82 HA VAL 82 -0.556 9.642 -6.190 607 HB VAL 82 HB VAL 82 -2.609 9.488 -4.810 608 1HG1 VAL 82 1HG1 VAL 82 -3.121 8.062 -7.410 609 2HG1 VAL 82 2HG1 VAL 82 -2.486 9.707 -7.406 610 3HG1 VAL 82 3HG1 VAL 82 -4.045 9.362 -6.658 611 1HG2 VAL 82 1HG2 VAL 82 -2.178 7.073 -4.129 612 2HG2 VAL 82 2HG2 VAL 82 -2.738 6.607 -5.734 613 3HG2 VAL 82 3HG2 VAL 82 -3.832 7.429 -4.623 614 H ARG 83 H ARG 83 -0.093 6.611 -4.430 615 HA ARG 83 HA ARG 83 0.331 7.858 -1.887 616 1HB ARG 83 2HB ARG 83 1.313 5.696 -1.198 617 2HB ARG 83 1HB ARG 83 -0.253 5.494 -1.977 618 1HG ARG 83 2HG ARG 83 0.628 4.334 -3.705 619 2HG ARG 83 1HG ARG 83 2.016 5.409 -3.847 620 1HD ARG 83 2HD ARG 83 2.489 4.146 -1.445 621 2HD ARG 83 1HD ARG 83 1.751 2.865 -2.402 622 HE ARG 83 HE ARG 83 3.649 4.000 -4.059 623 1HH1 ARG 83 2HH1 ARG 83 3.603 2.486 -0.912 624 2HH1 ARG 83 1HH1 ARG 83 5.223 1.892 -1.036 625 1HH2 ARG 83 1HH2 ARG 83 5.770 3.211 -4.199 626 2HH2 ARG 83 2HH2 ARG 83 6.448 2.308 -2.888 627 H CYS 84 H CYS 84 2.366 7.118 -4.641 628 HA CYS 84 HA CYS 84 4.881 7.511 -3.352 629 1HB CYS 84 2HB CYS 84 3.916 7.219 -6.137 630 2HB CYS 84 1HB CYS 84 5.420 8.119 -5.937 631 HG CYS 84 HG CYS 84 5.066 5.118 -5.460 632 H MET 85 H MET 85 2.603 9.651 -5.029 633 HA MET 85 HA MET 85 4.414 11.936 -4.781 634 1HB MET 85 2HB MET 85 2.668 11.376 -6.715 635 2HB MET 85 1HB MET 85 1.575 12.259 -5.649 636 1HG MET 85 2HG MET 85 4.243 13.489 -6.105 637 2HG MET 85 1HG MET 85 3.137 13.485 -7.479 638 1HE MET 85 1HE MET 85 3.756 16.359 -6.768 639 2HE MET 85 2HE MET 85 2.083 16.910 -6.810 640 3HE MET 85 3HE MET 85 2.609 15.630 -7.900 641 H LYS 86 H LYS 86 1.049 11.232 -3.796 642 HA LYS 86 HA LYS 86 0.988 13.362 -1.870 643 1HB LYS 86 2HB LYS 86 -1.002 12.312 -3.156 644 2HB LYS 86 1HB LYS 86 -0.938 11.044 -1.934 645 1HG LYS 86 2HG LYS 86 -0.817 13.757 -0.809 646 2HG LYS 86 1HG LYS 86 -2.314 13.423 -1.679 647 1HD LYS 86 2HD LYS 86 -2.922 11.690 -0.246 648 2HD LYS 86 1HD LYS 86 -1.257 11.373 0.246 649 1HE LYS 86 2HE LYS 86 -1.233 13.110 1.781 650 2HE LYS 86 1HE LYS 86 -2.447 14.041 0.905 651 1HZ LYS 86 1HZ LYS 86 -3.675 13.273 2.647 652 2HZ LYS 86 2HZ LYS 86 -2.803 11.823 2.788 653 3HZ LYS 86 3HZ LYS 86 -3.944 12.013 1.544 654 H ASP 87 H ASP 87 0.862 13.162 0.381 655 HA ASP 87 HA ASP 87 1.382 12.348 2.467 656 1HB ASP 87 2HB ASP 87 0.030 10.292 1.369 657 2HB ASP 87 1HB ASP 87 1.601 9.521 1.580 658 H ASP 88 H ASP 88 3.430 13.025 0.444 659 HA ASP 88 HA ASP 88 5.710 13.153 0.350 660 1HB ASP 88 2HB ASP 88 5.719 11.381 2.807 661 2HB ASP 88 1HB ASP 88 7.069 12.333 2.193 662 H SER 89 HN SER 89 5.213 9.836 1.597 663 HA SER 89 HA SER 89 6.276 8.789 -0.952 664 1HB SER 89 2HB SER 89 7.932 8.874 1.092 665 2HB SER 89 1HB SER 89 7.027 7.461 1.626 666 HG SER 89 HG SER 89 8.905 7.650 -0.273 Start of MODEL 15 1 1H MET 1 1H MET 1 -7.522 5.624 9.503 2 2H MET 1 2H MET 1 -6.286 6.559 8.807 3 3H MET 1 3H MET 1 -6.952 5.252 7.949 4 HA MET 1 HA MET 1 -9.156 6.466 8.090 5 1HB MET 1 2HB MET 1 -7.885 8.089 9.810 6 2HB MET 1 1HB MET 1 -7.542 8.964 8.319 7 1HG MET 1 2HG MET 1 -10.129 8.555 7.879 8 2HG MET 1 1HG MET 1 -10.176 8.425 9.638 9 1HE MET 1 1HE MET 1 -11.886 10.682 9.496 10 2HE MET 1 2HE MET 1 -11.641 10.369 7.779 11 3HE MET 1 3HE MET 1 -11.449 12.004 8.406 12 H ASN 2 H ASN 2 -6.007 7.822 7.045 13 HA ASN 2 HA ASN 2 -5.140 8.296 4.978 14 1HB ASN 2 2HB ASN 2 -7.274 6.386 3.983 15 2HB ASN 2 1HB ASN 2 -5.901 6.972 3.047 16 1HD2 ASN 2 1HD2 ASN 2 -3.720 6.712 4.635 17 2HD2 ASN 2 2HD2 ASN 2 -3.544 5.127 5.214 18 H ASP 3 H ASP 3 -5.629 10.448 4.874 19 HA ASP 3 HA ASP 3 -8.246 11.278 3.858 20 1HB ASP 3 2HB ASP 3 -6.684 12.393 5.767 21 2HB ASP 3 1HB ASP 3 -6.174 13.323 4.359 22 H ILE 4 H ILE 4 -4.815 11.562 3.000 23 HA ILE 4 HA ILE 4 -5.237 13.025 0.597 24 HB ILE 4 HB ILE 4 -2.925 12.429 0.016 25 1HG1 ILE 4 2HG1 ILE 4 -1.848 11.079 2.121 26 2HG1 ILE 4 1HG1 ILE 4 -3.433 10.314 2.040 27 1HG2 ILE 4 1HG2 ILE 4 -1.863 13.532 1.863 28 2HG2 ILE 4 2HG2 ILE 4 -3.121 13.004 2.981 29 3HG2 ILE 4 3HG2 ILE 4 -3.490 14.203 1.741 30 1HD1 ILE 4 1HD1 ILE 4 -1.465 9.356 0.588 31 2HD1 ILE 4 2HD1 ILE 4 -1.846 10.704 -0.483 32 3HD1 ILE 4 3HD1 ILE 4 -3.075 9.493 -0.117 33 H TYR 5 H TYR 5 -5.222 9.598 1.340 34 HA TYR 5 HA TYR 5 -5.057 8.633 -1.338 35 1HB TYR 5 2HB TYR 5 -6.198 7.354 1.161 36 2HB TYR 5 1HB TYR 5 -5.976 6.515 -0.373 37 HD1 TYR 5 HD1 TYR 5 -4.302 7.962 2.555 38 HD2 TYR 5 HD2 TYR 5 -3.715 6.080 -1.262 39 HE1 TYR 5 HE1 TYR 5 -1.931 7.532 3.132 40 HE2 TYR 5 HE2 TYR 5 -1.342 5.653 -0.685 41 HH TYR 5 HH TYR 5 0.241 7.162 1.821 42 H LYS 6 H LYS 6 -7.727 9.530 0.794 43 HA LYS 6 HA LYS 6 -9.767 8.705 -1.098 44 1HB LYS 6 2HB LYS 6 -9.830 8.970 1.579 45 2HB LYS 6 1HB LYS 6 -10.447 10.558 1.125 46 1HG LYS 6 2HG LYS 6 -12.409 9.289 1.196 47 2HG LYS 6 1HG LYS 6 -11.983 9.195 -0.513 48 1HD LYS 6 2HD LYS 6 -12.418 6.951 0.051 49 2HD LYS 6 1HD LYS 6 -10.660 7.058 0.163 50 1HE LYS 6 2HE LYS 6 -10.657 6.838 2.441 51 2HE LYS 6 1HE LYS 6 -12.159 7.741 2.635 52 1HZ LYS 6 1HZ LYS 6 -12.402 5.376 3.173 53 2HZ LYS 6 2HZ LYS 6 -11.966 4.969 1.582 54 3HZ LYS 6 3HZ LYS 6 -13.397 5.838 1.879 55 H ALA 7 H ALA 7 -8.151 11.692 -0.143 56 HA ALA 7 HA ALA 7 -9.909 13.495 -1.464 57 1HB ALA 7 1HB ALA 7 -7.995 15.096 -1.289 58 2HB ALA 7 2HB ALA 7 -7.003 13.774 -0.673 59 3HB ALA 7 3HB ALA 7 -8.409 14.321 0.240 60 H ALA 8 H ALA 8 -7.076 11.667 -2.535 61 HA ALA 8 HA ALA 8 -6.853 13.076 -5.048 62 1HB ALA 8 1HB ALA 8 -5.150 11.439 -5.602 63 2HB ALA 8 2HB ALA 8 -5.647 10.418 -4.251 64 3HB ALA 8 3HB ALA 8 -4.904 11.989 -3.944 65 H VAL 9 H VAL 9 -8.109 9.902 -4.020 66 HA VAL 9 HA VAL 9 -8.795 9.009 -6.626 67 HB VAL 9 HB VAL 9 -8.568 7.545 -4.588 68 1HG1 VAL 9 1HG1 VAL 9 -10.504 7.311 -3.115 69 2HG1 VAL 9 2HG1 VAL 9 -11.361 8.570 -4.002 70 3HG1 VAL 9 3HG1 VAL 9 -9.922 8.974 -3.069 71 1HG2 VAL 9 1HG2 VAL 9 -11.248 7.231 -5.961 72 2HG2 VAL 9 2HG2 VAL 9 -10.175 5.959 -5.375 73 3HG2 VAL 9 3HG2 VAL 9 -9.720 6.916 -6.785 74 H GLU 10 H GLU 10 -10.408 11.142 -4.371 75 HA GLU 10 HA GLU 10 -12.976 10.950 -5.694 76 1HB GLU 10 2HB GLU 10 -13.745 12.574 -4.114 77 2HB GLU 10 1HB GLU 10 -12.715 11.442 -3.244 78 1HG GLU 10 2HG GLU 10 -11.180 13.036 -2.752 79 2HG GLU 10 1HG GLU 10 -11.241 13.722 -4.372 80 H GLN 11 H GLN 11 -10.071 12.774 -6.184 81 HA GLN 11 HA GLN 11 -11.548 14.526 -8.057 82 1HB GLN 11 2HB GLN 11 -10.171 16.389 -7.517 83 2HB GLN 11 1HB GLN 11 -10.709 15.712 -5.981 84 1HG GLN 11 2HG GLN 11 -8.537 14.411 -5.898 85 2HG GLN 11 1HG GLN 11 -8.004 15.336 -7.300 86 1HE2 GLN 11 1HE2 GLN 11 -7.273 15.320 -4.219 87 2HE2 GLN 11 2HE2 GLN 11 -7.248 16.975 -3.846 88 H LEU 12 H LEU 12 -9.958 11.930 -8.388 89 HA LEU 12 HA LEU 12 -7.613 12.693 -9.893 90 1HB LEU 12 2HB LEU 12 -7.789 10.233 -10.675 91 2HB LEU 12 1HB LEU 12 -7.341 10.581 -9.023 92 HG LEU 12 HG LEU 12 -9.534 9.967 -8.235 93 1HD1 LEU 12 1HD1 LEU 12 -11.024 10.781 -9.889 94 2HD1 LEU 12 2HD1 LEU 12 -11.180 9.026 -9.983 95 3HD1 LEU 12 3HD1 LEU 12 -10.211 9.890 -11.177 96 1HD2 LEU 12 1HD2 LEU 12 -9.604 7.600 -8.983 97 2HD2 LEU 12 2HD2 LEU 12 -7.959 8.129 -8.631 98 3HD2 LEU 12 3HD2 LEU 12 -8.507 8.001 -10.304 99 H THR 13 H THR 13 -7.424 11.636 -12.194 100 HA THR 13 HA THR 13 -9.733 12.624 -13.758 101 HB THR 13 HB THR 13 -7.750 12.390 -15.600 102 HG1 THR 13 HG1 THR 13 -6.075 11.940 -14.337 103 1HG2 THR 13 1HG2 THR 13 -8.791 14.423 -15.639 104 2HG2 THR 13 2HG2 THR 13 -7.312 14.919 -14.816 105 3HG2 THR 13 3HG2 THR 13 -8.773 14.589 -13.884 106 H ASP 14 H ASP 14 -10.079 11.534 -15.852 107 HA ASP 14 HA ASP 14 -10.388 8.708 -15.498 108 1HB ASP 14 2HB ASP 14 -10.910 10.632 -17.742 109 2HB ASP 14 1HB ASP 14 -10.949 8.897 -18.053 110 H GLU 15 H GLU 15 -8.080 10.802 -17.106 111 HA GLU 15 HA GLU 15 -6.760 8.823 -18.672 112 1HB GLU 15 2HB GLU 15 -5.895 11.522 -17.626 113 2HB GLU 15 1HB GLU 15 -4.833 10.503 -18.598 114 1HG GLU 15 2HG GLU 15 -5.825 11.708 -20.297 115 2HG GLU 15 1HG GLU 15 -6.996 10.397 -20.168 116 H GLN 16 H GLN 16 -6.475 9.867 -15.323 117 HA GLN 16 HA GLN 16 -3.968 8.658 -14.735 118 1HB GLN 16 2HB GLN 16 -6.037 10.047 -13.289 119 2HB GLN 16 1HB GLN 16 -5.579 8.591 -12.406 120 1HG GLN 16 2HG GLN 16 -3.278 9.239 -12.339 121 2HG GLN 16 1HG GLN 16 -3.539 10.529 -13.514 122 1HE2 GLN 16 1HE2 GLN 16 -5.390 9.655 -10.535 123 2HE2 GLN 16 2HE2 GLN 16 -5.244 11.190 -9.826 124 H LYS 17 H LYS 17 -7.332 7.577 -14.242 125 HA LYS 17 HA LYS 17 -6.690 5.015 -13.202 126 1HB LYS 17 2HB LYS 17 -9.176 6.017 -14.613 127 2HB LYS 17 1HB LYS 17 -9.049 4.437 -13.842 128 1HG LYS 17 2HG LYS 17 -9.133 5.308 -11.730 129 2HG LYS 17 1HG LYS 17 -8.211 6.744 -12.175 130 1HD LYS 17 2HD LYS 17 -10.255 7.754 -11.924 131 2HD LYS 17 1HD LYS 17 -10.455 7.222 -13.593 132 1HE LYS 17 2HE LYS 17 -11.554 5.154 -12.801 133 2HE LYS 17 1HE LYS 17 -11.363 5.694 -11.133 134 1HZ LYS 17 1HZ LYS 17 -12.696 7.656 -11.677 135 2HZ LYS 17 2HZ LYS 17 -13.560 6.217 -11.935 136 3HZ LYS 17 3HZ LYS 17 -12.919 7.073 -13.256 137 H ASN 18 H ASN 18 -7.398 6.178 -16.484 138 HA ASN 18 HA ASN 18 -7.291 3.635 -17.757 139 1HB ASN 18 2HB ASN 18 -7.276 6.471 -18.653 140 2HB ASN 18 1HB ASN 18 -6.643 5.271 -19.780 141 1HD2 ASN 18 1HD2 ASN 18 -9.543 6.035 -17.800 142 2HD2 ASN 18 2HD2 ASN 18 -10.624 5.171 -18.784 143 H GLU 19 H GLU 19 -4.835 5.980 -16.848 144 HA GLU 19 HA GLU 19 -2.700 5.178 -18.467 145 1HB GLU 19 2HB GLU 19 -2.666 7.159 -16.944 146 2HB GLU 19 1HB GLU 19 -2.520 6.061 -15.573 147 1HG GLU 19 2HG GLU 19 -0.412 5.192 -16.438 148 2HG GLU 19 1HG GLU 19 -0.572 6.172 -17.895 149 H PHE 20 H PHE 20 -3.681 3.973 -15.253 150 HA PHE 20 HA PHE 20 -1.673 1.900 -15.229 151 1HB PHE 20 2HB PHE 20 -3.999 2.617 -13.469 152 2HB PHE 20 1HB PHE 20 -3.180 1.069 -13.276 153 HD1 PHE 20 HD1 PHE 20 -2.820 4.733 -13.049 154 HD2 PHE 20 HD2 PHE 20 -0.883 0.947 -12.478 155 HE1 PHE 20 HE1 PHE 20 -1.026 5.848 -11.753 156 HE2 PHE 20 HE2 PHE 20 0.903 2.043 -11.173 157 HZ PHE 20 HZ PHE 20 0.840 4.503 -10.811 158 H LYS 21 H LYS 21 -5.211 2.017 -15.655 159 HA LYS 21 HA LYS 21 -5.785 -0.675 -15.931 160 1HB LYS 21 2HB LYS 21 -7.483 1.127 -15.904 161 2HB LYS 21 1HB LYS 21 -7.013 1.574 -17.541 162 1HG LYS 21 2HG LYS 21 -7.595 -1.293 -17.224 163 2HG LYS 21 1HG LYS 21 -8.981 -0.250 -16.904 164 1HD LYS 21 2HD LYS 21 -8.280 0.958 -19.109 165 2HD LYS 21 1HD LYS 21 -7.370 -0.518 -19.435 166 1HE LYS 21 2HE LYS 21 -9.386 -1.108 -20.392 167 2HE LYS 21 1HE LYS 21 -9.683 -1.659 -18.744 168 1HZ LYS 21 1HZ LYS 21 -10.452 1.001 -19.823 169 2HZ LYS 21 2HZ LYS 21 -10.780 0.421 -18.260 170 3HZ LYS 21 3HZ LYS 21 -11.508 -0.309 -19.611 171 H ALA 22 H ALA 22 -4.396 1.521 -18.341 172 HA ALA 22 HA ALA 22 -4.606 -0.147 -20.610 173 1HB ALA 22 1HB ALA 22 -3.980 2.220 -20.788 174 2HB ALA 22 2HB ALA 22 -2.748 1.200 -21.530 175 3HB ALA 22 3HB ALA 22 -2.471 1.894 -19.933 176 H ALA 23 H ALA 23 -1.855 0.351 -18.395 177 HA ALA 23 HA ALA 23 -0.224 -1.714 -19.463 178 1HB ALA 23 1HB ALA 23 1.144 -1.426 -17.489 179 2HB ALA 23 2HB ALA 23 -0.172 -0.617 -16.639 180 3HB ALA 23 3HB ALA 23 0.604 0.167 -18.016 181 H PHE 24 H PHE 24 -2.633 -1.567 -16.913 182 HA PHE 24 HA PHE 24 -2.229 -4.066 -15.700 183 1HB PHE 24 2HB PHE 24 -3.771 -2.123 -14.983 184 2HB PHE 24 1HB PHE 24 -4.949 -2.818 -16.093 185 HD1 PHE 24 HD1 PHE 24 -5.540 -5.318 -15.796 186 HD2 PHE 24 HD2 PHE 24 -3.522 -2.988 -12.812 187 HE1 PHE 24 HE1 PHE 24 -6.186 -6.968 -14.065 188 HE2 PHE 24 HE2 PHE 24 -4.166 -4.634 -11.085 189 HZ PHE 24 HZ PHE 24 -5.506 -6.615 -11.707 190 H ASP 25 H ASP 25 -4.345 -3.126 -18.411 191 HA ASP 25 HA ASP 25 -5.489 -5.684 -18.827 192 1HB ASP 25 2HB ASP 25 -5.363 -3.139 -20.346 193 2HB ASP 25 1HB ASP 25 -5.744 -4.597 -21.263 194 H ILE 26 H ILE 26 -2.607 -4.162 -20.257 195 HA ILE 26 HA ILE 26 -2.201 -6.246 -22.183 196 HB ILE 26 HB ILE 26 0.045 -5.233 -22.512 197 1HG1 ILE 26 2HG1 ILE 26 -0.833 -3.251 -20.392 198 2HG1 ILE 26 1HG1 ILE 26 0.320 -4.548 -20.090 199 1HG2 ILE 26 1HG2 ILE 26 -0.789 -3.108 -23.386 200 2HG2 ILE 26 2HG2 ILE 26 -2.213 -3.214 -22.350 201 3HG2 ILE 26 3HG2 ILE 26 -1.990 -4.371 -23.663 202 1HD1 ILE 26 1HD1 ILE 26 1.320 -3.386 -22.384 203 2HD1 ILE 26 2HD1 ILE 26 1.894 -3.064 -20.749 204 3HD1 ILE 26 3HD1 ILE 26 0.701 -1.997 -21.488 205 H PHE 27 H PHE 27 -0.978 -5.667 -18.905 206 HA PHE 27 HA PHE 27 0.914 -7.841 -19.022 207 1HB PHE 27 2HB PHE 27 -0.158 -6.276 -16.661 208 2HB PHE 27 1HB PHE 27 1.124 -7.482 -16.561 209 HD1 PHE 27 HD1 PHE 27 2.608 -6.952 -19.104 210 HD2 PHE 27 HD2 PHE 27 0.954 -4.234 -16.214 211 HE1 PHE 27 HE1 PHE 27 4.246 -5.227 -19.790 212 HE2 PHE 27 HE2 PHE 27 2.599 -2.510 -16.906 213 HZ PHE 27 HZ PHE 27 4.242 -3.006 -18.693 214 H ILE 28 H ILE 28 -2.430 -7.462 -17.906 215 HA ILE 28 HA ILE 28 -2.445 -10.240 -16.929 216 HB ILE 28 HB ILE 28 -4.620 -9.797 -16.003 217 1HG1 ILE 28 2HG1 ILE 28 -5.320 -7.198 -16.382 218 2HG1 ILE 28 1HG1 ILE 28 -4.568 -7.543 -17.939 219 1HG2 ILE 28 1HG2 ILE 28 -4.095 -8.037 -14.445 220 2HG2 ILE 28 2HG2 ILE 28 -2.950 -7.308 -15.571 221 3HG2 ILE 28 3HG2 ILE 28 -2.589 -8.868 -14.836 222 1HD1 ILE 28 1HD1 ILE 28 -7.144 -8.060 -17.515 223 2HD1 ILE 28 2HD1 ILE 28 -6.489 -9.551 -16.836 224 3HD1 ILE 28 3HD1 ILE 28 -6.153 -9.122 -18.514 225 H GLN 29 H GLN 29 -2.647 -8.922 -19.882 226 HA GLN 29 HA GLN 29 -4.988 -9.713 -21.116 227 1HB GLN 29 2HB GLN 29 -3.264 -8.465 -22.300 228 2HB GLN 29 1HB GLN 29 -2.160 -9.837 -22.197 229 1HG GLN 29 2HG GLN 29 -3.574 -11.174 -23.621 230 2HG GLN 29 1HG GLN 29 -4.854 -9.959 -23.579 231 1HE2 GLN 29 1HE2 GLN 29 -4.181 -7.726 -24.504 232 2HE2 GLN 29 2HE2 GLN 29 -3.116 -7.728 -25.826 233 H ASP 30 H ASP 30 -2.156 -11.684 -20.318 234 HA ASP 30 HA ASP 30 -3.589 -14.093 -21.255 235 1HB ASP 30 2HB ASP 30 -1.361 -15.201 -21.183 236 2HB ASP 30 1HB ASP 30 -1.405 -13.827 -22.285 237 H ALA 31 H ALA 31 -4.041 -12.674 -18.655 238 HA ALA 31 HA ALA 31 -3.085 -14.676 -16.721 239 1HB ALA 31 1HB ALA 31 -2.792 -12.265 -16.167 240 2HB ALA 31 2HB ALA 31 -3.796 -13.123 -14.999 241 3HB ALA 31 3HB ALA 31 -4.545 -12.076 -16.205 242 H GLU 32 H GLU 32 -4.502 -15.760 -15.342 243 HA GLU 32 HA GLU 32 -7.291 -15.941 -16.329 244 1HB GLU 32 2HB GLU 32 -5.624 -18.057 -14.935 245 2HB GLU 32 1HB GLU 32 -7.301 -18.246 -15.443 246 1HG GLU 32 2HG GLU 32 -5.068 -17.533 -17.361 247 2HG GLU 32 1HG GLU 32 -5.583 -19.190 -17.056 248 H ASP 33 H ASP 33 -6.683 -13.914 -14.577 249 HA ASP 33 HA ASP 33 -8.345 -14.617 -12.292 250 1HB ASP 33 2HB ASP 33 -5.983 -15.138 -11.576 251 2HB ASP 33 1HB ASP 33 -5.604 -13.431 -11.804 252 H GLY 34 H GLY 34 -6.194 -12.096 -13.622 253 1HA GLY 34 2HA GLY 34 -7.170 -10.042 -14.518 254 2HA GLY 34 1HA GLY 34 -8.376 -10.128 -13.239 255 H CYS 35 H CYS 35 -4.879 -10.652 -12.967 256 HA CYS 35 HA CYS 35 -4.481 -8.093 -11.608 257 1HB CYS 35 2HB CYS 35 -3.974 -10.763 -10.268 258 2HB CYS 35 1HB CYS 35 -3.402 -9.211 -9.659 259 HG CYS 35 HG CYS 35 -5.945 -8.487 -9.409 260 H ILE 36 H ILE 36 -2.317 -7.407 -11.655 261 HA ILE 36 HA ILE 36 -0.674 -8.770 -13.623 262 HB ILE 36 HB ILE 36 0.723 -6.889 -13.653 263 1HG1 ILE 36 2HG1 ILE 36 0.096 -5.178 -11.556 264 2HG1 ILE 36 1HG1 ILE 36 0.088 -6.769 -10.792 265 1HG2 ILE 36 1HG2 ILE 36 -1.953 -5.769 -12.778 266 2HG2 ILE 36 2HG2 ILE 36 -1.610 -6.394 -14.391 267 3HG2 ILE 36 3HG2 ILE 36 -0.756 -4.971 -13.797 268 1HD1 ILE 36 1HD1 ILE 36 2.327 -7.185 -11.324 269 2HD1 ILE 36 2HD1 ILE 36 2.353 -5.453 -10.990 270 3HD1 ILE 36 3HD1 ILE 36 2.328 -6.031 -12.657 271 H SER 37 H SER 37 1.719 -9.065 -13.145 272 HA SER 37 HA SER 37 1.935 -10.714 -10.742 273 1HB SER 37 2HB SER 37 2.749 -11.575 -12.925 274 2HB SER 37 1HB SER 37 3.936 -10.277 -12.974 275 HG SER 37 HG SER 37 3.833 -12.574 -11.409 276 H THR 38 H THR 38 2.398 -9.644 -8.929 277 HA THR 38 HA THR 38 3.565 -7.152 -8.619 278 HB THR 38 HB THR 38 4.134 -7.857 -6.298 279 HG1 THR 38 HG1 THR 38 4.095 -9.906 -5.752 280 1HG2 THR 38 1HG2 THR 38 1.439 -8.481 -7.483 281 2HG2 THR 38 2HG2 THR 38 1.925 -7.088 -6.517 282 3HG2 THR 38 3HG2 THR 38 1.730 -8.665 -5.754 283 H LYS 39 H LYS 39 5.211 -10.318 -8.405 284 HA LYS 39 HA LYS 39 7.808 -9.350 -7.971 285 1HB LYS 39 2HB LYS 39 8.597 -11.531 -8.799 286 2HB LYS 39 1HB LYS 39 7.239 -11.719 -7.692 287 1HG LYS 39 2HG LYS 39 5.950 -11.483 -10.105 288 2HG LYS 39 1HG LYS 39 7.418 -12.341 -10.571 289 1HD LYS 39 2HD LYS 39 5.894 -14.058 -9.985 290 2HD LYS 39 1HD LYS 39 6.933 -13.892 -8.569 291 1HE LYS 39 2HE LYS 39 5.273 -12.587 -7.408 292 2HE LYS 39 1HE LYS 39 4.284 -12.449 -8.861 293 1HZ LYS 39 1HZ LYS 39 4.937 -15.020 -7.527 294 2HZ LYS 39 2HZ LYS 39 3.852 -14.782 -8.813 295 3HZ LYS 39 3HZ LYS 39 3.500 -14.156 -7.273 296 H GLU 40 H GLU 40 5.917 -9.511 -10.918 297 HA GLU 40 HA GLU 40 8.285 -8.777 -12.516 298 1HB GLU 40 2HB GLU 40 5.531 -9.684 -13.385 299 2HB GLU 40 1HB GLU 40 6.839 -9.241 -14.481 300 1HG GLU 40 2HG GLU 40 7.245 -11.346 -12.358 301 2HG GLU 40 1HG GLU 40 6.530 -11.756 -13.916 302 H LEU 41 H LEU 41 6.781 -6.942 -10.650 303 HA LEU 41 HA LEU 41 5.198 -5.128 -12.135 304 1HB LEU 41 2HB LEU 41 5.249 -5.179 -9.679 305 2HB LEU 41 1HB LEU 41 6.902 -4.606 -9.698 306 HG LEU 41 HG LEU 41 6.111 -2.482 -10.738 307 1HD1 LEU 41 1HD1 LEU 41 3.735 -4.013 -11.126 308 2HD1 LEU 41 2HD1 LEU 41 4.048 -2.350 -11.618 309 3HD1 LEU 41 3HD1 LEU 41 3.335 -2.680 -10.040 310 1HD2 LEU 41 1HD2 LEU 41 4.779 -3.305 -8.141 311 2HD2 LEU 41 2HD2 LEU 41 4.967 -1.639 -8.686 312 3HD2 LEU 41 3HD2 LEU 41 6.391 -2.611 -8.314 313 H GLY 42 H GLY 42 8.584 -5.724 -12.244 314 1HA GLY 42 2HA GLY 42 9.693 -3.225 -12.788 315 2HA GLY 42 1HA GLY 42 10.279 -4.747 -13.451 316 H LYS 43 H LYS 43 7.891 -5.428 -14.916 317 HA LYS 43 HA LYS 43 8.374 -4.086 -17.366 318 1HB LYS 43 2HB LYS 43 6.450 -5.302 -18.234 319 2HB LYS 43 1HB LYS 43 7.393 -6.377 -17.203 320 1HG LYS 43 2HG LYS 43 5.764 -5.517 -15.316 321 2HG LYS 43 1HG LYS 43 4.722 -5.109 -16.676 322 1HD LYS 43 2HD LYS 43 4.806 -7.420 -17.477 323 2HD LYS 43 1HD LYS 43 5.922 -7.849 -16.180 324 1HE LYS 43 2HE LYS 43 4.251 -7.416 -14.496 325 2HE LYS 43 1HE LYS 43 3.153 -6.721 -15.689 326 1HZ LYS 43 1HZ LYS 43 2.548 -8.994 -15.151 327 2HZ LYS 43 2HZ LYS 43 4.082 -9.543 -15.630 328 3HZ LYS 43 3HZ LYS 43 3.021 -8.873 -16.775 329 H VAL 44 H VAL 44 6.290 -3.384 -14.681 330 HA VAL 44 HA VAL 44 4.704 -1.440 -16.185 331 HB VAL 44 HB VAL 44 4.498 -1.813 -13.218 332 1HG1 VAL 44 1HG1 VAL 44 2.204 -1.566 -15.104 333 2HG1 VAL 44 2HG1 VAL 44 3.239 -0.155 -14.889 334 3HG1 VAL 44 3HG1 VAL 44 2.422 -0.869 -13.499 335 1HG2 VAL 44 1HG2 VAL 44 2.914 -3.556 -15.089 336 2HG2 VAL 44 2HG2 VAL 44 3.236 -3.779 -13.374 337 3HG2 VAL 44 3HG2 VAL 44 4.508 -4.084 -14.555 338 H MET 45 H MET 45 6.633 -1.487 -13.180 339 HA MET 45 HA MET 45 6.747 1.208 -12.640 340 1HB MET 45 2HB MET 45 8.732 -1.001 -12.174 341 2HB MET 45 1HB MET 45 9.113 0.658 -11.712 342 1HG MET 45 2HG MET 45 6.461 -0.463 -10.892 343 2HG MET 45 1HG MET 45 7.897 -0.985 -10.012 344 1HE MET 45 1HE MET 45 5.741 2.297 -11.057 345 2HE MET 45 2HE MET 45 5.437 2.563 -9.342 346 3HE MET 45 3HE MET 45 5.134 0.978 -10.047 347 H ARG 46 H ARG 46 9.011 -0.620 -14.714 348 HA ARG 46 HA ARG 46 10.649 1.579 -15.410 349 1HB ARG 46 2HB ARG 46 10.067 -0.973 -16.926 350 2HB ARG 46 1HB ARG 46 11.313 0.191 -17.382 351 1HG ARG 46 2HG ARG 46 12.169 -0.061 -14.958 352 2HG ARG 46 1HG ARG 46 11.161 -1.505 -14.891 353 1HD ARG 46 2HD ARG 46 12.987 -1.173 -17.232 354 2HD ARG 46 1HD ARG 46 13.698 -1.625 -15.688 355 HE ARG 46 HE ARG 46 11.536 -3.338 -16.085 356 1HH1 ARG 46 2HH1 ARG 46 14.541 -2.543 -17.678 357 2HH1 ARG 46 1HH1 ARG 46 14.746 -4.122 -18.354 358 1HH2 ARG 46 1HH2 ARG 46 11.827 -5.404 -16.981 359 2HH2 ARG 46 2HH2 ARG 46 13.214 -5.739 -17.961 360 H MET 47 H MET 47 7.601 0.415 -16.716 361 HA MET 47 HA MET 47 7.632 2.125 -19.042 362 1HB MET 47 2HB MET 47 5.536 0.418 -17.713 363 2HB MET 47 1HB MET 47 5.103 1.536 -19.006 364 1HG MET 47 2HG MET 47 7.331 -0.490 -19.293 365 2HG MET 47 1HG MET 47 5.662 -0.847 -19.737 366 1HE MET 47 1HE MET 47 8.827 1.404 -21.951 367 2HE MET 47 2HE MET 47 8.748 -0.309 -21.547 368 3HE MET 47 3HE MET 47 8.835 0.889 -20.258 369 H LEU 48 H LEU 48 6.431 2.320 -15.742 370 HA LEU 48 HA LEU 48 4.842 4.685 -16.110 371 1HB LEU 48 2HB LEU 48 5.757 3.028 -13.827 372 2HB LEU 48 1HB LEU 48 5.355 4.693 -13.471 373 HG LEU 48 HG LEU 48 3.085 4.383 -14.060 374 1HD1 LEU 48 1HD1 LEU 48 2.961 3.278 -16.084 375 2HD1 LEU 48 2HD1 LEU 48 2.515 1.950 -15.012 376 3HD1 LEU 48 3HD1 LEU 48 4.167 2.077 -15.622 377 1HD2 LEU 48 1HD2 LEU 48 3.439 1.624 -13.025 378 2HD2 LEU 48 2HD2 LEU 48 2.477 2.954 -12.380 379 3HD2 LEU 48 3HD2 LEU 48 4.213 2.895 -12.076 380 H GLY 49 H GLY 49 8.186 4.010 -15.350 381 1HA GLY 49 2HA GLY 49 9.737 5.853 -16.047 382 2HA GLY 49 1HA GLY 49 8.718 6.917 -15.088 383 H GLN 50 H GLN 50 9.504 3.664 -14.005 384 HA GLN 50 HA GLN 50 11.478 4.738 -12.087 385 1HB GLN 50 2HB GLN 50 9.418 2.689 -11.271 386 2HB GLN 50 1HB GLN 50 10.486 3.636 -10.239 387 1HG GLN 50 2HG GLN 50 8.336 4.881 -11.969 388 2HG GLN 50 1HG GLN 50 8.067 4.409 -10.293 389 1HE2 GLN 50 1HE2 GLN 50 8.322 7.169 -11.749 390 2HE2 GLN 50 2HE2 GLN 50 9.415 8.019 -10.766 391 H ASN 51 H ASN 51 13.234 3.469 -11.809 392 HA ASN 51 HA ASN 51 13.145 0.729 -12.941 393 1HB ASN 51 2HB ASN 51 15.325 2.810 -13.212 394 2HB ASN 51 1HB ASN 51 15.572 1.099 -13.564 395 1HD2 ASN 51 1HD2 ASN 51 13.698 3.974 -14.576 396 2HD2 ASN 51 2HD2 ASN 51 13.306 3.370 -16.113 397 HA PRO 52 HA PRO 52 14.761 0.551 -8.601 398 1HB PRO 52 2HB PRO 52 12.817 -1.086 -7.598 399 2HB PRO 52 1HB PRO 52 12.675 0.676 -7.659 400 1HG PRO 52 2HG PRO 52 11.330 -1.374 -9.299 401 2HG PRO 52 1HG PRO 52 10.816 0.274 -8.916 402 1HD PRO 52 2HD PRO 52 12.011 -0.626 -11.349 403 2HD PRO 52 1HD PRO 52 11.658 1.055 -10.885 404 H THR 53 H THR 53 14.502 -1.849 -7.234 405 HA THR 53 HA THR 53 15.844 -3.793 -9.021 406 HB THR 53 HB THR 53 17.201 -4.453 -7.235 407 HG1 THR 53 HG1 THR 53 16.480 -4.594 -5.258 408 1HG2 THR 53 1HG2 THR 53 16.567 -1.568 -6.577 409 2HG2 THR 53 2HG2 THR 53 17.691 -2.106 -7.826 410 3HG2 THR 53 3HG2 THR 53 18.033 -2.437 -6.127 411 HA PRO 54 HA PRO 54 12.701 -6.765 -8.098 412 1HB PRO 54 2HB PRO 54 14.037 -9.045 -7.374 413 2HB PRO 54 1HB PRO 54 13.941 -8.438 -9.035 414 1HG PRO 54 2HG PRO 54 16.207 -8.329 -7.113 415 2HG PRO 54 1HG PRO 54 16.228 -8.424 -8.882 416 1HD PRO 54 2HD PRO 54 16.676 -6.106 -7.382 417 2HD PRO 54 1HD PRO 54 16.255 -6.141 -9.109 418 H GLU 55 H GLU 55 15.089 -6.363 -5.550 419 HA GLU 55 HA GLU 55 13.420 -7.523 -3.476 420 1HB GLU 55 2HB GLU 55 16.055 -6.048 -3.462 421 2HB GLU 55 1HB GLU 55 15.209 -6.462 -1.970 422 1HG GLU 55 2HG GLU 55 15.259 -8.828 -2.541 423 2HG GLU 55 1HG GLU 55 15.971 -8.467 -4.113 424 H GLU 56 H GLU 56 14.294 -4.316 -4.690 425 HA GLU 56 HA GLU 56 12.964 -2.856 -2.604 426 1HB GLU 56 2HB GLU 56 14.865 -2.105 -4.262 427 2HB GLU 56 1HB GLU 56 13.507 -1.671 -5.300 428 1HG GLU 56 2HG GLU 56 12.668 -0.102 -3.758 429 2HG GLU 56 1HG GLU 56 13.570 -0.803 -2.415 430 H LEU 57 H LEU 57 12.132 -3.706 -5.980 431 HA LEU 57 HA LEU 57 9.702 -2.294 -6.091 432 1HB LEU 57 2HB LEU 57 9.180 -3.525 -8.024 433 2HB LEU 57 1HB LEU 57 10.911 -3.306 -8.037 434 HG LEU 57 HG LEU 57 10.936 -5.720 -6.985 435 1HD1 LEU 57 1HD1 LEU 57 8.906 -6.885 -8.316 436 2HD1 LEU 57 2HD1 LEU 57 8.135 -5.347 -7.934 437 3HD1 LEU 57 3HD1 LEU 57 8.751 -6.371 -6.638 438 1HD2 LEU 57 1HD2 LEU 57 11.046 -6.645 -9.257 439 2HD2 LEU 57 2HD2 LEU 57 11.810 -5.055 -9.221 440 3HD2 LEU 57 3HD2 LEU 57 10.187 -5.239 -9.887 441 H GLN 58 H GLN 58 10.449 -5.533 -4.859 442 HA GLN 58 HA GLN 58 7.750 -6.369 -4.523 443 1HB GLN 58 2HB GLN 58 9.838 -7.841 -4.487 444 2HB GLN 58 1HB GLN 58 10.066 -7.296 -2.825 445 1HG GLN 58 2HG GLN 58 8.822 -9.409 -2.845 446 2HG GLN 58 1HG GLN 58 7.785 -8.107 -2.266 447 1HE2 GLN 58 1HE2 GLN 58 5.879 -7.653 -3.465 448 2HE2 GLN 58 2HE2 GLN 58 5.475 -8.438 -4.913 449 H GLU 59 H GLU 59 9.956 -4.485 -2.511 450 HA GLU 59 HA GLU 59 8.508 -4.626 -0.078 451 1HB GLU 59 2HB GLU 59 10.447 -2.595 -1.184 452 2HB GLU 59 1HB GLU 59 9.692 -2.403 0.398 453 1HG GLU 59 2HG GLU 59 10.521 -4.793 0.890 454 2HG GLU 59 1HG GLU 59 11.546 -4.598 -0.531 455 H MET 60 H MET 60 8.484 -2.131 -2.652 456 HA MET 60 HA MET 60 6.466 -0.545 -1.450 457 1HB MET 60 2HB MET 60 6.201 0.502 -3.678 458 2HB MET 60 1HB MET 60 7.889 0.400 -3.183 459 1HG MET 60 2HG MET 60 8.218 -1.577 -4.581 460 2HG MET 60 1HG MET 60 6.508 -1.586 -5.016 461 1HE MET 60 1HE MET 60 5.313 -0.126 -6.004 462 2HE MET 60 2HE MET 60 5.882 -0.026 -7.669 463 3HE MET 60 3HE MET 60 5.731 1.442 -6.707 464 H ILE 61 H ILE 61 6.332 -3.392 -3.476 465 HA ILE 61 HA ILE 61 3.576 -3.180 -4.206 466 HB ILE 61 HB ILE 61 5.426 -5.573 -4.064 467 1HG1 ILE 61 2HG1 ILE 61 4.308 -4.200 -6.507 468 2HG1 ILE 61 1HG1 ILE 61 5.783 -3.622 -5.730 469 1HG2 ILE 61 1HG2 ILE 61 3.207 -5.947 -5.834 470 2HG2 ILE 61 2HG2 ILE 61 2.573 -5.498 -4.252 471 3HG2 ILE 61 3HG2 ILE 61 3.637 -6.896 -4.413 472 1HD1 ILE 61 1HD1 ILE 61 6.776 -5.878 -5.966 473 2HD1 ILE 61 2HD1 ILE 61 6.333 -5.196 -7.531 474 3HD1 ILE 61 3HD1 ILE 61 5.313 -6.425 -6.783 475 H ASP 62 H ASP 62 5.306 -5.001 -1.664 476 HA ASP 62 HA ASP 62 3.041 -6.190 -0.484 477 1HB ASP 62 2HB ASP 62 5.808 -5.561 0.464 478 2HB ASP 62 1HB ASP 62 4.594 -6.023 1.658 479 H GLU 63 H GLU 63 4.439 -2.975 -0.146 480 HA GLU 63 HA GLU 63 3.017 -2.153 2.172 481 1HB GLU 63 2HB GLU 63 4.308 -0.664 -0.106 482 2HB GLU 63 1HB GLU 63 3.392 0.191 1.135 483 1HG GLU 63 2HG GLU 63 4.860 -0.495 2.859 484 2HG GLU 63 1HG GLU 63 5.559 -1.776 1.869 485 H VAL 64 H VAL 64 2.292 -1.819 -1.314 486 HA VAL 64 HA VAL 64 -0.259 -0.551 -0.804 487 HB VAL 64 HB VAL 64 1.038 -0.012 -2.834 488 1HG1 VAL 64 1HG1 VAL 64 1.055 -1.690 -4.694 489 2HG1 VAL 64 2HG1 VAL 64 0.452 -2.896 -3.559 490 3HG1 VAL 64 3HG1 VAL 64 2.039 -2.167 -3.311 491 1HG2 VAL 64 1HG2 VAL 64 -1.622 -0.164 -2.623 492 2HG2 VAL 64 2HG2 VAL 64 -1.406 -1.381 -3.880 493 3HG2 VAL 64 3HG2 VAL 64 -0.843 0.269 -4.145 494 H ASP 65 H ASP 65 0.886 -3.821 -1.424 495 HA ASP 65 HA ASP 65 -1.697 -4.941 -1.992 496 1HB ASP 65 2HB ASP 65 0.944 -5.849 -2.154 497 2HB ASP 65 1HB ASP 65 0.217 -6.836 -0.892 498 H GLU 66 H GLU 66 -3.237 -4.807 -0.495 499 HA GLU 66 HA GLU 66 -2.826 -4.621 2.298 500 1HB GLU 66 2HB GLU 66 -5.333 -5.612 0.922 501 2HB GLU 66 1HB GLU 66 -5.212 -4.893 2.527 502 1HG GLU 66 2HG GLU 66 -4.295 -2.807 1.401 503 2HG GLU 66 1HG GLU 66 -4.748 -3.537 -0.139 504 H ASP 67 H ASP 67 -3.778 -7.350 0.237 505 HA ASP 67 HA ASP 67 -3.624 -9.197 2.492 506 1HB ASP 67 2HB ASP 67 -4.409 -10.896 0.889 507 2HB ASP 67 1HB ASP 67 -5.468 -9.489 0.927 508 H GLY 68 H GLY 68 -1.817 -8.439 -0.453 509 1HA GLY 68 2HA GLY 68 0.388 -8.910 -0.985 510 2HA GLY 68 1HA GLY 68 0.565 -9.663 0.596 511 H SER 69 H SER 69 -1.630 -10.395 -2.106 512 HA SER 69 HA SER 69 -1.208 -13.228 -1.860 513 1HB SER 69 2HB SER 69 -2.560 -13.247 -4.053 514 2HB SER 69 1HB SER 69 -3.359 -12.637 -2.609 515 HG SER 69 HG SER 69 -2.446 -11.289 -4.880 516 H GLY 70 H GLY 70 0.292 -10.710 -3.726 517 1HA GLY 70 2HA GLY 70 2.442 -11.114 -4.760 518 2HA GLY 70 1HA GLY 70 1.898 -12.741 -5.156 519 H THR 71 H THR 71 -0.504 -10.349 -5.589 520 HA THR 71 HA THR 71 0.156 -9.863 -8.402 521 HB THR 71 HB THR 71 -2.060 -10.538 -9.166 522 HG1 THR 71 HG1 THR 71 -3.607 -10.922 -7.801 523 1HG2 THR 71 1HG2 THR 71 -0.341 -12.274 -9.175 524 2HG2 THR 71 2HG2 THR 71 -1.900 -12.988 -8.759 525 3HG2 THR 71 3HG2 THR 71 -0.708 -12.676 -7.497 526 H VAL 72 H VAL 72 -0.324 -7.808 -8.971 527 HA VAL 72 HA VAL 72 -1.550 -6.095 -6.965 528 HB VAL 72 HB VAL 72 -0.622 -5.262 -9.715 529 1HG1 VAL 72 1HG1 VAL 72 -0.435 -3.069 -8.673 530 2HG1 VAL 72 2HG1 VAL 72 -0.858 -3.746 -7.100 531 3HG1 VAL 72 3HG1 VAL 72 -2.057 -3.700 -8.392 532 1HG2 VAL 72 1HG2 VAL 72 1.502 -4.605 -8.515 533 2HG2 VAL 72 2HG2 VAL 72 1.271 -6.349 -8.662 534 3HG2 VAL 72 3HG2 VAL 72 0.939 -5.540 -7.129 535 H ASP 73 H ASP 73 -3.606 -5.608 -6.891 536 HA ASP 73 HA ASP 73 -5.400 -6.310 -9.088 537 1HB ASP 73 2HB ASP 73 -5.910 -5.134 -6.334 538 2HB ASP 73 1HB ASP 73 -7.177 -5.513 -7.501 539 H PHE 74 H PHE 74 -6.977 -4.645 -9.890 540 HA PHE 74 HA PHE 74 -5.655 -2.367 -10.844 541 1HB PHE 74 2HB PHE 74 -7.775 -3.375 -11.793 542 2HB PHE 74 1HB PHE 74 -8.653 -2.540 -10.508 543 HD1 PHE 74 HD1 PHE 74 -5.679 -1.534 -12.537 544 HD2 PHE 74 HD2 PHE 74 -9.768 -0.732 -11.507 545 HE1 PHE 74 HE1 PHE 74 -5.612 0.558 -13.874 546 HE2 PHE 74 HE2 PHE 74 -9.699 1.356 -12.840 547 HZ PHE 74 HZ PHE 74 -7.622 2.000 -14.026 548 H ASP 75 H ASP 75 -7.508 -2.866 -7.893 549 HA ASP 75 HA ASP 75 -7.756 -0.112 -7.165 550 1HB ASP 75 2HB ASP 75 -7.724 -2.566 -5.382 551 2HB ASP 75 1HB ASP 75 -8.275 -0.956 -4.916 552 H GLU 76 H GLU 76 -5.417 -2.679 -6.399 553 HA GLU 76 HA GLU 76 -3.768 -1.063 -4.696 554 1HB GLU 76 2HB GLU 76 -2.992 -3.576 -6.205 555 2HB GLU 76 1HB GLU 76 -2.176 -2.895 -4.799 556 1HG GLU 76 2HG GLU 76 -4.160 -3.284 -3.414 557 2HG GLU 76 1HG GLU 76 -5.048 -3.878 -4.814 558 H PHE 77 H PHE 77 -3.951 -1.684 -8.129 559 HA PHE 77 HA PHE 77 -1.398 -0.767 -8.939 560 1HB PHE 77 2HB PHE 77 -3.437 -1.972 -10.215 561 2HB PHE 77 1HB PHE 77 -3.768 -0.316 -10.687 562 HD1 PHE 77 HD1 PHE 77 -3.382 -0.996 -13.006 563 HD2 PHE 77 HD2 PHE 77 -0.236 -1.219 -10.076 564 HE1 PHE 77 HE1 PHE 77 -1.704 -1.183 -14.807 565 HE2 PHE 77 HE2 PHE 77 1.430 -1.400 -11.893 566 HZ PHE 77 HZ PHE 77 0.691 -1.387 -14.259 567 H LEU 78 H LEU 78 -4.574 0.863 -8.877 568 HA LEU 78 HA LEU 78 -3.551 3.428 -9.616 569 1HB LEU 78 2HB LEU 78 -6.155 2.373 -8.629 570 2HB LEU 78 1HB LEU 78 -5.864 4.098 -8.491 571 HG LEU 78 HG LEU 78 -5.800 4.386 -10.831 572 1HD1 LEU 78 1HD1 LEU 78 -5.631 1.377 -11.147 573 2HD1 LEU 78 2HD1 LEU 78 -4.250 2.469 -11.261 574 3HD1 LEU 78 3HD1 LEU 78 -5.560 2.579 -12.436 575 1HD2 LEU 78 1HD2 LEU 78 -7.869 3.346 -11.629 576 2HD2 LEU 78 2HD2 LEU 78 -8.062 3.846 -9.950 577 3HD2 LEU 78 3HD2 LEU 78 -7.786 2.148 -10.337 578 H VAL 79 H VAL 79 -4.187 1.827 -6.525 579 HA VAL 79 HA VAL 79 -3.974 4.074 -4.828 580 HB VAL 79 HB VAL 79 -3.702 1.123 -4.497 581 1HG1 VAL 79 1HG1 VAL 79 -2.709 3.122 -2.441 582 2HG1 VAL 79 2HG1 VAL 79 -1.731 1.917 -3.282 583 3HG1 VAL 79 3HG1 VAL 79 -2.974 1.404 -2.139 584 1HG2 VAL 79 1HG2 VAL 79 -5.827 2.523 -4.260 585 2HG2 VAL 79 2HG2 VAL 79 -5.113 3.184 -2.790 586 3HG2 VAL 79 3HG2 VAL 79 -5.453 1.458 -2.905 587 H MET 80 H MET 80 -1.520 1.778 -5.999 588 HA MET 80 HA MET 80 0.752 2.659 -4.715 589 1HB MET 80 2HB MET 80 0.194 0.978 -6.875 590 2HB MET 80 1HB MET 80 1.300 2.185 -7.529 591 1HG MET 80 2HG MET 80 2.986 1.663 -5.965 592 2HG MET 80 1HG MET 80 1.853 0.850 -4.886 593 1HE MET 80 1HE MET 80 3.509 0.923 -8.311 594 2HE MET 80 2HE MET 80 1.892 0.452 -8.829 595 3HE MET 80 3HE MET 80 3.229 -0.682 -9.001 596 H MET 81 H MET 81 -1.013 4.248 -7.305 597 HA MET 81 HA MET 81 0.991 6.068 -8.152 598 1HB MET 81 2HB MET 81 -1.274 5.517 -9.266 599 2HB MET 81 1HB MET 81 -1.959 6.692 -8.144 600 1HG MET 81 2HG MET 81 0.168 8.102 -9.078 601 2HG MET 81 1HG MET 81 -0.211 7.124 -10.496 602 1HE MET 81 1HE MET 81 -2.604 7.083 -11.694 603 2HE MET 81 2HE MET 81 -4.030 7.796 -10.943 604 3HE MET 81 3HE MET 81 -3.155 6.513 -10.112 605 H VAL 82 H VAL 82 -1.800 6.569 -5.960 606 HA VAL 82 HA VAL 82 -0.974 9.149 -5.088 607 HB VAL 82 HB VAL 82 -2.605 8.828 -3.243 608 1HG1 VAL 82 1HG1 VAL 82 -4.563 8.751 -4.664 609 2HG1 VAL 82 2HG1 VAL 82 -3.673 7.878 -5.913 610 3HG1 VAL 82 3HG1 VAL 82 -3.273 9.558 -5.557 611 1HG2 VAL 82 1HG2 VAL 82 -2.139 6.352 -3.013 612 2HG2 VAL 82 2HG2 VAL 82 -3.092 6.107 -4.478 613 3HG2 VAL 82 3HG2 VAL 82 -3.850 6.779 -3.034 614 H ARG 83 H ARG 83 -0.146 5.918 -4.065 615 HA ARG 83 HA ARG 83 0.765 6.320 -1.464 616 1HB ARG 83 2HB ARG 83 1.739 4.484 -3.651 617 2HB ARG 83 1HB ARG 83 2.448 4.474 -2.037 618 1HG ARG 83 2HG ARG 83 -0.087 4.315 -1.278 619 2HG ARG 83 1HG ARG 83 -0.304 3.664 -2.902 620 1HD ARG 83 2HD ARG 83 0.135 1.763 -1.563 621 2HD ARG 83 1HD ARG 83 1.665 2.105 -2.359 622 HE ARG 83 HE ARG 83 2.576 2.615 -0.285 623 1HH1 ARG 83 2HH1 ARG 83 -0.912 2.546 -0.077 624 2HH1 ARG 83 1HH1 ARG 83 -0.937 2.707 1.644 625 1HH2 ARG 83 1HH2 ARG 83 2.515 2.825 1.974 626 2HH2 ARG 83 2HH2 ARG 83 0.996 2.865 2.803 627 H CYS 84 H CYS 84 2.286 7.160 -4.538 628 HA CYS 84 HA CYS 84 4.903 7.658 -3.618 629 1HB CYS 84 2HB CYS 84 5.283 8.821 -5.635 630 2HB CYS 84 1HB CYS 84 4.062 7.621 -6.049 631 HG CYS 84 HG CYS 84 3.572 10.308 -6.733 632 H MET 85 H MET 85 1.977 9.619 -3.515 633 HA MET 85 HA MET 85 3.314 12.007 -2.600 634 1HB MET 85 2HB MET 85 0.957 11.705 -3.788 635 2HB MET 85 1HB MET 85 0.396 11.549 -2.125 636 1HG MET 85 2HG MET 85 2.282 13.781 -2.610 637 2HG MET 85 1HG MET 85 0.711 13.940 -3.396 638 1HE MET 85 1HE MET 85 -0.419 16.122 -0.677 639 2HE MET 85 2HE MET 85 -1.130 15.321 -2.076 640 3HE MET 85 3HE MET 85 0.484 16.017 -2.194 641 H LYS 86 H LYS 86 1.094 9.637 -1.081 642 HA LYS 86 HA LYS 86 0.928 8.869 1.080 643 1HB LYS 86 2HB LYS 86 3.619 9.084 0.716 644 2HB LYS 86 1HB LYS 86 3.383 10.182 2.075 645 1HG LYS 86 2HG LYS 86 3.684 8.134 3.163 646 2HG LYS 86 1HG LYS 86 1.927 8.231 3.055 647 1HD LYS 86 2HD LYS 86 2.279 6.088 2.235 648 2HD LYS 86 1HD LYS 86 2.321 7.014 0.735 649 1HE LYS 86 2HE LYS 86 4.828 7.168 0.996 650 2HE LYS 86 1HE LYS 86 4.696 6.049 2.353 651 1HZ LYS 86 1HZ LYS 86 3.575 4.482 0.822 652 2HZ LYS 86 2HZ LYS 86 5.183 4.813 0.387 653 3HZ LYS 86 3HZ LYS 86 3.903 5.539 -0.463 654 H ASP 87 H ASP 87 0.398 9.578 3.232 655 HA ASP 87 HA ASP 87 -0.803 12.170 3.279 656 1HB ASP 87 2HB ASP 87 -1.340 11.638 5.659 657 2HB ASP 87 1HB ASP 87 -1.845 10.381 4.533 658 H ASP 88 H ASP 88 2.111 10.798 4.780 659 HA ASP 88 HA ASP 88 3.457 13.297 4.854 660 1HB ASP 88 2HB ASP 88 1.724 13.431 6.812 661 2HB ASP 88 1HB ASP 88 2.835 12.333 7.632 662 H SER 89 HN SER 89 5.447 12.634 4.432 663 HA SER 89 HA SER 89 6.380 10.027 5.381 664 1HB SER 89 2HB SER 89 6.759 10.971 3.003 665 2HB SER 89 1HB SER 89 8.007 11.965 3.748 666 HG SER 89 HG SER 89 9.177 10.229 3.478 Start of MODEL 16 1 1H MET 1 1H MET 1 -7.011 7.035 9.983 2 2H MET 1 2H MET 1 -7.536 8.191 11.110 3 3H MET 1 3H MET 1 -6.050 8.393 10.311 4 HA MET 1 HA MET 1 -8.706 8.387 8.980 5 1HB MET 1 2HB MET 1 -8.086 10.353 10.562 6 2HB MET 1 1HB MET 1 -6.890 10.772 9.338 7 1HG MET 1 2HG MET 1 -8.546 11.147 7.684 8 2HG MET 1 1HG MET 1 -9.782 10.297 8.611 9 1HE MET 1 1HE MET 1 -10.590 13.401 7.575 10 2HE MET 1 2HE MET 1 -8.890 13.122 7.201 11 3HE MET 1 3HE MET 1 -9.355 14.522 8.163 12 H ASN 2 H ASN 2 -7.993 7.043 7.318 13 HA ASN 2 HA ASN 2 -5.813 8.133 5.626 14 1HB ASN 2 2HB ASN 2 -6.720 5.248 5.841 15 2HB ASN 2 1HB ASN 2 -5.409 5.855 4.829 16 1HD2 ASN 2 1HD2 ASN 2 -6.423 5.624 8.273 17 2HD2 ASN 2 2HD2 ASN 2 -4.842 5.597 8.891 18 H ASP 3 H ASP 3 -8.755 8.721 5.671 19 HA ASP 3 HA ASP 3 -10.003 7.487 3.432 20 1HB ASP 3 2HB ASP 3 -10.555 10.076 4.888 21 2HB ASP 3 1HB ASP 3 -11.549 9.493 3.553 22 H ILE 4 H ILE 4 -7.680 10.053 3.706 23 HA ILE 4 HA ILE 4 -8.208 11.513 1.367 24 HB ILE 4 HB ILE 4 -5.828 12.188 1.439 25 1HG1 ILE 4 2HG1 ILE 4 -4.776 11.156 3.734 26 2HG1 ILE 4 1HG1 ILE 4 -5.681 9.763 3.145 27 1HG2 ILE 4 1HG2 ILE 4 -5.894 12.954 3.913 28 2HG2 ILE 4 2HG2 ILE 4 -7.453 12.134 3.978 29 3HG2 ILE 4 3HG2 ILE 4 -7.208 13.471 2.856 30 1HD1 ILE 4 1HD1 ILE 4 -4.462 9.657 1.137 31 2HD1 ILE 4 2HD1 ILE 4 -3.229 10.074 2.327 32 3HD1 ILE 4 3HD1 ILE 4 -3.902 11.324 1.280 33 H TYR 5 H TYR 5 -6.537 8.451 1.834 34 HA TYR 5 HA TYR 5 -5.276 8.227 -0.681 35 1HB TYR 5 2HB TYR 5 -6.310 6.170 1.273 36 2HB TYR 5 1HB TYR 5 -5.557 5.703 -0.251 37 HD1 TYR 5 HD1 TYR 5 -3.190 5.859 -0.576 38 HD2 TYR 5 HD2 TYR 5 -5.007 7.537 2.938 39 HE1 TYR 5 HE1 TYR 5 -0.947 6.192 0.428 40 HE2 TYR 5 HE2 TYR 5 -2.767 7.870 3.939 41 HH TYR 5 HH TYR 5 0.072 7.732 2.184 42 H LYS 6 H LYS 6 -8.534 7.372 0.411 43 HA LYS 6 HA LYS 6 -9.322 6.343 -2.191 44 1HB LYS 6 2HB LYS 6 -10.650 6.658 0.472 45 2HB LYS 6 1HB LYS 6 -11.657 6.471 -0.965 46 1HG LYS 6 2HG LYS 6 -11.202 4.269 -1.075 47 2HG LYS 6 1HG LYS 6 -9.467 4.577 -1.024 48 1HD LYS 6 2HD LYS 6 -10.993 4.879 1.526 49 2HD LYS 6 1HD LYS 6 -10.712 3.242 0.933 50 1HE LYS 6 2HE LYS 6 -8.401 3.415 1.135 51 2HE LYS 6 1HE LYS 6 -8.416 5.172 0.987 52 1HZ LYS 6 1HZ LYS 6 -7.949 4.423 3.257 53 2HZ LYS 6 2HZ LYS 6 -9.461 3.653 3.316 54 3HZ LYS 6 3HZ LYS 6 -9.370 5.344 3.175 55 H ALA 7 H ALA 7 -9.431 9.377 -0.476 56 HA ALA 7 HA ALA 7 -11.546 10.605 -1.931 57 1HB ALA 7 1HB ALA 7 -9.218 11.782 -0.404 58 2HB ALA 7 2HB ALA 7 -10.868 11.558 0.174 59 3HB ALA 7 3HB ALA 7 -10.530 12.740 -1.091 60 H ALA 8 H ALA 8 -8.138 10.111 -2.595 61 HA ALA 8 HA ALA 8 -8.039 12.073 -4.729 62 1HB ALA 8 1HB ALA 8 -6.015 11.583 -3.439 63 2HB ALA 8 2HB ALA 8 -5.779 11.173 -5.138 64 3HB ALA 8 3HB ALA 8 -6.080 9.898 -3.957 65 H VAL 9 H VAL 9 -8.141 8.516 -4.486 66 HA VAL 9 HA VAL 9 -8.011 8.018 -7.276 67 HB VAL 9 HB VAL 9 -7.591 6.299 -5.503 68 1HG1 VAL 9 1HG1 VAL 9 -9.484 6.806 -4.031 69 2HG1 VAL 9 2HG1 VAL 9 -9.562 5.126 -4.558 70 3HG1 VAL 9 3HG1 VAL 9 -10.618 6.332 -5.294 71 1HG2 VAL 9 1HG2 VAL 9 -9.764 5.521 -7.472 72 2HG2 VAL 9 2HG2 VAL 9 -8.538 4.462 -6.777 73 3HG2 VAL 9 3HG2 VAL 9 -8.068 5.733 -7.906 74 H GLU 10 H GLU 10 -10.649 8.977 -5.193 75 HA GLU 10 HA GLU 10 -12.709 8.228 -7.082 76 1HB GLU 10 2HB GLU 10 -14.263 9.203 -5.521 77 2HB GLU 10 1HB GLU 10 -13.085 8.257 -4.612 78 1HG GLU 10 2HG GLU 10 -11.926 10.199 -3.884 79 2HG GLU 10 1HG GLU 10 -12.742 11.227 -5.060 80 H GLN 11 H GLN 11 -10.619 10.958 -6.640 81 HA GLN 11 HA GLN 11 -12.302 12.498 -8.525 82 1HB GLN 11 2HB GLN 11 -11.633 14.555 -7.471 83 2HB GLN 11 1HB GLN 11 -12.264 13.479 -6.227 84 1HG GLN 11 2HG GLN 11 -9.792 12.752 -5.897 85 2HG GLN 11 1HG GLN 11 -9.394 14.220 -6.788 86 1HE2 GLN 11 1HE2 GLN 11 -8.381 14.734 -4.528 87 2HE2 GLN 11 2HE2 GLN 11 -9.395 15.498 -3.402 88 H LEU 12 H LEU 12 -9.888 10.635 -8.918 89 HA LEU 12 HA LEU 12 -7.772 12.386 -9.819 90 1HB LEU 12 2HB LEU 12 -7.044 10.181 -11.029 91 2HB LEU 12 1HB LEU 12 -6.849 10.360 -9.303 92 HG LEU 12 HG LEU 12 -8.788 8.966 -8.895 93 1HD1 LEU 12 1HD1 LEU 12 -9.840 7.833 -10.953 94 2HD1 LEU 12 2HD1 LEU 12 -9.100 9.128 -11.896 95 3HD1 LEU 12 3HD1 LEU 12 -10.292 9.511 -10.652 96 1HD2 LEU 12 1HD2 LEU 12 -7.777 6.947 -9.442 97 2HD2 LEU 12 2HD2 LEU 12 -6.426 8.055 -9.680 98 3HD2 LEU 12 3HD2 LEU 12 -7.353 7.483 -11.067 99 H THR 13 H THR 13 -6.974 11.754 -12.251 100 HA THR 13 HA THR 13 -9.163 12.713 -13.946 101 HB THR 13 HB THR 13 -7.034 12.597 -15.622 102 HG1 THR 13 HG1 THR 13 -5.391 12.129 -14.411 103 1HG2 THR 13 1HG2 THR 13 -7.251 14.846 -15.595 104 2HG2 THR 13 2HG2 THR 13 -6.970 14.952 -13.857 105 3HG2 THR 13 3HG2 THR 13 -8.572 14.539 -14.470 106 H ASP 14 H ASP 14 -9.341 11.845 -16.143 107 HA ASP 14 HA ASP 14 -9.740 9.006 -16.104 108 1HB ASP 14 2HB ASP 14 -9.933 11.094 -18.279 109 2HB ASP 14 1HB ASP 14 -10.209 9.381 -18.591 110 H GLU 15 H GLU 15 -7.253 11.185 -17.290 111 HA GLU 15 HA GLU 15 -5.872 9.265 -18.913 112 1HB GLU 15 2HB GLU 15 -5.318 12.006 -17.895 113 2HB GLU 15 1HB GLU 15 -3.924 11.020 -18.333 114 1HG GLU 15 2HG GLU 15 -5.311 10.503 -20.502 115 2HG GLU 15 1HG GLU 15 -6.181 11.975 -20.072 116 H GLN 16 H GLN 16 -5.630 10.352 -15.559 117 HA GLN 16 HA GLN 16 -3.248 9.036 -14.829 118 1HB GLN 16 2HB GLN 16 -4.293 10.699 -13.373 119 2HB GLN 16 1HB GLN 16 -5.695 9.654 -13.151 120 1HG GLN 16 2HG GLN 16 -4.636 8.361 -11.619 121 2HG GLN 16 1HG GLN 16 -3.130 8.337 -12.541 122 1HE2 GLN 16 1HE2 GLN 16 -5.077 10.838 -10.782 123 2HE2 GLN 16 2HE2 GLN 16 -3.737 11.531 -10.008 124 H LYS 17 H LYS 17 -6.628 7.958 -14.845 125 HA LYS 17 HA LYS 17 -6.141 5.378 -13.722 126 1HB LYS 17 2HB LYS 17 -8.410 6.288 -15.514 127 2HB LYS 17 1HB LYS 17 -8.384 4.810 -14.554 128 1HG LYS 17 2HG LYS 17 -8.620 5.946 -12.543 129 2HG LYS 17 1HG LYS 17 -7.895 7.426 -13.173 130 1HD LYS 17 2HD LYS 17 -10.003 8.202 -13.423 131 2HD LYS 17 1HD LYS 17 -10.150 7.074 -14.769 132 1HE LYS 17 2HE LYS 17 -10.652 6.161 -11.940 133 2HE LYS 17 1HE LYS 17 -11.923 6.952 -12.872 134 1HZ LYS 17 1HZ LYS 17 -11.540 5.277 -14.632 135 2HZ LYS 17 2HZ LYS 17 -12.097 4.604 -13.175 136 3HZ LYS 17 3HZ LYS 17 -10.457 4.475 -13.601 137 H ASN 18 H ASN 18 -6.224 6.672 -17.014 138 HA ASN 18 HA ASN 18 -6.108 4.179 -18.378 139 1HB ASN 18 2HB ASN 18 -5.546 7.023 -19.144 140 2HB ASN 18 1HB ASN 18 -5.081 5.719 -20.236 141 1HD2 ASN 18 1HD2 ASN 18 -7.465 7.853 -20.026 142 2HD2 ASN 18 2HD2 ASN 18 -8.806 6.909 -20.466 143 H GLU 19 H GLU 19 -3.622 6.233 -16.953 144 HA GLU 19 HA GLU 19 -1.353 5.260 -18.292 145 1HB GLU 19 2HB GLU 19 -1.352 5.895 -15.339 146 2HB GLU 19 1HB GLU 19 -0.034 6.078 -16.494 147 1HG GLU 19 2HG GLU 19 -1.934 7.655 -17.644 148 2HG GLU 19 1HG GLU 19 -2.323 7.859 -15.935 149 H PHE 20 H PHE 20 -2.906 4.097 -15.308 150 HA PHE 20 HA PHE 20 -1.148 1.783 -15.197 151 1HB PHE 20 2HB PHE 20 -3.349 2.839 -13.445 152 2HB PHE 20 1HB PHE 20 -2.701 1.214 -13.220 153 HD1 PHE 20 HD1 PHE 20 -1.909 4.834 -13.105 154 HD2 PHE 20 HD2 PHE 20 -0.442 0.853 -12.442 155 HE1 PHE 20 HE1 PHE 20 0.031 5.750 -11.880 156 HE2 PHE 20 HE2 PHE 20 1.495 1.764 -11.206 157 HZ PHE 20 HZ PHE 20 1.740 4.219 -10.928 158 H LYS 21 H LYS 21 -4.600 2.434 -15.824 159 HA LYS 21 HA LYS 21 -5.494 -0.216 -15.966 160 1HB LYS 21 2HB LYS 21 -7.013 1.719 -15.953 161 2HB LYS 21 1HB LYS 21 -6.485 2.145 -17.579 162 1HG LYS 21 2HG LYS 21 -7.373 -0.658 -17.261 163 2HG LYS 21 1HG LYS 21 -8.639 0.547 -17.031 164 1HD LYS 21 2HD LYS 21 -6.850 0.992 -19.359 165 2HD LYS 21 1HD LYS 21 -7.921 -0.404 -19.470 166 1HE LYS 21 2HE LYS 21 -9.051 2.216 -18.544 167 2HE LYS 21 1HE LYS 21 -8.754 1.975 -20.264 168 1HZ LYS 21 1HZ LYS 21 -10.983 1.299 -19.705 169 2HZ LYS 21 2HZ LYS 21 -10.408 0.239 -18.509 170 3HZ LYS 21 3HZ LYS 21 -10.078 -0.065 -20.148 171 H ALA 22 H ALA 22 -3.952 1.795 -18.456 172 HA ALA 22 HA ALA 22 -4.337 0.073 -20.662 173 1HB ALA 22 1HB ALA 22 -3.517 2.350 -20.972 174 2HB ALA 22 2HB ALA 22 -2.348 1.207 -21.633 175 3HB ALA 22 3HB ALA 22 -2.050 1.968 -20.070 176 H ALA 23 H ALA 23 -1.565 0.400 -18.452 177 HA ALA 23 HA ALA 23 -0.099 -1.818 -19.458 178 1HB ALA 23 1HB ALA 23 1.379 -1.463 -17.671 179 2HB ALA 23 2HB ALA 23 0.105 -0.855 -16.611 180 3HB ALA 23 3HB ALA 23 0.701 0.142 -17.939 181 H PHE 24 H PHE 24 -2.507 -1.399 -16.931 182 HA PHE 24 HA PHE 24 -2.307 -3.885 -15.644 183 1HB PHE 24 2HB PHE 24 -3.704 -1.832 -14.974 184 2HB PHE 24 1HB PHE 24 -4.918 -2.439 -16.099 185 HD1 PHE 24 HD1 PHE 24 -5.815 -4.798 -15.778 186 HD2 PHE 24 HD2 PHE 24 -3.448 -2.780 -12.820 187 HE1 PHE 24 HE1 PHE 24 -6.607 -6.391 -14.057 188 HE2 PHE 24 HE2 PHE 24 -4.242 -4.367 -11.097 189 HZ PHE 24 HZ PHE 24 -5.822 -6.168 -11.712 190 H ASP 25 H ASP 25 -4.289 -2.867 -18.421 191 HA ASP 25 HA ASP 25 -5.688 -5.269 -18.816 192 1HB ASP 25 2HB ASP 25 -6.006 -2.941 -19.933 193 2HB ASP 25 1HB ASP 25 -4.852 -3.539 -21.126 194 H ILE 26 H ILE 26 -2.564 -4.204 -20.166 195 HA ILE 26 HA ILE 26 -2.255 -6.563 -21.778 196 HB ILE 26 HB ILE 26 0.101 -5.769 -22.088 197 1HG1 ILE 26 2HG1 ILE 26 -0.821 -3.435 -20.376 198 2HG1 ILE 26 1HG1 ILE 26 0.306 -4.678 -19.839 199 1HG2 ILE 26 1HG2 ILE 26 -2.054 -3.668 -22.471 200 2HG2 ILE 26 2HG2 ILE 26 -1.774 -5.040 -23.543 201 3HG2 ILE 26 3HG2 ILE 26 -0.546 -3.787 -23.377 202 1HD1 ILE 26 1HD1 ILE 26 2.029 -3.808 -21.035 203 2HD1 ILE 26 2HD1 ILE 26 1.055 -2.337 -21.037 204 3HD1 ILE 26 3HD1 ILE 26 1.004 -3.430 -22.420 205 H PHE 27 H PHE 27 -1.033 -5.570 -18.583 206 HA PHE 27 HA PHE 27 0.696 -7.817 -18.268 207 1HB PHE 27 2HB PHE 27 -0.476 -5.847 -16.310 208 2HB PHE 27 1HB PHE 27 0.532 -7.199 -15.784 209 HD1 PHE 27 HD1 PHE 27 2.644 -7.519 -17.597 210 HD2 PHE 27 HD2 PHE 27 0.720 -3.847 -16.472 211 HE1 PHE 27 HE1 PHE 27 4.667 -6.253 -18.262 212 HE2 PHE 27 HE2 PHE 27 2.743 -2.585 -17.141 213 HZ PHE 27 HZ PHE 27 4.718 -3.786 -18.034 214 H ILE 28 H ILE 28 -2.740 -7.321 -17.623 215 HA ILE 28 HA ILE 28 -2.890 -9.957 -16.318 216 HB ILE 28 HB ILE 28 -5.180 -9.418 -15.739 217 1HG1 ILE 28 2HG1 ILE 28 -5.732 -6.840 -16.369 218 2HG1 ILE 28 1HG1 ILE 28 -4.791 -7.298 -17.789 219 1HG2 ILE 28 1HG2 ILE 28 -4.689 -7.870 -14.103 220 2HG2 ILE 28 2HG2 ILE 28 -3.796 -6.825 -15.205 221 3HG2 ILE 28 3HG2 ILE 28 -3.055 -8.306 -14.602 222 1HD1 ILE 28 1HD1 ILE 28 -6.340 -8.867 -18.482 223 2HD1 ILE 28 2HD1 ILE 28 -7.418 -7.724 -17.683 224 3HD1 ILE 28 3HD1 ILE 28 -6.906 -9.187 -16.843 225 H GLN 29 H GLN 29 -2.537 -9.212 -19.346 226 HA GLN 29 HA GLN 29 -4.686 -9.931 -20.901 227 1HB GLN 29 2HB GLN 29 -2.528 -9.217 -21.826 228 2HB GLN 29 1HB GLN 29 -1.793 -10.733 -21.306 229 1HG GLN 29 2HG GLN 29 -3.178 -12.010 -22.800 230 2HG GLN 29 1HG GLN 29 -4.160 -10.596 -23.189 231 1HE2 GLN 29 1HE2 GLN 29 -2.652 -8.641 -24.033 232 2HE2 GLN 29 2HE2 GLN 29 -1.493 -9.096 -25.186 233 H ASP 30 H ASP 30 -2.423 -12.089 -19.225 234 HA ASP 30 HA ASP 30 -4.154 -14.387 -19.917 235 1HB ASP 30 2HB ASP 30 -1.211 -14.183 -19.307 236 2HB ASP 30 1HB ASP 30 -2.070 -15.717 -19.161 237 H ALA 31 H ALA 31 -4.707 -12.486 -17.754 238 HA ALA 31 HA ALA 31 -4.198 -14.085 -15.335 239 1HB ALA 31 1HB ALA 31 -3.757 -11.593 -15.332 240 2HB ALA 31 2HB ALA 31 -4.853 -12.155 -14.071 241 3HB ALA 31 3HB ALA 31 -5.496 -11.358 -15.506 242 H GLU 32 H GLU 32 -5.979 -14.498 -13.868 243 HA GLU 32 HA GLU 32 -8.614 -14.642 -15.211 244 1HB GLU 32 2HB GLU 32 -7.277 -16.792 -13.551 245 2HB GLU 32 1HB GLU 32 -8.959 -16.840 -14.079 246 1HG GLU 32 2HG GLU 32 -8.286 -16.817 -16.413 247 2HG GLU 32 1HG GLU 32 -6.597 -16.587 -15.963 248 H ASP 33 H ASP 33 -7.387 -12.799 -13.100 249 HA ASP 33 HA ASP 33 -9.679 -12.912 -11.285 250 1HB ASP 33 2HB ASP 33 -7.513 -14.175 -10.385 251 2HB ASP 33 1HB ASP 33 -7.035 -12.532 -9.958 252 H GLY 34 H GLY 34 -8.309 -11.077 -13.410 253 1HA GLY 34 2HA GLY 34 -8.047 -8.817 -13.762 254 2HA GLY 34 1HA GLY 34 -9.176 -8.614 -12.427 255 H CYS 35 H CYS 35 -5.829 -9.851 -12.641 256 HA CYS 35 HA CYS 35 -4.844 -7.646 -10.980 257 1HB CYS 35 2HB CYS 35 -4.541 -10.541 -10.135 258 2HB CYS 35 1HB CYS 35 -3.805 -9.150 -9.343 259 HG CYS 35 HG CYS 35 -5.913 -9.284 -7.997 260 H ILE 36 H ILE 36 -2.699 -7.190 -11.348 261 HA ILE 36 HA ILE 36 -1.426 -8.675 -13.525 262 HB ILE 36 HB ILE 36 0.083 -6.886 -13.772 263 1HG1 ILE 36 2HG1 ILE 36 -0.235 -5.045 -11.729 264 2HG1 ILE 36 1HG1 ILE 36 -0.308 -6.586 -10.873 265 1HG2 ILE 36 1HG2 ILE 36 -1.727 -5.802 -14.604 266 2HG2 ILE 36 2HG2 ILE 36 -1.572 -4.803 -13.159 267 3HG2 ILE 36 3HG2 ILE 36 -2.713 -6.145 -13.183 268 1HD1 ILE 36 1HD1 ILE 36 1.788 -6.831 -12.768 269 2HD1 ILE 36 2HD1 ILE 36 1.939 -6.723 -11.014 270 3HD1 ILE 36 3HD1 ILE 36 1.995 -5.259 -11.996 271 H SER 37 H SER 37 0.940 -9.191 -13.320 272 HA SER 37 HA SER 37 1.336 -10.682 -10.852 273 1HB SER 37 2HB SER 37 1.984 -11.249 -13.431 274 2HB SER 37 1HB SER 37 3.516 -10.607 -12.848 275 HG SER 37 HG SER 37 2.092 -12.879 -12.072 276 H THR 38 H THR 38 2.071 -9.574 -9.148 277 HA THR 38 HA THR 38 3.513 -7.157 -9.222 278 HB THR 38 HB THR 38 2.415 -7.772 -7.174 279 HG1 THR 38 HG1 THR 38 4.166 -7.532 -5.740 280 1HG2 THR 38 1HG2 THR 38 2.595 -9.783 -6.107 281 2HG2 THR 38 2HG2 THR 38 4.310 -9.950 -6.488 282 3HG2 THR 38 3HG2 THR 38 3.096 -10.337 -7.705 283 H LYS 39 H LYS 39 4.589 -10.513 -9.230 284 HA LYS 39 HA LYS 39 7.356 -10.018 -8.808 285 1HB LYS 39 2HB LYS 39 7.714 -12.273 -9.715 286 2HB LYS 39 1HB LYS 39 6.381 -12.269 -8.563 287 1HG LYS 39 2HG LYS 39 5.067 -11.736 -10.914 288 2HG LYS 39 1HG LYS 39 6.357 -12.804 -11.467 289 1HD LYS 39 2HD LYS 39 5.592 -14.157 -9.262 290 2HD LYS 39 1HD LYS 39 4.061 -13.378 -9.663 291 1HE LYS 39 2HE LYS 39 4.176 -14.279 -11.945 292 2HE LYS 39 1HE LYS 39 5.734 -15.021 -11.587 293 1HZ LYS 39 1HZ LYS 39 3.927 -16.610 -11.380 294 2HZ LYS 39 2HZ LYS 39 3.172 -15.634 -10.213 295 3HZ LYS 39 3HZ LYS 39 4.673 -16.356 -9.878 296 H GLU 40 H GLU 40 5.272 -9.740 -11.595 297 HA GLU 40 HA GLU 40 7.602 -9.279 -13.352 298 1HB GLU 40 2HB GLU 40 4.701 -9.718 -14.116 299 2HB GLU 40 1HB GLU 40 6.068 -9.584 -15.223 300 1HG GLU 40 2HG GLU 40 6.991 -11.564 -13.634 301 2HG GLU 40 1HG GLU 40 5.258 -11.856 -13.481 302 H LEU 41 H LEU 41 6.327 -7.400 -11.303 303 HA LEU 41 HA LEU 41 5.021 -5.340 -12.808 304 1HB LEU 41 2HB LEU 41 5.186 -5.907 -10.164 305 2HB LEU 41 1HB LEU 41 6.338 -4.596 -10.281 306 HG LEU 41 HG LEU 41 3.757 -4.085 -11.618 307 1HD1 LEU 41 1HD1 LEU 41 2.661 -5.115 -9.849 308 2HD1 LEU 41 2HD1 LEU 41 2.877 -3.491 -9.196 309 3HD1 LEU 41 3HD1 LEU 41 3.968 -4.789 -8.712 310 1HD2 LEU 41 1HD2 LEU 41 5.426 -2.335 -11.381 311 2HD2 LEU 41 2HD2 LEU 41 5.525 -2.610 -9.641 312 3HD2 LEU 41 3HD2 LEU 41 4.055 -1.935 -10.346 313 H GLY 42 H GLY 42 8.280 -6.273 -12.618 314 1HA GLY 42 2HA GLY 42 9.658 -3.820 -12.608 315 2HA GLY 42 1HA GLY 42 10.226 -5.301 -13.376 316 H LYS 43 H LYS 43 7.958 -5.557 -15.164 317 HA LYS 43 HA LYS 43 8.876 -3.965 -17.356 318 1HB LYS 43 2HB LYS 43 6.303 -5.551 -17.153 319 2HB LYS 43 1HB LYS 43 7.089 -5.005 -18.633 320 1HG LYS 43 2HG LYS 43 8.500 -6.801 -16.653 321 2HG LYS 43 1HG LYS 43 7.487 -7.452 -17.941 322 1HD LYS 43 2HD LYS 43 8.884 -6.587 -19.640 323 2HD LYS 43 1HD LYS 43 9.683 -5.470 -18.533 324 1HE LYS 43 2HE LYS 43 9.862 -8.462 -18.160 325 2HE LYS 43 1HE LYS 43 10.990 -7.591 -19.198 326 1HZ LYS 43 1HZ LYS 43 11.968 -7.703 -17.070 327 2HZ LYS 43 2HZ LYS 43 10.539 -7.215 -16.291 328 3HZ LYS 43 3HZ LYS 43 11.414 -6.109 -17.239 329 H VAL 44 H VAL 44 6.541 -3.459 -14.864 330 HA VAL 44 HA VAL 44 5.083 -1.399 -16.339 331 HB VAL 44 HB VAL 44 4.686 -1.769 -13.404 332 1HG1 VAL 44 1HG1 VAL 44 3.430 -0.398 -15.460 333 2HG1 VAL 44 2HG1 VAL 44 2.741 -0.728 -13.871 334 3HG1 VAL 44 3HG1 VAL 44 2.395 -1.805 -15.224 335 1HG2 VAL 44 1HG2 VAL 44 4.612 -3.996 -15.220 336 2HG2 VAL 44 2HG2 VAL 44 2.961 -3.609 -14.738 337 3HG2 VAL 44 3HG2 VAL 44 4.177 -3.959 -13.512 338 H MET 45 H MET 45 7.287 -1.757 -13.592 339 HA MET 45 HA MET 45 7.384 0.863 -12.667 340 1HB MET 45 2HB MET 45 8.900 -1.510 -12.290 341 2HB MET 45 1HB MET 45 10.044 -0.220 -12.661 342 1HG MET 45 2HG MET 45 9.848 0.221 -10.428 343 2HG MET 45 1HG MET 45 8.399 1.083 -10.940 344 1HE MET 45 1HE MET 45 6.764 1.091 -9.572 345 2HE MET 45 2HE MET 45 5.838 -0.241 -8.885 346 3HE MET 45 3HE MET 45 5.822 0.027 -10.625 347 H ARG 46 H ARG 46 9.230 -0.662 -15.302 348 HA ARG 46 HA ARG 46 10.789 1.626 -15.955 349 1HB ARG 46 2HB ARG 46 11.236 0.498 -18.097 350 2HB ARG 46 1HB ARG 46 11.414 -0.614 -16.741 351 1HG ARG 46 2HG ARG 46 9.222 -1.573 -17.167 352 2HG ARG 46 1HG ARG 46 8.897 -0.374 -18.419 353 1HD ARG 46 2HD ARG 46 11.188 -2.351 -18.530 354 2HD ARG 46 1HD ARG 46 9.631 -2.614 -19.306 355 HE ARG 46 HE ARG 46 10.494 -0.152 -20.229 356 1HH1 ARG 46 2HH1 ARG 46 11.699 -3.430 -20.221 357 2HH1 ARG 46 1HH1 ARG 46 12.594 -3.237 -21.689 358 1HH2 ARG 46 1HH2 ARG 46 11.675 0.077 -22.154 359 2HH2 ARG 46 2HH2 ARG 46 12.582 -1.259 -22.781 360 H MET 47 H MET 47 7.556 0.598 -16.860 361 HA MET 47 HA MET 47 7.230 2.557 -18.959 362 1HB MET 47 2HB MET 47 5.356 0.671 -17.540 363 2HB MET 47 1HB MET 47 4.766 1.876 -18.683 364 1HG MET 47 2HG MET 47 7.061 0.166 -19.539 365 2HG MET 47 1HG MET 47 5.462 -0.577 -19.482 366 1HE MET 47 1HE MET 47 7.159 2.879 -21.641 367 2HE MET 47 2HE MET 47 7.563 1.364 -22.444 368 3HE MET 47 3HE MET 47 7.898 1.557 -20.726 369 H LEU 48 H LEU 48 6.687 2.412 -15.502 370 HA LEU 48 HA LEU 48 4.924 4.690 -15.367 371 1HB LEU 48 2HB LEU 48 6.329 2.930 -13.429 372 2HB LEU 48 1HB LEU 48 5.899 4.532 -12.876 373 HG LEU 48 HG LEU 48 3.546 4.089 -13.264 374 1HD1 LEU 48 1HD1 LEU 48 4.184 1.266 -14.083 375 2HD1 LEU 48 2HD1 LEU 48 4.152 2.546 -15.296 376 3HD1 LEU 48 3HD1 LEU 48 2.707 2.190 -14.350 377 1HD2 LEU 48 1HD2 LEU 48 5.203 2.192 -11.672 378 2HD2 LEU 48 2HD2 LEU 48 3.504 1.765 -11.891 379 3HD2 LEU 48 3HD2 LEU 48 3.939 3.301 -11.138 380 H GLY 49 H GLY 49 8.365 4.118 -15.285 381 1HA GLY 49 2HA GLY 49 9.809 5.958 -16.034 382 2HA GLY 49 1HA GLY 49 8.832 7.036 -15.045 383 H GLN 50 H GLN 50 9.955 3.821 -14.062 384 HA GLN 50 HA GLN 50 12.120 4.909 -12.452 385 1HB GLN 50 2HB GLN 50 11.208 4.000 -10.314 386 2HB GLN 50 1HB GLN 50 10.278 5.358 -10.944 387 1HG GLN 50 2HG GLN 50 9.116 3.087 -12.121 388 2HG GLN 50 1HG GLN 50 9.427 2.622 -10.450 389 1HE2 GLN 50 1HE2 GLN 50 8.122 5.480 -12.254 390 2HE2 GLN 50 2HE2 GLN 50 6.899 5.805 -11.123 391 H ASN 51 H ASN 51 13.710 3.448 -12.206 392 HA ASN 51 HA ASN 51 13.061 0.603 -12.721 393 1HB ASN 51 2HB ASN 51 14.447 2.059 -14.481 394 2HB ASN 51 1HB ASN 51 15.774 1.635 -13.402 395 1HD2 ASN 51 1HD2 ASN 51 13.064 0.112 -15.228 396 2HD2 ASN 51 2HD2 ASN 51 13.872 -1.360 -15.480 397 HA PRO 52 HA PRO 52 15.154 0.764 -8.648 398 1HB PRO 52 2HB PRO 52 13.386 -0.906 -7.396 399 2HB PRO 52 1HB PRO 52 13.133 0.837 -7.570 400 1HG PRO 52 2HG PRO 52 11.807 -1.399 -8.966 401 2HG PRO 52 1HG PRO 52 11.225 0.243 -8.662 402 1HD PRO 52 2HD PRO 52 12.304 -0.767 -11.104 403 2HD PRO 52 1HD PRO 52 11.890 0.924 -10.735 404 H THR 53 H THR 53 15.111 -1.554 -7.096 405 HA THR 53 HA THR 53 16.631 -3.447 -8.777 406 HB THR 53 HB THR 53 17.849 -4.040 -6.864 407 HG1 THR 53 HG1 THR 53 16.979 -4.176 -4.941 408 1HG2 THR 53 1HG2 THR 53 18.120 -1.599 -7.490 409 2HG2 THR 53 2HG2 THR 53 18.594 -2.014 -5.842 410 3HG2 THR 53 3HG2 THR 53 17.048 -1.220 -6.141 411 HA PRO 54 HA PRO 54 13.635 -6.639 -8.140 412 1HB PRO 54 2HB PRO 54 15.044 -8.824 -7.270 413 2HB PRO 54 1HB PRO 54 15.077 -8.221 -8.934 414 1HG PRO 54 2HG PRO 54 17.123 -7.971 -6.797 415 2HG PRO 54 1HG PRO 54 17.328 -8.045 -8.553 416 1HD PRO 54 2HD PRO 54 17.451 -5.718 -6.996 417 2HD PRO 54 1HD PRO 54 17.239 -5.762 -8.761 418 H GLU 55 H GLU 55 15.678 -5.997 -5.368 419 HA GLU 55 HA GLU 55 13.953 -7.328 -3.454 420 1HB GLU 55 2HB GLU 55 16.302 -5.443 -3.123 421 2HB GLU 55 1HB GLU 55 15.418 -6.155 -1.772 422 1HG GLU 55 2HG GLU 55 15.912 -8.428 -2.759 423 2HG GLU 55 1HG GLU 55 16.969 -7.626 -3.921 424 H GLU 56 H GLU 56 14.574 -4.034 -4.609 425 HA GLU 56 HA GLU 56 12.740 -2.795 -2.753 426 1HB GLU 56 2HB GLU 56 14.777 -1.697 -3.877 427 2HB GLU 56 1HB GLU 56 13.756 -1.556 -5.307 428 1HG GLU 56 2HG GLU 56 12.099 -0.278 -4.047 429 2HG GLU 56 1HG GLU 56 13.031 -0.484 -2.564 430 H LEU 57 H LEU 57 12.596 -4.024 -6.056 431 HA LEU 57 HA LEU 57 10.208 -2.815 -6.909 432 1HB LEU 57 2HB LEU 57 11.451 -3.863 -8.571 433 2HB LEU 57 1HB LEU 57 11.715 -5.300 -7.617 434 HG LEU 57 HG LEU 57 10.226 -5.507 -9.659 435 1HD1 LEU 57 1HD1 LEU 57 8.527 -6.422 -7.451 436 2HD1 LEU 57 2HD1 LEU 57 10.234 -6.813 -7.240 437 3HD1 LEU 57 3HD1 LEU 57 9.376 -7.355 -8.684 438 1HD2 LEU 57 1HD2 LEU 57 7.827 -4.741 -8.211 439 2HD2 LEU 57 2HD2 LEU 57 8.340 -4.284 -9.834 440 3HD2 LEU 57 3HD2 LEU 57 8.896 -3.357 -8.440 441 H GLN 58 H GLN 58 10.812 -5.887 -5.220 442 HA GLN 58 HA GLN 58 8.017 -6.557 -5.020 443 1HB GLN 58 2HB GLN 58 9.907 -8.236 -5.019 444 2HB GLN 58 1HB GLN 58 10.301 -7.690 -3.390 445 1HG GLN 58 2HG GLN 58 8.890 -9.587 -3.093 446 2HG GLN 58 1HG GLN 58 7.857 -8.191 -2.793 447 1HE2 GLN 58 1HE2 GLN 58 5.999 -7.988 -4.088 448 2HE2 GLN 58 2HE2 GLN 58 5.686 -8.943 -5.456 449 H GLU 59 H GLU 59 10.380 -4.943 -2.958 450 HA GLU 59 HA GLU 59 8.880 -4.983 -0.549 451 1HB GLU 59 2HB GLU 59 11.223 -3.467 -1.578 452 2HB GLU 59 1HB GLU 59 10.343 -2.759 -0.223 453 1HG GLU 59 2HG GLU 59 10.595 -4.832 1.061 454 2HG GLU 59 1HG GLU 59 11.414 -5.597 -0.302 455 H MET 60 H MET 60 9.107 -2.562 -3.168 456 HA MET 60 HA MET 60 7.419 -0.659 -1.910 457 1HB MET 60 2HB MET 60 7.320 0.471 -4.052 458 2HB MET 60 1HB MET 60 8.968 -0.077 -3.755 459 1HG MET 60 2HG MET 60 8.501 -2.094 -5.155 460 2HG MET 60 1HG MET 60 6.911 -1.431 -5.527 461 1HE MET 60 1HE MET 60 6.380 0.543 -6.729 462 2HE MET 60 2HE MET 60 7.459 1.626 -7.604 463 3HE MET 60 3HE MET 60 7.384 1.702 -5.845 464 H ILE 61 H ILE 61 6.738 -3.452 -3.938 465 HA ILE 61 HA ILE 61 3.980 -2.705 -4.387 466 HB ILE 61 HB ILE 61 5.374 -5.371 -4.749 467 1HG1 ILE 61 2HG1 ILE 61 6.234 -3.639 -6.253 468 2HG1 ILE 61 1HG1 ILE 61 5.226 -4.762 -7.166 469 1HG2 ILE 61 1HG2 ILE 61 2.560 -4.435 -5.141 470 2HG2 ILE 61 2HG2 ILE 61 3.158 -6.012 -4.627 471 3HG2 ILE 61 3HG2 ILE 61 3.232 -5.553 -6.329 472 1HD1 ILE 61 1HD1 ILE 61 4.633 -2.508 -7.832 473 2HD1 ILE 61 2HD1 ILE 61 4.437 -2.015 -6.151 474 3HD1 ILE 61 3HD1 ILE 61 3.304 -3.158 -6.872 475 H ASP 62 H ASP 62 5.675 -5.051 -2.311 476 HA ASP 62 HA ASP 62 3.511 -6.216 -1.023 477 1HB ASP 62 2HB ASP 62 6.171 -6.483 -0.739 478 2HB ASP 62 1HB ASP 62 5.836 -5.511 0.694 479 H GLU 63 H GLU 63 4.998 -3.060 -0.461 480 HA GLU 63 HA GLU 63 3.681 -2.450 1.983 481 1HB GLU 63 2HB GLU 63 4.978 -0.766 -0.153 482 2HB GLU 63 1HB GLU 63 4.142 -0.025 1.211 483 1HG GLU 63 2HG GLU 63 5.589 -1.636 2.668 484 2HG GLU 63 1HG GLU 63 6.601 -1.761 1.229 485 H VAL 64 H VAL 64 2.952 -1.459 -1.386 486 HA VAL 64 HA VAL 64 0.489 -0.187 -0.706 487 HB VAL 64 HB VAL 64 1.688 0.415 -2.755 488 1HG1 VAL 64 1HG1 VAL 64 1.621 -1.157 -4.701 489 2HG1 VAL 64 2HG1 VAL 64 1.015 -2.411 -3.620 490 3HG1 VAL 64 3HG1 VAL 64 2.627 -1.736 -3.373 491 1HG2 VAL 64 1HG2 VAL 64 -0.856 -0.874 -3.707 492 2HG2 VAL 64 2HG2 VAL 64 -0.211 0.724 -4.087 493 3HG2 VAL 64 3HG2 VAL 64 -0.927 0.414 -2.505 494 H ASP 65 H ASP 65 1.353 -3.492 -1.519 495 HA ASP 65 HA ASP 65 -1.316 -4.391 -2.067 496 1HB ASP 65 2HB ASP 65 1.251 -5.483 -2.304 497 2HB ASP 65 1HB ASP 65 0.461 -6.467 -1.074 498 H GLU 66 H GLU 66 -2.839 -4.292 -0.557 499 HA GLU 66 HA GLU 66 -2.302 -4.287 2.258 500 1HB GLU 66 2HB GLU 66 -4.973 -4.755 0.915 501 2HB GLU 66 1HB GLU 66 -4.686 -4.162 2.552 502 1HG GLU 66 2HG GLU 66 -3.446 -2.204 1.486 503 2HG GLU 66 1HG GLU 66 -4.104 -2.747 -0.058 504 H ASP 67 H ASP 67 -3.663 -6.676 0.012 505 HA ASP 67 HA ASP 67 -3.920 -8.670 2.109 506 1HB ASP 67 2HB ASP 67 -4.570 -10.169 0.138 507 2HB ASP 67 1HB ASP 67 -5.639 -8.817 0.499 508 H GLY 68 H GLY 68 -1.786 -8.057 -0.659 509 1HA GLY 68 2HA GLY 68 0.356 -8.823 -1.081 510 2HA GLY 68 1HA GLY 68 0.354 -9.562 0.518 511 H SER 69 H SER 69 -1.723 -10.014 -2.332 512 HA SER 69 HA SER 69 -1.552 -12.910 -2.029 513 1HB SER 69 2HB SER 69 -3.257 -12.922 -3.855 514 2HB SER 69 1HB SER 69 -3.741 -11.984 -2.446 515 HG SER 69 HG SER 69 -3.698 -11.141 -4.881 516 H GLY 70 H GLY 70 0.644 -10.984 -3.296 517 1HA GLY 70 2HA GLY 70 2.333 -11.317 -4.837 518 2HA GLY 70 1HA GLY 70 1.647 -12.908 -5.161 519 H THR 71 H THR 71 -0.345 -10.072 -5.397 520 HA THR 71 HA THR 71 -0.022 -9.753 -8.270 521 HB THR 71 HB THR 71 -2.277 -10.305 -8.872 522 HG1 THR 71 HG1 THR 71 -3.630 -9.851 -7.322 523 1HG2 THR 71 1HG2 THR 71 -2.425 -12.697 -8.283 524 2HG2 THR 71 2HG2 THR 71 -1.223 -12.456 -7.014 525 3HG2 THR 71 3HG2 THR 71 -0.774 -12.246 -8.708 526 H VAL 72 H VAL 72 -0.908 -7.795 -9.026 527 HA VAL 72 HA VAL 72 -1.757 -5.960 -6.868 528 HB VAL 72 HB VAL 72 -0.667 -5.172 -9.572 529 1HG1 VAL 72 1HG1 VAL 72 -2.084 -3.541 -8.261 530 2HG1 VAL 72 2HG1 VAL 72 -0.439 -2.988 -8.571 531 3HG1 VAL 72 3HG1 VAL 72 -0.874 -3.615 -6.981 532 1HG2 VAL 72 1HG2 VAL 72 1.379 -4.568 -8.085 533 2HG2 VAL 72 2HG2 VAL 72 1.173 -6.254 -8.563 534 3HG2 VAL 72 3HG2 VAL 72 0.704 -5.732 -6.944 535 H ASP 73 H ASP 73 -3.771 -5.317 -6.840 536 HA ASP 73 HA ASP 73 -5.573 -5.877 -9.065 537 1HB ASP 73 2HB ASP 73 -6.047 -4.586 -6.357 538 2HB ASP 73 1HB ASP 73 -7.310 -4.945 -7.531 539 H PHE 74 H PHE 74 -6.997 -4.111 -9.919 540 HA PHE 74 HA PHE 74 -5.495 -1.924 -10.845 541 1HB PHE 74 2HB PHE 74 -7.660 -2.804 -11.853 542 2HB PHE 74 1HB PHE 74 -8.508 -1.891 -10.605 543 HD1 PHE 74 HD1 PHE 74 -5.418 -1.136 -12.574 544 HD2 PHE 74 HD2 PHE 74 -9.450 -0.005 -11.635 545 HE1 PHE 74 HE1 PHE 74 -5.155 0.928 -13.922 546 HE2 PHE 74 HE2 PHE 74 -9.187 2.058 -12.982 547 HZ PHE 74 HZ PHE 74 -7.040 2.525 -14.127 548 H ASP 75 H ASP 75 -7.456 -2.340 -7.962 549 HA ASP 75 HA ASP 75 -7.596 0.412 -7.206 550 1HB ASP 75 2HB ASP 75 -7.780 -2.117 -5.541 551 2HB ASP 75 1HB ASP 75 -8.113 -0.495 -4.933 552 H GLU 76 H GLU 76 -5.401 -2.275 -6.397 553 HA GLU 76 HA GLU 76 -3.711 -0.752 -4.654 554 1HB GLU 76 2HB GLU 76 -3.006 -3.263 -6.203 555 2HB GLU 76 1HB GLU 76 -2.166 -2.629 -4.789 556 1HG GLU 76 2HG GLU 76 -4.205 -2.959 -3.427 557 2HG GLU 76 1HG GLU 76 -5.046 -3.594 -4.839 558 H PHE 77 H PHE 77 -3.838 -1.363 -8.097 559 HA PHE 77 HA PHE 77 -1.251 -0.496 -8.838 560 1HB PHE 77 2HB PHE 77 -3.343 -1.644 -10.141 561 2HB PHE 77 1HB PHE 77 -3.508 0.014 -10.694 562 HD1 PHE 77 HD1 PHE 77 -3.065 -0.803 -12.967 563 HD2 PHE 77 HD2 PHE 77 -0.116 -1.151 -9.854 564 HE1 PHE 77 HE1 PHE 77 -1.311 -1.195 -14.661 565 HE2 PHE 77 HE2 PHE 77 1.635 -1.535 -11.560 566 HZ PHE 77 HZ PHE 77 1.034 -1.568 -13.965 567 H LEU 78 H LEU 78 -4.393 1.201 -8.844 568 HA LEU 78 HA LEU 78 -3.246 3.738 -9.553 569 1HB LEU 78 2HB LEU 78 -5.937 2.732 -8.807 570 2HB LEU 78 1HB LEU 78 -5.630 4.440 -8.553 571 HG LEU 78 HG LEU 78 -5.338 4.841 -10.865 572 1HD1 LEU 78 1HD1 LEU 78 -3.837 2.905 -11.294 573 2HD1 LEU 78 2HD1 LEU 78 -5.078 3.071 -12.534 574 3HD1 LEU 78 3HD1 LEU 78 -5.241 1.839 -11.281 575 1HD2 LEU 78 1HD2 LEU 78 -7.368 3.830 -11.894 576 2HD2 LEU 78 2HD2 LEU 78 -7.679 4.445 -10.270 577 3HD2 LEU 78 3HD2 LEU 78 -7.474 2.713 -10.532 578 H VAL 79 H VAL 79 -3.770 2.037 -6.564 579 HA VAL 79 HA VAL 79 -3.832 4.233 -4.773 580 HB VAL 79 HB VAL 79 -3.278 1.310 -4.555 581 1HG1 VAL 79 1HG1 VAL 79 -2.527 3.301 -2.393 582 2HG1 VAL 79 2HG1 VAL 79 -1.410 2.259 -3.277 583 3HG1 VAL 79 3HG1 VAL 79 -2.602 1.549 -2.185 584 1HG2 VAL 79 1HG2 VAL 79 -5.140 1.352 -3.142 585 2HG2 VAL 79 2HG2 VAL 79 -5.510 2.659 -4.267 586 3HG2 VAL 79 3HG2 VAL 79 -4.866 3.027 -2.667 587 H MET 80 H MET 80 -1.158 2.220 -5.997 588 HA MET 80 HA MET 80 1.012 3.234 -4.668 589 1HB MET 80 2HB MET 80 0.621 1.668 -6.944 590 2HB MET 80 1HB MET 80 1.607 3.019 -7.505 591 1HG MET 80 2HG MET 80 3.352 2.531 -6.025 592 2HG MET 80 1HG MET 80 2.302 1.625 -4.935 593 1HE MET 80 1HE MET 80 3.931 1.916 -8.307 594 2HE MET 80 2HE MET 80 2.417 1.273 -8.939 595 3HE MET 80 3HE MET 80 3.885 0.305 -9.034 596 H MET 81 H MET 81 -0.830 4.830 -7.233 597 HA MET 81 HA MET 81 1.041 6.896 -7.806 598 1HB MET 81 2HB MET 81 -1.866 6.459 -8.323 599 2HB MET 81 1HB MET 81 -1.251 8.105 -8.450 600 1HG MET 81 2HG MET 81 0.046 5.753 -9.827 601 2HG MET 81 1HG MET 81 -1.181 6.760 -10.595 602 1HE MET 81 1HE MET 81 1.912 6.347 -11.709 603 2HE MET 81 2HE MET 81 2.214 5.994 -10.008 604 3HE MET 81 3HE MET 81 3.109 7.288 -10.805 605 H VAL 82 H VAL 82 -1.935 6.945 -5.812 606 HA VAL 82 HA VAL 82 -1.461 9.535 -4.728 607 HB VAL 82 HB VAL 82 -3.192 8.958 -3.071 608 1HG1 VAL 82 1HG1 VAL 82 -4.999 8.399 -4.742 609 2HG1 VAL 82 2HG1 VAL 82 -3.729 8.136 -5.937 610 3HG1 VAL 82 3HG1 VAL 82 -3.954 9.735 -5.227 611 1HG2 VAL 82 1HG2 VAL 82 -3.257 6.228 -4.378 612 2HG2 VAL 82 2HG2 VAL 82 -4.178 6.770 -2.974 613 3HG2 VAL 82 3HG2 VAL 82 -2.433 6.544 -2.850 614 H ARG 83 H ARG 83 -0.411 6.329 -3.815 615 HA ARG 83 HA ARG 83 0.297 6.638 -1.148 616 1HB ARG 83 2HB ARG 83 1.536 5.055 -3.392 617 2HB ARG 83 1HB ARG 83 2.232 5.031 -1.773 618 1HG ARG 83 2HG ARG 83 -0.714 4.560 -2.099 619 2HG ARG 83 1HG ARG 83 0.407 3.247 -2.454 620 1HD ARG 83 2HD ARG 83 0.533 4.809 0.129 621 2HD ARG 83 1HD ARG 83 -0.480 3.386 -0.051 622 HE ARG 83 HE ARG 83 1.488 2.052 -0.296 623 1HH1 ARG 83 2HH1 ARG 83 2.168 5.430 0.344 624 2HH1 ARG 83 1HH1 ARG 83 3.796 5.130 0.838 625 1HH2 ARG 83 1HH2 ARG 83 3.626 1.702 0.355 626 2HH2 ARG 83 2HH2 ARG 83 4.620 3.032 0.845 627 H CYS 84 H CYS 84 1.988 7.715 -4.061 628 HA CYS 84 HA CYS 84 4.423 8.510 -2.860 629 1HB CYS 84 2HB CYS 84 2.989 9.359 -5.368 630 2HB CYS 84 1HB CYS 84 4.488 10.141 -4.869 631 HG CYS 84 HG CYS 84 4.243 7.125 -5.646 632 H MET 85 H MET 85 1.355 10.221 -3.385 633 HA MET 85 HA MET 85 2.209 12.767 -2.471 634 1HB MET 85 2HB MET 85 -0.052 11.911 -3.661 635 2HB MET 85 1HB MET 85 -0.616 11.968 -1.992 636 1HG MET 85 2HG MET 85 0.947 14.299 -3.026 637 2HG MET 85 1HG MET 85 -0.726 14.122 -3.551 638 1HE MET 85 1HE MET 85 -2.356 15.178 -2.667 639 2HE MET 85 2HE MET 85 -2.757 15.513 -0.985 640 3HE MET 85 3HE MET 85 -2.847 13.862 -1.592 641 H LYS 86 H LYS 86 0.071 10.427 -0.783 642 HA LYS 86 HA LYS 86 -0.135 9.864 1.435 643 1HB LYS 86 2HB LYS 86 2.410 9.617 1.176 644 2HB LYS 86 1HB LYS 86 2.523 11.192 1.960 645 1HG LYS 86 2HG LYS 86 2.016 10.337 3.995 646 2HG LYS 86 1HG LYS 86 0.716 9.340 3.347 647 1HD LYS 86 2HD LYS 86 2.396 7.720 2.507 648 2HD LYS 86 1HD LYS 86 3.677 8.704 3.216 649 1HE LYS 86 2HE LYS 86 2.274 8.458 5.422 650 2HE LYS 86 1HE LYS 86 1.568 7.068 4.598 651 1HZ LYS 86 1HZ LYS 86 4.451 7.528 5.142 652 2HZ LYS 86 2HZ LYS 86 3.840 6.238 4.218 653 3HZ LYS 86 3HZ LYS 86 3.456 6.361 5.869 654 H ASP 87 H ASP 87 -0.689 10.750 3.496 655 HA ASP 87 HA ASP 87 -0.958 13.701 3.500 656 1HB ASP 87 2HB ASP 87 -3.011 11.794 3.482 657 2HB ASP 87 1HB ASP 87 -2.927 12.357 5.150 658 H ASP 88 H ASP 88 1.228 12.148 4.635 659 HA ASP 88 HA ASP 88 2.504 12.046 6.533 660 1HB ASP 88 2HB ASP 88 0.580 14.178 7.503 661 2HB ASP 88 1HB ASP 88 2.110 13.758 8.272 662 H SER 89 HN SER 89 1.996 9.933 7.085 663 HA SER 89 HA SER 89 -0.222 9.506 8.978 664 1HB SER 89 2HB SER 89 1.505 7.540 7.456 665 2HB SER 89 1HB SER 89 0.256 7.082 8.611 666 HG SER 89 HG SER 89 -0.818 7.119 6.738 Start of MODEL 17 1 1H MET 1 1H MET 1 -5.929 5.131 11.062 2 2H MET 1 2H MET 1 -6.368 3.754 10.168 3 3H MET 1 3H MET 1 -7.273 4.208 11.531 4 HA MET 1 HA MET 1 -8.400 4.785 9.448 5 1HB MET 1 2HB MET 1 -8.324 6.202 11.719 6 2HB MET 1 1HB MET 1 -7.583 7.397 10.656 7 1HG MET 1 2HG MET 1 -9.599 6.790 9.064 8 2HG MET 1 1HG MET 1 -10.347 6.234 10.560 9 1HE MET 1 1HE MET 1 -11.079 7.492 12.403 10 2HE MET 1 2HE MET 1 -10.825 9.201 12.747 11 3HE MET 1 3HE MET 1 -9.470 8.078 12.854 12 H ASN 2 H ASN 2 -6.498 4.160 7.931 13 HA ASN 2 HA ASN 2 -5.095 6.528 6.892 14 1HB ASN 2 2HB ASN 2 -4.706 3.570 6.581 15 2HB ASN 2 1HB ASN 2 -4.067 4.665 5.355 16 1HD2 ASN 2 1HD2 ASN 2 -2.869 6.693 6.479 17 2HD2 ASN 2 2HD2 ASN 2 -1.811 6.270 7.736 18 H ASP 3 H ASP 3 -7.471 7.123 6.339 19 HA ASP 3 HA ASP 3 -8.351 5.953 3.797 20 1HB ASP 3 2HB ASP 3 -10.405 7.215 4.132 21 2HB ASP 3 1HB ASP 3 -10.016 6.322 5.601 22 H ILE 4 H ILE 4 -6.113 8.190 4.553 23 HA ILE 4 HA ILE 4 -6.865 10.455 3.010 24 HB ILE 4 HB ILE 4 -4.480 11.078 3.082 25 1HG1 ILE 4 2HG1 ILE 4 -3.219 9.296 4.723 26 2HG1 ILE 4 1HG1 ILE 4 -4.205 8.201 3.754 27 1HG2 ILE 4 1HG2 ILE 4 -5.378 9.944 5.742 28 2HG2 ILE 4 2HG2 ILE 4 -6.037 11.420 5.039 29 3HG2 ILE 4 3HG2 ILE 4 -4.330 11.337 5.471 30 1HD1 ILE 4 1HD1 ILE 4 -2.592 10.377 2.437 31 2HD1 ILE 4 2HD1 ILE 4 -3.193 8.875 1.739 32 3HD1 ILE 4 3HD1 ILE 4 -1.842 8.841 2.871 33 H TYR 5 H TYR 5 -5.336 7.400 2.211 34 HA TYR 5 HA TYR 5 -4.449 8.132 -0.414 35 1HB TYR 5 2HB TYR 5 -5.053 5.407 0.773 36 2HB TYR 5 1HB TYR 5 -4.273 5.675 -0.787 37 HD1 TYR 5 HD1 TYR 5 -2.011 6.657 -0.919 38 HD2 TYR 5 HD2 TYR 5 -3.885 5.836 2.860 39 HE1 TYR 5 HE1 TYR 5 0.173 6.932 0.225 40 HE2 TYR 5 HE2 TYR 5 -1.702 6.107 4.003 41 HH TYR 5 HH TYR 5 0.737 7.629 2.971 42 H LYS 6 H LYS 6 -7.437 6.915 0.962 43 HA LYS 6 HA LYS 6 -8.703 6.175 -1.491 44 1HB LYS 6 2HB LYS 6 -9.717 6.748 1.288 45 2HB LYS 6 1HB LYS 6 -10.823 6.415 -0.045 46 1HG LYS 6 2HG LYS 6 -9.296 4.335 -0.463 47 2HG LYS 6 1HG LYS 6 -8.763 4.604 1.197 48 1HD LYS 6 2HD LYS 6 -11.704 4.557 0.586 49 2HD LYS 6 1HD LYS 6 -10.826 3.034 0.723 50 1HE LYS 6 2HE LYS 6 -10.368 3.338 2.974 51 2HE LYS 6 1HE LYS 6 -10.421 5.097 2.856 52 1HZ LYS 6 1HZ LYS 6 -12.803 5.001 2.617 53 2HZ LYS 6 2HZ LYS 6 -12.344 4.177 4.031 54 3HZ LYS 6 3HZ LYS 6 -12.781 3.305 2.639 55 H ALA 7 H ALA 7 -8.295 9.200 0.223 56 HA ALA 7 HA ALA 7 -10.442 10.644 -0.931 57 1HB ALA 7 1HB ALA 7 -9.355 11.566 0.996 58 2HB ALA 7 2HB ALA 7 -9.046 12.666 -0.347 59 3HB ALA 7 3HB ALA 7 -7.787 11.554 0.192 60 H ALA 8 H ALA 8 -7.185 9.894 -2.073 61 HA ALA 8 HA ALA 8 -7.235 11.776 -4.255 62 1HB ALA 8 1HB ALA 8 -5.481 9.388 -4.399 63 2HB ALA 8 2HB ALA 8 -5.218 10.487 -3.045 64 3HB ALA 8 3HB ALA 8 -5.103 11.084 -4.701 65 H VAL 9 H VAL 9 -7.714 8.251 -3.963 66 HA VAL 9 HA VAL 9 -8.166 7.791 -6.730 67 HB VAL 9 HB VAL 9 -7.615 6.026 -5.014 68 1HG1 VAL 9 1HG1 VAL 9 -9.140 6.632 -3.246 69 2HG1 VAL 9 2HG1 VAL 9 -9.593 5.030 -3.827 70 3HG1 VAL 9 3HG1 VAL 9 -10.532 6.442 -4.312 71 1HG2 VAL 9 1HG2 VAL 9 -10.161 5.298 -6.452 72 2HG2 VAL 9 2HG2 VAL 9 -8.700 4.335 -6.236 73 3HG2 VAL 9 3HG2 VAL 9 -8.703 5.689 -7.366 74 H GLU 10 H GLU 10 -10.148 9.135 -4.232 75 HA GLU 10 HA GLU 10 -12.668 8.623 -5.561 76 1HB GLU 10 2HB GLU 10 -11.858 10.219 -3.136 77 2HB GLU 10 1HB GLU 10 -13.490 10.313 -3.799 78 1HG GLU 10 2HG GLU 10 -12.289 7.609 -3.307 79 2HG GLU 10 1HG GLU 10 -12.907 8.526 -1.934 80 H GLN 11 H GLN 11 -10.161 10.995 -5.788 81 HA GLN 11 HA GLN 11 -11.924 12.632 -7.507 82 1HB GLN 11 2HB GLN 11 -10.888 14.682 -6.678 83 2HB GLN 11 1HB GLN 11 -11.632 13.796 -5.348 84 1HG GLN 11 2HG GLN 11 -9.272 12.732 -5.039 85 2HG GLN 11 1HG GLN 11 -8.706 14.089 -6.011 86 1HE2 GLN 11 1HE2 GLN 11 -10.980 13.612 -3.227 87 2HE2 GLN 11 2HE2 GLN 11 -10.423 14.964 -2.367 88 H LEU 12 H LEU 12 -9.936 10.530 -8.132 89 HA LEU 12 HA LEU 12 -7.581 11.823 -9.159 90 1HB LEU 12 2HB LEU 12 -7.460 9.619 -10.543 91 2HB LEU 12 1HB LEU 12 -7.148 9.599 -8.824 92 HG LEU 12 HG LEU 12 -9.282 8.609 -8.372 93 1HD1 LEU 12 1HD1 LEU 12 -10.801 8.059 -10.367 94 2HD1 LEU 12 2HD1 LEU 12 -9.858 9.245 -11.271 95 3HD1 LEU 12 3HD1 LEU 12 -10.768 9.743 -9.843 96 1HD2 LEU 12 1HD2 LEU 12 -9.055 6.507 -9.544 97 2HD2 LEU 12 2HD2 LEU 12 -7.435 7.155 -9.288 98 3HD2 LEU 12 3HD2 LEU 12 -8.196 7.285 -10.873 99 H THR 13 H THR 13 -7.104 11.262 -11.646 100 HA THR 13 HA THR 13 -9.202 12.684 -13.146 101 HB THR 13 HB THR 13 -7.090 12.513 -14.868 102 HG1 THR 13 HG1 THR 13 -5.655 11.626 -13.478 103 1HG2 THR 13 1HG2 THR 13 -7.943 14.628 -14.636 104 2HG2 THR 13 2HG2 THR 13 -6.490 14.822 -13.655 105 3HG2 THR 13 3HG2 THR 13 -8.043 14.512 -12.879 106 H ASP 14 H ASP 14 -9.384 12.051 -15.491 107 HA ASP 14 HA ASP 14 -10.113 9.279 -15.675 108 1HB ASP 14 2HB ASP 14 -10.108 11.598 -17.588 109 2HB ASP 14 1HB ASP 14 -10.379 9.960 -18.181 110 H GLU 15 H GLU 15 -7.397 11.263 -16.659 111 HA GLU 15 HA GLU 15 -6.156 9.479 -18.461 112 1HB GLU 15 2HB GLU 15 -4.179 10.817 -18.197 113 2HB GLU 15 1HB GLU 15 -5.560 11.909 -18.133 114 1HG GLU 15 2HG GLU 15 -5.431 11.560 -15.556 115 2HG GLU 15 1HG GLU 15 -3.801 10.970 -15.875 116 H GLN 16 H GLN 16 -6.003 9.795 -14.929 117 HA GLN 16 HA GLN 16 -3.878 8.016 -14.416 118 1HB GLN 16 2HB GLN 16 -6.106 9.180 -12.863 119 2HB GLN 16 1HB GLN 16 -5.498 7.642 -12.252 120 1HG GLN 16 2HG GLN 16 -3.142 8.727 -12.600 121 2HG GLN 16 1HG GLN 16 -4.036 10.247 -12.591 122 1HE2 GLN 16 1HE2 GLN 16 -5.118 10.881 -10.585 123 2HE2 GLN 16 2HE2 GLN 16 -4.760 10.112 -9.114 124 H LYS 17 H LYS 17 -7.323 7.474 -14.923 125 HA LYS 17 HA LYS 17 -7.322 4.683 -14.295 126 1HB LYS 17 2HB LYS 17 -9.268 6.237 -16.023 127 2HB LYS 17 1HB LYS 17 -9.540 4.643 -15.323 128 1HG LYS 17 2HG LYS 17 -9.019 7.164 -13.718 129 2HG LYS 17 1HG LYS 17 -10.610 6.457 -13.994 130 1HD LYS 17 2HD LYS 17 -9.192 4.292 -13.082 131 2HD LYS 17 1HD LYS 17 -8.471 5.610 -12.159 132 1HE LYS 17 2HE LYS 17 -10.648 6.299 -11.334 133 2HE LYS 17 1HE LYS 17 -11.456 5.128 -12.375 134 1HZ LYS 17 1HZ LYS 17 -9.641 4.541 -10.100 135 2HZ LYS 17 2HZ LYS 17 -10.223 3.364 -11.178 136 3HZ LYS 17 3HZ LYS 17 -11.304 4.223 -10.188 137 H ASN 18 H ASN 18 -6.066 6.397 -16.949 138 HA ASN 18 HA ASN 18 -6.297 4.049 -18.723 139 1HB ASN 18 2HB ASN 18 -6.060 6.990 -19.226 140 2HB ASN 18 1HB ASN 18 -5.402 5.869 -20.419 141 1HD2 ASN 18 1HD2 ASN 18 -8.090 7.628 -19.988 142 2HD2 ASN 18 2HD2 ASN 18 -9.268 6.571 -20.604 143 H GLU 19 H GLU 19 -4.024 6.178 -17.080 144 HA GLU 19 HA GLU 19 -1.663 5.516 -18.490 145 1HB GLU 19 2HB GLU 19 -1.740 6.024 -15.510 146 2HB GLU 19 1HB GLU 19 -0.422 6.349 -16.633 147 1HG GLU 19 2HG GLU 19 -2.499 7.796 -17.726 148 2HG GLU 19 1HG GLU 19 -2.779 7.967 -15.992 149 H PHE 20 H PHE 20 -3.018 4.142 -15.507 150 HA PHE 20 HA PHE 20 -1.086 1.992 -15.450 151 1HB PHE 20 2HB PHE 20 -3.434 2.786 -13.760 152 2HB PHE 20 1HB PHE 20 -2.690 1.202 -13.565 153 HD1 PHE 20 HD1 PHE 20 -2.176 4.849 -13.275 154 HD2 PHE 20 HD2 PHE 20 -0.424 0.963 -12.696 155 HE1 PHE 20 HE1 PHE 20 -0.383 5.854 -11.895 156 HE2 PHE 20 HE2 PHE 20 1.363 1.972 -11.314 157 HZ PHE 20 HZ PHE 20 1.387 4.422 -10.913 158 H LYS 21 H LYS 21 -4.527 2.348 -16.294 159 HA LYS 21 HA LYS 21 -5.192 -0.367 -16.496 160 1HB LYS 21 2HB LYS 21 -6.867 1.423 -16.602 161 2HB LYS 21 1HB LYS 21 -6.249 1.916 -18.175 162 1HG LYS 21 2HG LYS 21 -6.899 -0.957 -17.965 163 2HG LYS 21 1HG LYS 21 -8.288 0.117 -17.804 164 1HD LYS 21 2HD LYS 21 -6.363 0.730 -19.996 165 2HD LYS 21 1HD LYS 21 -7.379 -0.697 -20.202 166 1HE LYS 21 2HE LYS 21 -8.649 1.866 -19.296 167 2HE LYS 21 1HE LYS 21 -8.239 1.672 -20.999 168 1HZ LYS 21 1HZ LYS 21 -10.482 0.920 -20.566 169 2HZ LYS 21 2HZ LYS 21 -9.924 -0.173 -19.391 170 3HZ LYS 21 3HZ LYS 21 -9.510 -0.392 -21.023 171 H ALA 22 H ALA 22 -3.631 1.774 -18.859 172 HA ALA 22 HA ALA 22 -3.723 0.088 -21.106 173 1HB ALA 22 1HB ALA 22 -1.514 2.002 -20.316 174 2HB ALA 22 2HB ALA 22 -2.974 2.448 -21.200 175 3HB ALA 22 3HB ALA 22 -1.796 1.358 -21.934 176 H ALA 23 H ALA 23 -1.339 0.314 -18.491 177 HA ALA 23 HA ALA 23 0.293 -1.829 -19.531 178 1HB ALA 23 1HB ALA 23 0.803 0.203 -17.806 179 2HB ALA 23 2HB ALA 23 1.766 -1.273 -17.881 180 3HB ALA 23 3HB ALA 23 0.496 -1.108 -16.667 181 H PHE 24 H PHE 24 -2.373 -1.430 -17.322 182 HA PHE 24 HA PHE 24 -2.196 -3.855 -15.895 183 1HB PHE 24 2HB PHE 24 -3.688 -1.824 -15.408 184 2HB PHE 24 1HB PHE 24 -4.793 -2.493 -16.606 185 HD1 PHE 24 HD1 PHE 24 -5.591 -4.922 -16.289 186 HD2 PHE 24 HD2 PHE 24 -3.666 -2.652 -13.194 187 HE1 PHE 24 HE1 PHE 24 -6.485 -6.481 -14.586 188 HE2 PHE 24 HE2 PHE 24 -4.560 -4.211 -11.494 189 HZ PHE 24 HZ PHE 24 -5.976 -6.115 -12.187 190 H ASP 25 H ASP 25 -3.862 -3.047 -18.969 191 HA ASP 25 HA ASP 25 -5.074 -5.629 -19.200 192 1HB ASP 25 2HB ASP 25 -5.578 -4.999 -21.530 193 2HB ASP 25 1HB ASP 25 -6.061 -3.763 -20.382 194 H ILE 26 H ILE 26 -1.940 -4.377 -20.169 195 HA ILE 26 HA ILE 26 -1.393 -6.646 -21.895 196 HB ILE 26 HB ILE 26 0.921 -5.700 -22.019 197 1HG1 ILE 26 2HG1 ILE 26 -0.258 -3.425 -20.393 198 2HG1 ILE 26 1HG1 ILE 26 0.838 -4.633 -19.730 199 1HG2 ILE 26 1HG2 ILE 26 0.264 -4.133 -23.586 200 2HG2 ILE 26 2HG2 ILE 26 -0.972 -3.442 -22.534 201 3HG2 ILE 26 3HG2 ILE 26 -1.266 -4.979 -23.352 202 1HD1 ILE 26 1HD1 ILE 26 2.656 -3.716 -20.734 203 2HD1 ILE 26 2HD1 ILE 26 1.647 -2.273 -20.845 204 3HD1 ILE 26 3HD1 ILE 26 1.778 -3.365 -22.224 205 H PHE 27 H PHE 27 -0.532 -5.635 -18.597 206 HA PHE 27 HA PHE 27 1.314 -7.779 -18.159 207 1HB PHE 27 2HB PHE 27 -0.154 -5.972 -16.228 208 2HB PHE 27 1HB PHE 27 1.004 -7.198 -15.717 209 HD1 PHE 27 HD1 PHE 27 3.084 -7.077 -17.785 210 HD2 PHE 27 HD2 PHE 27 0.889 -3.890 -15.919 211 HE1 PHE 27 HE1 PHE 27 4.933 -5.509 -18.287 212 HE2 PHE 27 HE2 PHE 27 2.739 -2.325 -16.426 213 HZ PHE 27 HZ PHE 27 4.763 -3.132 -17.608 214 H ILE 28 H ILE 28 -2.174 -7.379 -17.573 215 HA ILE 28 HA ILE 28 -2.322 -10.040 -16.353 216 HB ILE 28 HB ILE 28 -4.636 -9.584 -15.894 217 1HG1 ILE 28 2HG1 ILE 28 -5.311 -7.080 -16.704 218 2HG1 ILE 28 1HG1 ILE 28 -4.283 -7.568 -18.051 219 1HG2 ILE 28 1HG2 ILE 28 -4.430 -7.691 -14.460 220 2HG2 ILE 28 2HG2 ILE 28 -3.194 -6.960 -15.484 221 3HG2 ILE 28 3HG2 ILE 28 -2.821 -8.408 -14.551 222 1HD1 ILE 28 1HD1 ILE 28 -5.706 -9.271 -18.700 223 2HD1 ILE 28 2HD1 ILE 28 -6.883 -8.144 -18.025 224 3HD1 ILE 28 3HD1 ILE 28 -6.326 -9.518 -17.068 225 H GLN 29 H GLN 29 -1.871 -9.211 -19.400 226 HA GLN 29 HA GLN 29 -3.914 -10.145 -21.009 227 1HB GLN 29 2HB GLN 29 -1.890 -9.143 -21.926 228 2HB GLN 29 1HB GLN 29 -0.929 -10.514 -21.370 229 1HG GLN 29 2HG GLN 29 -2.112 -12.021 -22.857 230 2HG GLN 29 1HG GLN 29 -3.231 -10.740 -23.328 231 1HE2 GLN 29 1HE2 GLN 29 -2.036 -8.691 -24.268 232 2HE2 GLN 29 2HE2 GLN 29 -0.727 -9.003 -25.302 233 H ASP 30 H ASP 30 -1.451 -12.017 -19.279 234 HA ASP 30 HA ASP 30 -2.675 -14.531 -20.211 235 1HB ASP 30 2HB ASP 30 -0.068 -14.045 -18.750 236 2HB ASP 30 1HB ASP 30 -0.650 -15.614 -19.305 237 H ALA 31 H ALA 31 -3.536 -12.564 -17.898 238 HA ALA 31 HA ALA 31 -3.562 -14.493 -15.677 239 1HB ALA 31 1HB ALA 31 -4.630 -11.675 -15.588 240 2HB ALA 31 2HB ALA 31 -2.918 -12.029 -15.345 241 3HB ALA 31 3HB ALA 31 -4.124 -12.700 -14.244 242 H GLU 32 H GLU 32 -5.500 -15.057 -14.639 243 HA GLU 32 HA GLU 32 -7.965 -14.616 -16.220 244 1HB GLU 32 2HB GLU 32 -7.103 -17.202 -14.889 245 2HB GLU 32 1HB GLU 32 -8.641 -16.934 -15.711 246 1HG GLU 32 2HG GLU 32 -7.387 -16.399 -17.805 247 2HG GLU 32 1HG GLU 32 -5.885 -16.800 -16.973 248 H ASP 33 H ASP 33 -7.233 -13.014 -14.068 249 HA ASP 33 HA ASP 33 -9.331 -13.706 -12.120 250 1HB ASP 33 2HB ASP 33 -6.445 -13.170 -11.524 251 2HB ASP 33 1HB ASP 33 -7.677 -12.667 -10.367 252 H GLY 34 H GLY 34 -7.013 -11.205 -13.140 253 1HA GLY 34 2HA GLY 34 -8.000 -9.092 -14.006 254 2HA GLY 34 1HA GLY 34 -9.099 -9.157 -12.629 255 H CYS 35 H CYS 35 -5.626 -9.847 -12.738 256 HA CYS 35 HA CYS 35 -4.894 -7.369 -11.424 257 1HB CYS 35 2HB CYS 35 -3.850 -8.637 -9.474 258 2HB CYS 35 1HB CYS 35 -5.605 -8.477 -9.443 259 HG CYS 35 HG CYS 35 -4.221 -11.104 -10.441 260 H ILE 36 H ILE 36 -2.670 -6.976 -11.508 261 HA ILE 36 HA ILE 36 -1.230 -8.634 -13.425 262 HB ILE 36 HB ILE 36 0.399 -6.902 -13.534 263 1HG1 ILE 36 2HG1 ILE 36 -0.261 -4.919 -11.716 264 2HG1 ILE 36 1HG1 ILE 36 -0.474 -6.395 -10.776 265 1HG2 ILE 36 1HG2 ILE 36 -2.377 -5.759 -13.137 266 2HG2 ILE 36 2HG2 ILE 36 -1.616 -6.236 -14.655 267 3HG2 ILE 36 3HG2 ILE 36 -1.028 -4.822 -13.780 268 1HD1 ILE 36 1HD1 ILE 36 1.932 -6.581 -12.372 269 2HD1 ILE 36 2HD1 ILE 36 1.756 -6.683 -10.619 270 3HD1 ILE 36 3HD1 ILE 36 1.963 -5.113 -11.397 271 H SER 37 H SER 37 1.202 -8.981 -12.918 272 HA SER 37 HA SER 37 1.309 -10.478 -10.404 273 1HB SER 37 2HB SER 37 2.055 -11.543 -12.537 274 2HB SER 37 1HB SER 37 3.350 -10.354 -12.636 275 HG SER 37 HG SER 37 4.385 -11.751 -11.444 276 H THR 38 H THR 38 2.000 -9.472 -8.653 277 HA THR 38 HA THR 38 3.337 -7.017 -8.515 278 HB THR 38 HB THR 38 3.872 -7.623 -6.175 279 HG1 THR 38 HG1 THR 38 4.324 -9.704 -6.092 280 1HG2 THR 38 1HG2 THR 38 1.453 -8.301 -5.548 281 2HG2 THR 38 2HG2 THR 38 1.141 -8.230 -7.282 282 3HG2 THR 38 3HG2 THR 38 1.685 -6.790 -6.425 283 H LYS 39 H LYS 39 4.572 -10.306 -8.735 284 HA LYS 39 HA LYS 39 7.301 -9.788 -8.179 285 1HB LYS 39 2HB LYS 39 6.216 -11.881 -10.084 286 2HB LYS 39 1HB LYS 39 7.774 -11.906 -9.257 287 1HG LYS 39 2HG LYS 39 6.844 -12.484 -7.228 288 2HG LYS 39 1HG LYS 39 5.330 -11.649 -7.566 289 1HD LYS 39 2HD LYS 39 4.691 -13.895 -7.711 290 2HD LYS 39 1HD LYS 39 5.012 -13.490 -9.396 291 1HE LYS 39 2HE LYS 39 6.970 -14.720 -9.466 292 2HE LYS 39 1HE LYS 39 7.287 -14.511 -7.744 293 1HZ LYS 39 1HZ LYS 39 5.094 -16.182 -8.848 294 2HZ LYS 39 2HZ LYS 39 5.567 -16.063 -7.221 295 3HZ LYS 39 3HZ LYS 39 6.601 -16.787 -8.358 296 H GLU 40 H GLU 40 5.336 -9.396 -11.056 297 HA GLU 40 HA GLU 40 7.667 -8.732 -12.706 298 1HB GLU 40 2HB GLU 40 4.730 -8.979 -13.384 299 2HB GLU 40 1HB GLU 40 5.987 -8.547 -14.542 300 1HG GLU 40 2HG GLU 40 7.087 -10.780 -13.441 301 2HG GLU 40 1HG GLU 40 5.372 -11.173 -13.316 302 H LEU 41 H LEU 41 6.291 -6.976 -10.437 303 HA LEU 41 HA LEU 41 5.221 -4.668 -11.634 304 1HB LEU 41 2HB LEU 41 5.955 -5.436 -9.034 305 2HB LEU 41 1HB LEU 41 6.864 -3.983 -9.363 306 HG LEU 41 HG LEU 41 4.814 -3.375 -8.260 307 1HD1 LEU 41 1HD1 LEU 41 5.657 -2.110 -10.403 308 2HD1 LEU 41 2HD1 LEU 41 4.085 -1.701 -9.712 309 3HD1 LEU 41 3HD1 LEU 41 4.181 -2.749 -11.128 310 1HD2 LEU 41 1HD2 LEU 41 3.271 -5.080 -8.546 311 2HD2 LEU 41 2HD2 LEU 41 3.622 -5.253 -10.265 312 3HD2 LEU 41 3HD2 LEU 41 2.643 -3.899 -9.697 313 H GLY 42 H GLY 42 8.512 -5.818 -11.489 314 1HA GLY 42 2HA GLY 42 9.957 -3.434 -11.788 315 2HA GLY 42 1HA GLY 42 10.464 -5.004 -12.407 316 H LYS 43 H LYS 43 8.448 -5.546 -14.235 317 HA LYS 43 HA LYS 43 9.245 -3.972 -16.496 318 1HB LYS 43 2HB LYS 43 6.970 -5.962 -16.218 319 2HB LYS 43 1HB LYS 43 7.567 -5.301 -17.738 320 1HG LYS 43 2HG LYS 43 9.624 -6.434 -17.570 321 2HG LYS 43 1HG LYS 43 9.443 -6.694 -15.834 322 1HD LYS 43 2HD LYS 43 7.898 -8.432 -16.121 323 2HD LYS 43 1HD LYS 43 7.457 -7.901 -17.744 324 1HE LYS 43 2HE LYS 43 8.816 -9.678 -18.305 325 2HE LYS 43 1HE LYS 43 10.041 -8.414 -18.206 326 1HZ LYS 43 1HZ LYS 43 9.286 -10.230 -15.979 327 2HZ LYS 43 2HZ LYS 43 10.519 -9.061 -15.950 328 3HZ LYS 43 3HZ LYS 43 10.654 -10.418 -16.963 329 H VAL 44 H VAL 44 6.635 -3.867 -14.209 330 HA VAL 44 HA VAL 44 4.837 -2.225 -15.708 331 HB VAL 44 HB VAL 44 5.009 -2.489 -12.700 332 1HG1 VAL 44 1HG1 VAL 44 3.097 -1.342 -14.649 333 2HG1 VAL 44 2HG1 VAL 44 3.394 -0.901 -12.967 334 3HG1 VAL 44 3HG1 VAL 44 2.387 -2.296 -13.349 335 1HG2 VAL 44 1HG2 VAL 44 3.263 -4.171 -14.501 336 2HG2 VAL 44 2HG2 VAL 44 3.669 -4.438 -12.808 337 3HG2 VAL 44 3HG2 VAL 44 4.886 -4.698 -14.056 338 H MET 45 H MET 45 7.107 -1.593 -13.031 339 HA MET 45 HA MET 45 6.752 1.180 -12.865 340 1HB MET 45 2HB MET 45 8.972 -0.686 -12.118 341 2HB MET 45 1HB MET 45 9.285 1.050 -12.103 342 1HG MET 45 2HG MET 45 6.856 -0.115 -10.742 343 2HG MET 45 1HG MET 45 8.413 -0.017 -9.918 344 1HE MET 45 1HE MET 45 5.839 1.237 -8.858 345 2HE MET 45 2HE MET 45 5.158 1.628 -10.436 346 3HE MET 45 3HE MET 45 5.476 2.916 -9.276 347 H ARG 46 H ARG 46 8.861 -0.768 -14.949 348 HA ARG 46 HA ARG 46 10.347 1.360 -16.083 349 1HB ARG 46 2HB ARG 46 9.608 -1.356 -17.186 350 2HB ARG 46 1HB ARG 46 10.708 -0.239 -17.996 351 1HG ARG 46 2HG ARG 46 12.235 -0.273 -16.135 352 2HG ARG 46 1HG ARG 46 11.088 -1.177 -15.147 353 1HD ARG 46 2HD ARG 46 11.544 -3.165 -16.185 354 2HD ARG 46 1HD ARG 46 11.824 -2.406 -17.748 355 HE ARG 46 HE ARG 46 13.804 -2.961 -15.718 356 1HH1 ARG 46 2HH1 ARG 46 12.957 -0.922 -18.428 357 2HH1 ARG 46 1HH1 ARG 46 14.598 -0.510 -18.791 358 1HH2 ARG 46 1HH2 ARG 46 15.946 -2.403 -16.214 359 2HH2 ARG 46 2HH2 ARG 46 16.285 -1.346 -17.543 360 H MET 47 H MET 47 7.209 -0.039 -16.876 361 HA MET 47 HA MET 47 6.814 1.394 -19.324 362 1HB MET 47 2HB MET 47 5.007 -0.090 -17.434 363 2HB MET 47 1HB MET 47 4.314 0.905 -18.714 364 1HG MET 47 2HG MET 47 6.463 -1.131 -19.303 365 2HG MET 47 1HG MET 47 4.760 -1.584 -19.251 366 1HE MET 47 1HE MET 47 7.166 0.603 -22.306 367 2HE MET 47 2HE MET 47 7.173 -1.143 -22.072 368 3HE MET 47 3HE MET 47 7.597 -0.081 -20.734 369 H LEU 48 H LEU 48 6.157 2.040 -15.924 370 HA LEU 48 HA LEU 48 4.576 4.399 -16.320 371 1HB LEU 48 2HB LEU 48 5.948 3.089 -14.019 372 2HB LEU 48 1HB LEU 48 5.496 4.770 -13.856 373 HG LEU 48 HG LEU 48 3.149 4.214 -14.177 374 1HD1 LEU 48 1HD1 LEU 48 3.690 2.273 -15.771 375 2HD1 LEU 48 2HD1 LEU 48 2.367 2.010 -14.636 376 3HD1 LEU 48 3HD1 LEU 48 3.950 1.301 -14.323 377 1HD2 LEU 48 1HD2 LEU 48 4.825 2.946 -12.104 378 2HD2 LEU 48 2HD2 LEU 48 3.222 2.229 -12.275 379 3HD2 LEU 48 3HD2 LEU 48 3.386 3.952 -11.928 380 H GLY 49 H GLY 49 8.000 3.706 -15.990 381 1HA GLY 49 2HA GLY 49 9.459 5.349 -17.201 382 2HA GLY 49 1HA GLY 49 8.620 6.591 -16.281 383 H GLN 50 H GLN 50 9.431 3.537 -14.762 384 HA GLN 50 HA GLN 50 11.758 4.753 -13.413 385 1HB GLN 50 2HB GLN 50 9.767 3.101 -11.867 386 2HB GLN 50 1HB GLN 50 11.009 4.188 -11.254 387 1HG GLN 50 2HG GLN 50 8.642 5.155 -12.880 388 2HG GLN 50 1HG GLN 50 8.623 5.067 -11.120 389 1HE2 GLN 50 1HE2 GLN 50 8.679 7.458 -13.103 390 2HE2 GLN 50 2HE2 GLN 50 9.950 8.421 -12.521 391 H ASN 51 H ASN 51 13.381 3.324 -12.878 392 HA ASN 51 HA ASN 51 12.936 0.491 -13.627 393 1HB ASN 51 2HB ASN 51 15.413 0.515 -14.295 394 2HB ASN 51 1HB ASN 51 14.288 1.325 -15.382 395 1HD2 ASN 51 1HD2 ASN 51 14.226 3.743 -15.285 396 2HD2 ASN 51 2HD2 ASN 51 15.573 4.592 -14.698 397 HA PRO 52 HA PRO 52 14.579 0.681 -9.316 398 1HB PRO 52 2HB PRO 52 12.616 -0.848 -8.187 399 2HB PRO 52 1HB PRO 52 12.487 0.902 -8.413 400 1HG PRO 52 2HG PRO 52 11.153 -1.287 -9.878 401 2HG PRO 52 1HG PRO 52 10.639 0.390 -9.645 402 1HD PRO 52 2HD PRO 52 11.845 -0.712 -11.983 403 2HD PRO 52 1HD PRO 52 11.521 1.006 -11.660 404 H THR 53 H THR 53 14.296 -1.561 -7.718 405 HA THR 53 HA THR 53 15.678 -3.673 -9.275 406 HB THR 53 HB THR 53 17.006 -4.142 -7.408 407 HG1 THR 53 HG1 THR 53 16.324 -3.212 -5.298 408 1HG2 THR 53 1HG2 THR 53 16.361 -1.199 -7.143 409 2HG2 THR 53 2HG2 THR 53 17.557 -1.903 -8.232 410 3HG2 THR 53 3HG2 THR 53 17.791 -1.993 -6.486 411 HA PRO 54 HA PRO 54 12.549 -6.562 -8.101 412 1HB PRO 54 2HB PRO 54 13.889 -8.750 -7.139 413 2HB PRO 54 1HB PRO 54 13.810 -8.309 -8.852 414 1HG PRO 54 2HG PRO 54 16.051 -7.996 -6.926 415 2HG PRO 54 1HG PRO 54 16.095 -8.262 -8.675 416 1HD PRO 54 2HD PRO 54 16.506 -5.804 -7.403 417 2HD PRO 54 1HD PRO 54 16.111 -6.010 -9.124 418 H GLU 55 H GLU 55 14.898 -5.896 -5.563 419 HA GLU 55 HA GLU 55 13.170 -6.869 -3.441 420 1HB GLU 55 2HB GLU 55 14.882 -5.983 -1.910 421 2HB GLU 55 1HB GLU 55 15.601 -7.013 -3.145 422 1HG GLU 55 2HG GLU 55 16.407 -5.120 -4.380 423 2HG GLU 55 1HG GLU 55 15.458 -3.999 -3.403 424 H GLU 56 H GLU 56 13.963 -3.799 -4.986 425 HA GLU 56 HA GLU 56 12.634 -2.165 -3.023 426 1HB GLU 56 2HB GLU 56 13.889 -1.708 -5.693 427 2HB GLU 56 1HB GLU 56 12.747 -0.506 -5.092 428 1HG GLU 56 2HG GLU 56 14.040 -0.129 -3.111 429 2HG GLU 56 1HG GLU 56 15.052 -1.538 -3.425 430 H LEU 57 H LEU 57 11.812 -3.309 -6.312 431 HA LEU 57 HA LEU 57 9.303 -2.062 -6.499 432 1HB LEU 57 2HB LEU 57 8.842 -3.493 -8.309 433 2HB LEU 57 1HB LEU 57 10.557 -3.176 -8.363 434 HG LEU 57 HG LEU 57 10.697 -5.474 -7.053 435 1HD1 LEU 57 1HD1 LEU 57 8.562 -6.249 -6.721 436 2HD1 LEU 57 2HD1 LEU 57 8.767 -6.850 -8.366 437 3HD1 LEU 57 3HD1 LEU 57 7.912 -5.336 -8.082 438 1HD2 LEU 57 1HD2 LEU 57 11.594 -4.931 -9.333 439 2HD2 LEU 57 2HD2 LEU 57 10.022 -5.356 -10.008 440 3HD2 LEU 57 3HD2 LEU 57 10.995 -6.585 -9.202 441 H GLN 58 H GLN 58 10.274 -5.110 -4.983 442 HA GLN 58 HA GLN 58 7.609 -6.052 -4.521 443 1HB GLN 58 2HB GLN 58 9.732 -7.462 -4.511 444 2HB GLN 58 1HB GLN 58 10.049 -6.803 -2.906 445 1HG GLN 58 2HG GLN 58 8.883 -8.902 -2.620 446 2HG GLN 58 1HG GLN 58 7.764 -7.605 -2.206 447 1HE2 GLN 58 1HE2 GLN 58 5.821 -7.470 -3.411 448 2HE2 GLN 58 2HE2 GLN 58 5.477 -8.444 -4.758 449 H GLU 59 H GLU 59 9.847 -3.990 -2.737 450 HA GLU 59 HA GLU 59 8.520 -4.031 -0.227 451 1HB GLU 59 2HB GLU 59 10.434 -2.129 -1.553 452 2HB GLU 59 1HB GLU 59 9.664 -1.690 -0.029 453 1HG GLU 59 2HG GLU 59 10.579 -3.620 1.081 454 2HG GLU 59 1HG GLU 59 11.152 -4.295 -0.443 455 H MET 60 H MET 60 8.303 -1.752 -2.973 456 HA MET 60 HA MET 60 6.352 -0.073 -1.798 457 1HB MET 60 2HB MET 60 5.899 0.710 -4.116 458 2HB MET 60 1HB MET 60 7.617 0.706 -3.719 459 1HG MET 60 2HG MET 60 7.977 -1.332 -4.946 460 2HG MET 60 1HG MET 60 6.244 -1.581 -5.153 461 1HE MET 60 1HE MET 60 7.135 -0.993 -8.728 462 2HE MET 60 2HE MET 60 5.685 -1.410 -7.818 463 3HE MET 60 3HE MET 60 7.229 -2.135 -7.381 464 H ILE 61 H ILE 61 6.114 -3.104 -3.543 465 HA ILE 61 HA ILE 61 3.279 -2.975 -3.993 466 HB ILE 61 HB ILE 61 5.172 -5.341 -3.973 467 1HG1 ILE 61 2HG1 ILE 61 3.865 -4.055 -6.368 468 2HG1 ILE 61 1HG1 ILE 61 5.374 -3.415 -5.716 469 1HG2 ILE 61 1HG2 ILE 61 3.429 -6.714 -4.524 470 2HG2 ILE 61 2HG2 ILE 61 2.590 -5.456 -5.430 471 3HG2 ILE 61 3HG2 ILE 61 2.469 -5.506 -3.673 472 1HD1 ILE 61 1HD1 ILE 61 6.324 -4.953 -7.106 473 2HD1 ILE 61 2HD1 ILE 61 4.866 -5.944 -7.166 474 3HD1 ILE 61 3HD1 ILE 61 5.961 -6.068 -5.789 475 H ASP 62 H ASP 62 5.360 -4.632 -1.617 476 HA ASP 62 HA ASP 62 3.403 -5.952 -0.142 477 1HB ASP 62 2HB ASP 62 6.086 -5.749 0.087 478 2HB ASP 62 1HB ASP 62 5.596 -4.701 1.418 479 H GLU 63 H GLU 63 4.375 -2.558 -0.058 480 HA GLU 63 HA GLU 63 2.845 -1.933 2.312 481 1HB GLU 63 2HB GLU 63 4.044 -0.105 0.217 482 2HB GLU 63 1HB GLU 63 3.358 0.417 1.755 483 1HG GLU 63 2HG GLU 63 5.533 -1.665 1.705 484 2HG GLU 63 1HG GLU 63 5.944 0.044 1.585 485 H VAL 64 H VAL 64 2.401 -1.331 -1.192 486 HA VAL 64 HA VAL 64 -0.120 -0.018 -0.862 487 HB VAL 64 HB VAL 64 1.321 0.353 -2.840 488 1HG1 VAL 64 1HG1 VAL 64 0.412 -2.392 -3.742 489 2HG1 VAL 64 2HG1 VAL 64 2.000 -2.075 -3.042 490 3HG1 VAL 64 3HG1 VAL 64 1.540 -1.311 -4.563 491 1HG2 VAL 64 1HG2 VAL 64 -1.185 -0.853 -3.942 492 2HG2 VAL 64 2HG2 VAL 64 -0.472 0.728 -4.256 493 3HG2 VAL 64 3HG2 VAL 64 -1.344 0.437 -2.751 494 H ASP 65 H ASP 65 0.806 -3.374 -1.540 495 HA ASP 65 HA ASP 65 -1.853 -4.249 -2.134 496 1HB ASP 65 2HB ASP 65 0.710 -5.364 -2.314 497 2HB ASP 65 1HB ASP 65 -0.131 -6.354 -1.125 498 H GLU 66 H GLU 66 -3.327 -3.849 -0.596 499 HA GLU 66 HA GLU 66 -2.918 -3.955 2.197 500 1HB GLU 66 2HB GLU 66 -5.382 -3.948 2.372 501 2HB GLU 66 1HB GLU 66 -4.804 -2.740 1.228 502 1HG GLU 66 2HG GLU 66 -5.153 -4.649 -0.547 503 2HG GLU 66 1HG GLU 66 -6.210 -5.344 0.681 504 H ASP 67 H ASP 67 -4.057 -6.389 -0.098 505 HA ASP 67 HA ASP 67 -4.503 -8.335 2.027 506 1HB ASP 67 2HB ASP 67 -5.061 -9.856 0.046 507 2HB ASP 67 1HB ASP 67 -6.132 -8.487 0.323 508 H GLY 68 H GLY 68 -2.192 -7.719 -0.580 509 1HA GLY 68 2HA GLY 68 -0.038 -8.498 -0.878 510 2HA GLY 68 1HA GLY 68 -0.143 -9.242 0.717 511 H SER 69 H SER 69 -2.045 -9.696 -2.260 512 HA SER 69 HA SER 69 -1.856 -12.587 -1.948 513 1HB SER 69 2HB SER 69 -3.473 -12.648 -3.836 514 2HB SER 69 1HB SER 69 -4.039 -11.674 -2.484 515 HG SER 69 HG SER 69 -3.276 -10.929 -5.046 516 H GLY 70 H GLY 70 0.195 -10.407 -3.280 517 1HA GLY 70 2HA GLY 70 2.020 -10.740 -4.663 518 2HA GLY 70 1HA GLY 70 1.427 -12.362 -5.007 519 H THR 71 H THR 71 -0.827 -9.770 -5.378 520 HA THR 71 HA THR 71 -0.295 -9.451 -8.235 521 HB THR 71 HB THR 71 -2.501 -10.087 -8.937 522 HG1 THR 71 HG1 THR 71 -3.883 -9.599 -7.387 523 1HG2 THR 71 1HG2 THR 71 -0.912 -11.945 -8.697 524 2HG2 THR 71 2HG2 THR 71 -2.549 -12.483 -8.318 525 3HG2 THR 71 3HG2 THR 71 -1.403 -12.161 -7.015 526 H VAL 72 H VAL 72 -0.935 -7.490 -9.017 527 HA VAL 72 HA VAL 72 -2.073 -5.621 -7.037 528 HB VAL 72 HB VAL 72 -0.802 -4.845 -9.656 529 1HG1 VAL 72 1HG1 VAL 72 -1.175 -3.406 -7.012 530 2HG1 VAL 72 2HG1 VAL 72 -2.153 -3.156 -8.459 531 3HG1 VAL 72 3HG1 VAL 72 -0.443 -2.721 -8.463 532 1HG2 VAL 72 1HG2 VAL 72 0.511 -5.362 -6.973 533 2HG2 VAL 72 2HG2 VAL 72 1.266 -4.421 -8.259 534 3HG2 VAL 72 3HG2 VAL 72 0.899 -6.128 -8.514 535 H ASP 73 H ASP 73 -4.140 -5.169 -7.206 536 HA ASP 73 HA ASP 73 -5.605 -5.664 -9.683 537 1HB ASP 73 2HB ASP 73 -6.451 -4.735 -6.926 538 2HB ASP 73 1HB ASP 73 -7.566 -4.827 -8.289 539 H PHE 74 H PHE 74 -7.182 -3.826 -10.374 540 HA PHE 74 HA PHE 74 -5.629 -1.618 -11.167 541 1HB PHE 74 2HB PHE 74 -7.846 -2.480 -12.183 542 2HB PHE 74 1HB PHE 74 -8.624 -1.427 -10.999 543 HD1 PHE 74 HD1 PHE 74 -5.465 -1.086 -12.967 544 HD2 PHE 74 HD2 PHE 74 -9.363 0.500 -12.120 545 HE1 PHE 74 HE1 PHE 74 -4.996 0.862 -14.432 546 HE2 PHE 74 HE2 PHE 74 -8.890 2.454 -13.578 547 HZ PHE 74 HZ PHE 74 -6.704 2.632 -14.734 548 H ASP 75 H ASP 75 -7.699 -2.080 -8.351 549 HA ASP 75 HA ASP 75 -7.781 0.653 -7.528 550 1HB ASP 75 2HB ASP 75 -9.188 -1.403 -6.691 551 2HB ASP 75 1HB ASP 75 -7.853 -1.613 -5.558 552 H GLU 76 H GLU 76 -5.648 -2.083 -6.793 553 HA GLU 76 HA GLU 76 -3.963 -0.622 -4.970 554 1HB GLU 76 2HB GLU 76 -3.377 -3.205 -6.444 555 2HB GLU 76 1HB GLU 76 -2.520 -2.587 -5.034 556 1HG GLU 76 2HG GLU 76 -4.568 -2.765 -3.685 557 2HG GLU 76 1HG GLU 76 -5.461 -3.331 -5.095 558 H PHE 77 H PHE 77 -4.051 -1.206 -8.414 559 HA PHE 77 HA PHE 77 -1.375 -0.543 -9.069 560 1HB PHE 77 2HB PHE 77 -3.442 -1.577 -10.457 561 2HB PHE 77 1HB PHE 77 -3.562 0.093 -10.982 562 HD1 PHE 77 HD1 PHE 77 -3.108 -0.827 -13.247 563 HD2 PHE 77 HD2 PHE 77 -0.177 -1.013 -10.101 564 HE1 PHE 77 HE1 PHE 77 -1.332 -1.220 -14.917 565 HE2 PHE 77 HE2 PHE 77 1.592 -1.389 -11.786 566 HZ PHE 77 HZ PHE 77 1.011 -1.498 -14.196 567 H LEU 78 H LEU 78 -4.382 1.369 -9.156 568 HA LEU 78 HA LEU 78 -3.097 3.813 -9.904 569 1HB LEU 78 2HB LEU 78 -5.821 3.034 -8.981 570 2HB LEU 78 1HB LEU 78 -5.371 4.728 -8.920 571 HG LEU 78 HG LEU 78 -5.196 4.877 -11.268 572 1HD1 LEU 78 1HD1 LEU 78 -5.086 2.972 -12.765 573 2HD1 LEU 78 2HD1 LEU 78 -5.347 1.853 -11.428 574 3HD1 LEU 78 3HD1 LEU 78 -3.846 2.774 -11.528 575 1HD2 LEU 78 1HD2 LEU 78 -7.515 4.711 -10.562 576 2HD2 LEU 78 2HD2 LEU 78 -7.432 2.950 -10.583 577 3HD2 LEU 78 3HD2 LEU 78 -7.329 3.857 -12.093 578 H VAL 79 H VAL 79 -3.913 2.310 -6.828 579 HA VAL 79 HA VAL 79 -3.649 4.561 -5.149 580 HB VAL 79 HB VAL 79 -3.536 1.604 -4.794 581 1HG1 VAL 79 1HG1 VAL 79 -1.570 2.320 -3.523 582 2HG1 VAL 79 2HG1 VAL 79 -2.869 1.845 -2.425 583 3HG1 VAL 79 3HG1 VAL 79 -2.530 3.555 -2.702 584 1HG2 VAL 79 1HG2 VAL 79 -5.353 2.009 -3.332 585 2HG2 VAL 79 2HG2 VAL 79 -5.577 3.175 -4.636 586 3HG2 VAL 79 3HG2 VAL 79 -4.895 3.697 -3.095 587 H MET 80 H MET 80 -1.273 2.154 -6.243 588 HA MET 80 HA MET 80 0.997 2.910 -4.888 589 1HB MET 80 2HB MET 80 0.440 1.279 -7.083 590 2HB MET 80 1HB MET 80 1.614 2.446 -7.690 591 1HG MET 80 2HG MET 80 2.971 1.953 -5.571 592 2HG MET 80 1HG MET 80 1.901 0.569 -5.339 593 1HE MET 80 1HE MET 80 1.483 -1.171 -6.702 594 2HE MET 80 2HE MET 80 2.576 -1.919 -7.863 595 3HE MET 80 3HE MET 80 1.434 -0.690 -8.404 596 H MET 81 H MET 81 -0.576 4.624 -7.544 597 HA MET 81 HA MET 81 1.561 6.330 -8.286 598 1HB MET 81 2HB MET 81 -0.468 6.131 -9.656 599 2HB MET 81 1HB MET 81 -1.424 6.862 -8.370 600 1HG MET 81 2HG MET 81 -0.854 8.933 -9.047 601 2HG MET 81 1HG MET 81 0.861 8.532 -8.971 602 1HE MET 81 1HE MET 81 1.633 6.584 -10.549 603 2HE MET 81 2HE MET 81 2.363 8.037 -11.224 604 3HE MET 81 3HE MET 81 1.611 6.859 -12.297 605 H VAL 82 H VAL 82 -1.220 6.968 -6.129 606 HA VAL 82 HA VAL 82 -0.174 9.433 -5.144 607 HB VAL 82 HB VAL 82 -1.917 9.187 -3.355 608 1HG1 VAL 82 1HG1 VAL 82 -3.813 8.871 -5.254 609 2HG1 VAL 82 2HG1 VAL 82 -2.404 9.111 -6.286 610 3HG1 VAL 82 3HG1 VAL 82 -2.849 10.340 -5.101 611 1HG2 VAL 82 1HG2 VAL 82 -2.627 6.646 -4.858 612 2HG2 VAL 82 2HG2 VAL 82 -3.469 7.316 -3.460 613 3HG2 VAL 82 3HG2 VAL 82 -1.835 6.675 -3.281 614 H ARG 83 H ARG 83 0.200 6.081 -4.202 615 HA ARG 83 HA ARG 83 1.168 6.401 -1.573 616 1HB ARG 83 2HB ARG 83 1.660 4.301 -3.681 617 2HB ARG 83 1HB ARG 83 2.414 4.218 -2.090 618 1HG ARG 83 2HG ARG 83 -0.186 4.733 -1.411 619 2HG ARG 83 1HG ARG 83 -0.397 3.762 -2.869 620 1HD ARG 83 2HD ARG 83 0.167 1.887 -1.771 621 2HD ARG 83 1HD ARG 83 1.675 2.609 -1.222 622 HE ARG 83 HE ARG 83 -0.800 2.392 0.282 623 1HH1 ARG 83 2HH1 ARG 83 2.272 4.030 -0.052 624 2HH1 ARG 83 1HH1 ARG 83 2.323 4.531 1.602 625 1HH2 ARG 83 1HH2 ARG 83 -0.702 3.060 2.446 626 2HH2 ARG 83 2HH2 ARG 83 0.648 3.985 3.011 627 H CYS 84 H CYS 84 2.647 7.043 -4.661 628 HA CYS 84 HA CYS 84 5.340 7.170 -3.519 629 1HB CYS 84 2HB CYS 84 4.700 6.247 -5.881 630 2HB CYS 84 1HB CYS 84 4.668 7.950 -6.338 631 HG CYS 84 HG CYS 84 7.185 6.334 -5.631 632 H MET 85 H MET 85 2.795 9.299 -4.764 633 HA MET 85 HA MET 85 4.489 11.663 -4.467 634 1HB MET 85 2HB MET 85 1.728 11.180 -5.552 635 2HB MET 85 1HB MET 85 2.246 12.812 -5.133 636 1HG MET 85 2HG MET 85 3.984 11.059 -6.859 637 2HG MET 85 1HG MET 85 2.651 11.974 -7.564 638 1HE MET 85 1HE MET 85 3.825 15.367 -8.023 639 2HE MET 85 2HE MET 85 2.377 14.513 -7.494 640 3HE MET 85 3HE MET 85 3.323 13.880 -8.840 641 H LYS 86 H LYS 86 1.140 10.991 -3.394 642 HA LYS 86 HA LYS 86 1.531 12.716 -1.074 643 1HB LYS 86 2HB LYS 86 -0.589 12.666 -2.507 644 2HB LYS 86 1HB LYS 86 -0.949 11.124 -1.731 645 1HG LYS 86 2HG LYS 86 -0.175 13.266 0.145 646 2HG LYS 86 1HG LYS 86 -1.676 13.575 -0.727 647 1HD LYS 86 2HD LYS 86 -1.293 10.841 0.406 648 2HD LYS 86 1HD LYS 86 -1.630 12.147 1.540 649 1HE LYS 86 2HE LYS 86 -3.321 12.024 -0.912 650 2HE LYS 86 1HE LYS 86 -3.589 10.778 0.307 651 1HZ LYS 86 1HZ LYS 86 -3.749 12.600 1.968 652 2HZ LYS 86 2HZ LYS 86 -4.991 12.610 0.809 653 3HZ LYS 86 3HZ LYS 86 -3.708 13.718 0.692 654 H ASP 87 H ASP 87 2.823 11.697 0.386 655 HA ASP 87 HA ASP 87 1.681 9.708 2.072 656 1HB ASP 87 2HB ASP 87 3.315 7.881 1.656 657 2HB ASP 87 1HB ASP 87 2.261 8.162 0.272 658 H ASP 88 H ASP 88 2.862 12.276 2.403 659 HA ASP 88 HA ASP 88 4.296 13.413 3.779 660 1HB ASP 88 2HB ASP 88 4.343 10.662 4.977 661 2HB ASP 88 1HB ASP 88 5.452 11.895 5.579 662 H SER 89 HN SER 89 5.789 14.090 2.291 663 HA SER 89 HA SER 89 7.885 12.444 1.259 664 1HB SER 89 2HB SER 89 6.970 14.603 0.230 665 2HB SER 89 1HB SER 89 7.956 15.459 1.411 666 HG SER 89 HG SER 89 8.693 13.954 -0.809 Start of MODEL 18 1 1H MET 1 1H MET 1 -10.956 7.704 7.920 2 2H MET 1 2H MET 1 -11.818 6.865 9.119 3 3H MET 1 3H MET 1 -11.406 6.089 7.664 4 HA MET 1 HA MET 1 -9.547 6.987 9.800 5 1HB MET 1 2HB MET 1 -10.596 4.332 8.852 6 2HB MET 1 1HB MET 1 -8.992 4.428 9.578 7 1HG MET 1 2HG MET 1 -11.386 5.671 10.929 8 2HG MET 1 1HG MET 1 -11.001 3.965 11.150 9 1HE MET 1 1HE MET 1 -11.224 6.707 12.778 10 2HE MET 1 2HE MET 1 -9.883 6.904 13.903 11 3HE MET 1 3HE MET 1 -10.875 5.449 13.971 12 H ASN 2 H ASN 2 -9.652 4.989 6.824 13 HA ASN 2 HA ASN 2 -7.080 6.223 6.021 14 1HB ASN 2 2HB ASN 2 -8.019 3.382 5.543 15 2HB ASN 2 1HB ASN 2 -6.535 4.082 4.896 16 1HD2 ASN 2 1HD2 ASN 2 -5.578 5.532 7.120 17 2HD2 ASN 2 2HD2 ASN 2 -5.244 4.457 8.389 18 H ASP 3 H ASP 3 -9.355 7.492 5.301 19 HA ASP 3 HA ASP 3 -10.212 6.588 2.669 20 1HB ASP 3 2HB ASP 3 -11.663 7.799 4.466 21 2HB ASP 3 1HB ASP 3 -10.921 9.265 3.824 22 H ILE 4 H ILE 4 -7.759 8.629 3.959 23 HA ILE 4 HA ILE 4 -7.470 10.616 2.055 24 HB ILE 4 HB ILE 4 -5.123 10.746 2.628 25 1HG1 ILE 4 2HG1 ILE 4 -4.767 8.210 2.542 26 2HG1 ILE 4 1HG1 ILE 4 -3.919 9.073 3.816 27 1HG2 ILE 4 1HG2 ILE 4 -7.238 10.503 4.633 28 2HG2 ILE 4 2HG2 ILE 4 -6.005 11.747 4.438 29 3HG2 ILE 4 3HG2 ILE 4 -5.625 10.260 5.305 30 1HD1 ILE 4 1HD1 ILE 4 -6.263 7.217 4.023 31 2HD1 ILE 4 2HD1 ILE 4 -6.087 8.495 5.223 32 3HD1 ILE 4 3HD1 ILE 4 -4.811 7.298 5.018 33 H TYR 5 H TYR 5 -6.652 7.210 1.777 34 HA TYR 5 HA TYR 5 -5.178 7.530 -0.696 35 1HB TYR 5 2HB TYR 5 -6.298 5.027 0.599 36 2HB TYR 5 1HB TYR 5 -5.181 5.067 -0.765 37 HD1 TYR 5 HD1 TYR 5 -5.520 5.254 2.830 38 HD2 TYR 5 HD2 TYR 5 -2.888 6.129 -0.451 39 HE1 TYR 5 HE1 TYR 5 -3.614 5.422 4.403 40 HE2 TYR 5 HE2 TYR 5 -0.981 6.296 1.123 41 HH TYR 5 HH TYR 5 -0.757 5.082 3.870 42 H LYS 6 H LYS 6 -8.411 6.387 0.253 43 HA LYS 6 HA LYS 6 -9.249 5.840 -2.447 44 1HB LYS 6 2HB LYS 6 -10.574 5.855 0.236 45 2HB LYS 6 1HB LYS 6 -11.576 5.861 -1.215 46 1HG LYS 6 2HG LYS 6 -10.664 3.809 -1.989 47 2HG LYS 6 1HG LYS 6 -9.314 3.891 -0.858 48 1HD LYS 6 2HD LYS 6 -12.015 3.922 0.369 49 2HD LYS 6 1HD LYS 6 -11.549 2.410 -0.410 50 1HE LYS 6 2HE LYS 6 -10.400 1.920 1.470 51 2HE LYS 6 1HE LYS 6 -9.264 3.186 1.005 52 1HZ LYS 6 1HZ LYS 6 -11.667 3.492 2.721 53 2HZ LYS 6 2HZ LYS 6 -10.718 4.788 2.169 54 3HZ LYS 6 3HZ LYS 6 -10.047 3.622 3.204 55 H ALA 7 H ALA 7 -8.848 8.736 -0.738 56 HA ALA 7 HA ALA 7 -11.110 10.189 -1.731 57 1HB ALA 7 1HB ALA 7 -9.629 10.762 0.301 58 2HB ALA 7 2HB ALA 7 -10.142 12.091 -0.739 59 3HB ALA 7 3HB ALA 7 -8.508 11.440 -0.879 60 H ALA 8 H ALA 8 -7.864 9.520 -2.902 61 HA ALA 8 HA ALA 8 -7.988 11.510 -5.009 62 1HB ALA 8 1HB ALA 8 -5.826 10.871 -4.000 63 2HB ALA 8 2HB ALA 8 -5.850 10.561 -5.736 64 3HB ALA 8 3HB ALA 8 -6.045 9.226 -4.598 65 H VAL 9 H VAL 9 -8.249 7.972 -4.758 66 HA VAL 9 HA VAL 9 -8.513 7.468 -7.532 67 HB VAL 9 HB VAL 9 -7.982 5.745 -5.773 68 1HG1 VAL 9 1HG1 VAL 9 -9.790 4.731 -4.527 69 2HG1 VAL 9 2HG1 VAL 9 -10.981 5.753 -5.332 70 3HG1 VAL 9 3HG1 VAL 9 -9.821 6.465 -4.213 71 1HG2 VAL 9 1HG2 VAL 9 -10.350 5.097 -7.558 72 2HG2 VAL 9 2HG2 VAL 9 -9.166 3.951 -6.929 73 3HG2 VAL 9 3HG2 VAL 9 -8.674 5.171 -8.103 74 H GLU 10 H GLU 10 -10.810 8.574 -5.136 75 HA GLU 10 HA GLU 10 -13.122 7.942 -6.753 76 1HB GLU 10 2HB GLU 10 -14.421 9.004 -5.021 77 2HB GLU 10 1HB GLU 10 -13.202 7.983 -4.262 78 1HG GLU 10 2HG GLU 10 -11.805 9.886 -3.774 79 2HG GLU 10 1HG GLU 10 -12.841 10.956 -4.716 80 H GLN 11 H GLN 11 -10.849 10.545 -6.613 81 HA GLN 11 HA GLN 11 -12.627 12.106 -8.384 82 1HB GLN 11 2HB GLN 11 -11.866 14.189 -7.397 83 2HB GLN 11 1HB GLN 11 -12.554 13.161 -6.144 84 1HG GLN 11 2HG GLN 11 -10.053 12.344 -5.870 85 2HG GLN 11 1HG GLN 11 -9.685 13.888 -6.632 86 1HE2 GLN 11 1HE2 GLN 11 -8.726 14.564 -4.509 87 2HE2 GLN 11 2HE2 GLN 11 -9.754 15.072 -3.256 88 H LEU 12 H LEU 12 -10.397 10.218 -8.971 89 HA LEU 12 HA LEU 12 -8.223 11.913 -9.903 90 1HB LEU 12 2HB LEU 12 -7.548 9.690 -11.073 91 2HB LEU 12 1HB LEU 12 -7.351 9.869 -9.348 92 HG LEU 12 HG LEU 12 -9.314 8.512 -8.938 93 1HD1 LEU 12 1HD1 LEU 12 -9.639 8.725 -11.928 94 2HD1 LEU 12 2HD1 LEU 12 -10.831 9.039 -10.666 95 3HD1 LEU 12 3HD1 LEU 12 -10.349 7.382 -11.031 96 1HD2 LEU 12 1HD2 LEU 12 -8.323 6.484 -9.462 97 2HD2 LEU 12 2HD2 LEU 12 -6.962 7.570 -9.745 98 3HD2 LEU 12 3HD2 LEU 12 -7.922 6.987 -11.104 99 H THR 13 H THR 13 -7.486 11.319 -12.299 100 HA THR 13 HA THR 13 -9.736 12.143 -14.007 101 HB THR 13 HB THR 13 -7.541 12.232 -15.631 102 HG1 THR 13 HG1 THR 13 -5.982 11.841 -14.214 103 1HG2 THR 13 1HG2 THR 13 -7.684 14.653 -14.059 104 2HG2 THR 13 2HG2 THR 13 -9.302 14.027 -14.372 105 3HG2 THR 13 3HG2 THR 13 -8.213 14.368 -15.717 106 H ASP 14 H ASP 14 -9.699 11.300 -16.275 107 HA ASP 14 HA ASP 14 -9.889 8.442 -16.264 108 1HB ASP 14 2HB ASP 14 -10.043 10.478 -18.497 109 2HB ASP 14 1HB ASP 14 -10.276 8.748 -18.746 110 H GLU 15 H GLU 15 -7.485 10.793 -17.294 111 HA GLU 15 HA GLU 15 -5.861 8.993 -18.815 112 1HB GLU 15 2HB GLU 15 -5.473 11.720 -17.632 113 2HB GLU 15 1HB GLU 15 -4.063 10.817 -18.189 114 1HG GLU 15 2HG GLU 15 -5.371 10.437 -20.369 115 2HG GLU 15 1HG GLU 15 -6.467 11.693 -19.795 116 H GLN 16 H GLN 16 -6.077 9.862 -15.414 117 HA GLN 16 HA GLN 16 -3.615 8.739 -14.547 118 1HB GLN 16 2HB GLN 16 -4.867 10.285 -13.126 119 2HB GLN 16 1HB GLN 16 -6.217 9.155 -13.044 120 1HG GLN 16 2HG GLN 16 -5.225 7.942 -11.420 121 2HG GLN 16 1HG GLN 16 -3.691 7.895 -12.289 122 1HE2 GLN 16 1HE2 GLN 16 -5.660 10.449 -10.638 123 2HE2 GLN 16 2HE2 GLN 16 -4.342 11.121 -9.810 124 H LYS 17 H LYS 17 -6.927 7.459 -14.767 125 HA LYS 17 HA LYS 17 -6.330 4.871 -13.727 126 1HB LYS 17 2HB LYS 17 -8.566 5.699 -15.601 127 2HB LYS 17 1HB LYS 17 -8.491 4.195 -14.685 128 1HG LYS 17 2HG LYS 17 -9.049 5.207 -12.714 129 2HG LYS 17 1HG LYS 17 -8.164 6.683 -13.100 130 1HD LYS 17 2HD LYS 17 -10.315 7.493 -13.308 131 2HD LYS 17 1HD LYS 17 -10.081 6.901 -14.951 132 1HE LYS 17 2HE LYS 17 -12.023 5.771 -14.544 133 2HE LYS 17 1HE LYS 17 -10.952 4.627 -13.738 134 1HZ LYS 17 1HZ LYS 17 -12.872 5.340 -12.376 135 2HZ LYS 17 2HZ LYS 17 -12.258 6.923 -12.382 136 3HZ LYS 17 3HZ LYS 17 -11.376 5.669 -11.650 137 H ASN 18 H ASN 18 -6.543 6.216 -17.004 138 HA ASN 18 HA ASN 18 -6.069 3.801 -18.415 139 1HB ASN 18 2HB ASN 18 -5.733 6.708 -19.138 140 2HB ASN 18 1HB ASN 18 -5.301 5.420 -20.262 141 1HD2 ASN 18 1HD2 ASN 18 -7.081 6.040 -21.716 142 2HD2 ASN 18 2HD2 ASN 18 -8.691 5.678 -21.319 143 H GLU 19 H GLU 19 -3.917 6.109 -16.880 144 HA GLU 19 HA GLU 19 -1.497 5.539 -18.154 145 1HB GLU 19 2HB GLU 19 -1.907 7.326 -16.404 146 2HB GLU 19 1HB GLU 19 -1.792 6.055 -15.185 147 1HG GLU 19 2HG GLU 19 0.470 5.587 -15.731 148 2HG GLU 19 1HG GLU 19 0.373 6.479 -17.249 149 H PHE 20 H PHE 20 -2.922 3.995 -15.270 150 HA PHE 20 HA PHE 20 -0.867 1.943 -15.214 151 1HB PHE 20 2HB PHE 20 -3.268 2.593 -13.538 152 2HB PHE 20 1HB PHE 20 -2.494 1.017 -13.400 153 HD1 PHE 20 HD1 PHE 20 -0.120 0.837 -12.663 154 HD2 PHE 20 HD2 PHE 20 -2.194 4.598 -12.755 155 HE1 PHE 20 HE1 PHE 20 1.613 1.824 -11.200 156 HE2 PHE 20 HE2 PHE 20 -0.452 5.591 -11.305 157 HZ PHE 20 HZ PHE 20 1.452 4.207 -10.522 158 H LYS 21 H LYS 21 -4.349 2.146 -15.941 159 HA LYS 21 HA LYS 21 -4.875 -0.565 -16.336 160 1HB LYS 21 2HB LYS 21 -6.531 1.387 -16.316 161 2HB LYS 21 1HB LYS 21 -6.137 1.587 -18.022 162 1HG LYS 21 2HG LYS 21 -8.011 0.146 -18.049 163 2HG LYS 21 1HG LYS 21 -6.641 -0.951 -18.222 164 1HD LYS 21 2HD LYS 21 -6.688 -1.441 -15.826 165 2HD LYS 21 1HD LYS 21 -8.001 -0.285 -15.596 166 1HE LYS 21 2HE LYS 21 -9.405 -1.635 -17.161 167 2HE LYS 21 1HE LYS 21 -8.109 -2.828 -17.244 168 1HZ LYS 21 1HZ LYS 21 -8.284 -3.147 -14.862 169 2HZ LYS 21 2HZ LYS 21 -9.787 -3.429 -15.605 170 3HZ LYS 21 3HZ LYS 21 -9.511 -1.977 -14.765 171 H ALA 22 H ALA 22 -3.247 1.718 -18.463 172 HA ALA 22 HA ALA 22 -3.444 0.282 -20.888 173 1HB ALA 22 1HB ALA 22 -1.227 2.078 -19.871 174 2HB ALA 22 2HB ALA 22 -2.596 2.564 -20.872 175 3HB ALA 22 3HB ALA 22 -1.358 1.493 -21.529 176 H ALA 23 H ALA 23 -0.852 0.316 -18.434 177 HA ALA 23 HA ALA 23 0.609 -1.857 -19.573 178 1HB ALA 23 1HB ALA 23 1.557 -0.135 -17.986 179 2HB ALA 23 2HB ALA 23 1.932 -1.804 -17.565 180 3HB ALA 23 3HB ALA 23 0.670 -0.938 -16.689 181 H PHE 24 H PHE 24 -1.950 -1.575 -17.174 182 HA PHE 24 HA PHE 24 -1.836 -4.190 -16.102 183 1HB PHE 24 2HB PHE 24 -3.212 -2.075 -15.356 184 2HB PHE 24 1HB PHE 24 -4.443 -2.740 -16.426 185 HD1 PHE 24 HD1 PHE 24 -4.938 -5.330 -16.111 186 HD2 PHE 24 HD2 PHE 24 -3.113 -2.815 -13.151 187 HE1 PHE 24 HE1 PHE 24 -5.592 -6.936 -14.338 188 HE2 PHE 24 HE2 PHE 24 -3.766 -4.413 -11.382 189 HZ PHE 24 HZ PHE 24 -5.010 -6.467 -11.974 190 H ASP 25 H ASP 25 -3.581 -2.840 -18.890 191 HA ASP 25 HA ASP 25 -5.058 -5.202 -19.479 192 1HB ASP 25 2HB ASP 25 -5.382 -2.717 -20.294 193 2HB ASP 25 1HB ASP 25 -4.352 -3.243 -21.626 194 H ILE 26 H ILE 26 -1.948 -3.943 -20.687 195 HA ILE 26 HA ILE 26 -1.628 -5.955 -22.685 196 HB ILE 26 HB ILE 26 0.777 -5.279 -22.708 197 1HG1 ILE 26 2HG1 ILE 26 -0.097 -3.354 -20.528 198 2HG1 ILE 26 1HG1 ILE 26 0.953 -4.745 -20.278 199 1HG2 ILE 26 1HG2 ILE 26 0.355 -3.112 -23.646 200 2HG2 ILE 26 2HG2 ILE 26 -1.088 -2.894 -22.655 201 3HG2 ILE 26 3HG2 ILE 26 -1.083 -4.083 -23.957 202 1HD1 ILE 26 1HD1 ILE 26 2.413 -3.687 -22.160 203 2HD1 ILE 26 2HD1 ILE 26 2.479 -2.983 -20.545 204 3HD1 ILE 26 3HD1 ILE 26 1.514 -2.212 -21.803 205 H PHE 27 H PHE 27 -0.588 -5.723 -19.295 206 HA PHE 27 HA PHE 27 0.856 -8.233 -19.400 207 1HB PHE 27 2HB PHE 27 -0.020 -6.616 -16.987 208 2HB PHE 27 1HB PHE 27 1.115 -7.965 -16.971 209 HD1 PHE 27 HD1 PHE 27 2.638 -7.413 -19.495 210 HD2 PHE 27 HD2 PHE 27 1.343 -4.768 -16.360 211 HE1 PHE 27 HE1 PHE 27 4.478 -5.849 -20.054 212 HE2 PHE 27 HE2 PHE 27 3.184 -3.202 -16.934 213 HZ PHE 27 HZ PHE 27 4.749 -3.744 -18.774 214 H ILE 28 H ILE 28 -2.282 -7.098 -18.188 215 HA ILE 28 HA ILE 28 -3.089 -9.904 -17.737 216 HB ILE 28 HB ILE 28 -4.160 -7.308 -16.601 217 1HG1 ILE 28 2HG1 ILE 28 -2.115 -8.232 -15.562 218 2HG1 ILE 28 1HG1 ILE 28 -3.492 -8.319 -14.463 219 1HG2 ILE 28 1HG2 ILE 28 -5.523 -9.827 -17.035 220 2HG2 ILE 28 2HG2 ILE 28 -6.157 -8.311 -16.395 221 3HG2 ILE 28 3HG2 ILE 28 -5.393 -9.474 -15.312 222 1HD1 ILE 28 1HD1 ILE 28 -3.762 -10.656 -14.814 223 2HD1 ILE 28 2HD1 ILE 28 -2.021 -10.428 -14.653 224 3HD1 ILE 28 3HD1 ILE 28 -2.737 -10.643 -16.250 225 H GLN 29 H GLN 29 -3.026 -9.621 -20.219 226 HA GLN 29 HA GLN 29 -5.336 -8.335 -21.399 227 1HB GLN 29 2HB GLN 29 -3.158 -8.495 -22.595 228 2HB GLN 29 1HB GLN 29 -3.355 -10.247 -22.658 229 1HG GLN 29 2HG GLN 29 -5.257 -10.097 -24.060 230 2HG GLN 29 1HG GLN 29 -5.473 -8.379 -23.723 231 1HE2 GLN 29 1HE2 GLN 29 -3.768 -6.880 -24.627 232 2HE2 GLN 29 2HE2 GLN 29 -2.927 -7.347 -26.026 233 H ASP 30 H ASP 30 -4.225 -11.685 -20.911 234 HA ASP 30 HA ASP 30 -6.989 -12.594 -21.452 235 1HB ASP 30 2HB ASP 30 -4.871 -13.375 -22.855 236 2HB ASP 30 1HB ASP 30 -4.700 -14.506 -21.513 237 H ALA 31 H ALA 31 -5.978 -11.625 -18.838 238 HA ALA 31 HA ALA 31 -5.809 -14.069 -17.235 239 1HB ALA 31 1HB ALA 31 -4.601 -11.687 -16.857 240 2HB ALA 31 2HB ALA 31 -4.989 -12.789 -15.536 241 3HB ALA 31 3HB ALA 31 -6.057 -11.433 -15.894 242 H GLU 32 H GLU 32 -7.263 -14.500 -15.527 243 HA GLU 32 HA GLU 32 -9.945 -13.287 -15.849 244 1HB GLU 32 2HB GLU 32 -10.904 -15.518 -15.259 245 2HB GLU 32 1HB GLU 32 -10.040 -15.520 -16.794 246 1HG GLU 32 2HG GLU 32 -8.489 -16.211 -14.328 247 2HG GLU 32 1HG GLU 32 -9.619 -17.413 -14.953 248 H ASP 33 H ASP 33 -8.041 -12.321 -14.072 249 HA ASP 33 HA ASP 33 -9.292 -12.998 -11.486 250 1HB ASP 33 2HB ASP 33 -6.322 -12.530 -11.860 251 2HB ASP 33 1HB ASP 33 -7.149 -12.922 -10.352 252 H GLY 34 H GLY 34 -7.163 -10.710 -13.209 253 1HA GLY 34 2HA GLY 34 -7.580 -8.382 -13.410 254 2HA GLY 34 1HA GLY 34 -8.649 -8.475 -12.013 255 H CYS 35 H CYS 35 -5.304 -9.619 -12.469 256 HA CYS 35 HA CYS 35 -4.222 -7.553 -10.744 257 1HB CYS 35 2HB CYS 35 -3.319 -9.185 -9.074 258 2HB CYS 35 1HB CYS 35 -5.068 -9.002 -9.013 259 HG CYS 35 HG CYS 35 -3.652 -11.454 -10.348 260 H ILE 36 H ILE 36 -2.071 -7.263 -11.053 261 HA ILE 36 HA ILE 36 -0.799 -8.938 -13.098 262 HB ILE 36 HB ILE 36 0.795 -7.195 -13.391 263 1HG1 ILE 36 2HG1 ILE 36 0.209 -5.162 -11.566 264 2HG1 ILE 36 1HG1 ILE 36 0.172 -6.630 -10.588 265 1HG2 ILE 36 1HG2 ILE 36 -1.583 -6.738 -14.153 266 2HG2 ILE 36 2HG2 ILE 36 -0.577 -5.307 -13.932 267 3HG2 ILE 36 3HG2 ILE 36 -1.771 -5.744 -12.709 268 1HD1 ILE 36 1HD1 ILE 36 2.461 -5.418 -10.950 269 2HD1 ILE 36 2HD1 ILE 36 2.418 -6.175 -12.543 270 3HD1 ILE 36 3HD1 ILE 36 2.400 -7.177 -11.087 271 H SER 37 H SER 37 1.709 -9.182 -12.706 272 HA SER 37 HA SER 37 1.957 -10.635 -10.177 273 1HB SER 37 2HB SER 37 2.660 -11.572 -12.465 274 2HB SER 37 1HB SER 37 4.043 -10.491 -12.347 275 HG SER 37 HG SER 37 4.657 -12.400 -11.430 276 H THR 38 H THR 38 2.549 -9.436 -8.488 277 HA THR 38 HA THR 38 3.848 -6.976 -8.471 278 HB THR 38 HB THR 38 4.375 -7.386 -6.116 279 HG1 THR 38 HG1 THR 38 3.608 -10.050 -6.712 280 1HG2 THR 38 1HG2 THR 38 1.705 -8.164 -7.216 281 2HG2 THR 38 2HG2 THR 38 2.154 -6.763 -6.245 282 3HG2 THR 38 3HG2 THR 38 1.990 -8.345 -5.485 283 H LYS 39 H LYS 39 5.271 -10.236 -8.235 284 HA LYS 39 HA LYS 39 7.952 -9.396 -7.864 285 1HB LYS 39 2HB LYS 39 8.579 -11.674 -8.591 286 2HB LYS 39 1HB LYS 39 7.282 -11.701 -7.399 287 1HG LYS 39 2HG LYS 39 5.962 -11.521 -9.864 288 2HG LYS 39 1HG LYS 39 7.274 -12.664 -10.147 289 1HD LYS 39 2HD LYS 39 5.537 -12.892 -7.693 290 2HD LYS 39 1HD LYS 39 5.022 -13.586 -9.229 291 1HE LYS 39 2HE LYS 39 7.815 -14.193 -8.455 292 2HE LYS 39 1HE LYS 39 6.579 -14.905 -7.419 293 1HZ LYS 39 1HZ LYS 39 7.190 -16.316 -9.328 294 2HZ LYS 39 2HZ LYS 39 6.610 -15.116 -10.381 295 3HZ LYS 39 3HZ LYS 39 5.545 -15.903 -9.315 296 H GLU 40 H GLU 40 5.929 -9.619 -10.700 297 HA GLU 40 HA GLU 40 8.250 -9.014 -12.433 298 1HB GLU 40 2HB GLU 40 5.481 -9.983 -13.198 299 2HB GLU 40 1HB GLU 40 6.812 -9.679 -14.314 300 1HG GLU 40 2HG GLU 40 8.148 -11.429 -13.276 301 2HG GLU 40 1HG GLU 40 6.918 -11.677 -12.037 302 H LEU 41 H LEU 41 6.825 -7.122 -10.628 303 HA LEU 41 HA LEU 41 5.144 -5.455 -12.234 304 1HB LEU 41 2HB LEU 41 5.233 -5.599 -9.678 305 2HB LEU 41 1HB LEU 41 6.633 -4.553 -9.787 306 HG LEU 41 HG LEU 41 4.274 -3.589 -11.269 307 1HD1 LEU 41 1HD1 LEU 41 2.765 -3.525 -9.596 308 2HD1 LEU 41 2HD1 LEU 41 3.973 -2.978 -8.434 309 3HD1 LEU 41 3HD1 LEU 41 3.778 -4.700 -8.760 310 1HD2 LEU 41 1HD2 LEU 41 6.439 -2.356 -10.841 311 2HD2 LEU 41 2HD2 LEU 41 5.992 -2.292 -9.136 312 3HD2 LEU 41 3HD2 LEU 41 4.992 -1.480 -10.341 313 H GLY 42 H GLY 42 8.563 -5.836 -12.021 314 1HA GLY 42 2HA GLY 42 9.541 -3.273 -12.521 315 2HA GLY 42 1HA GLY 42 10.287 -4.756 -13.107 316 H LYS 43 H LYS 43 7.931 -5.552 -14.664 317 HA LYS 43 HA LYS 43 8.546 -4.271 -17.135 318 1HB LYS 43 2HB LYS 43 6.133 -5.987 -16.489 319 2HB LYS 43 1HB LYS 43 6.792 -5.650 -18.090 320 1HG LYS 43 2HG LYS 43 8.829 -6.705 -16.285 321 2HG LYS 43 1HG LYS 43 7.465 -7.811 -16.453 322 1HD LYS 43 2HD LYS 43 7.794 -7.089 -19.044 323 2HD LYS 43 1HD LYS 43 9.457 -6.943 -18.474 324 1HE LYS 43 2HE LYS 43 9.408 -9.190 -19.065 325 2HE LYS 43 1HE LYS 43 8.954 -9.290 -17.364 326 1HZ LYS 43 1HZ LYS 43 7.034 -9.162 -19.630 327 2HZ LYS 43 2HZ LYS 43 6.644 -9.358 -17.988 328 3HZ LYS 43 3HZ LYS 43 7.480 -10.582 -18.817 329 H VAL 44 H VAL 44 6.135 -3.721 -14.654 330 HA VAL 44 HA VAL 44 4.665 -1.839 -16.356 331 HB VAL 44 HB VAL 44 2.863 -2.166 -15.034 332 1HG1 VAL 44 1HG1 VAL 44 2.681 -4.314 -14.153 333 2HG1 VAL 44 2HG1 VAL 44 4.328 -4.304 -13.521 334 3HG1 VAL 44 3HG1 VAL 44 4.050 -4.485 -15.252 335 1HG2 VAL 44 1HG2 VAL 44 3.170 -2.424 -12.448 336 2HG2 VAL 44 2HG2 VAL 44 3.392 -0.837 -13.182 337 3HG2 VAL 44 3HG2 VAL 44 4.796 -1.817 -12.754 338 H MET 45 H MET 45 6.870 -1.957 -13.641 339 HA MET 45 HA MET 45 6.633 0.691 -12.711 340 1HB MET 45 2HB MET 45 8.013 -1.403 -11.817 341 2HB MET 45 1HB MET 45 9.311 -0.636 -12.733 342 1HG MET 45 2HG MET 45 9.446 0.289 -10.538 343 2HG MET 45 1HG MET 45 8.687 1.532 -11.531 344 1HE MET 45 1HE MET 45 7.222 1.336 -7.762 345 2HE MET 45 2HE MET 45 8.022 2.439 -8.877 346 3HE MET 45 3HE MET 45 8.829 0.950 -8.392 347 H ARG 46 H ARG 46 8.591 -0.763 -15.293 348 HA ARG 46 HA ARG 46 10.086 1.565 -15.938 349 1HB ARG 46 2HB ARG 46 10.499 0.453 -18.123 350 2HB ARG 46 1HB ARG 46 10.809 -0.607 -16.751 351 1HG ARG 46 2HG ARG 46 8.978 -1.946 -17.189 352 2HG ARG 46 1HG ARG 46 8.068 -0.641 -17.943 353 1HD ARG 46 2HD ARG 46 8.681 -2.085 -19.727 354 2HD ARG 46 1HD ARG 46 9.783 -0.716 -19.829 355 HE ARG 46 HE ARG 46 10.965 -2.738 -18.235 356 1HH1 ARG 46 2HH1 ARG 46 10.051 -2.066 -21.538 357 2HH1 ARG 46 1HH1 ARG 46 11.291 -3.064 -22.216 358 1HH2 ARG 46 1HH2 ARG 46 12.583 -4.043 -19.147 359 2HH2 ARG 46 2HH2 ARG 46 12.720 -4.182 -20.869 360 H MET 47 H MET 47 6.873 0.458 -16.803 361 HA MET 47 HA MET 47 6.393 2.288 -18.946 362 1HB MET 47 2HB MET 47 4.816 0.388 -17.333 363 2HB MET 47 1HB MET 47 3.912 1.792 -17.893 364 1HG MET 47 2HG MET 47 3.761 0.009 -19.557 365 2HG MET 47 1HG MET 47 4.711 1.343 -20.212 366 1HE MET 47 1HE MET 47 7.490 1.244 -20.424 367 2HE MET 47 2HE MET 47 6.282 0.865 -21.649 368 3HE MET 47 3HE MET 47 7.694 -0.172 -21.464 369 H LEU 48 H LEU 48 6.157 2.447 -15.444 370 HA LEU 48 HA LEU 48 4.634 4.888 -15.325 371 1HB LEU 48 2HB LEU 48 6.078 3.150 -13.396 372 2HB LEU 48 1HB LEU 48 5.844 4.819 -12.935 373 HG LEU 48 HG LEU 48 3.427 4.561 -13.080 374 1HD1 LEU 48 1HD1 LEU 48 2.657 3.048 -14.575 375 2HD1 LEU 48 2HD1 LEU 48 2.979 1.826 -13.344 376 3HD1 LEU 48 3HD1 LEU 48 4.185 2.169 -14.582 377 1HD2 LEU 48 1HD2 LEU 48 4.044 2.068 -11.625 378 2HD2 LEU 48 2HD2 LEU 48 3.310 3.559 -11.038 379 3HD2 LEU 48 3HD2 LEU 48 5.063 3.436 -11.178 380 H GLY 49 H GLY 49 8.028 4.011 -15.452 381 1HA GLY 49 2HA GLY 49 9.509 5.694 -16.508 382 2HA GLY 49 1HA GLY 49 8.754 6.886 -15.459 383 H GLN 50 H GLN 50 9.621 3.642 -14.363 384 HA GLN 50 HA GLN 50 12.129 4.487 -13.184 385 1HB GLN 50 2HB GLN 50 11.380 3.946 -10.836 386 2HB GLN 50 1HB GLN 50 10.713 5.437 -11.496 387 1HG GLN 50 2HG GLN 50 8.907 3.412 -12.259 388 2HG GLN 50 1HG GLN 50 9.321 3.064 -10.582 389 1HE2 GLN 50 1HE2 GLN 50 8.042 5.637 -12.719 390 2HE2 GLN 50 2HE2 GLN 50 7.278 6.503 -11.476 391 H ASN 51 H ASN 51 13.457 2.776 -12.805 392 HA ASN 51 HA ASN 51 12.254 0.073 -12.838 393 1HB ASN 51 2HB ASN 51 13.388 0.903 -15.048 394 2HB ASN 51 1HB ASN 51 14.890 0.580 -14.180 395 1HD2 ASN 51 1HD2 ASN 51 15.566 -1.594 -14.051 396 2HD2 ASN 51 2HD2 ASN 51 14.618 -2.912 -14.546 397 HA PRO 52 HA PRO 52 15.111 0.260 -9.271 398 1HB PRO 52 2HB PRO 52 13.392 -0.963 -7.529 399 2HB PRO 52 1HB PRO 52 13.370 0.773 -7.874 400 1HG PRO 52 2HG PRO 52 11.480 -1.330 -8.713 401 2HG PRO 52 1HG PRO 52 11.224 0.413 -8.545 402 1HD PRO 52 2HD PRO 52 11.663 -1.036 -10.971 403 2HD PRO 52 1HD PRO 52 11.558 0.728 -10.777 404 H THR 53 H THR 53 15.014 -1.885 -7.449 405 HA THR 53 HA THR 53 15.922 -4.126 -9.143 406 HB THR 53 HB THR 53 17.364 -4.753 -7.407 407 HG1 THR 53 HG1 THR 53 16.803 -4.651 -5.382 408 1HG2 THR 53 1HG2 THR 53 17.845 -2.429 -8.313 409 2HG2 THR 53 2HG2 THR 53 18.562 -2.808 -6.746 410 3HG2 THR 53 3HG2 THR 53 17.116 -1.802 -6.834 411 HA PRO 54 HA PRO 54 12.657 -6.755 -7.772 412 1HB PRO 54 2HB PRO 54 13.885 -9.077 -6.983 413 2HB PRO 54 1HB PRO 54 13.681 -8.585 -8.672 414 1HG PRO 54 2HG PRO 54 16.111 -8.486 -6.955 415 2HG PRO 54 1HG PRO 54 15.971 -8.757 -8.700 416 1HD PRO 54 2HD PRO 54 16.725 -6.350 -7.526 417 2HD PRO 54 1HD PRO 54 16.079 -6.508 -9.175 418 H GLU 55 H GLU 55 15.285 -6.351 -5.471 419 HA GLU 55 HA GLU 55 13.734 -7.236 -3.182 420 1HB GLU 55 2HB GLU 55 16.474 -6.044 -3.550 421 2HB GLU 55 1HB GLU 55 15.746 -6.142 -1.946 422 1HG GLU 55 2HG GLU 55 15.863 -8.438 -1.880 423 2HG GLU 55 1HG GLU 55 15.639 -8.605 -3.621 424 H GLU 56 H GLU 56 14.637 -4.193 -4.742 425 HA GLU 56 HA GLU 56 13.635 -2.507 -2.636 426 1HB GLU 56 2HB GLU 56 15.278 -2.096 -4.796 427 2HB GLU 56 1HB GLU 56 13.779 -1.337 -5.329 428 1HG GLU 56 2HG GLU 56 13.759 0.181 -3.537 429 2HG GLU 56 1HG GLU 56 14.855 -0.804 -2.568 430 H LEU 57 H LEU 57 12.412 -3.530 -5.835 431 HA LEU 57 HA LEU 57 10.028 -2.017 -5.749 432 1HB LEU 57 2HB LEU 57 9.319 -3.221 -7.619 433 2HB LEU 57 1HB LEU 57 11.056 -3.146 -7.768 434 HG LEU 57 HG LEU 57 10.953 -5.529 -6.634 435 1HD1 LEU 57 1HD1 LEU 57 8.676 -6.392 -7.978 436 2HD1 LEU 57 2HD1 LEU 57 8.151 -4.892 -7.216 437 3HD1 LEU 57 3HD1 LEU 57 8.822 -6.193 -6.232 438 1HD2 LEU 57 1HD2 LEU 57 10.716 -6.505 -8.939 439 2HD2 LEU 57 2HD2 LEU 57 11.821 -5.132 -8.873 440 3HD2 LEU 57 3HD2 LEU 57 10.188 -4.921 -9.508 441 H GLN 58 H GLN 58 10.815 -5.260 -4.550 442 HA GLN 58 HA GLN 58 8.205 -6.139 -3.969 443 1HB GLN 58 2HB GLN 58 10.916 -6.948 -3.241 444 2HB GLN 58 1HB GLN 58 9.756 -7.224 -1.943 445 1HG GLN 58 2HG GLN 58 9.280 -8.089 -4.808 446 2HG GLN 58 1HG GLN 58 9.978 -9.145 -3.581 447 1HE2 GLN 58 1HE2 GLN 58 6.993 -7.870 -4.824 448 2HE2 GLN 58 2HE2 GLN 58 5.974 -8.535 -3.640 449 H GLU 59 H GLU 59 10.437 -4.101 -2.108 450 HA GLU 59 HA GLU 59 8.990 -4.042 0.322 451 1HB GLU 59 2HB GLU 59 10.968 -2.189 -0.974 452 2HB GLU 59 1HB GLU 59 10.106 -1.670 0.475 453 1HG GLU 59 2HG GLU 59 11.381 -4.384 0.453 454 2HG GLU 59 1HG GLU 59 12.405 -2.967 0.681 455 H MET 60 H MET 60 8.768 -2.103 -2.631 456 HA MET 60 HA MET 60 6.822 -0.255 -1.685 457 1HB MET 60 2HB MET 60 7.237 -1.144 -4.549 458 2HB MET 60 1HB MET 60 6.500 0.361 -3.999 459 1HG MET 60 2HG MET 60 8.769 0.765 -2.789 460 2HG MET 60 1HG MET 60 9.392 -0.472 -3.882 461 1HE MET 60 1HE MET 60 11.114 1.438 -4.715 462 2HE MET 60 2HE MET 60 10.322 2.521 -3.574 463 3HE MET 60 3HE MET 60 10.579 3.040 -5.238 464 H ILE 61 H ILE 61 6.646 -3.373 -3.321 465 HA ILE 61 HA ILE 61 3.860 -3.429 -3.811 466 HB ILE 61 HB ILE 61 5.726 -5.760 -3.279 467 1HG1 ILE 61 2HG1 ILE 61 6.519 -4.476 -5.180 468 2HG1 ILE 61 1HG1 ILE 61 5.727 -5.923 -5.792 469 1HG2 ILE 61 1HG2 ILE 61 3.107 -5.766 -4.792 470 2HG2 ILE 61 2HG2 ILE 61 3.216 -6.170 -3.079 471 3HG2 ILE 61 3HG2 ILE 61 4.061 -7.154 -4.272 472 1HD1 ILE 61 1HD1 ILE 61 3.662 -4.612 -6.190 473 2HD1 ILE 61 2HD1 ILE 61 5.032 -3.956 -7.086 474 3HD1 ILE 61 3HD1 ILE 61 4.483 -3.162 -5.611 475 H ASP 62 H ASP 62 5.753 -4.893 -1.147 476 HA ASP 62 HA ASP 62 3.652 -5.912 0.359 477 1HB ASP 62 2HB ASP 62 6.276 -5.967 0.720 478 2HB ASP 62 1HB ASP 62 5.928 -4.617 1.799 479 H GLU 63 H GLU 63 4.877 -2.603 0.198 480 HA GLU 63 HA GLU 63 3.357 -1.613 2.414 481 1HB GLU 63 2HB GLU 63 4.865 -0.323 0.157 482 2HB GLU 63 1HB GLU 63 3.865 0.645 1.241 483 1HG GLU 63 2HG GLU 63 5.119 -0.087 3.171 484 2HG GLU 63 1HG GLU 63 6.006 -1.270 2.208 485 H VAL 64 H VAL 64 2.962 -1.115 -1.120 486 HA VAL 64 HA VAL 64 0.450 0.174 -0.905 487 HB VAL 64 HB VAL 64 1.874 0.397 -2.895 488 1HG1 VAL 64 1HG1 VAL 64 1.008 -2.386 -3.687 489 2HG1 VAL 64 2HG1 VAL 64 2.531 -2.088 -2.850 490 3HG1 VAL 64 3HG1 VAL 64 2.241 -1.369 -4.433 491 1HG2 VAL 64 1HG2 VAL 64 0.093 0.654 -4.342 492 2HG2 VAL 64 2HG2 VAL 64 -0.801 0.422 -2.840 493 3HG2 VAL 64 3HG2 VAL 64 -0.585 -0.928 -3.954 494 H ASP 65 H ASP 65 1.293 -3.244 -1.463 495 HA ASP 65 HA ASP 65 -1.410 -4.110 -1.860 496 1HB ASP 65 2HB ASP 65 1.129 -5.272 -2.115 497 2HB ASP 65 1HB ASP 65 0.358 -6.173 -0.817 498 H GLU 66 H GLU 66 -2.852 -3.779 -0.280 499 HA GLU 66 HA GLU 66 -2.303 -3.575 2.480 500 1HB GLU 66 2HB GLU 66 -4.937 -4.425 1.243 501 2HB GLU 66 1HB GLU 66 -4.696 -3.696 2.831 502 1HG GLU 66 2HG GLU 66 -3.752 -1.667 1.684 503 2HG GLU 66 1HG GLU 66 -4.199 -2.395 0.141 504 H ASP 67 H ASP 67 -3.568 -6.276 0.556 505 HA ASP 67 HA ASP 67 -3.535 -8.090 2.816 506 1HB ASP 67 2HB ASP 67 -4.118 -9.817 1.043 507 2HB ASP 67 1HB ASP 67 -5.280 -8.510 1.260 508 H GLY 68 H GLY 68 -1.568 -7.544 -0.092 509 1HA GLY 68 2HA GLY 68 0.647 -8.110 -0.491 510 2HA GLY 68 1HA GLY 68 0.733 -8.763 1.143 511 H SER 69 H SER 69 -1.374 -9.571 -1.602 512 HA SER 69 HA SER 69 -1.022 -12.408 -1.158 513 1HB SER 69 2HB SER 69 -2.543 -12.633 -3.121 514 2HB SER 69 1HB SER 69 -3.203 -11.615 -1.846 515 HG SER 69 HG SER 69 -2.435 -10.987 -4.415 516 H GLY 70 H GLY 70 0.600 -10.038 -3.052 517 1HA GLY 70 2HA GLY 70 2.635 -10.490 -4.193 518 2HA GLY 70 1HA GLY 70 2.100 -12.151 -4.438 519 H THR 71 H THR 71 -0.338 -9.818 -4.998 520 HA THR 71 HA THR 71 0.242 -9.589 -7.864 521 HB THR 71 HB THR 71 -1.983 -10.345 -8.498 522 HG1 THR 71 HG1 THR 71 -3.485 -10.400 -7.054 523 1HG2 THR 71 1HG2 THR 71 -1.796 -12.724 -7.909 524 2HG2 THR 71 2HG2 THR 71 -0.669 -12.320 -6.614 525 3HG2 THR 71 3HG2 THR 71 -0.211 -12.055 -8.298 526 H VAL 72 H VAL 72 -0.165 -7.571 -8.557 527 HA VAL 72 HA VAL 72 -1.513 -5.727 -6.729 528 HB VAL 72 HB VAL 72 -0.309 -5.008 -9.399 529 1HG1 VAL 72 1HG1 VAL 72 -0.112 -2.803 -8.380 530 2HG1 VAL 72 2HG1 VAL 72 -0.681 -3.433 -6.834 531 3HG1 VAL 72 3HG1 VAL 72 -1.775 -3.366 -8.216 532 1HG2 VAL 72 1HG2 VAL 72 1.035 -5.344 -6.706 533 2HG2 VAL 72 2HG2 VAL 72 1.726 -4.376 -8.008 534 3HG2 VAL 72 3HG2 VAL 72 1.482 -6.109 -8.234 535 H ASP 73 H ASP 73 -3.605 -5.380 -6.882 536 HA ASP 73 HA ASP 73 -5.101 -6.100 -9.276 537 1HB ASP 73 2HB ASP 73 -6.165 -4.651 -6.837 538 2HB ASP 73 1HB ASP 73 -7.076 -5.590 -8.018 539 H PHE 74 H PHE 74 -6.669 -4.421 -10.200 540 HA PHE 74 HA PHE 74 -5.228 -2.199 -11.133 541 1HB PHE 74 2HB PHE 74 -7.283 -3.192 -12.221 542 2HB PHE 74 1HB PHE 74 -8.246 -2.333 -11.016 543 HD1 PHE 74 HD1 PHE 74 -5.146 -1.428 -12.913 544 HD2 PHE 74 HD2 PHE 74 -9.238 -0.473 -12.026 545 HE1 PHE 74 HE1 PHE 74 -4.956 0.651 -14.252 546 HE2 PHE 74 HE2 PHE 74 -9.045 1.605 -13.364 547 HZ PHE 74 HZ PHE 74 -6.905 2.165 -14.479 548 H ASP 75 H ASP 75 -7.332 -2.585 -8.337 549 HA ASP 75 HA ASP 75 -7.600 0.183 -7.690 550 1HB ASP 75 2HB ASP 75 -7.774 -2.287 -5.939 551 2HB ASP 75 1HB ASP 75 -8.195 -0.659 -5.410 552 H GLU 76 H GLU 76 -5.339 -2.375 -6.687 553 HA GLU 76 HA GLU 76 -3.804 -0.696 -4.934 554 1HB GLU 76 2HB GLU 76 -2.958 -3.286 -6.257 555 2HB GLU 76 1HB GLU 76 -2.221 -2.537 -4.841 556 1HG GLU 76 2HG GLU 76 -4.323 -2.821 -3.582 557 2HG GLU 76 1HG GLU 76 -5.083 -3.544 -5.000 558 H PHE 77 H PHE 77 -3.768 -1.441 -8.343 559 HA PHE 77 HA PHE 77 -1.140 -0.653 -9.000 560 1HB PHE 77 2HB PHE 77 -3.144 -1.793 -10.387 561 2HB PHE 77 1HB PHE 77 -3.346 -0.136 -10.932 562 HD1 PHE 77 HD1 PHE 77 -2.795 -0.943 -13.208 563 HD2 PHE 77 HD2 PHE 77 0.052 -1.173 -9.989 564 HE1 PHE 77 HE1 PHE 77 -0.962 -1.264 -14.837 565 HE2 PHE 77 HE2 PHE 77 1.874 -1.482 -11.626 566 HZ PHE 77 HZ PHE 77 1.372 -1.533 -14.054 567 H LEU 78 H LEU 78 -4.220 1.148 -9.130 568 HA LEU 78 HA LEU 78 -2.990 3.637 -9.858 569 1HB LEU 78 2HB LEU 78 -5.723 2.788 -8.999 570 2HB LEU 78 1HB LEU 78 -5.315 4.493 -8.960 571 HG LEU 78 HG LEU 78 -4.932 4.515 -11.347 572 1HD1 LEU 78 1HD1 LEU 78 -3.906 2.225 -11.445 573 2HD1 LEU 78 2HD1 LEU 78 -5.080 2.530 -12.722 574 3HD1 LEU 78 3HD1 LEU 78 -5.529 1.546 -11.329 575 1HD2 LEU 78 1HD2 LEU 78 -7.190 3.759 -12.144 576 2HD2 LEU 78 2HD2 LEU 78 -7.258 4.739 -10.679 577 3HD2 LEU 78 3HD2 LEU 78 -7.435 2.988 -10.576 578 H VAL 79 H VAL 79 -3.751 2.039 -6.839 579 HA VAL 79 HA VAL 79 -3.668 4.253 -5.088 580 HB VAL 79 HB VAL 79 -3.370 1.298 -4.824 581 1HG1 VAL 79 1HG1 VAL 79 -2.533 3.239 -2.649 582 2HG1 VAL 79 2HG1 VAL 79 -1.476 2.101 -3.487 583 3HG1 VAL 79 3HG1 VAL 79 -2.760 1.502 -2.436 584 1HG2 VAL 79 1HG2 VAL 79 -5.225 1.544 -3.365 585 2HG2 VAL 79 2HG2 VAL 79 -5.516 2.709 -4.657 586 3HG2 VAL 79 3HG2 VAL 79 -4.893 3.256 -3.100 587 H MET 80 H MET 80 -1.125 2.027 -6.196 588 HA MET 80 HA MET 80 1.061 2.885 -4.772 589 1HB MET 80 2HB MET 80 0.652 1.278 -7.014 590 2HB MET 80 1HB MET 80 1.764 2.529 -7.572 591 1HG MET 80 2HG MET 80 3.319 2.045 -5.796 592 2HG MET 80 1HG MET 80 2.165 0.970 -5.008 593 1HE MET 80 1HE MET 80 3.941 1.960 -7.978 594 2HE MET 80 2HE MET 80 3.242 0.858 -9.162 595 3HE MET 80 3HE MET 80 4.850 0.541 -8.516 596 H MET 81 H MET 81 -0.544 4.575 -7.427 597 HA MET 81 HA MET 81 1.538 6.427 -8.000 598 1HB MET 81 2HB MET 81 -0.364 6.070 -9.531 599 2HB MET 81 1HB MET 81 -1.454 6.777 -8.342 600 1HG MET 81 2HG MET 81 -0.699 8.379 -10.149 601 2HG MET 81 1HG MET 81 -0.366 8.923 -8.507 602 1HE MET 81 1HE MET 81 2.522 7.373 -11.685 603 2HE MET 81 2HE MET 81 0.761 7.394 -11.691 604 3HE MET 81 3HE MET 81 1.615 6.174 -10.753 605 H VAL 82 H VAL 82 -1.438 6.804 -6.038 606 HA VAL 82 HA VAL 82 -0.714 9.359 -5.003 607 HB VAL 82 HB VAL 82 -2.475 8.931 -3.284 608 1HG1 VAL 82 1HG1 VAL 82 -3.294 9.947 -5.236 609 2HG1 VAL 82 2HG1 VAL 82 -4.325 8.526 -5.071 610 3HG1 VAL 82 3HG1 VAL 82 -2.989 8.516 -6.221 611 1HG2 VAL 82 1HG2 VAL 82 -3.769 6.889 -3.350 612 2HG2 VAL 82 2HG2 VAL 82 -2.073 6.441 -3.170 613 3HG2 VAL 82 3HG2 VAL 82 -2.860 6.301 -4.743 614 H ARG 83 H ARG 83 0.044 6.085 -4.050 615 HA ARG 83 HA ARG 83 0.851 6.512 -1.381 616 1HB ARG 83 2HB ARG 83 1.713 4.496 -3.456 617 2HB ARG 83 1HB ARG 83 2.353 4.491 -1.812 618 1HG ARG 83 2HG ARG 83 -0.456 4.748 -1.566 619 2HG ARG 83 1HG ARG 83 -0.179 3.486 -2.766 620 1HD ARG 83 2HD ARG 83 1.118 2.188 -1.265 621 2HD ARG 83 1HD ARG 83 1.327 3.536 -0.152 622 HE ARG 83 HE ARG 83 -1.437 2.767 -0.487 623 1HH1 ARG 83 2HH1 ARG 83 1.547 2.096 1.201 624 2HH1 ARG 83 1HH1 ARG 83 0.759 1.382 2.566 625 1HH2 ARG 83 1HH2 ARG 83 -2.448 1.828 1.312 626 2HH2 ARG 83 2HH2 ARG 83 -1.497 1.229 2.629 627 H CYS 84 H CYS 84 2.351 7.374 -4.400 628 HA CYS 84 HA CYS 84 5.041 7.597 -3.460 629 1HB CYS 84 2HB CYS 84 4.176 7.526 -5.909 630 2HB CYS 84 1HB CYS 84 3.910 9.257 -5.703 631 HG CYS 84 HG CYS 84 6.328 9.534 -6.134 632 H MET 85 H MET 85 2.222 9.706 -3.421 633 HA MET 85 HA MET 85 3.795 11.995 -2.494 634 1HB MET 85 2HB MET 85 1.662 11.980 -4.089 635 2HB MET 85 1HB MET 85 0.809 12.042 -2.547 636 1HG MET 85 2HG MET 85 3.118 13.901 -2.917 637 2HG MET 85 1HG MET 85 1.629 14.267 -3.788 638 1HE MET 85 1HE MET 85 3.271 15.794 -1.340 639 2HE MET 85 2HE MET 85 3.550 14.241 -0.557 640 3HE MET 85 3HE MET 85 2.626 15.487 0.278 641 H LYS 86 H LYS 86 0.944 10.153 -1.339 642 HA LYS 86 HA LYS 86 1.410 11.098 1.389 643 1HB LYS 86 2HB LYS 86 -0.906 10.891 0.249 644 2HB LYS 86 1HB LYS 86 -0.742 9.163 0.561 645 1HG LYS 86 2HG LYS 86 -0.773 9.439 2.880 646 2HG LYS 86 1HG LYS 86 -0.244 11.119 2.787 647 1HD LYS 86 2HD LYS 86 -2.877 10.365 1.568 648 2HD LYS 86 1HD LYS 86 -2.769 10.545 3.319 649 1HE LYS 86 2HE LYS 86 -1.614 12.803 2.832 650 2HE LYS 86 1HE LYS 86 -2.232 12.619 1.190 651 1HZ LYS 86 1HZ LYS 86 -3.943 12.462 3.610 652 2HZ LYS 86 2HZ LYS 86 -4.447 12.555 1.990 653 3HZ LYS 86 3HZ LYS 86 -3.700 13.889 2.728 654 H ASP 87 H ASP 87 1.639 9.673 3.169 655 HA ASP 87 HA ASP 87 2.411 7.832 4.314 656 1HB ASP 87 2HB ASP 87 0.758 6.632 2.705 657 2HB ASP 87 1HB ASP 87 2.205 6.156 1.819 658 H ASP 88 H ASP 88 4.259 9.563 3.518 659 HA ASP 88 HA ASP 88 6.524 9.802 3.290 660 1HB ASP 88 2HB ASP 88 6.640 7.650 4.594 661 2HB ASP 88 1HB ASP 88 6.693 6.789 3.056 662 H SER 89 HN SER 89 7.337 10.637 1.508 663 HA SER 89 HA SER 89 6.620 9.541 -1.091 664 1HB SER 89 2HB SER 89 8.193 11.996 -0.293 665 2HB SER 89 1HB SER 89 7.897 11.526 -1.963 666 HG SER 89 HG SER 89 5.759 11.874 -1.686 Start of MODEL 19 1 1H MET 1 1H MET 1 -3.936 7.530 11.695 2 2H MET 1 2H MET 1 -3.466 8.574 10.439 3 3H MET 1 3H MET 1 -3.126 6.912 10.340 4 HA MET 1 HA MET 1 -5.563 6.474 10.357 5 1HB MET 1 2HB MET 1 -5.503 9.473 10.372 6 2HB MET 1 1HB MET 1 -6.791 8.656 9.486 7 1HG MET 1 2HG MET 1 -6.174 7.743 12.272 8 2HG MET 1 1HG MET 1 -7.081 9.239 12.057 9 1HE MET 1 1HE MET 1 -9.012 9.628 11.129 10 2HE MET 1 2HE MET 1 -9.847 8.777 12.425 11 3HE MET 1 3HE MET 1 -10.336 8.518 10.752 12 H ASN 2 H ASN 2 -4.118 9.120 8.417 13 HA ASN 2 HA ASN 2 -3.693 9.338 6.177 14 1HB ASN 2 2HB ASN 2 -3.343 6.354 6.489 15 2HB ASN 2 1HB ASN 2 -3.051 7.191 4.964 16 1HD2 ASN 2 1HD2 ASN 2 -1.538 9.248 5.276 17 2HD2 ASN 2 2HD2 ASN 2 -0.205 9.019 6.302 18 H ASP 3 H ASP 3 -5.997 10.010 6.103 19 HA ASP 3 HA ASP 3 -7.775 8.091 4.760 20 1HB ASP 3 2HB ASP 3 -8.211 10.729 6.134 21 2HB ASP 3 1HB ASP 3 -9.415 10.097 5.008 22 H ILE 4 H ILE 4 -5.854 10.928 4.147 23 HA ILE 4 HA ILE 4 -7.091 11.951 1.854 24 HB ILE 4 HB ILE 4 -4.825 12.829 1.245 25 1HG1 ILE 4 2HG1 ILE 4 -3.224 12.395 3.385 26 2HG1 ILE 4 1HG1 ILE 4 -4.062 10.844 3.334 27 1HG2 ILE 4 1HG2 ILE 4 -6.430 13.876 2.942 28 2HG2 ILE 4 2HG2 ILE 4 -4.740 14.365 3.063 29 3HG2 ILE 4 3HG2 ILE 4 -5.399 13.182 4.192 30 1HD1 ILE 4 1HD1 ILE 4 -1.891 11.107 1.933 31 2HD1 ILE 4 2HD1 ILE 4 -2.899 12.044 0.830 32 3HD1 ILE 4 3HD1 ILE 4 -3.291 10.358 1.167 33 H TYR 5 H TYR 5 -5.083 9.109 2.247 34 HA TYR 5 HA TYR 5 -4.241 8.646 -0.381 35 1HB TYR 5 2HB TYR 5 -4.909 6.828 1.916 36 2HB TYR 5 1HB TYR 5 -4.528 6.146 0.337 37 HD1 TYR 5 HD1 TYR 5 -2.295 5.730 -0.196 38 HD2 TYR 5 HD2 TYR 5 -3.228 8.701 2.763 39 HE1 TYR 5 HE1 TYR 5 0.122 6.042 0.257 40 HE2 TYR 5 HE2 TYR 5 -0.818 9.017 3.208 41 HH TYR 5 HH TYR 5 1.384 7.186 2.786 42 H LYS 6 H LYS 6 -7.305 7.863 1.209 43 HA LYS 6 HA LYS 6 -8.412 6.566 -1.136 44 1HB LYS 6 2HB LYS 6 -9.261 7.040 1.656 45 2HB LYS 6 1HB LYS 6 -10.563 6.995 0.468 46 1HG LYS 6 2HG LYS 6 -10.296 4.736 1.141 47 2HG LYS 6 1HG LYS 6 -9.459 4.839 -0.407 48 1HD LYS 6 2HD LYS 6 -7.796 3.808 0.801 49 2HD LYS 6 1HD LYS 6 -7.406 5.479 1.204 50 1HE LYS 6 2HE LYS 6 -8.246 5.307 3.350 51 2HE LYS 6 1HE LYS 6 -9.426 4.076 2.903 52 1HZ LYS 6 1HZ LYS 6 -7.603 3.192 4.258 53 2HZ LYS 6 2HZ LYS 6 -6.491 3.639 3.053 54 3HZ LYS 6 3HZ LYS 6 -7.671 2.460 2.730 55 H ALA 7 H ALA 7 -8.316 9.791 0.160 56 HA ALA 7 HA ALA 7 -10.650 10.819 -1.110 57 1HB ALA 7 1HB ALA 7 -8.208 12.464 -0.483 58 2HB ALA 7 2HB ALA 7 -9.263 11.870 0.798 59 3HB ALA 7 3HB ALA 7 -9.904 12.947 -0.442 60 H ALA 8 H ALA 8 -7.274 10.450 -2.121 61 HA ALA 8 HA ALA 8 -7.533 12.031 -4.505 62 1HB ALA 8 1HB ALA 8 -5.467 9.914 -4.383 63 2HB ALA 8 2HB ALA 8 -5.398 11.147 -3.125 64 3HB ALA 8 3HB ALA 8 -5.315 11.616 -4.823 65 H VAL 9 H VAL 9 -7.543 8.537 -3.811 66 HA VAL 9 HA VAL 9 -7.829 7.694 -6.503 67 HB VAL 9 HB VAL 9 -7.126 6.233 -4.576 68 1HG1 VAL 9 1HG1 VAL 9 -8.909 5.179 -3.239 69 2HG1 VAL 9 2HG1 VAL 9 -10.106 6.219 -4.010 70 3HG1 VAL 9 3HG1 VAL 9 -8.863 6.920 -2.976 71 1HG2 VAL 9 1HG2 VAL 9 -8.102 5.496 -6.896 72 2HG2 VAL 9 2HG2 VAL 9 -9.508 5.004 -5.949 73 3HG2 VAL 9 3HG2 VAL 9 -7.929 4.290 -5.620 74 H GLU 10 H GLU 10 -10.084 9.021 -4.225 75 HA GLU 10 HA GLU 10 -12.446 8.034 -5.580 76 1HB GLU 10 2HB GLU 10 -11.909 9.795 -3.227 77 2HB GLU 10 1HB GLU 10 -13.473 9.928 -4.032 78 1HG GLU 10 2HG GLU 10 -13.869 7.536 -3.746 79 2HG GLU 10 1HG GLU 10 -12.268 7.330 -3.036 80 H GLN 11 H GLN 11 -10.284 10.708 -5.951 81 HA GLN 11 HA GLN 11 -12.139 11.880 -7.928 82 1HB GLN 11 2HB GLN 11 -11.530 14.134 -7.252 83 2HB GLN 11 1HB GLN 11 -12.176 13.262 -5.864 84 1HG GLN 11 2HG GLN 11 -9.602 12.656 -5.498 85 2HG GLN 11 1HG GLN 11 -9.368 14.144 -6.412 86 1HE2 GLN 11 1HE2 GLN 11 -8.559 14.111 -3.726 87 2HE2 GLN 11 2HE2 GLN 11 -9.614 15.065 -2.800 88 H LEU 12 H LEU 12 -9.855 10.058 -8.224 89 HA LEU 12 HA LEU 12 -7.570 11.496 -9.156 90 1HB LEU 12 2HB LEU 12 -7.211 9.261 -10.475 91 2HB LEU 12 1HB LEU 12 -6.984 9.330 -8.745 92 HG LEU 12 HG LEU 12 -9.058 8.199 -8.351 93 1HD1 LEU 12 1HD1 LEU 12 -9.555 8.773 -11.266 94 2HD1 LEU 12 2HD1 LEU 12 -10.599 9.101 -9.882 95 3HD1 LEU 12 3HD1 LEU 12 -10.388 7.447 -10.457 96 1HD2 LEU 12 1HD2 LEU 12 -7.510 6.990 -10.657 97 2HD2 LEU 12 2HD2 LEU 12 -8.712 6.106 -9.718 98 3HD2 LEU 12 3HD2 LEU 12 -7.251 6.708 -8.936 99 H THR 13 H THR 13 -6.801 11.153 -11.519 100 HA THR 13 HA THR 13 -8.910 12.248 -13.246 101 HB THR 13 HB THR 13 -6.676 12.355 -14.779 102 HG1 THR 13 HG1 THR 13 -5.213 11.632 -13.374 103 1HG2 THR 13 1HG2 THR 13 -7.775 14.356 -14.560 104 2HG2 THR 13 2HG2 THR 13 -6.395 14.683 -13.512 105 3HG2 THR 13 3HG2 THR 13 -7.940 14.200 -12.811 106 H ASP 14 H ASP 14 -8.960 11.564 -15.508 107 HA ASP 14 HA ASP 14 -9.234 8.726 -15.743 108 1HB ASP 14 2HB ASP 14 -10.476 10.641 -17.028 109 2HB ASP 14 1HB ASP 14 -9.096 10.545 -18.123 110 H GLU 15 H GLU 15 -6.764 11.076 -16.577 111 HA GLU 15 HA GLU 15 -5.231 9.424 -18.324 112 1HB GLU 15 2HB GLU 15 -4.790 11.975 -16.853 113 2HB GLU 15 1HB GLU 15 -3.354 11.077 -17.349 114 1HG GLU 15 2HG GLU 15 -4.472 10.917 -19.667 115 2HG GLU 15 1HG GLU 15 -5.561 12.179 -19.091 116 H GLN 16 H GLN 16 -5.246 9.956 -14.832 117 HA GLN 16 HA GLN 16 -2.882 8.575 -14.153 118 1HB GLN 16 2HB GLN 16 -5.237 9.593 -12.758 119 2HB GLN 16 1HB GLN 16 -4.638 8.092 -12.053 120 1HG GLN 16 2HG GLN 16 -2.470 9.009 -11.688 121 2HG GLN 16 1HG GLN 16 -2.806 10.402 -12.716 122 1HE2 GLN 16 1HE2 GLN 16 -4.721 8.918 -10.034 123 2HE2 GLN 16 2HE2 GLN 16 -4.842 10.354 -9.140 124 H LYS 17 H LYS 17 -6.228 7.480 -14.529 125 HA LYS 17 HA LYS 17 -5.785 4.779 -13.758 126 1HB LYS 17 2HB LYS 17 -7.945 6.006 -15.493 127 2HB LYS 17 1HB LYS 17 -7.960 4.345 -14.901 128 1HG LYS 17 2HG LYS 17 -8.517 4.968 -12.780 129 2HG LYS 17 1HG LYS 17 -7.492 6.403 -12.825 130 1HD LYS 17 2HD LYS 17 -9.713 7.245 -12.747 131 2HD LYS 17 1HD LYS 17 -9.230 7.396 -14.435 132 1HE LYS 17 2HE LYS 17 -11.340 6.409 -14.630 133 2HE LYS 17 1HE LYS 17 -10.279 5.002 -14.673 134 1HZ LYS 17 1HZ LYS 17 -12.142 4.715 -13.138 135 2HZ LYS 17 2HZ LYS 17 -11.623 6.059 -12.241 136 3HZ LYS 17 3HZ LYS 17 -10.656 4.665 -12.326 137 H ASN 18 H ASN 18 -5.610 6.507 -16.842 138 HA ASN 18 HA ASN 18 -5.387 4.201 -18.502 139 1HB ASN 18 2HB ASN 18 -4.679 7.103 -18.888 140 2HB ASN 18 1HB ASN 18 -4.296 5.898 -20.115 141 1HD2 ASN 18 1HD2 ASN 18 -6.514 8.174 -19.687 142 2HD2 ASN 18 2HD2 ASN 18 -7.914 7.391 -20.243 143 H GLU 19 H GLU 19 -3.026 6.097 -16.691 144 HA GLU 19 HA GLU 19 -0.659 5.213 -17.941 145 1HB GLU 19 2HB GLU 19 -0.837 5.634 -14.958 146 2HB GLU 19 1HB GLU 19 0.529 5.935 -16.029 147 1HG GLU 19 2HG GLU 19 -1.269 7.586 -17.159 148 2HG GLU 19 1HG GLU 19 -1.873 7.598 -15.501 149 H PHE 20 H PHE 20 -2.547 3.831 -15.288 150 HA PHE 20 HA PHE 20 -0.775 1.525 -15.079 151 1HB PHE 20 2HB PHE 20 -3.214 2.435 -13.570 152 2HB PHE 20 1HB PHE 20 -2.486 0.854 -13.311 153 HD1 PHE 20 HD1 PHE 20 -2.144 4.458 -12.806 154 HD2 PHE 20 HD2 PHE 20 -0.152 0.663 -12.466 155 HE1 PHE 20 HE1 PHE 20 -0.456 5.476 -11.302 156 HE2 PHE 20 HE2 PHE 20 1.527 1.678 -10.957 157 HZ PHE 20 HZ PHE 20 1.380 4.086 -10.377 158 H LYS 21 H LYS 21 -4.181 2.176 -15.954 159 HA LYS 21 HA LYS 21 -5.057 -0.431 -16.341 160 1HB LYS 21 2HB LYS 21 -6.528 1.545 -16.422 161 2HB LYS 21 1HB LYS 21 -5.839 1.985 -17.983 162 1HG LYS 21 2HG LYS 21 -6.775 -0.803 -17.849 163 2HG LYS 21 1HG LYS 21 -8.058 0.386 -17.630 164 1HD LYS 21 2HD LYS 21 -6.053 0.555 -19.892 165 2HD LYS 21 1HD LYS 21 -7.588 -0.299 -20.044 166 1HE LYS 21 2HE LYS 21 -8.605 1.945 -19.118 167 2HE LYS 21 1HE LYS 21 -7.089 2.642 -19.687 168 1HZ LYS 21 1HZ LYS 21 -7.529 1.669 -21.873 169 2HZ LYS 21 2HZ LYS 21 -8.753 2.750 -21.406 170 3HZ LYS 21 3HZ LYS 21 -9.017 1.073 -21.315 171 H ALA 22 H ALA 22 -3.158 1.602 -18.530 172 HA ALA 22 HA ALA 22 -3.363 0.004 -20.850 173 1HB ALA 22 1HB ALA 22 -1.315 1.123 -21.589 174 2HB ALA 22 2HB ALA 22 -1.009 1.681 -19.943 175 3HB ALA 22 3HB ALA 22 -2.401 2.292 -20.837 176 H ALA 23 H ALA 23 -0.828 0.091 -18.349 177 HA ALA 23 HA ALA 23 0.593 -2.183 -19.311 178 1HB ALA 23 1HB ALA 23 2.029 -1.802 -17.568 179 2HB ALA 23 2HB ALA 23 0.725 -1.506 -16.416 180 3HB ALA 23 3HB ALA 23 1.209 -0.242 -17.547 181 H PHE 24 H PHE 24 -1.975 -1.683 -16.960 182 HA PHE 24 HA PHE 24 -2.004 -4.221 -15.742 183 1HB PHE 24 2HB PHE 24 -3.292 -2.074 -15.097 184 2HB PHE 24 1HB PHE 24 -4.492 -2.602 -16.273 185 HD1 PHE 24 HD1 PHE 24 -5.478 -4.959 -16.018 186 HD2 PHE 24 HD2 PHE 24 -3.237 -2.999 -12.927 187 HE1 PHE 24 HE1 PHE 24 -6.445 -6.501 -14.339 188 HE2 PHE 24 HE2 PHE 24 -4.202 -4.536 -11.246 189 HZ PHE 24 HZ PHE 24 -5.807 -6.286 -11.950 190 H ASP 25 H ASP 25 -3.751 -2.986 -18.599 191 HA ASP 25 HA ASP 25 -5.273 -5.313 -19.097 192 1HB ASP 25 2HB ASP 25 -4.538 -2.886 -20.630 193 2HB ASP 25 1HB ASP 25 -5.046 -4.285 -21.575 194 H ILE 26 H ILE 26 -2.035 -4.380 -20.223 195 HA ILE 26 HA ILE 26 -1.811 -6.647 -21.992 196 HB ILE 26 HB ILE 26 0.561 -5.955 -22.236 197 1HG1 ILE 26 2HG1 ILE 26 -0.192 -3.728 -20.312 198 2HG1 ILE 26 1HG1 ILE 26 0.823 -5.105 -19.886 199 1HG2 ILE 26 1HG2 ILE 26 -1.281 -4.947 -23.588 200 2HG2 ILE 26 2HG2 ILE 26 0.072 -3.842 -23.347 201 3HG2 ILE 26 3HG2 ILE 26 -1.403 -3.650 -22.398 202 1HD1 ILE 26 1HD1 ILE 26 2.629 -4.216 -20.906 203 2HD1 ILE 26 2HD1 ILE 26 1.720 -2.704 -20.941 204 3HD1 ILE 26 3HD1 ILE 26 1.702 -3.778 -22.341 205 H PHE 27 H PHE 27 -0.711 -5.915 -18.695 206 HA PHE 27 HA PHE 27 0.918 -8.268 -18.489 207 1HB PHE 27 2HB PHE 27 -0.159 -6.387 -16.381 208 2HB PHE 27 1HB PHE 27 0.909 -7.746 -16.024 209 HD1 PHE 27 HD1 PHE 27 2.700 -7.750 -18.379 210 HD2 PHE 27 HD2 PHE 27 1.197 -4.462 -16.057 211 HE1 PHE 27 HE1 PHE 27 4.646 -6.379 -19.061 212 HE2 PHE 27 HE2 PHE 27 3.144 -3.092 -16.749 213 HZ PHE 27 HZ PHE 27 4.868 -4.050 -18.246 214 H ILE 28 H ILE 28 -2.472 -7.562 -17.774 215 HA ILE 28 HA ILE 28 -2.792 -10.237 -16.585 216 HB ILE 28 HB ILE 28 -5.013 -9.580 -15.945 217 1HG1 ILE 28 2HG1 ILE 28 -5.454 -6.969 -16.598 218 2HG1 ILE 28 1HG1 ILE 28 -4.605 -7.525 -18.043 219 1HG2 ILE 28 1HG2 ILE 28 -3.358 -7.100 -15.498 220 2HG2 ILE 28 2HG2 ILE 28 -2.948 -8.631 -14.727 221 3HG2 ILE 28 3HG2 ILE 28 -4.505 -7.871 -14.403 222 1HD1 ILE 28 1HD1 ILE 28 -6.261 -9.038 -18.605 223 2HD1 ILE 28 2HD1 ILE 28 -7.240 -7.800 -17.816 224 3HD1 ILE 28 3HD1 ILE 28 -6.777 -9.255 -16.932 225 H GLN 29 H GLN 29 -2.480 -9.272 -19.612 226 HA GLN 29 HA GLN 29 -4.709 -9.916 -21.107 227 1HB GLN 29 2HB GLN 29 -2.679 -9.035 -22.116 228 2HB GLN 29 1HB GLN 29 -1.806 -10.514 -21.715 229 1HG GLN 29 2HG GLN 29 -3.242 -11.818 -23.179 230 2HG GLN 29 1HG GLN 29 -4.249 -10.406 -23.505 231 1HE2 GLN 29 1HE2 GLN 29 -2.819 -8.418 -24.347 232 2HE2 GLN 29 2HE2 GLN 29 -1.667 -8.820 -25.527 233 H ASP 30 H ASP 30 -2.326 -12.111 -19.676 234 HA ASP 30 HA ASP 30 -3.829 -14.440 -20.680 235 1HB ASP 30 2HB ASP 30 -1.069 -14.181 -19.472 236 2HB ASP 30 1HB ASP 30 -1.830 -15.730 -19.839 237 H ALA 31 H ALA 31 -4.441 -12.585 -18.251 238 HA ALA 31 HA ALA 31 -4.451 -14.602 -16.113 239 1HB ALA 31 1HB ALA 31 -4.973 -12.789 -14.606 240 2HB ALA 31 2HB ALA 31 -5.240 -11.685 -15.955 241 3HB ALA 31 3HB ALA 31 -3.618 -12.288 -15.616 242 H GLU 32 H GLU 32 -6.372 -15.063 -14.965 243 HA GLU 32 HA GLU 32 -8.880 -14.444 -16.407 244 1HB GLU 32 2HB GLU 32 -9.667 -16.748 -15.768 245 2HB GLU 32 1HB GLU 32 -8.364 -16.733 -16.952 246 1HG GLU 32 2HG GLU 32 -7.520 -16.816 -14.105 247 2HG GLU 32 1HG GLU 32 -8.315 -18.266 -14.714 248 H ASP 33 H ASP 33 -7.902 -12.957 -14.261 249 HA ASP 33 HA ASP 33 -9.983 -13.484 -12.255 250 1HB ASP 33 2HB ASP 33 -7.609 -14.362 -11.578 251 2HB ASP 33 1HB ASP 33 -7.266 -12.654 -11.297 252 H GLY 34 H GLY 34 -7.405 -11.253 -13.293 253 1HA GLY 34 2HA GLY 34 -8.083 -9.003 -14.034 254 2HA GLY 34 1HA GLY 34 -9.220 -8.989 -12.689 255 H CYS 35 H CYS 35 -5.856 -10.103 -12.715 256 HA CYS 35 HA CYS 35 -4.966 -7.792 -11.153 257 1HB CYS 35 2HB CYS 35 -4.467 -10.582 -10.107 258 2HB CYS 35 1HB CYS 35 -4.154 -9.047 -9.300 259 HG CYS 35 HG CYS 35 -6.412 -9.325 -8.326 260 H ILE 36 H ILE 36 -2.729 -7.457 -11.269 261 HA ILE 36 HA ILE 36 -1.399 -8.955 -13.411 262 HB ILE 36 HB ILE 36 0.261 -7.222 -13.451 263 1HG1 ILE 36 2HG1 ILE 36 -0.440 -5.282 -11.608 264 2HG1 ILE 36 1HG1 ILE 36 -0.672 -6.774 -10.697 265 1HG2 ILE 36 1HG2 ILE 36 -1.604 -6.453 -14.639 266 2HG2 ILE 36 2HG2 ILE 36 -1.292 -5.128 -13.518 267 3HG2 ILE 36 3HG2 ILE 36 -2.585 -6.281 -13.185 268 1HD1 ILE 36 1HD1 ILE 36 1.644 -5.962 -10.459 269 2HD1 ILE 36 2HD1 ILE 36 1.845 -6.003 -12.211 270 3HD1 ILE 36 3HD1 ILE 36 1.612 -7.502 -11.313 271 H SER 37 H SER 37 1.041 -9.328 -13.029 272 HA SER 37 HA SER 37 1.257 -10.925 -10.584 273 1HB SER 37 2HB SER 37 2.025 -11.454 -13.147 274 2HB SER 37 1HB SER 37 3.536 -10.873 -12.459 275 HG SER 37 HG SER 37 2.038 -13.137 -11.871 276 H THR 38 H THR 38 1.987 -9.912 -8.830 277 HA THR 38 HA THR 38 3.360 -7.486 -8.691 278 HB THR 38 HB THR 38 4.013 -8.164 -6.396 279 HG1 THR 38 HG1 THR 38 4.378 -10.234 -6.261 280 1HG2 THR 38 1HG2 THR 38 1.631 -8.773 -5.648 281 2HG2 THR 38 2HG2 THR 38 1.215 -8.724 -7.361 282 3HG2 THR 38 3HG2 THR 38 1.826 -7.277 -6.561 283 H LYS 39 H LYS 39 4.606 -10.786 -8.957 284 HA LYS 39 HA LYS 39 7.348 -10.185 -8.557 285 1HB LYS 39 2HB LYS 39 7.791 -12.339 -9.715 286 2HB LYS 39 1HB LYS 39 6.578 -12.489 -8.446 287 1HG LYS 39 2HG LYS 39 5.141 -11.817 -10.778 288 2HG LYS 39 1HG LYS 39 6.322 -13.025 -11.284 289 1HD LYS 39 2HD LYS 39 4.592 -13.380 -8.827 290 2HD LYS 39 1HD LYS 39 4.091 -13.932 -10.424 291 1HE LYS 39 2HE LYS 39 6.343 -15.168 -10.525 292 2HE LYS 39 1HE LYS 39 6.460 -14.855 -8.793 293 1HZ LYS 39 1HZ LYS 39 4.285 -16.322 -10.186 294 2HZ LYS 39 2HZ LYS 39 4.279 -15.933 -8.531 295 3HZ LYS 39 3HZ LYS 39 5.455 -16.987 -9.155 296 H GLU 40 H GLU 40 5.234 -9.782 -11.305 297 HA GLU 40 HA GLU 40 7.501 -9.234 -13.098 298 1HB GLU 40 2HB GLU 40 4.543 -9.590 -13.594 299 2HB GLU 40 1HB GLU 40 5.669 -9.048 -14.838 300 1HG GLU 40 2HG GLU 40 6.944 -11.089 -14.684 301 2HG GLU 40 1HG GLU 40 6.045 -11.606 -13.257 302 H LEU 41 H LEU 41 6.178 -7.451 -10.821 303 HA LEU 41 HA LEU 41 5.048 -5.164 -11.969 304 1HB LEU 41 2HB LEU 41 5.684 -5.918 -9.437 305 2HB LEU 41 1HB LEU 41 6.902 -4.700 -9.723 306 HG LEU 41 HG LEU 41 4.954 -3.751 -8.596 307 1HD1 LEU 41 1HD1 LEU 41 5.040 -2.839 -11.481 308 2HD1 LEU 41 2HD1 LEU 41 6.240 -2.396 -10.270 309 3HD1 LEU 41 3HD1 LEU 41 4.565 -1.876 -10.082 310 1HD2 LEU 41 1HD2 LEU 41 3.292 -5.374 -9.515 311 2HD2 LEU 41 2HD2 LEU 41 3.405 -4.561 -11.077 312 3HD2 LEU 41 3HD2 LEU 41 2.765 -3.699 -9.679 313 H GLY 42 H GLY 42 8.393 -6.219 -11.862 314 1HA GLY 42 2HA GLY 42 9.761 -3.823 -12.283 315 2HA GLY 42 1HA GLY 42 10.300 -5.397 -12.852 316 H LYS 43 H LYS 43 7.783 -5.676 -14.498 317 HA LYS 43 HA LYS 43 8.801 -4.414 -16.885 318 1HB LYS 43 2HB LYS 43 7.661 -6.759 -16.563 319 2HB LYS 43 1HB LYS 43 6.173 -5.836 -16.765 320 1HG LYS 43 2HG LYS 43 6.505 -5.664 -18.970 321 2HG LYS 43 1HG LYS 43 8.126 -5.021 -18.731 322 1HD LYS 43 2HD LYS 43 8.533 -7.639 -18.105 323 2HD LYS 43 1HD LYS 43 7.262 -7.793 -19.319 324 1HE LYS 43 2HE LYS 43 8.559 -6.738 -20.985 325 2HE LYS 43 1HE LYS 43 9.659 -6.027 -19.804 326 1HZ LYS 43 1HZ LYS 43 10.669 -7.906 -20.932 327 2HZ LYS 43 2HZ LYS 43 9.411 -8.924 -20.416 328 3HZ LYS 43 3HZ LYS 43 10.473 -8.239 -19.280 329 H VAL 44 H VAL 44 6.327 -3.714 -14.537 330 HA VAL 44 HA VAL 44 4.973 -1.847 -16.340 331 HB VAL 44 HB VAL 44 3.126 -2.098 -15.092 332 1HG1 VAL 44 1HG1 VAL 44 4.330 -4.429 -14.947 333 2HG1 VAL 44 2HG1 VAL 44 2.879 -4.125 -13.994 334 3HG1 VAL 44 3HG1 VAL 44 4.469 -4.030 -13.236 335 1HG2 VAL 44 1HG2 VAL 44 4.928 -1.529 -12.739 336 2HG2 VAL 44 2HG2 VAL 44 3.240 -1.977 -12.512 337 3HG2 VAL 44 3HG2 VAL 44 3.649 -0.520 -13.416 338 H MET 45 H MET 45 7.055 -1.842 -13.479 339 HA MET 45 HA MET 45 6.848 0.875 -12.807 340 1HB MET 45 2HB MET 45 9.097 0.646 -11.794 341 2HB MET 45 1HB MET 45 8.035 -0.687 -11.348 342 1HG MET 45 2HG MET 45 9.061 -2.091 -13.103 343 2HG MET 45 1HG MET 45 10.132 -0.761 -13.541 344 1HE MET 45 1HE MET 45 11.957 -2.954 -13.092 345 2HE MET 45 2HE MET 45 13.036 -2.228 -11.903 346 3HE MET 45 3HE MET 45 12.321 -1.225 -13.163 347 H ARG 46 H ARG 46 8.763 -0.770 -15.273 348 HA ARG 46 HA ARG 46 10.210 1.594 -16.071 349 1HB ARG 46 2HB ARG 46 10.960 0.248 -17.978 350 2HB ARG 46 1HB ARG 46 11.126 -0.660 -16.476 351 1HG ARG 46 2HG ARG 46 9.130 -1.932 -16.934 352 2HG ARG 46 1HG ARG 46 8.729 -0.909 -18.313 353 1HD ARG 46 2HD ARG 46 11.256 -1.716 -18.970 354 2HD ARG 46 1HD ARG 46 10.659 -3.134 -18.113 355 HE ARG 46 HE ARG 46 8.631 -2.490 -19.851 356 1HH1 ARG 46 2HH1 ARG 46 12.045 -3.163 -20.150 357 2HH1 ARG 46 1HH1 ARG 46 11.905 -3.802 -21.751 358 1HH2 ARG 46 1HH2 ARG 46 8.474 -3.330 -21.951 359 2HH2 ARG 46 2HH2 ARG 46 9.890 -3.896 -22.768 360 H MET 47 H MET 47 7.186 0.056 -16.936 361 HA MET 47 HA MET 47 6.722 1.493 -19.370 362 1HB MET 47 2HB MET 47 5.434 -0.577 -17.919 363 2HB MET 47 1HB MET 47 4.264 0.731 -18.087 364 1HG MET 47 2HG MET 47 4.031 -0.653 -20.030 365 2HG MET 47 1HG MET 47 4.870 0.807 -20.552 366 1HE MET 47 1HE MET 47 7.843 0.728 -20.919 367 2HE MET 47 2HE MET 47 6.403 0.855 -21.928 368 3HE MET 47 3HE MET 47 7.671 -0.293 -22.353 369 H LEU 48 H LEU 48 6.045 2.068 -15.966 370 HA LEU 48 HA LEU 48 4.260 4.287 -16.368 371 1HB LEU 48 2HB LEU 48 5.677 3.055 -14.053 372 2HB LEU 48 1HB LEU 48 5.085 4.690 -13.879 373 HG LEU 48 HG LEU 48 2.828 4.006 -14.071 374 1HD1 LEU 48 1HD1 LEU 48 3.683 1.200 -14.804 375 2HD1 LEU 48 2HD1 LEU 48 3.355 2.421 -16.033 376 3HD1 LEU 48 3HD1 LEU 48 2.078 1.916 -14.927 377 1HD2 LEU 48 1HD2 LEU 48 2.997 1.729 -12.578 378 2HD2 LEU 48 2HD2 LEU 48 3.228 3.350 -11.922 379 3HD2 LEU 48 3HD2 LEU 48 4.626 2.374 -12.375 380 H GLY 49 H GLY 49 7.718 3.859 -16.037 381 1HA GLY 49 2HA GLY 49 9.145 5.568 -17.087 382 2HA GLY 49 1HA GLY 49 8.100 6.782 -16.358 383 H GLN 50 H GLN 50 9.139 3.867 -14.676 384 HA GLN 50 HA GLN 50 10.900 5.517 -12.956 385 1HB GLN 50 2HB GLN 50 9.227 3.182 -12.004 386 2HB GLN 50 1HB GLN 50 10.164 4.301 -11.017 387 1HG GLN 50 2HG GLN 50 7.817 5.127 -12.752 388 2HG GLN 50 1HG GLN 50 7.700 4.793 -11.026 389 1HE2 GLN 50 1HE2 GLN 50 7.803 7.366 -13.017 390 2HE2 GLN 50 2HE2 GLN 50 8.690 8.461 -12.072 391 H ASN 51 H ASN 51 12.703 4.440 -12.023 392 HA ASN 51 HA ASN 51 13.344 1.792 -13.159 393 1HB ASN 51 2HB ASN 51 14.412 3.916 -14.336 394 2HB ASN 51 1HB ASN 51 15.530 3.824 -12.976 395 1HD2 ASN 51 1HD2 ASN 51 17.263 2.405 -13.257 396 2HD2 ASN 51 2HD2 ASN 51 17.297 1.131 -14.378 397 HA PRO 52 HA PRO 52 14.410 2.130 -8.631 398 1HB PRO 52 2HB PRO 52 12.535 0.376 -7.688 399 2HB PRO 52 1HB PRO 52 12.241 2.110 -7.891 400 1HG PRO 52 2HG PRO 52 11.263 -0.163 -9.502 401 2HG PRO 52 1HG PRO 52 10.554 1.441 -9.271 402 1HD PRO 52 2HD PRO 52 12.035 0.550 -11.533 403 2HD PRO 52 1HD PRO 52 11.516 2.215 -11.188 404 H THR 53 H THR 53 14.223 -0.205 -7.121 405 HA THR 53 HA THR 53 16.003 -2.052 -8.596 406 HB THR 53 HB THR 53 17.108 -2.511 -6.591 407 HG1 THR 53 HG1 THR 53 16.131 -2.585 -4.695 408 1HG2 THR 53 1HG2 THR 53 17.593 -0.408 -5.505 409 2HG2 THR 53 2HG2 THR 53 16.073 0.284 -6.073 410 3HG2 THR 53 3HG2 THR 53 17.353 -0.102 -7.225 411 HA PRO 54 HA PRO 54 13.125 -5.374 -8.060 412 1HB PRO 54 2HB PRO 54 14.606 -7.458 -7.073 413 2HB PRO 54 1HB PRO 54 14.696 -6.886 -8.747 414 1HG PRO 54 2HG PRO 54 16.609 -6.484 -6.513 415 2HG PRO 54 1HG PRO 54 16.908 -6.567 -8.255 416 1HD PRO 54 2HD PRO 54 16.811 -4.219 -6.723 417 2HD PRO 54 1HD PRO 54 16.712 -4.296 -8.497 418 H GLU 55 H GLU 55 15.001 -4.590 -5.207 419 HA GLU 55 HA GLU 55 13.228 -5.940 -3.351 420 1HB GLU 55 2HB GLU 55 15.664 -4.213 -3.122 421 2HB GLU 55 1HB GLU 55 14.592 -4.342 -1.727 422 1HG GLU 55 2HG GLU 55 15.379 -6.862 -3.135 423 2HG GLU 55 1HG GLU 55 16.574 -6.082 -2.100 424 H GLU 56 H GLU 56 13.688 -2.741 -4.733 425 HA GLU 56 HA GLU 56 11.907 -1.354 -2.964 426 1HB GLU 56 2HB GLU 56 13.803 -0.456 -4.590 427 2HB GLU 56 1HB GLU 56 12.459 -0.358 -5.727 428 1HG GLU 56 2HG GLU 56 11.276 1.176 -4.387 429 2HG GLU 56 1HG GLU 56 12.206 0.770 -2.943 430 H LEU 57 H LEU 57 11.618 -2.678 -6.274 431 HA LEU 57 HA LEU 57 8.984 -1.824 -6.763 432 1HB LEU 57 2HB LEU 57 8.970 -3.226 -8.611 433 2HB LEU 57 1HB LEU 57 10.657 -2.825 -8.412 434 HG LEU 57 HG LEU 57 10.752 -5.109 -7.110 435 1HD1 LEU 57 1HD1 LEU 57 8.054 -5.078 -8.280 436 2HD1 LEU 57 2HD1 LEU 57 8.713 -6.110 -7.012 437 3HD1 LEU 57 3HD1 LEU 57 8.986 -6.512 -8.707 438 1HD2 LEU 57 1HD2 LEU 57 11.795 -4.474 -9.342 439 2HD2 LEU 57 2HD2 LEU 57 10.354 -5.137 -10.112 440 3HD2 LEU 57 3HD2 LEU 57 11.405 -6.183 -9.158 441 H GLN 58 H GLN 58 10.219 -4.752 -5.174 442 HA GLN 58 HA GLN 58 7.599 -5.922 -4.871 443 1HB GLN 58 2HB GLN 58 9.742 -7.246 -4.931 444 2HB GLN 58 1HB GLN 58 10.108 -6.611 -3.327 445 1HG GLN 58 2HG GLN 58 9.053 -8.744 -2.996 446 2HG GLN 58 1HG GLN 58 7.860 -7.520 -2.569 447 1HE2 GLN 58 1HE2 GLN 58 5.908 -7.461 -3.790 448 2HE2 GLN 58 2HE2 GLN 58 5.597 -8.491 -5.103 449 H GLU 59 H GLU 59 9.679 -3.823 -2.954 450 HA GLU 59 HA GLU 59 8.306 -4.091 -0.477 451 1HB GLU 59 2HB GLU 59 10.293 -2.195 -1.620 452 2HB GLU 59 1HB GLU 59 9.334 -1.621 -0.254 453 1HG GLU 59 2HG GLU 59 10.681 -4.320 -0.180 454 2HG GLU 59 1HG GLU 59 11.554 -2.853 0.267 455 H MET 60 H MET 60 7.984 -1.790 -3.184 456 HA MET 60 HA MET 60 5.970 -0.204 -1.946 457 1HB MET 60 2HB MET 60 5.538 0.701 -4.196 458 2HB MET 60 1HB MET 60 7.263 0.669 -3.838 459 1HG MET 60 2HG MET 60 7.516 -1.400 -5.128 460 2HG MET 60 1HG MET 60 5.782 -1.437 -5.444 461 1HE MET 60 1HE MET 60 7.572 -1.044 -8.583 462 2HE MET 60 2HE MET 60 5.839 -0.732 -8.620 463 3HE MET 60 3HE MET 60 6.484 -1.943 -7.516 464 H ILE 61 H ILE 61 5.913 -3.171 -3.802 465 HA ILE 61 HA ILE 61 3.107 -3.193 -4.359 466 HB ILE 61 HB ILE 61 5.138 -5.438 -4.206 467 1HG1 ILE 61 2HG1 ILE 61 3.757 -4.355 -6.658 468 2HG1 ILE 61 1HG1 ILE 61 5.207 -3.577 -6.022 469 1HG2 ILE 61 1HG2 ILE 61 2.794 -6.212 -3.753 470 2HG2 ILE 61 2HG2 ILE 61 3.459 -6.854 -5.253 471 3HG2 ILE 61 3HG2 ILE 61 2.309 -5.519 -5.301 472 1HD1 ILE 61 1HD1 ILE 61 6.254 -5.093 -7.388 473 2HD1 ILE 61 2HD1 ILE 61 4.901 -6.223 -7.342 474 3HD1 ILE 61 3HD1 ILE 61 6.035 -6.149 -5.993 475 H ASP 62 H ASP 62 5.134 -4.730 -1.857 476 HA ASP 62 HA ASP 62 3.071 -6.013 -0.439 477 1HB ASP 62 2HB ASP 62 5.697 -6.111 -0.165 478 2HB ASP 62 1HB ASP 62 5.403 -4.860 1.043 479 H GLU 63 H GLU 63 4.216 -2.684 -0.371 480 HA GLU 63 HA GLU 63 2.821 -1.917 2.011 481 1HB GLU 63 2HB GLU 63 4.148 -0.414 -0.230 482 2HB GLU 63 1HB GLU 63 3.183 0.439 0.976 483 1HG GLU 63 2HG GLU 63 4.561 -0.581 2.773 484 2HG GLU 63 1HG GLU 63 5.554 -1.366 1.544 485 H VAL 64 H VAL 64 2.161 -1.424 -1.475 486 HA VAL 64 HA VAL 64 -0.365 -0.165 -1.020 487 HB VAL 64 HB VAL 64 0.937 0.197 -3.090 488 1HG1 VAL 64 1HG1 VAL 64 1.701 -2.193 -3.299 489 2HG1 VAL 64 2HG1 VAL 64 1.076 -1.506 -4.797 490 3HG1 VAL 64 3HG1 VAL 64 0.078 -2.608 -3.849 491 1HG2 VAL 64 1HG2 VAL 64 -1.764 0.073 -2.809 492 2HG2 VAL 64 2HG2 VAL 64 -1.531 -1.078 -4.124 493 3HG2 VAL 64 3HG2 VAL 64 -0.964 0.582 -4.295 494 H ASP 65 H ASP 65 0.617 -3.504 -1.726 495 HA ASP 65 HA ASP 65 -2.066 -4.489 -2.010 496 1HB ASP 65 2HB ASP 65 0.485 -5.506 -2.519 497 2HB ASP 65 1HB ASP 65 -0.116 -6.495 -1.193 498 H GLU 66 H GLU 66 -3.334 -4.091 -0.275 499 HA GLU 66 HA GLU 66 -2.578 -4.121 2.433 500 1HB GLU 66 2HB GLU 66 -5.329 -4.814 1.372 501 2HB GLU 66 1HB GLU 66 -4.931 -4.161 2.960 502 1HG GLU 66 2HG GLU 66 -3.872 -2.188 1.616 503 2HG GLU 66 1HG GLU 66 -4.861 -2.787 0.284 504 H ASP 67 H ASP 67 -3.903 -6.660 0.361 505 HA ASP 67 HA ASP 67 -3.841 -8.625 2.507 506 1HB ASP 67 2HB ASP 67 -4.595 -10.201 0.668 507 2HB ASP 67 1HB ASP 67 -5.688 -8.868 1.026 508 H GLY 68 H GLY 68 -2.015 -7.867 -0.431 509 1HA GLY 68 2HA GLY 68 0.124 -8.469 -1.058 510 2HA GLY 68 1HA GLY 68 0.341 -9.163 0.546 511 H SER 69 H SER 69 -1.901 -9.855 -2.124 512 HA SER 69 HA SER 69 -1.549 -12.715 -1.757 513 1HB SER 69 2HB SER 69 -3.258 -12.867 -3.582 514 2HB SER 69 1HB SER 69 -3.783 -11.937 -2.182 515 HG SER 69 HG SER 69 -4.042 -10.328 -3.502 516 H GLY 70 H GLY 70 0.424 -10.602 -3.269 517 1HA GLY 70 2HA GLY 70 2.129 -10.958 -4.789 518 2HA GLY 70 1HA GLY 70 1.536 -12.601 -5.015 519 H THR 71 H THR 71 -0.801 -10.094 -5.326 520 HA THR 71 HA THR 71 -0.491 -9.881 -8.227 521 HB THR 71 HB THR 71 -2.722 -10.586 -8.731 522 HG1 THR 71 HG1 THR 71 -3.062 -10.890 -5.926 523 1HG2 THR 71 1HG2 THR 71 -1.493 -12.540 -6.763 524 2HG2 THR 71 2HG2 THR 71 -1.108 -12.422 -8.481 525 3HG2 THR 71 3HG2 THR 71 -2.715 -12.941 -7.972 526 H VAL 72 H VAL 72 -0.809 -7.836 -8.824 527 HA VAL 72 HA VAL 72 -1.967 -5.972 -6.884 528 HB VAL 72 HB VAL 72 -0.805 -5.226 -9.563 529 1HG1 VAL 72 1HG1 VAL 72 -0.571 -3.079 -8.613 530 2HG1 VAL 72 2HG1 VAL 72 -0.712 -3.692 -6.966 531 3HG1 VAL 72 3HG1 VAL 72 -2.135 -3.626 -8.008 532 1HG2 VAL 72 1HG2 VAL 72 0.883 -6.598 -8.428 533 2HG2 VAL 72 2HG2 VAL 72 0.659 -5.676 -6.939 534 3HG2 VAL 72 3HG2 VAL 72 1.355 -4.898 -8.361 535 H ASP 73 H ASP 73 -3.990 -5.333 -6.992 536 HA ASP 73 HA ASP 73 -5.629 -5.930 -9.334 537 1HB ASP 73 2HB ASP 73 -6.271 -4.695 -6.638 538 2HB ASP 73 1HB ASP 73 -7.465 -4.950 -7.909 539 H PHE 74 H PHE 74 -7.013 -4.160 -10.271 540 HA PHE 74 HA PHE 74 -5.437 -2.008 -11.142 541 1HB PHE 74 2HB PHE 74 -7.576 -2.878 -12.231 542 2HB PHE 74 1HB PHE 74 -8.452 -1.892 -11.058 543 HD1 PHE 74 HD1 PHE 74 -5.234 -1.292 -12.876 544 HD2 PHE 74 HD2 PHE 74 -9.286 -0.033 -12.217 545 HE1 PHE 74 HE1 PHE 74 -4.841 0.712 -14.269 546 HE2 PHE 74 HE2 PHE 74 -8.889 1.975 -13.613 547 HZ PHE 74 HZ PHE 74 -6.667 2.348 -14.641 548 H ASP 75 H ASP 75 -7.600 -2.298 -8.372 549 HA ASP 75 HA ASP 75 -7.669 0.478 -7.710 550 1HB ASP 75 2HB ASP 75 -9.180 -1.447 -6.821 551 2HB ASP 75 1HB ASP 75 -7.886 -1.706 -5.650 552 H GLU 76 H GLU 76 -5.611 -2.248 -6.711 553 HA GLU 76 HA GLU 76 -4.003 -0.710 -4.899 554 1HB GLU 76 2HB GLU 76 -3.302 -3.315 -6.279 555 2HB GLU 76 1HB GLU 76 -2.531 -2.646 -4.842 556 1HG GLU 76 2HG GLU 76 -4.616 -2.854 -3.578 557 2HG GLU 76 1HG GLU 76 -5.463 -3.416 -5.017 558 H PHE 77 H PHE 77 -3.933 -1.434 -8.317 559 HA PHE 77 HA PHE 77 -1.269 -0.719 -8.911 560 1HB PHE 77 2HB PHE 77 -3.302 -1.792 -10.332 561 2HB PHE 77 1HB PHE 77 -3.390 -0.135 -10.907 562 HD1 PHE 77 HD1 PHE 77 -2.834 -1.032 -13.147 563 HD2 PHE 77 HD2 PHE 77 -0.083 -1.329 -9.853 564 HE1 PHE 77 HE1 PHE 77 -0.980 -1.486 -14.722 565 HE2 PHE 77 HE2 PHE 77 1.762 -1.778 -11.435 566 HZ PHE 77 HZ PHE 77 1.319 -1.860 -13.874 567 H LEU 78 H LEU 78 -4.295 1.161 -9.145 568 HA LEU 78 HA LEU 78 -3.002 3.611 -9.860 569 1HB LEU 78 2HB LEU 78 -5.754 2.819 -9.025 570 2HB LEU 78 1HB LEU 78 -5.317 4.517 -8.961 571 HG LEU 78 HG LEU 78 -5.014 4.627 -11.315 572 1HD1 LEU 78 1HD1 LEU 78 -5.313 1.615 -11.442 573 2HD1 LEU 78 2HD1 LEU 78 -3.759 2.447 -11.466 574 3HD1 LEU 78 3HD1 LEU 78 -4.915 2.705 -12.771 575 1HD2 LEU 78 1HD2 LEU 78 -7.350 4.630 -10.782 576 2HD2 LEU 78 2HD2 LEU 78 -7.371 2.880 -10.571 577 3HD2 LEU 78 3HD2 LEU 78 -7.168 3.571 -12.180 578 H VAL 79 H VAL 79 -3.917 2.114 -6.811 579 HA VAL 79 HA VAL 79 -3.728 4.367 -5.124 580 HB VAL 79 HB VAL 79 -3.575 1.406 -4.747 581 1HG1 VAL 79 1HG1 VAL 79 -3.087 1.713 -2.333 582 2HG1 VAL 79 2HG1 VAL 79 -2.763 3.421 -2.630 583 3HG1 VAL 79 3HG1 VAL 79 -1.725 2.188 -3.350 584 1HG2 VAL 79 1HG2 VAL 79 -5.110 3.465 -3.161 585 2HG2 VAL 79 2HG2 VAL 79 -5.503 1.766 -3.426 586 3HG2 VAL 79 3HG2 VAL 79 -5.670 2.926 -4.744 587 H MET 80 H MET 80 -1.308 1.933 -6.048 588 HA MET 80 HA MET 80 0.895 2.693 -4.610 589 1HB MET 80 2HB MET 80 0.437 1.034 -6.792 590 2HB MET 80 1HB MET 80 1.624 2.194 -7.387 591 1HG MET 80 2HG MET 80 2.931 1.753 -5.235 592 2HG MET 80 1HG MET 80 1.848 0.386 -4.973 593 1HE MET 80 1HE MET 80 1.156 -1.053 -6.638 594 2HE MET 80 2HE MET 80 2.394 -2.177 -7.194 595 3HE MET 80 3HE MET 80 1.701 -1.014 -8.321 596 H MET 81 H MET 81 -0.544 4.440 -7.311 597 HA MET 81 HA MET 81 1.670 6.080 -7.969 598 1HB MET 81 2HB MET 81 -0.262 5.932 -9.452 599 2HB MET 81 1HB MET 81 -1.297 6.646 -8.219 600 1HG MET 81 2HG MET 81 -0.513 8.273 -9.988 601 2HG MET 81 1HG MET 81 -0.119 8.749 -8.338 602 1HE MET 81 1HE MET 81 0.893 7.229 -11.586 603 2HE MET 81 2HE MET 81 1.675 5.959 -10.649 604 3HE MET 81 3HE MET 81 2.657 7.091 -11.577 605 H VAL 82 H VAL 82 -1.214 6.888 -6.003 606 HA VAL 82 HA VAL 82 -0.199 9.338 -5.022 607 HB VAL 82 HB VAL 82 -1.950 9.119 -3.249 608 1HG1 VAL 82 1HG1 VAL 82 -3.761 9.423 -4.750 609 2HG1 VAL 82 2HG1 VAL 82 -3.059 8.332 -5.946 610 3HG1 VAL 82 3HG1 VAL 82 -2.337 9.916 -5.665 611 1HG2 VAL 82 1HG2 VAL 82 -2.649 6.517 -4.638 612 2HG2 VAL 82 2HG2 VAL 82 -3.387 7.194 -3.184 613 3HG2 VAL 82 3HG2 VAL 82 -1.734 6.581 -3.131 614 H ARG 83 H ARG 83 0.217 6.029 -3.924 615 HA ARG 83 HA ARG 83 1.098 6.470 -1.298 616 1HB ARG 83 2HB ARG 83 1.928 4.338 -3.280 617 2HB ARG 83 1HB ARG 83 2.334 4.311 -1.565 618 1HG ARG 83 2HG ARG 83 -0.311 4.687 -1.331 619 2HG ARG 83 1HG ARG 83 -0.302 3.877 -2.899 620 1HD ARG 83 2HD ARG 83 -0.422 2.054 -1.460 621 2HD ARG 83 1HD ARG 83 1.315 2.188 -1.699 622 HE ARG 83 HE ARG 83 1.532 2.820 0.528 623 1HH1 ARG 83 2HH1 ARG 83 -1.819 2.998 -0.455 624 2HH1 ARG 83 1HH1 ARG 83 -2.402 3.279 1.149 625 1HH2 ARG 83 1HH2 ARG 83 0.739 3.192 2.620 626 2HH2 ARG 83 2HH2 ARG 83 -0.962 3.390 2.883 627 H CYS 84 H CYS 84 2.822 6.690 -4.377 628 HA CYS 84 HA CYS 84 5.314 7.379 -2.955 629 1HB CYS 84 2HB CYS 84 5.100 5.664 -4.952 630 2HB CYS 84 1HB CYS 84 5.184 7.129 -5.931 631 HG CYS 84 HG CYS 84 7.449 7.637 -4.417 632 H MET 85 H MET 85 2.946 8.693 -5.230 633 HA MET 85 HA MET 85 4.332 11.008 -6.024 634 1HB MET 85 2HB MET 85 2.045 10.010 -6.845 635 2HB MET 85 1HB MET 85 1.361 11.066 -5.610 636 1HG MET 85 2HG MET 85 2.929 12.878 -6.710 637 2HG MET 85 1HG MET 85 2.874 11.795 -8.099 638 1HE MET 85 1HE MET 85 1.555 14.222 -5.943 639 2HE MET 85 2HE MET 85 -0.122 14.581 -6.348 640 3HE MET 85 3HE MET 85 1.167 15.091 -7.434 641 H LYS 86 H LYS 86 1.863 10.653 -3.460 642 HA LYS 86 HA LYS 86 2.949 13.101 -2.189 643 1HB LYS 86 2HB LYS 86 0.751 13.405 -1.162 644 2HB LYS 86 1HB LYS 86 0.588 13.304 -2.915 645 1HG LYS 86 2HG LYS 86 -0.458 11.256 -2.842 646 2HG LYS 86 1HG LYS 86 0.417 10.745 -1.398 647 1HD LYS 86 2HD LYS 86 -1.858 11.077 -0.726 648 2HD LYS 86 1HD LYS 86 -0.948 12.452 -0.101 649 1HE LYS 86 2HE LYS 86 -2.701 13.592 -1.080 650 2HE LYS 86 1HE LYS 86 -1.621 13.496 -2.470 651 1HZ LYS 86 1HZ LYS 86 -2.775 11.507 -3.195 652 2HZ LYS 86 2HZ LYS 86 -3.865 12.800 -3.033 653 3HZ LYS 86 3HZ LYS 86 -3.806 11.582 -1.850 654 H ASP 87 H ASP 87 2.694 13.144 0.216 655 HA ASP 87 HA ASP 87 3.264 12.298 2.277 656 1HB ASP 87 2HB ASP 87 1.038 11.011 1.598 657 2HB ASP 87 1HB ASP 87 2.128 9.626 1.584 658 H ASP 88 H ASP 88 5.021 11.784 -0.161 659 HA ASP 88 HA ASP 88 6.644 9.604 1.017 660 1HB ASP 88 2HB ASP 88 5.473 9.370 -1.388 661 2HB ASP 88 1HB ASP 88 6.933 10.228 -1.877 662 H SER 89 HN SER 89 6.820 12.447 -1.151 663 HA SER 89 HA SER 89 9.625 12.845 -0.738 664 1HB SER 89 2HB SER 89 8.297 13.653 -2.741 665 2HB SER 89 1HB SER 89 7.640 14.914 -1.700 666 HG SER 89 HG SER 89 9.421 15.819 -2.555 Start of MODEL 20 1 1H MET 1 1H MET 1 -3.920 10.523 10.367 2 2H MET 1 2H MET 1 -4.251 9.574 8.997 3 3H MET 1 3H MET 1 -4.388 11.266 8.916 4 HA MET 1 HA MET 1 -1.973 11.437 9.391 5 1HB MET 1 2HB MET 1 -2.345 8.467 9.339 6 2HB MET 1 1HB MET 1 -0.848 9.127 8.679 7 1HG MET 1 2HG MET 1 -0.742 10.504 10.881 8 2HG MET 1 1HG MET 1 -1.917 9.338 11.488 9 1HE MET 1 1HE MET 1 -0.173 9.071 13.312 10 2HE MET 1 2HE MET 1 1.217 9.874 12.585 11 3HE MET 1 3HE MET 1 1.370 8.218 13.166 12 H ASN 2 H ASN 2 -3.304 8.994 7.125 13 HA ASN 2 HA ASN 2 -2.526 10.769 4.891 14 1HB ASN 2 2HB ASN 2 -2.053 7.793 5.139 15 2HB ASN 2 1HB ASN 2 -2.002 8.648 3.596 16 1HD2 ASN 2 1HD2 ASN 2 -0.434 10.604 3.557 17 2HD2 ASN 2 2HD2 ASN 2 1.008 10.452 4.440 18 H ASP 3 H ASP 3 -4.755 11.436 4.962 19 HA ASP 3 HA ASP 3 -6.759 9.436 4.192 20 1HB ASP 3 2HB ASP 3 -6.908 12.297 5.107 21 2HB ASP 3 1HB ASP 3 -8.287 11.525 4.323 22 H ILE 4 H ILE 4 -4.967 12.139 2.883 23 HA ILE 4 HA ILE 4 -6.475 12.720 0.601 24 HB ILE 4 HB ILE 4 -4.538 13.745 -0.338 25 1HG1 ILE 4 2HG1 ILE 4 -3.002 11.774 0.014 26 2HG1 ILE 4 1HG1 ILE 4 -2.270 13.330 0.382 27 1HG2 ILE 4 1HG2 ILE 4 -3.869 15.209 1.431 28 2HG2 ILE 4 2HG2 ILE 4 -4.197 13.984 2.658 29 3HG2 ILE 4 3HG2 ILE 4 -5.529 14.725 1.773 30 1HD1 ILE 4 1HD1 ILE 4 -1.640 11.934 2.189 31 2HD1 ILE 4 2HD1 ILE 4 -3.249 11.225 2.312 32 3HD1 ILE 4 3HD1 ILE 4 -2.978 12.892 2.822 33 H TYR 5 H TYR 5 -4.410 9.986 1.264 34 HA TYR 5 HA TYR 5 -3.771 9.085 -1.299 35 1HB TYR 5 2HB TYR 5 -4.294 7.684 1.307 36 2HB TYR 5 1HB TYR 5 -4.053 6.737 -0.160 37 HD1 TYR 5 HD1 TYR 5 -1.899 5.851 -0.153 38 HD2 TYR 5 HD2 TYR 5 -2.489 9.921 1.076 39 HE1 TYR 5 HE1 TYR 5 0.551 6.144 0.064 40 HE2 TYR 5 HE2 TYR 5 -0.046 10.216 1.288 41 HH TYR 5 HH TYR 5 2.131 8.561 -0.063 42 H LYS 6 H LYS 6 -6.719 8.576 0.613 43 HA LYS 6 HA LYS 6 -7.991 7.040 -1.508 44 1HB LYS 6 2HB LYS 6 -9.012 8.017 1.169 45 2HB LYS 6 1HB LYS 6 -9.952 7.034 0.047 46 1HG LYS 6 2HG LYS 6 -7.212 6.128 0.903 47 2HG LYS 6 1HG LYS 6 -8.601 5.845 1.951 48 1HD LYS 6 2HD LYS 6 -8.965 3.981 0.724 49 2HD LYS 6 1HD LYS 6 -9.529 5.066 -0.547 50 1HE LYS 6 2HE LYS 6 -7.268 5.182 -1.489 51 2HE LYS 6 1HE LYS 6 -6.655 4.163 -0.187 52 1HZ LYS 6 1HZ LYS 6 -8.191 2.415 -0.933 53 2HZ LYS 6 2HZ LYS 6 -7.059 2.834 -2.126 54 3HZ LYS 6 3HZ LYS 6 -8.659 3.392 -2.238 55 H ALA 7 H ALA 7 -8.043 10.324 -0.248 56 HA ALA 7 HA ALA 7 -10.436 11.160 -1.560 57 1HB ALA 7 1HB ALA 7 -8.145 12.969 -0.803 58 2HB ALA 7 2HB ALA 7 -9.257 12.308 0.395 59 3HB ALA 7 3HB ALA 7 -9.863 13.358 -0.886 60 H ALA 8 H ALA 8 -7.117 10.822 -2.605 61 HA ALA 8 HA ALA 8 -7.469 12.494 -4.957 62 1HB ALA 8 1HB ALA 8 -5.186 11.934 -5.489 63 2HB ALA 8 2HB ALA 8 -5.188 10.612 -4.321 64 3HB ALA 8 3HB ALA 8 -5.270 12.283 -3.761 65 H VAL 9 H VAL 9 -7.134 9.020 -4.235 66 HA VAL 9 HA VAL 9 -7.254 8.138 -6.923 67 HB VAL 9 HB VAL 9 -6.457 6.743 -5.002 68 1HG1 VAL 9 1HG1 VAL 9 -9.424 6.437 -4.442 69 2HG1 VAL 9 2HG1 VAL 9 -8.284 7.321 -3.427 70 3HG1 VAL 9 3HG1 VAL 9 -8.118 5.578 -3.625 71 1HG2 VAL 9 1HG2 VAL 9 -8.713 5.270 -6.327 72 2HG2 VAL 9 2HG2 VAL 9 -7.051 4.748 -6.050 73 3HG2 VAL 9 3HG2 VAL 9 -7.409 5.918 -7.320 74 H GLU 10 H GLU 10 -9.760 9.084 -4.659 75 HA GLU 10 HA GLU 10 -11.913 7.869 -6.133 76 1HB GLU 10 2HB GLU 10 -13.388 9.076 -4.635 77 2HB GLU 10 1HB GLU 10 -12.066 8.376 -3.701 78 1HG GLU 10 2HG GLU 10 -11.036 10.443 -3.354 79 2HG GLU 10 1HG GLU 10 -11.815 11.183 -4.751 80 H GLN 11 H GLN 11 -10.105 10.834 -6.377 81 HA GLN 11 HA GLN 11 -12.113 11.914 -8.255 82 1HB GLN 11 2HB GLN 11 -11.122 14.107 -7.891 83 2HB GLN 11 1HB GLN 11 -11.556 13.388 -6.342 84 1HG GLN 11 2HG GLN 11 -9.236 12.706 -5.970 85 2HG GLN 11 1HG GLN 11 -8.776 13.317 -7.558 86 1HE2 GLN 11 1HE2 GLN 11 -9.061 14.183 -4.260 87 2HE2 GLN 11 2HE2 GLN 11 -8.918 15.863 -4.452 88 H LEU 12 H LEU 12 -9.908 9.850 -8.762 89 HA LEU 12 HA LEU 12 -7.826 10.955 -10.282 90 1HB LEU 12 2HB LEU 12 -9.235 8.306 -10.430 91 2HB LEU 12 1HB LEU 12 -7.929 8.710 -11.521 92 HG LEU 12 HG LEU 12 -7.848 8.161 -8.578 93 1HD1 LEU 12 1HD1 LEU 12 -5.678 7.021 -9.520 94 2HD1 LEU 12 2HD1 LEU 12 -6.472 7.233 -11.081 95 3HD1 LEU 12 3HD1 LEU 12 -7.250 6.277 -9.819 96 1HD2 LEU 12 1HD2 LEU 12 -5.895 9.854 -10.159 97 2HD2 LEU 12 2HD2 LEU 12 -5.473 9.067 -8.638 98 3HD2 LEU 12 3HD2 LEU 12 -6.740 10.294 -8.676 99 H THR 13 H THR 13 -7.513 11.139 -12.528 100 HA THR 13 HA THR 13 -9.905 12.001 -13.984 101 HB THR 13 HB THR 13 -7.807 12.395 -15.706 102 HG1 THR 13 HG1 THR 13 -6.091 12.101 -14.537 103 1HG2 THR 13 1HG2 THR 13 -9.305 14.013 -13.736 104 2HG2 THR 13 2HG2 THR 13 -9.073 14.261 -15.467 105 3HG2 THR 13 3HG2 THR 13 -7.807 14.729 -14.334 106 H ASP 14 H ASP 14 -9.879 11.507 -16.403 107 HA ASP 14 HA ASP 14 -10.113 8.693 -16.785 108 1HB ASP 14 2HB ASP 14 -10.150 11.041 -18.684 109 2HB ASP 14 1HB ASP 14 -10.284 9.378 -19.255 110 H GLU 15 H GLU 15 -7.595 11.065 -17.411 111 HA GLU 15 HA GLU 15 -5.938 9.343 -19.016 112 1HB GLU 15 2HB GLU 15 -5.456 11.950 -17.575 113 2HB GLU 15 1HB GLU 15 -4.155 11.085 -18.393 114 1HG GLU 15 2HG GLU 15 -4.988 11.520 -20.485 115 2HG GLU 15 1HG GLU 15 -6.665 11.466 -19.942 116 H GLN 16 H GLN 16 -6.335 9.978 -15.589 117 HA GLN 16 HA GLN 16 -3.893 8.772 -14.714 118 1HB GLN 16 2HB GLN 16 -5.667 10.322 -13.446 119 2HB GLN 16 1HB GLN 16 -6.291 8.752 -12.942 120 1HG GLN 16 2HG GLN 16 -4.716 8.974 -11.296 121 2HG GLN 16 1HG GLN 16 -3.643 8.342 -12.543 122 1HE2 GLN 16 1HE2 GLN 16 -4.906 11.486 -11.298 123 2HE2 GLN 16 2HE2 GLN 16 -3.496 12.358 -11.663 124 H LYS 17 H LYS 17 -7.264 7.652 -14.971 125 HA LYS 17 HA LYS 17 -6.887 5.040 -13.992 126 1HB LYS 17 2HB LYS 17 -8.844 6.025 -16.091 127 2HB LYS 17 1HB LYS 17 -8.927 4.458 -15.290 128 1HG LYS 17 2HG LYS 17 -9.072 7.154 -13.905 129 2HG LYS 17 1HG LYS 17 -10.436 6.081 -14.212 130 1HD LYS 17 2HD LYS 17 -8.547 4.452 -12.949 131 2HD LYS 17 1HD LYS 17 -8.466 5.981 -12.074 132 1HE LYS 17 2HE LYS 17 -11.029 4.471 -12.669 133 2HE LYS 17 1HE LYS 17 -10.176 4.430 -11.126 134 1HZ LYS 17 1HZ LYS 17 -11.574 6.696 -12.403 135 2HZ LYS 17 2HZ LYS 17 -10.378 6.965 -11.227 136 3HZ LYS 17 3HZ LYS 17 -11.767 6.071 -10.839 137 H ASN 18 H ASN 18 -6.698 6.359 -17.295 138 HA ASN 18 HA ASN 18 -6.076 3.885 -18.565 139 1HB ASN 18 2HB ASN 18 -5.878 6.769 -19.356 140 2HB ASN 18 1HB ASN 18 -5.083 5.545 -20.346 141 1HD2 ASN 18 1HD2 ASN 18 -7.787 7.262 -20.482 142 2HD2 ASN 18 2HD2 ASN 18 -8.896 6.105 -21.040 143 H GLU 19 H GLU 19 -4.124 6.285 -16.914 144 HA GLU 19 HA GLU 19 -1.586 5.763 -17.932 145 1HB GLU 19 2HB GLU 19 -2.207 7.528 -16.220 146 2HB GLU 19 1HB GLU 19 -2.164 6.251 -15.005 147 1HG GLU 19 2HG GLU 19 0.022 6.986 -14.863 148 2HG GLU 19 1HG GLU 19 0.203 5.759 -16.115 149 H PHE 20 H PHE 20 -3.220 4.174 -15.180 150 HA PHE 20 HA PHE 20 -1.144 2.116 -15.081 151 1HB PHE 20 2HB PHE 20 -3.485 2.835 -13.344 152 2HB PHE 20 1HB PHE 20 -2.711 1.260 -13.192 153 HD1 PHE 20 HD1 PHE 20 -2.289 4.896 -12.775 154 HD2 PHE 20 HD2 PHE 20 -0.401 1.055 -12.397 155 HE1 PHE 20 HE1 PHE 20 -0.485 5.910 -11.411 156 HE2 PHE 20 HE2 PHE 20 1.390 2.064 -11.026 157 HZ PHE 20 HZ PHE 20 1.355 4.497 -10.535 158 H LYS 21 H LYS 21 -4.617 2.411 -15.803 159 HA LYS 21 HA LYS 21 -5.280 -0.282 -16.062 160 1HB LYS 21 2HB LYS 21 -6.934 1.544 -16.116 161 2HB LYS 21 1HB LYS 21 -6.352 2.017 -17.707 162 1HG LYS 21 2HG LYS 21 -7.020 -0.841 -17.496 163 2HG LYS 21 1HG LYS 21 -8.398 0.231 -17.243 164 1HD LYS 21 2HD LYS 21 -7.478 1.463 -19.375 165 2HD LYS 21 1HD LYS 21 -6.658 -0.070 -19.675 166 1HE LYS 21 2HE LYS 21 -8.678 -0.426 -20.778 167 2HE LYS 21 1HE LYS 21 -9.040 -1.097 -19.189 168 1HZ LYS 21 1HZ LYS 21 -9.643 1.692 -20.013 169 2HZ LYS 21 2HZ LYS 21 -10.092 0.944 -18.555 170 3HZ LYS 21 3HZ LYS 21 -10.768 0.424 -20.024 171 H ALA 22 H ALA 22 -3.661 1.844 -18.392 172 HA ALA 22 HA ALA 22 -3.850 0.208 -20.676 173 1HB ALA 22 1HB ALA 22 -1.775 1.369 -21.433 174 2HB ALA 22 2HB ALA 22 -1.627 2.080 -19.825 175 3HB ALA 22 3HB ALA 22 -3.008 2.486 -20.846 176 H ALA 23 H ALA 23 -1.233 0.443 -18.270 177 HA ALA 23 HA ALA 23 0.260 -1.776 -19.249 178 1HB ALA 23 1HB ALA 23 1.514 -0.320 -17.903 179 2HB ALA 23 2HB ALA 23 1.212 -1.680 -16.823 180 3HB ALA 23 3HB ALA 23 0.249 -0.210 -16.679 181 H PHE 24 H PHE 24 -2.250 -1.357 -16.816 182 HA PHE 24 HA PHE 24 -2.158 -3.884 -15.594 183 1HB PHE 24 2HB PHE 24 -3.531 -1.792 -14.945 184 2HB PHE 24 1HB PHE 24 -4.726 -2.386 -16.096 185 HD1 PHE 24 HD1 PHE 24 -5.680 -4.717 -15.788 186 HD2 PHE 24 HD2 PHE 24 -3.306 -2.767 -12.791 187 HE1 PHE 24 HE1 PHE 24 -6.529 -6.300 -14.081 188 HE2 PHE 24 HE2 PHE 24 -4.154 -4.343 -11.086 189 HZ PHE 24 HZ PHE 24 -5.769 -6.107 -11.728 190 H ASP 25 H ASP 25 -4.034 -2.748 -18.401 191 HA ASP 25 HA ASP 25 -5.448 -5.134 -18.891 192 1HB ASP 25 2HB ASP 25 -4.809 -2.690 -20.456 193 2HB ASP 25 1HB ASP 25 -5.336 -4.107 -21.362 194 H ILE 26 H ILE 26 -2.262 -4.073 -20.064 195 HA ILE 26 HA ILE 26 -1.984 -6.337 -21.836 196 HB ILE 26 HB ILE 26 0.356 -5.552 -22.126 197 1HG1 ILE 26 2HG1 ILE 26 -0.458 -3.336 -20.218 198 2HG1 ILE 26 1HG1 ILE 26 0.608 -4.668 -19.784 199 1HG2 ILE 26 1HG2 ILE 26 -1.555 -4.639 -23.453 200 2HG2 ILE 26 2HG2 ILE 26 -0.242 -3.478 -23.255 201 3HG2 ILE 26 3HG2 ILE 26 -1.703 -3.331 -22.279 202 1HD1 ILE 26 1HD1 ILE 26 1.386 -3.286 -22.262 203 2HD1 ILE 26 2HD1 ILE 26 2.373 -3.766 -20.882 204 3HD1 ILE 26 3HD1 ILE 26 1.445 -2.267 -20.823 205 H PHE 27 H PHE 27 -0.847 -5.538 -18.568 206 HA PHE 27 HA PHE 27 0.861 -7.839 -18.381 207 1HB PHE 27 2HB PHE 27 -0.200 -5.950 -16.273 208 2HB PHE 27 1HB PHE 27 0.900 -7.284 -15.920 209 HD1 PHE 27 HD1 PHE 27 1.003 -3.932 -16.211 210 HD2 PHE 27 HD2 PHE 27 2.762 -7.357 -18.114 211 HE1 PHE 27 HE1 PHE 27 2.903 -2.533 -16.983 212 HE2 PHE 27 HE2 PHE 27 4.660 -5.962 -18.873 213 HZ PHE 27 HZ PHE 27 4.729 -3.551 -18.311 214 H ILE 28 H ILE 28 -2.517 -7.186 -17.517 215 HA ILE 28 HA ILE 28 -2.743 -9.837 -16.275 216 HB ILE 28 HB ILE 28 -4.967 -9.244 -15.622 217 1HG1 ILE 28 2HG1 ILE 28 -5.625 -6.739 -16.366 218 2HG1 ILE 28 1HG1 ILE 28 -4.677 -7.203 -17.780 219 1HG2 ILE 28 1HG2 ILE 28 -3.561 -6.620 -15.294 220 2HG2 ILE 28 2HG2 ILE 28 -2.848 -8.068 -14.591 221 3HG2 ILE 28 3HG2 ILE 28 -4.468 -7.560 -14.111 222 1HD1 ILE 28 1HD1 ILE 28 -6.389 -8.439 -18.549 223 2HD1 ILE 28 2HD1 ILE 28 -7.362 -7.924 -17.170 224 3HD1 ILE 28 3HD1 ILE 28 -6.390 -9.393 -17.066 225 H GLN 29 H GLN 29 -2.796 -8.672 -19.384 226 HA GLN 29 HA GLN 29 -5.001 -9.730 -20.669 227 1HB GLN 29 2HB GLN 29 -3.328 -8.415 -21.852 228 2HB GLN 29 1HB GLN 29 -2.124 -9.679 -21.613 229 1HG GLN 29 2HG GLN 29 -3.379 -11.222 -22.994 230 2HG GLN 29 1HG GLN 29 -4.722 -10.085 -23.118 231 1HE2 GLN 29 1HE2 GLN 29 -3.992 -7.819 -24.063 232 2HE2 GLN 29 2HE2 GLN 29 -2.900 -7.884 -25.361 233 H ASP 30 H ASP 30 -2.057 -11.410 -19.626 234 HA ASP 30 HA ASP 30 -3.178 -13.973 -20.559 235 1HB ASP 30 2HB ASP 30 -0.389 -13.209 -19.672 236 2HB ASP 30 1HB ASP 30 -0.878 -14.853 -20.082 237 H ALA 31 H ALA 31 -3.952 -12.414 -18.037 238 HA ALA 31 HA ALA 31 -3.193 -14.361 -15.966 239 1HB ALA 31 1HB ALA 31 -3.024 -11.843 -15.568 240 2HB ALA 31 2HB ALA 31 -3.911 -12.767 -14.355 241 3HB ALA 31 3HB ALA 31 -4.787 -11.829 -15.565 242 H GLU 32 H GLU 32 -4.803 -15.329 -14.641 243 HA GLU 32 HA GLU 32 -7.430 -15.603 -15.984 244 1HB GLU 32 2HB GLU 32 -5.856 -17.586 -14.325 245 2HB GLU 32 1HB GLU 32 -7.532 -17.835 -14.815 246 1HG GLU 32 2HG GLU 32 -5.533 -17.102 -16.921 247 2HG GLU 32 1HG GLU 32 -5.529 -18.753 -16.302 248 H ASP 33 H ASP 33 -6.913 -13.479 -14.172 249 HA ASP 33 HA ASP 33 -8.957 -14.041 -12.168 250 1HB ASP 33 2HB ASP 33 -6.097 -13.463 -11.497 251 2HB ASP 33 1HB ASP 33 -7.369 -12.833 -10.452 252 H GLY 34 H GLY 34 -6.566 -11.643 -13.270 253 1HA GLY 34 2HA GLY 34 -7.464 -9.606 -14.367 254 2HA GLY 34 1HA GLY 34 -8.670 -9.559 -13.084 255 H CYS 35 H CYS 35 -5.199 -10.247 -12.865 256 HA CYS 35 HA CYS 35 -4.663 -7.684 -11.567 257 1HB CYS 35 2HB CYS 35 -3.473 -8.986 -9.684 258 2HB CYS 35 1HB CYS 35 -5.230 -8.862 -9.603 259 HG CYS 35 HG CYS 35 -4.637 -11.381 -9.271 260 H ILE 36 H ILE 36 -2.449 -7.140 -11.550 261 HA ILE 36 HA ILE 36 -0.893 -8.547 -13.573 262 HB ILE 36 HB ILE 36 0.575 -6.691 -13.607 263 1HG1 ILE 36 2HG1 ILE 36 -0.163 -4.897 -11.615 264 2HG1 ILE 36 1HG1 ILE 36 -0.203 -6.455 -10.790 265 1HG2 ILE 36 1HG2 ILE 36 -1.603 -6.158 -14.562 266 2HG2 ILE 36 2HG2 ILE 36 -0.952 -4.731 -13.758 267 3HG2 ILE 36 3HG2 ILE 36 -2.214 -5.682 -12.978 268 1HD1 ILE 36 1HD1 ILE 36 2.056 -6.740 -10.942 269 2HD1 ILE 36 2HD1 ILE 36 2.075 -4.990 -11.164 270 3HD1 ILE 36 3HD1 ILE 36 2.127 -6.056 -12.569 271 H SER 37 H SER 37 1.567 -8.694 -13.080 272 HA SER 37 HA SER 37 1.816 -10.422 -10.739 273 1HB SER 37 2HB SER 37 2.708 -11.187 -12.906 274 2HB SER 37 1HB SER 37 3.796 -9.804 -12.947 275 HG SER 37 HG SER 37 4.764 -11.731 -12.109 276 H THR 38 H THR 38 2.235 -9.445 -8.866 277 HA THR 38 HA THR 38 3.291 -6.910 -8.424 278 HB THR 38 HB THR 38 3.872 -7.739 -6.127 279 HG1 THR 38 HG1 THR 38 4.143 -9.788 -5.903 280 1HG2 THR 38 1HG2 THR 38 1.187 -8.255 -7.382 281 2HG2 THR 38 2HG2 THR 38 1.672 -6.943 -6.311 282 3HG2 THR 38 3HG2 THR 38 1.450 -8.567 -5.667 283 H LYS 39 H LYS 39 5.035 -10.029 -8.292 284 HA LYS 39 HA LYS 39 7.592 -8.990 -7.781 285 1HB LYS 39 2HB LYS 39 8.466 -11.117 -8.710 286 2HB LYS 39 1HB LYS 39 7.147 -11.374 -7.570 287 1HG LYS 39 2HG LYS 39 5.798 -11.123 -9.959 288 2HG LYS 39 1HG LYS 39 7.271 -11.957 -10.452 289 1HD LYS 39 2HD LYS 39 6.900 -13.692 -8.779 290 2HD LYS 39 1HD LYS 39 5.493 -12.830 -8.154 291 1HE LYS 39 2HE LYS 39 4.220 -13.256 -10.098 292 2HE LYS 39 1HE LYS 39 5.647 -13.662 -11.051 293 1HZ LYS 39 1HZ LYS 39 4.710 -15.250 -8.723 294 2HZ LYS 39 2HZ LYS 39 5.926 -15.669 -9.834 295 3HZ LYS 39 3HZ LYS 39 4.303 -15.605 -10.332 296 H GLU 40 H GLU 40 5.743 -9.049 -10.743 297 HA GLU 40 HA GLU 40 8.115 -8.185 -12.278 298 1HB GLU 40 2HB GLU 40 5.413 -9.181 -13.212 299 2HB GLU 40 1HB GLU 40 6.690 -8.607 -14.282 300 1HG GLU 40 2HG GLU 40 8.207 -10.354 -13.412 301 2HG GLU 40 1HG GLU 40 6.921 -10.936 -12.354 302 H LEU 41 H LEU 41 6.490 -6.504 -10.359 303 HA LEU 41 HA LEU 41 4.863 -4.705 -11.816 304 1HB LEU 41 2HB LEU 41 5.140 -4.993 -9.249 305 2HB LEU 41 1HB LEU 41 6.453 -3.849 -9.424 306 HG LEU 41 HG LEU 41 3.811 -3.114 -10.603 307 1HD1 LEU 41 1HD1 LEU 41 4.364 -2.706 -7.665 308 2HD1 LEU 41 2HD1 LEU 41 3.483 -4.119 -8.244 309 3HD1 LEU 41 3HD1 LEU 41 2.843 -2.502 -8.535 310 1HD2 LEU 41 1HD2 LEU 41 4.537 -0.897 -10.039 311 2HD2 LEU 41 2HD2 LEU 41 5.946 -1.724 -10.700 312 3HD2 LEU 41 3HD2 LEU 41 5.786 -1.513 -8.956 313 H GLY 42 H GLY 42 8.339 -4.962 -11.449 314 1HA GLY 42 2HA GLY 42 9.178 -2.375 -12.076 315 2HA GLY 42 1HA GLY 42 10.059 -3.840 -12.505 316 H LYS 43 H LYS 43 7.952 -4.948 -14.156 317 HA LYS 43 HA LYS 43 8.600 -3.787 -16.664 318 1HB LYS 43 2HB LYS 43 7.729 -6.208 -15.976 319 2HB LYS 43 1HB LYS 43 6.163 -5.488 -16.360 320 1HG LYS 43 2HG LYS 43 6.611 -5.392 -18.574 321 2HG LYS 43 1HG LYS 43 8.283 -4.903 -18.320 322 1HD LYS 43 2HD LYS 43 8.872 -7.003 -18.904 323 2HD LYS 43 1HD LYS 43 8.189 -7.529 -17.366 324 1HE LYS 43 2HE LYS 43 6.317 -7.108 -19.662 325 2HE LYS 43 1HE LYS 43 7.331 -8.550 -19.673 326 1HZ LYS 43 1HZ LYS 43 6.499 -9.130 -17.492 327 2HZ LYS 43 2HZ LYS 43 5.206 -8.943 -18.578 328 3HZ LYS 43 3HZ LYS 43 5.549 -7.725 -17.444 329 H VAL 44 H VAL 44 6.017 -3.254 -14.372 330 HA VAL 44 HA VAL 44 4.449 -1.704 -16.297 331 HB VAL 44 HB VAL 44 2.645 -1.969 -14.936 332 1HG1 VAL 44 1HG1 VAL 44 2.575 -4.096 -13.967 333 2HG1 VAL 44 2HG1 VAL 44 4.233 -3.988 -13.375 334 3HG1 VAL 44 3HG1 VAL 44 3.926 -4.239 -15.092 335 1HG2 VAL 44 1HG2 VAL 44 3.005 -2.142 -12.333 336 2HG2 VAL 44 2HG2 VAL 44 3.090 -0.569 -13.124 337 3HG2 VAL 44 3HG2 VAL 44 4.572 -1.424 -12.696 338 H MET 45 H MET 45 6.552 -1.271 -13.515 339 HA MET 45 HA MET 45 5.958 1.474 -13.050 340 1HB MET 45 2HB MET 45 7.310 -0.334 -11.614 341 2HB MET 45 1HB MET 45 8.676 0.443 -12.414 342 1HG MET 45 2HG MET 45 7.733 2.668 -11.684 343 2HG MET 45 1HG MET 45 6.543 1.784 -10.729 344 1HE MET 45 1HE MET 45 7.221 1.382 -7.976 345 2HE MET 45 2HE MET 45 8.263 -0.032 -8.096 346 3HE MET 45 3HE MET 45 6.911 0.152 -9.209 347 H ARG 46 H ARG 46 8.242 -0.203 -15.179 348 HA ARG 46 HA ARG 46 9.865 1.998 -15.862 349 1HB ARG 46 2HB ARG 46 10.371 0.785 -17.956 350 2HB ARG 46 1HB ARG 46 10.462 -0.277 -16.552 351 1HG ARG 46 2HG ARG 46 8.259 -1.183 -17.030 352 2HG ARG 46 1HG ARG 46 8.031 -0.037 -18.350 353 1HD ARG 46 2HD ARG 46 10.318 -2.011 -18.290 354 2HD ARG 46 1HD ARG 46 8.763 -2.389 -19.023 355 HE ARG 46 HE ARG 46 9.613 0.041 -20.118 356 1HH1 ARG 46 2HH1 ARG 46 10.646 -3.293 -20.005 357 2HH1 ARG 46 1HH1 ARG 46 11.443 -3.229 -21.539 358 1HH2 ARG 46 1HH2 ARG 46 10.663 0.102 -22.129 359 2HH2 ARG 46 2HH2 ARG 46 11.454 -1.314 -22.738 360 H MET 47 H MET 47 6.677 1.003 -16.975 361 HA MET 47 HA MET 47 6.478 2.873 -19.138 362 1HB MET 47 2HB MET 47 4.432 1.296 -17.562 363 2HB MET 47 1HB MET 47 3.976 2.415 -18.848 364 1HG MET 47 2HG MET 47 5.944 0.140 -19.217 365 2HG MET 47 1HG MET 47 4.229 0.026 -19.611 366 1HE MET 47 1HE MET 47 7.751 1.240 -21.437 367 2HE MET 47 2HE MET 47 6.844 0.217 -22.548 368 3HE MET 47 3HE MET 47 7.012 -0.261 -20.860 369 H LEU 48 H LEU 48 5.817 2.926 -15.690 370 HA LEU 48 HA LEU 48 4.354 5.390 -15.628 371 1HB LEU 48 2HB LEU 48 5.698 3.649 -13.606 372 2HB LEU 48 1HB LEU 48 5.278 5.285 -13.156 373 HG LEU 48 HG LEU 48 2.975 4.855 -13.282 374 1HD1 LEU 48 1HD1 LEU 48 3.786 2.581 -15.077 375 2HD1 LEU 48 2HD1 LEU 48 2.601 3.854 -15.367 376 3HD1 LEU 48 3HD1 LEU 48 2.227 2.538 -14.253 377 1HD2 LEU 48 1HD2 LEU 48 3.039 2.238 -12.360 378 2HD2 LEU 48 2HD2 LEU 48 3.272 3.680 -11.369 379 3HD2 LEU 48 3HD2 LEU 48 4.669 2.822 -12.019 380 H GLY 49 H GLY 49 7.755 4.483 -15.484 381 1HA GLY 49 2HA GLY 49 9.222 6.324 -16.427 382 2HA GLY 49 1HA GLY 49 8.502 7.335 -15.184 383 H GLN 50 H GLN 50 8.903 4.215 -13.928 384 HA GLN 50 HA GLN 50 11.609 4.842 -12.897 385 1HB GLN 50 2HB GLN 50 9.352 3.695 -11.236 386 2HB GLN 50 1HB GLN 50 10.970 4.117 -10.677 387 1HG GLN 50 2HG GLN 50 10.290 6.224 -10.286 388 2HG GLN 50 1HG GLN 50 9.867 6.407 -11.988 389 1HE2 GLN 50 1HE2 GLN 50 7.627 6.124 -12.604 390 2HE2 GLN 50 2HE2 GLN 50 6.390 5.985 -11.449 391 H ASN 51 H ASN 51 12.977 3.099 -12.592 392 HA ASN 51 HA ASN 51 11.891 0.412 -13.141 393 1HB ASN 51 2HB ASN 51 13.976 -0.032 -14.539 394 2HB ASN 51 1HB ASN 51 12.752 0.998 -15.277 395 1HD2 ASN 51 1HD2 ASN 51 16.073 0.821 -14.464 396 2HD2 ASN 51 2HD2 ASN 51 16.457 2.457 -14.705 397 HA PRO 52 HA PRO 52 14.788 0.248 -9.571 398 1HB PRO 52 2HB PRO 52 13.021 -0.911 -7.832 399 2HB PRO 52 1HB PRO 52 13.145 0.837 -8.085 400 1HG PRO 52 2HG PRO 52 11.047 -1.039 -8.963 401 2HG PRO 52 1HG PRO 52 10.955 0.706 -8.691 402 1HD PRO 52 2HD PRO 52 11.183 -0.635 -11.208 403 2HD PRO 52 1HD PRO 52 11.244 1.119 -10.916 404 H THR 53 H THR 53 14.559 -1.977 -7.872 405 HA THR 53 HA THR 53 15.164 -4.200 -9.720 406 HB THR 53 HB THR 53 16.597 -5.072 -8.084 407 HG1 THR 53 HG1 THR 53 16.142 -5.014 -6.030 408 1HG2 THR 53 1HG2 THR 53 18.006 -3.278 -7.329 409 2HG2 THR 53 2HG2 THR 53 16.672 -2.128 -7.403 410 3HG2 THR 53 3HG2 THR 53 17.339 -2.801 -8.891 411 HA PRO 54 HA PRO 54 11.672 -6.503 -8.328 412 1HB PRO 54 2HB PRO 54 12.641 -9.008 -7.776 413 2HB PRO 54 1HB PRO 54 12.414 -8.368 -9.412 414 1HG PRO 54 2HG PRO 54 14.922 -8.714 -7.853 415 2HG PRO 54 1HG PRO 54 14.658 -8.798 -9.602 416 1HD PRO 54 2HD PRO 54 15.762 -6.616 -8.246 417 2HD PRO 54 1HD PRO 54 15.065 -6.552 -9.880 418 H GLU 55 H GLU 55 14.429 -6.525 -6.167 419 HA GLU 55 HA GLU 55 12.934 -7.426 -3.847 420 1HB GLU 55 2HB GLU 55 15.711 -6.247 -4.134 421 2HB GLU 55 1HB GLU 55 15.026 -6.818 -2.613 422 1HG GLU 55 2HG GLU 55 14.894 -9.067 -3.401 423 2HG GLU 55 1HG GLU 55 15.187 -8.576 -5.070 424 H GLU 56 H GLU 56 14.011 -4.381 -5.283 425 HA GLU 56 HA GLU 56 13.323 -2.723 -3.047 426 1HB GLU 56 2HB GLU 56 14.906 -2.249 -5.088 427 2HB GLU 56 1HB GLU 56 13.422 -1.693 -5.861 428 1HG GLU 56 2HG GLU 56 13.029 -0.090 -4.082 429 2HG GLU 56 1HG GLU 56 14.393 -0.722 -3.158 430 H LEU 57 H LEU 57 11.676 -3.619 -6.082 431 HA LEU 57 HA LEU 57 9.411 -1.923 -5.578 432 1HB LEU 57 2HB LEU 57 8.398 -3.032 -7.488 433 2HB LEU 57 1HB LEU 57 10.016 -2.486 -7.847 434 HG LEU 57 HG LEU 57 10.609 -5.013 -7.208 435 1HD1 LEU 57 1HD1 LEU 57 8.715 -6.406 -8.286 436 2HD1 LEU 57 2HD1 LEU 57 7.688 -5.009 -7.970 437 3HD1 LEU 57 3HD1 LEU 57 8.468 -5.850 -6.631 438 1HD2 LEU 57 1HD2 LEU 57 9.378 -4.148 -9.845 439 2HD2 LEU 57 2HD2 LEU 57 10.469 -5.515 -9.619 440 3HD2 LEU 57 3HD2 LEU 57 11.051 -3.870 -9.363 441 H GLN 58 H GLN 58 10.259 -5.208 -4.715 442 HA GLN 58 HA GLN 58 7.638 -6.200 -4.281 443 1HB GLN 58 2HB GLN 58 10.373 -7.066 -3.634 444 2HB GLN 58 1HB GLN 58 9.148 -7.604 -2.484 445 1HG GLN 58 2HG GLN 58 8.838 -7.908 -5.483 446 2HG GLN 58 1HG GLN 58 9.535 -9.162 -4.458 447 1HE2 GLN 58 1HE2 GLN 58 6.544 -7.742 -5.528 448 2HE2 GLN 58 2HE2 GLN 58 5.515 -8.674 -4.553 449 H GLU 59 H GLU 59 9.902 -4.475 -2.139 450 HA GLU 59 HA GLU 59 8.421 -4.839 0.245 451 1HB GLU 59 2HB GLU 59 9.750 -3.019 1.179 452 2HB GLU 59 1HB GLU 59 10.773 -4.105 0.243 453 1HG GLU 59 2HG GLU 59 11.482 -2.327 -0.937 454 2HG GLU 59 1HG GLU 59 9.855 -2.170 -1.590 455 H MET 60 H MET 60 8.189 -2.361 -2.292 456 HA MET 60 HA MET 60 6.309 -0.771 -0.791 457 1HB MET 60 2HB MET 60 6.049 0.542 -2.839 458 2HB MET 60 1HB MET 60 7.755 0.274 -2.492 459 1HG MET 60 2HG MET 60 7.954 -1.372 -4.192 460 2HG MET 60 1HG MET 60 6.204 -1.537 -4.347 461 1HE MET 60 1HE MET 60 8.749 1.981 -4.864 462 2HE MET 60 2HE MET 60 9.223 0.934 -6.199 463 3HE MET 60 3HE MET 60 9.229 0.308 -4.552 464 H ILE 61 H ILE 61 6.123 -3.427 -3.056 465 HA ILE 61 HA ILE 61 3.342 -3.132 -3.691 466 HB ILE 61 HB ILE 61 5.202 -5.514 -3.873 467 1HG1 ILE 61 2HG1 ILE 61 3.949 -3.995 -6.147 468 2HG1 ILE 61 1HG1 ILE 61 5.398 -3.367 -5.362 469 1HG2 ILE 61 1HG2 ILE 61 3.092 -6.004 -5.572 470 2HG2 ILE 61 2HG2 ILE 61 2.279 -5.288 -4.183 471 3HG2 ILE 61 3HG2 ILE 61 3.279 -6.725 -3.974 472 1HD1 ILE 61 1HD1 ILE 61 6.606 -5.420 -5.838 473 2HD1 ILE 61 2HD1 ILE 61 5.902 -4.818 -7.339 474 3HD1 ILE 61 3HD1 ILE 61 5.148 -6.167 -6.489 475 H ASP 62 H ASP 62 5.163 -5.208 -1.433 476 HA ASP 62 HA ASP 62 2.999 -6.571 -0.293 477 1HB ASP 62 2HB ASP 62 5.626 -6.751 0.094 478 2HB ASP 62 1HB ASP 62 5.247 -5.737 1.487 479 H GLU 63 H GLU 63 4.301 -3.357 0.382 480 HA GLU 63 HA GLU 63 2.761 -2.872 2.739 481 1HB GLU 63 2HB GLU 63 4.212 -1.059 0.813 482 2HB GLU 63 1HB GLU 63 3.296 -0.428 2.183 483 1HG GLU 63 2HG GLU 63 4.651 -1.716 3.744 484 2HG GLU 63 1HG GLU 63 5.505 -2.494 2.412 485 H VAL 64 H VAL 64 2.347 -1.786 -0.656 486 HA VAL 64 HA VAL 64 -0.159 -0.511 -0.176 487 HB VAL 64 HB VAL 64 1.261 0.077 -2.105 488 1HG1 VAL 64 1HG1 VAL 64 0.416 -2.594 -3.257 489 2HG1 VAL 64 2HG1 VAL 64 2.016 -2.260 -2.595 490 3HG1 VAL 64 3HG1 VAL 64 1.455 -1.392 -4.022 491 1HG2 VAL 64 1HG2 VAL 64 -0.507 0.454 -3.620 492 2HG2 VAL 64 2HG2 VAL 64 -1.326 0.286 -2.065 493 3HG2 VAL 64 3HG2 VAL 64 -1.307 -1.061 -3.202 494 H ASP 65 H ASP 65 0.739 -3.786 -1.148 495 HA ASP 65 HA ASP 65 -1.952 -4.611 -1.766 496 1HB ASP 65 2HB ASP 65 0.534 -5.667 -2.295 497 2HB ASP 65 1HB ASP 65 -0.046 -6.727 -1.014 498 H GLU 66 H GLU 66 -3.380 -4.441 -0.146 499 HA GLU 66 HA GLU 66 -2.865 -4.723 2.601 500 1HB GLU 66 2HB GLU 66 -5.306 -4.927 2.871 501 2HB GLU 66 1HB GLU 66 -4.881 -3.616 1.773 502 1HG GLU 66 2HG GLU 66 -5.137 -5.501 -0.073 503 2HG GLU 66 1HG GLU 66 -6.139 -6.269 1.158 504 H ASP 67 H ASP 67 -3.840 -7.119 0.193 505 HA ASP 67 HA ASP 67 -3.973 -9.205 2.247 506 1HB ASP 67 2HB ASP 67 -4.612 -10.668 0.243 507 2HB ASP 67 1HB ASP 67 -5.763 -9.425 0.723 508 H GLY 68 H GLY 68 -2.016 -8.241 -0.529 509 1HA GLY 68 2HA GLY 68 0.140 -8.826 -1.119 510 2HA GLY 68 1HA GLY 68 0.281 -9.650 0.432 511 H SER 69 H SER 69 -1.877 -10.102 -2.359 512 HA SER 69 HA SER 69 -1.598 -12.979 -2.202 513 1HB SER 69 2HB SER 69 -3.190 -12.968 -4.126 514 2HB SER 69 1HB SER 69 -3.780 -12.090 -2.719 515 HG SER 69 HG SER 69 -4.099 -10.712 -4.375 516 H GLY 70 H GLY 70 0.424 -10.722 -3.510 517 1HA GLY 70 2HA GLY 70 2.255 -11.028 -4.899 518 2HA GLY 70 1HA GLY 70 1.666 -12.645 -5.275 519 H THR 71 H THR 71 -0.638 -10.107 -5.580 520 HA THR 71 HA THR 71 -0.106 -9.667 -8.420 521 HB THR 71 HB THR 71 -2.263 -10.380 -9.170 522 HG1 THR 71 HG1 THR 71 -2.837 -10.922 -6.441 523 1HG2 THR 71 1HG2 THR 71 -0.638 -12.202 -8.932 524 2HG2 THR 71 2HG2 THR 71 -2.266 -12.787 -8.585 525 3HG2 THR 71 3HG2 THR 71 -1.147 -12.455 -7.261 526 H VAL 72 H VAL 72 -0.569 -7.613 -8.980 527 HA VAL 72 HA VAL 72 -1.792 -5.897 -6.951 528 HB VAL 72 HB VAL 72 -0.657 -5.037 -9.615 529 1HG1 VAL 72 1HG1 VAL 72 -0.384 -2.883 -8.409 530 2HG1 VAL 72 2HG1 VAL 72 -1.158 -3.597 -6.994 531 3HG1 VAL 72 3HG1 VAL 72 -2.073 -3.387 -8.487 532 1HG2 VAL 72 1HG2 VAL 72 0.709 -5.406 -6.934 533 2HG2 VAL 72 2HG2 VAL 72 1.398 -4.481 -8.268 534 3HG2 VAL 72 3HG2 VAL 72 1.113 -6.211 -8.451 535 H ASP 73 H ASP 73 -3.824 -5.286 -6.995 536 HA ASP 73 HA ASP 73 -5.486 -5.845 -9.343 537 1HB ASP 73 2HB ASP 73 -6.202 -4.769 -6.594 538 2HB ASP 73 1HB ASP 73 -7.362 -5.158 -7.865 539 H PHE 74 H PHE 74 -7.004 -4.052 -10.078 540 HA PHE 74 HA PHE 74 -5.515 -1.795 -10.846 541 1HB PHE 74 2HB PHE 74 -7.671 -2.687 -11.912 542 2HB PHE 74 1HB PHE 74 -8.521 -1.746 -10.685 543 HD1 PHE 74 HD1 PHE 74 -5.375 -1.088 -12.608 544 HD2 PHE 74 HD2 PHE 74 -9.387 0.170 -11.723 545 HE1 PHE 74 HE1 PHE 74 -5.041 0.956 -13.972 546 HE2 PHE 74 HE2 PHE 74 -9.045 2.218 -13.082 547 HZ PHE 74 HZ PHE 74 -6.873 2.608 -14.204 548 H ASP 75 H ASP 75 -7.559 -2.347 -8.037 549 HA ASP 75 HA ASP 75 -7.739 0.374 -7.182 550 1HB ASP 75 2HB ASP 75 -7.925 -2.197 -5.581 551 2HB ASP 75 1HB ASP 75 -8.356 -0.596 -4.980 552 H GLU 76 H GLU 76 -5.510 -2.301 -6.500 553 HA GLU 76 HA GLU 76 -3.895 -0.798 -4.641 554 1HB GLU 76 2HB GLU 76 -3.187 -3.353 -6.104 555 2HB GLU 76 1HB GLU 76 -2.425 -2.723 -4.644 556 1HG GLU 76 2HG GLU 76 -4.456 -3.047 -3.363 557 2HG GLU 76 1HG GLU 76 -5.364 -3.458 -4.815 558 H PHE 77 H PHE 77 -3.964 -1.345 -8.083 559 HA PHE 77 HA PHE 77 -1.296 -0.631 -8.727 560 1HB PHE 77 2HB PHE 77 -3.298 -1.694 -10.162 561 2HB PHE 77 1HB PHE 77 -3.521 -0.014 -10.621 562 HD1 PHE 77 HD1 PHE 77 -3.007 -0.803 -12.943 563 HD2 PHE 77 HD2 PHE 77 -0.093 -0.958 -9.784 564 HE1 PHE 77 HE1 PHE 77 -1.194 -1.032 -14.614 565 HE2 PHE 77 HE2 PHE 77 1.708 -1.176 -11.458 566 HZ PHE 77 HZ PHE 77 1.163 -1.218 -13.878 567 H LEU 78 H LEU 78 -4.339 1.222 -8.753 568 HA LEU 78 HA LEU 78 -3.115 3.705 -9.462 569 1HB LEU 78 2HB LEU 78 -5.808 2.863 -8.490 570 2HB LEU 78 1HB LEU 78 -5.383 4.563 -8.422 571 HG LEU 78 HG LEU 78 -5.312 4.764 -10.755 572 1HD1 LEU 78 1HD1 LEU 78 -5.065 2.935 -12.309 573 2HD1 LEU 78 2HD1 LEU 78 -5.289 1.745 -11.027 574 3HD1 LEU 78 3HD1 LEU 78 -3.833 2.738 -11.065 575 1HD2 LEU 78 1HD2 LEU 78 -7.371 2.574 -10.394 576 2HD2 LEU 78 2HD2 LEU 78 -7.427 3.937 -11.511 577 3HD2 LEU 78 3HD2 LEU 78 -7.602 4.210 -9.778 578 H VAL 79 H VAL 79 -3.805 2.090 -6.409 579 HA VAL 79 HA VAL 79 -3.518 4.308 -4.674 580 HB VAL 79 HB VAL 79 -3.245 1.335 -4.363 581 1HG1 VAL 79 1HG1 VAL 79 -2.733 1.696 -1.943 582 2HG1 VAL 79 2HG1 VAL 79 -2.451 3.403 -2.292 583 3HG1 VAL 79 3HG1 VAL 79 -1.409 2.173 -3.010 584 1HG2 VAL 79 1HG2 VAL 79 -4.838 3.258 -2.679 585 2HG2 VAL 79 2HG2 VAL 79 -5.171 1.564 -3.043 586 3HG2 VAL 79 3HG2 VAL 79 -5.409 2.795 -4.282 587 H MET 80 H MET 80 -1.157 1.851 -5.727 588 HA MET 80 HA MET 80 1.136 2.705 -4.485 589 1HB MET 80 2HB MET 80 0.545 0.901 -6.497 590 2HB MET 80 1HB MET 80 1.628 2.042 -7.290 591 1HG MET 80 2HG MET 80 2.412 1.185 -4.558 592 2HG MET 80 1HG MET 80 2.511 -0.046 -5.816 593 1HE MET 80 1HE MET 80 4.110 1.829 -8.625 594 2HE MET 80 2HE MET 80 3.068 0.531 -8.049 595 3HE MET 80 3HE MET 80 4.817 0.336 -7.993 596 H MET 81 H MET 81 -0.508 4.261 -7.184 597 HA MET 81 HA MET 81 1.607 5.895 -8.109 598 1HB MET 81 2HB MET 81 -0.531 5.563 -9.334 599 2HB MET 81 1HB MET 81 -1.356 6.519 -8.106 600 1HG MET 81 2HG MET 81 0.107 8.446 -8.626 601 2HG MET 81 1HG MET 81 0.911 7.493 -9.872 602 1HE MET 81 1HE MET 81 -2.318 8.361 -8.368 603 2HE MET 81 2HE MET 81 -3.215 7.225 -9.372 604 3HE MET 81 3HE MET 81 -3.376 8.957 -9.655 605 H VAL 82 H VAL 82 -1.105 6.701 -5.918 606 HA VAL 82 HA VAL 82 -0.065 9.242 -5.169 607 HB VAL 82 HB VAL 82 -1.707 9.110 -3.284 608 1HG1 VAL 82 1HG1 VAL 82 -2.831 8.265 -5.968 609 2HG1 VAL 82 2HG1 VAL 82 -2.293 9.901 -5.590 610 3HG1 VAL 82 3HG1 VAL 82 -3.659 9.202 -4.723 611 1HG2 VAL 82 1HG2 VAL 82 -1.489 6.585 -3.062 612 2HG2 VAL 82 2HG2 VAL 82 -2.484 6.453 -4.513 613 3HG2 VAL 82 3HG2 VAL 82 -3.143 7.199 -3.056 614 H ARG 83 H ARG 83 0.469 5.996 -3.969 615 HA ARG 83 HA ARG 83 1.563 6.659 -1.434 616 1HB ARG 83 2HB ARG 83 2.177 4.277 -3.205 617 2HB ARG 83 1HB ARG 83 2.579 4.415 -1.495 618 1HG ARG 83 2HG ARG 83 -0.154 5.034 -1.633 619 2HG ARG 83 1HG ARG 83 0.054 3.674 -2.733 620 1HD ARG 83 2HD ARG 83 0.705 2.234 -1.059 621 2HD ARG 83 1HD ARG 83 1.423 3.515 -0.088 622 HE ARG 83 HE ARG 83 -1.406 3.836 -0.207 623 1HH1 ARG 83 2HH1 ARG 83 1.087 1.843 1.214 624 2HH1 ARG 83 1HH1 ARG 83 0.144 1.444 2.609 625 1HH2 ARG 83 1HH2 ARG 83 -2.621 3.299 1.629 626 2HH2 ARG 83 2HH2 ARG 83 -1.950 2.265 2.845 627 H CYS 84 H CYS 84 2.933 6.449 -4.681 628 HA CYS 84 HA CYS 84 5.642 6.957 -3.697 629 1HB CYS 84 2HB CYS 84 4.464 6.303 -6.381 630 2HB CYS 84 1HB CYS 84 6.085 6.989 -6.266 631 HG CYS 84 HG CYS 84 5.978 4.251 -6.091 632 H MET 85 H MET 85 3.125 8.593 -5.611 633 HA MET 85 HA MET 85 4.695 10.912 -6.193 634 1HB MET 85 2HB MET 85 1.835 10.140 -6.476 635 2HB MET 85 1HB MET 85 2.198 11.865 -6.443 636 1HG MET 85 2HG MET 85 3.775 9.996 -8.206 637 2HG MET 85 1HG MET 85 2.228 10.651 -8.742 638 1HE MET 85 1HE MET 85 4.363 12.569 -10.881 639 2HE MET 85 2HE MET 85 2.722 13.090 -10.504 640 3HE MET 85 3HE MET 85 3.099 11.370 -10.571 641 H LYS 86 H LYS 86 2.076 10.302 -3.846 642 HA LYS 86 HA LYS 86 1.645 11.197 -1.777 643 1HB LYS 86 2HB LYS 86 4.140 11.052 -1.437 644 2HB LYS 86 1HB LYS 86 4.252 12.713 -2.015 645 1HG LYS 86 2HG LYS 86 4.142 12.885 0.358 646 2HG LYS 86 1HG LYS 86 2.525 13.301 -0.213 647 1HD LYS 86 2HD LYS 86 1.630 11.213 0.423 648 2HD LYS 86 1HD LYS 86 3.222 10.461 0.521 649 1HE LYS 86 2HE LYS 86 2.725 12.791 2.310 650 2HE LYS 86 1HE LYS 86 1.892 11.289 2.707 651 1HZ LYS 86 1HZ LYS 86 4.812 11.504 2.215 652 2HZ LYS 86 2HZ LYS 86 3.968 10.131 2.752 653 3HZ LYS 86 3HZ LYS 86 4.099 11.497 3.753 654 H ASP 87 H ASP 87 0.241 12.760 -1.309 655 HA ASP 87 HA ASP 87 0.033 15.042 -3.126 656 1HB ASP 87 2HB ASP 87 -1.888 13.467 -2.065 657 2HB ASP 87 1HB ASP 87 -1.872 14.758 -0.864 658 H ASP 88 H ASP 88 2.260 15.530 -1.930 659 HA ASP 88 HA ASP 88 1.797 17.108 0.508 660 1HB ASP 88 2HB ASP 88 4.264 17.229 0.652 661 2HB ASP 88 1HB ASP 88 3.690 15.564 0.588 662 H SER 89 HN SER 89 2.810 17.434 -2.858 663 HA SER 89 HA SER 89 3.517 20.213 -2.655 664 1HB SER 89 2HB SER 89 4.393 18.645 -4.421 665 2HB SER 89 1HB SER 89 2.791 18.667 -5.153 666 HG SER 89 HG SER 89 3.207 20.576 -5.926 Start of MODEL 21 1 1H MET 1 1H MET 1 -5.476 13.598 7.937 2 2H MET 1 2H MET 1 -5.837 12.463 9.149 3 3H MET 1 3H MET 1 -6.854 13.801 8.906 4 HA MET 1 HA MET 1 -7.848 11.807 7.981 5 1HB MET 1 2HB MET 1 -6.933 14.028 6.169 6 2HB MET 1 1HB MET 1 -7.870 12.688 5.508 7 1HG MET 1 2HG MET 1 -9.733 13.155 6.902 8 2HG MET 1 1HG MET 1 -8.783 14.199 7.960 9 1HE MET 1 1HE MET 1 -11.305 16.598 6.521 10 2HE MET 1 2HE MET 1 -11.099 15.206 7.582 11 3HE MET 1 3HE MET 1 -11.747 14.980 5.959 12 H ASN 2 H ASN 2 -7.343 9.793 7.424 13 HA ASN 2 HA ASN 2 -4.862 9.315 5.874 14 1HB ASN 2 2HB ASN 2 -4.865 7.048 6.893 15 2HB ASN 2 1HB ASN 2 -4.737 8.329 8.098 16 1HD2 ASN 2 1HD2 ASN 2 -6.904 5.845 6.782 17 2HD2 ASN 2 2HD2 ASN 2 -8.057 5.952 8.022 18 H ASP 3 H ASP 3 -7.789 9.811 5.000 19 HA ASP 3 HA ASP 3 -8.177 7.305 3.477 20 1HB ASP 3 2HB ASP 3 -10.135 9.517 4.149 21 2HB ASP 3 1HB ASP 3 -10.499 8.144 3.104 22 H ILE 4 H ILE 4 -6.231 9.403 2.802 23 HA ILE 4 HA ILE 4 -7.331 10.840 0.535 24 HB ILE 4 HB ILE 4 -5.028 11.644 0.186 25 1HG1 ILE 4 2HG1 ILE 4 -3.488 10.937 2.267 26 2HG1 ILE 4 1HG1 ILE 4 -4.446 9.462 2.150 27 1HG2 ILE 4 1HG2 ILE 4 -5.947 11.717 3.076 28 2HG2 ILE 4 2HG2 ILE 4 -6.477 12.805 1.793 29 3HG2 ILE 4 3HG2 ILE 4 -4.802 12.840 2.344 30 1HD1 ILE 4 1HD1 ILE 4 -3.732 10.160 -0.501 31 2HD1 ILE 4 2HD1 ILE 4 -3.139 8.797 0.447 32 3HD1 ILE 4 3HD1 ILE 4 -2.271 10.331 0.472 33 H TYR 5 H TYR 5 -5.713 7.819 1.097 34 HA TYR 5 HA TYR 5 -4.674 7.373 -1.512 35 1HB TYR 5 2HB TYR 5 -5.594 5.283 0.478 36 2HB TYR 5 1HB TYR 5 -4.472 5.046 -0.862 37 HD1 TYR 5 HD1 TYR 5 -2.228 6.152 -0.833 38 HD2 TYR 5 HD2 TYR 5 -4.885 6.302 2.539 39 HE1 TYR 5 HE1 TYR 5 -0.355 6.876 0.611 40 HE2 TYR 5 HE2 TYR 5 -3.011 7.023 3.984 41 HH TYR 5 HH TYR 5 -0.148 6.627 3.621 42 H LYS 6 H LYS 6 -7.818 6.915 -0.031 43 HA LYS 6 HA LYS 6 -8.881 5.545 -2.399 44 1HB LYS 6 2HB LYS 6 -10.045 6.171 0.320 45 2HB LYS 6 1HB LYS 6 -11.004 5.498 -0.997 46 1HG LYS 6 2HG LYS 6 -10.331 3.508 -0.082 47 2HG LYS 6 1HG LYS 6 -8.899 3.801 -1.068 48 1HD LYS 6 2HD LYS 6 -8.009 3.342 1.067 49 2HD LYS 6 1HD LYS 6 -8.003 5.102 0.991 50 1HE LYS 6 2HE LYS 6 -9.086 4.939 2.993 51 2HE LYS 6 1HE LYS 6 -10.501 4.663 1.979 52 1HZ LYS 6 1HZ LYS 6 -8.743 2.554 3.116 53 2HZ LYS 6 2HZ LYS 6 -10.099 2.283 2.127 54 3HZ LYS 6 3HZ LYS 6 -10.293 2.959 3.673 55 H ALA 7 H ALA 7 -9.080 8.624 -0.683 56 HA ALA 7 HA ALA 7 -11.280 9.675 -2.189 57 1HB ALA 7 1HB ALA 7 -10.849 10.642 -0.043 58 2HB ALA 7 2HB ALA 7 -10.487 11.881 -1.245 59 3HB ALA 7 3HB ALA 7 -9.174 10.995 -0.469 60 H ALA 8 H ALA 8 -7.771 9.695 -2.584 61 HA ALA 8 HA ALA 8 -7.768 11.678 -4.677 62 1HB ALA 8 1HB ALA 8 -5.781 11.328 -3.280 63 2HB ALA 8 2HB ALA 8 -5.413 11.039 -4.980 64 3HB ALA 8 3HB ALA 8 -5.641 9.678 -3.884 65 H VAL 9 H VAL 9 -7.530 8.126 -4.559 66 HA VAL 9 HA VAL 9 -7.162 7.738 -7.338 67 HB VAL 9 HB VAL 9 -6.737 6.020 -5.550 68 1HG1 VAL 9 1HG1 VAL 9 -8.621 4.653 -4.788 69 2HG1 VAL 9 2HG1 VAL 9 -9.745 5.665 -5.694 70 3HG1 VAL 9 3HG1 VAL 9 -8.865 6.334 -4.321 71 1HG2 VAL 9 1HG2 VAL 9 -7.009 5.571 -8.066 72 2HG2 VAL 9 2HG2 VAL 9 -8.622 4.980 -7.671 73 3HG2 VAL 9 3HG2 VAL 9 -7.201 4.187 -6.992 74 H GLU 10 H GLU 10 -10.048 8.314 -5.425 75 HA GLU 10 HA GLU 10 -11.857 7.502 -7.537 76 1HB GLU 10 2HB GLU 10 -13.629 8.199 -6.049 77 2HB GLU 10 1HB GLU 10 -12.440 7.281 -5.127 78 1HG GLU 10 2HG GLU 10 -11.566 9.212 -4.096 79 2HG GLU 10 1HG GLU 10 -12.282 10.289 -5.292 80 H GLN 11 H GLN 11 -10.189 10.428 -6.641 81 HA GLN 11 HA GLN 11 -11.911 11.954 -8.506 82 1HB GLN 11 2HB GLN 11 -11.474 13.941 -7.267 83 2HB GLN 11 1HB GLN 11 -11.907 12.702 -6.091 84 1HG GLN 11 2HG GLN 11 -9.449 12.270 -5.747 85 2HG GLN 11 1HG GLN 11 -9.112 13.657 -6.782 86 1HE2 GLN 11 1HE2 GLN 11 -11.082 12.851 -3.856 87 2HE2 GLN 11 2HE2 GLN 11 -10.826 14.350 -3.103 88 H LEU 12 H LEU 12 -9.189 10.360 -8.812 89 HA LEU 12 HA LEU 12 -7.300 12.369 -9.604 90 1HB LEU 12 2HB LEU 12 -6.292 10.341 -10.901 91 2HB LEU 12 1HB LEU 12 -6.186 10.424 -9.160 92 HG LEU 12 HG LEU 12 -7.943 8.794 -8.916 93 1HD1 LEU 12 1HD1 LEU 12 -8.228 9.096 -11.914 94 2HD1 LEU 12 2HD1 LEU 12 -9.458 9.379 -10.684 95 3HD1 LEU 12 3HD1 LEU 12 -8.911 7.738 -11.020 96 1HD2 LEU 12 1HD2 LEU 12 -6.871 6.871 -9.946 97 2HD2 LEU 12 2HD2 LEU 12 -5.622 8.008 -9.442 98 3HD2 LEU 12 3HD2 LEU 12 -6.086 7.904 -11.141 99 H THR 13 H THR 13 -6.351 12.048 -11.999 100 HA THR 13 HA THR 13 -8.465 12.985 -13.745 101 HB THR 13 HB THR 13 -6.318 12.788 -15.388 102 HG1 THR 13 HG1 THR 13 -4.887 11.985 -13.952 103 1HG2 THR 13 1HG2 THR 13 -7.250 14.888 -15.234 104 2HG2 THR 13 2HG2 THR 13 -5.759 15.158 -14.331 105 3HG2 THR 13 3HG2 THR 13 -7.272 14.869 -13.471 106 H ASP 14 H ASP 14 -8.655 12.138 -15.979 107 HA ASP 14 HA ASP 14 -9.182 9.317 -15.952 108 1HB ASP 14 2HB ASP 14 -10.454 11.048 -17.315 109 2HB ASP 14 1HB ASP 14 -9.055 11.104 -18.389 110 H GLU 15 H GLU 15 -6.573 11.387 -17.005 111 HA GLU 15 HA GLU 15 -5.221 9.540 -18.690 112 1HB GLU 15 2HB GLU 15 -3.357 11.043 -18.586 113 2HB GLU 15 1HB GLU 15 -4.818 12.025 -18.606 114 1HG GLU 15 2HG GLU 15 -3.994 13.056 -16.776 115 2HG GLU 15 1HG GLU 15 -4.385 11.582 -15.895 116 H GLN 16 H GLN 16 -5.271 10.051 -15.223 117 HA GLN 16 HA GLN 16 -2.965 8.436 -14.635 118 1HB GLN 16 2HB GLN 16 -5.101 9.797 -13.065 119 2HB GLN 16 1HB GLN 16 -4.290 8.431 -12.299 120 1HG GLN 16 2HG GLN 16 -2.167 9.466 -12.429 121 2HG GLN 16 1HG GLN 16 -2.716 10.629 -13.635 122 1HE2 GLN 16 1HE2 GLN 16 -4.072 9.682 -10.420 123 2HE2 GLN 16 2HE2 GLN 16 -4.118 11.269 -9.821 124 H LYS 17 H LYS 17 -6.478 7.952 -14.656 125 HA LYS 17 HA LYS 17 -6.519 5.313 -13.639 126 1HB LYS 17 2HB LYS 17 -8.427 6.712 -15.533 127 2HB LYS 17 1HB LYS 17 -8.741 5.151 -14.774 128 1HG LYS 17 2HG LYS 17 -8.928 6.073 -12.639 129 2HG LYS 17 1HG LYS 17 -7.973 7.493 -13.062 130 1HD LYS 17 2HD LYS 17 -10.060 8.463 -13.110 131 2HD LYS 17 1HD LYS 17 -10.007 7.869 -14.768 132 1HE LYS 17 2HE LYS 17 -10.952 5.899 -12.776 133 2HE LYS 17 1HE LYS 17 -12.012 7.289 -13.006 134 1HZ LYS 17 1HZ LYS 17 -12.538 5.491 -14.540 135 2HZ LYS 17 2HZ LYS 17 -10.963 5.547 -15.173 136 3HZ LYS 17 3HZ LYS 17 -12.011 6.869 -15.377 137 H ASN 18 H ASN 18 -6.337 6.591 -16.950 138 HA ASN 18 HA ASN 18 -6.264 3.997 -18.192 139 1HB ASN 18 2HB ASN 18 -5.825 6.811 -19.141 140 2HB ASN 18 1HB ASN 18 -5.363 5.456 -20.169 141 1HD2 ASN 18 1HD2 ASN 18 -8.183 6.700 -18.297 142 2HD2 ASN 18 2HD2 ASN 18 -9.347 6.040 -19.341 143 H GLU 19 H GLU 19 -3.879 6.201 -16.884 144 HA GLU 19 HA GLU 19 -1.554 5.341 -18.176 145 1HB GLU 19 2HB GLU 19 -1.738 7.268 -16.556 146 2HB GLU 19 1HB GLU 19 -1.748 6.086 -15.248 147 1HG GLU 19 2HG GLU 19 0.459 5.419 -15.660 148 2HG GLU 19 1HG GLU 19 0.434 6.019 -17.318 149 H PHE 20 H PHE 20 -3.058 4.104 -15.181 150 HA PHE 20 HA PHE 20 -1.176 1.895 -15.033 151 1HB PHE 20 2HB PHE 20 -3.503 2.803 -13.362 152 2HB PHE 20 1HB PHE 20 -2.780 1.213 -13.122 153 HD1 PHE 20 HD1 PHE 20 -2.249 4.849 -12.874 154 HD2 PHE 20 HD2 PHE 20 -0.490 0.977 -12.311 155 HE1 PHE 20 HE1 PHE 20 -0.420 5.874 -11.550 156 HE2 PHE 20 HE2 PHE 20 1.335 1.989 -10.979 157 HZ PHE 20 HZ PHE 20 1.374 4.443 -10.601 158 H LYS 21 H LYS 21 -4.670 2.316 -15.644 159 HA LYS 21 HA LYS 21 -5.429 -0.342 -15.890 160 1HB LYS 21 2HB LYS 21 -7.020 1.530 -15.926 161 2HB LYS 21 1HB LYS 21 -6.443 1.994 -17.524 162 1HG LYS 21 2HG LYS 21 -7.235 -0.842 -17.283 163 2HG LYS 21 1HG LYS 21 -8.556 0.307 -17.074 164 1HD LYS 21 2HD LYS 21 -6.653 0.719 -19.352 165 2HD LYS 21 1HD LYS 21 -7.881 -0.539 -19.494 166 1HE LYS 21 2HE LYS 21 -9.658 1.006 -19.282 167 2HE LYS 21 1HE LYS 21 -8.605 2.255 -18.618 168 1HZ LYS 21 1HZ LYS 21 -7.510 2.447 -20.743 169 2HZ LYS 21 2HZ LYS 21 -9.183 2.665 -20.943 170 3HZ LYS 21 3HZ LYS 21 -8.456 1.196 -21.389 171 H ALA 22 H ALA 22 -3.781 1.703 -18.271 172 HA ALA 22 HA ALA 22 -4.064 0.022 -20.527 173 1HB ALA 22 1HB ALA 22 -2.011 1.177 -21.368 174 2HB ALA 22 2HB ALA 22 -1.840 1.940 -19.787 175 3HB ALA 22 3HB ALA 22 -3.247 2.295 -20.789 176 H ALA 23 H ALA 23 -1.355 0.331 -18.230 177 HA ALA 23 HA ALA 23 0.122 -1.895 -19.205 178 1HB ALA 23 1HB ALA 23 0.165 -0.511 -16.507 179 2HB ALA 23 2HB ALA 23 1.233 -0.190 -17.875 180 3HB ALA 23 3HB ALA 23 1.333 -1.729 -17.021 181 H PHE 24 H PHE 24 -2.346 -1.470 -16.745 182 HA PHE 24 HA PHE 24 -2.191 -3.961 -15.450 183 1HB PHE 24 2HB PHE 24 -3.574 -1.881 -14.820 184 2HB PHE 24 1HB PHE 24 -4.773 -2.484 -15.960 185 HD1 PHE 24 HD1 PHE 24 -5.719 -4.821 -15.629 186 HD2 PHE 24 HD2 PHE 24 -3.355 -2.821 -12.657 187 HE1 PHE 24 HE1 PHE 24 -6.569 -6.379 -13.902 188 HE2 PHE 24 HE2 PHE 24 -4.204 -4.376 -10.933 189 HZ PHE 24 HZ PHE 24 -5.814 -6.149 -11.553 190 H ASP 25 H ASP 25 -4.118 -2.915 -18.257 191 HA ASP 25 HA ASP 25 -5.527 -5.319 -18.665 192 1HB ASP 25 2HB ASP 25 -5.871 -2.977 -19.733 193 2HB ASP 25 1HB ASP 25 -4.728 -3.541 -20.950 194 H ILE 26 H ILE 26 -2.407 -4.239 -20.011 195 HA ILE 26 HA ILE 26 -2.118 -6.534 -21.708 196 HB ILE 26 HB ILE 26 0.239 -5.769 -21.984 197 1HG1 ILE 26 2HG1 ILE 26 -0.597 -3.530 -20.110 198 2HG1 ILE 26 1HG1 ILE 26 0.480 -4.849 -19.659 199 1HG2 ILE 26 1HG2 ILE 26 -0.349 -3.678 -23.123 200 2HG2 ILE 26 2HG2 ILE 26 -1.850 -3.580 -22.201 201 3HG2 ILE 26 3HG2 ILE 26 -1.617 -4.879 -23.371 202 1HD1 ILE 26 1HD1 ILE 26 1.330 -3.600 -22.144 203 2HD1 ILE 26 2HD1 ILE 26 2.238 -3.856 -20.654 204 3HD1 ILE 26 3HD1 ILE 26 1.225 -2.423 -20.834 205 H PHE 27 H PHE 27 -0.957 -5.713 -18.452 206 HA PHE 27 HA PHE 27 0.727 -8.015 -18.210 207 1HB PHE 27 2HB PHE 27 -0.422 -6.130 -16.149 208 2HB PHE 27 1HB PHE 27 0.664 -7.458 -15.746 209 HD1 PHE 27 HD1 PHE 27 2.509 -7.451 -18.079 210 HD2 PHE 27 HD2 PHE 27 0.883 -4.183 -15.813 211 HE1 PHE 27 HE1 PHE 27 4.439 -6.042 -18.725 212 HE2 PHE 27 HE2 PHE 27 2.816 -2.778 -16.465 213 HZ PHE 27 HZ PHE 27 4.594 -3.705 -17.918 214 H ILE 28 H ILE 28 -2.681 -7.382 -17.478 215 HA ILE 28 HA ILE 28 -2.935 -10.072 -16.299 216 HB ILE 28 HB ILE 28 -5.163 -9.449 -15.610 217 1HG1 ILE 28 2HG1 ILE 28 -5.607 -6.817 -16.162 218 2HG1 ILE 28 1HG1 ILE 28 -4.777 -7.318 -17.635 219 1HG2 ILE 28 1HG2 ILE 28 -3.097 -8.568 -14.370 220 2HG2 ILE 28 2HG2 ILE 28 -4.633 -7.769 -14.030 221 3HG2 ILE 28 3HG2 ILE 28 -3.462 -7.008 -15.107 222 1HD1 ILE 28 1HD1 ILE 28 -6.429 -8.850 -18.210 223 2HD1 ILE 28 2HD1 ILE 28 -7.393 -7.586 -17.441 224 3HD1 ILE 28 3HD1 ILE 28 -6.971 -9.045 -16.543 225 H GLN 29 H GLN 29 -2.739 -9.069 -19.330 226 HA GLN 29 HA GLN 29 -5.045 -9.747 -20.715 227 1HB GLN 29 2HB GLN 29 -3.131 -8.778 -21.848 228 2HB GLN 29 1HB GLN 29 -2.153 -10.202 -21.493 229 1HG GLN 29 2HG GLN 29 -3.577 -11.592 -22.887 230 2HG GLN 29 1HG GLN 29 -4.695 -10.252 -23.148 231 1HE2 GLN 29 1HE2 GLN 29 -3.408 -8.158 -24.034 232 2HE2 GLN 29 2HE2 GLN 29 -2.322 -8.490 -25.296 233 H ASP 30 H ASP 30 -2.519 -11.865 -19.436 234 HA ASP 30 HA ASP 30 -3.871 -14.247 -20.483 235 1HB ASP 30 2HB ASP 30 -1.914 -15.476 -19.682 236 2HB ASP 30 1HB ASP 30 -1.417 -14.105 -20.671 237 H ALA 31 H ALA 31 -4.229 -12.360 -17.774 238 HA ALA 31 HA ALA 31 -4.728 -14.605 -15.945 239 1HB ALA 31 1HB ALA 31 -4.856 -12.959 -14.186 240 2HB ALA 31 2HB ALA 31 -4.842 -11.640 -15.358 241 3HB ALA 31 3HB ALA 31 -3.404 -12.637 -15.135 242 H GLU 32 H GLU 32 -6.711 -14.854 -14.894 243 HA GLU 32 HA GLU 32 -9.011 -13.450 -16.124 244 1HB GLU 32 2HB GLU 32 -8.732 -16.395 -15.483 245 2HB GLU 32 1HB GLU 32 -10.278 -15.620 -15.828 246 1HG GLU 32 2HG GLU 32 -7.920 -15.423 -17.714 247 2HG GLU 32 1HG GLU 32 -9.101 -16.727 -17.817 248 H ASP 33 H ASP 33 -7.771 -12.579 -13.801 249 HA ASP 33 HA ASP 33 -9.795 -13.235 -11.743 250 1HB ASP 33 2HB ASP 33 -7.452 -14.153 -11.290 251 2HB ASP 33 1HB ASP 33 -6.946 -12.474 -11.104 252 H GLY 34 H GLY 34 -7.438 -10.821 -12.879 253 1HA GLY 34 2HA GLY 34 -8.237 -8.546 -13.321 254 2HA GLY 34 1HA GLY 34 -9.235 -8.688 -11.877 255 H CYS 35 H CYS 35 -5.855 -9.672 -12.322 256 HA CYS 35 HA CYS 35 -4.814 -7.428 -10.811 257 1HB CYS 35 2HB CYS 35 -3.801 -8.884 -9.042 258 2HB CYS 35 1HB CYS 35 -5.557 -8.764 -8.939 259 HG CYS 35 HG CYS 35 -5.555 -11.234 -9.073 260 H ILE 36 H ILE 36 -2.626 -7.146 -11.110 261 HA ILE 36 HA ILE 36 -1.401 -8.842 -13.162 262 HB ILE 36 HB ILE 36 0.295 -7.127 -13.358 263 1HG1 ILE 36 2HG1 ILE 36 -0.409 -5.033 -11.704 264 2HG1 ILE 36 1HG1 ILE 36 -0.659 -6.434 -10.661 265 1HG2 ILE 36 1HG2 ILE 36 -2.529 -6.077 -13.110 266 2HG2 ILE 36 2HG2 ILE 36 -1.668 -6.552 -14.573 267 3HG2 ILE 36 3HG2 ILE 36 -1.203 -5.083 -13.716 268 1HD1 ILE 36 1HD1 ILE 36 1.814 -6.597 -12.235 269 2HD1 ILE 36 2HD1 ILE 36 1.563 -6.857 -10.507 270 3HD1 ILE 36 3HD1 ILE 36 1.780 -5.221 -11.133 271 H SER 37 H SER 37 1.126 -9.072 -12.797 272 HA SER 37 HA SER 37 1.402 -10.563 -10.291 273 1HB SER 37 2HB SER 37 2.078 -11.682 -12.371 274 2HB SER 37 1HB SER 37 3.233 -10.395 -12.698 275 HG SER 37 HG SER 37 3.247 -12.359 -10.676 276 H THR 38 H THR 38 2.249 -9.611 -8.576 277 HA THR 38 HA THR 38 3.439 -7.075 -8.483 278 HB THR 38 HB THR 38 4.224 -7.697 -6.225 279 HG1 THR 38 HG1 THR 38 4.849 -9.745 -6.291 280 1HG2 THR 38 1HG2 THR 38 1.457 -8.584 -7.034 281 2HG2 THR 38 2HG2 THR 38 1.935 -7.035 -6.348 282 3HG2 THR 38 3HG2 THR 38 1.967 -8.486 -5.351 283 H LYS 39 H LYS 39 4.803 -10.246 -9.057 284 HA LYS 39 HA LYS 39 7.558 -9.539 -8.739 285 1HB LYS 39 2HB LYS 39 6.407 -11.768 -10.438 286 2HB LYS 39 1HB LYS 39 8.049 -11.657 -9.803 287 1HG LYS 39 2HG LYS 39 7.396 -12.165 -7.638 288 2HG LYS 39 1HG LYS 39 5.772 -11.519 -7.867 289 1HD LYS 39 2HD LYS 39 5.378 -13.825 -7.837 290 2HD LYS 39 1HD LYS 39 5.499 -13.491 -9.565 291 1HE LYS 39 2HE LYS 39 6.906 -15.356 -9.293 292 2HE LYS 39 1HE LYS 39 8.035 -14.003 -9.252 293 1HZ LYS 39 1HZ LYS 39 8.336 -15.674 -7.448 294 2HZ LYS 39 2HZ LYS 39 6.830 -15.203 -6.820 295 3HZ LYS 39 3HZ LYS 39 8.109 -14.086 -6.897 296 H GLU 40 H GLU 40 5.260 -9.430 -11.404 297 HA GLU 40 HA GLU 40 7.301 -8.786 -13.368 298 1HB GLU 40 2HB GLU 40 5.731 -9.220 -14.937 299 2HB GLU 40 1HB GLU 40 4.886 -9.990 -13.602 300 1HG GLU 40 2HG GLU 40 3.687 -7.816 -13.190 301 2HG GLU 40 1HG GLU 40 4.442 -7.177 -14.648 302 H LEU 41 H LEU 41 6.199 -6.976 -10.920 303 HA LEU 41 HA LEU 41 5.240 -4.579 -11.968 304 1HB LEU 41 2HB LEU 41 6.051 -5.457 -9.476 305 2HB LEU 41 1HB LEU 41 7.175 -4.169 -9.832 306 HG LEU 41 HG LEU 41 5.249 -3.354 -8.553 307 1HD1 LEU 41 1HD1 LEU 41 4.755 -1.444 -9.904 308 2HD1 LEU 41 2HD1 LEU 41 5.023 -2.346 -11.395 309 3HD1 LEU 41 3HD1 LEU 41 6.385 -1.949 -10.349 310 1HD2 LEU 41 1HD2 LEU 41 3.637 -5.066 -9.466 311 2HD2 LEU 41 2HD2 LEU 41 3.578 -4.134 -10.962 312 3HD2 LEU 41 3HD2 LEU 41 2.999 -3.420 -9.456 313 H GLY 42 H GLY 42 8.478 -5.908 -12.102 314 1HA GLY 42 2HA GLY 42 10.006 -3.600 -12.530 315 2HA GLY 42 1HA GLY 42 10.378 -5.191 -13.190 316 H LYS 43 H LYS 43 8.028 -5.513 -14.767 317 HA LYS 43 HA LYS 43 8.787 -4.108 -17.147 318 1HB LYS 43 2HB LYS 43 6.293 -5.741 -16.594 319 2HB LYS 43 1HB LYS 43 6.862 -5.231 -18.182 320 1HG LYS 43 2HG LYS 43 8.546 -6.904 -16.303 321 2HG LYS 43 1HG LYS 43 7.476 -7.610 -17.512 322 1HD LYS 43 2HD LYS 43 8.737 -5.950 -19.141 323 2HD LYS 43 1HD LYS 43 9.990 -6.025 -17.902 324 1HE LYS 43 2HE LYS 43 9.802 -8.564 -18.043 325 2HE LYS 43 1HE LYS 43 8.817 -8.322 -19.485 326 1HZ LYS 43 1HZ LYS 43 11.605 -7.383 -19.081 327 2HZ LYS 43 2HZ LYS 43 10.654 -7.040 -20.447 328 3HZ LYS 43 3HZ LYS 43 11.104 -8.641 -20.102 329 H VAL 44 H VAL 44 6.632 -3.397 -14.554 330 HA VAL 44 HA VAL 44 5.019 -1.510 -16.094 331 HB VAL 44 HB VAL 44 4.914 -1.713 -13.104 332 1HG1 VAL 44 1HG1 VAL 44 2.543 -1.610 -14.904 333 2HG1 VAL 44 2HG1 VAL 44 3.575 -0.182 -14.843 334 3HG1 VAL 44 3HG1 VAL 44 2.829 -0.794 -13.366 335 1HG2 VAL 44 1HG2 VAL 44 3.041 -3.513 -14.427 336 2HG2 VAL 44 2HG2 VAL 44 4.111 -3.823 -13.064 337 3HG2 VAL 44 3HG2 VAL 44 4.711 -4.003 -14.709 338 H MET 45 H MET 45 7.396 -1.548 -13.465 339 HA MET 45 HA MET 45 7.500 1.130 -12.784 340 1HB MET 45 2HB MET 45 9.647 -0.981 -12.910 341 2HB MET 45 1HB MET 45 10.017 0.666 -12.399 342 1HG MET 45 2HG MET 45 7.717 -0.829 -11.161 343 2HG MET 45 1HG MET 45 9.361 -1.084 -10.581 344 1HE MET 45 1HE MET 45 6.555 1.843 -9.072 345 2HE MET 45 2HE MET 45 6.502 0.139 -9.515 346 3HE MET 45 3HE MET 45 6.299 1.370 -10.758 347 H ARG 46 H ARG 46 9.094 -0.520 -15.503 348 HA ARG 46 HA ARG 46 10.543 1.761 -16.415 349 1HB ARG 46 2HB ARG 46 10.832 0.504 -18.518 350 2HB ARG 46 1HB ARG 46 11.190 -0.490 -17.109 351 1HG ARG 46 2HG ARG 46 9.579 -1.965 -17.655 352 2HG ARG 46 1HG ARG 46 8.379 -0.683 -17.795 353 1HD ARG 46 2HD ARG 46 8.566 -1.753 -19.951 354 2HD ARG 46 1HD ARG 46 9.296 -0.157 -20.072 355 HE ARG 46 HE ARG 46 11.265 -2.117 -19.406 356 1HH1 ARG 46 2HH1 ARG 46 9.304 -0.929 -22.041 357 2HH1 ARG 46 1HH1 ARG 46 10.433 -1.407 -23.262 358 1HH2 ARG 46 1HH2 ARG 46 12.730 -2.735 -21.025 359 2HH2 ARG 46 2HH2 ARG 46 12.366 -2.426 -22.691 360 H MET 47 H MET 47 7.269 0.629 -16.944 361 HA MET 47 HA MET 47 6.726 2.432 -19.141 362 1HB MET 47 2HB MET 47 5.003 0.623 -17.449 363 2HB MET 47 1HB MET 47 4.309 1.734 -18.630 364 1HG MET 47 2HG MET 47 6.511 -0.192 -19.380 365 2HG MET 47 1HG MET 47 4.813 -0.663 -19.434 366 1HE MET 47 1HE MET 47 7.638 1.420 -20.653 367 2HE MET 47 2HE MET 47 7.225 1.750 -22.333 368 3HE MET 47 3HE MET 47 7.424 0.085 -21.795 369 H LEU 48 H LEU 48 6.340 2.435 -15.637 370 HA LEU 48 HA LEU 48 4.619 4.728 -15.511 371 1HB LEU 48 2HB LEU 48 6.116 3.051 -13.592 372 2HB LEU 48 1HB LEU 48 5.873 4.710 -13.098 373 HG LEU 48 HG LEU 48 4.084 3.501 -12.147 374 1HD1 LEU 48 1HD1 LEU 48 2.349 4.782 -12.893 375 2HD1 LEU 48 2HD1 LEU 48 2.573 4.291 -14.571 376 3HD1 LEU 48 3HD1 LEU 48 3.599 5.544 -13.873 377 1HD2 LEU 48 1HD2 LEU 48 3.028 2.336 -14.655 378 2HD2 LEU 48 2HD2 LEU 48 3.139 1.625 -13.043 379 3HD2 LEU 48 3HD2 LEU 48 4.553 1.649 -14.098 380 H GLY 49 H GLY 49 8.071 4.186 -15.597 381 1HA GLY 49 2HA GLY 49 9.419 6.007 -16.591 382 2HA GLY 49 1HA GLY 49 8.528 7.115 -15.555 383 H GLN 50 H GLN 50 9.625 3.960 -14.441 384 HA GLN 50 HA GLN 50 11.781 5.246 -12.873 385 1HB GLN 50 2HB GLN 50 9.945 3.121 -11.749 386 2HB GLN 50 1HB GLN 50 11.154 4.066 -10.885 387 1HG GLN 50 2HG GLN 50 8.729 5.286 -12.237 388 2HG GLN 50 1HG GLN 50 8.775 4.844 -10.532 389 1HE2 GLN 50 1HE2 GLN 50 8.793 7.566 -12.148 390 2HE2 GLN 50 2HE2 GLN 50 10.008 8.449 -11.359 391 H ASN 51 H ASN 51 13.359 3.662 -12.009 392 HA ASN 51 HA ASN 51 13.441 1.085 -13.409 393 1HB ASN 51 2HB ASN 51 14.640 2.952 -14.757 394 2HB ASN 51 1HB ASN 51 15.877 2.852 -13.505 395 1HD2 ASN 51 1HD2 ASN 51 17.540 1.482 -14.144 396 2HD2 ASN 51 2HD2 ASN 51 17.341 0.064 -15.055 397 HA PRO 52 HA PRO 52 15.206 0.990 -9.105 398 1HB PRO 52 2HB PRO 52 13.182 -0.395 -7.897 399 2HB PRO 52 1HB PRO 52 13.217 1.368 -8.033 400 1HG PRO 52 2HG PRO 52 11.539 -0.588 -9.458 401 2HG PRO 52 1HG PRO 52 11.256 1.132 -9.161 402 1HD PRO 52 2HD PRO 52 12.192 -0.079 -11.587 403 2HD PRO 52 1HD PRO 52 12.011 1.657 -11.247 404 H THR 53 H THR 53 14.778 -1.315 -7.601 405 HA THR 53 HA THR 53 15.898 -3.430 -9.340 406 HB THR 53 HB THR 53 17.158 -4.189 -7.515 407 HG1 THR 53 HG1 THR 53 16.364 -4.235 -5.577 408 1HG2 THR 53 1HG2 THR 53 18.215 -2.235 -6.491 409 2HG2 THR 53 2HG2 THR 53 16.852 -1.228 -6.976 410 3HG2 THR 53 3HG2 THR 53 17.905 -1.935 -8.201 411 HA PRO 54 HA PRO 54 12.476 -6.075 -8.438 412 1HB PRO 54 2HB PRO 54 13.593 -8.470 -7.711 413 2HB PRO 54 1HB PRO 54 13.550 -7.860 -9.372 414 1HG PRO 54 2HG PRO 54 15.820 -7.935 -7.448 415 2HG PRO 54 1HG PRO 54 15.831 -8.078 -9.213 416 1HD PRO 54 2HD PRO 54 16.514 -5.777 -7.801 417 2HD PRO 54 1HD PRO 54 16.025 -5.804 -9.510 418 H GLU 55 H GLU 55 14.875 -5.820 -5.896 419 HA GLU 55 HA GLU 55 13.150 -6.873 -3.815 420 1HB GLU 55 2HB GLU 55 15.787 -5.383 -3.659 421 2HB GLU 55 1HB GLU 55 14.949 -6.103 -2.284 422 1HG GLU 55 2HG GLU 55 15.035 -8.317 -3.499 423 2HG GLU 55 1HG GLU 55 16.078 -7.549 -4.695 424 H GLU 56 H GLU 56 14.166 -3.717 -5.063 425 HA GLU 56 HA GLU 56 12.974 -2.155 -2.990 426 1HB GLU 56 2HB GLU 56 13.876 -1.504 -5.795 427 2HB GLU 56 1HB GLU 56 13.144 -0.299 -4.735 428 1HG GLU 56 2HG GLU 56 14.917 -1.079 -2.996 429 2HG GLU 56 1HG GLU 56 15.747 -1.775 -4.388 430 H LEU 57 H LEU 57 11.924 -2.936 -6.327 431 HA LEU 57 HA LEU 57 9.476 -1.574 -6.233 432 1HB LEU 57 2HB LEU 57 8.809 -2.862 -8.130 433 2HB LEU 57 1HB LEU 57 10.491 -2.433 -8.302 434 HG LEU 57 HG LEU 57 10.874 -4.856 -7.293 435 1HD1 LEU 57 1HD1 LEU 57 7.997 -4.753 -7.983 436 2HD1 LEU 57 2HD1 LEU 57 8.852 -5.848 -6.897 437 3HD1 LEU 57 3HD1 LEU 57 8.865 -6.142 -8.636 438 1HD2 LEU 57 1HD2 LEU 57 11.596 -4.085 -9.519 439 2HD2 LEU 57 2HD2 LEU 57 9.960 -4.308 -10.138 440 3HD2 LEU 57 3HD2 LEU 57 10.906 -5.706 -9.627 441 H GLN 58 H GLN 58 10.327 -4.843 -5.162 442 HA GLN 58 HA GLN 58 7.728 -5.836 -4.742 443 1HB GLN 58 2HB GLN 58 9.832 -7.200 -4.642 444 2HB GLN 58 1HB GLN 58 10.166 -6.477 -3.069 445 1HG GLN 58 2HG GLN 58 9.064 -8.590 -2.677 446 2HG GLN 58 1HG GLN 58 7.913 -7.313 -2.294 447 1HE2 GLN 58 1HE2 GLN 58 6.009 -7.133 -3.614 448 2HE2 GLN 58 2HE2 GLN 58 5.643 -8.239 -4.847 449 H GLU 59 H GLU 59 9.892 -4.025 -2.567 450 HA GLU 59 HA GLU 59 8.259 -4.058 -0.273 451 1HB GLU 59 2HB GLU 59 10.426 -2.231 -1.259 452 2HB GLU 59 1HB GLU 59 9.497 -1.793 0.176 453 1HG GLU 59 2HG GLU 59 10.701 -4.543 -0.092 454 2HG GLU 59 1HG GLU 59 11.668 -3.191 0.499 455 H MET 60 H MET 60 8.344 -1.826 -3.033 456 HA MET 60 HA MET 60 6.481 0.058 -2.019 457 1HB MET 60 2HB MET 60 6.922 -0.637 -4.932 458 2HB MET 60 1HB MET 60 6.274 0.869 -4.284 459 1HG MET 60 2HG MET 60 8.532 1.004 -2.986 460 2HG MET 60 1HG MET 60 9.095 -0.170 -4.174 461 1HE MET 60 1HE MET 60 10.671 2.006 -6.419 462 2HE MET 60 2HE MET 60 9.651 0.663 -6.929 463 3HE MET 60 3HE MET 60 10.550 0.552 -5.417 464 H ILE 61 H ILE 61 6.140 -2.926 -3.846 465 HA ILE 61 HA ILE 61 3.344 -2.705 -4.367 466 HB ILE 61 HB ILE 61 5.097 -5.172 -4.203 467 1HG1 ILE 61 2HG1 ILE 61 4.089 -3.981 -6.758 468 2HG1 ILE 61 1HG1 ILE 61 5.447 -3.189 -5.956 469 1HG2 ILE 61 1HG2 ILE 61 3.039 -6.168 -4.184 470 2HG2 ILE 61 2HG2 ILE 61 3.091 -5.801 -5.908 471 3HG2 ILE 61 3HG2 ILE 61 2.224 -4.732 -4.806 472 1HD1 ILE 61 1HD1 ILE 61 6.019 -5.031 -7.658 473 2HD1 ILE 61 2HD1 ILE 61 5.418 -6.167 -6.453 474 3HD1 ILE 61 3HD1 ILE 61 6.797 -5.134 -6.082 475 H ASP 62 H ASP 62 5.218 -4.438 -1.872 476 HA ASP 62 HA ASP 62 3.147 -5.683 -0.500 477 1HB ASP 62 2HB ASP 62 5.646 -4.452 0.690 478 2HB ASP 62 1HB ASP 62 4.604 -5.623 1.493 479 H GLU 63 H GLU 63 4.264 -2.331 -0.277 480 HA GLU 63 HA GLU 63 2.864 -1.517 2.010 481 1HB GLU 63 2HB GLU 63 3.764 -0.058 -0.462 482 2HB GLU 63 1HB GLU 63 2.827 0.769 0.782 483 1HG GLU 63 2HG GLU 63 5.192 -0.858 1.634 484 2HG GLU 63 1HG GLU 63 5.480 0.716 0.892 485 H VAL 64 H VAL 64 1.825 -1.436 -1.412 486 HA VAL 64 HA VAL 64 -0.847 -0.567 -0.676 487 HB VAL 64 HB VAL 64 -1.335 -0.517 -3.022 488 1HG1 VAL 64 1HG1 VAL 64 0.289 1.190 -2.027 489 2HG1 VAL 64 2HG1 VAL 64 0.309 1.027 -3.783 490 3HG1 VAL 64 3HG1 VAL 64 1.575 0.273 -2.813 491 1HG2 VAL 64 1HG2 VAL 64 1.303 -1.933 -3.506 492 2HG2 VAL 64 2HG2 VAL 64 0.099 -1.489 -4.715 493 3HG2 VAL 64 3HG2 VAL 64 -0.264 -2.744 -3.529 494 H ASP 65 H ASP 65 0.765 -3.599 -1.336 495 HA ASP 65 HA ASP 65 -1.629 -5.103 -1.862 496 1HB ASP 65 2HB ASP 65 1.107 -5.590 -2.128 497 2HB ASP 65 1HB ASP 65 0.599 -6.681 -0.844 498 H GLU 66 H GLU 66 -2.938 -4.433 -0.117 499 HA GLU 66 HA GLU 66 -2.347 -4.690 2.624 500 1HB GLU 66 2HB GLU 66 -5.067 -5.103 1.359 501 2HB GLU 66 1HB GLU 66 -4.729 -4.606 3.017 502 1HG GLU 66 2HG GLU 66 -3.525 -2.587 2.021 503 2HG GLU 66 1HG GLU 66 -4.245 -3.043 0.476 504 H ASP 67 H ASP 67 -3.746 -6.984 0.329 505 HA ASP 67 HA ASP 67 -4.052 -9.068 2.312 506 1HB ASP 67 2HB ASP 67 -4.563 -10.497 0.263 507 2HB ASP 67 1HB ASP 67 -5.652 -9.144 0.557 508 H GLY 68 H GLY 68 -1.770 -8.285 -0.284 509 1HA GLY 68 2HA GLY 68 0.421 -8.952 -0.593 510 2HA GLY 68 1HA GLY 68 0.339 -9.775 0.963 511 H SER 69 H SER 69 -1.567 -10.171 -2.013 512 HA SER 69 HA SER 69 -1.215 -13.062 -1.858 513 1HB SER 69 2HB SER 69 -2.879 -13.139 -3.667 514 2HB SER 69 1HB SER 69 -3.449 -12.170 -2.313 515 HG SER 69 HG SER 69 -3.470 -10.487 -3.574 516 H GLY 70 H GLY 70 0.642 -10.655 -3.158 517 1HA GLY 70 2HA GLY 70 2.454 -10.807 -4.594 518 2HA GLY 70 1HA GLY 70 1.980 -12.462 -4.968 519 H THR 71 H THR 71 -0.441 -9.993 -5.190 520 HA THR 71 HA THR 71 -0.054 -9.638 -8.071 521 HB THR 71 HB THR 71 -2.309 -10.292 -8.633 522 HG1 THR 71 HG1 THR 71 -2.609 -10.889 -5.872 523 1HG2 THR 71 1HG2 THR 71 -0.601 -12.092 -8.512 524 2HG2 THR 71 2HG2 THR 71 -2.221 -12.691 -8.155 525 3HG2 THR 71 3HG2 THR 71 -1.077 -12.406 -6.842 526 H VAL 72 H VAL 72 -0.621 -7.641 -8.746 527 HA VAL 72 HA VAL 72 -1.747 -5.821 -6.723 528 HB VAL 72 HB VAL 72 -0.641 -4.978 -9.395 529 1HG1 VAL 72 1HG1 VAL 72 -0.797 -3.604 -6.695 530 2HG1 VAL 72 2HG1 VAL 72 -1.937 -3.359 -8.019 531 3HG1 VAL 72 3HG1 VAL 72 -0.251 -2.876 -8.206 532 1HG2 VAL 72 1HG2 VAL 72 0.889 -5.461 -6.818 533 2HG2 VAL 72 2HG2 VAL 72 1.529 -4.596 -8.216 534 3HG2 VAL 72 3HG2 VAL 72 1.124 -6.308 -8.348 535 H ASP 73 H ASP 73 -3.839 -5.417 -6.804 536 HA ASP 73 HA ASP 73 -5.389 -5.944 -9.216 537 1HB ASP 73 2HB ASP 73 -6.086 -5.113 -6.399 538 2HB ASP 73 1HB ASP 73 -7.281 -5.037 -7.695 539 H PHE 74 H PHE 74 -6.991 -4.165 -9.919 540 HA PHE 74 HA PHE 74 -5.529 -1.920 -10.751 541 1HB PHE 74 2HB PHE 74 -7.701 -2.811 -11.758 542 2HB PHE 74 1HB PHE 74 -8.534 -1.889 -10.506 543 HD1 PHE 74 HD1 PHE 74 -5.419 -1.138 -12.438 544 HD2 PHE 74 HD2 PHE 74 -9.474 -0.024 -11.576 545 HE1 PHE 74 HE1 PHE 74 -5.145 0.920 -13.793 546 HE2 PHE 74 HE2 PHE 74 -9.195 2.036 -12.927 547 HZ PHE 74 HZ PHE 74 -7.032 2.506 -14.037 548 H ASP 75 H ASP 75 -7.441 -2.449 -7.851 549 HA ASP 75 HA ASP 75 -7.607 0.288 -7.035 550 1HB ASP 75 2HB ASP 75 -7.675 -2.237 -5.350 551 2HB ASP 75 1HB ASP 75 -8.133 -0.626 -4.800 552 H GLU 76 H GLU 76 -5.406 -2.401 -6.260 553 HA GLU 76 HA GLU 76 -3.680 -0.908 -4.544 554 1HB GLU 76 2HB GLU 76 -3.040 -3.410 -6.131 555 2HB GLU 76 1HB GLU 76 -2.157 -2.801 -4.733 556 1HG GLU 76 2HG GLU 76 -3.987 -3.244 -3.261 557 2HG GLU 76 1HG GLU 76 -5.096 -3.510 -4.605 558 H PHE 77 H PHE 77 -3.789 -1.532 -8.000 559 HA PHE 77 HA PHE 77 -1.206 -0.707 -8.738 560 1HB PHE 77 2HB PHE 77 -3.269 -1.778 -10.084 561 2HB PHE 77 1HB PHE 77 -3.498 -0.099 -10.544 562 HD1 PHE 77 HD1 PHE 77 -3.079 -0.860 -12.869 563 HD2 PHE 77 HD2 PHE 77 -0.038 -1.114 -9.831 564 HE1 PHE 77 HE1 PHE 77 -1.345 -1.104 -14.610 565 HE2 PHE 77 HE2 PHE 77 1.688 -1.343 -11.591 566 HZ PHE 77 HZ PHE 77 1.030 -1.347 -13.979 567 H LEU 78 H LEU 78 -4.272 1.122 -8.780 568 HA LEU 78 HA LEU 78 -3.042 3.621 -9.418 569 1HB LEU 78 2HB LEU 78 -5.757 2.741 -8.563 570 2HB LEU 78 1HB LEU 78 -5.351 4.437 -8.390 571 HG LEU 78 HG LEU 78 -5.133 4.730 -10.731 572 1HD1 LEU 78 1HD1 LEU 78 -5.276 1.724 -11.061 573 2HD1 LEU 78 2HD1 LEU 78 -3.781 2.658 -11.105 574 3HD1 LEU 78 3HD1 LEU 78 -5.017 2.917 -12.336 575 1HD2 LEU 78 1HD2 LEU 78 -7.373 2.743 -10.250 576 2HD2 LEU 78 2HD2 LEU 78 -7.267 3.844 -11.624 577 3HD2 LEU 78 3HD2 LEU 78 -7.466 4.485 -9.993 578 H VAL 79 H VAL 79 -3.793 1.951 -6.419 579 HA VAL 79 HA VAL 79 -3.609 4.105 -4.610 580 HB VAL 79 HB VAL 79 -3.324 1.139 -4.426 581 1HG1 VAL 79 1HG1 VAL 79 -2.466 3.031 -2.216 582 2HG1 VAL 79 2HG1 VAL 79 -1.418 1.914 -3.091 583 3HG1 VAL 79 3HG1 VAL 79 -2.691 1.289 -2.042 584 1HG2 VAL 79 1HG2 VAL 79 -5.467 2.548 -4.213 585 2HG2 VAL 79 2HG2 VAL 79 -4.833 3.061 -2.649 586 3HG2 VAL 79 3HG2 VAL 79 -5.168 1.355 -2.949 587 H MET 80 H MET 80 -1.119 1.850 -5.804 588 HA MET 80 HA MET 80 1.108 2.717 -4.419 589 1HB MET 80 2HB MET 80 0.632 1.041 -6.598 590 2HB MET 80 1HB MET 80 1.747 2.257 -7.219 591 1HG MET 80 2HG MET 80 3.359 1.785 -5.522 592 2HG MET 80 1HG MET 80 2.202 0.836 -4.591 593 1HE MET 80 1HE MET 80 3.917 1.503 -7.657 594 2HE MET 80 2HE MET 80 3.446 0.216 -8.764 595 3HE MET 80 3HE MET 80 4.942 0.074 -7.843 596 H MET 81 H MET 81 -0.540 4.297 -7.093 597 HA MET 81 HA MET 81 1.541 6.159 -7.727 598 1HB MET 81 2HB MET 81 -0.457 5.443 -9.187 599 2HB MET 81 1HB MET 81 -1.393 6.606 -8.250 600 1HG MET 81 2HG MET 81 0.923 8.005 -8.924 601 2HG MET 81 1HG MET 81 0.551 7.080 -10.377 602 1HE MET 81 1HE MET 81 -2.201 6.505 -10.267 603 2HE MET 81 2HE MET 81 -1.960 7.404 -11.763 604 3HE MET 81 3HE MET 81 -3.290 7.833 -10.690 605 H VAL 82 H VAL 82 -1.419 6.357 -5.732 606 HA VAL 82 HA VAL 82 -0.949 9.116 -5.048 607 HB VAL 82 HB VAL 82 -2.822 8.861 -3.473 608 1HG1 VAL 82 1HG1 VAL 82 -4.536 8.398 -5.150 609 2HG1 VAL 82 2HG1 VAL 82 -3.356 7.565 -6.161 610 3HG1 VAL 82 3HG1 VAL 82 -3.215 9.302 -5.889 611 1HG2 VAL 82 1HG2 VAL 82 -2.927 5.980 -4.406 612 2HG2 VAL 82 2HG2 VAL 82 -3.966 6.751 -3.208 613 3HG2 VAL 82 3HG2 VAL 82 -2.261 6.479 -2.852 614 H ARG 83 H ARG 83 -0.244 6.008 -3.510 615 HA ARG 83 HA ARG 83 0.485 7.166 -0.988 616 1HB ARG 83 2HB ARG 83 1.505 4.963 -0.482 617 2HB ARG 83 1HB ARG 83 -0.160 4.829 -1.039 618 1HG ARG 83 2HG ARG 83 0.484 3.500 -2.729 619 2HG ARG 83 1HG ARG 83 1.581 4.745 -3.316 620 1HD ARG 83 2HD ARG 83 2.636 3.453 -0.935 621 2HD ARG 83 1HD ARG 83 2.296 2.276 -2.198 622 HE ARG 83 HE ARG 83 3.657 4.360 -3.437 623 1HH1 ARG 83 2HH1 ARG 83 4.232 2.071 -0.865 624 2HH1 ARG 83 1HH1 ARG 83 5.943 2.024 -1.118 625 1HH2 ARG 83 1HH2 ARG 83 5.903 4.286 -3.748 626 2HH2 ARG 83 2HH2 ARG 83 6.887 3.274 -2.745 627 H CYS 84 H CYS 84 2.250 6.374 -3.954 628 HA CYS 84 HA CYS 84 4.854 6.796 -2.852 629 1HB CYS 84 2HB CYS 84 5.689 6.628 -5.039 630 2HB CYS 84 1HB CYS 84 4.245 5.621 -5.081 631 HG CYS 84 HG CYS 84 2.985 7.677 -6.217 632 H MET 85 H MET 85 2.351 8.893 -4.109 633 HA MET 85 HA MET 85 4.087 11.222 -4.279 634 1HB MET 85 2HB MET 85 1.956 10.721 -5.704 635 2HB MET 85 1HB MET 85 1.081 11.336 -4.302 636 1HG MET 85 2HG MET 85 1.714 13.479 -4.703 637 2HG MET 85 1HG MET 85 3.367 13.009 -5.096 638 1HE MET 85 1HE MET 85 -0.076 11.737 -6.773 639 2HE MET 85 2HE MET 85 -0.298 13.128 -7.831 640 3HE MET 85 3HE MET 85 -0.210 13.361 -6.087 641 H LYS 86 H LYS 86 1.297 10.179 -2.300 642 HA LYS 86 HA LYS 86 2.332 11.866 -0.095 643 1HB LYS 86 2HB LYS 86 0.212 12.748 -1.251 644 2HB LYS 86 1HB LYS 86 -0.603 11.362 -0.529 645 1HG LYS 86 2HG LYS 86 1.083 12.787 1.391 646 2HG LYS 86 1HG LYS 86 -0.177 13.815 0.709 647 1HD LYS 86 2HD LYS 86 -1.907 12.303 1.395 648 2HD LYS 86 1HD LYS 86 -0.736 11.051 1.812 649 1HE LYS 86 2HE LYS 86 0.032 12.245 3.711 650 2HE LYS 86 1HE LYS 86 -0.708 13.750 3.167 651 1HZ LYS 86 1HZ LYS 86 -2.878 12.813 3.528 652 2HZ LYS 86 2HZ LYS 86 -1.965 12.661 4.953 653 3HZ LYS 86 3HZ LYS 86 -2.212 11.311 3.950 654 H ASP 87 H ASP 87 2.853 10.692 1.586 655 HA ASP 87 HA ASP 87 1.217 8.721 2.791 656 1HB ASP 87 2HB ASP 87 1.910 7.351 0.848 657 2HB ASP 87 1HB ASP 87 3.600 7.628 1.261 658 H ASP 88 H ASP 88 4.529 9.823 2.210 659 HA ASP 88 HA ASP 88 5.212 9.354 5.039 660 1HB ASP 88 2HB ASP 88 6.678 8.853 2.790 661 2HB ASP 88 1HB ASP 88 7.284 10.447 3.242 662 H SER 89 HN SER 89 5.490 11.907 2.553 663 HA SER 89 HA SER 89 5.387 13.917 4.727 664 1HB SER 89 2HB SER 89 7.521 13.682 3.217 665 2HB SER 89 1HB SER 89 6.540 14.534 2.027 666 HG SER 89 HG SER 89 7.672 15.419 4.374 Start of MODEL 22 1 1H MET 1 1H MET 1 -7.520 6.187 11.918 2 2H MET 1 2H MET 1 -6.566 7.487 11.381 3 3H MET 1 3H MET 1 -6.427 5.963 10.642 4 HA MET 1 HA MET 1 -8.705 6.127 9.831 5 1HB MET 1 2HB MET 1 -8.973 8.009 11.828 6 2HB MET 1 1HB MET 1 -8.878 9.018 10.386 7 1HG MET 1 2HG MET 1 -10.855 8.227 9.533 8 2HG MET 1 1HG MET 1 -10.622 6.615 10.208 9 1HE MET 1 1HE MET 1 -13.277 6.908 10.538 10 2HE MET 1 2HE MET 1 -13.658 6.916 12.258 11 3HE MET 1 3HE MET 1 -12.404 5.839 11.646 12 H ASN 2 H ASN 2 -7.224 5.776 8.099 13 HA ASN 2 HA ASN 2 -6.096 8.186 6.827 14 1HB ASN 2 2HB ASN 2 -5.445 5.277 6.744 15 2HB ASN 2 1HB ASN 2 -5.139 6.223 5.288 16 1HD2 ASN 2 1HD2 ASN 2 -4.806 7.088 8.790 17 2HD2 ASN 2 2HD2 ASN 2 -3.179 7.551 8.658 18 H ASP 3 H ASP 3 -8.062 9.003 6.044 19 HA ASP 3 HA ASP 3 -9.506 7.398 4.046 20 1HB ASP 3 2HB ASP 3 -10.203 10.148 5.099 21 2HB ASP 3 1HB ASP 3 -11.238 9.076 4.155 22 H ILE 4 H ILE 4 -7.340 10.108 4.318 23 HA ILE 4 HA ILE 4 -7.783 11.513 1.977 24 HB ILE 4 HB ILE 4 -5.494 12.262 2.061 25 1HG1 ILE 4 2HG1 ILE 4 -4.499 9.954 2.402 26 2HG1 ILE 4 1HG1 ILE 4 -3.774 11.221 3.380 27 1HG2 ILE 4 1HG2 ILE 4 -6.233 13.485 3.789 28 2HG2 ILE 4 2HG2 ILE 4 -5.496 12.290 4.855 29 3HG2 ILE 4 3HG2 ILE 4 -7.196 12.145 4.413 30 1HD1 ILE 4 1HD1 ILE 4 -5.658 9.034 4.247 31 2HD1 ILE 4 2HD1 ILE 4 -5.464 10.498 5.211 32 3HD1 ILE 4 3HD1 ILE 4 -4.078 9.452 4.906 33 H TYR 5 H TYR 5 -6.216 8.390 2.363 34 HA TYR 5 HA TYR 5 -5.002 8.241 -0.200 35 1HB TYR 5 2HB TYR 5 -5.878 6.130 1.771 36 2HB TYR 5 1HB TYR 5 -5.153 5.715 0.219 37 HD1 TYR 5 HD1 TYR 5 -4.600 7.518 3.412 38 HD2 TYR 5 HD2 TYR 5 -2.804 6.014 -0.188 39 HE1 TYR 5 HE1 TYR 5 -2.354 7.968 4.347 40 HE2 TYR 5 HE2 TYR 5 -0.552 6.460 0.749 41 HH TYR 5 HH TYR 5 0.231 6.712 3.611 42 H LYS 6 H LYS 6 -8.080 6.852 1.004 43 HA LYS 6 HA LYS 6 -8.909 5.926 -1.563 44 1HB LYS 6 2HB LYS 6 -11.016 5.420 -0.537 45 2HB LYS 6 1HB LYS 6 -9.747 5.038 0.623 46 1HG LYS 6 2HG LYS 6 -10.193 6.969 1.922 47 2HG LYS 6 1HG LYS 6 -11.139 7.718 0.638 48 1HD LYS 6 2HD LYS 6 -13.018 6.750 1.400 49 2HD LYS 6 1HD LYS 6 -12.278 5.153 1.280 50 1HE LYS 6 2HE LYS 6 -11.425 6.867 3.564 51 2HE LYS 6 1HE LYS 6 -13.054 6.196 3.634 52 1HZ LYS 6 1HZ LYS 6 -11.448 4.710 4.650 53 2HZ LYS 6 2HZ LYS 6 -10.557 4.643 3.206 54 3HZ LYS 6 3HZ LYS 6 -12.127 3.995 3.271 55 H ALA 7 H ALA 7 -9.229 8.982 0.112 56 HA ALA 7 HA ALA 7 -11.365 10.052 -1.438 57 1HB ALA 7 1HB ALA 7 -10.463 10.930 0.794 58 2HB ALA 7 2HB ALA 7 -10.858 12.136 -0.432 59 3HB ALA 7 3HB ALA 7 -9.177 11.682 -0.150 60 H ALA 8 H ALA 8 -7.924 9.722 -1.975 61 HA ALA 8 HA ALA 8 -7.808 11.670 -4.114 62 1HB ALA 8 1HB ALA 8 -5.524 10.854 -4.453 63 2HB ALA 8 2HB ALA 8 -5.826 9.511 -3.351 64 3HB ALA 8 3HB ALA 8 -5.816 11.166 -2.742 65 H VAL 9 H VAL 9 -7.848 8.115 -3.882 66 HA VAL 9 HA VAL 9 -7.724 7.663 -6.695 67 HB VAL 9 HB VAL 9 -7.171 5.959 -4.922 68 1HG1 VAL 9 1HG1 VAL 9 -10.195 5.782 -4.733 69 2HG1 VAL 9 2HG1 VAL 9 -9.104 6.313 -3.454 70 3HG1 VAL 9 3HG1 VAL 9 -9.063 4.640 -4.008 71 1HG2 VAL 9 1HG2 VAL 9 -7.672 5.463 -7.374 72 2HG2 VAL 9 2HG2 VAL 9 -9.292 4.997 -6.856 73 3HG2 VAL 9 3HG2 VAL 9 -7.889 4.110 -6.264 74 H GLU 10 H GLU 10 -10.279 8.605 -4.560 75 HA GLU 10 HA GLU 10 -12.434 7.724 -6.284 76 1HB GLU 10 2HB GLU 10 -12.243 9.235 -3.707 77 2HB GLU 10 1HB GLU 10 -13.722 9.358 -4.660 78 1HG GLU 10 2HG GLU 10 -12.484 6.682 -3.992 79 2HG GLU 10 1HG GLU 10 -13.620 7.477 -2.902 80 H GLN 11 H GLN 11 -10.389 10.530 -6.025 81 HA GLN 11 HA GLN 11 -12.122 11.913 -7.987 82 1HB GLN 11 2HB GLN 11 -11.515 14.056 -7.028 83 2HB GLN 11 1HB GLN 11 -12.195 13.027 -5.768 84 1HG GLN 11 2HG GLN 11 -9.701 12.351 -5.333 85 2HG GLN 11 1HG GLN 11 -9.329 13.838 -6.199 86 1HE2 GLN 11 1HE2 GLN 11 -8.437 14.403 -3.913 87 2HE2 GLN 11 2HE2 GLN 11 -9.530 15.104 -2.820 88 H LEU 12 H LEU 12 -9.726 10.130 -8.361 89 HA LEU 12 HA LEU 12 -7.554 11.832 -9.196 90 1HB LEU 12 2HB LEU 12 -6.931 9.643 -10.512 91 2HB LEU 12 1HB LEU 12 -6.709 9.753 -8.782 92 HG LEU 12 HG LEU 12 -8.688 8.426 -8.391 93 1HD1 LEU 12 1HD1 LEU 12 -9.797 7.425 -10.535 94 2HD1 LEU 12 2HD1 LEU 12 -9.109 8.834 -11.343 95 3HD1 LEU 12 3HD1 LEU 12 -10.256 9.048 -10.021 96 1HD2 LEU 12 1HD2 LEU 12 -6.983 7.260 -10.611 97 2HD2 LEU 12 2HD2 LEU 12 -8.010 6.325 -9.525 98 3HD2 LEU 12 3HD2 LEU 12 -6.620 7.200 -8.886 99 H THR 13 H THR 13 -6.742 11.481 -11.606 100 HA THR 13 HA THR 13 -8.932 12.452 -13.290 101 HB THR 13 HB THR 13 -6.788 12.527 -14.935 102 HG1 THR 13 HG1 THR 13 -5.121 12.042 -13.779 103 1HG2 THR 13 1HG2 THR 13 -7.954 14.411 -12.952 104 2HG2 THR 13 2HG2 THR 13 -7.838 14.543 -14.707 105 3HG2 THR 13 3HG2 THR 13 -6.428 14.877 -13.703 106 H ASP 14 H ASP 14 -9.056 11.705 -15.532 107 HA ASP 14 HA ASP 14 -9.356 8.860 -15.668 108 1HB ASP 14 2HB ASP 14 -9.627 11.099 -17.664 109 2HB ASP 14 1HB ASP 14 -9.735 9.413 -18.169 110 H GLU 15 H GLU 15 -6.926 11.184 -16.671 111 HA GLU 15 HA GLU 15 -5.444 9.452 -18.399 112 1HB GLU 15 2HB GLU 15 -4.683 11.969 -16.903 113 2HB GLU 15 1HB GLU 15 -3.585 11.122 -17.993 114 1HG GLU 15 2HG GLU 15 -4.648 11.888 -19.842 115 2HG GLU 15 1HG GLU 15 -6.244 11.592 -19.154 116 H GLN 16 H GLN 16 -5.314 10.221 -14.949 117 HA GLN 16 HA GLN 16 -2.909 8.934 -14.270 118 1HB GLN 16 2HB GLN 16 -4.509 10.424 -12.827 119 2HB GLN 16 1HB GLN 16 -5.286 8.894 -12.431 120 1HG GLN 16 2HG GLN 16 -2.467 8.505 -12.210 121 2HG GLN 16 1HG GLN 16 -2.871 9.993 -11.353 122 1HE2 GLN 16 1HE2 GLN 16 -4.392 6.724 -11.728 123 2HE2 GLN 16 2HE2 GLN 16 -4.726 6.543 -10.075 124 H LYS 17 H LYS 17 -6.239 7.731 -14.449 125 HA LYS 17 HA LYS 17 -5.652 5.079 -13.572 126 1HB LYS 17 2HB LYS 17 -7.973 6.064 -15.256 127 2HB LYS 17 1HB LYS 17 -7.884 4.513 -14.422 128 1HG LYS 17 2HG LYS 17 -8.089 5.484 -12.309 129 2HG LYS 17 1HG LYS 17 -7.485 7.047 -12.858 130 1HD LYS 17 2HD LYS 17 -9.725 7.563 -12.754 131 2HD LYS 17 1HD LYS 17 -9.680 6.912 -14.392 132 1HE LYS 17 2HE LYS 17 -10.127 4.616 -13.237 133 2HE LYS 17 1HE LYS 17 -10.652 5.592 -11.866 134 1HZ LYS 17 1HZ LYS 17 -11.705 5.806 -14.636 135 2HZ LYS 17 2HZ LYS 17 -12.226 6.718 -13.300 136 3HZ LYS 17 3HZ LYS 17 -12.492 5.041 -13.343 137 H ASN 18 H ASN 18 -5.796 6.668 -16.732 138 HA ASN 18 HA ASN 18 -5.630 4.324 -18.327 139 1HB ASN 18 2HB ASN 18 -4.959 7.216 -18.849 140 2HB ASN 18 1HB ASN 18 -4.690 5.971 -20.067 141 1HD2 ASN 18 1HD2 ASN 18 -6.766 8.264 -19.849 142 2HD2 ASN 18 2HD2 ASN 18 -8.249 7.484 -20.121 143 H GLU 19 H GLU 19 -3.168 6.285 -16.732 144 HA GLU 19 HA GLU 19 -0.882 5.413 -18.122 145 1HB GLU 19 2HB GLU 19 -0.900 5.881 -15.137 146 2HB GLU 19 1HB GLU 19 0.422 6.141 -16.273 147 1HG GLU 19 2HG GLU 19 -1.491 7.759 -17.344 148 2HG GLU 19 1HG GLU 19 -1.883 7.868 -15.626 149 H PHE 20 H PHE 20 -2.439 4.077 -15.224 150 HA PHE 20 HA PHE 20 -0.665 1.775 -15.191 151 1HB PHE 20 2HB PHE 20 -2.920 2.734 -13.451 152 2HB PHE 20 1HB PHE 20 -2.273 1.104 -13.279 153 HD1 PHE 20 HD1 PHE 20 -1.531 4.710 -12.947 154 HD2 PHE 20 HD2 PHE 20 0.003 0.722 -12.492 155 HE1 PHE 20 HE1 PHE 20 0.369 5.585 -11.632 156 HE2 PHE 20 HE2 PHE 20 1.894 1.595 -11.162 157 HZ PHE 20 HZ PHE 20 2.084 4.032 -10.735 158 H LYS 21 H LYS 21 -4.094 2.432 -15.897 159 HA LYS 21 HA LYS 21 -5.002 -0.195 -16.174 160 1HB LYS 21 2HB LYS 21 -6.471 1.800 -16.184 161 2HB LYS 21 1HB LYS 21 -5.896 2.194 -17.803 162 1HG LYS 21 2HG LYS 21 -6.834 -0.587 -17.493 163 2HG LYS 21 1HG LYS 21 -8.090 0.630 -17.264 164 1HD LYS 21 2HD LYS 21 -7.053 1.684 -19.449 165 2HD LYS 21 1HD LYS 21 -6.442 0.049 -19.703 166 1HE LYS 21 2HE LYS 21 -8.471 -0.310 -20.672 167 2HE LYS 21 1HE LYS 21 -9.034 -0.471 -19.009 168 1HZ LYS 21 1HZ LYS 21 -9.045 2.019 -20.629 169 2HZ LYS 21 2HZ LYS 21 -9.532 1.909 -19.005 170 3HZ LYS 21 3HZ LYS 21 -10.402 1.090 -20.214 171 H ALA 22 H ALA 22 -3.209 1.818 -18.468 172 HA ALA 22 HA ALA 22 -3.560 0.228 -20.776 173 1HB ALA 22 1HB ALA 22 -2.584 2.460 -20.922 174 2HB ALA 22 2HB ALA 22 -1.450 1.276 -21.570 175 3HB ALA 22 3HB ALA 22 -1.201 1.941 -19.956 176 H ALA 23 H ALA 23 -0.896 0.270 -18.406 177 HA ALA 23 HA ALA 23 0.434 -2.027 -19.448 178 1HB ALA 23 1HB ALA 23 1.564 -0.332 -18.027 179 2HB ALA 23 2HB ALA 23 1.743 -1.964 -17.385 180 3HB ALA 23 3HB ALA 23 0.583 -0.853 -16.657 181 H PHE 24 H PHE 24 -2.039 -1.493 -17.014 182 HA PHE 24 HA PHE 24 -2.019 -4.048 -15.800 183 1HB PHE 24 2HB PHE 24 -3.206 -1.887 -15.033 184 2HB PHE 24 1HB PHE 24 -4.495 -2.357 -16.137 185 HD1 PHE 24 HD1 PHE 24 -5.601 -4.625 -15.842 186 HD2 PHE 24 HD2 PHE 24 -2.953 -2.930 -12.919 187 HE1 PHE 24 HE1 PHE 24 -6.482 -6.190 -14.134 188 HE2 PHE 24 HE2 PHE 24 -3.835 -4.490 -11.214 189 HZ PHE 24 HZ PHE 24 -5.603 -6.117 -11.819 190 H ASP 25 H ASP 25 -3.896 -2.729 -18.528 191 HA ASP 25 HA ASP 25 -5.488 -5.041 -18.954 192 1HB ASP 25 2HB ASP 25 -4.911 -2.544 -20.444 193 2HB ASP 25 1HB ASP 25 -5.504 -3.906 -21.395 194 H ILE 26 H ILE 26 -2.321 -4.101 -20.235 195 HA ILE 26 HA ILE 26 -2.267 -6.201 -22.204 196 HB ILE 26 HB ILE 26 0.146 -5.620 -22.441 197 1HG1 ILE 26 2HG1 ILE 26 -0.473 -3.525 -20.333 198 2HG1 ILE 26 1HG1 ILE 26 0.482 -4.976 -20.035 199 1HG2 ILE 26 1HG2 ILE 26 -1.645 -3.178 -22.368 200 2HG2 ILE 26 2HG2 ILE 26 -1.748 -4.420 -23.615 201 3HG2 ILE 26 3HG2 ILE 26 -0.274 -3.469 -23.439 202 1HD1 ILE 26 1HD1 ILE 26 2.139 -4.279 -21.670 203 2HD1 ILE 26 2HD1 ILE 26 1.883 -2.965 -20.520 204 3HD1 ILE 26 3HD1 ILE 26 1.154 -2.887 -22.125 205 H PHE 27 H PHE 27 -1.036 -5.852 -18.896 206 HA PHE 27 HA PHE 27 0.418 -8.340 -18.968 207 1HB PHE 27 2HB PHE 27 -0.402 -6.604 -16.628 208 2HB PHE 27 1HB PHE 27 0.648 -8.017 -16.510 209 HD1 PHE 27 HD1 PHE 27 2.181 -7.726 -19.087 210 HD2 PHE 27 HD2 PHE 27 1.098 -4.824 -16.106 211 HE1 PHE 27 HE1 PHE 27 4.111 -6.323 -19.751 212 HE2 PHE 27 HE2 PHE 27 3.029 -3.422 -16.781 213 HZ PHE 27 HZ PHE 27 4.533 -4.172 -18.599 214 H ILE 28 H ILE 28 -2.818 -7.352 -17.905 215 HA ILE 28 HA ILE 28 -3.347 -10.095 -16.971 216 HB ILE 28 HB ILE 28 -5.350 -9.278 -15.963 217 1HG1 ILE 28 2HG1 ILE 28 -5.599 -6.583 -16.385 218 2HG1 ILE 28 1HG1 ILE 28 -5.041 -7.127 -17.968 219 1HG2 ILE 28 1HG2 ILE 28 -3.259 -8.693 -14.781 220 2HG2 ILE 28 2HG2 ILE 28 -4.518 -7.488 -14.509 221 3HG2 ILE 28 3HG2 ILE 28 -3.209 -7.156 -15.644 222 1HD1 ILE 28 1HD1 ILE 28 -6.907 -8.458 -18.323 223 2HD1 ILE 28 2HD1 ILE 28 -7.623 -7.152 -17.378 224 3HD1 ILE 28 3HD1 ILE 28 -7.207 -8.679 -16.599 225 H GLN 29 H GLN 29 -3.308 -8.703 -19.894 226 HA GLN 29 HA GLN 29 -5.715 -8.913 -21.173 227 1HB GLN 29 2HB GLN 29 -3.622 -8.256 -22.294 228 2HB GLN 29 1HB GLN 29 -3.057 -9.924 -22.216 229 1HG GLN 29 2HG GLN 29 -4.851 -10.672 -23.650 230 2HG GLN 29 1HG GLN 29 -5.618 -9.085 -23.601 231 1HE2 GLN 29 1HE2 GLN 29 -4.157 -7.225 -24.476 232 2HE2 GLN 29 2HE2 GLN 29 -3.173 -7.594 -25.808 233 H ASP 30 H ASP 30 -3.503 -11.586 -20.416 234 HA ASP 30 HA ASP 30 -5.644 -13.503 -21.129 235 1HB ASP 30 2HB ASP 30 -3.110 -13.444 -22.127 236 2HB ASP 30 1HB ASP 30 -2.895 -14.529 -20.755 237 H ALA 31 H ALA 31 -5.642 -12.143 -18.633 238 HA ALA 31 HA ALA 31 -4.705 -14.147 -16.691 239 1HB ALA 31 1HB ALA 31 -5.851 -11.383 -16.218 240 2HB ALA 31 2HB ALA 31 -4.133 -11.781 -16.251 241 3HB ALA 31 3HB ALA 31 -5.167 -12.450 -14.991 242 H GLU 32 H GLU 32 -6.118 -14.872 -15.016 243 HA GLU 32 HA GLU 32 -8.986 -14.854 -15.766 244 1HB GLU 32 2HB GLU 32 -9.091 -17.155 -14.753 245 2HB GLU 32 1HB GLU 32 -8.125 -17.060 -16.224 246 1HG GLU 32 2HG GLU 32 -6.107 -17.296 -15.080 247 2HG GLU 32 1HG GLU 32 -6.775 -16.683 -13.569 248 H ASP 33 H ASP 33 -7.753 -12.971 -14.006 249 HA ASP 33 HA ASP 33 -9.317 -13.496 -11.593 250 1HB ASP 33 2HB ASP 33 -6.334 -13.071 -11.586 251 2HB ASP 33 1HB ASP 33 -7.331 -12.697 -10.182 252 H GLY 34 H GLY 34 -7.086 -11.231 -13.206 253 1HA GLY 34 2HA GLY 34 -7.827 -9.028 -13.873 254 2HA GLY 34 1HA GLY 34 -8.921 -9.022 -12.492 255 H CYS 35 H CYS 35 -5.487 -9.892 -12.729 256 HA CYS 35 HA CYS 35 -4.611 -7.520 -11.309 257 1HB CYS 35 2HB CYS 35 -3.594 -8.840 -9.434 258 2HB CYS 35 1HB CYS 35 -5.355 -8.787 -9.396 259 HG CYS 35 HG CYS 35 -5.424 -11.225 -10.302 260 H ILE 36 H ILE 36 -2.353 -7.251 -11.349 261 HA ILE 36 HA ILE 36 -1.011 -8.890 -13.376 262 HB ILE 36 HB ILE 36 0.641 -7.177 -13.520 263 1HG1 ILE 36 2HG1 ILE 36 0.025 -5.175 -11.700 264 2HG1 ILE 36 1HG1 ILE 36 -0.184 -6.646 -10.750 265 1HG2 ILE 36 1HG2 ILE 36 -1.583 -6.614 -14.490 266 2HG2 ILE 36 2HG2 ILE 36 -0.684 -5.185 -13.983 267 3HG2 ILE 36 3HG2 ILE 36 -2.004 -5.795 -12.986 268 1HD1 ILE 36 1HD1 ILE 36 2.246 -5.392 -11.339 269 2HD1 ILE 36 2HD1 ILE 36 2.204 -6.785 -12.417 270 3HD1 ILE 36 3HD1 ILE 36 2.044 -7.014 -10.674 271 H SER 37 H SER 37 1.435 -9.254 -12.896 272 HA SER 37 HA SER 37 1.549 -10.743 -10.376 273 1HB SER 37 2HB SER 37 2.422 -11.385 -12.883 274 2HB SER 37 1HB SER 37 3.904 -10.776 -12.155 275 HG SER 37 HG SER 37 2.353 -12.998 -11.508 276 H THR 38 H THR 38 2.291 -9.737 -8.626 277 HA THR 38 HA THR 38 3.619 -7.275 -8.531 278 HB THR 38 HB THR 38 4.246 -7.864 -6.210 279 HG1 THR 38 HG1 THR 38 4.570 -9.886 -5.834 280 1HG2 THR 38 1HG2 THR 38 1.490 -8.410 -7.248 281 2HG2 THR 38 2HG2 THR 38 2.066 -7.061 -6.271 282 3HG2 THR 38 3HG2 THR 38 1.830 -8.644 -5.534 283 H LYS 39 H LYS 39 4.889 -10.565 -8.680 284 HA LYS 39 HA LYS 39 7.627 -9.947 -8.284 285 1HB LYS 39 2HB LYS 39 8.069 -12.141 -9.375 286 2HB LYS 39 1HB LYS 39 6.856 -12.247 -8.102 287 1HG LYS 39 2HG LYS 39 5.329 -11.684 -10.342 288 2HG LYS 39 1HG LYS 39 6.586 -12.740 -10.985 289 1HD LYS 39 2HD LYS 39 4.923 -14.247 -10.265 290 2HD LYS 39 1HD LYS 39 6.077 -14.245 -8.932 291 1HE LYS 39 2HE LYS 39 4.691 -12.947 -7.559 292 2HE LYS 39 1HE LYS 39 3.778 -12.304 -8.924 293 1HZ LYS 39 1HZ LYS 39 2.839 -14.508 -9.280 294 2HZ LYS 39 2HZ LYS 39 2.490 -13.941 -7.718 295 3HZ LYS 39 3HZ LYS 39 3.701 -15.109 -7.948 296 H GLU 40 H GLU 40 5.525 -9.772 -11.088 297 HA GLU 40 HA GLU 40 7.793 -9.176 -12.860 298 1HB GLU 40 2HB GLU 40 4.862 -9.672 -13.436 299 2HB GLU 40 1HB GLU 40 6.049 -9.232 -14.663 300 1HG GLU 40 2HG GLU 40 7.359 -11.233 -14.172 301 2HG GLU 40 1HG GLU 40 6.265 -11.657 -12.855 302 H LEU 41 H LEU 41 6.611 -7.333 -10.697 303 HA LEU 41 HA LEU 41 5.202 -5.198 -11.816 304 1HB LEU 41 2HB LEU 41 6.427 -5.724 -9.367 305 2HB LEU 41 1HB LEU 41 7.239 -4.296 -9.956 306 HG LEU 41 HG LEU 41 5.390 -3.657 -8.530 307 1HD1 LEU 41 1HD1 LEU 41 5.801 -2.156 -10.382 308 2HD1 LEU 41 2HD1 LEU 41 4.053 -2.296 -10.173 309 3HD1 LEU 41 3HD1 LEU 41 4.861 -3.175 -11.472 310 1HD2 LEU 41 1HD2 LEU 41 3.930 -5.629 -10.234 311 2HD2 LEU 41 2HD2 LEU 41 3.028 -4.221 -9.670 312 3HD2 LEU 41 3HD2 LEU 41 3.782 -5.312 -8.506 313 H GLY 42 H GLY 42 8.609 -6.038 -12.052 314 1HA GLY 42 2HA GLY 42 9.748 -3.634 -12.853 315 2HA GLY 42 1HA GLY 42 10.294 -5.217 -13.386 316 H LYS 43 H LYS 43 7.866 -5.961 -14.741 317 HA LYS 43 HA LYS 43 8.362 -4.826 -17.297 318 1HB LYS 43 2HB LYS 43 6.044 -6.499 -16.299 319 2HB LYS 43 1HB LYS 43 6.310 -6.077 -17.990 320 1HG LYS 43 2HG LYS 43 8.447 -7.433 -16.339 321 2HG LYS 43 1HG LYS 43 7.218 -8.355 -17.204 322 1HD LYS 43 2HD LYS 43 8.147 -7.929 -19.236 323 2HD LYS 43 1HD LYS 43 8.520 -6.256 -18.819 324 1HE LYS 43 2HE LYS 43 10.359 -7.242 -17.295 325 2HE LYS 43 1HE LYS 43 10.117 -8.739 -18.194 326 1HZ LYS 43 1HZ LYS 43 10.805 -6.100 -19.373 327 2HZ LYS 43 2HZ LYS 43 10.560 -7.538 -20.244 328 3HZ LYS 43 3HZ LYS 43 11.871 -7.403 -19.172 329 H VAL 44 H VAL 44 6.128 -3.987 -14.723 330 HA VAL 44 HA VAL 44 4.638 -2.203 -16.504 331 HB VAL 44 HB VAL 44 2.890 -2.370 -15.100 332 1HG1 VAL 44 1HG1 VAL 44 3.980 -4.726 -15.115 333 2HG1 VAL 44 2HG1 VAL 44 2.722 -4.395 -13.926 334 3HG1 VAL 44 3HG1 VAL 44 4.418 -4.368 -13.446 335 1HG2 VAL 44 1HG2 VAL 44 4.897 -1.861 -12.905 336 2HG2 VAL 44 2HG2 VAL 44 3.236 -2.309 -12.532 337 3HG2 VAL 44 3HG2 VAL 44 3.566 -0.835 -13.442 338 H MET 45 H MET 45 6.799 -2.009 -13.684 339 HA MET 45 HA MET 45 6.573 0.833 -13.443 340 1HB MET 45 2HB MET 45 8.442 0.700 -11.887 341 2HB MET 45 1HB MET 45 7.278 -0.576 -11.542 342 1HG MET 45 2HG MET 45 8.779 -2.034 -13.105 343 2HG MET 45 1HG MET 45 10.001 -0.798 -12.805 344 1HE MET 45 1HE MET 45 11.466 -2.188 -12.122 345 2HE MET 45 2HE MET 45 11.102 -3.699 -11.294 346 3HE MET 45 3HE MET 45 11.804 -2.357 -10.394 347 H ARG 46 H ARG 46 8.912 -1.315 -15.055 348 HA ARG 46 HA ARG 46 10.697 0.768 -15.843 349 1HB ARG 46 2HB ARG 46 10.256 -1.955 -17.091 350 2HB ARG 46 1HB ARG 46 11.605 -0.875 -17.444 351 1HG ARG 46 2HG ARG 46 11.220 -1.338 -14.568 352 2HG ARG 46 1HG ARG 46 11.595 -2.807 -15.467 353 1HD ARG 46 2HD ARG 46 13.412 -1.181 -16.583 354 2HD ARG 46 1HD ARG 46 13.254 -0.372 -15.028 355 HE ARG 46 HE ARG 46 14.325 -2.177 -14.028 356 1HH1 ARG 46 2HH1 ARG 46 13.306 -3.027 -17.262 357 2HH1 ARG 46 1HH1 ARG 46 14.150 -4.536 -17.265 358 1HH2 ARG 46 1HH2 ARG 46 15.423 -4.164 -14.058 359 2HH2 ARG 46 2HH2 ARG 46 15.345 -5.179 -15.458 360 H MET 47 H MET 47 7.756 -0.565 -17.229 361 HA MET 47 HA MET 47 8.053 0.773 -19.776 362 1HB MET 47 2HB MET 47 5.774 -0.693 -18.442 363 2HB MET 47 1HB MET 47 5.564 0.160 -19.971 364 1HG MET 47 2HG MET 47 7.692 -1.946 -19.503 365 2HG MET 47 1HG MET 47 6.123 -2.284 -20.232 366 1HE MET 47 1HE MET 47 9.626 -1.130 -20.576 367 2HE MET 47 2HE MET 47 9.807 -1.243 -22.324 368 3HE MET 47 3HE MET 47 9.223 -2.634 -21.414 369 H LEU 48 H LEU 48 6.558 1.449 -16.665 370 HA LEU 48 HA LEU 48 4.990 3.693 -17.514 371 1HB LEU 48 2HB LEU 48 5.766 2.449 -14.944 372 2HB LEU 48 1HB LEU 48 5.395 4.156 -14.882 373 HG LEU 48 HG LEU 48 3.145 3.810 -15.474 374 1HD1 LEU 48 1HD1 LEU 48 2.760 1.101 -16.021 375 2HD1 LEU 48 2HD1 LEU 48 4.235 1.505 -16.899 376 3HD1 LEU 48 3HD1 LEU 48 2.753 2.409 -17.204 377 1HD2 LEU 48 1HD2 LEU 48 3.172 3.074 -13.281 378 2HD2 LEU 48 2HD2 LEU 48 4.284 1.750 -13.629 379 3HD2 LEU 48 3HD2 LEU 48 2.580 1.610 -14.068 380 H GLY 49 H GLY 49 8.286 3.221 -16.444 381 1HA GLY 49 2HA GLY 49 9.867 4.940 -17.359 382 2HA GLY 49 1HA GLY 49 8.782 6.138 -16.668 383 H GLN 50 H GLN 50 9.557 3.121 -15.021 384 HA GLN 50 HA GLN 50 11.296 4.594 -13.131 385 1HB GLN 50 2HB GLN 50 9.288 2.495 -12.292 386 2HB GLN 50 1HB GLN 50 10.261 3.529 -11.248 387 1HG GLN 50 2HG GLN 50 8.183 4.569 -13.192 388 2HG GLN 50 1HG GLN 50 7.868 4.277 -11.485 389 1HE2 GLN 50 1HE2 GLN 50 8.214 6.843 -13.313 390 2HE2 GLN 50 2HE2 GLN 50 9.214 7.830 -12.364 391 H ASN 51 H ASN 51 13.154 3.588 -12.654 392 HA ASN 51 HA ASN 51 13.412 0.718 -13.365 393 1HB ASN 51 2HB ASN 51 15.404 2.956 -13.811 394 2HB ASN 51 1HB ASN 51 15.802 1.244 -13.960 395 1HD2 ASN 51 1HD2 ASN 51 15.571 0.431 -16.049 396 2HD2 ASN 51 2HD2 ASN 51 14.543 1.076 -17.235 397 HA PRO 52 HA PRO 52 14.823 1.446 -8.982 398 1HB PRO 52 2HB PRO 52 12.907 -0.048 -7.732 399 2HB PRO 52 1HB PRO 52 12.713 1.668 -8.115 400 1HG PRO 52 2HG PRO 52 11.477 -0.692 -9.386 401 2HG PRO 52 1HG PRO 52 10.897 0.977 -9.307 402 1HD PRO 52 2HD PRO 52 12.165 -0.283 -11.527 403 2HD PRO 52 1HD PRO 52 11.771 1.443 -11.360 404 H THR 53 H THR 53 14.582 -0.680 -7.198 405 HA THR 53 HA THR 53 16.121 -2.823 -8.541 406 HB THR 53 HB THR 53 17.307 -3.149 -6.543 407 HG1 THR 53 HG1 THR 53 16.439 -2.912 -4.622 408 1HG2 THR 53 1HG2 THR 53 16.574 -0.215 -6.491 409 2HG2 THR 53 2HG2 THR 53 17.837 -0.941 -7.486 410 3HG2 THR 53 3HG2 THR 53 17.990 -0.936 -5.728 411 HA PRO 54 HA PRO 54 13.033 -5.786 -7.414 412 1HB PRO 54 2HB PRO 54 14.387 -7.853 -6.232 413 2HB PRO 54 1HB PRO 54 14.428 -7.507 -7.968 414 1HG PRO 54 2HG PRO 54 16.497 -7.014 -5.900 415 2HG PRO 54 1HG PRO 54 16.684 -7.324 -7.633 416 1HD PRO 54 2HD PRO 54 16.861 -4.813 -6.378 417 2HD PRO 54 1HD PRO 54 16.683 -5.087 -8.126 418 H GLU 55 H GLU 55 15.121 -4.807 -4.777 419 HA GLU 55 HA GLU 55 13.362 -5.772 -2.682 420 1HB GLU 55 2HB GLU 55 15.784 -3.954 -2.617 421 2HB GLU 55 1HB GLU 55 14.896 -4.473 -1.185 422 1HG GLU 55 2HG GLU 55 15.335 -6.846 -1.808 423 2HG GLU 55 1HG GLU 55 16.302 -6.283 -3.171 424 H GLU 56 H GLU 56 14.083 -2.728 -4.343 425 HA GLU 56 HA GLU 56 12.442 -1.096 -2.644 426 1HB GLU 56 2HB GLU 56 13.838 -0.687 -5.267 427 2HB GLU 56 1HB GLU 56 12.642 0.487 -4.718 428 1HG GLU 56 2HG GLU 56 13.869 0.751 -2.591 429 2HG GLU 56 1HG GLU 56 15.068 -0.420 -3.138 430 H LEU 57 H LEU 57 11.971 -2.672 -5.814 431 HA LEU 57 HA LEU 57 9.437 -1.541 -6.356 432 1HB LEU 57 2HB LEU 57 9.249 -3.044 -8.106 433 2HB LEU 57 1HB LEU 57 10.974 -2.826 -7.945 434 HG LEU 57 HG LEU 57 10.837 -5.013 -6.496 435 1HD1 LEU 57 1HD1 LEU 57 8.131 -4.747 -7.614 436 2HD1 LEU 57 2HD1 LEU 57 8.706 -5.778 -6.303 437 3HD1 LEU 57 3HD1 LEU 57 8.884 -6.300 -7.978 438 1HD2 LEU 57 1HD2 LEU 57 10.387 -5.146 -9.491 439 2HD2 LEU 57 2HD2 LEU 57 11.274 -6.301 -8.497 440 3HD2 LEU 57 3HD2 LEU 57 11.919 -4.680 -8.752 441 H GLN 58 H GLN 58 10.402 -4.437 -4.550 442 HA GLN 58 HA GLN 58 7.733 -5.413 -4.185 443 1HB GLN 58 2HB GLN 58 10.409 -6.185 -3.325 444 2HB GLN 58 1HB GLN 58 9.216 -6.388 -2.042 445 1HG GLN 58 2HG GLN 58 8.852 -7.426 -4.869 446 2HG GLN 58 1HG GLN 58 9.452 -8.404 -3.532 447 1HE2 GLN 58 1HE2 GLN 58 6.606 -7.481 -5.142 448 2HE2 GLN 58 2HE2 GLN 58 5.492 -7.914 -3.938 449 H GLU 59 H GLU 59 9.716 -3.037 -2.552 450 HA GLU 59 HA GLU 59 8.291 -2.966 -0.082 451 1HB GLU 59 2HB GLU 59 10.214 -1.147 -1.477 452 2HB GLU 59 1HB GLU 59 9.277 -0.510 -0.126 453 1HG GLU 59 2HG GLU 59 10.112 -2.240 1.350 454 2HG GLU 59 1HG GLU 59 10.910 -3.061 0.009 455 H MET 60 H MET 60 8.076 -1.018 -3.066 456 HA MET 60 HA MET 60 5.925 0.615 -2.145 457 1HB MET 60 2HB MET 60 5.675 1.286 -4.513 458 2HB MET 60 1HB MET 60 7.352 1.377 -3.976 459 1HG MET 60 2HG MET 60 7.892 -0.704 -5.071 460 2HG MET 60 1HG MET 60 6.194 -1.015 -5.432 461 1HE MET 60 1HE MET 60 6.145 -1.350 -7.726 462 2HE MET 60 2HE MET 60 7.900 -1.354 -7.878 463 3HE MET 60 3HE MET 60 6.928 -0.408 -9.002 464 H ILE 61 H ILE 61 6.077 -2.548 -3.591 465 HA ILE 61 HA ILE 61 3.271 -2.604 -4.322 466 HB ILE 61 HB ILE 61 5.409 -4.747 -4.260 467 1HG1 ILE 61 2HG1 ILE 61 5.721 -3.118 -6.032 468 2HG1 ILE 61 1HG1 ILE 61 5.094 -4.600 -6.748 469 1HG2 ILE 61 1HG2 ILE 61 3.360 -5.906 -3.873 470 2HG2 ILE 61 2HG2 ILE 61 3.660 -6.044 -5.605 471 3HG2 ILE 61 3HG2 ILE 61 2.480 -4.879 -5.005 472 1HD1 ILE 61 1HD1 ILE 61 3.562 -2.062 -6.129 473 2HD1 ILE 61 2HD1 ILE 61 2.775 -3.577 -6.571 474 3HD1 ILE 61 3HD1 ILE 61 3.854 -2.777 -7.713 475 H ASP 62 H ASP 62 5.348 -3.974 -1.791 476 HA ASP 62 HA ASP 62 3.401 -5.508 -0.458 477 1HB ASP 62 2HB ASP 62 5.947 -5.460 -0.085 478 2HB ASP 62 1HB ASP 62 5.638 -4.085 0.977 479 H GLU 63 H GLU 63 4.351 -2.092 -0.036 480 HA GLU 63 HA GLU 63 2.713 -1.581 2.218 481 1HB GLU 63 2HB GLU 63 3.067 0.775 1.744 482 2HB GLU 63 1HB GLU 63 4.573 -0.110 1.518 483 1HG GLU 63 2HG GLU 63 4.180 -0.168 -0.914 484 2HG GLU 63 1HG GLU 63 2.673 0.720 -0.694 485 H VAL 64 H VAL 64 2.073 -1.365 -1.262 486 HA VAL 64 HA VAL 64 -0.563 -0.229 -0.843 487 HB VAL 64 HB VAL 64 0.724 0.376 -2.854 488 1HG1 VAL 64 1HG1 VAL 64 0.951 -1.305 -4.679 489 2HG1 VAL 64 2HG1 VAL 64 0.369 -2.550 -3.574 490 3HG1 VAL 64 3HG1 VAL 64 1.895 -1.727 -3.252 491 1HG2 VAL 64 1HG2 VAL 64 -1.936 -0.077 -2.687 492 2HG2 VAL 64 2HG2 VAL 64 -1.533 -1.181 -3.999 493 3HG2 VAL 64 3HG2 VAL 64 -1.160 0.535 -4.147 494 H ASP 65 H ASP 65 0.807 -3.429 -1.429 495 HA ASP 65 HA ASP 65 -1.748 -4.671 -1.940 496 1HB ASP 65 2HB ASP 65 0.924 -5.425 -2.298 497 2HB ASP 65 1HB ASP 65 0.324 -6.500 -1.040 498 H GLU 66 H GLU 66 -3.151 -4.456 -0.291 499 HA GLU 66 HA GLU 66 -2.450 -4.556 2.475 500 1HB GLU 66 2HB GLU 66 -5.188 -5.068 1.287 501 2HB GLU 66 1HB GLU 66 -4.817 -4.520 2.922 502 1HG GLU 66 2HG GLU 66 -3.848 -2.439 1.998 503 2HG GLU 66 1HG GLU 66 -4.247 -2.985 0.370 504 H ASP 67 H ASP 67 -3.836 -6.911 0.223 505 HA ASP 67 HA ASP 67 -3.989 -8.993 2.232 506 1HB ASP 67 2HB ASP 67 -4.540 -10.452 0.207 507 2HB ASP 67 1HB ASP 67 -5.668 -9.146 0.565 508 H GLY 68 H GLY 68 -1.841 -8.148 -0.457 509 1HA GLY 68 2HA GLY 68 0.338 -8.780 -0.886 510 2HA GLY 68 1HA GLY 68 0.363 -9.572 0.689 511 H SER 69 H SER 69 -1.650 -10.051 -2.205 512 HA SER 69 HA SER 69 -1.356 -12.937 -1.985 513 1HB SER 69 2HB SER 69 -2.959 -12.983 -3.890 514 2HB SER 69 1HB SER 69 -3.553 -12.064 -2.510 515 HG SER 69 HG SER 69 -3.619 -10.380 -3.758 516 H GLY 70 H GLY 70 0.673 -10.705 -3.274 517 1HA GLY 70 2HA GLY 70 2.488 -10.977 -4.684 518 2HA GLY 70 1HA GLY 70 1.933 -12.613 -5.028 519 H THR 71 H THR 71 -0.396 -10.090 -5.368 520 HA THR 71 HA THR 71 0.097 -9.742 -8.230 521 HB THR 71 HB THR 71 -2.103 -10.431 -8.906 522 HG1 THR 71 HG1 THR 71 -2.584 -10.947 -6.153 523 1HG2 THR 71 1HG2 THR 71 -2.078 -12.828 -8.309 524 2HG2 THR 71 2HG2 THR 71 -0.944 -12.488 -7.001 525 3HG2 THR 71 3HG2 THR 71 -0.455 -12.247 -8.679 526 H VAL 72 H VAL 72 -0.417 -7.730 -8.894 527 HA VAL 72 HA VAL 72 -1.602 -5.928 -6.901 528 HB VAL 72 HB VAL 72 -0.416 -5.120 -9.553 529 1HG1 VAL 72 1HG1 VAL 72 -0.083 -2.984 -8.384 530 2HG1 VAL 72 2HG1 VAL 72 -0.745 -3.677 -6.904 531 3HG1 VAL 72 3HG1 VAL 72 -1.779 -3.459 -8.315 532 1HG2 VAL 72 1HG2 VAL 72 1.321 -6.380 -8.434 533 2HG2 VAL 72 2HG2 VAL 72 0.959 -5.602 -6.893 534 3HG2 VAL 72 3HG2 VAL 72 1.676 -4.668 -8.205 535 H ASP 73 H ASP 73 -3.654 -5.378 -7.009 536 HA ASP 73 HA ASP 73 -5.239 -5.962 -9.392 537 1HB ASP 73 2HB ASP 73 -6.130 -4.641 -6.810 538 2HB ASP 73 1HB ASP 73 -7.162 -5.358 -8.048 539 H PHE 74 H PHE 74 -6.723 -4.199 -10.241 540 HA PHE 74 HA PHE 74 -5.215 -1.978 -11.068 541 1HB PHE 74 2HB PHE 74 -7.311 -2.893 -12.183 542 2HB PHE 74 1HB PHE 74 -8.233 -1.994 -10.977 543 HD1 PHE 74 HD1 PHE 74 -5.068 -1.191 -12.815 544 HD2 PHE 74 HD2 PHE 74 -9.149 -0.119 -12.032 545 HE1 PHE 74 HE1 PHE 74 -4.783 0.870 -14.148 546 HE2 PHE 74 HE2 PHE 74 -8.864 1.947 -13.366 547 HZ PHE 74 HZ PHE 74 -6.680 2.445 -14.427 548 H ASP 75 H ASP 75 -7.290 -2.444 -8.269 549 HA ASP 75 HA ASP 75 -7.491 0.311 -7.528 550 1HB ASP 75 2HB ASP 75 -8.806 -1.834 -6.664 551 2HB ASP 75 1HB ASP 75 -7.528 -1.836 -5.448 552 H GLU 76 H GLU 76 -5.284 -2.345 -6.678 553 HA GLU 76 HA GLU 76 -3.688 -0.800 -4.854 554 1HB GLU 76 2HB GLU 76 -2.937 -3.337 -6.342 555 2HB GLU 76 1HB GLU 76 -2.129 -2.680 -4.919 556 1HG GLU 76 2HG GLU 76 -4.173 -2.987 -3.588 557 2HG GLU 76 1HG GLU 76 -5.025 -3.587 -5.009 558 H PHE 77 H PHE 77 -3.678 -1.442 -8.293 559 HA PHE 77 HA PHE 77 -1.065 -0.561 -8.939 560 1HB PHE 77 2HB PHE 77 -3.080 -1.749 -10.318 561 2HB PHE 77 1HB PHE 77 -3.256 -0.099 -10.890 562 HD1 PHE 77 HD1 PHE 77 -2.694 -0.844 -13.143 563 HD2 PHE 77 HD2 PHE 77 0.116 -1.270 -9.909 564 HE1 PHE 77 HE1 PHE 77 -0.864 -1.222 -14.767 565 HE2 PHE 77 HE2 PHE 77 1.931 -1.638 -11.541 566 HZ PHE 77 HZ PHE 77 1.446 -1.619 -13.972 567 H LEU 78 H LEU 78 -4.217 1.101 -8.958 568 HA LEU 78 HA LEU 78 -3.102 3.646 -9.719 569 1HB LEU 78 2HB LEU 78 -5.784 2.602 -9.002 570 2HB LEU 78 1HB LEU 78 -5.511 4.318 -8.761 571 HG LEU 78 HG LEU 78 -5.213 4.709 -11.063 572 1HD1 LEU 78 1HD1 LEU 78 -4.959 1.708 -11.432 573 2HD1 LEU 78 2HD1 LEU 78 -3.623 2.857 -11.475 574 3HD1 LEU 78 3HD1 LEU 78 -4.874 2.916 -12.715 575 1HD2 LEU 78 1HD2 LEU 78 -7.549 4.189 -10.477 576 2HD2 LEU 78 2HD2 LEU 78 -7.255 2.480 -10.802 577 3HD2 LEU 78 3HD2 LEU 78 -7.186 3.652 -12.118 578 H VAL 79 H VAL 79 -3.823 2.028 -6.696 579 HA VAL 79 HA VAL 79 -3.841 4.294 -4.991 580 HB VAL 79 HB VAL 79 -3.549 1.352 -4.654 581 1HG1 VAL 79 1HG1 VAL 79 -2.692 3.317 -2.510 582 2HG1 VAL 79 2HG1 VAL 79 -1.635 2.180 -3.352 583 3HG1 VAL 79 3HG1 VAL 79 -2.907 1.579 -2.286 584 1HG2 VAL 79 1HG2 VAL 79 -5.671 2.818 -4.495 585 2HG2 VAL 79 2HG2 VAL 79 -5.034 3.341 -2.936 586 3HG2 VAL 79 3HG2 VAL 79 -5.403 1.638 -3.212 587 H MET 80 H MET 80 -1.269 2.108 -6.070 588 HA MET 80 HA MET 80 0.908 2.946 -4.628 589 1HB MET 80 2HB MET 80 0.511 1.411 -6.924 590 2HB MET 80 1HB MET 80 1.614 2.687 -7.437 591 1HG MET 80 2HG MET 80 2.828 2.112 -5.153 592 2HG MET 80 1HG MET 80 2.007 0.566 -5.361 593 1HE MET 80 1HE MET 80 1.990 -0.786 -7.361 594 2HE MET 80 2HE MET 80 3.214 -0.849 -8.627 595 3HE MET 80 3HE MET 80 1.947 0.374 -8.695 596 H MET 81 H MET 81 -0.731 4.714 -7.203 597 HA MET 81 HA MET 81 1.311 6.587 -7.796 598 1HB MET 81 2HB MET 81 -1.623 6.437 -8.240 599 2HB MET 81 1HB MET 81 -0.905 8.045 -8.280 600 1HG MET 81 2HG MET 81 0.242 5.723 -9.818 601 2HG MET 81 1HG MET 81 -0.974 6.802 -10.502 602 1HE MET 81 1HE MET 81 2.250 6.267 -11.501 603 2HE MET 81 2HE MET 81 2.430 5.954 -9.776 604 3HE MET 81 3HE MET 81 3.388 7.222 -10.538 605 H VAL 82 H VAL 82 -1.569 6.951 -5.712 606 HA VAL 82 HA VAL 82 -0.739 9.433 -4.591 607 HB VAL 82 HB VAL 82 -2.487 9.010 -2.877 608 1HG1 VAL 82 1HG1 VAL 82 -4.389 8.799 -4.535 609 2HG1 VAL 82 2HG1 VAL 82 -3.178 8.473 -5.776 610 3HG1 VAL 82 3HG1 VAL 82 -3.190 10.026 -4.940 611 1HG2 VAL 82 1HG2 VAL 82 -2.939 6.398 -4.347 612 2HG2 VAL 82 2HG2 VAL 82 -3.784 6.975 -2.910 613 3HG2 VAL 82 3HG2 VAL 82 -2.085 6.510 -2.807 614 H ARG 83 H ARG 83 -0.142 6.080 -3.748 615 HA ARG 83 HA ARG 83 0.769 6.382 -1.102 616 1HB ARG 83 2HB ARG 83 1.545 4.410 -3.262 617 2HB ARG 83 1HB ARG 83 2.126 4.302 -1.601 618 1HG ARG 83 2HG ARG 83 -0.810 4.631 -1.950 619 2HG ARG 83 1HG ARG 83 -0.131 3.079 -2.439 620 1HD ARG 83 2HD ARG 83 0.808 2.707 -0.263 621 2HD ARG 83 1HD ARG 83 0.455 4.356 0.239 622 HE ARG 83 HE ARG 83 -1.986 3.182 -0.440 623 1HH1 ARG 83 2HH1 ARG 83 0.585 2.717 1.876 624 2HH1 ARG 83 1HH1 ARG 83 -0.455 2.041 3.083 625 1HH2 ARG 83 1HH2 ARG 83 -3.331 2.291 1.155 626 2HH2 ARG 83 2HH2 ARG 83 -2.666 1.799 2.676 627 H CYS 84 H CYS 84 2.417 6.731 -4.216 628 HA CYS 84 HA CYS 84 5.048 7.079 -3.204 629 1HB CYS 84 2HB CYS 84 4.298 6.630 -5.639 630 2HB CYS 84 1HB CYS 84 4.059 8.373 -5.738 631 HG CYS 84 HG CYS 84 6.497 8.451 -6.190 632 H MET 85 H MET 85 2.438 9.365 -3.996 633 HA MET 85 HA MET 85 3.934 11.732 -3.458 634 1HB MET 85 2HB MET 85 1.672 11.479 -4.714 635 2HB MET 85 1HB MET 85 0.949 11.545 -3.106 636 1HG MET 85 2HG MET 85 2.986 13.618 -3.578 637 2HG MET 85 1HG MET 85 1.582 13.746 -4.636 638 1HE MET 85 1HE MET 85 1.697 16.098 -3.349 639 2HE MET 85 2HE MET 85 0.306 16.347 -2.297 640 3HE MET 85 3HE MET 85 0.079 15.629 -3.890 641 H LYS 86 H LYS 86 1.531 9.918 -1.537 642 HA LYS 86 HA LYS 86 1.270 9.647 0.723 643 1HB LYS 86 2HB LYS 86 3.901 9.608 0.565 644 2HB LYS 86 1HB LYS 86 3.760 11.186 1.344 645 1HG LYS 86 2HG LYS 86 3.750 9.917 3.250 646 2HG LYS 86 1HG LYS 86 2.033 9.774 2.874 647 1HD LYS 86 2HD LYS 86 2.601 7.535 3.129 648 2HD LYS 86 1HD LYS 86 2.848 7.737 1.395 649 1HE LYS 86 2HE LYS 86 5.244 8.118 1.757 650 2HE LYS 86 1HE LYS 86 5.017 7.991 3.502 651 1HZ LYS 86 1HZ LYS 86 5.807 5.913 2.543 652 2HZ LYS 86 2HZ LYS 86 4.446 5.844 1.528 653 3HZ LYS 86 3HZ LYS 86 4.260 5.723 3.213 654 H ASP 87 H ASP 87 -0.110 10.721 1.944 655 HA ASP 87 HA ASP 87 -0.482 13.572 1.576 656 1HB ASP 87 2HB ASP 87 -2.294 11.715 1.939 657 2HB ASP 87 1HB ASP 87 -1.937 11.965 3.648 658 H ASP 88 H ASP 88 0.871 11.429 4.010 659 HA ASP 88 HA ASP 88 2.194 11.854 5.836 660 1HB ASP 88 2HB ASP 88 2.992 13.834 4.340 661 2HB ASP 88 1HB ASP 88 1.980 14.822 5.393 662 H SER 89 HN SER 89 0.962 11.244 7.501 663 HA SER 89 HA SER 89 -0.730 13.301 8.778 664 1HB SER 89 2HB SER 89 -2.021 11.480 7.448 665 2HB SER 89 1HB SER 89 -1.553 10.407 8.764 666 HG SER 89 HG SER 89 -3.487 12.262 8.692 Start of MODEL 23 1 1H MET 1 1H MET 1 -8.679 4.323 10.150 2 2H MET 1 2H MET 1 -8.992 2.681 9.844 3 3H MET 1 3H MET 1 -10.018 3.569 10.865 4 HA MET 1 HA MET 1 -11.191 3.425 8.867 5 1HB MET 1 2HB MET 1 -10.698 5.793 9.930 6 2HB MET 1 1HB MET 1 -9.797 6.050 8.436 7 1HG MET 1 2HG MET 1 -11.823 5.411 7.137 8 2HG MET 1 1HG MET 1 -12.715 5.243 8.648 9 1HE MET 1 1HE MET 1 -12.115 7.406 5.765 10 2HE MET 1 2HE MET 1 -10.518 7.566 6.490 11 3HE MET 1 3HE MET 1 -11.563 8.978 6.359 12 H ASN 2 H ASN 2 -7.874 4.582 8.237 13 HA ASN 2 HA ASN 2 -6.604 4.626 6.314 14 1HB ASN 2 2HB ASN 2 -6.086 2.393 5.465 15 2HB ASN 2 1HB ASN 2 -6.181 2.384 7.224 16 1HD2 ASN 2 1HD2 ASN 2 -8.182 1.446 8.198 17 2HD2 ASN 2 2HD2 ASN 2 -9.104 0.330 7.312 18 H ASP 3 H ASP 3 -9.272 5.540 5.801 19 HA ASP 3 HA ASP 3 -9.751 4.551 3.053 20 1HB ASP 3 2HB ASP 3 -11.511 5.547 5.206 21 2HB ASP 3 1HB ASP 3 -11.886 6.158 3.598 22 H ILE 4 H ILE 4 -7.676 6.542 4.001 23 HA ILE 4 HA ILE 4 -8.570 9.079 2.923 24 HB ILE 4 HB ILE 4 -6.252 9.834 3.369 25 1HG1 ILE 4 2HG1 ILE 4 -5.114 7.881 4.930 26 2HG1 ILE 4 1HG1 ILE 4 -5.846 6.917 3.648 27 1HG2 ILE 4 1HG2 ILE 4 -7.467 8.297 5.681 28 2HG2 ILE 4 2HG2 ILE 4 -8.030 9.873 5.122 29 3HG2 ILE 4 3HG2 ILE 4 -6.407 9.703 5.792 30 1HD1 ILE 4 1HD1 ILE 4 -4.198 9.362 3.015 31 2HD1 ILE 4 2HD1 ILE 4 -4.610 8.012 1.958 32 3HD1 ILE 4 3HD1 ILE 4 -3.443 7.788 3.261 33 H TYR 5 H TYR 5 -6.601 6.357 1.867 34 HA TYR 5 HA TYR 5 -5.520 7.589 -0.468 35 1HB TYR 5 2HB TYR 5 -6.011 4.658 0.126 36 2HB TYR 5 1HB TYR 5 -5.049 5.275 -1.218 37 HD1 TYR 5 HD1 TYR 5 -3.117 6.935 -0.598 38 HD2 TYR 5 HD2 TYR 5 -4.987 4.258 2.194 39 HE1 TYR 5 HE1 TYR 5 -1.150 7.122 0.900 40 HE2 TYR 5 HE2 TYR 5 -3.024 4.450 3.692 41 HH TYR 5 HH TYR 5 -0.990 6.680 3.782 42 H LYS 6 H LYS 6 -8.551 5.964 0.242 43 HA LYS 6 HA LYS 6 -9.409 5.482 -2.417 44 1HB LYS 6 2HB LYS 6 -10.698 5.586 0.254 45 2HB LYS 6 1HB LYS 6 -11.757 5.821 -1.138 46 1HG LYS 6 2HG LYS 6 -10.442 3.734 -2.095 47 2HG LYS 6 1HG LYS 6 -10.115 3.425 -0.389 48 1HD LYS 6 2HD LYS 6 -12.925 4.096 -1.118 49 2HD LYS 6 1HD LYS 6 -12.330 2.512 -1.613 50 1HE LYS 6 2HE LYS 6 -11.687 3.333 1.168 51 2HE LYS 6 1HE LYS 6 -13.383 2.989 0.834 52 1HZ LYS 6 1HZ LYS 6 -11.100 1.177 0.257 53 2HZ LYS 6 2HZ LYS 6 -12.733 0.847 -0.081 54 3HZ LYS 6 3HZ LYS 6 -12.209 1.000 1.528 55 H ALA 7 H ALA 7 -9.540 8.335 -0.349 56 HA ALA 7 HA ALA 7 -11.394 9.844 -1.876 57 1HB ALA 7 1HB ALA 7 -9.167 10.689 -0.014 58 2HB ALA 7 2HB ALA 7 -10.889 10.580 0.349 59 3HB ALA 7 3HB ALA 7 -10.298 11.825 -0.751 60 H ALA 8 H ALA 8 -7.943 9.242 -2.228 61 HA ALA 8 HA ALA 8 -7.479 11.361 -4.122 62 1HB ALA 8 1HB ALA 8 -5.653 10.425 -2.739 63 2HB ALA 8 2HB ALA 8 -5.300 10.311 -4.463 64 3HB ALA 8 3HB ALA 8 -5.828 8.882 -3.575 65 H VAL 9 H VAL 9 -7.966 7.829 -4.349 66 HA VAL 9 HA VAL 9 -7.757 7.722 -7.190 67 HB VAL 9 HB VAL 9 -7.513 5.762 -5.611 68 1HG1 VAL 9 1HG1 VAL 9 -9.660 4.576 -5.055 69 2HG1 VAL 9 2HG1 VAL 9 -10.531 6.024 -5.561 70 3HG1 VAL 9 3HG1 VAL 9 -9.428 6.093 -4.187 71 1HG2 VAL 9 1HG2 VAL 9 -9.522 5.466 -7.869 72 2HG2 VAL 9 2HG2 VAL 9 -8.543 4.169 -7.184 73 3HG2 VAL 9 3HG2 VAL 9 -7.769 5.489 -8.059 74 H GLU 10 H GLU 10 -10.278 8.694 -5.029 75 HA GLU 10 HA GLU 10 -12.437 8.349 -6.932 76 1HB GLU 10 2HB GLU 10 -12.175 9.324 -4.134 77 2HB GLU 10 1HB GLU 10 -13.519 9.961 -5.082 78 1HG GLU 10 2HG GLU 10 -14.397 7.781 -5.493 79 2HG GLU 10 1HG GLU 10 -12.921 7.002 -4.921 80 H GLN 11 H GLN 11 -10.051 10.776 -6.244 81 HA GLN 11 HA GLN 11 -11.605 12.752 -7.808 82 1HB GLN 11 2HB GLN 11 -10.419 14.510 -6.660 83 2HB GLN 11 1HB GLN 11 -11.100 13.414 -5.460 84 1HG GLN 11 2HG GLN 11 -8.886 12.255 -5.325 85 2HG GLN 11 1HG GLN 11 -8.224 13.461 -6.427 86 1HE2 GLN 11 1HE2 GLN 11 -9.772 13.123 -3.204 87 2HE2 GLN 11 2HE2 GLN 11 -9.099 14.544 -2.566 88 H LEU 12 H LEU 12 -9.407 10.564 -8.540 89 HA LEU 12 HA LEU 12 -7.333 12.211 -9.721 90 1HB LEU 12 2HB LEU 12 -6.779 9.981 -10.912 91 2HB LEU 12 1HB LEU 12 -6.462 10.147 -9.202 92 HG LEU 12 HG LEU 12 -8.413 8.819 -8.667 93 1HD1 LEU 12 1HD1 LEU 12 -10.018 9.421 -10.310 94 2HD1 LEU 12 2HD1 LEU 12 -9.642 7.733 -10.655 95 3HD1 LEU 12 3HD1 LEU 12 -8.930 9.013 -11.637 96 1HD2 LEU 12 1HD2 LEU 12 -7.690 6.696 -9.598 97 2HD2 LEU 12 2HD2 LEU 12 -6.263 7.691 -9.308 98 3HD2 LEU 12 3HD2 LEU 12 -6.898 7.514 -10.945 99 H THR 13 H THR 13 -6.824 11.629 -12.171 100 HA THR 13 HA THR 13 -9.212 12.468 -13.659 101 HB THR 13 HB THR 13 -7.232 12.444 -15.521 102 HG1 THR 13 HG1 THR 13 -5.510 11.989 -14.363 103 1HG2 THR 13 1HG2 THR 13 -7.970 14.554 -15.519 104 2HG2 THR 13 2HG2 THR 13 -6.931 14.888 -14.134 105 3HG2 THR 13 3HG2 THR 13 -8.598 14.370 -13.881 106 H ASP 14 H ASP 14 -9.508 11.567 -15.859 107 HA ASP 14 HA ASP 14 -9.776 8.717 -15.756 108 1HB ASP 14 2HB ASP 14 -10.249 10.799 -17.877 109 2HB ASP 14 1HB ASP 14 -10.322 9.082 -18.276 110 H GLU 15 H GLU 15 -7.461 10.969 -17.124 111 HA GLU 15 HA GLU 15 -6.077 9.119 -18.805 112 1HB GLU 15 2HB GLU 15 -5.294 11.771 -17.588 113 2HB GLU 15 1HB GLU 15 -4.195 10.836 -18.601 114 1HG GLU 15 2HG GLU 15 -5.189 12.117 -20.242 115 2HG GLU 15 1HG GLU 15 -6.333 10.776 -20.210 116 H GLN 16 H GLN 16 -5.885 9.979 -15.403 117 HA GLN 16 HA GLN 16 -3.375 8.744 -14.840 118 1HB GLN 16 2HB GLN 16 -5.484 10.057 -13.340 119 2HB GLN 16 1HB GLN 16 -4.931 8.604 -12.507 120 1HG GLN 16 2HG GLN 16 -2.798 9.420 -12.203 121 2HG GLN 16 1HG GLN 16 -2.848 10.396 -13.670 122 1HE2 GLN 16 1HE2 GLN 16 -4.711 10.260 -10.569 123 2HE2 GLN 16 2HE2 GLN 16 -4.707 11.939 -10.334 124 H LYS 17 H LYS 17 -6.758 7.683 -14.627 125 HA LYS 17 HA LYS 17 -6.243 5.091 -13.583 126 1HB LYS 17 2HB LYS 17 -8.558 6.071 -15.278 127 2HB LYS 17 1HB LYS 17 -8.514 4.535 -14.414 128 1HG LYS 17 2HG LYS 17 -8.649 5.549 -12.320 129 2HG LYS 17 1HG LYS 17 -7.987 7.077 -12.904 130 1HD LYS 17 2HD LYS 17 -10.242 7.621 -12.685 131 2HD LYS 17 1HD LYS 17 -10.173 7.126 -14.375 132 1HE LYS 17 2HE LYS 17 -10.573 4.745 -12.935 133 2HE LYS 17 1HE LYS 17 -11.641 5.924 -12.177 134 1HZ LYS 17 1HZ LYS 17 -11.494 5.457 -15.105 135 2HZ LYS 17 2HZ LYS 17 -12.619 6.427 -14.277 136 3HZ LYS 17 3HZ LYS 17 -12.644 4.738 -14.085 137 H ASN 18 H ASN 18 -6.643 6.343 -16.886 138 HA ASN 18 HA ASN 18 -6.385 3.847 -18.222 139 1HB ASN 18 2HB ASN 18 -6.300 6.710 -19.011 140 2HB ASN 18 1HB ASN 18 -5.531 5.562 -20.106 141 1HD2 ASN 18 1HD2 ASN 18 -8.641 6.373 -18.548 142 2HD2 ASN 18 2HD2 ASN 18 -9.595 5.474 -19.626 143 H GLU 19 H GLU 19 -4.037 6.199 -17.052 144 HA GLU 19 HA GLU 19 -1.756 5.408 -18.462 145 1HB GLU 19 2HB GLU 19 -1.942 7.371 -16.877 146 2HB GLU 19 1HB GLU 19 -1.782 6.224 -15.548 147 1HG GLU 19 2HG GLU 19 0.414 5.633 -16.155 148 2HG GLU 19 1HG GLU 19 0.229 6.264 -17.791 149 H PHE 20 H PHE 20 -2.997 4.203 -15.343 150 HA PHE 20 HA PHE 20 -1.007 2.113 -15.173 151 1HB PHE 20 2HB PHE 20 -3.406 2.901 -13.551 152 2HB PHE 20 1HB PHE 20 -2.652 1.328 -13.303 153 HD1 PHE 20 HD1 PHE 20 -2.211 4.974 -13.037 154 HD2 PHE 20 HD2 PHE 20 -0.377 1.140 -12.422 155 HE1 PHE 20 HE1 PHE 20 -0.450 6.041 -11.662 156 HE2 PHE 20 HE2 PHE 20 1.377 2.193 -11.032 157 HZ PHE 20 HZ PHE 20 1.350 4.649 -10.657 158 H LYS 21 H LYS 21 -4.513 2.265 -15.812 159 HA LYS 21 HA LYS 21 -5.079 -0.433 -16.055 160 1HB LYS 21 2HB LYS 21 -6.703 1.525 -16.185 161 2HB LYS 21 1HB LYS 21 -6.270 1.642 -17.888 162 1HG LYS 21 2HG LYS 21 -8.217 0.254 -17.802 163 2HG LYS 21 1HG LYS 21 -6.858 -0.834 -18.073 164 1HD LYS 21 2HD LYS 21 -6.765 -1.215 -15.583 165 2HD LYS 21 1HD LYS 21 -8.263 -0.294 -15.446 166 1HE LYS 21 2HE LYS 21 -8.072 -2.621 -17.349 167 2HE LYS 21 1HE LYS 21 -8.416 -2.889 -15.642 168 1HZ LYS 21 1HZ LYS 21 -9.986 -1.265 -17.564 169 2HZ LYS 21 2HZ LYS 21 -10.251 -1.237 -15.886 170 3HZ LYS 21 3HZ LYS 21 -10.478 -2.676 -16.761 171 H ALA 22 H ALA 22 -3.515 1.692 -18.416 172 HA ALA 22 HA ALA 22 -3.673 0.033 -20.687 173 1HB ALA 22 1HB ALA 22 -2.859 2.332 -20.852 174 2HB ALA 22 2HB ALA 22 -1.630 1.222 -21.459 175 3HB ALA 22 3HB ALA 22 -1.462 1.931 -19.853 176 H ALA 23 H ALA 23 -1.072 0.323 -18.260 177 HA ALA 23 HA ALA 23 0.435 -1.909 -19.205 178 1HB ALA 23 1HB ALA 23 0.415 -0.558 -16.490 179 2HB ALA 23 2HB ALA 23 1.489 -0.175 -17.835 180 3HB ALA 23 3HB ALA 23 1.613 -1.736 -17.026 181 H PHE 24 H PHE 24 -2.129 -1.457 -16.841 182 HA PHE 24 HA PHE 24 -2.018 -3.926 -15.510 183 1HB PHE 24 2HB PHE 24 -3.460 -1.850 -14.985 184 2HB PHE 24 1HB PHE 24 -4.601 -2.508 -16.155 185 HD1 PHE 24 HD1 PHE 24 -5.407 -4.931 -15.816 186 HD2 PHE 24 HD2 PHE 24 -3.408 -2.662 -12.772 187 HE1 PHE 24 HE1 PHE 24 -6.285 -6.475 -14.087 188 HE2 PHE 24 HE2 PHE 24 -4.283 -4.203 -11.046 189 HZ PHE 24 HZ PHE 24 -5.723 -6.104 -11.703 190 H ASP 25 H ASP 25 -3.693 -2.974 -18.502 191 HA ASP 25 HA ASP 25 -5.056 -5.430 -18.908 192 1HB ASP 25 2HB ASP 25 -4.419 -3.054 -20.595 193 2HB ASP 25 1HB ASP 25 -4.934 -4.533 -21.407 194 H ILE 26 H ILE 26 -1.951 -4.215 -20.208 195 HA ILE 26 HA ILE 26 -1.452 -6.484 -21.844 196 HB ILE 26 HB ILE 26 0.926 -5.707 -21.861 197 1HG1 ILE 26 2HG1 ILE 26 -0.132 -3.504 -20.062 198 2HG1 ILE 26 1HG1 ILE 26 0.917 -4.810 -19.518 199 1HG2 ILE 26 1HG2 ILE 26 -1.100 -3.487 -22.256 200 2HG2 ILE 26 2HG2 ILE 26 -0.857 -4.817 -23.389 201 3HG2 ILE 26 3HG2 ILE 26 0.447 -3.669 -23.084 202 1HD1 ILE 26 1HD1 ILE 26 2.671 -3.534 -20.116 203 2HD1 ILE 26 2HD1 ILE 26 1.617 -2.356 -20.897 204 3HD1 ILE 26 3HD1 ILE 26 2.184 -3.765 -21.795 205 H PHE 27 H PHE 27 -0.571 -5.756 -18.477 206 HA PHE 27 HA PHE 27 1.016 -8.153 -18.191 207 1HB PHE 27 2HB PHE 27 -0.064 -6.203 -16.143 208 2HB PHE 27 1HB PHE 27 0.961 -7.581 -15.744 209 HD1 PHE 27 HD1 PHE 27 3.017 -7.734 -17.686 210 HD2 PHE 27 HD2 PHE 27 1.130 -4.203 -16.131 211 HE1 PHE 27 HE1 PHE 27 5.017 -6.402 -18.284 212 HE2 PHE 27 HE2 PHE 27 3.132 -2.872 -16.732 213 HZ PHE 27 HZ PHE 27 5.076 -3.970 -17.807 214 H ILE 28 H ILE 28 -2.337 -7.241 -17.599 215 HA ILE 28 HA ILE 28 -2.878 -9.920 -16.490 216 HB ILE 28 HB ILE 28 -3.613 -7.595 -15.434 217 1HG1 ILE 28 2HG1 ILE 28 -4.026 -9.932 -14.602 218 2HG1 ILE 28 1HG1 ILE 28 -5.285 -8.768 -14.191 219 1HG2 ILE 28 1HG2 ILE 28 -4.934 -7.116 -17.632 220 2HG2 ILE 28 2HG2 ILE 28 -5.678 -6.737 -16.080 221 3HG2 ILE 28 3HG2 ILE 28 -6.137 -8.202 -16.940 222 1HD1 ILE 28 1HD1 ILE 28 -6.323 -10.836 -14.961 223 2HD1 ILE 28 2HD1 ILE 28 -5.367 -10.796 -16.441 224 3HD1 ILE 28 3HD1 ILE 28 -6.603 -9.571 -16.158 225 H GLN 29 H GLN 29 -2.282 -9.566 -19.243 226 HA GLN 29 HA GLN 29 -4.734 -9.601 -20.773 227 1HB GLN 29 2HB GLN 29 -2.545 -8.776 -21.686 228 2HB GLN 29 1HB GLN 29 -1.956 -10.437 -21.639 229 1HG GLN 29 2HG GLN 29 -3.383 -11.141 -23.330 230 2HG GLN 29 1HG GLN 29 -4.553 -9.857 -23.019 231 1HE2 GLN 29 1HE2 GLN 29 -3.861 -7.595 -23.674 232 2HE2 GLN 29 2HE2 GLN 29 -2.779 -7.422 -24.970 233 H ASP 30 H ASP 30 -2.219 -11.993 -19.953 234 HA ASP 30 HA ASP 30 -3.844 -14.189 -20.936 235 1HB ASP 30 2HB ASP 30 -1.189 -13.883 -20.856 236 2HB ASP 30 1HB ASP 30 -1.406 -14.698 -19.308 237 H ALA 31 H ALA 31 -3.972 -12.422 -18.114 238 HA ALA 31 HA ALA 31 -4.566 -14.747 -16.412 239 1HB ALA 31 1HB ALA 31 -3.295 -13.354 -15.090 240 2HB ALA 31 2HB ALA 31 -4.901 -12.729 -14.713 241 3HB ALA 31 3HB ALA 31 -3.879 -11.889 -15.881 242 H GLU 32 H GLU 32 -6.539 -14.882 -15.270 243 HA GLU 32 HA GLU 32 -8.763 -13.300 -16.424 244 1HB GLU 32 2HB GLU 32 -10.182 -15.341 -16.249 245 2HB GLU 32 1HB GLU 32 -8.860 -15.520 -17.401 246 1HG GLU 32 2HG GLU 32 -7.521 -16.663 -15.621 247 2HG GLU 32 1HG GLU 32 -8.922 -16.573 -14.556 248 H ASP 33 H ASP 33 -7.295 -12.804 -13.973 249 HA ASP 33 HA ASP 33 -9.370 -13.387 -11.943 250 1HB ASP 33 2HB ASP 33 -6.817 -14.095 -11.695 251 2HB ASP 33 1HB ASP 33 -6.656 -12.423 -11.157 252 H GLY 34 H GLY 34 -7.168 -10.893 -13.189 253 1HA GLY 34 2HA GLY 34 -7.969 -8.642 -13.573 254 2HA GLY 34 1HA GLY 34 -9.025 -8.829 -12.176 255 H CYS 35 H CYS 35 -5.615 -9.766 -12.372 256 HA CYS 35 HA CYS 35 -4.747 -7.456 -10.814 257 1HB CYS 35 2HB CYS 35 -3.991 -10.105 -9.655 258 2HB CYS 35 1HB CYS 35 -4.134 -8.537 -8.866 259 HG CYS 35 HG CYS 35 -6.537 -10.420 -9.517 260 H ILE 36 H ILE 36 -2.615 -6.976 -11.182 261 HA ILE 36 HA ILE 36 -1.265 -8.535 -13.231 262 HB ILE 36 HB ILE 36 0.328 -6.773 -13.368 263 1HG1 ILE 36 2HG1 ILE 36 -0.206 -4.883 -11.419 264 2HG1 ILE 36 1HG1 ILE 36 -0.369 -6.400 -10.532 265 1HG2 ILE 36 1HG2 ILE 36 -2.118 -6.282 -14.028 266 2HG2 ILE 36 2HG2 ILE 36 -1.035 -4.902 -13.847 267 3HG2 ILE 36 3HG2 ILE 36 -2.179 -5.298 -12.565 268 1HD1 ILE 36 1HD1 ILE 36 2.020 -5.542 -12.194 269 2HD1 ILE 36 2HD1 ILE 36 1.855 -7.118 -11.420 270 3HD1 ILE 36 3HD1 ILE 36 1.959 -5.659 -10.436 271 H SER 37 H SER 37 1.105 -9.049 -12.937 272 HA SER 37 HA SER 37 1.394 -10.555 -10.454 273 1HB SER 37 2HB SER 37 2.043 -11.230 -12.977 274 2HB SER 37 1HB SER 37 3.580 -10.537 -12.468 275 HG SER 37 HG SER 37 3.554 -12.700 -11.912 276 H THR 38 H THR 38 2.103 -9.423 -8.756 277 HA THR 38 HA THR 38 3.540 -7.047 -8.726 278 HB THR 38 HB THR 38 4.153 -7.574 -6.408 279 HG1 THR 38 HG1 THR 38 3.175 -10.159 -7.050 280 1HG2 THR 38 1HG2 THR 38 1.378 -8.282 -7.341 281 2HG2 THR 38 2HG2 THR 38 1.938 -6.799 -6.570 282 3HG2 THR 38 3HG2 THR 38 1.790 -8.280 -5.628 283 H LYS 39 H LYS 39 4.755 -10.384 -8.756 284 HA LYS 39 HA LYS 39 7.503 -9.791 -8.440 285 1HB LYS 39 2HB LYS 39 7.917 -12.023 -9.386 286 2HB LYS 39 1HB LYS 39 6.627 -12.073 -8.187 287 1HG LYS 39 2HG LYS 39 5.201 -11.575 -10.472 288 2HG LYS 39 1HG LYS 39 6.514 -12.572 -11.098 289 1HD LYS 39 2HD LYS 39 5.207 -13.473 -8.572 290 2HD LYS 39 1HD LYS 39 4.284 -13.648 -10.065 291 1HE LYS 39 2HE LYS 39 6.406 -14.733 -11.044 292 2HE LYS 39 1HE LYS 39 6.967 -14.851 -9.376 293 1HZ LYS 39 1HZ LYS 39 5.824 -16.861 -10.050 294 2HZ LYS 39 2HZ LYS 39 4.430 -15.973 -10.441 295 3HZ LYS 39 3HZ LYS 39 4.952 -16.075 -8.828 296 H GLU 40 H GLU 40 5.363 -9.623 -11.205 297 HA GLU 40 HA GLU 40 7.631 -9.139 -13.022 298 1HB GLU 40 2HB GLU 40 4.686 -9.498 -13.641 299 2HB GLU 40 1HB GLU 40 5.980 -9.332 -14.828 300 1HG GLU 40 2HG GLU 40 7.059 -11.373 -13.680 301 2HG GLU 40 1HG GLU 40 5.494 -11.607 -12.899 302 H LEU 41 H LEU 41 6.340 -7.252 -10.892 303 HA LEU 41 HA LEU 41 5.159 -5.125 -12.393 304 1HB LEU 41 2HB LEU 41 5.050 -5.649 -9.830 305 2HB LEU 41 1HB LEU 41 6.499 -4.669 -9.763 306 HG LEU 41 HG LEU 41 4.254 -3.458 -11.253 307 1HD1 LEU 41 1HD1 LEU 41 3.353 -4.769 -9.128 308 2HD1 LEU 41 2HD1 LEU 41 2.782 -3.140 -9.492 309 3HD1 LEU 41 3HD1 LEU 41 4.029 -3.386 -8.269 310 1HD2 LEU 41 1HD2 LEU 41 5.040 -1.474 -10.153 311 2HD2 LEU 41 2HD2 LEU 41 6.473 -2.391 -10.616 312 3HD2 LEU 41 3HD2 LEU 41 5.913 -2.415 -8.942 313 H GLY 42 H GLY 42 8.393 -6.180 -12.045 314 1HA GLY 42 2HA GLY 42 9.856 -3.789 -12.074 315 2HA GLY 42 1HA GLY 42 10.383 -5.304 -12.806 316 H LYS 43 H LYS 43 8.138 -5.521 -14.626 317 HA LYS 43 HA LYS 43 9.128 -3.910 -16.799 318 1HB LYS 43 2HB LYS 43 6.633 -5.634 -16.708 319 2HB LYS 43 1HB LYS 43 7.451 -5.041 -18.153 320 1HG LYS 43 2HG LYS 43 8.717 -6.889 -16.101 321 2HG LYS 43 1HG LYS 43 8.011 -7.424 -17.626 322 1HD LYS 43 2HD LYS 43 10.194 -5.335 -17.510 323 2HD LYS 43 1HD LYS 43 10.547 -7.058 -17.620 324 1HE LYS 43 2HE LYS 43 10.266 -6.928 -19.849 325 2HE LYS 43 1HE LYS 43 8.569 -6.536 -19.576 326 1HZ LYS 43 1HZ LYS 43 9.221 -4.193 -19.347 327 2HZ LYS 43 2HZ LYS 43 9.605 -4.820 -20.878 328 3HZ LYS 43 3HZ LYS 43 10.824 -4.606 -19.715 329 H VAL 44 H VAL 44 6.586 -3.648 -14.448 330 HA VAL 44 HA VAL 44 4.940 -1.774 -15.869 331 HB VAL 44 HB VAL 44 5.093 -2.154 -12.869 332 1HG1 VAL 44 1HG1 VAL 44 2.856 -1.285 -12.880 333 2HG1 VAL 44 2HG1 VAL 44 2.767 -1.368 -14.638 334 3HG1 VAL 44 3HG1 VAL 44 3.830 -0.194 -13.863 335 1HG2 VAL 44 1HG2 VAL 44 4.693 -4.263 -14.446 336 2HG2 VAL 44 2HG2 VAL 44 3.073 -3.574 -14.564 337 3HG2 VAL 44 3HG2 VAL 44 3.725 -4.023 -12.991 338 H MET 45 H MET 45 7.320 -1.548 -13.232 339 HA MET 45 HA MET 45 7.281 1.235 -12.893 340 1HB MET 45 2HB MET 45 9.527 -0.754 -12.486 341 2HB MET 45 1HB MET 45 9.607 0.933 -11.980 342 1HG MET 45 2HG MET 45 7.167 -0.502 -11.125 343 2HG MET 45 1HG MET 45 8.664 -1.087 -10.400 344 1HE MET 45 1HE MET 45 6.515 1.522 -8.101 345 2HE MET 45 2HE MET 45 6.898 -0.187 -8.292 346 3HE MET 45 3HE MET 45 5.889 0.621 -9.489 347 H ARG 46 H ARG 46 9.182 -0.819 -15.083 348 HA ARG 46 HA ARG 46 10.866 1.172 -16.155 349 1HB ARG 46 2HB ARG 46 9.761 -1.357 -17.395 350 2HB ARG 46 1HB ARG 46 10.967 -0.335 -18.180 351 1HG ARG 46 2HG ARG 46 12.559 -0.709 -16.442 352 2HG ARG 46 1HG ARG 46 11.342 -1.425 -15.389 353 1HD ARG 46 2HD ARG 46 11.268 -3.418 -16.603 354 2HD ARG 46 1HD ARG 46 11.896 -2.667 -18.065 355 HE ARG 46 HE ARG 46 13.909 -2.510 -16.124 356 1HH1 ARG 46 2HH1 ARG 46 12.135 -4.944 -17.887 357 2HH1 ARG 46 1HH1 ARG 46 13.422 -6.098 -17.838 358 1HH2 ARG 46 1HH2 ARG 46 15.587 -4.034 -16.077 359 2HH2 ARG 46 2HH2 ARG 46 15.373 -5.585 -16.818 360 H MET 47 H MET 47 7.577 0.206 -16.966 361 HA MET 47 HA MET 47 7.366 1.950 -19.264 362 1HB MET 47 2HB MET 47 5.292 0.429 -17.673 363 2HB MET 47 1HB MET 47 4.927 1.376 -19.114 364 1HG MET 47 2HG MET 47 6.979 -0.852 -19.074 365 2HG MET 47 1HG MET 47 5.295 -1.097 -19.537 366 1HE MET 47 1HE MET 47 8.542 -0.355 -22.230 367 2HE MET 47 2HE MET 47 7.654 -1.792 -21.732 368 3HE MET 47 3HE MET 47 8.529 -0.847 -20.531 369 H LEU 48 H LEU 48 6.736 2.163 -15.827 370 HA LEU 48 HA LEU 48 5.050 4.480 -15.898 371 1HB LEU 48 2HB LEU 48 6.443 2.874 -13.850 372 2HB LEU 48 1HB LEU 48 6.192 4.551 -13.435 373 HG LEU 48 HG LEU 48 3.866 4.317 -13.374 374 1HD1 LEU 48 1HD1 LEU 48 3.079 3.363 -15.301 375 2HD1 LEU 48 2HD1 LEU 48 2.999 1.917 -14.295 376 3HD1 LEU 48 3HD1 LEU 48 4.379 2.173 -15.366 377 1HD2 LEU 48 1HD2 LEU 48 4.465 3.136 -11.472 378 2HD2 LEU 48 2HD2 LEU 48 5.330 1.900 -12.385 379 3HD2 LEU 48 3HD2 LEU 48 3.565 1.881 -12.327 380 H GLY 49 H GLY 49 8.496 3.907 -15.812 381 1HA GLY 49 2HA GLY 49 9.802 5.775 -16.881 382 2HA GLY 49 1HA GLY 49 8.981 6.832 -15.741 383 H GLN 50 H GLN 50 10.152 3.607 -14.880 384 HA GLN 50 HA GLN 50 12.611 4.605 -13.709 385 1HB GLN 50 2HB GLN 50 11.991 3.819 -11.388 386 2HB GLN 50 1HB GLN 50 11.183 5.294 -11.914 387 1HG GLN 50 2HG GLN 50 9.520 3.202 -12.788 388 2HG GLN 50 1HG GLN 50 10.024 2.740 -11.164 389 1HE2 GLN 50 1HE2 GLN 50 8.234 5.168 -13.019 390 2HE2 GLN 50 2HE2 GLN 50 7.556 5.948 -11.673 391 H ASN 51 H ASN 51 14.082 3.007 -13.293 392 HA ASN 51 HA ASN 51 13.183 0.238 -13.846 393 1HB ASN 51 2HB ASN 51 15.621 -0.072 -14.653 394 2HB ASN 51 1HB ASN 51 14.501 0.780 -15.713 395 1HD2 ASN 51 1HD2 ASN 51 14.744 3.140 -15.908 396 2HD2 ASN 51 2HD2 ASN 51 16.175 3.909 -15.414 397 HA PRO 52 HA PRO 52 15.128 0.193 -9.681 398 1HB PRO 52 2HB PRO 52 13.076 -1.109 -8.431 399 2HB PRO 52 1HB PRO 52 13.134 0.645 -8.649 400 1HG PRO 52 2HG PRO 52 11.464 -1.363 -10.024 401 2HG PRO 52 1HG PRO 52 11.171 0.363 -9.770 402 1HD PRO 52 2HD PRO 52 12.102 -0.879 -12.166 403 2HD PRO 52 1HD PRO 52 11.983 0.866 -11.840 404 H THR 53 H THR 53 14.680 -2.034 -8.079 405 HA THR 53 HA THR 53 15.747 -4.242 -9.735 406 HB THR 53 HB THR 53 17.058 -4.920 -7.922 407 HG1 THR 53 HG1 THR 53 16.371 -4.836 -5.930 408 1HG2 THR 53 1HG2 THR 53 18.132 -2.937 -6.970 409 2HG2 THR 53 2HG2 THR 53 16.764 -1.942 -7.469 410 3HG2 THR 53 3HG2 THR 53 17.799 -2.691 -8.685 411 HA PRO 54 HA PRO 54 12.335 -6.798 -8.583 412 1HB PRO 54 2HB PRO 54 13.452 -9.163 -7.766 413 2HB PRO 54 1HB PRO 54 13.371 -8.635 -9.454 414 1HG PRO 54 2HG PRO 54 15.690 -8.662 -7.594 415 2HG PRO 54 1HG PRO 54 15.651 -8.847 -9.355 416 1HD PRO 54 2HD PRO 54 16.371 -6.514 -7.988 417 2HD PRO 54 1HD PRO 54 15.906 -6.593 -9.703 418 H GLU 55 H GLU 55 14.806 -6.463 -6.121 419 HA GLU 55 HA GLU 55 13.114 -7.365 -3.943 420 1HB GLU 55 2HB GLU 55 15.769 -5.901 -3.889 421 2HB GLU 55 1HB GLU 55 14.966 -6.628 -2.497 422 1HG GLU 55 2HG GLU 55 14.982 -8.803 -3.979 423 2HG GLU 55 1HG GLU 55 16.279 -7.976 -4.841 424 H GLU 56 H GLU 56 14.101 -4.325 -5.443 425 HA GLU 56 HA GLU 56 13.009 -2.622 -3.407 426 1HB GLU 56 2HB GLU 56 14.762 -2.174 -5.400 427 2HB GLU 56 1HB GLU 56 13.291 -1.596 -6.182 428 1HG GLU 56 2HG GLU 56 14.122 0.316 -5.071 429 2HG GLU 56 1HG GLU 56 12.872 -0.290 -3.984 430 H LEU 57 H LEU 57 11.893 -3.648 -6.650 431 HA LEU 57 HA LEU 57 9.500 -2.177 -6.678 432 1HB LEU 57 2HB LEU 57 8.776 -3.598 -8.442 433 2HB LEU 57 1HB LEU 57 10.487 -3.318 -8.645 434 HG LEU 57 HG LEU 57 10.685 -5.639 -7.381 435 1HD1 LEU 57 1HD1 LEU 57 8.613 -6.939 -8.568 436 2HD1 LEU 57 2HD1 LEU 57 7.825 -5.419 -8.147 437 3HD1 LEU 57 3HD1 LEU 57 8.579 -6.399 -6.889 438 1HD2 LEU 57 1HD2 LEU 57 11.464 -5.169 -9.671 439 2HD2 LEU 57 2HD2 LEU 57 9.816 -5.341 -10.274 440 3HD2 LEU 57 3HD2 LEU 57 10.659 -6.738 -9.605 441 H GLN 58 H GLN 58 10.242 -5.376 -5.334 442 HA GLN 58 HA GLN 58 7.562 -6.095 -4.715 443 1HB GLN 58 2HB GLN 58 10.255 -7.039 -3.800 444 2HB GLN 58 1HB GLN 58 8.820 -7.547 -2.912 445 1HG GLN 58 2HG GLN 58 9.400 -7.990 -5.855 446 2HG GLN 58 1HG GLN 58 9.263 -9.218 -4.600 447 1HE2 GLN 58 1HE2 GLN 58 6.907 -8.418 -3.279 448 2HE2 GLN 58 2HE2 GLN 58 5.607 -8.506 -4.361 449 H GLU 59 H GLU 59 10.074 -4.357 -2.909 450 HA GLU 59 HA GLU 59 8.791 -4.244 -0.406 451 1HB GLU 59 2HB GLU 59 10.767 -2.412 -1.760 452 2HB GLU 59 1HB GLU 59 10.134 -2.063 -0.151 453 1HG GLU 59 2HG GLU 59 11.257 -4.788 -0.750 454 2HG GLU 59 1HG GLU 59 12.348 -3.453 -0.383 455 H MET 60 H MET 60 8.490 -2.178 -3.271 456 HA MET 60 HA MET 60 6.805 -0.212 -2.071 457 1HB MET 60 2HB MET 60 6.959 -0.986 -4.995 458 2HB MET 60 1HB MET 60 6.332 0.525 -4.339 459 1HG MET 60 2HG MET 60 8.623 0.917 -3.326 460 2HG MET 60 1HG MET 60 9.190 -0.466 -4.260 461 1HE MET 60 1HE MET 60 10.691 1.464 -6.931 462 2HE MET 60 2HE MET 60 10.180 -0.194 -6.622 463 3HE MET 60 3HE MET 60 10.933 0.742 -5.334 464 H ILE 61 H ILE 61 6.223 -3.163 -3.906 465 HA ILE 61 HA ILE 61 3.395 -2.952 -4.064 466 HB ILE 61 HB ILE 61 5.182 -5.398 -4.133 467 1HG1 ILE 61 2HG1 ILE 61 3.785 -4.176 -6.492 468 2HG1 ILE 61 1HG1 ILE 61 5.267 -3.425 -5.898 469 1HG2 ILE 61 1HG2 ILE 61 3.343 -6.671 -4.826 470 2HG2 ILE 61 2HG2 ILE 61 2.401 -5.249 -5.276 471 3HG2 ILE 61 3HG2 ILE 61 2.630 -5.654 -3.576 472 1HD1 ILE 61 1HD1 ILE 61 5.032 -5.713 -7.563 473 2HD1 ILE 61 2HD1 ILE 61 5.643 -6.273 -6.006 474 3HD1 ILE 61 3HD1 ILE 61 6.504 -5.015 -6.890 475 H ASP 62 H ASP 62 5.532 -4.693 -1.801 476 HA ASP 62 HA ASP 62 3.608 -5.927 -0.216 477 1HB ASP 62 2HB ASP 62 6.396 -4.967 0.285 478 2HB ASP 62 1HB ASP 62 5.424 -5.492 1.661 479 H GLU 63 H GLU 63 4.776 -2.591 -0.120 480 HA GLU 63 HA GLU 63 3.428 -1.910 2.325 481 1HB GLU 63 2HB GLU 63 4.730 -0.277 0.150 482 2HB GLU 63 1HB GLU 63 3.886 0.475 1.505 483 1HG GLU 63 2HG GLU 63 5.347 -0.672 3.098 484 2HG GLU 63 1HG GLU 63 6.153 -1.522 1.779 485 H VAL 64 H VAL 64 2.733 -1.259 -1.134 486 HA VAL 64 HA VAL 64 0.285 0.113 -0.588 487 HB VAL 64 HB VAL 64 1.572 0.467 -2.670 488 1HG1 VAL 64 1HG1 VAL 64 1.565 -1.188 -4.434 489 2HG1 VAL 64 2HG1 VAL 64 0.531 -2.259 -3.490 490 3HG1 VAL 64 3HG1 VAL 64 2.189 -1.951 -2.972 491 1HG2 VAL 64 1HG2 VAL 64 -0.980 0.805 -2.427 492 2HG2 VAL 64 2HG2 VAL 64 -1.134 -0.668 -3.384 493 3HG2 VAL 64 3HG2 VAL 64 -0.324 0.744 -4.063 494 H ASP 65 H ASP 65 1.069 -3.266 -1.318 495 HA ASP 65 HA ASP 65 -1.652 -4.092 -1.676 496 1HB ASP 65 2HB ASP 65 0.845 -5.276 -2.079 497 2HB ASP 65 1HB ASP 65 0.131 -6.204 -0.763 498 H GLU 66 H GLU 66 -3.044 -3.817 -0.069 499 HA GLU 66 HA GLU 66 -2.412 -3.754 2.685 500 1HB GLU 66 2HB GLU 66 -4.860 -3.893 3.046 501 2HB GLU 66 1HB GLU 66 -4.427 -2.686 1.839 502 1HG GLU 66 2HG GLU 66 -4.766 -5.117 0.428 503 2HG GLU 66 1HG GLU 66 -6.121 -5.009 1.548 504 H ASP 67 H ASP 67 -3.392 -6.371 0.561 505 HA ASP 67 HA ASP 67 -3.550 -8.241 2.824 506 1HB ASP 67 2HB ASP 67 -4.360 -9.851 1.026 507 2HB ASP 67 1HB ASP 67 -5.415 -8.481 1.368 508 H GLY 68 H GLY 68 -1.676 -7.565 -0.088 509 1HA GLY 68 2HA GLY 68 0.446 -8.251 -0.697 510 2HA GLY 68 1HA GLY 68 0.604 -9.002 0.889 511 H SER 69 H SER 69 -1.692 -9.533 -1.772 512 HA SER 69 HA SER 69 -1.531 -12.398 -1.500 513 1HB SER 69 2HB SER 69 -3.067 -12.359 -3.509 514 2HB SER 69 1HB SER 69 -3.660 -11.489 -2.096 515 HG SER 69 HG SER 69 -3.755 -9.819 -3.365 516 H GLY 70 H GLY 70 0.318 -10.106 -3.224 517 1HA GLY 70 2HA GLY 70 2.245 -10.616 -4.482 518 2HA GLY 70 1HA GLY 70 1.609 -12.235 -4.766 519 H THR 71 H THR 71 -0.706 -9.758 -5.174 520 HA THR 71 HA THR 71 -0.186 -9.431 -8.038 521 HB THR 71 HB THR 71 -2.421 -10.100 -8.679 522 HG1 THR 71 HG1 THR 71 -3.944 -10.587 -7.233 523 1HG2 THR 71 1HG2 THR 71 -2.360 -12.508 -8.100 524 2HG2 THR 71 2HG2 THR 71 -1.160 -12.165 -6.852 525 3HG2 THR 71 3HG2 THR 71 -0.765 -11.904 -8.552 526 H VAL 72 H VAL 72 -0.612 -7.393 -8.671 527 HA VAL 72 HA VAL 72 -1.785 -5.568 -6.707 528 HB VAL 72 HB VAL 72 -0.733 -4.784 -9.420 529 1HG1 VAL 72 1HG1 VAL 72 -0.487 -2.631 -8.437 530 2HG1 VAL 72 2HG1 VAL 72 -0.672 -3.270 -6.803 531 3HG1 VAL 72 3HG1 VAL 72 -2.062 -3.204 -7.888 532 1HG2 VAL 72 1HG2 VAL 72 1.048 -6.076 -8.371 533 2HG2 VAL 72 2HG2 VAL 72 0.810 -5.221 -6.844 534 3HG2 VAL 72 3HG2 VAL 72 1.443 -4.358 -8.247 535 H ASP 73 H ASP 73 -3.851 -5.060 -6.735 536 HA ASP 73 HA ASP 73 -5.527 -5.704 -9.028 537 1HB ASP 73 2HB ASP 73 -6.126 -4.499 -6.312 538 2HB ASP 73 1HB ASP 73 -7.352 -4.733 -7.558 539 H PHE 74 H PHE 74 -7.014 -3.997 -9.929 540 HA PHE 74 HA PHE 74 -5.546 -1.830 -10.916 541 1HB PHE 74 2HB PHE 74 -7.679 -2.782 -11.902 542 2HB PHE 74 1HB PHE 74 -8.558 -1.828 -10.707 543 HD1 PHE 74 HD1 PHE 74 -5.433 -1.070 -12.615 544 HD2 PHE 74 HD2 PHE 74 -9.540 -0.054 -11.885 545 HE1 PHE 74 HE1 PHE 74 -5.191 0.939 -14.044 546 HE2 PHE 74 HE2 PHE 74 -9.298 1.955 -13.315 547 HZ PHE 74 HZ PHE 74 -7.126 2.452 -14.394 548 H ASP 75 H ASP 75 -7.511 -2.098 -8.009 549 HA ASP 75 HA ASP 75 -7.606 0.717 -7.456 550 1HB ASP 75 2HB ASP 75 -8.098 -1.753 -5.794 551 2HB ASP 75 1HB ASP 75 -8.099 -0.144 -5.071 552 H GLU 76 H GLU 76 -5.526 -1.983 -6.418 553 HA GLU 76 HA GLU 76 -3.853 -0.416 -4.699 554 1HB GLU 76 2HB GLU 76 -3.212 -3.030 -6.094 555 2HB GLU 76 1HB GLU 76 -2.345 -2.340 -4.723 556 1HG GLU 76 2HG GLU 76 -4.379 -2.500 -3.336 557 2HG GLU 76 1HG GLU 76 -5.270 -3.158 -4.707 558 H PHE 77 H PHE 77 -3.938 -1.092 -8.119 559 HA PHE 77 HA PHE 77 -1.290 -0.365 -8.820 560 1HB PHE 77 2HB PHE 77 -3.354 -1.475 -10.159 561 2HB PHE 77 1HB PHE 77 -3.522 0.183 -10.712 562 HD1 PHE 77 HD1 PHE 77 -3.068 -0.719 -12.982 563 HD2 PHE 77 HD2 PHE 77 -0.115 -0.876 -9.852 564 HE1 PHE 77 HE1 PHE 77 -1.293 -1.113 -14.657 565 HE2 PHE 77 HE2 PHE 77 1.647 -1.259 -11.539 566 HZ PHE 77 HZ PHE 77 1.060 -1.385 -13.944 567 H LEU 78 H LEU 78 -4.358 1.450 -9.020 568 HA LEU 78 HA LEU 78 -3.119 3.931 -9.730 569 1HB LEU 78 2HB LEU 78 -5.861 3.097 -8.870 570 2HB LEU 78 1HB LEU 78 -5.447 4.802 -8.880 571 HG LEU 78 HG LEU 78 -5.203 4.841 -11.230 572 1HD1 LEU 78 1HD1 LEU 78 -3.818 2.766 -11.371 573 2HD1 LEU 78 2HD1 LEU 78 -5.050 2.856 -12.628 574 3HD1 LEU 78 3HD1 LEU 78 -5.293 1.812 -11.227 575 1HD2 LEU 78 1HD2 LEU 78 -7.551 4.609 -10.463 576 2HD2 LEU 78 2HD2 LEU 78 -7.420 2.858 -10.632 577 3HD2 LEU 78 3HD2 LEU 78 -7.313 3.892 -12.058 578 H VAL 79 H VAL 79 -3.981 2.386 -6.696 579 HA VAL 79 HA VAL 79 -3.843 4.647 -5.000 580 HB VAL 79 HB VAL 79 -3.707 1.687 -4.626 581 1HG1 VAL 79 1HG1 VAL 79 -2.857 3.681 -2.506 582 2HG1 VAL 79 2HG1 VAL 79 -1.851 2.417 -3.218 583 3HG1 VAL 79 3HG1 VAL 79 -3.228 1.983 -2.205 584 1HG2 VAL 79 1HG2 VAL 79 -5.586 2.106 -3.193 585 2HG2 VAL 79 2HG2 VAL 79 -5.808 3.114 -4.622 586 3HG2 VAL 79 3HG2 VAL 79 -5.224 3.831 -3.121 587 H MET 80 H MET 80 -1.397 2.214 -5.900 588 HA MET 80 HA MET 80 0.790 3.024 -4.459 589 1HB MET 80 2HB MET 80 0.375 1.332 -6.620 590 2HB MET 80 1HB MET 80 1.525 2.515 -7.241 591 1HG MET 80 2HG MET 80 2.812 2.137 -5.031 592 2HG MET 80 1HG MET 80 1.814 0.695 -4.852 593 1HE MET 80 1HE MET 80 1.270 -0.737 -6.656 594 2HE MET 80 2HE MET 80 2.649 -1.762 -6.265 595 3HE MET 80 3HE MET 80 2.345 -1.308 -7.940 596 H MET 81 H MET 81 -0.537 4.563 -7.364 597 HA MET 81 HA MET 81 1.629 6.397 -7.744 598 1HB MET 81 2HB MET 81 -0.014 5.775 -9.522 599 2HB MET 81 1HB MET 81 -1.243 6.690 -8.652 600 1HG MET 81 2HG MET 81 0.361 8.686 -8.781 601 2HG MET 81 1HG MET 81 1.285 7.737 -9.944 602 1HE MET 81 1HE MET 81 -2.051 8.825 -8.804 603 2HE MET 81 2HE MET 81 -2.826 7.564 -9.761 604 3HE MET 81 3HE MET 81 -3.001 9.251 -10.234 605 H VAL 82 H VAL 82 -1.705 6.936 -6.539 606 HA VAL 82 HA VAL 82 -1.258 9.582 -5.663 607 HB VAL 82 HB VAL 82 -3.291 9.281 -4.270 608 1HG1 VAL 82 1HG1 VAL 82 -3.370 9.814 -6.723 609 2HG1 VAL 82 2HG1 VAL 82 -4.805 8.974 -6.134 610 3HG1 VAL 82 3HG1 VAL 82 -3.577 8.091 -7.040 611 1HG2 VAL 82 1HG2 VAL 82 -3.345 6.462 -5.367 612 2HG2 VAL 82 2HG2 VAL 82 -4.444 7.180 -4.190 613 3HG2 VAL 82 3HG2 VAL 82 -2.770 6.847 -3.744 614 H ARG 83 H ARG 83 -0.570 6.513 -4.153 615 HA ARG 83 HA ARG 83 -0.419 7.129 -1.462 616 1HB ARG 83 2HB ARG 83 1.127 5.256 -3.217 617 2HB ARG 83 1HB ARG 83 1.628 5.480 -1.541 618 1HG ARG 83 2HG ARG 83 -1.086 5.176 -1.264 619 2HG ARG 83 1HG ARG 83 -0.749 4.111 -2.629 620 1HD ARG 83 2HD ARG 83 0.624 2.721 -1.386 621 2HD ARG 83 1HD ARG 83 1.069 3.993 -0.255 622 HE ARG 83 HE ARG 83 -1.700 3.382 0.000 623 1HH1 ARG 83 2HH1 ARG 83 1.483 2.126 0.692 624 2HH1 ARG 83 1HH1 ARG 83 0.959 1.203 2.059 625 1HH2 ARG 83 1HH2 ARG 83 -2.365 2.165 1.796 626 2HH2 ARG 83 2HH2 ARG 83 -1.212 1.225 2.684 627 H CYS 84 H CYS 84 1.801 8.051 -4.040 628 HA CYS 84 HA CYS 84 4.016 8.804 -2.446 629 1HB CYS 84 2HB CYS 84 3.065 9.736 -5.159 630 2HB CYS 84 1HB CYS 84 4.539 10.350 -4.410 631 HG CYS 84 HG CYS 84 5.648 8.089 -4.669 632 H MET 85 H MET 85 1.175 10.606 -3.571 633 HA MET 85 HA MET 85 1.992 13.012 -2.128 634 1HB MET 85 2HB MET 85 0.753 12.840 -4.439 635 2HB MET 85 1HB MET 85 -0.684 12.675 -3.430 636 1HG MET 85 2HG MET 85 -0.270 14.787 -2.351 637 2HG MET 85 1HG MET 85 1.326 14.914 -3.092 638 1HE MET 85 1HE MET 85 -0.308 17.580 -3.691 639 2HE MET 85 2HE MET 85 -1.416 16.532 -2.807 640 3HE MET 85 3HE MET 85 -1.916 17.236 -4.343 641 H LYS 86 H LYS 86 -0.195 10.314 -1.797 642 HA LYS 86 HA LYS 86 -1.765 9.684 -0.292 643 1HB LYS 86 2HB LYS 86 -1.108 10.003 2.114 644 2HB LYS 86 1HB LYS 86 0.105 9.234 1.101 645 1HG LYS 86 2HG LYS 86 1.221 11.463 0.841 646 2HG LYS 86 1HG LYS 86 0.067 12.129 1.999 647 1HD LYS 86 2HD LYS 86 1.022 11.040 3.780 648 2HD LYS 86 1HD LYS 86 1.496 9.647 2.805 649 1HE LYS 86 2HE LYS 86 2.820 12.315 2.368 650 2HE LYS 86 1HE LYS 86 3.356 11.265 3.679 651 1HZ LYS 86 1HZ LYS 86 4.619 10.858 1.666 652 2HZ LYS 86 2HZ LYS 86 3.194 10.514 0.807 653 3HZ LYS 86 3HZ LYS 86 3.698 9.492 2.068 654 H ASP 87 H ASP 87 -3.040 10.448 1.780 655 HA ASP 87 HA ASP 87 -4.257 13.027 1.020 656 1HB ASP 87 2HB ASP 87 -5.363 10.477 1.622 657 2HB ASP 87 1HB ASP 87 -5.841 11.577 2.917 658 H ASP 88 H ASP 88 -3.529 11.088 3.937 659 HA ASP 88 HA ASP 88 -2.459 13.380 5.317 660 1HB ASP 88 2HB ASP 88 -5.121 13.376 5.481 661 2HB ASP 88 1HB ASP 88 -4.796 12.204 6.757 662 H SER 89 HN SER 89 -0.648 12.197 5.737 663 HA SER 89 HA SER 89 -0.903 10.126 7.793 664 1HB SER 89 2HB SER 89 -0.755 9.179 5.313 665 2HB SER 89 1HB SER 89 0.960 9.507 5.539 666 HG SER 89 HG SER 89 -0.501 7.489 6.492 Start of MODEL 24 1 1H MET 1 1H MET 1 -8.658 1.188 6.628 2 2H MET 1 2H MET 1 -8.017 2.076 7.927 3 3H MET 1 3H MET 1 -8.384 0.430 8.121 4 HA MET 1 HA MET 1 -5.987 0.822 7.874 5 1HB MET 1 2HB MET 1 -7.250 -1.274 7.059 6 2HB MET 1 1HB MET 1 -7.068 -0.605 5.438 7 1HG MET 1 2HG MET 1 -4.696 -0.708 5.544 8 2HG MET 1 1HG MET 1 -4.705 -0.934 7.294 9 1HE MET 1 1HE MET 1 -3.179 -4.133 6.370 10 2HE MET 1 2HE MET 1 -2.940 -2.388 6.355 11 3HE MET 1 3HE MET 1 -3.260 -3.238 4.845 12 H ASN 2 H ASN 2 -6.121 3.245 7.358 13 HA ASN 2 HA ASN 2 -5.434 5.031 6.100 14 1HB ASN 2 2HB ASN 2 -4.014 2.733 4.804 15 2HB ASN 2 1HB ASN 2 -3.963 4.315 4.030 16 1HD2 ASN 2 1HD2 ASN 2 -3.485 6.182 5.795 17 2HD2 ASN 2 2HD2 ASN 2 -2.218 5.820 6.865 18 H ASP 3 H ASP 3 -7.476 5.700 5.452 19 HA ASP 3 HA ASP 3 -8.501 4.713 2.877 20 1HB ASP 3 2HB ASP 3 -9.739 6.370 5.074 21 2HB ASP 3 1HB ASP 3 -10.508 6.149 3.501 22 H ILE 4 H ILE 4 -6.737 7.366 4.164 23 HA ILE 4 HA ILE 4 -7.630 9.468 2.507 24 HB ILE 4 HB ILE 4 -5.444 10.531 2.958 25 1HG1 ILE 4 2HG1 ILE 4 -4.147 8.975 4.781 26 2HG1 ILE 4 1HG1 ILE 4 -4.754 7.734 3.684 27 1HG2 ILE 4 1HG2 ILE 4 -7.408 10.360 4.641 28 2HG2 ILE 4 2HG2 ILE 4 -5.834 10.863 5.258 29 3HG2 ILE 4 3HG2 ILE 4 -6.386 9.206 5.497 30 1HD1 ILE 4 1HD1 ILE 4 -3.418 10.184 2.565 31 2HD1 ILE 4 2HD1 ILE 4 -3.556 8.573 1.860 32 3HD1 ILE 4 3HD1 ILE 4 -2.435 8.861 3.192 33 H TYR 5 H TYR 5 -5.458 6.788 1.885 34 HA TYR 5 HA TYR 5 -4.265 7.815 -0.500 35 1HB TYR 5 2HB TYR 5 -4.649 4.970 0.470 36 2HB TYR 5 1HB TYR 5 -3.725 5.406 -0.967 37 HD1 TYR 5 HD1 TYR 5 -1.571 6.538 -0.794 38 HD2 TYR 5 HD2 TYR 5 -3.864 5.594 2.713 39 HE1 TYR 5 HE1 TYR 5 0.403 7.016 0.629 40 HE2 TYR 5 HE2 TYR 5 -1.892 6.072 4.132 41 HH TYR 5 HH TYR 5 0.574 6.126 3.900 42 H LYS 6 H LYS 6 -7.214 6.036 0.220 43 HA LYS 6 HA LYS 6 -7.880 5.394 -2.491 44 1HB LYS 6 2HB LYS 6 -9.081 5.038 0.144 45 2HB LYS 6 1HB LYS 6 -10.277 5.432 -1.092 46 1HG LYS 6 2HG LYS 6 -10.128 3.099 -1.271 47 2HG LYS 6 1HG LYS 6 -9.014 3.645 -2.526 48 1HD LYS 6 2HD LYS 6 -7.429 3.571 -0.239 49 2HD LYS 6 1HD LYS 6 -8.458 2.149 -0.073 50 1HE LYS 6 2HE LYS 6 -6.968 2.805 -2.626 51 2HE LYS 6 1HE LYS 6 -6.292 1.780 -1.362 52 1HZ LYS 6 1HZ LYS 6 -8.726 1.304 -2.984 53 2HZ LYS 6 2HZ LYS 6 -8.387 0.428 -1.567 54 3HZ LYS 6 3HZ LYS 6 -7.329 0.348 -2.893 55 H ALA 7 H ALA 7 -8.174 8.266 -0.579 56 HA ALA 7 HA ALA 7 -10.415 9.462 -1.832 57 1HB ALA 7 1HB ALA 7 -9.221 10.217 0.304 58 2HB ALA 7 2HB ALA 7 -9.736 11.486 -0.807 59 3HB ALA 7 3HB ALA 7 -8.044 10.989 -0.760 60 H ALA 8 H ALA 8 -7.007 9.249 -2.737 61 HA ALA 8 HA ALA 8 -7.135 11.246 -4.801 62 1HB ALA 8 1HB ALA 8 -4.938 10.348 -5.493 63 2HB ALA 8 2HB ALA 8 -5.132 9.020 -4.350 64 3HB ALA 8 3HB ALA 8 -4.994 10.677 -3.761 65 H VAL 9 H VAL 9 -7.227 7.685 -4.757 66 HA VAL 9 HA VAL 9 -7.456 7.388 -7.580 67 HB VAL 9 HB VAL 9 -6.736 5.591 -5.967 68 1HG1 VAL 9 1HG1 VAL 9 -8.423 5.836 -4.254 69 2HG1 VAL 9 2HG1 VAL 9 -8.593 4.234 -4.967 70 3HG1 VAL 9 3HG1 VAL 9 -9.714 5.521 -5.411 71 1HG2 VAL 9 1HG2 VAL 9 -7.398 3.929 -7.441 72 2HG2 VAL 9 2HG2 VAL 9 -7.779 5.353 -8.409 73 3HG2 VAL 9 3HG2 VAL 9 -9.058 4.520 -7.526 74 H GLU 10 H GLU 10 -9.721 8.227 -5.098 75 HA GLU 10 HA GLU 10 -12.080 7.497 -6.613 76 1HB GLU 10 2HB GLU 10 -11.575 8.854 -3.984 77 2HB GLU 10 1HB GLU 10 -13.164 8.974 -4.742 78 1HG GLU 10 2HG GLU 10 -13.376 6.557 -4.814 79 2HG GLU 10 1HG GLU 10 -11.726 6.355 -4.226 80 H GLN 11 H GLN 11 -9.947 10.234 -6.436 81 HA GLN 11 HA GLN 11 -11.881 11.801 -8.039 82 1HB GLN 11 2HB GLN 11 -11.132 13.841 -7.007 83 2HB GLN 11 1HB GLN 11 -11.574 12.716 -5.725 84 1HG GLN 11 2HG GLN 11 -9.057 12.046 -5.748 85 2HG GLN 11 1HG GLN 11 -8.821 13.560 -6.619 86 1HE2 GLN 11 1HE2 GLN 11 -7.908 12.910 -3.848 87 2HE2 GLN 11 2HE2 GLN 11 -8.638 14.064 -2.841 88 H LEU 12 H LEU 12 -9.607 9.984 -8.839 89 HA LEU 12 HA LEU 12 -7.573 11.764 -9.885 90 1HB LEU 12 2HB LEU 12 -6.917 9.635 -11.186 91 2HB LEU 12 1HB LEU 12 -6.655 9.699 -9.462 92 HG LEU 12 HG LEU 12 -8.483 8.223 -9.047 93 1HD1 LEU 12 1HD1 LEU 12 -9.173 8.739 -11.942 94 2HD1 LEU 12 2HD1 LEU 12 -10.194 8.948 -10.518 95 3HD1 LEU 12 3HD1 LEU 12 -9.790 7.327 -11.082 96 1HD2 LEU 12 1HD2 LEU 12 -6.792 6.778 -9.593 97 2HD2 LEU 12 2HD2 LEU 12 -6.514 7.534 -11.162 98 3HD2 LEU 12 3HD2 LEU 12 -7.854 6.405 -10.951 99 H THR 13 H THR 13 -7.017 11.229 -12.367 100 HA THR 13 HA THR 13 -9.424 12.059 -13.861 101 HB THR 13 HB THR 13 -7.353 12.341 -15.625 102 HG1 THR 13 HG1 THR 13 -5.609 12.195 -14.487 103 1HG2 THR 13 1HG2 THR 13 -8.036 14.479 -15.560 104 2HG2 THR 13 2HG2 THR 13 -7.610 14.654 -13.857 105 3HG2 THR 13 3HG2 THR 13 -9.167 13.959 -14.311 106 H ASP 14 H ASP 14 -9.473 11.329 -16.178 107 HA ASP 14 HA ASP 14 -9.544 8.474 -16.288 108 1HB ASP 14 2HB ASP 14 -10.020 10.684 -18.261 109 2HB ASP 14 1HB ASP 14 -9.809 9.037 -18.854 110 H GLU 15 H GLU 15 -7.288 10.966 -17.358 111 HA GLU 15 HA GLU 15 -5.615 9.241 -18.915 112 1HB GLU 15 2HB GLU 15 -5.174 11.951 -17.656 113 2HB GLU 15 1HB GLU 15 -3.912 11.114 -18.560 114 1HG GLU 15 2HG GLU 15 -6.661 11.533 -19.736 115 2HG GLU 15 1HG GLU 15 -5.415 12.775 -19.862 116 H GLN 16 H GLN 16 -5.780 10.135 -15.515 117 HA GLN 16 HA GLN 16 -3.237 9.139 -14.723 118 1HB GLN 16 2HB GLN 16 -4.880 10.661 -13.410 119 2HB GLN 16 1HB GLN 16 -5.646 9.151 -12.918 120 1HG GLN 16 2HG GLN 16 -3.242 8.393 -12.280 121 2HG GLN 16 1HG GLN 16 -2.847 10.111 -12.352 122 1HE2 GLN 16 1HE2 GLN 16 -4.546 11.539 -11.064 123 2HE2 GLN 16 2HE2 GLN 16 -5.010 10.923 -9.552 124 H LYS 17 H LYS 17 -6.510 7.693 -14.604 125 HA LYS 17 HA LYS 17 -5.519 5.171 -13.657 126 1HB LYS 17 2HB LYS 17 -7.830 4.330 -14.186 127 2HB LYS 17 1HB LYS 17 -7.787 5.704 -13.089 128 1HG LYS 17 2HG LYS 17 -9.469 6.342 -14.566 129 2HG LYS 17 1HG LYS 17 -8.065 7.116 -15.293 130 1HD LYS 17 2HD LYS 17 -8.161 5.810 -17.133 131 2HD LYS 17 1HD LYS 17 -8.429 4.349 -16.186 132 1HE LYS 17 2HE LYS 17 -10.697 4.479 -16.390 133 2HE LYS 17 1HE LYS 17 -10.708 6.236 -16.236 134 1HZ LYS 17 1HZ LYS 17 -9.986 6.442 -18.502 135 2HZ LYS 17 2HZ LYS 17 -11.368 5.456 -18.457 136 3HZ LYS 17 3HZ LYS 17 -9.833 4.760 -18.662 137 H ASN 18 H ASN 18 -6.120 6.583 -16.817 138 HA ASN 18 HA ASN 18 -6.076 4.167 -18.327 139 1HB ASN 18 2HB ASN 18 -5.695 7.067 -18.964 140 2HB ASN 18 1HB ASN 18 -5.185 5.871 -20.153 141 1HD2 ASN 18 1HD2 ASN 18 -7.517 7.771 -20.299 142 2HD2 ASN 18 2HD2 ASN 18 -8.882 6.786 -20.515 143 H GLU 19 H GLU 19 -3.582 6.306 -17.067 144 HA GLU 19 HA GLU 19 -1.363 5.431 -18.534 145 1HB GLU 19 2HB GLU 19 -1.371 7.368 -16.951 146 2HB GLU 19 1HB GLU 19 -1.394 6.224 -15.609 147 1HG GLU 19 2HG GLU 19 0.732 5.257 -16.378 148 2HG GLU 19 1HG GLU 19 0.754 6.368 -17.747 149 H PHE 20 H PHE 20 -2.700 4.197 -15.463 150 HA PHE 20 HA PHE 20 -0.818 1.990 -15.372 151 1HB PHE 20 2HB PHE 20 -3.130 2.878 -13.673 152 2HB PHE 20 1HB PHE 20 -2.440 1.269 -13.470 153 HD1 PHE 20 HD1 PHE 20 -1.859 4.880 -13.104 154 HD2 PHE 20 HD2 PHE 20 -0.123 0.970 -12.712 155 HE1 PHE 20 HE1 PHE 20 -0.011 5.835 -11.758 156 HE2 PHE 20 HE2 PHE 20 1.717 1.917 -11.357 157 HZ PHE 20 HZ PHE 20 1.779 4.354 -10.882 158 H LYS 21 H LYS 21 -4.303 2.402 -15.973 159 HA LYS 21 HA LYS 21 -5.081 -0.247 -16.243 160 1HB LYS 21 2HB LYS 21 -6.635 1.679 -16.262 161 2HB LYS 21 1HB LYS 21 -6.086 2.087 -17.886 162 1HG LYS 21 2HG LYS 21 -6.844 -0.725 -17.671 163 2HG LYS 21 1HG LYS 21 -8.174 0.349 -17.240 164 1HD LYS 21 2HD LYS 21 -6.586 1.051 -19.667 165 2HD LYS 21 1HD LYS 21 -7.676 -0.331 -19.785 166 1HE LYS 21 2HE LYS 21 -9.581 0.972 -19.338 167 2HE LYS 21 1HE LYS 21 -8.638 2.270 -18.607 168 1HZ LYS 21 1HZ LYS 21 -7.724 2.799 -20.765 169 2HZ LYS 21 2HZ LYS 21 -9.421 2.849 -20.827 170 3HZ LYS 21 3HZ LYS 21 -8.582 1.524 -21.482 171 H ALA 22 H ALA 22 -3.363 1.791 -18.566 172 HA ALA 22 HA ALA 22 -3.690 0.209 -20.875 173 1HB ALA 22 1HB ALA 22 -1.597 1.268 -21.668 174 2HB ALA 22 2HB ALA 22 -1.310 1.890 -20.042 175 3HB ALA 22 3HB ALA 22 -2.702 2.453 -20.968 176 H ALA 23 H ALA 23 -1.014 0.249 -18.517 177 HA ALA 23 HA ALA 23 0.299 -2.063 -19.541 178 1HB ALA 23 1HB ALA 23 1.576 -0.528 -18.193 179 2HB ALA 23 2HB ALA 23 1.464 -2.044 -17.298 180 3HB ALA 23 3HB ALA 23 0.441 -0.679 -16.849 181 H PHE 24 H PHE 24 -2.129 -1.490 -17.055 182 HA PHE 24 HA PHE 24 -2.172 -4.014 -15.824 183 1HB PHE 24 2HB PHE 24 -3.407 -1.839 -15.162 184 2HB PHE 24 1HB PHE 24 -4.655 -2.367 -16.288 185 HD1 PHE 24 HD1 PHE 24 -5.624 -4.743 -15.977 186 HD2 PHE 24 HD2 PHE 24 -3.317 -2.713 -12.982 187 HE1 PHE 24 HE1 PHE 24 -6.525 -6.271 -14.247 188 HE2 PHE 24 HE2 PHE 24 -4.216 -4.238 -11.255 189 HZ PHE 24 HZ PHE 24 -5.823 -6.012 -11.891 190 H ASP 25 H ASP 25 -3.949 -2.784 -18.654 191 HA ASP 25 HA ASP 25 -5.560 -5.056 -19.096 192 1HB ASP 25 2HB ASP 25 -5.567 -2.634 -20.177 193 2HB ASP 25 1HB ASP 25 -4.618 -3.442 -21.423 194 H ILE 26 H ILE 26 -2.404 -4.160 -20.519 195 HA ILE 26 HA ILE 26 -2.241 -6.472 -22.176 196 HB ILE 26 HB ILE 26 0.168 -5.884 -22.424 197 1HG1 ILE 26 2HG1 ILE 26 -0.533 -3.626 -20.517 198 2HG1 ILE 26 1HG1 ILE 26 0.497 -4.998 -20.114 199 1HG2 ILE 26 1HG2 ILE 26 -1.620 -4.854 -23.813 200 2HG2 ILE 26 2HG2 ILE 26 -0.257 -3.763 -23.565 201 3HG2 ILE 26 3HG2 ILE 26 -1.743 -3.540 -22.643 202 1HD1 ILE 26 1HD1 ILE 26 1.344 -3.730 -22.593 203 2HD1 ILE 26 2HD1 ILE 26 2.275 -4.064 -21.132 204 3HD1 ILE 26 3HD1 ILE 26 1.324 -2.584 -21.252 205 H PHE 27 H PHE 27 -0.995 -5.778 -18.910 206 HA PHE 27 HA PHE 27 0.446 -8.257 -18.713 207 1HB PHE 27 2HB PHE 27 -0.429 -6.272 -16.606 208 2HB PHE 27 1HB PHE 27 0.522 -7.713 -16.251 209 HD1 PHE 27 HD1 PHE 27 2.399 -7.938 -18.445 210 HD2 PHE 27 HD2 PHE 27 0.966 -4.401 -16.472 211 HE1 PHE 27 HE1 PHE 27 4.446 -6.726 -19.131 212 HE2 PHE 27 HE2 PHE 27 3.015 -3.191 -17.166 213 HZ PHE 27 HZ PHE 27 4.754 -4.353 -18.492 214 H ILE 28 H ILE 28 -2.830 -7.220 -17.937 215 HA ILE 28 HA ILE 28 -3.410 -9.873 -16.791 216 HB ILE 28 HB ILE 28 -4.012 -7.500 -15.741 217 1HG1 ILE 28 2HG1 ILE 28 -4.426 -9.801 -14.829 218 2HG1 ILE 28 1HG1 ILE 28 -5.643 -8.606 -14.380 219 1HG2 ILE 28 1HG2 ILE 28 -5.467 -7.063 -17.880 220 2HG2 ILE 28 2HG2 ILE 28 -6.063 -6.581 -16.292 221 3HG2 ILE 28 3HG2 ILE 28 -6.652 -8.062 -17.040 222 1HD1 ILE 28 1HD1 ILE 28 -7.057 -9.434 -16.286 223 2HD1 ILE 28 2HD1 ILE 28 -6.776 -10.648 -15.038 224 3HD1 ILE 28 3HD1 ILE 28 -5.870 -10.710 -16.549 225 H GLN 29 H GLN 29 -2.922 -9.610 -19.557 226 HA GLN 29 HA GLN 29 -5.406 -9.542 -21.023 227 1HB GLN 29 2HB GLN 29 -3.186 -8.905 -22.009 228 2HB GLN 29 1HB GLN 29 -2.718 -10.603 -21.926 229 1HG GLN 29 2HG GLN 29 -4.525 -11.236 -23.410 230 2HG GLN 29 1HG GLN 29 -5.174 -9.595 -23.388 231 1HE2 GLN 29 1HE2 GLN 29 -3.386 -7.867 -24.083 232 2HE2 GLN 29 2HE2 GLN 29 -2.454 -8.304 -25.433 233 H ASP 30 H ASP 30 -3.036 -12.097 -20.233 234 HA ASP 30 HA ASP 30 -4.939 -14.165 -21.027 235 1HB ASP 30 2HB ASP 30 -2.052 -14.238 -20.146 236 2HB ASP 30 1HB ASP 30 -3.006 -15.699 -20.397 237 H ALA 31 H ALA 31 -4.514 -12.395 -18.239 238 HA ALA 31 HA ALA 31 -4.895 -14.631 -16.389 239 1HB ALA 31 1HB ALA 31 -5.161 -12.518 -14.783 240 2HB ALA 31 2HB ALA 31 -4.279 -11.730 -16.092 241 3HB ALA 31 3HB ALA 31 -3.577 -13.123 -15.270 242 H GLU 32 H GLU 32 -6.691 -14.855 -15.076 243 HA GLU 32 HA GLU 32 -9.127 -13.403 -15.928 244 1HB GLU 32 2HB GLU 32 -8.768 -16.369 -15.456 245 2HB GLU 32 1HB GLU 32 -10.351 -15.591 -15.448 246 1HG GLU 32 2HG GLU 32 -10.344 -15.236 -17.708 247 2HG GLU 32 1HG GLU 32 -8.606 -14.940 -17.760 248 H ASP 33 H ASP 33 -7.611 -12.535 -13.842 249 HA ASP 33 HA ASP 33 -9.218 -13.306 -11.475 250 1HB ASP 33 2HB ASP 33 -6.989 -12.380 -10.288 251 2HB ASP 33 1HB ASP 33 -7.212 -14.077 -10.702 252 H GLY 34 H GLY 34 -7.291 -10.722 -12.995 253 1HA GLY 34 2HA GLY 34 -8.239 -8.508 -13.273 254 2HA GLY 34 1HA GLY 34 -9.089 -8.734 -11.747 255 H CYS 35 H CYS 35 -5.704 -9.546 -12.392 256 HA CYS 35 HA CYS 35 -4.661 -7.188 -11.090 257 1HB CYS 35 2HB CYS 35 -3.494 -8.625 -9.311 258 2HB CYS 35 1HB CYS 35 -5.195 -8.252 -9.056 259 HG CYS 35 HG CYS 35 -5.808 -10.664 -9.829 260 H ILE 36 H ILE 36 -2.431 -6.964 -11.347 261 HA ILE 36 HA ILE 36 -1.279 -8.684 -13.415 262 HB ILE 36 HB ILE 36 0.432 -7.014 -13.668 263 1HG1 ILE 36 2HG1 ILE 36 -0.162 -4.938 -11.907 264 2HG1 ILE 36 1HG1 ILE 36 -0.299 -6.380 -10.901 265 1HG2 ILE 36 1HG2 ILE 36 -1.794 -6.481 -14.623 266 2HG2 ILE 36 2HG2 ILE 36 -0.915 -5.025 -14.159 267 3HG2 ILE 36 3HG2 ILE 36 -2.217 -5.633 -13.136 268 1HD1 ILE 36 1HD1 ILE 36 2.061 -5.157 -11.365 269 2HD1 ILE 36 2HD1 ILE 36 2.042 -6.266 -12.736 270 3HD1 ILE 36 3HD1 ILE 36 1.931 -6.896 -11.090 271 H SER 37 H SER 37 1.284 -8.905 -13.063 272 HA SER 37 HA SER 37 1.537 -10.517 -10.633 273 1HB SER 37 2HB SER 37 2.359 -10.985 -13.193 274 2HB SER 37 1HB SER 37 3.836 -10.352 -12.476 275 HG SER 37 HG SER 37 2.602 -12.739 -12.102 276 H THR 38 H THR 38 2.193 -9.480 -8.855 277 HA THR 38 HA THR 38 3.506 -7.012 -8.698 278 HB THR 38 HB THR 38 4.123 -7.659 -6.380 279 HG1 THR 38 HG1 THR 38 4.458 -9.705 -6.133 280 1HG2 THR 38 1HG2 THR 38 1.975 -6.804 -6.408 281 2HG2 THR 38 2HG2 THR 38 1.673 -8.415 -5.760 282 3HG2 THR 38 3HG2 THR 38 1.371 -8.079 -7.464 283 H LYS 39 H LYS 39 4.810 -10.300 -8.818 284 HA LYS 39 HA LYS 39 7.529 -9.639 -8.381 285 1HB LYS 39 2HB LYS 39 8.019 -11.825 -9.512 286 2HB LYS 39 1HB LYS 39 6.855 -11.945 -8.195 287 1HG LYS 39 2HG LYS 39 5.416 -11.380 -10.609 288 2HG LYS 39 1HG LYS 39 6.511 -12.725 -10.921 289 1HD LYS 39 2HD LYS 39 4.824 -12.672 -8.423 290 2HD LYS 39 1HD LYS 39 4.153 -13.255 -9.947 291 1HE LYS 39 2HE LYS 39 6.821 -14.319 -9.135 292 2HE LYS 39 1HE LYS 39 5.415 -14.893 -8.241 293 1HZ LYS 39 1HZ LYS 39 4.380 -15.511 -10.338 294 2HZ LYS 39 2HZ LYS 39 5.873 -16.299 -10.145 295 3HZ LYS 39 3HZ LYS 39 5.741 -14.968 -11.193 296 H GLU 40 H GLU 40 5.485 -9.426 -11.211 297 HA GLU 40 HA GLU 40 7.813 -8.723 -12.887 298 1HB GLU 40 2HB GLU 40 4.972 -9.384 -13.709 299 2HB GLU 40 1HB GLU 40 6.309 -9.035 -14.804 300 1HG GLU 40 2HG GLU 40 7.543 -10.986 -13.925 301 2HG GLU 40 1HG GLU 40 6.202 -11.340 -12.835 302 H LEU 41 H LEU 41 6.417 -6.990 -10.814 303 HA LEU 41 HA LEU 41 4.864 -5.008 -12.096 304 1HB LEU 41 2HB LEU 41 5.675 -5.468 -9.514 305 2HB LEU 41 1HB LEU 41 6.581 -4.034 -9.935 306 HG LEU 41 HG LEU 41 3.640 -4.095 -10.493 307 1HD1 LEU 41 1HD1 LEU 41 3.770 -4.905 -8.202 308 2HD1 LEU 41 2HD1 LEU 41 3.275 -3.213 -8.177 309 3HD1 LEU 41 3HD1 LEU 41 4.938 -3.651 -7.788 310 1HD2 LEU 41 1HD2 LEU 41 5.428 -1.892 -9.436 311 2HD2 LEU 41 2HD2 LEU 41 3.853 -1.727 -10.214 312 3HD2 LEU 41 3HD2 LEU 41 5.255 -2.227 -11.159 313 H GLY 42 H GLY 42 8.320 -5.560 -11.984 314 1HA GLY 42 2HA GLY 42 9.318 -3.017 -12.584 315 2HA GLY 42 1HA GLY 42 10.067 -4.532 -13.079 316 H LYS 43 H LYS 43 7.796 -5.439 -14.652 317 HA LYS 43 HA LYS 43 8.432 -4.266 -17.167 318 1HB LYS 43 2HB LYS 43 6.045 -5.996 -16.459 319 2HB LYS 43 1HB LYS 43 6.672 -5.691 -18.078 320 1HG LYS 43 2HG LYS 43 8.895 -6.656 -17.239 321 2HG LYS 43 1HG LYS 43 7.993 -7.226 -15.834 322 1HD LYS 43 2HD LYS 43 6.526 -8.549 -17.225 323 2HD LYS 43 1HD LYS 43 7.213 -7.854 -18.693 324 1HE LYS 43 2HE LYS 43 8.946 -9.332 -16.714 325 2HE LYS 43 1HE LYS 43 8.053 -10.194 -17.966 326 1HZ LYS 43 1HZ LYS 43 10.228 -9.689 -18.776 327 2HZ LYS 43 2HZ LYS 43 10.063 -8.047 -18.374 328 3HZ LYS 43 3HZ LYS 43 9.118 -8.720 -19.615 329 H VAL 44 H VAL 44 6.007 -3.570 -14.753 330 HA VAL 44 HA VAL 44 4.477 -1.885 -16.594 331 HB VAL 44 HB VAL 44 2.715 -2.043 -15.163 332 1HG1 VAL 44 1HG1 VAL 44 4.028 -4.158 -13.548 333 2HG1 VAL 44 2HG1 VAL 44 4.041 -4.395 -15.293 334 3HG1 VAL 44 3HG1 VAL 44 2.509 -4.201 -14.442 335 1HG2 VAL 44 1HG2 VAL 44 3.148 -2.263 -12.586 336 2HG2 VAL 44 2HG2 VAL 44 3.358 -0.695 -13.362 337 3HG2 VAL 44 3HG2 VAL 44 4.763 -1.690 -12.988 338 H MET 45 H MET 45 6.596 -1.642 -13.775 339 HA MET 45 HA MET 45 6.302 1.108 -13.247 340 1HB MET 45 2HB MET 45 8.576 -0.823 -12.792 341 2HB MET 45 1HB MET 45 8.693 0.875 -12.332 342 1HG MET 45 2HG MET 45 6.178 -0.064 -11.394 343 2HG MET 45 1HG MET 45 7.385 -1.264 -10.932 344 1HE MET 45 1HE MET 45 6.580 -0.619 -8.472 345 2HE MET 45 2HE MET 45 7.890 0.176 -7.606 346 3HE MET 45 3HE MET 45 8.248 -1.165 -8.693 347 H ARG 46 H ARG 46 8.494 -0.655 -15.423 348 HA ARG 46 HA ARG 46 10.028 1.552 -16.279 349 1HB ARG 46 2HB ARG 46 10.560 0.178 -18.281 350 2HB ARG 46 1HB ARG 46 10.755 -0.710 -16.771 351 1HG ARG 46 2HG ARG 46 9.099 -2.174 -17.281 352 2HG ARG 46 1HG ARG 46 8.051 -0.912 -17.920 353 1HD ARG 46 2HD ARG 46 9.192 -0.923 -20.035 354 2HD ARG 46 1HD ARG 46 10.466 -1.963 -19.406 355 HE ARG 46 HE ARG 46 7.930 -3.243 -19.163 356 1HH1 ARG 46 2HH1 ARG 46 10.362 -2.339 -21.501 357 2HH1 ARG 46 1HH1 ARG 46 9.980 -3.635 -22.582 358 1HH2 ARG 46 1HH2 ARG 46 7.449 -4.932 -20.592 359 2HH2 ARG 46 2HH2 ARG 46 8.336 -5.099 -22.071 360 H MET 47 H MET 47 6.850 0.416 -17.243 361 HA MET 47 HA MET 47 6.670 2.150 -19.557 362 1HB MET 47 2HB MET 47 4.604 0.490 -18.097 363 2HB MET 47 1HB MET 47 4.259 1.445 -19.537 364 1HG MET 47 2HG MET 47 6.358 0.133 -20.501 365 2HG MET 47 1HG MET 47 5.907 -1.038 -19.261 366 1HE MET 47 1HE MET 47 3.744 -3.033 -20.101 367 2HE MET 47 2HE MET 47 2.455 -1.899 -19.707 368 3HE MET 47 3HE MET 47 3.960 -1.863 -18.791 369 H LEU 48 H LEU 48 5.855 2.292 -16.149 370 HA LEU 48 HA LEU 48 4.069 4.533 -16.314 371 1HB LEU 48 2HB LEU 48 5.411 3.001 -14.163 372 2HB LEU 48 1HB LEU 48 5.012 4.660 -13.784 373 HG LEU 48 HG LEU 48 3.226 3.268 -13.002 374 1HD1 LEU 48 1HD1 LEU 48 2.629 5.415 -14.152 375 2HD1 LEU 48 2HD1 LEU 48 1.342 4.210 -14.200 376 3HD1 LEU 48 3HD1 LEU 48 2.339 4.493 -15.627 377 1HD2 LEU 48 1HD2 LEU 48 1.932 1.962 -14.888 378 2HD2 LEU 48 2HD2 LEU 48 3.362 1.241 -14.152 379 3HD2 LEU 48 3HD2 LEU 48 3.483 2.027 -15.727 380 H GLY 49 H GLY 49 7.517 4.091 -16.082 381 1HA GLY 49 2HA GLY 49 8.908 5.915 -16.980 382 2HA GLY 49 1HA GLY 49 7.895 7.031 -16.073 383 H GLN 50 H GLN 50 9.088 3.919 -14.867 384 HA GLN 50 HA GLN 50 11.233 5.133 -13.333 385 1HB GLN 50 2HB GLN 50 10.299 4.445 -11.124 386 2HB GLN 50 1HB GLN 50 9.386 5.745 -11.888 387 1HG GLN 50 2HG GLN 50 8.183 3.424 -12.866 388 2HG GLN 50 1HG GLN 50 8.519 3.049 -11.177 389 1HE2 GLN 50 1HE2 GLN 50 7.061 5.648 -13.210 390 2HE2 GLN 50 2HE2 GLN 50 5.932 6.128 -12.038 391 H ASN 51 H ASN 51 12.476 3.557 -12.108 392 HA ASN 51 HA ASN 51 11.878 0.737 -12.508 393 1HB ASN 51 2HB ASN 51 13.243 1.840 -14.543 394 2HB ASN 51 1HB ASN 51 14.592 1.491 -13.462 395 1HD2 ASN 51 1HD2 ASN 51 11.663 -0.119 -14.838 396 2HD2 ASN 51 2HD2 ASN 51 12.377 -1.657 -14.922 397 HA PRO 52 HA PRO 52 14.098 1.519 -8.587 398 1HB PRO 52 2HB PRO 52 12.478 -0.091 -7.083 399 2HB PRO 52 1HB PRO 52 12.104 1.595 -7.470 400 1HG PRO 52 2HG PRO 52 10.928 -0.891 -8.553 401 2HG PRO 52 1HG PRO 52 10.216 0.722 -8.408 402 1HD PRO 52 2HD PRO 52 11.276 -0.448 -10.768 403 2HD PRO 52 1HD PRO 52 10.804 1.254 -10.550 404 H THR 53 H THR 53 14.262 -0.543 -6.731 405 HA THR 53 HA THR 53 15.880 -2.552 -8.171 406 HB THR 53 HB THR 53 17.210 -2.734 -6.252 407 HG1 THR 53 HG1 THR 53 16.437 -2.595 -4.277 408 1HG2 THR 53 1HG2 THR 53 17.217 -0.395 -7.258 409 2HG2 THR 53 2HG2 THR 53 17.826 -0.527 -5.608 410 3HG2 THR 53 3HG2 THR 53 16.198 0.086 -5.900 411 HA PRO 54 HA PRO 54 13.206 -5.838 -6.900 412 1HB PRO 54 2HB PRO 54 14.824 -7.724 -5.743 413 2HB PRO 54 1HB PRO 54 14.764 -7.400 -7.482 414 1HG PRO 54 2HG PRO 54 16.831 -6.638 -5.493 415 2HG PRO 54 1HG PRO 54 16.997 -6.972 -7.224 416 1HD PRO 54 2HD PRO 54 16.946 -4.427 -6.049 417 2HD PRO 54 1HD PRO 54 16.708 -4.767 -7.778 418 H GLU 55 H GLU 55 15.244 -4.572 -4.348 419 HA GLU 55 HA GLU 55 13.715 -5.730 -2.174 420 1HB GLU 55 2HB GLU 55 15.785 -3.513 -2.142 421 2HB GLU 55 1HB GLU 55 15.130 -4.336 -0.727 422 1HG GLU 55 2HG GLU 55 16.602 -6.023 -0.969 423 2HG GLU 55 1HG GLU 55 16.070 -6.292 -2.630 424 H GLU 56 H GLU 56 13.986 -2.591 -3.825 425 HA GLU 56 HA GLU 56 12.103 -1.271 -2.091 426 1HB GLU 56 2HB GLU 56 13.963 -0.421 -3.979 427 2HB GLU 56 1HB GLU 56 12.406 -0.063 -4.728 428 1HG GLU 56 2HG GLU 56 12.730 1.860 -3.461 429 2HG GLU 56 1HG GLU 56 11.814 0.869 -2.326 430 H LEU 57 H LEU 57 11.956 -2.964 -5.180 431 HA LEU 57 HA LEU 57 9.379 -2.186 -5.996 432 1HB LEU 57 2HB LEU 57 10.641 -3.257 -7.620 433 2HB LEU 57 1HB LEU 57 11.194 -4.499 -6.527 434 HG LEU 57 HG LEU 57 9.617 -5.186 -8.400 435 1HD1 LEU 57 1HD1 LEU 57 8.282 -6.048 -5.921 436 2HD1 LEU 57 2HD1 LEU 57 10.040 -6.193 -5.894 437 3HD1 LEU 57 3HD1 LEU 57 9.105 -7.006 -7.151 438 1HD2 LEU 57 1HD2 LEU 57 7.507 -4.381 -8.504 439 2HD2 LEU 57 2HD2 LEU 57 8.059 -3.120 -7.404 440 3HD2 LEU 57 3HD2 LEU 57 7.267 -4.561 -6.768 441 H GLN 58 H GLN 58 10.508 -4.925 -4.016 442 HA GLN 58 HA GLN 58 7.941 -6.062 -3.570 443 1HB GLN 58 2HB GLN 58 10.188 -7.197 -3.198 444 2HB GLN 58 1HB GLN 58 10.301 -6.279 -1.697 445 1HG GLN 58 2HG GLN 58 9.353 -8.471 -1.213 446 2HG GLN 58 1HG GLN 58 8.109 -7.245 -0.988 447 1HE2 GLN 58 1HE2 GLN 58 6.192 -7.483 -2.207 448 2HE2 GLN 58 2HE2 GLN 58 5.995 -8.614 -3.458 449 H GLU 59 H GLU 59 9.809 -3.573 -1.894 450 HA GLU 59 HA GLU 59 8.293 -3.390 0.474 451 1HB GLU 59 2HB GLU 59 10.055 -1.491 -1.035 452 2HB GLU 59 1HB GLU 59 9.069 -0.876 0.291 453 1HG GLU 59 2HG GLU 59 10.614 -3.383 0.783 454 2HG GLU 59 1HG GLU 59 11.520 -1.871 0.705 455 H MET 60 H MET 60 7.792 -1.994 -2.745 456 HA MET 60 HA MET 60 5.683 -0.221 -2.037 457 1HB MET 60 2HB MET 60 6.138 -1.559 -4.715 458 2HB MET 60 1HB MET 60 5.182 -0.108 -4.414 459 1HG MET 60 2HG MET 60 8.043 -0.143 -3.533 460 2HG MET 60 1HG MET 60 7.690 0.082 -5.244 461 1HE MET 60 1HE MET 60 9.283 1.922 -4.014 462 2HE MET 60 2HE MET 60 8.692 2.257 -2.390 463 3HE MET 60 3HE MET 60 8.642 3.522 -3.615 464 H ILE 61 H ILE 61 5.743 -3.537 -3.254 465 HA ILE 61 HA ILE 61 2.921 -3.879 -3.403 466 HB ILE 61 HB ILE 61 5.064 -5.990 -3.027 467 1HG1 ILE 61 2HG1 ILE 61 3.772 -5.473 -5.660 468 2HG1 ILE 61 1HG1 ILE 61 4.928 -4.260 -5.106 469 1HG2 ILE 61 1HG2 ILE 61 2.194 -6.141 -4.001 470 2HG2 ILE 61 2HG2 ILE 61 2.835 -6.846 -2.516 471 3HG2 ILE 61 3HG2 ILE 61 3.350 -7.470 -4.083 472 1HD1 ILE 61 1HD1 ILE 61 5.531 -7.227 -5.169 473 2HD1 ILE 61 2HD1 ILE 61 6.667 -5.910 -4.883 474 3HD1 ILE 61 3HD1 ILE 61 5.947 -6.122 -6.479 475 H ASP 62 H ASP 62 5.318 -4.776 -0.920 476 HA ASP 62 HA ASP 62 3.578 -5.991 0.908 477 1HB ASP 62 2HB ASP 62 6.247 -4.677 1.110 478 2HB ASP 62 1HB ASP 62 5.367 -4.990 2.605 479 H GLU 63 H GLU 63 4.204 -2.575 0.295 480 HA GLU 63 HA GLU 63 2.758 -1.725 2.676 481 1HB GLU 63 2HB GLU 63 4.045 -0.215 0.396 482 2HB GLU 63 1HB GLU 63 3.121 0.580 1.670 483 1HG GLU 63 2HG GLU 63 5.262 -1.349 2.481 484 2HG GLU 63 1HG GLU 63 5.752 0.243 1.899 485 H VAL 64 H VAL 64 2.327 -1.376 -0.862 486 HA VAL 64 HA VAL 64 -0.280 -0.240 -0.697 487 HB VAL 64 HB VAL 64 1.058 -1.692 -2.995 488 1HG1 VAL 64 1HG1 VAL 64 -1.479 -0.101 -2.734 489 2HG1 VAL 64 2HG1 VAL 64 -1.193 -1.608 -3.602 490 3HG1 VAL 64 3HG1 VAL 64 -0.585 -0.085 -4.255 491 1HG2 VAL 64 1HG2 VAL 64 0.803 1.284 -2.510 492 2HG2 VAL 64 2HG2 VAL 64 1.793 0.466 -3.719 493 3HG2 VAL 64 3HG2 VAL 64 2.215 0.349 -2.008 494 H ASP 65 H ASP 65 0.707 -3.462 -1.879 495 HA ASP 65 HA ASP 65 -1.859 -4.584 -1.998 496 1HB ASP 65 2HB ASP 65 0.769 -5.421 -2.523 497 2HB ASP 65 1HB ASP 65 0.159 -6.546 -1.317 498 H GLU 66 H GLU 66 -3.117 -4.275 -0.211 499 HA GLU 66 HA GLU 66 -2.259 -4.586 2.476 500 1HB GLU 66 2HB GLU 66 -4.716 -4.665 3.005 501 2HB GLU 66 1HB GLU 66 -4.218 -3.267 2.058 502 1HG GLU 66 2HG GLU 66 -5.789 -3.825 0.540 503 2HG GLU 66 1HG GLU 66 -4.842 -5.262 0.166 504 H ASP 67 H ASP 67 -3.726 -6.825 0.176 505 HA ASP 67 HA ASP 67 -4.002 -8.925 2.161 506 1HB ASP 67 2HB ASP 67 -4.596 -10.328 0.107 507 2HB ASP 67 1HB ASP 67 -5.684 -8.999 0.495 508 H GLY 68 H GLY 68 -1.819 -8.102 -0.498 509 1HA GLY 68 2HA GLY 68 0.342 -8.797 -0.919 510 2HA GLY 68 1HA GLY 68 0.319 -9.645 0.624 511 H SER 69 H SER 69 -1.689 -9.957 -2.296 512 HA SER 69 HA SER 69 -1.463 -12.853 -2.193 513 1HB SER 69 2HB SER 69 -3.075 -12.791 -4.077 514 2HB SER 69 1HB SER 69 -3.638 -11.868 -2.688 515 HG SER 69 HG SER 69 -2.795 -11.016 -5.200 516 H GLY 70 H GLY 70 0.558 -10.541 -3.420 517 1HA GLY 70 2HA GLY 70 2.374 -10.737 -4.839 518 2HA GLY 70 1HA GLY 70 1.862 -12.381 -5.213 519 H THR 71 H THR 71 -0.496 -9.861 -5.490 520 HA THR 71 HA THR 71 -0.055 -9.511 -8.361 521 HB THR 71 HB THR 71 -2.302 -10.178 -8.965 522 HG1 THR 71 HG1 THR 71 -3.635 -11.113 -7.303 523 1HG2 THR 71 1HG2 THR 71 -2.195 -12.583 -8.468 524 2HG2 THR 71 2HG2 THR 71 -1.038 -12.270 -7.172 525 3HG2 THR 71 3HG2 THR 71 -0.591 -11.960 -8.851 526 H VAL 72 H VAL 72 -0.412 -7.453 -8.922 527 HA VAL 72 HA VAL 72 -1.638 -5.666 -6.955 528 HB VAL 72 HB VAL 72 -0.459 -4.840 -9.605 529 1HG1 VAL 72 1HG1 VAL 72 -1.809 -3.189 -8.341 530 2HG1 VAL 72 2HG1 VAL 72 -0.110 -2.719 -8.413 531 3HG1 VAL 72 3HG1 VAL 72 -0.767 -3.428 -6.938 532 1HG2 VAL 72 1HG2 VAL 72 1.647 -4.415 -8.309 533 2HG2 VAL 72 2HG2 VAL 72 1.272 -6.131 -8.479 534 3HG2 VAL 72 3HG2 VAL 72 0.946 -5.301 -6.956 535 H ASP 73 H ASP 73 -3.707 -5.195 -7.047 536 HA ASP 73 HA ASP 73 -5.279 -5.699 -9.452 537 1HB ASP 73 2HB ASP 73 -6.017 -4.657 -6.701 538 2HB ASP 73 1HB ASP 73 -7.179 -4.866 -8.011 539 H PHE 74 H PHE 74 -6.880 -3.847 -10.090 540 HA PHE 74 HA PHE 74 -5.336 -1.663 -10.981 541 1HB PHE 74 2HB PHE 74 -7.559 -2.497 -11.947 542 2HB PHE 74 1HB PHE 74 -8.332 -1.517 -10.699 543 HD1 PHE 74 HD1 PHE 74 -5.261 -1.010 -12.782 544 HD2 PHE 74 HD2 PHE 74 -9.154 0.445 -11.691 545 HE1 PHE 74 HE1 PHE 74 -4.902 1.008 -14.174 546 HE2 PHE 74 HE2 PHE 74 -8.788 2.466 -13.082 547 HZ PHE 74 HZ PHE 74 -6.666 2.743 -14.323 548 H ASP 75 H ASP 75 -7.406 -2.048 -8.133 549 HA ASP 75 HA ASP 75 -7.385 0.677 -7.310 550 1HB ASP 75 2HB ASP 75 -7.908 -1.935 -5.920 551 2HB ASP 75 1HB ASP 75 -7.727 -0.461 -4.968 552 H GLU 76 H GLU 76 -5.284 -2.101 -6.613 553 HA GLU 76 HA GLU 76 -3.544 -0.640 -4.839 554 1HB GLU 76 2HB GLU 76 -3.002 -3.256 -6.269 555 2HB GLU 76 1HB GLU 76 -2.148 -2.627 -4.862 556 1HG GLU 76 2HG GLU 76 -4.138 -2.812 -3.490 557 2HG GLU 76 1HG GLU 76 -5.119 -3.243 -4.889 558 H PHE 77 H PHE 77 -3.750 -1.172 -8.273 559 HA PHE 77 HA PHE 77 -1.062 -0.612 -8.993 560 1HB PHE 77 2HB PHE 77 -3.176 -1.563 -10.358 561 2HB PHE 77 1HB PHE 77 -3.287 0.123 -10.836 562 HD1 PHE 77 HD1 PHE 77 -2.892 -0.783 -13.151 563 HD2 PHE 77 HD2 PHE 77 0.093 -1.007 -10.060 564 HE1 PHE 77 HE1 PHE 77 -1.141 -1.172 -14.855 565 HE2 PHE 77 HE2 PHE 77 1.833 -1.385 -11.771 566 HZ PHE 77 HZ PHE 77 1.219 -1.475 -14.173 567 H LEU 78 H LEU 78 -4.006 1.399 -9.086 568 HA LEU 78 HA LEU 78 -2.663 3.815 -9.774 569 1HB LEU 78 2HB LEU 78 -5.389 3.120 -8.760 570 2HB LEU 78 1HB LEU 78 -4.873 4.795 -8.725 571 HG LEU 78 HG LEU 78 -4.879 4.977 -11.051 572 1HD1 LEU 78 1HD1 LEU 78 -4.863 1.957 -11.299 573 2HD1 LEU 78 2HD1 LEU 78 -3.419 2.963 -11.411 574 3HD1 LEU 78 3HD1 LEU 78 -4.704 3.131 -12.606 575 1HD2 LEU 78 1HD2 LEU 78 -7.161 4.521 -10.106 576 2HD2 LEU 78 2HD2 LEU 78 -6.958 2.828 -10.557 577 3HD2 LEU 78 3HD2 LEU 78 -7.000 4.074 -11.803 578 H VAL 79 H VAL 79 -3.383 2.232 -6.721 579 HA VAL 79 HA VAL 79 -2.992 4.432 -4.980 580 HB VAL 79 HB VAL 79 -2.906 1.448 -4.687 581 1HG1 VAL 79 1HG1 VAL 79 -1.950 3.436 -2.606 582 2HG1 VAL 79 2HG1 VAL 79 -1.011 2.130 -3.334 583 3HG1 VAL 79 3HG1 VAL 79 -2.361 1.754 -2.262 584 1HG2 VAL 79 1HG2 VAL 79 -4.978 3.002 -4.584 585 2HG2 VAL 79 2HG2 VAL 79 -4.355 3.496 -3.010 586 3HG2 VAL 79 3HG2 VAL 79 -4.782 1.809 -3.299 587 H MET 80 H MET 80 -0.760 1.861 -6.048 588 HA MET 80 HA MET 80 1.567 2.524 -4.786 589 1HB MET 80 2HB MET 80 0.900 0.840 -6.843 590 2HB MET 80 1HB MET 80 1.973 1.985 -7.648 591 1HG MET 80 2HG MET 80 2.909 1.115 -4.996 592 2HG MET 80 1HG MET 80 2.817 -0.179 -6.188 593 1HE MET 80 1HE MET 80 5.070 0.860 -9.042 594 2HE MET 80 2HE MET 80 3.328 1.099 -8.926 595 3HE MET 80 3HE MET 80 4.052 -0.373 -8.284 596 H MET 81 H MET 81 0.116 4.229 -7.537 597 HA MET 81 HA MET 81 2.381 5.834 -8.172 598 1HB MET 81 2HB MET 81 0.349 5.441 -9.635 599 2HB MET 81 1HB MET 81 -0.506 6.591 -8.612 600 1HG MET 81 2HG MET 81 2.148 7.478 -9.596 601 2HG MET 81 1HG MET 81 0.892 7.320 -10.824 602 1HE MET 81 1HE MET 81 -1.709 9.213 -10.429 603 2HE MET 81 2HE MET 81 -1.988 8.810 -8.737 604 3HE MET 81 3HE MET 81 -1.446 7.561 -9.855 605 H VAL 82 H VAL 82 -0.611 6.609 -6.353 606 HA VAL 82 HA VAL 82 0.278 9.175 -5.510 607 HB VAL 82 HB VAL 82 -1.535 9.016 -3.798 608 1HG1 VAL 82 1HG1 VAL 82 -3.384 8.765 -5.522 609 2HG1 VAL 82 2HG1 VAL 82 -2.135 8.300 -6.677 610 3HG1 VAL 82 3HG1 VAL 82 -2.110 9.906 -5.947 611 1HG2 VAL 82 1HG2 VAL 82 -1.311 6.510 -3.503 612 2HG2 VAL 82 2HG2 VAL 82 -2.116 6.324 -5.062 613 3HG2 VAL 82 3HG2 VAL 82 -2.966 7.080 -3.715 614 H ARG 83 H ARG 83 0.841 5.963 -4.288 615 HA ARG 83 HA ARG 83 1.646 6.637 -1.643 616 1HB ARG 83 2HB ARG 83 2.339 4.284 -3.419 617 2HB ARG 83 1HB ARG 83 2.859 4.420 -1.739 618 1HG ARG 83 2HG ARG 83 0.104 4.997 -1.708 619 2HG ARG 83 1HG ARG 83 0.279 3.618 -2.792 620 1HD ARG 83 2HD ARG 83 -0.007 2.749 -0.563 621 2HD ARG 83 1HD ARG 83 1.672 2.494 -1.022 622 HE ARG 83 HE ARG 83 1.560 4.951 0.311 623 1HH1 ARG 83 2HH1 ARG 83 0.928 1.581 0.982 624 2HH1 ARG 83 1HH1 ARG 83 1.339 1.708 2.658 625 1HH2 ARG 83 1HH2 ARG 83 2.095 5.093 2.511 626 2HH2 ARG 83 2HH2 ARG 83 1.997 3.691 3.522 627 H CYS 84 H CYS 84 3.260 6.732 -4.755 628 HA CYS 84 HA CYS 84 5.896 7.146 -3.557 629 1HB CYS 84 2HB CYS 84 4.899 6.863 -6.382 630 2HB CYS 84 1HB CYS 84 6.518 7.475 -6.048 631 HG CYS 84 HG CYS 84 7.232 5.152 -5.620 632 H MET 85 H MET 85 3.399 8.978 -5.285 633 HA MET 85 HA MET 85 4.963 11.382 -5.494 634 1HB MET 85 2HB MET 85 2.755 10.518 -6.784 635 2HB MET 85 1HB MET 85 2.003 11.564 -5.579 636 1HG MET 85 2HG MET 85 2.443 13.080 -7.294 637 2HG MET 85 1HG MET 85 3.884 13.257 -6.293 638 1HE MET 85 1HE MET 85 3.415 11.492 -10.447 639 2HE MET 85 2HE MET 85 2.273 12.397 -9.457 640 3HE MET 85 3HE MET 85 2.567 10.694 -9.116 641 H LYS 86 H LYS 86 2.405 10.215 -3.327 642 HA LYS 86 HA LYS 86 2.908 12.525 -1.542 643 1HB LYS 86 2HB LYS 86 0.541 12.068 -2.546 644 2HB LYS 86 1HB LYS 86 0.478 10.768 -1.357 645 1HG LYS 86 2HG LYS 86 1.461 13.244 -0.176 646 2HG LYS 86 1HG LYS 86 -0.132 13.460 -0.901 647 1HD LYS 86 2HD LYS 86 -0.865 11.363 0.323 648 2HD LYS 86 1HD LYS 86 0.670 11.417 1.188 649 1HE LYS 86 2HE LYS 86 -0.662 12.617 2.656 650 2HE LYS 86 1HE LYS 86 -0.058 13.929 1.645 651 1HZ LYS 86 1HZ LYS 86 -2.469 14.025 1.953 652 2HZ LYS 86 2HZ LYS 86 -2.628 12.498 1.229 653 3HZ LYS 86 3HZ LYS 86 -2.055 13.816 0.323 654 H ASP 87 H ASP 87 2.925 12.105 0.743 655 HA ASP 87 HA ASP 87 3.530 10.970 2.641 656 1HB ASP 87 2HB ASP 87 1.590 9.445 1.796 657 2HB ASP 87 1HB ASP 87 2.882 8.347 1.315 658 H ASP 88 H ASP 88 5.603 11.741 1.276 659 HA ASP 88 HA ASP 88 7.574 9.686 1.756 660 1HB ASP 88 2HB ASP 88 8.583 9.825 -0.528 661 2HB ASP 88 1HB ASP 88 7.013 9.028 -0.502 662 H SER 89 HN SER 89 8.912 10.804 2.984 663 HA SER 89 HA SER 89 9.602 13.578 2.222 664 1HB SER 89 2HB SER 89 8.599 13.216 4.495 665 2HB SER 89 1HB SER 89 10.006 12.240 4.906 666 HG SER 89 HG SER 89 9.794 14.994 4.410 Start of MODEL 25 1 1H MET 1 1H MET 1 -6.602 6.198 11.615 2 2H MET 1 2H MET 1 -5.454 6.178 10.362 3 3H MET 1 3H MET 1 -6.973 5.449 10.141 4 HA MET 1 HA MET 1 -8.080 7.424 9.900 5 1HB MET 1 2HB MET 1 -7.078 9.602 10.664 6 2HB MET 1 1HB MET 1 -7.374 8.462 11.973 7 1HG MET 1 2HG MET 1 -4.871 7.729 11.453 8 2HG MET 1 1HG MET 1 -4.771 9.361 10.794 9 1HE MET 1 1HE MET 1 -4.614 7.901 14.964 10 2HE MET 1 2HE MET 1 -4.728 7.042 13.431 11 3HE MET 1 3HE MET 1 -6.198 7.539 14.266 12 H ASN 2 H ASN 2 -6.957 6.143 7.939 13 HA ASN 2 HA ASN 2 -5.315 8.109 6.448 14 1HB ASN 2 2HB ASN 2 -5.421 5.093 6.170 15 2HB ASN 2 1HB ASN 2 -4.526 6.168 5.097 16 1HD2 ASN 2 1HD2 ASN 2 -2.856 7.631 6.262 17 2HD2 ASN 2 2HD2 ASN 2 -2.043 6.964 7.595 18 H ASP 3 H ASP 3 -7.061 9.249 5.606 19 HA ASP 3 HA ASP 3 -8.902 7.747 3.847 20 1HB ASP 3 2HB ASP 3 -9.159 10.382 5.281 21 2HB ASP 3 1HB ASP 3 -10.214 9.962 3.930 22 H ILE 4 H ILE 4 -6.218 9.875 3.761 23 HA ILE 4 HA ILE 4 -6.823 11.378 1.436 24 HB ILE 4 HB ILE 4 -4.377 11.766 1.274 25 1HG1 ILE 4 2HG1 ILE 4 -3.283 10.745 3.561 26 2HG1 ILE 4 1HG1 ILE 4 -4.368 9.432 3.107 27 1HG2 ILE 4 1HG2 ILE 4 -5.654 11.986 4.013 28 2HG2 ILE 4 2HG2 ILE 4 -5.656 13.201 2.734 29 3HG2 ILE 4 3HG2 ILE 4 -4.153 12.796 3.564 30 1HD1 ILE 4 1HD1 ILE 4 -2.551 10.701 1.065 31 2HD1 ILE 4 2HD1 ILE 4 -3.309 9.108 1.029 32 3HD1 ILE 4 3HD1 ILE 4 -1.964 9.419 2.126 33 H TYR 5 H TYR 5 -5.484 8.158 1.871 34 HA TYR 5 HA TYR 5 -4.505 7.769 -0.765 35 1HB TYR 5 2HB TYR 5 -5.566 5.693 1.172 36 2HB TYR 5 1HB TYR 5 -4.590 5.365 -0.259 37 HD1 TYR 5 HD1 TYR 5 -4.586 6.553 3.190 38 HD2 TYR 5 HD2 TYR 5 -2.218 6.153 -0.372 39 HE1 TYR 5 HE1 TYR 5 -2.531 6.966 4.507 40 HE2 TYR 5 HE2 TYR 5 -0.166 6.566 0.948 41 HH TYR 5 HH TYR 5 0.127 7.964 3.499 42 H LYS 6 H LYS 6 -7.661 7.294 0.734 43 HA LYS 6 HA LYS 6 -8.828 6.175 -1.692 44 1HB LYS 6 2HB LYS 6 -10.023 6.907 0.991 45 2HB LYS 6 1HB LYS 6 -10.948 6.222 -0.345 46 1HG LYS 6 2HG LYS 6 -10.383 4.223 0.583 47 2HG LYS 6 1HG LYS 6 -8.838 4.485 -0.224 48 1HD LYS 6 2HD LYS 6 -7.983 5.609 1.824 49 2HD LYS 6 1HD LYS 6 -9.511 5.259 2.631 50 1HE LYS 6 2HE LYS 6 -9.130 2.919 2.580 51 2HE LYS 6 1HE LYS 6 -7.850 3.071 1.376 52 1HZ LYS 6 1HZ LYS 6 -6.988 2.684 3.621 53 2HZ LYS 6 2HZ LYS 6 -7.711 4.128 4.150 54 3HZ LYS 6 3HZ LYS 6 -6.468 4.171 2.992 55 H ALA 7 H ALA 7 -8.501 9.281 -0.153 56 HA ALA 7 HA ALA 7 -10.711 10.596 -1.372 57 1HB ALA 7 1HB ALA 7 -9.430 12.689 -0.815 58 2HB ALA 7 2HB ALA 7 -8.118 11.660 -0.241 59 3HB ALA 7 3HB ALA 7 -9.691 11.607 0.556 60 H ALA 8 H ALA 8 -7.421 9.922 -2.431 61 HA ALA 8 HA ALA 8 -7.547 11.748 -4.670 62 1HB ALA 8 1HB ALA 8 -5.389 11.250 -3.646 63 2HB ALA 8 2HB ALA 8 -5.400 10.716 -5.328 64 3HB ALA 8 3HB ALA 8 -5.584 9.538 -4.027 65 H VAL 9 H VAL 9 -7.742 8.210 -4.249 66 HA VAL 9 HA VAL 9 -7.994 7.624 -7.017 67 HB VAL 9 HB VAL 9 -7.374 5.973 -5.209 68 1HG1 VAL 9 1HG1 VAL 9 -9.178 4.870 -3.990 69 2HG1 VAL 9 2HG1 VAL 9 -10.374 5.907 -4.768 70 3HG1 VAL 9 3HG1 VAL 9 -9.206 6.599 -3.642 71 1HG2 VAL 9 1HG2 VAL 9 -8.147 5.412 -7.585 72 2HG2 VAL 9 2HG2 VAL 9 -9.723 5.053 -6.881 73 3HG2 VAL 9 3HG2 VAL 9 -8.307 4.122 -6.395 74 H GLU 10 H GLU 10 -10.303 8.736 -4.641 75 HA GLU 10 HA GLU 10 -12.608 7.960 -6.215 76 1HB GLU 10 2HB GLU 10 -13.935 8.998 -4.510 77 2HB GLU 10 1HB GLU 10 -12.642 8.109 -3.708 78 1HG GLU 10 2HG GLU 10 -11.383 10.128 -3.333 79 2HG GLU 10 1HG GLU 10 -12.483 11.068 -4.338 80 H GLN 11 H GLN 11 -10.417 10.638 -6.173 81 HA GLN 11 HA GLN 11 -12.244 12.099 -7.984 82 1HB GLN 11 2HB GLN 11 -11.591 14.219 -7.050 83 2HB GLN 11 1HB GLN 11 -12.131 13.188 -5.726 84 1HG GLN 11 2HG GLN 11 -9.589 12.541 -5.555 85 2HG GLN 11 1HG GLN 11 -9.337 14.043 -6.441 86 1HE2 GLN 11 1HE2 GLN 11 -8.301 14.966 -4.476 87 2HE2 GLN 11 2HE2 GLN 11 -9.261 15.491 -3.179 88 H LEU 12 H LEU 12 -9.995 10.244 -8.532 89 HA LEU 12 HA LEU 12 -7.770 11.839 -9.438 90 1HB LEU 12 2HB LEU 12 -7.314 9.626 -10.778 91 2HB LEU 12 1HB LEU 12 -7.019 9.724 -9.058 92 HG LEU 12 HG LEU 12 -9.078 8.526 -8.599 93 1HD1 LEU 12 1HD1 LEU 12 -10.552 9.306 -10.315 94 2HD1 LEU 12 2HD1 LEU 12 -10.355 7.576 -10.590 95 3HD1 LEU 12 3HD1 LEU 12 -9.477 8.731 -11.591 96 1HD2 LEU 12 1HD2 LEU 12 -7.613 7.133 -10.852 97 2HD2 LEU 12 2HD2 LEU 12 -8.450 6.378 -9.496 98 3HD2 LEU 12 3HD2 LEU 12 -6.966 7.288 -9.218 99 H THR 13 H THR 13 -7.061 11.330 -11.857 100 HA THR 13 HA THR 13 -9.214 12.425 -13.539 101 HB THR 13 HB THR 13 -6.974 12.459 -15.113 102 HG1 THR 13 HG1 THR 13 -5.587 11.775 -13.538 103 1HG2 THR 13 1HG2 THR 13 -8.590 14.307 -13.638 104 2HG2 THR 13 2HG2 THR 13 -7.663 14.588 -15.112 105 3HG2 THR 13 3HG2 THR 13 -6.906 14.818 -13.536 106 H ASP 14 H ASP 14 -9.139 11.728 -15.879 107 HA ASP 14 HA ASP 14 -9.551 8.890 -16.039 108 1HB ASP 14 2HB ASP 14 -9.543 11.096 -18.104 109 2HB ASP 14 1HB ASP 14 -9.805 9.404 -18.529 110 H GLU 15 H GLU 15 -6.966 11.112 -16.845 111 HA GLU 15 HA GLU 15 -5.413 9.528 -18.553 112 1HB GLU 15 2HB GLU 15 -3.571 10.968 -17.997 113 2HB GLU 15 1HB GLU 15 -5.029 11.961 -18.008 114 1HG GLU 15 2HG GLU 15 -5.159 11.507 -15.479 115 2HG GLU 15 1HG GLU 15 -3.501 10.923 -15.615 116 H GLN 16 H GLN 16 -5.669 9.556 -15.019 117 HA GLN 16 HA GLN 16 -3.481 7.763 -14.548 118 1HB GLN 16 2HB GLN 16 -5.783 8.772 -12.898 119 2HB GLN 16 1HB GLN 16 -4.780 7.447 -12.307 120 1HG GLN 16 2HG GLN 16 -2.827 8.781 -12.281 121 2HG GLN 16 1HG GLN 16 -3.545 10.004 -13.329 122 1HE2 GLN 16 1HE2 GLN 16 -4.657 8.445 -10.257 123 2HE2 GLN 16 2HE2 GLN 16 -4.957 9.912 -9.461 124 H LYS 17 H LYS 17 -6.977 7.414 -14.978 125 HA LYS 17 HA LYS 17 -7.169 4.655 -14.353 126 1HB LYS 17 2HB LYS 17 -8.896 6.386 -16.141 127 2HB LYS 17 1HB LYS 17 -9.304 4.743 -15.648 128 1HG LYS 17 2HG LYS 17 -8.872 7.110 -13.796 129 2HG LYS 17 1HG LYS 17 -10.416 6.346 -14.170 130 1HD LYS 17 2HD LYS 17 -9.187 4.162 -13.336 131 2HD LYS 17 1HD LYS 17 -8.152 5.319 -12.501 132 1HE LYS 17 2HE LYS 17 -9.743 5.775 -10.968 133 2HE LYS 17 1HE LYS 17 -10.977 5.985 -12.210 134 1HZ LYS 17 1HZ LYS 17 -11.467 4.125 -10.728 135 2HZ LYS 17 2HZ LYS 17 -10.012 3.371 -11.176 136 3HZ LYS 17 3HZ LYS 17 -11.244 3.601 -12.325 137 H ASN 18 H ASN 18 -5.872 6.291 -17.102 138 HA ASN 18 HA ASN 18 -6.016 3.836 -18.734 139 1HB ASN 18 2HB ASN 18 -5.789 6.747 -19.371 140 2HB ASN 18 1HB ASN 18 -5.031 5.594 -20.473 141 1HD2 ASN 18 1HD2 ASN 18 -8.071 6.936 -19.450 142 2HD2 ASN 18 2HD2 ASN 18 -9.062 5.966 -20.430 143 H GLU 19 H GLU 19 -3.812 6.046 -17.134 144 HA GLU 19 HA GLU 19 -1.393 5.374 -18.376 145 1HB GLU 19 2HB GLU 19 -1.822 7.208 -16.638 146 2HB GLU 19 1HB GLU 19 -1.652 5.945 -15.420 147 1HG GLU 19 2HG GLU 19 0.541 6.684 -15.561 148 2HG GLU 19 1HG GLU 19 0.563 5.395 -16.764 149 H PHE 20 H PHE 20 -2.792 4.033 -15.377 150 HA PHE 20 HA PHE 20 -0.848 1.902 -15.255 151 1HB PHE 20 2HB PHE 20 -3.301 2.609 -13.669 152 2HB PHE 20 1HB PHE 20 -2.505 1.055 -13.452 153 HD1 PHE 20 HD1 PHE 20 -2.298 4.657 -12.902 154 HD2 PHE 20 HD2 PHE 20 -0.145 0.948 -12.650 155 HE1 PHE 20 HE1 PHE 20 -0.632 5.724 -11.415 156 HE2 PHE 20 HE2 PHE 20 1.517 2.013 -11.154 157 HZ PHE 20 HZ PHE 20 1.276 4.404 -10.538 158 H LYS 21 H LYS 21 -4.261 2.208 -16.213 159 HA LYS 21 HA LYS 21 -4.900 -0.499 -16.458 160 1HB LYS 21 2HB LYS 21 -6.568 1.289 -16.610 161 2HB LYS 21 1HB LYS 21 -5.896 1.794 -18.157 162 1HG LYS 21 2HG LYS 21 -6.538 -1.076 -18.038 163 2HG LYS 21 1HG LYS 21 -7.944 -0.031 -17.834 164 1HD LYS 21 2HD LYS 21 -6.041 0.718 -19.997 165 2HD LYS 21 1HD LYS 21 -7.001 -0.738 -20.263 166 1HE LYS 21 2HE LYS 21 -9.056 0.599 -19.676 167 2HE LYS 21 1HE LYS 21 -8.041 2.041 -19.645 168 1HZ LYS 21 1HZ LYS 21 -8.464 0.234 -21.963 169 2HZ LYS 21 2HZ LYS 21 -7.395 1.555 -21.946 170 3HZ LYS 21 3HZ LYS 21 -9.068 1.809 -21.791 171 H ALA 22 H ALA 22 -3.069 1.575 -18.645 172 HA ALA 22 HA ALA 22 -3.176 -0.020 -20.965 173 1HB ALA 22 1HB ALA 22 -2.230 2.286 -20.893 174 2HB ALA 22 2HB ALA 22 -1.139 1.131 -21.659 175 3HB ALA 22 3HB ALA 22 -0.844 1.659 -20.003 176 H ALA 23 H ALA 23 -0.672 0.081 -18.428 177 HA ALA 23 HA ALA 23 0.724 -2.229 -19.353 178 1HB ALA 23 1HB ALA 23 1.947 -2.105 -17.261 179 2HB ALA 23 2HB ALA 23 0.721 -1.047 -16.560 180 3HB ALA 23 3HB ALA 23 1.736 -0.467 -17.881 181 H PHE 24 H PHE 24 -1.816 -1.615 -16.994 182 HA PHE 24 HA PHE 24 -1.938 -4.091 -15.703 183 1HB PHE 24 2HB PHE 24 -3.240 -1.934 -15.188 184 2HB PHE 24 1HB PHE 24 -4.381 -2.467 -16.419 185 HD1 PHE 24 HD1 PHE 24 -5.452 -4.780 -16.166 186 HD2 PHE 24 HD2 PHE 24 -3.302 -2.833 -13.000 187 HE1 PHE 24 HE1 PHE 24 -6.528 -6.278 -14.511 188 HE2 PHE 24 HE2 PHE 24 -4.378 -4.328 -11.350 189 HZ PHE 24 HZ PHE 24 -5.993 -6.046 -12.102 190 H ASP 25 H ASP 25 -3.606 -2.987 -18.665 191 HA ASP 25 HA ASP 25 -5.096 -5.341 -19.113 192 1HB ASP 25 2HB ASP 25 -5.023 -2.906 -20.299 193 2HB ASP 25 1HB ASP 25 -4.201 -3.877 -21.519 194 H ILE 26 H ILE 26 -1.889 -4.396 -20.375 195 HA ILE 26 HA ILE 26 -1.601 -6.721 -22.006 196 HB ILE 26 HB ILE 26 0.822 -6.103 -22.098 197 1HG1 ILE 26 2HG1 ILE 26 -0.043 -3.778 -20.347 198 2HG1 ILE 26 1HG1 ILE 26 0.914 -5.144 -19.776 199 1HG2 ILE 26 1HG2 ILE 26 -1.099 -3.793 -22.517 200 2HG2 ILE 26 2HG2 ILE 26 -0.903 -5.148 -23.630 201 3HG2 ILE 26 3HG2 ILE 26 0.439 -4.041 -23.343 202 1HD1 ILE 26 1HD1 ILE 26 2.045 -4.012 -22.203 203 2HD1 ILE 26 2HD1 ILE 26 2.804 -4.275 -20.633 204 3HD1 ILE 26 3HD1 ILE 26 1.894 -2.793 -20.936 205 H PHE 27 H PHE 27 -0.611 -5.970 -18.682 206 HA PHE 27 HA PHE 27 0.888 -8.395 -18.353 207 1HB PHE 27 2HB PHE 27 -0.166 -6.378 -16.369 208 2HB PHE 27 1HB PHE 27 0.760 -7.803 -15.892 209 HD1 PHE 27 HD1 PHE 27 2.803 -8.137 -17.865 210 HD2 PHE 27 HD2 PHE 27 1.199 -4.475 -16.292 211 HE1 PHE 27 HE1 PHE 27 4.898 -6.961 -18.467 212 HE2 PHE 27 HE2 PHE 27 3.296 -3.303 -16.896 213 HZ PHE 27 HZ PHE 27 5.145 -4.541 -17.983 214 H ILE 28 H ILE 28 -2.485 -7.483 -17.812 215 HA ILE 28 HA ILE 28 -3.012 -10.115 -16.592 216 HB ILE 28 HB ILE 28 -5.232 -9.314 -16.076 217 1HG1 ILE 28 2HG1 ILE 28 -5.419 -6.662 -16.704 218 2HG1 ILE 28 1HG1 ILE 28 -4.546 -7.270 -18.109 219 1HG2 ILE 28 1HG2 ILE 28 -4.654 -7.785 -14.422 220 2HG2 ILE 28 2HG2 ILE 28 -3.516 -6.931 -15.461 221 3HG2 ILE 28 3HG2 ILE 28 -3.089 -8.506 -14.794 222 1HD1 ILE 28 1HD1 ILE 28 -6.287 -8.652 -18.771 223 2HD1 ILE 28 2HD1 ILE 28 -7.192 -7.318 -18.052 224 3HD1 ILE 28 3HD1 ILE 28 -6.928 -8.801 -17.134 225 H GLN 29 H GLN 29 -2.509 -9.243 -19.606 226 HA GLN 29 HA GLN 29 -4.696 -9.713 -21.207 227 1HB GLN 29 2HB GLN 29 -2.533 -9.088 -22.124 228 2HB GLN 29 1HB GLN 29 -1.843 -10.632 -21.627 229 1HG GLN 29 2HG GLN 29 -3.298 -11.838 -23.147 230 2HG GLN 29 1HG GLN 29 -4.162 -10.356 -23.559 231 1HE2 GLN 29 1HE2 GLN 29 -2.614 -8.537 -24.454 232 2HE2 GLN 29 2HE2 GLN 29 -1.400 -9.058 -25.520 233 H ASP 30 H ASP 30 -2.640 -12.107 -19.594 234 HA ASP 30 HA ASP 30 -4.497 -14.237 -20.475 235 1HB ASP 30 2HB ASP 30 -1.572 -14.336 -19.723 236 2HB ASP 30 1HB ASP 30 -2.570 -15.782 -19.879 237 H ALA 31 H ALA 31 -4.768 -12.377 -18.125 238 HA ALA 31 HA ALA 31 -4.558 -14.264 -15.876 239 1HB ALA 31 1HB ALA 31 -3.680 -11.908 -15.633 240 2HB ALA 31 2HB ALA 31 -4.880 -12.373 -14.428 241 3HB ALA 31 3HB ALA 31 -5.344 -11.342 -15.782 242 H GLU 32 H GLU 32 -6.401 -14.452 -14.414 243 HA GLU 32 HA GLU 32 -9.010 -13.961 -15.714 244 1HB GLU 32 2HB GLU 32 -9.789 -16.184 -14.941 245 2HB GLU 32 1HB GLU 32 -8.477 -16.302 -16.112 246 1HG GLU 32 2HG GLU 32 -6.903 -16.398 -14.061 247 2HG GLU 32 1HG GLU 32 -8.361 -16.728 -13.123 248 H ASP 33 H ASP 33 -7.584 -12.550 -13.525 249 HA ASP 33 HA ASP 33 -9.755 -12.701 -11.551 250 1HB ASP 33 2HB ASP 33 -7.494 -14.015 -10.951 251 2HB ASP 33 1HB ASP 33 -7.026 -12.402 -10.414 252 H GLY 34 H GLY 34 -8.455 -10.769 -13.680 253 1HA GLY 34 2HA GLY 34 -8.132 -8.504 -13.927 254 2HA GLY 34 1HA GLY 34 -9.280 -8.352 -12.603 255 H CYS 35 H CYS 35 -5.891 -9.472 -12.910 256 HA CYS 35 HA CYS 35 -4.905 -7.325 -11.240 257 1HB CYS 35 2HB CYS 35 -3.998 -8.825 -9.475 258 2HB CYS 35 1HB CYS 35 -5.759 -8.767 -9.478 259 HG CYS 35 HG CYS 35 -4.065 -11.183 -10.490 260 H ILE 36 H ILE 36 -2.680 -7.073 -11.386 261 HA ILE 36 HA ILE 36 -1.393 -8.692 -13.465 262 HB ILE 36 HB ILE 36 0.318 -7.004 -13.560 263 1HG1 ILE 36 2HG1 ILE 36 -0.347 -4.974 -11.807 264 2HG1 ILE 36 1HG1 ILE 36 -0.630 -6.419 -10.836 265 1HG2 ILE 36 1HG2 ILE 36 -1.676 -6.360 -14.735 266 2HG2 ILE 36 2HG2 ILE 36 -1.083 -4.927 -13.895 267 3HG2 ILE 36 3HG2 ILE 36 -2.453 -5.827 -13.244 268 1HD1 ILE 36 1HD1 ILE 36 1.908 -5.999 -12.432 269 2HD1 ILE 36 2HD1 ILE 36 1.611 -7.196 -11.172 270 3HD1 ILE 36 3HD1 ILE 36 1.745 -5.489 -10.752 271 H SER 37 H SER 37 1.082 -9.035 -13.023 272 HA SER 37 HA SER 37 1.233 -10.610 -10.557 273 1HB SER 37 2HB SER 37 1.922 -11.563 -12.796 274 2HB SER 37 1HB SER 37 3.278 -10.439 -12.780 275 HG SER 37 HG SER 37 4.209 -11.581 -11.248 276 H THR 38 H THR 38 1.958 -9.617 -8.787 277 HA THR 38 HA THR 38 3.313 -7.172 -8.651 278 HB THR 38 HB THR 38 3.940 -7.816 -6.346 279 HG1 THR 38 HG1 THR 38 4.152 -9.838 -5.922 280 1HG2 THR 38 1HG2 THR 38 1.517 -8.537 -5.666 281 2HG2 THR 38 2HG2 THR 38 1.168 -8.306 -7.379 282 3HG2 THR 38 3HG2 THR 38 1.773 -6.961 -6.413 283 H LYS 39 H LYS 39 4.562 -10.475 -8.826 284 HA LYS 39 HA LYS 39 7.293 -9.933 -8.378 285 1HB LYS 39 2HB LYS 39 6.237 -12.054 -10.261 286 2HB LYS 39 1HB LYS 39 7.758 -12.070 -9.374 287 1HG LYS 39 2HG LYS 39 4.956 -12.396 -8.287 288 2HG LYS 39 1HG LYS 39 6.317 -13.505 -8.142 289 1HD LYS 39 2HD LYS 39 7.479 -11.980 -6.656 290 2HD LYS 39 1HD LYS 39 6.253 -10.738 -6.909 291 1HE LYS 39 2HE LYS 39 5.545 -11.666 -4.891 292 2HE LYS 39 1HE LYS 39 4.599 -12.596 -6.052 293 1HZ LYS 39 1HZ LYS 39 6.251 -14.342 -5.969 294 2HZ LYS 39 2HZ LYS 39 5.676 -14.013 -4.405 295 3HZ LYS 39 3HZ LYS 39 7.199 -13.441 -4.889 296 H GLU 40 H GLU 40 5.261 -9.576 -11.202 297 HA GLU 40 HA GLU 40 7.587 -8.745 -12.820 298 1HB GLU 40 2HB GLU 40 4.759 -9.403 -13.686 299 2HB GLU 40 1HB GLU 40 6.093 -8.978 -14.759 300 1HG GLU 40 2HG GLU 40 7.357 -10.950 -13.969 301 2HG GLU 40 1HG GLU 40 6.015 -11.382 -12.910 302 H LEU 41 H LEU 41 6.150 -7.144 -10.664 303 HA LEU 41 HA LEU 41 4.638 -5.104 -11.966 304 1HB LEU 41 2HB LEU 41 4.632 -5.630 -9.487 305 2HB LEU 41 1HB LEU 41 6.167 -4.793 -9.390 306 HG LEU 41 HG LEU 41 3.894 -3.333 -10.651 307 1HD1 LEU 41 1HD1 LEU 41 3.433 -4.621 -8.253 308 2HD1 LEU 41 2HD1 LEU 41 2.606 -3.162 -8.799 309 3HD1 LEU 41 3HD1 LEU 41 4.004 -3.036 -7.732 310 1HD2 LEU 41 1HD2 LEU 41 5.009 -1.538 -9.126 311 2HD2 LEU 41 2HD2 LEU 41 5.896 -2.100 -10.544 312 3HD2 LEU 41 3HD2 LEU 41 6.304 -2.722 -8.944 313 H GLY 42 H GLY 42 8.069 -5.626 -11.442 314 1HA GLY 42 2HA GLY 42 9.077 -3.040 -11.787 315 2HA GLY 42 1HA GLY 42 9.914 -4.515 -12.267 316 H LYS 43 H LYS 43 7.789 -5.343 -14.113 317 HA LYS 43 HA LYS 43 8.706 -4.094 -16.496 318 1HB LYS 43 2HB LYS 43 6.219 -5.778 -16.087 319 2HB LYS 43 1HB LYS 43 6.988 -5.417 -17.632 320 1HG LYS 43 2HG LYS 43 8.661 -6.658 -15.479 321 2HG LYS 43 1HG LYS 43 7.511 -7.681 -16.339 322 1HD LYS 43 2HD LYS 43 8.589 -6.457 -18.461 323 2HD LYS 43 1HD LYS 43 9.958 -6.308 -17.358 324 1HE LYS 43 2HE LYS 43 9.082 -8.940 -17.009 325 2HE LYS 43 1HE LYS 43 8.959 -8.668 -18.746 326 1HZ LYS 43 1HZ LYS 43 11.255 -7.817 -18.692 327 2HZ LYS 43 2HZ LYS 43 11.146 -9.445 -18.220 328 3HZ LYS 43 3HZ LYS 43 11.356 -8.232 -17.049 329 H VAL 44 H VAL 44 6.082 -3.383 -14.296 330 HA VAL 44 HA VAL 44 4.734 -1.644 -16.214 331 HB VAL 44 HB VAL 44 2.923 -1.629 -14.822 332 1HG1 VAL 44 1HG1 VAL 44 3.903 -3.868 -13.185 333 2HG1 VAL 44 2HG1 VAL 44 4.152 -4.085 -14.915 334 3HG1 VAL 44 3HG1 VAL 44 2.530 -3.793 -14.287 335 1HG2 VAL 44 1HG2 VAL 44 3.588 -0.390 -12.966 336 2HG2 VAL 44 2HG2 VAL 44 4.942 -1.460 -12.605 337 3HG2 VAL 44 3HG2 VAL 44 3.299 -1.966 -12.232 338 H MET 45 H MET 45 6.794 -1.422 -13.354 339 HA MET 45 HA MET 45 6.558 1.379 -12.957 340 1HB MET 45 2HB MET 45 8.623 -0.667 -12.174 341 2HB MET 45 1HB MET 45 8.897 1.048 -11.873 342 1HG MET 45 2HG MET 45 6.325 -0.270 -11.022 343 2HG MET 45 1HG MET 45 7.760 -0.351 -10.002 344 1HE MET 45 1HE MET 45 4.723 1.417 -10.998 345 2HE MET 45 2HE MET 45 4.696 2.692 -9.783 346 3HE MET 45 3HE MET 45 4.873 1.013 -9.282 347 H ARG 46 H ARG 46 8.757 -0.631 -14.876 348 HA ARG 46 HA ARG 46 10.437 1.495 -15.769 349 1HB ARG 46 2HB ARG 46 9.856 -1.139 -17.150 350 2HB ARG 46 1HB ARG 46 11.216 -0.067 -17.479 351 1HG ARG 46 2HG ARG 46 10.941 -0.800 -14.639 352 2HG ARG 46 1HG ARG 46 11.274 -2.166 -15.701 353 1HD ARG 46 2HD ARG 46 12.890 0.213 -16.302 354 2HD ARG 46 1HD ARG 46 13.175 -0.444 -14.694 355 HE ARG 46 HE ARG 46 13.879 -1.676 -17.218 356 1HH1 ARG 46 2HH1 ARG 46 13.158 -2.214 -13.840 357 2HH1 ARG 46 1HH1 ARG 46 14.023 -3.711 -13.767 358 1HH2 ARG 46 1HH2 ARG 46 15.006 -3.640 -17.094 359 2HH2 ARG 46 2HH2 ARG 46 15.065 -4.515 -15.601 360 H MET 47 H MET 47 7.396 0.129 -16.909 361 HA MET 47 HA MET 47 7.354 1.554 -19.410 362 1HB MET 47 2HB MET 47 5.297 0.025 -17.824 363 2HB MET 47 1HB MET 47 4.830 0.967 -19.240 364 1HG MET 47 2HG MET 47 7.078 -1.051 -19.338 365 2HG MET 47 1HG MET 47 5.402 -1.504 -19.646 366 1HE MET 47 1HE MET 47 8.356 -1.190 -21.744 367 2HE MET 47 2HE MET 47 8.509 0.103 -20.558 368 3HE MET 47 3HE MET 47 8.408 0.497 -22.272 369 H LEU 48 H LEU 48 6.288 2.172 -16.124 370 HA LEU 48 HA LEU 48 4.644 4.450 -16.701 371 1HB LEU 48 2HB LEU 48 5.781 3.166 -14.274 372 2HB LEU 48 1HB LEU 48 5.334 4.851 -14.141 373 HG LEU 48 HG LEU 48 3.061 4.399 -14.355 374 1HD1 LEU 48 1HD1 LEU 48 2.263 3.033 -15.955 375 2HD1 LEU 48 2HD1 LEU 48 2.932 1.628 -15.125 376 3HD1 LEU 48 3HD1 LEU 48 3.910 2.506 -16.298 377 1HD2 LEU 48 1HD2 LEU 48 3.223 3.420 -12.312 378 2HD2 LEU 48 2HD2 LEU 48 4.595 2.426 -12.798 379 3HD2 LEU 48 3HD2 LEU 48 2.952 1.906 -13.176 380 H GLY 49 H GLY 49 8.054 3.913 -16.223 381 1HA GLY 49 2HA GLY 49 9.553 5.607 -17.205 382 2HA GLY 49 1HA GLY 49 8.547 6.829 -16.435 383 H GLN 50 H GLN 50 9.422 3.831 -14.810 384 HA GLN 50 HA GLN 50 11.413 5.265 -13.165 385 1HB GLN 50 2HB GLN 50 9.388 3.392 -11.939 386 2HB GLN 50 1HB GLN 50 10.476 4.508 -11.120 387 1HG GLN 50 2HG GLN 50 8.301 5.444 -13.005 388 2HG GLN 50 1HG GLN 50 8.038 5.245 -11.274 389 1HE2 GLN 50 1HE2 GLN 50 8.227 7.747 -13.096 390 2HE2 GLN 50 2HE2 GLN 50 9.342 8.742 -12.289 391 H ASN 51 H ASN 51 13.174 4.085 -12.647 392 HA ASN 51 HA ASN 51 13.146 1.201 -13.341 393 1HB ASN 51 2HB ASN 51 14.551 2.891 -14.781 394 2HB ASN 51 1HB ASN 51 15.667 2.834 -13.418 395 1HD2 ASN 51 1HD2 ASN 51 15.273 1.456 -16.362 396 2HD2 ASN 51 2HD2 ASN 51 15.890 -0.095 -16.057 397 HA PRO 52 HA PRO 52 14.323 1.567 -8.897 398 1HB PRO 52 2HB PRO 52 12.529 -0.275 -7.975 399 2HB PRO 52 1HB PRO 52 12.135 1.431 -8.225 400 1HG PRO 52 2HG PRO 52 11.358 -0.933 -9.816 401 2HG PRO 52 1HG PRO 52 10.535 0.624 -9.636 402 1HD PRO 52 2HD PRO 52 12.138 -0.201 -11.839 403 2HD PRO 52 1HD PRO 52 11.504 1.434 -11.538 404 H THR 53 H THR 53 14.254 -0.712 -7.341 405 HA THR 53 HA THR 53 16.088 -2.561 -8.751 406 HB THR 53 HB THR 53 17.287 -2.835 -6.758 407 HG1 THR 53 HG1 THR 53 16.350 -2.891 -4.870 408 1HG2 THR 53 1HG2 THR 53 16.171 -0.029 -6.547 409 2HG2 THR 53 2HG2 THR 53 17.531 -0.521 -7.559 410 3HG2 THR 53 3HG2 THR 53 17.663 -0.603 -5.802 411 HA PRO 54 HA PRO 54 13.359 -5.922 -7.821 412 1HB PRO 54 2HB PRO 54 14.936 -7.869 -6.712 413 2HB PRO 54 1HB PRO 54 14.957 -7.436 -8.429 414 1HG PRO 54 2HG PRO 54 16.927 -6.803 -6.304 415 2HG PRO 54 1HG PRO 54 17.169 -7.006 -8.044 416 1HD PRO 54 2HD PRO 54 17.032 -4.553 -6.675 417 2HD PRO 54 1HD PRO 54 16.908 -4.764 -8.436 418 H GLU 55 H GLU 55 15.297 -4.851 -5.102 419 HA GLU 55 HA GLU 55 13.631 -6.106 -3.085 420 1HB GLU 55 2HB GLU 55 15.871 -4.077 -2.945 421 2HB GLU 55 1HB GLU 55 14.983 -4.628 -1.525 422 1HG GLU 55 2HG GLU 55 15.817 -6.803 -1.678 423 2HG GLU 55 1HG GLU 55 16.164 -6.656 -3.401 424 H GLU 56 H GLU 56 13.991 -2.951 -4.633 425 HA GLU 56 HA GLU 56 12.173 -1.568 -2.892 426 1HB GLU 56 2HB GLU 56 14.049 -0.651 -4.531 427 2HB GLU 56 1HB GLU 56 12.706 -0.608 -5.671 428 1HG GLU 56 2HG GLU 56 12.374 0.550 -2.911 429 2HG GLU 56 1HG GLU 56 13.165 1.491 -4.175 430 H LEU 57 H LEU 57 11.924 -2.918 -6.201 431 HA LEU 57 HA LEU 57 9.296 -2.146 -6.735 432 1HB LEU 57 2HB LEU 57 9.317 -3.597 -8.524 433 2HB LEU 57 1HB LEU 57 11.016 -3.280 -8.283 434 HG LEU 57 HG LEU 57 10.942 -5.508 -6.884 435 1HD1 LEU 57 1HD1 LEU 57 8.818 -6.339 -6.811 436 2HD1 LEU 57 2HD1 LEU 57 9.173 -6.911 -8.442 437 3HD1 LEU 57 3HD1 LEU 57 8.301 -5.395 -8.209 438 1HD2 LEU 57 1HD2 LEU 57 10.662 -5.586 -9.902 439 2HD2 LEU 57 2HD2 LEU 57 11.557 -6.719 -8.889 440 3HD2 LEU 57 3HD2 LEU 57 12.123 -5.059 -9.068 441 H GLN 58 H GLN 58 10.490 -5.022 -5.006 442 HA GLN 58 HA GLN 58 7.834 -6.097 -4.640 443 1HB GLN 58 2HB GLN 58 9.956 -7.482 -4.707 444 2HB GLN 58 1HB GLN 58 10.318 -6.860 -3.098 445 1HG GLN 58 2HG GLN 58 9.190 -8.971 -2.811 446 2HG GLN 58 1HG GLN 58 8.055 -7.703 -2.356 447 1HE2 GLN 58 1HE2 GLN 58 6.084 -7.587 -3.524 448 2HE2 GLN 58 2HE2 GLN 58 5.729 -8.556 -4.870 449 H GLU 59 H GLU 59 10.064 -4.098 -2.758 450 HA GLU 59 HA GLU 59 8.764 -4.252 -0.260 451 1HB GLU 59 2HB GLU 59 10.756 -2.485 -1.518 452 2HB GLU 59 1HB GLU 59 9.776 -1.708 -0.275 453 1HG GLU 59 2HG GLU 59 11.020 -4.411 0.204 454 2HG GLU 59 1HG GLU 59 11.939 -2.930 0.475 455 H MET 60 H MET 60 8.358 -1.922 -2.943 456 HA MET 60 HA MET 60 6.342 -0.399 -1.633 457 1HB MET 60 2HB MET 60 5.916 0.627 -3.794 458 2HB MET 60 1HB MET 60 7.655 0.471 -3.556 459 1HG MET 60 2HG MET 60 7.283 -1.842 -4.794 460 2HG MET 60 1HG MET 60 5.852 -1.028 -5.423 461 1HE MET 60 1HE MET 60 6.254 1.733 -5.797 462 2HE MET 60 2HE MET 60 5.843 0.778 -7.219 463 3HE MET 60 3HE MET 60 7.118 1.989 -7.319 464 H ILE 61 H ILE 61 6.289 -3.358 -3.483 465 HA ILE 61 HA ILE 61 3.482 -3.376 -4.049 466 HB ILE 61 HB ILE 61 5.564 -5.570 -3.983 467 1HG1 ILE 61 2HG1 ILE 61 4.040 -4.440 -6.329 468 2HG1 ILE 61 1HG1 ILE 61 5.528 -3.693 -5.748 469 1HG2 ILE 61 1HG2 ILE 61 2.821 -5.867 -5.194 470 2HG2 ILE 61 2HG2 ILE 61 3.080 -6.246 -3.492 471 3HG2 ILE 61 3HG2 ILE 61 3.971 -7.123 -4.733 472 1HD1 ILE 61 1HD1 ILE 61 6.215 -5.204 -7.455 473 2HD1 ILE 61 2HD1 ILE 61 5.155 -6.478 -6.856 474 3HD1 ILE 61 3HD1 ILE 61 6.587 -6.019 -5.938 475 H ASP 62 H ASP 62 5.509 -4.958 -1.574 476 HA ASP 62 HA ASP 62 3.433 -6.283 -0.210 477 1HB ASP 62 2HB ASP 62 6.183 -5.374 0.550 478 2HB ASP 62 1HB ASP 62 5.088 -5.927 1.817 479 H GLU 63 H GLU 63 4.600 -2.961 -0.014 480 HA GLU 63 HA GLU 63 3.069 -2.291 2.336 481 1HB GLU 63 2HB GLU 63 4.884 -0.883 0.475 482 2HB GLU 63 1HB GLU 63 3.627 0.114 1.206 483 1HG GLU 63 2HG GLU 63 4.942 -1.719 3.100 484 2HG GLU 63 1HG GLU 63 6.021 -0.508 2.408 485 H VAL 64 H VAL 64 2.650 -1.807 -1.178 486 HA VAL 64 HA VAL 64 0.211 -0.300 -0.857 487 HB VAL 64 HB VAL 64 1.697 0.017 -2.820 488 1HG1 VAL 64 1HG1 VAL 64 1.924 -1.617 -4.520 489 2HG1 VAL 64 2HG1 VAL 64 0.614 -2.601 -3.867 490 3HG1 VAL 64 3HG1 VAL 64 2.155 -2.506 -3.017 491 1HG2 VAL 64 1HG2 VAL 64 -1.028 0.122 -2.731 492 2HG2 VAL 64 2HG2 VAL 64 -0.791 -0.984 -4.083 493 3HG2 VAL 64 3HG2 VAL 64 -0.076 0.627 -4.128 494 H ASP 65 H ASP 65 0.991 -3.691 -1.575 495 HA ASP 65 HA ASP 65 -1.730 -4.433 -2.118 496 1HB ASP 65 2HB ASP 65 0.770 -5.659 -2.431 497 2HB ASP 65 1HB ASP 65 -0.059 -6.632 -1.220 498 H GLU 66 H GLU 66 -3.131 -4.027 -0.512 499 HA GLU 66 HA GLU 66 -2.641 -4.137 2.248 500 1HB GLU 66 2HB GLU 66 -5.109 -4.223 2.499 501 2HB GLU 66 1HB GLU 66 -4.586 -2.977 1.368 502 1HG GLU 66 2HG GLU 66 -5.110 -4.429 -0.531 503 2HG GLU 66 1HG GLU 66 -5.539 -5.744 0.562 504 H ASP 67 H ASP 67 -3.705 -6.646 0.009 505 HA ASP 67 HA ASP 67 -4.005 -8.568 2.199 506 1HB ASP 67 2HB ASP 67 -4.692 -10.127 0.291 507 2HB ASP 67 1HB ASP 67 -5.767 -8.774 0.638 508 H GLY 68 H GLY 68 -1.931 -7.915 -0.584 509 1HA GLY 68 2HA GLY 68 0.225 -8.622 -1.027 510 2HA GLY 68 1HA GLY 68 0.246 -9.391 0.556 511 H SER 69 H SER 69 -1.830 -9.861 -2.294 512 HA SER 69 HA SER 69 -1.560 -12.748 -2.045 513 1HB SER 69 2HB SER 69 -3.237 -12.807 -3.878 514 2HB SER 69 1HB SER 69 -3.770 -11.863 -2.492 515 HG SER 69 HG SER 69 -3.921 -10.230 -3.796 516 H GLY 70 H GLY 70 0.430 -10.534 -3.429 517 1HA GLY 70 2HA GLY 70 2.189 -10.834 -4.903 518 2HA GLY 70 1HA GLY 70 1.601 -12.464 -5.222 519 H THR 71 H THR 71 -0.740 -9.954 -5.487 520 HA THR 71 HA THR 71 -0.333 -9.607 -8.363 521 HB THR 71 HB THR 71 -2.547 -10.287 -8.973 522 HG1 THR 71 HG1 THR 71 -2.975 -10.692 -6.194 523 1HG2 THR 71 1HG2 THR 71 -2.574 -12.672 -8.293 524 2HG2 THR 71 2HG2 THR 71 -1.370 -12.319 -7.052 525 3HG2 THR 71 3HG2 THR 71 -0.957 -12.140 -8.758 526 H VAL 72 H VAL 72 -0.789 -7.577 -8.987 527 HA VAL 72 HA VAL 72 -1.956 -5.771 -6.980 528 HB VAL 72 HB VAL 72 -0.718 -4.944 -9.601 529 1HG1 VAL 72 1HG1 VAL 72 -0.336 -2.844 -8.367 530 2HG1 VAL 72 2HG1 VAL 72 -1.066 -3.554 -6.928 531 3HG1 VAL 72 3HG1 VAL 72 -2.047 -3.270 -8.366 532 1HG2 VAL 72 1HG2 VAL 72 0.990 -6.255 -8.493 533 2HG2 VAL 72 2HG2 VAL 72 0.629 -5.495 -6.941 534 3HG2 VAL 72 3HG2 VAL 72 1.367 -4.550 -8.235 535 H ASP 73 H ASP 73 -4.011 -5.240 -7.116 536 HA ASP 73 HA ASP 73 -5.542 -5.713 -9.551 537 1HB ASP 73 2HB ASP 73 -6.313 -4.650 -6.818 538 2HB ASP 73 1HB ASP 73 -7.451 -4.821 -8.155 539 H PHE 74 H PHE 74 -7.005 -3.867 -10.337 540 HA PHE 74 HA PHE 74 -5.398 -1.707 -11.136 541 1HB PHE 74 2HB PHE 74 -7.591 -2.521 -12.200 542 2HB PHE 74 1HB PHE 74 -8.398 -1.483 -11.021 543 HD1 PHE 74 HD1 PHE 74 -5.189 -1.095 -12.909 544 HD2 PHE 74 HD2 PHE 74 -9.129 0.442 -12.151 545 HE1 PHE 74 HE1 PHE 74 -4.709 0.860 -14.353 546 HE2 PHE 74 HE2 PHE 74 -8.638 2.406 -13.588 547 HZ PHE 74 HZ PHE 74 -6.428 2.611 -14.688 548 H ASP 75 H ASP 75 -7.520 -2.064 -8.340 549 HA ASP 75 HA ASP 75 -7.518 0.693 -7.580 550 1HB ASP 75 2HB ASP 75 -9.089 -1.163 -6.723 551 2HB ASP 75 1HB ASP 75 -7.768 -1.610 -5.643 552 H GLU 76 H GLU 76 -5.540 -2.126 -6.680 553 HA GLU 76 HA GLU 76 -3.840 -0.717 -4.858 554 1HB GLU 76 2HB GLU 76 -3.251 -3.273 -6.379 555 2HB GLU 76 1HB GLU 76 -2.416 -2.694 -4.939 556 1HG GLU 76 2HG GLU 76 -4.505 -2.873 -3.641 557 2HG GLU 76 1HG GLU 76 -5.359 -3.427 -5.081 558 H PHE 77 H PHE 77 -3.861 -1.257 -8.316 559 HA PHE 77 HA PHE 77 -1.174 -0.593 -8.900 560 1HB PHE 77 2HB PHE 77 -3.229 -1.579 -10.355 561 2HB PHE 77 1HB PHE 77 -3.296 0.100 -10.863 562 HD1 PHE 77 HD1 PHE 77 -2.802 -0.904 -13.126 563 HD2 PHE 77 HD2 PHE 77 0.037 -0.992 -9.897 564 HE1 PHE 77 HE1 PHE 77 -0.971 -1.317 -14.735 565 HE2 PHE 77 HE2 PHE 77 1.859 -1.389 -11.516 566 HZ PHE 77 HZ PHE 77 1.359 -1.560 -13.937 567 H LEU 78 H LEU 78 -4.160 1.350 -9.126 568 HA LEU 78 HA LEU 78 -2.812 3.792 -9.743 569 1HB LEU 78 2HB LEU 78 -5.593 3.046 -8.951 570 2HB LEU 78 1HB LEU 78 -5.116 4.733 -8.895 571 HG LEU 78 HG LEU 78 -4.702 4.764 -11.265 572 1HD1 LEU 78 1HD1 LEU 78 -4.814 2.813 -12.668 573 2HD1 LEU 78 2HD1 LEU 78 -5.370 1.812 -11.327 574 3HD1 LEU 78 3HD1 LEU 78 -3.721 2.436 -11.338 575 1HD2 LEU 78 1HD2 LEU 78 -6.999 5.096 -10.866 576 2HD2 LEU 78 2HD2 LEU 78 -7.253 3.417 -10.394 577 3HD2 LEU 78 3HD2 LEU 78 -6.978 3.826 -12.088 578 H VAL 79 H VAL 79 -3.847 2.252 -6.749 579 HA VAL 79 HA VAL 79 -3.632 4.453 -5.003 580 HB VAL 79 HB VAL 79 -3.633 1.491 -4.720 581 1HG1 VAL 79 1HG1 VAL 79 -2.588 3.337 -2.554 582 2HG1 VAL 79 2HG1 VAL 79 -1.703 2.026 -3.335 583 3HG1 VAL 79 3HG1 VAL 79 -3.081 1.663 -2.295 584 1HG2 VAL 79 1HG2 VAL 79 -5.636 3.057 -4.598 585 2HG2 VAL 79 2HG2 VAL 79 -4.972 3.652 -3.077 586 3HG2 VAL 79 3HG2 VAL 79 -5.450 1.961 -3.228 587 H MET 80 H MET 80 -1.245 2.026 -6.017 588 HA MET 80 HA MET 80 0.966 2.666 -4.532 589 1HB MET 80 2HB MET 80 0.480 1.176 -6.841 590 2HB MET 80 1HB MET 80 1.708 2.343 -7.326 591 1HG MET 80 2HG MET 80 3.097 1.694 -5.392 592 2HG MET 80 1HG MET 80 1.868 0.529 -4.900 593 1HE MET 80 1HE MET 80 1.850 -2.266 -6.603 594 2HE MET 80 2HE MET 80 1.277 -1.365 -8.005 595 3HE MET 80 3HE MET 80 0.782 -0.872 -6.387 596 H MET 81 H MET 81 -0.445 4.574 -7.142 597 HA MET 81 HA MET 81 1.774 6.254 -7.681 598 1HB MET 81 2HB MET 81 -0.287 6.090 -9.106 599 2HB MET 81 1HB MET 81 -1.154 7.003 -7.872 600 1HG MET 81 2HG MET 81 -0.217 8.966 -8.509 601 2HG MET 81 1HG MET 81 1.387 8.250 -8.656 602 1HE MET 81 1HE MET 81 2.503 7.741 -11.093 603 2HE MET 81 2HE MET 81 1.512 6.624 -12.028 604 3HE MET 81 3HE MET 81 1.743 6.353 -10.301 605 H VAL 82 H VAL 82 -1.101 6.827 -5.630 606 HA VAL 82 HA VAL 82 -0.105 9.252 -4.507 607 HB VAL 82 HB VAL 82 -1.921 8.995 -2.844 608 1HG1 VAL 82 1HG1 VAL 82 -2.587 8.445 -5.746 609 2HG1 VAL 82 2HG1 VAL 82 -2.501 10.014 -4.945 610 3HG1 VAL 82 3HG1 VAL 82 -3.798 8.888 -4.542 611 1HG2 VAL 82 1HG2 VAL 82 -3.327 7.067 -2.793 612 2HG2 VAL 82 2HG2 VAL 82 -1.678 6.441 -2.783 613 3HG2 VAL 82 3HG2 VAL 82 -2.620 6.422 -4.275 614 H ARG 83 H ARG 83 0.200 5.865 -3.623 615 HA ARG 83 HA ARG 83 1.077 6.133 -0.959 616 1HB ARG 83 2HB ARG 83 1.842 4.064 -3.039 617 2HB ARG 83 1HB ARG 83 2.205 3.940 -1.319 618 1HG ARG 83 2HG ARG 83 -0.358 4.296 -0.990 619 2HG ARG 83 1HG ARG 83 -0.474 3.840 -2.690 620 1HD ARG 83 2HD ARG 83 -0.675 1.770 -1.668 621 2HD ARG 83 1HD ARG 83 1.054 1.831 -1.966 622 HE ARG 83 HE ARG 83 -0.282 2.142 0.637 623 1HH1 ARG 83 2HH1 ARG 83 2.671 2.018 -1.239 624 2HH1 ARG 83 1HH1 ARG 83 3.679 1.784 0.144 625 1HH2 ARG 83 1HH2 ARG 83 1.063 1.816 2.420 626 2HH2 ARG 83 2HH2 ARG 83 2.775 1.673 2.206 627 H CYS 84 H CYS 84 2.833 6.227 -4.039 628 HA CYS 84 HA CYS 84 5.451 6.411 -2.943 629 1HB CYS 84 2HB CYS 84 4.254 7.075 -5.619 630 2HB CYS 84 1HB CYS 84 5.922 7.518 -5.254 631 HG CYS 84 HG CYS 84 6.597 5.107 -5.277 632 H MET 85 H MET 85 3.026 8.833 -3.842 633 HA MET 85 HA MET 85 4.710 11.108 -3.441 634 1HB MET 85 2HB MET 85 1.781 10.663 -3.819 635 2HB MET 85 1HB MET 85 2.309 12.206 -3.147 636 1HG MET 85 2HG MET 85 3.661 12.687 -5.056 637 2HG MET 85 1HG MET 85 3.517 11.037 -5.661 638 1HE MET 85 1HE MET 85 2.148 14.231 -4.786 639 2HE MET 85 2HE MET 85 0.467 13.784 -4.504 640 3HE MET 85 3HE MET 85 0.910 14.619 -5.989 641 H LYS 86 H LYS 86 2.088 9.688 -1.446 642 HA LYS 86 HA LYS 86 3.452 10.762 0.942 643 1HB LYS 86 2HB LYS 86 1.433 12.178 0.122 644 2HB LYS 86 1HB LYS 86 0.454 10.847 0.736 645 1HG LYS 86 2HG LYS 86 2.595 11.838 2.545 646 2HG LYS 86 1HG LYS 86 1.232 12.925 2.282 647 1HD LYS 86 2HD LYS 86 -0.243 10.834 2.747 648 2HD LYS 86 1HD LYS 86 1.222 10.146 3.448 649 1HE LYS 86 2HE LYS 86 0.351 12.903 4.266 650 2HE LYS 86 1HE LYS 86 -0.439 11.496 4.977 651 1HZ LYS 86 1HZ LYS 86 1.446 12.207 6.304 652 2HZ LYS 86 2HZ LYS 86 2.486 12.027 4.973 653 3HZ LYS 86 3HZ LYS 86 1.729 10.666 5.655 654 H ASP 87 H ASP 87 3.961 9.089 2.160 655 HA ASP 87 HA ASP 87 2.053 7.341 3.278 656 1HB ASP 87 2HB ASP 87 2.233 6.352 0.927 657 2HB ASP 87 1HB ASP 87 3.881 5.889 1.358 658 H ASP 88 H ASP 88 3.248 8.317 5.013 659 HA ASP 88 HA ASP 88 6.027 7.788 5.436 660 1HB ASP 88 2HB ASP 88 3.786 8.757 7.202 661 2HB ASP 88 1HB ASP 88 5.370 8.375 7.879 662 H SER 89 HN SER 89 3.023 6.314 6.644 663 HA SER 89 HA SER 89 4.605 4.031 7.654 664 1HB SER 89 2HB SER 89 2.487 3.527 8.978 665 2HB SER 89 1HB SER 89 3.387 4.956 9.473 666 HG SER 89 HG SER 89 1.184 5.433 9.284 Start of MODEL 26 1 1H MET 1 1H MET 1 -8.604 4.885 9.795 2 2H MET 1 2H MET 1 -8.925 4.441 8.186 3 3H MET 1 3H MET 1 -8.368 6.007 8.545 4 HA MET 1 HA MET 1 -6.267 5.053 9.365 5 1HB MET 1 2HB MET 1 -7.642 2.533 8.414 6 2HB MET 1 1HB MET 1 -5.886 2.639 8.535 7 1HG MET 1 2HG MET 1 -6.293 3.469 10.950 8 2HG MET 1 1HG MET 1 -7.932 2.850 10.745 9 1HE MET 1 1HE MET 1 -7.121 1.675 12.944 10 2HE MET 1 2HE MET 1 -6.878 -0.063 12.797 11 3HE MET 1 3HE MET 1 -8.293 0.686 12.063 12 H ASN 2 H ASN 2 -5.419 6.455 7.899 13 HA ASN 2 HA ASN 2 -4.578 7.278 5.929 14 1HB ASN 2 2HB ASN 2 -4.507 4.307 5.387 15 2HB ASN 2 1HB ASN 2 -3.892 5.487 4.232 16 1HD2 ASN 2 1HD2 ASN 2 -2.371 7.239 5.448 17 2HD2 ASN 2 2HD2 ASN 2 -1.232 6.552 6.501 18 H ASP 3 H ASP 3 -6.867 8.140 5.790 19 HA ASP 3 HA ASP 3 -8.513 6.947 3.691 20 1HB ASP 3 2HB ASP 3 -10.153 8.652 4.249 21 2HB ASP 3 1HB ASP 3 -9.580 7.887 5.728 22 H ILE 4 H ILE 4 -6.061 9.350 3.950 23 HA ILE 4 HA ILE 4 -6.813 11.201 2.002 24 HB ILE 4 HB ILE 4 -4.496 11.809 1.774 25 1HG1 ILE 4 2HG1 ILE 4 -3.680 9.382 1.595 26 2HG1 ILE 4 1HG1 ILE 4 -2.651 10.488 2.496 27 1HG2 ILE 4 1HG2 ILE 4 -4.985 10.922 4.630 28 2HG2 ILE 4 2HG2 ILE 4 -5.680 12.368 3.896 29 3HG2 ILE 4 3HG2 ILE 4 -3.933 12.232 4.093 30 1HD1 ILE 4 1HD1 ILE 4 -4.394 8.267 3.521 31 2HD1 ILE 4 2HD1 ILE 4 -4.032 9.636 4.572 32 3HD1 ILE 4 3HD1 ILE 4 -2.722 8.650 3.927 33 H TYR 5 H TYR 5 -5.461 7.982 1.621 34 HA TYR 5 HA TYR 5 -4.811 8.202 -1.150 35 1HB TYR 5 2HB TYR 5 -5.477 5.735 0.479 36 2HB TYR 5 1HB TYR 5 -4.742 5.736 -1.123 37 HD1 TYR 5 HD1 TYR 5 -2.522 7.048 -1.413 38 HD2 TYR 5 HD2 TYR 5 -4.134 5.913 2.403 39 HE1 TYR 5 HE1 TYR 5 -0.292 7.351 -0.382 40 HE2 TYR 5 HE2 TYR 5 -1.897 6.206 3.432 41 HH TYR 5 HH TYR 5 0.778 6.135 2.065 42 H LYS 6 H LYS 6 -7.695 7.149 0.624 43 HA LYS 6 HA LYS 6 -9.169 6.307 -1.680 44 1HB LYS 6 2HB LYS 6 -9.891 6.919 1.172 45 2HB LYS 6 1HB LYS 6 -11.155 6.658 -0.029 46 1HG LYS 6 2HG LYS 6 -10.887 4.460 0.497 47 2HG LYS 6 1HG LYS 6 -9.485 4.559 -0.566 48 1HD LYS 6 2HD LYS 6 -8.964 5.478 2.185 49 2HD LYS 6 1HD LYS 6 -9.396 3.774 2.069 50 1HE LYS 6 2HE LYS 6 -7.459 4.744 0.042 51 2HE LYS 6 1HE LYS 6 -6.869 4.698 1.702 52 1HZ LYS 6 1HZ LYS 6 -8.140 2.432 0.261 53 2HZ LYS 6 2HZ LYS 6 -7.551 2.392 1.855 54 3HZ LYS 6 3HZ LYS 6 -6.478 2.606 0.556 55 H ALA 7 H ALA 7 -8.683 9.374 -0.052 56 HA ALA 7 HA ALA 7 -10.900 10.761 -1.198 57 1HB ALA 7 1HB ALA 7 -10.012 12.692 -0.234 58 2HB ALA 7 2HB ALA 7 -8.348 12.129 -0.398 59 3HB ALA 7 3HB ALA 7 -9.401 11.424 0.828 60 H ALA 8 H ALA 8 -7.648 10.028 -2.307 61 HA ALA 8 HA ALA 8 -7.732 11.940 -4.490 62 1HB ALA 8 1HB ALA 8 -5.585 11.359 -3.452 63 2HB ALA 8 2HB ALA 8 -5.595 10.917 -5.160 64 3HB ALA 8 3HB ALA 8 -5.807 9.674 -3.926 65 H VAL 9 H VAL 9 -8.022 8.415 -4.105 66 HA VAL 9 HA VAL 9 -8.251 7.818 -6.869 67 HB VAL 9 HB VAL 9 -7.734 6.146 -5.064 68 1HG1 VAL 9 1HG1 VAL 9 -10.726 6.319 -4.589 69 2HG1 VAL 9 2HG1 VAL 9 -9.473 6.827 -3.459 70 3HG1 VAL 9 3HG1 VAL 9 -9.641 5.124 -3.878 71 1HG2 VAL 9 1HG2 VAL 9 -8.686 4.356 -6.268 72 2HG2 VAL 9 2HG2 VAL 9 -8.634 5.660 -7.454 73 3HG2 VAL 9 3HG2 VAL 9 -10.150 5.266 -6.642 74 H GLU 10 H GLU 10 -10.547 9.074 -4.563 75 HA GLU 10 HA GLU 10 -12.868 8.360 -6.133 76 1HB GLU 10 2HB GLU 10 -14.146 9.583 -4.482 77 2HB GLU 10 1HB GLU 10 -12.956 8.579 -3.654 78 1HG GLU 10 2HG GLU 10 -11.764 10.373 -2.895 79 2HG GLU 10 1HG GLU 10 -12.059 11.321 -4.349 80 H GLN 11 H GLN 11 -10.565 10.948 -6.131 81 HA GLN 11 HA GLN 11 -12.259 12.378 -8.084 82 1HB GLN 11 2HB GLN 11 -11.609 14.530 -7.198 83 2HB GLN 11 1HB GLN 11 -12.301 13.573 -5.890 84 1HG GLN 11 2HG GLN 11 -9.920 12.889 -5.291 85 2HG GLN 11 1HG GLN 11 -9.371 14.125 -6.422 86 1HE2 GLN 11 1HE2 GLN 11 -9.370 13.899 -3.296 87 2HE2 GLN 11 2HE2 GLN 11 -9.987 15.402 -2.808 88 H LEU 12 H LEU 12 -10.016 10.468 -8.392 89 HA LEU 12 HA LEU 12 -7.688 11.957 -9.185 90 1HB LEU 12 2HB LEU 12 -7.202 9.724 -10.452 91 2HB LEU 12 1HB LEU 12 -7.077 9.806 -8.712 92 HG LEU 12 HG LEU 12 -9.178 8.654 -8.447 93 1HD1 LEU 12 1HD1 LEU 12 -10.584 9.462 -10.152 94 2HD1 LEU 12 2HD1 LEU 12 -10.284 7.793 -10.637 95 3HD1 LEU 12 3HD1 LEU 12 -9.406 9.108 -11.416 96 1HD2 LEU 12 1HD2 LEU 12 -7.468 7.371 -10.599 97 2HD2 LEU 12 2HD2 LEU 12 -8.638 6.516 -9.594 98 3HD2 LEU 12 3HD2 LEU 12 -7.212 7.247 -8.859 99 H THR 13 H THR 13 -6.820 11.504 -11.528 100 HA THR 13 HA THR 13 -8.823 12.639 -13.346 101 HB THR 13 HB THR 13 -6.556 12.543 -14.832 102 HG1 THR 13 HG1 THR 13 -5.095 11.855 -13.457 103 1HG2 THR 13 1HG2 THR 13 -7.540 14.618 -14.689 104 2HG2 THR 13 2HG2 THR 13 -6.137 14.889 -13.656 105 3HG2 THR 13 3HG2 THR 13 -7.710 14.539 -12.936 106 H ASP 14 H ASP 14 -8.794 11.885 -15.623 107 HA ASP 14 HA ASP 14 -9.285 9.058 -15.749 108 1HB ASP 14 2HB ASP 14 -10.446 10.910 -17.113 109 2HB ASP 14 1HB ASP 14 -9.006 10.890 -18.131 110 H GLU 15 H GLU 15 -6.650 11.208 -16.554 111 HA GLU 15 HA GLU 15 -5.160 9.416 -18.200 112 1HB GLU 15 2HB GLU 15 -3.353 10.981 -17.974 113 2HB GLU 15 1HB GLU 15 -4.845 11.910 -18.095 114 1HG GLU 15 2HG GLU 15 -4.889 12.271 -15.700 115 2HG GLU 15 1HG GLU 15 -3.519 11.187 -15.467 116 H GLN 16 H GLN 16 -5.403 9.931 -14.741 117 HA GLN 16 HA GLN 16 -3.067 8.509 -13.952 118 1HB GLN 16 2HB GLN 16 -4.983 10.002 -12.638 119 2HB GLN 16 1HB GLN 16 -5.327 8.363 -12.085 120 1HG GLN 16 2HG GLN 16 -2.617 8.367 -11.902 121 2HG GLN 16 1HG GLN 16 -2.954 10.069 -11.584 122 1HE2 GLN 16 1HE2 GLN 16 -4.948 10.338 -9.959 123 2HE2 GLN 16 2HE2 GLN 16 -4.911 9.307 -8.610 124 H LYS 17 H LYS 17 -6.476 7.585 -14.325 125 HA LYS 17 HA LYS 17 -6.141 4.871 -13.510 126 1HB LYS 17 2HB LYS 17 -8.284 6.066 -15.289 127 2HB LYS 17 1HB LYS 17 -8.360 4.503 -14.477 128 1HG LYS 17 2HG LYS 17 -8.857 5.431 -12.459 129 2HG LYS 17 1HG LYS 17 -7.752 6.784 -12.698 130 1HD LYS 17 2HD LYS 17 -9.901 7.779 -12.732 131 2HD LYS 17 1HD LYS 17 -9.463 7.637 -14.433 132 1HE LYS 17 2HE LYS 17 -10.832 5.270 -13.309 133 2HE LYS 17 1HE LYS 17 -11.817 6.730 -13.380 134 1HZ LYS 17 1HZ LYS 17 -10.416 5.378 -15.612 135 2HZ LYS 17 2HZ LYS 17 -11.049 6.948 -15.744 136 3HZ LYS 17 3HZ LYS 17 -12.082 5.636 -15.434 137 H ASN 18 H ASN 18 -6.209 6.497 -16.678 138 HA ASN 18 HA ASN 18 -5.996 4.140 -18.251 139 1HB ASN 18 2HB ASN 18 -5.515 7.054 -18.753 140 2HB ASN 18 1HB ASN 18 -4.952 5.875 -19.939 141 1HD2 ASN 18 1HD2 ASN 18 -7.372 7.887 -19.793 142 2HD2 ASN 18 2HD2 ASN 18 -8.678 6.930 -20.302 143 H GLU 19 H GLU 19 -3.580 6.250 -16.770 144 HA GLU 19 HA GLU 19 -1.267 5.398 -18.064 145 1HB GLU 19 2HB GLU 19 -1.398 7.248 -16.381 146 2HB GLU 19 1HB GLU 19 -1.499 6.029 -15.111 147 1HG GLU 19 2HG GLU 19 0.777 6.252 -15.101 148 2HG GLU 19 1HG GLU 19 0.678 5.125 -16.453 149 H PHE 20 H PHE 20 -2.839 4.007 -15.182 150 HA PHE 20 HA PHE 20 -0.969 1.779 -15.113 151 1HB PHE 20 2HB PHE 20 -3.313 2.616 -13.429 152 2HB PHE 20 1HB PHE 20 -2.600 1.015 -13.261 153 HD1 PHE 20 HD1 PHE 20 -2.210 4.568 -12.603 154 HD2 PHE 20 HD2 PHE 20 -0.170 0.786 -12.633 155 HE1 PHE 20 HE1 PHE 20 -0.419 5.518 -11.184 156 HE2 PHE 20 HE2 PHE 20 1.609 1.732 -11.202 157 HZ PHE 20 HZ PHE 20 1.492 4.103 -10.478 158 H LYS 21 H LYS 21 -4.432 2.279 -15.802 159 HA LYS 21 HA LYS 21 -5.223 -0.368 -16.141 160 1HB LYS 21 2HB LYS 21 -6.766 1.576 -16.125 161 2HB LYS 21 1HB LYS 21 -6.215 1.997 -17.744 162 1HG LYS 21 2HG LYS 21 -7.050 -0.819 -17.431 163 2HG LYS 21 1HG LYS 21 -8.347 0.356 -17.215 164 1HD LYS 21 2HD LYS 21 -6.521 0.795 -19.527 165 2HD LYS 21 1HD LYS 21 -7.630 -0.571 -19.642 166 1HE LYS 21 2HE LYS 21 -9.526 0.785 -19.552 167 2HE LYS 21 1HE LYS 21 -8.672 2.097 -18.740 168 1HZ LYS 21 1HZ LYS 21 -9.159 2.567 -21.091 169 2HZ LYS 21 2HZ LYS 21 -8.186 1.250 -21.545 170 3HZ LYS 21 3HZ LYS 21 -7.497 2.588 -20.755 171 H ALA 22 H ALA 22 -3.563 1.761 -18.440 172 HA ALA 22 HA ALA 22 -3.857 0.185 -20.758 173 1HB ALA 22 1HB ALA 22 -1.546 1.967 -19.945 174 2HB ALA 22 2HB ALA 22 -2.970 2.469 -20.858 175 3HB ALA 22 3HB ALA 22 -1.820 1.338 -21.570 176 H ALA 23 H ALA 23 -1.161 0.313 -18.430 177 HA ALA 23 HA ALA 23 0.243 -1.914 -19.518 178 1HB ALA 23 1HB ALA 23 1.790 -1.519 -17.878 179 2HB ALA 23 2HB ALA 23 0.566 -1.279 -16.632 180 3HB ALA 23 3HB ALA 23 0.934 0.018 -17.768 181 H PHE 24 H PHE 24 -2.173 -1.506 -16.996 182 HA PHE 24 HA PHE 24 -2.059 -4.062 -15.817 183 1HB PHE 24 2HB PHE 24 -3.350 -1.967 -15.043 184 2HB PHE 24 1HB PHE 24 -4.609 -2.487 -16.160 185 HD1 PHE 24 HD1 PHE 24 -5.561 -4.854 -15.900 186 HD2 PHE 24 HD2 PHE 24 -3.130 -2.961 -12.912 187 HE1 PHE 24 HE1 PHE 24 -6.397 -6.453 -14.202 188 HE2 PHE 24 HE2 PHE 24 -3.968 -4.554 -11.216 189 HZ PHE 24 HZ PHE 24 -5.606 -6.295 -11.858 190 H ASP 25 H ASP 25 -4.010 -2.829 -18.535 191 HA ASP 25 HA ASP 25 -5.482 -5.213 -18.972 192 1HB ASP 25 2HB ASP 25 -5.872 -2.792 -19.875 193 2HB ASP 25 1HB ASP 25 -4.847 -3.320 -21.209 194 H ILE 26 H ILE 26 -2.395 -4.083 -20.308 195 HA ILE 26 HA ILE 26 -2.218 -6.219 -22.230 196 HB ILE 26 HB ILE 26 0.119 -5.435 -22.570 197 1HG1 ILE 26 2HG1 ILE 26 -0.578 -3.363 -20.465 198 2HG1 ILE 26 1HG1 ILE 26 0.479 -4.740 -20.172 199 1HG2 ILE 26 1HG2 ILE 26 -1.974 -3.240 -22.457 200 2HG2 ILE 26 2HG2 ILE 26 -1.783 -4.402 -23.768 201 3HG2 ILE 26 3HG2 ILE 26 -0.515 -3.220 -23.446 202 1HD1 ILE 26 1HD1 ILE 26 2.034 -3.964 -21.879 203 2HD1 ILE 26 2HD1 ILE 26 1.737 -2.659 -20.729 204 3HD1 ILE 26 3HD1 ILE 26 0.949 -2.641 -22.307 205 H PHE 27 H PHE 27 -0.970 -5.688 -18.961 206 HA PHE 27 HA PHE 27 0.728 -8.009 -18.978 207 1HB PHE 27 2HB PHE 27 -0.338 -6.413 -16.635 208 2HB PHE 27 1HB PHE 27 0.933 -7.631 -16.549 209 HD1 PHE 27 HD1 PHE 27 1.111 -4.609 -15.832 210 HD2 PHE 27 HD2 PHE 27 2.116 -6.837 -19.368 211 HE1 PHE 27 HE1 PHE 27 2.779 -2.883 -16.457 212 HE2 PHE 27 HE2 PHE 27 3.785 -5.109 -19.982 213 HZ PHE 27 HZ PHE 27 4.114 -3.135 -18.525 214 H ILE 28 H ILE 28 -2.593 -7.346 -17.899 215 HA ILE 28 HA ILE 28 -2.852 -10.112 -16.941 216 HB ILE 28 HB ILE 28 -4.972 -9.497 -16.021 217 1HG1 ILE 28 2HG1 ILE 28 -5.499 -6.862 -16.467 218 2HG1 ILE 28 1HG1 ILE 28 -4.796 -7.315 -18.020 219 1HG2 ILE 28 1HG2 ILE 28 -2.971 -8.697 -14.797 220 2HG2 ILE 28 2HG2 ILE 28 -4.361 -7.638 -14.555 221 3HG2 ILE 28 3HG2 ILE 28 -3.072 -7.164 -15.660 222 1HD1 ILE 28 1HD1 ILE 28 -7.385 -7.638 -17.577 223 2HD1 ILE 28 2HD1 ILE 28 -6.844 -9.122 -16.791 224 3HD1 ILE 28 3HD1 ILE 28 -6.475 -8.841 -18.494 225 H GLN 29 H GLN 29 -2.937 -8.752 -19.900 226 HA GLN 29 HA GLN 29 -5.320 -9.422 -21.144 227 1HB GLN 29 2HB GLN 29 -3.550 -8.228 -22.314 228 2HB GLN 29 1HB GLN 29 -2.496 -9.639 -22.224 229 1HG GLN 29 2HG GLN 29 -3.976 -10.915 -23.649 230 2HG GLN 29 1HG GLN 29 -5.186 -9.632 -23.619 231 1HE2 GLN 29 1HE2 GLN 29 -4.266 -7.397 -24.455 232 2HE2 GLN 29 2HE2 GLN 29 -3.242 -7.481 -25.806 233 H ASP 30 H ASP 30 -2.571 -11.499 -20.346 234 HA ASP 30 HA ASP 30 -4.029 -13.854 -21.363 235 1HB ASP 30 2HB ASP 30 -1.859 -15.032 -21.174 236 2HB ASP 30 1HB ASP 30 -1.755 -13.619 -22.222 237 H ALA 31 H ALA 31 -4.322 -12.324 -18.662 238 HA ALA 31 HA ALA 31 -3.742 -14.526 -16.803 239 1HB ALA 31 1HB ALA 31 -3.059 -12.184 -16.206 240 2HB ALA 31 2HB ALA 31 -4.132 -12.941 -15.028 241 3HB ALA 31 3HB ALA 31 -4.770 -11.752 -16.163 242 H GLU 32 H GLU 32 -5.356 -15.262 -15.341 243 HA GLU 32 HA GLU 32 -8.130 -14.926 -16.326 244 1HB GLU 32 2HB GLU 32 -8.545 -17.272 -15.632 245 2HB GLU 32 1HB GLU 32 -7.327 -17.158 -16.901 246 1HG GLU 32 2HG GLU 32 -5.553 -17.252 -15.119 247 2HG GLU 32 1HG GLU 32 -6.825 -17.544 -13.934 248 H ASP 33 H ASP 33 -6.954 -13.299 -14.325 249 HA ASP 33 HA ASP 33 -8.647 -14.032 -12.028 250 1HB ASP 33 2HB ASP 33 -6.043 -14.512 -11.791 251 2HB ASP 33 1HB ASP 33 -6.001 -12.783 -11.445 252 H GLY 34 H GLY 34 -6.591 -11.494 -13.463 253 1HA GLY 34 2HA GLY 34 -7.528 -9.348 -14.079 254 2HA GLY 34 1HA GLY 34 -8.650 -9.501 -12.728 255 H CYS 35 H CYS 35 -5.150 -10.076 -12.834 256 HA CYS 35 HA CYS 35 -4.500 -7.652 -11.400 257 1HB CYS 35 2HB CYS 35 -3.517 -8.894 -9.443 258 2HB CYS 35 1HB CYS 35 -5.278 -8.899 -9.495 259 HG CYS 35 HG CYS 35 -4.316 -11.355 -10.907 260 H ILE 36 H ILE 36 -2.226 -7.308 -11.236 261 HA ILE 36 HA ILE 36 -0.705 -8.894 -13.187 262 HB ILE 36 HB ILE 36 0.886 -7.110 -13.242 263 1HG1 ILE 36 2HG1 ILE 36 0.036 -5.106 -11.521 264 2HG1 ILE 36 1HG1 ILE 36 -0.178 -6.567 -10.556 265 1HG2 ILE 36 1HG2 ILE 36 -1.288 -6.688 -14.386 266 2HG2 ILE 36 2HG2 ILE 36 -0.502 -5.201 -13.856 267 3HG2 ILE 36 3HG2 ILE 36 -1.859 -5.856 -12.940 268 1HD1 ILE 36 1HD1 ILE 36 2.135 -7.220 -10.930 269 2HD1 ILE 36 2HD1 ILE 36 2.112 -5.562 -10.338 270 3HD1 ILE 36 3HD1 ILE 36 2.370 -5.879 -12.053 271 H SER 37 H SER 37 1.709 -9.177 -12.586 272 HA SER 37 HA SER 37 1.767 -10.590 -10.020 273 1HB SER 37 2HB SER 37 2.743 -11.314 -12.446 274 2HB SER 37 1HB SER 37 4.180 -10.584 -11.736 275 HG SER 37 HG SER 37 4.100 -12.737 -11.140 276 H THR 38 H THR 38 2.355 -9.467 -8.290 277 HA THR 38 HA THR 38 3.573 -6.970 -8.186 278 HB THR 38 HB THR 38 4.159 -7.506 -5.835 279 HG1 THR 38 HG1 THR 38 4.169 -9.511 -5.150 280 1HG2 THR 38 1HG2 THR 38 1.465 -8.127 -6.979 281 2HG2 THR 38 2HG2 THR 38 1.960 -6.791 -5.940 282 3HG2 THR 38 3HG2 THR 38 1.738 -8.402 -5.260 283 H LYS 39 H LYS 39 5.077 -10.182 -8.087 284 HA LYS 39 HA LYS 39 7.742 -9.284 -7.680 285 1HB LYS 39 2HB LYS 39 8.409 -11.545 -8.463 286 2HB LYS 39 1HB LYS 39 7.157 -11.599 -7.224 287 1HG LYS 39 2HG LYS 39 5.893 -11.419 -9.800 288 2HG LYS 39 1HG LYS 39 7.075 -12.726 -9.840 289 1HD LYS 39 2HD LYS 39 5.157 -12.444 -7.529 290 2HD LYS 39 1HD LYS 39 4.678 -13.276 -9.007 291 1HE LYS 39 2HE LYS 39 7.271 -14.003 -7.674 292 2HE LYS 39 1HE LYS 39 5.758 -14.651 -7.046 293 1HZ LYS 39 1HZ LYS 39 6.766 -14.917 -9.828 294 2HZ LYS 39 2HZ LYS 39 5.254 -15.473 -9.286 295 3HZ LYS 39 3HZ LYS 39 6.684 -16.149 -8.665 296 H GLU 40 H GLU 40 5.747 -9.562 -10.547 297 HA GLU 40 HA GLU 40 8.081 -8.926 -12.245 298 1HB GLU 40 2HB GLU 40 5.339 -9.978 -12.985 299 2HB GLU 40 1HB GLU 40 6.596 -9.553 -14.145 300 1HG GLU 40 2HG GLU 40 8.047 -11.277 -13.364 301 2HG GLU 40 1HG GLU 40 7.070 -11.544 -11.919 302 H LEU 41 H LEU 41 6.663 -7.010 -10.476 303 HA LEU 41 HA LEU 41 4.987 -5.350 -12.088 304 1HB LEU 41 2HB LEU 41 5.204 -5.460 -9.506 305 2HB LEU 41 1HB LEU 41 6.527 -4.335 -9.731 306 HG LEU 41 HG LEU 41 4.077 -3.549 -11.141 307 1HD1 LEU 41 1HD1 LEU 41 3.344 -2.721 -8.656 308 2HD1 LEU 41 2HD1 LEU 41 4.003 -4.311 -8.281 309 3HD1 LEU 41 3HD1 LEU 41 2.685 -4.153 -9.441 310 1HD2 LEU 41 1HD2 LEU 41 6.017 -2.271 -9.196 311 2HD2 LEU 41 2HD2 LEU 41 4.633 -1.414 -9.878 312 3HD2 LEU 41 3HD2 LEU 41 5.910 -2.012 -10.938 313 H GLY 42 H GLY 42 8.394 -5.789 -11.983 314 1HA GLY 42 2HA GLY 42 9.377 -3.230 -12.569 315 2HA GLY 42 1HA GLY 42 10.113 -4.739 -13.106 316 H LYS 43 H LYS 43 7.662 -5.561 -14.558 317 HA LYS 43 HA LYS 43 8.258 -4.453 -17.110 318 1HB LYS 43 2HB LYS 43 5.879 -6.085 -16.189 319 2HB LYS 43 1HB LYS 43 6.252 -5.709 -17.870 320 1HG LYS 43 2HG LYS 43 8.296 -6.952 -17.796 321 2HG LYS 43 1HG LYS 43 8.220 -7.098 -16.039 322 1HD LYS 43 2HD LYS 43 6.052 -8.384 -16.344 323 2HD LYS 43 1HD LYS 43 6.401 -8.412 -18.073 324 1HE LYS 43 2HE LYS 43 8.487 -9.334 -16.110 325 2HE LYS 43 1HE LYS 43 7.184 -10.422 -16.584 326 1HZ LYS 43 1HZ LYS 43 9.047 -9.041 -18.442 327 2HZ LYS 43 2HZ LYS 43 7.788 -10.086 -18.899 328 3HZ LYS 43 3HZ LYS 43 9.112 -10.681 -18.016 329 H VAL 44 H VAL 44 6.010 -3.567 -14.584 330 HA VAL 44 HA VAL 44 4.505 -1.801 -16.364 331 HB VAL 44 HB VAL 44 2.838 -1.785 -14.831 332 1HG1 VAL 44 1HG1 VAL 44 2.562 -3.829 -13.766 333 2HG1 VAL 44 2HG1 VAL 44 4.246 -3.906 -13.248 334 3HG1 VAL 44 3HG1 VAL 44 3.827 -4.221 -14.930 335 1HG2 VAL 44 1HG2 VAL 44 4.985 -1.582 -12.704 336 2HG2 VAL 44 2HG2 VAL 44 3.267 -1.697 -12.328 337 3HG2 VAL 44 3HG2 VAL 44 3.875 -0.319 -13.241 338 H MET 45 H MET 45 6.902 -1.697 -13.786 339 HA MET 45 HA MET 45 6.903 1.074 -13.284 340 1HB MET 45 2HB MET 45 9.023 -1.058 -13.052 341 2HB MET 45 1HB MET 45 9.387 0.632 -12.702 342 1HG MET 45 2HG MET 45 7.000 -0.706 -11.445 343 2HG MET 45 1HG MET 45 8.606 -0.894 -10.742 344 1HE MET 45 1HE MET 45 5.886 0.472 -9.496 345 2HE MET 45 2HE MET 45 5.505 1.101 -11.096 346 3HE MET 45 3HE MET 45 5.743 2.216 -9.754 347 H ARG 46 H ARG 46 8.629 -0.898 -15.694 348 HA ARG 46 HA ARG 46 10.187 1.206 -16.793 349 1HB ARG 46 2HB ARG 46 10.444 -0.253 -18.771 350 2HB ARG 46 1HB ARG 46 10.728 -1.125 -17.267 351 1HG ARG 46 2HG ARG 46 8.702 -2.293 -17.410 352 2HG ARG 46 1HG ARG 46 7.983 -1.113 -18.501 353 1HD ARG 46 2HD ARG 46 8.556 -2.482 -20.190 354 2HD ARG 46 1HD ARG 46 10.225 -2.022 -19.885 355 HE ARG 46 HE ARG 46 8.923 -4.517 -19.084 356 1HH1 ARG 46 2HH1 ARG 46 11.708 -2.412 -18.846 357 2HH1 ARG 46 1HH1 ARG 46 12.754 -3.661 -18.270 358 1HH2 ARG 46 1HH2 ARG 46 10.319 -6.131 -18.324 359 2HH2 ARG 46 2HH2 ARG 46 11.974 -5.757 -17.975 360 H MET 47 H MET 47 6.879 0.163 -17.354 361 HA MET 47 HA MET 47 6.477 1.796 -19.702 362 1HB MET 47 2HB MET 47 4.927 -0.127 -18.135 363 2HB MET 47 1HB MET 47 3.967 1.259 -18.648 364 1HG MET 47 2HG MET 47 3.942 -0.575 -20.329 365 2HG MET 47 1HG MET 47 4.642 0.910 -20.974 366 1HE MET 47 1HE MET 47 4.608 -2.429 -20.261 367 2HE MET 47 2HE MET 47 6.221 -3.110 -20.074 368 3HE MET 47 3HE MET 47 5.577 -2.820 -21.688 369 H LEU 48 H LEU 48 6.022 2.120 -16.232 370 HA LEU 48 HA LEU 48 4.448 4.528 -16.343 371 1HB LEU 48 2HB LEU 48 5.796 2.924 -14.233 372 2HB LEU 48 1HB LEU 48 5.458 4.600 -13.871 373 HG LEU 48 HG LEU 48 3.097 4.254 -14.081 374 1HD1 LEU 48 1HD1 LEU 48 2.081 2.480 -15.146 375 2HD1 LEU 48 2HD1 LEU 48 3.357 1.346 -14.704 376 3HD1 LEU 48 3HD1 LEU 48 3.605 2.480 -16.031 377 1HD2 LEU 48 1HD2 LEU 48 3.316 3.474 -11.968 378 2HD2 LEU 48 2HD2 LEU 48 4.749 2.537 -12.385 379 3HD2 LEU 48 3HD2 LEU 48 3.145 1.859 -12.658 380 H GLY 49 H GLY 49 7.860 3.746 -16.229 381 1HA GLY 49 2HA GLY 49 9.372 5.437 -17.221 382 2HA GLY 49 1HA GLY 49 8.515 6.639 -16.264 383 H GLN 50 H GLN 50 9.322 3.476 -14.966 384 HA GLN 50 HA GLN 50 11.508 4.657 -13.360 385 1HB GLN 50 2HB GLN 50 9.494 2.691 -12.250 386 2HB GLN 50 1HB GLN 50 10.715 3.601 -11.366 387 1HG GLN 50 2HG GLN 50 8.426 4.901 -12.871 388 2HG GLN 50 1HG GLN 50 8.368 4.518 -11.152 389 1HE2 GLN 50 1HE2 GLN 50 8.627 7.172 -12.868 390 2HE2 GLN 50 2HE2 GLN 50 9.845 8.016 -12.041 391 H ASN 51 H ASN 51 12.935 2.969 -12.391 392 HA ASN 51 HA ASN 51 12.834 0.332 -13.631 393 1HB ASN 51 2HB ASN 51 14.087 2.051 -15.167 394 2HB ASN 51 1HB ASN 51 15.396 1.850 -14.003 395 1HD2 ASN 51 1HD2 ASN 51 13.410 0.122 -16.401 396 2HD2 ASN 51 2HD2 ASN 51 14.426 -1.234 -16.509 397 HA PRO 52 HA PRO 52 14.863 0.428 -9.446 398 1HB PRO 52 2HB PRO 52 12.856 -0.763 -8.026 399 2HB PRO 52 1HB PRO 52 12.955 0.984 -8.292 400 1HG PRO 52 2HG PRO 52 11.124 -0.996 -9.487 401 2HG PRO 52 1HG PRO 52 10.910 0.747 -9.271 402 1HD PRO 52 2HD PRO 52 11.642 -0.614 -11.682 403 2HD PRO 52 1HD PRO 52 11.574 1.144 -11.418 404 H THR 53 H THR 53 14.433 -1.771 -7.778 405 HA THR 53 HA THR 53 15.220 -4.047 -9.500 406 HB THR 53 HB THR 53 16.648 -4.802 -7.802 407 HG1 THR 53 HG1 THR 53 16.182 -4.610 -5.757 408 1HG2 THR 53 1HG2 THR 53 17.509 -2.704 -8.720 409 2HG2 THR 53 2HG2 THR 53 17.937 -2.845 -7.015 410 3HG2 THR 53 3HG2 THR 53 16.611 -1.790 -7.507 411 HA PRO 54 HA PRO 54 11.767 -6.343 -8.004 412 1HB PRO 54 2HB PRO 54 12.803 -8.810 -7.405 413 2HB PRO 54 1HB PRO 54 12.536 -8.219 -9.053 414 1HG PRO 54 2HG PRO 54 15.076 -8.469 -7.527 415 2HG PRO 54 1HG PRO 54 14.788 -8.600 -9.269 416 1HD PRO 54 2HD PRO 54 15.860 -6.362 -7.978 417 2HD PRO 54 1HD PRO 54 15.143 -6.355 -9.606 418 H GLU 55 H GLU 55 14.562 -6.237 -5.902 419 HA GLU 55 HA GLU 55 13.143 -7.115 -3.531 420 1HB GLU 55 2HB GLU 55 15.871 -5.833 -3.834 421 2HB GLU 55 1HB GLU 55 15.228 -6.533 -2.349 422 1HG GLU 55 2HG GLU 55 15.441 -8.132 -4.908 423 2HG GLU 55 1HG GLU 55 16.771 -8.035 -3.753 424 H GLU 56 H GLU 56 14.122 -4.065 -5.043 425 HA GLU 56 HA GLU 56 13.396 -2.427 -2.786 426 1HB GLU 56 2HB GLU 56 14.296 -1.940 -5.588 427 2HB GLU 56 1HB GLU 56 13.436 -0.639 -4.763 428 1HG GLU 56 2HG GLU 56 15.081 -0.384 -3.146 429 2HG GLU 56 1HG GLU 56 15.635 -2.052 -3.300 430 H LEU 57 H LEU 57 11.907 -3.079 -5.980 431 HA LEU 57 HA LEU 57 9.636 -1.467 -5.618 432 1HB LEU 57 2HB LEU 57 8.690 -2.564 -7.473 433 2HB LEU 57 1HB LEU 57 10.408 -2.488 -7.772 434 HG LEU 57 HG LEU 57 10.373 -4.937 -6.774 435 1HD1 LEU 57 1HD1 LEU 57 7.922 -5.577 -8.040 436 2HD1 LEU 57 2HD1 LEU 57 7.571 -4.246 -6.939 437 3HD1 LEU 57 3HD1 LEU 57 8.308 -5.725 -6.327 438 1HD2 LEU 57 1HD2 LEU 57 11.026 -4.313 -9.073 439 2HD2 LEU 57 2HD2 LEU 57 9.327 -4.232 -9.538 440 3HD2 LEU 57 3HD2 LEU 57 10.043 -5.777 -9.079 441 H GLN 58 H GLN 58 10.274 -4.812 -4.644 442 HA GLN 58 HA GLN 58 7.683 -5.616 -3.976 443 1HB GLN 58 2HB GLN 58 9.901 -6.964 -3.941 444 2HB GLN 58 1HB GLN 58 10.046 -6.387 -2.283 445 1HG GLN 58 2HG GLN 58 8.923 -8.549 -2.269 446 2HG GLN 58 1HG GLN 58 7.765 -7.301 -1.814 447 1HE2 GLN 58 1HE2 GLN 58 5.823 -7.346 -2.958 448 2HE2 GLN 58 2HE2 GLN 58 5.608 -8.076 -4.474 449 H GLU 59 H GLU 59 9.928 -3.545 -2.206 450 HA GLU 59 HA GLU 59 8.656 -3.603 0.318 451 1HB GLU 59 2HB GLU 59 10.237 -1.365 -0.977 452 2HB GLU 59 1HB GLU 59 9.796 -1.441 0.729 453 1HG GLU 59 2HG GLU 59 11.008 -3.632 0.888 454 2HG GLU 59 1HG GLU 59 11.549 -3.406 -0.775 455 H MET 60 H MET 60 8.322 -1.208 -2.333 456 HA MET 60 HA MET 60 6.221 0.220 -1.053 457 1HB MET 60 2HB MET 60 5.833 1.284 -3.244 458 2HB MET 60 1HB MET 60 7.541 1.282 -2.816 459 1HG MET 60 2HG MET 60 7.995 -0.551 -4.304 460 2HG MET 60 1HG MET 60 6.276 -0.834 -4.577 461 1HE MET 60 1HE MET 60 7.447 0.381 -8.017 462 2HE MET 60 2HE MET 60 7.078 -0.980 -6.961 463 3HE MET 60 3HE MET 60 8.677 -0.241 -6.909 464 H ILE 61 H ILE 61 6.280 -2.579 -3.162 465 HA ILE 61 HA ILE 61 3.498 -2.598 -3.804 466 HB ILE 61 HB ILE 61 5.559 -4.820 -3.777 467 1HG1 ILE 61 2HG1 ILE 61 6.073 -3.181 -5.461 468 2HG1 ILE 61 1HG1 ILE 61 5.298 -4.527 -6.291 469 1HG2 ILE 61 1HG2 ILE 61 3.465 -5.501 -5.510 470 2HG2 ILE 61 2HG2 ILE 61 2.663 -4.919 -4.051 471 3HG2 ILE 61 3HG2 ILE 61 3.822 -6.245 -3.952 472 1HD1 ILE 61 1HD1 ILE 61 3.978 -1.926 -5.455 473 2HD1 ILE 61 2HD1 ILE 61 3.128 -3.293 -6.178 474 3HD1 ILE 61 3HD1 ILE 61 4.357 -2.427 -7.101 475 H ASP 62 H ASP 62 5.439 -4.302 -1.343 476 HA ASP 62 HA ASP 62 3.375 -5.764 -0.136 477 1HB ASP 62 2HB ASP 62 5.954 -4.642 0.959 478 2HB ASP 62 1HB ASP 62 4.845 -5.567 1.969 479 H GLU 63 H GLU 63 4.419 -2.411 0.356 480 HA GLU 63 HA GLU 63 2.768 -1.897 2.631 481 1HB GLU 63 2HB GLU 63 4.691 -0.468 1.129 482 2HB GLU 63 1HB GLU 63 3.206 0.479 1.060 483 1HG GLU 63 2HG GLU 63 3.323 -0.364 3.713 484 2HG GLU 63 1HG GLU 63 5.000 0.010 3.318 485 H VAL 64 H VAL 64 2.384 -1.254 -0.849 486 HA VAL 64 HA VAL 64 -0.179 -0.039 -0.666 487 HB VAL 64 HB VAL 64 1.157 -1.444 -2.992 488 1HG1 VAL 64 1HG1 VAL 64 -1.372 0.134 -2.704 489 2HG1 VAL 64 2HG1 VAL 64 -1.039 -1.278 -3.706 490 3HG1 VAL 64 3HG1 VAL 64 -0.432 0.308 -4.187 491 1HG2 VAL 64 1HG2 VAL 64 2.310 0.544 -1.859 492 2HG2 VAL 64 2HG2 VAL 64 0.957 1.520 -2.437 493 3HG2 VAL 64 3HG2 VAL 64 2.007 0.696 -3.591 494 H ASP 65 H ASP 65 0.715 -3.248 -1.951 495 HA ASP 65 HA ASP 65 -1.835 -4.307 -2.227 496 1HB ASP 65 2HB ASP 65 0.673 -5.270 -2.672 497 2HB ASP 65 1HB ASP 65 0.197 -6.229 -1.271 498 H GLU 66 H GLU 66 -3.328 -4.136 -0.682 499 HA GLU 66 HA GLU 66 -2.777 -4.422 2.131 500 1HB GLU 66 2HB GLU 66 -5.508 -4.536 0.844 501 2HB GLU 66 1HB GLU 66 -5.100 -4.037 2.485 502 1HG GLU 66 2HG GLU 66 -4.012 -2.570 0.084 503 2HG GLU 66 1HG GLU 66 -5.591 -2.176 0.761 504 H ASP 67 H ASP 67 -3.862 -6.526 -0.436 505 HA ASP 67 HA ASP 67 -4.826 -8.615 1.315 506 1HB ASP 67 2HB ASP 67 -4.048 -9.026 -1.568 507 2HB ASP 67 1HB ASP 67 -5.280 -9.867 -0.631 508 H GLY 68 H GLY 68 -1.907 -8.102 -0.661 509 1HA GLY 68 2HA GLY 68 0.241 -8.929 -0.386 510 2HA GLY 68 1HA GLY 68 -0.284 -9.682 1.120 511 H SER 69 H SER 69 -1.712 -10.071 -2.085 512 HA SER 69 HA SER 69 -1.425 -12.972 -1.872 513 1HB SER 69 2HB SER 69 -2.883 -12.851 -4.001 514 2HB SER 69 1HB SER 69 -3.616 -12.374 -2.473 515 HG SER 69 HG SER 69 -2.730 -10.788 -4.626 516 H GLY 70 H GLY 70 0.527 -10.598 -3.040 517 1HA GLY 70 2HA GLY 70 2.404 -10.718 -4.385 518 2HA GLY 70 1HA GLY 70 1.982 -12.388 -4.760 519 H THR 71 H THR 71 -0.488 -10.005 -5.177 520 HA THR 71 HA THR 71 0.077 -9.665 -8.029 521 HB THR 71 HB THR 71 -2.119 -10.429 -8.716 522 HG1 THR 71 HG1 THR 71 -3.663 -10.783 -7.319 523 1HG2 THR 71 1HG2 THR 71 -0.820 -12.444 -6.858 524 2HG2 THR 71 2HG2 THR 71 -0.351 -12.141 -8.532 525 3HG2 THR 71 3HG2 THR 71 -1.935 -12.827 -8.172 526 H VAL 72 H VAL 72 -0.337 -7.628 -8.631 527 HA VAL 72 HA VAL 72 -1.715 -5.867 -6.747 528 HB VAL 72 HB VAL 72 -0.435 -5.092 -9.371 529 1HG1 VAL 72 1HG1 VAL 72 -1.175 -3.581 -6.848 530 2HG1 VAL 72 2HG1 VAL 72 -1.908 -3.400 -8.442 531 3HG1 VAL 72 3HG1 VAL 72 -0.240 -2.892 -8.175 532 1HG2 VAL 72 1HG2 VAL 72 1.316 -6.140 -8.118 533 2HG2 VAL 72 2HG2 VAL 72 0.761 -5.414 -6.608 534 3HG2 VAL 72 3HG2 VAL 72 1.500 -4.405 -7.851 535 H ASP 73 H ASP 73 -3.760 -5.318 -6.940 536 HA ASP 73 HA ASP 73 -5.238 -5.984 -9.381 537 1HB ASP 73 2HB ASP 73 -6.126 -4.970 -6.664 538 2HB ASP 73 1HB ASP 73 -7.226 -5.232 -8.017 539 H PHE 74 H PHE 74 -6.850 -4.237 -10.144 540 HA PHE 74 HA PHE 74 -5.398 -1.986 -10.979 541 1HB PHE 74 2HB PHE 74 -7.514 -2.921 -12.044 542 2HB PHE 74 1HB PHE 74 -8.408 -2.018 -10.820 543 HD1 PHE 74 HD1 PHE 74 -5.281 -1.252 -12.723 544 HD2 PHE 74 HD2 PHE 74 -9.326 -0.117 -11.841 545 HE1 PHE 74 HE1 PHE 74 -4.989 0.817 -14.049 546 HE2 PHE 74 HE2 PHE 74 -9.033 1.956 -13.169 547 HZ PHE 74 HZ PHE 74 -6.868 2.423 -14.276 548 H ASP 75 H ASP 75 -7.469 -2.450 -8.163 549 HA ASP 75 HA ASP 75 -7.658 0.303 -7.423 550 1HB ASP 75 2HB ASP 75 -7.969 -2.260 -5.847 551 2HB ASP 75 1HB ASP 75 -8.182 -0.664 -5.126 552 H GLU 76 H GLU 76 -5.446 -2.336 -6.568 553 HA GLU 76 HA GLU 76 -3.873 -0.748 -4.752 554 1HB GLU 76 2HB GLU 76 -3.137 -3.355 -6.105 555 2HB GLU 76 1HB GLU 76 -2.373 -2.658 -4.676 556 1HG GLU 76 2HG GLU 76 -4.399 -2.921 -3.380 557 2HG GLU 76 1HG GLU 76 -5.310 -3.405 -4.807 558 H PHE 77 H PHE 77 -3.901 -1.358 -8.175 559 HA PHE 77 HA PHE 77 -1.228 -0.661 -8.818 560 1HB PHE 77 2HB PHE 77 -3.279 -1.715 -10.221 561 2HB PHE 77 1HB PHE 77 -3.410 -0.044 -10.744 562 HD1 PHE 77 HD1 PHE 77 -2.918 -0.928 -13.025 563 HD2 PHE 77 HD2 PHE 77 -0.045 -1.149 -9.830 564 HE1 PHE 77 HE1 PHE 77 -1.107 -1.318 -14.666 565 HE2 PHE 77 HE2 PHE 77 1.756 -1.530 -11.477 566 HZ PHE 77 HZ PHE 77 1.229 -1.622 -13.898 567 H LEU 78 H LEU 78 -4.264 1.212 -8.921 568 HA LEU 78 HA LEU 78 -3.007 3.666 -9.671 569 1HB LEU 78 2HB LEU 78 -5.723 2.853 -8.763 570 2HB LEU 78 1HB LEU 78 -5.298 4.554 -8.685 571 HG LEU 78 HG LEU 78 -5.032 4.690 -11.051 572 1HD1 LEU 78 1HD1 LEU 78 -3.820 2.489 -11.254 573 2HD1 LEU 78 2HD1 LEU 78 -5.001 2.783 -12.528 574 3HD1 LEU 78 3HD1 LEU 78 -5.389 1.686 -11.200 575 1HD2 LEU 78 1HD2 LEU 78 -7.224 3.791 -11.874 576 2HD2 LEU 78 2HD2 LEU 78 -7.362 4.681 -10.358 577 3HD2 LEU 78 3HD2 LEU 78 -7.390 2.918 -10.350 578 H VAL 79 H VAL 79 -3.678 2.133 -6.586 579 HA VAL 79 HA VAL 79 -3.478 4.415 -4.918 580 HB VAL 79 HB VAL 79 -3.271 1.465 -4.534 581 1HG1 VAL 79 1HG1 VAL 79 -2.558 1.771 -2.173 582 2HG1 VAL 79 2HG1 VAL 79 -2.252 3.478 -2.504 583 3HG1 VAL 79 3HG1 VAL 79 -1.293 2.235 -3.315 584 1HG2 VAL 79 1HG2 VAL 79 -5.018 1.878 -2.943 585 2HG2 VAL 79 2HG2 VAL 79 -5.370 2.890 -4.344 586 3HG2 VAL 79 3HG2 VAL 79 -4.655 3.604 -2.898 587 H MET 80 H MET 80 -1.063 2.058 -6.036 588 HA MET 80 HA MET 80 1.222 2.853 -4.753 589 1HB MET 80 2HB MET 80 0.642 1.269 -6.972 590 2HB MET 80 1HB MET 80 1.752 2.489 -7.592 591 1HG MET 80 2HG MET 80 3.095 1.945 -5.382 592 2HG MET 80 1HG MET 80 2.201 0.427 -5.465 593 1HE MET 80 1HE MET 80 2.161 -1.146 -7.568 594 2HE MET 80 2HE MET 80 3.014 -0.807 -9.071 595 3HE MET 80 3HE MET 80 1.705 0.250 -8.554 596 H MET 81 H MET 81 -0.419 4.541 -7.398 597 HA MET 81 HA MET 81 1.678 6.370 -8.005 598 1HB MET 81 2HB MET 81 -0.209 5.989 -9.540 599 2HB MET 81 1HB MET 81 -1.311 6.707 -8.369 600 1HG MET 81 2HG MET 81 -0.559 8.288 -10.193 601 2HG MET 81 1HG MET 81 -0.230 8.856 -8.557 602 1HE MET 81 1HE MET 81 1.775 6.070 -10.728 603 2HE MET 81 2HE MET 81 2.682 7.237 -11.686 604 3HE MET 81 3HE MET 81 0.921 7.265 -11.713 605 H VAL 82 H VAL 82 -1.349 6.873 -6.150 606 HA VAL 82 HA VAL 82 -0.648 9.428 -5.175 607 HB VAL 82 HB VAL 82 -2.391 9.028 -3.425 608 1HG1 VAL 82 1HG1 VAL 82 -4.255 8.869 -5.027 609 2HG1 VAL 82 2HG1 VAL 82 -3.154 8.245 -6.255 610 3HG1 VAL 82 3HG1 VAL 82 -2.971 9.897 -5.663 611 1HG2 VAL 82 1HG2 VAL 82 -3.620 6.964 -3.377 612 2HG2 VAL 82 2HG2 VAL 82 -1.913 6.532 -3.281 613 3HG2 VAL 82 3HG2 VAL 82 -2.781 6.360 -4.807 614 H ARG 83 H ARG 83 0.141 6.201 -4.043 615 HA ARG 83 HA ARG 83 0.941 6.730 -1.413 616 1HB ARG 83 2HB ARG 83 2.024 4.755 -3.431 617 2HB ARG 83 1HB ARG 83 2.519 4.786 -1.739 618 1HG ARG 83 2HG ARG 83 -0.408 4.809 -2.212 619 2HG ARG 83 1HG ARG 83 0.423 3.320 -2.658 620 1HD ARG 83 2HD ARG 83 1.049 2.852 -0.491 621 2HD ARG 83 1HD ARG 83 1.116 4.550 -0.029 622 HE ARG 83 HE ARG 83 -1.553 4.078 -0.484 623 1HH1 ARG 83 2HH1 ARG 83 0.920 2.631 1.514 624 2HH1 ARG 83 1HH1 ARG 83 -0.190 2.133 2.744 625 1HH2 ARG 83 1HH2 ARG 83 -2.989 3.418 1.141 626 2HH2 ARG 83 2HH2 ARG 83 -2.397 2.578 2.535 627 H CYS 84 H CYS 84 2.574 7.337 -4.469 628 HA CYS 84 HA CYS 84 4.993 8.264 -3.074 629 1HB CYS 84 2HB CYS 84 4.353 7.536 -5.910 630 2HB CYS 84 1HB CYS 84 5.695 8.633 -5.584 631 HG CYS 84 HG CYS 84 5.749 6.049 -3.914 632 H MET 85 H MET 85 2.297 9.410 -5.044 633 HA MET 85 HA MET 85 3.205 12.011 -5.612 634 1HB MET 85 2HB MET 85 1.005 10.642 -6.317 635 2HB MET 85 1HB MET 85 0.309 11.635 -5.038 636 1HG MET 85 2HG MET 85 2.081 12.988 -7.026 637 2HG MET 85 1HG MET 85 0.469 12.512 -7.557 638 1HE MET 85 1HE MET 85 1.758 16.031 -5.205 639 2HE MET 85 2HE MET 85 1.828 15.738 -6.941 640 3HE MET 85 3HE MET 85 2.716 14.686 -5.841 641 H LYS 86 H LYS 86 0.910 11.022 -3.037 642 HA LYS 86 HA LYS 86 2.103 13.032 -1.267 643 1HB LYS 86 2HB LYS 86 0.177 14.258 -0.870 644 2HB LYS 86 1HB LYS 86 0.022 13.929 -2.592 645 1HG LYS 86 2HG LYS 86 -1.268 12.250 -0.416 646 2HG LYS 86 1HG LYS 86 -2.093 13.529 -1.302 647 1HD LYS 86 2HD LYS 86 -1.233 12.201 -3.419 648 2HD LYS 86 1HD LYS 86 -1.152 10.857 -2.281 649 1HE LYS 86 2HE LYS 86 -3.629 12.563 -2.463 650 2HE LYS 86 1HE LYS 86 -3.372 11.228 -3.587 651 1HZ LYS 86 1HZ LYS 86 -3.200 9.709 -1.760 652 2HZ LYS 86 2HZ LYS 86 -4.638 10.596 -1.587 653 3HZ LYS 86 3HZ LYS 86 -3.287 10.971 -0.628 654 H ASP 87 H ASP 87 2.150 12.458 0.819 655 HA ASP 87 HA ASP 87 0.383 10.667 2.112 656 1HB ASP 87 2HB ASP 87 1.903 8.712 2.374 657 2HB ASP 87 1HB ASP 87 1.378 8.937 0.708 658 H ASP 88 H ASP 88 1.410 13.125 2.786 659 HA ASP 88 HA ASP 88 3.303 12.509 4.978 660 1HB ASP 88 2HB ASP 88 3.730 15.052 4.907 661 2HB ASP 88 1HB ASP 88 4.428 14.067 3.626 662 H SER 89 HN SER 89 0.994 11.803 5.771 663 HA SER 89 HA SER 89 -0.583 14.002 6.854 664 1HB SER 89 2HB SER 89 -0.866 10.998 7.062 665 2HB SER 89 1HB SER 89 -1.944 12.135 7.864 666 HG SER 89 HG SER 89 -2.885 11.752 5.935 Start of MODEL 27 1 1H MET 1 1H MET 1 -8.489 3.350 7.590 2 2H MET 1 2H MET 1 -7.996 2.758 9.103 3 3H MET 1 3H MET 1 -6.895 2.814 7.809 4 HA MET 1 HA MET 1 -8.181 5.277 8.809 5 1HB MET 1 2HB MET 1 -6.093 5.595 10.204 6 2HB MET 1 1HB MET 1 -7.177 4.335 10.792 7 1HG MET 1 2HG MET 1 -5.786 2.597 9.922 8 2HG MET 1 1HG MET 1 -4.841 3.735 8.963 9 1HE MET 1 1HE MET 1 -5.571 1.973 12.018 10 2HE MET 1 2HE MET 1 -5.953 3.444 12.907 11 3HE MET 1 3HE MET 1 -4.488 2.545 13.293 12 H ASN 2 H ASN 2 -7.786 4.811 6.176 13 HA ASN 2 HA ASN 2 -5.459 6.515 5.564 14 1HB ASN 2 2HB ASN 2 -6.150 3.878 4.274 15 2HB ASN 2 1HB ASN 2 -5.201 5.102 3.430 16 1HD2 ASN 2 1HD2 ASN 2 -3.269 5.986 4.865 17 2HD2 ASN 2 2HD2 ASN 2 -2.416 4.811 5.743 18 H ASP 3 H ASP 3 -6.829 8.269 5.283 19 HA ASP 3 HA ASP 3 -8.914 8.063 3.218 20 1HB ASP 3 2HB ASP 3 -8.355 10.047 5.405 21 2HB ASP 3 1HB ASP 3 -9.391 10.475 4.043 22 H ILE 4 H ILE 4 -5.862 9.648 3.927 23 HA ILE 4 HA ILE 4 -5.855 11.626 1.956 24 HB ILE 4 HB ILE 4 -3.448 11.666 2.090 25 1HG1 ILE 4 2HG1 ILE 4 -3.212 9.118 1.971 26 2HG1 ILE 4 1HG1 ILE 4 -2.102 9.951 3.050 27 1HG2 ILE 4 1HG2 ILE 4 -4.055 12.725 4.001 28 2HG2 ILE 4 2HG2 ILE 4 -3.349 11.310 4.778 29 3HG2 ILE 4 3HG2 ILE 4 -5.092 11.403 4.533 30 1HD1 ILE 4 1HD1 ILE 4 -4.440 8.197 3.723 31 2HD1 ILE 4 2HD1 ILE 4 -3.981 9.470 4.853 32 3HD1 ILE 4 3HD1 ILE 4 -2.821 8.217 4.418 33 H TYR 5 H TYR 5 -5.227 8.179 1.674 34 HA TYR 5 HA TYR 5 -4.237 8.323 -1.035 35 1HB TYR 5 2HB TYR 5 -5.256 5.977 0.592 36 2HB TYR 5 1HB TYR 5 -4.524 5.843 -1.006 37 HD1 TYR 5 HD1 TYR 5 -2.134 6.482 -1.353 38 HD2 TYR 5 HD2 TYR 5 -3.924 6.396 2.549 39 HE1 TYR 5 HE1 TYR 5 0.120 6.521 -0.318 40 HE2 TYR 5 HE2 TYR 5 -1.674 6.431 3.582 41 HH TYR 5 HH TYR 5 0.933 5.590 2.346 42 H LYS 6 H LYS 6 -7.335 7.570 0.525 43 HA LYS 6 HA LYS 6 -8.717 6.900 -1.889 44 1HB LYS 6 2HB LYS 6 -9.297 6.485 0.693 45 2HB LYS 6 1HB LYS 6 -10.239 7.953 0.441 46 1HG LYS 6 2HG LYS 6 -11.802 6.391 -0.233 47 2HG LYS 6 1HG LYS 6 -10.985 6.658 -1.772 48 1HD LYS 6 2HD LYS 6 -11.035 4.306 -1.570 49 2HD LYS 6 1HD LYS 6 -9.409 4.736 -1.041 50 1HE LYS 6 2HE LYS 6 -9.838 4.223 1.160 51 2HE LYS 6 1HE LYS 6 -11.536 4.684 1.047 52 1HZ LYS 6 1HZ LYS 6 -10.368 2.250 -0.192 53 2HZ LYS 6 2HZ LYS 6 -12.013 2.676 -0.142 54 3HZ LYS 6 3HZ LYS 6 -11.193 2.272 1.290 55 H ALA 7 H ALA 7 -7.882 9.908 -0.374 56 HA ALA 7 HA ALA 7 -9.969 11.534 -1.415 57 1HB ALA 7 1HB ALA 7 -8.679 13.391 -0.718 58 2HB ALA 7 2HB ALA 7 -7.166 12.493 -0.849 59 3HB ALA 7 3HB ALA 7 -8.304 12.118 0.445 60 H ALA 8 H ALA 8 -6.916 10.389 -2.744 61 HA ALA 8 HA ALA 8 -6.985 12.187 -5.014 62 1HB ALA 8 1HB ALA 8 -4.844 11.345 -4.097 63 2HB ALA 8 2HB ALA 8 -5.041 10.943 -5.804 64 3HB ALA 8 3HB ALA 8 -5.305 9.710 -4.569 65 H VAL 9 H VAL 9 -7.640 8.729 -4.451 66 HA VAL 9 HA VAL 9 -8.207 8.084 -7.153 67 HB VAL 9 HB VAL 9 -7.722 6.414 -5.336 68 1HG1 VAL 9 1HG1 VAL 9 -9.598 5.678 -3.924 69 2HG1 VAL 9 2HG1 VAL 9 -10.619 6.945 -4.603 70 3HG1 VAL 9 3HG1 VAL 9 -9.220 7.371 -3.619 71 1HG2 VAL 9 1HG2 VAL 9 -8.813 5.903 -7.591 72 2HG2 VAL 9 2HG2 VAL 9 -10.352 5.868 -6.731 73 3HG2 VAL 9 3HG2 VAL 9 -9.086 4.712 -6.318 74 H GLU 10 H GLU 10 -10.122 9.641 -4.681 75 HA GLU 10 HA GLU 10 -12.640 9.188 -6.030 76 1HB GLU 10 2HB GLU 10 -13.619 10.554 -4.295 77 2HB GLU 10 1HB GLU 10 -12.477 9.434 -3.557 78 1HG GLU 10 2HG GLU 10 -10.925 11.102 -3.093 79 2HG GLU 10 1HG GLU 10 -11.515 12.156 -4.374 80 H GLN 11 H GLN 11 -10.056 11.462 -6.324 81 HA GLN 11 HA GLN 11 -11.775 13.114 -8.071 82 1HB GLN 11 2HB GLN 11 -10.727 15.145 -7.315 83 2HB GLN 11 1HB GLN 11 -11.320 14.280 -5.899 84 1HG GLN 11 2HG GLN 11 -8.951 13.264 -5.751 85 2HG GLN 11 1HG GLN 11 -8.473 14.527 -6.882 86 1HE2 GLN 11 1HE2 GLN 11 -7.587 14.307 -4.069 87 2HE2 GLN 11 2HE2 GLN 11 -8.126 15.714 -3.287 88 H LEU 12 H LEU 12 -9.885 10.900 -8.669 89 HA LEU 12 HA LEU 12 -7.555 12.141 -9.868 90 1HB LEU 12 2HB LEU 12 -7.406 9.793 -10.990 91 2HB LEU 12 1HB LEU 12 -7.022 9.990 -9.298 92 HG LEU 12 HG LEU 12 -9.140 9.027 -8.650 93 1HD1 LEU 12 1HD1 LEU 12 -10.654 9.871 -10.299 94 2HD1 LEU 12 2HD1 LEU 12 -10.653 8.118 -10.490 95 3HD1 LEU 12 3HD1 LEU 12 -9.741 9.127 -11.614 96 1HD2 LEU 12 1HD2 LEU 12 -8.000 7.373 -10.918 97 2HD2 LEU 12 2HD2 LEU 12 -8.821 6.779 -9.474 98 3HD2 LEU 12 3HD2 LEU 12 -7.231 7.527 -9.338 99 H THR 13 H THR 13 -7.081 11.555 -12.253 100 HA THR 13 HA THR 13 -9.376 12.511 -13.840 101 HB THR 13 HB THR 13 -7.252 12.536 -15.564 102 HG1 THR 13 HG1 THR 13 -5.694 12.039 -14.133 103 1HG2 THR 13 1HG2 THR 13 -8.555 14.515 -13.768 104 2HG2 THR 13 2HG2 THR 13 -8.434 14.491 -15.528 105 3HG2 THR 13 3HG2 THR 13 -7.058 15.011 -14.557 106 H ASP 14 H ASP 14 -9.481 11.684 -16.113 107 HA ASP 14 HA ASP 14 -9.787 8.841 -16.112 108 1HB ASP 14 2HB ASP 14 -9.972 10.944 -18.270 109 2HB ASP 14 1HB ASP 14 -10.142 9.226 -18.631 110 H GLU 15 H GLU 15 -7.313 11.079 -17.228 111 HA GLU 15 HA GLU 15 -5.810 9.288 -18.832 112 1HB GLU 15 2HB GLU 15 -5.264 11.886 -17.464 113 2HB GLU 15 1HB GLU 15 -3.884 10.931 -18.005 114 1HG GLU 15 2HG GLU 15 -4.862 10.820 -20.279 115 2HG GLU 15 1HG GLU 15 -6.215 11.812 -19.735 116 H GLN 16 H GLN 16 -5.937 9.873 -15.364 117 HA GLN 16 HA GLN 16 -3.563 8.426 -14.683 118 1HB GLN 16 2HB GLN 16 -5.765 9.736 -13.250 119 2HB GLN 16 1HB GLN 16 -5.177 8.277 -12.452 120 1HG GLN 16 2HG GLN 16 -3.065 9.147 -12.103 121 2HG GLN 16 1HG GLN 16 -3.158 10.211 -13.508 122 1HE2 GLN 16 1HE2 GLN 16 -5.065 9.795 -10.456 123 2HE2 GLN 16 2HE2 GLN 16 -5.121 11.455 -10.107 124 H LYS 17 H LYS 17 -7.027 7.647 -14.762 125 HA LYS 17 HA LYS 17 -6.839 4.992 -13.808 126 1HB LYS 17 2HB LYS 17 -8.865 6.251 -15.678 127 2HB LYS 17 1HB LYS 17 -9.042 4.661 -14.935 128 1HG LYS 17 2HG LYS 17 -9.456 5.529 -12.847 129 2HG LYS 17 1HG LYS 17 -8.418 6.931 -13.109 130 1HD LYS 17 2HD LYS 17 -10.112 8.183 -13.973 131 2HD LYS 17 1HD LYS 17 -10.796 6.820 -14.861 132 1HE LYS 17 2HE LYS 17 -10.999 6.777 -11.879 133 2HE LYS 17 1HE LYS 17 -12.055 7.883 -12.758 134 1HZ LYS 17 1HZ LYS 17 -12.800 6.010 -14.114 135 2HZ LYS 17 2HZ LYS 17 -13.116 5.749 -12.466 136 3HZ LYS 17 3HZ LYS 17 -11.815 4.957 -13.219 137 H ASN 18 H ASN 18 -6.786 6.351 -17.096 138 HA ASN 18 HA ASN 18 -6.520 3.820 -18.415 139 1HB ASN 18 2HB ASN 18 -6.096 6.674 -19.299 140 2HB ASN 18 1HB ASN 18 -5.747 5.309 -20.361 141 1HD2 ASN 18 1HD2 ASN 18 -8.121 7.494 -19.861 142 2HD2 ASN 18 2HD2 ASN 18 -9.487 6.552 -20.214 143 H GLU 19 H GLU 19 -4.259 6.129 -17.041 144 HA GLU 19 HA GLU 19 -1.888 5.393 -18.328 145 1HB GLU 19 2HB GLU 19 -2.089 7.315 -16.762 146 2HB GLU 19 1HB GLU 19 -2.207 6.180 -15.419 147 1HG GLU 19 2HG GLU 19 0.025 5.235 -16.126 148 2HG GLU 19 1HG GLU 19 0.147 6.553 -17.292 149 H PHE 20 H PHE 20 -3.405 4.023 -15.403 150 HA PHE 20 HA PHE 20 -1.383 1.929 -15.240 151 1HB PHE 20 2HB PHE 20 -3.744 2.725 -13.567 152 2HB PHE 20 1HB PHE 20 -3.003 1.137 -13.365 153 HD1 PHE 20 HD1 PHE 20 -2.515 4.773 -13.021 154 HD2 PHE 20 HD2 PHE 20 -0.721 0.905 -12.535 155 HE1 PHE 20 HE1 PHE 20 -0.710 5.781 -11.654 156 HE2 PHE 20 HE2 PHE 20 1.078 1.902 -11.161 157 HZ PHE 20 HZ PHE 20 1.089 4.346 -10.722 158 H LYS 21 H LYS 21 -4.890 2.177 -15.868 159 HA LYS 21 HA LYS 21 -5.476 -0.527 -16.152 160 1HB LYS 21 2HB LYS 21 -7.108 1.423 -16.170 161 2HB LYS 21 1HB LYS 21 -6.714 1.617 -17.873 162 1HG LYS 21 2HG LYS 21 -8.697 0.224 -17.698 163 2HG LYS 21 1HG LYS 21 -7.355 -0.785 -18.237 164 1HD LYS 21 2HD LYS 21 -7.193 -1.895 -16.203 165 2HD LYS 21 1HD LYS 21 -7.882 -0.550 -15.296 166 1HE LYS 21 2HE LYS 21 -9.673 -2.032 -15.286 167 2HE LYS 21 1HE LYS 21 -10.036 -1.089 -16.732 168 1HZ LYS 21 1HZ LYS 21 -8.975 -2.775 -18.076 169 2HZ LYS 21 2HZ LYS 21 -10.199 -3.476 -17.130 170 3HZ LYS 21 3HZ LYS 21 -8.568 -3.672 -16.695 171 H ALA 22 H ALA 22 -4.041 1.694 -18.519 172 HA ALA 22 HA ALA 22 -4.239 0.071 -20.813 173 1HB ALA 22 1HB ALA 22 -3.526 2.380 -21.018 174 2HB ALA 22 2HB ALA 22 -2.240 1.338 -21.627 175 3HB ALA 22 3HB ALA 22 -2.101 2.066 -20.026 176 H ALA 23 H ALA 23 -1.677 0.316 -18.368 177 HA ALA 23 HA ALA 23 -0.079 -1.797 -19.483 178 1HB ALA 23 1HB ALA 23 0.782 0.084 -18.011 179 2HB ALA 23 2HB ALA 23 1.306 -1.534 -17.546 180 3HB ALA 23 3HB ALA 23 0.010 -0.735 -16.654 181 H PHE 24 H PHE 24 -2.665 -1.510 -17.164 182 HA PHE 24 HA PHE 24 -2.366 -3.985 -15.832 183 1HB PHE 24 2HB PHE 24 -3.840 -1.965 -15.194 184 2HB PHE 24 1HB PHE 24 -5.020 -2.642 -16.315 185 HD1 PHE 24 HD1 PHE 24 -5.852 -5.005 -15.957 186 HD2 PHE 24 HD2 PHE 24 -3.501 -2.913 -13.038 187 HE1 PHE 24 HE1 PHE 24 -6.575 -6.615 -14.216 188 HE2 PHE 24 HE2 PHE 24 -4.227 -4.517 -11.299 189 HZ PHE 24 HZ PHE 24 -5.768 -6.363 -11.886 190 H ASP 25 H ASP 25 -4.256 -3.051 -18.732 191 HA ASP 25 HA ASP 25 -5.450 -5.640 -18.997 192 1HB ASP 25 2HB ASP 25 -6.268 -4.899 -21.158 193 2HB ASP 25 1HB ASP 25 -6.520 -3.648 -19.952 194 H ILE 26 H ILE 26 -2.415 -4.307 -20.128 195 HA ILE 26 HA ILE 26 -2.006 -6.417 -22.079 196 HB ILE 26 HB ILE 26 0.309 -5.494 -22.258 197 1HG1 ILE 26 2HG1 ILE 26 -0.705 -3.408 -20.298 198 2HG1 ILE 26 1HG1 ILE 26 0.430 -4.687 -19.876 199 1HG2 ILE 26 1HG2 ILE 26 -1.836 -4.621 -23.449 200 2HG2 ILE 26 2HG2 ILE 26 -0.378 -3.630 -23.510 201 3HG2 ILE 26 3HG2 ILE 26 -1.671 -3.229 -22.379 202 1HD1 ILE 26 1HD1 ILE 26 1.485 -2.454 -20.460 203 2HD1 ILE 26 2HD1 ILE 26 0.935 -2.717 -22.115 204 3HD1 ILE 26 3HD1 ILE 26 2.087 -3.834 -21.381 205 H PHE 27 H PHE 27 -1.002 -5.728 -18.761 206 HA PHE 27 HA PHE 27 0.823 -7.946 -18.604 207 1HB PHE 27 2HB PHE 27 -0.439 -6.234 -16.452 208 2HB PHE 27 1HB PHE 27 0.770 -7.477 -16.141 209 HD1 PHE 27 HD1 PHE 27 0.836 -4.299 -15.807 210 HD2 PHE 27 HD2 PHE 27 2.417 -7.054 -18.703 211 HE1 PHE 27 HE1 PHE 27 2.625 -2.679 -16.382 212 HE2 PHE 27 HE2 PHE 27 4.200 -5.434 -19.270 213 HZ PHE 27 HZ PHE 27 4.306 -3.247 -18.110 214 H ILE 28 H ILE 28 -2.584 -7.422 -17.721 215 HA ILE 28 HA ILE 28 -2.770 -10.177 -16.712 216 HB ILE 28 HB ILE 28 -4.965 -9.646 -15.922 217 1HG1 ILE 28 2HG1 ILE 28 -5.564 -7.030 -16.461 218 2HG1 ILE 28 1HG1 ILE 28 -4.792 -7.515 -17.969 219 1HG2 ILE 28 1HG2 ILE 28 -3.256 -7.184 -15.497 220 2HG2 ILE 28 2HG2 ILE 28 -3.030 -8.710 -14.643 221 3HG2 ILE 28 3HG2 ILE 28 -4.521 -7.792 -14.430 222 1HD1 ILE 28 1HD1 ILE 28 -6.424 -9.069 -18.471 223 2HD1 ILE 28 2HD1 ILE 28 -7.397 -7.910 -17.563 224 3HD1 ILE 28 3HD1 ILE 28 -6.805 -9.373 -16.775 225 H GLN 29 H GLN 29 -2.650 -9.014 -19.704 226 HA GLN 29 HA GLN 29 -4.920 -9.646 -21.122 227 1HB GLN 29 2HB GLN 29 -2.927 -8.708 -22.182 228 2HB GLN 29 1HB GLN 29 -2.050 -10.213 -21.908 229 1HG GLN 29 2HG GLN 29 -3.474 -11.421 -23.404 230 2HG GLN 29 1HG GLN 29 -4.617 -10.081 -23.504 231 1HE2 GLN 29 1HE2 GLN 29 -3.531 -7.932 -24.362 232 2HE2 GLN 29 2HE2 GLN 29 -2.434 -8.121 -25.643 233 H ASP 30 H ASP 30 -2.430 -11.875 -19.937 234 HA ASP 30 HA ASP 30 -4.068 -14.166 -20.838 235 1HB ASP 30 2HB ASP 30 -1.449 -13.778 -21.309 236 2HB ASP 30 1HB ASP 30 -1.331 -14.597 -19.752 237 H ALA 31 H ALA 31 -4.641 -12.535 -18.438 238 HA ALA 31 HA ALA 31 -4.058 -14.406 -16.243 239 1HB ALA 31 1HB ALA 31 -3.653 -11.931 -15.943 240 2HB ALA 31 2HB ALA 31 -4.722 -12.657 -14.743 241 3HB ALA 31 3HB ALA 31 -5.397 -11.703 -16.062 242 H GLU 32 H GLU 32 -5.760 -15.056 -14.821 243 HA GLU 32 HA GLU 32 -8.461 -15.044 -16.030 244 1HB GLU 32 2HB GLU 32 -8.724 -17.398 -15.181 245 2HB GLU 32 1HB GLU 32 -7.558 -17.234 -16.492 246 1HG GLU 32 2HG GLU 32 -5.795 -17.803 -15.165 247 2HG GLU 32 1HG GLU 32 -6.417 -16.899 -13.784 248 H ASP 33 H ASP 33 -7.515 -13.265 -14.046 249 HA ASP 33 HA ASP 33 -9.341 -13.947 -11.856 250 1HB ASP 33 2HB ASP 33 -6.419 -13.283 -11.476 251 2HB ASP 33 1HB ASP 33 -7.612 -13.148 -10.185 252 H GLY 34 H GLY 34 -7.044 -11.507 -13.072 253 1HA GLY 34 2HA GLY 34 -7.977 -9.349 -13.825 254 2HA GLY 34 1HA GLY 34 -9.039 -9.410 -12.421 255 H CYS 35 H CYS 35 -5.584 -10.179 -12.634 256 HA CYS 35 HA CYS 35 -4.787 -7.737 -11.284 257 1HB CYS 35 2HB CYS 35 -3.694 -9.016 -9.400 258 2HB CYS 35 1HB CYS 35 -5.452 -8.944 -9.325 259 HG CYS 35 HG CYS 35 -5.582 -11.404 -10.106 260 H ILE 36 H ILE 36 -2.562 -7.357 -11.390 261 HA ILE 36 HA ILE 36 -1.153 -9.007 -13.364 262 HB ILE 36 HB ILE 36 0.468 -7.211 -13.490 263 1HG1 ILE 36 2HG1 ILE 36 -0.400 -5.137 -11.904 264 2HG1 ILE 36 1HG1 ILE 36 -0.684 -6.529 -10.859 265 1HG2 ILE 36 1HG2 ILE 36 -1.500 -6.782 -14.792 266 2HG2 ILE 36 2HG2 ILE 36 -1.077 -5.265 -13.998 267 3HG2 ILE 36 3HG2 ILE 36 -2.400 -6.249 -13.371 268 1HD1 ILE 36 1HD1 ILE 36 1.894 -6.667 -12.245 269 2HD1 ILE 36 2HD1 ILE 36 1.530 -6.866 -10.529 270 3HD1 ILE 36 3HD1 ILE 36 1.752 -5.250 -11.204 271 H SER 37 H SER 37 1.350 -9.161 -12.859 272 HA SER 37 HA SER 37 1.523 -10.572 -10.296 273 1HB SER 37 2HB SER 37 2.365 -11.513 -12.553 274 2HB SER 37 1HB SER 37 3.723 -10.412 -12.346 275 HG SER 37 HG SER 37 2.990 -12.676 -10.885 276 H THR 38 H THR 38 2.293 -9.581 -8.559 277 HA THR 38 HA THR 38 3.363 -6.997 -8.463 278 HB THR 38 HB THR 38 4.145 -7.571 -6.186 279 HG1 THR 38 HG1 THR 38 4.493 -9.569 -5.679 280 1HG2 THR 38 1HG2 THR 38 1.875 -8.485 -5.381 281 2HG2 THR 38 2HG2 THR 38 1.419 -8.483 -7.084 282 3HG2 THR 38 3HG2 THR 38 1.860 -6.974 -6.289 283 H LYS 39 H LYS 39 4.908 -10.115 -8.901 284 HA LYS 39 HA LYS 39 7.611 -9.263 -8.567 285 1HB LYS 39 2HB LYS 39 6.602 -11.576 -10.243 286 2HB LYS 39 1HB LYS 39 8.226 -11.372 -9.584 287 1HG LYS 39 2HG LYS 39 7.561 -11.863 -7.418 288 2HG LYS 39 1HG LYS 39 5.906 -11.321 -7.694 289 1HD LYS 39 2HD LYS 39 5.631 -13.309 -9.253 290 2HD LYS 39 1HD LYS 39 7.183 -13.892 -8.650 291 1HE LYS 39 2HE LYS 39 5.061 -13.114 -6.678 292 2HE LYS 39 1HE LYS 39 4.939 -14.672 -7.496 293 1HZ LYS 39 1HZ LYS 39 7.264 -13.698 -5.925 294 2HZ LYS 39 2HZ LYS 39 7.196 -15.178 -6.755 295 3HZ LYS 39 3HZ LYS 39 6.160 -14.889 -5.440 296 H GLU 40 H GLU 40 5.373 -9.335 -11.289 297 HA GLU 40 HA GLU 40 7.404 -8.657 -13.237 298 1HB GLU 40 2HB GLU 40 5.755 -8.866 -14.865 299 2HB GLU 40 1HB GLU 40 5.187 -9.981 -13.625 300 1HG GLU 40 2HG GLU 40 3.269 -8.825 -13.425 301 2HG GLU 40 1HG GLU 40 4.161 -7.355 -13.045 302 H LEU 41 H LEU 41 6.238 -6.808 -10.825 303 HA LEU 41 HA LEU 41 5.237 -4.464 -11.938 304 1HB LEU 41 2HB LEU 41 6.324 -5.248 -9.420 305 2HB LEU 41 1HB LEU 41 7.037 -3.720 -9.871 306 HG LEU 41 HG LEU 41 5.007 -3.482 -8.458 307 1HD1 LEU 41 1HD1 LEU 41 5.295 -2.322 -11.179 308 2HD1 LEU 41 2HD1 LEU 41 5.234 -1.518 -9.612 309 3HD1 LEU 41 3HD1 LEU 41 3.742 -2.064 -10.381 310 1HD2 LEU 41 1HD2 LEU 41 3.636 -4.708 -10.874 311 2HD2 LEU 41 2HD2 LEU 41 2.796 -3.941 -9.525 312 3HD2 LEU 41 3HD2 LEU 41 3.734 -5.411 -9.259 313 H GLY 42 H GLY 42 8.470 -5.752 -12.158 314 1HA GLY 42 2HA GLY 42 9.978 -3.427 -12.590 315 2HA GLY 42 1HA GLY 42 10.336 -5.005 -13.289 316 H LYS 43 H LYS 43 7.923 -5.309 -14.785 317 HA LYS 43 HA LYS 43 8.582 -3.840 -17.163 318 1HB LYS 43 2HB LYS 43 6.147 -5.540 -16.552 319 2HB LYS 43 1HB LYS 43 6.624 -4.963 -18.149 320 1HG LYS 43 2HG LYS 43 8.776 -6.188 -17.924 321 2HG LYS 43 1HG LYS 43 8.238 -6.812 -16.365 322 1HD LYS 43 2HD LYS 43 6.143 -7.633 -17.701 323 2HD LYS 43 1HD LYS 43 7.182 -7.437 -19.114 324 1HE LYS 43 2HE LYS 43 8.003 -9.030 -16.672 325 2HE LYS 43 1HE LYS 43 7.214 -9.754 -18.072 326 1HZ LYS 43 1HZ LYS 43 9.841 -8.388 -17.971 327 2HZ LYS 43 2HZ LYS 43 9.041 -8.724 -19.432 328 3HZ LYS 43 3HZ LYS 43 9.516 -9.994 -18.409 329 H VAL 44 H VAL 44 6.475 -3.293 -14.481 330 HA VAL 44 HA VAL 44 4.765 -1.388 -15.866 331 HB VAL 44 HB VAL 44 4.912 -1.810 -12.882 332 1HG1 VAL 44 1HG1 VAL 44 2.695 -0.944 -12.901 333 2HG1 VAL 44 2HG1 VAL 44 2.558 -1.130 -14.649 334 3HG1 VAL 44 3HG1 VAL 44 3.623 0.102 -13.973 335 1HG2 VAL 44 1HG2 VAL 44 3.626 -3.728 -12.986 336 2HG2 VAL 44 2HG2 VAL 44 4.558 -3.938 -14.467 337 3HG2 VAL 44 3HG2 VAL 44 2.917 -3.296 -14.540 338 H MET 45 H MET 45 7.226 -1.390 -13.302 339 HA MET 45 HA MET 45 7.298 1.315 -12.691 340 1HB MET 45 2HB MET 45 9.008 -0.969 -12.264 341 2HB MET 45 1HB MET 45 9.985 0.444 -12.661 342 1HG MET 45 2HG MET 45 9.756 0.839 -10.412 343 2HG MET 45 1HG MET 45 8.256 1.595 -10.948 344 1HE MET 45 1HE MET 45 7.009 0.262 -7.811 345 2HE MET 45 2HE MET 45 6.033 0.840 -9.158 346 3HE MET 45 3HE MET 45 7.591 1.591 -8.822 347 H ARG 46 H ARG 46 9.013 -0.433 -15.278 348 HA ARG 46 HA ARG 46 10.476 1.798 -16.249 349 1HB ARG 46 2HB ARG 46 10.743 0.493 -18.333 350 2HB ARG 46 1HB ARG 46 11.086 -0.473 -16.899 351 1HG ARG 46 2HG ARG 46 8.945 -1.564 -17.023 352 2HG ARG 46 1HG ARG 46 8.386 -0.453 -18.272 353 1HD ARG 46 2HD ARG 46 9.014 -2.510 -19.357 354 2HD ARG 46 1HD ARG 46 10.230 -1.300 -19.754 355 HE ARG 46 HE ARG 46 11.051 -2.728 -17.447 356 1HH1 ARG 46 2HH1 ARG 46 10.579 -3.146 -20.881 357 2HH1 ARG 46 1HH1 ARG 46 11.809 -4.355 -21.030 358 1HH2 ARG 46 1HH2 ARG 46 12.658 -4.313 -17.664 359 2HH2 ARG 46 2HH2 ARG 46 12.983 -5.015 -19.213 360 H MET 47 H MET 47 7.200 0.668 -16.842 361 HA MET 47 HA MET 47 6.700 2.452 -19.058 362 1HB MET 47 2HB MET 47 4.930 0.705 -17.345 363 2HB MET 47 1HB MET 47 4.270 1.792 -18.567 364 1HG MET 47 2HG MET 47 6.515 0.010 -19.398 365 2HG MET 47 1HG MET 47 4.940 -0.740 -19.139 366 1HE MET 47 1HE MET 47 6.375 2.666 -21.265 367 2HE MET 47 2HE MET 47 6.601 1.449 -22.519 368 3HE MET 47 3HE MET 47 7.257 1.175 -20.907 369 H LEU 48 H LEU 48 6.273 2.517 -15.565 370 HA LEU 48 HA LEU 48 4.601 4.865 -15.529 371 1HB LEU 48 2HB LEU 48 5.967 3.164 -13.510 372 2HB LEU 48 1HB LEU 48 5.573 4.802 -13.041 373 HG LEU 48 HG LEU 48 3.246 4.409 -13.224 374 1HD1 LEU 48 1HD1 LEU 48 2.802 3.314 -15.210 375 2HD1 LEU 48 2HD1 LEU 48 2.602 1.966 -14.091 376 3HD1 LEU 48 3HD1 LEU 48 4.110 2.153 -14.987 377 1HD2 LEU 48 1HD2 LEU 48 3.584 1.704 -12.277 378 2HD2 LEU 48 2HD2 LEU 48 3.222 3.160 -11.349 379 3HD2 LEU 48 3HD2 LEU 48 4.898 2.710 -11.663 380 H GLY 49 H GLY 49 8.035 4.194 -15.444 381 1HA GLY 49 2HA GLY 49 9.494 5.995 -16.304 382 2HA GLY 49 1HA GLY 49 8.581 7.107 -15.293 383 H GLN 50 H GLN 50 9.547 3.899 -14.212 384 HA GLN 50 HA GLN 50 11.649 5.081 -12.498 385 1HB GLN 50 2HB GLN 50 9.710 2.970 -11.533 386 2HB GLN 50 1HB GLN 50 10.891 3.863 -10.579 387 1HG GLN 50 2HG GLN 50 8.558 5.166 -12.016 388 2HG GLN 50 1HG GLN 50 8.518 4.685 -10.321 389 1HE2 GLN 50 1HE2 GLN 50 8.603 7.446 -11.805 390 2HE2 GLN 50 2HE2 GLN 50 9.815 8.289 -10.970 391 H ASN 51 H ASN 51 13.207 3.485 -11.693 392 HA ASN 51 HA ASN 51 13.236 0.885 -13.031 393 1HB ASN 51 2HB ASN 51 15.639 1.318 -13.791 394 2HB ASN 51 1HB ASN 51 14.368 2.100 -14.725 395 1HD2 ASN 51 1HD2 ASN 51 17.174 2.672 -12.748 396 2HD2 ASN 51 2HD2 ASN 51 17.092 4.367 -12.763 397 HA PRO 52 HA PRO 52 15.213 0.966 -8.814 398 1HB PRO 52 2HB PRO 52 13.235 -0.324 -7.439 399 2HB PRO 52 1HB PRO 52 13.280 1.430 -7.672 400 1HG PRO 52 2HG PRO 52 11.524 -0.582 -8.921 401 2HG PRO 52 1HG PRO 52 11.257 1.150 -8.679 402 1HD PRO 52 2HD PRO 52 12.056 -0.153 -11.099 403 2HD PRO 52 1HD PRO 52 11.924 1.598 -10.812 404 H THR 53 H THR 53 14.835 -1.262 -7.184 405 HA THR 53 HA THR 53 15.870 -3.453 -8.874 406 HB THR 53 HB THR 53 17.130 -4.181 -7.041 407 HG1 THR 53 HG1 THR 53 16.374 -4.156 -5.082 408 1HG2 THR 53 1HG2 THR 53 17.807 -1.880 -7.789 409 2HG2 THR 53 2HG2 THR 53 18.269 -2.270 -6.132 410 3HG2 THR 53 3HG2 THR 53 16.878 -1.231 -6.437 411 HA PRO 54 HA PRO 54 12.423 -6.037 -7.896 412 1HB PRO 54 2HB PRO 54 13.531 -8.419 -7.107 413 2HB PRO 54 1HB PRO 54 13.481 -7.854 -8.784 414 1HG PRO 54 2HG PRO 54 15.760 -7.896 -6.873 415 2HG PRO 54 1HG PRO 54 15.760 -8.076 -8.634 416 1HD PRO 54 2HD PRO 54 16.460 -5.753 -7.268 417 2HD PRO 54 1HD PRO 54 15.975 -5.813 -8.977 418 H GLU 55 H GLU 55 14.848 -5.794 -5.365 419 HA GLU 55 HA GLU 55 13.085 -6.726 -3.253 420 1HB GLU 55 2HB GLU 55 15.838 -5.475 -3.262 421 2HB GLU 55 1HB GLU 55 14.963 -5.831 -1.773 422 1HG GLU 55 2HG GLU 55 14.716 -8.217 -2.625 423 2HG GLU 55 1HG GLU 55 15.860 -7.792 -3.899 424 H GLU 56 H GLU 56 14.179 -3.673 -4.642 425 HA GLU 56 HA GLU 56 13.094 -1.976 -2.607 426 1HB GLU 56 2HB GLU 56 14.895 -1.496 -4.479 427 2HB GLU 56 1HB GLU 56 13.478 -1.028 -5.420 428 1HG GLU 56 2HG GLU 56 12.937 0.731 -3.980 429 2HG GLU 56 1HG GLU 56 13.812 0.021 -2.623 430 H LEU 57 H LEU 57 11.931 -3.100 -5.787 431 HA LEU 57 HA LEU 57 9.536 -1.539 -5.719 432 1HB LEU 57 2HB LEU 57 8.857 -2.771 -7.648 433 2HB LEU 57 1HB LEU 57 10.549 -2.371 -7.806 434 HG LEU 57 HG LEU 57 10.889 -4.816 -6.851 435 1HD1 LEU 57 1HD1 LEU 57 8.795 -5.688 -6.424 436 2HD1 LEU 57 2HD1 LEU 57 8.919 -6.124 -8.127 437 3HD1 LEU 57 3HD1 LEU 57 8.018 -4.687 -7.650 438 1HD2 LEU 57 1HD2 LEU 57 11.741 -4.297 -8.993 439 2HD2 LEU 57 2HD2 LEU 57 10.140 -3.944 -9.641 440 3HD2 LEU 57 3HD2 LEU 57 10.610 -5.611 -9.311 441 H GLN 58 H GLN 58 10.411 -4.743 -4.556 442 HA GLN 58 HA GLN 58 7.806 -5.793 -4.250 443 1HB GLN 58 2HB GLN 58 10.491 -6.534 -3.415 444 2HB GLN 58 1HB GLN 58 9.296 -6.894 -2.170 445 1HG GLN 58 2HG GLN 58 9.021 -7.700 -5.081 446 2HG GLN 58 1HG GLN 58 9.601 -8.769 -3.805 447 1HE2 GLN 58 1HE2 GLN 58 6.757 -7.566 -5.350 448 2HE2 GLN 58 2HE2 GLN 58 5.627 -8.203 -4.255 449 H GLU 59 H GLU 59 9.837 -3.887 -2.009 450 HA GLU 59 HA GLU 59 8.053 -4.042 0.192 451 1HB GLU 59 2HB GLU 59 9.301 -2.186 1.150 452 2HB GLU 59 1HB GLU 59 10.413 -3.343 0.424 453 1HG GLU 59 2HG GLU 59 11.188 -1.817 -1.045 454 2HG GLU 59 1HG GLU 59 9.560 -1.317 -1.494 455 H MET 60 H MET 60 8.100 -2.014 -2.664 456 HA MET 60 HA MET 60 6.222 -0.066 -1.660 457 1HB MET 60 2HB MET 60 6.830 -0.654 -4.563 458 2HB MET 60 1HB MET 60 6.192 0.839 -3.877 459 1HG MET 60 2HG MET 60 8.392 0.864 -2.482 460 2HG MET 60 1HG MET 60 8.974 -0.282 -3.688 461 1HE MET 60 1HE MET 60 10.539 1.880 -6.055 462 2HE MET 60 2HE MET 60 10.307 0.320 -5.269 463 3HE MET 60 3HE MET 60 10.973 1.670 -4.353 464 H ILE 61 H ILE 61 6.083 -3.123 -3.325 465 HA ILE 61 HA ILE 61 3.287 -2.909 -4.050 466 HB ILE 61 HB ILE 61 5.191 -5.265 -4.021 467 1HG1 ILE 61 2HG1 ILE 61 4.024 -4.001 -6.477 468 2HG1 ILE 61 1HG1 ILE 61 5.368 -3.192 -5.669 469 1HG2 ILE 61 1HG2 ILE 61 2.324 -5.183 -4.194 470 2HG2 ILE 61 2HG2 ILE 61 3.393 -6.581 -4.305 471 3HG2 ILE 61 3HG2 ILE 61 2.978 -5.670 -5.758 472 1HD1 ILE 61 1HD1 ILE 61 5.373 -6.088 -6.564 473 2HD1 ILE 61 2HD1 ILE 61 6.720 -5.226 -5.822 474 3HD1 ILE 61 3HD1 ILE 61 6.153 -4.763 -7.425 475 H ASP 62 H ASP 62 5.216 -4.606 -1.604 476 HA ASP 62 HA ASP 62 3.163 -6.029 -0.341 477 1HB ASP 62 2HB ASP 62 5.672 -6.237 0.055 478 2HB ASP 62 1HB ASP 62 5.525 -4.836 1.114 479 H GLU 63 H GLU 63 4.350 -2.715 0.281 480 HA GLU 63 HA GLU 63 2.712 -2.212 2.532 481 1HB GLU 63 2HB GLU 63 3.221 0.150 2.164 482 2HB GLU 63 1HB GLU 63 4.669 -0.836 1.980 483 1HG GLU 63 2HG GLU 63 4.426 -0.776 -0.458 484 2HG GLU 63 1HG GLU 63 2.949 0.173 -0.303 485 H VAL 64 H VAL 64 2.137 -1.743 -0.944 486 HA VAL 64 HA VAL 64 -0.415 -0.440 -0.504 487 HB VAL 64 HB VAL 64 0.910 0.129 -2.497 488 1HG1 VAL 64 1HG1 VAL 64 1.977 -1.997 -2.960 489 2HG1 VAL 64 2HG1 VAL 64 1.011 -1.547 -4.363 490 3HG1 VAL 64 3HG1 VAL 64 0.417 -2.769 -3.241 491 1HG2 VAL 64 1HG2 VAL 64 -1.713 0.021 -2.405 492 2HG2 VAL 64 2HG2 VAL 64 -1.515 -1.324 -3.526 493 3HG2 VAL 64 3HG2 VAL 64 -0.913 0.277 -3.956 494 H ASP 65 H ASP 65 0.706 -3.716 -1.211 495 HA ASP 65 HA ASP 65 -1.884 -4.756 -1.840 496 1HB ASP 65 2HB ASP 65 0.732 -5.727 -1.991 497 2HB ASP 65 1HB ASP 65 -0.044 -6.739 -0.778 498 H GLU 66 H GLU 66 -3.474 -4.891 -0.459 499 HA GLU 66 HA GLU 66 -3.249 -4.600 2.341 500 1HB GLU 66 2HB GLU 66 -5.553 -5.883 0.857 501 2HB GLU 66 1HB GLU 66 -5.604 -5.120 2.445 502 1HG GLU 66 2HG GLU 66 -4.868 -2.970 1.338 503 2HG GLU 66 1HG GLU 66 -5.086 -3.773 -0.217 504 H ASP 67 H ASP 67 -3.857 -7.499 0.354 505 HA ASP 67 HA ASP 67 -3.494 -9.183 2.727 506 1HB ASP 67 2HB ASP 67 -4.483 -10.956 1.518 507 2HB ASP 67 1HB ASP 67 -5.419 -9.525 1.100 508 H GLY 68 H GLY 68 -1.856 -8.364 -0.266 509 1HA GLY 68 2HA GLY 68 0.348 -8.738 -0.871 510 2HA GLY 68 1HA GLY 68 0.592 -9.552 0.671 511 H SER 69 H SER 69 -1.649 -10.225 -2.013 512 HA SER 69 HA SER 69 -1.110 -13.055 -1.898 513 1HB SER 69 2HB SER 69 -2.507 -12.879 -4.162 514 2HB SER 69 1HB SER 69 -3.279 -12.764 -2.585 515 HG SER 69 HG SER 69 -2.370 -10.588 -4.183 516 H GLY 70 H GLY 70 0.596 -10.531 -3.363 517 1HA GLY 70 2HA GLY 70 2.532 -10.743 -4.661 518 2HA GLY 70 1HA GLY 70 2.088 -12.411 -5.014 519 H THR 71 H THR 71 -0.419 -10.077 -5.362 520 HA THR 71 HA THR 71 0.065 -9.700 -8.227 521 HB THR 71 HB THR 71 -2.149 -10.458 -8.856 522 HG1 THR 71 HG1 THR 71 -2.502 -11.256 -6.158 523 1HG2 THR 71 1HG2 THR 71 -0.362 -12.157 -8.764 524 2HG2 THR 71 2HG2 THR 71 -1.929 -12.865 -8.373 525 3HG2 THR 71 3HG2 THR 71 -0.776 -12.502 -7.085 526 H VAL 72 H VAL 72 -0.616 -7.749 -8.950 527 HA VAL 72 HA VAL 72 -1.879 -5.975 -6.967 528 HB VAL 72 HB VAL 72 -0.688 -5.132 -9.606 529 1HG1 VAL 72 1HG1 VAL 72 -0.430 -2.983 -8.370 530 2HG1 VAL 72 2HG1 VAL 72 -1.228 -3.716 -6.978 531 3HG1 VAL 72 3HG1 VAL 72 -2.114 -3.494 -8.487 532 1HG2 VAL 72 1HG2 VAL 72 0.670 -5.501 -6.918 533 2HG2 VAL 72 2HG2 VAL 72 1.358 -4.563 -8.245 534 3HG2 VAL 72 3HG2 VAL 72 1.088 -6.296 -8.436 535 H ASP 73 H ASP 73 -3.956 -5.543 -7.116 536 HA ASP 73 HA ASP 73 -5.442 -6.156 -9.561 537 1HB ASP 73 2HB ASP 73 -6.309 -5.214 -6.812 538 2HB ASP 73 1HB ASP 73 -7.424 -5.451 -8.157 539 H PHE 74 H PHE 74 -7.094 -4.408 -10.271 540 HA PHE 74 HA PHE 74 -5.683 -2.124 -11.086 541 1HB PHE 74 2HB PHE 74 -7.822 -3.061 -12.118 542 2HB PHE 74 1HB PHE 74 -8.691 -2.184 -10.857 543 HD1 PHE 74 HD1 PHE 74 -5.600 -1.322 -12.783 544 HD2 PHE 74 HD2 PHE 74 -9.679 -0.319 -11.887 545 HE1 PHE 74 HE1 PHE 74 -5.381 0.767 -14.101 546 HE2 PHE 74 HE2 PHE 74 -9.454 1.771 -13.200 547 HZ PHE 74 HZ PHE 74 -7.308 2.313 -14.308 548 H ASP 75 H ASP 75 -7.700 -2.680 -8.245 549 HA ASP 75 HA ASP 75 -7.904 0.039 -7.412 550 1HB ASP 75 2HB ASP 75 -9.247 -2.005 -6.564 551 2HB ASP 75 1HB ASP 75 -7.862 -2.303 -5.513 552 H GLU 76 H GLU 76 -5.642 -2.595 -6.636 553 HA GLU 76 HA GLU 76 -4.029 -1.032 -4.844 554 1HB GLU 76 2HB GLU 76 -3.256 -3.567 -6.313 555 2HB GLU 76 1HB GLU 76 -2.489 -2.904 -4.870 556 1HG GLU 76 2HG GLU 76 -4.575 -3.222 -3.597 557 2HG GLU 76 1HG GLU 76 -5.368 -3.855 -5.038 558 H PHE 77 H PHE 77 -4.100 -1.596 -8.287 559 HA PHE 77 HA PHE 77 -1.470 -0.806 -8.967 560 1HB PHE 77 2HB PHE 77 -3.499 -1.887 -10.357 561 2HB PHE 77 1HB PHE 77 -3.727 -0.208 -10.817 562 HD1 PHE 77 HD1 PHE 77 -3.252 -0.928 -13.134 563 HD2 PHE 77 HD2 PHE 77 -0.279 -1.233 -10.032 564 HE1 PHE 77 HE1 PHE 77 -1.479 -1.160 -14.837 565 HE2 PHE 77 HE2 PHE 77 1.480 -1.455 -11.749 566 HZ PHE 77 HZ PHE 77 0.883 -1.426 -14.155 567 H LEU 78 H LEU 78 -4.547 1.006 -9.128 568 HA LEU 78 HA LEU 78 -3.367 3.508 -9.775 569 1HB LEU 78 2HB LEU 78 -6.039 2.601 -8.824 570 2HB LEU 78 1HB LEU 78 -5.652 4.305 -8.672 571 HG LEU 78 HG LEU 78 -5.497 4.582 -11.023 572 1HD1 LEU 78 1HD1 LEU 78 -5.408 2.761 -12.614 573 2HD1 LEU 78 2HD1 LEU 78 -5.654 1.574 -11.332 574 3HD1 LEU 78 3HD1 LEU 78 -4.153 2.495 -11.405 575 1HD2 LEU 78 1HD2 LEU 78 -7.650 3.609 -11.849 576 2HD2 LEU 78 2HD2 LEU 78 -7.804 4.378 -10.270 577 3HD2 LEU 78 3HD2 LEU 78 -7.721 2.620 -10.392 578 H VAL 79 H VAL 79 -4.119 1.921 -6.712 579 HA VAL 79 HA VAL 79 -3.773 4.151 -4.998 580 HB VAL 79 HB VAL 79 -3.702 1.176 -4.662 581 1HG1 VAL 79 1HG1 VAL 79 -2.785 3.163 -2.559 582 2HG1 VAL 79 2HG1 VAL 79 -1.795 1.915 -3.322 583 3HG1 VAL 79 3HG1 VAL 79 -3.132 1.457 -2.263 584 1HG2 VAL 79 1HG2 VAL 79 -5.774 2.689 -4.597 585 2HG2 VAL 79 2HG2 VAL 79 -5.151 3.294 -3.062 586 3HG2 VAL 79 3HG2 VAL 79 -5.562 1.587 -3.235 587 H MET 80 H MET 80 -1.513 1.607 -6.040 588 HA MET 80 HA MET 80 0.794 2.296 -4.723 589 1HB MET 80 2HB MET 80 0.157 0.602 -6.824 590 2HB MET 80 1HB MET 80 1.330 1.710 -7.533 591 1HG MET 80 2HG MET 80 2.575 1.250 -5.202 592 2HG MET 80 1HG MET 80 1.676 -0.261 -5.328 593 1HE MET 80 1HE MET 80 1.397 -1.517 -7.211 594 2HE MET 80 2HE MET 80 2.791 -2.181 -8.060 595 3HE MET 80 3HE MET 80 1.844 -0.897 -8.807 596 H MET 81 H MET 81 -0.709 4.017 -7.407 597 HA MET 81 HA MET 81 1.499 5.577 -8.232 598 1HB MET 81 2HB MET 81 -0.640 5.399 -9.496 599 2HB MET 81 1HB MET 81 -1.427 6.360 -8.247 600 1HG MET 81 2HG MET 81 0.123 8.226 -8.690 601 2HG MET 81 1HG MET 81 0.930 7.266 -9.928 602 1HE MET 81 1HE MET 81 -3.263 7.183 -9.667 603 2HE MET 81 2HE MET 81 -3.258 8.942 -9.774 604 3HE MET 81 3HE MET 81 -2.320 8.141 -8.517 605 H VAL 82 H VAL 82 -1.193 6.414 -6.034 606 HA VAL 82 HA VAL 82 -0.027 8.865 -5.153 607 HB VAL 82 HB VAL 82 -1.726 8.742 -3.317 608 1HG1 VAL 82 1HG1 VAL 82 -2.561 8.282 -6.187 609 2HG1 VAL 82 2HG1 VAL 82 -2.381 9.823 -5.346 610 3HG1 VAL 82 3HG1 VAL 82 -3.705 8.736 -4.923 611 1HG2 VAL 82 1HG2 VAL 82 -3.268 6.916 -3.202 612 2HG2 VAL 82 2HG2 VAL 82 -1.662 6.189 -3.251 613 3HG2 VAL 82 3HG2 VAL 82 -2.661 6.220 -4.705 614 H ARG 83 H ARG 83 0.294 5.540 -4.136 615 HA ARG 83 HA ARG 83 1.350 5.977 -1.534 616 1HB ARG 83 2HB ARG 83 1.711 3.693 -3.489 617 2HB ARG 83 1HB ARG 83 2.354 3.679 -1.847 618 1HG ARG 83 2HG ARG 83 -0.454 4.466 -1.894 619 2HG ARG 83 1HG ARG 83 -0.207 2.877 -2.621 620 1HD ARG 83 2HD ARG 83 0.570 1.942 -0.660 621 2HD ARG 83 1HD ARG 83 1.225 3.465 -0.069 622 HE ARG 83 HE ARG 83 -1.632 3.550 -0.179 623 1HH1 ARG 83 2HH1 ARG 83 1.060 2.281 1.650 624 2HH1 ARG 83 1HH1 ARG 83 0.187 2.236 3.143 625 1HH2 ARG 83 1HH2 ARG 83 -2.757 3.484 1.788 626 2HH2 ARG 83 2HH2 ARG 83 -1.969 2.915 3.222 627 H CYS 84 H CYS 84 2.787 5.804 -4.756 628 HA CYS 84 HA CYS 84 5.504 6.081 -3.749 629 1HB CYS 84 2HB CYS 84 4.708 4.832 -5.912 630 2HB CYS 84 1HB CYS 84 4.749 6.440 -6.633 631 HG CYS 84 HG CYS 84 7.201 4.797 -5.796 632 H MET 85 H MET 85 3.129 8.066 -5.510 633 HA MET 85 HA MET 85 4.788 10.358 -5.815 634 1HB MET 85 2HB MET 85 2.407 9.680 -6.858 635 2HB MET 85 1HB MET 85 1.846 10.725 -5.553 636 1HG MET 85 2HG MET 85 2.244 12.425 -7.003 637 2HG MET 85 1HG MET 85 3.940 12.182 -6.589 638 1HE MET 85 1HE MET 85 5.604 12.112 -9.097 639 2HE MET 85 2HE MET 85 5.607 10.350 -9.086 640 3HE MET 85 3HE MET 85 5.505 11.233 -7.565 641 H LYS 86 H LYS 86 2.699 9.204 -3.245 642 HA LYS 86 HA LYS 86 2.507 9.810 -1.048 643 1HB LYS 86 2HB LYS 86 5.060 10.597 -1.600 644 2HB LYS 86 1HB LYS 86 4.324 12.133 -1.143 645 1HG LYS 86 2HG LYS 86 5.188 11.092 0.866 646 2HG LYS 86 1HG LYS 86 3.428 11.011 0.924 647 1HD LYS 86 2HD LYS 86 3.769 8.802 1.363 648 2HD LYS 86 1HD LYS 86 4.019 8.674 -0.378 649 1HE LYS 86 2HE LYS 86 6.320 9.406 1.419 650 2HE LYS 86 1HE LYS 86 5.842 7.718 1.243 651 1HZ LYS 86 1HZ LYS 86 5.972 8.126 -1.230 652 2HZ LYS 86 2HZ LYS 86 7.453 8.103 -0.397 653 3HZ LYS 86 3HZ LYS 86 6.761 9.583 -0.865 654 H ASP 87 H ASP 87 0.608 10.661 -0.626 655 HA ASP 87 HA ASP 87 -0.145 13.260 -1.777 656 1HB ASP 87 2HB ASP 87 -1.589 11.036 -1.746 657 2HB ASP 87 1HB ASP 87 -2.021 11.602 -0.134 658 H ASP 88 H ASP 88 1.795 13.459 0.195 659 HA ASP 88 HA ASP 88 0.350 14.975 2.242 660 1HB ASP 88 2HB ASP 88 2.300 12.744 2.867 661 2HB ASP 88 1HB ASP 88 1.817 13.972 4.036 662 H SER 89 HN SER 89 1.661 16.103 0.163 663 HA SER 89 HA SER 89 4.406 16.731 0.926 664 1HB SER 89 2HB SER 89 2.658 17.600 -1.379 665 2HB SER 89 1HB SER 89 4.259 18.278 -1.093 666 HG SER 89 HG SER 89 4.554 16.554 -2.428 Start of MODEL 28 1 1H MET 1 1H MET 1 -8.363 7.812 10.558 2 2H MET 1 2H MET 1 -9.213 6.426 10.064 3 3H MET 1 3H MET 1 -10.044 7.729 10.766 4 HA MET 1 HA MET 1 -10.316 7.609 8.329 5 1HB MET 1 2HB MET 1 -10.160 9.779 9.878 6 2HB MET 1 1HB MET 1 -8.732 10.087 8.890 7 1HG MET 1 2HG MET 1 -10.014 10.055 6.866 8 2HG MET 1 1HG MET 1 -11.430 9.412 7.698 9 1HE MET 1 1HE MET 1 -13.288 12.131 9.116 10 2HE MET 1 2HE MET 1 -12.910 10.413 9.036 11 3HE MET 1 3HE MET 1 -13.409 11.265 7.577 12 H ASN 2 H ASN 2 -9.053 6.117 7.215 13 HA ASN 2 HA ASN 2 -6.392 7.093 6.346 14 1HB ASN 2 2HB ASN 2 -7.240 4.203 6.691 15 2HB ASN 2 1HB ASN 2 -5.658 4.768 6.154 16 1HD2 ASN 2 1HD2 ASN 2 -7.910 5.030 8.952 17 2HD2 ASN 2 2HD2 ASN 2 -6.682 5.200 10.113 18 H ASP 3 H ASP 3 -9.077 7.508 5.167 19 HA ASP 3 HA ASP 3 -9.014 5.886 2.731 20 1HB ASP 3 2HB ASP 3 -11.149 6.944 2.196 21 2HB ASP 3 1HB ASP 3 -11.181 6.309 3.840 22 H ILE 4 H ILE 4 -7.017 8.141 3.474 23 HA ILE 4 HA ILE 4 -7.433 10.253 1.605 24 HB ILE 4 HB ILE 4 -5.056 10.809 1.994 25 1HG1 ILE 4 2HG1 ILE 4 -4.149 9.202 3.995 26 2HG1 ILE 4 1HG1 ILE 4 -5.055 8.026 3.043 27 1HG2 ILE 4 1HG2 ILE 4 -6.600 10.052 4.493 28 2HG2 ILE 4 2HG2 ILE 4 -6.755 11.563 3.597 29 3HG2 ILE 4 3HG2 ILE 4 -5.249 11.185 4.433 30 1HD1 ILE 4 1HD1 ILE 4 -3.775 8.489 1.077 31 2HD1 ILE 4 2HD1 ILE 4 -2.608 8.326 2.388 32 3HD1 ILE 4 3HD1 ILE 4 -3.056 9.927 1.802 33 H TYR 5 H TYR 5 -5.986 7.075 1.390 34 HA TYR 5 HA TYR 5 -4.577 7.458 -1.064 35 1HB TYR 5 2HB TYR 5 -5.662 4.905 0.162 36 2HB TYR 5 1HB TYR 5 -4.510 4.992 -1.172 37 HD1 TYR 5 HD1 TYR 5 -2.212 5.839 -0.805 38 HD2 TYR 5 HD2 TYR 5 -4.994 5.413 2.441 39 HE1 TYR 5 HE1 TYR 5 -0.354 6.066 0.817 40 HE2 TYR 5 HE2 TYR 5 -3.136 5.639 4.062 41 HH TYR 5 HH TYR 5 -0.280 5.120 3.674 42 H LYS 6 H LYS 6 -7.857 6.477 -0.213 43 HA LYS 6 HA LYS 6 -8.589 5.913 -2.974 44 1HB LYS 6 2HB LYS 6 -9.939 5.715 -0.323 45 2HB LYS 6 1HB LYS 6 -10.958 5.905 -1.751 46 1HG LYS 6 2HG LYS 6 -10.115 3.923 -2.754 47 2HG LYS 6 1HG LYS 6 -8.748 3.848 -1.642 48 1HD LYS 6 2HD LYS 6 -11.388 3.836 -0.322 49 2HD LYS 6 1HD LYS 6 -11.070 2.424 -1.330 50 1HE LYS 6 2HE LYS 6 -10.113 1.729 0.669 51 2HE LYS 6 1HE LYS 6 -8.719 2.483 -0.104 52 1HZ LYS 6 1HZ LYS 6 -9.128 3.170 2.245 53 2HZ LYS 6 2HZ LYS 6 -10.551 3.936 1.722 54 3HZ LYS 6 3HZ LYS 6 -9.040 4.453 1.140 55 H ALA 7 H ALA 7 -8.507 8.655 -0.883 56 HA ALA 7 HA ALA 7 -10.650 10.152 -2.039 57 1HB ALA 7 1HB ALA 7 -9.482 12.110 -0.962 58 2HB ALA 7 2HB ALA 7 -8.221 10.991 -0.444 59 3HB ALA 7 3HB ALA 7 -9.873 10.792 0.142 60 H ALA 8 H ALA 8 -7.308 9.594 -2.915 61 HA ALA 8 HA ALA 8 -7.192 11.824 -4.774 62 1HB ALA 8 1HB ALA 8 -5.230 9.599 -4.931 63 2HB ALA 8 2HB ALA 8 -5.243 10.557 -3.451 64 3HB ALA 8 3HB ALA 8 -4.966 11.341 -5.005 65 H VAL 9 H VAL 9 -7.394 8.270 -4.965 66 HA VAL 9 HA VAL 9 -7.378 8.082 -7.783 67 HB VAL 9 HB VAL 9 -7.023 6.159 -6.222 68 1HG1 VAL 9 1HG1 VAL 9 -8.895 6.665 -4.680 69 2HG1 VAL 9 2HG1 VAL 9 -8.987 5.019 -5.299 70 3HG1 VAL 9 3HG1 VAL 9 -10.043 6.268 -5.957 71 1HG2 VAL 9 1HG2 VAL 9 -7.940 4.559 -7.715 72 2HG2 VAL 9 2HG2 VAL 9 -7.709 6.000 -8.703 73 3HG2 VAL 9 3HG2 VAL 9 -9.317 5.589 -8.105 74 H GLU 10 H GLU 10 -9.916 8.953 -5.545 75 HA GLU 10 HA GLU 10 -12.052 8.530 -7.452 76 1HB GLU 10 2HB GLU 10 -13.511 9.433 -5.754 77 2HB GLU 10 1HB GLU 10 -12.386 8.311 -4.991 78 1HG GLU 10 2HG GLU 10 -11.205 9.997 -3.926 79 2HG GLU 10 1HG GLU 10 -11.639 11.210 -5.129 80 H GLN 11 H GLN 11 -9.771 11.042 -6.821 81 HA GLN 11 HA GLN 11 -11.438 12.933 -8.379 82 1HB GLN 11 2HB GLN 11 -10.406 14.772 -7.210 83 2HB GLN 11 1HB GLN 11 -11.040 13.636 -6.019 84 1HG GLN 11 2HG GLN 11 -8.794 12.666 -5.729 85 2HG GLN 11 1HG GLN 11 -8.150 13.773 -6.941 86 1HE2 GLN 11 1HE2 GLN 11 -8.311 13.402 -3.656 87 2HE2 GLN 11 2HE2 GLN 11 -8.282 15.033 -3.183 88 H LEU 12 H LEU 12 -9.172 10.884 -9.118 89 HA LEU 12 HA LEU 12 -7.133 12.643 -10.214 90 1HB LEU 12 2HB LEU 12 -6.405 10.447 -11.366 91 2HB LEU 12 1HB LEU 12 -6.173 10.631 -9.645 92 HG LEU 12 HG LEU 12 -8.070 9.197 -9.191 93 1HD1 LEU 12 1HD1 LEU 12 -8.447 9.290 -12.191 94 2HD1 LEU 12 2HD1 LEU 12 -9.606 9.745 -10.942 95 3HD1 LEU 12 3HD1 LEU 12 -9.185 8.049 -11.177 96 1HD2 LEU 12 1HD2 LEU 12 -7.255 7.112 -10.440 97 2HD2 LEU 12 2HD2 LEU 12 -6.044 7.982 -9.499 98 3HD2 LEU 12 3HD2 LEU 12 -6.108 8.177 -11.250 99 H THR 13 H THR 13 -6.518 12.009 -12.645 100 HA THR 13 HA THR 13 -8.829 12.849 -14.227 101 HB THR 13 HB THR 13 -6.808 12.611 -16.039 102 HG1 THR 13 HG1 THR 13 -5.170 12.104 -14.757 103 1HG2 THR 13 1HG2 THR 13 -7.779 14.671 -16.066 104 2HG2 THR 13 2HG2 THR 13 -6.341 15.110 -15.146 105 3HG2 THR 13 3HG2 THR 13 -7.857 14.778 -14.307 106 H ASP 14 H ASP 14 -9.131 11.870 -16.396 107 HA ASP 14 HA ASP 14 -9.614 9.063 -16.183 108 1HB ASP 14 2HB ASP 14 -9.746 10.988 -18.509 109 2HB ASP 14 1HB ASP 14 -10.145 9.277 -18.662 110 H GLU 15 H GLU 15 -7.053 11.042 -17.543 111 HA GLU 15 HA GLU 15 -5.779 8.997 -19.081 112 1HB GLU 15 2HB GLU 15 -4.805 11.623 -17.945 113 2HB GLU 15 1HB GLU 15 -3.758 10.548 -18.871 114 1HG GLU 15 2HG GLU 15 -4.558 11.745 -20.647 115 2HG GLU 15 1HG GLU 15 -5.915 10.625 -20.516 116 H GLN 16 H GLN 16 -5.657 9.969 -15.708 117 HA GLN 16 HA GLN 16 -3.277 8.555 -14.998 118 1HB GLN 16 2HB GLN 16 -5.026 10.298 -13.693 119 2HB GLN 16 1HB GLN 16 -5.224 8.766 -12.842 120 1HG GLN 16 2HG GLN 16 -2.614 8.684 -12.888 121 2HG GLN 16 1HG GLN 16 -2.733 10.416 -13.202 122 1HE2 GLN 16 1HE2 GLN 16 -3.994 11.716 -11.547 123 2HE2 GLN 16 2HE2 GLN 16 -4.021 11.171 -9.940 124 H LYS 17 H LYS 17 -6.745 7.783 -14.891 125 HA LYS 17 HA LYS 17 -6.484 5.212 -13.701 126 1HB LYS 17 2HB LYS 17 -8.651 6.295 -15.524 127 2HB LYS 17 1HB LYS 17 -8.764 4.803 -14.593 128 1HG LYS 17 2HG LYS 17 -8.938 5.913 -12.567 129 2HG LYS 17 1HG LYS 17 -8.050 7.324 -13.144 130 1HD LYS 17 2HD LYS 17 -10.293 8.073 -12.995 131 2HD LYS 17 1HD LYS 17 -10.064 7.727 -14.707 132 1HE LYS 17 2HE LYS 17 -12.116 6.680 -14.217 133 2HE LYS 17 1HE LYS 17 -10.957 5.356 -14.126 134 1HZ LYS 17 1HZ LYS 17 -11.851 6.943 -11.781 135 2HZ LYS 17 2HZ LYS 17 -10.899 5.536 -11.764 136 3HZ LYS 17 3HZ LYS 17 -12.528 5.455 -12.233 137 H ASN 18 H ASN 18 -6.659 6.334 -17.067 138 HA ASN 18 HA ASN 18 -6.538 3.736 -18.247 139 1HB ASN 18 2HB ASN 18 -6.048 6.516 -19.307 140 2HB ASN 18 1HB ASN 18 -5.803 5.085 -20.309 141 1HD2 ASN 18 1HD2 ASN 18 -7.997 7.347 -20.176 142 2HD2 ASN 18 2HD2 ASN 18 -9.443 6.462 -20.263 143 H GLU 19 H GLU 19 -4.120 5.949 -17.032 144 HA GLU 19 HA GLU 19 -1.847 5.098 -18.421 145 1HB GLU 19 2HB GLU 19 -2.005 7.029 -16.779 146 2HB GLU 19 1HB GLU 19 -1.879 5.834 -15.488 147 1HG GLU 19 2HG GLU 19 0.359 6.344 -15.761 148 2HG GLU 19 1HG GLU 19 0.212 5.025 -16.921 149 H PHE 20 H PHE 20 -3.147 3.899 -15.313 150 HA PHE 20 HA PHE 20 -1.274 1.695 -15.232 151 1HB PHE 20 2HB PHE 20 -3.571 2.584 -13.515 152 2HB PHE 20 1HB PHE 20 -2.886 0.972 -13.318 153 HD1 PHE 20 HD1 PHE 20 -2.255 4.590 -13.003 154 HD2 PHE 20 HD2 PHE 20 -0.604 0.658 -12.516 155 HE1 PHE 20 HE1 PHE 20 -0.397 5.533 -11.666 156 HE2 PHE 20 HE2 PHE 20 1.253 1.596 -11.176 157 HZ PHE 20 HZ PHE 20 1.360 4.040 -10.749 158 H LYS 21 H LYS 21 -4.778 2.068 -15.799 159 HA LYS 21 HA LYS 21 -5.490 -0.609 -16.048 160 1HB LYS 21 2HB LYS 21 -7.069 1.330 -16.030 161 2HB LYS 21 1HB LYS 21 -6.625 1.651 -17.704 162 1HG LYS 21 2HG LYS 21 -7.366 -1.155 -17.155 163 2HG LYS 21 1HG LYS 21 -8.679 0.002 -16.935 164 1HD LYS 21 2HD LYS 21 -6.971 0.201 -19.395 165 2HD LYS 21 1HD LYS 21 -8.215 -1.046 -19.318 166 1HE LYS 21 2HE LYS 21 -9.825 0.831 -18.612 167 2HE LYS 21 1HE LYS 21 -8.567 1.950 -19.140 168 1HZ LYS 21 1HZ LYS 21 -8.594 0.815 -21.315 169 2HZ LYS 21 2HZ LYS 21 -10.074 1.559 -20.938 170 3HZ LYS 21 3HZ LYS 21 -9.905 -0.125 -20.790 171 H ALA 22 H ALA 22 -4.067 1.542 -18.491 172 HA ALA 22 HA ALA 22 -4.333 -0.154 -20.732 173 1HB ALA 22 1HB ALA 22 -3.655 2.193 -20.954 174 2HB ALA 22 2HB ALA 22 -2.456 1.132 -21.695 175 3HB ALA 22 3HB ALA 22 -2.145 1.845 -20.110 176 H ALA 23 H ALA 23 -1.621 0.262 -18.460 177 HA ALA 23 HA ALA 23 0.012 -1.805 -19.529 178 1HB ALA 23 1HB ALA 23 0.530 0.140 -17.782 179 2HB ALA 23 2HB ALA 23 1.453 -1.363 -17.782 180 3HB ALA 23 3HB ALA 23 0.145 -1.132 -16.620 181 H PHE 24 H PHE 24 -2.547 -1.690 -17.132 182 HA PHE 24 HA PHE 24 -2.223 -4.230 -15.950 183 1HB PHE 24 2HB PHE 24 -3.872 -2.186 -15.452 184 2HB PHE 24 1HB PHE 24 -4.971 -3.160 -16.421 185 HD1 PHE 24 HD1 PHE 24 -4.476 -5.888 -15.755 186 HD2 PHE 24 HD2 PHE 24 -4.292 -2.453 -13.193 187 HE1 PHE 24 HE1 PHE 24 -4.915 -7.337 -13.790 188 HE2 PHE 24 HE2 PHE 24 -4.729 -3.894 -11.232 189 HZ PHE 24 HZ PHE 24 -5.049 -6.326 -11.532 190 H ASP 25 H ASP 25 -4.144 -3.160 -18.744 191 HA ASP 25 HA ASP 25 -5.339 -5.636 -19.360 192 1HB ASP 25 2HB ASP 25 -5.706 -3.173 -20.305 193 2HB ASP 25 1HB ASP 25 -4.652 -3.776 -21.584 194 H ILE 26 H ILE 26 -2.283 -4.206 -20.515 195 HA ILE 26 HA ILE 26 -1.746 -6.351 -22.346 196 HB ILE 26 HB ILE 26 0.529 -5.363 -22.517 197 1HG1 ILE 26 2HG1 ILE 26 -0.520 -3.356 -20.494 198 2HG1 ILE 26 1HG1 ILE 26 0.666 -4.607 -20.129 199 1HG2 ILE 26 1HG2 ILE 26 -0.202 -3.285 -23.545 200 2HG2 ILE 26 2HG2 ILE 26 -1.690 -3.298 -22.599 201 3HG2 ILE 26 3HG2 ILE 26 -1.424 -4.522 -23.841 202 1HD1 ILE 26 1HD1 ILE 26 1.730 -3.412 -22.381 203 2HD1 ILE 26 2HD1 ILE 26 2.215 -3.068 -20.720 204 3HD1 ILE 26 3HD1 ILE 26 1.018 -2.048 -21.518 205 H PHE 27 H PHE 27 -0.755 -5.645 -19.013 206 HA PHE 27 HA PHE 27 1.107 -7.836 -18.874 207 1HB PHE 27 2HB PHE 27 -0.187 -6.207 -16.672 208 2HB PHE 27 1HB PHE 27 1.091 -7.395 -16.422 209 HD1 PHE 27 HD1 PHE 27 0.993 -4.236 -15.985 210 HD2 PHE 27 HD2 PHE 27 2.664 -6.806 -18.997 211 HE1 PHE 27 HE1 PHE 27 2.683 -2.506 -16.529 212 HE2 PHE 27 HE2 PHE 27 4.354 -5.076 -19.534 213 HZ PHE 27 HZ PHE 27 4.363 -2.925 -18.302 214 H ILE 28 H ILE 28 -2.303 -7.375 -18.007 215 HA ILE 28 HA ILE 28 -2.415 -10.228 -17.245 216 HB ILE 28 HB ILE 28 -3.132 -8.258 -15.632 217 1HG1 ILE 28 2HG1 ILE 28 -4.566 -9.771 -14.458 218 2HG1 ILE 28 1HG1 ILE 28 -4.950 -10.647 -15.939 219 1HG2 ILE 28 1HG2 ILE 28 -5.833 -8.784 -16.813 220 2HG2 ILE 28 2HG2 ILE 28 -4.832 -7.501 -17.491 221 3HG2 ILE 28 3HG2 ILE 28 -5.298 -7.452 -15.792 222 1HD1 ILE 28 1HD1 ILE 28 -3.165 -11.646 -14.316 223 2HD1 ILE 28 2HD1 ILE 28 -2.095 -10.435 -15.024 224 3HD1 ILE 28 3HD1 ILE 28 -2.845 -11.659 -16.051 225 H GLN 29 H GLN 29 -2.316 -9.541 -19.933 226 HA GLN 29 HA GLN 29 -4.673 -9.174 -21.339 227 1HB GLN 29 2HB GLN 29 -2.378 -9.366 -22.339 228 2HB GLN 29 1HB GLN 29 -2.484 -11.113 -22.125 229 1HG GLN 29 2HG GLN 29 -4.125 -11.354 -23.744 230 2HG GLN 29 1HG GLN 29 -4.721 -9.707 -23.538 231 1HE2 GLN 29 1HE2 GLN 29 -3.322 -7.930 -24.447 232 2HE2 GLN 29 2HE2 GLN 29 -2.291 -8.280 -25.749 233 H ASP 30 H ASP 30 -3.274 -12.300 -20.303 234 HA ASP 30 HA ASP 30 -5.837 -13.624 -20.876 235 1HB ASP 30 2HB ASP 30 -3.340 -14.475 -21.419 236 2HB ASP 30 1HB ASP 30 -3.531 -15.172 -19.812 237 H ALA 31 H ALA 31 -5.969 -11.843 -18.758 238 HA ALA 31 HA ALA 31 -5.409 -12.706 -16.201 239 1HB ALA 31 1HB ALA 31 -8.015 -11.364 -16.892 240 2HB ALA 31 2HB ALA 31 -6.480 -10.500 -16.932 241 3HB ALA 31 3HB ALA 31 -7.054 -11.207 -15.422 242 H GLU 32 H GLU 32 -6.463 -13.814 -14.646 243 HA GLU 32 HA GLU 32 -8.779 -15.477 -15.413 244 1HB GLU 32 2HB GLU 32 -7.771 -17.401 -14.214 245 2HB GLU 32 1HB GLU 32 -6.816 -16.916 -15.614 246 1HG GLU 32 2HG GLU 32 -5.370 -15.550 -14.066 247 2HG GLU 32 1HG GLU 32 -6.250 -16.254 -12.710 248 H ASP 33 H ASP 33 -7.925 -13.052 -13.558 249 HA ASP 33 HA ASP 33 -9.807 -13.671 -11.446 250 1HB ASP 33 2HB ASP 33 -6.857 -13.435 -10.924 251 2HB ASP 33 1HB ASP 33 -8.008 -12.850 -9.722 252 H GLY 34 H GLY 34 -7.292 -11.430 -12.633 253 1HA GLY 34 2HA GLY 34 -8.060 -9.215 -13.404 254 2HA GLY 34 1HA GLY 34 -9.089 -9.163 -11.977 255 H CYS 35 H CYS 35 -5.741 -10.316 -12.100 256 HA CYS 35 HA CYS 35 -4.767 -7.899 -10.756 257 1HB CYS 35 2HB CYS 35 -3.946 -10.501 -9.549 258 2HB CYS 35 1HB CYS 35 -4.065 -8.908 -8.807 259 HG CYS 35 HG CYS 35 -6.226 -10.984 -8.742 260 H ILE 36 H ILE 36 -2.626 -7.467 -11.174 261 HA ILE 36 HA ILE 36 -1.367 -9.106 -13.237 262 HB ILE 36 HB ILE 36 0.245 -7.348 -13.489 263 1HG1 ILE 36 2HG1 ILE 36 -0.411 -5.321 -11.702 264 2HG1 ILE 36 1HG1 ILE 36 -0.485 -6.776 -10.708 265 1HG2 ILE 36 1HG2 ILE 36 -2.277 -6.997 -14.139 266 2HG2 ILE 36 2HG2 ILE 36 -1.146 -5.649 -14.254 267 3HG2 ILE 36 3HG2 ILE 36 -2.231 -5.772 -12.870 268 1HD1 ILE 36 1HD1 ILE 36 1.831 -5.397 -11.404 269 2HD1 ILE 36 2HD1 ILE 36 1.828 -6.782 -12.497 270 3HD1 ILE 36 3HD1 ILE 36 1.761 -7.036 -10.751 271 H SER 37 H SER 37 1.157 -9.284 -12.952 272 HA SER 37 HA SER 37 1.551 -10.799 -10.476 273 1HB SER 37 2HB SER 37 2.196 -11.911 -12.544 274 2HB SER 37 1HB SER 37 3.247 -10.566 -12.974 275 HG SER 37 HG SER 37 3.573 -12.579 -11.067 276 H THR 38 H THR 38 2.341 -9.769 -8.771 277 HA THR 38 HA THR 38 3.548 -7.236 -8.732 278 HB THR 38 HB THR 38 4.306 -7.812 -6.450 279 HG1 THR 38 HG1 THR 38 4.686 -9.817 -6.042 280 1HG2 THR 38 1HG2 THR 38 1.531 -8.566 -7.329 281 2HG2 THR 38 2HG2 THR 38 2.067 -7.100 -6.511 282 3HG2 THR 38 3HG2 THR 38 1.991 -8.623 -5.628 283 H LYS 39 H LYS 39 4.904 -10.444 -9.160 284 HA LYS 39 HA LYS 39 7.653 -9.755 -8.825 285 1HB LYS 39 2HB LYS 39 6.614 -11.973 -10.600 286 2HB LYS 39 1HB LYS 39 8.165 -11.890 -9.768 287 1HG LYS 39 2HG LYS 39 5.425 -12.326 -8.566 288 2HG LYS 39 1HG LYS 39 6.837 -13.376 -8.464 289 1HD LYS 39 2HD LYS 39 8.006 -11.524 -7.194 290 2HD LYS 39 1HD LYS 39 6.457 -10.679 -7.140 291 1HE LYS 39 2HE LYS 39 5.471 -12.772 -6.094 292 2HE LYS 39 1HE LYS 39 7.118 -13.382 -5.943 293 1HZ LYS 39 1HZ LYS 39 7.636 -11.277 -4.723 294 2HZ LYS 39 2HZ LYS 39 6.575 -12.330 -3.914 295 3HZ LYS 39 3HZ LYS 39 5.971 -10.948 -4.696 296 H GLU 40 H GLU 40 5.383 -9.563 -11.477 297 HA GLU 40 HA GLU 40 7.436 -8.930 -13.449 298 1HB GLU 40 2HB GLU 40 4.426 -9.116 -13.605 299 2HB GLU 40 1HB GLU 40 5.435 -8.613 -14.960 300 1HG GLU 40 2HG GLU 40 6.750 -10.784 -14.590 301 2HG GLU 40 1HG GLU 40 5.421 -11.284 -13.544 302 H LEU 41 H LEU 41 6.301 -7.144 -10.994 303 HA LEU 41 HA LEU 41 5.280 -4.776 -12.094 304 1HB LEU 41 2HB LEU 41 5.758 -5.590 -9.585 305 2HB LEU 41 1HB LEU 41 7.145 -4.552 -9.797 306 HG LEU 41 HG LEU 41 5.132 -3.496 -8.695 307 1HD1 LEU 41 1HD1 LEU 41 7.021 -2.361 -10.172 308 2HD1 LEU 41 2HD1 LEU 41 5.651 -1.423 -9.578 309 3HD1 LEU 41 3HD1 LEU 41 5.662 -2.013 -11.239 310 1HD2 LEU 41 1HD2 LEU 41 3.520 -4.649 -10.340 311 2HD2 LEU 41 2HD2 LEU 41 3.979 -3.394 -11.489 312 3HD2 LEU 41 3HD2 LEU 41 3.196 -2.955 -9.970 313 H GLY 42 H GLY 42 8.488 -6.095 -12.250 314 1HA GLY 42 2HA GLY 42 10.062 -3.788 -12.520 315 2HA GLY 42 1HA GLY 42 10.421 -5.347 -13.254 316 H LYS 43 H LYS 43 7.893 -5.376 -14.792 317 HA LYS 43 HA LYS 43 8.796 -3.808 -17.071 318 1HB LYS 43 2HB LYS 43 6.330 -5.552 -16.842 319 2HB LYS 43 1HB LYS 43 7.076 -4.960 -18.326 320 1HG LYS 43 2HG LYS 43 8.543 -6.721 -16.346 321 2HG LYS 43 1HG LYS 43 7.629 -7.369 -17.708 322 1HD LYS 43 2HD LYS 43 9.007 -6.002 -19.259 323 2HD LYS 43 1HD LYS 43 9.952 -5.429 -17.885 324 1HE LYS 43 2HE LYS 43 10.119 -8.087 -17.449 325 2HE LYS 43 1HE LYS 43 9.958 -8.092 -19.206 326 1HZ LYS 43 1HZ LYS 43 11.962 -6.544 -17.652 327 2HZ LYS 43 2HZ LYS 43 11.802 -6.535 -19.343 328 3HZ LYS 43 3HZ LYS 43 12.271 -7.955 -18.540 329 H VAL 44 H VAL 44 6.635 -3.385 -14.461 330 HA VAL 44 HA VAL 44 4.904 -1.496 -15.873 331 HB VAL 44 HB VAL 44 4.741 -1.988 -12.922 332 1HG1 VAL 44 1HG1 VAL 44 3.326 -0.422 -14.599 333 2HG1 VAL 44 2HG1 VAL 44 2.619 -1.172 -13.170 334 3HG1 VAL 44 3HG1 VAL 44 2.403 -1.916 -14.754 335 1HG2 VAL 44 1HG2 VAL 44 4.928 -4.243 -13.824 336 2HG2 VAL 44 2HG2 VAL 44 3.769 -3.869 -15.097 337 3HG2 VAL 44 3HG2 VAL 44 3.239 -3.939 -13.416 338 H MET 45 H MET 45 7.240 -1.589 -13.194 339 HA MET 45 HA MET 45 7.103 1.003 -12.268 340 1HB MET 45 2HB MET 45 9.539 0.786 -11.707 341 2HB MET 45 1HB MET 45 8.561 -0.581 -11.174 342 1HG MET 45 2HG MET 45 9.239 -1.836 -13.204 343 2HG MET 45 1HG MET 45 10.253 -0.480 -13.692 344 1HE MET 45 1HE MET 45 12.130 -1.118 -13.945 345 2HE MET 45 2HE MET 45 12.614 -2.719 -13.391 346 3HE MET 45 3HE MET 45 13.373 -1.289 -12.697 347 H ARG 46 H ARG 46 8.770 -0.180 -15.168 348 HA ARG 46 HA ARG 46 10.057 2.294 -15.787 349 1HB ARG 46 2HB ARG 46 10.455 1.346 -18.002 350 2HB ARG 46 1HB ARG 46 10.800 0.149 -16.756 351 1HG ARG 46 2HG ARG 46 8.164 -0.368 -17.218 352 2HG ARG 46 1HG ARG 46 8.674 0.169 -18.819 353 1HD ARG 46 2HD ARG 46 10.067 -1.972 -17.190 354 2HD ARG 46 1HD ARG 46 8.939 -2.290 -18.502 355 HE ARG 46 HE ARG 46 10.836 -0.668 -19.640 356 1HH1 ARG 46 2HH1 ARG 46 10.899 -3.669 -17.854 357 2HH1 ARG 46 1HH1 ARG 46 12.324 -4.253 -18.641 358 1HH2 ARG 46 1HH2 ARG 46 12.707 -1.454 -20.657 359 2HH2 ARG 46 2HH2 ARG 46 13.346 -3.003 -20.223 360 H MET 47 H MET 47 6.871 0.987 -16.474 361 HA MET 47 HA MET 47 6.151 2.994 -18.415 362 1HB MET 47 2HB MET 47 4.383 1.152 -16.783 363 2HB MET 47 1HB MET 47 3.871 2.105 -18.174 364 1HG MET 47 2HG MET 47 6.092 0.050 -18.310 365 2HG MET 47 1HG MET 47 4.410 -0.324 -18.680 366 1HE MET 47 1HE MET 47 5.970 -1.008 -21.275 367 2HE MET 47 2HE MET 47 7.182 -0.449 -20.125 368 3HE MET 47 3HE MET 47 7.119 0.255 -21.738 369 H LEU 48 H LEU 48 5.916 2.616 -14.925 370 HA LEU 48 HA LEU 48 4.073 4.754 -14.452 371 1HB LEU 48 2HB LEU 48 5.947 3.135 -12.788 372 2HB LEU 48 1HB LEU 48 5.333 4.632 -12.128 373 HG LEU 48 HG LEU 48 3.022 3.792 -12.410 374 1HD1 LEU 48 1HD1 LEU 48 2.607 1.510 -13.085 375 2HD1 LEU 48 2HD1 LEU 48 4.336 1.166 -13.155 376 3HD1 LEU 48 3HD1 LEU 48 3.607 2.255 -14.334 377 1HD2 LEU 48 1HD2 LEU 48 3.090 2.363 -10.518 378 2HD2 LEU 48 2HD2 LEU 48 4.536 3.361 -10.358 379 3HD2 LEU 48 3HD2 LEU 48 4.665 1.711 -10.966 380 H GLY 49 H GLY 49 7.544 4.512 -14.843 381 1HA GLY 49 2HA GLY 49 8.652 6.551 -15.716 382 2HA GLY 49 1HA GLY 49 7.778 7.447 -14.480 383 H GLN 50 H GLN 50 9.078 4.317 -13.660 384 HA GLN 50 HA GLN 50 11.394 5.566 -12.318 385 1HB GLN 50 2HB GLN 50 9.542 3.527 -11.052 386 2HB GLN 50 1HB GLN 50 10.966 4.255 -10.307 387 1HG GLN 50 2HG GLN 50 9.712 5.988 -9.608 388 2HG GLN 50 1HG GLN 50 9.329 6.371 -11.285 389 1HE2 GLN 50 1HE2 GLN 50 7.090 6.730 -11.240 390 2HE2 GLN 50 2HE2 GLN 50 5.961 5.625 -10.623 391 H ASN 51 H ASN 51 13.038 3.956 -11.639 392 HA ASN 51 HA ASN 51 12.937 1.407 -13.094 393 1HB ASN 51 2HB ASN 51 14.101 3.392 -14.405 394 2HB ASN 51 1HB ASN 51 15.453 3.007 -13.340 395 1HD2 ASN 51 1HD2 ASN 51 13.176 1.453 -15.660 396 2HD2 ASN 51 2HD2 ASN 51 14.256 0.229 -16.125 397 HA PRO 52 HA PRO 52 15.085 1.264 -8.916 398 1HB PRO 52 2HB PRO 52 13.141 -0.063 -7.525 399 2HB PRO 52 1HB PRO 52 13.234 1.702 -7.639 400 1HG PRO 52 2HG PRO 52 11.388 -0.181 -8.990 401 2HG PRO 52 1HG PRO 52 11.130 1.504 -8.514 402 1HD PRO 52 2HD PRO 52 11.709 0.596 -11.122 403 2HD PRO 52 1HD PRO 52 11.796 2.278 -10.556 404 H THR 53 H THR 53 14.743 -1.053 -7.412 405 HA THR 53 HA THR 53 15.610 -3.159 -9.299 406 HB THR 53 HB THR 53 16.980 -4.024 -7.609 407 HG1 THR 53 HG1 THR 53 16.404 -4.064 -5.581 408 1HG2 THR 53 1HG2 THR 53 18.217 -2.182 -6.646 409 2HG2 THR 53 2HG2 THR 53 16.842 -1.098 -6.859 410 3HG2 THR 53 3HG2 THR 53 17.698 -1.725 -8.268 411 HA PRO 54 HA PRO 54 12.180 -5.722 -8.219 412 1HB PRO 54 2HB PRO 54 13.269 -8.173 -7.648 413 2HB PRO 54 1HB PRO 54 13.122 -7.508 -9.283 414 1HG PRO 54 2HG PRO 54 15.524 -7.722 -7.541 415 2HG PRO 54 1HG PRO 54 15.398 -7.795 -9.306 416 1HD PRO 54 2HD PRO 54 16.257 -5.575 -7.855 417 2HD PRO 54 1HD PRO 54 15.660 -5.522 -9.529 418 H GLU 55 H GLU 55 14.771 -5.640 -5.857 419 HA GLU 55 HA GLU 55 13.159 -6.678 -3.676 420 1HB GLU 55 2HB GLU 55 15.850 -5.278 -3.653 421 2HB GLU 55 1HB GLU 55 15.093 -6.062 -2.266 422 1HG GLU 55 2HG GLU 55 15.381 -8.206 -3.149 423 2HG GLU 55 1HG GLU 55 15.494 -7.618 -4.807 424 H GLU 56 H GLU 56 14.181 -3.562 -4.973 425 HA GLU 56 HA GLU 56 13.236 -1.952 -2.808 426 1HB GLU 56 2HB GLU 56 14.908 -1.351 -4.716 427 2HB GLU 56 1HB GLU 56 13.457 -0.965 -5.640 428 1HG GLU 56 2HG GLU 56 12.803 0.733 -4.124 429 2HG GLU 56 1HG GLU 56 13.892 0.145 -2.866 430 H LEU 57 H LEU 57 11.854 -2.902 -5.964 431 HA LEU 57 HA LEU 57 9.439 -1.411 -5.611 432 1HB LEU 57 2HB LEU 57 8.639 -2.539 -7.561 433 2HB LEU 57 1HB LEU 57 10.300 -2.071 -7.821 434 HG LEU 57 HG LEU 57 10.794 -4.554 -7.064 435 1HD1 LEU 57 1HD1 LEU 57 8.817 -5.584 -6.543 436 2HD1 LEU 57 2HD1 LEU 57 8.716 -5.806 -8.290 437 3HD1 LEU 57 3HD1 LEU 57 7.863 -4.468 -7.520 438 1HD2 LEU 57 1HD2 LEU 57 9.608 -3.826 -9.764 439 2HD2 LEU 57 2HD2 LEU 57 10.640 -5.220 -9.444 440 3HD2 LEU 57 3HD2 LEU 57 11.288 -3.587 -9.282 441 H GLN 58 H GLN 58 10.501 -4.602 -4.634 442 HA GLN 58 HA GLN 58 8.002 -5.848 -4.264 443 1HB GLN 58 2HB GLN 58 10.241 -6.992 -4.145 444 2HB GLN 58 1HB GLN 58 10.454 -6.278 -2.546 445 1HG GLN 58 2HG GLN 58 9.555 -8.477 -2.196 446 2HG GLN 58 1HG GLN 58 8.240 -7.343 -1.894 447 1HE2 GLN 58 1HE2 GLN 58 6.377 -7.483 -3.249 448 2HE2 GLN 58 2HE2 GLN 58 6.241 -8.584 -4.533 449 H GLU 59 H GLU 59 9.930 -3.803 -2.056 450 HA GLU 59 HA GLU 59 8.228 -4.072 0.191 451 1HB GLU 59 2HB GLU 59 9.362 -2.190 1.140 452 2HB GLU 59 1HB GLU 59 10.562 -3.109 0.237 453 1HG GLU 59 2HG GLU 59 11.072 -1.192 -0.835 454 2HG GLU 59 1HG GLU 59 9.509 -1.316 -1.637 455 H MET 60 H MET 60 8.055 -2.050 -2.672 456 HA MET 60 HA MET 60 6.069 -0.230 -1.712 457 1HB MET 60 2HB MET 60 6.608 -1.056 -4.577 458 2HB MET 60 1HB MET 60 5.753 0.391 -4.043 459 1HG MET 60 2HG MET 60 7.911 0.988 -2.773 460 2HG MET 60 1HG MET 60 8.685 -0.262 -3.746 461 1HE MET 60 1HE MET 60 6.212 3.184 -5.245 462 2HE MET 60 2HE MET 60 7.442 3.717 -4.102 463 3HE MET 60 3HE MET 60 6.302 2.457 -3.636 464 H ILE 61 H ILE 61 6.025 -3.281 -3.470 465 HA ILE 61 HA ILE 61 3.226 -3.426 -3.930 466 HB ILE 61 HB ILE 61 5.276 -5.646 -3.664 467 1HG1 ILE 61 2HG1 ILE 61 4.035 -4.733 -6.239 468 2HG1 ILE 61 1HG1 ILE 61 5.336 -3.768 -5.541 469 1HG2 ILE 61 1HG2 ILE 61 3.647 -7.095 -4.695 470 2HG2 ILE 61 2HG2 ILE 61 2.527 -5.756 -4.938 471 3HG2 ILE 61 3HG2 ILE 61 2.866 -6.339 -3.309 472 1HD1 ILE 61 1HD1 ILE 61 6.904 -5.473 -5.759 473 2HD1 ILE 61 2HD1 ILE 61 5.910 -5.741 -7.191 474 3HD1 ILE 61 3HD1 ILE 61 5.679 -6.741 -5.756 475 H ASP 62 H ASP 62 5.309 -4.808 -1.380 476 HA ASP 62 HA ASP 62 3.313 -6.113 0.095 477 1HB ASP 62 2HB ASP 62 5.912 -6.114 0.380 478 2HB ASP 62 1HB ASP 62 5.613 -4.761 1.472 479 H GLU 63 H GLU 63 4.297 -2.725 0.058 480 HA GLU 63 HA GLU 63 2.792 -1.967 2.384 481 1HB GLU 63 2HB GLU 63 4.136 -0.431 0.171 482 2HB GLU 63 1HB GLU 63 3.132 0.384 1.370 483 1HG GLU 63 2HG GLU 63 5.184 -1.537 2.375 484 2HG GLU 63 1HG GLU 63 5.756 0.010 1.752 485 H VAL 64 H VAL 64 2.290 -1.484 -1.129 486 HA VAL 64 HA VAL 64 -0.285 -0.299 -0.827 487 HB VAL 64 HB VAL 64 1.092 0.066 -2.838 488 1HG1 VAL 64 1HG1 VAL 64 1.890 -2.371 -2.906 489 2HG1 VAL 64 2HG1 VAL 64 1.490 -1.632 -4.455 490 3HG1 VAL 64 3HG1 VAL 64 0.353 -2.740 -3.688 491 1HG2 VAL 64 1HG2 VAL 64 -1.282 -1.339 -3.943 492 2HG2 VAL 64 2HG2 VAL 64 -0.750 0.327 -4.174 493 3HG2 VAL 64 3HG2 VAL 64 -1.603 -0.131 -2.699 494 H ASP 65 H ASP 65 0.795 -3.630 -1.405 495 HA ASP 65 HA ASP 65 -1.885 -4.646 -1.758 496 1HB ASP 65 2HB ASP 65 0.687 -5.625 -2.280 497 2HB ASP 65 1HB ASP 65 0.079 -6.647 -0.982 498 H GLU 66 H GLU 66 -3.172 -4.355 -0.032 499 HA GLU 66 HA GLU 66 -2.396 -4.390 2.678 500 1HB GLU 66 2HB GLU 66 -5.130 -5.154 1.628 501 2HB GLU 66 1HB GLU 66 -4.739 -4.498 3.216 502 1HG GLU 66 2HG GLU 66 -3.837 -2.443 1.997 503 2HG GLU 66 1HG GLU 66 -4.602 -3.090 0.546 504 H ASP 67 H ASP 67 -3.624 -6.926 0.548 505 HA ASP 67 HA ASP 67 -3.546 -8.931 2.653 506 1HB ASP 67 2HB ASP 67 -4.239 -10.491 0.806 507 2HB ASP 67 1HB ASP 67 -5.346 -9.147 1.082 508 H GLY 68 H GLY 68 -1.654 -8.070 -0.229 509 1HA GLY 68 2HA GLY 68 0.534 -8.580 -0.774 510 2HA GLY 68 1HA GLY 68 0.701 -9.332 0.810 511 H SER 69 H SER 69 -1.457 -10.004 -1.933 512 HA SER 69 HA SER 69 -0.970 -12.857 -1.684 513 1HB SER 69 2HB SER 69 -2.669 -13.032 -3.498 514 2HB SER 69 1HB SER 69 -3.238 -12.128 -2.098 515 HG SER 69 HG SER 69 -3.739 -10.915 -3.876 516 H GLY 70 H GLY 70 0.839 -10.526 -3.158 517 1HA GLY 70 2HA GLY 70 2.579 -10.735 -4.675 518 2HA GLY 70 1HA GLY 70 2.103 -12.409 -4.941 519 H THR 71 H THR 71 -0.387 -10.034 -5.189 520 HA THR 71 HA THR 71 -0.116 -9.796 -8.100 521 HB THR 71 HB THR 71 -2.366 -10.520 -8.541 522 HG1 THR 71 HG1 THR 71 -3.790 -10.456 -7.021 523 1HG2 THR 71 1HG2 THR 71 -0.715 -12.328 -8.398 524 2HG2 THR 71 2HG2 THR 71 -2.281 -12.886 -7.807 525 3HG2 THR 71 3HG2 THR 71 -1.004 -12.473 -6.663 526 H VAL 72 H VAL 72 -0.701 -7.825 -8.818 527 HA VAL 72 HA VAL 72 -1.766 -5.942 -6.823 528 HB VAL 72 HB VAL 72 -0.692 -5.197 -9.536 529 1HG1 VAL 72 1HG1 VAL 72 -0.355 -3.049 -8.512 530 2HG1 VAL 72 2HG1 VAL 72 -0.676 -3.700 -6.905 531 3HG1 VAL 72 3HG1 VAL 72 -1.986 -3.565 -8.079 532 1HG2 VAL 72 1HG2 VAL 72 1.496 -4.826 -8.393 533 2HG2 VAL 72 2HG2 VAL 72 1.052 -6.532 -8.446 534 3HG2 VAL 72 3HG2 VAL 72 0.850 -5.612 -6.953 535 H ASP 73 H ASP 73 -3.826 -5.462 -6.849 536 HA ASP 73 HA ASP 73 -5.496 -6.011 -9.183 537 1HB ASP 73 2HB ASP 73 -6.065 -5.061 -6.369 538 2HB ASP 73 1HB ASP 73 -7.309 -5.066 -7.619 539 H PHE 74 H PHE 74 -7.085 -4.211 -9.840 540 HA PHE 74 HA PHE 74 -5.631 -1.993 -10.768 541 1HB PHE 74 2HB PHE 74 -7.879 -2.875 -11.646 542 2HB PHE 74 1HB PHE 74 -8.616 -1.893 -10.379 543 HD1 PHE 74 HD1 PHE 74 -5.627 -1.343 -12.568 544 HD2 PHE 74 HD2 PHE 74 -9.519 0.026 -11.373 545 HE1 PHE 74 HE1 PHE 74 -5.363 0.672 -13.992 546 HE2 PHE 74 HE2 PHE 74 -9.249 2.038 -12.793 547 HZ PHE 74 HZ PHE 74 -7.174 2.361 -14.104 548 H ASP 75 H ASP 75 -7.538 -2.421 -7.828 549 HA ASP 75 HA ASP 75 -7.563 0.323 -7.039 550 1HB ASP 75 2HB ASP 75 -7.882 -2.250 -5.483 551 2HB ASP 75 1HB ASP 75 -7.984 -0.659 -4.726 552 H GLU 76 H GLU 76 -5.399 -2.412 -6.390 553 HA GLU 76 HA GLU 76 -3.635 -0.896 -4.676 554 1HB GLU 76 2HB GLU 76 -3.117 -3.550 -6.048 555 2HB GLU 76 1HB GLU 76 -2.245 -2.885 -4.667 556 1HG GLU 76 2HG GLU 76 -4.191 -3.058 -3.253 557 2HG GLU 76 1HG GLU 76 -5.221 -3.464 -4.621 558 H PHE 77 H PHE 77 -4.022 -1.344 -8.073 559 HA PHE 77 HA PHE 77 -1.328 -0.827 -8.900 560 1HB PHE 77 2HB PHE 77 -3.498 -1.832 -10.162 561 2HB PHE 77 1HB PHE 77 -3.604 -0.163 -10.695 562 HD1 PHE 77 HD1 PHE 77 -3.274 -1.023 -12.986 563 HD2 PHE 77 HD2 PHE 77 -0.226 -1.434 -9.974 564 HE1 PHE 77 HE1 PHE 77 -1.592 -1.478 -14.738 565 HE2 PHE 77 HE2 PHE 77 1.448 -1.882 -11.740 566 HZ PHE 77 HZ PHE 77 0.764 -1.909 -14.123 567 H LEU 78 H LEU 78 -4.318 1.126 -8.913 568 HA LEU 78 HA LEU 78 -3.020 3.548 -9.697 569 1HB LEU 78 2HB LEU 78 -5.731 2.812 -8.697 570 2HB LEU 78 1HB LEU 78 -5.256 4.499 -8.646 571 HG LEU 78 HG LEU 78 -5.107 4.630 -11.013 572 1HD1 LEU 78 1HD1 LEU 78 -5.434 1.622 -11.139 573 2HD1 LEU 78 2HD1 LEU 78 -3.887 2.454 -11.287 574 3HD1 LEU 78 3HD1 LEU 78 -5.145 2.714 -12.493 575 1HD2 LEU 78 1HD2 LEU 78 -7.431 2.845 -10.234 576 2HD2 LEU 78 2HD2 LEU 78 -7.322 3.719 -11.762 577 3HD2 LEU 78 3HD2 LEU 78 -7.412 4.609 -10.242 578 H VAL 79 H VAL 79 -3.666 2.025 -6.606 579 HA VAL 79 HA VAL 79 -3.369 4.281 -4.926 580 HB VAL 79 HB VAL 79 -3.234 1.324 -4.580 581 1HG1 VAL 79 1HG1 VAL 79 -2.469 1.571 -2.235 582 2HG1 VAL 79 2HG1 VAL 79 -2.128 3.275 -2.538 583 3HG1 VAL 79 3HG1 VAL 79 -1.214 2.026 -3.389 584 1HG2 VAL 79 1HG2 VAL 79 -5.261 2.914 -4.325 585 2HG2 VAL 79 2HG2 VAL 79 -4.512 3.404 -2.806 586 3HG2 VAL 79 3HG2 VAL 79 -4.990 1.724 -3.052 587 H MET 80 H MET 80 -1.019 1.893 -6.119 588 HA MET 80 HA MET 80 1.287 2.658 -4.831 589 1HB MET 80 2HB MET 80 0.685 1.021 -7.000 590 2HB MET 80 1HB MET 80 1.810 2.208 -7.659 591 1HG MET 80 2HG MET 80 3.122 1.714 -5.402 592 2HG MET 80 1HG MET 80 2.235 0.191 -5.490 593 1HE MET 80 1HE MET 80 2.254 -1.371 -6.840 594 2HE MET 80 2HE MET 80 3.714 -1.956 -7.634 595 3HE MET 80 3HE MET 80 2.474 -1.138 -8.580 596 H MET 81 H MET 81 -0.403 4.421 -7.371 597 HA MET 81 HA MET 81 1.712 6.122 -8.193 598 1HB MET 81 2HB MET 81 -0.424 5.928 -9.435 599 2HB MET 81 1HB MET 81 -1.257 6.733 -8.106 600 1HG MET 81 2HG MET 81 -0.641 8.757 -8.875 601 2HG MET 81 1HG MET 81 1.055 8.279 -8.895 602 1HE MET 81 1HE MET 81 1.571 6.558 -12.225 603 2HE MET 81 2HE MET 81 1.697 6.312 -10.485 604 3HE MET 81 3HE MET 81 2.400 7.753 -11.218 605 H VAL 82 H VAL 82 -0.942 6.712 -5.867 606 HA VAL 82 HA VAL 82 0.157 9.167 -4.896 607 HB VAL 82 HB VAL 82 -1.473 8.882 -3.012 608 1HG1 VAL 82 1HG1 VAL 82 -2.623 8.397 -5.774 609 2HG1 VAL 82 2HG1 VAL 82 -2.063 9.962 -5.183 610 3HG1 VAL 82 3HG1 VAL 82 -3.442 9.171 -4.417 611 1HG2 VAL 82 1HG2 VAL 82 -3.008 7.014 -3.025 612 2HG2 VAL 82 2HG2 VAL 82 -1.372 6.357 -3.029 613 3HG2 VAL 82 3HG2 VAL 82 -2.314 6.389 -4.520 614 H ARG 83 H ARG 83 0.627 5.807 -4.078 615 HA ARG 83 HA ARG 83 1.678 6.039 -1.482 616 1HB ARG 83 2HB ARG 83 2.162 4.048 -3.694 617 2HB ARG 83 1HB ARG 83 2.960 3.912 -2.128 618 1HG ARG 83 2HG ARG 83 0.014 4.361 -2.096 619 2HG ARG 83 1HG ARG 83 0.571 2.773 -2.626 620 1HD ARG 83 2HD ARG 83 1.844 2.486 -0.571 621 2HD ARG 83 1HD ARG 83 1.443 4.119 -0.053 622 HE ARG 83 HE ARG 83 -0.996 2.905 -0.411 623 1HH1 ARG 83 2HH1 ARG 83 1.889 2.202 1.431 624 2HH1 ARG 83 1HH1 ARG 83 1.036 1.362 2.681 625 1HH2 ARG 83 1HH2 ARG 83 -2.091 1.801 1.240 626 2HH2 ARG 83 2HH2 ARG 83 -1.211 1.135 2.573 627 H CYS 84 H CYS 84 3.047 6.907 -4.566 628 HA CYS 84 HA CYS 84 5.804 6.839 -3.806 629 1HB CYS 84 2HB CYS 84 4.342 8.337 -5.992 630 2HB CYS 84 1HB CYS 84 6.092 8.392 -5.779 631 HG CYS 84 HG CYS 84 4.488 5.969 -6.812 632 H MET 85 H MET 85 3.238 9.271 -3.693 633 HA MET 85 HA MET 85 5.022 11.342 -2.683 634 1HB MET 85 2HB MET 85 2.066 11.216 -3.270 635 2HB MET 85 1HB MET 85 2.775 12.580 -2.406 636 1HG MET 85 2HG MET 85 2.948 13.345 -4.589 637 2HG MET 85 1HG MET 85 4.504 12.533 -4.417 638 1HE MET 85 1HE MET 85 1.002 11.602 -7.077 639 2HE MET 85 2HE MET 85 2.018 13.041 -7.081 640 3HE MET 85 3HE MET 85 1.050 12.660 -5.659 641 H LYS 86 H LYS 86 1.979 9.910 -1.439 642 HA LYS 86 HA LYS 86 2.794 10.534 1.294 643 1HB LYS 86 2HB LYS 86 0.349 10.607 0.143 644 2HB LYS 86 1HB LYS 86 0.317 8.973 0.804 645 1HG LYS 86 2HG LYS 86 1.440 10.900 2.692 646 2HG LYS 86 1HG LYS 86 -0.209 11.314 2.218 647 1HD LYS 86 2HD LYS 86 -0.813 8.878 2.687 648 2HD LYS 86 1HD LYS 86 0.773 8.729 3.445 649 1HE LYS 86 2HE LYS 86 0.172 10.683 4.915 650 2HE LYS 86 1HE LYS 86 -1.459 10.615 4.248 651 1HZ LYS 86 1HZ LYS 86 -0.078 8.401 5.669 652 2HZ LYS 86 2HZ LYS 86 -1.652 8.340 5.030 653 3HZ LYS 86 3HZ LYS 86 -1.296 9.385 6.321 654 H ASP 87 H ASP 87 2.939 8.946 2.941 655 HA ASP 87 HA ASP 87 3.555 6.927 3.862 656 1HB ASP 87 2HB ASP 87 1.517 6.164 2.338 657 2HB ASP 87 1HB ASP 87 2.797 5.410 1.389 658 H ASP 88 H ASP 88 5.516 8.415 2.851 659 HA ASP 88 HA ASP 88 7.476 6.441 2.009 660 1HB ASP 88 2HB ASP 88 6.306 7.502 -0.087 661 2HB ASP 88 1HB ASP 88 7.313 8.899 0.293 662 H SER 89 HN SER 89 7.030 9.992 2.138 663 HA SER 89 HA SER 89 9.043 10.198 4.242 664 1HB SER 89 2HB SER 89 10.282 10.280 2.027 665 2HB SER 89 1HB SER 89 9.411 11.772 1.685 666 HG SER 89 HG SER 89 11.372 11.219 3.610 Start of MODEL 29 1 1H MET 1 1H MET 1 -12.474 8.986 8.976 2 2H MET 1 2H MET 1 -12.827 8.020 7.624 3 3H MET 1 3H MET 1 -11.478 9.052 7.605 4 HA MET 1 HA MET 1 -10.432 7.768 9.364 5 1HB MET 1 2HB MET 1 -12.726 7.011 10.257 6 2HB MET 1 1HB MET 1 -12.684 5.782 8.994 7 1HG MET 1 2HG MET 1 -11.744 4.685 10.861 8 2HG MET 1 1HG MET 1 -10.335 5.195 9.930 9 1HE MET 1 1HE MET 1 -9.682 4.290 12.109 10 2HE MET 1 2HE MET 1 -9.928 5.022 13.693 11 3HE MET 1 3HE MET 1 -8.554 5.514 12.706 12 H ASN 2 H ASN 2 -8.944 7.685 7.705 13 HA ASN 2 HA ASN 2 -7.695 6.785 6.010 14 1HB ASN 2 2HB ASN 2 -9.121 4.437 7.154 15 2HB ASN 2 1HB ASN 2 -8.348 4.217 5.585 16 1HD2 ASN 2 1HD2 ASN 2 -7.399 6.100 8.522 17 2HD2 ASN 2 2HD2 ASN 2 -5.856 5.401 8.640 18 H ASP 3 H ASP 3 -9.970 8.242 5.275 19 HA ASP 3 HA ASP 3 -10.960 6.805 2.883 20 1HB ASP 3 2HB ASP 3 -12.115 9.036 4.542 21 2HB ASP 3 1HB ASP 3 -12.650 8.776 2.882 22 H ILE 4 H ILE 4 -8.323 8.130 3.143 23 HA ILE 4 HA ILE 4 -8.561 10.486 1.421 24 HB ILE 4 HB ILE 4 -6.139 10.734 1.748 25 1HG1 ILE 4 2HG1 ILE 4 -5.353 9.033 3.716 26 2HG1 ILE 4 1HG1 ILE 4 -6.448 7.977 2.828 27 1HG2 ILE 4 1HG2 ILE 4 -7.455 10.128 4.404 28 2HG2 ILE 4 2HG2 ILE 4 -7.853 11.552 3.442 29 3HG2 ILE 4 3HG2 ILE 4 -6.216 11.336 4.063 30 1HD1 ILE 4 1HD1 ILE 4 -4.413 9.606 1.331 31 2HD1 ILE 4 2HD1 ILE 4 -5.178 8.086 0.867 32 3HD1 ILE 4 3HD1 ILE 4 -3.929 8.100 2.111 33 H TYR 5 H TYR 5 -7.556 7.136 1.291 34 HA TYR 5 HA TYR 5 -6.161 7.222 -1.185 35 1HB TYR 5 2HB TYR 5 -7.664 4.872 0.005 36 2HB TYR 5 1HB TYR 5 -6.389 4.802 -1.213 37 HD1 TYR 5 HD1 TYR 5 -7.142 4.990 2.319 38 HD2 TYR 5 HD2 TYR 5 -4.054 5.628 -0.598 39 HE1 TYR 5 HE1 TYR 5 -5.438 4.966 4.118 40 HE2 TYR 5 HE2 TYR 5 -2.350 5.604 1.201 41 HH TYR 5 HH TYR 5 -2.700 6.176 4.071 42 H LYS 6 H LYS 6 -9.550 6.754 -0.305 43 HA LYS 6 HA LYS 6 -10.394 6.243 -3.033 44 1HB LYS 6 2HB LYS 6 -11.734 6.426 -0.375 45 2HB LYS 6 1HB LYS 6 -12.716 6.726 -1.810 46 1HG LYS 6 2HG LYS 6 -12.295 4.576 -2.696 47 2HG LYS 6 1HG LYS 6 -10.908 4.317 -1.637 48 1HD LYS 6 2HD LYS 6 -13.470 4.829 -0.243 49 2HD LYS 6 1HD LYS 6 -13.397 3.314 -1.145 50 1HE LYS 6 2HE LYS 6 -10.960 3.281 0.074 51 2HE LYS 6 1HE LYS 6 -11.913 4.140 1.283 52 1HZ LYS 6 1HZ LYS 6 -11.991 1.754 1.633 53 2HZ LYS 6 2HZ LYS 6 -12.607 1.519 0.068 54 3HZ LYS 6 3HZ LYS 6 -13.529 2.345 1.233 55 H ALA 7 H ALA 7 -10.068 8.997 -0.898 56 HA ALA 7 HA ALA 7 -11.768 10.786 -2.353 57 1HB ALA 7 1HB ALA 7 -9.556 11.239 -0.346 58 2HB ALA 7 2HB ALA 7 -11.295 11.352 -0.082 59 3HB ALA 7 3HB ALA 7 -10.474 12.557 -1.074 60 H ALA 8 H ALA 8 -8.459 9.718 -2.702 61 HA ALA 8 HA ALA 8 -7.705 11.896 -4.474 62 1HB ALA 8 1HB ALA 8 -6.031 10.843 -2.986 63 2HB ALA 8 2HB ALA 8 -5.578 10.716 -4.686 64 3HB ALA 8 3HB ALA 8 -6.250 9.319 -3.845 65 H VAL 9 H VAL 9 -8.445 8.423 -4.747 66 HA VAL 9 HA VAL 9 -7.973 8.219 -7.537 67 HB VAL 9 HB VAL 9 -8.155 6.282 -5.937 68 1HG1 VAL 9 1HG1 VAL 9 -10.219 7.046 -4.793 69 2HG1 VAL 9 2HG1 VAL 9 -10.387 5.412 -5.431 70 3HG1 VAL 9 3HG1 VAL 9 -11.129 6.769 -6.276 71 1HG2 VAL 9 1HG2 VAL 9 -8.285 5.143 -7.873 72 2HG2 VAL 9 2HG2 VAL 9 -9.045 6.526 -8.658 73 3HG2 VAL 9 3HG2 VAL 9 -10.039 5.319 -7.845 74 H GLU 10 H GLU 10 -10.684 9.445 -5.706 75 HA GLU 10 HA GLU 10 -12.540 9.321 -7.928 76 1HB GLU 10 2HB GLU 10 -14.107 10.409 -6.456 77 2HB GLU 10 1HB GLU 10 -13.269 9.157 -5.543 78 1HG GLU 10 2HG GLU 10 -11.955 10.713 -4.369 79 2HG GLU 10 1HG GLU 10 -12.245 11.992 -5.546 80 H GLN 11 H GLN 11 -10.083 11.514 -6.874 81 HA GLN 11 HA GLN 11 -11.281 13.695 -8.470 82 1HB GLN 11 2HB GLN 11 -9.849 15.230 -7.252 83 2HB GLN 11 1HB GLN 11 -10.760 14.242 -6.112 84 1HG GLN 11 2HG GLN 11 -8.839 12.807 -5.733 85 2HG GLN 11 1HG GLN 11 -7.924 13.628 -6.996 86 1HE2 GLN 11 1HE2 GLN 11 -8.859 13.764 -3.644 87 2HE2 GLN 11 2HE2 GLN 11 -8.091 15.233 -3.283 88 H LEU 12 H LEU 12 -8.974 11.282 -8.802 89 HA LEU 12 HA LEU 12 -6.882 12.743 -10.100 90 1HB LEU 12 2HB LEU 12 -6.316 10.446 -11.077 91 2HB LEU 12 1HB LEU 12 -6.189 10.659 -9.347 92 HG LEU 12 HG LEU 12 -8.289 9.466 -9.020 93 1HD1 LEU 12 1HD1 LEU 12 -9.242 8.298 -11.117 94 2HD1 LEU 12 2HD1 LEU 12 -8.350 9.510 -12.037 95 3HD1 LEU 12 3HD1 LEU 12 -9.609 10.010 -10.907 96 1HD2 LEU 12 1HD2 LEU 12 -7.541 7.266 -9.687 97 2HD2 LEU 12 2HD2 LEU 12 -6.116 8.221 -9.275 98 3HD2 LEU 12 3HD2 LEU 12 -6.535 7.945 -10.966 99 H THR 13 H THR 13 -6.289 11.973 -12.460 100 HA THR 13 HA THR 13 -8.568 12.772 -14.139 101 HB THR 13 HB THR 13 -6.440 12.619 -15.849 102 HG1 THR 13 HG1 THR 13 -4.891 12.204 -14.375 103 1HG2 THR 13 1HG2 THR 13 -7.691 14.763 -14.208 104 2HG2 THR 13 2HG2 THR 13 -7.589 14.596 -15.961 105 3HG2 THR 13 3HG2 THR 13 -6.191 15.159 -15.046 106 H ASP 14 H ASP 14 -8.591 11.747 -16.382 107 HA ASP 14 HA ASP 14 -8.960 8.911 -16.094 108 1HB ASP 14 2HB ASP 14 -10.023 10.759 -17.790 109 2HB ASP 14 1HB ASP 14 -8.799 10.030 -18.831 110 H GLU 15 H GLU 15 -6.496 11.042 -17.367 111 HA GLU 15 HA GLU 15 -4.966 9.135 -18.797 112 1HB GLU 15 2HB GLU 15 -3.183 10.781 -18.732 113 2HB GLU 15 1HB GLU 15 -4.718 11.592 -19.030 114 1HG GLU 15 2HG GLU 15 -4.019 12.971 -17.353 115 2HG GLU 15 1HG GLU 15 -4.656 11.696 -16.320 116 H GLN 16 H GLN 16 -5.122 10.012 -15.399 117 HA GLN 16 HA GLN 16 -2.720 8.708 -14.573 118 1HB GLN 16 2HB GLN 16 -4.262 10.450 -13.315 119 2HB GLN 16 1HB GLN 16 -5.071 8.995 -12.737 120 1HG GLN 16 2HG GLN 16 -2.229 8.607 -12.547 121 2HG GLN 16 1HG GLN 16 -2.649 10.139 -11.779 122 1HE2 GLN 16 1HE2 GLN 16 -4.021 6.790 -11.926 123 2HE2 GLN 16 2HE2 GLN 16 -4.387 6.722 -10.271 124 H LYS 17 H LYS 17 -6.141 7.769 -14.702 125 HA LYS 17 HA LYS 17 -5.824 5.181 -13.565 126 1HB LYS 17 2HB LYS 17 -7.930 6.205 -15.492 127 2HB LYS 17 1HB LYS 17 -8.026 4.692 -14.591 128 1HG LYS 17 2HG LYS 17 -8.352 5.764 -12.555 129 2HG LYS 17 1HG LYS 17 -7.531 7.234 -13.080 130 1HD LYS 17 2HD LYS 17 -9.809 7.853 -13.051 131 2HD LYS 17 1HD LYS 17 -9.499 7.494 -14.748 132 1HE LYS 17 2HE LYS 17 -11.442 6.269 -14.415 133 2HE LYS 17 1HE LYS 17 -10.230 5.049 -14.027 134 1HZ LYS 17 1HZ LYS 17 -11.670 6.776 -12.085 135 2HZ LYS 17 2HZ LYS 17 -10.443 5.672 -11.680 136 3HZ LYS 17 3HZ LYS 17 -11.913 5.115 -12.324 137 H ASN 18 H ASN 18 -5.851 6.394 -16.903 138 HA ASN 18 HA ASN 18 -5.582 3.877 -18.192 139 1HB ASN 18 2HB ASN 18 -5.012 6.711 -19.036 140 2HB ASN 18 1HB ASN 18 -4.618 5.352 -20.087 141 1HD2 ASN 18 1HD2 ASN 18 -6.833 7.544 -20.175 142 2HD2 ASN 18 2HD2 ASN 18 -8.253 6.650 -20.437 143 H GLU 19 H GLU 19 -3.256 6.069 -16.733 144 HA GLU 19 HA GLU 19 -0.875 5.256 -17.922 145 1HB GLU 19 2HB GLU 19 -1.206 7.091 -16.180 146 2HB GLU 19 1HB GLU 19 -1.154 5.814 -14.964 147 1HG GLU 19 2HG GLU 19 1.088 6.385 -15.040 148 2HG GLU 19 1HG GLU 19 1.050 5.124 -16.270 149 H PHE 20 H PHE 20 -2.428 3.918 -15.003 150 HA PHE 20 HA PHE 20 -0.596 1.671 -14.902 151 1HB PHE 20 2HB PHE 20 -2.987 2.522 -13.286 152 2HB PHE 20 1HB PHE 20 -2.285 0.918 -13.093 153 HD1 PHE 20 HD1 PHE 20 -1.865 4.491 -12.479 154 HD2 PHE 20 HD2 PHE 20 0.080 0.663 -12.329 155 HE1 PHE 20 HE1 PHE 20 -0.122 5.433 -10.993 156 HE2 PHE 20 HE2 PHE 20 1.815 1.600 -10.835 157 HZ PHE 20 HZ PHE 20 1.721 3.989 -10.170 158 H LYS 21 H LYS 21 -4.042 2.194 -15.634 159 HA LYS 21 HA LYS 21 -4.877 -0.426 -16.000 160 1HB LYS 21 2HB LYS 21 -6.347 1.592 -16.028 161 2HB LYS 21 1HB LYS 21 -5.783 1.929 -17.663 162 1HG LYS 21 2HG LYS 21 -6.548 -0.810 -17.600 163 2HG LYS 21 1HG LYS 21 -7.837 0.105 -16.817 164 1HD LYS 21 2HD LYS 21 -7.446 1.734 -18.893 165 2HD LYS 21 1HD LYS 21 -6.855 0.249 -19.636 166 1HE LYS 21 2HE LYS 21 -8.930 -0.684 -19.720 167 2HE LYS 21 1HE LYS 21 -9.384 -0.049 -18.139 168 1HZ LYS 21 1HZ LYS 21 -10.679 0.958 -19.919 169 2HZ LYS 21 2HZ LYS 21 -9.258 1.523 -20.657 170 3HZ LYS 21 3HZ LYS 21 -9.722 2.119 -19.135 171 H ALA 22 H ALA 22 -3.093 1.638 -18.267 172 HA ALA 22 HA ALA 22 -3.396 0.074 -20.592 173 1HB ALA 22 1HB ALA 22 -2.404 2.304 -20.694 174 2HB ALA 22 2HB ALA 22 -1.264 1.121 -21.337 175 3HB ALA 22 3HB ALA 22 -1.042 1.765 -19.710 176 H ALA 23 H ALA 23 -0.775 0.082 -18.184 177 HA ALA 23 HA ALA 23 0.575 -2.207 -19.209 178 1HB ALA 23 1HB ALA 23 1.513 -2.223 -16.772 179 2HB ALA 23 2HB ALA 23 0.651 -0.695 -16.604 180 3HB ALA 23 3HB ALA 23 1.917 -0.868 -17.823 181 H PHE 24 H PHE 24 -1.890 -1.674 -16.755 182 HA PHE 24 HA PHE 24 -1.972 -4.227 -15.594 183 1HB PHE 24 2HB PHE 24 -3.175 -2.054 -14.883 184 2HB PHE 24 1HB PHE 24 -4.426 -2.533 -16.029 185 HD1 PHE 24 HD1 PHE 24 -5.558 -4.777 -15.758 186 HD2 PHE 24 HD2 PHE 24 -2.974 -3.113 -12.763 187 HE1 PHE 24 HE1 PHE 24 -6.494 -6.340 -14.080 188 HE2 PHE 24 HE2 PHE 24 -3.913 -4.670 -11.085 189 HZ PHE 24 HZ PHE 24 -5.677 -6.278 -11.743 190 H ASP 25 H ASP 25 -3.784 -2.905 -18.368 191 HA ASP 25 HA ASP 25 -5.380 -5.179 -18.858 192 1HB ASP 25 2HB ASP 25 -5.209 -2.659 -19.934 193 2HB ASP 25 1HB ASP 25 -4.622 -3.667 -21.256 194 H ILE 26 H ILE 26 -2.190 -4.274 -20.157 195 HA ILE 26 HA ILE 26 -2.070 -6.517 -21.954 196 HB ILE 26 HB ILE 26 0.315 -5.878 -22.251 197 1HG1 ILE 26 2HG1 ILE 26 -0.324 -3.661 -20.279 198 2HG1 ILE 26 1HG1 ILE 26 0.629 -5.085 -19.873 199 1HG2 ILE 26 1HG2 ILE 26 -0.158 -3.693 -23.266 200 2HG2 ILE 26 2HG2 ILE 26 -1.638 -3.558 -22.316 201 3HG2 ILE 26 3HG2 ILE 26 -1.496 -4.804 -23.556 202 1HD1 ILE 26 1HD1 ILE 26 1.534 -3.740 -22.321 203 2HD1 ILE 26 2HD1 ILE 26 2.466 -4.294 -20.931 204 3HD1 ILE 26 3HD1 ILE 26 1.649 -2.731 -20.879 205 H PHE 27 H PHE 27 -0.884 -5.895 -18.674 206 HA PHE 27 HA PHE 27 0.681 -8.304 -18.564 207 1HB PHE 27 2HB PHE 27 -0.249 -6.432 -16.378 208 2HB PHE 27 1HB PHE 27 0.820 -7.810 -16.112 209 HD1 PHE 27 HD1 PHE 27 2.427 -7.715 -18.653 210 HD2 PHE 27 HD2 PHE 27 1.205 -4.576 -15.984 211 HE1 PHE 27 HE1 PHE 27 4.354 -6.342 -19.385 212 HE2 PHE 27 HE2 PHE 27 3.136 -3.205 -16.723 213 HZ PHE 27 HZ PHE 27 4.707 -4.087 -18.421 214 H ILE 28 H ILE 28 -2.646 -7.458 -17.692 215 HA ILE 28 HA ILE 28 -3.031 -10.153 -16.561 216 HB ILE 28 HB ILE 28 -5.174 -9.428 -15.765 217 1HG1 ILE 28 2HG1 ILE 28 -5.519 -6.763 -16.332 218 2HG1 ILE 28 1HG1 ILE 28 -4.843 -7.360 -17.849 219 1HG2 ILE 28 1HG2 ILE 28 -3.342 -7.060 -15.357 220 2HG2 ILE 28 2HG2 ILE 28 -3.064 -8.622 -14.588 221 3HG2 ILE 28 3HG2 ILE 28 -4.538 -7.716 -14.238 222 1HD1 ILE 28 1HD1 ILE 28 -7.459 -7.479 -17.374 223 2HD1 ILE 28 2HD1 ILE 28 -7.002 -8.965 -16.541 224 3HD1 ILE 28 3HD1 ILE 28 -6.634 -8.767 -18.255 225 H GLN 29 H GLN 29 -2.769 -9.188 -19.548 226 HA GLN 29 HA GLN 29 -5.066 -9.563 -21.008 227 1HB GLN 29 2HB GLN 29 -2.940 -8.962 -22.036 228 2HB GLN 29 1HB GLN 29 -2.278 -10.550 -21.654 229 1HG GLN 29 2HG GLN 29 -3.845 -11.636 -23.129 230 2HG GLN 29 1HG GLN 29 -4.726 -10.130 -23.386 231 1HE2 GLN 29 1HE2 GLN 29 -3.050 -8.249 -24.154 232 2HE2 GLN 29 2HE2 GLN 29 -2.016 -8.728 -25.411 233 H ASP 30 H ASP 30 -2.979 -12.064 -19.612 234 HA ASP 30 HA ASP 30 -4.862 -14.143 -20.535 235 1HB ASP 30 2HB ASP 30 -2.030 -14.415 -19.496 236 2HB ASP 30 1HB ASP 30 -3.050 -15.744 -20.049 237 H ALA 31 H ALA 31 -5.111 -12.293 -18.106 238 HA ALA 31 HA ALA 31 -5.123 -14.283 -15.938 239 1HB ALA 31 1HB ALA 31 -4.105 -11.936 -15.657 240 2HB ALA 31 2HB ALA 31 -5.222 -12.490 -14.410 241 3HB ALA 31 3HB ALA 31 -5.770 -11.354 -15.643 242 H GLU 32 H GLU 32 -6.984 -14.584 -14.650 243 HA GLU 32 HA GLU 32 -9.538 -13.716 -15.865 244 1HB GLU 32 2HB GLU 32 -10.474 -15.972 -15.278 245 2HB GLU 32 1HB GLU 32 -9.259 -16.013 -16.554 246 1HG GLU 32 2HG GLU 32 -7.778 -17.190 -15.283 247 2HG GLU 32 1HG GLU 32 -8.171 -16.289 -13.819 248 H ASP 33 H ASP 33 -8.255 -12.438 -13.728 249 HA ASP 33 HA ASP 33 -10.192 -12.945 -11.569 250 1HB ASP 33 2HB ASP 33 -7.198 -12.812 -11.265 251 2HB ASP 33 1HB ASP 33 -8.289 -12.468 -9.923 252 H GLY 34 H GLY 34 -7.625 -10.775 -12.744 253 1HA GLY 34 2HA GLY 34 -8.259 -8.460 -13.296 254 2HA GLY 34 1HA GLY 34 -9.270 -8.473 -11.853 255 H CYS 35 H CYS 35 -5.961 -9.671 -12.319 256 HA CYS 35 HA CYS 35 -4.799 -7.493 -10.783 257 1HB CYS 35 2HB CYS 35 -3.813 -9.029 -9.076 258 2HB CYS 35 1HB CYS 35 -5.563 -8.866 -8.945 259 HG CYS 35 HG CYS 35 -5.817 -11.207 -10.103 260 H ILE 36 H ILE 36 -2.557 -7.375 -10.956 261 HA ILE 36 HA ILE 36 -1.417 -9.024 -13.110 262 HB ILE 36 HB ILE 36 0.308 -7.356 -13.321 263 1HG1 ILE 36 2HG1 ILE 36 -0.252 -5.279 -11.586 264 2HG1 ILE 36 1HG1 ILE 36 -0.521 -6.697 -10.572 265 1HG2 ILE 36 1HG2 ILE 36 -1.198 -5.211 -13.433 266 2HG2 ILE 36 2HG2 ILE 36 -2.502 -6.332 -13.039 267 3HG2 ILE 36 3HG2 ILE 36 -1.544 -6.571 -14.500 268 1HD1 ILE 36 1HD1 ILE 36 1.705 -7.568 -11.180 269 2HD1 ILE 36 2HD1 ILE 36 1.838 -5.963 -10.461 270 3HD1 ILE 36 3HD1 ILE 36 1.978 -6.162 -12.208 271 H SER 37 H SER 37 1.022 -9.492 -12.791 272 HA SER 37 HA SER 37 1.271 -10.886 -10.226 273 1HB SER 37 2HB SER 37 1.881 -11.699 -12.753 274 2HB SER 37 1HB SER 37 3.453 -11.131 -12.200 275 HG SER 37 HG SER 37 1.906 -13.265 -11.346 276 H THR 38 H THR 38 2.213 -9.849 -8.594 277 HA THR 38 HA THR 38 3.656 -7.458 -8.711 278 HB THR 38 HB THR 38 4.461 -7.989 -6.443 279 HG1 THR 38 HG1 THR 38 4.712 -9.988 -5.930 280 1HG2 THR 38 1HG2 THR 38 2.293 -7.132 -6.371 281 2HG2 THR 38 2HG2 THR 38 2.112 -8.660 -5.509 282 3HG2 THR 38 3HG2 THR 38 1.607 -8.532 -7.194 283 H LYS 39 H LYS 39 4.760 -10.805 -8.914 284 HA LYS 39 HA LYS 39 7.547 -10.339 -8.774 285 1HB LYS 39 2HB LYS 39 7.785 -12.538 -9.881 286 2HB LYS 39 1HB LYS 39 6.614 -12.599 -8.565 287 1HG LYS 39 2HG LYS 39 4.767 -12.376 -10.185 288 2HG LYS 39 1HG LYS 39 5.930 -12.293 -11.507 289 1HD LYS 39 2HD LYS 39 6.796 -14.568 -10.497 290 2HD LYS 39 1HD LYS 39 5.181 -14.636 -9.791 291 1HE LYS 39 2HE LYS 39 4.327 -14.112 -12.176 292 2HE LYS 39 1HE LYS 39 5.947 -14.559 -12.709 293 1HZ LYS 39 1HZ LYS 39 4.092 -16.261 -11.134 294 2HZ LYS 39 2HZ LYS 39 5.674 -16.692 -11.580 295 3HZ LYS 39 3HZ LYS 39 4.486 -16.460 -12.771 296 H GLU 40 H GLU 40 5.221 -10.070 -11.395 297 HA GLU 40 HA GLU 40 7.371 -9.450 -13.314 298 1HB GLU 40 2HB GLU 40 4.443 -10.117 -13.677 299 2HB GLU 40 1HB GLU 40 5.460 -9.523 -14.989 300 1HG GLU 40 2HG GLU 40 6.349 -11.879 -13.336 301 2HG GLU 40 1HG GLU 40 5.209 -12.105 -14.663 302 H LEU 41 H LEU 41 6.256 -7.670 -11.073 303 HA LEU 41 HA LEU 41 4.847 -5.537 -12.381 304 1HB LEU 41 2HB LEU 41 4.814 -6.069 -9.902 305 2HB LEU 41 1HB LEU 41 6.410 -5.355 -9.814 306 HG LEU 41 HG LEU 41 4.390 -3.638 -11.101 307 1HD1 LEU 41 1HD1 LEU 41 3.869 -3.208 -8.396 308 2HD1 LEU 41 2HD1 LEU 41 3.814 -4.962 -8.564 309 3HD1 LEU 41 3HD1 LEU 41 2.770 -3.948 -9.561 310 1HD2 LEU 41 1HD2 LEU 41 5.466 -2.208 -9.085 311 2HD2 LEU 41 2HD2 LEU 41 6.303 -2.455 -10.618 312 3HD2 LEU 41 3HD2 LEU 41 6.699 -3.462 -9.225 313 H GLY 42 H GLY 42 8.140 -6.491 -12.306 314 1HA GLY 42 2HA GLY 42 9.508 -4.044 -12.398 315 2HA GLY 42 1HA GLY 42 10.056 -5.539 -13.143 316 H LYS 43 H LYS 43 7.370 -5.484 -14.704 317 HA LYS 43 HA LYS 43 8.429 -4.065 -16.999 318 1HB LYS 43 2HB LYS 43 5.883 -5.661 -16.642 319 2HB LYS 43 1HB LYS 43 6.460 -5.003 -18.173 320 1HG LYS 43 2HG LYS 43 8.291 -6.735 -16.540 321 2HG LYS 43 1HG LYS 43 7.033 -7.489 -17.521 322 1HD LYS 43 2HD LYS 43 7.959 -5.863 -19.391 323 2HD LYS 43 1HD LYS 43 9.415 -5.893 -18.395 324 1HE LYS 43 2HE LYS 43 8.083 -8.497 -19.028 325 2HE LYS 43 1HE LYS 43 9.019 -7.712 -20.298 326 1HZ LYS 43 1HZ LYS 43 10.375 -9.225 -18.979 327 2HZ LYS 43 2HZ LYS 43 10.013 -8.348 -17.570 328 3HZ LYS 43 3HZ LYS 43 10.915 -7.625 -18.815 329 H VAL 44 H VAL 44 6.103 -3.447 -14.478 330 HA VAL 44 HA VAL 44 4.780 -1.349 -16.026 331 HB VAL 44 HB VAL 44 3.083 -1.345 -14.501 332 1HG1 VAL 44 1HG1 VAL 44 3.737 -3.863 -13.227 333 2HG1 VAL 44 2HG1 VAL 44 4.132 -3.910 -14.944 334 3HG1 VAL 44 3HG1 VAL 44 2.496 -3.506 -14.428 335 1HG2 VAL 44 1HG2 VAL 44 4.152 -0.460 -12.583 336 2HG2 VAL 44 2HG2 VAL 44 5.199 -1.869 -12.409 337 3HG2 VAL 44 3HG2 VAL 44 3.481 -1.995 -12.038 338 H MET 45 H MET 45 7.035 -1.704 -13.328 339 HA MET 45 HA MET 45 7.090 0.967 -12.465 340 1HB MET 45 2HB MET 45 9.474 0.438 -11.726 341 2HB MET 45 1HB MET 45 8.208 -0.601 -11.078 342 1HG MET 45 2HG MET 45 9.463 -2.327 -11.823 343 2HG MET 45 1HG MET 45 8.906 -1.883 -13.434 344 1HE MET 45 1HE MET 45 11.484 -3.348 -12.238 345 2HE MET 45 2HE MET 45 11.935 -2.155 -11.023 346 3HE MET 45 3HE MET 45 13.009 -2.463 -12.385 347 H ARG 46 H ARG 46 8.639 -0.596 -15.210 348 HA ARG 46 HA ARG 46 10.321 1.673 -15.834 349 1HB ARG 46 2HB ARG 46 9.560 -0.614 -17.660 350 2HB ARG 46 1HB ARG 46 10.927 0.484 -17.837 351 1HG ARG 46 2HG ARG 46 11.991 -0.396 -15.861 352 2HG ARG 46 1HG ARG 46 10.564 -1.349 -15.456 353 1HD ARG 46 2HD ARG 46 11.499 -3.043 -16.607 354 2HD ARG 46 1HD ARG 46 11.155 -2.120 -18.066 355 HE ARG 46 HE ARG 46 13.637 -1.344 -16.818 356 1HH1 ARG 46 2HH1 ARG 46 12.102 -3.664 -18.934 357 2HH1 ARG 46 1HH1 ARG 46 13.565 -4.052 -19.772 358 1HH2 ARG 46 1HH2 ARG 46 15.541 -1.874 -17.930 359 2HH2 ARG 46 2HH2 ARG 46 15.506 -3.045 -19.206 360 H MET 47 H MET 47 7.117 0.547 -16.678 361 HA MET 47 HA MET 47 6.770 2.365 -18.900 362 1HB MET 47 2HB MET 47 5.003 0.445 -17.422 363 2HB MET 47 1HB MET 47 4.273 1.676 -18.455 364 1HG MET 47 2HG MET 47 6.507 -0.110 -19.433 365 2HG MET 47 1HG MET 47 4.812 -0.576 -19.565 366 1HE MET 47 1HE MET 47 7.421 0.456 -21.825 367 2HE MET 47 2HE MET 47 7.653 1.592 -20.498 368 3HE MET 47 3HE MET 47 7.247 2.194 -22.102 369 H LEU 48 H LEU 48 6.178 2.417 -15.446 370 HA LEU 48 HA LEU 48 4.353 4.599 -15.362 371 1HB LEU 48 2HB LEU 48 6.096 3.175 -13.433 372 2HB LEU 48 1HB LEU 48 5.627 4.802 -12.998 373 HG LEU 48 HG LEU 48 3.298 4.206 -12.987 374 1HD1 LEU 48 1HD1 LEU 48 3.733 1.332 -13.565 375 2HD1 LEU 48 2HD1 LEU 48 3.904 2.411 -14.949 376 3HD1 LEU 48 3HD1 LEU 48 2.398 2.384 -14.033 377 1HD2 LEU 48 1HD2 LEU 48 3.701 1.884 -11.549 378 2HD2 LEU 48 2HD2 LEU 48 3.875 3.515 -10.901 379 3HD2 LEU 48 3HD2 LEU 48 5.291 2.644 -11.489 380 H GLY 49 H GLY 49 7.823 4.346 -15.613 381 1HA GLY 49 2HA GLY 49 8.914 6.286 -16.731 382 2HA GLY 49 1HA GLY 49 8.052 7.303 -15.583 383 H GLN 50 H GLN 50 9.387 4.243 -14.528 384 HA GLN 50 HA GLN 50 11.644 5.651 -13.230 385 1HB GLN 50 2HB GLN 50 10.076 3.421 -11.917 386 2HB GLN 50 1HB GLN 50 11.286 4.471 -11.182 387 1HG GLN 50 2HG GLN 50 8.654 5.479 -12.303 388 2HG GLN 50 1HG GLN 50 8.900 5.072 -10.606 389 1HE2 GLN 50 1HE2 GLN 50 8.506 7.765 -12.166 390 2HE2 GLN 50 2HE2 GLN 50 9.737 8.749 -11.536 391 H ASN 51 H ASN 51 13.230 3.918 -12.304 392 HA ASN 51 HA ASN 51 13.336 1.472 -13.901 393 1HB ASN 51 2HB ASN 51 15.768 2.023 -14.532 394 2HB ASN 51 1HB ASN 51 14.497 2.829 -15.446 395 1HD2 ASN 51 1HD2 ASN 51 15.606 4.792 -15.932 396 2HD2 ASN 51 2HD2 ASN 51 16.153 5.869 -14.738 397 HA PRO 52 HA PRO 52 15.263 1.342 -9.588 398 1HB PRO 52 2HB PRO 52 13.272 -0.028 -8.301 399 2HB PRO 52 1HB PRO 52 13.358 1.738 -8.389 400 1HG PRO 52 2HG PRO 52 11.604 -0.144 -9.867 401 2HG PRO 52 1HG PRO 52 11.291 1.520 -9.349 402 1HD PRO 52 2HD PRO 52 11.979 0.734 -11.954 403 2HD PRO 52 1HD PRO 52 12.076 2.388 -11.314 404 H THR 53 H THR 53 14.872 -0.980 -8.106 405 HA THR 53 HA THR 53 15.890 -3.070 -9.936 406 HB THR 53 HB THR 53 17.238 -3.849 -8.191 407 HG1 THR 53 HG1 THR 53 16.620 -3.859 -6.160 408 1HG2 THR 53 1HG2 THR 53 17.799 -1.474 -8.848 409 2HG2 THR 53 2HG2 THR 53 18.382 -1.965 -7.258 410 3HG2 THR 53 3HG2 THR 53 16.945 -0.950 -7.395 411 HA PRO 54 HA PRO 54 12.543 -5.777 -8.914 412 1HB PRO 54 2HB PRO 54 13.719 -8.161 -8.245 413 2HB PRO 54 1HB PRO 54 13.616 -7.535 -9.898 414 1HG PRO 54 2HG PRO 54 15.945 -7.619 -8.054 415 2HG PRO 54 1HG PRO 54 15.900 -7.706 -9.822 416 1HD PRO 54 2HD PRO 54 16.580 -5.440 -8.331 417 2HD PRO 54 1HD PRO 54 16.100 -5.429 -10.043 418 H GLU 55 H GLU 55 15.019 -5.510 -6.445 419 HA GLU 55 HA GLU 55 13.372 -6.597 -4.318 420 1HB GLU 55 2HB GLU 55 16.104 -5.386 -4.504 421 2HB GLU 55 1HB GLU 55 15.292 -5.385 -2.939 422 1HG GLU 55 2HG GLU 55 15.490 -7.891 -4.614 423 2HG GLU 55 1HG GLU 55 16.767 -7.426 -3.491 424 H GLU 56 H GLU 56 14.283 -3.447 -5.625 425 HA GLU 56 HA GLU 56 13.183 -1.834 -3.559 426 1HB GLU 56 2HB GLU 56 14.749 -1.260 -5.643 427 2HB GLU 56 1HB GLU 56 13.197 -0.853 -6.376 428 1HG GLU 56 2HG GLU 56 12.714 0.542 -4.305 429 2HG GLU 56 1HG GLU 56 14.400 0.300 -3.849 430 H LEU 57 H LEU 57 11.895 -2.833 -6.752 431 HA LEU 57 HA LEU 57 9.372 -1.603 -6.470 432 1HB LEU 57 2HB LEU 57 8.661 -2.893 -8.322 433 2HB LEU 57 1HB LEU 57 10.330 -2.465 -8.605 434 HG LEU 57 HG LEU 57 10.771 -4.870 -7.573 435 1HD1 LEU 57 1HD1 LEU 57 8.677 -6.154 -8.819 436 2HD1 LEU 57 2HD1 LEU 57 7.865 -4.778 -8.072 437 3HD1 LEU 57 3HD1 LEU 57 8.798 -5.898 -7.078 438 1HD2 LEU 57 1HD2 LEU 57 9.729 -4.343 -10.375 439 2HD2 LEU 57 2HD2 LEU 57 10.664 -5.761 -9.898 440 3HD2 LEU 57 3HD2 LEU 57 11.398 -4.159 -9.834 441 H GLN 58 H GLN 58 10.584 -4.764 -5.436 442 HA GLN 58 HA GLN 58 8.094 -5.928 -4.759 443 1HB GLN 58 2HB GLN 58 10.906 -6.543 -4.313 444 2HB GLN 58 1HB GLN 58 9.918 -6.941 -2.907 445 1HG GLN 58 2HG GLN 58 9.268 -7.796 -5.744 446 2HG GLN 58 1HG GLN 58 10.081 -8.819 -4.560 447 1HE2 GLN 58 1HE2 GLN 58 6.987 -7.760 -5.672 448 2HE2 GLN 58 2HE2 GLN 58 6.060 -8.444 -4.428 449 H GLU 59 H GLU 59 10.356 -3.898 -2.917 450 HA GLU 59 HA GLU 59 9.061 -4.025 -0.414 451 1HB GLU 59 2HB GLU 59 10.817 -1.934 -1.696 452 2HB GLU 59 1HB GLU 59 10.132 -1.704 -0.088 453 1HG GLU 59 2HG GLU 59 11.716 -4.169 -0.854 454 2HG GLU 59 1HG GLU 59 12.460 -2.736 -0.145 455 H MET 60 H MET 60 8.510 -1.984 -3.254 456 HA MET 60 HA MET 60 6.630 -0.216 -2.045 457 1HB MET 60 2HB MET 60 6.811 -0.994 -4.967 458 2HB MET 60 1HB MET 60 6.041 0.447 -4.305 459 1HG MET 60 2HG MET 60 8.403 0.908 -3.265 460 2HG MET 60 1HG MET 60 8.965 -0.207 -4.510 461 1HE MET 60 1HE MET 60 8.458 3.558 -3.869 462 2HE MET 60 2HE MET 60 6.927 2.735 -3.582 463 3HE MET 60 3HE MET 60 7.060 3.899 -4.898 464 H ILE 61 H ILE 61 6.366 -3.244 -3.820 465 HA ILE 61 HA ILE 61 3.526 -3.353 -3.937 466 HB ILE 61 HB ILE 61 5.587 -5.572 -4.044 467 1HG1 ILE 61 2HG1 ILE 61 3.994 -4.535 -6.369 468 2HG1 ILE 61 1HG1 ILE 61 5.391 -3.610 -5.814 469 1HG2 ILE 61 1HG2 ILE 61 3.839 -6.994 -4.886 470 2HG2 ILE 61 2HG2 ILE 61 2.694 -5.655 -4.945 471 3HG2 ILE 61 3HG2 ILE 61 3.237 -6.285 -3.389 472 1HD1 ILE 61 1HD1 ILE 61 6.863 -5.482 -6.156 473 2HD1 ILE 61 2HD1 ILE 61 5.900 -5.304 -7.624 474 3HD1 ILE 61 3HD1 ILE 61 5.506 -6.566 -6.458 475 H ASP 62 H ASP 62 5.892 -4.855 -1.728 476 HA ASP 62 HA ASP 62 4.105 -6.228 -0.071 477 1HB ASP 62 2HB ASP 62 6.827 -5.037 0.401 478 2HB ASP 62 1HB ASP 62 5.938 -5.793 1.723 479 H GLU 63 H GLU 63 4.935 -2.807 -0.149 480 HA GLU 63 HA GLU 63 3.646 -2.242 2.392 481 1HB GLU 63 2HB GLU 63 4.925 -0.510 0.280 482 2HB GLU 63 1HB GLU 63 4.075 0.170 1.668 483 1HG GLU 63 2HG GLU 63 6.137 -1.948 2.161 484 2HG GLU 63 1HG GLU 63 6.684 -0.316 1.780 485 H VAL 64 H VAL 64 2.956 -1.614 -1.062 486 HA VAL 64 HA VAL 64 0.493 -0.243 -0.522 487 HB VAL 64 HB VAL 64 1.799 0.159 -2.583 488 1HG1 VAL 64 1HG1 VAL 64 0.744 -2.464 -3.633 489 2HG1 VAL 64 2HG1 VAL 64 2.311 -2.374 -2.831 490 3HG1 VAL 64 3HG1 VAL 64 2.019 -1.442 -4.297 491 1HG2 VAL 64 1HG2 VAL 64 -0.084 0.594 -3.859 492 2HG2 VAL 64 2HG2 VAL 64 -0.845 0.287 -2.298 493 3HG2 VAL 64 3HG2 VAL 64 -0.805 -0.981 -3.524 494 H ASP 65 H ASP 65 1.290 -3.580 -1.483 495 HA ASP 65 HA ASP 65 -1.395 -4.434 -1.848 496 1HB ASP 65 2HB ASP 65 1.133 -5.574 -2.193 497 2HB ASP 65 1HB ASP 65 0.382 -6.547 -0.933 498 H GLU 66 H GLU 66 -2.871 -4.361 -0.310 499 HA GLU 66 HA GLU 66 -2.355 -4.250 2.476 500 1HB GLU 66 2HB GLU 66 -4.945 -5.105 1.159 501 2HB GLU 66 1HB GLU 66 -4.746 -4.437 2.778 502 1HG GLU 66 2HG GLU 66 -3.677 -2.800 0.536 503 2HG GLU 66 1HG GLU 66 -5.431 -2.924 0.647 504 H ASP 67 H ASP 67 -3.459 -6.875 0.369 505 HA ASP 67 HA ASP 67 -3.394 -8.807 2.547 506 1HB ASP 67 2HB ASP 67 -3.944 -10.440 0.632 507 2HB ASP 67 1HB ASP 67 -5.164 -9.242 1.061 508 H GLY 68 H GLY 68 -1.500 -8.050 -0.354 509 1HA GLY 68 2HA GLY 68 0.691 -8.582 -0.876 510 2HA GLY 68 1HA GLY 68 0.857 -9.274 0.738 511 H SER 69 H SER 69 -1.289 -10.019 -1.998 512 HA SER 69 HA SER 69 -0.811 -12.872 -1.640 513 1HB SER 69 2HB SER 69 -2.584 -13.116 -3.369 514 2HB SER 69 1HB SER 69 -3.100 -12.156 -1.985 515 HG SER 69 HG SER 69 -3.393 -10.552 -3.305 516 H GLY 70 H GLY 70 1.066 -10.697 -3.117 517 1HA GLY 70 2HA GLY 70 2.733 -10.943 -4.694 518 2HA GLY 70 1HA GLY 70 2.184 -12.596 -4.956 519 H THR 71 H THR 71 -0.206 -10.109 -5.151 520 HA THR 71 HA THR 71 0.032 -9.845 -8.055 521 HB THR 71 HB THR 71 -2.224 -10.558 -8.504 522 HG1 THR 71 HG1 THR 71 -3.655 -10.622 -6.980 523 1HG2 THR 71 1HG2 THR 71 -0.869 -12.550 -6.660 524 2HG2 THR 71 2HG2 THR 71 -0.550 -12.361 -8.386 525 3HG2 THR 71 3HG2 THR 71 -2.125 -12.936 -7.838 526 H VAL 72 H VAL 72 -0.539 -7.853 -8.727 527 HA VAL 72 HA VAL 72 -1.677 -6.028 -6.710 528 HB VAL 72 HB VAL 72 -0.490 -5.189 -9.347 529 1HG1 VAL 72 1HG1 VAL 72 -0.657 -3.784 -6.668 530 2HG1 VAL 72 2HG1 VAL 72 -1.859 -3.600 -7.946 531 3HG1 VAL 72 3HG1 VAL 72 -0.196 -3.074 -8.215 532 1HG2 VAL 72 1HG2 VAL 72 1.624 -4.779 -8.021 533 2HG2 VAL 72 2HG2 VAL 72 1.260 -6.485 -8.289 534 3HG2 VAL 72 3HG2 VAL 72 0.925 -5.745 -6.722 535 H ASP 73 H ASP 73 -3.764 -5.627 -6.838 536 HA ASP 73 HA ASP 73 -5.290 -6.161 -9.256 537 1HB ASP 73 2HB ASP 73 -6.098 -4.994 -6.572 538 2HB ASP 73 1HB ASP 73 -7.220 -5.340 -7.887 539 H PHE 74 H PHE 74 -6.769 -4.391 -10.125 540 HA PHE 74 HA PHE 74 -5.250 -2.172 -10.932 541 1HB PHE 74 2HB PHE 74 -7.366 -3.052 -12.050 542 2HB PHE 74 1HB PHE 74 -8.268 -2.147 -10.833 543 HD1 PHE 74 HD1 PHE 74 -5.085 -1.380 -12.646 544 HD2 PHE 74 HD2 PHE 74 -9.156 -0.250 -11.891 545 HE1 PHE 74 HE1 PHE 74 -4.751 0.691 -13.953 546 HE2 PHE 74 HE2 PHE 74 -8.821 1.827 -13.202 547 HZ PHE 74 HZ PHE 74 -6.620 2.298 -14.236 548 H ASP 75 H ASP 75 -7.400 -2.625 -8.183 549 HA ASP 75 HA ASP 75 -7.564 0.109 -7.398 550 1HB ASP 75 2HB ASP 75 -8.945 -1.973 -6.581 551 2HB ASP 75 1HB ASP 75 -7.643 -2.134 -5.403 552 H GLU 76 H GLU 76 -5.412 -2.580 -6.499 553 HA GLU 76 HA GLU 76 -3.828 -1.066 -4.651 554 1HB GLU 76 2HB GLU 76 -3.042 -3.583 -6.147 555 2HB GLU 76 1HB GLU 76 -2.301 -2.955 -4.676 556 1HG GLU 76 2HG GLU 76 -4.441 -3.257 -3.469 557 2HG GLU 76 1HG GLU 76 -5.174 -3.896 -4.939 558 H PHE 77 H PHE 77 -3.761 -1.635 -8.099 559 HA PHE 77 HA PHE 77 -1.119 -0.820 -8.679 560 1HB PHE 77 2HB PHE 77 -3.132 -1.899 -10.131 561 2HB PHE 77 1HB PHE 77 -3.266 -0.227 -10.647 562 HD1 PHE 77 HD1 PHE 77 -2.704 -1.083 -12.922 563 HD2 PHE 77 HD2 PHE 77 0.085 -1.318 -9.653 564 HE1 PHE 77 HE1 PHE 77 -0.843 -1.438 -14.519 565 HE2 PHE 77 HE2 PHE 77 1.932 -1.664 -11.256 566 HZ PHE 77 HZ PHE 77 1.471 -1.729 -13.691 567 H LEU 78 H LEU 78 -4.202 0.971 -8.861 568 HA LEU 78 HA LEU 78 -2.943 3.491 -9.429 569 1HB LEU 78 2HB LEU 78 -5.711 2.570 -8.823 570 2HB LEU 78 1HB LEU 78 -5.346 4.273 -8.611 571 HG LEU 78 HG LEU 78 -4.839 4.534 -10.938 572 1HD1 LEU 78 1HD1 LEU 78 -3.594 2.413 -11.222 573 2HD1 LEU 78 2HD1 LEU 78 -4.789 2.640 -12.497 574 3HD1 LEU 78 3HD1 LEU 78 -5.116 1.524 -11.171 575 1HD2 LEU 78 1HD2 LEU 78 -7.223 4.513 -10.463 576 2HD2 LEU 78 2HD2 LEU 78 -7.259 2.751 -10.533 577 3HD2 LEU 78 3HD2 LEU 78 -6.954 3.685 -11.998 578 H VAL 79 H VAL 79 -3.871 1.776 -6.526 579 HA VAL 79 HA VAL 79 -3.917 3.928 -4.700 580 HB VAL 79 HB VAL 79 -3.694 0.972 -4.531 581 1HG1 VAL 79 1HG1 VAL 79 -1.794 1.681 -3.121 582 2HG1 VAL 79 2HG1 VAL 79 -3.102 1.003 -2.151 583 3HG1 VAL 79 3HG1 VAL 79 -2.867 2.750 -2.219 584 1HG2 VAL 79 1HG2 VAL 79 -5.791 2.441 -4.342 585 2HG2 VAL 79 2HG2 VAL 79 -5.181 2.916 -2.757 586 3HG2 VAL 79 3HG2 VAL 79 -5.563 1.226 -3.083 587 H MET 80 H MET 80 -1.306 1.791 -5.799 588 HA MET 80 HA MET 80 0.811 2.538 -4.221 589 1HB MET 80 2HB MET 80 0.507 1.130 -6.604 590 2HB MET 80 1HB MET 80 1.607 2.444 -7.024 591 1HG MET 80 2HG MET 80 3.156 1.820 -5.318 592 2HG MET 80 1HG MET 80 1.989 0.739 -4.559 593 1HE MET 80 1HE MET 80 4.293 1.540 -7.406 594 2HE MET 80 2HE MET 80 2.896 1.234 -8.434 595 3HE MET 80 3HE MET 80 4.275 0.141 -8.487 596 H MET 81 H MET 81 -0.665 4.393 -6.844 597 HA MET 81 HA MET 81 1.396 6.342 -7.110 598 1HB MET 81 2HB MET 81 -0.461 5.939 -8.769 599 2HB MET 81 1HB MET 81 -1.553 6.756 -7.651 600 1HG MET 81 2HG MET 81 -0.781 8.798 -8.236 601 2HG MET 81 1HG MET 81 0.900 8.282 -8.110 602 1HE MET 81 1HE MET 81 1.758 6.675 -11.392 603 2HE MET 81 2HE MET 81 1.739 6.417 -9.650 604 3HE MET 81 3HE MET 81 2.442 7.894 -10.307 605 H VAL 82 H VAL 82 -1.758 6.498 -5.418 606 HA VAL 82 HA VAL 82 -1.218 9.001 -4.158 607 HB VAL 82 HB VAL 82 -3.166 8.443 -2.702 608 1HG1 VAL 82 1HG1 VAL 82 -3.640 9.556 -4.766 609 2HG1 VAL 82 2HG1 VAL 82 -4.803 8.235 -4.645 610 3HG1 VAL 82 3HG1 VAL 82 -3.397 8.077 -5.696 611 1HG2 VAL 82 1HG2 VAL 82 -4.396 6.385 -3.053 612 2HG2 VAL 82 2HG2 VAL 82 -2.727 5.961 -2.671 613 3HG2 VAL 82 3HG2 VAL 82 -3.294 5.893 -4.339 614 H ARG 83 H ARG 83 -0.506 5.688 -3.319 615 HA ARG 83 HA ARG 83 -0.087 5.889 -0.558 616 1HB ARG 83 2HB ARG 83 1.182 4.157 -2.674 617 2HB ARG 83 1HB ARG 83 1.642 4.031 -0.976 618 1HG ARG 83 2HG ARG 83 -1.275 4.030 -1.579 619 2HG ARG 83 1HG ARG 83 -0.369 2.586 -2.030 620 1HD ARG 83 2HD ARG 83 0.339 2.199 0.198 621 2HD ARG 83 1HD ARG 83 -0.102 3.825 0.709 622 HE ARG 83 HE ARG 83 -2.479 2.721 -0.091 623 1HH1 ARG 83 2HH1 ARG 83 0.047 1.787 2.133 624 2HH1 ARG 83 1HH1 ARG 83 -1.024 0.924 3.182 625 1HH2 ARG 83 1HH2 ARG 83 -3.864 1.586 1.298 626 2HH2 ARG 83 2HH2 ARG 83 -3.233 0.810 2.712 627 H CYS 84 H CYS 84 1.861 7.035 -3.235 628 HA CYS 84 HA CYS 84 4.274 7.409 -1.710 629 1HB CYS 84 2HB CYS 84 3.988 7.213 -4.300 630 2HB CYS 84 1HB CYS 84 3.645 8.941 -4.218 631 HG CYS 84 HG CYS 84 6.037 9.121 -2.916 632 H MET 85 H MET 85 1.517 9.428 -2.657 633 HA MET 85 HA MET 85 2.584 11.886 -1.659 634 1HB MET 85 2HB MET 85 -0.100 10.943 -2.583 635 2HB MET 85 1HB MET 85 -0.021 12.421 -1.623 636 1HG MET 85 2HG MET 85 0.178 13.126 -3.893 637 2HG MET 85 1HG MET 85 1.810 13.200 -3.233 638 1HE MET 85 1HE MET 85 -0.814 11.145 -4.935 639 2HE MET 85 2HE MET 85 0.006 10.312 -6.252 640 3HE MET 85 3HE MET 85 -0.161 12.065 -6.298 641 H LYS 86 H LYS 86 -0.175 9.965 -0.406 642 HA LYS 86 HA LYS 86 0.328 11.060 2.275 643 1HB LYS 86 2HB LYS 86 -2.019 10.590 0.911 644 2HB LYS 86 1HB LYS 86 -1.911 9.177 1.961 645 1HG LYS 86 2HG LYS 86 -1.176 11.211 3.668 646 2HG LYS 86 1HG LYS 86 -2.388 12.000 2.658 647 1HD LYS 86 2HD LYS 86 -4.093 10.662 3.417 648 2HD LYS 86 1HD LYS 86 -3.041 9.262 3.630 649 1HE LYS 86 2HE LYS 86 -2.078 10.255 5.650 650 2HE LYS 86 1HE LYS 86 -3.042 11.713 5.420 651 1HZ LYS 86 1HZ LYS 86 -4.026 10.166 7.031 652 2HZ LYS 86 2HZ LYS 86 -4.159 8.988 5.813 653 3HZ LYS 86 3HZ LYS 86 -5.043 10.435 5.701 654 H ASP 87 H ASP 87 -0.699 8.977 3.845 655 HA ASP 87 HA ASP 87 -0.060 7.066 4.940 656 1HB ASP 87 2HB ASP 87 -0.684 6.016 2.741 657 2HB ASP 87 1HB ASP 87 1.006 6.147 2.257 658 H ASP 88 H ASP 88 1.469 8.178 6.195 659 HA ASP 88 HA ASP 88 4.238 8.309 5.270 660 1HB ASP 88 2HB ASP 88 2.901 9.205 7.835 661 2HB ASP 88 1HB ASP 88 4.630 9.363 7.525 662 H SER 89 HN SER 89 4.348 5.933 5.077 663 HA SER 89 HA SER 89 4.382 4.370 7.522 664 1HB SER 89 2HB SER 89 5.192 2.537 5.983 665 2HB SER 89 1HB SER 89 3.627 3.220 5.556 666 HG SER 89 HG SER 89 4.470 4.022 3.787 Start of MODEL 30 1 1H MET 1 1H MET 1 -6.539 10.878 10.487 2 2H MET 1 2H MET 1 -7.899 11.857 10.772 3 3H MET 1 3H MET 1 -6.568 12.475 9.915 4 HA MET 1 HA MET 1 -8.361 10.286 9.009 5 1HB MET 1 2HB MET 1 -8.314 13.223 8.615 6 2HB MET 1 1HB MET 1 -8.523 12.272 7.144 7 1HG MET 1 2HG MET 1 -10.480 11.206 7.985 8 2HG MET 1 1HG MET 1 -10.165 11.758 9.630 9 1HE MET 1 1HE MET 1 -12.568 11.682 7.953 10 2HE MET 1 2HE MET 1 -13.277 13.205 7.420 11 3HE MET 1 3HE MET 1 -13.182 12.841 9.141 12 H ASN 2 H ASN 2 -7.239 8.871 7.849 13 HA ASN 2 HA ASN 2 -4.911 9.818 6.274 14 1HB ASN 2 2HB ASN 2 -5.427 7.027 7.341 15 2HB ASN 2 1HB ASN 2 -3.998 7.559 6.458 16 1HD2 ASN 2 1HD2 ASN 2 -5.845 8.287 9.465 17 2HD2 ASN 2 2HD2 ASN 2 -4.483 8.772 10.357 18 H ASP 3 H ASP 3 -7.746 9.834 5.488 19 HA ASP 3 HA ASP 3 -8.060 7.673 3.575 20 1HB ASP 3 2HB ASP 3 -10.192 8.721 3.030 21 2HB ASP 3 1HB ASP 3 -10.014 8.603 4.780 22 H ILE 4 H ILE 4 -6.259 10.478 3.517 23 HA ILE 4 HA ILE 4 -6.808 11.684 1.071 24 HB ILE 4 HB ILE 4 -4.589 12.587 1.079 25 1HG1 ILE 4 2HG1 ILE 4 -3.435 10.374 1.552 26 2HG1 ILE 4 1HG1 ILE 4 -2.771 11.757 2.413 27 1HG2 ILE 4 1HG2 ILE 4 -4.601 12.728 3.906 28 2HG2 ILE 4 2HG2 ILE 4 -6.284 12.581 3.401 29 3HG2 ILE 4 3HG2 ILE 4 -5.283 13.884 2.763 30 1HD1 ILE 4 1HD1 ILE 4 -4.389 11.049 4.331 31 2HD1 ILE 4 2HD1 ILE 4 -2.918 10.111 4.084 32 3HD1 ILE 4 3HD1 ILE 4 -4.461 9.504 3.485 33 H TYR 5 H TYR 5 -5.147 8.658 1.690 34 HA TYR 5 HA TYR 5 -3.921 8.377 -0.868 35 1HB TYR 5 2HB TYR 5 -4.752 6.309 1.183 36 2HB TYR 5 1HB TYR 5 -3.861 5.924 -0.289 37 HD1 TYR 5 HD1 TYR 5 -1.532 6.594 -0.575 38 HD2 TYR 5 HD2 TYR 5 -3.719 7.639 2.973 39 HE1 TYR 5 HE1 TYR 5 0.587 7.228 0.548 40 HE2 TYR 5 HE2 TYR 5 -1.602 8.272 4.093 41 HH TYR 5 HH TYR 5 0.927 9.090 2.915 42 H LYS 6 H LYS 6 -6.936 7.039 0.494 43 HA LYS 6 HA LYS 6 -7.780 5.979 -2.065 44 1HB LYS 6 2HB LYS 6 -9.099 6.148 0.645 45 2HB LYS 6 1HB LYS 6 -9.932 5.517 -0.776 46 1HG LYS 6 2HG LYS 6 -8.691 3.599 -0.819 47 2HG LYS 6 1HG LYS 6 -7.217 4.422 -0.310 48 1HD LYS 6 2HD LYS 6 -8.604 4.667 1.969 49 2HD LYS 6 1HD LYS 6 -9.384 3.213 1.349 50 1HE LYS 6 2HE LYS 6 -6.834 2.519 0.888 51 2HE LYS 6 1HE LYS 6 -6.568 3.620 2.239 52 1HZ LYS 6 1HZ LYS 6 -6.913 1.384 3.034 53 2HZ LYS 6 2HZ LYS 6 -8.400 1.282 2.220 54 3HZ LYS 6 3HZ LYS 6 -8.209 2.365 3.517 55 H ALA 7 H ALA 7 -7.946 9.045 -0.579 56 HA ALA 7 HA ALA 7 -10.466 9.910 -1.652 57 1HB ALA 7 1HB ALA 7 -8.101 11.416 -0.525 58 2HB ALA 7 2HB ALA 7 -9.641 11.083 0.267 59 3HB ALA 7 3HB ALA 7 -9.573 12.208 -1.090 60 H ALA 8 H ALA 8 -7.131 9.879 -2.781 61 HA ALA 8 HA ALA 8 -7.608 11.692 -4.979 62 1HB ALA 8 1HB ALA 8 -5.365 11.488 -4.013 63 2HB ALA 8 2HB ALA 8 -5.350 11.033 -5.716 64 3HB ALA 8 3HB ALA 8 -5.312 9.786 -4.471 65 H VAL 9 H VAL 9 -7.252 8.169 -4.615 66 HA VAL 9 HA VAL 9 -7.496 7.553 -7.373 67 HB VAL 9 HB VAL 9 -6.597 5.998 -5.618 68 1HG1 VAL 9 1HG1 VAL 9 -8.418 6.407 -3.956 69 2HG1 VAL 9 2HG1 VAL 9 -8.158 4.695 -4.282 70 3HG1 VAL 9 3HG1 VAL 9 -9.530 5.531 -5.008 71 1HG2 VAL 9 1HG2 VAL 9 -8.899 4.734 -7.113 72 2HG2 VAL 9 2HG2 VAL 9 -7.313 4.045 -6.762 73 3HG2 VAL 9 3HG2 VAL 9 -7.470 5.337 -7.952 74 H GLU 10 H GLU 10 -9.878 8.296 -4.922 75 HA GLU 10 HA GLU 10 -12.088 7.215 -6.446 76 1HB GLU 10 2HB GLU 10 -13.503 8.051 -4.689 77 2HB GLU 10 1HB GLU 10 -12.088 7.309 -3.947 78 1HG GLU 10 2HG GLU 10 -11.129 9.393 -3.404 79 2HG GLU 10 1HG GLU 10 -12.158 10.267 -4.535 80 H GLN 11 H GLN 11 -10.328 10.204 -6.396 81 HA GLN 11 HA GLN 11 -12.398 11.373 -8.155 82 1HB GLN 11 2HB GLN 11 -12.051 13.569 -7.216 83 2HB GLN 11 1HB GLN 11 -12.443 12.455 -5.908 84 1HG GLN 11 2HG GLN 11 -9.801 12.192 -5.787 85 2HG GLN 11 1HG GLN 11 -9.832 13.777 -6.556 86 1HE2 GLN 11 1HE2 GLN 11 -9.045 14.853 -4.601 87 2HE2 GLN 11 2HE2 GLN 11 -10.042 15.042 -3.241 88 H LEU 12 H LEU 12 -9.892 9.906 -8.768 89 HA LEU 12 HA LEU 12 -8.000 11.869 -9.729 90 1HB LEU 12 2HB LEU 12 -7.183 9.763 -11.068 91 2HB LEU 12 1HB LEU 12 -6.868 9.926 -9.358 92 HG LEU 12 HG LEU 12 -8.639 8.364 -8.834 93 1HD1 LEU 12 1HD1 LEU 12 -10.229 9.001 -10.600 94 2HD1 LEU 12 2HD1 LEU 12 -9.934 7.263 -10.631 95 3HD1 LEU 12 3HD1 LEU 12 -9.160 8.309 -11.821 96 1HD2 LEU 12 1HD2 LEU 12 -7.658 6.374 -9.738 97 2HD2 LEU 12 2HD2 LEU 12 -6.352 7.550 -9.607 98 3HD2 LEU 12 3HD2 LEU 12 -7.094 7.227 -11.174 99 H THR 13 H THR 13 -7.294 11.470 -12.185 100 HA THR 13 HA THR 13 -9.627 12.282 -13.748 101 HB THR 13 HB THR 13 -7.580 12.351 -15.528 102 HG1 THR 13 HG1 THR 13 -5.968 11.744 -14.203 103 1HG2 THR 13 1HG2 THR 13 -7.903 14.590 -15.402 104 2HG2 THR 13 2HG2 THR 13 -7.603 14.639 -13.664 105 3HG2 THR 13 3HG2 THR 13 -9.184 14.152 -14.274 106 H ASP 14 H ASP 14 -9.876 11.467 -15.969 107 HA ASP 14 HA ASP 14 -10.116 8.620 -16.016 108 1HB ASP 14 2HB ASP 14 -11.505 10.387 -17.322 109 2HB ASP 14 1HB ASP 14 -10.181 10.344 -18.485 110 H GLU 15 H GLU 15 -7.732 10.931 -17.146 111 HA GLU 15 HA GLU 15 -6.297 9.234 -18.910 112 1HB GLU 15 2HB GLU 15 -5.689 11.779 -17.460 113 2HB GLU 15 1HB GLU 15 -4.356 10.877 -18.180 114 1HG GLU 15 2HG GLU 15 -6.862 11.561 -19.728 115 2HG GLU 15 1HG GLU 15 -5.464 12.635 -19.679 116 H GLN 16 H GLN 16 -6.224 9.677 -15.414 117 HA GLN 16 HA GLN 16 -3.793 8.216 -14.978 118 1HB GLN 16 2HB GLN 16 -5.946 9.361 -13.278 119 2HB GLN 16 1HB GLN 16 -5.048 8.000 -12.601 120 1HG GLN 16 2HG GLN 16 -2.986 9.138 -12.723 121 2HG GLN 16 1HG GLN 16 -3.606 10.314 -13.883 122 1HE2 GLN 16 1HE2 GLN 16 -4.817 9.202 -10.661 123 2HE2 GLN 16 2HE2 GLN 16 -4.944 10.768 -10.017 124 H LYS 17 H LYS 17 -7.261 7.450 -14.898 125 HA LYS 17 HA LYS 17 -7.081 4.785 -14.007 126 1HB LYS 17 2HB LYS 17 -9.085 6.069 -15.888 127 2HB LYS 17 1HB LYS 17 -9.265 4.461 -15.192 128 1HG LYS 17 2HG LYS 17 -9.047 7.055 -13.634 129 2HG LYS 17 1HG LYS 17 -10.516 6.108 -13.870 130 1HD LYS 17 2HD LYS 17 -8.799 4.211 -12.891 131 2HD LYS 17 1HD LYS 17 -8.262 5.651 -12.028 132 1HE LYS 17 2HE LYS 17 -9.958 5.009 -10.605 133 2HE LYS 17 1HE LYS 17 -10.908 5.977 -11.731 134 1HZ LYS 17 1HZ LYS 17 -11.233 3.846 -13.012 135 2HZ LYS 17 2HZ LYS 17 -12.032 3.946 -11.516 136 3HZ LYS 17 3HZ LYS 17 -10.608 3.032 -11.661 137 H ASN 18 H ASN 18 -7.002 6.191 -17.276 138 HA ASN 18 HA ASN 18 -6.671 3.664 -18.605 139 1HB ASN 18 2HB ASN 18 -6.621 6.528 -19.408 140 2HB ASN 18 1HB ASN 18 -5.767 5.389 -20.449 141 1HD2 ASN 18 1HD2 ASN 18 -8.927 6.475 -19.427 142 2HD2 ASN 18 2HD2 ASN 18 -9.822 5.406 -20.394 143 H GLU 19 H GLU 19 -4.500 6.046 -17.219 144 HA GLU 19 HA GLU 19 -2.097 5.401 -18.488 145 1HB GLU 19 2HB GLU 19 -2.410 7.299 -16.896 146 2HB GLU 19 1HB GLU 19 -2.439 6.138 -15.569 147 1HG GLU 19 2HG GLU 19 -0.174 5.349 -16.261 148 2HG GLU 19 1HG GLU 19 -0.145 6.608 -17.496 149 H PHE 20 H PHE 20 -3.560 3.967 -15.562 150 HA PHE 20 HA PHE 20 -1.480 1.919 -15.460 151 1HB PHE 20 2HB PHE 20 -3.772 2.690 -13.684 152 2HB PHE 20 1HB PHE 20 -2.998 1.117 -13.505 153 HD1 PHE 20 HD1 PHE 20 -2.489 4.775 -13.325 154 HD2 PHE 20 HD2 PHE 20 -0.737 0.911 -12.676 155 HE1 PHE 20 HE1 PHE 20 -0.640 5.829 -12.058 156 HE2 PHE 20 HE2 PHE 20 1.109 1.953 -11.399 157 HZ PHE 20 HZ PHE 20 1.163 4.419 -11.092 158 H LYS 21 H LYS 21 -4.998 2.130 -16.012 159 HA LYS 21 HA LYS 21 -5.565 -0.595 -16.223 160 1HB LYS 21 2HB LYS 21 -7.293 1.167 -16.155 161 2HB LYS 21 1HB LYS 21 -6.851 1.649 -17.791 162 1HG LYS 21 2HG LYS 21 -7.376 -1.235 -17.512 163 2HG LYS 21 1HG LYS 21 -8.776 -0.224 -17.158 164 1HD LYS 21 2HD LYS 21 -7.092 0.174 -19.639 165 2HD LYS 21 1HD LYS 21 -8.476 -0.919 -19.606 166 1HE LYS 21 2HE LYS 21 -9.719 1.177 -18.580 167 2HE LYS 21 1HE LYS 21 -8.420 2.071 -19.369 168 1HZ LYS 21 1HZ LYS 21 -10.270 0.151 -20.677 169 2HZ LYS 21 2HZ LYS 21 -8.981 0.944 -21.449 170 3HZ LYS 21 3HZ LYS 21 -10.294 1.838 -20.847 171 H ALA 22 H ALA 22 -4.180 1.606 -18.628 172 HA ALA 22 HA ALA 22 -4.433 -0.054 -20.906 173 1HB ALA 22 1HB ALA 22 -2.311 1.991 -20.209 174 2HB ALA 22 2HB ALA 22 -3.772 2.271 -21.158 175 3HB ALA 22 3HB ALA 22 -2.490 1.242 -21.795 176 H ALA 23 H ALA 23 -1.726 0.383 -18.635 177 HA ALA 23 HA ALA 23 -0.090 -1.692 -19.688 178 1HB ALA 23 1HB ALA 23 -0.009 -0.838 -16.801 179 2HB ALA 23 2HB ALA 23 0.534 0.260 -18.070 180 3HB ALA 23 3HB ALA 23 1.325 -1.301 -17.860 181 H PHE 24 H PHE 24 -2.584 -1.530 -17.217 182 HA PHE 24 HA PHE 24 -2.235 -4.069 -16.036 183 1HB PHE 24 2HB PHE 24 -3.833 -2.003 -15.468 184 2HB PHE 24 1HB PHE 24 -4.992 -2.967 -16.378 185 HD1 PHE 24 HD1 PHE 24 -4.398 -5.706 -15.717 186 HD2 PHE 24 HD2 PHE 24 -4.247 -2.246 -13.194 187 HE1 PHE 24 HE1 PHE 24 -4.771 -7.142 -13.736 188 HE2 PHE 24 HE2 PHE 24 -4.614 -3.677 -11.210 189 HZ PHE 24 HZ PHE 24 -4.885 -6.121 -11.484 190 H ASP 25 H ASP 25 -4.302 -2.995 -18.729 191 HA ASP 25 HA ASP 25 -5.576 -5.428 -19.285 192 1HB ASP 25 2HB ASP 25 -6.028 -3.072 -20.248 193 2HB ASP 25 1HB ASP 25 -4.812 -3.489 -21.455 194 H ILE 26 H ILE 26 -2.529 -4.131 -20.609 195 HA ILE 26 HA ILE 26 -2.102 -6.359 -22.363 196 HB ILE 26 HB ILE 26 0.193 -5.430 -22.636 197 1HG1 ILE 26 2HG1 ILE 26 -0.753 -3.310 -20.680 198 2HG1 ILE 26 1HG1 ILE 26 0.392 -4.585 -20.274 199 1HG2 ILE 26 1HG2 ILE 26 -2.034 -3.371 -22.744 200 2HG2 ILE 26 2HG2 ILE 26 -1.723 -4.597 -23.973 201 3HG2 ILE 26 3HG2 ILE 26 -0.536 -3.328 -23.676 202 1HD1 ILE 26 1HD1 ILE 26 1.060 -3.073 -22.718 203 2HD1 ILE 26 2HD1 ILE 26 2.097 -3.577 -21.384 204 3HD1 ILE 26 3HD1 ILE 26 1.106 -2.126 -21.231 205 H PHE 27 H PHE 27 -1.031 -5.564 -19.085 206 HA PHE 27 HA PHE 27 0.814 -7.769 -18.911 207 1HB PHE 27 2HB PHE 27 -0.406 -6.058 -16.730 208 2HB PHE 27 1HB PHE 27 0.893 -7.225 -16.493 209 HD1 PHE 27 HD1 PHE 27 2.147 -6.572 -19.345 210 HD2 PHE 27 HD2 PHE 27 0.993 -4.184 -15.961 211 HE1 PHE 27 HE1 PHE 27 3.790 -4.844 -20.006 212 HE2 PHE 27 HE2 PHE 27 2.643 -2.454 -16.630 213 HZ PHE 27 HZ PHE 27 4.039 -2.785 -18.649 214 H ILE 28 H ILE 28 -2.578 -7.253 -18.029 215 HA ILE 28 HA ILE 28 -2.682 -10.059 -17.104 216 HB ILE 28 HB ILE 28 -3.363 -8.079 -15.548 217 1HG1 ILE 28 2HG1 ILE 28 -5.069 -9.508 -14.492 218 2HG1 ILE 28 1HG1 ILE 28 -5.169 -10.473 -15.965 219 1HG2 ILE 28 1HG2 ILE 28 -5.446 -7.105 -15.782 220 2HG2 ILE 28 2HG2 ILE 28 -6.080 -8.434 -16.750 221 3HG2 ILE 28 3HG2 ILE 28 -4.983 -7.259 -17.478 222 1HD1 ILE 28 1HD1 ILE 28 -2.584 -10.049 -14.450 223 2HD1 ILE 28 2HD1 ILE 28 -2.896 -11.209 -15.740 224 3HD1 ILE 28 3HD1 ILE 28 -3.652 -11.423 -14.160 225 H GLN 29 H GLN 29 -2.600 -9.611 -19.798 226 HA GLN 29 HA GLN 29 -5.249 -9.550 -20.947 227 1HB GLN 29 2HB GLN 29 -3.280 -8.702 -22.178 228 2HB GLN 29 1HB GLN 29 -2.607 -10.332 -22.202 229 1HG GLN 29 2HG GLN 29 -4.443 -11.150 -23.534 230 2HG GLN 29 1HG GLN 29 -5.322 -9.630 -23.353 231 1HE2 GLN 29 1HE2 GLN 29 -4.191 -7.645 -24.328 232 2HE2 GLN 29 2HE2 GLN 29 -3.246 -7.880 -25.717 233 H ASP 30 H ASP 30 -2.747 -12.056 -20.470 234 HA ASP 30 HA ASP 30 -4.494 -14.140 -21.473 235 1HB ASP 30 2HB ASP 30 -1.731 -14.211 -20.255 236 2HB ASP 30 1HB ASP 30 -2.592 -15.649 -20.803 237 H ALA 31 H ALA 31 -4.448 -12.580 -18.521 238 HA ALA 31 HA ALA 31 -5.023 -15.023 -16.982 239 1HB ALA 31 1HB ALA 31 -5.120 -12.363 -15.664 240 2HB ALA 31 2HB ALA 31 -3.540 -12.917 -16.223 241 3HB ALA 31 3HB ALA 31 -4.465 -13.892 -15.081 242 H GLU 32 H GLU 32 -6.908 -15.158 -15.679 243 HA GLU 32 HA GLU 32 -9.189 -13.559 -16.694 244 1HB GLU 32 2HB GLU 32 -9.034 -16.491 -15.975 245 2HB GLU 32 1HB GLU 32 -10.567 -15.629 -16.111 246 1HG GLU 32 2HG GLU 32 -8.517 -15.578 -18.332 247 2HG GLU 32 1HG GLU 32 -9.728 -16.854 -18.218 248 H ASP 33 H ASP 33 -7.588 -12.791 -14.476 249 HA ASP 33 HA ASP 33 -9.524 -13.128 -12.261 250 1HB ASP 33 2HB ASP 33 -7.136 -14.224 -12.063 251 2HB ASP 33 1HB ASP 33 -6.635 -12.572 -11.702 252 H GLY 34 H GLY 34 -6.887 -11.048 -13.489 253 1HA GLY 34 2HA GLY 34 -7.279 -8.721 -14.006 254 2HA GLY 34 1HA GLY 34 -8.499 -8.686 -12.739 255 H CYS 35 H CYS 35 -5.208 -10.039 -12.598 256 HA CYS 35 HA CYS 35 -4.313 -7.838 -10.874 257 1HB CYS 35 2HB CYS 35 -3.930 -10.659 -9.898 258 2HB CYS 35 1HB CYS 35 -3.756 -9.151 -9.006 259 HG CYS 35 HG CYS 35 -6.137 -9.322 -8.381 260 H ILE 36 H ILE 36 -2.287 -7.297 -11.418 261 HA ILE 36 HA ILE 36 -0.805 -8.970 -13.265 262 HB ILE 36 HB ILE 36 0.747 -7.176 -13.477 263 1HG1 ILE 36 2HG1 ILE 36 0.052 -5.143 -11.735 264 2HG1 ILE 36 1HG1 ILE 36 -0.106 -6.579 -10.722 265 1HG2 ILE 36 1HG2 ILE 36 -1.934 -5.867 -12.952 266 2HG2 ILE 36 2HG2 ILE 36 -1.568 -6.805 -14.399 267 3HG2 ILE 36 3HG2 ILE 36 -0.679 -5.320 -14.061 268 1HD1 ILE 36 1HD1 ILE 36 2.170 -7.274 -11.283 269 2HD1 ILE 36 2HD1 ILE 36 2.201 -5.623 -10.673 270 3HD1 ILE 36 3HD1 ILE 36 2.335 -5.924 -12.405 271 H SER 37 H SER 37 1.620 -9.255 -12.864 272 HA SER 37 HA SER 37 1.907 -10.677 -10.334 273 1HB SER 37 2HB SER 37 2.744 -11.334 -12.803 274 2HB SER 37 1HB SER 37 4.187 -10.498 -12.234 275 HG SER 37 HG SER 37 4.071 -12.794 -11.740 276 H THR 38 H THR 38 2.459 -9.505 -8.622 277 HA THR 38 HA THR 38 3.669 -7.004 -8.537 278 HB THR 38 HB THR 38 4.261 -7.507 -6.194 279 HG1 THR 38 HG1 THR 38 3.371 -10.121 -6.843 280 1HG2 THR 38 1HG2 THR 38 1.567 -8.198 -7.301 281 2HG2 THR 38 2HG2 THR 38 2.050 -6.823 -6.308 282 3HG2 THR 38 3HG2 THR 38 1.862 -8.416 -5.576 283 H LYS 39 H LYS 39 5.172 -10.214 -8.447 284 HA LYS 39 HA LYS 39 7.832 -9.400 -7.988 285 1HB LYS 39 2HB LYS 39 8.486 -11.586 -8.882 286 2HB LYS 39 1HB LYS 39 7.094 -11.753 -7.814 287 1HG LYS 39 2HG LYS 39 5.722 -11.457 -10.054 288 2HG LYS 39 1HG LYS 39 7.226 -11.991 -10.803 289 1HD LYS 39 2HD LYS 39 6.398 -13.595 -8.470 290 2HD LYS 39 1HD LYS 39 5.293 -13.681 -9.842 291 1HE LYS 39 2HE LYS 39 6.801 -14.778 -11.159 292 2HE LYS 39 1HE LYS 39 8.172 -13.868 -10.522 293 1HZ LYS 39 1HZ LYS 39 8.235 -16.209 -9.876 294 2HZ LYS 39 2HZ LYS 39 6.742 -16.040 -9.083 295 3HZ LYS 39 3HZ LYS 39 8.106 -15.195 -8.523 296 H GLU 40 H GLU 40 5.873 -9.386 -10.889 297 HA GLU 40 HA GLU 40 8.210 -8.712 -12.547 298 1HB GLU 40 2HB GLU 40 5.361 -9.351 -13.349 299 2HB GLU 40 1HB GLU 40 6.690 -9.027 -14.461 300 1HG GLU 40 2HG GLU 40 7.929 -10.961 -13.518 301 2HG GLU 40 1HG GLU 40 6.559 -11.304 -12.462 302 H LEU 41 H LEU 41 6.755 -6.872 -10.547 303 HA LEU 41 HA LEU 41 5.258 -4.895 -11.806 304 1HB LEU 41 2HB LEU 41 6.464 -5.224 -9.309 305 2HB LEU 41 1HB LEU 41 7.149 -3.744 -9.936 306 HG LEU 41 HG LEU 41 5.235 -3.185 -8.600 307 1HD1 LEU 41 1HD1 LEU 41 5.446 -1.813 -10.586 308 2HD1 LEU 41 2HD1 LEU 41 3.730 -2.137 -10.324 309 3HD1 LEU 41 3HD1 LEU 41 4.618 -3.025 -11.564 310 1HD2 LEU 41 1HD2 LEU 41 4.002 -5.446 -10.112 311 2HD2 LEU 41 2HD2 LEU 41 2.949 -4.118 -9.625 312 3HD2 LEU 41 3HD2 LEU 41 3.851 -5.021 -8.408 313 H GLY 42 H GLY 42 8.627 -5.605 -12.245 314 1HA GLY 42 2HA GLY 42 9.762 -3.165 -12.885 315 2HA GLY 42 1HA GLY 42 10.214 -4.690 -13.634 316 H LYS 43 H LYS 43 7.563 -5.133 -14.858 317 HA LYS 43 HA LYS 43 7.981 -3.742 -17.314 318 1HB LYS 43 2HB LYS 43 5.911 -4.806 -18.066 319 2HB LYS 43 1HB LYS 43 6.911 -5.976 -17.206 320 1HG LYS 43 2HG LYS 43 5.571 -5.480 -15.129 321 2HG LYS 43 1HG LYS 43 4.502 -4.493 -16.120 322 1HD LYS 43 2HD LYS 43 3.373 -6.498 -16.244 323 2HD LYS 43 1HD LYS 43 4.457 -6.695 -17.620 324 1HE LYS 43 2HE LYS 43 6.096 -7.755 -15.926 325 2HE LYS 43 1HE LYS 43 4.698 -7.881 -14.859 326 1HZ LYS 43 1HZ LYS 43 4.859 -9.893 -16.075 327 2HZ LYS 43 2HZ LYS 43 5.022 -9.076 -17.555 328 3HZ LYS 43 3HZ LYS 43 3.543 -9.040 -16.718 329 H VAL 44 H VAL 44 6.119 -3.059 -14.465 330 HA VAL 44 HA VAL 44 4.544 -0.973 -15.780 331 HB VAL 44 HB VAL 44 4.537 -1.519 -12.824 332 1HG1 VAL 44 1HG1 VAL 44 2.467 -0.454 -12.882 333 2HG1 VAL 44 2HG1 VAL 44 2.196 -0.848 -14.580 334 3HG1 VAL 44 3HG1 VAL 44 3.344 0.413 -14.139 335 1HG2 VAL 44 1HG2 VAL 44 4.274 -3.694 -14.118 336 2HG2 VAL 44 2HG2 VAL 44 2.826 -2.996 -14.845 337 3HG2 VAL 44 3HG2 VAL 44 2.896 -3.261 -13.104 338 H MET 45 H MET 45 6.988 -1.375 -13.245 339 HA MET 45 HA MET 45 7.249 1.239 -12.363 340 1HB MET 45 2HB MET 45 9.291 -0.960 -12.680 341 2HB MET 45 1HB MET 45 9.706 0.604 -11.981 342 1HG MET 45 2HG MET 45 7.296 -0.841 -10.936 343 2HG MET 45 1HG MET 45 8.895 -1.388 -10.433 344 1HE MET 45 1HE MET 45 6.396 1.783 -8.783 345 2HE MET 45 2HE MET 45 6.069 0.475 -9.917 346 3HE MET 45 3HE MET 45 6.578 2.050 -10.522 347 H ARG 46 H ARG 46 8.816 -0.327 -15.150 348 HA ARG 46 HA ARG 46 10.368 1.924 -15.932 349 1HB ARG 46 2HB ARG 46 10.641 0.782 -18.077 350 2HB ARG 46 1HB ARG 46 10.830 -0.361 -16.749 351 1HG ARG 46 2HG ARG 46 8.353 -0.915 -17.053 352 2HG ARG 46 1HG ARG 46 8.434 -0.006 -18.561 353 1HD ARG 46 2HD ARG 46 10.644 -1.638 -18.747 354 2HD ARG 46 1HD ARG 46 9.490 -2.674 -17.919 355 HE ARG 46 HE ARG 46 8.214 -2.744 -19.865 356 1HH1 ARG 46 2HH1 ARG 46 10.635 -0.233 -20.089 357 2HH1 ARG 46 1HH1 ARG 46 10.346 0.067 -21.768 358 1HH2 ARG 46 1HH2 ARG 46 7.856 -2.329 -22.066 359 2HH2 ARG 46 2HH2 ARG 46 8.780 -1.113 -22.883 360 H MET 47 H MET 47 7.045 0.982 -16.575 361 HA MET 47 HA MET 47 6.622 2.966 -18.641 362 1HB MET 47 2HB MET 47 4.783 1.115 -17.120 363 2HB MET 47 1HB MET 47 4.175 2.320 -18.255 364 1HG MET 47 2HG MET 47 6.349 0.398 -19.073 365 2HG MET 47 1HG MET 47 4.653 -0.077 -19.146 366 1HE MET 47 1HE MET 47 7.487 1.647 -20.186 367 2HE MET 47 2HE MET 47 7.090 2.934 -21.322 368 3HE MET 47 3HE MET 47 7.213 1.272 -21.893 369 H LEU 48 H LEU 48 6.211 2.736 -15.168 370 HA LEU 48 HA LEU 48 4.560 5.078 -14.892 371 1HB LEU 48 2HB LEU 48 5.995 3.226 -13.048 372 2HB LEU 48 1HB LEU 48 5.523 4.796 -12.439 373 HG LEU 48 HG LEU 48 3.278 4.266 -12.438 374 1HD1 LEU 48 1HD1 LEU 48 2.381 2.346 -13.904 375 2HD1 LEU 48 2HD1 LEU 48 3.936 2.412 -14.732 376 3HD1 LEU 48 3HD1 LEU 48 2.875 3.820 -14.736 377 1HD2 LEU 48 1HD2 LEU 48 3.200 1.608 -12.055 378 2HD2 LEU 48 2HD2 LEU 48 3.910 2.702 -10.866 379 3HD2 LEU 48 3HD2 LEU 48 4.951 1.832 -11.993 380 H GLY 49 H GLY 49 7.986 4.410 -15.008 381 1HA GLY 49 2HA GLY 49 9.442 6.269 -15.693 382 2HA GLY 49 1HA GLY 49 8.550 7.288 -14.570 383 H GLN 50 H GLN 50 9.507 3.988 -13.804 384 HA GLN 50 HA GLN 50 11.640 4.993 -12.020 385 1HB GLN 50 2HB GLN 50 9.689 2.831 -11.206 386 2HB GLN 50 1HB GLN 50 10.886 3.639 -10.199 387 1HG GLN 50 2HG GLN 50 8.556 5.075 -11.503 388 2HG GLN 50 1HG GLN 50 8.516 4.448 -9.857 389 1HE2 GLN 50 1HE2 GLN 50 8.614 7.329 -11.079 390 2HE2 GLN 50 2HE2 GLN 50 9.842 8.081 -10.183 391 H ASN 51 H ASN 51 13.143 3.286 -11.325 392 HA ASN 51 HA ASN 51 13.150 0.824 -12.906 393 1HB ASN 51 2HB ASN 51 14.394 2.811 -14.115 394 2HB ASN 51 1HB ASN 51 15.673 2.445 -12.958 395 1HD2 ASN 51 1HD2 ASN 51 15.326 1.917 -16.018 396 2HD2 ASN 51 2HD2 ASN 51 15.737 0.278 -16.174 397 HA PRO 52 HA PRO 52 15.033 0.466 -8.658 398 1HB PRO 52 2HB PRO 52 13.012 -0.920 -7.449 399 2HB PRO 52 1HB PRO 52 13.085 0.847 -7.510 400 1HG PRO 52 2HG PRO 52 11.327 -1.009 -8.978 401 2HG PRO 52 1HG PRO 52 11.080 0.696 -8.577 402 1HD PRO 52 2HD PRO 52 11.908 -0.381 -11.097 403 2HD PRO 52 1HD PRO 52 11.793 1.335 -10.647 404 H THR 53 H THR 53 14.618 -1.893 -7.254 405 HA THR 53 HA THR 53 15.534 -3.970 -9.157 406 HB THR 53 HB THR 53 16.969 -4.806 -7.507 407 HG1 THR 53 HG1 THR 53 16.478 -4.820 -5.447 408 1HG2 THR 53 1HG2 THR 53 18.131 -2.892 -6.475 409 2HG2 THR 53 2HG2 THR 53 16.762 -1.854 -6.872 410 3HG2 THR 53 3HG2 THR 53 17.729 -2.570 -8.162 411 HA PRO 54 HA PRO 54 12.162 -6.561 -7.953 412 1HB PRO 54 2HB PRO 54 13.289 -8.997 -7.390 413 2HB PRO 54 1HB PRO 54 13.092 -8.349 -9.026 414 1HG PRO 54 2HG PRO 54 15.542 -8.524 -7.349 415 2HG PRO 54 1HG PRO 54 15.369 -8.615 -9.108 416 1HD PRO 54 2HD PRO 54 16.245 -6.371 -7.703 417 2HD PRO 54 1HD PRO 54 15.602 -6.342 -9.361 418 H GLU 55 H GLU 55 14.818 -6.452 -5.663 419 HA GLU 55 HA GLU 55 13.261 -7.481 -3.438 420 1HB GLU 55 2HB GLU 55 16.002 -6.211 -3.625 421 2HB GLU 55 1HB GLU 55 15.271 -6.707 -2.099 422 1HG GLU 55 2HG GLU 55 15.450 -8.956 -2.580 423 2HG GLU 55 1HG GLU 55 15.298 -8.704 -4.319 424 H GLU 56 H GLU 56 14.283 -4.353 -4.734 425 HA GLU 56 HA GLU 56 13.324 -2.803 -2.517 426 1HB GLU 56 2HB GLU 56 15.096 -2.131 -4.272 427 2HB GLU 56 1HB GLU 56 13.722 -1.732 -5.302 428 1HG GLU 56 2HG GLU 56 14.036 0.307 -4.245 429 2HG GLU 56 1HG GLU 56 12.896 -0.445 -3.129 430 H LEU 57 H LEU 57 12.050 -3.525 -5.784 431 HA LEU 57 HA LEU 57 9.719 -1.957 -5.569 432 1HB LEU 57 2HB LEU 57 8.914 -3.071 -7.475 433 2HB LEU 57 1HB LEU 57 10.644 -2.960 -7.673 434 HG LEU 57 HG LEU 57 10.621 -5.407 -6.696 435 1HD1 LEU 57 1HD1 LEU 57 8.310 -6.255 -7.963 436 2HD1 LEU 57 2HD1 LEU 57 7.780 -4.788 -7.140 437 3HD1 LEU 57 3HD1 LEU 57 8.511 -6.102 -6.219 438 1HD2 LEU 57 1HD2 LEU 57 11.321 -4.736 -8.982 439 2HD2 LEU 57 2HD2 LEU 57 9.633 -4.752 -9.493 440 3HD2 LEU 57 3HD2 LEU 57 10.419 -6.253 -9.003 441 H GLN 58 H GLN 58 10.441 -5.226 -4.446 442 HA GLN 58 HA GLN 58 7.804 -6.088 -3.929 443 1HB GLN 58 2HB GLN 58 10.506 -6.909 -3.093 444 2HB GLN 58 1HB GLN 58 9.237 -7.284 -1.928 445 1HG GLN 58 2HG GLN 58 8.956 -7.935 -4.868 446 2HG GLN 58 1HG GLN 58 9.691 -9.059 -3.724 447 1HE2 GLN 58 1HE2 GLN 58 6.650 -7.740 -4.843 448 2HE2 GLN 58 2HE2 GLN 58 5.655 -8.616 -3.781 449 H GLU 59 H GLU 59 9.985 -4.013 -2.086 450 HA GLU 59 HA GLU 59 8.617 -4.042 0.386 451 1HB GLU 59 2HB GLU 59 10.448 -2.047 -0.927 452 2HB GLU 59 1HB GLU 59 9.681 -1.694 0.620 453 1HG GLU 59 2HG GLU 59 10.857 -3.344 1.741 454 2HG GLU 59 1HG GLU 59 11.049 -4.337 0.296 455 H MET 60 H MET 60 8.370 -1.729 -2.347 456 HA MET 60 HA MET 60 6.290 -0.202 -1.163 457 1HB MET 60 2HB MET 60 5.931 0.767 -3.385 458 2HB MET 60 1HB MET 60 7.649 0.702 -3.001 459 1HG MET 60 2HG MET 60 8.040 -1.080 -4.486 460 2HG MET 60 1HG MET 60 6.338 -1.541 -4.530 461 1HE MET 60 1HE MET 60 8.516 1.788 -6.742 462 2HE MET 60 2HE MET 60 9.080 0.127 -6.576 463 3HE MET 60 3HE MET 60 8.892 1.133 -5.142 464 H ILE 61 H ILE 61 6.305 -3.151 -3.038 465 HA ILE 61 HA ILE 61 3.531 -3.173 -3.712 466 HB ILE 61 HB ILE 61 5.573 -5.396 -3.484 467 1HG1 ILE 61 2HG1 ILE 61 5.955 -3.821 -5.320 468 2HG1 ILE 61 1HG1 ILE 61 5.386 -5.359 -5.968 469 1HG2 ILE 61 1HG2 ILE 61 3.801 -6.687 -4.817 470 2HG2 ILE 61 2HG2 ILE 61 2.656 -5.461 -4.279 471 3HG2 ILE 61 3HG2 ILE 61 3.486 -6.472 -3.098 472 1HD1 ILE 61 1HD1 ILE 61 3.080 -4.428 -6.079 473 2HD1 ILE 61 2HD1 ILE 61 4.214 -3.506 -7.063 474 3HD1 ILE 61 3HD1 ILE 61 3.697 -2.882 -5.499 475 H ASP 62 H ASP 62 5.425 -4.688 -1.095 476 HA ASP 62 HA ASP 62 3.281 -5.977 0.198 477 1HB ASP 62 2HB ASP 62 6.011 -5.094 1.016 478 2HB ASP 62 1HB ASP 62 4.867 -5.514 2.290 479 H GLU 63 H GLU 63 4.464 -2.660 0.361 480 HA GLU 63 HA GLU 63 2.912 -1.878 2.635 481 1HB GLU 63 2HB GLU 63 4.278 -0.307 0.446 482 2HB GLU 63 1HB GLU 63 3.378 0.466 1.751 483 1HG GLU 63 2HG GLU 63 4.836 -0.438 3.421 484 2HG GLU 63 1HG GLU 63 5.589 -1.536 2.265 485 H VAL 64 H VAL 64 2.474 -1.309 -0.884 486 HA VAL 64 HA VAL 64 -0.080 -0.072 -0.577 487 HB VAL 64 HB VAL 64 1.329 0.308 -2.569 488 1HG1 VAL 64 1HG1 VAL 64 1.631 -1.374 -4.253 489 2HG1 VAL 64 2HG1 VAL 64 0.540 -2.485 -3.427 490 3HG1 VAL 64 3HG1 VAL 64 2.107 -2.100 -2.719 491 1HG2 VAL 64 1HG2 VAL 64 -0.466 0.475 -4.072 492 2HG2 VAL 64 2HG2 VAL 64 -1.284 0.398 -2.511 493 3HG2 VAL 64 3HG2 VAL 64 -1.187 -1.040 -3.527 494 H ASP 65 H ASP 65 0.943 -3.409 -1.206 495 HA ASP 65 HA ASP 65 -1.722 -4.381 -1.677 496 1HB ASP 65 2HB ASP 65 0.695 -5.428 -2.245 497 2HB ASP 65 1HB ASP 65 0.381 -6.262 -0.727 498 H GLU 66 H GLU 66 -3.184 -4.267 -0.115 499 HA GLU 66 HA GLU 66 -2.531 -4.322 2.683 500 1HB GLU 66 2HB GLU 66 -5.272 -4.701 1.460 501 2HB GLU 66 1HB GLU 66 -4.890 -4.141 3.087 502 1HG GLU 66 2HG GLU 66 -4.154 -2.679 0.533 503 2HG GLU 66 1HG GLU 66 -5.514 -2.267 1.575 504 H ASP 67 H ASP 67 -3.976 -6.617 0.402 505 HA ASP 67 HA ASP 67 -4.297 -8.673 2.413 506 1HB ASP 67 2HB ASP 67 -4.774 -10.133 0.353 507 2HB ASP 67 1HB ASP 67 -5.900 -8.821 0.686 508 H GLY 68 H GLY 68 -2.003 -7.951 -0.186 509 1HA GLY 68 2HA GLY 68 0.181 -8.647 -0.478 510 2HA GLY 68 1HA GLY 68 0.084 -9.457 1.083 511 H SER 69 H SER 69 -1.818 -9.848 -1.898 512 HA SER 69 HA SER 69 -1.587 -12.740 -1.712 513 1HB SER 69 2HB SER 69 -3.120 -12.754 -3.644 514 2HB SER 69 1HB SER 69 -3.738 -11.755 -2.332 515 HG SER 69 HG SER 69 -3.701 -10.145 -3.671 516 H GLY 70 H GLY 70 0.413 -10.400 -2.997 517 1HA GLY 70 2HA GLY 70 2.324 -10.670 -4.284 518 2HA GLY 70 1HA GLY 70 1.826 -12.322 -4.632 519 H THR 71 H THR 71 -0.527 -9.838 -5.117 520 HA THR 71 HA THR 71 0.081 -9.576 -7.973 521 HB THR 71 HB THR 71 -2.128 -10.224 -8.681 522 HG1 THR 71 HG1 THR 71 -2.657 -10.648 -5.922 523 1HG2 THR 71 1HG2 THR 71 -2.143 -12.599 -8.089 524 2HG2 THR 71 2HG2 THR 71 -1.093 -12.279 -6.707 525 3HG2 THR 71 3HG2 THR 71 -0.487 -12.053 -8.348 526 H VAL 72 H VAL 72 -0.518 -7.618 -8.806 527 HA VAL 72 HA VAL 72 -1.585 -5.685 -6.872 528 HB VAL 72 HB VAL 72 -0.534 -5.048 -9.625 529 1HG1 VAL 72 1HG1 VAL 72 -0.576 -3.389 -7.095 530 2HG1 VAL 72 2HG1 VAL 72 -1.890 -3.372 -8.271 531 3HG1 VAL 72 3HG1 VAL 72 -0.277 -2.836 -8.742 532 1HG2 VAL 72 1HG2 VAL 72 1.600 -4.473 -8.343 533 2HG2 VAL 72 2HG2 VAL 72 1.284 -6.195 -8.566 534 3HG2 VAL 72 3HG2 VAL 72 0.946 -5.429 -7.012 535 H ASP 73 H ASP 73 -3.625 -5.161 -6.884 536 HA ASP 73 HA ASP 73 -5.340 -5.791 -9.171 537 1HB ASP 73 2HB ASP 73 -5.903 -4.785 -6.371 538 2HB ASP 73 1HB ASP 73 -7.154 -4.933 -7.604 539 H PHE 74 H PHE 74 -6.986 -4.010 -9.778 540 HA PHE 74 HA PHE 74 -5.580 -1.785 -10.764 541 1HB PHE 74 2HB PHE 74 -7.856 -2.709 -11.550 542 2HB PHE 74 1HB PHE 74 -8.550 -1.674 -10.301 543 HD1 PHE 74 HD1 PHE 74 -5.610 -1.215 -12.586 544 HD2 PHE 74 HD2 PHE 74 -9.477 0.201 -11.359 545 HE1 PHE 74 HE1 PHE 74 -5.386 0.731 -14.106 546 HE2 PHE 74 HE2 PHE 74 -9.241 2.153 -12.874 547 HZ PHE 74 HZ PHE 74 -7.198 2.413 -14.245 548 H ASP 75 H ASP 75 -7.441 -2.169 -7.767 549 HA ASP 75 HA ASP 75 -7.416 0.595 -7.051 550 1HB ASP 75 2HB ASP 75 -7.987 -0.153 -4.782 551 2HB ASP 75 1HB ASP 75 -8.975 -0.985 -5.979 552 H GLU 76 H GLU 76 -5.218 -2.119 -6.447 553 HA GLU 76 HA GLU 76 -3.423 -0.637 -4.748 554 1HB GLU 76 2HB GLU 76 -2.897 -3.178 -6.318 555 2HB GLU 76 1HB GLU 76 -1.941 -2.560 -4.972 556 1HG GLU 76 2HG GLU 76 -3.750 -2.905 -3.423 557 2HG GLU 76 1HG GLU 76 -4.879 -3.248 -4.727 558 H PHE 77 H PHE 77 -3.758 -1.270 -8.174 559 HA PHE 77 HA PHE 77 -1.195 -0.485 -9.070 560 1HB PHE 77 2HB PHE 77 -3.417 -1.558 -10.232 561 2HB PHE 77 1HB PHE 77 -3.523 0.098 -10.802 562 HD1 PHE 77 HD1 PHE 77 -3.265 -0.821 -13.071 563 HD2 PHE 77 HD2 PHE 77 -0.134 -1.190 -10.138 564 HE1 PHE 77 HE1 PHE 77 -1.638 -1.333 -14.860 565 HE2 PHE 77 HE2 PHE 77 1.482 -1.691 -11.937 566 HZ PHE 77 HZ PHE 77 0.732 -1.774 -14.298 567 H LEU 78 H LEU 78 -4.281 1.301 -8.964 568 HA LEU 78 HA LEU 78 -3.174 3.793 -9.786 569 1HB LEU 78 2HB LEU 78 -5.763 2.909 -8.595 570 2HB LEU 78 1HB LEU 78 -5.377 4.619 -8.585 571 HG LEU 78 HG LEU 78 -5.572 4.806 -10.893 572 1HD1 LEU 78 1HD1 LEU 78 -5.284 1.805 -11.205 573 2HD1 LEU 78 2HD1 LEU 78 -3.936 2.933 -11.349 574 3HD1 LEU 78 3HD1 LEU 78 -5.280 3.017 -12.487 575 1HD2 LEU 78 1HD2 LEU 78 -7.758 4.263 -10.011 576 2HD2 LEU 78 2HD2 LEU 78 -7.399 2.538 -10.058 577 3HD2 LEU 78 3HD2 LEU 78 -7.579 3.442 -11.561 578 H VAL 79 H VAL 79 -3.751 2.304 -6.624 579 HA VAL 79 HA VAL 79 -3.309 4.582 -5.013 580 HB VAL 79 HB VAL 79 -3.138 1.622 -4.568 581 1HG1 VAL 79 1HG1 VAL 79 -2.127 3.736 -2.637 582 2HG1 VAL 79 2HG1 VAL 79 -1.187 2.424 -3.355 583 3HG1 VAL 79 3HG1 VAL 79 -2.468 2.061 -2.198 584 1HG2 VAL 79 1HG2 VAL 79 -5.239 3.131 -4.432 585 2HG2 VAL 79 2HG2 VAL 79 -4.542 3.733 -2.928 586 3HG2 VAL 79 3HG2 VAL 79 -4.942 2.024 -3.092 587 H MET 80 H MET 80 -1.062 2.014 -6.058 588 HA MET 80 HA MET 80 1.298 2.850 -4.928 589 1HB MET 80 2HB MET 80 0.575 1.018 -6.907 590 2HB MET 80 1HB MET 80 1.741 2.080 -7.695 591 1HG MET 80 2HG MET 80 3.414 1.628 -6.071 592 2HG MET 80 1HG MET 80 2.247 0.916 -4.956 593 1HE MET 80 1HE MET 80 4.605 -0.493 -8.314 594 2HE MET 80 2HE MET 80 3.732 1.034 -8.218 595 3HE MET 80 3HE MET 80 3.027 -0.322 -9.093 596 H MET 81 H MET 81 -0.391 4.310 -7.656 597 HA MET 81 HA MET 81 1.726 5.888 -8.682 598 1HB MET 81 2HB MET 81 -0.529 5.454 -9.776 599 2HB MET 81 1HB MET 81 -1.196 6.662 -8.681 600 1HG MET 81 2HG MET 81 1.002 7.974 -9.666 601 2HG MET 81 1HG MET 81 0.505 7.021 -11.063 602 1HE MET 81 1HE MET 81 -2.334 6.508 -10.545 603 2HE MET 81 2HE MET 81 -2.091 7.197 -12.147 604 3HE MET 81 3HE MET 81 -3.352 7.842 -11.101 605 H VAL 82 H VAL 82 -0.977 6.821 -6.528 606 HA VAL 82 HA VAL 82 0.105 9.374 -5.884 607 HB VAL 82 HB VAL 82 -1.539 9.343 -3.988 608 1HG1 VAL 82 1HG1 VAL 82 -3.532 9.296 -5.464 609 2HG1 VAL 82 2HG1 VAL 82 -2.571 8.508 -6.715 610 3HG1 VAL 82 3HG1 VAL 82 -2.184 10.154 -6.212 611 1HG2 VAL 82 1HG2 VAL 82 -3.070 7.471 -3.769 612 2HG2 VAL 82 2HG2 VAL 82 -1.424 6.858 -3.618 613 3HG2 VAL 82 3HG2 VAL 82 -2.313 6.639 -5.127 614 H ARG 83 H ARG 83 0.569 6.167 -4.552 615 HA ARG 83 HA ARG 83 1.647 6.809 -2.034 616 1HB ARG 83 2HB ARG 83 2.176 4.495 -3.906 617 2HB ARG 83 1HB ARG 83 2.908 4.613 -2.308 618 1HG ARG 83 2HG ARG 83 0.358 5.076 -1.612 619 2HG ARG 83 1HG ARG 83 0.068 4.110 -3.060 620 1HD ARG 83 2HD ARG 83 0.833 2.205 -2.097 621 2HD ARG 83 1HD ARG 83 2.167 3.030 -1.298 622 HE ARG 83 HE ARG 83 -0.443 2.472 -0.181 623 1HH1 ARG 83 2HH1 ARG 83 2.382 4.526 -0.035 624 2HH1 ARG 83 1HH1 ARG 83 2.117 4.981 1.613 625 1HH2 ARG 83 1HH2 ARG 83 -0.766 3.086 1.977 626 2HH2 ARG 83 2HH2 ARG 83 0.341 4.170 2.749 627 H CYS 84 H CYS 84 3.032 6.940 -5.260 628 HA CYS 84 HA CYS 84 5.761 7.247 -4.336 629 1HB CYS 84 2HB CYS 84 4.439 7.486 -7.040 630 2HB CYS 84 1HB CYS 84 6.136 7.892 -6.786 631 HG CYS 84 HG CYS 84 5.923 5.328 -7.434 632 H MET 85 H MET 85 3.216 9.371 -5.657 633 HA MET 85 HA MET 85 4.744 11.757 -5.709 634 1HB MET 85 2HB MET 85 1.835 11.100 -5.766 635 2HB MET 85 1HB MET 85 2.286 12.753 -5.350 636 1HG MET 85 2HG MET 85 2.275 13.005 -7.628 637 2HG MET 85 1HG MET 85 3.915 12.377 -7.470 638 1HE MET 85 1HE MET 85 4.516 10.997 -9.444 639 2HE MET 85 2HE MET 85 3.289 12.082 -10.093 640 3HE MET 85 3HE MET 85 3.274 10.378 -10.540 641 H LYS 86 H LYS 86 2.248 10.758 -3.351 642 HA LYS 86 HA LYS 86 3.347 12.636 -1.383 643 1HB LYS 86 2HB LYS 86 0.761 11.892 -1.974 644 2HB LYS 86 1HB LYS 86 1.113 10.911 -0.551 645 1HG LYS 86 2HG LYS 86 2.179 13.378 0.125 646 2HG LYS 86 1HG LYS 86 0.719 13.811 -0.765 647 1HD LYS 86 2HD LYS 86 -0.659 12.993 0.850 648 2HD LYS 86 1HD LYS 86 0.367 11.588 1.146 649 1HE LYS 86 2HE LYS 86 1.956 13.037 2.393 650 2HE LYS 86 1HE LYS 86 0.874 14.408 2.145 651 1HZ LYS 86 1HZ LYS 86 0.195 11.895 3.578 652 2HZ LYS 86 2HZ LYS 86 -0.863 13.201 3.322 653 3HZ LYS 86 3HZ LYS 86 0.513 13.396 4.301 654 H ASP 87 H ASP 87 3.045 11.551 1.000 655 HA ASP 87 HA ASP 87 3.996 10.155 2.550 656 1HB ASP 87 2HB ASP 87 2.430 8.520 1.424 657 2HB ASP 87 1HB ASP 87 3.792 8.000 0.433 658 H ASP 88 H ASP 88 5.943 11.435 2.271 659 HA ASP 88 HA ASP 88 8.166 9.803 1.202 660 1HB ASP 88 2HB ASP 88 9.286 12.034 0.642 661 2HB ASP 88 1HB ASP 88 7.982 11.513 -0.421 662 H SER 89 HN SER 89 7.124 10.014 3.900 663 HA SER 89 HA SER 89 9.605 10.599 5.271 664 1HB SER 89 2HB SER 89 8.376 12.826 5.134 665 2HB SER 89 1HB SER 89 7.143 12.107 6.166 666 HG SER 89 HG SER 89 8.618 13.092 7.494 Start of MODEL 31 1 1H MET 1 1H MET 1 -7.924 1.315 8.580 2 2H MET 1 2H MET 1 -8.242 -0.112 7.714 3 3H MET 1 3H MET 1 -9.190 0.296 9.063 4 HA MET 1 HA MET 1 -10.431 0.771 7.083 5 1HB MET 1 2HB MET 1 -9.460 2.939 8.871 6 2HB MET 1 1HB MET 1 -10.298 3.456 7.409 7 1HG MET 1 2HG MET 1 -12.301 2.476 8.042 8 2HG MET 1 1HG MET 1 -11.509 1.248 9.028 9 1HE MET 1 1HE MET 1 -13.746 4.590 9.842 10 2HE MET 1 2HE MET 1 -12.780 4.446 8.375 11 3HE MET 1 3HE MET 1 -12.291 5.574 9.636 12 H ASN 2 H ASN 2 -7.720 3.112 7.170 13 HA ASN 2 HA ASN 2 -6.491 4.098 5.501 14 1HB ASN 2 2HB ASN 2 -6.714 1.238 4.689 15 2HB ASN 2 1HB ASN 2 -6.102 2.374 3.488 16 1HD2 ASN 2 1HD2 ASN 2 -5.642 2.218 7.075 17 2HD2 ASN 2 2HD2 ASN 2 -3.948 2.215 6.994 18 H ASP 3 H ASP 3 -8.913 5.067 5.414 19 HA ASP 3 HA ASP 3 -10.111 4.719 2.774 20 1HB ASP 3 2HB ASP 3 -10.877 6.411 5.158 21 2HB ASP 3 1HB ASP 3 -11.747 6.442 3.623 22 H ILE 4 H ILE 4 -7.786 6.780 4.261 23 HA ILE 4 HA ILE 4 -8.201 9.187 2.883 24 HB ILE 4 HB ILE 4 -5.930 9.779 3.370 25 1HG1 ILE 4 2HG1 ILE 4 -4.969 7.536 2.582 26 2HG1 ILE 4 1HG1 ILE 4 -4.203 8.258 3.989 27 1HG2 ILE 4 1HG2 ILE 4 -7.017 8.027 5.592 28 2HG2 ILE 4 2HG2 ILE 4 -7.487 9.696 5.274 29 3HG2 ILE 4 3HG2 ILE 4 -5.839 9.324 5.780 30 1HD1 ILE 4 1HD1 ILE 4 -5.945 6.788 5.324 31 2HD1 ILE 4 2HD1 ILE 4 -4.465 6.061 4.704 32 3HD1 ILE 4 3HD1 ILE 4 -5.982 5.848 3.833 33 H TYR 5 H TYR 5 -6.675 6.198 1.849 34 HA TYR 5 HA TYR 5 -5.527 7.256 -0.559 35 1HB TYR 5 2HB TYR 5 -6.207 4.410 0.220 36 2HB TYR 5 1HB TYR 5 -5.282 4.868 -1.210 37 HD1 TYR 5 HD1 TYR 5 -3.134 6.233 -0.880 38 HD2 TYR 5 HD2 TYR 5 -5.161 4.222 2.330 39 HE1 TYR 5 HE1 TYR 5 -1.075 6.351 0.495 40 HE2 TYR 5 HE2 TYR 5 -3.104 4.342 3.702 41 HH TYR 5 HH TYR 5 -0.252 4.665 2.715 42 H LYS 6 H LYS 6 -8.642 5.863 0.322 43 HA LYS 6 HA LYS 6 -9.648 5.332 -2.261 44 1HB LYS 6 2HB LYS 6 -10.847 5.786 0.427 45 2HB LYS 6 1HB LYS 6 -11.910 5.971 -0.967 46 1HG LYS 6 2HG LYS 6 -12.133 3.694 -0.565 47 2HG LYS 6 1HG LYS 6 -10.800 3.691 -1.720 48 1HD LYS 6 2HD LYS 6 -9.223 3.772 0.275 49 2HD LYS 6 1HD LYS 6 -10.628 3.463 1.294 50 1HE LYS 6 2HE LYS 6 -10.333 1.649 -1.029 51 2HE LYS 6 1HE LYS 6 -9.087 1.495 0.208 52 1HZ LYS 6 1HZ LYS 6 -12.010 1.436 0.734 53 2HZ LYS 6 2HZ LYS 6 -10.772 1.180 1.871 54 3HZ LYS 6 3HZ LYS 6 -11.022 0.063 0.615 55 H ALA 7 H ALA 7 -9.447 8.308 -0.372 56 HA ALA 7 HA ALA 7 -11.142 9.879 -2.048 57 1HB ALA 7 1HB ALA 7 -10.445 10.451 0.322 58 2HB ALA 7 2HB ALA 7 -10.324 11.773 -0.841 59 3HB ALA 7 3HB ALA 7 -8.873 10.905 -0.338 60 H ALA 8 H ALA 8 -7.723 9.019 -2.121 61 HA ALA 8 HA ALA 8 -6.901 10.995 -4.013 62 1HB ALA 8 1HB ALA 8 -5.498 8.378 -3.932 63 2HB ALA 8 2HB ALA 8 -5.527 9.314 -2.437 64 3HB ALA 8 3HB ALA 8 -4.837 10.013 -3.903 65 H VAL 9 H VAL 9 -7.858 7.577 -4.292 66 HA VAL 9 HA VAL 9 -7.564 7.465 -7.129 67 HB VAL 9 HB VAL 9 -7.589 5.494 -5.541 68 1HG1 VAL 9 1HG1 VAL 9 -9.505 6.004 -4.189 69 2HG1 VAL 9 2HG1 VAL 9 -9.883 4.542 -5.100 70 3HG1 VAL 9 3HG1 VAL 9 -10.556 6.093 -5.602 71 1HG2 VAL 9 1HG2 VAL 9 -8.897 4.049 -7.161 72 2HG2 VAL 9 2HG2 VAL 9 -7.696 5.095 -7.919 73 3HG2 VAL 9 3HG2 VAL 9 -9.404 5.532 -7.971 74 H GLU 10 H GLU 10 -10.085 8.547 -4.980 75 HA GLU 10 HA GLU 10 -12.155 8.567 -7.011 76 1HB GLU 10 2HB GLU 10 -11.976 9.323 -4.128 77 2HB GLU 10 1HB GLU 10 -13.254 10.048 -5.103 78 1HG GLU 10 2HG GLU 10 -14.208 7.948 -5.628 79 2HG GLU 10 1HG GLU 10 -12.756 7.073 -5.145 80 H GLN 11 H GLN 11 -9.602 10.694 -6.014 81 HA GLN 11 HA GLN 11 -10.897 12.919 -7.478 82 1HB GLN 11 2HB GLN 11 -9.878 14.491 -6.056 83 2HB GLN 11 1HB GLN 11 -10.435 13.219 -4.971 84 1HG GLN 11 2HG GLN 11 -8.003 12.238 -5.427 85 2HG GLN 11 1HG GLN 11 -7.642 13.923 -5.794 86 1HE2 GLN 11 1HE2 GLN 11 -9.594 15.010 -3.805 87 2HE2 GLN 11 2HE2 GLN 11 -8.919 14.702 -2.280 88 H LEU 12 H LEU 12 -8.850 10.632 -8.254 89 HA LEU 12 HA LEU 12 -6.567 12.200 -9.134 90 1HB LEU 12 2HB LEU 12 -6.038 10.021 -10.408 91 2HB LEU 12 1HB LEU 12 -5.895 10.044 -8.667 92 HG LEU 12 HG LEU 12 -7.989 8.835 -8.440 93 1HD1 LEU 12 1HD1 LEU 12 -9.354 9.623 -10.203 94 2HD1 LEU 12 2HD1 LEU 12 -9.018 7.949 -10.640 95 3HD1 LEU 12 3HD1 LEU 12 -8.135 9.259 -11.425 96 1HD2 LEU 12 1HD2 LEU 12 -7.316 6.725 -9.545 97 2HD2 LEU 12 2HD2 LEU 12 -5.932 7.534 -8.812 98 3HD2 LEU 12 3HD2 LEU 12 -6.184 7.622 -10.556 99 H THR 13 H THR 13 -5.900 11.753 -11.558 100 HA THR 13 HA THR 13 -8.088 12.841 -13.178 101 HB THR 13 HB THR 13 -5.958 12.790 -14.867 102 HG1 THR 13 HG1 THR 13 -4.481 12.010 -13.449 103 1HG2 THR 13 1HG2 THR 13 -7.047 14.758 -12.920 104 2HG2 THR 13 2HG2 THR 13 -6.932 14.852 -14.677 105 3HG2 THR 13 3HG2 THR 13 -5.507 15.153 -13.684 106 H ASP 14 H ASP 14 -8.261 12.085 -15.451 107 HA ASP 14 HA ASP 14 -8.695 9.247 -15.533 108 1HB ASP 14 2HB ASP 14 -8.819 11.367 -17.693 109 2HB ASP 14 1HB ASP 14 -9.273 9.680 -17.938 110 H GLU 15 H GLU 15 -6.194 11.455 -16.582 111 HA GLU 15 HA GLU 15 -4.817 9.752 -18.380 112 1HB GLU 15 2HB GLU 15 -2.990 11.297 -18.198 113 2HB GLU 15 1HB GLU 15 -4.478 12.237 -18.136 114 1HG GLU 15 2HG GLU 15 -4.242 11.929 -15.538 115 2HG GLU 15 1HG GLU 15 -2.552 11.601 -15.919 116 H GLN 16 H GLN 16 -4.774 10.072 -14.880 117 HA GLN 16 HA GLN 16 -2.421 8.517 -14.406 118 1HB GLN 16 2HB GLN 16 -4.593 9.696 -12.786 119 2HB GLN 16 1HB GLN 16 -3.882 8.226 -12.121 120 1HG GLN 16 2HG GLN 16 -1.690 9.177 -12.105 121 2HG GLN 16 1HG GLN 16 -2.203 10.543 -13.099 122 1HE2 GLN 16 1HE2 GLN 16 -3.674 9.081 -10.141 123 2HE2 GLN 16 2HE2 GLN 16 -3.691 10.533 -9.262 124 H LYS 17 H LYS 17 -5.905 7.829 -14.434 125 HA LYS 17 HA LYS 17 -5.746 5.103 -13.687 126 1HB LYS 17 2HB LYS 17 -7.823 6.522 -15.380 127 2HB LYS 17 1HB LYS 17 -8.006 4.907 -14.699 128 1HG LYS 17 2HG LYS 17 -8.161 5.697 -12.509 129 2HG LYS 17 1HG LYS 17 -7.300 7.191 -12.880 130 1HD LYS 17 2HD LYS 17 -9.561 7.862 -12.635 131 2HD LYS 17 1HD LYS 17 -9.317 7.772 -14.379 132 1HE LYS 17 2HE LYS 17 -10.270 5.471 -14.364 133 2HE LYS 17 1HE LYS 17 -10.581 5.633 -12.637 134 1HZ LYS 17 1HZ LYS 17 -12.016 7.507 -13.088 135 2HZ LYS 17 2HZ LYS 17 -12.537 6.156 -13.977 136 3HZ LYS 17 3HZ LYS 17 -11.686 7.408 -14.750 137 H ASN 18 H ASN 18 -5.790 6.716 -16.860 138 HA ASN 18 HA ASN 18 -5.704 4.321 -18.409 139 1HB ASN 18 2HB ASN 18 -5.021 7.195 -19.032 140 2HB ASN 18 1HB ASN 18 -4.838 5.909 -20.225 141 1HD2 ASN 18 1HD2 ASN 18 -6.968 8.263 -19.431 142 2HD2 ASN 18 2HD2 ASN 18 -8.429 7.499 -19.837 143 H GLU 19 H GLU 19 -3.227 6.382 -16.984 144 HA GLU 19 HA GLU 19 -0.955 5.497 -18.339 145 1HB GLU 19 2HB GLU 19 -1.095 7.361 -16.621 146 2HB GLU 19 1HB GLU 19 -1.039 6.110 -15.379 147 1HG GLU 19 2HG GLU 19 1.146 5.532 -15.862 148 2HG GLU 19 1HG GLU 19 1.030 6.058 -17.539 149 H PHE 20 H PHE 20 -2.395 4.202 -15.339 150 HA PHE 20 HA PHE 20 -0.584 1.943 -15.279 151 1HB PHE 20 2HB PHE 20 -2.911 2.836 -13.609 152 2HB PHE 20 1HB PHE 20 -2.278 1.200 -13.447 153 HD1 PHE 20 HD1 PHE 20 0.018 0.806 -12.628 154 HD2 PHE 20 HD2 PHE 20 -1.611 4.770 -12.927 155 HE1 PHE 20 HE1 PHE 20 1.824 1.654 -11.166 156 HE2 PHE 20 HE2 PHE 20 0.208 5.626 -11.480 157 HZ PHE 20 HZ PHE 20 1.926 4.068 -10.595 158 H LYS 21 H LYS 21 -4.033 2.469 -16.013 159 HA LYS 21 HA LYS 21 -4.881 -0.155 -16.319 160 1HB LYS 21 2HB LYS 21 -6.367 1.825 -16.408 161 2HB LYS 21 1HB LYS 21 -5.748 2.193 -18.017 162 1HG LYS 21 2HG LYS 21 -6.639 -0.592 -17.728 163 2HG LYS 21 1HG LYS 21 -7.930 0.582 -17.475 164 1HD LYS 21 2HD LYS 21 -6.154 1.140 -19.779 165 2HD LYS 21 1HD LYS 21 -7.159 -0.301 -19.934 166 1HE LYS 21 2HE LYS 21 -9.128 0.897 -19.928 167 2HE LYS 21 1HE LYS 21 -8.471 2.176 -18.908 168 1HZ LYS 21 1HZ LYS 21 -7.193 2.987 -20.770 169 2HZ LYS 21 2HZ LYS 21 -8.835 2.910 -21.196 170 3HZ LYS 21 3HZ LYS 21 -7.754 1.726 -21.757 171 H ALA 22 H ALA 22 -3.050 1.841 -18.595 172 HA ALA 22 HA ALA 22 -3.309 0.265 -20.906 173 1HB ALA 22 1HB ALA 22 -2.220 2.522 -20.812 174 2HB ALA 22 2HB ALA 22 -1.261 1.317 -21.673 175 3HB ALA 22 3HB ALA 22 -0.834 1.769 -20.023 176 H ALA 23 H ALA 23 -0.769 0.206 -18.411 177 HA ALA 23 HA ALA 23 0.541 -2.127 -19.384 178 1HB ALA 23 1HB ALA 23 0.823 -0.295 -17.146 179 2HB ALA 23 2HB ALA 23 2.045 -1.299 -17.927 180 3HB ALA 23 3HB ALA 23 1.050 -1.967 -16.632 181 H PHE 24 H PHE 24 -2.045 -1.526 -17.066 182 HA PHE 24 HA PHE 24 -2.182 -4.065 -15.864 183 1HB PHE 24 2HB PHE 24 -3.448 -1.841 -15.302 184 2HB PHE 24 1HB PHE 24 -4.664 -2.468 -16.415 185 HD1 PHE 24 HD1 PHE 24 -5.722 -4.706 -15.976 186 HD2 PHE 24 HD2 PHE 24 -3.147 -2.787 -13.128 187 HE1 PHE 24 HE1 PHE 24 -6.571 -6.207 -14.196 188 HE2 PHE 24 HE2 PHE 24 -3.994 -4.285 -11.351 189 HZ PHE 24 HZ PHE 24 -5.704 -5.994 -11.886 190 H ASP 25 H ASP 25 -3.700 -2.801 -18.819 191 HA ASP 25 HA ASP 25 -5.342 -5.046 -19.358 192 1HB ASP 25 2HB ASP 25 -4.964 -2.560 -20.509 193 2HB ASP 25 1HB ASP 25 -4.366 -3.667 -21.744 194 H ILE 26 H ILE 26 -2.009 -4.275 -20.320 195 HA ILE 26 HA ILE 26 -1.783 -6.585 -22.035 196 HB ILE 26 HB ILE 26 0.646 -5.994 -22.121 197 1HG1 ILE 26 2HG1 ILE 26 -0.199 -3.651 -20.383 198 2HG1 ILE 26 1HG1 ILE 26 0.744 -5.022 -19.805 199 1HG2 ILE 26 1HG2 ILE 26 -0.861 -5.041 -23.755 200 2HG2 ILE 26 2HG2 ILE 26 0.250 -3.773 -23.238 201 3HG2 ILE 26 3HG2 ILE 26 -1.398 -3.810 -22.610 202 1HD1 ILE 26 1HD1 ILE 26 1.812 -2.716 -20.846 203 2HD1 ILE 26 2HD1 ILE 26 1.816 -3.784 -22.251 204 3HD1 ILE 26 3HD1 ILE 26 2.650 -4.268 -20.774 205 H PHE 27 H PHE 27 -0.806 -5.827 -18.702 206 HA PHE 27 HA PHE 27 0.656 -8.293 -18.383 207 1HB PHE 27 2HB PHE 27 -0.305 -6.295 -16.321 208 2HB PHE 27 1HB PHE 27 0.740 -7.674 -15.974 209 HD1 PHE 27 HD1 PHE 27 2.546 -7.776 -18.265 210 HD2 PHE 27 HD2 PHE 27 1.026 -4.363 -16.142 211 HE1 PHE 27 HE1 PHE 27 4.505 -6.449 -18.997 212 HE2 PHE 27 HE2 PHE 27 2.987 -3.037 -16.884 213 HZ PHE 27 HZ PHE 27 4.723 -4.081 -18.309 214 H ILE 28 H ILE 28 -2.645 -7.226 -17.702 215 HA ILE 28 HA ILE 28 -3.231 -9.838 -16.485 216 HB ILE 28 HB ILE 28 -3.957 -7.444 -15.588 217 1HG1 ILE 28 2HG1 ILE 28 -4.371 -9.685 -14.576 218 2HG1 ILE 28 1HG1 ILE 28 -5.677 -8.534 -14.304 219 1HG2 ILE 28 1HG2 ILE 28 -5.295 -7.146 -17.833 220 2HG2 ILE 28 2HG2 ILE 28 -5.982 -6.595 -16.305 221 3HG2 ILE 28 3HG2 ILE 28 -6.506 -8.125 -17.004 222 1HD1 ILE 28 1HD1 ILE 28 -5.617 -10.776 -16.341 223 2HD1 ILE 28 2HD1 ILE 28 -6.875 -9.543 -16.275 224 3HD1 ILE 28 3HD1 ILE 28 -6.660 -10.657 -14.925 225 H GLN 29 H GLN 29 -2.587 -9.793 -19.201 226 HA GLN 29 HA GLN 29 -4.992 -9.873 -20.805 227 1HB GLN 29 2HB GLN 29 -2.761 -9.226 -21.729 228 2HB GLN 29 1HB GLN 29 -2.219 -10.885 -21.479 229 1HG GLN 29 2HG GLN 29 -3.912 -11.727 -22.999 230 2HG GLN 29 1HG GLN 29 -4.626 -10.120 -23.155 231 1HE2 GLN 29 1HE2 GLN 29 -2.867 -8.378 -23.887 232 2HE2 GLN 29 2HE2 GLN 29 -1.840 -8.882 -25.141 233 H ASP 30 H ASP 30 -2.604 -12.284 -19.685 234 HA ASP 30 HA ASP 30 -4.475 -14.442 -20.369 235 1HB ASP 30 2HB ASP 30 -1.547 -14.412 -19.640 236 2HB ASP 30 1HB ASP 30 -2.480 -15.904 -19.757 237 H ALA 31 H ALA 31 -3.985 -12.521 -17.708 238 HA ALA 31 HA ALA 31 -4.055 -14.594 -15.680 239 1HB ALA 31 1HB ALA 31 -3.965 -11.614 -15.682 240 2HB ALA 31 2HB ALA 31 -3.009 -12.770 -14.757 241 3HB ALA 31 3HB ALA 31 -4.665 -12.411 -14.273 242 H GLU 32 H GLU 32 -5.790 -14.938 -14.244 243 HA GLU 32 HA GLU 32 -8.444 -14.134 -15.290 244 1HB GLU 32 2HB GLU 32 -7.584 -16.803 -14.154 245 2HB GLU 32 1HB GLU 32 -9.265 -16.352 -14.439 246 1HG GLU 32 2HG GLU 32 -9.064 -16.914 -16.607 247 2HG GLU 32 1HG GLU 32 -7.764 -15.738 -16.798 248 H ASP 33 H ASP 33 -6.900 -12.787 -13.223 249 HA ASP 33 HA ASP 33 -8.817 -13.092 -10.998 250 1HB ASP 33 2HB ASP 33 -5.829 -13.197 -10.859 251 2HB ASP 33 1HB ASP 33 -6.727 -12.484 -9.520 252 H GLY 34 H GLY 34 -7.930 -11.071 -13.324 253 1HA GLY 34 2HA GLY 34 -7.925 -8.792 -13.632 254 2HA GLY 34 1HA GLY 34 -8.959 -8.741 -12.207 255 H CYS 35 H CYS 35 -5.567 -9.793 -12.473 256 HA CYS 35 HA CYS 35 -4.611 -7.414 -11.071 257 1HB CYS 35 2HB CYS 35 -4.558 -10.186 -9.874 258 2HB CYS 35 1HB CYS 35 -3.420 -8.932 -9.389 259 HG CYS 35 HG CYS 35 -5.197 -8.052 -7.924 260 H ILE 36 H ILE 36 -2.382 -7.109 -11.255 261 HA ILE 36 HA ILE 36 -1.105 -8.663 -13.384 262 HB ILE 36 HB ILE 36 0.542 -6.935 -13.514 263 1HG1 ILE 36 2HG1 ILE 36 -0.073 -5.003 -11.604 264 2HG1 ILE 36 1HG1 ILE 36 -0.197 -6.515 -10.707 265 1HG2 ILE 36 1HG2 ILE 36 -1.945 -6.455 -14.181 266 2HG2 ILE 36 2HG2 ILE 36 -0.784 -5.128 -14.166 267 3HG2 ILE 36 3HG2 ILE 36 -1.905 -5.333 -12.821 268 1HD1 ILE 36 1HD1 ILE 36 2.140 -6.430 -12.484 269 2HD1 ILE 36 2HD1 ILE 36 2.044 -6.865 -10.775 270 3HD1 ILE 36 3HD1 ILE 36 2.164 -5.169 -11.250 271 H SER 37 H SER 37 1.413 -8.927 -12.967 272 HA SER 37 HA SER 37 1.602 -10.585 -10.560 273 1HB SER 37 2HB SER 37 2.474 -11.018 -13.107 274 2HB SER 37 1HB SER 37 3.940 -10.404 -12.350 275 HG SER 37 HG SER 37 3.255 -12.796 -12.219 276 H THR 38 H THR 38 2.244 -9.605 -8.749 277 HA THR 38 HA THR 38 3.548 -7.142 -8.506 278 HB THR 38 HB THR 38 4.152 -7.866 -6.204 279 HG1 THR 38 HG1 THR 38 4.402 -9.915 -5.933 280 1HG2 THR 38 1HG2 THR 38 1.389 -8.320 -7.295 281 2HG2 THR 38 2HG2 THR 38 1.990 -6.974 -6.328 282 3HG2 THR 38 3HG2 THR 38 1.719 -8.546 -5.579 283 H LYS 39 H LYS 39 4.874 -10.424 -8.678 284 HA LYS 39 HA LYS 39 7.582 -9.785 -8.198 285 1HB LYS 39 2HB LYS 39 8.099 -11.912 -9.391 286 2HB LYS 39 1HB LYS 39 6.857 -12.101 -8.155 287 1HG LYS 39 2HG LYS 39 5.459 -11.419 -10.503 288 2HG LYS 39 1HG LYS 39 6.680 -12.584 -11.012 289 1HD LYS 39 2HD LYS 39 5.746 -13.677 -8.646 290 2HD LYS 39 1HD LYS 39 4.288 -12.992 -9.362 291 1HE LYS 39 2HE LYS 39 4.568 -14.256 -11.374 292 2HE LYS 39 1HE LYS 39 6.208 -14.727 -10.931 293 1HZ LYS 39 1HZ LYS 39 5.291 -15.958 -9.049 294 2HZ LYS 39 2HZ LYS 39 4.667 -16.525 -10.523 295 3HZ LYS 39 3HZ LYS 39 3.719 -15.533 -9.523 296 H GLU 40 H GLU 40 5.568 -9.452 -11.041 297 HA GLU 40 HA GLU 40 7.892 -8.704 -12.688 298 1HB GLU 40 2HB GLU 40 5.027 -9.357 -13.397 299 2HB GLU 40 1HB GLU 40 6.185 -8.708 -14.558 300 1HG GLU 40 2HG GLU 40 7.574 -10.616 -14.421 301 2HG GLU 40 1HG GLU 40 6.827 -11.157 -12.917 302 H LEU 41 H LEU 41 6.567 -7.030 -10.493 303 HA LEU 41 HA LEU 41 5.095 -4.901 -11.541 304 1HB LEU 41 2HB LEU 41 5.882 -5.474 -9.086 305 2HB LEU 41 1HB LEU 41 7.190 -4.384 -9.474 306 HG LEU 41 HG LEU 41 5.248 -3.362 -8.236 307 1HD1 LEU 41 1HD1 LEU 41 5.528 -1.318 -9.305 308 2HD1 LEU 41 2HD1 LEU 41 5.470 -2.034 -10.916 309 3HD1 LEU 41 3HD1 LEU 41 6.917 -2.211 -9.923 310 1HD2 LEU 41 1HD2 LEU 41 3.522 -4.671 -9.575 311 2HD2 LEU 41 2HD2 LEU 41 3.837 -3.561 -10.910 312 3HD2 LEU 41 3HD2 LEU 41 3.183 -2.950 -9.392 313 H GLY 42 H GLY 42 8.579 -5.519 -11.588 314 1HA GLY 42 2HA GLY 42 9.509 -2.994 -12.392 315 2HA GLY 42 1HA GLY 42 10.298 -4.527 -12.755 316 H LYS 43 H LYS 43 8.029 -5.626 -14.216 317 HA LYS 43 HA LYS 43 8.622 -4.683 -16.832 318 1HB LYS 43 2HB LYS 43 6.291 -6.388 -15.908 319 2HB LYS 43 1HB LYS 43 6.827 -6.191 -17.575 320 1HG LYS 43 2HG LYS 43 8.959 -6.997 -15.695 321 2HG LYS 43 1HG LYS 43 7.681 -8.193 -15.909 322 1HD LYS 43 2HD LYS 43 7.968 -8.042 -18.366 323 2HD LYS 43 1HD LYS 43 9.277 -6.885 -18.129 324 1HE LYS 43 2HE LYS 43 10.702 -8.492 -17.185 325 2HE LYS 43 1HE LYS 43 9.370 -9.566 -16.764 326 1HZ LYS 43 1HZ LYS 43 9.019 -10.005 -19.108 327 2HZ LYS 43 2HZ LYS 43 10.615 -10.384 -18.670 328 3HZ LYS 43 3HZ LYS 43 10.283 -8.955 -19.525 329 H VAL 44 H VAL 44 6.203 -3.809 -14.464 330 HA VAL 44 HA VAL 44 4.655 -2.292 -16.426 331 HB VAL 44 HB VAL 44 2.912 -2.294 -14.963 332 1HG1 VAL 44 1HG1 VAL 44 4.225 -4.289 -13.201 333 2HG1 VAL 44 2HG1 VAL 44 4.203 -4.663 -14.923 334 3HG1 VAL 44 3HG1 VAL 44 2.688 -4.380 -14.063 335 1HG2 VAL 44 1HG2 VAL 44 3.408 -2.320 -12.369 336 2HG2 VAL 44 2HG2 VAL 44 3.550 -0.817 -13.279 337 3HG2 VAL 44 3HG2 VAL 44 4.995 -1.744 -12.870 338 H MET 45 H MET 45 6.895 -1.833 -13.754 339 HA MET 45 HA MET 45 6.642 0.931 -13.370 340 1HB MET 45 2HB MET 45 8.884 -1.027 -12.989 341 2HB MET 45 1HB MET 45 9.205 0.701 -12.825 342 1HG MET 45 2HG MET 45 6.834 -0.475 -11.414 343 2HG MET 45 1HG MET 45 8.441 -0.706 -10.724 344 1HE MET 45 1HE MET 45 5.737 2.481 -9.847 345 2HE MET 45 2HE MET 45 6.295 1.102 -8.904 346 3HE MET 45 3HE MET 45 5.536 0.838 -10.472 347 H ARG 46 H ARG 46 8.542 -0.937 -15.726 348 HA ARG 46 HA ARG 46 9.911 1.279 -16.867 349 1HB ARG 46 2HB ARG 46 10.326 -0.193 -18.806 350 2HB ARG 46 1HB ARG 46 10.677 -1.001 -17.281 351 1HG ARG 46 2HG ARG 46 8.678 -2.288 -17.381 352 2HG ARG 46 1HG ARG 46 8.001 -1.280 -18.659 353 1HD ARG 46 2HD ARG 46 8.782 -2.883 -20.056 354 2HD ARG 46 1HD ARG 46 10.342 -2.110 -19.812 355 HE ARG 46 HE ARG 46 9.438 -4.635 -18.640 356 1HH1 ARG 46 2HH1 ARG 46 11.846 -2.097 -18.746 357 2HH1 ARG 46 1HH1 ARG 46 13.061 -3.053 -17.974 358 1HH2 ARG 46 1HH2 ARG 46 11.055 -5.861 -17.631 359 2HH2 ARG 46 2HH2 ARG 46 12.619 -5.173 -17.346 360 H MET 47 H MET 47 6.729 -0.113 -17.423 361 HA MET 47 HA MET 47 6.152 1.386 -19.809 362 1HB MET 47 2HB MET 47 4.748 -0.521 -18.075 363 2HB MET 47 1HB MET 47 3.702 0.756 -18.696 364 1HG MET 47 2HG MET 47 3.587 -0.838 -20.403 365 2HG MET 47 1HG MET 47 4.860 0.234 -20.987 366 1HE MET 47 1HE MET 47 7.761 -1.846 -21.529 367 2HE MET 47 2HE MET 47 7.275 -0.216 -21.072 368 3HE MET 47 3HE MET 47 6.432 -1.046 -22.377 369 H LEU 48 H LEU 48 5.708 1.852 -16.344 370 HA LEU 48 HA LEU 48 3.999 4.150 -16.527 371 1HB LEU 48 2HB LEU 48 5.554 2.790 -14.379 372 2HB LEU 48 1HB LEU 48 5.086 4.453 -14.110 373 HG LEU 48 HG LEU 48 3.459 3.000 -13.084 374 1HD1 LEU 48 1HD1 LEU 48 2.214 3.976 -15.659 375 2HD1 LEU 48 2HD1 LEU 48 2.710 5.072 -14.368 376 3HD1 LEU 48 3HD1 LEU 48 1.463 3.861 -14.068 377 1HD2 LEU 48 1HD2 LEU 48 3.415 1.686 -15.804 378 2HD2 LEU 48 2HD2 LEU 48 2.086 1.490 -14.661 379 3HD2 LEU 48 3HD2 LEU 48 3.704 0.939 -14.232 380 H GLY 49 H GLY 49 7.456 3.602 -16.515 381 1HA GLY 49 2HA GLY 49 8.830 5.303 -17.658 382 2HA GLY 49 1HA GLY 49 7.916 6.519 -16.775 383 H GLN 50 H GLN 50 8.926 3.530 -15.237 384 HA GLN 50 HA GLN 50 11.091 4.952 -13.808 385 1HB GLN 50 2HB GLN 50 9.196 3.036 -12.437 386 2HB GLN 50 1HB GLN 50 10.386 4.101 -11.694 387 1HG GLN 50 2HG GLN 50 8.007 5.113 -13.280 388 2HG GLN 50 1HG GLN 50 7.990 4.909 -11.529 389 1HE2 GLN 50 1HE2 GLN 50 8.031 7.403 -13.436 390 2HE2 GLN 50 2HE2 GLN 50 9.242 8.378 -12.756 391 H ASN 51 H ASN 51 12.696 3.523 -12.855 392 HA ASN 51 HA ASN 51 12.677 0.747 -13.835 393 1HB ASN 51 2HB ASN 51 14.885 2.745 -14.387 394 2HB ASN 51 1HB ASN 51 15.044 1.004 -14.615 395 1HD2 ASN 51 1HD2 ASN 51 14.042 3.898 -16.148 396 2HD2 ASN 51 2HD2 ASN 51 13.228 3.192 -17.459 397 HA PRO 52 HA PRO 52 14.418 1.145 -9.559 398 1HB PRO 52 2HB PRO 52 12.488 -0.307 -8.280 399 2HB PRO 52 1HB PRO 52 12.368 1.433 -8.573 400 1HG PRO 52 2HG PRO 52 10.935 -0.791 -9.876 401 2HG PRO 52 1HG PRO 52 10.463 0.904 -9.702 402 1HD PRO 52 2HD PRO 52 11.557 -0.340 -12.030 403 2HD PRO 52 1HD PRO 52 11.246 1.396 -11.788 404 H THR 53 H THR 53 14.161 -1.055 -7.874 405 HA THR 53 HA THR 53 15.441 -3.225 -9.429 406 HB THR 53 HB THR 53 16.825 -3.674 -7.595 407 HG1 THR 53 HG1 THR 53 16.191 -3.465 -5.578 408 1HG2 THR 53 1HG2 THR 53 16.251 -0.714 -7.347 409 2HG2 THR 53 2HG2 THR 53 17.356 -1.451 -8.508 410 3HG2 THR 53 3HG2 THR 53 17.706 -1.533 -6.781 411 HA PRO 54 HA PRO 54 12.301 -6.032 -8.093 412 1HB PRO 54 2HB PRO 54 13.649 -8.232 -7.165 413 2HB PRO 54 1HB PRO 54 13.501 -7.809 -8.878 414 1HG PRO 54 2HG PRO 54 15.828 -7.508 -7.054 415 2HG PRO 54 1HG PRO 54 15.792 -7.798 -8.799 416 1HD PRO 54 2HD PRO 54 16.298 -5.332 -7.581 417 2HD PRO 54 1HD PRO 54 15.822 -5.554 -9.279 418 H GLU 55 H GLU 55 14.761 -5.340 -5.685 419 HA GLU 55 HA GLU 55 13.176 -6.273 -3.439 420 1HB GLU 55 2HB GLU 55 15.811 -4.848 -3.728 421 2HB GLU 55 1HB GLU 55 15.008 -4.931 -2.160 422 1HG GLU 55 2HG GLU 55 15.019 -7.341 -2.195 423 2HG GLU 55 1HG GLU 55 15.574 -7.367 -3.870 424 H GLU 56 H GLU 56 13.930 -3.232 -5.072 425 HA GLU 56 HA GLU 56 12.740 -1.491 -3.159 426 1HB GLU 56 2HB GLU 56 14.374 -0.926 -5.090 427 2HB GLU 56 1HB GLU 56 12.928 -0.868 -6.096 428 1HG GLU 56 2HG GLU 56 12.163 0.602 -3.890 429 2HG GLU 56 1HG GLU 56 13.865 1.033 -4.059 430 H LEU 57 H LEU 57 11.552 -2.791 -6.285 431 HA LEU 57 HA LEU 57 9.004 -1.600 -6.172 432 1HB LEU 57 2HB LEU 57 8.361 -3.068 -7.908 433 2HB LEU 57 1HB LEU 57 10.033 -2.654 -8.187 434 HG LEU 57 HG LEU 57 10.470 -4.940 -6.918 435 1HD1 LEU 57 1HD1 LEU 57 8.342 -6.287 -8.134 436 2HD1 LEU 57 2HD1 LEU 57 7.583 -4.903 -7.349 437 3HD1 LEU 57 3HD1 LEU 57 8.556 -6.029 -6.402 438 1HD2 LEU 57 1HD2 LEU 57 10.450 -6.056 -9.129 439 2HD2 LEU 57 2HD2 LEU 57 11.106 -4.423 -9.245 440 3HD2 LEU 57 3HD2 LEU 57 9.456 -4.749 -9.773 441 H GLN 58 H GLN 58 10.218 -4.650 -4.827 442 HA GLN 58 HA GLN 58 7.737 -5.788 -4.118 443 1HB GLN 58 2HB GLN 58 10.020 -6.919 -4.053 444 2HB GLN 58 1HB GLN 58 10.273 -6.106 -2.509 445 1HG GLN 58 2HG GLN 58 9.379 -8.298 -2.033 446 2HG GLN 58 1HG GLN 58 8.104 -7.125 -1.709 447 1HE2 GLN 58 1HE2 GLN 58 6.139 -7.399 -2.841 448 2HE2 GLN 58 2HE2 GLN 58 5.924 -8.493 -4.121 449 H GLU 59 H GLU 59 9.798 -3.429 -2.456 450 HA GLU 59 HA GLU 59 8.439 -3.401 0.028 451 1HB GLU 59 2HB GLU 59 10.147 -1.392 -1.423 452 2HB GLU 59 1HB GLU 59 9.339 -0.962 0.085 453 1HG GLU 59 2HG GLU 59 10.521 -2.582 1.325 454 2HG GLU 59 1HG GLU 59 10.984 -3.480 -0.121 455 H MET 60 H MET 60 7.903 -1.686 -3.020 456 HA MET 60 HA MET 60 5.796 0.004 -2.065 457 1HB MET 60 2HB MET 60 6.245 -0.885 -4.921 458 2HB MET 60 1HB MET 60 5.398 0.560 -4.369 459 1HG MET 60 2HG MET 60 7.525 1.396 -3.384 460 2HG MET 60 1HG MET 60 8.353 -0.021 -4.025 461 1HE MET 60 1HE MET 60 7.531 3.781 -5.078 462 2HE MET 60 2HE MET 60 6.163 2.819 -4.526 463 3HE MET 60 3HE MET 60 6.248 3.331 -6.209 464 H ILE 61 H ILE 61 5.982 -3.199 -3.479 465 HA ILE 61 HA ILE 61 3.192 -3.543 -3.972 466 HB ILE 61 HB ILE 61 5.442 -5.538 -3.617 467 1HG1 ILE 61 2HG1 ILE 61 5.607 -4.140 -5.627 468 2HG1 ILE 61 1HG1 ILE 61 5.176 -5.788 -6.075 469 1HG2 ILE 61 1HG2 ILE 61 2.582 -6.024 -4.509 470 2HG2 ILE 61 2HG2 ILE 61 3.295 -6.579 -2.996 471 3HG2 ILE 61 3HG2 ILE 61 3.880 -7.217 -4.530 472 1HD1 ILE 61 1HD1 ILE 61 3.652 -4.555 -7.337 473 2HD1 ILE 61 2HD1 ILE 61 3.477 -3.313 -6.098 474 3HD1 ILE 61 3HD1 ILE 61 2.708 -4.885 -5.884 475 H ASP 62 H ASP 62 5.337 -4.578 -1.317 476 HA ASP 62 HA ASP 62 3.444 -5.963 0.209 477 1HB ASP 62 2HB ASP 62 6.031 -5.697 0.519 478 2HB ASP 62 1HB ASP 62 5.580 -4.339 1.551 479 H GLU 63 H GLU 63 4.271 -2.500 0.229 480 HA GLU 63 HA GLU 63 2.521 -1.880 2.413 481 1HB GLU 63 2HB GLU 63 3.067 0.426 1.972 482 2HB GLU 63 1HB GLU 63 4.530 -0.542 1.828 483 1HG GLU 63 2HG GLU 63 4.266 -0.575 -0.625 484 2HG GLU 63 1HG GLU 63 2.813 0.413 -0.481 485 H VAL 64 H VAL 64 2.213 -1.666 -1.128 486 HA VAL 64 HA VAL 64 -0.342 -0.333 -0.991 487 HB VAL 64 HB VAL 64 1.219 -0.054 -2.913 488 1HG1 VAL 64 1HG1 VAL 64 1.570 -1.783 -4.501 489 2HG1 VAL 64 2HG1 VAL 64 0.293 -2.786 -3.812 490 3HG1 VAL 64 3HG1 VAL 64 1.804 -2.554 -2.933 491 1HG2 VAL 64 1HG2 VAL 64 -0.537 0.388 -4.302 492 2HG2 VAL 64 2HG2 VAL 64 -1.506 -0.072 -2.901 493 3HG2 VAL 64 3HG2 VAL 64 -1.181 -1.248 -4.173 494 H ASP 65 H ASP 65 0.734 -3.683 -1.446 495 HA ASP 65 HA ASP 65 -1.931 -4.656 -1.978 496 1HB ASP 65 2HB ASP 65 0.645 -5.681 -2.320 497 2HB ASP 65 1HB ASP 65 -0.064 -6.686 -1.061 498 H GLU 66 H GLU 66 -3.310 -4.262 -0.349 499 HA GLU 66 HA GLU 66 -2.753 -4.320 2.404 500 1HB GLU 66 2HB GLU 66 -5.254 -4.599 2.669 501 2HB GLU 66 1HB GLU 66 -4.750 -3.222 1.692 502 1HG GLU 66 2HG GLU 66 -5.438 -4.216 -0.307 503 2HG GLU 66 1HG GLU 66 -5.321 -5.848 0.345 504 H ASP 67 H ASP 67 -3.689 -6.892 0.198 505 HA ASP 67 HA ASP 67 -3.887 -8.812 2.409 506 1HB ASP 67 2HB ASP 67 -4.562 -10.404 0.528 507 2HB ASP 67 1HB ASP 67 -5.681 -9.094 0.893 508 H GLY 68 H GLY 68 -1.903 -8.051 -0.406 509 1HA GLY 68 2HA GLY 68 0.274 -8.668 -0.894 510 2HA GLY 68 1HA GLY 68 0.344 -9.482 0.667 511 H SER 69 H SER 69 -1.765 -9.925 -2.162 512 HA SER 69 HA SER 69 -1.465 -12.811 -2.003 513 1HB SER 69 2HB SER 69 -3.093 -12.807 -3.898 514 2HB SER 69 1HB SER 69 -3.669 -11.947 -2.474 515 HG SER 69 HG SER 69 -3.762 -10.212 -3.651 516 H GLY 70 H GLY 70 0.542 -10.553 -3.302 517 1HA GLY 70 2HA GLY 70 2.313 -10.784 -4.769 518 2HA GLY 70 1HA GLY 70 1.782 -12.433 -5.092 519 H THR 71 H THR 71 -0.589 -9.939 -5.393 520 HA THR 71 HA THR 71 -0.178 -9.627 -8.274 521 HB THR 71 HB THR 71 -2.392 -10.341 -8.872 522 HG1 THR 71 HG1 THR 71 -3.929 -10.726 -7.422 523 1HG2 THR 71 1HG2 THR 71 -0.728 -12.147 -8.641 524 2HG2 THR 71 2HG2 THR 71 -2.344 -12.721 -8.227 525 3HG2 THR 71 3HG2 THR 71 -1.186 -12.352 -6.949 526 H VAL 72 H VAL 72 -0.620 -7.596 -8.898 527 HA VAL 72 HA VAL 72 -1.842 -5.802 -6.918 528 HB VAL 72 HB VAL 72 -0.566 -4.942 -9.509 529 1HG1 VAL 72 1HG1 VAL 72 -1.867 -3.258 -8.302 530 2HG1 VAL 72 2HG1 VAL 72 -0.149 -2.883 -8.170 531 3HG1 VAL 72 3HG1 VAL 72 -0.997 -3.623 -6.812 532 1HG2 VAL 72 1HG2 VAL 72 0.764 -5.515 -6.842 533 2HG2 VAL 72 2HG2 VAL 72 1.522 -4.614 -8.155 534 3HG2 VAL 72 3HG2 VAL 72 1.103 -6.314 -8.379 535 H ASP 73 H ASP 73 -3.884 -5.248 -7.079 536 HA ASP 73 HA ASP 73 -5.438 -5.770 -9.484 537 1HB ASP 73 2HB ASP 73 -6.201 -5.949 -6.971 538 2HB ASP 73 1HB ASP 73 -6.449 -4.213 -7.120 539 H PHE 74 H PHE 74 -6.898 -3.926 -10.294 540 HA PHE 74 HA PHE 74 -5.286 -1.792 -11.194 541 1HB PHE 74 2HB PHE 74 -7.422 -2.632 -12.292 542 2HB PHE 74 1HB PHE 74 -8.305 -1.703 -11.078 543 HD1 PHE 74 HD1 PHE 74 -5.137 -1.027 -12.956 544 HD2 PHE 74 HD2 PHE 74 -9.153 0.224 -12.100 545 HE1 PHE 74 HE1 PHE 74 -4.780 1.029 -14.285 546 HE2 PHE 74 HE2 PHE 74 -8.795 2.283 -13.432 547 HZ PHE 74 HZ PHE 74 -6.612 2.685 -14.526 548 H ASP 75 H ASP 75 -7.386 -2.163 -8.401 549 HA ASP 75 HA ASP 75 -7.491 0.591 -7.646 550 1HB ASP 75 2HB ASP 75 -7.805 -1.937 -6.000 551 2HB ASP 75 1HB ASP 75 -8.113 -0.310 -5.393 552 H GLU 76 H GLU 76 -5.422 -2.153 -6.727 553 HA GLU 76 HA GLU 76 -3.754 -0.659 -4.941 554 1HB GLU 76 2HB GLU 76 -3.116 -3.249 -6.385 555 2HB GLU 76 1HB GLU 76 -2.298 -2.616 -4.958 556 1HG GLU 76 2HG GLU 76 -4.366 -2.809 -3.650 557 2HG GLU 76 1HG GLU 76 -5.239 -3.366 -5.077 558 H PHE 77 H PHE 77 -3.792 -1.249 -8.386 559 HA PHE 77 HA PHE 77 -1.116 -0.570 -9.017 560 1HB PHE 77 2HB PHE 77 -3.214 -1.559 -10.427 561 2HB PHE 77 1HB PHE 77 -3.250 0.113 -10.964 562 HD1 PHE 77 HD1 PHE 77 -2.752 -0.748 -13.235 563 HD2 PHE 77 HD2 PHE 77 0.023 -1.228 -9.980 564 HE1 PHE 77 HE1 PHE 77 -0.932 -1.239 -14.843 565 HE2 PHE 77 HE2 PHE 77 1.828 -1.716 -11.597 566 HZ PHE 77 HZ PHE 77 1.355 -1.725 -14.028 567 H LEU 78 H LEU 78 -4.120 1.356 -9.177 568 HA LEU 78 HA LEU 78 -2.772 3.810 -9.800 569 1HB LEU 78 2HB LEU 78 -5.557 3.034 -9.057 570 2HB LEU 78 1HB LEU 78 -5.097 4.721 -8.929 571 HG LEU 78 HG LEU 78 -4.725 4.890 -11.277 572 1HD1 LEU 78 1HD1 LEU 78 -5.096 1.890 -11.466 573 2HD1 LEU 78 2HD1 LEU 78 -3.529 2.698 -11.489 574 3HD1 LEU 78 3HD1 LEU 78 -4.690 2.992 -12.783 575 1HD2 LEU 78 1HD2 LEU 78 -7.080 4.926 -10.730 576 2HD2 LEU 78 2HD2 LEU 78 -7.143 3.164 -10.685 577 3HD2 LEU 78 3HD2 LEU 78 -6.889 3.998 -12.217 578 H VAL 79 H VAL 79 -3.670 2.167 -6.848 579 HA VAL 79 HA VAL 79 -3.559 4.340 -5.046 580 HB VAL 79 HB VAL 79 -3.383 1.368 -4.823 581 1HG1 VAL 79 1HG1 VAL 79 -1.541 2.044 -3.375 582 2HG1 VAL 79 2HG1 VAL 79 -2.917 1.558 -2.381 583 3HG1 VAL 79 3HG1 VAL 79 -2.554 3.269 -2.610 584 1HG2 VAL 79 1HG2 VAL 79 -5.481 2.878 -4.734 585 2HG2 VAL 79 2HG2 VAL 79 -4.921 3.334 -3.126 586 3HG2 VAL 79 3HG2 VAL 79 -5.309 1.651 -3.481 587 H MET 80 H MET 80 -1.092 1.983 -6.062 588 HA MET 80 HA MET 80 1.082 2.704 -4.569 589 1HB MET 80 2HB MET 80 0.662 1.189 -6.873 590 2HB MET 80 1HB MET 80 1.861 2.390 -7.353 591 1HG MET 80 2HG MET 80 3.413 1.668 -5.768 592 2HG MET 80 1HG MET 80 2.173 0.963 -4.732 593 1HE MET 80 1HE MET 80 3.685 -0.732 -8.733 594 2HE MET 80 2HE MET 80 4.232 0.747 -7.946 595 3HE MET 80 3HE MET 80 2.608 0.667 -8.624 596 H MET 81 H MET 81 -0.237 4.440 -7.367 597 HA MET 81 HA MET 81 1.931 6.288 -7.625 598 1HB MET 81 2HB MET 81 0.351 5.845 -9.468 599 2HB MET 81 1HB MET 81 -0.947 6.574 -8.525 600 1HG MET 81 2HG MET 81 0.067 8.149 -10.194 601 2HG MET 81 1HG MET 81 0.180 8.728 -8.533 602 1HE MET 81 1HE MET 81 1.782 7.190 -11.550 603 2HE MET 81 2HE MET 81 2.316 5.925 -10.447 604 3HE MET 81 3HE MET 81 3.502 7.002 -11.179 605 H VAL 82 H VAL 82 -1.376 6.711 -6.305 606 HA VAL 82 HA VAL 82 -0.932 9.310 -5.283 607 HB VAL 82 HB VAL 82 -2.959 8.935 -3.915 608 1HG1 VAL 82 1HG1 VAL 82 -4.487 8.521 -5.815 609 2HG1 VAL 82 2HG1 VAL 82 -3.134 7.903 -6.762 610 3HG1 VAL 82 3HG1 VAL 82 -3.168 9.598 -6.275 611 1HG2 VAL 82 1HG2 VAL 82 -4.084 6.823 -3.875 612 2HG2 VAL 82 2HG2 VAL 82 -2.401 6.480 -3.477 613 3HG2 VAL 82 3HG2 VAL 82 -3.008 6.150 -5.098 614 H ARG 83 H ARG 83 -0.301 6.134 -3.919 615 HA ARG 83 HA ARG 83 -0.059 6.652 -1.214 616 1HB ARG 83 2HB ARG 83 1.505 4.840 -3.042 617 2HB ARG 83 1HB ARG 83 1.872 4.934 -1.321 618 1HG ARG 83 2HG ARG 83 -0.869 4.680 -1.303 619 2HG ARG 83 1HG ARG 83 -0.418 3.683 -2.685 620 1HD ARG 83 2HD ARG 83 0.564 2.110 -1.386 621 2HD ARG 83 1HD ARG 83 1.328 3.313 -0.353 622 HE ARG 83 HE ARG 83 -1.538 2.999 0.048 623 1HH1 ARG 83 2HH1 ARG 83 1.680 2.000 0.968 624 2HH1 ARG 83 1HH1 ARG 83 1.192 1.426 2.524 625 1HH2 ARG 83 1HH2 ARG 83 -2.154 2.235 2.096 626 2HH2 ARG 83 2HH2 ARG 83 -0.969 1.559 3.162 627 H CYS 84 H CYS 84 2.206 7.428 -3.814 628 HA CYS 84 HA CYS 84 4.208 8.462 -1.961 629 1HB CYS 84 2HB CYS 84 4.610 7.288 -4.272 630 2HB CYS 84 1HB CYS 84 4.316 8.900 -4.925 631 HG CYS 84 HG CYS 84 6.687 8.144 -3.051 632 H MET 85 H MET 85 1.885 9.724 -4.340 633 HA MET 85 HA MET 85 2.646 12.434 -4.239 634 1HB MET 85 2HB MET 85 0.943 11.162 -5.802 635 2HB MET 85 1HB MET 85 -0.232 11.679 -4.594 636 1HG MET 85 2HG MET 85 -0.292 13.555 -5.911 637 2HG MET 85 1HG MET 85 1.095 14.001 -4.918 638 1HE MET 85 1HE MET 85 0.054 14.947 -7.522 639 2HE MET 85 2HE MET 85 0.057 13.690 -8.756 640 3HE MET 85 3HE MET 85 1.280 14.959 -8.797 641 H LYS 86 H LYS 86 -0.166 10.907 -2.625 642 HA LYS 86 HA LYS 86 -0.293 13.146 -0.740 643 1HB LYS 86 2HB LYS 86 -2.444 12.323 -0.116 644 2HB LYS 86 1HB LYS 86 -2.355 12.156 -1.868 645 1HG LYS 86 2HG LYS 86 -1.938 9.805 -1.718 646 2HG LYS 86 1HG LYS 86 -1.639 9.897 0.017 647 1HD LYS 86 2HD LYS 86 -4.299 10.704 -1.156 648 2HD LYS 86 1HD LYS 86 -3.948 9.023 -0.756 649 1HE LYS 86 2HE LYS 86 -4.493 9.466 1.382 650 2HE LYS 86 1HE LYS 86 -3.104 10.548 1.473 651 1HZ LYS 86 1HZ LYS 86 -5.878 11.241 0.680 652 2HZ LYS 86 2HZ LYS 86 -4.559 12.296 0.490 653 3HZ LYS 86 3HZ LYS 86 -5.028 11.788 2.042 654 H ASP 87 H ASP 87 -1.349 11.850 1.501 655 HA ASP 87 HA ASP 87 -0.707 10.852 3.463 656 1HB ASP 87 2HB ASP 87 -0.428 8.909 1.542 657 2HB ASP 87 1HB ASP 87 1.182 8.939 2.261 658 H ASP 88 H ASP 88 0.641 13.136 2.807 659 HA ASP 88 HA ASP 88 3.491 12.633 3.357 660 1HB ASP 88 2HB ASP 88 2.221 15.315 2.792 661 2HB ASP 88 1HB ASP 88 3.919 14.862 2.648 662 H SER 89 HN SER 89 0.802 14.668 4.547 663 HA SER 89 HA SER 89 1.971 14.504 7.250 664 1HB SER 89 2HB SER 89 2.460 16.734 6.012 665 2HB SER 89 1HB SER 89 0.751 17.073 6.269 666 HG SER 89 HG SER 89 1.080 17.193 8.381 Start of MODEL 32 1 1H MET 1 1H MET 1 -8.039 1.564 8.922 2 2H MET 1 2H MET 1 -6.683 1.457 7.903 3 3H MET 1 3H MET 1 -8.249 1.443 7.245 4 HA MET 1 HA MET 1 -8.627 3.695 7.809 5 1HB MET 1 2HB MET 1 -6.658 3.117 9.803 6 2HB MET 1 1HB MET 1 -6.073 4.480 8.849 7 1HG MET 1 2HG MET 1 -7.395 5.483 10.536 8 2HG MET 1 1HG MET 1 -8.452 5.450 9.126 9 1HE MET 1 1HE MET 1 -10.764 5.272 9.744 10 2HE MET 1 2HE MET 1 -10.165 5.963 11.249 11 3HE MET 1 3HE MET 1 -11.334 4.645 11.297 12 H ASN 2 H ASN 2 -8.373 3.125 5.479 13 HA ASN 2 HA ASN 2 -5.909 4.346 4.370 14 1HB ASN 2 2HB ASN 2 -7.520 2.085 3.157 15 2HB ASN 2 1HB ASN 2 -6.093 2.838 2.446 16 1HD2 ASN 2 1HD2 ASN 2 -7.146 1.039 5.376 17 2HD2 ASN 2 2HD2 ASN 2 -5.630 0.336 5.671 18 H ASP 3 H ASP 3 -8.624 5.457 5.049 19 HA ASP 3 HA ASP 3 -10.113 5.920 2.692 20 1HB ASP 3 2HB ASP 3 -11.136 7.801 3.917 21 2HB ASP 3 1HB ASP 3 -11.064 6.345 4.907 22 H ILE 4 H ILE 4 -7.257 7.474 3.989 23 HA ILE 4 HA ILE 4 -7.358 9.852 2.461 24 HB ILE 4 HB ILE 4 -5.020 10.168 2.968 25 1HG1 ILE 4 2HG1 ILE 4 -4.453 7.679 2.502 26 2HG1 ILE 4 1HG1 ILE 4 -3.552 8.503 3.766 27 1HG2 ILE 4 1HG2 ILE 4 -6.823 9.129 5.118 28 2HG2 ILE 4 2HG2 ILE 4 -6.210 10.760 4.855 29 3HG2 ILE 4 3HG2 ILE 4 -5.154 9.520 5.528 30 1HD1 ILE 4 1HD1 ILE 4 -5.555 7.547 5.277 31 2HD1 ILE 4 2HD1 ILE 4 -4.118 6.593 4.922 32 3HD1 ILE 4 3HD1 ILE 4 -5.595 6.340 3.994 33 H TYR 5 H TYR 5 -6.256 6.614 1.684 34 HA TYR 5 HA TYR 5 -4.969 7.413 -0.793 35 1HB TYR 5 2HB TYR 5 -5.780 4.631 0.098 36 2HB TYR 5 1HB TYR 5 -4.651 5.039 -1.194 37 HD1 TYR 5 HD1 TYR 5 -5.038 4.434 2.325 38 HD2 TYR 5 HD2 TYR 5 -2.537 6.381 -0.574 39 HE1 TYR 5 HE1 TYR 5 -3.201 4.539 3.982 40 HE2 TYR 5 HE2 TYR 5 -0.700 6.488 1.084 41 HH TYR 5 HH TYR 5 -0.824 6.457 3.966 42 H LYS 6 H LYS 6 -8.067 6.077 0.241 43 HA LYS 6 HA LYS 6 -9.113 5.492 -2.340 44 1HB LYS 6 2HB LYS 6 -10.466 6.074 0.303 45 2HB LYS 6 1HB LYS 6 -11.341 5.597 -1.153 46 1HG LYS 6 2HG LYS 6 -10.201 3.482 -1.244 47 2HG LYS 6 1HG LYS 6 -9.065 3.973 0.013 48 1HD LYS 6 2HD LYS 6 -11.305 4.339 1.404 49 2HD LYS 6 1HD LYS 6 -11.931 3.150 0.263 50 1HE LYS 6 2HE LYS 6 -9.317 2.653 1.671 51 2HE LYS 6 1HE LYS 6 -10.842 2.313 2.491 52 1HZ LYS 6 1HZ LYS 6 -9.999 0.374 1.311 53 2HZ LYS 6 2HZ LYS 6 -10.034 1.229 -0.156 54 3HZ LYS 6 3HZ LYS 6 -11.481 0.883 0.664 55 H ALA 7 H ALA 7 -8.979 8.409 -0.376 56 HA ALA 7 HA ALA 7 -10.877 9.918 -1.899 57 1HB ALA 7 1HB ALA 7 -10.017 10.373 0.498 58 2HB ALA 7 2HB ALA 7 -10.269 11.755 -0.567 59 3HB ALA 7 3HB ALA 7 -8.640 11.136 -0.296 60 H ALA 8 H ALA 8 -7.396 9.373 -2.098 61 HA ALA 8 HA ALA 8 -6.879 11.469 -3.992 62 1HB ALA 8 1HB ALA 8 -5.108 10.523 -2.539 63 2HB ALA 8 2HB ALA 8 -4.688 10.438 -4.250 64 3HB ALA 8 3HB ALA 8 -5.242 8.991 -3.405 65 H VAL 9 H VAL 9 -7.390 7.950 -4.226 66 HA VAL 9 HA VAL 9 -7.041 7.808 -7.052 67 HB VAL 9 HB VAL 9 -6.919 5.860 -5.446 68 1HG1 VAL 9 1HG1 VAL 9 -9.938 6.114 -5.592 69 2HG1 VAL 9 2HG1 VAL 9 -8.939 6.306 -4.152 70 3HG1 VAL 9 3HG1 VAL 9 -9.072 4.729 -4.926 71 1HG2 VAL 9 1HG2 VAL 9 -7.830 4.273 -7.062 72 2HG2 VAL 9 2HG2 VAL 9 -7.093 5.619 -7.932 73 3HG2 VAL 9 3HG2 VAL 9 -8.847 5.529 -7.768 74 H GLU 10 H GLU 10 -9.686 8.786 -5.025 75 HA GLU 10 HA GLU 10 -11.719 8.485 -7.072 76 1HB GLU 10 2HB GLU 10 -11.646 9.479 -4.255 77 2HB GLU 10 1HB GLU 10 -12.969 10.004 -5.295 78 1HG GLU 10 2HG GLU 10 -12.239 7.091 -5.198 79 2HG GLU 10 1HG GLU 10 -13.211 7.785 -3.900 80 H GLN 11 H GLN 11 -9.393 10.903 -6.173 81 HA GLN 11 HA GLN 11 -10.890 12.966 -7.666 82 1HB GLN 11 2HB GLN 11 -9.537 14.621 -6.538 83 2HB GLN 11 1HB GLN 11 -10.229 13.531 -5.339 84 1HG GLN 11 2HG GLN 11 -8.115 12.270 -5.249 85 2HG GLN 11 1HG GLN 11 -7.417 13.338 -6.465 86 1HE2 GLN 11 1HE2 GLN 11 -8.243 13.049 -3.067 87 2HE2 GLN 11 2HE2 GLN 11 -7.617 14.553 -2.594 88 H LEU 12 H LEU 12 -8.441 10.762 -8.252 89 HA LEU 12 HA LEU 12 -6.550 12.398 -9.628 90 1HB LEU 12 2HB LEU 12 -5.991 10.185 -10.818 91 2HB LEU 12 1HB LEU 12 -5.670 10.330 -9.107 92 HG LEU 12 HG LEU 12 -7.633 8.995 -8.589 93 1HD1 LEU 12 1HD1 LEU 12 -8.820 7.901 -10.602 94 2HD1 LEU 12 2HD1 LEU 12 -8.106 9.195 -11.565 95 3HD1 LEU 12 3HD1 LEU 12 -9.218 9.584 -10.253 96 1HD2 LEU 12 1HD2 LEU 12 -5.597 7.754 -9.034 97 2HD2 LEU 12 2HD2 LEU 12 -5.880 7.833 -10.774 98 3HD2 LEU 12 3HD2 LEU 12 -6.945 6.870 -9.749 99 H THR 13 H THR 13 -6.109 11.937 -12.065 100 HA THR 13 HA THR 13 -8.520 12.760 -13.495 101 HB THR 13 HB THR 13 -6.597 12.681 -15.413 102 HG1 THR 13 HG1 THR 13 -4.904 12.101 -14.203 103 1HG2 THR 13 1HG2 THR 13 -6.128 15.136 -14.407 104 2HG2 THR 13 2HG2 THR 13 -7.585 14.724 -13.501 105 3HG2 THR 13 3HG2 THR 13 -7.611 14.717 -15.265 106 H ASP 14 H ASP 14 -8.943 11.862 -15.660 107 HA ASP 14 HA ASP 14 -9.273 9.025 -15.556 108 1HB ASP 14 2HB ASP 14 -10.662 10.844 -16.851 109 2HB ASP 14 1HB ASP 14 -9.471 10.566 -18.122 110 H GLU 15 H GLU 15 -6.920 11.202 -16.982 111 HA GLU 15 HA GLU 15 -5.668 9.370 -18.761 112 1HB GLU 15 2HB GLU 15 -4.951 11.993 -17.543 113 2HB GLU 15 1HB GLU 15 -3.631 11.011 -18.178 114 1HG GLU 15 2HG GLU 15 -5.282 10.748 -20.249 115 2HG GLU 15 1HG GLU 15 -5.923 12.271 -19.632 116 H GLN 16 H GLN 16 -5.295 10.048 -15.322 117 HA GLN 16 HA GLN 16 -2.887 8.556 -14.933 118 1HB GLN 16 2HB GLN 16 -4.922 9.855 -13.213 119 2HB GLN 16 1HB GLN 16 -4.066 8.495 -12.489 120 1HG GLN 16 2HG GLN 16 -1.976 9.535 -12.685 121 2HG GLN 16 1HG GLN 16 -2.533 10.630 -13.950 122 1HE2 GLN 16 1HE2 GLN 16 -3.699 9.883 -10.603 123 2HE2 GLN 16 2HE2 GLN 16 -3.780 11.508 -10.124 124 H LYS 17 H LYS 17 -6.346 7.841 -14.591 125 HA LYS 17 HA LYS 17 -6.082 5.201 -13.588 126 1HB LYS 17 2HB LYS 17 -8.315 6.419 -15.240 127 2HB LYS 17 1HB LYS 17 -8.413 4.890 -14.367 128 1HG LYS 17 2HG LYS 17 -8.451 5.919 -12.288 129 2HG LYS 17 1HG LYS 17 -7.575 7.340 -12.858 130 1HD LYS 17 2HD LYS 17 -9.660 8.290 -12.777 131 2HD LYS 17 1HD LYS 17 -9.800 7.558 -14.375 132 1HE LYS 17 2HE LYS 17 -10.535 5.449 -12.845 133 2HE LYS 17 1HE LYS 17 -11.084 6.771 -11.815 134 1HZ LYS 17 1HZ LYS 17 -12.817 6.135 -13.340 135 2HZ LYS 17 2HZ LYS 17 -11.787 6.362 -14.672 136 3HZ LYS 17 3HZ LYS 17 -12.271 7.692 -13.732 137 H ASN 18 H ASN 18 -6.407 6.513 -16.875 138 HA ASN 18 HA ASN 18 -6.424 3.993 -18.212 139 1HB ASN 18 2HB ASN 18 -5.858 6.811 -19.130 140 2HB ASN 18 1HB ASN 18 -5.736 5.435 -20.224 141 1HD2 ASN 18 1HD2 ASN 18 -7.702 7.515 -20.579 142 2HD2 ASN 18 2HD2 ASN 18 -9.236 6.828 -20.338 143 H GLU 19 H GLU 19 -3.869 6.158 -17.134 144 HA GLU 19 HA GLU 19 -1.708 5.197 -18.629 145 1HB GLU 19 2HB GLU 19 -1.665 7.188 -17.093 146 2HB GLU 19 1HB GLU 19 -1.600 6.069 -15.731 147 1HG GLU 19 2HG GLU 19 0.513 5.196 -16.422 148 2HG GLU 19 1HG GLU 19 0.396 5.973 -18.003 149 H PHE 20 H PHE 20 -2.933 4.104 -15.459 150 HA PHE 20 HA PHE 20 -1.073 1.895 -15.324 151 1HB PHE 20 2HB PHE 20 -3.388 2.825 -13.651 152 2HB PHE 20 1HB PHE 20 -2.682 1.231 -13.393 153 HD1 PHE 20 HD1 PHE 20 -2.133 4.858 -13.170 154 HD2 PHE 20 HD2 PHE 20 -0.364 0.986 -12.604 155 HE1 PHE 20 HE1 PHE 20 -0.312 5.886 -11.841 156 HE2 PHE 20 HE2 PHE 20 1.449 2.006 -11.263 157 HZ PHE 20 HZ PHE 20 1.481 4.460 -10.884 158 H LYS 21 H LYS 21 -4.580 2.264 -15.877 159 HA LYS 21 HA LYS 21 -5.303 -0.411 -16.083 160 1HB LYS 21 2HB LYS 21 -6.830 1.620 -16.124 161 2HB LYS 21 1HB LYS 21 -6.458 1.750 -17.840 162 1HG LYS 21 2HG LYS 21 -8.499 0.468 -17.626 163 2HG LYS 21 1HG LYS 21 -7.217 -0.644 -18.105 164 1HD LYS 21 2HD LYS 21 -6.984 -1.481 -15.870 165 2HD LYS 21 1HD LYS 21 -8.001 -0.196 -15.216 166 1HE LYS 21 2HE LYS 21 -9.879 -1.110 -16.678 167 2HE LYS 21 1HE LYS 21 -8.849 -2.510 -16.969 168 1HZ LYS 21 1HZ LYS 21 -9.757 -1.539 -14.312 169 2HZ LYS 21 2HZ LYS 21 -8.737 -2.872 -14.577 170 3HZ LYS 21 3HZ LYS 21 -10.345 -2.906 -15.125 171 H ALA 22 H ALA 22 -3.753 1.651 -18.506 172 HA ALA 22 HA ALA 22 -4.094 -0.028 -20.757 173 1HB ALA 22 1HB ALA 22 -3.284 2.287 -20.962 174 2HB ALA 22 2HB ALA 22 -2.152 1.159 -21.706 175 3HB ALA 22 3HB ALA 22 -1.800 1.845 -20.121 176 H ALA 23 H ALA 23 -1.360 0.278 -18.490 177 HA ALA 23 HA ALA 23 0.118 -1.935 -19.514 178 1HB ALA 23 1HB ALA 23 1.198 -0.178 -18.173 179 2HB ALA 23 2HB ALA 23 1.413 -1.754 -17.412 180 3HB ALA 23 3HB ALA 23 0.214 -0.625 -16.777 181 H PHE 24 H PHE 24 -2.305 -1.509 -17.014 182 HA PHE 24 HA PHE 24 -2.126 -3.996 -15.716 183 1HB PHE 24 2HB PHE 24 -3.480 -1.912 -15.055 184 2HB PHE 24 1HB PHE 24 -4.708 -2.500 -16.174 185 HD1 PHE 24 HD1 PHE 24 -5.600 -4.885 -15.844 186 HD2 PHE 24 HD2 PHE 24 -3.306 -2.795 -12.880 187 HE1 PHE 24 HE1 PHE 24 -6.439 -6.433 -14.101 188 HE2 PHE 24 HE2 PHE 24 -4.145 -4.339 -11.140 189 HZ PHE 24 HZ PHE 24 -5.718 -6.153 -11.749 190 H ASP 25 H ASP 25 -4.123 -2.960 -18.481 191 HA ASP 25 HA ASP 25 -5.501 -5.412 -18.822 192 1HB ASP 25 2HB ASP 25 -6.128 -3.146 -19.789 193 2HB ASP 25 1HB ASP 25 -4.915 -3.446 -21.034 194 H ILE 26 H ILE 26 -2.482 -4.211 -20.280 195 HA ILE 26 HA ILE 26 -2.240 -6.383 -22.125 196 HB ILE 26 HB ILE 26 0.116 -5.621 -22.404 197 1HG1 ILE 26 2HG1 ILE 26 -0.639 -3.507 -20.361 198 2HG1 ILE 26 1HG1 ILE 26 0.407 -4.883 -20.011 199 1HG2 ILE 26 1HG2 ILE 26 -2.190 -3.682 -22.516 200 2HG2 ILE 26 2HG2 ILE 26 -1.419 -4.558 -23.838 201 3HG2 ILE 26 3HG2 ILE 26 -0.584 -3.208 -23.070 202 1HD1 ILE 26 1HD1 ILE 26 2.090 -3.505 -20.650 203 2HD1 ILE 26 2HD1 ILE 26 0.995 -2.406 -21.488 204 3HD1 ILE 26 3HD1 ILE 26 1.558 -3.873 -22.291 205 H PHE 27 H PHE 27 -1.023 -5.843 -18.837 206 HA PHE 27 HA PHE 27 0.617 -8.215 -18.861 207 1HB PHE 27 2HB PHE 27 -0.282 -6.439 -16.580 208 2HB PHE 27 1HB PHE 27 0.832 -7.796 -16.402 209 HD1 PHE 27 HD1 PHE 27 2.481 -7.663 -18.814 210 HD2 PHE 27 HD2 PHE 27 0.995 -4.471 -16.348 211 HE1 PHE 27 HE1 PHE 27 4.344 -6.211 -19.568 212 HE2 PHE 27 HE2 PHE 27 2.858 -3.023 -17.111 213 HZ PHE 27 HZ PHE 27 4.531 -3.892 -18.716 214 H ILE 28 H ILE 28 -2.695 -7.464 -17.894 215 HA ILE 28 HA ILE 28 -3.008 -10.198 -16.825 216 HB ILE 28 HB ILE 28 -5.127 -9.506 -15.924 217 1HG1 ILE 28 2HG1 ILE 28 -5.483 -6.824 -16.363 218 2HG1 ILE 28 1HG1 ILE 28 -4.840 -7.342 -17.921 219 1HG2 ILE 28 1HG2 ILE 28 -3.149 -8.838 -14.636 220 2HG2 ILE 28 2HG2 ILE 28 -4.431 -7.637 -14.466 221 3HG2 ILE 28 3HG2 ILE 28 -3.061 -7.322 -15.532 222 1HD1 ILE 28 1HD1 ILE 28 -6.635 -8.732 -18.361 223 2HD1 ILE 28 2HD1 ILE 28 -7.443 -7.486 -17.407 224 3HD1 ILE 28 3HD1 ILE 28 -6.974 -9.010 -16.651 225 H GLN 29 H GLN 29 -2.929 -9.056 -19.792 226 HA GLN 29 HA GLN 29 -5.316 -9.459 -21.111 227 1HB GLN 29 2HB GLN 29 -3.327 -8.664 -22.260 228 2HB GLN 29 1HB GLN 29 -2.526 -10.215 -22.011 229 1HG GLN 29 2HG GLN 29 -4.148 -11.343 -23.417 230 2HG GLN 29 1HG GLN 29 -5.108 -9.870 -23.560 231 1HE2 GLN 29 1HE2 GLN 29 -3.719 -7.904 -24.462 232 2HE2 GLN 29 2HE2 GLN 29 -2.682 -8.280 -25.752 233 H ASP 30 H ASP 30 -3.000 -11.900 -20.010 234 HA ASP 30 HA ASP 30 -4.830 -14.033 -20.928 235 1HB ASP 30 2HB ASP 30 -1.924 -14.249 -20.101 236 2HB ASP 30 1HB ASP 30 -2.921 -15.545 -20.763 237 H ALA 31 H ALA 31 -4.892 -12.331 -18.344 238 HA ALA 31 HA ALA 31 -4.648 -14.473 -16.342 239 1HB ALA 31 1HB ALA 31 -4.782 -12.753 -14.671 240 2HB ALA 31 2HB ALA 31 -5.253 -11.549 -15.870 241 3HB ALA 31 3HB ALA 31 -3.621 -12.219 -15.887 242 H GLU 32 H GLU 32 -6.355 -14.991 -14.960 243 HA GLU 32 HA GLU 32 -9.043 -14.157 -15.886 244 1HB GLU 32 2HB GLU 32 -8.047 -16.906 -15.119 245 2HB GLU 32 1HB GLU 32 -9.763 -16.496 -15.135 246 1HG GLU 32 2HG GLU 32 -9.854 -16.375 -17.422 247 2HG GLU 32 1HG GLU 32 -8.217 -15.734 -17.557 248 H ASP 33 H ASP 33 -7.724 -12.775 -13.907 249 HA ASP 33 HA ASP 33 -9.341 -13.454 -11.537 250 1HB ASP 33 2HB ASP 33 -6.390 -12.793 -11.501 251 2HB ASP 33 1HB ASP 33 -7.417 -12.850 -10.069 252 H GLY 34 H GLY 34 -7.182 -11.016 -12.993 253 1HA GLY 34 2HA GLY 34 -8.037 -8.792 -13.496 254 2HA GLY 34 1HA GLY 34 -9.046 -8.913 -12.057 255 H CYS 35 H CYS 35 -5.618 -9.709 -12.513 256 HA CYS 35 HA CYS 35 -4.692 -7.402 -11.028 257 1HB CYS 35 2HB CYS 35 -3.590 -8.824 -9.259 258 2HB CYS 35 1HB CYS 35 -5.343 -8.695 -9.125 259 HG CYS 35 HG CYS 35 -3.858 -11.225 -10.207 260 H ILE 36 H ILE 36 -2.516 -7.022 -11.311 261 HA ILE 36 HA ILE 36 -1.222 -8.620 -13.380 262 HB ILE 36 HB ILE 36 0.370 -6.868 -13.585 263 1HG1 ILE 36 2HG1 ILE 36 -0.146 -4.947 -11.639 264 2HG1 ILE 36 1HG1 ILE 36 -0.225 -6.463 -10.741 265 1HG2 ILE 36 1HG2 ILE 36 -1.010 -5.171 -14.277 266 2HG2 ILE 36 2HG2 ILE 36 -1.923 -5.152 -12.768 267 3HG2 ILE 36 3HG2 ILE 36 -2.245 -6.394 -13.978 268 1HD1 ILE 36 1HD1 ILE 36 2.011 -6.396 -12.634 269 2HD1 ILE 36 2HD1 ILE 36 2.008 -6.799 -10.915 270 3HD1 ILE 36 3HD1 ILE 36 2.104 -5.113 -11.427 271 H SER 37 H SER 37 1.270 -8.916 -13.023 272 HA SER 37 HA SER 37 1.529 -10.501 -10.574 273 1HB SER 37 2HB SER 37 2.189 -11.434 -12.819 274 2HB SER 37 1HB SER 37 3.497 -10.256 -12.861 275 HG SER 37 HG SER 37 3.837 -12.500 -11.916 276 H THR 38 H THR 38 2.236 -9.475 -8.818 277 HA THR 38 HA THR 38 3.589 -7.017 -8.722 278 HB THR 38 HB THR 38 4.167 -7.596 -6.397 279 HG1 THR 38 HG1 THR 38 4.575 -9.634 -6.135 280 1HG2 THR 38 1HG2 THR 38 1.740 -8.373 -5.750 281 2HG2 THR 38 2HG2 THR 38 1.427 -8.140 -7.469 282 3HG2 THR 38 3HG2 THR 38 1.992 -6.791 -6.485 283 H LYS 39 H LYS 39 4.777 -10.316 -8.989 284 HA LYS 39 HA LYS 39 7.525 -9.836 -8.495 285 1HB LYS 39 2HB LYS 39 6.377 -11.883 -10.414 286 2HB LYS 39 1HB LYS 39 7.951 -11.937 -9.623 287 1HG LYS 39 2HG LYS 39 7.072 -12.611 -7.614 288 2HG LYS 39 1HG LYS 39 5.583 -11.694 -7.841 289 1HD LYS 39 2HD LYS 39 5.022 -13.393 -9.693 290 2HD LYS 39 1HD LYS 39 6.316 -14.379 -9.012 291 1HE LYS 39 2HE LYS 39 5.209 -14.540 -6.899 292 2HE LYS 39 1HE LYS 39 4.050 -13.285 -7.334 293 1HZ LYS 39 1HZ LYS 39 3.159 -14.736 -9.040 294 2HZ LYS 39 2HZ LYS 39 3.092 -15.500 -7.524 295 3HZ LYS 39 3HZ LYS 39 4.287 -15.939 -8.648 296 H GLU 40 H GLU 40 5.488 -9.475 -11.332 297 HA GLU 40 HA GLU 40 7.793 -8.580 -12.934 298 1HB GLU 40 2HB GLU 40 4.994 -9.435 -13.687 299 2HB GLU 40 1HB GLU 40 6.098 -8.671 -14.830 300 1HG GLU 40 2HG GLU 40 7.573 -10.478 -14.825 301 2HG GLU 40 1HG GLU 40 7.040 -11.037 -13.238 302 H LEU 41 H LEU 41 6.462 -6.979 -10.751 303 HA LEU 41 HA LEU 41 4.829 -4.951 -11.853 304 1HB LEU 41 2HB LEU 41 6.007 -5.462 -9.346 305 2HB LEU 41 1HB LEU 41 6.578 -3.883 -9.829 306 HG LEU 41 HG LEU 41 3.693 -4.750 -9.528 307 1HD1 LEU 41 1HD1 LEU 41 4.739 -2.418 -8.068 308 2HD1 LEU 41 2HD1 LEU 41 5.501 -3.942 -7.616 309 3HD1 LEU 41 3HD1 LEU 41 3.753 -3.759 -7.487 310 1HD2 LEU 41 1HD2 LEU 41 3.917 -1.942 -9.809 311 2HD2 LEU 41 2HD2 LEU 41 3.177 -3.070 -10.943 312 3HD2 LEU 41 3HD2 LEU 41 4.877 -2.636 -11.116 313 H GLY 42 H GLY 42 8.320 -5.412 -11.814 314 1HA GLY 42 2HA GLY 42 9.199 -2.848 -12.510 315 2HA GLY 42 1HA GLY 42 10.014 -4.346 -12.954 316 H LYS 43 H LYS 43 7.828 -5.437 -14.499 317 HA LYS 43 HA LYS 43 8.400 -4.322 -17.041 318 1HB LYS 43 2HB LYS 43 6.195 -6.190 -16.143 319 2HB LYS 43 1HB LYS 43 6.493 -5.763 -17.827 320 1HG LYS 43 2HG LYS 43 8.830 -6.606 -17.591 321 2HG LYS 43 1HG LYS 43 8.446 -7.125 -15.949 322 1HD LYS 43 2HD LYS 43 6.754 -8.657 -16.763 323 2HD LYS 43 1HD LYS 43 6.938 -8.051 -18.409 324 1HE LYS 43 2HE LYS 43 9.117 -8.980 -18.621 325 2HE LYS 43 1HE LYS 43 9.252 -9.257 -16.885 326 1HZ LYS 43 1HZ LYS 43 8.766 -11.302 -18.077 327 2HZ LYS 43 2HZ LYS 43 7.343 -10.620 -18.708 328 3HZ LYS 43 3HZ LYS 43 7.490 -10.895 -17.038 329 H VAL 44 H VAL 44 5.920 -3.640 -14.663 330 HA VAL 44 HA VAL 44 4.406 -2.006 -16.567 331 HB VAL 44 HB VAL 44 2.592 -2.273 -15.249 332 1HG1 VAL 44 1HG1 VAL 44 4.200 -4.214 -13.589 333 2HG1 VAL 44 2HG1 VAL 44 3.767 -4.561 -15.262 334 3HG1 VAL 44 3HG1 VAL 44 2.503 -4.313 -14.058 335 1HG2 VAL 44 1HG2 VAL 44 2.786 -2.231 -12.674 336 2HG2 VAL 44 2HG2 VAL 44 3.103 -0.726 -13.535 337 3HG2 VAL 44 3HG2 VAL 44 4.445 -1.703 -12.934 338 H MET 45 H MET 45 6.362 -1.679 -13.632 339 HA MET 45 HA MET 45 5.980 1.119 -13.307 340 1HB MET 45 2HB MET 45 7.321 -0.909 -11.905 341 2HB MET 45 1HB MET 45 8.581 0.228 -12.384 342 1HG MET 45 2HG MET 45 7.907 1.318 -10.487 343 2HG MET 45 1HG MET 45 6.682 1.977 -11.570 344 1HE MET 45 1HE MET 45 4.367 0.458 -12.060 345 2HE MET 45 2HE MET 45 4.415 1.977 -11.168 346 3HE MET 45 3HE MET 45 3.439 0.639 -10.566 347 H ARG 46 H ARG 46 8.553 -0.794 -14.863 348 HA ARG 46 HA ARG 46 10.127 1.423 -15.692 349 1HB ARG 46 2HB ARG 46 9.916 -1.348 -16.895 350 2HB ARG 46 1HB ARG 46 11.157 -0.161 -17.298 351 1HG ARG 46 2HG ARG 46 12.100 -0.240 -15.125 352 2HG ARG 46 1HG ARG 46 10.676 -1.025 -14.445 353 1HD ARG 46 2HD ARG 46 11.945 -2.907 -14.673 354 2HD ARG 46 1HD ARG 46 11.338 -2.851 -16.324 355 HE ARG 46 HE ARG 46 13.701 -1.304 -16.169 356 1HH1 ARG 46 2HH1 ARG 46 12.615 -4.619 -15.985 357 2HH1 ARG 46 1HH1 ARG 46 14.107 -5.272 -16.572 358 1HH2 ARG 46 1HH2 ARG 46 15.649 -2.184 -16.937 359 2HH2 ARG 46 2HH2 ARG 46 15.819 -3.898 -17.109 360 H MET 47 H MET 47 7.349 -0.215 -17.090 361 HA MET 47 HA MET 47 7.490 1.012 -19.676 362 1HB MET 47 2HB MET 47 5.651 -0.741 -18.239 363 2HB MET 47 1HB MET 47 4.799 0.467 -19.197 364 1HG MET 47 2HG MET 47 5.233 -1.555 -20.534 365 2HG MET 47 1HG MET 47 6.114 -0.174 -21.185 366 1HE MET 47 1HE MET 47 7.969 -0.308 -22.028 367 2HE MET 47 2HE MET 47 9.361 -1.342 -21.719 368 3HE MET 47 3HE MET 47 9.065 0.055 -20.688 369 H LEU 48 H LEU 48 6.039 1.846 -16.584 370 HA LEU 48 HA LEU 48 4.529 4.103 -17.531 371 1HB LEU 48 2HB LEU 48 5.218 2.895 -14.913 372 2HB LEU 48 1HB LEU 48 4.857 4.605 -14.901 373 HG LEU 48 HG LEU 48 2.621 4.251 -15.576 374 1HD1 LEU 48 1HD1 LEU 48 2.322 2.772 -17.268 375 2HD1 LEU 48 2HD1 LEU 48 2.203 1.543 -16.008 376 3HD1 LEU 48 3HD1 LEU 48 3.744 1.836 -16.811 377 1HD2 LEU 48 1HD2 LEU 48 2.616 3.630 -13.337 378 2HD2 LEU 48 2HD2 LEU 48 3.673 2.244 -13.611 379 3HD2 LEU 48 3HD2 LEU 48 1.972 2.162 -14.075 380 H GLY 49 H GLY 49 7.749 3.567 -16.224 381 1HA GLY 49 2HA GLY 49 9.435 5.201 -17.151 382 2HA GLY 49 1HA GLY 49 8.366 6.449 -16.524 383 H GLN 50 H GLN 50 8.991 3.429 -14.803 384 HA GLN 50 HA GLN 50 10.701 4.877 -12.873 385 1HB GLN 50 2HB GLN 50 8.580 2.884 -12.056 386 2HB GLN 50 1HB GLN 50 9.542 3.925 -11.009 387 1HG GLN 50 2HG GLN 50 7.606 4.973 -13.089 388 2HG GLN 50 1HG GLN 50 7.180 4.734 -11.396 389 1HE2 GLN 50 1HE2 GLN 50 7.699 7.254 -13.235 390 2HE2 GLN 50 2HE2 GLN 50 8.691 8.222 -12.256 391 H ASN 51 H ASN 51 12.524 3.840 -12.397 392 HA ASN 51 HA ASN 51 12.680 0.919 -12.888 393 1HB ASN 51 2HB ASN 51 14.781 3.003 -13.547 394 2HB ASN 51 1HB ASN 51 15.019 1.260 -13.659 395 1HD2 ASN 51 1HD2 ASN 51 13.015 3.933 -14.993 396 2HD2 ASN 51 2HD2 ASN 51 12.671 3.143 -16.454 397 HA PRO 52 HA PRO 52 14.193 1.809 -8.622 398 1HB PRO 52 2HB PRO 52 12.582 0.007 -7.350 399 2HB PRO 52 1HB PRO 52 12.087 1.661 -7.736 400 1HG PRO 52 2HG PRO 52 11.264 -0.885 -8.978 401 2HG PRO 52 1HG PRO 52 10.410 0.664 -8.914 402 1HD PRO 52 2HD PRO 52 11.878 -0.392 -11.128 403 2HD PRO 52 1HD PRO 52 11.170 1.234 -10.992 404 H THR 53 H THR 53 14.358 -0.306 -6.828 405 HA THR 53 HA THR 53 16.252 -2.144 -8.166 406 HB THR 53 HB THR 53 17.468 -2.242 -6.162 407 HG1 THR 53 HG1 THR 53 16.553 -2.199 -4.254 408 1HG2 THR 53 1HG2 THR 53 17.795 0.031 -5.401 409 2HG2 THR 53 2HG2 THR 53 16.207 0.503 -6.005 410 3HG2 THR 53 3HG2 THR 53 17.484 0.058 -7.138 411 HA PRO 54 HA PRO 54 13.752 -5.633 -7.069 412 1HB PRO 54 2HB PRO 54 15.443 -7.410 -5.846 413 2HB PRO 54 1HB PRO 54 15.449 -7.075 -7.585 414 1HG PRO 54 2HG PRO 54 17.346 -6.176 -5.484 415 2HG PRO 54 1HG PRO 54 17.633 -6.496 -7.201 416 1HD PRO 54 2HD PRO 54 17.343 -3.961 -6.046 417 2HD PRO 54 1HD PRO 54 17.202 -4.318 -7.782 418 H GLU 55 H GLU 55 15.582 -4.263 -4.411 419 HA GLU 55 HA GLU 55 14.026 -5.537 -2.327 420 1HB GLU 55 2HB GLU 55 16.078 -3.318 -2.336 421 2HB GLU 55 1HB GLU 55 15.194 -3.772 -0.880 422 1HG GLU 55 2HG GLU 55 15.960 -6.185 -1.388 423 2HG GLU 55 1HG GLU 55 17.114 -5.448 -2.500 424 H GLU 56 H GLU 56 14.174 -2.371 -3.939 425 HA GLU 56 HA GLU 56 12.097 -1.186 -2.351 426 1HB GLU 56 2HB GLU 56 13.983 -0.109 -3.924 427 2HB GLU 56 1HB GLU 56 12.655 -0.149 -5.085 428 1HG GLU 56 2HG GLU 56 11.298 1.252 -3.770 429 2HG GLU 56 1HG GLU 56 12.221 0.928 -2.303 430 H LEU 57 H LEU 57 12.236 -2.877 -5.461 431 HA LEU 57 HA LEU 57 9.689 -2.348 -6.449 432 1HB LEU 57 2HB LEU 57 11.160 -3.450 -7.887 433 2HB LEU 57 1HB LEU 57 11.615 -4.631 -6.685 434 HG LEU 57 HG LEU 57 10.235 -5.434 -8.664 435 1HD1 LEU 57 1HD1 LEU 57 9.664 -7.195 -7.364 436 2HD1 LEU 57 2HD1 LEU 57 8.653 -6.204 -6.312 437 3HD1 LEU 57 3HD1 LEU 57 10.397 -6.274 -6.050 438 1HD2 LEU 57 1HD2 LEU 57 8.581 -3.336 -7.931 439 2HD2 LEU 57 2HD2 LEU 57 7.736 -4.747 -7.298 440 3HD2 LEU 57 3HD2 LEU 57 8.139 -4.657 -9.012 441 H GLN 58 H GLN 58 10.794 -4.949 -4.269 442 HA GLN 58 HA GLN 58 8.175 -6.058 -3.902 443 1HB GLN 58 2HB GLN 58 10.848 -6.706 -3.067 444 2HB GLN 58 1HB GLN 58 9.779 -6.727 -1.665 445 1HG GLN 58 2HG GLN 58 9.321 -8.208 -4.276 446 2HG GLN 58 1HG GLN 58 9.802 -8.935 -2.743 447 1HE2 GLN 58 1HE2 GLN 58 7.110 -8.395 -4.656 448 2HE2 GLN 58 2HE2 GLN 58 5.911 -8.436 -3.458 449 H GLU 59 H GLU 59 10.095 -3.619 -2.229 450 HA GLU 59 HA GLU 59 8.642 -3.416 0.168 451 1HB GLU 59 2HB GLU 59 10.391 -1.575 -1.397 452 2HB GLU 59 1HB GLU 59 9.371 -0.864 -0.148 453 1HG GLU 59 2HG GLU 59 10.348 -2.219 1.559 454 2HG GLU 59 1HG GLU 59 11.140 -3.261 0.377 455 H MET 60 H MET 60 8.162 -1.795 -2.971 456 HA MET 60 HA MET 60 5.994 -0.154 -2.219 457 1HB MET 60 2HB MET 60 6.546 -1.373 -4.937 458 2HB MET 60 1HB MET 60 5.483 -0.005 -4.615 459 1HG MET 60 2HG MET 60 7.681 0.952 -3.442 460 2HG MET 60 1HG MET 60 8.463 -0.143 -4.580 461 1HE MET 60 1HE MET 60 6.231 3.725 -5.286 462 2HE MET 60 2HE MET 60 6.586 2.865 -3.791 463 3HE MET 60 3HE MET 60 5.221 2.363 -4.784 464 H ILE 61 H ILE 61 6.097 -3.382 -3.650 465 HA ILE 61 HA ILE 61 3.313 -3.799 -3.866 466 HB ILE 61 HB ILE 61 5.500 -5.854 -3.451 467 1HG1 ILE 61 2HG1 ILE 61 4.199 -5.203 -6.078 468 2HG1 ILE 61 1HG1 ILE 61 5.479 -4.149 -5.477 469 1HG2 ILE 61 1HG2 ILE 61 3.898 -7.427 -4.443 470 2HG2 ILE 61 2HG2 ILE 61 2.699 -6.143 -4.587 471 3HG2 ILE 61 3HG2 ILE 61 3.204 -6.702 -2.993 472 1HD1 ILE 61 1HD1 ILE 61 7.023 -6.014 -5.336 473 2HD1 ILE 61 2HD1 ILE 61 6.321 -5.992 -6.952 474 3HD1 ILE 61 3HD1 ILE 61 5.748 -7.154 -5.757 475 H ASP 62 H ASP 62 5.574 -4.954 -1.347 476 HA ASP 62 HA ASP 62 3.732 -6.160 0.350 477 1HB ASP 62 2HB ASP 62 6.368 -5.940 0.462 478 2HB ASP 62 1HB ASP 62 5.985 -4.618 1.563 479 H GLU 63 H GLU 63 4.380 -2.739 -0.097 480 HA GLU 63 HA GLU 63 2.924 -1.980 2.311 481 1HB GLU 63 2HB GLU 63 4.394 -0.465 0.171 482 2HB GLU 63 1HB GLU 63 3.327 0.372 1.298 483 1HG GLU 63 2HG GLU 63 4.607 -0.320 3.187 484 2HG GLU 63 1HG GLU 63 5.497 -1.512 2.241 485 H VAL 64 H VAL 64 2.506 -1.572 -1.227 486 HA VAL 64 HA VAL 64 -0.039 -0.285 -0.966 487 HB VAL 64 HB VAL 64 1.442 0.059 -2.919 488 1HG1 VAL 64 1HG1 VAL 64 1.960 -2.517 -2.969 489 2HG1 VAL 64 2HG1 VAL 64 1.921 -1.606 -4.478 490 3HG1 VAL 64 3HG1 VAL 64 0.535 -2.590 -4.008 491 1HG2 VAL 64 1HG2 VAL 64 -0.334 0.427 -4.340 492 2HG2 VAL 64 2HG2 VAL 64 -1.237 0.097 -2.863 493 3HG2 VAL 64 3HG2 VAL 64 -1.023 -1.173 -4.067 494 H ASP 65 H ASP 65 0.946 -3.634 -1.657 495 HA ASP 65 HA ASP 65 -1.696 -4.576 -2.197 496 1HB ASP 65 2HB ASP 65 0.885 -5.639 -2.370 497 2HB ASP 65 1HB ASP 65 0.090 -6.612 -1.137 498 H GLU 66 H GLU 66 -3.235 -4.370 -0.701 499 HA GLU 66 HA GLU 66 -2.816 -4.287 2.105 500 1HB GLU 66 2HB GLU 66 -5.388 -5.003 0.672 501 2HB GLU 66 1HB GLU 66 -5.229 -4.386 2.316 502 1HG GLU 66 2HG GLU 66 -4.224 -2.296 1.403 503 2HG GLU 66 1HG GLU 66 -4.491 -2.912 -0.228 504 H ASP 67 H ASP 67 -4.016 -6.832 -0.041 505 HA ASP 67 HA ASP 67 -4.144 -8.786 2.094 506 1HB ASP 67 2HB ASP 67 -4.615 -10.378 0.133 507 2HB ASP 67 1HB ASP 67 -5.804 -9.119 0.459 508 H GLY 68 H GLY 68 -1.985 -8.060 -0.617 509 1HA GLY 68 2HA GLY 68 0.239 -8.638 -0.921 510 2HA GLY 68 1HA GLY 68 0.204 -9.435 0.649 511 H SER 69 H SER 69 -1.711 -9.940 -2.305 512 HA SER 69 HA SER 69 -1.321 -12.820 -2.100 513 1HB SER 69 2HB SER 69 -2.934 -12.910 -3.986 514 2HB SER 69 1HB SER 69 -3.554 -12.011 -2.604 515 HG SER 69 HG SER 69 -3.901 -10.592 -4.163 516 H GLY 70 H GLY 70 0.668 -10.543 -3.305 517 1HA GLY 70 2HA GLY 70 2.460 -10.693 -4.753 518 2HA GLY 70 1HA GLY 70 1.974 -12.348 -5.114 519 H THR 71 H THR 71 -0.413 -9.852 -5.408 520 HA THR 71 HA THR 71 0.018 -9.528 -8.286 521 HB THR 71 HB THR 71 -2.226 -10.213 -8.879 522 HG1 THR 71 HG1 THR 71 -3.527 -9.824 -7.234 523 1HG2 THR 71 1HG2 THR 71 -2.126 -12.614 -8.333 524 2HG2 THR 71 2HG2 THR 71 -0.944 -12.279 -7.066 525 3HG2 THR 71 3HG2 THR 71 -0.528 -11.999 -8.758 526 H VAL 72 H VAL 72 -0.400 -7.482 -8.888 527 HA VAL 72 HA VAL 72 -1.624 -5.687 -6.922 528 HB VAL 72 HB VAL 72 -0.562 -4.840 -9.610 529 1HG1 VAL 72 1HG1 VAL 72 -1.902 -3.287 -8.125 530 2HG1 VAL 72 2HG1 VAL 72 -0.281 -2.713 -8.519 531 3HG1 VAL 72 3HG1 VAL 72 -0.606 -3.420 -6.936 532 1HG2 VAL 72 1HG2 VAL 72 1.615 -4.419 -8.463 533 2HG2 VAL 72 2HG2 VAL 72 1.234 -6.140 -8.567 534 3HG2 VAL 72 3HG2 VAL 72 1.005 -5.275 -7.046 535 H ASP 73 H ASP 73 -3.722 -5.345 -6.972 536 HA ASP 73 HA ASP 73 -5.323 -5.927 -9.330 537 1HB ASP 73 2HB ASP 73 -6.066 -4.772 -6.623 538 2HB ASP 73 1HB ASP 73 -7.223 -5.176 -7.891 539 H PHE 74 H PHE 74 -6.902 -4.187 -10.120 540 HA PHE 74 HA PHE 74 -5.465 -1.944 -11.004 541 1HB PHE 74 2HB PHE 74 -7.608 -2.866 -12.023 542 2HB PHE 74 1HB PHE 74 -8.475 -1.977 -10.768 543 HD1 PHE 74 HD1 PHE 74 -5.398 -1.167 -12.745 544 HD2 PHE 74 HD2 PHE 74 -9.434 -0.081 -11.760 545 HE1 PHE 74 HE1 PHE 74 -5.161 0.914 -14.065 546 HE2 PHE 74 HE2 PHE 74 -9.194 2.004 -13.080 547 HZ PHE 74 HZ PHE 74 -7.059 2.501 -14.233 548 H ASP 75 H ASP 75 -7.501 -2.405 -8.165 549 HA ASP 75 HA ASP 75 -7.666 0.329 -7.380 550 1HB ASP 75 2HB ASP 75 -7.807 -2.200 -5.712 551 2HB ASP 75 1HB ASP 75 -8.215 -0.586 -5.130 552 H GLU 76 H GLU 76 -5.430 -2.318 -6.579 553 HA GLU 76 HA GLU 76 -3.789 -0.754 -4.815 554 1HB GLU 76 2HB GLU 76 -3.052 -3.306 -6.275 555 2HB GLU 76 1HB GLU 76 -2.264 -2.642 -4.845 556 1HG GLU 76 2HG GLU 76 -4.302 -2.961 -3.527 557 2HG GLU 76 1HG GLU 76 -5.167 -3.523 -4.955 558 H PHE 77 H PHE 77 -3.886 -1.373 -8.251 559 HA PHE 77 HA PHE 77 -1.267 -0.591 -8.960 560 1HB PHE 77 2HB PHE 77 -3.302 -1.685 -10.330 561 2HB PHE 77 1HB PHE 77 -3.521 -0.013 -10.819 562 HD1 PHE 77 HD1 PHE 77 -3.041 -0.831 -13.133 563 HD2 PHE 77 HD2 PHE 77 -0.090 -0.980 -10.001 564 HE1 PHE 77 HE1 PHE 77 -1.244 -1.107 -14.817 565 HE2 PHE 77 HE2 PHE 77 1.688 -1.242 -11.692 566 HZ PHE 77 HZ PHE 77 1.115 -1.311 -14.103 567 H LEU 78 H LEU 78 -4.335 1.249 -9.092 568 HA LEU 78 HA LEU 78 -3.074 3.726 -9.758 569 1HB LEU 78 2HB LEU 78 -5.809 2.888 -8.930 570 2HB LEU 78 1HB LEU 78 -5.388 4.583 -8.778 571 HG LEU 78 HG LEU 78 -5.112 4.827 -11.123 572 1HD1 LEU 78 1HD1 LEU 78 -3.802 2.728 -11.447 573 2HD1 LEU 78 2HD1 LEU 78 -5.034 2.964 -12.686 574 3HD1 LEU 78 3HD1 LEU 78 -5.309 1.814 -11.374 575 1HD2 LEU 78 1HD2 LEU 78 -7.453 4.711 -10.500 576 2HD2 LEU 78 2HD2 LEU 78 -7.420 2.948 -10.546 577 3HD2 LEU 78 3HD2 LEU 78 -7.250 3.874 -12.039 578 H VAL 79 H VAL 79 -3.891 2.125 -6.744 579 HA VAL 79 HA VAL 79 -3.687 4.328 -4.988 580 HB VAL 79 HB VAL 79 -3.563 1.362 -4.733 581 1HG1 VAL 79 1HG1 VAL 79 -1.611 2.020 -3.411 582 2HG1 VAL 79 2HG1 VAL 79 -2.926 1.518 -2.347 583 3HG1 VAL 79 3HG1 VAL 79 -2.572 3.233 -2.562 584 1HG2 VAL 79 1HG2 VAL 79 -4.937 3.386 -2.964 585 2HG2 VAL 79 2HG2 VAL 79 -5.391 1.710 -3.275 586 3HG2 VAL 79 3HG2 VAL 79 -5.605 2.929 -4.531 587 H MET 80 H MET 80 -1.260 1.976 -6.114 588 HA MET 80 HA MET 80 0.970 2.761 -4.685 589 1HB MET 80 2HB MET 80 0.491 1.117 -6.891 590 2HB MET 80 1HB MET 80 1.661 2.301 -7.472 591 1HG MET 80 2HG MET 80 3.050 1.835 -5.430 592 2HG MET 80 1HG MET 80 1.927 0.539 -5.020 593 1HE MET 80 1HE MET 80 1.086 -0.970 -6.503 594 2HE MET 80 2HE MET 80 2.328 -2.207 -6.661 595 3HE MET 80 3HE MET 80 1.685 -1.429 -8.103 596 H MET 81 H MET 81 -0.550 4.390 -7.408 597 HA MET 81 HA MET 81 1.568 6.173 -8.051 598 1HB MET 81 2HB MET 81 -0.644 5.605 -9.344 599 2HB MET 81 1HB MET 81 -1.312 6.933 -8.395 600 1HG MET 81 2HG MET 81 1.027 8.051 -9.241 601 2HG MET 81 1HG MET 81 0.653 7.000 -10.606 602 1HE MET 81 1HE MET 81 -1.954 6.525 -10.690 603 2HE MET 81 2HE MET 81 -1.969 7.493 -12.160 604 3HE MET 81 3HE MET 81 -3.158 7.802 -10.898 605 H VAL 82 H VAL 82 -1.267 6.480 -5.915 606 HA VAL 82 HA VAL 82 -0.561 9.166 -5.106 607 HB VAL 82 HB VAL 82 -2.433 8.957 -3.519 608 1HG1 VAL 82 1HG1 VAL 82 -2.870 8.063 -6.374 609 2HG1 VAL 82 2HG1 VAL 82 -3.054 9.683 -5.701 610 3HG1 VAL 82 3HG1 VAL 82 -4.212 8.419 -5.287 611 1HG2 VAL 82 1HG2 VAL 82 -3.656 6.956 -3.217 612 2HG2 VAL 82 2HG2 VAL 82 -1.974 6.427 -3.184 613 3HG2 VAL 82 3HG2 VAL 82 -2.940 6.203 -4.643 614 H ARG 83 H ARG 83 -0.027 5.922 -3.897 615 HA ARG 83 HA ARG 83 0.688 6.531 -1.232 616 1HB ARG 83 2HB ARG 83 1.636 4.287 -3.032 617 2HB ARG 83 1HB ARG 83 1.933 4.371 -1.296 618 1HG ARG 83 2HG ARG 83 -0.786 4.800 -1.436 619 2HG ARG 83 1HG ARG 83 -0.524 3.648 -2.745 620 1HD ARG 83 2HD ARG 83 0.218 1.983 -1.322 621 2HD ARG 83 1HD ARG 83 0.810 3.126 -0.121 622 HE ARG 83 HE ARG 83 -2.060 3.182 -0.382 623 1HH1 ARG 83 2HH1 ARG 83 0.643 1.521 1.079 624 2HH1 ARG 83 1HH1 ARG 83 -0.289 0.907 2.401 625 1HH2 ARG 83 1HH2 ARG 83 -3.261 2.364 1.355 626 2HH2 ARG 83 2HH2 ARG 83 -2.494 1.384 2.560 627 H CYS 84 H CYS 84 2.602 6.373 -4.224 628 HA CYS 84 HA CYS 84 5.124 6.829 -2.977 629 1HB CYS 84 2HB CYS 84 6.027 7.065 -5.143 630 2HB CYS 84 1HB CYS 84 4.700 5.923 -5.339 631 HG CYS 84 HG CYS 84 3.352 7.662 -6.586 632 H MET 85 H MET 85 2.548 8.962 -3.992 633 HA MET 85 HA MET 85 4.183 11.359 -3.844 634 1HB MET 85 2HB MET 85 1.391 10.711 -4.597 635 2HB MET 85 1HB MET 85 1.641 12.298 -3.870 636 1HG MET 85 2HG MET 85 3.573 11.434 -5.975 637 2HG MET 85 1HG MET 85 1.952 11.890 -6.498 638 1HE MET 85 1HE MET 85 5.076 13.049 -6.751 639 2HE MET 85 2HE MET 85 4.813 14.785 -6.899 640 3HE MET 85 3HE MET 85 3.825 13.668 -7.838 641 H LYS 86 H LYS 86 1.474 9.953 -1.976 642 HA LYS 86 HA LYS 86 2.444 11.425 0.394 643 1HB LYS 86 2HB LYS 86 0.392 12.495 -0.687 644 2HB LYS 86 1HB LYS 86 -0.491 11.050 -0.198 645 1HG LYS 86 2HG LYS 86 1.145 12.186 1.961 646 2HG LYS 86 1HG LYS 86 -0.099 13.291 1.379 647 1HD LYS 86 2HD LYS 86 -1.821 11.584 1.717 648 2HD LYS 86 1HD LYS 86 -0.595 10.417 2.214 649 1HE LYS 86 2HE LYS 86 -1.398 11.214 4.270 650 2HE LYS 86 1HE LYS 86 0.035 12.208 4.009 651 1HZ LYS 86 1HZ LYS 86 -1.961 13.481 4.676 652 2HZ LYS 86 2HZ LYS 86 -2.714 13.012 3.227 653 3HZ LYS 86 3HZ LYS 86 -1.316 13.978 3.189 654 H ASP 87 H ASP 87 3.194 9.859 1.655 655 HA ASP 87 HA ASP 87 1.477 7.992 2.918 656 1HB ASP 87 2HB ASP 87 1.902 6.946 0.563 657 2HB ASP 87 1HB ASP 87 3.510 6.591 1.188 658 H ASP 88 H ASP 88 2.762 9.559 4.346 659 HA ASP 88 HA ASP 88 4.877 8.060 5.625 660 1HB ASP 88 2HB ASP 88 5.971 9.436 3.717 661 2HB ASP 88 1HB ASP 88 5.642 10.836 4.738 662 H SER 89 HN SER 89 3.657 11.418 5.403 663 HA SER 89 HA SER 89 2.715 12.815 6.957 664 1HB SER 89 2HB SER 89 1.532 10.525 7.542 665 2HB SER 89 1HB SER 89 2.514 10.644 8.999 666 HG SER 89 HG SER 89 0.939 11.907 9.622 Start of MODEL 33 1 1H MET 1 1H MET 1 -4.921 7.464 10.172 2 2H MET 1 2H MET 1 -5.534 8.703 11.157 3 3H MET 1 3H MET 1 -4.298 9.035 10.039 4 HA MET 1 HA MET 1 -6.933 8.011 9.177 5 1HB MET 1 2HB MET 1 -7.377 10.489 8.601 6 2HB MET 1 1HB MET 1 -7.577 10.003 10.283 7 1HG MET 1 2HG MET 1 -5.744 11.191 10.988 8 2HG MET 1 1HG MET 1 -4.862 10.930 9.485 9 1HE MET 1 1HE MET 1 -4.217 13.110 10.419 10 2HE MET 1 2HE MET 1 -5.427 14.226 11.045 11 3HE MET 1 3HE MET 1 -4.672 14.540 9.484 12 H ASN 2 H ASN 2 -6.411 7.114 7.293 13 HA ASN 2 HA ASN 2 -4.636 8.615 5.452 14 1HB ASN 2 2HB ASN 2 -4.971 5.612 5.695 15 2HB ASN 2 1HB ASN 2 -3.988 6.432 4.482 16 1HD2 ASN 2 1HD2 ASN 2 -4.361 6.245 8.066 17 2HD2 ASN 2 2HD2 ASN 2 -2.706 6.445 8.392 18 H ASP 3 H ASP 3 -7.541 8.813 5.774 19 HA ASP 3 HA ASP 3 -8.856 7.395 3.673 20 1HB ASP 3 2HB ASP 3 -9.589 9.835 5.287 21 2HB ASP 3 1HB ASP 3 -10.623 9.222 3.995 22 H ILE 4 H ILE 4 -6.950 10.306 3.768 23 HA ILE 4 HA ILE 4 -7.906 11.658 1.512 24 HB ILE 4 HB ILE 4 -5.825 12.824 1.400 25 1HG1 ILE 4 2HG1 ILE 4 -4.405 10.701 1.502 26 2HG1 ILE 4 1HG1 ILE 4 -3.768 12.093 2.367 27 1HG2 ILE 4 1HG2 ILE 4 -5.570 13.589 3.677 28 2HG2 ILE 4 2HG2 ILE 4 -6.265 12.097 4.307 29 3HG2 ILE 4 3HG2 ILE 4 -7.272 13.224 3.399 30 1HD1 ILE 4 1HD1 ILE 4 -3.501 10.300 3.882 31 2HD1 ILE 4 2HD1 ILE 4 -5.085 9.626 3.500 32 3HD1 ILE 4 3HD1 ILE 4 -4.961 11.112 4.442 33 H TYR 5 H TYR 5 -5.917 8.789 1.739 34 HA TYR 5 HA TYR 5 -4.819 8.720 -0.853 35 1HB TYR 5 2HB TYR 5 -5.564 6.588 1.139 36 2HB TYR 5 1HB TYR 5 -5.011 6.143 -0.475 37 HD1 TYR 5 HD1 TYR 5 -4.057 8.581 2.224 38 HD2 TYR 5 HD2 TYR 5 -2.734 5.736 -0.707 39 HE1 TYR 5 HE1 TYR 5 -1.717 8.958 2.922 40 HE2 TYR 5 HE2 TYR 5 -0.387 6.112 -0.005 41 HH TYR 5 HH TYR 5 0.633 7.124 2.562 42 H LYS 6 H LYS 6 -7.931 7.573 0.411 43 HA LYS 6 HA LYS 6 -8.862 6.438 -2.039 44 1HB LYS 6 2HB LYS 6 -9.727 6.270 0.512 45 2HB LYS 6 1HB LYS 6 -10.857 7.476 -0.103 46 1HG LYS 6 2HG LYS 6 -12.012 5.588 -0.730 47 2HG LYS 6 1HG LYS 6 -10.974 5.738 -2.147 48 1HD LYS 6 2HD LYS 6 -10.687 3.488 -1.518 49 2HD LYS 6 1HD LYS 6 -9.292 4.286 -0.791 50 1HE LYS 6 2HE LYS 6 -10.061 3.082 1.034 51 2HE LYS 6 1HE LYS 6 -10.954 4.585 1.260 52 1HZ LYS 6 1HZ LYS 6 -12.427 2.705 1.445 53 2HZ LYS 6 2HZ LYS 6 -11.957 2.132 -0.083 54 3HZ LYS 6 3HZ LYS 6 -12.819 3.591 0.053 55 H ALA 7 H ALA 7 -9.110 9.645 -0.565 56 HA ALA 7 HA ALA 7 -11.062 10.715 -2.311 57 1HB ALA 7 1HB ALA 7 -10.067 12.940 -1.646 58 2HB ALA 7 2HB ALA 7 -8.856 12.042 -0.729 59 3HB ALA 7 3HB ALA 7 -10.560 11.914 -0.298 60 H ALA 8 H ALA 8 -7.615 10.165 -2.692 61 HA ALA 8 HA ALA 8 -7.227 11.944 -4.902 62 1HB ALA 8 1HB ALA 8 -5.298 11.244 -3.635 63 2HB ALA 8 2HB ALA 8 -5.141 10.605 -5.271 64 3HB ALA 8 3HB ALA 8 -5.646 9.545 -3.955 65 H VAL 9 H VAL 9 -7.807 8.438 -4.620 66 HA VAL 9 HA VAL 9 -7.826 7.993 -7.451 67 HB VAL 9 HB VAL 9 -7.372 6.254 -5.666 68 1HG1 VAL 9 1HG1 VAL 9 -9.439 5.083 -4.811 69 2HG1 VAL 9 2HG1 VAL 9 -10.380 6.460 -5.381 70 3HG1 VAL 9 3HG1 VAL 9 -9.161 6.681 -4.125 71 1HG2 VAL 9 1HG2 VAL 9 -7.874 5.738 -8.074 72 2HG2 VAL 9 2HG2 VAL 9 -9.574 5.561 -7.638 73 3HG2 VAL 9 3HG2 VAL 9 -8.372 4.458 -6.967 74 H GLU 10 H GLU 10 -10.150 9.116 -5.137 75 HA GLU 10 HA GLU 10 -12.476 8.564 -6.779 76 1HB GLU 10 2HB GLU 10 -12.031 10.025 -4.182 77 2HB GLU 10 1HB GLU 10 -13.574 10.114 -5.028 78 1HG GLU 10 2HG GLU 10 -13.864 7.723 -4.906 79 2HG GLU 10 1HG GLU 10 -12.223 7.503 -4.297 80 H GLN 11 H GLN 11 -10.117 11.113 -6.476 81 HA GLN 11 HA GLN 11 -11.811 12.850 -8.177 82 1HB GLN 11 2HB GLN 11 -11.018 14.769 -7.098 83 2HB GLN 11 1HB GLN 11 -11.239 13.628 -5.773 84 1HG GLN 11 2HG GLN 11 -8.699 13.024 -6.376 85 2HG GLN 11 1HG GLN 11 -8.711 14.682 -6.971 86 1HE2 GLN 11 1HE2 GLN 11 -10.603 15.731 -4.969 87 2HE2 GLN 11 2HE2 GLN 11 -9.788 15.726 -3.482 88 H LEU 12 H LEU 12 -9.532 10.755 -8.722 89 HA LEU 12 HA LEU 12 -7.396 12.283 -9.871 90 1HB LEU 12 2HB LEU 12 -6.980 10.053 -11.131 91 2HB LEU 12 1HB LEU 12 -6.688 10.150 -9.411 92 HG LEU 12 HG LEU 12 -8.717 8.942 -8.939 93 1HD1 LEU 12 1HD1 LEU 12 -10.036 8.042 -10.966 94 2HD1 LEU 12 2HD1 LEU 12 -9.240 9.317 -11.888 95 3HD1 LEU 12 3HD1 LEU 12 -10.285 9.732 -10.528 96 1HD2 LEU 12 1HD2 LEU 12 -6.991 7.789 -11.131 97 2HD2 LEU 12 2HD2 LEU 12 -8.263 6.841 -10.361 98 3HD2 LEU 12 3HD2 LEU 12 -6.922 7.463 -9.399 99 H THR 13 H THR 13 -6.819 11.899 -12.263 100 HA THR 13 HA THR 13 -9.070 12.897 -13.848 101 HB THR 13 HB THR 13 -6.952 12.805 -15.579 102 HG1 THR 13 HG1 THR 13 -5.455 12.148 -14.117 103 1HG2 THR 13 1HG2 THR 13 -7.244 15.043 -15.554 104 2HG2 THR 13 2HG2 THR 13 -6.910 15.161 -13.826 105 3HG2 THR 13 3HG2 THR 13 -8.523 14.715 -14.386 106 H ASP 14 H ASP 14 -9.128 12.118 -16.195 107 HA ASP 14 HA ASP 14 -9.658 9.294 -16.205 108 1HB ASP 14 2HB ASP 14 -10.817 11.156 -17.607 109 2HB ASP 14 1HB ASP 14 -9.444 10.969 -18.696 110 H GLU 15 H GLU 15 -7.060 11.400 -17.233 111 HA GLU 15 HA GLU 15 -5.638 9.585 -18.871 112 1HB GLU 15 2HB GLU 15 -3.753 11.088 -18.600 113 2HB GLU 15 1HB GLU 15 -5.225 12.034 -18.800 114 1HG GLU 15 2HG GLU 15 -4.721 13.111 -16.891 115 2HG GLU 15 1HG GLU 15 -4.984 11.601 -16.025 116 H GLN 16 H GLN 16 -5.796 10.046 -15.394 117 HA GLN 16 HA GLN 16 -3.515 8.391 -14.779 118 1HB GLN 16 2HB GLN 16 -5.614 9.825 -13.236 119 2HB GLN 16 1HB GLN 16 -4.886 8.418 -12.463 120 1HG GLN 16 2HG GLN 16 -2.751 9.357 -12.448 121 2HG GLN 16 1HG GLN 16 -3.117 10.451 -13.782 122 1HE2 GLN 16 1HE2 GLN 16 -4.636 9.848 -10.551 123 2HE2 GLN 16 2HE2 GLN 16 -4.675 11.487 -10.113 124 H LYS 17 H LYS 17 -7.042 7.996 -14.842 125 HA LYS 17 HA LYS 17 -7.199 5.378 -13.810 126 1HB LYS 17 2HB LYS 17 -8.957 6.845 -15.791 127 2HB LYS 17 1HB LYS 17 -9.340 5.242 -15.165 128 1HG LYS 17 2HG LYS 17 -9.726 6.022 -13.010 129 2HG LYS 17 1HG LYS 17 -8.681 7.427 -13.221 130 1HD LYS 17 2HD LYS 17 -10.863 8.337 -13.263 131 2HD LYS 17 1HD LYS 17 -10.419 8.219 -14.965 132 1HE LYS 17 2HE LYS 17 -11.571 5.965 -15.015 133 2HE LYS 17 1HE LYS 17 -12.172 6.313 -13.395 134 1HZ LYS 17 1HZ LYS 17 -13.761 6.930 -15.130 135 2HZ LYS 17 2HZ LYS 17 -12.631 8.014 -15.788 136 3HZ LYS 17 3HZ LYS 17 -13.261 8.278 -14.232 137 H ASN 18 H ASN 18 -6.756 6.591 -17.117 138 HA ASN 18 HA ASN 18 -6.607 3.939 -18.271 139 1HB ASN 18 2HB ASN 18 -6.308 6.739 -19.304 140 2HB ASN 18 1HB ASN 18 -5.712 5.389 -20.271 141 1HD2 ASN 18 1HD2 ASN 18 -8.644 6.839 -18.884 142 2HD2 ASN 18 2HD2 ASN 18 -9.735 5.919 -19.804 143 H GLU 19 H GLU 19 -4.391 6.218 -16.864 144 HA GLU 19 HA GLU 19 -1.971 5.557 -18.089 145 1HB GLU 19 2HB GLU 19 -2.440 7.362 -16.315 146 2HB GLU 19 1HB GLU 19 -2.221 6.081 -15.127 147 1HG GLU 19 2HG GLU 19 0.029 5.713 -15.776 148 2HG GLU 19 1HG GLU 19 -0.170 6.626 -17.273 149 H PHE 20 H PHE 20 -3.372 4.178 -15.104 150 HA PHE 20 HA PHE 20 -1.414 2.043 -15.047 151 1HB PHE 20 2HB PHE 20 -3.760 2.810 -13.337 152 2HB PHE 20 1HB PHE 20 -2.989 1.237 -13.150 153 HD1 PHE 20 HD1 PHE 20 -2.542 4.884 -12.831 154 HD2 PHE 20 HD2 PHE 20 -0.708 1.037 -12.321 155 HE1 PHE 20 HE1 PHE 20 -0.741 5.922 -11.480 156 HE2 PHE 20 HE2 PHE 20 1.085 2.062 -10.964 157 HZ PHE 20 HZ PHE 20 1.076 4.512 -10.543 158 H LYS 21 H LYS 21 -4.905 2.345 -15.719 159 HA LYS 21 HA LYS 21 -5.562 -0.344 -15.986 160 1HB LYS 21 2HB LYS 21 -7.235 1.441 -16.034 161 2HB LYS 21 1HB LYS 21 -6.634 1.981 -17.598 162 1HG LYS 21 2HG LYS 21 -7.299 -0.892 -17.485 163 2HG LYS 21 1HG LYS 21 -8.679 0.178 -17.250 164 1HD LYS 21 2HD LYS 21 -6.763 0.768 -19.481 165 2HD LYS 21 1HD LYS 21 -7.938 -0.530 -19.691 166 1HE LYS 21 2HE LYS 21 -8.822 2.169 -18.690 167 2HE LYS 21 1HE LYS 21 -8.604 1.888 -20.416 168 1HZ LYS 21 1HZ LYS 21 -10.100 -0.049 -20.195 169 2HZ LYS 21 2HZ LYS 21 -10.860 1.428 -19.837 170 3HZ LYS 21 3HZ LYS 21 -10.390 0.386 -18.581 171 H ALA 22 H ALA 22 -3.886 1.759 -18.282 172 HA ALA 22 HA ALA 22 -4.082 0.113 -20.575 173 1HB ALA 22 1HB ALA 22 -1.934 2.070 -19.730 174 2HB ALA 22 2HB ALA 22 -3.292 2.384 -20.811 175 3HB ALA 22 3HB ALA 22 -1.994 1.300 -21.316 176 H ALA 23 H ALA 23 -1.408 0.438 -18.230 177 HA ALA 23 HA ALA 23 0.096 -1.769 -19.198 178 1HB ALA 23 1HB ALA 23 1.397 -1.556 -17.163 179 2HB ALA 23 2HB ALA 23 0.125 -0.600 -16.402 180 3HB ALA 23 3HB ALA 23 1.030 0.060 -17.765 181 H PHE 24 H PHE 24 -2.405 -1.392 -16.756 182 HA PHE 24 HA PHE 24 -2.234 -3.906 -15.504 183 1HB PHE 24 2HB PHE 24 -3.639 -1.853 -14.833 184 2HB PHE 24 1HB PHE 24 -4.825 -2.436 -15.997 185 HD1 PHE 24 HD1 PHE 24 -5.695 -4.835 -15.745 186 HD2 PHE 24 HD2 PHE 24 -3.498 -2.798 -12.672 187 HE1 PHE 24 HE1 PHE 24 -6.548 -6.444 -14.066 188 HE2 PHE 24 HE2 PHE 24 -4.349 -4.403 -10.996 189 HZ PHE 24 HZ PHE 24 -5.878 -6.220 -11.688 190 H ASP 25 H ASP 25 -4.159 -2.821 -18.302 191 HA ASP 25 HA ASP 25 -5.521 -5.250 -18.761 192 1HB ASP 25 2HB ASP 25 -5.926 -2.884 -19.764 193 2HB ASP 25 1HB ASP 25 -4.790 -3.401 -21.010 194 H ILE 26 H ILE 26 -2.419 -4.067 -20.069 195 HA ILE 26 HA ILE 26 -2.092 -6.297 -21.844 196 HB ILE 26 HB ILE 26 0.252 -5.493 -22.093 197 1HG1 ILE 26 2HG1 ILE 26 -0.614 -3.371 -20.099 198 2HG1 ILE 26 1HG1 ILE 26 0.534 -4.664 -19.758 199 1HG2 ILE 26 1HG2 ILE 26 -1.860 -3.320 -22.220 200 2HG2 ILE 26 2HG2 ILE 26 -1.617 -4.571 -23.440 201 3HG2 ILE 26 3HG2 ILE 26 -0.362 -3.368 -23.148 202 1HD1 ILE 26 1HD1 ILE 26 2.045 -3.817 -21.487 203 2HD1 ILE 26 2HD1 ILE 26 1.670 -2.533 -20.338 204 3HD1 ILE 26 3HD1 ILE 26 0.882 -2.561 -21.915 205 H PHE 27 H PHE 27 -0.945 -5.578 -18.556 206 HA PHE 27 HA PHE 27 0.745 -7.889 -18.398 207 1HB PHE 27 2HB PHE 27 -0.378 -6.063 -16.267 208 2HB PHE 27 1HB PHE 27 0.704 -7.412 -15.914 209 HD1 PHE 27 HD1 PHE 27 2.560 -7.373 -18.199 210 HD2 PHE 27 HD2 PHE 27 0.907 -4.108 -15.947 211 HE1 PHE 27 HE1 PHE 27 4.497 -5.962 -18.821 212 HE2 PHE 27 HE2 PHE 27 2.845 -2.699 -16.573 213 HZ PHE 27 HZ PHE 27 4.642 -3.623 -18.009 214 H ILE 28 H ILE 28 -2.654 -7.266 -17.623 215 HA ILE 28 HA ILE 28 -2.914 -9.958 -16.471 216 HB ILE 28 HB ILE 28 -5.163 -9.358 -15.839 217 1HG1 ILE 28 2HG1 ILE 28 -5.680 -6.764 -16.394 218 2HG1 ILE 28 1HG1 ILE 28 -4.742 -7.180 -17.830 219 1HG2 ILE 28 1HG2 ILE 28 -2.983 -8.317 -14.717 220 2HG2 ILE 28 2HG2 ILE 28 -4.601 -7.882 -14.165 221 3HG2 ILE 28 3HG2 ILE 28 -3.724 -6.809 -15.252 222 1HD1 ILE 28 1HD1 ILE 28 -7.355 -7.571 -17.789 223 2HD1 ILE 28 2HD1 ILE 28 -6.907 -9.047 -16.932 224 3HD1 ILE 28 3HD1 ILE 28 -6.290 -8.749 -18.559 225 H GLN 29 H GLN 29 -2.739 -8.858 -19.516 226 HA GLN 29 HA GLN 29 -4.978 -9.687 -20.927 227 1HB GLN 29 2HB GLN 29 -3.124 -8.543 -22.013 228 2HB GLN 29 1HB GLN 29 -2.059 -9.913 -21.704 229 1HG GLN 29 2HG GLN 29 -3.389 -11.342 -23.146 230 2HG GLN 29 1HG GLN 29 -4.592 -10.069 -23.362 231 1HE2 GLN 29 1HE2 GLN 29 -3.517 -7.890 -24.230 232 2HE2 GLN 29 2HE2 GLN 29 -2.383 -8.095 -25.476 233 H ASP 30 H ASP 30 -2.269 -11.615 -19.711 234 HA ASP 30 HA ASP 30 -3.640 -14.080 -20.598 235 1HB ASP 30 2HB ASP 30 -0.749 -13.486 -19.970 236 2HB ASP 30 1HB ASP 30 -1.362 -15.134 -20.098 237 H ALA 31 H ALA 31 -4.175 -12.410 -18.110 238 HA ALA 31 HA ALA 31 -3.471 -14.337 -16.001 239 1HB ALA 31 1HB ALA 31 -4.782 -11.618 -15.733 240 2HB ALA 31 2HB ALA 31 -3.049 -11.910 -15.585 241 3HB ALA 31 3HB ALA 31 -4.167 -12.626 -14.423 242 H GLU 32 H GLU 32 -5.119 -15.087 -14.544 243 HA GLU 32 HA GLU 32 -7.793 -15.234 -15.812 244 1HB GLU 32 2HB GLU 32 -6.283 -17.283 -14.184 245 2HB GLU 32 1HB GLU 32 -8.001 -17.424 -14.560 246 1HG GLU 32 2HG GLU 32 -7.623 -17.784 -16.815 247 2HG GLU 32 1HG GLU 32 -6.114 -16.870 -16.815 248 H ASP 33 H ASP 33 -6.552 -13.392 -13.609 249 HA ASP 33 HA ASP 33 -8.854 -13.649 -11.784 250 1HB ASP 33 2HB ASP 33 -5.970 -13.337 -10.928 251 2HB ASP 33 1HB ASP 33 -7.352 -13.114 -9.856 252 H GLY 34 H GLY 34 -7.577 -11.720 -14.001 253 1HA GLY 34 2HA GLY 34 -7.583 -9.459 -14.433 254 2HA GLY 34 1HA GLY 34 -8.851 -9.369 -13.216 255 H CYS 35 H CYS 35 -5.401 -10.224 -12.966 256 HA CYS 35 HA CYS 35 -4.825 -7.799 -11.430 257 1HB CYS 35 2HB CYS 35 -4.461 -10.585 -10.291 258 2HB CYS 35 1HB CYS 35 -3.807 -9.112 -9.577 259 HG CYS 35 HG CYS 35 -6.752 -9.989 -9.494 260 H ILE 36 H ILE 36 -2.639 -7.240 -11.466 261 HA ILE 36 HA ILE 36 -1.052 -8.650 -13.474 262 HB ILE 36 HB ILE 36 0.430 -6.802 -13.465 263 1HG1 ILE 36 2HG1 ILE 36 -0.277 -5.007 -11.495 264 2HG1 ILE 36 1HG1 ILE 36 -0.455 -6.553 -10.665 265 1HG2 ILE 36 1HG2 ILE 36 -1.790 -6.281 -14.416 266 2HG2 ILE 36 2HG2 ILE 36 -1.043 -4.850 -13.706 267 3HG2 ILE 36 3HG2 ILE 36 -2.325 -5.698 -12.839 268 1HD1 ILE 36 1HD1 ILE 36 1.830 -7.189 -11.312 269 2HD1 ILE 36 2HD1 ILE 36 1.851 -5.654 -10.446 270 3HD1 ILE 36 3HD1 ILE 36 2.012 -5.678 -12.202 271 H SER 37 H SER 37 1.298 -9.079 -12.980 272 HA SER 37 HA SER 37 1.441 -10.540 -10.444 273 1HB SER 37 2HB SER 37 2.122 -11.680 -12.541 274 2HB SER 37 1HB SER 37 3.400 -10.488 -12.755 275 HG SER 37 HG SER 37 3.376 -12.698 -11.237 276 H THR 38 H THR 38 2.203 -9.520 -8.723 277 HA THR 38 HA THR 38 3.523 -7.059 -8.647 278 HB THR 38 HB THR 38 4.188 -7.646 -6.340 279 HG1 THR 38 HG1 THR 38 4.597 -9.670 -6.035 280 1HG2 THR 38 1HG2 THR 38 1.427 -8.236 -7.344 281 2HG2 THR 38 2HG2 THR 38 1.990 -6.889 -6.355 282 3HG2 THR 38 3HG2 THR 38 1.794 -8.487 -5.638 283 H LYS 39 H LYS 39 4.787 -10.324 -8.943 284 HA LYS 39 HA LYS 39 7.550 -9.723 -8.578 285 1HB LYS 39 2HB LYS 39 6.373 -11.964 -10.244 286 2HB LYS 39 1HB LYS 39 7.982 -11.905 -9.528 287 1HG LYS 39 2HG LYS 39 7.212 -12.369 -7.410 288 2HG LYS 39 1HG LYS 39 5.671 -11.558 -7.681 289 1HD LYS 39 2HD LYS 39 4.971 -13.767 -7.687 290 2HD LYS 39 1HD LYS 39 5.302 -13.539 -9.405 291 1HE LYS 39 2HE LYS 39 6.515 -15.471 -9.053 292 2HE LYS 39 1HE LYS 39 7.755 -14.284 -8.649 293 1HZ LYS 39 1HZ LYS 39 7.127 -14.477 -6.321 294 2HZ LYS 39 2HZ LYS 39 7.587 -15.987 -6.950 295 3HZ LYS 39 3HZ LYS 39 5.943 -15.628 -6.714 296 H GLU 40 H GLU 40 5.363 -9.654 -11.337 297 HA GLU 40 HA GLU 40 7.558 -8.969 -13.168 298 1HB GLU 40 2HB GLU 40 4.623 -9.523 -13.667 299 2HB GLU 40 1HB GLU 40 5.781 -9.087 -14.923 300 1HG GLU 40 2HG GLU 40 6.235 -11.432 -13.070 301 2HG GLU 40 1HG GLU 40 5.353 -11.595 -14.588 302 H LEU 41 H LEU 41 6.351 -7.160 -10.969 303 HA LEU 41 HA LEU 41 5.005 -5.050 -12.351 304 1HB LEU 41 2HB LEU 41 5.101 -5.610 -9.792 305 2HB LEU 41 1HB LEU 41 6.518 -4.581 -9.819 306 HG LEU 41 HG LEU 41 4.165 -3.409 -11.143 307 1HD1 LEU 41 1HD1 LEU 41 3.344 -4.811 -9.067 308 2HD1 LEU 41 2HD1 LEU 41 2.767 -3.158 -9.296 309 3HD1 LEU 41 3HD1 LEU 41 4.062 -3.490 -8.144 310 1HD2 LEU 41 1HD2 LEU 41 6.148 -2.537 -9.021 311 2HD2 LEU 41 2HD2 LEU 41 4.881 -1.492 -9.665 312 3HD2 LEU 41 3HD2 LEU 41 6.152 -2.095 -10.729 313 H GLY 42 H GLY 42 8.273 -6.025 -12.301 314 1HA GLY 42 2HA GLY 42 9.665 -3.581 -12.397 315 2HA GLY 42 1HA GLY 42 10.186 -5.078 -13.169 316 H LYS 43 H LYS 43 7.878 -5.395 -14.853 317 HA LYS 43 HA LYS 43 8.648 -3.771 -17.085 318 1HB LYS 43 2HB LYS 43 6.267 -5.609 -16.720 319 2HB LYS 43 1HB LYS 43 6.757 -4.877 -18.248 320 1HG LYS 43 2HG LYS 43 8.955 -6.002 -18.077 321 2HG LYS 43 1HG LYS 43 8.446 -6.753 -16.564 322 1HD LYS 43 2HD LYS 43 6.508 -7.775 -17.820 323 2HD LYS 43 1HD LYS 43 7.237 -7.175 -19.310 324 1HE LYS 43 2HE LYS 43 8.818 -8.868 -17.375 325 2HE LYS 43 1HE LYS 43 7.786 -9.606 -18.599 326 1HZ LYS 43 1HZ LYS 43 9.959 -9.403 -19.500 327 2HZ LYS 43 2HZ LYS 43 10.074 -7.770 -19.049 328 3HZ LYS 43 3HZ LYS 43 8.993 -8.242 -20.271 329 H VAL 44 H VAL 44 6.443 -3.342 -14.484 330 HA VAL 44 HA VAL 44 4.669 -1.506 -15.859 331 HB VAL 44 HB VAL 44 4.948 -1.880 -12.869 332 1HG1 VAL 44 1HG1 VAL 44 2.544 -1.140 -14.552 333 2HG1 VAL 44 2HG1 VAL 44 3.631 0.055 -13.842 334 3HG1 VAL 44 3HG1 VAL 44 2.710 -1.026 -12.801 335 1HG2 VAL 44 1HG2 VAL 44 4.549 -4.030 -14.320 336 2HG2 VAL 44 2HG2 VAL 44 2.933 -3.356 -14.550 337 3HG2 VAL 44 3HG2 VAL 44 3.509 -3.728 -12.927 338 H MET 45 H MET 45 7.193 -1.344 -13.353 339 HA MET 45 HA MET 45 7.194 1.414 -12.921 340 1HB MET 45 2HB MET 45 8.787 -0.772 -12.114 341 2HB MET 45 1HB MET 45 9.894 0.400 -12.831 342 1HG MET 45 2HG MET 45 9.801 1.302 -10.720 343 2HG MET 45 1HG MET 45 8.370 2.088 -11.384 344 1HE MET 45 1HE MET 45 5.461 0.890 -9.923 345 2HE MET 45 2HE MET 45 6.427 2.027 -10.858 346 3HE MET 45 3HE MET 45 6.434 2.116 -9.099 347 H ARG 46 H ARG 46 8.969 -0.504 -15.351 348 HA ARG 46 HA ARG 46 10.483 1.631 -16.428 349 1HB ARG 46 2HB ARG 46 10.731 0.222 -18.446 350 2HB ARG 46 1HB ARG 46 11.038 -0.682 -16.965 351 1HG ARG 46 2HG ARG 46 8.999 -1.839 -17.098 352 2HG ARG 46 1HG ARG 46 8.288 -0.655 -18.192 353 1HD ARG 46 2HD ARG 46 9.974 -1.348 -19.923 354 2HD ARG 46 1HD ARG 46 10.483 -2.638 -18.839 355 HE ARG 46 HE ARG 46 7.717 -2.883 -19.132 356 1HH1 ARG 46 2HH1 ARG 46 10.570 -3.011 -21.144 357 2HH1 ARG 46 1HH1 ARG 46 9.874 -4.123 -22.273 358 1HH2 ARG 46 1HH2 ARG 46 6.828 -4.338 -20.622 359 2HH2 ARG 46 2HH2 ARG 46 7.761 -4.872 -21.979 360 H MET 47 H MET 47 7.171 0.595 -16.997 361 HA MET 47 HA MET 47 6.779 2.320 -19.291 362 1HB MET 47 2HB MET 47 4.851 0.750 -17.566 363 2HB MET 47 1HB MET 47 4.361 1.707 -18.963 364 1HG MET 47 2HG MET 47 6.493 -0.425 -19.161 365 2HG MET 47 1HG MET 47 4.783 -0.794 -19.375 366 1HE MET 47 1HE MET 47 7.232 -0.495 -22.582 367 2HE MET 47 2HE MET 47 7.465 -0.939 -20.893 368 3HE MET 47 3HE MET 47 7.996 0.642 -21.462 369 H LEU 48 H LEU 48 6.283 2.472 -15.814 370 HA LEU 48 HA LEU 48 4.643 4.837 -15.850 371 1HB LEU 48 2HB LEU 48 5.993 3.192 -13.768 372 2HB LEU 48 1HB LEU 48 5.577 4.839 -13.356 373 HG LEU 48 HG LEU 48 3.273 4.424 -13.492 374 1HD1 LEU 48 1HD1 LEU 48 4.104 2.208 -15.323 375 2HD1 LEU 48 2HD1 LEU 48 2.822 3.403 -15.518 376 3HD1 LEU 48 3HD1 LEU 48 2.590 2.029 -14.436 377 1HD2 LEU 48 1HD2 LEU 48 3.845 3.323 -11.525 378 2HD2 LEU 48 2HD2 LEU 48 4.831 2.123 -12.361 379 3HD2 LEU 48 3HD2 LEU 48 3.071 2.007 -12.412 380 H GLY 49 H GLY 49 8.083 4.155 -15.723 381 1HA GLY 49 2HA GLY 49 9.443 6.032 -16.696 382 2HA GLY 49 1HA GLY 49 8.627 7.067 -15.535 383 H GLN 50 H GLN 50 9.569 3.859 -14.509 384 HA GLN 50 HA GLN 50 11.984 4.927 -13.189 385 1HB GLN 50 2HB GLN 50 9.886 3.240 -11.804 386 2HB GLN 50 1HB GLN 50 11.376 3.855 -11.088 387 1HG GLN 50 2HG GLN 50 10.371 5.808 -10.598 388 2HG GLN 50 1HG GLN 50 9.941 6.035 -12.292 389 1HE2 GLN 50 1HE2 GLN 50 7.749 5.875 -12.813 390 2HE2 GLN 50 2HE2 GLN 50 6.561 5.255 -11.774 391 H ASN 51 H ASN 51 13.344 3.144 -12.253 392 HA ASN 51 HA ASN 51 12.971 0.508 -13.453 393 1HB ASN 51 2HB ASN 51 15.413 0.606 -14.302 394 2HB ASN 51 1HB ASN 51 14.171 1.392 -15.271 395 1HD2 ASN 51 1HD2 ASN 51 15.698 2.939 -16.181 396 2HD2 ASN 51 2HD2 ASN 51 16.349 4.196 -15.245 397 HA PRO 52 HA PRO 52 15.062 0.476 -9.314 398 1HB PRO 52 2HB PRO 52 13.061 -0.792 -7.950 399 2HB PRO 52 1HB PRO 52 13.144 0.962 -8.159 400 1HG PRO 52 2HG PRO 52 11.350 -0.999 -9.445 401 2HG PRO 52 1HG PRO 52 11.108 0.730 -9.156 402 1HD PRO 52 2HD PRO 52 11.861 -0.503 -11.616 403 2HD PRO 52 1HD PRO 52 11.803 1.241 -11.267 404 H THR 53 H THR 53 14.634 -1.762 -7.702 405 HA THR 53 HA THR 53 15.582 -3.978 -9.421 406 HB THR 53 HB THR 53 16.948 -4.698 -7.666 407 HG1 THR 53 HG1 THR 53 16.543 -3.857 -5.485 408 1HG2 THR 53 1HG2 THR 53 16.736 -1.718 -7.190 409 2HG2 THR 53 2HG2 THR 53 17.705 -2.482 -8.451 410 3HG2 THR 53 3HG2 THR 53 18.101 -2.742 -6.751 411 HA PRO 54 HA PRO 54 12.183 -6.483 -8.130 412 1HB PRO 54 2HB PRO 54 13.286 -8.864 -7.339 413 2HB PRO 54 1HB PRO 54 13.158 -8.341 -9.025 414 1HG PRO 54 2HG PRO 54 15.537 -8.413 -7.250 415 2HG PRO 54 1HG PRO 54 15.435 -8.583 -9.009 416 1HD PRO 54 2HD PRO 54 16.234 -6.273 -7.636 417 2HD PRO 54 1HD PRO 54 15.739 -6.335 -9.344 418 H GLU 55 H GLU 55 14.751 -6.238 -5.726 419 HA GLU 55 HA GLU 55 13.035 -7.070 -3.531 420 1HB GLU 55 2HB GLU 55 14.938 -6.471 -2.080 421 2HB GLU 55 1HB GLU 55 15.434 -7.551 -3.381 422 1HG GLU 55 2HG GLU 55 16.405 -5.736 -4.626 423 2HG GLU 55 1HG GLU 55 15.700 -4.537 -3.542 424 H GLU 56 H GLU 56 14.108 -4.080 -5.050 425 HA GLU 56 HA GLU 56 13.205 -2.326 -2.966 426 1HB GLU 56 2HB GLU 56 13.977 -1.928 -5.852 427 2HB GLU 56 1HB GLU 56 13.303 -0.609 -4.895 428 1HG GLU 56 2HG GLU 56 15.129 -1.326 -3.139 429 2HG GLU 56 1HG GLU 56 15.908 -2.063 -4.540 430 H LEU 57 H LEU 57 11.851 -3.366 -6.107 431 HA LEU 57 HA LEU 57 9.452 -1.870 -5.901 432 1HB LEU 57 2HB LEU 57 8.651 -3.140 -7.732 433 2HB LEU 57 1HB LEU 57 10.353 -2.861 -8.004 434 HG LEU 57 HG LEU 57 10.593 -5.265 -6.925 435 1HD1 LEU 57 1HD1 LEU 57 8.564 -6.141 -6.401 436 2HD1 LEU 57 2HD1 LEU 57 8.369 -6.379 -8.137 437 3HD1 LEU 57 3HD1 LEU 57 7.703 -4.941 -7.365 438 1HD2 LEU 57 1HD2 LEU 57 10.422 -6.208 -9.211 439 2HD2 LEU 57 2HD2 LEU 57 11.232 -4.642 -9.224 440 3HD2 LEU 57 3HD2 LEU 57 9.549 -4.767 -9.733 441 H GLN 58 H GLN 58 10.411 -5.048 -4.714 442 HA GLN 58 HA GLN 58 7.852 -6.058 -4.079 443 1HB GLN 58 2HB GLN 58 10.630 -6.716 -3.385 444 2HB GLN 58 1HB GLN 58 9.472 -7.104 -2.113 445 1HG GLN 58 2HG GLN 58 9.053 -7.900 -5.005 446 2HG GLN 58 1HG GLN 58 9.858 -8.943 -3.834 447 1HE2 GLN 58 1HE2 GLN 58 6.742 -7.675 -4.849 448 2HE2 GLN 58 2HE2 GLN 58 5.812 -8.551 -3.731 449 H GLU 59 H GLU 59 10.022 -3.865 -2.348 450 HA GLU 59 HA GLU 59 8.733 -3.858 0.163 451 1HB GLU 59 2HB GLU 59 10.239 -1.647 -1.262 452 2HB GLU 59 1HB GLU 59 9.718 -1.564 0.420 453 1HG GLU 59 2HG GLU 59 11.305 -3.942 -0.490 454 2HG GLU 59 1HG GLU 59 12.145 -2.424 -0.175 455 H MET 60 H MET 60 8.124 -2.043 -2.815 456 HA MET 60 HA MET 60 6.077 -0.354 -1.775 457 1HB MET 60 2HB MET 60 6.391 -1.276 -4.642 458 2HB MET 60 1HB MET 60 5.553 0.169 -4.073 459 1HG MET 60 2HG MET 60 7.852 0.803 -3.022 460 2HG MET 60 1HG MET 60 8.510 -0.392 -4.140 461 1HE MET 60 1HE MET 60 8.733 3.009 -3.825 462 2HE MET 60 2HE MET 60 6.998 2.981 -3.521 463 3HE MET 60 3HE MET 60 7.627 3.862 -4.910 464 H ILE 61 H ILE 61 6.122 -3.542 -3.259 465 HA ILE 61 HA ILE 61 3.315 -3.870 -3.557 466 HB ILE 61 HB ILE 61 5.534 -5.906 -3.231 467 1HG1 ILE 61 2HG1 ILE 61 5.681 -4.518 -5.265 468 2HG1 ILE 61 1HG1 ILE 61 5.250 -6.176 -5.674 469 1HG2 ILE 61 1HG2 ILE 61 2.598 -6.257 -3.879 470 2HG2 ILE 61 2HG2 ILE 61 3.514 -7.009 -2.573 471 3HG2 ILE 61 3HG2 ILE 61 3.814 -7.480 -4.245 472 1HD1 ILE 61 1HD1 ILE 61 2.779 -5.010 -5.283 473 2HD1 ILE 61 2HD1 ILE 61 3.548 -5.247 -6.851 474 3HD1 ILE 61 3HD1 ILE 61 3.703 -3.700 -6.018 475 H ASP 62 H ASP 62 5.581 -4.739 -0.965 476 HA ASP 62 HA ASP 62 3.785 -6.094 0.714 477 1HB ASP 62 2HB ASP 62 6.360 -4.627 1.183 478 2HB ASP 62 1HB ASP 62 5.420 -5.209 2.557 479 H GLU 63 H GLU 63 4.591 -2.614 0.555 480 HA GLU 63 HA GLU 63 2.835 -1.984 2.762 481 1HB GLU 63 2HB GLU 63 3.498 0.294 2.451 482 2HB GLU 63 1HB GLU 63 4.928 -0.714 2.247 483 1HG GLU 63 2HG GLU 63 4.480 -0.641 -0.255 484 2HG GLU 63 1HG GLU 63 3.284 0.610 0.081 485 H VAL 64 H VAL 64 2.686 -1.541 -0.786 486 HA VAL 64 HA VAL 64 0.172 -0.185 -0.748 487 HB VAL 64 HB VAL 64 1.527 -1.698 -2.994 488 1HG1 VAL 64 1HG1 VAL 64 0.045 0.157 -4.233 489 2HG1 VAL 64 2HG1 VAL 64 -0.955 -0.053 -2.795 490 3HG1 VAL 64 3HG1 VAL 64 -0.604 -1.435 -3.831 491 1HG2 VAL 64 1HG2 VAL 64 2.708 0.279 -1.831 492 2HG2 VAL 64 2HG2 VAL 64 1.447 1.286 -2.548 493 3HG2 VAL 64 3HG2 VAL 64 2.534 0.361 -3.584 494 H ASP 65 H ASP 65 0.968 -3.454 -1.969 495 HA ASP 65 HA ASP 65 -1.684 -4.368 -2.157 496 1HB ASP 65 2HB ASP 65 0.843 -5.407 -2.723 497 2HB ASP 65 1HB ASP 65 0.202 -6.488 -1.492 498 H GLU 66 H GLU 66 -2.937 -4.008 -0.396 499 HA GLU 66 HA GLU 66 -2.243 -4.291 2.296 500 1HB GLU 66 2HB GLU 66 -4.679 -4.427 2.746 501 2HB GLU 66 1HB GLU 66 -4.265 -3.113 1.648 502 1HG GLU 66 2HG GLU 66 -4.842 -4.626 -0.279 503 2HG GLU 66 1HG GLU 66 -5.407 -5.820 0.889 504 H ASP 67 H ASP 67 -3.587 -6.703 0.065 505 HA ASP 67 HA ASP 67 -3.685 -8.715 2.171 506 1HB ASP 67 2HB ASP 67 -4.373 -10.232 0.208 507 2HB ASP 67 1HB ASP 67 -5.490 -8.956 0.684 508 H GLY 68 H GLY 68 -1.714 -7.949 -0.665 509 1HA GLY 68 2HA GLY 68 0.417 -8.635 -1.235 510 2HA GLY 68 1HA GLY 68 0.544 -9.362 0.365 511 H SER 69 H SER 69 -1.641 -9.934 -2.384 512 HA SER 69 HA SER 69 -1.349 -12.808 -2.061 513 1HB SER 69 2HB SER 69 -3.060 -12.903 -3.886 514 2HB SER 69 1HB SER 69 -3.573 -11.976 -2.478 515 HG SER 69 HG SER 69 -2.901 -11.130 -5.054 516 H GLY 70 H GLY 70 0.654 -10.689 -3.472 517 1HA GLY 70 2HA GLY 70 2.401 -11.029 -4.954 518 2HA GLY 70 1HA GLY 70 1.749 -12.628 -5.304 519 H THR 71 H THR 71 -0.619 -10.202 -5.517 520 HA THR 71 HA THR 71 -0.164 -9.684 -8.363 521 HB THR 71 HB THR 71 -2.341 -10.417 -9.032 522 HG1 THR 71 HG1 THR 71 -3.811 -10.158 -7.561 523 1HG2 THR 71 1HG2 THR 71 -0.710 -12.232 -8.852 524 2HG2 THR 71 2HG2 THR 71 -2.311 -12.824 -8.408 525 3HG2 THR 71 3HG2 THR 71 -1.124 -12.462 -7.152 526 H VAL 72 H VAL 72 -0.845 -7.686 -8.984 527 HA VAL 72 HA VAL 72 -1.951 -5.978 -6.859 528 HB VAL 72 HB VAL 72 -0.867 -5.082 -9.532 529 1HG1 VAL 72 1HG1 VAL 72 -1.343 -3.702 -6.873 530 2HG1 VAL 72 2HG1 VAL 72 -2.222 -3.423 -8.377 531 3HG1 VAL 72 3HG1 VAL 72 -0.525 -2.958 -8.248 532 1HG2 VAL 72 1HG2 VAL 72 0.936 -6.272 -8.450 533 2HG2 VAL 72 2HG2 VAL 72 0.558 -5.535 -6.892 534 3HG2 VAL 72 3HG2 VAL 72 1.219 -4.549 -8.197 535 H ASP 73 H ASP 73 -3.989 -5.394 -6.865 536 HA ASP 73 HA ASP 73 -5.712 -5.965 -9.149 537 1HB ASP 73 2HB ASP 73 -6.195 -4.934 -6.347 538 2HB ASP 73 1HB ASP 73 -7.463 -4.903 -7.571 539 H PHE 74 H PHE 74 -7.200 -4.177 -9.948 540 HA PHE 74 HA PHE 74 -5.691 -1.995 -10.860 541 1HB PHE 74 2HB PHE 74 -7.855 -2.840 -11.871 542 2HB PHE 74 1HB PHE 74 -8.700 -1.951 -10.602 543 HD1 PHE 74 HD1 PHE 74 -5.608 -1.161 -12.544 544 HD2 PHE 74 HD2 PHE 74 -9.645 -0.050 -11.601 545 HE1 PHE 74 HE1 PHE 74 -5.344 0.929 -13.859 546 HE2 PHE 74 HE2 PHE 74 -9.378 2.039 -12.911 547 HZ PHE 74 HZ PHE 74 -7.229 2.526 -14.040 548 H ASP 75 H ASP 75 -7.682 -2.371 -7.980 549 HA ASP 75 HA ASP 75 -7.726 0.394 -7.239 550 1HB ASP 75 2HB ASP 75 -8.141 -2.158 -5.665 551 2HB ASP 75 1HB ASP 75 -8.253 -0.557 -4.934 552 H GLU 76 H GLU 76 -5.664 -2.379 -6.384 553 HA GLU 76 HA GLU 76 -3.953 -0.914 -4.606 554 1HB GLU 76 2HB GLU 76 -3.359 -3.486 -6.104 555 2HB GLU 76 1HB GLU 76 -2.502 -2.875 -4.690 556 1HG GLU 76 2HG GLU 76 -4.553 -3.067 -3.342 557 2HG GLU 76 1HG GLU 76 -5.440 -3.638 -4.754 558 H PHE 77 H PHE 77 -4.097 -1.428 -8.053 559 HA PHE 77 HA PHE 77 -1.433 -0.750 -8.751 560 1HB PHE 77 2HB PHE 77 -3.484 -1.759 -10.146 561 2HB PHE 77 1HB PHE 77 -3.697 -0.070 -10.575 562 HD1 PHE 77 HD1 PHE 77 -3.262 -0.815 -12.913 563 HD2 PHE 77 HD2 PHE 77 -0.253 -1.088 -9.846 564 HE1 PHE 77 HE1 PHE 77 -1.507 -1.048 -14.638 565 HE2 PHE 77 HE2 PHE 77 1.488 -1.313 -11.583 566 HZ PHE 77 HZ PHE 77 0.863 -1.298 -13.983 567 H LEU 78 H LEU 78 -4.448 1.161 -8.790 568 HA LEU 78 HA LEU 78 -3.175 3.637 -9.422 569 1HB LEU 78 2HB LEU 78 -5.892 2.838 -8.462 570 2HB LEU 78 1HB LEU 78 -5.425 4.527 -8.385 571 HG LEU 78 HG LEU 78 -5.286 4.705 -10.745 572 1HD1 LEU 78 1HD1 LEU 78 -4.035 2.519 -11.014 573 2HD1 LEU 78 2HD1 LEU 78 -5.227 2.857 -12.269 574 3HD1 LEU 78 3HD1 LEU 78 -5.601 1.707 -10.983 575 1HD2 LEU 78 1HD2 LEU 78 -7.603 4.528 -9.857 576 2HD2 LEU 78 2HD2 LEU 78 -7.566 2.791 -10.164 577 3HD2 LEU 78 3HD2 LEU 78 -7.478 3.926 -11.511 578 H VAL 79 H VAL 79 -3.861 1.935 -6.435 579 HA VAL 79 HA VAL 79 -3.580 4.080 -4.611 580 HB VAL 79 HB VAL 79 -3.447 1.105 -4.456 581 1HG1 VAL 79 1HG1 VAL 79 -1.450 1.753 -3.187 582 2HG1 VAL 79 2HG1 VAL 79 -2.719 1.191 -2.096 583 3HG1 VAL 79 3HG1 VAL 79 -2.401 2.919 -2.263 584 1HG2 VAL 79 1HG2 VAL 79 -5.491 2.646 -4.144 585 2HG2 VAL 79 2HG2 VAL 79 -4.771 3.080 -2.594 586 3HG2 VAL 79 3HG2 VAL 79 -5.225 1.407 -2.919 587 H MET 80 H MET 80 -1.225 1.747 -5.908 588 HA MET 80 HA MET 80 1.080 2.445 -4.575 589 1HB MET 80 2HB MET 80 0.474 0.911 -6.810 590 2HB MET 80 1HB MET 80 1.570 2.139 -7.440 591 1HG MET 80 2HG MET 80 2.892 1.528 -5.183 592 2HG MET 80 1HG MET 80 2.073 -0.012 -5.443 593 1HE MET 80 1HE MET 80 2.277 -1.492 -7.489 594 2HE MET 80 2HE MET 80 3.131 -1.073 -8.972 595 3HE MET 80 3HE MET 80 1.706 -0.154 -8.495 596 H MET 81 H MET 81 -0.547 4.222 -7.155 597 HA MET 81 HA MET 81 1.542 6.028 -7.798 598 1HB MET 81 2HB MET 81 -0.672 5.590 -9.055 599 2HB MET 81 1HB MET 81 -1.385 6.736 -7.922 600 1HG MET 81 2HG MET 81 0.876 8.079 -8.710 601 2HG MET 81 1HG MET 81 0.437 7.222 -10.187 602 1HE MET 81 1HE MET 81 -2.432 6.745 -9.962 603 2HE MET 81 2HE MET 81 -1.971 7.544 -11.463 604 3HE MET 81 3HE MET 81 -3.341 8.149 -10.537 605 H VAL 82 H VAL 82 -1.327 6.456 -5.703 606 HA VAL 82 HA VAL 82 -0.497 8.988 -4.685 607 HB VAL 82 HB VAL 82 -2.255 8.635 -2.961 608 1HG1 VAL 82 1HG1 VAL 82 -4.147 8.321 -4.666 609 2HG1 VAL 82 2HG1 VAL 82 -2.877 8.089 -5.867 610 3HG1 VAL 82 3HG1 VAL 82 -2.999 9.617 -4.995 611 1HG2 VAL 82 1HG2 VAL 82 -1.878 6.124 -2.838 612 2HG2 VAL 82 2HG2 VAL 82 -2.757 5.997 -4.363 613 3HG2 VAL 82 3HG2 VAL 82 -3.569 6.621 -2.926 614 H ARG 83 H ARG 83 0.122 5.679 -3.715 615 HA ARG 83 HA ARG 83 0.961 6.051 -1.063 616 1HB ARG 83 2HB ARG 83 1.823 4.074 -3.177 617 2HB ARG 83 1HB ARG 83 2.440 4.023 -1.526 618 1HG ARG 83 2HG ARG 83 -0.470 4.295 -1.607 619 2HG ARG 83 1HG ARG 83 0.088 2.833 -2.421 620 1HD ARG 83 2HD ARG 83 0.895 1.901 -0.491 621 2HD ARG 83 1HD ARG 83 1.379 3.454 0.180 622 HE ARG 83 HE ARG 83 -1.470 3.230 0.075 623 1HH1 ARG 83 2HH1 ARG 83 1.356 2.158 1.827 624 2HH1 ARG 83 1HH1 ARG 83 0.501 1.923 3.313 625 1HH2 ARG 83 1HH2 ARG 83 -2.571 2.917 2.031 626 2HH2 ARG 83 2HH2 ARG 83 -1.719 2.351 3.429 627 H CYS 84 H CYS 84 2.662 6.522 -4.119 628 HA CYS 84 HA CYS 84 5.180 7.164 -2.792 629 1HB CYS 84 2HB CYS 84 4.896 6.013 -5.106 630 2HB CYS 84 1HB CYS 84 4.610 7.646 -5.707 631 HG CYS 84 HG CYS 84 7.267 6.793 -4.283 632 H MET 85 H MET 85 2.544 8.830 -4.472 633 HA MET 85 HA MET 85 3.693 11.402 -4.617 634 1HB MET 85 2HB MET 85 1.488 10.485 -5.666 635 2HB MET 85 1HB MET 85 0.750 11.003 -4.152 636 1HG MET 85 2HG MET 85 1.856 13.270 -4.538 637 2HG MET 85 1HG MET 85 2.229 12.708 -6.168 638 1HE MET 85 1HE MET 85 0.756 12.345 -7.986 639 2HE MET 85 2HE MET 85 -1.006 12.328 -7.981 640 3HE MET 85 3HE MET 85 -0.117 11.031 -7.186 641 H LYS 86 H LYS 86 1.522 9.980 -2.163 642 HA LYS 86 HA LYS 86 1.248 10.417 0.072 643 1HB LYS 86 2HB LYS 86 3.944 11.019 -0.380 644 2HB LYS 86 1HB LYS 86 3.303 12.422 0.470 645 1HG LYS 86 2HG LYS 86 3.900 11.012 2.238 646 2HG LYS 86 1HG LYS 86 2.185 10.650 2.034 647 1HD LYS 86 2HD LYS 86 3.164 8.512 2.115 648 2HD LYS 86 1HD LYS 86 3.006 8.807 0.384 649 1HE LYS 86 2HE LYS 86 5.218 8.178 0.413 650 2HE LYS 86 1HE LYS 86 5.435 9.893 0.757 651 1HZ LYS 86 1HZ LYS 86 6.662 8.536 2.321 652 2HZ LYS 86 2HZ LYS 86 5.242 7.723 2.778 653 3HZ LYS 86 3HZ LYS 86 5.427 9.377 3.123 654 H ASP 87 H ASP 87 0.533 12.119 1.554 655 HA ASP 87 HA ASP 87 -0.679 14.340 0.053 656 1HB ASP 87 2HB ASP 87 -1.878 12.626 1.744 657 2HB ASP 87 1HB ASP 87 -1.395 13.864 2.902 658 H ASP 88 H ASP 88 1.539 15.309 0.018 659 HA ASP 88 HA ASP 88 1.964 16.923 2.464 660 1HB ASP 88 2HB ASP 88 4.430 17.001 1.623 661 2HB ASP 88 1HB ASP 88 3.872 15.588 2.511 662 H SER 89 HN SER 89 0.291 18.027 0.839 663 HA SER 89 HA SER 89 -0.166 19.955 -0.311 664 1HB SER 89 2HB SER 89 1.801 20.789 1.135 665 2HB SER 89 1HB SER 89 2.773 20.623 -0.323 666 HG SER 89 HG SER 89 1.939 22.685 -0.284 Start of MODEL 34 1 1H MET 1 1H MET 1 -4.516 4.283 9.278 2 2H MET 1 2H MET 1 -6.072 4.875 8.937 3 3H MET 1 3H MET 1 -5.421 5.042 10.496 4 HA MET 1 HA MET 1 -5.406 7.095 9.034 5 1HB MET 1 2HB MET 1 -3.917 6.452 11.126 6 2HB MET 1 1HB MET 1 -2.630 6.367 9.925 7 1HG MET 1 2HG MET 1 -2.477 8.607 10.453 8 2HG MET 1 1HG MET 1 -3.693 8.709 9.180 9 1HE MET 1 1HE MET 1 -3.157 9.950 12.964 10 2HE MET 1 2HE MET 1 -2.795 8.253 12.655 11 3HE MET 1 3HE MET 1 -4.166 8.683 13.675 12 H ASN 2 H ASN 2 -5.567 5.355 6.957 13 HA ASN 2 HA ASN 2 -3.379 6.255 5.224 14 1HB ASN 2 2HB ASN 2 -3.238 3.936 4.211 15 2HB ASN 2 1HB ASN 2 -2.546 4.096 5.823 16 1HD2 ASN 2 1HD2 ASN 2 -5.248 2.708 3.994 17 2HD2 ASN 2 2HD2 ASN 2 -5.831 1.738 5.259 18 H ASP 3 H ASP 3 -6.151 7.032 5.478 19 HA ASP 3 HA ASP 3 -7.519 5.860 3.178 20 1HB ASP 3 2HB ASP 3 -9.397 7.287 3.811 21 2HB ASP 3 1HB ASP 3 -8.807 6.402 5.216 22 H ILE 4 H ILE 4 -5.306 8.379 3.703 23 HA ILE 4 HA ILE 4 -6.229 10.406 2.003 24 HB ILE 4 HB ILE 4 -3.980 11.231 1.889 25 1HG1 ILE 4 2HG1 ILE 4 -2.977 8.923 1.363 26 2HG1 ILE 4 1HG1 ILE 4 -2.020 9.982 2.390 27 1HG2 ILE 4 1HG2 ILE 4 -5.166 11.386 4.072 28 2HG2 ILE 4 2HG2 ILE 4 -3.413 11.351 4.247 29 3HG2 ILE 4 3HG2 ILE 4 -4.360 9.905 4.587 30 1HD1 ILE 4 1HD1 ILE 4 -3.540 7.500 3.125 31 2HD1 ILE 4 2HD1 ILE 4 -3.286 8.745 4.347 32 3HD1 ILE 4 3HD1 ILE 4 -1.903 7.978 3.570 33 H TYR 5 H TYR 5 -4.742 7.330 1.260 34 HA TYR 5 HA TYR 5 -4.102 7.935 -1.476 35 1HB TYR 5 2HB TYR 5 -4.532 5.231 -0.172 36 2HB TYR 5 1HB TYR 5 -3.752 5.526 -1.726 37 HD1 TYR 5 HD1 TYR 5 -3.248 5.206 1.793 38 HD2 TYR 5 HD2 TYR 5 -1.694 7.136 -1.716 39 HE1 TYR 5 HE1 TYR 5 -1.084 5.566 2.949 40 HE2 TYR 5 HE2 TYR 5 0.468 7.500 -0.559 41 HH TYR 5 HH TYR 5 0.948 7.528 2.477 42 H LYS 6 H LYS 6 -6.831 6.444 0.217 43 HA LYS 6 HA LYS 6 -8.288 5.669 -2.110 44 1HB LYS 6 2HB LYS 6 -9.015 6.055 0.784 45 2HB LYS 6 1HB LYS 6 -10.258 5.723 -0.422 46 1HG LYS 6 2HG LYS 6 -9.701 3.541 -0.490 47 2HG LYS 6 1HG LYS 6 -8.008 3.933 -0.780 48 1HD LYS 6 2HD LYS 6 -8.063 2.724 1.285 49 2HD LYS 6 1HD LYS 6 -7.818 4.417 1.714 50 1HE LYS 6 2HE LYS 6 -9.949 4.651 2.581 51 2HE LYS 6 1HE LYS 6 -10.632 3.421 1.518 52 1HZ LYS 6 1HZ LYS 6 -10.479 2.695 3.844 53 2HZ LYS 6 2HZ LYS 6 -8.791 2.870 3.785 54 3HZ LYS 6 3HZ LYS 6 -9.563 1.715 2.806 55 H ALA 7 H ALA 7 -7.905 8.694 -0.423 56 HA ALA 7 HA ALA 7 -10.305 9.959 -1.290 57 1HB ALA 7 1HB ALA 7 -8.998 12.087 -0.792 58 2HB ALA 7 2HB ALA 7 -7.648 11.044 -0.346 59 3HB ALA 7 3HB ALA 7 -9.164 10.956 0.550 60 H ALA 8 H ALA 8 -7.046 9.697 -2.664 61 HA ALA 8 HA ALA 8 -7.503 11.546 -4.809 62 1HB ALA 8 1HB ALA 8 -5.487 9.405 -5.161 63 2HB ALA 8 2HB ALA 8 -5.262 10.466 -3.772 64 3HB ALA 8 3HB ALA 8 -5.337 11.146 -5.397 65 H VAL 9 H VAL 9 -7.517 7.992 -4.554 66 HA VAL 9 HA VAL 9 -8.108 7.492 -7.284 67 HB VAL 9 HB VAL 9 -7.221 5.813 -5.616 68 1HG1 VAL 9 1HG1 VAL 9 -10.137 5.692 -4.794 69 2HG1 VAL 9 2HG1 VAL 9 -8.816 6.307 -3.802 70 3HG1 VAL 9 3HG1 VAL 9 -8.863 4.603 -4.247 71 1HG2 VAL 9 1HG2 VAL 9 -9.723 4.996 -7.131 72 2HG2 VAL 9 2HG2 VAL 9 -8.406 3.930 -6.643 73 3HG2 VAL 9 3HG2 VAL 9 -8.123 5.181 -7.853 74 H GLU 10 H GLU 10 -10.078 8.515 -4.615 75 HA GLU 10 HA GLU 10 -12.589 7.720 -5.817 76 1HB GLU 10 2HB GLU 10 -11.779 9.178 -3.334 77 2HB GLU 10 1HB GLU 10 -13.426 9.373 -3.933 78 1HG GLU 10 2HG GLU 10 -12.171 6.647 -3.572 79 2HG GLU 10 1HG GLU 10 -13.033 7.458 -2.266 80 H GLN 11 H GLN 11 -10.434 10.418 -6.082 81 HA GLN 11 HA GLN 11 -12.509 11.865 -7.612 82 1HB GLN 11 2HB GLN 11 -11.734 13.992 -6.757 83 2HB GLN 11 1HB GLN 11 -12.141 12.951 -5.395 84 1HG GLN 11 2HG GLN 11 -9.587 12.286 -5.527 85 2HG GLN 11 1HG GLN 11 -9.439 13.827 -6.368 86 1HE2 GLN 11 1HE2 GLN 11 -8.262 13.375 -3.774 87 2HE2 GLN 11 2HE2 GLN 11 -9.056 14.380 -2.659 88 H LEU 12 H LEU 12 -10.361 10.048 -8.501 89 HA LEU 12 HA LEU 12 -8.339 11.749 -9.709 90 1HB LEU 12 2HB LEU 12 -7.820 9.546 -10.972 91 2HB LEU 12 1HB LEU 12 -7.423 9.692 -9.278 92 HG LEU 12 HG LEU 12 -9.272 8.300 -8.652 93 1HD1 LEU 12 1HD1 LEU 12 -10.083 8.539 -11.560 94 2HD1 LEU 12 2HD1 LEU 12 -11.005 9.041 -10.143 95 3HD1 LEU 12 3HD1 LEU 12 -10.754 7.327 -10.468 96 1HD2 LEU 12 1HD2 LEU 12 -7.111 7.398 -9.945 97 2HD2 LEU 12 2HD2 LEU 12 -8.338 6.856 -11.091 98 3HD2 LEU 12 3HD2 LEU 12 -8.394 6.310 -9.415 99 H THR 13 H THR 13 -7.943 11.035 -12.209 100 HA THR 13 HA THR 13 -10.441 11.824 -13.586 101 HB THR 13 HB THR 13 -8.455 12.204 -15.433 102 HG1 THR 13 HG1 THR 13 -6.725 11.965 -14.189 103 1HG2 THR 13 1HG2 THR 13 -8.558 14.646 -14.353 104 2HG2 THR 13 2HG2 THR 13 -9.906 13.913 -13.482 105 3HG2 THR 13 3HG2 THR 13 -9.912 13.953 -15.246 106 H ASP 14 H ASP 14 -10.506 11.118 -15.928 107 HA ASP 14 HA ASP 14 -10.573 8.282 -16.081 108 1HB ASP 14 2HB ASP 14 -10.689 10.386 -18.259 109 2HB ASP 14 1HB ASP 14 -10.984 8.667 -18.524 110 H GLU 15 H GLU 15 -8.191 10.713 -16.932 111 HA GLU 15 HA GLU 15 -6.512 9.252 -18.637 112 1HB GLU 15 2HB GLU 15 -6.019 11.483 -16.680 113 2HB GLU 15 1HB GLU 15 -4.672 10.724 -17.530 114 1HG GLU 15 2HG GLU 15 -6.260 11.106 -19.640 115 2HG GLU 15 1HG GLU 15 -6.903 12.391 -18.617 116 H GLN 16 H GLN 16 -6.752 9.300 -15.103 117 HA GLN 16 HA GLN 16 -4.451 7.693 -14.576 118 1HB GLN 16 2HB GLN 16 -6.779 8.693 -13.043 119 2HB GLN 16 1HB GLN 16 -6.074 7.188 -12.450 120 1HG GLN 16 2HG GLN 16 -4.477 8.415 -11.459 121 2HG GLN 16 1HG GLN 16 -3.882 8.833 -13.064 122 1HE2 GLN 16 1HE2 GLN 16 -5.576 10.043 -10.262 123 2HE2 GLN 16 2HE2 GLN 16 -5.833 11.612 -10.851 124 H LYS 17 H LYS 17 -7.907 6.995 -14.933 125 HA LYS 17 HA LYS 17 -7.863 4.241 -14.383 126 1HB LYS 17 2HB LYS 17 -9.685 5.695 -16.317 127 2HB LYS 17 1HB LYS 17 -9.987 4.122 -15.585 128 1HG LYS 17 2HG LYS 17 -9.584 6.665 -13.984 129 2HG LYS 17 1HG LYS 17 -11.166 6.039 -14.442 130 1HD LYS 17 2HD LYS 17 -9.590 3.921 -13.285 131 2HD LYS 17 1HD LYS 17 -9.611 5.304 -12.194 132 1HE LYS 17 2HE LYS 17 -12.179 4.432 -13.478 133 2HE LYS 17 1HE LYS 17 -11.556 3.514 -12.110 134 1HZ LYS 17 1HZ LYS 17 -13.079 5.342 -11.485 135 2HZ LYS 17 2HZ LYS 17 -11.950 6.456 -12.093 136 3HZ LYS 17 3HZ LYS 17 -11.548 5.468 -10.770 137 H ASN 18 H ASN 18 -6.863 6.007 -17.230 138 HA ASN 18 HA ASN 18 -6.682 3.527 -18.807 139 1HB ASN 18 2HB ASN 18 -6.846 6.416 -19.447 140 2HB ASN 18 1HB ASN 18 -5.805 5.453 -20.496 141 1HD2 ASN 18 1HD2 ASN 18 -9.072 6.301 -19.869 142 2HD2 ASN 18 2HD2 ASN 18 -9.800 5.141 -20.871 143 H GLU 19 H GLU 19 -4.703 5.931 -17.201 144 HA GLU 19 HA GLU 19 -2.233 5.538 -18.447 145 1HB GLU 19 2HB GLU 19 -2.805 7.286 -16.701 146 2HB GLU 19 1HB GLU 19 -2.598 6.027 -15.484 147 1HG GLU 19 2HG GLU 19 -0.289 5.629 -16.347 148 2HG GLU 19 1HG GLU 19 -0.505 6.979 -17.462 149 H PHE 20 H PHE 20 -3.506 3.933 -15.519 150 HA PHE 20 HA PHE 20 -1.311 2.037 -15.498 151 1HB PHE 20 2HB PHE 20 -3.688 2.554 -13.751 152 2HB PHE 20 1HB PHE 20 -2.829 1.021 -13.625 153 HD1 PHE 20 HD1 PHE 20 -2.651 4.642 -13.090 154 HD2 PHE 20 HD2 PHE 20 -0.459 0.950 -12.923 155 HE1 PHE 20 HE1 PHE 20 -0.897 5.743 -11.733 156 HE2 PHE 20 HE2 PHE 20 1.287 2.043 -11.555 157 HZ PHE 20 HZ PHE 20 1.075 4.445 -10.962 158 H LYS 21 H LYS 21 -4.757 2.026 -16.356 159 HA LYS 21 HA LYS 21 -5.119 -0.747 -16.584 160 1HB LYS 21 2HB LYS 21 -6.993 0.807 -16.642 161 2HB LYS 21 1HB LYS 21 -6.428 1.467 -18.172 162 1HG LYS 21 2HG LYS 21 -6.680 -1.444 -18.261 163 2HG LYS 21 1HG LYS 21 -8.206 -0.659 -17.856 164 1HD LYS 21 2HD LYS 21 -6.657 0.604 -20.050 165 2HD LYS 21 1HD LYS 21 -7.332 -0.986 -20.406 166 1HE LYS 21 2HE LYS 21 -9.562 -0.237 -19.802 167 2HE LYS 21 1HE LYS 21 -8.933 1.319 -19.258 168 1HZ LYS 21 1HZ LYS 21 -8.672 0.304 -22.036 169 2HZ LYS 21 2HZ LYS 21 -8.283 1.858 -21.470 170 3HZ LYS 21 3HZ LYS 21 -9.903 1.351 -21.523 171 H ALA 22 H ALA 22 -3.604 1.553 -18.786 172 HA ALA 22 HA ALA 22 -3.577 -0.006 -21.135 173 1HB ALA 22 1HB ALA 22 -1.708 1.370 -21.852 174 2HB ALA 22 2HB ALA 22 -1.400 1.880 -20.192 175 3HB ALA 22 3HB ALA 22 -2.874 2.395 -21.014 176 H ALA 23 H ALA 23 -1.118 0.314 -18.565 177 HA ALA 23 HA ALA 23 0.537 -1.802 -19.539 178 1HB ALA 23 1HB ALA 23 1.852 -1.465 -17.621 179 2HB ALA 23 2HB ALA 23 0.481 -0.894 -16.668 180 3HB ALA 23 3HB ALA 23 1.168 0.131 -17.929 181 H PHE 24 H PHE 24 -2.176 -1.582 -17.314 182 HA PHE 24 HA PHE 24 -1.932 -4.094 -16.048 183 1HB PHE 24 2HB PHE 24 -3.589 -2.050 -15.643 184 2HB PHE 24 1HB PHE 24 -4.645 -2.999 -16.686 185 HD1 PHE 24 HD1 PHE 24 -4.657 -5.632 -16.077 186 HD2 PHE 24 HD2 PHE 24 -3.721 -2.446 -13.361 187 HE1 PHE 24 HE1 PHE 24 -5.216 -7.100 -14.154 188 HE2 PHE 24 HE2 PHE 24 -4.272 -3.911 -11.445 189 HZ PHE 24 HZ PHE 24 -5.031 -6.227 -11.839 190 H ASP 25 H ASP 25 -3.476 -3.104 -19.083 191 HA ASP 25 HA ASP 25 -4.716 -5.593 -19.662 192 1HB ASP 25 2HB ASP 25 -5.009 -3.184 -20.738 193 2HB ASP 25 1HB ASP 25 -3.825 -3.810 -21.885 194 H ILE 26 H ILE 26 -1.571 -4.208 -20.654 195 HA ILE 26 HA ILE 26 -0.868 -6.395 -22.343 196 HB ILE 26 HB ILE 26 1.476 -5.510 -22.157 197 1HG1 ILE 26 2HG1 ILE 26 0.163 -3.392 -20.423 198 2HG1 ILE 26 1HG1 ILE 26 1.235 -4.650 -19.814 199 1HG2 ILE 26 1HG2 ILE 26 -0.019 -4.683 -23.888 200 2HG2 ILE 26 2HG2 ILE 26 0.914 -3.329 -23.250 201 3HG2 ILE 26 3HG2 ILE 26 -0.763 -3.555 -22.755 202 1HD1 ILE 26 1HD1 ILE 26 3.107 -3.772 -20.957 203 2HD1 ILE 26 2HD1 ILE 26 2.277 -2.345 -20.334 204 3HD1 ILE 26 3HD1 ILE 26 2.102 -2.796 -22.029 205 H PHE 27 H PHE 27 -0.254 -5.713 -18.908 206 HA PHE 27 HA PHE 27 1.382 -8.080 -18.565 207 1HB PHE 27 2HB PHE 27 0.165 -6.176 -16.545 208 2HB PHE 27 1HB PHE 27 1.228 -7.520 -16.126 209 HD1 PHE 27 HD1 PHE 27 3.327 -7.581 -18.024 210 HD2 PHE 27 HD2 PHE 27 1.306 -4.127 -16.447 211 HE1 PHE 27 HE1 PHE 27 5.295 -6.181 -18.572 212 HE2 PHE 27 HE2 PHE 27 3.278 -2.730 -17.012 213 HZ PHE 27 HZ PHE 27 5.270 -3.756 -18.066 214 H ILE 28 H ILE 28 -1.985 -7.178 -18.079 215 HA ILE 28 HA ILE 28 -2.609 -9.994 -17.441 216 HB ILE 28 HB ILE 28 -3.730 -7.457 -16.245 217 1HG1 ILE 28 2HG1 ILE 28 -1.779 -8.537 -15.177 218 2HG1 ILE 28 1HG1 ILE 28 -3.208 -8.607 -14.147 219 1HG2 ILE 28 1HG2 ILE 28 -5.778 -8.424 -16.389 220 2HG2 ILE 28 2HG2 ILE 28 -5.193 -9.448 -15.079 221 3HG2 ILE 28 3HG2 ILE 28 -5.110 -10.016 -16.746 222 1HD1 ILE 28 1HD1 ILE 28 -1.644 -10.775 -14.774 223 2HD1 ILE 28 2HD1 ILE 28 -2.922 -10.905 -15.983 224 3HD1 ILE 28 3HD1 ILE 28 -3.329 -10.880 -14.267 225 H GLN 29 H GLN 29 -2.651 -10.008 -19.823 226 HA GLN 29 HA GLN 29 -4.808 -8.632 -21.173 227 1HB GLN 29 2HB GLN 29 -2.569 -9.192 -22.221 228 2HB GLN 29 1HB GLN 29 -3.110 -10.870 -22.276 229 1HG GLN 29 2HG GLN 29 -4.905 -10.360 -23.742 230 2HG GLN 29 1HG GLN 29 -4.766 -8.628 -23.435 231 1HE2 GLN 29 1HE2 GLN 29 -2.695 -7.567 -24.247 232 2HE2 GLN 29 2HE2 GLN 29 -1.950 -8.214 -25.629 233 H ASP 30 H ASP 30 -4.026 -12.087 -20.668 234 HA ASP 30 HA ASP 30 -6.890 -12.693 -21.088 235 1HB ASP 30 2HB ASP 30 -4.457 -14.470 -21.385 236 2HB ASP 30 1HB ASP 30 -6.125 -15.002 -21.598 237 H ALA 31 H ALA 31 -6.015 -11.736 -18.541 238 HA ALA 31 HA ALA 31 -6.020 -14.156 -16.859 239 1HB ALA 31 1HB ALA 31 -4.482 -11.989 -16.554 240 2HB ALA 31 2HB ALA 31 -5.061 -12.933 -15.181 241 3HB ALA 31 3HB ALA 31 -5.890 -11.447 -15.639 242 H GLU 32 H GLU 32 -7.503 -14.350 -15.119 243 HA GLU 32 HA GLU 32 -10.078 -12.974 -15.620 244 1HB GLU 32 2HB GLU 32 -9.506 -15.731 -14.524 245 2HB GLU 32 1HB GLU 32 -11.101 -14.979 -14.490 246 1HG GLU 32 2HG GLU 32 -11.451 -15.381 -16.687 247 2HG GLU 32 1HG GLU 32 -9.842 -14.807 -17.127 248 H ASP 33 H ASP 33 -7.536 -13.205 -13.381 249 HA ASP 33 HA ASP 33 -9.137 -12.842 -10.992 250 1HB ASP 33 2HB ASP 33 -6.193 -12.898 -11.587 251 2HB ASP 33 1HB ASP 33 -6.770 -12.262 -10.047 252 H GLY 34 H GLY 34 -7.357 -10.824 -13.271 253 1HA GLY 34 2HA GLY 34 -7.577 -8.543 -13.665 254 2HA GLY 34 1HA GLY 34 -8.709 -8.447 -12.318 255 H CYS 35 H CYS 35 -5.423 -9.763 -12.291 256 HA CYS 35 HA CYS 35 -4.431 -7.469 -10.741 257 1HB CYS 35 2HB CYS 35 -3.898 -10.249 -9.735 258 2HB CYS 35 1HB CYS 35 -3.733 -8.716 -8.887 259 HG CYS 35 HG CYS 35 -6.318 -8.587 -8.661 260 H ILE 36 H ILE 36 -2.395 -6.947 -11.335 261 HA ILE 36 HA ILE 36 -1.059 -8.580 -13.323 262 HB ILE 36 HB ILE 36 0.507 -6.824 -13.579 263 1HG1 ILE 36 2HG1 ILE 36 0.061 -4.906 -11.613 264 2HG1 ILE 36 1HG1 ILE 36 0.004 -6.423 -10.717 265 1HG2 ILE 36 1HG2 ILE 36 -1.922 -5.289 -12.669 266 2HG2 ILE 36 2HG2 ILE 36 -1.975 -6.318 -14.100 267 3HG2 ILE 36 3HG2 ILE 36 -0.856 -4.957 -14.033 268 1HD1 ILE 36 1HD1 ILE 36 2.226 -6.809 -11.000 269 2HD1 ILE 36 2HD1 ILE 36 2.318 -5.097 -11.417 270 3HD1 ILE 36 3HD1 ILE 36 2.184 -6.305 -12.694 271 H SER 37 H SER 37 1.427 -8.877 -13.004 272 HA SER 37 HA SER 37 1.712 -10.477 -10.578 273 1HB SER 37 2HB SER 37 2.386 -11.431 -12.756 274 2HB SER 37 1HB SER 37 3.595 -10.162 -12.928 275 HG SER 37 HG SER 37 3.701 -12.467 -11.525 276 H THR 38 H THR 38 2.356 -9.449 -8.800 277 HA THR 38 HA THR 38 3.770 -7.021 -8.643 278 HB THR 38 HB THR 38 4.246 -7.618 -6.303 279 HG1 THR 38 HG1 THR 38 4.588 -9.654 -5.991 280 1HG2 THR 38 1HG2 THR 38 1.534 -8.121 -7.467 281 2HG2 THR 38 2HG2 THR 38 2.086 -6.783 -6.461 282 3HG2 THR 38 3HG2 THR 38 1.789 -8.363 -5.740 283 H LYS 39 H LYS 39 4.842 -10.336 -8.999 284 HA LYS 39 HA LYS 39 7.591 -9.983 -8.370 285 1HB LYS 39 2HB LYS 39 6.541 -11.929 -10.432 286 2HB LYS 39 1HB LYS 39 7.967 -12.095 -9.411 287 1HG LYS 39 2HG LYS 39 5.059 -12.283 -8.593 288 2HG LYS 39 1HG LYS 39 6.311 -13.512 -8.436 289 1HD LYS 39 2HD LYS 39 6.506 -10.851 -7.017 290 2HD LYS 39 1HD LYS 39 5.674 -12.230 -6.301 291 1HE LYS 39 2HE LYS 39 8.127 -13.244 -7.248 292 2HE LYS 39 1HE LYS 39 8.518 -11.711 -6.470 293 1HZ LYS 39 1HZ LYS 39 7.223 -12.460 -4.530 294 2HZ LYS 39 2HZ LYS 39 8.563 -13.454 -4.850 295 3HZ LYS 39 3HZ LYS 39 7.000 -13.966 -5.277 296 H GLU 40 H GLU 40 5.650 -9.418 -11.229 297 HA GLU 40 HA GLU 40 8.012 -8.652 -12.804 298 1HB GLU 40 2HB GLU 40 5.114 -8.926 -13.643 299 2HB GLU 40 1HB GLU 40 6.466 -8.564 -14.715 300 1HG GLU 40 2HG GLU 40 6.320 -11.061 -13.004 301 2HG GLU 40 1HG GLU 40 5.780 -10.999 -14.681 302 H LEU 41 H LEU 41 6.639 -7.066 -10.508 303 HA LEU 41 HA LEU 41 5.378 -4.784 -11.553 304 1HB LEU 41 2HB LEU 41 5.868 -5.613 -9.066 305 2HB LEU 41 1HB LEU 41 7.189 -4.479 -9.211 306 HG LEU 41 HG LEU 41 5.172 -3.524 -8.121 307 1HD1 LEU 41 1HD1 LEU 41 6.855 -2.290 -9.774 308 2HD1 LEU 41 2HD1 LEU 41 5.462 -1.451 -9.093 309 3HD1 LEU 41 3HD1 LEU 41 5.389 -2.091 -10.734 310 1HD2 LEU 41 1HD2 LEU 41 3.166 -3.085 -9.456 311 2HD2 LEU 41 2HD2 LEU 41 3.500 -4.817 -9.448 312 3HD2 LEU 41 3HD2 LEU 41 3.908 -3.847 -10.863 313 H GLY 42 H GLY 42 8.767 -5.692 -11.445 314 1HA GLY 42 2HA GLY 42 9.879 -3.103 -11.898 315 2HA GLY 42 1HA GLY 42 10.678 -4.642 -12.205 316 H LYS 43 H LYS 43 8.256 -5.395 -13.939 317 HA LYS 43 HA LYS 43 9.334 -4.429 -16.441 318 1HB LYS 43 2HB LYS 43 8.277 -6.776 -15.808 319 2HB LYS 43 1HB LYS 43 6.776 -5.970 -16.265 320 1HG LYS 43 2HG LYS 43 7.451 -6.818 -18.306 321 2HG LYS 43 1HG LYS 43 8.181 -5.216 -18.366 322 1HD LYS 43 2HD LYS 43 10.157 -6.585 -17.108 323 2HD LYS 43 1HD LYS 43 9.473 -7.877 -18.094 324 1HE LYS 43 2HE LYS 43 10.176 -5.171 -19.248 325 2HE LYS 43 1HE LYS 43 11.338 -6.494 -19.179 326 1HZ LYS 43 1HZ LYS 43 10.206 -6.478 -21.295 327 2HZ LYS 43 2HZ LYS 43 8.691 -6.558 -20.530 328 3HZ LYS 43 3HZ LYS 43 9.769 -7.868 -20.427 329 H VAL 44 H VAL 44 6.631 -3.729 -14.351 330 HA VAL 44 HA VAL 44 5.327 -2.065 -16.375 331 HB VAL 44 HB VAL 44 3.921 -3.535 -14.960 332 1HG1 VAL 44 1HG1 VAL 44 5.261 -3.478 -12.918 333 2HG1 VAL 44 2HG1 VAL 44 3.608 -2.955 -12.581 334 3HG1 VAL 44 3HG1 VAL 44 4.902 -1.763 -12.708 335 1HG2 VAL 44 1HG2 VAL 44 2.361 -1.978 -15.379 336 2HG2 VAL 44 2HG2 VAL 44 3.599 -0.721 -15.440 337 3HG2 VAL 44 3HG2 VAL 44 2.832 -1.129 -13.905 338 H MET 45 H MET 45 7.198 -1.844 -13.407 339 HA MET 45 HA MET 45 6.788 0.856 -12.757 340 1HB MET 45 2HB MET 45 8.767 -1.211 -12.110 341 2HB MET 45 1HB MET 45 9.447 0.415 -12.138 342 1HG MET 45 2HG MET 45 7.919 1.201 -10.499 343 2HG MET 45 1HG MET 45 6.875 -0.208 -10.685 344 1HE MET 45 1HE MET 45 8.225 -0.536 -7.070 345 2HE MET 45 2HE MET 45 6.899 -0.049 -8.122 346 3HE MET 45 3HE MET 45 8.255 1.044 -7.865 347 H ARG 46 H ARG 46 9.018 -0.708 -15.036 348 HA ARG 46 HA ARG 46 10.488 1.604 -15.761 349 1HB ARG 46 2HB ARG 46 11.050 0.360 -17.845 350 2HB ARG 46 1HB ARG 46 11.307 -0.590 -16.384 351 1HG ARG 46 2HG ARG 46 9.421 -1.932 -16.767 352 2HG ARG 46 1HG ARG 46 8.688 -0.760 -17.860 353 1HD ARG 46 2HD ARG 46 10.634 -1.183 -19.435 354 2HD ARG 46 1HD ARG 46 11.083 -2.530 -18.394 355 HE ARG 46 HE ARG 46 8.458 -3.021 -18.959 356 1HH1 ARG 46 2HH1 ARG 46 11.288 -2.366 -20.899 357 2HH1 ARG 46 1HH1 ARG 46 10.711 -3.259 -22.262 358 1HH2 ARG 46 1HH2 ARG 46 7.723 -4.182 -20.756 359 2HH2 ARG 46 2HH2 ARG 46 8.699 -4.286 -22.183 360 H MET 47 H MET 47 7.368 0.364 -16.781 361 HA MET 47 HA MET 47 7.033 2.132 -19.026 362 1HB MET 47 2HB MET 47 5.474 0.059 -17.667 363 2HB MET 47 1HB MET 47 4.488 1.420 -18.194 364 1HG MET 47 2HG MET 47 4.569 -0.165 -20.010 365 2HG MET 47 1HG MET 47 5.565 1.217 -20.467 366 1HE MET 47 1HE MET 47 7.982 1.355 -20.525 367 2HE MET 47 2HE MET 47 7.447 0.511 -21.975 368 3HE MET 47 3HE MET 47 8.894 -0.034 -21.132 369 H LEU 48 H LEU 48 6.392 2.260 -15.577 370 HA LEU 48 HA LEU 48 4.657 4.553 -15.647 371 1HB LEU 48 2HB LEU 48 5.996 2.920 -13.570 372 2HB LEU 48 1HB LEU 48 5.659 4.580 -13.136 373 HG LEU 48 HG LEU 48 3.824 3.313 -12.343 374 1HD1 LEU 48 1HD1 LEU 48 2.663 4.162 -14.971 375 2HD1 LEU 48 2HD1 LEU 48 3.412 5.387 -13.947 376 3HD1 LEU 48 3HD1 LEU 48 2.058 4.437 -13.337 377 1HD2 LEU 48 1HD2 LEU 48 2.542 1.949 -14.263 378 2HD2 LEU 48 2HD2 LEU 48 3.843 1.221 -13.322 379 3HD2 LEU 48 3HD2 LEU 48 4.171 1.864 -14.932 380 H GLY 49 H GLY 49 8.104 3.991 -15.417 381 1HA GLY 49 2HA GLY 49 9.506 5.831 -16.336 382 2HA GLY 49 1HA GLY 49 8.566 6.919 -15.323 383 H GLN 50 H GLN 50 9.703 3.718 -14.312 384 HA GLN 50 HA GLN 50 11.953 4.809 -12.833 385 1HB GLN 50 2HB GLN 50 11.120 4.002 -10.625 386 2HB GLN 50 1HB GLN 50 10.191 5.358 -11.262 387 1HG GLN 50 2HG GLN 50 8.921 3.087 -12.303 388 2HG GLN 50 1HG GLN 50 9.309 2.654 -10.640 389 1HE2 GLN 50 1HE2 GLN 50 7.831 5.348 -12.534 390 2HE2 GLN 50 2HE2 GLN 50 6.740 5.796 -11.313 391 H ASN 51 H ASN 51 13.406 3.245 -12.132 392 HA ASN 51 HA ASN 51 12.705 0.426 -12.606 393 1HB ASN 51 2HB ASN 51 14.973 0.129 -13.722 394 2HB ASN 51 1HB ASN 51 13.748 0.959 -14.677 395 1HD2 ASN 51 1HD2 ASN 51 16.946 1.218 -13.469 396 2HD2 ASN 51 2HD2 ASN 51 17.184 2.865 -13.807 397 HA PRO 52 HA PRO 52 15.109 0.936 -8.715 398 1HB PRO 52 2HB PRO 52 13.283 -0.313 -7.107 399 2HB PRO 52 1HB PRO 52 13.227 1.409 -7.503 400 1HG PRO 52 2HG PRO 52 11.518 -0.797 -8.470 401 2HG PRO 52 1HG PRO 52 11.164 0.932 -8.343 402 1HD PRO 52 2HD PRO 52 11.866 -0.494 -10.708 403 2HD PRO 52 1HD PRO 52 11.715 1.270 -10.531 404 H THR 53 H THR 53 14.918 -1.167 -6.848 405 HA THR 53 HA THR 53 16.159 -3.373 -8.353 406 HB THR 53 HB THR 53 17.322 -3.920 -6.398 407 HG1 THR 53 HG1 THR 53 16.439 -3.845 -4.484 408 1HG2 THR 53 1HG2 THR 53 17.702 -1.495 -7.227 409 2HG2 THR 53 2HG2 THR 53 18.340 -1.946 -5.647 410 3HG2 THR 53 3HG2 THR 53 16.843 -1.022 -5.762 411 HA PRO 54 HA PRO 54 12.865 -6.193 -7.512 412 1HB PRO 54 2HB PRO 54 14.064 -8.436 -6.488 413 2HB PRO 54 1HB PRO 54 14.133 -7.962 -8.193 414 1HG PRO 54 2HG PRO 54 16.218 -7.737 -6.087 415 2HG PRO 54 1HG PRO 54 16.396 -7.992 -7.831 416 1HD PRO 54 2HD PRO 54 16.783 -5.560 -6.514 417 2HD PRO 54 1HD PRO 54 16.492 -5.736 -8.259 418 H GLU 55 H GLU 55 15.002 -5.577 -4.799 419 HA GLU 55 HA GLU 55 13.149 -6.560 -2.793 420 1HB GLU 55 2HB GLU 55 15.791 -5.115 -2.701 421 2HB GLU 55 1HB GLU 55 14.796 -5.270 -1.253 422 1HG GLU 55 2HG GLU 55 14.698 -7.820 -2.034 423 2HG GLU 55 1HG GLU 55 16.223 -7.387 -2.810 424 H GLU 56 H GLU 56 14.078 -3.479 -4.263 425 HA GLU 56 HA GLU 56 12.648 -1.797 -2.458 426 1HB GLU 56 2HB GLU 56 14.493 -1.249 -4.290 427 2HB GLU 56 1HB GLU 56 13.071 -0.974 -5.297 428 1HG GLU 56 2HG GLU 56 12.355 0.322 -2.990 429 2HG GLU 56 1HG GLU 56 14.097 0.602 -3.021 430 H LEU 57 H LEU 57 11.866 -3.115 -5.693 431 HA LEU 57 HA LEU 57 9.304 -1.927 -5.881 432 1HB LEU 57 2HB LEU 57 8.910 -3.333 -7.727 433 2HB LEU 57 1HB LEU 57 10.609 -2.934 -7.775 434 HG LEU 57 HG LEU 57 10.845 -5.257 -6.512 435 1HD1 LEU 57 1HD1 LEU 57 8.054 -5.184 -7.455 436 2HD1 LEU 57 2HD1 LEU 57 8.810 -6.244 -6.266 437 3HD1 LEU 57 3HD1 LEU 57 8.945 -6.610 -7.986 438 1HD2 LEU 57 1HD2 LEU 57 11.177 -6.302 -8.710 439 2HD2 LEU 57 2HD2 LEU 57 11.780 -4.645 -8.735 440 3HD2 LEU 57 3HD2 LEU 57 10.226 -5.030 -9.476 441 H GLN 58 H GLN 58 10.432 -4.965 -4.458 442 HA GLN 58 HA GLN 58 7.864 -6.108 -4.018 443 1HB GLN 58 2HB GLN 58 10.622 -6.674 -3.156 444 2HB GLN 58 1HB GLN 58 9.391 -7.128 -1.979 445 1HG GLN 58 2HG GLN 58 9.189 -7.878 -4.904 446 2HG GLN 58 1HG GLN 58 9.980 -8.910 -3.715 447 1HE2 GLN 58 1HE2 GLN 58 6.858 -7.738 -4.845 448 2HE2 GLN 58 2HE2 GLN 58 5.915 -8.698 -3.811 449 H GLU 59 H GLU 59 9.924 -3.942 -2.106 450 HA GLU 59 HA GLU 59 8.453 -3.954 0.296 451 1HB GLU 59 2HB GLU 59 10.193 -1.872 -1.021 452 2HB GLU 59 1HB GLU 59 9.367 -1.544 0.502 453 1HG GLU 59 2HG GLU 59 11.035 -4.032 0.157 454 2HG GLU 59 1HG GLU 59 11.781 -2.499 0.604 455 H MET 60 H MET 60 8.062 -2.103 -2.699 456 HA MET 60 HA MET 60 6.001 -0.366 -1.838 457 1HB MET 60 2HB MET 60 6.385 -1.482 -4.628 458 2HB MET 60 1HB MET 60 5.503 -0.020 -4.191 459 1HG MET 60 2HG MET 60 8.405 -0.340 -3.451 460 2HG MET 60 1HG MET 60 7.943 0.227 -5.054 461 1HE MET 60 1HE MET 60 8.880 2.733 -1.745 462 2HE MET 60 2HE MET 60 9.700 2.325 -3.249 463 3HE MET 60 3HE MET 60 9.264 1.047 -2.119 464 H ILE 61 H ILE 61 5.982 -3.604 -3.229 465 HA ILE 61 HA ILE 61 3.167 -3.888 -3.494 466 HB ILE 61 HB ILE 61 5.267 -6.032 -3.053 467 1HG1 ILE 61 2HG1 ILE 61 5.726 -4.679 -5.053 468 2HG1 ILE 61 1HG1 ILE 61 5.163 -6.280 -5.522 469 1HG2 ILE 61 1HG2 ILE 61 2.401 -6.160 -4.030 470 2HG2 ILE 61 2HG2 ILE 61 3.072 -6.919 -2.586 471 3HG2 ILE 61 3HG2 ILE 61 3.554 -7.487 -4.183 472 1HD1 ILE 61 1HD1 ILE 61 3.869 -3.640 -5.885 473 2HD1 ILE 61 2HD1 ILE 61 2.791 -4.944 -5.385 474 3HD1 ILE 61 3HD1 ILE 61 3.740 -5.103 -6.863 475 H ASP 62 H ASP 62 5.427 -4.949 -0.940 476 HA ASP 62 HA ASP 62 3.584 -6.117 0.801 477 1HB ASP 62 2HB ASP 62 6.207 -4.719 1.300 478 2HB ASP 62 1HB ASP 62 5.265 -5.418 2.617 479 H GLU 63 H GLU 63 4.302 -2.708 0.267 480 HA GLU 63 HA GLU 63 2.758 -1.883 2.605 481 1HB GLU 63 2HB GLU 63 4.185 -0.298 0.458 482 2HB GLU 63 1HB GLU 63 3.303 0.428 1.804 483 1HG GLU 63 2HG GLU 63 4.778 -0.557 3.420 484 2HG GLU 63 1HG GLU 63 5.524 -1.592 2.202 485 H VAL 64 H VAL 64 2.586 -1.326 -0.932 486 HA VAL 64 HA VAL 64 0.043 -0.084 -0.913 487 HB VAL 64 HB VAL 64 1.433 -1.604 -3.135 488 1HG1 VAL 64 1HG1 VAL 64 -1.072 0.031 -2.998 489 2HG1 VAL 64 2HG1 VAL 64 -0.728 -1.420 -3.938 490 3HG1 VAL 64 3HG1 VAL 64 -0.076 0.138 -4.451 491 1HG2 VAL 64 1HG2 VAL 64 1.295 1.378 -2.614 492 2HG2 VAL 64 2HG2 VAL 64 2.272 0.548 -3.825 493 3HG2 VAL 64 3HG2 VAL 64 2.647 0.363 -2.109 494 H ASP 65 H ASP 65 0.910 -3.362 -2.028 495 HA ASP 65 HA ASP 65 -1.675 -4.365 -2.343 496 1HB ASP 65 2HB ASP 65 0.907 -5.375 -2.592 497 2HB ASP 65 1HB ASP 65 0.188 -6.373 -1.334 498 H GLU 66 H GLU 66 -3.161 -4.066 -0.776 499 HA GLU 66 HA GLU 66 -2.682 -4.107 2.012 500 1HB GLU 66 2HB GLU 66 -5.323 -4.706 0.657 501 2HB GLU 66 1HB GLU 66 -5.077 -4.103 2.295 502 1HG GLU 66 2HG GLU 66 -4.007 -2.056 1.328 503 2HG GLU 66 1HG GLU 66 -4.420 -2.650 -0.281 504 H ASP 67 H ASP 67 -4.001 -6.593 -0.161 505 HA ASP 67 HA ASP 67 -4.189 -8.543 1.971 506 1HB ASP 67 2HB ASP 67 -4.660 -10.141 0.013 507 2HB ASP 67 1HB ASP 67 -5.831 -8.860 0.316 508 H GLY 68 H GLY 68 -1.948 -7.862 -0.679 509 1HA GLY 68 2HA GLY 68 0.251 -8.518 -0.960 510 2HA GLY 68 1HA GLY 68 0.182 -9.269 0.631 511 H SER 69 H SER 69 -1.710 -9.812 -2.332 512 HA SER 69 HA SER 69 -1.368 -12.694 -2.042 513 1HB SER 69 2HB SER 69 -2.973 -12.811 -3.941 514 2HB SER 69 1HB SER 69 -3.590 -11.881 -2.578 515 HG SER 69 HG SER 69 -3.702 -10.984 -4.853 516 H GLY 70 H GLY 70 0.618 -10.444 -3.313 517 1HA GLY 70 2HA GLY 70 2.443 -10.658 -4.712 518 2HA GLY 70 1HA GLY 70 1.935 -12.306 -5.065 519 H THR 71 H THR 71 -0.408 -9.779 -5.419 520 HA THR 71 HA THR 71 0.075 -9.472 -8.285 521 HB THR 71 HB THR 71 -2.162 -10.160 -8.918 522 HG1 THR 71 HG1 THR 71 -3.369 -9.658 -7.150 523 1HG2 THR 71 1HG2 THR 71 -0.460 -11.931 -8.799 524 2HG2 THR 71 2HG2 THR 71 -2.047 -12.567 -8.365 525 3HG2 THR 71 3HG2 THR 71 -0.863 -12.213 -7.105 526 H VAL 72 H VAL 72 -0.371 -7.443 -8.935 527 HA VAL 72 HA VAL 72 -1.616 -5.631 -6.990 528 HB VAL 72 HB VAL 72 -0.430 -4.794 -9.628 529 1HG1 VAL 72 1HG1 VAL 72 -0.088 -2.689 -8.448 530 2HG1 VAL 72 2HG1 VAL 72 -0.644 -3.412 -6.939 531 3HG1 VAL 72 3HG1 VAL 72 -1.771 -3.181 -8.274 532 1HG2 VAL 72 1HG2 VAL 72 1.003 -5.307 -7.005 533 2HG2 VAL 72 2HG2 VAL 72 1.696 -4.411 -8.356 534 3HG2 VAL 72 3HG2 VAL 72 1.301 -6.121 -8.541 535 H ASP 73 H ASP 73 -3.694 -5.238 -7.108 536 HA ASP 73 HA ASP 73 -5.227 -5.726 -9.544 537 1HB ASP 73 2HB ASP 73 -5.907 -6.037 -6.960 538 2HB ASP 73 1HB ASP 73 -6.442 -4.373 -7.176 539 H PHE 74 H PHE 74 -6.838 -3.886 -10.167 540 HA PHE 74 HA PHE 74 -5.345 -1.649 -10.993 541 1HB PHE 74 2HB PHE 74 -7.637 -2.553 -11.872 542 2HB PHE 74 1HB PHE 74 -8.318 -1.436 -10.686 543 HD1 PHE 74 HD1 PHE 74 -5.303 -1.286 -12.896 544 HD2 PHE 74 HD2 PHE 74 -9.038 0.509 -11.777 545 HE1 PHE 74 HE1 PHE 74 -4.881 0.582 -14.471 546 HE2 PHE 74 HE2 PHE 74 -8.605 2.387 -13.341 547 HZ PHE 74 HZ PHE 74 -6.526 2.419 -14.688 548 H ASP 75 H ASP 75 -7.354 -2.170 -8.137 549 HA ASP 75 HA ASP 75 -7.426 0.530 -7.242 550 1HB ASP 75 2HB ASP 75 -7.828 -2.140 -5.927 551 2HB ASP 75 1HB ASP 75 -7.677 -0.697 -4.926 552 H GLU 76 H GLU 76 -5.219 -2.179 -6.642 553 HA GLU 76 HA GLU 76 -3.486 -0.677 -4.887 554 1HB GLU 76 2HB GLU 76 -2.925 -3.294 -6.306 555 2HB GLU 76 1HB GLU 76 -2.070 -2.647 -4.905 556 1HG GLU 76 2HG GLU 76 -4.052 -2.849 -3.521 557 2HG GLU 76 1HG GLU 76 -5.037 -3.289 -4.914 558 H PHE 77 H PHE 77 -3.766 -1.178 -8.316 559 HA PHE 77 HA PHE 77 -1.082 -0.590 -9.081 560 1HB PHE 77 2HB PHE 77 -3.246 -1.559 -10.390 561 2HB PHE 77 1HB PHE 77 -3.320 0.118 -10.900 562 HD1 PHE 77 HD1 PHE 77 -2.999 -0.868 -13.177 563 HD2 PHE 77 HD2 PHE 77 0.064 -1.059 -10.162 564 HE1 PHE 77 HE1 PHE 77 -1.311 -1.338 -14.915 565 HE2 PHE 77 HE2 PHE 77 1.749 -1.519 -11.917 566 HZ PHE 77 HZ PHE 77 1.053 -1.664 -14.292 567 H LEU 78 H LEU 78 -4.078 1.337 -9.055 568 HA LEU 78 HA LEU 78 -2.838 3.786 -9.820 569 1HB LEU 78 2HB LEU 78 -5.498 3.025 -8.685 570 2HB LEU 78 1HB LEU 78 -5.035 4.715 -8.729 571 HG LEU 78 HG LEU 78 -4.978 4.732 -11.114 572 1HD1 LEU 78 1HD1 LEU 78 -5.095 2.771 -12.501 573 2HD1 LEU 78 2HD1 LEU 78 -5.424 1.737 -11.111 574 3HD1 LEU 78 3HD1 LEU 78 -3.836 2.477 -11.303 575 1HD2 LEU 78 1HD2 LEU 78 -7.269 3.408 -11.571 576 2HD2 LEU 78 2HD2 LEU 78 -7.226 4.920 -10.665 577 3HD2 LEU 78 3HD2 LEU 78 -7.292 3.381 -9.808 578 H VAL 79 H VAL 79 -3.391 2.206 -6.725 579 HA VAL 79 HA VAL 79 -3.024 4.428 -5.015 580 HB VAL 79 HB VAL 79 -2.777 1.459 -4.717 581 1HG1 VAL 79 1HG1 VAL 79 -2.088 1.801 -2.327 582 2HG1 VAL 79 2HG1 VAL 79 -1.750 3.490 -2.712 583 3HG1 VAL 79 3HG1 VAL 79 -0.823 2.204 -3.490 584 1HG2 VAL 79 1HG2 VAL 79 -4.183 3.436 -2.926 585 2HG2 VAL 79 2HG2 VAL 79 -4.575 1.742 -3.222 586 3HG2 VAL 79 3HG2 VAL 79 -4.893 2.950 -4.466 587 H MET 80 H MET 80 -0.706 2.001 -6.215 588 HA MET 80 HA MET 80 1.646 2.815 -5.070 589 1HB MET 80 2HB MET 80 0.947 1.124 -7.159 590 2HB MET 80 1HB MET 80 2.019 2.300 -7.918 591 1HG MET 80 2HG MET 80 3.356 1.800 -5.584 592 2HG MET 80 1HG MET 80 2.619 0.230 -5.899 593 1HE MET 80 1HE MET 80 2.305 0.333 -9.029 594 2HE MET 80 2HE MET 80 2.820 -1.081 -8.114 595 3HE MET 80 3HE MET 80 3.748 -0.564 -9.520 596 H MET 81 H MET 81 -0.081 4.401 -7.726 597 HA MET 81 HA MET 81 2.001 6.156 -8.536 598 1HB MET 81 2HB MET 81 -0.048 5.710 -9.879 599 2HB MET 81 1HB MET 81 -0.987 6.618 -8.698 600 1HG MET 81 2HG MET 81 0.455 8.608 -9.131 601 2HG MET 81 1HG MET 81 1.297 7.692 -10.381 602 1HE MET 81 1HE MET 81 -1.961 8.520 -8.903 603 2HE MET 81 2HE MET 81 -2.806 7.325 -9.884 604 3HE MET 81 3HE MET 81 -3.035 9.042 -10.209 605 H VAL 82 H VAL 82 -0.882 6.797 -6.510 606 HA VAL 82 HA VAL 82 -0.052 9.377 -5.674 607 HB VAL 82 HB VAL 82 -1.748 9.102 -3.858 608 1HG1 VAL 82 1HG1 VAL 82 -3.684 8.751 -5.471 609 2HG1 VAL 82 2HG1 VAL 82 -2.477 8.384 -6.704 610 3HG1 VAL 82 3HG1 VAL 82 -2.511 9.978 -5.951 611 1HG2 VAL 82 1HG2 VAL 82 -2.291 6.406 -5.123 612 2HG2 VAL 82 2HG2 VAL 82 -3.026 7.085 -3.670 613 3HG2 VAL 82 3HG2 VAL 82 -1.333 6.593 -3.654 614 H ARG 83 H ARG 83 0.698 6.169 -4.516 615 HA ARG 83 HA ARG 83 1.600 6.771 -1.913 616 1HB ARG 83 2HB ARG 83 2.403 4.617 -3.876 617 2HB ARG 83 1HB ARG 83 3.063 4.712 -2.245 618 1HG ARG 83 2HG ARG 83 0.100 4.869 -2.492 619 2HG ARG 83 1HG ARG 83 0.839 3.303 -2.826 620 1HD ARG 83 2HD ARG 83 1.178 4.947 -0.305 621 2HD ARG 83 1HD ARG 83 0.270 3.449 -0.456 622 HE ARG 83 HE ARG 83 2.736 2.682 -1.245 623 1HH1 ARG 83 2HH1 ARG 83 1.601 4.505 1.510 624 2HH1 ARG 83 1HH1 ARG 83 2.925 4.038 2.520 625 1HH2 ARG 83 1HH2 ARG 83 4.462 2.088 0.099 626 2HH2 ARG 83 2HH2 ARG 83 4.538 2.675 1.727 627 H CYS 84 H CYS 84 3.167 6.962 -5.070 628 HA CYS 84 HA CYS 84 5.722 7.767 -3.885 629 1HB CYS 84 2HB CYS 84 4.823 7.208 -6.709 630 2HB CYS 84 1HB CYS 84 6.384 7.949 -6.358 631 HG CYS 84 HG CYS 84 7.232 5.697 -5.810 632 H MET 85 H MET 85 3.152 9.119 -5.939 633 HA MET 85 HA MET 85 4.354 11.655 -6.359 634 1HB MET 85 2HB MET 85 2.317 10.541 -7.550 635 2HB MET 85 1HB MET 85 1.376 11.286 -6.257 636 1HG MET 85 2HG MET 85 1.968 13.466 -6.908 637 2HG MET 85 1HG MET 85 3.374 12.911 -7.818 638 1HE MET 85 1HE MET 85 3.173 13.821 -10.020 639 2HE MET 85 2HE MET 85 2.282 12.917 -11.242 640 3HE MET 85 3HE MET 85 3.398 12.073 -10.173 641 H LYS 86 H LYS 86 2.352 10.358 -3.776 642 HA LYS 86 HA LYS 86 1.949 11.114 -1.648 643 1HB LYS 86 2HB LYS 86 4.308 12.089 -1.833 644 2HB LYS 86 1HB LYS 86 3.531 13.612 -2.263 645 1HG LYS 86 2HG LYS 86 3.849 13.703 0.101 646 2HG LYS 86 1HG LYS 86 2.139 13.343 -0.135 647 1HD LYS 86 2HD LYS 86 2.546 10.966 0.253 648 2HD LYS 86 1HD LYS 86 4.280 11.260 0.384 649 1HE LYS 86 2HE LYS 86 3.553 12.962 2.261 650 2HE LYS 86 1HE LYS 86 2.088 11.982 2.304 651 1HZ LYS 86 1HZ LYS 86 4.865 10.977 2.629 652 2HZ LYS 86 2HZ LYS 86 3.464 10.016 2.636 653 3HZ LYS 86 3HZ LYS 86 3.720 11.157 3.867 654 H ASP 87 H ASP 87 -0.029 11.757 -1.175 655 HA ASP 87 HA ASP 87 -1.441 13.649 -2.848 656 1HB ASP 87 2HB ASP 87 -2.388 11.531 -1.659 657 2HB ASP 87 1HB ASP 87 -2.502 12.576 -0.244 658 H ASP 88 H ASP 88 -0.087 15.508 -2.460 659 HA ASP 88 HA ASP 88 -1.002 17.055 -0.148 660 1HB ASP 88 2HB ASP 88 1.855 16.288 -0.661 661 2HB ASP 88 1HB ASP 88 1.492 17.860 0.052 662 H SER 89 HN SER 89 -2.089 18.482 -1.429 663 HA SER 89 HA SER 89 -0.952 19.599 -3.830 664 1HB SER 89 2HB SER 89 -3.354 20.553 -2.249 665 2HB SER 89 1HB SER 89 -2.948 20.996 -3.904 666 HG SER 89 HG SER 89 -4.106 18.712 -2.901 Start of MODEL 35 1 1H MET 1 1H MET 1 -7.105 8.518 9.734 2 2H MET 1 2H MET 1 -7.723 8.213 8.181 3 3H MET 1 3H MET 1 -6.318 9.148 8.371 4 HA MET 1 HA MET 1 -5.124 7.232 9.242 5 1HB MET 1 2HB MET 1 -7.844 5.987 8.869 6 2HB MET 1 1HB MET 1 -6.392 4.990 8.794 7 1HG MET 1 2HG MET 1 -5.900 5.288 11.029 8 2HG MET 1 1HG MET 1 -6.646 6.884 11.089 9 1HE MET 1 1HE MET 1 -8.675 6.697 13.147 10 2HE MET 1 2HE MET 1 -10.031 6.626 12.025 11 3HE MET 1 3HE MET 1 -8.573 7.510 11.580 12 H ASN 2 H ASN 2 -4.039 8.062 7.408 13 HA ASN 2 HA ASN 2 -3.405 8.247 5.192 14 1HB ASN 2 2HB ASN 2 -2.893 5.991 4.186 15 2HB ASN 2 1HB ASN 2 -2.220 6.261 5.791 16 1HD2 ASN 2 1HD2 ASN 2 -4.784 4.525 4.023 17 2HD2 ASN 2 2HD2 ASN 2 -5.122 3.425 5.271 18 H ASP 3 H ASP 3 -6.074 8.862 5.326 19 HA ASP 3 HA ASP 3 -7.561 7.343 3.354 20 1HB ASP 3 2HB ASP 3 -9.316 9.042 3.680 21 2HB ASP 3 1HB ASP 3 -8.759 8.392 5.220 22 H ILE 4 H ILE 4 -5.453 10.098 3.365 23 HA ILE 4 HA ILE 4 -6.327 11.519 1.136 24 HB ILE 4 HB ILE 4 -4.128 12.455 0.951 25 1HG1 ILE 4 2HG1 ILE 4 -2.937 10.197 1.074 26 2HG1 ILE 4 1HG1 ILE 4 -2.149 11.527 1.912 27 1HG2 ILE 4 1HG2 ILE 4 -3.781 13.236 3.207 28 2HG2 ILE 4 2HG2 ILE 4 -4.600 11.825 3.875 29 3HG2 ILE 4 3HG2 ILE 4 -5.514 13.024 2.961 30 1HD1 ILE 4 1HD1 ILE 4 -3.469 10.678 4.001 31 2HD1 ILE 4 2HD1 ILE 4 -2.039 9.788 3.482 32 3HD1 ILE 4 3HD1 ILE 4 -3.645 9.187 3.073 33 H TYR 5 H TYR 5 -4.602 8.475 1.275 34 HA TYR 5 HA TYR 5 -3.676 8.397 -1.410 35 1HB TYR 5 2HB TYR 5 -4.359 6.185 0.542 36 2HB TYR 5 1HB TYR 5 -3.669 5.889 -1.054 37 HD1 TYR 5 HD1 TYR 5 -1.389 6.667 -1.609 38 HD2 TYR 5 HD2 TYR 5 -3.045 7.172 2.322 39 HE1 TYR 5 HE1 TYR 5 0.873 7.147 -0.716 40 HE2 TYR 5 HE2 TYR 5 -0.782 7.652 3.213 41 HH TYR 5 HH TYR 5 1.623 8.636 1.693 42 H LYS 6 H LYS 6 -6.632 7.174 0.146 43 HA LYS 6 HA LYS 6 -7.780 6.229 -2.330 44 1HB LYS 6 2HB LYS 6 -8.902 6.581 0.455 45 2HB LYS 6 1HB LYS 6 -9.863 5.987 -0.899 46 1HG LYS 6 2HG LYS 6 -9.101 3.957 -0.143 47 2HG LYS 6 1HG LYS 6 -7.718 4.371 -1.156 48 1HD LYS 6 2HD LYS 6 -6.429 5.090 0.694 49 2HD LYS 6 1HD LYS 6 -7.843 5.215 1.739 50 1HE LYS 6 2HE LYS 6 -7.220 2.538 0.568 51 2HE LYS 6 1HE LYS 6 -6.193 3.120 1.878 52 1HZ LYS 6 1HZ LYS 6 -9.156 2.910 1.960 53 2HZ LYS 6 2HZ LYS 6 -8.169 3.483 3.219 54 3HZ LYS 6 3HZ LYS 6 -8.066 1.861 2.727 55 H ALA 7 H ALA 7 -7.743 9.233 -0.576 56 HA ALA 7 HA ALA 7 -10.134 10.372 -1.615 57 1HB ALA 7 1HB ALA 7 -9.434 12.386 -0.647 58 2HB ALA 7 2HB ALA 7 -7.724 11.999 -0.847 59 3HB ALA 7 3HB ALA 7 -8.681 11.166 0.379 60 H ALA 8 H ALA 8 -6.883 10.032 -2.884 61 HA ALA 8 HA ALA 8 -7.235 12.015 -4.967 62 1HB ALA 8 1HB ALA 8 -5.139 9.933 -5.229 63 2HB ALA 8 2HB ALA 8 -5.023 10.998 -3.828 64 3HB ALA 8 3HB ALA 8 -5.030 11.679 -5.456 65 H VAL 9 H VAL 9 -7.153 8.449 -4.802 66 HA VAL 9 HA VAL 9 -7.536 7.995 -7.565 67 HB VAL 9 HB VAL 9 -6.758 6.271 -5.921 68 1HG1 VAL 9 1HG1 VAL 9 -9.702 6.215 -5.187 69 2HG1 VAL 9 2HG1 VAL 9 -8.371 6.685 -4.131 70 3HG1 VAL 9 3HG1 VAL 9 -8.510 5.016 -4.681 71 1HG2 VAL 9 1HG2 VAL 9 -9.223 5.369 -7.430 72 2HG2 VAL 9 2HG2 VAL 9 -7.758 4.444 -7.099 73 3HG2 VAL 9 3HG2 VAL 9 -7.713 5.787 -8.241 74 H GLU 10 H GLU 10 -9.789 8.838 -5.025 75 HA GLU 10 HA GLU 10 -12.128 8.060 -6.544 76 1HB GLU 10 2HB GLU 10 -13.410 8.969 -4.716 77 2HB GLU 10 1HB GLU 10 -12.071 8.039 -4.046 78 1HG GLU 10 2HG GLU 10 -10.874 9.973 -3.432 79 2HG GLU 10 1HG GLU 10 -11.811 11.009 -4.504 80 H GLN 11 H GLN 11 -10.054 10.831 -6.430 81 HA GLN 11 HA GLN 11 -12.094 12.376 -7.923 82 1HB GLN 11 2HB GLN 11 -11.250 14.419 -6.987 83 2HB GLN 11 1HB GLN 11 -11.575 13.310 -5.656 84 1HG GLN 11 2HG GLN 11 -9.154 12.664 -5.669 85 2HG GLN 11 1HG GLN 11 -8.869 13.897 -6.897 86 1HE2 GLN 11 1HE2 GLN 11 -10.476 13.668 -3.657 87 2HE2 GLN 11 2HE2 GLN 11 -9.898 15.169 -3.116 88 H LEU 12 H LEU 12 -9.771 10.551 -8.818 89 HA LEU 12 HA LEU 12 -7.964 12.402 -10.140 90 1HB LEU 12 2HB LEU 12 -7.272 10.223 -11.369 91 2HB LEU 12 1HB LEU 12 -6.828 10.462 -9.697 92 HG LEU 12 HG LEU 12 -8.546 8.931 -8.967 93 1HD1 LEU 12 1HD1 LEU 12 -9.382 8.997 -11.871 94 2HD1 LEU 12 2HD1 LEU 12 -10.363 9.352 -10.449 95 3HD1 LEU 12 3HD1 LEU 12 -9.867 7.694 -10.785 96 1HD2 LEU 12 1HD2 LEU 12 -6.792 8.037 -11.248 97 2HD2 LEU 12 2HD2 LEU 12 -7.831 6.885 -10.407 98 3HD2 LEU 12 3HD2 LEU 12 -6.581 7.757 -9.520 99 H THR 13 H THR 13 -7.574 11.814 -12.617 100 HA THR 13 HA THR 13 -10.092 12.479 -13.950 101 HB THR 13 HB THR 13 -8.228 12.387 -15.948 102 HG1 THR 13 HG1 THR 13 -6.413 12.103 -14.883 103 1HG2 THR 13 1HG2 THR 13 -9.257 14.493 -14.112 104 2HG2 THR 13 2HG2 THR 13 -9.427 14.338 -15.862 105 3HG2 THR 13 3HG2 THR 13 -7.913 14.923 -15.172 106 H ASP 14 H ASP 14 -10.428 11.472 -16.169 107 HA ASP 14 HA ASP 14 -10.689 8.628 -15.876 108 1HB ASP 14 2HB ASP 14 -11.291 10.607 -18.055 109 2HB ASP 14 1HB ASP 14 -11.273 8.883 -18.431 110 H GLU 15 H GLU 15 -8.471 10.829 -17.472 111 HA GLU 15 HA GLU 15 -7.084 8.909 -19.057 112 1HB GLU 15 2HB GLU 15 -5.453 10.624 -19.412 113 2HB GLU 15 1HB GLU 15 -7.024 11.419 -19.356 114 1HG GLU 15 2HG GLU 15 -6.651 12.074 -17.030 115 2HG GLU 15 1HG GLU 15 -5.111 11.214 -17.012 116 H GLN 16 H GLN 16 -6.834 9.970 -15.729 117 HA GLN 16 HA GLN 16 -4.277 8.882 -15.125 118 1HB GLN 16 2HB GLN 16 -6.099 10.415 -13.753 119 2HB GLN 16 1HB GLN 16 -6.246 8.861 -12.936 120 1HG GLN 16 2HG GLN 16 -3.787 8.800 -12.625 121 2HG GLN 16 1HG GLN 16 -3.662 10.376 -13.410 122 1HE2 GLN 16 1HE2 GLN 16 -5.260 12.096 -12.329 123 2HE2 GLN 16 2HE2 GLN 16 -5.276 12.088 -10.632 124 H LYS 17 H LYS 17 -7.590 7.631 -14.826 125 HA LYS 17 HA LYS 17 -6.865 5.105 -13.713 126 1HB LYS 17 2HB LYS 17 -9.337 5.892 -15.281 127 2HB LYS 17 1HB LYS 17 -9.149 4.406 -14.352 128 1HG LYS 17 2HG LYS 17 -9.277 5.497 -12.316 129 2HG LYS 17 1HG LYS 17 -8.620 7.001 -12.960 130 1HD LYS 17 2HD LYS 17 -10.873 7.555 -12.667 131 2HD LYS 17 1HD LYS 17 -10.841 7.060 -14.358 132 1HE LYS 17 2HE LYS 17 -11.218 4.730 -12.716 133 2HE LYS 17 1HE LYS 17 -12.401 5.953 -12.253 134 1HZ LYS 17 1HZ LYS 17 -13.024 6.180 -14.577 135 2HZ LYS 17 2HZ LYS 17 -13.220 4.574 -14.055 136 3HZ LYS 17 3HZ LYS 17 -11.889 5.000 -15.020 137 H ASN 18 H ASN 18 -7.539 6.245 -17.012 138 HA ASN 18 HA ASN 18 -7.251 3.735 -18.309 139 1HB ASN 18 2HB ASN 18 -7.080 6.589 -19.253 140 2HB ASN 18 1HB ASN 18 -6.726 5.249 -20.344 141 1HD2 ASN 18 1HD2 ASN 18 -9.195 7.257 -19.696 142 2HD2 ASN 18 2HD2 ASN 18 -10.516 6.211 -19.902 143 H GLU 19 H GLU 19 -4.942 6.149 -17.240 144 HA GLU 19 HA GLU 19 -2.703 5.472 -18.775 145 1HB GLU 19 2HB GLU 19 -2.875 7.414 -17.175 146 2HB GLU 19 1HB GLU 19 -2.649 6.267 -15.854 147 1HG GLU 19 2HG GLU 19 -0.469 5.661 -16.628 148 2HG GLU 19 1HG GLU 19 -0.709 6.496 -18.163 149 H PHE 20 H PHE 20 -3.769 4.164 -15.624 150 HA PHE 20 HA PHE 20 -1.686 2.141 -15.638 151 1HB PHE 20 2HB PHE 20 -3.912 2.881 -13.772 152 2HB PHE 20 1HB PHE 20 -3.132 1.308 -13.623 153 HD1 PHE 20 HD1 PHE 20 -0.832 1.104 -12.896 154 HD2 PHE 20 HD2 PHE 20 -2.629 4.964 -13.444 155 HE1 PHE 20 HE1 PHE 20 1.054 2.147 -11.680 156 HE2 PHE 20 HE2 PHE 20 -0.737 6.017 -12.241 157 HZ PHE 20 HZ PHE 20 1.107 4.610 -11.356 158 H LYS 21 H LYS 21 -5.237 2.230 -15.963 159 HA LYS 21 HA LYS 21 -5.759 -0.485 -16.137 160 1HB LYS 21 2HB LYS 21 -7.437 1.430 -16.121 161 2HB LYS 21 1HB LYS 21 -7.167 1.551 -17.855 162 1HG LYS 21 2HG LYS 21 -9.068 0.111 -17.560 163 2HG LYS 21 1HG LYS 21 -7.715 -0.930 -18.001 164 1HD LYS 21 2HD LYS 21 -7.526 -1.826 -15.872 165 2HD LYS 21 1HD LYS 21 -8.205 -0.396 -15.097 166 1HE LYS 21 2HE LYS 21 -10.434 -0.965 -16.020 167 2HE LYS 21 1HE LYS 21 -9.749 -2.418 -16.747 168 1HZ LYS 21 1HZ LYS 21 -9.788 -1.792 -13.844 169 2HZ LYS 21 2HZ LYS 21 -9.132 -3.193 -14.547 170 3HZ LYS 21 3HZ LYS 21 -10.804 -2.900 -14.629 171 H ALA 22 H ALA 22 -4.614 1.695 -18.706 172 HA ALA 22 HA ALA 22 -4.880 -0.047 -20.900 173 1HB ALA 22 1HB ALA 22 -2.764 2.055 -20.368 174 2HB ALA 22 2HB ALA 22 -4.285 2.295 -21.228 175 3HB ALA 22 3HB ALA 22 -3.031 1.272 -21.926 176 H ALA 23 H ALA 23 -2.054 0.533 -18.807 177 HA ALA 23 HA ALA 23 -0.467 -1.580 -19.861 178 1HB ALA 23 1HB ALA 23 0.251 0.469 -18.416 179 2HB ALA 23 2HB ALA 23 1.070 -1.071 -18.165 180 3HB ALA 23 3HB ALA 23 -0.189 -0.550 -17.045 181 H PHE 24 H PHE 24 -2.792 -1.294 -17.239 182 HA PHE 24 HA PHE 24 -2.348 -3.694 -15.879 183 1HB PHE 24 2HB PHE 24 -3.933 -1.792 -15.241 184 2HB PHE 24 1HB PHE 24 -5.082 -2.495 -16.377 185 HD1 PHE 24 HD1 PHE 24 -5.864 -4.875 -16.035 186 HD2 PHE 24 HD2 PHE 24 -3.585 -2.743 -13.088 187 HE1 PHE 24 HE1 PHE 24 -6.568 -6.504 -14.310 188 HE2 PHE 24 HE2 PHE 24 -4.285 -4.375 -11.365 189 HZ PHE 24 HZ PHE 24 -5.779 -6.250 -11.978 190 H ASP 25 H ASP 25 -4.326 -3.009 -18.754 191 HA ASP 25 HA ASP 25 -5.502 -5.561 -19.026 192 1HB ASP 25 2HB ASP 25 -4.967 -3.308 -20.942 193 2HB ASP 25 1HB ASP 25 -5.598 -4.845 -21.532 194 H ILE 26 H ILE 26 -2.515 -4.213 -20.462 195 HA ILE 26 HA ILE 26 -1.894 -6.613 -21.903 196 HB ILE 26 HB ILE 26 0.385 -5.592 -22.178 197 1HG1 ILE 26 2HG1 ILE 26 -0.865 -3.302 -20.624 198 2HG1 ILE 26 1HG1 ILE 26 0.406 -4.355 -20.012 199 1HG2 ILE 26 1HG2 ILE 26 -1.517 -5.161 -23.730 200 2HG2 ILE 26 2HG2 ILE 26 -0.411 -3.792 -23.624 201 3HG2 ILE 26 3HG2 ILE 26 -1.951 -3.750 -22.766 202 1HD1 ILE 26 1HD1 ILE 26 2.021 -3.307 -21.215 203 2HD1 ILE 26 2HD1 ILE 26 0.852 -1.990 -21.317 204 3HD1 ILE 26 3HD1 ILE 26 0.992 -3.150 -22.638 205 H PHE 27 H PHE 27 -0.905 -5.323 -18.742 206 HA PHE 27 HA PHE 27 0.985 -7.414 -18.206 207 1HB PHE 27 2HB PHE 27 -0.358 -5.340 -16.474 208 2HB PHE 27 1HB PHE 27 0.683 -6.587 -15.783 209 HD1 PHE 27 HD1 PHE 27 2.966 -6.950 -17.167 210 HD2 PHE 27 HD2 PHE 27 0.667 -3.324 -17.061 211 HE1 PHE 27 HE1 PHE 27 4.963 -5.662 -17.875 212 HE2 PHE 27 HE2 PHE 27 2.663 -2.037 -17.775 213 HZ PHE 27 HZ PHE 27 4.812 -3.206 -18.180 214 H ILE 28 H ILE 28 -2.474 -7.060 -17.787 215 HA ILE 28 HA ILE 28 -2.587 -9.618 -16.323 216 HB ILE 28 HB ILE 28 -3.722 -7.364 -15.550 217 1HG1 ILE 28 2HG1 ILE 28 -3.869 -9.669 -14.515 218 2HG1 ILE 28 1HG1 ILE 28 -5.256 -8.620 -14.236 219 1HG2 ILE 28 1HG2 ILE 28 -4.981 -7.341 -17.858 220 2HG2 ILE 28 2HG2 ILE 28 -5.805 -6.825 -16.388 221 3HG2 ILE 28 3HG2 ILE 28 -6.089 -8.438 -17.034 222 1HD1 ILE 28 1HD1 ILE 28 -6.410 -9.736 -16.168 223 2HD1 ILE 28 2HD1 ILE 28 -6.068 -10.829 -14.827 224 3HD1 ILE 28 3HD1 ILE 28 -5.053 -10.858 -16.268 225 H GLN 29 H GLN 29 -1.910 -9.638 -19.015 226 HA GLN 29 HA GLN 29 -4.217 -10.168 -20.667 227 1HB GLN 29 2HB GLN 29 -2.011 -9.272 -21.519 228 2HB GLN 29 1HB GLN 29 -1.329 -10.871 -21.230 229 1HG GLN 29 2HG GLN 29 -1.976 -11.112 -23.436 230 2HG GLN 29 1HG GLN 29 -3.448 -11.652 -22.628 231 1HE2 GLN 29 1HE2 GLN 29 -1.957 -8.592 -23.851 232 2HE2 GLN 29 2HE2 GLN 29 -3.429 -7.912 -24.354 233 H ASP 30 H ASP 30 -1.523 -12.160 -19.427 234 HA ASP 30 HA ASP 30 -2.864 -14.623 -20.137 235 1HB ASP 30 2HB ASP 30 -0.920 -15.732 -19.148 236 2HB ASP 30 1HB ASP 30 -0.408 -14.447 -20.240 237 H ALA 31 H ALA 31 -3.371 -12.506 -17.602 238 HA ALA 31 HA ALA 31 -3.921 -14.631 -15.641 239 1HB ALA 31 1HB ALA 31 -2.882 -12.991 -14.417 240 2HB ALA 31 2HB ALA 31 -4.541 -12.406 -14.291 241 3HB ALA 31 3HB ALA 31 -3.443 -11.696 -15.474 242 H GLU 32 H GLU 32 -5.979 -14.727 -14.594 243 HA GLU 32 HA GLU 32 -8.203 -13.412 -16.026 244 1HB GLU 32 2HB GLU 32 -9.480 -15.562 -15.939 245 2HB GLU 32 1HB GLU 32 -8.081 -15.618 -17.010 246 1HG GLU 32 2HG GLU 32 -7.065 -17.215 -15.766 247 2HG GLU 32 1HG GLU 32 -7.422 -16.378 -14.256 248 H ASP 33 H ASP 33 -7.058 -12.720 -13.510 249 HA ASP 33 HA ASP 33 -9.275 -13.434 -11.678 250 1HB ASP 33 2HB ASP 33 -6.350 -12.981 -11.104 251 2HB ASP 33 1HB ASP 33 -7.576 -12.858 -9.843 252 H GLY 34 H GLY 34 -7.179 -10.883 -12.916 253 1HA GLY 34 2HA GLY 34 -8.114 -8.665 -13.247 254 2HA GLY 34 1HA GLY 34 -9.007 -8.873 -11.744 255 H CYS 35 H CYS 35 -5.609 -9.660 -12.371 256 HA CYS 35 HA CYS 35 -4.592 -7.338 -10.991 257 1HB CYS 35 2HB CYS 35 -3.446 -8.766 -9.227 258 2HB CYS 35 1HB CYS 35 -5.179 -8.525 -9.013 259 HG CYS 35 HG CYS 35 -5.602 -10.939 -9.878 260 H ILE 36 H ILE 36 -2.480 -6.967 -11.499 261 HA ILE 36 HA ILE 36 -1.275 -8.705 -13.494 262 HB ILE 36 HB ILE 36 0.372 -6.988 -13.807 263 1HG1 ILE 36 2HG1 ILE 36 -0.190 -4.919 -12.043 264 2HG1 ILE 36 1HG1 ILE 36 -0.296 -6.352 -11.020 265 1HG2 ILE 36 1HG2 ILE 36 -2.260 -5.622 -13.175 266 2HG2 ILE 36 2HG2 ILE 36 -1.932 -6.523 -14.655 267 3HG2 ILE 36 3HG2 ILE 36 -1.023 -5.056 -14.297 268 1HD1 ILE 36 1HD1 ILE 36 2.051 -5.078 -11.688 269 2HD1 ILE 36 2HD1 ILE 36 1.996 -6.384 -12.872 270 3HD1 ILE 36 3HD1 ILE 36 1.936 -6.753 -11.145 271 H SER 37 H SER 37 1.303 -8.852 -13.181 272 HA SER 37 HA SER 37 1.635 -10.440 -10.743 273 1HB SER 37 2HB SER 37 2.439 -10.901 -13.305 274 2HB SER 37 1HB SER 37 3.905 -10.208 -12.618 275 HG SER 37 HG SER 37 3.282 -12.629 -12.400 276 H THR 38 H THR 38 2.278 -9.377 -8.977 277 HA THR 38 HA THR 38 3.527 -6.870 -8.867 278 HB THR 38 HB THR 38 4.120 -7.421 -6.538 279 HG1 THR 38 HG1 THR 38 4.402 -9.411 -6.015 280 1HG2 THR 38 1HG2 THR 38 1.713 -8.301 -5.916 281 2HG2 THR 38 2HG2 THR 38 1.410 -8.041 -7.632 282 3HG2 THR 38 3HG2 THR 38 1.927 -6.697 -6.615 283 H LYS 39 H LYS 39 4.912 -10.130 -8.957 284 HA LYS 39 HA LYS 39 7.611 -9.421 -8.506 285 1HB LYS 39 2HB LYS 39 8.165 -11.557 -9.690 286 2HB LYS 39 1HB LYS 39 6.977 -11.751 -8.404 287 1HG LYS 39 2HG LYS 39 5.484 -11.160 -10.724 288 2HG LYS 39 1HG LYS 39 6.709 -12.322 -11.231 289 1HD LYS 39 2HD LYS 39 5.913 -13.407 -8.849 290 2HD LYS 39 1HD LYS 39 4.408 -12.683 -9.412 291 1HE LYS 39 2HE LYS 39 4.243 -14.094 -11.217 292 2HE LYS 39 1HE LYS 39 5.991 -14.205 -11.424 293 1HZ LYS 39 1HZ LYS 39 4.446 -15.494 -9.239 294 2HZ LYS 39 2HZ LYS 39 6.117 -15.643 -9.511 295 3HZ LYS 39 3HZ LYS 39 5.010 -16.284 -10.629 296 H GLU 40 H GLU 40 5.571 -9.207 -11.342 297 HA GLU 40 HA GLU 40 7.852 -8.446 -13.040 298 1HB GLU 40 2HB GLU 40 4.948 -8.975 -13.728 299 2HB GLU 40 1HB GLU 40 6.193 -8.520 -14.890 300 1HG GLU 40 2HG GLU 40 6.658 -10.881 -13.092 301 2HG GLU 40 1HG GLU 40 5.627 -11.064 -14.511 302 H LEU 41 H LEU 41 6.397 -6.819 -10.804 303 HA LEU 41 HA LEU 41 5.046 -4.656 -12.010 304 1HB LEU 41 2HB LEU 41 4.903 -5.084 -9.623 305 2HB LEU 41 1HB LEU 41 6.616 -4.786 -9.436 306 HG LEU 41 HG LEU 41 6.274 -2.418 -10.009 307 1HD1 LEU 41 1HD1 LEU 41 4.449 -1.816 -11.178 308 2HD1 LEU 41 2HD1 LEU 41 3.450 -2.185 -9.771 309 3HD1 LEU 41 3HD1 LEU 41 3.759 -3.427 -10.985 310 1HD2 LEU 41 1HD2 LEU 41 5.868 -3.484 -7.645 311 2HD2 LEU 41 2HD2 LEU 41 4.178 -3.082 -7.954 312 3HD2 LEU 41 3HD2 LEU 41 5.398 -1.808 -7.925 313 H GLY 42 H GLY 42 8.459 -5.392 -11.686 314 1HA GLY 42 2HA GLY 42 9.522 -2.793 -12.046 315 2HA GLY 42 1HA GLY 42 10.351 -4.301 -12.419 316 H LYS 43 H LYS 43 7.887 -4.901 -14.248 317 HA LYS 43 HA LYS 43 9.072 -3.792 -16.657 318 1HB LYS 43 2HB LYS 43 6.719 -5.645 -16.214 319 2HB LYS 43 1HB LYS 43 7.285 -5.131 -17.804 320 1HG LYS 43 2HG LYS 43 9.478 -6.121 -17.388 321 2HG LYS 43 1HG LYS 43 8.996 -6.558 -15.747 322 1HD LYS 43 2HD LYS 43 8.464 -8.554 -16.721 323 2HD LYS 43 1HD LYS 43 6.979 -7.708 -17.155 324 1HE LYS 43 2HE LYS 43 9.382 -7.518 -18.953 325 2HE LYS 43 1HE LYS 43 8.344 -8.941 -19.026 326 1HZ LYS 43 1HZ LYS 43 6.448 -7.266 -19.208 327 2HZ LYS 43 2HZ LYS 43 7.435 -7.486 -20.573 328 3HZ LYS 43 3HZ LYS 43 7.647 -6.124 -19.581 329 H VAL 44 H VAL 44 6.224 -3.306 -14.666 330 HA VAL 44 HA VAL 44 5.080 -1.428 -16.601 331 HB VAL 44 HB VAL 44 3.577 -3.043 -15.467 332 1HG1 VAL 44 1HG1 VAL 44 4.797 -3.119 -13.309 333 2HG1 VAL 44 2HG1 VAL 44 3.076 -2.793 -13.098 334 3HG1 VAL 44 3HG1 VAL 44 4.244 -1.479 -12.964 335 1HG2 VAL 44 1HG2 VAL 44 3.237 -0.258 -15.815 336 2HG2 VAL 44 2HG2 VAL 44 2.483 -0.653 -14.270 337 3HG2 VAL 44 3HG2 VAL 44 1.976 -1.488 -15.741 338 H MET 45 H MET 45 6.569 -1.515 -13.398 339 HA MET 45 HA MET 45 6.097 1.121 -12.578 340 1HB MET 45 2HB MET 45 7.286 -0.917 -11.369 341 2HB MET 45 1HB MET 45 8.744 -0.140 -11.987 342 1HG MET 45 2HG MET 45 8.293 1.879 -10.814 343 2HG MET 45 1HG MET 45 6.626 1.406 -10.485 344 1HE MET 45 1HE MET 45 7.401 2.476 -8.430 345 2HE MET 45 2HE MET 45 9.091 2.238 -7.993 346 3HE MET 45 3HE MET 45 7.822 1.519 -7.003 347 H ARG 46 H ARG 46 8.589 -0.233 -14.717 348 HA ARG 46 HA ARG 46 10.189 2.092 -14.939 349 1HB ARG 46 2HB ARG 46 10.985 1.109 -17.086 350 2HB ARG 46 1HB ARG 46 11.022 -0.043 -15.752 351 1HG ARG 46 2HG ARG 46 9.135 -1.210 -16.546 352 2HG ARG 46 1HG ARG 46 8.629 0.124 -17.580 353 1HD ARG 46 2HD ARG 46 10.742 -0.227 -18.916 354 2HD ARG 46 1HD ARG 46 11.021 -1.688 -17.974 355 HE ARG 46 HE ARG 46 8.449 -1.932 -18.979 356 1HH1 ARG 46 2HH1 ARG 46 11.666 -1.519 -20.274 357 2HH1 ARG 46 1HH1 ARG 46 11.316 -2.362 -21.743 358 1HH2 ARG 46 1HH2 ARG 46 8.014 -3.033 -20.913 359 2HH2 ARG 46 2HH2 ARG 46 9.257 -3.217 -22.106 360 H MET 47 H MET 47 7.215 1.093 -16.538 361 HA MET 47 HA MET 47 7.194 3.127 -18.548 362 1HB MET 47 2HB MET 47 4.976 1.463 -17.325 363 2HB MET 47 1HB MET 47 4.726 2.593 -18.654 364 1HG MET 47 2HG MET 47 6.794 0.389 -18.774 365 2HG MET 47 1HG MET 47 5.132 0.155 -19.315 366 1HE MET 47 1HE MET 47 8.258 1.068 -22.024 367 2HE MET 47 2HE MET 47 7.568 -0.329 -21.202 368 3HE MET 47 3HE MET 47 8.521 0.837 -20.289 369 H LEU 48 H LEU 48 6.153 2.913 -15.199 370 HA LEU 48 HA LEU 48 4.609 5.317 -15.116 371 1HB LEU 48 2HB LEU 48 5.841 3.492 -13.101 372 2HB LEU 48 1HB LEU 48 5.356 5.088 -12.582 373 HG LEU 48 HG LEU 48 3.040 4.613 -13.230 374 1HD1 LEU 48 1HD1 LEU 48 4.043 1.838 -13.932 375 2HD1 LEU 48 2HD1 LEU 48 3.629 3.070 -15.124 376 3HD1 LEU 48 3HD1 LEU 48 2.385 2.423 -14.055 377 1HD2 LEU 48 1HD2 LEU 48 4.481 3.469 -11.115 378 2HD2 LEU 48 2HD2 LEU 48 3.505 2.142 -11.749 379 3HD2 LEU 48 3HD2 LEU 48 2.729 3.633 -11.214 380 H GLY 49 H GLY 49 8.010 4.517 -14.698 381 1HA GLY 49 2HA GLY 49 9.469 6.480 -15.421 382 2HA GLY 49 1HA GLY 49 8.632 7.359 -14.150 383 H GLN 50 H GLN 50 8.978 4.218 -13.043 384 HA GLN 50 HA GLN 50 11.606 4.797 -11.804 385 1HB GLN 50 2HB GLN 50 9.302 3.424 -10.402 386 2HB GLN 50 1HB GLN 50 10.833 3.940 -9.696 387 1HG GLN 50 2HG GLN 50 9.781 5.862 -9.141 388 2HG GLN 50 1HG GLN 50 9.835 6.264 -10.857 389 1HE2 GLN 50 1HE2 GLN 50 7.824 6.663 -11.786 390 2HE2 GLN 50 2HE2 GLN 50 6.345 6.086 -11.185 391 H ASN 51 H ASN 51 13.064 3.202 -11.901 392 HA ASN 51 HA ASN 51 12.117 0.479 -12.559 393 1HB ASN 51 2HB ASN 51 14.231 0.271 -13.974 394 2HB ASN 51 1HB ASN 51 12.941 1.271 -14.636 395 1HD2 ASN 51 1HD2 ASN 51 13.228 3.660 -14.507 396 2HD2 ASN 51 2HD2 ASN 51 14.785 4.316 -14.337 397 HA PRO 52 HA PRO 52 15.017 0.293 -8.971 398 1HB PRO 52 2HB PRO 52 13.274 -0.927 -7.252 399 2HB PRO 52 1HB PRO 52 13.380 0.827 -7.463 400 1HG PRO 52 2HG PRO 52 11.296 -1.050 -8.382 401 2HG PRO 52 1HG PRO 52 11.184 0.684 -8.052 402 1HD PRO 52 2HD PRO 52 11.402 -0.563 -10.612 403 2HD PRO 52 1HD PRO 52 11.468 1.180 -10.258 404 H THR 53 H THR 53 14.813 -1.965 -7.314 405 HA THR 53 HA THR 53 15.471 -4.141 -9.195 406 HB THR 53 HB THR 53 16.881 -5.038 -7.537 407 HG1 THR 53 HG1 THR 53 16.407 -4.968 -5.491 408 1HG2 THR 53 1HG2 THR 53 16.937 -2.069 -6.978 409 2HG2 THR 53 2HG2 THR 53 17.707 -2.848 -8.360 410 3HG2 THR 53 3HG2 THR 53 18.257 -3.209 -6.724 411 HA PRO 54 HA PRO 54 12.031 -6.578 -7.891 412 1HB PRO 54 2HB PRO 54 13.084 -9.054 -7.347 413 2HB PRO 54 1HB PRO 54 12.846 -8.409 -8.980 414 1HG PRO 54 2HG PRO 54 15.351 -8.664 -7.396 415 2HG PRO 54 1HG PRO 54 15.107 -8.762 -9.148 416 1HD PRO 54 2HD PRO 54 16.124 -6.547 -7.806 417 2HD PRO 54 1HD PRO 54 15.405 -6.499 -9.431 418 H GLU 55 H GLU 55 14.756 -6.531 -5.685 419 HA GLU 55 HA GLU 55 13.237 -7.491 -3.404 420 1HB GLU 55 2HB GLU 55 15.941 -6.122 -3.452 421 2HB GLU 55 1HB GLU 55 15.243 -7.021 -2.107 422 1HG GLU 55 2HG GLU 55 15.949 -8.181 -4.823 423 2HG GLU 55 1HG GLU 55 16.882 -8.398 -3.343 424 H GLU 56 H GLU 56 14.333 -4.407 -4.757 425 HA GLU 56 HA GLU 56 13.504 -2.790 -2.545 426 1HB GLU 56 2HB GLU 56 14.368 -2.266 -5.362 427 2HB GLU 56 1HB GLU 56 13.577 -0.977 -4.454 428 1HG GLU 56 2HG GLU 56 15.242 -1.398 -2.592 429 2HG GLU 56 1HG GLU 56 16.104 -2.467 -3.700 430 H LEU 57 H LEU 57 11.998 -3.716 -5.637 431 HA LEU 57 HA LEU 57 9.682 -2.069 -5.240 432 1HB LEU 57 2HB LEU 57 8.775 -3.165 -7.179 433 2HB LEU 57 1HB LEU 57 10.434 -2.710 -7.476 434 HG LEU 57 HG LEU 57 10.922 -5.213 -6.790 435 1HD1 LEU 57 1HD1 LEU 57 8.866 -6.501 -7.900 436 2HD1 LEU 57 2HD1 LEU 57 7.972 -5.112 -7.283 437 3HD1 LEU 57 3HD1 LEU 57 8.885 -6.135 -6.173 438 1HD2 LEU 57 1HD2 LEU 57 11.310 -4.151 -9.014 439 2HD2 LEU 57 2HD2 LEU 57 9.630 -4.483 -9.439 440 3HD2 LEU 57 3HD2 LEU 57 10.750 -5.817 -9.160 441 H GLN 58 H GLN 58 10.603 -5.286 -4.256 442 HA GLN 58 HA GLN 58 8.083 -6.467 -3.919 443 1HB GLN 58 2HB GLN 58 10.790 -7.024 -3.065 444 2HB GLN 58 1HB GLN 58 9.646 -7.375 -1.771 445 1HG GLN 58 2HG GLN 58 9.404 -8.380 -4.624 446 2HG GLN 58 1HG GLN 58 9.989 -9.334 -3.262 447 1HE2 GLN 58 1HE2 GLN 58 7.120 -8.103 -4.840 448 2HE2 GLN 58 2HE2 GLN 58 5.995 -8.785 -3.769 449 H GLU 59 H GLU 59 10.035 -4.666 -1.508 450 HA GLU 59 HA GLU 59 8.147 -4.774 0.576 451 1HB GLU 59 2HB GLU 59 9.354 -2.930 1.601 452 2HB GLU 59 1HB GLU 59 10.506 -4.060 0.891 453 1HG GLU 59 2HG GLU 59 10.149 -2.422 -1.222 454 2HG GLU 59 1HG GLU 59 9.833 -1.277 0.079 455 H MET 60 H MET 60 8.393 -2.609 -2.197 456 HA MET 60 HA MET 60 6.528 -0.653 -1.297 457 1HB MET 60 2HB MET 60 7.133 -1.436 -4.159 458 2HB MET 60 1HB MET 60 6.422 0.081 -3.607 459 1HG MET 60 2HG MET 60 8.596 0.279 -2.164 460 2HG MET 60 1HG MET 60 9.246 -0.903 -3.298 461 1HE MET 60 1HE MET 60 8.878 3.348 -3.334 462 2HE MET 60 2HE MET 60 7.920 2.213 -2.386 463 3HE MET 60 3HE MET 60 7.235 2.934 -3.840 464 H ILE 61 H ILE 61 6.262 -3.627 -3.166 465 HA ILE 61 HA ILE 61 3.486 -3.444 -3.753 466 HB ILE 61 HB ILE 61 5.277 -5.879 -3.524 467 1HG1 ILE 61 2HG1 ILE 61 4.260 -4.695 -6.088 468 2HG1 ILE 61 1HG1 ILE 61 5.631 -3.929 -5.283 469 1HG2 ILE 61 1HG2 ILE 61 3.550 -7.084 -4.711 470 2HG2 ILE 61 2HG2 ILE 61 2.586 -5.620 -4.897 471 3HG2 ILE 61 3HG2 ILE 61 2.802 -6.337 -3.301 472 1HD1 ILE 61 1HD1 ILE 61 6.101 -5.814 -7.022 473 2HD1 ILE 61 2HD1 ILE 61 5.606 -6.905 -5.729 474 3HD1 ILE 61 3HD1 ILE 61 6.985 -5.832 -5.496 475 H ASP 62 H ASP 62 5.302 -5.158 -1.199 476 HA ASP 62 HA ASP 62 3.204 -6.375 0.150 477 1HB ASP 62 2HB ASP 62 5.732 -5.136 1.259 478 2HB ASP 62 1HB ASP 62 4.626 -6.116 2.219 479 H GLU 63 H GLU 63 4.210 -2.990 0.228 480 HA GLU 63 HA GLU 63 2.524 -2.259 2.444 481 1HB GLU 63 2HB GLU 63 4.075 -0.688 0.391 482 2HB GLU 63 1HB GLU 63 3.008 0.106 1.550 483 1HG GLU 63 2HG GLU 63 4.304 -1.358 3.313 484 2HG GLU 63 1HG GLU 63 5.536 -1.438 2.053 485 H VAL 64 H VAL 64 2.350 -1.548 -1.075 486 HA VAL 64 HA VAL 64 -0.238 -0.378 -0.950 487 HB VAL 64 HB VAL 64 1.300 0.058 -2.819 488 1HG1 VAL 64 1HG1 VAL 64 1.798 -1.594 -4.485 489 2HG1 VAL 64 2HG1 VAL 64 0.661 -2.742 -3.778 490 3HG1 VAL 64 3HG1 VAL 64 2.149 -2.335 -2.924 491 1HG2 VAL 64 1HG2 VAL 64 -0.385 0.288 -4.392 492 2HG2 VAL 64 2HG2 VAL 64 -1.358 -0.036 -2.957 493 3HG2 VAL 64 3HG2 VAL 64 -1.019 -1.332 -4.103 494 H ASP 65 H ASP 65 0.844 -3.697 -1.513 495 HA ASP 65 HA ASP 65 -1.786 -4.677 -2.188 496 1HB ASP 65 2HB ASP 65 0.827 -5.654 -2.434 497 2HB ASP 65 1HB ASP 65 0.071 -6.708 -1.245 498 H GLU 66 H GLU 66 -3.236 -4.343 -0.569 499 HA GLU 66 HA GLU 66 -2.731 -4.495 2.196 500 1HB GLU 66 2HB GLU 66 -5.381 -5.090 0.855 501 2HB GLU 66 1HB GLU 66 -5.125 -4.535 2.510 502 1HG GLU 66 2HG GLU 66 -3.871 -2.537 1.291 503 2HG GLU 66 1HG GLU 66 -4.903 -3.011 -0.057 504 H ASP 67 H ASP 67 -4.011 -6.914 -0.062 505 HA ASP 67 HA ASP 67 -4.145 -8.972 1.968 506 1HB ASP 67 2HB ASP 67 -4.631 -10.475 -0.025 507 2HB ASP 67 1HB ASP 67 -5.780 -9.171 0.252 508 H GLY 68 H GLY 68 -1.963 -8.131 -0.697 509 1HA GLY 68 2HA GLY 68 0.264 -8.691 -1.007 510 2HA GLY 68 1HA GLY 68 0.223 -9.532 0.541 511 H SER 69 H SER 69 -1.685 -9.967 -2.428 512 HA SER 69 HA SER 69 -1.303 -12.848 -2.298 513 1HB SER 69 2HB SER 69 -2.858 -12.881 -4.234 514 2HB SER 69 1HB SER 69 -3.514 -12.010 -2.851 515 HG SER 69 HG SER 69 -3.651 -10.350 -4.121 516 H GLY 70 H GLY 70 0.638 -10.457 -3.492 517 1HA GLY 70 2HA GLY 70 2.500 -10.599 -4.859 518 2HA GLY 70 1HA GLY 70 2.049 -12.258 -5.243 519 H THR 71 H THR 71 -0.373 -9.807 -5.585 520 HA THR 71 HA THR 71 0.132 -9.458 -8.447 521 HB THR 71 HB THR 71 -2.102 -10.166 -9.086 522 HG1 THR 71 HG1 THR 71 -3.330 -9.730 -7.333 523 1HG2 THR 71 1HG2 THR 71 -1.941 -12.578 -8.571 524 2HG2 THR 71 2HG2 THR 71 -0.760 -12.222 -7.308 525 3HG2 THR 71 3HG2 THR 71 -0.367 -11.907 -9.001 526 H VAL 72 H VAL 72 -0.265 -7.408 -9.030 527 HA VAL 72 HA VAL 72 -1.508 -5.619 -7.090 528 HB VAL 72 HB VAL 72 -0.509 -4.819 -9.819 529 1HG1 VAL 72 1HG1 VAL 72 -0.196 -2.656 -8.721 530 2HG1 VAL 72 2HG1 VAL 72 -0.689 -3.346 -7.175 531 3HG1 VAL 72 3HG1 VAL 72 -1.857 -3.204 -8.488 532 1HG2 VAL 72 1HG2 VAL 72 1.074 -5.122 -7.249 533 2HG2 VAL 72 2HG2 VAL 72 1.655 -4.295 -8.693 534 3HG2 VAL 72 3HG2 VAL 72 1.325 -6.028 -8.742 535 H ASP 73 H ASP 73 -3.601 -5.310 -7.076 536 HA ASP 73 HA ASP 73 -5.272 -5.920 -9.377 537 1HB ASP 73 2HB ASP 73 -5.909 -4.819 -6.622 538 2HB ASP 73 1HB ASP 73 -7.126 -5.144 -7.856 539 H PHE 74 H PHE 74 -6.961 -4.183 -10.019 540 HA PHE 74 HA PHE 74 -5.596 -1.942 -11.028 541 1HB PHE 74 2HB PHE 74 -7.791 -2.894 -11.889 542 2HB PHE 74 1HB PHE 74 -8.581 -2.009 -10.582 543 HD1 PHE 74 HD1 PHE 74 -5.673 -1.186 -12.786 544 HD2 PHE 74 HD2 PHE 74 -9.630 -0.131 -11.498 545 HE1 PHE 74 HE1 PHE 74 -5.569 0.891 -14.148 546 HE2 PHE 74 HE2 PHE 74 -9.522 1.942 -12.853 547 HZ PHE 74 HZ PHE 74 -7.494 2.451 -14.177 548 H ASP 75 H ASP 75 -7.492 -2.363 -8.070 549 HA ASP 75 HA ASP 75 -7.569 0.380 -7.309 550 1HB ASP 75 2HB ASP 75 -8.881 -1.675 -6.342 551 2HB ASP 75 1HB ASP 75 -7.477 -1.842 -5.287 552 H GLU 76 H GLU 76 -5.313 -2.281 -6.646 553 HA GLU 76 HA GLU 76 -3.581 -0.713 -4.960 554 1HB GLU 76 2HB GLU 76 -2.983 -3.322 -6.379 555 2HB GLU 76 1HB GLU 76 -2.100 -2.638 -5.013 556 1HG GLU 76 2HG GLU 76 -4.024 -2.886 -3.560 557 2HG GLU 76 1HG GLU 76 -5.045 -3.365 -4.912 558 H PHE 77 H PHE 77 -3.924 -1.249 -8.368 559 HA PHE 77 HA PHE 77 -1.288 -0.600 -9.222 560 1HB PHE 77 2HB PHE 77 -3.414 -1.645 -10.475 561 2HB PHE 77 1HB PHE 77 -3.655 0.032 -10.928 562 HD1 PHE 77 HD1 PHE 77 -3.366 -0.749 -13.263 563 HD2 PHE 77 HD2 PHE 77 -0.163 -0.986 -10.391 564 HE1 PHE 77 HE1 PHE 77 -1.732 -1.030 -15.092 565 HE2 PHE 77 HE2 PHE 77 1.460 -1.258 -12.238 566 HZ PHE 77 HZ PHE 77 0.671 -1.285 -14.589 567 H LEU 78 H LEU 78 -4.319 1.289 -9.208 568 HA LEU 78 HA LEU 78 -3.122 3.759 -9.949 569 1HB LEU 78 2HB LEU 78 -5.756 2.939 -8.798 570 2HB LEU 78 1HB LEU 78 -5.320 4.637 -8.780 571 HG LEU 78 HG LEU 78 -5.318 4.764 -11.153 572 1HD1 LEU 78 1HD1 LEU 78 -5.603 1.753 -11.274 573 2HD1 LEU 78 2HD1 LEU 78 -4.073 2.603 -11.488 574 3HD1 LEU 78 3HD1 LEU 78 -5.391 2.860 -12.631 575 1HD2 LEU 78 1HD2 LEU 78 -7.550 2.900 -10.291 576 2HD2 LEU 78 2HD2 LEU 78 -7.554 3.876 -11.760 577 3HD2 LEU 78 3HD2 LEU 78 -7.569 4.660 -10.182 578 H VAL 79 H VAL 79 -3.700 2.174 -6.854 579 HA VAL 79 HA VAL 79 -3.236 4.391 -5.150 580 HB VAL 79 HB VAL 79 -3.179 1.414 -4.840 581 1HG1 VAL 79 1HG1 VAL 79 -2.460 1.687 -2.466 582 2HG1 VAL 79 2HG1 VAL 79 -2.060 3.371 -2.811 583 3HG1 VAL 79 3HG1 VAL 79 -1.178 2.072 -3.618 584 1HG2 VAL 79 1HG2 VAL 79 -4.468 3.507 -3.087 585 2HG2 VAL 79 2HG2 VAL 79 -4.951 1.828 -3.327 586 3HG2 VAL 79 3HG2 VAL 79 -5.202 3.011 -4.611 587 H MET 80 H MET 80 -1.059 1.837 -6.348 588 HA MET 80 HA MET 80 1.324 2.519 -5.161 589 1HB MET 80 2HB MET 80 0.558 0.839 -7.239 590 2HB MET 80 1HB MET 80 1.715 1.937 -7.993 591 1HG MET 80 2HG MET 80 2.472 0.909 -5.314 592 2HG MET 80 1HG MET 80 2.451 -0.280 -6.616 593 1HE MET 80 1HE MET 80 3.584 1.477 -9.336 594 2HE MET 80 2HE MET 80 3.367 -0.139 -8.669 595 3HE MET 80 3HE MET 80 4.990 0.455 -9.008 596 H MET 81 H MET 81 -0.300 4.194 -7.805 597 HA MET 81 HA MET 81 1.866 5.794 -8.687 598 1HB MET 81 2HB MET 81 -0.405 5.444 -9.824 599 2HB MET 81 1HB MET 81 -1.026 6.659 -8.709 600 1HG MET 81 2HG MET 81 1.287 7.839 -9.673 601 2HG MET 81 1HG MET 81 0.654 7.000 -11.089 602 1HE MET 81 1HE MET 81 -3.107 8.019 -10.777 603 2HE MET 81 2HE MET 81 -2.008 6.646 -10.768 604 3HE MET 81 3HE MET 81 -2.047 7.723 -12.160 605 H VAL 82 H VAL 82 -0.851 6.592 -6.499 606 HA VAL 82 HA VAL 82 0.209 9.118 -5.714 607 HB VAL 82 HB VAL 82 -1.443 8.978 -3.839 608 1HG1 VAL 82 1HG1 VAL 82 -2.469 8.273 -6.603 609 2HG1 VAL 82 2HG1 VAL 82 -2.065 9.893 -6.035 610 3HG1 VAL 82 3HG1 VAL 82 -3.421 9.020 -5.320 611 1HG2 VAL 82 1HG2 VAL 82 -2.920 7.091 -3.664 612 2HG2 VAL 82 2HG2 VAL 82 -1.276 6.449 -3.665 613 3HG2 VAL 82 3HG2 VAL 82 -2.257 6.362 -5.127 614 H ARG 83 H ARG 83 0.727 5.855 -4.588 615 HA ARG 83 HA ARG 83 1.738 6.372 -2.006 616 1HB ARG 83 2HB ARG 83 2.338 4.172 -3.992 617 2HB ARG 83 1HB ARG 83 3.026 4.209 -2.367 618 1HG ARG 83 2HG ARG 83 0.383 4.654 -1.825 619 2HG ARG 83 1HG ARG 83 0.266 3.600 -3.232 620 1HD ARG 83 2HD ARG 83 0.363 2.074 -1.452 621 2HD ARG 83 1HD ARG 83 2.031 2.138 -2.009 622 HE ARG 83 HE ARG 83 2.618 3.114 0.013 623 1HH1 ARG 83 2HH1 ARG 83 -0.846 3.282 -0.429 624 2HH1 ARG 83 1HH1 ARG 83 -1.145 3.870 1.170 625 1HH2 ARG 83 1HH2 ARG 83 2.197 3.885 2.103 626 2HH2 ARG 83 2HH2 ARG 83 0.569 4.210 2.599 627 H CYS 84 H CYS 84 3.212 6.542 -5.200 628 HA CYS 84 HA CYS 84 5.886 6.996 -4.152 629 1HB CYS 84 2HB CYS 84 5.209 5.868 -6.418 630 2HB CYS 84 1HB CYS 84 5.112 7.530 -7.001 631 HG CYS 84 HG CYS 84 7.616 6.317 -7.104 632 H MET 85 H MET 85 3.360 8.901 -5.803 633 HA MET 85 HA MET 85 4.794 11.345 -5.886 634 1HB MET 85 2HB MET 85 2.578 10.625 -7.091 635 2HB MET 85 1HB MET 85 1.804 11.271 -5.644 636 1HG MET 85 2HG MET 85 1.898 13.183 -6.947 637 2HG MET 85 1HG MET 85 3.430 13.314 -6.085 638 1HE MET 85 1HE MET 85 4.594 14.657 -7.313 639 2HE MET 85 2HE MET 85 5.367 14.382 -8.871 640 3HE MET 85 3HE MET 85 5.851 13.423 -7.476 641 H LYS 86 H LYS 86 2.690 9.874 -3.468 642 HA LYS 86 HA LYS 86 2.454 10.272 -1.225 643 1HB LYS 86 2HB LYS 86 4.969 11.142 -1.585 644 2HB LYS 86 1HB LYS 86 4.200 12.677 -1.178 645 1HG LYS 86 2HG LYS 86 4.905 11.725 0.900 646 2HG LYS 86 1HG LYS 86 3.160 11.479 0.821 647 1HD LYS 86 2HD LYS 86 3.828 9.344 1.417 648 2HD LYS 86 1HD LYS 86 3.884 9.194 -0.339 649 1HE LYS 86 2HE LYS 86 6.276 9.636 -0.351 650 2HE LYS 86 1HE LYS 86 6.260 9.954 1.383 651 1HZ LYS 86 1HZ LYS 86 7.018 7.718 0.934 652 2HZ LYS 86 2HZ LYS 86 5.593 7.371 0.076 653 3HZ LYS 86 3HZ LYS 86 5.531 7.670 1.748 654 H ASP 87 H ASP 87 0.482 10.966 -0.834 655 HA ASP 87 HA ASP 87 -0.589 13.408 -1.921 656 1HB ASP 87 2HB ASP 87 -1.614 11.229 -0.145 657 2HB ASP 87 1HB ASP 87 -2.478 12.766 -0.184 658 H ASP 88 H ASP 88 0.913 12.469 1.097 659 HA ASP 88 HA ASP 88 -0.015 14.765 2.581 660 1HB ASP 88 2HB ASP 88 0.735 12.422 3.482 661 2HB ASP 88 1HB ASP 88 2.353 13.116 3.402 662 H SER 89 HN SER 89 0.668 16.321 0.957 663 HA SER 89 HA SER 89 3.434 16.806 0.402 664 1HB SER 89 2HB SER 89 0.910 18.392 0.006 665 2HB SER 89 1HB SER 89 2.483 19.141 -0.254 666 HG SER 89 HG SER 89 2.527 18.140 -2.090 Start of MODEL 36 1 1H MET 1 1H MET 1 -7.182 4.651 9.601 2 2H MET 1 2H MET 1 -7.220 3.666 8.217 3 3H MET 1 3H MET 1 -7.115 5.356 8.061 4 HA MET 1 HA MET 1 -4.932 5.344 9.103 5 1HB MET 1 2HB MET 1 -5.651 3.023 10.234 6 2HB MET 1 1HB MET 1 -4.804 2.372 8.831 7 1HG MET 1 2HG MET 1 -3.136 2.588 10.515 8 2HG MET 1 1HG MET 1 -2.888 3.966 9.443 9 1HE MET 1 1HE MET 1 -3.685 2.545 12.701 10 2HE MET 1 2HE MET 1 -3.568 3.904 13.817 11 3HE MET 1 3HE MET 1 -2.175 3.457 12.834 12 H ASN 2 H ASN 2 -3.562 5.857 7.526 13 HA ASN 2 HA ASN 2 -2.579 6.019 5.460 14 1HB ASN 2 2HB ASN 2 -3.185 3.059 5.233 15 2HB ASN 2 1HB ASN 2 -1.963 3.962 4.340 16 1HD2 ASN 2 1HD2 ASN 2 -0.881 5.546 6.466 17 2HD2 ASN 2 2HD2 ASN 2 -0.128 4.506 7.579 18 H ASP 3 H ASP 3 -5.301 6.701 5.610 19 HA ASP 3 HA ASP 3 -6.524 5.652 3.156 20 1HB ASP 3 2HB ASP 3 -8.546 6.791 3.877 21 2HB ASP 3 1HB ASP 3 -7.904 5.837 5.213 22 H ILE 4 H ILE 4 -4.262 7.893 3.680 23 HA ILE 4 HA ILE 4 -5.280 10.247 2.469 24 HB ILE 4 HB ILE 4 -3.006 10.990 2.245 25 1HG1 ILE 4 2HG1 ILE 4 -2.205 8.701 1.335 26 2HG1 ILE 4 1HG1 ILE 4 -1.085 9.611 2.340 27 1HG2 ILE 4 1HG2 ILE 4 -2.211 10.714 4.543 28 2HG2 ILE 4 2HG2 ILE 4 -3.272 9.324 4.764 29 3HG2 ILE 4 3HG2 ILE 4 -3.961 10.929 4.524 30 1HD1 ILE 4 1HD1 ILE 4 -2.226 8.195 4.288 31 2HD1 ILE 4 2HD1 ILE 4 -0.906 7.529 3.331 32 3HD1 ILE 4 3HD1 ILE 4 -2.572 7.090 2.959 33 H TYR 5 H TYR 5 -4.135 7.233 1.174 34 HA TYR 5 HA TYR 5 -3.665 8.176 -1.507 35 1HB TYR 5 2HB TYR 5 -4.231 5.329 -0.647 36 2HB TYR 5 1HB TYR 5 -3.382 5.864 -2.096 37 HD1 TYR 5 HD1 TYR 5 -1.300 7.482 -1.608 38 HD2 TYR 5 HD2 TYR 5 -2.955 4.669 1.184 39 HE1 TYR 5 HE1 TYR 5 0.834 7.477 -0.346 40 HE2 TYR 5 HE2 TYR 5 -0.820 4.661 2.444 41 HH TYR 5 HH TYR 5 1.262 6.705 2.543 42 H LYS 6 H LYS 6 -6.378 6.852 0.294 43 HA LYS 6 HA LYS 6 -8.096 6.223 -1.855 44 1HB LYS 6 2HB LYS 6 -8.303 5.779 0.742 45 2HB LYS 6 1HB LYS 6 -9.211 7.290 0.706 46 1HG LYS 6 2HG LYS 6 -10.748 6.393 -0.948 47 2HG LYS 6 1HG LYS 6 -9.786 4.923 -1.100 48 1HD LYS 6 2HD LYS 6 -10.943 5.776 1.556 49 2HD LYS 6 1HD LYS 6 -11.878 4.815 0.411 50 1HE LYS 6 2HE LYS 6 -10.611 2.939 0.743 51 2HE LYS 6 1HE LYS 6 -9.119 3.859 0.942 52 1HZ LYS 6 1HZ LYS 6 -9.896 4.532 3.147 53 2HZ LYS 6 2HZ LYS 6 -9.759 2.844 3.017 54 3HZ LYS 6 3HZ LYS 6 -11.288 3.582 2.953 55 H ALA 7 H ALA 7 -7.265 9.275 -0.346 56 HA ALA 7 HA ALA 7 -9.480 10.818 -1.169 57 1HB ALA 7 1HB ALA 7 -7.803 12.752 -1.034 58 2HB ALA 7 2HB ALA 7 -6.616 11.540 -0.553 59 3HB ALA 7 3HB ALA 7 -8.051 11.810 0.437 60 H ALA 8 H ALA 8 -6.428 10.018 -2.817 61 HA ALA 8 HA ALA 8 -6.935 11.732 -5.072 62 1HB ALA 8 1HB ALA 8 -4.645 11.150 -4.537 63 2HB ALA 8 2HB ALA 8 -5.044 10.486 -6.121 64 3HB ALA 8 3HB ALA 8 -5.004 9.432 -4.708 65 H VAL 9 H VAL 9 -7.232 8.233 -4.497 66 HA VAL 9 HA VAL 9 -8.083 7.582 -7.124 67 HB VAL 9 HB VAL 9 -7.186 5.967 -5.400 68 1HG1 VAL 9 1HG1 VAL 9 -8.771 5.001 -3.809 69 2HG1 VAL 9 2HG1 VAL 9 -10.034 6.097 -4.369 70 3HG1 VAL 9 3HG1 VAL 9 -8.621 6.735 -3.531 71 1HG2 VAL 9 1HG2 VAL 9 -9.852 5.019 -6.438 72 2HG2 VAL 9 2HG2 VAL 9 -8.317 4.153 -6.376 73 3HG2 VAL 9 3HG2 VAL 9 -8.558 5.436 -7.561 74 H GLU 10 H GLU 10 -9.744 9.001 -4.430 75 HA GLU 10 HA GLU 10 -12.397 8.284 -5.343 76 1HB GLU 10 2HB GLU 10 -11.287 9.920 -3.098 77 2HB GLU 10 1HB GLU 10 -12.963 10.175 -3.588 78 1HG GLU 10 2HG GLU 10 -13.380 7.734 -3.344 79 2HG GLU 10 1HG GLU 10 -11.724 7.528 -2.774 80 H GLN 11 H GLN 11 -10.110 10.814 -5.991 81 HA GLN 11 HA GLN 11 -12.174 12.188 -7.606 82 1HB GLN 11 2HB GLN 11 -10.945 14.364 -7.033 83 2HB GLN 11 1HB GLN 11 -11.962 13.673 -5.770 84 1HG GLN 11 2HG GLN 11 -10.176 13.057 -4.469 85 2HG GLN 11 1HG GLN 11 -9.116 12.790 -5.850 86 1HE2 GLN 11 1HE2 GLN 11 -8.813 14.503 -3.304 87 2HE2 GLN 11 2HE2 GLN 11 -8.375 16.031 -3.893 88 H LEU 12 H LEU 12 -10.174 10.225 -8.361 89 HA LEU 12 HA LEU 12 -8.005 11.624 -9.657 90 1HB LEU 12 2HB LEU 12 -7.751 9.360 -10.858 91 2HB LEU 12 1HB LEU 12 -7.386 9.466 -9.155 92 HG LEU 12 HG LEU 12 -9.330 8.260 -8.559 93 1HD1 LEU 12 1HD1 LEU 12 -11.050 9.258 -9.863 94 2HD1 LEU 12 2HD1 LEU 12 -10.990 7.578 -10.394 95 3HD1 LEU 12 3HD1 LEU 12 -10.250 8.839 -11.378 96 1HD2 LEU 12 1HD2 LEU 12 -7.607 7.281 -10.709 97 2HD2 LEU 12 2HD2 LEU 12 -9.161 6.444 -10.654 98 3HD2 LEU 12 3HD2 LEU 12 -8.123 6.472 -9.229 99 H THR 13 H THR 13 -7.696 10.889 -12.131 100 HA THR 13 HA THR 13 -10.133 11.830 -13.524 101 HB THR 13 HB THR 13 -8.143 12.206 -15.343 102 HG1 THR 13 HG1 THR 13 -6.338 12.093 -14.311 103 1HG2 THR 13 1HG2 THR 13 -8.119 14.610 -14.219 104 2HG2 THR 13 2HG2 THR 13 -9.448 13.924 -13.284 105 3HG2 THR 13 3HG2 THR 13 -9.550 13.996 -15.045 106 H ASP 14 H ASP 14 -10.253 11.116 -15.828 107 HA ASP 14 HA ASP 14 -10.214 8.262 -15.967 108 1HB ASP 14 2HB ASP 14 -11.625 10.144 -17.305 109 2HB ASP 14 1HB ASP 14 -10.375 9.802 -18.500 110 H GLU 15 H GLU 15 -8.100 10.848 -17.072 111 HA GLU 15 HA GLU 15 -6.438 9.211 -18.740 112 1HB GLU 15 2HB GLU 15 -6.053 11.923 -17.467 113 2HB GLU 15 1HB GLU 15 -4.794 11.146 -18.427 114 1HG GLU 15 2HG GLU 15 -7.601 11.488 -19.488 115 2HG GLU 15 1HG GLU 15 -6.387 12.756 -19.664 116 H GLN 16 H GLN 16 -6.440 10.126 -15.331 117 HA GLN 16 HA GLN 16 -3.844 9.198 -14.661 118 1HB GLN 16 2HB GLN 16 -5.400 10.659 -13.237 119 2HB GLN 16 1HB GLN 16 -6.213 9.160 -12.787 120 1HG GLN 16 2HG GLN 16 -3.776 8.328 -12.253 121 2HG GLN 16 1HG GLN 16 -3.411 10.050 -12.174 122 1HE2 GLN 16 1HE2 GLN 16 -5.505 11.210 -10.898 123 2HE2 GLN 16 2HE2 GLN 16 -5.779 10.503 -9.382 124 H LYS 17 H LYS 17 -7.052 7.647 -14.385 125 HA LYS 17 HA LYS 17 -5.972 5.141 -13.513 126 1HB LYS 17 2HB LYS 17 -8.258 4.248 -13.965 127 2HB LYS 17 1HB LYS 17 -8.257 5.669 -12.924 128 1HG LYS 17 2HG LYS 17 -8.590 7.002 -15.144 129 2HG LYS 17 1HG LYS 17 -9.093 5.445 -15.806 130 1HD LYS 17 2HD LYS 17 -10.265 6.653 -13.289 131 2HD LYS 17 1HD LYS 17 -10.982 6.847 -14.887 132 1HE LYS 17 2HE LYS 17 -12.080 4.911 -14.481 133 2HE LYS 17 1HE LYS 17 -10.530 4.108 -14.719 134 1HZ LYS 17 1HZ LYS 17 -11.564 5.126 -12.126 135 2HZ LYS 17 2HZ LYS 17 -10.080 4.333 -12.361 136 3HZ LYS 17 3HZ LYS 17 -11.539 3.500 -12.606 137 H ASN 18 H ASN 18 -6.750 6.549 -16.648 138 HA ASN 18 HA ASN 18 -6.663 4.171 -18.198 139 1HB ASN 18 2HB ASN 18 -6.379 7.088 -18.777 140 2HB ASN 18 1HB ASN 18 -5.808 5.950 -19.995 141 1HD2 ASN 18 1HD2 ASN 18 -8.118 7.687 -20.351 142 2HD2 ASN 18 2HD2 ASN 18 -9.481 6.687 -20.510 143 H GLU 19 H GLU 19 -4.173 6.376 -17.015 144 HA GLU 19 HA GLU 19 -1.979 5.551 -18.539 145 1HB GLU 19 2HB GLU 19 -2.005 7.465 -16.906 146 2HB GLU 19 1HB GLU 19 -1.900 6.284 -15.601 147 1HG GLU 19 2HG GLU 19 0.239 5.504 -16.360 148 2HG GLU 19 1HG GLU 19 0.100 6.403 -17.872 149 H PHE 20 H PHE 20 -3.165 4.275 -15.424 150 HA PHE 20 HA PHE 20 -1.241 2.115 -15.402 151 1HB PHE 20 2HB PHE 20 -3.552 2.916 -13.663 152 2HB PHE 20 1HB PHE 20 -2.836 1.314 -13.500 153 HD1 PHE 20 HD1 PHE 20 -2.276 4.930 -13.122 154 HD2 PHE 20 HD2 PHE 20 -0.533 1.027 -12.723 155 HE1 PHE 20 HE1 PHE 20 -0.428 5.892 -11.785 156 HE2 PHE 20 HE2 PHE 20 1.311 1.983 -11.375 157 HZ PHE 20 HZ PHE 20 1.369 4.419 -10.910 158 H LYS 21 H LYS 21 -4.750 2.412 -15.964 159 HA LYS 21 HA LYS 21 -5.435 -0.253 -16.273 160 1HB LYS 21 2HB LYS 21 -7.044 1.642 -16.295 161 2HB LYS 21 1HB LYS 21 -6.513 2.038 -17.928 162 1HG LYS 21 2HG LYS 21 -7.256 -0.794 -17.535 163 2HG LYS 21 1HG LYS 21 -8.589 0.346 -17.349 164 1HD LYS 21 2HD LYS 21 -7.605 1.391 -19.565 165 2HD LYS 21 1HD LYS 21 -6.896 -0.212 -19.763 166 1HE LYS 21 2HE LYS 21 -9.474 -0.834 -19.047 167 2HE LYS 21 1HE LYS 21 -9.709 0.637 -19.991 168 1HZ LYS 21 1HZ LYS 21 -8.224 -1.782 -20.865 169 2HZ LYS 21 2HZ LYS 21 -8.387 -0.354 -21.770 170 3HZ LYS 21 3HZ LYS 21 -9.754 -1.298 -21.413 171 H ALA 22 H ALA 22 -3.879 1.900 -18.625 172 HA ALA 22 HA ALA 22 -4.078 0.288 -20.920 173 1HB ALA 22 1HB ALA 22 -2.075 1.491 -21.722 174 2HB ALA 22 2HB ALA 22 -1.809 2.122 -20.097 175 3HB ALA 22 3HB ALA 22 -3.243 2.601 -21.004 176 H ALA 23 H ALA 23 -1.441 0.500 -18.528 177 HA ALA 23 HA ALA 23 0.045 -1.704 -19.551 178 1HB ALA 23 1HB ALA 23 0.437 0.257 -17.579 179 2HB ALA 23 2HB ALA 23 1.568 -1.014 -18.045 180 3HB ALA 23 3HB ALA 23 0.446 -1.278 -16.710 181 H PHE 24 H PHE 24 -2.508 -1.339 -17.161 182 HA PHE 24 HA PHE 24 -2.363 -3.854 -15.910 183 1HB PHE 24 2HB PHE 24 -3.839 -1.788 -15.339 184 2HB PHE 24 1HB PHE 24 -4.987 -2.493 -16.474 185 HD1 PHE 24 HD1 PHE 24 -5.807 -4.863 -16.089 186 HD2 PHE 24 HD2 PHE 24 -3.560 -2.683 -13.156 187 HE1 PHE 24 HE1 PHE 24 -6.562 -6.442 -14.331 188 HE2 PHE 24 HE2 PHE 24 -4.312 -4.254 -11.404 189 HZ PHE 24 HZ PHE 24 -5.816 -6.130 -11.992 190 H ASP 25 H ASP 25 -4.051 -2.796 -18.850 191 HA ASP 25 HA ASP 25 -5.446 -5.196 -19.368 192 1HB ASP 25 2HB ASP 25 -5.490 -2.751 -20.497 193 2HB ASP 25 1HB ASP 25 -4.513 -3.603 -21.693 194 H ILE 26 H ILE 26 -2.241 -4.071 -20.455 195 HA ILE 26 HA ILE 26 -1.771 -6.401 -22.071 196 HB ILE 26 HB ILE 26 0.576 -5.561 -22.214 197 1HG1 ILE 26 2HG1 ILE 26 -0.485 -3.298 -20.488 198 2HG1 ILE 26 1HG1 ILE 26 0.641 -4.535 -19.933 199 1HG2 ILE 26 1HG2 ILE 26 -1.319 -4.796 -23.704 200 2HG2 ILE 26 2HG2 ILE 26 0.008 -3.644 -23.557 201 3HG2 ILE 26 3HG2 ILE 26 -1.486 -3.387 -22.657 202 1HD1 ILE 26 1HD1 ILE 26 1.474 -3.217 -22.427 203 2HD1 ILE 26 2HD1 ILE 26 2.403 -3.555 -20.966 204 3HD1 ILE 26 3HD1 ILE 26 1.371 -2.126 -21.044 205 H PHE 27 H PHE 27 -0.813 -5.435 -18.778 206 HA PHE 27 HA PHE 27 0.893 -7.712 -18.377 207 1HB PHE 27 2HB PHE 27 -0.346 -5.765 -16.422 208 2HB PHE 27 1HB PHE 27 0.738 -7.069 -15.941 209 HD1 PHE 27 HD1 PHE 27 0.777 -3.724 -16.368 210 HD2 PHE 27 HD2 PHE 27 2.809 -7.176 -17.918 211 HE1 PHE 27 HE1 PHE 27 2.717 -2.309 -16.979 212 HE2 PHE 27 HE2 PHE 27 4.749 -5.758 -18.526 213 HZ PHE 27 HZ PHE 27 4.702 -3.325 -18.058 214 H ILE 28 H ILE 28 -2.530 -7.048 -17.818 215 HA ILE 28 HA ILE 28 -2.852 -9.710 -16.599 216 HB ILE 28 HB ILE 28 -3.820 -7.418 -15.684 217 1HG1 ILE 28 2HG1 ILE 28 -4.057 -9.743 -14.748 218 2HG1 ILE 28 1HG1 ILE 28 -5.413 -8.667 -14.417 219 1HG2 ILE 28 1HG2 ILE 28 -5.904 -6.746 -16.426 220 2HG2 ILE 28 2HG2 ILE 28 -6.264 -8.299 -17.175 221 3HG2 ILE 28 3HG2 ILE 28 -5.129 -7.191 -17.946 222 1HD1 ILE 28 1HD1 ILE 28 -5.277 -10.822 -16.542 223 2HD1 ILE 28 2HD1 ILE 28 -6.598 -9.664 -16.397 224 3HD1 ILE 28 3HD1 ILE 28 -6.293 -10.821 -15.101 225 H GLN 29 H GLN 29 -2.188 -9.535 -19.314 226 HA GLN 29 HA GLN 29 -4.555 -9.866 -20.944 227 1HB GLN 29 2HB GLN 29 -2.417 -8.928 -21.835 228 2HB GLN 29 1HB GLN 29 -1.672 -10.509 -21.607 229 1HG GLN 29 2HG GLN 29 -3.213 -11.531 -23.169 230 2HG GLN 29 1HG GLN 29 -4.146 -10.039 -23.293 231 1HE2 GLN 29 1HE2 GLN 29 -2.709 -8.052 -24.026 232 2HE2 GLN 29 2HE2 GLN 29 -1.588 -8.375 -25.259 233 H ASP 30 H ASP 30 -1.899 -11.986 -19.839 234 HA ASP 30 HA ASP 30 -3.327 -14.362 -20.723 235 1HB ASP 30 2HB ASP 30 -0.660 -13.954 -19.362 236 2HB ASP 30 1HB ASP 30 -1.323 -15.548 -19.726 237 H ALA 31 H ALA 31 -3.643 -12.437 -18.021 238 HA ALA 31 HA ALA 31 -4.095 -14.691 -16.182 239 1HB ALA 31 1HB ALA 31 -4.616 -12.618 -14.616 240 2HB ALA 31 2HB ALA 31 -3.670 -11.752 -15.827 241 3HB ALA 31 3HB ALA 31 -2.955 -13.105 -14.950 242 H GLU 32 H GLU 32 -6.082 -14.902 -15.063 243 HA GLU 32 HA GLU 32 -8.392 -13.543 -16.325 244 1HB GLU 32 2HB GLU 32 -8.183 -16.484 -15.625 245 2HB GLU 32 1HB GLU 32 -9.649 -15.675 -16.181 246 1HG GLU 32 2HG GLU 32 -8.269 -14.935 -18.222 247 2HG GLU 32 1HG GLU 32 -7.081 -16.131 -17.707 248 H ASP 33 H ASP 33 -7.063 -12.846 -13.878 249 HA ASP 33 HA ASP 33 -9.141 -13.551 -11.883 250 1HB ASP 33 2HB ASP 33 -6.216 -12.887 -11.501 251 2HB ASP 33 1HB ASP 33 -7.379 -12.936 -10.176 252 H GLY 34 H GLY 34 -7.119 -10.971 -13.223 253 1HA GLY 34 2HA GLY 34 -8.069 -8.772 -13.590 254 2HA GLY 34 1HA GLY 34 -9.003 -8.981 -12.112 255 H CYS 35 H CYS 35 -5.574 -9.718 -12.624 256 HA CYS 35 HA CYS 35 -4.653 -7.367 -11.211 257 1HB CYS 35 2HB CYS 35 -3.525 -8.748 -9.418 258 2HB CYS 35 1HB CYS 35 -5.277 -8.626 -9.269 259 HG CYS 35 HG CYS 35 -5.250 -11.103 -9.288 260 H ILE 36 H ILE 36 -2.481 -6.987 -11.531 261 HA ILE 36 HA ILE 36 -1.197 -8.638 -13.571 262 HB ILE 36 HB ILE 36 0.380 -6.872 -13.847 263 1HG1 ILE 36 2HG1 ILE 36 -0.159 -4.870 -12.006 264 2HG1 ILE 36 1HG1 ILE 36 -0.273 -6.333 -11.027 265 1HG2 ILE 36 1HG2 ILE 36 -1.975 -6.417 -14.615 266 2HG2 ILE 36 2HG2 ILE 36 -1.030 -4.963 -14.295 267 3HG2 ILE 36 3HG2 ILE 36 -2.229 -5.511 -13.124 268 1HD1 ILE 36 1HD1 ILE 36 1.981 -6.786 -12.594 269 2HD1 ILE 36 2HD1 ILE 36 1.992 -6.262 -10.910 270 3HD1 ILE 36 3HD1 ILE 36 2.091 -5.069 -12.208 271 H SER 37 H SER 37 1.218 -9.034 -13.307 272 HA SER 37 HA SER 37 1.616 -10.537 -10.875 273 1HB SER 37 2HB SER 37 2.541 -10.907 -13.374 274 2HB SER 37 1HB SER 37 3.902 -10.013 -12.708 275 HG SER 37 HG SER 37 4.258 -12.139 -12.246 276 H THR 38 H THR 38 1.832 -9.264 -9.105 277 HA THR 38 HA THR 38 3.022 -6.738 -8.973 278 HB THR 38 HB THR 38 1.565 -7.965 -7.227 279 HG1 THR 38 HG1 THR 38 2.116 -6.383 -5.970 280 1HG2 THR 38 1HG2 THR 38 2.655 -9.199 -5.532 281 2HG2 THR 38 2HG2 THR 38 4.257 -8.720 -6.094 282 3HG2 THR 38 3HG2 THR 38 3.291 -9.853 -7.042 283 H LYS 39 H LYS 39 4.459 -9.950 -8.804 284 HA LYS 39 HA LYS 39 7.031 -9.144 -7.878 285 1HB LYS 39 2HB LYS 39 7.804 -11.327 -8.679 286 2HB LYS 39 1HB LYS 39 6.281 -11.499 -7.809 287 1HG LYS 39 2HG LYS 39 5.354 -11.100 -10.339 288 2HG LYS 39 1HG LYS 39 6.875 -11.925 -10.681 289 1HD LYS 39 2HD LYS 39 4.958 -12.983 -8.604 290 2HD LYS 39 1HD LYS 39 4.776 -13.393 -10.309 291 1HE LYS 39 2HE LYS 39 6.653 -14.707 -10.336 292 2HE LYS 39 1HE LYS 39 7.510 -13.687 -9.181 293 1HZ LYS 39 1HZ LYS 39 6.981 -15.783 -8.170 294 2HZ LYS 39 2HZ LYS 39 5.337 -15.616 -8.562 295 3HZ LYS 39 3HZ LYS 39 6.055 -14.571 -7.430 296 H GLU 40 H GLU 40 5.455 -9.123 -11.001 297 HA GLU 40 HA GLU 40 7.956 -8.521 -12.406 298 1HB GLU 40 2HB GLU 40 5.130 -8.977 -13.393 299 2HB GLU 40 1HB GLU 40 6.476 -8.528 -14.441 300 1HG GLU 40 2HG GLU 40 7.724 -10.540 -13.630 301 2HG GLU 40 1HG GLU 40 6.294 -11.014 -12.713 302 H LEU 41 H LEU 41 6.428 -6.652 -10.447 303 HA LEU 41 HA LEU 41 5.265 -4.495 -11.746 304 1HB LEU 41 2HB LEU 41 6.160 -5.031 -9.157 305 2HB LEU 41 1HB LEU 41 7.049 -3.607 -9.640 306 HG LEU 41 HG LEU 41 5.020 -2.973 -8.458 307 1HD1 LEU 41 1HD1 LEU 41 5.870 -1.741 -10.597 308 2HD1 LEU 41 2HD1 LEU 41 4.277 -1.331 -9.961 309 3HD1 LEU 41 3HD1 LEU 41 4.422 -2.403 -11.354 310 1HD2 LEU 41 1HD2 LEU 41 2.798 -3.484 -9.660 311 2HD2 LEU 41 2HD2 LEU 41 3.557 -4.816 -8.788 312 3HD2 LEU 41 3HD2 LEU 41 3.697 -4.718 -10.543 313 H GLY 42 H GLY 42 8.654 -5.420 -11.638 314 1HA GLY 42 2HA GLY 42 9.888 -2.988 -12.305 315 2HA GLY 42 1HA GLY 42 10.503 -4.583 -12.733 316 H LYS 43 H LYS 43 8.331 -5.448 -14.334 317 HA LYS 43 HA LYS 43 8.992 -4.273 -16.854 318 1HB LYS 43 2HB LYS 43 6.764 -6.173 -16.071 319 2HB LYS 43 1HB LYS 43 7.156 -5.727 -17.731 320 1HG LYS 43 2HG LYS 43 9.464 -6.591 -17.393 321 2HG LYS 43 1HG LYS 43 9.015 -7.097 -15.764 322 1HD LYS 43 2HD LYS 43 7.529 -8.745 -16.549 323 2HD LYS 43 1HD LYS 43 7.413 -8.010 -18.148 324 1HE LYS 43 2HE LYS 43 8.810 -9.939 -18.401 325 2HE LYS 43 1HE LYS 43 9.885 -8.542 -18.441 326 1HZ LYS 43 1HZ LYS 43 10.635 -10.403 -16.987 327 2HZ LYS 43 2HZ LYS 43 9.305 -10.092 -15.976 328 3HZ LYS 43 3HZ LYS 43 10.505 -8.908 -16.196 329 H VAL 44 H VAL 44 6.624 -3.581 -14.432 330 HA VAL 44 HA VAL 44 4.845 -2.104 -16.196 331 HB VAL 44 HB VAL 44 4.835 -2.041 -13.177 332 1HG1 VAL 44 1HG1 VAL 44 3.409 -0.569 -14.885 333 2HG1 VAL 44 2HG1 VAL 44 2.705 -1.185 -13.391 334 3HG1 VAL 44 3HG1 VAL 44 2.408 -2.020 -14.916 335 1HG2 VAL 44 1HG2 VAL 44 4.859 -4.417 -14.053 336 2HG2 VAL 44 2HG2 VAL 44 3.371 -4.043 -14.922 337 3HG2 VAL 44 3HG2 VAL 44 3.401 -3.985 -13.162 338 H MET 45 H MET 45 7.118 -1.439 -13.547 339 HA MET 45 HA MET 45 6.896 1.346 -13.473 340 1HB MET 45 2HB MET 45 8.560 -0.604 -12.275 341 2HB MET 45 1HB MET 45 9.634 0.574 -13.029 342 1HG MET 45 2HG MET 45 9.266 1.627 -11.003 343 2HG MET 45 1HG MET 45 7.932 2.303 -11.935 344 1HE MET 45 1HE MET 45 5.403 2.064 -9.547 345 2HE MET 45 2HE MET 45 6.564 2.979 -10.503 346 3HE MET 45 3HE MET 45 6.967 2.512 -8.852 347 H ARG 46 H ARG 46 9.042 -0.720 -15.447 348 HA ARG 46 HA ARG 46 10.492 1.367 -16.680 349 1HB ARG 46 2HB ARG 46 11.019 -0.265 -18.464 350 2HB ARG 46 1HB ARG 46 11.244 -0.948 -16.857 351 1HG ARG 46 2HG ARG 46 9.984 -2.664 -17.655 352 2HG ARG 46 1HG ARG 46 8.629 -1.586 -17.333 353 1HD ARG 46 2HD ARG 46 8.152 -1.887 -19.535 354 2HD ARG 46 1HD ARG 46 9.420 -0.696 -19.789 355 HE ARG 46 HE ARG 46 10.812 -2.393 -20.580 356 1HH1 ARG 46 2HH1 ARG 46 7.945 -3.743 -19.104 357 2HH1 ARG 46 1HH1 ARG 46 8.254 -5.344 -19.679 358 1HH2 ARG 46 1HH2 ARG 46 11.190 -4.501 -21.323 359 2HH2 ARG 46 2HH2 ARG 46 10.081 -5.774 -20.931 360 H MET 47 H MET 47 7.347 -0.038 -17.404 361 HA MET 47 HA MET 47 7.002 1.301 -19.927 362 1HB MET 47 2HB MET 47 5.718 -0.777 -18.712 363 2HB MET 47 1HB MET 47 4.587 0.539 -18.399 364 1HG MET 47 2HG MET 47 3.954 -0.421 -20.507 365 2HG MET 47 1HG MET 47 4.743 1.114 -20.869 366 1HE MET 47 1HE MET 47 5.527 -2.499 -19.966 367 2HE MET 47 2HE MET 47 6.410 -3.124 -21.357 368 3HE MET 47 3HE MET 47 4.710 -2.693 -21.523 369 H LEU 48 H LEU 48 6.262 1.983 -16.555 370 HA LEU 48 HA LEU 48 4.600 4.275 -17.062 371 1HB LEU 48 2HB LEU 48 5.840 3.001 -14.676 372 2HB LEU 48 1HB LEU 48 5.362 4.677 -14.544 373 HG LEU 48 HG LEU 48 3.077 4.166 -14.783 374 1HD1 LEU 48 1HD1 LEU 48 2.550 1.598 -15.315 375 2HD1 LEU 48 2HD1 LEU 48 4.103 1.711 -16.144 376 3HD1 LEU 48 3HD1 LEU 48 2.779 2.779 -16.606 377 1HD2 LEU 48 1HD2 LEU 48 3.405 3.437 -12.632 378 2HD2 LEU 48 2HD2 LEU 48 4.660 2.291 -13.101 379 3HD2 LEU 48 3HD2 LEU 48 2.960 1.881 -13.334 380 H GLY 49 H GLY 49 8.035 3.709 -16.563 381 1HA GLY 49 2HA GLY 49 9.463 5.428 -17.709 382 2HA GLY 49 1HA GLY 49 8.531 6.622 -16.818 383 H GLN 50 H GLN 50 9.286 3.710 -15.089 384 HA GLN 50 HA GLN 50 11.625 4.976 -13.804 385 1HB GLN 50 2HB GLN 50 9.342 3.655 -12.315 386 2HB GLN 50 1HB GLN 50 10.786 4.367 -11.597 387 1HG GLN 50 2HG GLN 50 9.837 6.407 -11.618 388 2HG GLN 50 1HG GLN 50 9.551 6.285 -13.353 389 1HE2 GLN 50 1HE2 GLN 50 7.402 5.943 -14.040 390 2HE2 GLN 50 2HE2 GLN 50 6.111 5.639 -12.984 391 H ASN 51 H ASN 51 12.718 3.343 -12.279 392 HA ASN 51 HA ASN 51 12.366 0.542 -12.908 393 1HB ASN 51 2HB ASN 51 13.865 1.802 -14.755 394 2HB ASN 51 1HB ASN 51 15.118 1.464 -13.561 395 1HD2 ASN 51 1HD2 ASN 51 15.839 -0.712 -13.358 396 2HD2 ASN 51 2HD2 ASN 51 15.189 -1.998 -14.256 397 HA PRO 52 HA PRO 52 14.217 1.282 -8.785 398 1HB PRO 52 2HB PRO 52 12.411 -0.253 -7.422 399 2HB PRO 52 1HB PRO 52 12.136 1.442 -7.845 400 1HG PRO 52 2HG PRO 52 10.939 -0.996 -8.990 401 2HG PRO 52 1HG PRO 52 10.310 0.657 -8.958 402 1HD PRO 52 2HD PRO 52 11.561 -0.657 -11.165 403 2HD PRO 52 1HD PRO 52 11.086 1.054 -11.067 404 H THR 53 H THR 53 14.138 -0.769 -6.929 405 HA THR 53 HA THR 53 15.739 -2.893 -8.225 406 HB THR 53 HB THR 53 16.996 -3.059 -6.263 407 HG1 THR 53 HG1 THR 53 16.121 -2.095 -4.267 408 1HG2 THR 53 1HG2 THR 53 16.068 -0.190 -6.095 409 2HG2 THR 53 2HG2 THR 53 17.202 -0.781 -7.310 410 3HG2 THR 53 3HG2 THR 53 17.630 -0.840 -5.600 411 HA PRO 54 HA PRO 54 12.858 -5.989 -6.956 412 1HB PRO 54 2HB PRO 54 14.333 -7.904 -5.661 413 2HB PRO 54 1HB PRO 54 14.349 -7.652 -7.414 414 1HG PRO 54 2HG PRO 54 16.380 -6.903 -5.380 415 2HG PRO 54 1HG PRO 54 16.592 -7.328 -7.086 416 1HD PRO 54 2HD PRO 54 16.636 -4.730 -6.039 417 2HD PRO 54 1HD PRO 54 16.423 -5.140 -7.757 418 H GLU 55 H GLU 55 14.913 -4.839 -4.328 419 HA GLU 55 HA GLU 55 13.078 -5.745 -2.257 420 1HB GLU 55 2HB GLU 55 14.564 -4.527 -0.695 421 2HB GLU 55 1HB GLU 55 15.455 -5.663 -1.704 422 1HG GLU 55 2HG GLU 55 16.302 -3.916 -3.094 423 2HG GLU 55 1HG GLU 55 15.170 -2.740 -2.429 424 H GLU 56 H GLU 56 13.722 -2.853 -4.122 425 HA GLU 56 HA GLU 56 12.157 -1.074 -2.487 426 1HB GLU 56 2HB GLU 56 14.055 -0.604 -4.312 427 2HB GLU 56 1HB GLU 56 12.643 -0.465 -5.361 428 1HG GLU 56 2HG GLU 56 11.805 1.376 -4.225 429 2HG GLU 56 1HG GLU 56 12.602 0.940 -2.715 430 H LEU 57 H LEU 57 11.595 -2.992 -5.426 431 HA LEU 57 HA LEU 57 8.975 -1.916 -5.884 432 1HB LEU 57 2HB LEU 57 8.778 -3.485 -7.629 433 2HB LEU 57 1HB LEU 57 10.433 -2.930 -7.650 434 HG LEU 57 HG LEU 57 10.869 -5.114 -6.237 435 1HD1 LEU 57 1HD1 LEU 57 9.178 -6.833 -7.453 436 2HD1 LEU 57 2HD1 LEU 57 8.105 -5.442 -7.301 437 3HD1 LEU 57 3HD1 LEU 57 8.846 -6.145 -5.862 438 1HD2 LEU 57 1HD2 LEU 57 10.213 -5.240 -9.198 439 2HD2 LEU 57 2HD2 LEU 57 11.331 -6.291 -8.328 440 3HD2 LEU 57 3HD2 LEU 57 11.709 -4.581 -8.535 441 H GLN 58 H GLN 58 10.279 -4.638 -4.063 442 HA GLN 58 HA GLN 58 7.730 -5.927 -3.706 443 1HB GLN 58 2HB GLN 58 9.983 -7.085 -3.582 444 2HB GLN 58 1HB GLN 58 10.186 -6.331 -2.000 445 1HG GLN 58 2HG GLN 58 9.254 -8.533 -1.645 446 2HG GLN 58 1HG GLN 58 7.985 -7.355 -1.316 447 1HE2 GLN 58 1HE2 GLN 58 6.077 -7.470 -2.597 448 2HE2 GLN 58 2HE2 GLN 58 5.882 -8.546 -3.895 449 H GLU 59 H GLU 59 9.770 -3.786 -1.700 450 HA GLU 59 HA GLU 59 8.179 -3.898 0.626 451 1HB GLU 59 2HB GLU 59 9.291 -1.817 1.303 452 2HB GLU 59 1HB GLU 59 10.446 -2.977 0.652 453 1HG GLU 59 2HG GLU 59 11.148 -1.253 -0.644 454 2HG GLU 59 1HG GLU 59 9.715 -1.604 -1.606 455 H MET 60 H MET 60 7.842 -1.959 -2.318 456 HA MET 60 HA MET 60 5.791 -0.268 -1.186 457 1HB MET 60 2HB MET 60 5.484 0.591 -3.455 458 2HB MET 60 1HB MET 60 7.196 0.552 -3.043 459 1HG MET 60 2HG MET 60 7.559 -1.417 -4.357 460 2HG MET 60 1HG MET 60 5.827 -1.680 -4.561 461 1HE MET 60 1HE MET 60 8.367 1.717 -6.227 462 2HE MET 60 2HE MET 60 8.997 0.072 -6.278 463 3HE MET 60 3HE MET 60 8.558 0.792 -4.731 464 H ILE 61 H ILE 61 5.951 -3.302 -2.907 465 HA ILE 61 HA ILE 61 3.209 -3.487 -3.673 466 HB ILE 61 HB ILE 61 5.375 -5.551 -3.230 467 1HG1 ILE 61 2HG1 ILE 61 3.899 -4.899 -5.777 468 2HG1 ILE 61 1HG1 ILE 61 5.249 -3.901 -5.235 469 1HG2 ILE 61 1HG2 ILE 61 2.471 -5.950 -3.996 470 2HG2 ILE 61 2HG2 ILE 61 3.356 -6.722 -2.680 471 3HG2 ILE 61 3HG2 ILE 61 3.726 -7.138 -4.352 472 1HD1 ILE 61 1HD1 ILE 61 6.179 -5.565 -6.690 473 2HD1 ILE 61 2HD1 ILE 61 5.287 -6.856 -5.886 474 3HD1 ILE 61 3HD1 ILE 61 6.607 -6.042 -5.049 475 H ASP 62 H ASP 62 5.053 -4.875 -0.958 476 HA ASP 62 HA ASP 62 2.944 -6.102 0.403 477 1HB ASP 62 2HB ASP 62 5.565 -4.941 1.314 478 2HB ASP 62 1HB ASP 62 4.417 -5.592 2.485 479 H GLU 63 H GLU 63 3.991 -2.727 0.403 480 HA GLU 63 HA GLU 63 2.381 -1.883 2.604 481 1HB GLU 63 2HB GLU 63 3.891 -0.510 0.422 482 2HB GLU 63 1HB GLU 63 2.688 0.415 1.320 483 1HG GLU 63 2HG GLU 63 4.712 -1.257 2.792 484 2HG GLU 63 1HG GLU 63 5.145 0.349 2.208 485 H VAL 64 H VAL 64 1.940 -1.482 -0.935 486 HA VAL 64 HA VAL 64 -0.688 -0.387 -0.683 487 HB VAL 64 HB VAL 64 0.735 0.052 -2.653 488 1HG1 VAL 64 1HG1 VAL 64 0.122 -2.791 -3.495 489 2HG1 VAL 64 2HG1 VAL 64 1.650 -2.317 -2.755 490 3HG1 VAL 64 3HG1 VAL 64 1.171 -1.631 -4.306 491 1HG2 VAL 64 1HG2 VAL 64 -1.047 0.166 -4.136 492 2HG2 VAL 64 2HG2 VAL 64 -1.911 -0.095 -2.622 493 3HG2 VAL 64 3HG2 VAL 64 -1.632 -1.445 -3.720 494 H ASP 65 H ASP 65 0.531 -3.660 -1.318 495 HA ASP 65 HA ASP 65 -2.045 -4.799 -1.834 496 1HB ASP 65 2HB ASP 65 0.504 -5.682 -2.229 497 2HB ASP 65 1HB ASP 65 0.061 -6.593 -0.788 498 H GLU 66 H GLU 66 -3.575 -4.767 -0.333 499 HA GLU 66 HA GLU 66 -3.029 -4.800 2.492 500 1HB GLU 66 2HB GLU 66 -5.688 -5.295 1.130 501 2HB GLU 66 1HB GLU 66 -5.419 -4.760 2.789 502 1HG GLU 66 2HG GLU 66 -4.179 -2.749 1.732 503 2HG GLU 66 1HG GLU 66 -4.969 -3.228 0.230 504 H ASP 67 H ASP 67 -4.226 -7.129 0.116 505 HA ASP 67 HA ASP 67 -4.484 -9.251 2.079 506 1HB ASP 67 2HB ASP 67 -4.904 -10.677 -0.006 507 2HB ASP 67 1HB ASP 67 -6.078 -9.409 0.338 508 H GLY 68 H GLY 68 -2.218 -8.338 -0.482 509 1HA GLY 68 2HA GLY 68 0.005 -8.915 -0.769 510 2HA GLY 68 1HA GLY 68 -0.075 -9.805 0.749 511 H SER 69 H SER 69 -1.882 -10.112 -2.301 512 HA SER 69 HA SER 69 -1.523 -13.006 -2.248 513 1HB SER 69 2HB SER 69 -3.102 -13.011 -4.136 514 2HB SER 69 1HB SER 69 -3.735 -12.092 -2.773 515 HG SER 69 HG SER 69 -2.807 -11.226 -5.265 516 H GLY 70 H GLY 70 0.522 -10.682 -3.263 517 1HA GLY 70 2HA GLY 70 2.347 -10.752 -4.672 518 2HA GLY 70 1HA GLY 70 1.906 -12.405 -5.084 519 H THR 71 H THR 71 -0.347 -9.749 -5.419 520 HA THR 71 HA THR 71 0.125 -9.442 -8.281 521 HB THR 71 HB THR 71 -2.098 -10.071 -8.967 522 HG1 THR 71 HG1 THR 71 -3.614 -10.759 -7.470 523 1HG2 THR 71 1HG2 THR 71 -0.482 -11.921 -8.786 524 2HG2 THR 71 2HG2 THR 71 -2.113 -12.479 -8.413 525 3HG2 THR 71 3HG2 THR 71 -0.962 -12.181 -7.108 526 H VAL 72 H VAL 72 -0.715 -7.517 -9.105 527 HA VAL 72 HA VAL 72 -1.801 -5.681 -7.057 528 HB VAL 72 HB VAL 72 -0.613 -4.855 -9.701 529 1HG1 VAL 72 1HG1 VAL 72 -0.964 -3.387 -7.074 530 2HG1 VAL 72 2HG1 VAL 72 -2.061 -3.252 -8.448 531 3HG1 VAL 72 3HG1 VAL 72 -0.393 -2.695 -8.592 532 1HG2 VAL 72 1HG2 VAL 72 1.430 -4.289 -8.283 533 2HG2 VAL 72 2HG2 VAL 72 1.179 -6.006 -8.600 534 3HG2 VAL 72 3HG2 VAL 72 0.738 -5.325 -7.035 535 H ASP 73 H ASP 73 -3.891 -5.354 -7.161 536 HA ASP 73 HA ASP 73 -5.426 -5.884 -9.572 537 1HB ASP 73 2HB ASP 73 -6.026 -5.932 -6.861 538 2HB ASP 73 1HB ASP 73 -6.818 -4.461 -7.422 539 H PHE 74 H PHE 74 -7.082 -4.082 -10.224 540 HA PHE 74 HA PHE 74 -5.617 -1.865 -11.145 541 1HB PHE 74 2HB PHE 74 -7.811 -2.743 -12.096 542 2HB PHE 74 1HB PHE 74 -8.617 -1.835 -10.815 543 HD1 PHE 74 HD1 PHE 74 -5.581 -1.084 -12.866 544 HD2 PHE 74 HD2 PHE 74 -9.580 0.064 -11.806 545 HE1 PHE 74 HE1 PHE 74 -5.348 0.985 -14.214 546 HE2 PHE 74 HE2 PHE 74 -9.345 2.135 -13.156 547 HZ PHE 74 HZ PHE 74 -7.230 2.591 -14.358 548 H ASP 75 H ASP 75 -7.617 -2.281 -8.253 549 HA ASP 75 HA ASP 75 -7.653 0.462 -7.473 550 1HB ASP 75 2HB ASP 75 -9.087 -1.504 -6.560 551 2HB ASP 75 1HB ASP 75 -7.709 -1.824 -5.507 552 H GLU 76 H GLU 76 -5.534 -2.283 -6.697 553 HA GLU 76 HA GLU 76 -3.796 -0.833 -4.938 554 1HB GLU 76 2HB GLU 76 -3.202 -3.353 -6.513 555 2HB GLU 76 1HB GLU 76 -2.317 -2.762 -5.109 556 1HG GLU 76 2HG GLU 76 -4.204 -3.132 -3.663 557 2HG GLU 76 1HG GLU 76 -5.268 -3.443 -5.034 558 H PHE 77 H PHE 77 -3.981 -1.314 -8.391 559 HA PHE 77 HA PHE 77 -1.343 -0.619 -9.126 560 1HB PHE 77 2HB PHE 77 -3.469 -1.582 -10.468 561 2HB PHE 77 1HB PHE 77 -3.603 0.109 -10.919 562 HD1 PHE 77 HD1 PHE 77 -3.240 -0.719 -13.245 563 HD2 PHE 77 HD2 PHE 77 -0.201 -1.043 -10.215 564 HE1 PHE 77 HE1 PHE 77 -1.522 -1.065 -14.989 565 HE2 PHE 77 HE2 PHE 77 1.507 -1.376 -11.973 566 HZ PHE 77 HZ PHE 77 0.844 -1.392 -14.361 567 H LEU 78 H LEU 78 -4.340 1.330 -9.181 568 HA LEU 78 HA LEU 78 -3.079 3.784 -9.832 569 1HB LEU 78 2HB LEU 78 -5.654 3.491 -8.301 570 2HB LEU 78 1HB LEU 78 -5.158 4.830 -9.321 571 HG LEU 78 HG LEU 78 -6.128 2.096 -10.135 572 1HD1 LEU 78 1HD1 LEU 78 -7.610 3.522 -11.574 573 2HD1 LEU 78 2HD1 LEU 78 -6.903 4.945 -10.806 574 3HD1 LEU 78 3HD1 LEU 78 -7.828 3.789 -9.844 575 1HD2 LEU 78 1HD2 LEU 78 -5.581 3.091 -12.520 576 2HD2 LEU 78 2HD2 LEU 78 -4.328 2.246 -11.611 577 3HD2 LEU 78 3HD2 LEU 78 -4.363 4.010 -11.635 578 H VAL 79 H VAL 79 -3.851 2.225 -6.755 579 HA VAL 79 HA VAL 79 -3.309 4.424 -5.048 580 HB VAL 79 HB VAL 79 -3.477 1.454 -4.703 581 1HG1 VAL 79 1HG1 VAL 79 -2.336 3.358 -2.634 582 2HG1 VAL 79 2HG1 VAL 79 -1.494 2.004 -3.394 583 3HG1 VAL 79 3HG1 VAL 79 -2.852 1.702 -2.307 584 1HG2 VAL 79 1HG2 VAL 79 -5.421 3.115 -4.602 585 2HG2 VAL 79 2HG2 VAL 79 -4.708 3.707 -3.100 586 3HG2 VAL 79 3HG2 VAL 79 -5.258 2.034 -3.217 587 H MET 80 H MET 80 -1.268 1.708 -6.113 588 HA MET 80 HA MET 80 1.095 2.197 -4.822 589 1HB MET 80 2HB MET 80 0.323 0.605 -6.955 590 2HB MET 80 1HB MET 80 1.569 1.640 -7.650 591 1HG MET 80 2HG MET 80 2.957 1.075 -5.553 592 2HG MET 80 1HG MET 80 1.789 -0.217 -5.282 593 1HE MET 80 1HE MET 80 3.113 -3.011 -7.085 594 2HE MET 80 2HE MET 80 1.486 -2.355 -6.927 595 3HE MET 80 3HE MET 80 2.602 -2.258 -5.568 596 H MET 81 H MET 81 -0.245 4.030 -7.535 597 HA MET 81 HA MET 81 2.104 5.468 -8.225 598 1HB MET 81 2HB MET 81 -0.133 5.292 -9.512 599 2HB MET 81 1HB MET 81 -0.669 6.610 -8.472 600 1HG MET 81 2HG MET 81 1.914 7.320 -9.389 601 2HG MET 81 1HG MET 81 1.033 6.730 -10.797 602 1HE MET 81 1HE MET 81 -2.323 8.727 -10.436 603 2HE MET 81 2HE MET 81 -1.791 7.099 -10.021 604 3HE MET 81 3HE MET 81 -1.387 7.778 -11.597 605 H VAL 82 H VAL 82 -0.720 6.473 -6.267 606 HA VAL 82 HA VAL 82 0.448 8.903 -5.366 607 HB VAL 82 HB VAL 82 -1.331 8.844 -3.600 608 1HG1 VAL 82 1HG1 VAL 82 -1.985 9.929 -5.574 609 2HG1 VAL 82 2HG1 VAL 82 -3.242 8.708 -5.370 610 3HG1 VAL 82 3HG1 VAL 82 -1.932 8.443 -6.521 611 1HG2 VAL 82 1HG2 VAL 82 -2.212 6.298 -4.982 612 2HG2 VAL 82 2HG2 VAL 82 -2.930 7.050 -3.557 613 3HG2 VAL 82 3HG2 VAL 82 -1.331 6.309 -3.454 614 H ARG 83 H ARG 83 0.666 5.602 -4.242 615 HA ARG 83 HA ARG 83 1.594 6.065 -1.606 616 1HB ARG 83 2HB ARG 83 2.033 3.777 -3.533 617 2HB ARG 83 1HB ARG 83 2.657 3.770 -1.885 618 1HG ARG 83 2HG ARG 83 -0.124 4.554 -1.870 619 2HG ARG 83 1HG ARG 83 0.064 3.030 -2.738 620 1HD ARG 83 2HD ARG 83 1.294 2.073 -0.849 621 2HD ARG 83 1HD ARG 83 1.197 3.605 0.014 622 HE ARG 83 HE ARG 83 -1.420 2.758 -0.636 623 1HH1 ARG 83 2HH1 ARG 83 1.279 1.880 1.396 624 2HH1 ARG 83 1HH1 ARG 83 0.288 1.166 2.620 625 1HH2 ARG 83 1HH2 ARG 83 -2.703 1.821 0.982 626 2HH2 ARG 83 2HH2 ARG 83 -1.962 1.132 2.388 627 H CYS 84 H CYS 84 3.217 5.904 -4.738 628 HA CYS 84 HA CYS 84 5.859 6.240 -3.528 629 1HB CYS 84 2HB CYS 84 4.881 5.821 -6.344 630 2HB CYS 84 1HB CYS 84 6.537 6.334 -6.023 631 HG CYS 84 HG CYS 84 6.962 4.129 -4.740 632 H MET 85 H MET 85 3.597 8.062 -5.583 633 HA MET 85 HA MET 85 5.245 10.333 -5.987 634 1HB MET 85 2HB MET 85 2.969 9.601 -7.117 635 2HB MET 85 1HB MET 85 2.266 10.602 -5.846 636 1HG MET 85 2HG MET 85 2.610 12.268 -7.378 637 2HG MET 85 1HG MET 85 4.231 12.258 -6.684 638 1HE MET 85 1HE MET 85 6.284 10.275 -8.145 639 2HE MET 85 2HE MET 85 6.057 11.900 -7.506 640 3HE MET 85 3HE MET 85 6.511 11.681 -9.194 641 H LYS 86 H LYS 86 2.951 9.453 -3.452 642 HA LYS 86 HA LYS 86 2.650 10.258 -1.328 643 1HB LYS 86 2HB LYS 86 5.275 10.689 -1.658 644 2HB LYS 86 1HB LYS 86 4.739 12.366 -1.571 645 1HG LYS 86 2HG LYS 86 5.131 11.831 0.682 646 2HG LYS 86 1HG LYS 86 3.392 11.579 0.520 647 1HD LYS 86 2HD LYS 86 3.794 9.160 0.129 648 2HD LYS 86 1HD LYS 86 5.523 9.427 0.352 649 1HE LYS 86 2HE LYS 86 4.986 8.839 2.512 650 2HE LYS 86 1HE LYS 86 4.654 10.567 2.618 651 1HZ LYS 86 1HZ LYS 86 2.647 8.466 1.996 652 2HZ LYS 86 2HZ LYS 86 2.337 10.131 2.130 653 3HZ LYS 86 3HZ LYS 86 2.826 9.242 3.492 654 H ASP 87 H ASP 87 0.717 11.196 -1.392 655 HA ASP 87 HA ASP 87 -0.049 13.423 -2.909 656 1HB ASP 87 2HB ASP 87 -1.966 13.608 -1.256 657 2HB ASP 87 1HB ASP 87 -1.779 12.037 -2.032 658 H ASP 88 H ASP 88 1.203 13.255 0.414 659 HA ASP 88 HA ASP 88 1.949 14.872 1.865 660 1HB ASP 88 2HB ASP 88 2.578 16.083 -0.819 661 2HB ASP 88 1HB ASP 88 2.913 16.968 0.668 662 H SER 89 HN SER 89 -0.885 14.837 1.271 663 HA SER 89 HA SER 89 -1.582 17.437 2.332 664 1HB SER 89 2HB SER 89 -2.118 16.736 -0.508 665 2HB SER 89 1HB SER 89 -3.433 17.497 0.383 666 HG SER 89 HG SER 89 -2.254 19.278 0.629 Start of MODEL 37 1 1H MET 1 1H MET 1 -1.802 3.303 8.811 2 2H MET 1 2H MET 1 -2.043 2.594 7.284 3 3H MET 1 3H MET 1 -2.375 1.710 8.696 4 HA MET 1 HA MET 1 -4.402 2.531 7.600 5 1HB MET 1 2HB MET 1 -4.002 2.246 10.182 6 2HB MET 1 1HB MET 1 -4.076 4.007 10.205 7 1HG MET 1 2HG MET 1 -6.316 3.376 10.559 8 2HG MET 1 1HG MET 1 -6.265 3.710 8.829 9 1HE MET 1 1HE MET 1 -8.513 0.860 8.188 10 2HE MET 1 2HE MET 1 -7.695 2.219 7.423 11 3HE MET 1 3HE MET 1 -8.540 2.456 8.951 12 H ASN 2 H ASN 2 -3.327 3.936 5.877 13 HA ASN 2 HA ASN 2 -3.604 6.810 6.530 14 1HB ASN 2 2HB ASN 2 -1.926 5.348 4.508 15 2HB ASN 2 1HB ASN 2 -2.331 7.050 4.288 16 1HD2 ASN 2 1HD2 ASN 2 -1.246 8.599 5.607 17 2HD2 ASN 2 2HD2 ASN 2 -0.075 8.174 6.760 18 H ASP 3 H ASP 3 -5.599 7.452 6.057 19 HA ASP 3 HA ASP 3 -7.128 6.287 3.885 20 1HB ASP 3 2HB ASP 3 -8.924 7.788 4.609 21 2HB ASP 3 1HB ASP 3 -8.240 6.933 5.989 22 H ILE 4 H ILE 4 -4.970 8.948 4.235 23 HA ILE 4 HA ILE 4 -6.013 10.801 2.410 24 HB ILE 4 HB ILE 4 -3.670 11.592 2.129 25 1HG1 ILE 4 2HG1 ILE 4 -2.169 10.249 3.961 26 2HG1 ILE 4 1HG1 ILE 4 -3.138 8.922 3.324 27 1HG2 ILE 4 1HG2 ILE 4 -4.922 12.429 4.009 28 2HG2 ILE 4 2HG2 ILE 4 -3.299 12.050 4.586 29 3HG2 ILE 4 3HG2 ILE 4 -4.635 10.950 4.929 30 1HD1 ILE 4 1HD1 ILE 4 -0.871 9.613 2.142 31 2HD1 ILE 4 2HD1 ILE 4 -1.890 10.841 1.392 32 3HD1 ILE 4 3HD1 ILE 4 -2.270 9.132 1.182 33 H TYR 5 H TYR 5 -4.254 7.813 1.852 34 HA TYR 5 HA TYR 5 -3.646 8.274 -0.905 35 1HB TYR 5 2HB TYR 5 -3.925 5.679 0.638 36 2HB TYR 5 1HB TYR 5 -3.296 5.808 -1.005 37 HD1 TYR 5 HD1 TYR 5 -1.219 7.188 -1.430 38 HD2 TYR 5 HD2 TYR 5 -2.567 6.192 2.522 39 HE1 TYR 5 HE1 TYR 5 1.018 7.754 -0.524 40 HE2 TYR 5 HE2 TYR 5 -0.331 6.755 3.430 41 HH TYR 5 HH TYR 5 2.298 6.833 1.926 42 H LYS 6 H LYS 6 -6.338 6.775 0.822 43 HA LYS 6 HA LYS 6 -7.710 5.825 -1.505 44 1HB LYS 6 2HB LYS 6 -8.065 5.663 1.310 45 2HB LYS 6 1HB LYS 6 -9.543 6.346 0.635 46 1HG LYS 6 2HG LYS 6 -10.109 4.406 -0.392 47 2HG LYS 6 1HG LYS 6 -8.461 4.114 -0.945 48 1HD LYS 6 2HD LYS 6 -9.035 3.819 1.977 49 2HD LYS 6 1HD LYS 6 -9.591 2.548 0.888 50 1HE LYS 6 2HE LYS 6 -6.791 3.518 0.536 51 2HE LYS 6 1HE LYS 6 -7.129 2.520 1.948 52 1HZ LYS 6 1HZ LYS 6 -6.469 1.209 0.004 53 2HZ LYS 6 2HZ LYS 6 -7.816 1.794 -0.850 54 3HZ LYS 6 3HZ LYS 6 -8.035 0.821 0.526 55 H ALA 7 H ALA 7 -7.575 8.892 0.168 56 HA ALA 7 HA ALA 7 -9.998 9.993 -0.861 57 1HB ALA 7 1HB ALA 7 -8.574 10.836 1.118 58 2HB ALA 7 2HB ALA 7 -9.288 12.044 0.050 59 3HB ALA 7 3HB ALA 7 -7.582 11.626 -0.107 60 H ALA 8 H ALA 8 -6.664 9.855 -2.046 61 HA ALA 8 HA ALA 8 -7.062 11.726 -4.191 62 1HB ALA 8 1HB ALA 8 -4.871 11.154 -4.903 63 2HB ALA 8 2HB ALA 8 -4.932 9.590 -4.088 64 3HB ALA 8 3HB ALA 8 -4.824 11.076 -3.142 65 H VAL 9 H VAL 9 -7.013 8.175 -3.955 66 HA VAL 9 HA VAL 9 -7.430 7.708 -6.733 67 HB VAL 9 HB VAL 9 -6.548 6.027 -5.067 68 1HG1 VAL 9 1HG1 VAL 9 -8.230 4.704 -3.824 69 2HG1 VAL 9 2HG1 VAL 9 -9.490 5.816 -4.358 70 3HG1 VAL 9 3HG1 VAL 9 -8.204 6.384 -3.294 71 1HG2 VAL 9 1HG2 VAL 9 -7.385 5.453 -7.371 72 2HG2 VAL 9 2HG2 VAL 9 -8.959 5.102 -6.660 73 3HG2 VAL 9 3HG2 VAL 9 -7.554 4.136 -6.211 74 H GLU 10 H GLU 10 -9.545 8.636 -4.153 75 HA GLU 10 HA GLU 10 -11.976 7.747 -5.454 76 1HB GLU 10 2HB GLU 10 -11.301 9.182 -2.926 77 2HB GLU 10 1HB GLU 10 -12.918 9.401 -3.596 78 1HG GLU 10 2HG GLU 10 -12.892 6.789 -3.825 79 2HG GLU 10 1HG GLU 10 -11.608 6.878 -2.620 80 H GLN 11 H GLN 11 -9.912 10.525 -5.647 81 HA GLN 11 HA GLN 11 -12.013 11.928 -7.189 82 1HB GLN 11 2HB GLN 11 -11.192 14.072 -6.376 83 2HB GLN 11 1HB GLN 11 -11.652 13.052 -5.013 84 1HG GLN 11 2HG GLN 11 -9.177 12.340 -4.931 85 2HG GLN 11 1HG GLN 11 -8.870 13.707 -6.002 86 1HE2 GLN 11 1HE2 GLN 11 -10.698 13.076 -2.934 87 2HE2 GLN 11 2HE2 GLN 11 -10.226 14.532 -2.199 88 H LEU 12 H LEU 12 -9.759 10.138 -8.052 89 HA LEU 12 HA LEU 12 -7.851 11.901 -9.344 90 1HB LEU 12 2HB LEU 12 -7.305 9.688 -10.612 91 2HB LEU 12 1HB LEU 12 -6.826 9.891 -8.944 92 HG LEU 12 HG LEU 12 -8.642 8.476 -8.200 93 1HD1 LEU 12 1HD1 LEU 12 -9.496 8.662 -11.085 94 2HD1 LEU 12 2HD1 LEU 12 -10.452 8.956 -9.632 95 3HD1 LEU 12 3HD1 LEU 12 -10.003 7.309 -10.074 96 1HD2 LEU 12 1HD2 LEU 12 -7.942 6.374 -9.222 97 2HD2 LEU 12 2HD2 LEU 12 -6.537 7.422 -9.031 98 3HD2 LEU 12 3HD2 LEU 12 -7.289 7.237 -10.614 99 H THR 13 H THR 13 -7.495 11.382 -11.833 100 HA THR 13 HA THR 13 -10.034 12.092 -13.130 101 HB THR 13 HB THR 13 -8.166 12.262 -15.111 102 HG1 THR 13 HG1 THR 13 -6.402 11.841 -13.896 103 1HG2 THR 13 1HG2 THR 13 -9.422 14.156 -14.895 104 2HG2 THR 13 2HG2 THR 13 -7.976 14.738 -14.072 105 3HG2 THR 13 3HG2 THR 13 -9.343 14.137 -13.134 106 H ASP 14 H ASP 14 -10.366 11.229 -15.373 107 HA ASP 14 HA ASP 14 -10.418 8.357 -15.302 108 1HB ASP 14 2HB ASP 14 -12.057 10.028 -16.494 109 2HB ASP 14 1HB ASP 14 -10.893 9.932 -17.815 110 H GLU 15 H GLU 15 -8.403 10.823 -16.757 111 HA GLU 15 HA GLU 15 -7.017 9.227 -18.637 112 1HB GLU 15 2HB GLU 15 -5.384 11.005 -18.699 113 2HB GLU 15 1HB GLU 15 -6.983 11.734 -18.547 114 1HG GLU 15 2HG GLU 15 -6.458 11.581 -15.957 115 2HG GLU 15 1HG GLU 15 -4.786 11.549 -16.516 116 H GLN 16 H GLN 16 -6.571 9.790 -15.183 117 HA GLN 16 HA GLN 16 -4.015 8.607 -14.884 118 1HB GLN 16 2HB GLN 16 -5.599 9.972 -13.202 119 2HB GLN 16 1HB GLN 16 -6.020 8.339 -12.692 120 1HG GLN 16 2HG GLN 16 -3.176 8.471 -13.017 121 2HG GLN 16 1HG GLN 16 -3.687 9.840 -12.031 122 1HE2 GLN 16 1HE2 GLN 16 -4.756 6.384 -12.273 123 2HE2 GLN 16 2HE2 GLN 16 -4.680 6.106 -10.601 124 H LYS 17 H LYS 17 -7.311 7.332 -14.762 125 HA LYS 17 HA LYS 17 -6.663 4.682 -13.982 126 1HB LYS 17 2HB LYS 17 -9.027 5.554 -15.665 127 2HB LYS 17 1HB LYS 17 -8.899 4.089 -14.694 128 1HG LYS 17 2HG LYS 17 -8.738 6.881 -13.525 129 2HG LYS 17 1HG LYS 17 -10.232 5.952 -13.618 130 1HD LYS 17 2HD LYS 17 -8.215 4.260 -12.507 131 2HD LYS 17 1HD LYS 17 -8.180 5.794 -11.638 132 1HE LYS 17 2HE LYS 17 -10.791 5.529 -11.609 133 2HE LYS 17 1HE LYS 17 -10.439 3.828 -11.913 134 1HZ LYS 17 1HZ LYS 17 -10.299 3.761 -9.684 135 2HZ LYS 17 2HZ LYS 17 -9.982 5.421 -9.529 136 3HZ LYS 17 3HZ LYS 17 -8.730 4.349 -9.935 137 H ASN 18 H ASN 18 -6.915 6.307 -17.117 138 HA ASN 18 HA ASN 18 -6.696 3.963 -18.723 139 1HB ASN 18 2HB ASN 18 -6.269 6.895 -19.261 140 2HB ASN 18 1HB ASN 18 -5.912 5.683 -20.490 141 1HD2 ASN 18 1HD2 ASN 18 -8.376 7.677 -19.386 142 2HD2 ASN 18 2HD2 ASN 18 -9.706 6.807 -19.983 143 H GLU 19 H GLU 19 -4.301 6.134 -17.282 144 HA GLU 19 HA GLU 19 -2.027 5.337 -18.748 145 1HB GLU 19 2HB GLU 19 -1.929 5.956 -15.795 146 2HB GLU 19 1HB GLU 19 -0.691 6.248 -17.014 147 1HG GLU 19 2HG GLU 19 -2.731 7.691 -18.062 148 2HG GLU 19 1HG GLU 19 -3.102 7.830 -16.343 149 H PHE 20 H PHE 20 -3.417 4.043 -15.754 150 HA PHE 20 HA PHE 20 -1.478 1.894 -15.604 151 1HB PHE 20 2HB PHE 20 -3.832 2.750 -13.955 152 2HB PHE 20 1HB PHE 20 -3.111 1.160 -13.719 153 HD1 PHE 20 HD1 PHE 20 -2.512 4.808 -13.555 154 HD2 PHE 20 HD2 PHE 20 -0.895 0.905 -12.792 155 HE1 PHE 20 HE1 PHE 20 -0.694 5.816 -12.210 156 HE2 PHE 20 HE2 PHE 20 0.918 1.907 -11.444 157 HZ PHE 20 HZ PHE 20 1.023 4.370 -11.153 158 H LYS 21 H LYS 21 -4.972 2.175 -16.304 159 HA LYS 21 HA LYS 21 -5.590 -0.531 -16.522 160 1HB LYS 21 2HB LYS 21 -7.265 1.293 -16.597 161 2HB LYS 21 1HB LYS 21 -6.726 1.697 -18.226 162 1HG LYS 21 2HG LYS 21 -7.355 -1.158 -17.841 163 2HG LYS 21 1HG LYS 21 -8.739 -0.083 -17.648 164 1HD LYS 21 2HD LYS 21 -8.559 0.751 -19.838 165 2HD LYS 21 1HD LYS 21 -6.881 0.232 -19.998 166 1HE LYS 21 2HE LYS 21 -7.914 -1.436 -21.222 167 2HE LYS 21 1HE LYS 21 -7.962 -2.175 -19.622 168 1HZ LYS 21 1HZ LYS 21 -10.118 -2.277 -20.701 169 2HZ LYS 21 2HZ LYS 21 -10.144 -0.586 -20.863 170 3HZ LYS 21 3HZ LYS 21 -10.193 -1.295 -19.320 171 H ALA 22 H ALA 22 -4.141 1.629 -18.942 172 HA ALA 22 HA ALA 22 -4.248 -0.082 -21.171 173 1HB ALA 22 1HB ALA 22 -3.585 2.284 -21.344 174 2HB ALA 22 2HB ALA 22 -2.361 1.232 -22.054 175 3HB ALA 22 3HB ALA 22 -2.103 1.933 -20.457 176 H ALA 23 H ALA 23 -1.732 0.304 -18.692 177 HA ALA 23 HA ALA 23 -0.064 -1.796 -19.727 178 1HB ALA 23 1HB ALA 23 0.810 0.092 -18.349 179 2HB ALA 23 2HB ALA 23 1.237 -1.490 -17.697 180 3HB ALA 23 3HB ALA 23 -0.069 -0.557 -16.965 181 H PHE 24 H PHE 24 -2.702 -1.536 -17.468 182 HA PHE 24 HA PHE 24 -2.338 -3.963 -16.061 183 1HB PHE 24 2HB PHE 24 -3.888 -1.978 -15.502 184 2HB PHE 24 1HB PHE 24 -5.026 -2.724 -16.621 185 HD1 PHE 24 HD1 PHE 24 -5.747 -5.133 -16.213 186 HD2 PHE 24 HD2 PHE 24 -3.603 -2.821 -13.302 187 HE1 PHE 24 HE1 PHE 24 -6.457 -6.705 -14.435 188 HE2 PHE 24 HE2 PHE 24 -4.315 -4.387 -11.526 189 HZ PHE 24 HZ PHE 24 -5.748 -6.323 -12.091 190 H ASP 25 H ASP 25 -4.179 -3.166 -19.028 191 HA ASP 25 HA ASP 25 -5.289 -5.800 -19.241 192 1HB ASP 25 2HB ASP 25 -6.048 -5.133 -21.471 193 2HB ASP 25 1HB ASP 25 -6.442 -3.920 -20.265 194 H ILE 26 H ILE 26 -2.284 -4.387 -20.356 195 HA ILE 26 HA ILE 26 -1.776 -6.501 -22.270 196 HB ILE 26 HB ILE 26 0.521 -5.533 -22.404 197 1HG1 ILE 26 2HG1 ILE 26 -0.565 -3.454 -20.481 198 2HG1 ILE 26 1HG1 ILE 26 0.569 -4.720 -20.019 199 1HG2 ILE 26 1HG2 ILE 26 -1.474 -3.287 -22.573 200 2HG2 ILE 26 2HG2 ILE 26 -1.628 -4.689 -23.630 201 3HG2 ILE 26 3HG2 ILE 26 -0.169 -3.700 -23.685 202 1HD1 ILE 26 1HD1 ILE 26 1.676 -3.563 -22.324 203 2HD1 ILE 26 2HD1 ILE 26 2.231 -3.350 -20.664 204 3HD1 ILE 26 3HD1 ILE 26 1.087 -2.205 -21.364 205 H PHE 27 H PHE 27 -0.826 -5.779 -18.929 206 HA PHE 27 HA PHE 27 1.010 -7.987 -18.747 207 1HB PHE 27 2HB PHE 27 -0.268 -6.254 -16.619 208 2HB PHE 27 1HB PHE 27 0.914 -7.517 -16.274 209 HD1 PHE 27 HD1 PHE 27 2.765 -7.276 -18.570 210 HD2 PHE 27 HD2 PHE 27 0.873 -4.220 -16.215 211 HE1 PHE 27 HE1 PHE 27 4.589 -5.704 -19.145 212 HE2 PHE 27 HE2 PHE 27 2.703 -2.644 -16.800 213 HZ PHE 27 HZ PHE 27 4.560 -3.389 -18.261 214 H ILE 28 H ILE 28 -2.417 -7.497 -17.938 215 HA ILE 28 HA ILE 28 -2.591 -10.255 -16.920 216 HB ILE 28 HB ILE 28 -4.789 -9.730 -16.129 217 1HG1 ILE 28 2HG1 ILE 28 -5.406 -7.121 -16.657 218 2HG1 ILE 28 1HG1 ILE 28 -4.613 -7.583 -18.164 219 1HG2 ILE 28 1HG2 ILE 28 -4.361 -7.788 -14.686 220 2HG2 ILE 28 2HG2 ILE 28 -3.006 -7.315 -15.711 221 3HG2 ILE 28 3HG2 ILE 28 -2.931 -8.816 -14.788 222 1HD1 ILE 28 1HD1 ILE 28 -6.590 -9.509 -17.044 223 2HD1 ILE 28 2HD1 ILE 28 -6.249 -9.093 -18.724 224 3HD1 ILE 28 3HD1 ILE 28 -7.231 -8.015 -17.731 225 H GLN 29 H GLN 29 -2.431 -9.114 -19.897 226 HA GLN 29 HA GLN 29 -4.690 -9.698 -21.351 227 1HB GLN 29 2HB GLN 29 -2.660 -8.797 -22.367 228 2HB GLN 29 1HB GLN 29 -1.822 -10.325 -22.094 229 1HG GLN 29 2HG GLN 29 -3.224 -11.484 -23.636 230 2HG GLN 29 1HG GLN 29 -4.371 -10.146 -23.712 231 1HE2 GLN 29 1HE2 GLN 29 -3.213 -7.957 -24.460 232 2HE2 GLN 29 2HE2 GLN 29 -2.142 -8.125 -25.766 233 H ASP 30 H ASP 30 -2.273 -11.994 -20.145 234 HA ASP 30 HA ASP 30 -3.872 -14.244 -21.176 235 1HB ASP 30 2HB ASP 30 -1.891 -15.629 -20.675 236 2HB ASP 30 1HB ASP 30 -1.496 -14.291 -21.752 237 H ALA 31 H ALA 31 -4.199 -12.498 -18.563 238 HA ALA 31 HA ALA 31 -4.196 -14.678 -16.590 239 1HB ALA 31 1HB ALA 31 -4.443 -12.985 -14.910 240 2HB ALA 31 2HB ALA 31 -4.798 -11.753 -16.121 241 3HB ALA 31 3HB ALA 31 -3.178 -12.441 -16.012 242 H GLU 32 H GLU 32 -6.042 -15.171 -15.376 243 HA GLU 32 HA GLU 32 -8.611 -14.254 -16.531 244 1HB GLU 32 2HB GLU 32 -7.804 -17.056 -15.716 245 2HB GLU 32 1HB GLU 32 -9.476 -16.573 -15.998 246 1HG GLU 32 2HG GLU 32 -7.306 -16.138 -18.061 247 2HG GLU 32 1HG GLU 32 -8.251 -17.624 -17.989 248 H ASP 33 H ASP 33 -7.417 -13.005 -14.357 249 HA ASP 33 HA ASP 33 -9.260 -13.763 -12.175 250 1HB ASP 33 2HB ASP 33 -6.680 -14.353 -11.906 251 2HB ASP 33 1HB ASP 33 -6.589 -12.651 -11.452 252 H GLY 34 H GLY 34 -7.058 -11.230 -13.383 253 1HA GLY 34 2HA GLY 34 -7.973 -9.028 -13.917 254 2HA GLY 34 1HA GLY 34 -9.040 -9.200 -12.527 255 H CYS 35 H CYS 35 -5.579 -9.931 -12.776 256 HA CYS 35 HA CYS 35 -4.773 -7.584 -11.288 257 1HB CYS 35 2HB CYS 35 -3.766 -8.923 -9.417 258 2HB CYS 35 1HB CYS 35 -5.528 -8.886 -9.405 259 HG CYS 35 HG CYS 35 -3.818 -11.353 -10.261 260 H ILE 36 H ILE 36 -2.566 -7.201 -11.434 261 HA ILE 36 HA ILE 36 -1.167 -8.859 -13.396 262 HB ILE 36 HB ILE 36 0.407 -7.093 -13.627 263 1HG1 ILE 36 2HG1 ILE 36 -0.251 -5.071 -11.830 264 2HG1 ILE 36 1HG1 ILE 36 -0.337 -6.534 -10.849 265 1HG2 ILE 36 1HG2 ILE 36 -2.424 -6.139 -13.255 266 2HG2 ILE 36 2HG2 ILE 36 -1.529 -6.402 -14.751 267 3HG2 ILE 36 3HG2 ILE 36 -1.154 -5.013 -13.732 268 1HD1 ILE 36 1HD1 ILE 36 1.911 -6.776 -10.866 269 2HD1 ILE 36 2HD1 ILE 36 1.993 -5.157 -11.565 270 3HD1 ILE 36 3HD1 ILE 36 1.980 -6.572 -12.618 271 H SER 37 H SER 37 1.293 -9.111 -12.943 272 HA SER 37 HA SER 37 1.502 -10.523 -10.386 273 1HB SER 37 2HB SER 37 2.321 -11.275 -12.841 274 2HB SER 37 1HB SER 37 3.791 -10.490 -12.277 275 HG SER 37 HG SER 37 2.591 -12.825 -11.459 276 H THR 38 H THR 38 2.162 -9.390 -8.692 277 HA THR 38 HA THR 38 3.430 -6.903 -8.679 278 HB THR 38 HB THR 38 4.030 -7.387 -6.330 279 HG1 THR 38 HG1 THR 38 4.545 -9.431 -6.115 280 1HG2 THR 38 1HG2 THR 38 1.623 -8.211 -5.667 281 2HG2 THR 38 2HG2 THR 38 1.307 -8.050 -7.394 282 3HG2 THR 38 3HG2 THR 38 1.828 -6.650 -6.459 283 H LYS 39 H LYS 39 4.821 -10.164 -8.601 284 HA LYS 39 HA LYS 39 7.526 -9.377 -8.238 285 1HB LYS 39 2HB LYS 39 8.022 -11.684 -9.179 286 2HB LYS 39 1HB LYS 39 6.982 -11.642 -7.757 287 1HG LYS 39 2HG LYS 39 5.394 -12.750 -8.899 288 2HG LYS 39 1HG LYS 39 5.290 -11.405 -10.035 289 1HD LYS 39 2HD LYS 39 5.885 -13.095 -11.485 290 2HD LYS 39 1HD LYS 39 7.485 -12.514 -11.026 291 1HE LYS 39 2HE LYS 39 7.797 -14.291 -9.468 292 2HE LYS 39 1HE LYS 39 6.091 -14.734 -9.518 293 1HZ LYS 39 1HZ LYS 39 7.420 -16.254 -10.831 294 2HZ LYS 39 2HZ LYS 39 8.015 -14.969 -11.771 295 3HZ LYS 39 3HZ LYS 39 6.367 -15.380 -11.834 296 H GLU 40 H GLU 40 5.436 -9.475 -11.037 297 HA GLU 40 HA GLU 40 7.731 -9.021 -12.837 298 1HB GLU 40 2HB GLU 40 4.837 -9.627 -13.506 299 2HB GLU 40 1HB GLU 40 6.143 -9.430 -14.673 300 1HG GLU 40 2HG GLU 40 6.316 -11.468 -12.454 301 2HG GLU 40 1HG GLU 40 5.526 -11.842 -13.984 302 H LEU 41 H LEU 41 6.384 -7.053 -10.893 303 HA LEU 41 HA LEU 41 5.048 -5.129 -12.546 304 1HB LEU 41 2HB LEU 41 5.034 -5.485 -9.923 305 2HB LEU 41 1HB LEU 41 6.344 -4.327 -9.990 306 HG LEU 41 HG LEU 41 4.000 -3.498 -11.546 307 1HD1 LEU 41 1HD1 LEU 41 3.284 -4.837 -9.291 308 2HD1 LEU 41 2HD1 LEU 41 2.378 -3.471 -9.943 309 3HD1 LEU 41 3HD1 LEU 41 3.534 -3.219 -8.636 310 1HD2 LEU 41 1HD2 LEU 41 5.619 -1.846 -11.139 311 2HD2 LEU 41 2HD2 LEU 41 5.858 -2.357 -9.469 312 3HD2 LEU 41 3HD2 LEU 41 4.393 -1.488 -9.923 313 H GLY 42 H GLY 42 8.315 -5.986 -12.294 314 1HA GLY 42 2HA GLY 42 9.693 -3.553 -12.386 315 2HA GLY 42 1HA GLY 42 10.230 -5.042 -13.158 316 H LYS 43 H LYS 43 7.993 -5.344 -14.924 317 HA LYS 43 HA LYS 43 8.824 -3.692 -17.113 318 1HB LYS 43 2HB LYS 43 6.346 -5.426 -16.901 319 2HB LYS 43 1HB LYS 43 7.076 -4.814 -18.385 320 1HG LYS 43 2HG LYS 43 8.934 -6.299 -16.633 321 2HG LYS 43 1HG LYS 43 7.620 -7.269 -17.296 322 1HD LYS 43 2HD LYS 43 8.682 -5.539 -19.350 323 2HD LYS 43 1HD LYS 43 9.990 -6.463 -18.614 324 1HE LYS 43 2HE LYS 43 7.416 -7.803 -19.437 325 2HE LYS 43 1HE LYS 43 8.718 -7.545 -20.596 326 1HZ LYS 43 1HZ LYS 43 8.988 -8.974 -18.004 327 2HZ LYS 43 2HZ LYS 43 10.216 -8.758 -19.160 328 3HZ LYS 43 3HZ LYS 43 8.862 -9.717 -19.523 329 H VAL 44 H VAL 44 6.452 -3.378 -14.622 330 HA VAL 44 HA VAL 44 4.847 -1.392 -16.026 331 HB VAL 44 HB VAL 44 4.676 -1.955 -13.073 332 1HG1 VAL 44 1HG1 VAL 44 2.503 -1.130 -13.283 333 2HG1 VAL 44 2HG1 VAL 44 2.418 -1.506 -15.003 334 3HG1 VAL 44 3HG1 VAL 44 3.385 -0.141 -14.444 335 1HG2 VAL 44 1HG2 VAL 44 3.764 -4.016 -13.340 336 2HG2 VAL 44 2HG2 VAL 44 4.567 -4.018 -14.907 337 3HG2 VAL 44 3HG2 VAL 44 2.875 -3.535 -14.782 338 H MET 45 H MET 45 7.077 -1.592 -13.272 339 HA MET 45 HA MET 45 7.056 1.062 -12.435 340 1HB MET 45 2HB MET 45 9.331 -0.935 -12.463 341 2HB MET 45 1HB MET 45 9.408 0.627 -11.647 342 1HG MET 45 2HG MET 45 7.252 -0.076 -10.441 343 2HG MET 45 1HG MET 45 7.578 -1.701 -11.044 344 1HE MET 45 1HE MET 45 10.909 -2.701 -9.524 345 2HE MET 45 2HE MET 45 10.489 -2.107 -11.128 346 3HE MET 45 3HE MET 45 9.417 -3.238 -10.307 347 H ARG 46 H ARG 46 9.036 -0.483 -14.969 348 HA ARG 46 HA ARG 46 10.559 1.812 -15.640 349 1HB ARG 46 2HB ARG 46 10.999 0.667 -17.796 350 2HB ARG 46 1HB ARG 46 11.239 -0.398 -16.414 351 1HG ARG 46 2HG ARG 46 9.131 -1.490 -16.780 352 2HG ARG 46 1HG ARG 46 8.645 -0.286 -17.972 353 1HD ARG 46 2HD ARG 46 10.977 -1.136 -19.072 354 2HD ARG 46 1HD ARG 46 10.460 -2.610 -18.261 355 HE ARG 46 HE ARG 46 8.718 -2.792 -19.791 356 1HH1 ARG 46 2HH1 ARG 46 10.133 0.397 -19.945 357 2HH1 ARG 46 1HH1 ARG 46 9.257 0.855 -21.363 358 1HH2 ARG 46 1HH2 ARG 46 7.570 -2.165 -21.647 359 2HH2 ARG 46 2HH2 ARG 46 7.806 -0.588 -22.323 360 H MET 47 H MET 47 7.356 0.730 -16.608 361 HA MET 47 HA MET 47 7.019 2.669 -18.711 362 1HB MET 47 2HB MET 47 5.216 0.727 -17.292 363 2HB MET 47 1HB MET 47 4.519 1.997 -18.299 364 1HG MET 47 2HG MET 47 6.776 0.374 -19.415 365 2HG MET 47 1HG MET 47 5.171 -0.353 -19.345 366 1HE MET 47 1HE MET 47 7.550 1.952 -20.443 367 2HE MET 47 2HE MET 47 6.770 3.303 -21.261 368 3HE MET 47 3HE MET 47 7.197 1.858 -22.174 369 H LEU 48 H LEU 48 6.358 2.516 -15.261 370 HA LEU 48 HA LEU 48 4.716 4.892 -15.188 371 1HB LEU 48 2HB LEU 48 5.858 2.994 -13.210 372 2HB LEU 48 1HB LEU 48 5.499 4.608 -12.638 373 HG LEU 48 HG LEU 48 3.164 4.347 -13.127 374 1HD1 LEU 48 1HD1 LEU 48 2.766 3.209 -15.063 375 2HD1 LEU 48 2HD1 LEU 48 2.661 1.809 -13.996 376 3HD1 LEU 48 3HD1 LEU 48 4.164 2.158 -14.849 377 1HD2 LEU 48 1HD2 LEU 48 3.421 1.625 -12.116 378 2HD2 LEU 48 2HD2 LEU 48 2.838 3.071 -11.291 379 3HD2 LEU 48 3HD2 LEU 48 4.564 2.714 -11.327 380 H GLY 49 H GLY 49 8.114 4.109 -14.832 381 1HA GLY 49 2HA GLY 49 9.684 5.928 -15.449 382 2HA GLY 49 1HA GLY 49 8.722 6.985 -14.424 383 H GLN 50 H GLN 50 9.544 3.668 -13.546 384 HA GLN 50 HA GLN 50 11.510 4.661 -11.572 385 1HB GLN 50 2HB GLN 50 9.468 2.515 -10.954 386 2HB GLN 50 1HB GLN 50 10.587 3.289 -9.836 387 1HG GLN 50 2HG GLN 50 8.393 4.770 -11.321 388 2HG GLN 50 1HG GLN 50 8.220 4.146 -9.682 389 1HE2 GLN 50 1HE2 GLN 50 8.491 7.023 -10.940 390 2HE2 GLN 50 2HE2 GLN 50 9.640 7.761 -9.932 391 H ASN 51 H ASN 51 13.093 3.104 -10.917 392 HA ASN 51 HA ASN 51 13.156 0.538 -12.311 393 1HB ASN 51 2HB ASN 51 15.558 1.060 -13.088 394 2HB ASN 51 1HB ASN 51 14.230 1.741 -14.021 395 1HD2 ASN 51 1HD2 ASN 51 15.430 3.603 -14.764 396 2HD2 ASN 51 2HD2 ASN 51 15.928 4.836 -13.709 397 HA PRO 52 HA PRO 52 15.236 0.551 -8.141 398 1HB PRO 52 2HB PRO 52 13.372 -0.949 -6.810 399 2HB PRO 52 1HB PRO 52 13.308 0.816 -6.929 400 1HG PRO 52 2HG PRO 52 11.658 -1.220 -8.285 401 2HG PRO 52 1HG PRO 52 11.279 0.466 -7.906 402 1HD PRO 52 2HD PRO 52 12.077 -0.577 -10.438 403 2HD PRO 52 1HD PRO 52 11.890 1.137 -9.999 404 H THR 53 H THR 53 15.026 -1.803 -6.636 405 HA THR 53 HA THR 53 16.236 -3.787 -8.455 406 HB THR 53 HB THR 53 17.410 -4.626 -6.582 407 HG1 THR 53 HG1 THR 53 16.734 -3.846 -4.425 408 1HG2 THR 53 1HG2 THR 53 18.069 -2.286 -7.234 409 2HG2 THR 53 2HG2 THR 53 18.477 -2.724 -5.575 410 3HG2 THR 53 3HG2 THR 53 17.076 -1.703 -5.898 411 HA PRO 54 HA PRO 54 12.902 -6.618 -7.804 412 1HB PRO 54 2HB PRO 54 14.103 -9.009 -7.201 413 2HB PRO 54 1HB PRO 54 14.078 -8.293 -8.820 414 1HG PRO 54 2HG PRO 54 16.300 -8.437 -6.856 415 2HG PRO 54 1HG PRO 54 16.356 -8.401 -8.626 416 1HD PRO 54 2HD PRO 54 16.877 -6.228 -6.934 417 2HD PRO 54 1HD PRO 54 16.525 -6.114 -8.674 418 H GLU 55 H GLU 55 15.244 -6.484 -5.179 419 HA GLU 55 HA GLU 55 13.441 -7.678 -3.238 420 1HB GLU 55 2HB GLU 55 15.172 -7.093 -1.573 421 2HB GLU 55 1HB GLU 55 15.850 -7.992 -2.927 422 1HG GLU 55 2HG GLU 55 16.668 -5.913 -3.935 423 2HG GLU 55 1HG GLU 55 15.928 -4.973 -2.639 424 H GLU 56 H GLU 56 14.454 -4.448 -4.270 425 HA GLU 56 HA GLU 56 13.057 -3.084 -2.137 426 1HB GLU 56 2HB GLU 56 15.093 -2.292 -3.654 427 2HB GLU 56 1HB GLU 56 13.786 -1.692 -4.676 428 1HG GLU 56 2HG GLU 56 12.870 -0.784 -2.338 429 2HG GLU 56 1HG GLU 56 14.583 -0.848 -1.921 430 H LEU 57 H LEU 57 12.400 -4.031 -5.470 431 HA LEU 57 HA LEU 57 10.106 -2.496 -5.964 432 1HB LEU 57 2HB LEU 57 11.020 -3.576 -7.814 433 2HB LEU 57 1HB LEU 57 11.197 -5.094 -6.973 434 HG LEU 57 HG LEU 57 9.478 -4.966 -8.843 435 1HD1 LEU 57 1HD1 LEU 57 9.604 -6.454 -6.535 436 2HD1 LEU 57 2HD1 LEU 57 8.522 -6.777 -7.892 437 3HD1 LEU 57 3HD1 LEU 57 7.945 -5.854 -6.505 438 1HD2 LEU 57 1HD2 LEU 57 7.730 -3.546 -8.702 439 2HD2 LEU 57 2HD2 LEU 57 8.572 -2.777 -7.356 440 3HD2 LEU 57 3HD2 LEU 57 7.383 -4.041 -7.045 441 H GLN 58 H GLN 58 10.506 -5.741 -4.549 442 HA GLN 58 HA GLN 58 7.808 -6.372 -4.139 443 1HB GLN 58 2HB GLN 58 9.820 -7.898 -3.807 444 2HB GLN 58 1HB GLN 58 10.025 -7.131 -2.232 445 1HG GLN 58 2HG GLN 58 8.703 -9.159 -1.955 446 2HG GLN 58 1HG GLN 58 7.671 -7.760 -1.667 447 1HE2 GLN 58 1HE2 GLN 58 5.792 -7.596 -2.939 448 2HE2 GLN 58 2HE2 GLN 58 5.472 -8.564 -4.297 449 H GLU 59 H GLU 59 10.056 -4.513 -2.100 450 HA GLU 59 HA GLU 59 8.427 -4.211 0.173 451 1HB GLU 59 2HB GLU 59 10.653 -2.589 -1.018 452 2HB GLU 59 1HB GLU 59 9.727 -1.930 0.329 453 1HG GLU 59 2HG GLU 59 10.430 -3.592 1.804 454 2HG GLU 59 1HG GLU 59 10.777 -4.737 0.509 455 H MET 60 H MET 60 8.640 -2.289 -2.806 456 HA MET 60 HA MET 60 6.787 -0.268 -2.079 457 1HB MET 60 2HB MET 60 7.354 -1.310 -4.866 458 2HB MET 60 1HB MET 60 6.667 0.259 -4.447 459 1HG MET 60 2HG MET 60 9.314 -0.493 -3.270 460 2HG MET 60 1HG MET 60 9.258 0.006 -4.959 461 1HE MET 60 1HE MET 60 10.983 2.344 -3.585 462 2HE MET 60 2HE MET 60 10.032 3.383 -4.644 463 3HE MET 60 3HE MET 60 10.393 1.730 -5.135 464 H ILE 61 H ILE 61 6.444 -3.410 -3.627 465 HA ILE 61 HA ILE 61 3.722 -3.256 -4.353 466 HB ILE 61 HB ILE 61 5.318 -5.695 -3.522 467 1HG1 ILE 61 2HG1 ILE 61 6.357 -4.594 -5.424 468 2HG1 ILE 61 1HG1 ILE 61 5.516 -6.028 -6.002 469 1HG2 ILE 61 1HG2 ILE 61 2.832 -5.594 -5.242 470 2HG2 ILE 61 2HG2 ILE 61 2.773 -5.884 -3.504 471 3HG2 ILE 61 3HG2 ILE 61 3.620 -7.015 -4.558 472 1HD1 ILE 61 1HD1 ILE 61 4.553 -3.160 -6.171 473 2HD1 ILE 61 2HD1 ILE 61 3.554 -4.555 -6.578 474 3HD1 ILE 61 3HD1 ILE 61 5.009 -4.210 -7.513 475 H ASP 62 H ASP 62 5.226 -4.694 -1.443 476 HA ASP 62 HA ASP 62 2.881 -5.418 -0.107 477 1HB ASP 62 2HB ASP 62 5.625 -4.668 0.878 478 2HB ASP 62 1HB ASP 62 4.332 -5.080 2.003 479 H GLU 63 H GLU 63 4.546 -2.297 -0.235 480 HA GLU 63 HA GLU 63 3.158 -0.994 1.846 481 1HB GLU 63 2HB GLU 63 4.567 -0.007 -0.622 482 2HB GLU 63 1HB GLU 63 3.708 1.112 0.438 483 1HG GLU 63 2HG GLU 63 5.079 0.531 2.315 484 2HG GLU 63 1HG GLU 63 5.772 -0.850 1.463 485 H VAL 64 H VAL 64 2.442 -1.179 -1.652 486 HA VAL 64 HA VAL 64 -0.028 0.317 -1.316 487 HB VAL 64 HB VAL 64 1.354 0.558 -3.367 488 1HG1 VAL 64 1HG1 VAL 64 1.335 -1.236 -5.045 489 2HG1 VAL 64 2HG1 VAL 64 0.428 -2.272 -3.942 490 3HG1 VAL 64 3HG1 VAL 64 2.081 -1.799 -3.550 491 1HG2 VAL 64 1HG2 VAL 64 -1.418 0.405 -3.140 492 2HG2 VAL 64 2HG2 VAL 64 -1.062 -0.581 -4.559 493 3HG2 VAL 64 3HG2 VAL 64 -0.529 1.099 -4.495 494 H ASP 65 H ASP 65 0.940 -3.059 -1.548 495 HA ASP 65 HA ASP 65 -1.676 -4.098 -2.104 496 1HB ASP 65 2HB ASP 65 0.899 -5.169 -2.034 497 2HB ASP 65 1HB ASP 65 0.077 -5.943 -0.684 498 H GLU 66 H GLU 66 -3.266 -3.651 -0.719 499 HA GLU 66 HA GLU 66 -2.948 -3.252 2.075 500 1HB GLU 66 2HB GLU 66 -5.447 -3.434 2.153 501 2HB GLU 66 1HB GLU 66 -4.846 -2.262 0.984 502 1HG GLU 66 2HG GLU 66 -5.978 -3.326 -0.643 503 2HG GLU 66 1HG GLU 66 -5.011 -4.770 -0.357 504 H ASP 67 H ASP 67 -3.710 -6.090 0.142 505 HA ASP 67 HA ASP 67 -4.099 -7.701 2.575 506 1HB ASP 67 2HB ASP 67 -4.705 -9.517 0.866 507 2HB ASP 67 1HB ASP 67 -5.828 -8.172 1.038 508 H GLY 68 H GLY 68 -1.972 -7.347 -0.215 509 1HA GLY 68 2HA GLY 68 0.216 -8.051 -0.505 510 2HA GLY 68 1HA GLY 68 0.184 -8.689 1.135 511 H SER 69 H SER 69 -1.836 -9.427 -1.702 512 HA SER 69 HA SER 69 -1.617 -12.270 -1.215 513 1HB SER 69 2HB SER 69 -3.055 -12.464 -3.246 514 2HB SER 69 1HB SER 69 -3.737 -11.417 -2.005 515 HG SER 69 HG SER 69 -3.758 -9.941 -3.495 516 H GLY 70 H GLY 70 -0.062 -9.937 -3.290 517 1HA GLY 70 2HA GLY 70 2.093 -10.481 -4.257 518 2HA GLY 70 1HA GLY 70 1.505 -12.118 -4.530 519 H THR 71 H THR 71 -0.867 -9.763 -5.193 520 HA THR 71 HA THR 71 -0.123 -9.504 -8.022 521 HB THR 71 HB THR 71 -2.318 -10.210 -8.789 522 HG1 THR 71 HG1 THR 71 -3.792 -9.883 -7.313 523 1HG2 THR 71 1HG2 THR 71 -1.275 -12.273 -6.833 524 2HG2 THR 71 2HG2 THR 71 -0.538 -11.943 -8.401 525 3HG2 THR 71 3HG2 THR 71 -2.180 -12.578 -8.316 526 H VAL 72 H VAL 72 -0.617 -7.532 -8.834 527 HA VAL 72 HA VAL 72 -1.933 -5.635 -7.023 528 HB VAL 72 HB VAL 72 -0.722 -4.969 -9.701 529 1HG1 VAL 72 1HG1 VAL 72 -2.228 -3.372 -8.341 530 2HG1 VAL 72 2HG1 VAL 72 -0.667 -2.753 -8.878 531 3HG1 VAL 72 3HG1 VAL 72 -0.879 -3.278 -7.208 532 1HG2 VAL 72 1HG2 VAL 72 1.316 -4.322 -8.309 533 2HG2 VAL 72 2HG2 VAL 72 1.070 -6.056 -8.535 534 3HG2 VAL 72 3HG2 VAL 72 0.622 -5.290 -7.009 535 H ASP 73 H ASP 73 -4.022 -5.296 -7.196 536 HA ASP 73 HA ASP 73 -5.457 -5.993 -9.646 537 1HB ASP 73 2HB ASP 73 -6.340 -5.079 -6.901 538 2HB ASP 73 1HB ASP 73 -7.464 -5.227 -8.253 539 H PHE 74 H PHE 74 -7.103 -4.328 -10.465 540 HA PHE 74 HA PHE 74 -5.760 -2.024 -11.305 541 1HB PHE 74 2HB PHE 74 -7.861 -3.036 -12.336 542 2HB PHE 74 1HB PHE 74 -8.766 -2.167 -11.095 543 HD1 PHE 74 HD1 PHE 74 -5.736 -1.311 -13.135 544 HD2 PHE 74 HD2 PHE 74 -9.753 -0.268 -12.028 545 HE1 PHE 74 HE1 PHE 74 -5.571 0.767 -14.478 546 HE2 PHE 74 HE2 PHE 74 -9.584 1.810 -13.368 547 HZ PHE 74 HZ PHE 74 -7.495 2.328 -14.595 548 H ASP 75 H ASP 75 -7.886 -2.533 -8.517 549 HA ASP 75 HA ASP 75 -8.145 0.181 -7.738 550 1HB ASP 75 2HB ASP 75 -9.452 -1.835 -6.839 551 2HB ASP 75 1HB ASP 75 -8.051 -2.148 -5.815 552 H GLU 76 H GLU 76 -5.784 -2.341 -6.911 553 HA GLU 76 HA GLU 76 -4.232 -0.646 -5.166 554 1HB GLU 76 2HB GLU 76 -3.420 -3.264 -6.446 555 2HB GLU 76 1HB GLU 76 -2.694 -2.504 -5.030 556 1HG GLU 76 2HG GLU 76 -4.682 -2.845 -3.723 557 2HG GLU 76 1HG GLU 76 -5.608 -3.327 -5.143 558 H PHE 77 H PHE 77 -4.414 -1.116 -8.555 559 HA PHE 77 HA PHE 77 -1.705 -0.508 -9.244 560 1HB PHE 77 2HB PHE 77 -3.748 -1.633 -10.587 561 2HB PHE 77 1HB PHE 77 -3.913 0.017 -11.164 562 HD1 PHE 77 HD1 PHE 77 -3.404 -0.783 -13.421 563 HD2 PHE 77 HD2 PHE 77 -0.541 -1.151 -10.231 564 HE1 PHE 77 HE1 PHE 77 -1.607 -1.193 -15.069 565 HE2 PHE 77 HE2 PHE 77 1.250 -1.550 -11.889 566 HZ PHE 77 HZ PHE 77 0.717 -1.577 -14.311 567 H LEU 78 H LEU 78 -4.735 1.356 -9.133 568 HA LEU 78 HA LEU 78 -3.575 3.773 -10.133 569 1HB LEU 78 2HB LEU 78 -6.159 3.162 -8.730 570 2HB LEU 78 1HB LEU 78 -5.709 4.796 -9.174 571 HG LEU 78 HG LEU 78 -6.709 4.433 -11.147 572 1HD1 LEU 78 1HD1 LEU 78 -5.557 3.126 -12.847 573 2HD1 LEU 78 2HD1 LEU 78 -4.670 2.234 -11.612 574 3HD1 LEU 78 3HD1 LEU 78 -4.356 3.953 -11.854 575 1HD2 LEU 78 1HD2 LEU 78 -8.101 2.653 -11.333 576 2HD2 LEU 78 2HD2 LEU 78 -7.483 2.188 -9.748 577 3HD2 LEU 78 3HD2 LEU 78 -6.778 1.494 -11.209 578 H VAL 79 H VAL 79 -3.703 2.374 -6.942 579 HA VAL 79 HA VAL 79 -3.365 4.848 -5.501 580 HB VAL 79 HB VAL 79 -2.131 2.658 -4.081 581 1HG1 VAL 79 1HG1 VAL 79 -3.940 3.218 -2.456 582 2HG1 VAL 79 2HG1 VAL 79 -4.659 4.279 -3.668 583 3HG1 VAL 79 3HG1 VAL 79 -3.056 4.641 -3.017 584 1HG2 VAL 79 1HG2 VAL 79 -4.152 1.242 -3.842 585 2HG2 VAL 79 2HG2 VAL 79 -3.497 1.207 -5.481 586 3HG2 VAL 79 3HG2 VAL 79 -4.931 2.173 -5.124 587 H MET 80 H MET 80 -1.240 2.277 -6.646 588 HA MET 80 HA MET 80 1.220 2.933 -5.703 589 1HB MET 80 2HB MET 80 0.286 1.408 -7.834 590 2HB MET 80 1HB MET 80 1.389 2.559 -8.587 591 1HG MET 80 2HG MET 80 3.004 1.945 -6.643 592 2HG MET 80 1HG MET 80 1.965 0.535 -6.429 593 1HE MET 80 1HE MET 80 1.677 -1.383 -8.039 594 2HE MET 80 2HE MET 80 2.127 -1.340 -9.741 595 3HE MET 80 3HE MET 80 0.921 -0.213 -9.129 596 H MET 81 H MET 81 -0.525 4.692 -8.257 597 HA MET 81 HA MET 81 1.643 6.452 -8.913 598 1HB MET 81 2HB MET 81 -0.234 6.073 -10.463 599 2HB MET 81 1HB MET 81 -1.333 6.849 -9.326 600 1HG MET 81 2HG MET 81 -0.695 8.914 -9.984 601 2HG MET 81 1HG MET 81 1.014 8.499 -9.865 602 1HE MET 81 1HE MET 81 1.870 6.661 -11.188 603 2HE MET 81 2HE MET 81 2.482 7.675 -12.492 604 3HE MET 81 3HE MET 81 1.490 6.269 -12.871 605 H VAL 82 H VAL 82 -1.424 7.095 -7.173 606 HA VAL 82 HA VAL 82 -0.680 9.649 -6.235 607 HB VAL 82 HB VAL 82 -2.530 9.387 -4.591 608 1HG1 VAL 82 1HG1 VAL 82 -2.941 8.642 -7.487 609 2HG1 VAL 82 2HG1 VAL 82 -3.189 10.206 -6.711 610 3HG1 VAL 82 3HG1 VAL 82 -4.304 8.876 -6.392 611 1HG2 VAL 82 1HG2 VAL 82 -2.914 6.647 -5.820 612 2HG2 VAL 82 2HG2 VAL 82 -3.788 7.352 -4.460 613 3HG2 VAL 82 3HG2 VAL 82 -2.095 6.893 -4.277 614 H ARG 83 H ARG 83 -0.075 6.444 -4.928 615 HA ARG 83 HA ARG 83 0.633 7.177 -2.290 616 1HB ARG 83 2HB ARG 83 1.430 4.841 -4.030 617 2HB ARG 83 1HB ARG 83 1.994 5.017 -2.369 618 1HG ARG 83 2HG ARG 83 -0.828 5.484 -2.395 619 2HG ARG 83 1HG ARG 83 -0.513 3.991 -3.278 620 1HD ARG 83 2HD ARG 83 0.578 2.992 -1.431 621 2HD ARG 83 1HD ARG 83 0.778 4.536 -0.609 622 HE ARG 83 HE ARG 83 -1.993 3.880 -0.995 623 1HH1 ARG 83 2HH1 ARG 83 0.817 3.246 0.980 624 2HH1 ARG 83 1HH1 ARG 83 -0.108 2.828 2.382 625 1HH2 ARG 83 1HH2 ARG 83 -3.184 3.331 0.855 626 2HH2 ARG 83 2HH2 ARG 83 -2.366 2.875 2.313 627 H CYS 84 H CYS 84 2.499 6.963 -5.285 628 HA CYS 84 HA CYS 84 4.998 7.654 -3.975 629 1HB CYS 84 2HB CYS 84 4.619 6.201 -6.132 630 2HB CYS 84 1HB CYS 84 4.623 7.764 -6.947 631 HG CYS 84 HG CYS 84 7.076 6.360 -5.971 632 H MET 85 H MET 85 2.598 9.253 -6.051 633 HA MET 85 HA MET 85 4.051 11.687 -6.376 634 1HB MET 85 2HB MET 85 1.830 10.662 -7.552 635 2HB MET 85 1HB MET 85 1.094 11.821 -6.445 636 1HG MET 85 2HG MET 85 1.498 13.216 -8.241 637 2HG MET 85 1HG MET 85 3.028 13.398 -7.384 638 1HE MET 85 1HE MET 85 4.484 13.628 -10.666 639 2HE MET 85 2HE MET 85 3.399 14.427 -9.531 640 3HE MET 85 3HE MET 85 2.749 13.695 -10.996 641 H LYS 86 H LYS 86 1.425 10.708 -4.174 642 HA LYS 86 HA LYS 86 2.115 13.018 -2.454 643 1HB LYS 86 2HB LYS 86 -0.103 13.271 -3.570 644 2HB LYS 86 1HB LYS 86 -0.628 11.782 -2.787 645 1HG LYS 86 2HG LYS 86 0.575 13.824 -0.999 646 2HG LYS 86 1HG LYS 86 -0.991 14.239 -1.695 647 1HD LYS 86 2HD LYS 86 -1.819 11.967 -0.930 648 2HD LYS 86 1HD LYS 86 -0.308 11.798 -0.037 649 1HE LYS 86 2HE LYS 86 -1.543 12.774 1.632 650 2HE LYS 86 1HE LYS 86 -1.039 14.252 0.813 651 1HZ LYS 86 1HZ LYS 86 -3.433 14.194 1.216 652 2HZ LYS 86 2HZ LYS 86 -3.565 12.779 0.285 653 3HZ LYS 86 3HZ LYS 86 -3.085 14.238 -0.444 654 H ASP 87 H ASP 87 2.600 12.570 -0.398 655 HA ASP 87 HA ASP 87 1.521 10.363 1.058 656 1HB ASP 87 2HB ASP 87 3.819 9.253 1.419 657 2HB ASP 87 1HB ASP 87 2.985 8.915 -0.096 658 H ASP 88 H ASP 88 1.536 13.021 1.603 659 HA ASP 88 HA ASP 88 1.988 14.555 3.245 660 1HB ASP 88 2HB ASP 88 3.087 12.110 4.660 661 2HB ASP 88 1HB ASP 88 2.820 13.677 5.422 662 H SER 89 HN SER 89 3.472 15.609 1.834 663 HA SER 89 HA SER 89 5.445 16.695 1.411 664 1HB SER 89 2HB SER 89 5.499 16.452 4.058 665 2HB SER 89 1HB SER 89 6.858 15.396 3.689 666 HG SER 89 HG SER 89 7.972 17.065 2.992 Start of MODEL 38 1 1H MET 1 1H MET 1 -10.052 10.580 9.788 2 2H MET 1 2H MET 1 -9.840 9.137 8.918 3 3H MET 1 3H MET 1 -9.452 10.628 8.203 4 HA MET 1 HA MET 1 -7.732 10.950 9.954 5 1HB MET 1 2HB MET 1 -9.022 8.912 11.218 6 2HB MET 1 1HB MET 1 -7.707 8.027 10.448 7 1HG MET 1 2HG MET 1 -6.724 8.672 12.466 8 2HG MET 1 1HG MET 1 -6.212 9.969 11.387 9 1HE MET 1 1HE MET 1 -7.057 11.343 15.072 10 2HE MET 1 2HE MET 1 -5.752 11.000 13.940 11 3HE MET 1 3HE MET 1 -6.645 9.670 14.673 12 H ASN 2 H ASN 2 -8.274 7.857 8.232 13 HA ASN 2 HA ASN 2 -5.802 8.379 6.684 14 1HB ASN 2 2HB ASN 2 -5.697 5.874 6.395 15 2HB ASN 2 1HB ASN 2 -5.439 6.431 8.048 16 1HD2 ASN 2 1HD2 ASN 2 -7.717 4.742 5.920 17 2HD2 ASN 2 2HD2 ASN 2 -8.736 4.191 7.161 18 H ASP 3 H ASP 3 -8.309 9.449 5.936 19 HA ASP 3 HA ASP 3 -9.330 7.734 3.790 20 1HB ASP 3 2HB ASP 3 -10.226 10.378 4.933 21 2HB ASP 3 1HB ASP 3 -10.922 9.706 3.459 22 H ILE 4 H ILE 4 -6.850 9.966 4.133 23 HA ILE 4 HA ILE 4 -7.001 11.595 1.880 24 HB ILE 4 HB ILE 4 -4.612 11.874 2.015 25 1HG1 ILE 4 2HG1 ILE 4 -4.148 9.364 2.259 26 2HG1 ILE 4 1HG1 ILE 4 -3.130 10.438 3.206 27 1HG2 ILE 4 1HG2 ILE 4 -5.069 13.118 3.823 28 2HG2 ILE 4 2HG2 ILE 4 -4.690 11.719 4.826 29 3HG2 ILE 4 3HG2 ILE 4 -6.352 12.015 4.318 30 1HD1 ILE 4 1HD1 ILE 4 -4.962 10.055 5.068 31 2HD1 ILE 4 2HD1 ILE 4 -3.711 8.842 4.799 32 3HD1 ILE 4 3HD1 ILE 4 -5.324 8.608 4.127 33 H TYR 5 H TYR 5 -6.161 8.199 2.104 34 HA TYR 5 HA TYR 5 -4.968 7.937 -0.478 35 1HB TYR 5 2HB TYR 5 -6.380 5.835 1.191 36 2HB TYR 5 1HB TYR 5 -5.338 5.522 -0.196 37 HD1 TYR 5 HD1 TYR 5 -2.899 6.124 -0.088 38 HD2 TYR 5 HD2 TYR 5 -5.471 6.331 3.348 39 HE1 TYR 5 HE1 TYR 5 -0.915 6.179 1.393 40 HE2 TYR 5 HE2 TYR 5 -3.485 6.387 4.831 41 HH TYR 5 HH TYR 5 -0.664 5.419 4.167 42 H LYS 6 H LYS 6 -8.255 7.447 0.771 43 HA LYS 6 HA LYS 6 -9.373 6.645 -1.749 44 1HB LYS 6 2HB LYS 6 -10.657 7.573 0.828 45 2HB LYS 6 1HB LYS 6 -11.565 7.008 -0.575 46 1HG LYS 6 2HG LYS 6 -11.371 4.996 0.516 47 2HG LYS 6 1HG LYS 6 -9.835 4.959 -0.351 48 1HD LYS 6 2HD LYS 6 -8.598 5.549 1.545 49 2HD LYS 6 1HD LYS 6 -9.989 6.275 2.349 50 1HE LYS 6 2HE LYS 6 -9.798 4.271 3.516 51 2HE LYS 6 1HE LYS 6 -10.947 3.819 2.257 52 1HZ LYS 6 1HZ LYS 6 -9.107 2.957 0.941 53 2HZ LYS 6 2HZ LYS 6 -9.181 2.189 2.455 54 3HZ LYS 6 3HZ LYS 6 -8.008 3.385 2.162 55 H ALA 7 H ALA 7 -8.876 9.708 -0.118 56 HA ALA 7 HA ALA 7 -10.761 11.282 -1.499 57 1HB ALA 7 1HB ALA 7 -9.591 13.171 -0.686 58 2HB ALA 7 2HB ALA 7 -8.065 12.291 -0.601 59 3HB ALA 7 3HB ALA 7 -9.356 11.927 0.543 60 H ALA 8 H ALA 8 -7.454 10.308 -2.352 61 HA ALA 8 HA ALA 8 -7.273 12.022 -4.650 62 1HB ALA 8 1HB ALA 8 -5.256 10.729 -5.194 63 2HB ALA 8 2HB ALA 8 -5.669 9.552 -3.947 64 3HB ALA 8 3HB ALA 8 -5.257 11.206 -3.496 65 H VAL 9 H VAL 9 -7.978 8.563 -4.173 66 HA VAL 9 HA VAL 9 -8.273 7.978 -6.948 67 HB VAL 9 HB VAL 9 -7.848 6.289 -5.118 68 1HG1 VAL 9 1HG1 VAL 9 -9.844 5.385 -3.961 69 2HG1 VAL 9 2HG1 VAL 9 -10.818 6.683 -4.651 70 3HG1 VAL 9 3HG1 VAL 9 -9.525 7.059 -3.514 71 1HG2 VAL 9 1HG2 VAL 9 -10.298 5.612 -6.758 72 2HG2 VAL 9 2HG2 VAL 9 -8.969 4.548 -6.295 73 3HG2 VAL 9 3HG2 VAL 9 -8.709 5.813 -7.496 74 H GLU 10 H GLU 10 -10.335 9.486 -4.616 75 HA GLU 10 HA GLU 10 -12.806 8.971 -6.038 76 1HB GLU 10 2HB GLU 10 -12.027 10.504 -3.591 77 2HB GLU 10 1HB GLU 10 -13.552 10.895 -4.387 78 1HG GLU 10 2HG GLU 10 -14.324 8.613 -4.179 79 2HG GLU 10 1HG GLU 10 -12.750 8.085 -3.584 80 H GLN 11 H GLN 11 -10.250 11.330 -6.181 81 HA GLN 11 HA GLN 11 -11.914 12.960 -8.012 82 1HB GLN 11 2HB GLN 11 -10.843 14.969 -7.240 83 2HB GLN 11 1HB GLN 11 -11.448 14.105 -5.828 84 1HG GLN 11 2HG GLN 11 -9.093 13.055 -5.684 85 2HG GLN 11 1HG GLN 11 -8.597 14.319 -6.808 86 1HE2 GLN 11 1HE2 GLN 11 -8.134 13.824 -3.743 87 2HE2 GLN 11 2HE2 GLN 11 -8.483 15.339 -3.061 88 H LEU 12 H LEU 12 -9.959 10.714 -8.532 89 HA LEU 12 HA LEU 12 -7.676 12.004 -9.769 90 1HB LEU 12 2HB LEU 12 -7.383 9.644 -10.788 91 2HB LEU 12 1HB LEU 12 -7.078 9.891 -9.088 92 HG LEU 12 HG LEU 12 -9.119 8.797 -8.483 93 1HD1 LEU 12 1HD1 LEU 12 -10.680 9.627 -10.095 94 2HD1 LEU 12 2HD1 LEU 12 -10.621 7.881 -10.328 95 3HD1 LEU 12 3HD1 LEU 12 -9.757 8.946 -11.436 96 1HD2 LEU 12 1HD2 LEU 12 -8.817 6.578 -9.606 97 2HD2 LEU 12 2HD2 LEU 12 -7.302 7.282 -9.043 98 3HD2 LEU 12 3HD2 LEU 12 -7.724 7.352 -10.754 99 H THR 13 H THR 13 -7.170 11.370 -12.120 100 HA THR 13 HA THR 13 -9.507 12.126 -13.753 101 HB THR 13 HB THR 13 -7.377 12.229 -15.465 102 HG1 THR 13 HG1 THR 13 -5.747 11.948 -14.103 103 1HG2 THR 13 1HG2 THR 13 -9.209 13.959 -14.492 104 2HG2 THR 13 2HG2 THR 13 -7.861 14.451 -15.516 105 3HG2 THR 13 3HG2 THR 13 -7.748 14.625 -13.764 106 H ASP 14 H ASP 14 -9.488 11.202 -16.016 107 HA ASP 14 HA ASP 14 -9.577 8.334 -15.862 108 1HB ASP 14 2HB ASP 14 -10.028 10.341 -18.061 109 2HB ASP 14 1HB ASP 14 -9.941 8.618 -18.422 110 H GLU 15 H GLU 15 -7.348 10.754 -17.096 111 HA GLU 15 HA GLU 15 -5.691 9.022 -18.620 112 1HB GLU 15 2HB GLU 15 -4.120 10.816 -18.688 113 2HB GLU 15 1HB GLU 15 -5.719 11.550 -18.729 114 1HG GLU 15 2HG GLU 15 -4.835 12.870 -17.082 115 2HG GLU 15 1HG GLU 15 -5.320 11.526 -16.056 116 H GLN 16 H GLN 16 -5.796 9.882 -15.208 117 HA GLN 16 HA GLN 16 -3.292 8.825 -14.412 118 1HB GLN 16 2HB GLN 16 -4.959 10.294 -13.071 119 2HB GLN 16 1HB GLN 16 -5.746 8.768 -12.664 120 1HG GLN 16 2HG GLN 16 -2.974 8.351 -12.277 121 2HG GLN 16 1HG GLN 16 -3.342 9.917 -11.554 122 1HE2 GLN 16 1HE2 GLN 16 -4.923 6.658 -11.718 123 2HE2 GLN 16 2HE2 GLN 16 -5.355 6.638 -10.077 124 H LYS 17 H LYS 17 -6.523 7.403 -14.688 125 HA LYS 17 HA LYS 17 -5.827 4.837 -13.656 126 1HB LYS 17 2HB LYS 17 -8.076 5.628 -15.529 127 2HB LYS 17 1HB LYS 17 -7.944 4.086 -14.685 128 1HG LYS 17 2HG LYS 17 -8.497 4.993 -12.648 129 2HG LYS 17 1HG LYS 17 -7.742 6.544 -13.013 130 1HD LYS 17 2HD LYS 17 -9.646 7.402 -13.918 131 2HD LYS 17 1HD LYS 17 -10.071 5.881 -14.706 132 1HE LYS 17 2HE LYS 17 -10.507 5.092 -12.212 133 2HE LYS 17 1HE LYS 17 -10.703 6.820 -11.932 134 1HZ LYS 17 1HZ LYS 17 -12.190 5.159 -13.892 135 2HZ LYS 17 2HZ LYS 17 -12.314 6.851 -13.780 136 3HZ LYS 17 3HZ LYS 17 -12.813 5.871 -12.485 137 H ASN 18 H ASN 18 -5.852 6.284 -16.888 138 HA ASN 18 HA ASN 18 -5.373 3.911 -18.368 139 1HB ASN 18 2HB ASN 18 -4.909 6.830 -18.955 140 2HB ASN 18 1HB ASN 18 -4.433 5.572 -20.096 141 1HD2 ASN 18 1HD2 ASN 18 -6.888 7.675 -19.644 142 2HD2 ASN 18 2HD2 ASN 18 -8.194 6.749 -20.205 143 H GLU 19 H GLU 19 -3.211 6.118 -16.662 144 HA GLU 19 HA GLU 19 -0.752 5.444 -17.821 145 1HB GLU 19 2HB GLU 19 -1.015 5.833 -14.842 146 2HB GLU 19 1HB GLU 19 0.316 6.297 -15.898 147 1HG GLU 19 2HG GLU 19 -1.582 7.762 -17.051 148 2HG GLU 19 1HG GLU 19 -2.311 7.636 -15.450 149 H PHE 20 H PHE 20 -2.501 3.905 -15.150 150 HA PHE 20 HA PHE 20 -0.545 1.747 -14.968 151 1HB PHE 20 2HB PHE 20 -3.011 2.508 -13.428 152 2HB PHE 20 1HB PHE 20 -2.261 0.930 -13.220 153 HD1 PHE 20 HD1 PHE 20 -1.927 4.539 -12.660 154 HD2 PHE 20 HD2 PHE 20 0.045 0.727 -12.352 155 HE1 PHE 20 HE1 PHE 20 -0.241 5.526 -11.130 156 HE2 PHE 20 HE2 PHE 20 1.720 1.715 -10.819 157 HZ PHE 20 HZ PHE 20 1.581 4.117 -10.211 158 H LYS 21 H LYS 21 -3.989 2.148 -15.793 159 HA LYS 21 HA LYS 21 -4.704 -0.488 -16.233 160 1HB LYS 21 2HB LYS 21 -6.279 1.418 -16.293 161 2HB LYS 21 1HB LYS 21 -5.625 1.891 -17.860 162 1HG LYS 21 2HG LYS 21 -6.436 -0.945 -17.672 163 2HG LYS 21 1HG LYS 21 -7.761 0.209 -17.520 164 1HD LYS 21 2HD LYS 21 -6.472 1.324 -19.604 165 2HD LYS 21 1HD LYS 21 -6.000 -0.356 -19.854 166 1HE LYS 21 2HE LYS 21 -8.002 -0.335 -21.015 167 2HE LYS 21 1HE LYS 21 -8.588 -0.787 -19.415 168 1HZ LYS 21 1HZ LYS 21 -8.489 1.980 -20.493 169 2HZ LYS 21 2HZ LYS 21 -9.081 1.527 -18.966 170 3HZ LYS 21 3HZ LYS 21 -9.883 1.021 -20.376 171 H ALA 22 H ALA 22 -2.835 1.641 -18.354 172 HA ALA 22 HA ALA 22 -2.992 0.125 -20.727 173 1HB ALA 22 1HB ALA 22 -0.698 1.811 -19.687 174 2HB ALA 22 2HB ALA 22 -2.023 2.374 -20.706 175 3HB ALA 22 3HB ALA 22 -0.852 1.219 -21.341 176 H ALA 23 H ALA 23 -0.448 0.122 -18.223 177 HA ALA 23 HA ALA 23 0.932 -2.151 -19.236 178 1HB ALA 23 1HB ALA 23 2.057 -2.167 -17.021 179 2HB ALA 23 2HB ALA 23 0.910 -0.955 -16.445 180 3HB ALA 23 3HB ALA 23 2.042 -0.556 -17.740 181 H PHE 24 H PHE 24 -1.617 -1.672 -16.862 182 HA PHE 24 HA PHE 24 -1.686 -4.255 -15.742 183 1HB PHE 24 2HB PHE 24 -2.890 -2.086 -14.997 184 2HB PHE 24 1HB PHE 24 -4.141 -2.554 -16.147 185 HD1 PHE 24 HD1 PHE 24 -5.235 -4.833 -15.909 186 HD2 PHE 24 HD2 PHE 24 -2.722 -3.132 -12.874 187 HE1 PHE 24 HE1 PHE 24 -6.176 -6.407 -14.244 188 HE2 PHE 24 HE2 PHE 24 -3.665 -4.703 -11.210 189 HZ PHE 24 HZ PHE 24 -5.396 -6.337 -11.895 190 H ASP 25 H ASP 25 -3.444 -2.873 -18.527 191 HA ASP 25 HA ASP 25 -5.026 -5.167 -19.068 192 1HB ASP 25 2HB ASP 25 -4.872 -2.583 -20.069 193 2HB ASP 25 1HB ASP 25 -4.408 -3.589 -21.438 194 H ILE 26 H ILE 26 -1.814 -4.203 -20.240 195 HA ILE 26 HA ILE 26 -1.698 -6.262 -22.246 196 HB ILE 26 HB ILE 26 0.718 -5.678 -22.402 197 1HG1 ILE 26 2HG1 ILE 26 0.081 -3.608 -20.278 198 2HG1 ILE 26 1HG1 ILE 26 0.942 -5.107 -19.939 199 1HG2 ILE 26 1HG2 ILE 26 -1.192 -3.322 -22.323 200 2HG2 ILE 26 2HG2 ILE 26 -0.992 -4.435 -23.677 201 3HG2 ILE 26 3HG2 ILE 26 0.336 -3.376 -23.203 202 1HD1 ILE 26 1HD1 ILE 26 2.046 -2.683 -20.861 203 2HD1 ILE 26 2HD1 ILE 26 2.111 -3.790 -22.233 204 3HD1 ILE 26 3HD1 ILE 26 2.867 -4.236 -20.703 205 H PHE 27 H PHE 27 -0.615 -6.013 -18.885 206 HA PHE 27 HA PHE 27 0.840 -8.508 -18.988 207 1HB PHE 27 2HB PHE 27 0.022 -6.779 -16.641 208 2HB PHE 27 1HB PHE 27 1.038 -8.216 -16.518 209 HD1 PHE 27 HD1 PHE 27 2.719 -8.055 -18.918 210 HD2 PHE 27 HD2 PHE 27 1.445 -4.930 -16.255 211 HE1 PHE 27 HE1 PHE 27 4.689 -6.700 -19.567 212 HE2 PHE 27 HE2 PHE 27 3.419 -3.575 -16.915 213 HZ PHE 27 HZ PHE 27 5.037 -4.463 -18.566 214 H ILE 28 H ILE 28 -2.402 -7.492 -17.979 215 HA ILE 28 HA ILE 28 -2.993 -10.239 -17.098 216 HB ILE 28 HB ILE 28 -5.005 -9.417 -16.122 217 1HG1 ILE 28 2HG1 ILE 28 -5.214 -6.708 -16.510 218 2HG1 ILE 28 1HG1 ILE 28 -4.645 -7.241 -18.090 219 1HG2 ILE 28 1HG2 ILE 28 -2.944 -8.873 -14.880 220 2HG2 ILE 28 2HG2 ILE 28 -4.186 -7.647 -14.627 221 3HG2 ILE 28 3HG2 ILE 28 -2.844 -7.328 -15.725 222 1HD1 ILE 28 1HD1 ILE 28 -6.856 -8.765 -16.756 223 2HD1 ILE 28 2HD1 ILE 28 -6.523 -8.555 -18.476 224 3HD1 ILE 28 3HD1 ILE 28 -7.229 -7.232 -17.548 225 H GLN 29 H GLN 29 -2.852 -8.808 -19.992 226 HA GLN 29 HA GLN 29 -5.266 -9.013 -21.308 227 1HB GLN 29 2HB GLN 29 -3.253 -8.196 -22.413 228 2HB GLN 29 1HB GLN 29 -2.518 -9.796 -22.316 229 1HG GLN 29 2HG GLN 29 -4.124 -10.723 -23.831 230 2HG GLN 29 1HG GLN 29 -5.131 -9.277 -23.752 231 1HE2 GLN 29 1HE2 GLN 29 -4.019 -7.199 -24.588 232 2HE2 GLN 29 2HE2 GLN 29 -2.946 -7.364 -25.892 233 H ASP 30 H ASP 30 -3.008 -11.609 -20.487 234 HA ASP 30 HA ASP 30 -4.939 -13.603 -21.503 235 1HB ASP 30 2HB ASP 30 -3.031 -15.195 -21.443 236 2HB ASP 30 1HB ASP 30 -2.736 -13.822 -22.509 237 H ALA 31 H ALA 31 -4.861 -12.131 -18.797 238 HA ALA 31 HA ALA 31 -4.554 -14.428 -16.990 239 1HB ALA 31 1HB ALA 31 -3.495 -12.247 -16.369 240 2HB ALA 31 2HB ALA 31 -4.654 -12.842 -15.177 241 3HB ALA 31 3HB ALA 31 -5.109 -11.543 -16.279 242 H GLU 32 H GLU 32 -6.196 -15.090 -15.626 243 HA GLU 32 HA GLU 32 -8.925 -14.238 -16.405 244 1HB GLU 32 2HB GLU 32 -7.990 -16.977 -15.499 245 2HB GLU 32 1HB GLU 32 -9.660 -16.534 -15.853 246 1HG GLU 32 2HG GLU 32 -8.871 -15.861 -18.176 247 2HG GLU 32 1HG GLU 32 -7.330 -16.626 -17.786 248 H ASP 33 H ASP 33 -7.569 -12.844 -14.455 249 HA ASP 33 HA ASP 33 -9.118 -13.542 -12.051 250 1HB ASP 33 2HB ASP 33 -6.146 -12.986 -12.111 251 2HB ASP 33 1HB ASP 33 -7.118 -12.943 -10.640 252 H GLY 34 H GLY 34 -6.857 -11.135 -13.411 253 1HA GLY 34 2HA GLY 34 -7.593 -8.875 -13.902 254 2HA GLY 34 1HA GLY 34 -8.712 -8.995 -12.545 255 H CYS 35 H CYS 35 -5.280 -9.873 -12.785 256 HA CYS 35 HA CYS 35 -4.403 -7.634 -11.169 257 1HB CYS 35 2HB CYS 35 -3.460 -9.091 -9.364 258 2HB CYS 35 1HB CYS 35 -5.221 -9.023 -9.371 259 HG CYS 35 HG CYS 35 -3.637 -11.446 -10.570 260 H ILE 36 H ILE 36 -2.161 -7.357 -11.209 261 HA ILE 36 HA ILE 36 -0.788 -8.997 -13.229 262 HB ILE 36 HB ILE 36 0.799 -7.225 -13.447 263 1HG1 ILE 36 2HG1 ILE 36 0.044 -5.176 -11.710 264 2HG1 ILE 36 1HG1 ILE 36 -0.036 -6.625 -10.706 265 1HG2 ILE 36 1HG2 ILE 36 -2.002 -6.137 -13.073 266 2HG2 ILE 36 2HG2 ILE 36 -1.274 -6.718 -14.569 267 3HG2 ILE 36 3HG2 ILE 36 -0.693 -5.228 -13.826 268 1HD1 ILE 36 1HD1 ILE 36 2.283 -5.203 -11.406 269 2HD1 ILE 36 2HD1 ILE 36 2.331 -6.663 -12.395 270 3HD1 ILE 36 3HD1 ILE 36 2.216 -6.791 -10.639 271 H SER 37 H SER 37 1.686 -9.193 -12.749 272 HA SER 37 HA SER 37 1.891 -10.618 -10.204 273 1HB SER 37 2HB SER 37 2.857 -11.210 -12.687 274 2HB SER 37 1HB SER 37 4.270 -10.465 -11.947 275 HG SER 37 HG SER 37 3.969 -11.919 -10.182 276 H THR 38 H THR 38 2.399 -9.417 -8.479 277 HA THR 38 HA THR 38 3.593 -6.886 -8.507 278 HB THR 38 HB THR 38 2.382 -7.650 -6.545 279 HG1 THR 38 HG1 THR 38 5.136 -7.277 -5.982 280 1HG2 THR 38 1HG2 THR 38 3.492 -10.064 -6.868 281 2HG2 THR 38 2HG2 THR 38 2.886 -9.518 -5.305 282 3HG2 THR 38 3HG2 THR 38 4.610 -9.425 -5.663 283 H LYS 39 H LYS 39 5.082 -10.099 -8.157 284 HA LYS 39 HA LYS 39 7.715 -9.163 -7.651 285 1HB LYS 39 2HB LYS 39 8.433 -11.449 -8.394 286 2HB LYS 39 1HB LYS 39 7.199 -11.456 -7.136 287 1HG LYS 39 2HG LYS 39 5.960 -11.403 -9.756 288 2HG LYS 39 1HG LYS 39 7.077 -12.761 -9.628 289 1HD LYS 39 2HD LYS 39 5.911 -13.036 -7.247 290 2HD LYS 39 1HD LYS 39 4.592 -12.196 -8.062 291 1HE LYS 39 2HE LYS 39 4.000 -14.108 -9.086 292 2HE LYS 39 1HE LYS 39 5.589 -14.195 -9.846 293 1HZ LYS 39 1HZ LYS 39 6.446 -15.314 -7.910 294 2HZ LYS 39 2HZ LYS 39 5.087 -16.152 -8.488 295 3HZ LYS 39 3HZ LYS 39 4.958 -15.167 -7.110 296 H GLU 40 H GLU 40 5.816 -9.410 -10.554 297 HA GLU 40 HA GLU 40 8.204 -8.822 -12.201 298 1HB GLU 40 2HB GLU 40 5.476 -9.727 -13.161 299 2HB GLU 40 1HB GLU 40 6.946 -9.583 -14.122 300 1HG GLU 40 2HG GLU 40 6.589 -11.471 -11.772 301 2HG GLU 40 1HG GLU 40 6.483 -11.939 -13.468 302 H LEU 41 H LEU 41 6.694 -6.916 -10.473 303 HA LEU 41 HA LEU 41 5.058 -5.265 -12.124 304 1HB LEU 41 2HB LEU 41 5.218 -5.361 -9.543 305 2HB LEU 41 1HB LEU 41 6.557 -4.250 -9.737 306 HG LEU 41 HG LEU 41 4.148 -3.438 -11.203 307 1HD1 LEU 41 1HD1 LEU 41 2.818 -4.232 -9.463 308 2HD1 LEU 41 2HD1 LEU 41 3.195 -2.605 -8.898 309 3HD1 LEU 41 3HD1 LEU 41 4.076 -3.989 -8.253 310 1HD2 LEU 41 1HD2 LEU 41 6.142 -2.215 -9.292 311 2HD2 LEU 41 2HD2 LEU 41 4.711 -1.327 -9.816 312 3HD2 LEU 41 3HD2 LEU 41 5.899 -1.861 -11.004 313 H GLY 42 H GLY 42 8.479 -5.649 -11.890 314 1HA GLY 42 2HA GLY 42 9.436 -3.092 -12.501 315 2HA GLY 42 1HA GLY 42 10.210 -4.598 -12.989 316 H LYS 43 H LYS 43 7.833 -5.489 -14.505 317 HA LYS 43 HA LYS 43 8.481 -4.373 -17.050 318 1HB LYS 43 2HB LYS 43 6.102 -6.080 -16.276 319 2HB LYS 43 1HB LYS 43 6.687 -5.790 -17.914 320 1HG LYS 43 2HG LYS 43 8.849 -6.847 -17.320 321 2HG LYS 43 1HG LYS 43 8.236 -7.167 -15.697 322 1HD LYS 43 2HD LYS 43 7.651 -9.174 -16.639 323 2HD LYS 43 1HD LYS 43 6.232 -8.257 -17.145 324 1HE LYS 43 2HE LYS 43 6.890 -9.134 -19.186 325 2HE LYS 43 1HE LYS 43 7.793 -7.620 -19.199 326 1HZ LYS 43 1HZ LYS 43 8.824 -10.277 -18.359 327 2HZ LYS 43 2HZ LYS 43 9.699 -8.822 -18.268 328 3HZ LYS 43 3HZ LYS 43 9.232 -9.443 -19.779 329 H VAL 44 H VAL 44 6.163 -3.527 -14.594 330 HA VAL 44 HA VAL 44 4.591 -1.904 -16.461 331 HB VAL 44 HB VAL 44 2.904 -1.815 -14.920 332 1HG1 VAL 44 1HG1 VAL 44 2.579 -4.010 -14.633 333 2HG1 VAL 44 2HG1 VAL 44 3.656 -3.989 -13.237 334 3HG1 VAL 44 3HG1 VAL 44 4.302 -4.309 -14.845 335 1HG2 VAL 44 1HG2 VAL 44 3.417 -2.049 -12.380 336 2HG2 VAL 44 2HG2 VAL 44 3.826 -0.535 -13.183 337 3HG2 VAL 44 3HG2 VAL 44 5.085 -1.721 -12.845 338 H MET 45 H MET 45 6.932 -1.619 -13.848 339 HA MET 45 HA MET 45 6.753 1.141 -13.354 340 1HB MET 45 2HB MET 45 9.011 -0.842 -13.138 341 2HB MET 45 1HB MET 45 9.277 0.870 -12.813 342 1HG MET 45 2HG MET 45 6.976 -0.552 -11.505 343 2HG MET 45 1HG MET 45 8.600 -0.717 -10.839 344 1HE MET 45 1HE MET 45 8.338 0.946 -8.381 345 2HE MET 45 2HE MET 45 7.055 -0.080 -9.018 346 3HE MET 45 3HE MET 45 6.687 1.567 -8.509 347 H ARG 46 H ARG 46 8.587 -0.705 -15.775 348 HA ARG 46 HA ARG 46 9.963 1.506 -16.914 349 1HB ARG 46 2HB ARG 46 10.290 0.026 -18.886 350 2HB ARG 46 1HB ARG 46 10.710 -0.760 -17.366 351 1HG ARG 46 2HG ARG 46 8.756 -2.085 -17.368 352 2HG ARG 46 1HG ARG 46 7.953 -1.056 -18.551 353 1HD ARG 46 2HD ARG 46 8.594 -2.794 -19.922 354 2HD ARG 46 1HD ARG 46 10.008 -1.758 -20.069 355 HE ARG 46 HE ARG 46 10.639 -3.366 -17.959 356 1HH1 ARG 46 2HH1 ARG 46 9.491 -3.958 -21.205 357 2HH1 ARG 46 1HH1 ARG 46 10.272 -5.497 -21.335 358 1HH2 ARG 46 1HH2 ARG 46 11.654 -5.389 -18.153 359 2HH2 ARG 46 2HH2 ARG 46 11.493 -6.305 -19.614 360 H MET 47 H MET 47 6.756 0.158 -17.427 361 HA MET 47 HA MET 47 6.146 1.649 -19.806 362 1HB MET 47 2HB MET 47 4.722 -0.165 -17.968 363 2HB MET 47 1HB MET 47 3.711 1.096 -18.668 364 1HG MET 47 2HG MET 47 3.706 -0.896 -20.103 365 2HG MET 47 1HG MET 47 4.488 0.451 -20.931 366 1HE MET 47 1HE MET 47 6.598 0.776 -21.484 367 2HE MET 47 2HE MET 47 6.426 -0.593 -22.580 368 3HE MET 47 3HE MET 47 7.893 -0.421 -21.621 369 H LEU 48 H LEU 48 5.813 2.169 -16.343 370 HA LEU 48 HA LEU 48 4.158 4.518 -16.544 371 1HB LEU 48 2HB LEU 48 5.611 3.083 -14.375 372 2HB LEU 48 1HB LEU 48 5.168 4.751 -14.098 373 HG LEU 48 HG LEU 48 2.875 4.267 -14.090 374 1HD1 LEU 48 1HD1 LEU 48 2.419 3.071 -16.041 375 2HD1 LEU 48 2HD1 LEU 48 2.161 1.833 -14.811 376 3HD1 LEU 48 3HD1 LEU 48 3.671 1.872 -15.720 377 1HD2 LEU 48 1HD2 LEU 48 2.926 1.810 -12.892 378 2HD2 LEU 48 2HD2 LEU 48 3.358 3.312 -12.076 379 3HD2 LEU 48 3HD2 LEU 48 4.619 2.284 -12.754 380 H GLY 49 H GLY 49 7.598 3.837 -16.450 381 1HA GLY 49 2HA GLY 49 9.036 5.522 -17.563 382 2HA GLY 49 1HA GLY 49 8.170 6.741 -16.636 383 H GLN 50 H GLN 50 9.125 3.644 -15.264 384 HA GLN 50 HA GLN 50 11.312 4.940 -13.756 385 1HB GLN 50 2HB GLN 50 9.375 2.993 -12.490 386 2HB GLN 50 1HB GLN 50 10.592 3.983 -11.690 387 1HG GLN 50 2HG GLN 50 8.236 5.146 -13.203 388 2HG GLN 50 1HG GLN 50 8.218 4.838 -11.468 389 1HE2 GLN 50 1HE2 GLN 50 8.349 7.426 -13.273 390 2HE2 GLN 50 2HE2 GLN 50 9.567 8.337 -12.519 391 H ASN 51 H ASN 51 12.726 3.269 -12.665 392 HA ASN 51 HA ASN 51 12.666 0.605 -13.854 393 1HB ASN 51 2HB ASN 51 13.973 2.347 -15.359 394 2HB ASN 51 1HB ASN 51 15.251 2.078 -14.174 395 1HD2 ASN 51 1HD2 ASN 51 14.738 1.123 -17.131 396 2HD2 ASN 51 2HD2 ASN 51 15.090 -0.535 -17.051 397 HA PRO 52 HA PRO 52 14.581 0.794 -9.629 398 1HB PRO 52 2HB PRO 52 12.562 -0.432 -8.251 399 2HB PRO 52 1HB PRO 52 12.631 1.314 -8.531 400 1HG PRO 52 2HG PRO 52 10.871 -0.713 -9.750 401 2HG PRO 52 1HG PRO 52 10.624 1.031 -9.569 402 1HD PRO 52 2HD PRO 52 11.451 -0.361 -11.933 403 2HD PRO 52 1HD PRO 52 11.333 1.400 -11.706 404 H THR 53 H THR 53 14.149 -1.411 -7.956 405 HA THR 53 HA THR 53 15.073 -3.666 -9.639 406 HB THR 53 HB THR 53 16.449 -4.370 -7.877 407 HG1 THR 53 HG1 THR 53 16.099 -3.396 -5.724 408 1HG2 THR 53 1HG2 THR 53 16.300 -1.366 -7.543 409 2HG2 THR 53 2HG2 THR 53 17.244 -2.216 -8.770 410 3HG2 THR 53 3HG2 THR 53 17.653 -2.391 -7.063 411 HA PRO 54 HA PRO 54 11.639 -6.065 -8.268 412 1HB PRO 54 2HB PRO 54 12.719 -8.491 -7.587 413 2HB PRO 54 1HB PRO 54 12.515 -7.928 -9.254 414 1HG PRO 54 2HG PRO 54 14.983 -8.091 -7.607 415 2HG PRO 54 1HG PRO 54 14.783 -8.236 -9.360 416 1HD PRO 54 2HD PRO 54 15.721 -5.962 -8.021 417 2HD PRO 54 1HD PRO 54 15.104 -5.987 -9.689 418 H GLU 55 H GLU 55 14.347 -5.944 -6.017 419 HA GLU 55 HA GLU 55 12.737 -6.749 -3.735 420 1HB GLU 55 2HB GLU 55 14.746 -6.246 -2.397 421 2HB GLU 55 1HB GLU 55 15.120 -7.320 -3.741 422 1HG GLU 55 2HG GLU 55 16.016 -5.462 -5.038 423 2HG GLU 55 1HG GLU 55 15.529 -4.314 -3.790 424 H GLU 56 H GLU 56 13.768 -3.778 -5.305 425 HA GLU 56 HA GLU 56 13.120 -2.011 -3.144 426 1HB GLU 56 2HB GLU 56 14.583 -1.586 -5.285 427 2HB GLU 56 1HB GLU 56 13.040 -1.150 -6.019 428 1HG GLU 56 2HG GLU 56 13.692 0.909 -5.171 429 2HG GLU 56 1HG GLU 56 12.763 0.285 -3.807 430 H LEU 57 H LEU 57 11.462 -2.816 -6.214 431 HA LEU 57 HA LEU 57 9.116 -1.340 -5.706 432 1HB LEU 57 2HB LEU 57 8.127 -2.547 -7.503 433 2HB LEU 57 1HB LEU 57 9.795 -2.242 -7.920 434 HG LEU 57 HG LEU 57 10.131 -4.689 -6.940 435 1HD1 LEU 57 1HD1 LEU 57 8.130 -5.573 -6.311 436 2HD1 LEU 57 2HD1 LEU 57 7.858 -5.786 -8.039 437 3HD1 LEU 57 3HD1 LEU 57 7.214 -4.368 -7.215 438 1HD2 LEU 57 1HD2 LEU 57 9.845 -5.538 -9.241 439 2HD2 LEU 57 2HD2 LEU 57 10.612 -3.950 -9.252 440 3HD2 LEU 57 3HD2 LEU 57 8.902 -4.105 -9.655 441 H GLN 58 H GLN 58 10.096 -4.597 -4.755 442 HA GLN 58 HA GLN 58 7.596 -5.620 -3.987 443 1HB GLN 58 2HB GLN 58 10.419 -6.256 -3.372 444 2HB GLN 58 1HB GLN 58 9.240 -6.798 -2.178 445 1HG GLN 58 2HG GLN 58 8.797 -7.296 -5.119 446 2HG GLN 58 1HG GLN 58 9.790 -8.389 -4.157 447 1HE2 GLN 58 1HE2 GLN 58 6.486 -7.097 -4.509 448 2HE2 GLN 58 2HE2 GLN 58 5.739 -8.307 -3.585 449 H GLU 59 H GLU 59 9.895 -3.586 -2.207 450 HA GLU 59 HA GLU 59 8.567 -3.711 0.306 451 1HB GLU 59 2HB GLU 59 10.390 -1.580 -0.839 452 2HB GLU 59 1HB GLU 59 9.861 -1.647 0.841 453 1HG GLU 59 2HG GLU 59 11.253 -3.976 -0.495 454 2HG GLU 59 1HG GLU 59 12.148 -2.693 0.320 455 H MET 60 H MET 60 8.189 -1.620 -2.516 456 HA MET 60 HA MET 60 6.388 0.215 -1.224 457 1HB MET 60 2HB MET 60 6.744 -0.240 -4.193 458 2HB MET 60 1HB MET 60 6.056 1.183 -3.412 459 1HG MET 60 2HG MET 60 8.901 0.227 -2.984 460 2HG MET 60 1HG MET 60 8.447 1.482 -4.135 461 1HE MET 60 1HE MET 60 10.231 0.978 -1.634 462 2HE MET 60 2HE MET 60 9.284 0.965 -0.149 463 3HE MET 60 3HE MET 60 10.215 2.397 -0.579 464 H ILE 61 H ILE 61 6.040 -2.570 -3.378 465 HA ILE 61 HA ILE 61 3.208 -2.376 -3.653 466 HB ILE 61 HB ILE 61 5.034 -4.762 -4.017 467 1HG1 ILE 61 2HG1 ILE 61 5.539 -2.973 -5.594 468 2HG1 ILE 61 1HG1 ILE 61 4.661 -4.240 -6.446 469 1HG2 ILE 61 1HG2 ILE 61 3.052 -5.880 -3.934 470 2HG2 ILE 61 2HG2 ILE 61 2.827 -5.224 -5.556 471 3HG2 ILE 61 3HG2 ILE 61 2.099 -4.416 -4.168 472 1HD1 ILE 61 1HD1 ILE 61 3.719 -2.104 -7.093 473 2HD1 ILE 61 2HD1 ILE 61 3.529 -1.627 -5.407 474 3HD1 ILE 61 3HD1 ILE 61 2.545 -2.931 -6.071 475 H ASP 62 H ASP 62 5.283 -4.406 -1.569 476 HA ASP 62 HA ASP 62 3.318 -5.868 -0.258 477 1HB ASP 62 2HB ASP 62 5.977 -5.792 -0.004 478 2HB ASP 62 1HB ASP 62 5.561 -4.821 1.407 479 H GLU 63 H GLU 63 4.368 -2.539 0.298 480 HA GLU 63 HA GLU 63 2.923 -2.122 2.727 481 1HB GLU 63 2HB GLU 63 4.253 -0.360 0.709 482 2HB GLU 63 1HB GLU 63 3.125 0.371 1.850 483 1HG GLU 63 2HG GLU 63 4.394 -0.660 3.725 484 2HG GLU 63 1HG GLU 63 5.553 -1.303 2.562 485 H VAL 64 H VAL 64 2.202 -1.351 -0.689 486 HA VAL 64 HA VAL 64 -0.384 -0.252 -0.081 487 HB VAL 64 HB VAL 64 0.849 0.517 -2.046 488 1HG1 VAL 64 1HG1 VAL 64 0.960 -1.019 -4.046 489 2HG1 VAL 64 2HG1 VAL 64 0.505 -2.345 -2.974 490 3HG1 VAL 64 3HG1 VAL 64 2.017 -1.478 -2.711 491 1HG2 VAL 64 1HG2 VAL 64 -0.989 0.612 -3.532 492 2HG2 VAL 64 2HG2 VAL 64 -1.728 0.379 -1.948 493 3HG2 VAL 64 3HG2 VAL 64 -1.569 -0.984 -3.055 494 H ASP 65 H ASP 65 0.793 -3.449 -0.948 495 HA ASP 65 HA ASP 65 -1.765 -4.525 -1.665 496 1HB ASP 65 2HB ASP 65 0.885 -5.414 -1.803 497 2HB ASP 65 1HB ASP 65 0.116 -6.500 -0.654 498 H GLU 66 H GLU 66 -3.299 -4.259 -0.144 499 HA GLU 66 HA GLU 66 -2.939 -4.446 2.652 500 1HB GLU 66 2HB GLU 66 -5.466 -4.763 2.687 501 2HB GLU 66 1HB GLU 66 -4.876 -3.300 1.905 502 1HG GLU 66 2HG GLU 66 -5.637 -3.942 -0.139 503 2HG GLU 66 1HG GLU 66 -5.123 -5.611 0.090 504 H ASP 67 H ASP 67 -3.745 -6.874 0.233 505 HA ASP 67 HA ASP 67 -4.146 -8.913 2.300 506 1HB ASP 67 2HB ASP 67 -4.559 -10.396 0.230 507 2HB ASP 67 1HB ASP 67 -5.759 -9.162 0.610 508 H GLY 68 H GLY 68 -1.897 -8.071 -0.296 509 1HA GLY 68 2HA GLY 68 0.289 -8.722 -0.663 510 2HA GLY 68 1HA GLY 68 0.273 -9.465 0.936 511 H SER 69 H SER 69 -1.632 -10.036 -2.021 512 HA SER 69 HA SER 69 -1.339 -12.912 -1.686 513 1HB SER 69 2HB SER 69 -2.911 -13.032 -3.616 514 2HB SER 69 1HB SER 69 -3.535 -12.079 -2.274 515 HG SER 69 HG SER 69 -2.619 -11.276 -4.797 516 H GLY 70 H GLY 70 0.790 -10.812 -2.894 517 1HA GLY 70 2HA GLY 70 2.617 -11.109 -4.279 518 2HA GLY 70 1HA GLY 70 2.037 -12.736 -4.622 519 H THR 71 H THR 71 -0.093 -10.025 -5.050 520 HA THR 71 HA THR 71 0.428 -9.766 -7.907 521 HB THR 71 HB THR 71 -1.788 -10.380 -8.618 522 HG1 THR 71 HG1 THR 71 -3.392 -10.461 -7.269 523 1HG2 THR 71 1HG2 THR 71 -0.197 -12.253 -8.325 524 2HG2 THR 71 2HG2 THR 71 -1.860 -12.764 -8.039 525 3HG2 THR 71 3HG2 THR 71 -0.779 -12.474 -6.674 526 H VAL 72 H VAL 72 -0.466 -7.875 -8.795 527 HA VAL 72 HA VAL 72 -1.549 -5.989 -6.785 528 HB VAL 72 HB VAL 72 -0.215 -5.236 -9.387 529 1HG1 VAL 72 1HG1 VAL 72 -0.105 -3.035 -8.408 530 2HG1 VAL 72 2HG1 VAL 72 -0.647 -3.645 -6.844 531 3HG1 VAL 72 3HG1 VAL 72 -1.761 -3.610 -8.212 532 1HG2 VAL 72 1HG2 VAL 72 1.573 -6.239 -8.248 533 2HG2 VAL 72 2HG2 VAL 72 0.935 -5.802 -6.663 534 3HG2 VAL 72 3HG2 VAL 72 1.673 -4.570 -7.688 535 H ASP 73 H ASP 73 -3.603 -5.508 -6.993 536 HA ASP 73 HA ASP 73 -5.045 -6.098 -9.469 537 1HB ASP 73 2HB ASP 73 -5.978 -5.065 -6.772 538 2HB ASP 73 1HB ASP 73 -7.047 -5.385 -8.138 539 H PHE 74 H PHE 74 -6.594 -4.360 -10.290 540 HA PHE 74 HA PHE 74 -5.139 -2.084 -11.044 541 1HB PHE 74 2HB PHE 74 -7.232 -3.037 -12.167 542 2HB PHE 74 1HB PHE 74 -8.152 -2.122 -10.972 543 HD1 PHE 74 HD1 PHE 74 -4.965 -1.337 -12.769 544 HD2 PHE 74 HD2 PHE 74 -9.065 -0.267 -12.081 545 HE1 PHE 74 HE1 PHE 74 -4.658 0.708 -14.121 546 HE2 PHE 74 HE2 PHE 74 -8.757 1.784 -13.436 547 HZ PHE 74 HZ PHE 74 -6.555 2.272 -14.461 548 H ASP 75 H ASP 75 -7.236 -2.641 -8.274 549 HA ASP 75 HA ASP 75 -7.498 0.097 -7.490 550 1HB ASP 75 2HB ASP 75 -8.857 -1.983 -6.687 551 2HB ASP 75 1HB ASP 75 -7.544 -2.182 -5.526 552 H GLU 76 H GLU 76 -5.285 -2.539 -6.584 553 HA GLU 76 HA GLU 76 -3.750 -0.966 -4.734 554 1HB GLU 76 2HB GLU 76 -2.937 -3.521 -6.151 555 2HB GLU 76 1HB GLU 76 -2.212 -2.849 -4.691 556 1HG GLU 76 2HG GLU 76 -4.282 -3.178 -3.449 557 2HG GLU 76 1HG GLU 76 -5.117 -3.703 -4.908 558 H PHE 77 H PHE 77 -3.742 -1.444 -8.169 559 HA PHE 77 HA PHE 77 -1.059 -0.674 -8.736 560 1HB PHE 77 2HB PHE 77 -3.073 -1.789 -10.182 561 2HB PHE 77 1HB PHE 77 -3.180 -0.126 -10.737 562 HD1 PHE 77 HD1 PHE 77 -2.598 -0.984 -12.984 563 HD2 PHE 77 HD2 PHE 77 0.140 -1.294 -9.676 564 HE1 PHE 77 HE1 PHE 77 -0.733 -1.399 -14.555 565 HE2 PHE 77 HE2 PHE 77 1.996 -1.700 -11.258 566 HZ PHE 77 HZ PHE 77 1.562 -1.758 -13.698 567 H LEU 78 H LEU 78 -4.163 1.068 -9.010 568 HA LEU 78 HA LEU 78 -2.980 3.586 -9.654 569 1HB LEU 78 2HB LEU 78 -5.702 2.638 -8.902 570 2HB LEU 78 1HB LEU 78 -5.361 4.353 -8.755 571 HG LEU 78 HG LEU 78 -4.979 4.566 -11.100 572 1HD1 LEU 78 1HD1 LEU 78 -5.170 1.550 -11.311 573 2HD1 LEU 78 2HD1 LEU 78 -3.655 2.452 -11.323 574 3HD1 LEU 78 3HD1 LEU 78 -4.825 2.681 -12.619 575 1HD2 LEU 78 1HD2 LEU 78 -7.338 4.450 -10.545 576 2HD2 LEU 78 2HD2 LEU 78 -7.295 2.686 -10.558 577 3HD2 LEU 78 3HD2 LEU 78 -7.084 3.586 -12.061 578 H VAL 79 H VAL 79 -3.894 2.022 -6.635 579 HA VAL 79 HA VAL 79 -3.798 4.286 -4.942 580 HB VAL 79 HB VAL 79 -3.577 1.326 -4.547 581 1HG1 VAL 79 1HG1 VAL 79 -3.212 1.664 -2.128 582 2HG1 VAL 79 2HG1 VAL 79 -2.990 3.393 -2.406 583 3HG1 VAL 79 3HG1 VAL 79 -1.837 2.234 -3.077 584 1HG2 VAL 79 1HG2 VAL 79 -5.286 3.370 -3.117 585 2HG2 VAL 79 2HG2 VAL 79 -5.574 1.638 -3.291 586 3HG2 VAL 79 3HG2 VAL 79 -5.739 2.704 -4.686 587 H MET 80 H MET 80 -1.326 1.863 -5.764 588 HA MET 80 HA MET 80 0.826 2.664 -4.284 589 1HB MET 80 2HB MET 80 0.454 0.985 -6.464 590 2HB MET 80 1HB MET 80 1.637 2.158 -7.037 591 1HG MET 80 2HG MET 80 2.132 1.217 -4.292 592 2HG MET 80 1HG MET 80 2.235 -0.052 -5.512 593 1HE MET 80 1HE MET 80 3.119 0.167 -7.576 594 2HE MET 80 2HE MET 80 4.842 -0.049 -7.279 595 3HE MET 80 3HE MET 80 4.284 1.345 -8.198 596 H MET 81 H MET 81 -0.545 4.368 -7.057 597 HA MET 81 HA MET 81 1.663 6.056 -7.629 598 1HB MET 81 2HB MET 81 -0.187 5.865 -9.204 599 2HB MET 81 1HB MET 81 -1.305 6.530 -8.017 600 1HG MET 81 2HG MET 81 -0.471 8.185 -9.756 601 2HG MET 81 1HG MET 81 -0.235 8.678 -8.081 602 1HE MET 81 1HE MET 81 1.135 7.206 -11.239 603 2HE MET 81 2HE MET 81 1.844 5.968 -10.204 604 3HE MET 81 3HE MET 81 2.891 7.109 -11.044 605 H VAL 82 H VAL 82 -1.306 6.710 -5.740 606 HA VAL 82 HA VAL 82 -0.377 9.193 -4.691 607 HB VAL 82 HB VAL 82 -2.244 9.010 -3.096 608 1HG1 VAL 82 1HG1 VAL 82 -2.805 9.849 -5.278 609 2HG1 VAL 82 2HG1 VAL 82 -4.075 8.711 -4.825 610 3HG1 VAL 82 3HG1 VAL 82 -2.819 8.223 -5.963 611 1HG2 VAL 82 1HG2 VAL 82 -1.960 6.500 -2.788 612 2HG2 VAL 82 2HG2 VAL 82 -2.799 6.301 -4.328 613 3HG2 VAL 82 3HG2 VAL 82 -3.625 7.054 -2.963 614 H ARG 83 H ARG 83 -0.059 5.853 -3.690 615 HA ARG 83 HA ARG 83 0.724 6.177 -1.013 616 1HB ARG 83 2HB ARG 83 1.407 4.103 -3.098 617 2HB ARG 83 1HB ARG 83 2.063 4.021 -1.464 618 1HG ARG 83 2HG ARG 83 -0.892 4.401 -1.838 619 2HG ARG 83 1HG ARG 83 -0.200 2.792 -2.030 620 1HD ARG 83 2HD ARG 83 1.016 3.637 0.275 621 2HD ARG 83 1HD ARG 83 -0.558 4.408 0.413 622 HE ARG 83 HE ARG 83 0.008 1.579 0.602 623 1HH1 ARG 83 2HH1 ARG 83 -2.407 3.975 -0.182 624 2HH1 ARG 83 1HH1 ARG 83 -3.739 2.946 0.213 625 1HH2 ARG 83 1HH2 ARG 83 -1.761 0.248 1.120 626 2HH2 ARG 83 2HH2 ARG 83 -3.376 0.842 0.942 627 H CYS 84 H CYS 84 2.570 6.355 -4.039 628 HA CYS 84 HA CYS 84 5.164 6.564 -2.955 629 1HB CYS 84 2HB CYS 84 4.398 6.344 -5.445 630 2HB CYS 84 1HB CYS 84 4.351 8.106 -5.405 631 HG CYS 84 HG CYS 84 6.799 6.908 -6.023 632 H MET 85 H MET 85 2.679 8.998 -3.623 633 HA MET 85 HA MET 85 4.231 11.283 -2.927 634 1HB MET 85 2HB MET 85 1.293 10.727 -3.213 635 2HB MET 85 1HB MET 85 1.836 12.254 -2.518 636 1HG MET 85 2HG MET 85 2.843 12.953 -4.494 637 2HG MET 85 1HG MET 85 3.075 11.306 -5.079 638 1HE MET 85 1HE MET 85 1.004 14.461 -5.778 639 2HE MET 85 2HE MET 85 0.631 13.657 -7.300 640 3HE MET 85 3HE MET 85 2.276 13.617 -6.671 641 H LYS 86 H LYS 86 1.788 9.384 -1.136 642 HA LYS 86 HA LYS 86 3.173 9.915 1.371 643 1HB LYS 86 2HB LYS 86 1.477 11.836 0.884 644 2HB LYS 86 1HB LYS 86 0.255 10.631 1.294 645 1HG LYS 86 2HG LYS 86 2.515 10.727 3.182 646 2HG LYS 86 1HG LYS 86 1.567 12.214 3.125 647 1HD LYS 86 2HD LYS 86 -0.083 9.780 3.137 648 2HD LYS 86 1HD LYS 86 0.904 9.964 4.586 649 1HE LYS 86 2HE LYS 86 -1.187 11.096 4.994 650 2HE LYS 86 1HE LYS 86 0.046 12.334 4.766 651 1HZ LYS 86 1HZ LYS 86 -1.523 11.375 2.462 652 2HZ LYS 86 2HZ LYS 86 -0.746 12.869 2.685 653 3HZ LYS 86 3HZ LYS 86 -2.188 12.525 3.515 654 H ASP 87 H ASP 87 3.122 8.130 2.564 655 HA ASP 87 HA ASP 87 0.771 6.449 2.725 656 1HB ASP 87 2HB ASP 87 1.738 4.428 1.861 657 2HB ASP 87 1HB ASP 87 1.917 5.667 0.623 658 H ASP 88 H ASP 88 2.239 7.989 4.613 659 HA ASP 88 HA ASP 88 3.054 5.840 6.453 660 1HB ASP 88 2HB ASP 88 4.897 7.391 7.301 661 2HB ASP 88 1HB ASP 88 5.184 6.610 5.750 662 H SER 89 HN SER 89 2.303 9.316 6.133 663 HA SER 89 HA SER 89 1.131 10.767 7.443 664 1HB SER 89 2HB SER 89 -0.856 10.024 8.335 665 2HB SER 89 1HB SER 89 -0.481 8.678 7.266 666 HG SER 89 HG SER 89 -0.176 7.444 8.955 Start of MODEL 39 1 1H MET 1 1H MET 1 -8.064 0.272 8.210 2 2H MET 1 2H MET 1 -8.221 1.269 6.843 3 3H MET 1 3H MET 1 -7.087 1.649 8.051 4 HA MET 1 HA MET 1 -5.865 -0.397 7.553 5 1HB MET 1 2HB MET 1 -8.216 -0.735 5.771 6 2HB MET 1 1HB MET 1 -6.657 -1.189 5.080 7 1HG MET 1 2HG MET 1 -6.284 -2.467 7.312 8 2HG MET 1 1HG MET 1 -8.028 -2.307 7.521 9 1HE MET 1 1HE MET 1 -5.664 -4.874 4.614 10 2HE MET 1 2HE MET 1 -5.136 -4.005 6.053 11 3HE MET 1 3HE MET 1 -5.455 -3.118 4.563 12 H ASN 2 H ASN 2 -7.329 1.429 4.831 13 HA ASN 2 HA ASN 2 -5.023 3.116 4.524 14 1HB ASN 2 2HB ASN 2 -4.718 2.217 2.059 15 2HB ASN 2 1HB ASN 2 -3.864 1.456 3.398 16 1HD2 ASN 2 1HD2 ASN 2 -6.928 1.140 1.513 17 2HD2 ASN 2 2HD2 ASN 2 -7.019 -0.547 1.675 18 H ASP 3 H ASP 3 -7.158 4.301 4.898 19 HA ASP 3 HA ASP 3 -8.791 4.609 2.491 20 1HB ASP 3 2HB ASP 3 -9.020 5.619 5.314 21 2HB ASP 3 1HB ASP 3 -9.992 6.318 4.019 22 H ILE 4 H ILE 4 -6.276 6.302 4.243 23 HA ILE 4 HA ILE 4 -6.648 8.880 3.150 24 HB ILE 4 HB ILE 4 -4.289 9.303 3.740 25 1HG1 ILE 4 2HG1 ILE 4 -3.417 7.083 5.097 26 2HG1 ILE 4 1HG1 ILE 4 -4.222 6.346 3.713 27 1HG2 ILE 4 1HG2 ILE 4 -6.220 9.214 5.432 28 2HG2 ILE 4 2HG2 ILE 4 -4.585 9.106 6.086 29 3HG2 ILE 4 3HG2 ILE 4 -5.566 7.650 5.921 30 1HD1 ILE 4 1HD1 ILE 4 -2.799 7.364 2.170 31 2HD1 ILE 4 2HD1 ILE 4 -1.700 7.049 3.513 32 3HD1 ILE 4 3HD1 ILE 4 -2.364 8.665 3.279 33 H TYR 5 H TYR 5 -5.058 6.007 1.897 34 HA TYR 5 HA TYR 5 -3.808 7.323 -0.342 35 1HB TYR 5 2HB TYR 5 -4.473 4.390 0.053 36 2HB TYR 5 1HB TYR 5 -3.425 5.048 -1.201 37 HD1 TYR 5 HD1 TYR 5 -1.317 6.324 -0.492 38 HD2 TYR 5 HD2 TYR 5 -3.648 3.940 2.220 39 HE1 TYR 5 HE1 TYR 5 0.595 6.231 1.071 40 HE2 TYR 5 HE2 TYR 5 -1.731 3.849 3.787 41 HH TYR 5 HH TYR 5 1.240 4.319 3.080 42 H LYS 6 H LYS 6 -6.862 5.703 0.305 43 HA LYS 6 HA LYS 6 -7.801 5.477 -2.361 44 1HB LYS 6 2HB LYS 6 -8.729 4.454 -0.132 45 2HB LYS 6 1HB LYS 6 -9.672 5.943 -0.064 46 1HG LYS 6 2HG LYS 6 -10.476 5.473 -2.394 47 2HG LYS 6 1HG LYS 6 -9.647 3.918 -2.321 48 1HD LYS 6 2HD LYS 6 -11.699 4.774 -0.269 49 2HD LYS 6 1HD LYS 6 -12.123 3.866 -1.721 50 1HE LYS 6 2HE LYS 6 -10.565 2.072 -1.062 51 2HE LYS 6 1HE LYS 6 -10.125 2.978 0.384 52 1HZ LYS 6 1HZ LYS 6 -12.847 1.987 -0.278 53 2HZ LYS 6 2HZ LYS 6 -12.426 2.865 1.115 54 3HZ LYS 6 3HZ LYS 6 -11.797 1.306 0.867 55 H ALA 7 H ALA 7 -7.621 8.171 -0.149 56 HA ALA 7 HA ALA 7 -9.622 9.867 -1.074 57 1HB ALA 7 1HB ALA 7 -8.458 11.624 -0.051 58 2HB ALA 7 2HB ALA 7 -6.883 10.918 -0.410 59 3HB ALA 7 3HB ALA 7 -7.902 10.209 0.843 60 H ALA 8 H ALA 8 -6.482 9.114 -2.497 61 HA ALA 8 HA ALA 8 -6.638 11.174 -4.522 62 1HB ALA 8 1HB ALA 8 -4.475 10.231 -3.649 63 2HB ALA 8 2HB ALA 8 -4.616 10.203 -5.407 64 3HB ALA 8 3HB ALA 8 -4.865 8.723 -4.479 65 H VAL 9 H VAL 9 -7.175 7.670 -4.360 66 HA VAL 9 HA VAL 9 -7.672 7.229 -7.111 67 HB VAL 9 HB VAL 9 -8.717 5.716 -4.700 68 1HG1 VAL 9 1HG1 VAL 9 -8.660 5.057 -7.657 69 2HG1 VAL 9 2HG1 VAL 9 -10.070 5.130 -6.600 70 3HG1 VAL 9 3HG1 VAL 9 -8.888 3.837 -6.402 71 1HG2 VAL 9 1HG2 VAL 9 -6.164 5.978 -5.142 72 2HG2 VAL 9 2HG2 VAL 9 -6.448 4.916 -6.521 73 3HG2 VAL 9 3HG2 VAL 9 -6.800 4.353 -4.888 74 H GLU 10 H GLU 10 -9.730 8.425 -4.525 75 HA GLU 10 HA GLU 10 -12.172 8.124 -6.042 76 1HB GLU 10 2HB GLU 10 -13.255 9.208 -4.168 77 2HB GLU 10 1HB GLU 10 -12.125 7.999 -3.562 78 1HG GLU 10 2HG GLU 10 -10.576 9.612 -2.852 79 2HG GLU 10 1HG GLU 10 -11.252 10.862 -3.894 80 H GLN 11 H GLN 11 -9.647 10.462 -5.926 81 HA GLN 11 HA GLN 11 -11.402 12.411 -7.295 82 1HB GLN 11 2HB GLN 11 -10.114 14.226 -6.351 83 2HB GLN 11 1HB GLN 11 -10.676 13.186 -5.044 84 1HG GLN 11 2HG GLN 11 -8.387 11.979 -5.315 85 2HG GLN 11 1HG GLN 11 -7.898 13.424 -6.195 86 1HE2 GLN 11 1HE2 GLN 11 -6.354 13.463 -4.171 87 2HE2 GLN 11 2HE2 GLN 11 -6.925 14.314 -2.817 88 H LEU 12 H LEU 12 -9.413 10.204 -8.251 89 HA LEU 12 HA LEU 12 -7.367 11.730 -9.628 90 1HB LEU 12 2HB LEU 12 -7.076 9.477 -10.870 91 2HB LEU 12 1HB LEU 12 -6.595 9.602 -9.196 92 HG LEU 12 HG LEU 12 -8.578 8.413 -8.486 93 1HD1 LEU 12 1HD1 LEU 12 -9.350 8.552 -11.412 94 2HD1 LEU 12 2HD1 LEU 12 -10.233 9.222 -10.040 95 3HD1 LEU 12 3HD1 LEU 12 -10.129 7.476 -10.251 96 1HD2 LEU 12 1HD2 LEU 12 -7.148 7.145 -10.833 97 2HD2 LEU 12 2HD2 LEU 12 -8.214 6.252 -9.748 98 3HD2 LEU 12 3HD2 LEU 12 -6.740 6.992 -9.124 99 H THR 13 H THR 13 -7.129 11.227 -12.094 100 HA THR 13 HA THR 13 -9.658 12.053 -13.360 101 HB THR 13 HB THR 13 -7.783 12.256 -15.334 102 HG1 THR 13 HG1 THR 13 -5.934 12.066 -14.381 103 1HG2 THR 13 1HG2 THR 13 -8.999 14.089 -13.355 104 2HG2 THR 13 2HG2 THR 13 -9.000 14.162 -15.117 105 3HG2 THR 13 3HG2 THR 13 -7.589 14.711 -14.213 106 H ASP 14 H ASP 14 -9.970 11.263 -15.631 107 HA ASP 14 HA ASP 14 -10.067 8.399 -15.649 108 1HB ASP 14 2HB ASP 14 -11.687 10.057 -16.805 109 2HB ASP 14 1HB ASP 14 -10.477 10.125 -18.086 110 H GLU 15 H GLU 15 -7.959 10.851 -17.039 111 HA GLU 15 HA GLU 15 -6.566 9.106 -18.838 112 1HB GLU 15 2HB GLU 15 -6.170 11.876 -17.806 113 2HB GLU 15 1HB GLU 15 -4.764 11.045 -18.471 114 1HG GLU 15 2HG GLU 15 -7.371 11.049 -19.978 115 2HG GLU 15 1HG GLU 15 -6.282 12.432 -20.085 116 H GLN 16 H GLN 16 -6.202 10.000 -15.458 117 HA GLN 16 HA GLN 16 -3.579 8.995 -15.048 118 1HB GLN 16 2HB GLN 16 -5.049 10.492 -13.502 119 2HB GLN 16 1HB GLN 16 -5.711 8.966 -12.923 120 1HG GLN 16 2HG GLN 16 -2.954 8.536 -12.948 121 2HG GLN 16 1HG GLN 16 -3.124 10.190 -12.359 122 1HE2 GLN 16 1HE2 GLN 16 -4.806 7.026 -11.865 123 2HE2 GLN 16 2HE2 GLN 16 -4.935 7.202 -10.181 124 H LYS 17 H LYS 17 -6.818 7.575 -14.799 125 HA LYS 17 HA LYS 17 -5.988 5.031 -13.812 126 1HB LYS 17 2HB LYS 17 -8.474 5.799 -15.372 127 2HB LYS 17 1HB LYS 17 -8.228 4.260 -14.548 128 1HG LYS 17 2HG LYS 17 -8.343 5.223 -12.424 129 2HG LYS 17 1HG LYS 17 -7.903 6.825 -13.015 130 1HD LYS 17 2HD LYS 17 -10.060 7.373 -13.360 131 2HD LYS 17 1HD LYS 17 -10.351 5.892 -14.271 132 1HE LYS 17 2HE LYS 17 -10.158 5.851 -11.260 133 2HE LYS 17 1HE LYS 17 -11.678 6.230 -12.069 134 1HZ LYS 17 1HZ LYS 17 -10.072 3.750 -12.372 135 2HZ LYS 17 2HZ LYS 17 -11.442 4.123 -13.306 136 3HZ LYS 17 3HZ LYS 17 -11.589 3.894 -11.629 137 H ASN 18 H ASN 18 -6.564 6.355 -17.057 138 HA ASN 18 HA ASN 18 -6.243 3.957 -18.521 139 1HB ASN 18 2HB ASN 18 -5.950 6.866 -19.212 140 2HB ASN 18 1HB ASN 18 -5.483 5.629 -20.378 141 1HD2 ASN 18 1HD2 ASN 18 -8.023 7.575 -19.740 142 2HD2 ASN 18 2HD2 ASN 18 -9.309 6.565 -20.194 143 H GLU 19 H GLU 19 -3.899 6.270 -17.252 144 HA GLU 19 HA GLU 19 -1.611 5.536 -18.670 145 1HB GLU 19 2HB GLU 19 -1.829 7.426 -16.991 146 2HB GLU 19 1HB GLU 19 -1.638 6.214 -15.722 147 1HG GLU 19 2HG GLU 19 0.575 6.830 -16.012 148 2HG GLU 19 1HG GLU 19 0.470 5.516 -17.183 149 H PHE 20 H PHE 20 -2.813 4.221 -15.579 150 HA PHE 20 HA PHE 20 -0.831 2.114 -15.540 151 1HB PHE 20 2HB PHE 20 -3.135 2.898 -13.790 152 2HB PHE 20 1HB PHE 20 -2.425 1.294 -13.627 153 HD1 PHE 20 HD1 PHE 20 -1.816 4.919 -13.317 154 HD2 PHE 20 HD2 PHE 20 -0.154 0.995 -12.796 155 HE1 PHE 20 HE1 PHE 20 0.037 5.879 -11.980 156 HE2 PHE 20 HE2 PHE 20 1.689 1.946 -11.449 157 HZ PHE 20 HZ PHE 20 1.791 4.393 -11.045 158 H LYS 21 H LYS 21 -4.335 2.341 -16.142 159 HA LYS 21 HA LYS 21 -4.953 -0.357 -16.363 160 1HB LYS 21 2HB LYS 21 -6.556 1.614 -16.447 161 2HB LYS 21 1HB LYS 21 -6.151 1.751 -18.155 162 1HG LYS 21 2HG LYS 21 -8.163 0.390 -17.922 163 2HG LYS 21 1HG LYS 21 -6.835 -0.635 -18.466 164 1HD LYS 21 2HD LYS 21 -6.539 -1.582 -16.303 165 2HD LYS 21 1HD LYS 21 -7.517 -0.331 -15.538 166 1HE LYS 21 2HE LYS 21 -9.495 -1.175 -16.846 167 2HE LYS 21 1HE LYS 21 -8.490 -2.515 -17.398 168 1HZ LYS 21 1HZ LYS 21 -9.764 -3.162 -15.472 169 2HZ LYS 21 2HZ LYS 21 -9.145 -1.859 -14.574 170 3HZ LYS 21 3HZ LYS 21 -8.117 -3.119 -15.071 171 H ALA 22 H ALA 22 -3.474 1.776 -18.781 172 HA ALA 22 HA ALA 22 -3.687 0.138 -21.045 173 1HB ALA 22 1HB ALA 22 -1.357 1.922 -20.292 174 2HB ALA 22 2HB ALA 22 -2.822 2.460 -21.116 175 3HB ALA 22 3HB ALA 22 -1.728 1.327 -21.911 176 H ALA 23 H ALA 23 -1.134 0.265 -18.580 177 HA ALA 23 HA ALA 23 0.340 -1.957 -19.652 178 1HB ALA 23 1HB ALA 23 1.738 -1.736 -17.729 179 2HB ALA 23 2HB ALA 23 0.482 -0.881 -16.831 180 3HB ALA 23 3HB ALA 23 1.286 -0.095 -18.190 181 H PHE 24 H PHE 24 -2.216 -1.471 -17.321 182 HA PHE 24 HA PHE 24 -2.077 -3.939 -15.960 183 1HB PHE 24 2HB PHE 24 -3.427 -1.820 -15.362 184 2HB PHE 24 1HB PHE 24 -4.649 -2.453 -16.464 185 HD1 PHE 24 HD1 PHE 24 -5.604 -4.767 -16.052 186 HD2 PHE 24 HD2 PHE 24 -3.142 -2.729 -13.186 187 HE1 PHE 24 HE1 PHE 24 -6.406 -6.296 -14.272 188 HE2 PHE 24 HE2 PHE 24 -3.946 -4.253 -11.408 189 HZ PHE 24 HZ PHE 24 -5.581 -6.032 -11.952 190 H ASP 25 H ASP 25 -3.900 -2.955 -18.894 191 HA ASP 25 HA ASP 25 -5.256 -5.475 -19.084 192 1HB ASP 25 2HB ASP 25 -6.012 -4.734 -21.286 193 2HB ASP 25 1HB ASP 25 -6.244 -3.480 -20.078 194 H ILE 26 H ILE 26 -2.169 -4.332 -20.289 195 HA ILE 26 HA ILE 26 -1.896 -6.480 -22.213 196 HB ILE 26 HB ILE 26 0.475 -5.719 -22.393 197 1HG1 ILE 26 2HG1 ILE 26 -0.386 -3.592 -20.406 198 2HG1 ILE 26 1HG1 ILE 26 0.669 -4.946 -20.011 199 1HG2 ILE 26 1HG2 ILE 26 -1.388 -3.347 -22.493 200 2HG2 ILE 26 2HG2 ILE 26 -1.551 -4.696 -23.617 201 3HG2 ILE 26 3HG2 ILE 26 -0.064 -3.748 -23.587 202 1HD1 ILE 26 1HD1 ILE 26 1.869 -2.788 -20.565 203 2HD1 ILE 26 2HD1 ILE 26 1.273 -2.963 -22.216 204 3HD1 ILE 26 3HD1 ILE 26 2.358 -4.176 -21.536 205 H PHE 27 H PHE 27 -0.869 -5.878 -18.886 206 HA PHE 27 HA PHE 27 0.803 -8.222 -18.753 207 1HB PHE 27 2HB PHE 27 -0.282 -6.431 -16.567 208 2HB PHE 27 1HB PHE 27 0.872 -7.739 -16.308 209 HD1 PHE 27 HD1 PHE 27 2.462 -7.435 -18.883 210 HD2 PHE 27 HD2 PHE 27 1.087 -4.538 -16.020 211 HE1 PHE 27 HE1 PHE 27 4.300 -5.915 -19.541 212 HE2 PHE 27 HE2 PHE 27 2.930 -3.017 -16.691 213 HZ PHE 27 HZ PHE 27 4.534 -3.706 -18.446 214 H ILE 28 H ILE 28 -2.522 -7.428 -17.755 215 HA ILE 28 HA ILE 28 -2.890 -10.158 -16.740 216 HB ILE 28 HB ILE 28 -5.009 -9.450 -15.886 217 1HG1 ILE 28 2HG1 ILE 28 -5.412 -6.797 -16.461 218 2HG1 ILE 28 1HG1 ILE 28 -4.746 -7.385 -17.984 219 1HG2 ILE 28 1HG2 ILE 28 -4.380 -7.526 -14.491 220 2HG2 ILE 28 2HG2 ILE 28 -3.028 -7.179 -15.568 221 3HG2 ILE 28 3HG2 ILE 28 -3.041 -8.667 -14.623 222 1HD1 ILE 28 1HD1 ILE 28 -7.362 -7.555 -17.428 223 2HD1 ILE 28 2HD1 ILE 28 -6.836 -9.062 -16.678 224 3HD1 ILE 28 3HD1 ILE 28 -6.531 -8.777 -18.391 225 H GLN 29 H GLN 29 -2.724 -9.071 -19.733 226 HA GLN 29 HA GLN 29 -5.055 -9.486 -21.128 227 1HB GLN 29 2HB GLN 29 -2.976 -8.790 -22.209 228 2HB GLN 29 1HB GLN 29 -2.267 -10.378 -21.910 229 1HG GLN 29 2HG GLN 29 -3.842 -11.449 -23.373 230 2HG GLN 29 1HG GLN 29 -4.804 -9.975 -23.512 231 1HE2 GLN 29 1HE2 GLN 29 -3.461 -8.008 -24.426 232 2HE2 GLN 29 2HE2 GLN 29 -2.388 -8.368 -25.691 233 H ASP 30 H ASP 30 -2.818 -11.948 -19.910 234 HA ASP 30 HA ASP 30 -4.721 -14.058 -20.736 235 1HB ASP 30 2HB ASP 30 -2.805 -15.623 -20.478 236 2HB ASP 30 1HB ASP 30 -2.508 -14.377 -21.686 237 H ALA 31 H ALA 31 -4.867 -12.327 -18.284 238 HA ALA 31 HA ALA 31 -4.471 -14.310 -16.147 239 1HB ALA 31 1HB ALA 31 -3.627 -11.950 -15.855 240 2HB ALA 31 2HB ALA 31 -4.731 -12.500 -14.594 241 3HB ALA 31 3HB ALA 31 -5.309 -11.419 -15.863 242 H GLU 32 H GLU 32 -6.149 -14.850 -14.725 243 HA GLU 32 HA GLU 32 -8.883 -14.287 -15.717 244 1HB GLU 32 2HB GLU 32 -7.806 -16.892 -14.601 245 2HB GLU 32 1HB GLU 32 -9.506 -16.576 -14.947 246 1HG GLU 32 2HG GLU 32 -8.773 -15.998 -17.327 247 2HG GLU 32 1HG GLU 32 -7.207 -16.694 -16.910 248 H ASP 33 H ASP 33 -7.666 -12.677 -13.832 249 HA ASP 33 HA ASP 33 -9.325 -13.224 -11.468 250 1HB ASP 33 2HB ASP 33 -6.846 -13.988 -11.180 251 2HB ASP 33 1HB ASP 33 -6.514 -12.261 -11.049 252 H GLY 34 H GLY 34 -7.072 -10.920 -12.990 253 1HA GLY 34 2HA GLY 34 -7.855 -8.713 -13.649 254 2HA GLY 34 1HA GLY 34 -8.911 -8.724 -12.239 255 H CYS 35 H CYS 35 -5.492 -9.632 -12.530 256 HA CYS 35 HA CYS 35 -4.545 -7.262 -11.166 257 1HB CYS 35 2HB CYS 35 -3.552 -8.595 -9.266 258 2HB CYS 35 1HB CYS 35 -5.303 -8.412 -9.205 259 HG CYS 35 HG CYS 35 -3.850 -11.047 -10.054 260 H ILE 36 H ILE 36 -2.334 -6.983 -11.369 261 HA ILE 36 HA ILE 36 -1.013 -8.792 -13.259 262 HB ILE 36 HB ILE 36 0.704 -7.087 -13.457 263 1HG1 ILE 36 2HG1 ILE 36 -0.078 -4.890 -11.997 264 2HG1 ILE 36 1HG1 ILE 36 -0.438 -6.206 -10.879 265 1HG2 ILE 36 1HG2 ILE 36 -1.249 -6.652 -14.793 266 2HG2 ILE 36 2HG2 ILE 36 -0.737 -5.113 -14.103 267 3HG2 ILE 36 3HG2 ILE 36 -2.112 -5.973 -13.414 268 1HD1 ILE 36 1HD1 ILE 36 1.763 -6.740 -10.590 269 2HD1 ILE 36 2HD1 ILE 36 2.029 -5.082 -11.132 270 3HD1 ILE 36 3HD1 ILE 36 2.164 -6.416 -12.279 271 H SER 37 H SER 37 1.522 -8.975 -12.722 272 HA SER 37 HA SER 37 1.606 -10.333 -10.127 273 1HB SER 37 2HB SER 37 2.594 -11.082 -12.551 274 2HB SER 37 1HB SER 37 4.022 -10.350 -11.826 275 HG SER 37 HG SER 37 2.482 -12.544 -10.973 276 H THR 38 H THR 38 2.362 -9.321 -8.390 277 HA THR 38 HA THR 38 3.454 -6.757 -8.302 278 HB THR 38 HB THR 38 4.265 -7.335 -6.027 279 HG1 THR 38 HG1 THR 38 4.437 -9.353 -5.422 280 1HG2 THR 38 1HG2 THR 38 2.027 -6.705 -5.971 281 2HG2 THR 38 2HG2 THR 38 1.950 -8.318 -5.262 282 3HG2 THR 38 3HG2 THR 38 1.514 -8.077 -6.953 283 H LYS 39 H LYS 39 5.027 -9.890 -8.652 284 HA LYS 39 HA LYS 39 7.716 -9.011 -8.359 285 1HB LYS 39 2HB LYS 39 8.284 -11.130 -9.579 286 2HB LYS 39 1HB LYS 39 7.227 -11.372 -8.189 287 1HG LYS 39 2HG LYS 39 5.285 -11.573 -9.600 288 2HG LYS 39 1HG LYS 39 6.192 -11.059 -11.021 289 1HD LYS 39 2HD LYS 39 7.194 -13.437 -9.525 290 2HD LYS 39 1HD LYS 39 5.744 -13.638 -10.506 291 1HE LYS 39 2HE LYS 39 7.455 -12.172 -12.147 292 2HE LYS 39 1HE LYS 39 8.522 -13.330 -11.356 293 1HZ LYS 39 1HZ LYS 39 7.589 -14.251 -13.375 294 2HZ LYS 39 2HZ LYS 39 6.012 -13.984 -12.806 295 3HZ LYS 39 3HZ LYS 39 7.021 -15.108 -12.026 296 H GLU 40 H GLU 40 5.472 -9.044 -11.070 297 HA GLU 40 HA GLU 40 7.536 -8.355 -13.003 298 1HB GLU 40 2HB GLU 40 5.938 -8.689 -14.664 299 2HB GLU 40 1HB GLU 40 5.416 -9.818 -13.421 300 1HG GLU 40 2HG GLU 40 3.458 -8.735 -13.129 301 2HG GLU 40 1HG GLU 40 4.246 -7.164 -13.043 302 H LEU 41 H LEU 41 6.475 -6.528 -10.648 303 HA LEU 41 HA LEU 41 5.211 -4.276 -11.689 304 1HB LEU 41 2HB LEU 41 6.362 -4.962 -9.257 305 2HB LEU 41 1HB LEU 41 7.303 -3.587 -9.786 306 HG LEU 41 HG LEU 41 5.413 -2.949 -8.321 307 1HD1 LEU 41 1HD1 LEU 41 4.358 -1.302 -10.013 308 2HD1 LEU 41 2HD1 LEU 41 5.444 -2.030 -11.195 309 3HD1 LEU 41 3HD1 LEU 41 6.104 -1.220 -9.775 310 1HD2 LEU 41 1HD2 LEU 41 3.637 -3.843 -10.611 311 2HD2 LEU 41 2HD2 LEU 41 3.126 -3.223 -9.041 312 3HD2 LEU 41 3HD2 LEU 41 3.896 -4.806 -9.156 313 H GLY 42 H GLY 42 8.599 -5.252 -11.891 314 1HA GLY 42 2HA GLY 42 9.752 -2.829 -12.724 315 2HA GLY 42 1HA GLY 42 10.357 -4.431 -13.135 316 H LYS 43 H LYS 43 7.900 -5.252 -14.497 317 HA LYS 43 HA LYS 43 8.489 -4.267 -17.122 318 1HB LYS 43 2HB LYS 43 6.154 -5.947 -16.172 319 2HB LYS 43 1HB LYS 43 6.610 -5.682 -17.854 320 1HG LYS 43 2HG LYS 43 8.433 -6.928 -15.774 321 2HG LYS 43 1HG LYS 43 7.462 -7.851 -16.921 322 1HD LYS 43 2HD LYS 43 8.607 -6.631 -18.788 323 2HD LYS 43 1HD LYS 43 9.656 -5.870 -17.594 324 1HE LYS 43 2HE LYS 43 9.372 -8.870 -17.728 325 2HE LYS 43 1HE LYS 43 10.521 -8.018 -18.757 326 1HZ LYS 43 1HZ LYS 43 10.421 -7.984 -15.789 327 2HZ LYS 43 2HZ LYS 43 11.444 -6.995 -16.719 328 3HZ LYS 43 3HZ LYS 43 11.621 -8.685 -16.761 329 H VAL 44 H VAL 44 6.133 -3.437 -14.661 330 HA VAL 44 HA VAL 44 4.586 -1.807 -16.532 331 HB VAL 44 HB VAL 44 2.878 -1.855 -15.045 332 1HG1 VAL 44 1HG1 VAL 44 4.353 -3.824 -13.339 333 2HG1 VAL 44 2HG1 VAL 44 4.051 -4.221 -15.029 334 3HG1 VAL 44 3HG1 VAL 44 2.699 -3.885 -13.949 335 1HG2 VAL 44 1HG2 VAL 44 3.576 -0.319 -13.422 336 2HG2 VAL 44 2HG2 VAL 44 4.984 -1.283 -12.971 337 3HG2 VAL 44 3HG2 VAL 44 3.374 -1.790 -12.474 338 H MET 45 H MET 45 6.869 -1.456 -13.874 339 HA MET 45 HA MET 45 6.666 1.354 -13.565 340 1HB MET 45 2HB MET 45 8.016 -0.622 -12.238 341 2HB MET 45 1HB MET 45 9.329 0.181 -13.099 342 1HG MET 45 2HG MET 45 9.212 1.470 -11.164 343 2HG MET 45 1HG MET 45 8.149 2.377 -12.238 344 1HE MET 45 1HE MET 45 8.183 0.749 -8.586 345 2HE MET 45 2HE MET 45 7.115 2.133 -8.371 346 3HE MET 45 3HE MET 45 8.603 2.314 -9.297 347 H ARG 46 H ARG 46 8.712 -0.713 -15.616 348 HA ARG 46 HA ARG 46 10.351 1.340 -16.667 349 1HB ARG 46 2HB ARG 46 10.902 -0.201 -18.465 350 2HB ARG 46 1HB ARG 46 10.841 -1.085 -16.941 351 1HG ARG 46 2HG ARG 46 8.494 -1.765 -17.486 352 2HG ARG 46 1HG ARG 46 8.674 -0.993 -19.060 353 1HD ARG 46 2HD ARG 46 10.446 -3.221 -18.021 354 2HD ARG 46 1HD ARG 46 9.108 -3.447 -19.135 355 HE ARG 46 HE ARG 46 10.362 -2.350 -20.827 356 1HH1 ARG 46 2HH1 ARG 46 12.092 -2.580 -17.791 357 2HH1 ARG 46 1HH1 ARG 46 13.624 -2.210 -18.499 358 1HH2 ARG 46 1HH2 ARG 46 12.386 -1.865 -21.721 359 2HH2 ARG 46 2HH2 ARG 46 13.793 -1.806 -20.712 360 H MET 47 H MET 47 7.141 0.182 -17.554 361 HA MET 47 HA MET 47 6.942 1.735 -19.970 362 1HB MET 47 2HB MET 47 4.869 0.338 -18.261 363 2HB MET 47 1HB MET 47 4.479 1.200 -19.749 364 1HG MET 47 2HG MET 47 6.532 -1.024 -19.605 365 2HG MET 47 1HG MET 47 4.843 -1.290 -20.037 366 1HE MET 47 1HE MET 47 7.859 -1.589 -21.560 367 2HE MET 47 2HE MET 47 8.281 0.024 -20.990 368 3HE MET 47 3HE MET 47 8.187 -0.294 -22.719 369 H LEU 48 H LEU 48 6.200 2.202 -16.570 370 HA LEU 48 HA LEU 48 4.622 4.577 -16.859 371 1HB LEU 48 2HB LEU 48 5.928 3.106 -14.633 372 2HB LEU 48 1HB LEU 48 5.591 4.801 -14.366 373 HG LEU 48 HG LEU 48 3.262 4.473 -14.469 374 1HD1 LEU 48 1HD1 LEU 48 2.780 1.782 -15.080 375 2HD1 LEU 48 2HD1 LEU 48 3.986 2.291 -16.261 376 3HD1 LEU 48 3HD1 LEU 48 2.462 3.164 -16.127 377 1HD2 LEU 48 1HD2 LEU 48 3.158 2.047 -13.179 378 2HD2 LEU 48 2HD2 LEU 48 3.578 3.576 -12.404 379 3HD2 LEU 48 3HD2 LEU 48 4.852 2.494 -12.966 380 H GLY 49 H GLY 49 8.049 3.871 -16.606 381 1HA GLY 49 2HA GLY 49 9.530 5.548 -17.681 382 2HA GLY 49 1HA GLY 49 8.646 6.769 -16.777 383 H GLN 50 H GLN 50 9.295 3.798 -15.096 384 HA GLN 50 HA GLN 50 11.662 4.984 -13.776 385 1HB GLN 50 2HB GLN 50 9.621 3.463 -12.174 386 2HB GLN 50 1HB GLN 50 10.855 4.587 -11.613 387 1HG GLN 50 2HG GLN 50 8.504 5.439 -13.327 388 2HG GLN 50 1HG GLN 50 8.477 5.480 -11.565 389 1HE2 GLN 50 1HE2 GLN 50 8.583 7.692 -13.773 390 2HE2 GLN 50 2HE2 GLN 50 9.832 8.709 -13.236 391 H ASN 51 H ASN 51 12.802 3.291 -12.380 392 HA ASN 51 HA ASN 51 12.396 0.521 -13.144 393 1HB ASN 51 2HB ASN 51 13.752 1.663 -15.022 394 2HB ASN 51 1HB ASN 51 15.072 1.710 -13.855 395 1HD2 ASN 51 1HD2 ASN 51 16.427 -0.070 -14.081 396 2HD2 ASN 51 2HD2 ASN 51 15.925 -1.626 -14.537 397 HA PRO 52 HA PRO 52 14.385 1.045 -9.022 398 1HB PRO 52 2HB PRO 52 12.442 -0.257 -7.608 399 2HB PRO 52 1HB PRO 52 12.373 1.466 -8.005 400 1HG PRO 52 2HG PRO 52 10.834 -0.785 -9.136 401 2HG PRO 52 1HG PRO 52 10.419 0.933 -9.048 402 1HD PRO 52 2HD PRO 52 11.404 -0.474 -11.329 403 2HD PRO 52 1HD PRO 52 11.167 1.283 -11.177 404 H THR 53 H THR 53 14.089 -1.056 -7.201 405 HA THR 53 HA THR 53 15.283 -3.337 -8.663 406 HB THR 53 HB THR 53 16.649 -3.760 -6.811 407 HG1 THR 53 HG1 THR 53 16.039 -3.421 -4.798 408 1HG2 THR 53 1HG2 THR 53 17.240 -1.583 -7.815 409 2HG2 THR 53 2HG2 THR 53 17.615 -1.629 -6.092 410 3HG2 THR 53 3HG2 THR 53 16.180 -0.775 -6.660 411 HA PRO 54 HA PRO 54 12.053 -5.984 -7.221 412 1HB PRO 54 2HB PRO 54 13.335 -8.195 -6.229 413 2HB PRO 54 1HB PRO 54 13.191 -7.824 -7.954 414 1HG PRO 54 2HG PRO 54 15.540 -7.545 -6.157 415 2HG PRO 54 1HG PRO 54 15.480 -7.882 -7.893 416 1HD PRO 54 2HD PRO 54 16.074 -5.401 -6.742 417 2HD PRO 54 1HD PRO 54 15.589 -5.656 -8.434 418 H GLU 55 H GLU 55 14.551 -5.289 -4.854 419 HA GLU 55 HA GLU 55 12.952 -6.094 -2.568 420 1HB GLU 55 2HB GLU 55 15.544 -4.529 -2.744 421 2HB GLU 55 1HB GLU 55 14.792 -5.074 -1.244 422 1HG GLU 55 2HG GLU 55 14.828 -7.425 -2.512 423 2HG GLU 55 1HG GLU 55 16.174 -6.668 -3.361 424 H GLU 56 H GLU 56 13.740 -3.150 -4.344 425 HA GLU 56 HA GLU 56 12.622 -1.310 -2.460 426 1HB GLU 56 2HB GLU 56 14.285 -0.803 -4.355 427 2HB GLU 56 1HB GLU 56 12.885 -0.814 -5.425 428 1HG GLU 56 2HG GLU 56 12.035 0.767 -3.313 429 2HG GLU 56 1HG GLU 56 13.731 1.216 -3.486 430 H LEU 57 H LEU 57 11.411 -2.732 -5.518 431 HA LEU 57 HA LEU 57 8.881 -1.463 -5.438 432 1HB LEU 57 2HB LEU 57 8.224 -2.932 -7.170 433 2HB LEU 57 1HB LEU 57 9.898 -2.528 -7.450 434 HG LEU 57 HG LEU 57 10.316 -4.816 -6.171 435 1HD1 LEU 57 1HD1 LEU 57 8.283 -5.709 -5.600 436 2HD1 LEU 57 2HD1 LEU 57 8.312 -6.281 -7.269 437 3HD1 LEU 57 3HD1 LEU 57 7.423 -4.815 -6.855 438 1HD2 LEU 57 1HD2 LEU 57 9.316 -4.661 -9.034 439 2HD2 LEU 57 2HD2 LEU 57 10.354 -5.922 -8.369 440 3HD2 LEU 57 3HD2 LEU 57 10.953 -4.269 -8.508 441 H GLN 58 H GLN 58 10.095 -4.428 -3.959 442 HA GLN 58 HA GLN 58 7.613 -5.610 -3.316 443 1HB GLN 58 2HB GLN 58 9.919 -6.678 -3.129 444 2HB GLN 58 1HB GLN 58 10.092 -5.811 -1.603 445 1HG GLN 58 2HG GLN 58 9.240 -8.038 -1.130 446 2HG GLN 58 1HG GLN 58 7.956 -6.872 -0.823 447 1HE2 GLN 58 1HE2 GLN 58 6.016 -7.100 -2.026 448 2HE2 GLN 58 2HE2 GLN 58 5.812 -8.229 -3.278 449 H GLU 59 H GLU 59 9.414 -2.993 -1.800 450 HA GLU 59 HA GLU 59 8.051 -2.997 0.699 451 1HB GLU 59 2HB GLU 59 9.754 -1.039 -0.783 452 2HB GLU 59 1HB GLU 59 8.765 -0.441 0.549 453 1HG GLU 59 2HG GLU 59 10.566 -2.856 0.829 454 2HG GLU 59 1HG GLU 59 11.122 -1.218 1.169 455 H MET 60 H MET 60 7.557 -1.032 -2.263 456 HA MET 60 HA MET 60 5.274 0.321 -1.264 457 1HB MET 60 2HB MET 60 4.787 0.877 -3.641 458 2HB MET 60 1HB MET 60 6.447 1.238 -3.177 459 1HG MET 60 2HG MET 60 7.228 -0.821 -4.231 460 2HG MET 60 1HG MET 60 5.570 -1.284 -4.615 461 1HE MET 60 1HE MET 60 8.083 1.411 -4.646 462 2HE MET 60 2HE MET 60 7.976 2.244 -6.194 463 3HE MET 60 3HE MET 60 8.726 0.652 -6.109 464 H ILE 61 H ILE 61 5.705 -2.748 -2.914 465 HA ILE 61 HA ILE 61 2.958 -3.263 -3.470 466 HB ILE 61 HB ILE 61 5.317 -5.123 -3.084 467 1HG1 ILE 61 2HG1 ILE 61 5.432 -3.638 -5.050 468 2HG1 ILE 61 1HG1 ILE 61 5.182 -5.310 -5.546 469 1HG2 ILE 61 1HG2 ILE 61 3.328 -6.391 -2.565 470 2HG2 ILE 61 2HG2 ILE 61 3.825 -6.823 -4.200 471 3HG2 ILE 61 3HG2 ILE 61 2.475 -5.717 -3.952 472 1HD1 ILE 61 1HD1 ILE 61 3.654 -4.031 -6.852 473 2HD1 ILE 61 2HD1 ILE 61 3.156 -3.069 -5.461 474 3HD1 ILE 61 3HD1 ILE 61 2.675 -4.760 -5.579 475 H ASP 62 H ASP 62 5.101 -4.062 -0.750 476 HA ASP 62 HA ASP 62 3.298 -5.609 0.756 477 1HB ASP 62 2HB ASP 62 5.841 -5.132 1.129 478 2HB ASP 62 1HB ASP 62 5.266 -3.762 2.081 479 H GLU 63 H GLU 63 3.768 -2.092 0.571 480 HA GLU 63 HA GLU 63 1.901 -1.527 2.710 481 1HB GLU 63 2HB GLU 63 3.614 0.042 0.876 482 2HB GLU 63 1HB GLU 63 2.124 0.833 1.387 483 1HG GLU 63 2HG GLU 63 2.821 0.027 3.780 484 2HG GLU 63 1HG GLU 63 4.429 -0.117 3.069 485 H VAL 64 H VAL 64 1.891 -1.017 -0.815 486 HA VAL 64 HA VAL 64 -0.738 -0.077 -1.072 487 HB VAL 64 HB VAL 64 1.000 -1.590 -3.035 488 1HG1 VAL 64 1HG1 VAL 64 -1.744 -0.545 -3.212 489 2HG1 VAL 64 2HG1 VAL 64 -0.910 -1.708 -4.241 490 3HG1 VAL 64 3HG1 VAL 64 -0.678 0.023 -4.499 491 1HG2 VAL 64 1HG2 VAL 64 0.432 1.372 -2.956 492 2HG2 VAL 64 2HG2 VAL 64 1.759 0.525 -3.752 493 3HG2 VAL 64 3HG2 VAL 64 1.732 0.664 -1.993 494 H ASP 65 H ASP 65 0.490 -3.327 -1.851 495 HA ASP 65 HA ASP 65 -2.047 -4.535 -2.189 496 1HB ASP 65 2HB ASP 65 0.541 -5.347 -2.591 497 2HB ASP 65 1HB ASP 65 0.090 -6.304 -1.183 498 H GLU 66 H GLU 66 -3.455 -4.119 -0.529 499 HA GLU 66 HA GLU 66 -2.830 -4.288 2.230 500 1HB GLU 66 2HB GLU 66 -5.280 -4.302 2.593 501 2HB GLU 66 1HB GLU 66 -4.778 -3.037 1.476 502 1HG GLU 66 2HG GLU 66 -5.352 -4.592 -0.424 503 2HG GLU 66 1HG GLU 66 -6.028 -5.706 0.765 504 H ASP 67 H ASP 67 -4.131 -6.665 -0.055 505 HA ASP 67 HA ASP 67 -4.464 -8.666 2.021 506 1HB ASP 67 2HB ASP 67 -4.948 -10.194 0.036 507 2HB ASP 67 1HB ASP 67 -6.063 -8.854 0.286 508 H GLY 68 H GLY 68 -2.164 -7.937 -0.556 509 1HA GLY 68 2HA GLY 68 0.040 -8.572 -0.798 510 2HA GLY 68 1HA GLY 68 -0.065 -9.369 0.769 511 H SER 69 H SER 69 -1.853 -9.849 -2.271 512 HA SER 69 HA SER 69 -1.483 -12.732 -2.051 513 1HB SER 69 2HB SER 69 -2.994 -12.835 -4.012 514 2HB SER 69 1HB SER 69 -3.688 -11.915 -2.681 515 HG SER 69 HG SER 69 -2.736 -11.065 -5.167 516 H GLY 70 H GLY 70 0.501 -10.388 -3.190 517 1HA GLY 70 2HA GLY 70 2.397 -10.530 -4.505 518 2HA GLY 70 1HA GLY 70 1.958 -12.191 -4.895 519 H THR 71 H THR 71 -0.476 -9.774 -5.328 520 HA THR 71 HA THR 71 0.127 -9.425 -8.171 521 HB THR 71 HB THR 71 -2.062 -10.161 -8.895 522 HG1 THR 71 HG1 THR 71 -3.446 -9.779 -7.305 523 1HG2 THR 71 1HG2 THR 71 -0.836 -12.198 -7.012 524 2HG2 THR 71 2HG2 THR 71 -0.317 -11.896 -8.671 525 3HG2 THR 71 3HG2 THR 71 -1.921 -12.561 -8.356 526 H VAL 72 H VAL 72 -0.262 -7.392 -8.783 527 HA VAL 72 HA VAL 72 -1.621 -5.594 -6.922 528 HB VAL 72 HB VAL 72 -0.423 -4.824 -9.578 529 1HG1 VAL 72 1HG1 VAL 72 -1.866 -3.184 -8.395 530 2HG1 VAL 72 2HG1 VAL 72 -0.191 -2.643 -8.483 531 3HG1 VAL 72 3HG1 VAL 72 -0.823 -3.313 -6.979 532 1HG2 VAL 72 1HG2 VAL 72 0.935 -5.202 -6.895 533 2HG2 VAL 72 2HG2 VAL 72 1.622 -4.230 -8.198 534 3HG2 VAL 72 3HG2 VAL 72 1.363 -5.961 -8.430 535 H ASP 73 H ASP 73 -3.714 -5.245 -7.072 536 HA ASP 73 HA ASP 73 -5.209 -5.877 -9.488 537 1HB ASP 73 2HB ASP 73 -6.054 -4.729 -6.809 538 2HB ASP 73 1HB ASP 73 -7.169 -5.068 -8.132 539 H PHE 74 H PHE 74 -6.771 -4.152 -10.360 540 HA PHE 74 HA PHE 74 -5.308 -1.946 -11.269 541 1HB PHE 74 2HB PHE 74 -7.424 -2.863 -12.315 542 2HB PHE 74 1HB PHE 74 -8.321 -1.972 -11.084 543 HD1 PHE 74 HD1 PHE 74 -5.226 -1.163 -13.036 544 HD2 PHE 74 HD2 PHE 74 -9.270 -0.079 -12.080 545 HE1 PHE 74 HE1 PHE 74 -4.987 0.906 -14.371 546 HE2 PHE 74 HE2 PHE 74 -9.030 1.994 -13.417 547 HZ PHE 74 HZ PHE 74 -6.888 2.489 -14.562 548 H ASP 75 H ASP 75 -7.478 -2.244 -8.482 549 HA ASP 75 HA ASP 75 -7.556 0.524 -7.816 550 1HB ASP 75 2HB ASP 75 -9.103 -1.244 -6.884 551 2HB ASP 75 1HB ASP 75 -7.762 -1.801 -5.884 552 H GLU 76 H GLU 76 -5.447 -2.162 -6.851 553 HA GLU 76 HA GLU 76 -3.817 -0.625 -5.062 554 1HB GLU 76 2HB GLU 76 -3.145 -3.216 -6.483 555 2HB GLU 76 1HB GLU 76 -2.333 -2.559 -5.063 556 1HG GLU 76 2HG GLU 76 -4.304 -2.850 -3.705 557 2HG GLU 76 1HG GLU 76 -5.285 -3.246 -5.113 558 H PHE 77 H PHE 77 -3.874 -1.172 -8.496 559 HA PHE 77 HA PHE 77 -1.178 -0.543 -9.117 560 1HB PHE 77 2HB PHE 77 -3.210 -1.561 -10.541 561 2HB PHE 77 1HB PHE 77 -3.358 0.115 -11.043 562 HD1 PHE 77 HD1 PHE 77 -2.858 -0.755 -13.336 563 HD2 PHE 77 HD2 PHE 77 0.024 -0.950 -10.141 564 HE1 PHE 77 HE1 PHE 77 -1.036 -1.108 -14.979 565 HE2 PHE 77 HE2 PHE 77 1.828 -1.288 -11.791 566 HZ PHE 77 HZ PHE 77 1.304 -1.372 -14.212 567 H LEU 78 H LEU 78 -4.163 1.406 -9.310 568 HA LEU 78 HA LEU 78 -2.874 3.841 -10.006 569 1HB LEU 78 2HB LEU 78 -5.503 3.597 -8.563 570 2HB LEU 78 1HB LEU 78 -4.972 4.896 -9.616 571 HG LEU 78 HG LEU 78 -5.909 2.128 -10.355 572 1HD1 LEU 78 1HD1 LEU 78 -7.355 3.470 -11.888 573 2HD1 LEU 78 2HD1 LEU 78 -6.659 4.939 -11.200 574 3HD1 LEU 78 3HD1 LEU 78 -7.612 3.854 -10.186 575 1HD2 LEU 78 1HD2 LEU 78 -4.074 3.973 -11.846 576 2HD2 LEU 78 2HD2 LEU 78 -5.280 3.062 -12.756 577 3HD2 LEU 78 3HD2 LEU 78 -4.078 2.210 -11.785 578 H VAL 79 H VAL 79 -3.811 2.394 -6.914 579 HA VAL 79 HA VAL 79 -3.249 4.671 -5.305 580 HB VAL 79 HB VAL 79 -4.393 2.212 -4.851 581 1HG1 VAL 79 1HG1 VAL 79 -2.262 1.074 -4.579 582 2HG1 VAL 79 2HG1 VAL 79 -3.076 1.179 -3.020 583 3HG1 VAL 79 3HG1 VAL 79 -1.742 2.270 -3.394 584 1HG2 VAL 79 1HG2 VAL 79 -4.475 3.003 -2.452 585 2HG2 VAL 79 2HG2 VAL 79 -4.969 4.212 -3.637 586 3HG2 VAL 79 3HG2 VAL 79 -3.364 4.294 -2.909 587 H MET 80 H MET 80 -1.354 1.854 -6.297 588 HA MET 80 HA MET 80 0.976 2.106 -4.870 589 1HB MET 80 2HB MET 80 0.198 0.695 -7.129 590 2HB MET 80 1HB MET 80 1.529 1.691 -7.711 591 1HG MET 80 2HG MET 80 2.795 0.901 -5.605 592 2HG MET 80 1HG MET 80 1.545 -0.336 -5.477 593 1HE MET 80 1HE MET 80 3.195 1.059 -9.048 594 2HE MET 80 2HE MET 80 4.740 0.336 -8.606 595 3HE MET 80 3HE MET 80 3.968 1.483 -7.515 596 H MET 81 H MET 81 -0.088 4.078 -7.610 597 HA MET 81 HA MET 81 2.378 5.440 -8.034 598 1HB MET 81 2HB MET 81 0.319 5.296 -9.583 599 2HB MET 81 1HB MET 81 -0.329 6.622 -8.619 600 1HG MET 81 2HG MET 81 2.378 7.263 -9.251 601 2HG MET 81 1HG MET 81 1.593 6.745 -10.741 602 1HE MET 81 1HE MET 81 -0.901 7.039 -10.721 603 2HE MET 81 2HE MET 81 -1.230 8.618 -11.427 604 3HE MET 81 3HE MET 81 -1.783 8.260 -9.794 605 H VAL 82 H VAL 82 -0.640 6.550 -6.460 606 HA VAL 82 HA VAL 82 0.473 8.951 -5.443 607 HB VAL 82 HB VAL 82 -1.511 9.000 -3.935 608 1HG1 VAL 82 1HG1 VAL 82 -3.188 8.747 -5.958 609 2HG1 VAL 82 2HG1 VAL 82 -1.708 8.522 -6.890 610 3HG1 VAL 82 3HG1 VAL 82 -1.960 10.012 -5.981 611 1HG2 VAL 82 1HG2 VAL 82 -1.620 6.497 -3.634 612 2HG2 VAL 82 2HG2 VAL 82 -2.239 6.381 -5.281 613 3HG2 VAL 82 3HG2 VAL 82 -3.167 7.236 -4.049 614 H ARG 83 H ARG 83 0.440 5.672 -4.206 615 HA ARG 83 HA ARG 83 1.055 6.218 -1.497 616 1HB ARG 83 2HB ARG 83 1.683 3.832 -3.245 617 2HB ARG 83 1HB ARG 83 2.029 3.886 -1.516 618 1HG ARG 83 2HG ARG 83 -0.641 4.775 -1.813 619 2HG ARG 83 1HG ARG 83 -0.477 3.353 -2.839 620 1HD ARG 83 2HD ARG 83 0.638 2.211 -0.848 621 2HD ARG 83 1HD ARG 83 0.083 3.571 0.121 622 HE ARG 83 HE ARG 83 -2.082 2.458 -1.363 623 1HH1 ARG 83 2HH1 ARG 83 -0.037 1.919 1.412 624 2HH1 ARG 83 1HH1 ARG 83 -1.191 0.917 2.223 625 1HH2 ARG 83 1HH2 ARG 83 -3.577 1.140 -0.287 626 2HH2 ARG 83 2HH2 ARG 83 -3.186 0.471 1.261 627 H CYS 84 H CYS 84 3.033 6.091 -4.402 628 HA CYS 84 HA CYS 84 5.560 6.049 -3.027 629 1HB CYS 84 2HB CYS 84 4.738 6.542 -5.881 630 2HB CYS 84 1HB CYS 84 6.401 6.799 -5.353 631 HG CYS 84 HG CYS 84 6.410 4.331 -5.981 632 H MET 85 H MET 85 3.492 8.578 -4.441 633 HA MET 85 HA MET 85 5.442 10.648 -3.736 634 1HB MET 85 2HB MET 85 3.751 10.503 -5.833 635 2HB MET 85 1HB MET 85 2.743 11.416 -4.711 636 1HG MET 85 2HG MET 85 5.605 12.238 -5.025 637 2HG MET 85 1HG MET 85 4.472 12.649 -6.312 638 1HE MET 85 1HE MET 85 4.391 15.980 -5.114 639 2HE MET 85 2HE MET 85 3.054 15.222 -5.974 640 3HE MET 85 3HE MET 85 4.710 14.736 -6.329 641 H LYS 86 H LYS 86 1.921 10.306 -3.191 642 HA LYS 86 HA LYS 86 2.076 11.947 -0.799 643 1HB LYS 86 2HB LYS 86 0.148 12.067 -2.399 644 2HB LYS 86 1HB LYS 86 -0.305 10.437 -1.904 645 1HG LYS 86 2HG LYS 86 0.163 12.307 0.334 646 2HG LYS 86 1HG LYS 86 -1.209 12.724 -0.692 647 1HD LYS 86 2HD LYS 86 -1.656 10.077 -0.446 648 2HD LYS 86 1HD LYS 86 -0.814 10.361 1.078 649 1HE LYS 86 2HE LYS 86 -2.980 10.844 1.736 650 2HE LYS 86 1HE LYS 86 -2.470 12.444 1.200 651 1HZ LYS 86 1HZ LYS 86 -3.421 11.932 -0.993 652 2HZ LYS 86 2HZ LYS 86 -4.590 11.905 0.240 653 3HZ LYS 86 3HZ LYS 86 -3.987 10.449 -0.396 654 H ASP 87 H ASP 87 3.070 10.942 0.851 655 HA ASP 87 HA ASP 87 1.717 8.862 2.266 656 1HB ASP 87 2HB ASP 87 3.048 7.702 0.321 657 2HB ASP 87 1HB ASP 87 4.450 8.007 1.344 658 H ASP 88 H ASP 88 2.347 11.346 3.065 659 HA ASP 88 HA ASP 88 3.957 10.917 5.385 660 1HB ASP 88 2HB ASP 88 5.719 11.276 3.590 661 2HB ASP 88 1HB ASP 88 5.094 12.916 3.419 662 H SER 89 HN SER 89 3.095 13.644 3.222 663 HA SER 89 HA SER 89 2.210 15.217 5.511 664 1HB SER 89 2HB SER 89 3.435 16.016 3.291 665 2HB SER 89 1HB SER 89 1.779 16.133 2.701 666 HG SER 89 HG SER 89 1.376 17.694 4.108 Start of MODEL 40 1 1H MET 1 1H MET 1 -6.529 5.901 8.382 2 2H MET 1 2H MET 1 -6.416 5.957 10.076 3 3H MET 1 3H MET 1 -5.856 4.595 9.231 4 HA MET 1 HA MET 1 -4.688 7.312 9.339 5 1HB MET 1 2HB MET 1 -2.678 6.121 10.053 6 2HB MET 1 1HB MET 1 -4.032 5.674 11.086 7 1HG MET 1 2HG MET 1 -4.315 3.572 9.927 8 2HG MET 1 1HG MET 1 -3.145 4.037 8.692 9 1HE MET 1 1HE MET 1 -3.257 1.456 11.333 10 2HE MET 1 2HE MET 1 -4.028 2.890 12.009 11 3HE MET 1 3HE MET 1 -2.570 2.247 12.759 12 H ASN 2 H ASN 2 -4.916 4.330 7.446 13 HA ASN 2 HA ASN 2 -3.198 5.555 5.373 14 1HB ASN 2 2HB ASN 2 -2.997 3.230 4.466 15 2HB ASN 2 1HB ASN 2 -2.323 3.415 6.084 16 1HD2 ASN 2 1HD2 ASN 2 -4.915 1.905 4.224 17 2HD2 ASN 2 2HD2 ASN 2 -5.533 0.973 5.501 18 H ASP 3 H ASP 3 -5.964 6.292 5.773 19 HA ASP 3 HA ASP 3 -7.274 5.116 3.398 20 1HB ASP 3 2HB ASP 3 -8.476 6.738 5.659 21 2HB ASP 3 1HB ASP 3 -9.365 6.020 4.316 22 H ILE 4 H ILE 4 -5.147 7.255 3.461 23 HA ILE 4 HA ILE 4 -6.613 9.597 2.506 24 HB ILE 4 HB ILE 4 -4.524 10.777 2.490 25 1HG1 ILE 4 2HG1 ILE 4 -3.210 8.696 1.659 26 2HG1 ILE 4 1HG1 ILE 4 -2.385 9.817 2.733 27 1HG2 ILE 4 1HG2 ILE 4 -5.578 10.610 4.653 28 2HG2 ILE 4 2HG2 ILE 4 -3.832 10.490 4.874 29 3HG2 ILE 4 3HG2 ILE 4 -4.833 9.040 4.947 30 1HD1 ILE 4 1HD1 ILE 4 -1.862 7.899 3.860 31 2HD1 ILE 4 2HD1 ILE 4 -3.248 7.019 3.218 32 3HD1 ILE 4 3HD1 ILE 4 -3.459 8.131 4.569 33 H TYR 5 H TYR 5 -4.691 6.940 1.296 34 HA TYR 5 HA TYR 5 -4.195 8.009 -1.311 35 1HB TYR 5 2HB TYR 5 -4.455 5.056 -0.785 36 2HB TYR 5 1HB TYR 5 -3.382 5.891 -1.907 37 HD1 TYR 5 HD1 TYR 5 -1.815 7.742 -0.628 38 HD2 TYR 5 HD2 TYR 5 -3.458 4.169 1.101 39 HE1 TYR 5 HE1 TYR 5 -0.071 7.780 1.109 40 HE2 TYR 5 HE2 TYR 5 -1.699 4.204 2.841 41 HH TYR 5 HH TYR 5 0.971 5.532 2.738 42 H LYS 6 H LYS 6 -6.777 6.109 0.165 43 HA LYS 6 HA LYS 6 -8.190 5.442 -2.205 44 1HB LYS 6 2HB LYS 6 -8.721 5.364 0.699 45 2HB LYS 6 1HB LYS 6 -10.153 5.530 -0.316 46 1HG LYS 6 2HG LYS 6 -9.927 3.219 -0.283 47 2HG LYS 6 1HG LYS 6 -8.992 3.614 -1.725 48 1HD LYS 6 2HD LYS 6 -7.087 3.879 0.222 49 2HD LYS 6 1HD LYS 6 -8.075 2.579 0.888 50 1HE LYS 6 2HE LYS 6 -7.869 1.329 -1.229 51 2HE LYS 6 1HE LYS 6 -6.885 2.629 -1.901 52 1HZ LYS 6 1HZ LYS 6 -5.237 2.252 -0.207 53 2HZ LYS 6 2HZ LYS 6 -5.546 0.793 -1.023 54 3HZ LYS 6 3HZ LYS 6 -6.197 1.058 0.525 55 H ALA 7 H ALA 7 -8.208 8.282 -0.117 56 HA ALA 7 HA ALA 7 -10.581 9.478 -1.132 57 1HB ALA 7 1HB ALA 7 -8.227 11.036 -0.080 58 2HB ALA 7 2HB ALA 7 -9.260 10.093 0.994 59 3HB ALA 7 3HB ALA 7 -9.944 11.415 0.048 60 H ALA 8 H ALA 8 -7.294 9.325 -2.314 61 HA ALA 8 HA ALA 8 -7.660 11.486 -4.228 62 1HB ALA 8 1HB ALA 8 -5.391 11.004 -4.921 63 2HB ALA 8 2HB ALA 8 -5.403 9.481 -4.029 64 3HB ALA 8 3HB ALA 8 -5.449 11.015 -3.158 65 H VAL 9 H VAL 9 -7.412 7.938 -4.277 66 HA VAL 9 HA VAL 9 -7.566 7.659 -7.098 67 HB VAL 9 HB VAL 9 -6.776 5.885 -5.493 68 1HG1 VAL 9 1HG1 VAL 9 -8.584 6.055 -3.851 69 2HG1 VAL 9 2HG1 VAL 9 -8.515 4.420 -4.507 70 3HG1 VAL 9 3HG1 VAL 9 -9.759 5.541 -5.061 71 1HG2 VAL 9 1HG2 VAL 9 -7.476 5.519 -7.924 72 2HG2 VAL 9 2HG2 VAL 9 -9.011 4.921 -7.293 73 3HG2 VAL 9 3HG2 VAL 9 -7.509 4.089 -6.892 74 H GLU 10 H GLU 10 -9.989 8.308 -4.691 75 HA GLU 10 HA GLU 10 -12.204 7.408 -6.322 76 1HB GLU 10 2HB GLU 10 -13.625 8.235 -4.564 77 2HB GLU 10 1HB GLU 10 -12.266 7.397 -3.818 78 1HG GLU 10 2HG GLU 10 -11.311 9.349 -3.028 79 2HG GLU 10 1HG GLU 10 -12.013 10.341 -4.305 80 H GLN 11 H GLN 11 -10.280 10.272 -6.098 81 HA GLN 11 HA GLN 11 -12.232 11.674 -7.825 82 1HB GLN 11 2HB GLN 11 -11.634 13.800 -6.769 83 2HB GLN 11 1HB GLN 11 -12.273 12.673 -5.574 84 1HG GLN 11 2HG GLN 11 -9.886 12.035 -5.029 85 2HG GLN 11 1HG GLN 11 -9.365 13.365 -6.063 86 1HE2 GLN 11 1HE2 GLN 11 -11.655 12.807 -3.317 87 2HE2 GLN 11 2HE2 GLN 11 -11.328 14.294 -2.565 88 H LEU 12 H LEU 12 -9.829 10.060 -8.497 89 HA LEU 12 HA LEU 12 -7.823 11.980 -9.360 90 1HB LEU 12 2HB LEU 12 -6.979 9.879 -10.652 91 2HB LEU 12 1HB LEU 12 -6.774 9.990 -8.920 92 HG LEU 12 HG LEU 12 -8.595 8.450 -8.551 93 1HD1 LEU 12 1HD1 LEU 12 -10.190 9.005 -10.224 94 2HD1 LEU 12 2HD1 LEU 12 -9.660 7.371 -10.625 95 3HD1 LEU 12 3HD1 LEU 12 -9.027 8.749 -11.525 96 1HD2 LEU 12 1HD2 LEU 12 -7.694 6.452 -9.713 97 2HD2 LEU 12 2HD2 LEU 12 -6.406 7.467 -9.066 98 3HD2 LEU 12 3HD2 LEU 12 -6.779 7.508 -10.788 99 H THR 13 H THR 13 -7.060 11.610 -11.782 100 HA THR 13 HA THR 13 -9.355 12.375 -13.431 101 HB THR 13 HB THR 13 -7.207 12.525 -15.110 102 HG1 THR 13 HG1 THR 13 -5.589 12.115 -13.776 103 1HG2 THR 13 1HG2 THR 13 -8.458 14.442 -15.014 104 2HG2 THR 13 2HG2 THR 13 -7.088 14.971 -14.037 105 3HG2 THR 13 3HG2 THR 13 -8.566 14.413 -13.254 106 H ASP 14 H ASP 14 -9.368 11.573 -15.717 107 HA ASP 14 HA ASP 14 -9.522 8.706 -15.740 108 1HB ASP 14 2HB ASP 14 -9.822 10.784 -17.919 109 2HB ASP 14 1HB ASP 14 -10.027 9.053 -18.197 110 H GLU 15 H GLU 15 -7.214 11.121 -16.804 111 HA GLU 15 HA GLU 15 -5.630 9.453 -18.483 112 1HB GLU 15 2HB GLU 15 -4.028 11.206 -18.465 113 2HB GLU 15 1HB GLU 15 -5.596 12.001 -18.362 114 1HG GLU 15 2HG GLU 15 -5.229 11.870 -15.781 115 2HG GLU 15 1HG GLU 15 -3.535 11.618 -16.201 116 H GLN 16 H GLN 16 -5.708 10.041 -15.021 117 HA GLN 16 HA GLN 16 -3.220 8.819 -14.363 118 1HB GLN 16 2HB GLN 16 -4.962 10.309 -12.944 119 2HB GLN 16 1HB GLN 16 -5.468 8.706 -12.412 120 1HG GLN 16 2HG GLN 16 -2.596 8.808 -12.430 121 2HG GLN 16 1HG GLN 16 -3.210 10.201 -11.539 122 1HE2 GLN 16 1HE2 GLN 16 -4.203 6.725 -11.822 123 2HE2 GLN 16 2HE2 GLN 16 -4.339 6.489 -10.146 124 H LYS 17 H LYS 17 -6.566 7.683 -14.592 125 HA LYS 17 HA LYS 17 -6.076 5.028 -13.675 126 1HB LYS 17 2HB LYS 17 -8.298 6.134 -15.415 127 2HB LYS 17 1HB LYS 17 -8.283 4.518 -14.712 128 1HG LYS 17 2HG LYS 17 -8.623 5.297 -12.558 129 2HG LYS 17 1HG LYS 17 -7.844 6.846 -12.883 130 1HD LYS 17 2HD LYS 17 -10.144 7.383 -12.719 131 2HD LYS 17 1HD LYS 17 -9.843 7.307 -14.454 132 1HE LYS 17 2HE LYS 17 -10.643 4.936 -14.442 133 2HE LYS 17 1HE LYS 17 -11.054 5.120 -12.737 134 1HZ LYS 17 1HZ LYS 17 -12.978 5.512 -14.124 135 2HZ LYS 17 2HZ LYS 17 -12.154 6.724 -14.984 136 3HZ LYS 17 3HZ LYS 17 -12.531 6.949 -13.342 137 H ASN 18 H ASN 18 -6.223 6.532 -16.895 138 HA ASN 18 HA ASN 18 -5.942 4.157 -18.414 139 1HB ASN 18 2HB ASN 18 -5.494 7.066 -18.965 140 2HB ASN 18 1HB ASN 18 -4.916 5.872 -20.127 141 1HD2 ASN 18 1HD2 ASN 18 -7.646 7.680 -19.238 142 2HD2 ASN 18 2HD2 ASN 18 -8.821 6.767 -20.056 143 H GLU 19 H GLU 19 -3.559 6.327 -16.966 144 HA GLU 19 HA GLU 19 -1.222 5.513 -18.217 145 1HB GLU 19 2HB GLU 19 -1.452 7.342 -16.484 146 2HB GLU 19 1HB GLU 19 -1.449 6.079 -15.252 147 1HG GLU 19 2HG GLU 19 0.814 6.523 -15.320 148 2HG GLU 19 1HG GLU 19 0.727 5.298 -16.586 149 H PHE 20 H PHE 20 -2.746 4.108 -15.321 150 HA PHE 20 HA PHE 20 -0.857 1.907 -15.237 151 1HB PHE 20 2HB PHE 20 -3.244 2.714 -13.604 152 2HB PHE 20 1HB PHE 20 -2.536 1.114 -13.426 153 HD1 PHE 20 HD1 PHE 20 -2.162 4.661 -12.751 154 HD2 PHE 20 HD2 PHE 20 -0.121 0.883 -12.737 155 HE1 PHE 20 HE1 PHE 20 -0.412 5.607 -11.286 156 HE2 PHE 20 HE2 PHE 20 1.623 1.826 -11.260 157 HZ PHE 20 HZ PHE 20 1.482 4.196 -10.534 158 H LYS 21 H LYS 21 -4.313 2.341 -15.986 159 HA LYS 21 HA LYS 21 -5.093 -0.292 -16.329 160 1HB LYS 21 2HB LYS 21 -6.638 1.629 -16.418 161 2HB LYS 21 1HB LYS 21 -5.988 2.070 -17.996 162 1HG LYS 21 2HG LYS 21 -6.787 -0.744 -17.862 163 2HG LYS 21 1HG LYS 21 -8.129 0.354 -17.541 164 1HD LYS 21 2HD LYS 21 -7.805 1.500 -19.623 165 2HD LYS 21 1HD LYS 21 -6.263 0.692 -19.901 166 1HE LYS 21 2HE LYS 21 -7.270 -1.337 -20.452 167 2HE LYS 21 1HE LYS 21 -8.744 -0.963 -19.561 168 1HZ LYS 21 1HZ LYS 21 -7.863 0.298 -22.102 169 2HZ LYS 21 2HZ LYS 21 -9.252 0.736 -21.227 170 3HZ LYS 21 3HZ LYS 21 -9.134 -0.810 -21.921 171 H ALA 22 H ALA 22 -3.283 1.752 -18.577 172 HA ALA 22 HA ALA 22 -3.512 0.155 -20.885 173 1HB ALA 22 1HB ALA 22 -1.505 1.296 -21.676 174 2HB ALA 22 2HB ALA 22 -1.135 1.827 -20.035 175 3HB ALA 22 3HB ALA 22 -2.559 2.454 -20.864 176 H ALA 23 H ALA 23 -0.861 0.253 -18.496 177 HA ALA 23 HA ALA 23 0.488 -2.041 -19.512 178 1HB ALA 23 1HB ALA 23 0.733 -1.232 -16.635 179 2HB ALA 23 2HB ALA 23 1.308 -0.126 -17.884 180 3HB ALA 23 3HB ALA 23 1.984 -1.750 -17.765 181 H PHE 24 H PHE 24 -1.964 -1.519 -17.042 182 HA PHE 24 HA PHE 24 -1.939 -4.052 -15.811 183 1HB PHE 24 2HB PHE 24 -3.205 -1.894 -15.132 184 2HB PHE 24 1HB PHE 24 -4.457 -2.456 -16.235 185 HD1 PHE 24 HD1 PHE 24 -5.472 -4.761 -15.874 186 HD2 PHE 24 HD2 PHE 24 -2.955 -2.847 -12.973 187 HE1 PHE 24 HE1 PHE 24 -6.327 -6.289 -14.118 188 HE2 PHE 24 HE2 PHE 24 -3.807 -4.367 -11.220 189 HZ PHE 24 HZ PHE 24 -5.498 -6.083 -11.787 190 H ASP 25 H ASP 25 -3.788 -2.830 -18.608 191 HA ASP 25 HA ASP 25 -5.341 -5.159 -19.014 192 1HB ASP 25 2HB ASP 25 -5.390 -2.688 -20.088 193 2HB ASP 25 1HB ASP 25 -4.614 -3.570 -21.405 194 H ILE 26 H ILE 26 -2.188 -4.205 -20.352 195 HA ILE 26 HA ILE 26 -2.036 -6.449 -22.139 196 HB ILE 26 HB ILE 26 0.329 -5.775 -22.461 197 1HG1 ILE 26 2HG1 ILE 26 -0.327 -3.659 -20.381 198 2HG1 ILE 26 1HG1 ILE 26 0.758 -5.025 -20.127 199 1HG2 ILE 26 1HG2 ILE 26 -1.584 -4.681 -23.670 200 2HG2 ILE 26 2HG2 ILE 26 -0.170 -3.640 -23.499 201 3HG2 ILE 26 3HG2 ILE 26 -1.569 -3.410 -22.448 202 1HD1 ILE 26 1HD1 ILE 26 1.185 -2.528 -21.669 203 2HD1 ILE 26 2HD1 ILE 26 1.831 -4.002 -22.391 204 3HD1 ILE 26 3HD1 ILE 26 2.342 -3.512 -20.776 205 H PHE 27 H PHE 27 -0.862 -5.804 -18.865 206 HA PHE 27 HA PHE 27 0.745 -8.185 -18.736 207 1HB PHE 27 2HB PHE 27 -0.253 -6.332 -16.561 208 2HB PHE 27 1HB PHE 27 0.847 -7.683 -16.282 209 HD1 PHE 27 HD1 PHE 27 2.400 -7.478 -18.916 210 HD2 PHE 27 HD2 PHE 27 1.235 -4.509 -16.032 211 HE1 PHE 27 HE1 PHE 27 4.302 -6.054 -19.613 212 HE2 PHE 27 HE2 PHE 27 3.139 -3.086 -16.742 213 HZ PHE 27 HZ PHE 27 4.670 -3.859 -18.526 214 H ILE 28 H ILE 28 -2.588 -7.377 -17.831 215 HA ILE 28 HA ILE 28 -2.951 -10.081 -16.720 216 HB ILE 28 HB ILE 28 -5.095 -9.361 -15.913 217 1HG1 ILE 28 2HG1 ILE 28 -5.507 -6.730 -16.445 218 2HG1 ILE 28 1HG1 ILE 28 -4.735 -7.227 -17.953 219 1HG2 ILE 28 1HG2 ILE 28 -2.926 -8.530 -14.801 220 2HG2 ILE 28 2HG2 ILE 28 -4.424 -7.709 -14.363 221 3HG2 ILE 28 3HG2 ILE 28 -3.310 -6.963 -15.509 222 1HD1 ILE 28 1HD1 ILE 28 -6.443 -8.686 -18.512 223 2HD1 ILE 28 2HD1 ILE 28 -7.359 -7.459 -17.635 224 3HD1 ILE 28 3HD1 ILE 28 -6.901 -8.961 -16.830 225 H GLN 29 H GLN 29 -2.867 -8.907 -19.733 226 HA GLN 29 HA GLN 29 -5.224 -9.508 -21.054 227 1HB GLN 29 2HB GLN 29 -3.337 -8.479 -22.187 228 2HB GLN 29 1HB GLN 29 -2.373 -9.938 -21.976 229 1HG GLN 29 2HG GLN 29 -3.874 -11.204 -23.407 230 2HG GLN 29 1HG GLN 29 -4.978 -9.832 -23.525 231 1HE2 GLN 29 1HE2 GLN 29 -3.784 -7.715 -24.372 232 2HE2 GLN 29 2HE2 GLN 29 -2.714 -7.959 -25.667 233 H ASP 30 H ASP 30 -2.646 -11.722 -20.041 234 HA ASP 30 HA ASP 30 -4.102 -14.013 -21.158 235 1HB ASP 30 2HB ASP 30 -1.341 -13.694 -19.986 236 2HB ASP 30 1HB ASP 30 -2.038 -15.276 -20.335 237 H ALA 31 H ALA 31 -4.230 -12.334 -18.297 238 HA ALA 31 HA ALA 31 -4.584 -14.722 -16.617 239 1HB ALA 31 1HB ALA 31 -3.212 -12.964 -15.630 240 2HB ALA 31 2HB ALA 31 -4.728 -13.113 -14.740 241 3HB ALA 31 3HB ALA 31 -4.501 -11.786 -15.881 242 H GLU 32 H GLU 32 -6.486 -15.095 -15.480 243 HA GLU 32 HA GLU 32 -8.871 -13.664 -16.505 244 1HB GLU 32 2HB GLU 32 -8.450 -16.596 -15.919 245 2HB GLU 32 1HB GLU 32 -10.063 -15.885 -15.983 246 1HG GLU 32 2HG GLU 32 -9.678 -15.118 -18.269 247 2HG GLU 32 1HG GLU 32 -8.016 -15.704 -18.215 248 H ASP 33 H ASP 33 -7.527 -12.688 -14.320 249 HA ASP 33 HA ASP 33 -9.395 -13.309 -12.112 250 1HB ASP 33 2HB ASP 33 -6.405 -12.921 -11.963 251 2HB ASP 33 1HB ASP 33 -7.456 -12.769 -10.555 252 H GLY 34 H GLY 34 -7.052 -10.945 -13.386 253 1HA GLY 34 2HA GLY 34 -7.761 -8.668 -13.848 254 2HA GLY 34 1HA GLY 34 -8.844 -8.777 -12.462 255 H CYS 35 H CYS 35 -5.442 -9.758 -12.744 256 HA CYS 35 HA CYS 35 -4.520 -7.528 -11.111 257 1HB CYS 35 2HB CYS 35 -4.826 -10.294 -10.048 258 2HB CYS 35 1HB CYS 35 -3.363 -9.416 -9.622 259 HG CYS 35 HG CYS 35 -6.247 -8.506 -8.863 260 H ILE 36 H ILE 36 -2.269 -7.301 -11.111 261 HA ILE 36 HA ILE 36 -0.919 -8.785 -13.264 262 HB ILE 36 HB ILE 36 0.688 -7.015 -13.358 263 1HG1 ILE 36 2HG1 ILE 36 -0.026 -5.059 -11.532 264 2HG1 ILE 36 1HG1 ILE 36 -0.204 -6.544 -10.596 265 1HG2 ILE 36 1HG2 ILE 36 -1.441 -6.476 -14.423 266 2HG2 ILE 36 2HG2 ILE 36 -0.756 -5.019 -13.703 267 3HG2 ILE 36 3HG2 ILE 36 -2.079 -5.863 -12.897 268 1HD1 ILE 36 1HD1 ILE 36 2.261 -5.881 -12.234 269 2HD1 ILE 36 2HD1 ILE 36 2.070 -7.207 -11.088 270 3HD1 ILE 36 3HD1 ILE 36 2.113 -5.545 -10.510 271 H SER 37 H SER 37 1.539 -9.081 -12.819 272 HA SER 37 HA SER 37 1.741 -10.624 -10.337 273 1HB SER 37 2HB SER 37 2.573 -11.208 -12.859 274 2HB SER 37 1HB SER 37 4.053 -10.543 -12.177 275 HG SER 37 HG SER 37 3.467 -12.911 -11.880 276 H THR 38 H THR 38 2.404 -9.566 -8.588 277 HA THR 38 HA THR 38 3.716 -7.110 -8.456 278 HB THR 38 HB THR 38 4.350 -7.741 -6.140 279 HG1 THR 38 HG1 THR 38 4.726 -9.790 -5.921 280 1HG2 THR 38 1HG2 THR 38 1.567 -8.445 -7.082 281 2HG2 THR 38 2HG2 THR 38 2.128 -6.896 -6.454 282 3HG2 THR 38 3HG2 THR 38 1.999 -8.288 -5.380 283 H LYS 39 H LYS 39 5.049 -10.381 -8.633 284 HA LYS 39 HA LYS 39 7.765 -9.712 -8.185 285 1HB LYS 39 2HB LYS 39 8.304 -11.873 -9.183 286 2HB LYS 39 1HB LYS 39 6.920 -12.040 -8.107 287 1HG LYS 39 2HG LYS 39 5.641 -11.482 -10.438 288 2HG LYS 39 1HG LYS 39 7.066 -12.316 -11.057 289 1HD LYS 39 2HD LYS 39 5.458 -13.455 -8.772 290 2HD LYS 39 1HD LYS 39 5.011 -13.764 -10.450 291 1HE LYS 39 2HE LYS 39 6.742 -15.195 -10.772 292 2HE LYS 39 1HE LYS 39 7.876 -14.164 -9.900 293 1HZ LYS 39 1HZ LYS 39 5.837 -15.916 -8.635 294 2HZ LYS 39 2HZ LYS 39 6.984 -14.962 -7.820 295 3HZ LYS 39 3HZ LYS 39 7.487 -16.279 -8.768 296 H GLU 40 H GLU 40 5.713 -9.460 -11.008 297 HA GLU 40 HA GLU 40 8.022 -8.751 -12.698 298 1HB GLU 40 2HB GLU 40 5.163 -9.466 -13.371 299 2HB GLU 40 1HB GLU 40 6.303 -8.831 -14.558 300 1HG GLU 40 2HG GLU 40 6.843 -11.289 -12.868 301 2HG GLU 40 1HG GLU 40 6.174 -11.352 -14.498 302 H LEU 41 H LEU 41 6.645 -7.031 -10.553 303 HA LEU 41 HA LEU 41 5.158 -4.953 -11.668 304 1HB LEU 41 2HB LEU 41 6.083 -5.474 -9.198 305 2HB LEU 41 1HB LEU 41 7.208 -4.220 -9.658 306 HG LEU 41 HG LEU 41 5.236 -3.403 -8.368 307 1HD1 LEU 41 1HD1 LEU 41 6.533 -2.013 -10.058 308 2HD1 LEU 41 2HD1 LEU 41 4.900 -1.450 -9.707 309 3HD1 LEU 41 3HD1 LEU 41 5.227 -2.336 -11.195 310 1HD2 LEU 41 1HD2 LEU 41 3.049 -3.302 -9.486 311 2HD2 LEU 41 2HD2 LEU 41 3.572 -4.980 -9.332 312 3HD2 LEU 41 3HD2 LEU 41 3.708 -4.153 -10.884 313 H GLY 42 H GLY 42 8.618 -5.581 -11.824 314 1HA GLY 42 2HA GLY 42 9.604 -3.076 -12.576 315 2HA GLY 42 1HA GLY 42 10.300 -4.616 -13.065 316 H LYS 43 H LYS 43 7.950 -5.549 -14.495 317 HA LYS 43 HA LYS 43 8.465 -4.460 -17.067 318 1HB LYS 43 2HB LYS 43 6.145 -6.154 -16.105 319 2HB LYS 43 1HB LYS 43 6.505 -5.806 -17.794 320 1HG LYS 43 2HG LYS 43 8.678 -6.940 -16.067 321 2HG LYS 43 1HG LYS 43 7.414 -8.020 -16.657 322 1HD LYS 43 2HD LYS 43 7.975 -6.715 -18.953 323 2HD LYS 43 1HD LYS 43 9.550 -6.599 -18.166 324 1HE LYS 43 2HE LYS 43 8.160 -9.248 -18.135 325 2HE LYS 43 1HE LYS 43 8.901 -8.720 -19.645 326 1HZ LYS 43 1HZ LYS 43 10.982 -8.373 -18.449 327 2HZ LYS 43 2HZ LYS 43 10.459 -9.984 -18.318 328 3HZ LYS 43 3HZ LYS 43 10.263 -8.916 -17.011 329 H VAL 44 H VAL 44 6.164 -3.645 -14.561 330 HA VAL 44 HA VAL 44 4.653 -1.907 -16.375 331 HB VAL 44 HB VAL 44 2.906 -2.054 -14.948 332 1HG1 VAL 44 1HG1 VAL 44 2.729 -4.097 -13.822 333 2HG1 VAL 44 2HG1 VAL 44 4.416 -4.068 -13.302 334 3HG1 VAL 44 3HG1 VAL 44 4.017 -4.415 -14.984 335 1HG2 VAL 44 1HG2 VAL 44 3.345 -2.065 -12.358 336 2HG2 VAL 44 2HG2 VAL 44 3.527 -0.564 -13.263 337 3HG2 VAL 44 3HG2 VAL 44 4.952 -1.504 -12.816 338 H MET 45 H MET 45 6.993 -1.790 -13.767 339 HA MET 45 HA MET 45 6.847 0.949 -13.120 340 1HB MET 45 2HB MET 45 9.027 -1.115 -12.948 341 2HB MET 45 1HB MET 45 9.377 0.575 -12.588 342 1HG MET 45 2HG MET 45 6.947 -0.597 -11.325 343 2HG MET 45 1HG MET 45 8.506 -1.136 -10.706 344 1HE MET 45 1HE MET 45 5.958 2.044 -10.744 345 2HE MET 45 2HE MET 45 6.288 1.969 -9.015 346 3HE MET 45 3HE MET 45 5.904 0.493 -9.897 347 H ARG 46 H ARG 46 8.639 -0.820 -15.626 348 HA ARG 46 HA ARG 46 10.103 1.404 -16.620 349 1HB ARG 46 2HB ARG 46 10.409 0.041 -18.670 350 2HB ARG 46 1HB ARG 46 10.776 -0.858 -17.199 351 1HG ARG 46 2HG ARG 46 8.854 -2.172 -17.357 352 2HG ARG 46 1HG ARG 46 8.002 -0.989 -18.346 353 1HD ARG 46 2HD ARG 46 8.588 -2.767 -19.821 354 2HD ARG 46 1HD ARG 46 9.708 -1.455 -20.171 355 HE ARG 46 HE ARG 46 11.042 -2.959 -18.314 356 1HH1 ARG 46 2HH1 ARG 46 9.470 -3.663 -21.353 357 2HH1 ARG 46 1HH1 ARG 46 10.532 -4.972 -21.741 358 1HH2 ARG 46 1HH2 ARG 46 12.423 -4.679 -18.847 359 2HH2 ARG 46 2HH2 ARG 46 12.198 -5.547 -20.328 360 H MET 47 H MET 47 6.857 0.192 -17.238 361 HA MET 47 HA MET 47 6.307 1.827 -19.525 362 1HB MET 47 2HB MET 47 4.806 0.003 -17.770 363 2HB MET 47 1HB MET 47 3.853 1.358 -18.373 364 1HG MET 47 2HG MET 47 3.660 -0.437 -19.975 365 2HG MET 47 1HG MET 47 4.685 0.808 -20.690 366 1HE MET 47 1HE MET 47 6.353 0.277 -21.989 367 2HE MET 47 2HE MET 47 7.698 -0.825 -21.707 368 3HE MET 47 3HE MET 47 7.498 0.591 -20.678 369 H LEU 48 H LEU 48 6.029 2.215 -16.037 370 HA LEU 48 HA LEU 48 4.537 4.684 -16.136 371 1HB LEU 48 2HB LEU 48 5.858 3.036 -14.041 372 2HB LEU 48 1HB LEU 48 5.605 4.729 -13.687 373 HG LEU 48 HG LEU 48 3.233 4.493 -13.801 374 1HD1 LEU 48 1HD1 LEU 48 3.915 2.084 -15.381 375 2HD1 LEU 48 2HD1 LEU 48 2.528 3.163 -15.518 376 3HD1 LEU 48 3HD1 LEU 48 2.542 1.894 -14.291 377 1HD2 LEU 48 1HD2 LEU 48 3.267 2.012 -12.462 378 2HD2 LEU 48 2HD2 LEU 48 3.391 3.614 -11.729 379 3HD2 LEU 48 3HD2 LEU 48 4.852 2.727 -12.163 380 H GLY 49 H GLY 49 7.918 3.733 -16.049 381 1HA GLY 49 2HA GLY 49 9.506 5.312 -17.092 382 2HA GLY 49 1HA GLY 49 8.710 6.587 -16.176 383 H GLN 50 H GLN 50 9.408 3.416 -14.810 384 HA GLN 50 HA GLN 50 11.622 4.569 -13.219 385 1HB GLN 50 2HB GLN 50 9.532 2.711 -12.067 386 2HB GLN 50 1HB GLN 50 10.787 3.591 -11.199 387 1HG GLN 50 2HG GLN 50 8.572 4.955 -12.755 388 2HG GLN 50 1HG GLN 50 8.476 4.610 -11.030 389 1HE2 GLN 50 1HE2 GLN 50 8.912 7.201 -12.833 390 2HE2 GLN 50 2HE2 GLN 50 10.145 8.010 -11.994 391 H ASN 51 H ASN 51 13.116 3.000 -12.365 392 HA ASN 51 HA ASN 51 12.924 0.268 -13.416 393 1HB ASN 51 2HB ASN 51 14.179 1.867 -15.056 394 2HB ASN 51 1HB ASN 51 15.488 1.768 -13.879 395 1HD2 ASN 51 1HD2 ASN 51 16.788 -0.105 -13.926 396 2HD2 ASN 51 2HD2 ASN 51 16.446 -1.472 -14.872 397 HA PRO 52 HA PRO 52 14.882 0.535 -9.222 398 1HB PRO 52 2HB PRO 52 12.927 -0.806 -7.863 399 2HB PRO 52 1HB PRO 52 12.894 0.939 -8.154 400 1HG PRO 52 2HG PRO 52 11.282 -1.199 -9.391 401 2HG PRO 52 1HG PRO 52 10.917 0.521 -9.204 402 1HD PRO 52 2HD PRO 52 11.847 -0.792 -11.566 403 2HD PRO 52 1HD PRO 52 11.634 0.957 -11.325 404 H THR 53 H THR 53 14.567 -1.654 -7.526 405 HA THR 53 HA THR 53 15.698 -3.876 -9.122 406 HB THR 53 HB THR 53 17.053 -4.436 -7.297 407 HG1 THR 53 HG1 THR 53 16.364 -4.325 -5.314 408 1HG2 THR 53 1HG2 THR 53 18.060 -2.374 -6.445 409 2HG2 THR 53 2HG2 THR 53 16.650 -1.455 -6.966 410 3HG2 THR 53 3HG2 THR 53 17.695 -2.218 -8.164 411 HA PRO 54 HA PRO 54 12.398 -6.527 -7.866 412 1HB PRO 54 2HB PRO 54 13.604 -8.806 -6.930 413 2HB PRO 54 1HB PRO 54 13.504 -8.366 -8.643 414 1HG PRO 54 2HG PRO 54 15.818 -8.189 -6.782 415 2HG PRO 54 1HG PRO 54 15.790 -8.499 -8.525 416 1HD PRO 54 2HD PRO 54 16.433 -6.056 -7.347 417 2HD PRO 54 1HD PRO 54 15.918 -6.260 -9.037 418 H GLU 55 H GLU 55 14.863 -6.021 -5.408 419 HA GLU 55 HA GLU 55 13.168 -6.850 -3.197 420 1HB GLU 55 2HB GLU 55 15.862 -5.473 -3.306 421 2HB GLU 55 1HB GLU 55 15.034 -5.881 -1.804 422 1HG GLU 55 2HG GLU 55 15.671 -8.039 -1.950 423 2HG GLU 55 1HG GLU 55 15.090 -8.157 -3.611 424 H GLU 56 H GLU 56 14.203 -3.856 -4.761 425 HA GLU 56 HA GLU 56 13.097 -2.069 -2.828 426 1HB GLU 56 2HB GLU 56 14.883 -1.570 -4.615 427 2HB GLU 56 1HB GLU 56 13.531 -1.406 -5.735 428 1HG GLU 56 2HG GLU 56 12.545 0.347 -4.369 429 2HG GLU 56 1HG GLU 56 13.780 0.124 -3.130 430 H LEU 57 H LEU 57 11.948 -3.265 -5.993 431 HA LEU 57 HA LEU 57 9.529 -1.798 -6.003 432 1HB LEU 57 2HB LEU 57 8.877 -3.108 -7.839 433 2HB LEU 57 1HB LEU 57 10.608 -2.919 -7.976 434 HG LEU 57 HG LEU 57 10.640 -5.277 -6.771 435 1HD1 LEU 57 1HD1 LEU 57 8.543 -6.061 -6.402 436 2HD1 LEU 57 2HD1 LEU 57 8.472 -6.335 -8.142 437 3HD1 LEU 57 3HD1 LEU 57 7.817 -4.848 -7.458 438 1HD2 LEU 57 1HD2 LEU 57 10.011 -4.672 -9.668 439 2HD2 LEU 57 2HD2 LEU 57 10.401 -6.301 -9.116 440 3HD2 LEU 57 3HD2 LEU 57 11.584 -5.006 -8.945 441 H GLN 58 H GLN 58 10.378 -4.965 -4.658 442 HA GLN 58 HA GLN 58 7.730 -5.832 -4.133 443 1HB GLN 58 2HB GLN 58 9.898 -7.216 -4.077 444 2HB GLN 58 1HB GLN 58 10.103 -6.592 -2.440 445 1HG GLN 58 2HG GLN 58 8.938 -8.729 -2.329 446 2HG GLN 58 1HG GLN 58 7.820 -7.443 -1.878 447 1HE2 GLN 58 1HE2 GLN 58 5.874 -7.345 -3.048 448 2HE2 GLN 58 2HE2 GLN 58 5.584 -8.180 -4.497 449 H GLU 59 H GLU 59 9.881 -3.652 -2.413 450 HA GLU 59 HA GLU 59 8.591 -3.719 0.118 451 1HB GLU 59 2HB GLU 59 10.431 -1.798 -1.260 452 2HB GLU 59 1HB GLU 59 9.605 -1.288 0.211 453 1HG GLU 59 2HG GLU 59 10.602 -3.002 1.505 454 2HG GLU 59 1HG GLU 59 11.093 -3.911 0.075 455 H MET 60 H MET 60 8.281 -1.405 -2.602 456 HA MET 60 HA MET 60 6.191 0.101 -1.423 457 1HB MET 60 2HB MET 60 5.764 0.947 -3.730 458 2HB MET 60 1HB MET 60 7.459 1.051 -3.257 459 1HG MET 60 2HG MET 60 8.038 -0.870 -4.564 460 2HG MET 60 1HG MET 60 6.345 -1.289 -4.820 461 1HE MET 60 1HE MET 60 5.896 -0.811 -7.827 462 2HE MET 60 2HE MET 60 7.066 -1.744 -6.899 463 3HE MET 60 3HE MET 60 7.623 -0.666 -8.176 464 H ILE 61 H ILE 61 6.213 -2.808 -3.388 465 HA ILE 61 HA ILE 61 3.424 -2.882 -3.960 466 HB ILE 61 HB ILE 61 5.513 -5.071 -3.866 467 1HG1 ILE 61 2HG1 ILE 61 5.837 -3.388 -5.621 468 2HG1 ILE 61 1HG1 ILE 61 5.304 -4.907 -6.338 469 1HG2 ILE 61 1HG2 ILE 61 3.457 -6.208 -3.519 470 2HG2 ILE 61 2HG2 ILE 61 3.735 -6.305 -5.257 471 3HG2 ILE 61 3HG2 ILE 61 2.586 -5.134 -4.614 472 1HD1 ILE 61 1HD1 ILE 61 4.026 -2.305 -6.405 473 2HD1 ILE 61 2HD1 ILE 61 2.939 -3.511 -5.716 474 3HD1 ILE 61 3HD1 ILE 61 3.629 -3.759 -7.319 475 H ASP 62 H ASP 62 5.429 -4.323 -1.401 476 HA ASP 62 HA ASP 62 3.390 -5.774 -0.101 477 1HB ASP 62 2HB ASP 62 5.937 -5.844 0.318 478 2HB ASP 62 1HB ASP 62 5.666 -4.456 1.372 479 H GLU 63 H GLU 63 4.443 -2.406 0.189 480 HA GLU 63 HA GLU 63 2.812 -1.761 2.442 481 1HB GLU 63 2HB GLU 63 4.149 -0.046 0.344 482 2HB GLU 63 1HB GLU 63 3.232 0.623 1.694 483 1HG GLU 63 2HG GLU 63 4.728 -0.294 3.302 484 2HG GLU 63 1HG GLU 63 5.485 -1.349 2.109 485 H VAL 64 H VAL 64 2.388 -1.285 -1.081 486 HA VAL 64 HA VAL 64 -0.156 0.000 -0.806 487 HB VAL 64 HB VAL 64 1.291 0.319 -2.789 488 1HG1 VAL 64 1HG1 VAL 64 1.469 -1.419 -4.478 489 2HG1 VAL 64 2HG1 VAL 64 0.451 -2.500 -3.525 490 3HG1 VAL 64 3HG1 VAL 64 2.054 -2.053 -2.941 491 1HG2 VAL 64 1HG2 VAL 64 -1.231 -0.962 -3.799 492 2HG2 VAL 64 2HG2 VAL 64 -0.493 0.571 -4.265 493 3HG2 VAL 64 3HG2 VAL 64 -1.346 0.435 -2.729 494 H ASP 65 H ASP 65 0.860 -3.360 -1.237 495 HA ASP 65 HA ASP 65 -1.777 -4.365 -1.792 496 1HB ASP 65 2HB ASP 65 0.725 -5.436 -2.044 497 2HB ASP 65 1HB ASP 65 0.167 -6.231 -0.575 498 H GLU 66 H GLU 66 -3.336 -4.132 -0.329 499 HA GLU 66 HA GLU 66 -2.893 -3.936 2.490 500 1HB GLU 66 2HB GLU 66 -5.501 -4.573 1.086 501 2HB GLU 66 1HB GLU 66 -5.302 -3.903 2.705 502 1HG GLU 66 2HG GLU 66 -4.155 -1.918 1.668 503 2HG GLU 66 1HG GLU 66 -4.575 -2.570 0.084 504 H ASP 67 H ASP 67 -4.102 -6.499 0.364 505 HA ASP 67 HA ASP 67 -4.363 -8.392 2.550 506 1HB ASP 67 2HB ASP 67 -4.838 -10.032 0.659 507 2HB ASP 67 1HB ASP 67 -5.971 -8.694 0.831 508 H GLY 68 H GLY 68 -2.086 -7.777 -0.089 509 1HA GLY 68 2HA GLY 68 0.132 -8.402 -0.301 510 2HA GLY 68 1HA GLY 68 0.032 -9.152 1.289 511 H SER 69 H SER 69 -1.782 -9.720 -1.716 512 HA SER 69 HA SER 69 -1.468 -12.599 -1.416 513 1HB SER 69 2HB SER 69 -2.945 -12.697 -3.421 514 2HB SER 69 1HB SER 69 -3.642 -11.773 -2.094 515 HG SER 69 HG SER 69 -3.588 -10.062 -3.317 516 H GLY 70 H GLY 70 0.260 -10.119 -3.002 517 1HA GLY 70 2HA GLY 70 2.250 -10.395 -4.216 518 2HA GLY 70 1HA GLY 70 1.833 -12.084 -4.488 519 H THR 71 H THR 71 -0.643 -9.739 -5.034 520 HA THR 71 HA THR 71 -0.109 -9.588 -7.916 521 HB THR 71 HB THR 71 -2.371 -10.290 -8.488 522 HG1 THR 71 HG1 THR 71 -3.804 -10.124 -6.982 523 1HG2 THR 71 1HG2 THR 71 -2.232 -12.663 -7.869 524 2HG2 THR 71 2HG2 THR 71 -1.070 -12.271 -6.600 525 3HG2 THR 71 3HG2 THR 71 -0.637 -12.041 -8.294 526 H VAL 72 H VAL 72 -0.579 -7.608 -8.710 527 HA VAL 72 HA VAL 72 -1.797 -5.682 -6.857 528 HB VAL 72 HB VAL 72 -0.605 -4.974 -9.531 529 1HG1 VAL 72 1HG1 VAL 72 -1.935 -3.316 -8.170 530 2HG1 VAL 72 2HG1 VAL 72 -0.271 -2.823 -8.482 531 3HG1 VAL 72 3HG1 VAL 72 -0.718 -3.469 -6.902 532 1HG2 VAL 72 1HG2 VAL 72 1.118 -6.287 -8.397 533 2HG2 VAL 72 2HG2 VAL 72 0.848 -5.394 -6.898 534 3HG2 VAL 72 3HG2 VAL 72 1.538 -4.574 -8.300 535 H ASP 73 H ASP 73 -3.850 -5.159 -7.023 536 HA ASP 73 HA ASP 73 -5.386 -5.832 -9.414 537 1HB ASP 73 2HB ASP 73 -6.147 -5.973 -6.878 538 2HB ASP 73 1HB ASP 73 -6.524 -4.270 -7.122 539 H PHE 74 H PHE 74 -6.892 -4.074 -10.284 540 HA PHE 74 HA PHE 74 -5.357 -1.915 -11.224 541 1HB PHE 74 2HB PHE 74 -7.455 -2.846 -12.300 542 2HB PHE 74 1HB PHE 74 -8.375 -1.924 -11.109 543 HD1 PHE 74 HD1 PHE 74 -5.191 -1.084 -12.868 544 HD2 PHE 74 HD2 PHE 74 -9.343 -0.154 -12.310 545 HE1 PHE 74 HE1 PHE 74 -4.919 0.956 -14.243 546 HE2 PHE 74 HE2 PHE 74 -9.074 1.888 -13.688 547 HZ PHE 74 HZ PHE 74 -6.863 2.444 -14.656 548 H ASP 75 H ASP 75 -7.344 -2.267 -8.361 549 HA ASP 75 HA ASP 75 -7.557 0.525 -7.736 550 1HB ASP 75 2HB ASP 75 -7.761 -1.900 -5.927 551 2HB ASP 75 1HB ASP 75 -8.228 -0.256 -5.491 552 H GLU 76 H GLU 76 -5.427 -2.130 -6.670 553 HA GLU 76 HA GLU 76 -3.801 -0.569 -4.926 554 1HB GLU 76 2HB GLU 76 -3.068 -3.107 -6.419 555 2HB GLU 76 1HB GLU 76 -2.228 -2.446 -5.018 556 1HG GLU 76 2HG GLU 76 -4.106 -2.849 -3.587 557 2HG GLU 76 1HG GLU 76 -5.161 -3.195 -4.956 558 H PHE 77 H PHE 77 -3.768 -1.255 -8.359 559 HA PHE 77 HA PHE 77 -1.168 -0.379 -9.011 560 1HB PHE 77 2HB PHE 77 -3.209 -1.547 -10.373 561 2HB PHE 77 1HB PHE 77 -3.343 0.097 -10.969 562 HD1 PHE 77 HD1 PHE 77 -2.810 -0.748 -13.205 563 HD2 PHE 77 HD2 PHE 77 0.001 -1.092 -9.960 564 HE1 PHE 77 HE1 PHE 77 -0.982 -1.187 -14.817 565 HE2 PHE 77 HE2 PHE 77 1.818 -1.514 -11.582 566 HZ PHE 77 HZ PHE 77 1.330 -1.571 -14.012 567 H LEU 78 H LEU 78 -4.302 1.324 -9.128 568 HA LEU 78 HA LEU 78 -3.158 3.843 -9.883 569 1HB LEU 78 2HB LEU 78 -5.853 2.891 -9.037 570 2HB LEU 78 1HB LEU 78 -5.516 4.610 -8.942 571 HG LEU 78 HG LEU 78 -5.223 4.779 -11.297 572 1HD1 LEU 78 1HD1 LEU 78 -5.070 2.878 -12.787 573 2HD1 LEU 78 2HD1 LEU 78 -5.365 1.757 -11.459 574 3HD1 LEU 78 3HD1 LEU 78 -3.864 2.680 -11.517 575 1HD2 LEU 78 1HD2 LEU 78 -7.560 4.621 -10.668 576 2HD2 LEU 78 2HD2 LEU 78 -7.477 2.859 -10.649 577 3HD2 LEU 78 3HD2 LEU 78 -7.334 3.733 -12.175 578 H VAL 79 H VAL 79 -3.918 2.286 -6.826 579 HA VAL 79 HA VAL 79 -3.831 4.557 -5.144 580 HB VAL 79 HB VAL 79 -3.568 1.606 -4.767 581 1HG1 VAL 79 1HG1 VAL 79 -3.078 1.951 -2.341 582 2HG1 VAL 79 2HG1 VAL 79 -2.743 3.648 -2.683 583 3HG1 VAL 79 3HG1 VAL 79 -1.725 2.388 -3.385 584 1HG2 VAL 79 1HG2 VAL 79 -5.483 1.902 -3.419 585 2HG2 VAL 79 2HG2 VAL 79 -5.704 3.074 -4.719 586 3HG2 VAL 79 3HG2 VAL 79 -5.131 3.608 -3.138 587 H MET 80 H MET 80 -1.314 2.217 -6.071 588 HA MET 80 HA MET 80 0.874 3.099 -4.687 589 1HB MET 80 2HB MET 80 0.451 1.425 -6.878 590 2HB MET 80 1HB MET 80 1.594 2.631 -7.467 591 1HG MET 80 2HG MET 80 2.934 2.220 -5.339 592 2HG MET 80 1HG MET 80 1.890 0.827 -5.055 593 1HE MET 80 1HE MET 80 1.316 -0.165 -8.104 594 2HE MET 80 2HE MET 80 1.505 -1.040 -6.587 595 3HE MET 80 3HE MET 80 2.468 -1.502 -7.987 596 H MET 81 H MET 81 -0.612 4.652 -7.504 597 HA MET 81 HA MET 81 1.481 6.503 -8.046 598 1HB MET 81 2HB MET 81 -0.355 6.019 -9.642 599 2HB MET 81 1HB MET 81 -1.489 6.822 -8.561 600 1HG MET 81 2HG MET 81 -0.853 8.871 -9.268 601 2HG MET 81 1HG MET 81 0.856 8.477 -9.093 602 1HE MET 81 1HE MET 81 2.452 7.913 -11.150 603 2HE MET 81 2HE MET 81 1.834 6.715 -12.284 604 3HE MET 81 3HE MET 81 1.708 6.424 -10.552 605 H VAL 82 H VAL 82 -1.643 6.974 -6.367 606 HA VAL 82 HA VAL 82 -1.034 9.571 -5.403 607 HB VAL 82 HB VAL 82 -2.952 9.245 -3.871 608 1HG1 VAL 82 1HG1 VAL 82 -3.499 9.971 -6.086 609 2HG1 VAL 82 2HG1 VAL 82 -4.635 8.679 -5.701 610 3HG1 VAL 82 3HG1 VAL 82 -3.254 8.355 -6.749 611 1HG2 VAL 82 1HG2 VAL 82 -3.174 6.467 -5.052 612 2HG2 VAL 82 2HG2 VAL 82 -4.119 7.162 -3.737 613 3HG2 VAL 82 3HG2 VAL 82 -2.418 6.775 -3.489 614 H ARG 83 H ARG 83 -0.373 6.361 -4.163 615 HA ARG 83 HA ARG 83 0.168 6.867 -1.476 616 1HB ARG 83 2HB ARG 83 1.345 4.918 -3.448 617 2HB ARG 83 1HB ARG 83 1.936 4.996 -1.789 618 1HG ARG 83 2HG ARG 83 -0.571 4.820 -1.120 619 2HG ARG 83 1HG ARG 83 -0.816 4.255 -2.773 620 1HD ARG 83 2HD ARG 83 -0.479 2.323 -1.357 621 2HD ARG 83 1HD ARG 83 0.934 2.512 -2.382 622 HE ARG 83 HE ARG 83 0.808 3.215 0.495 623 1HH1 ARG 83 2HH1 ARG 83 2.648 2.452 -2.393 624 2HH1 ARG 83 1HH1 ARG 83 4.149 2.341 -1.546 625 1HH2 ARG 83 1HH2 ARG 83 2.798 3.070 1.561 626 2HH2 ARG 83 2HH2 ARG 83 4.238 2.691 0.676 627 H CYS 84 H CYS 84 2.165 7.422 -4.339 628 HA CYS 84 HA CYS 84 4.469 8.260 -2.785 629 1HB CYS 84 2HB CYS 84 4.475 7.138 -5.133 630 2HB CYS 84 1HB CYS 84 4.140 8.761 -5.732 631 HG CYS 84 HG CYS 84 6.832 7.974 -5.242 632 H MET 85 H MET 85 2.032 9.819 -4.877 633 HA MET 85 HA MET 85 3.015 12.455 -4.698 634 1HB MET 85 2HB MET 85 1.201 11.587 -6.265 635 2HB MET 85 1HB MET 85 0.085 11.738 -4.909 636 1HG MET 85 2HG MET 85 0.553 14.116 -4.722 637 2HG MET 85 1HG MET 85 1.801 14.004 -5.962 638 1HE MET 85 1HE MET 85 0.290 16.134 -6.595 639 2HE MET 85 2HE MET 85 -1.170 15.767 -5.681 640 3HE MET 85 3HE MET 85 -1.271 16.030 -7.420 641 H LYS 86 H LYS 86 0.205 11.091 -2.949 642 HA LYS 86 HA LYS 86 0.737 13.017 -0.768 643 1HB LYS 86 2HB LYS 86 -1.505 13.116 -1.972 644 2HB LYS 86 1HB LYS 86 -1.854 11.547 -1.246 645 1HG LYS 86 2HG LYS 86 -0.815 13.374 0.751 646 2HG LYS 86 1HG LYS 86 -2.215 14.078 -0.059 647 1HD LYS 86 2HD LYS 86 -2.404 11.206 0.732 648 2HD LYS 86 1HD LYS 86 -2.472 12.404 2.026 649 1HE LYS 86 2HE LYS 86 -4.732 12.167 1.395 650 2HE LYS 86 1HE LYS 86 -4.218 13.613 0.529 651 1HZ LYS 86 1HZ LYS 86 -4.082 12.468 -1.468 652 2HZ LYS 86 2HZ LYS 86 -5.476 11.812 -0.754 653 3HZ LYS 86 3HZ LYS 86 -4.017 10.944 -0.724 654 H ASP 87 H ASP 87 1.108 12.303 1.235 655 HA ASP 87 HA ASP 87 0.372 9.714 2.205 656 1HB ASP 87 2HB ASP 87 2.401 9.344 0.597 657 2HB ASP 87 1HB ASP 87 3.350 10.027 1.915 658 H ASP 88 H ASP 88 2.689 12.397 2.492 659 HA ASP 88 HA ASP 88 2.440 12.277 5.435 660 1HB ASP 88 2HB ASP 88 4.501 13.556 3.630 661 2HB ASP 88 1HB ASP 88 4.412 13.877 5.362 662 H SER 89 HN SER 89 2.504 14.617 2.731 663 HA SER 89 HA SER 89 0.624 16.308 4.265 664 1HB SER 89 2HB SER 89 3.136 17.139 2.824 665 2HB SER 89 1HB SER 89 1.806 18.272 3.054 666 HG SER 89 HG SER 89 2.684 18.543 4.949
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