NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
10500 | 1pul | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ASN 18 H ASN 18 -1.658 -10.335 8.156 2 HA ASN 18 HA ASN 18 -3.195 -10.877 6.579 3 1HB ASN 18 2HB ASN 18 -4.402 -12.458 8.853 4 2HB ASN 18 1HB ASN 18 -5.007 -12.513 7.202 5 1HD2 ASN 18 1HD2 ASN 18 -3.887 -14.629 8.845 6 2HD2 ASN 18 2HD2 ASN 18 -2.536 -15.258 7.965 7 H TRP 19 H TRP 19 -4.066 -8.946 6.077 8 HA TRP 19 HA TRP 19 -6.122 -7.747 7.630 9 1HB TRP 19 2HB TRP 19 -6.313 -6.185 5.700 10 2HB TRP 19 1HB TRP 19 -4.680 -6.331 6.327 11 HD1 TRP 19 HD1 TRP 19 -4.769 -9.303 4.376 12 HE1 TRP 19 HE1 TRP 19 -3.989 -8.928 1.960 13 HE3 TRP 19 HE3 TRP 19 -5.119 -4.234 4.216 14 HZ2 TRP 19 HZ2 TRP 19 -3.570 -6.744 0.205 15 HZ3 TRP 19 HZ3 TRP 19 -4.516 -3.055 2.137 16 HH2 TRP 19 HH2 TRP 19 -3.751 -4.292 0.169 17 H ASP 20 H ASP 20 -8.003 -8.703 7.848 18 HA ASP 20 HA ASP 20 -9.096 -10.573 6.010 19 1HB ASP 20 2HB ASP 20 -9.550 -10.653 8.433 20 2HB ASP 20 1HB ASP 20 -10.420 -9.127 8.320 21 H ASP 21 H ASP 21 -11.177 -10.369 4.926 22 HA ASP 21 HA ASP 21 -11.424 -8.377 3.079 23 1HB ASP 21 2HB ASP 21 -12.737 -10.421 2.968 24 2HB ASP 21 1HB ASP 21 -13.646 -9.955 4.391 25 H ALA 22 H ALA 22 -13.149 -8.567 6.151 26 HA ALA 22 HA ALA 22 -14.347 -5.982 5.884 27 1HB ALA 22 1HB ALA 22 -15.183 -6.394 8.131 28 2HB ALA 22 2HB ALA 22 -14.107 -7.783 8.289 29 3HB ALA 22 3HB ALA 22 -15.415 -7.810 7.106 30 H ASP 23 H ASP 23 -11.594 -7.334 7.573 31 HA ASP 23 HA ASP 23 -10.942 -5.199 9.246 32 1HB ASP 23 2HB ASP 23 -9.950 -7.414 9.484 33 2HB ASP 23 1HB ASP 23 -9.110 -7.223 7.948 34 H VAL 24 H VAL 24 -9.987 -5.823 5.883 35 HA VAL 24 HA VAL 24 -8.150 -3.788 5.490 36 HB VAL 24 HB VAL 24 -10.276 -4.719 3.547 37 1HG1 VAL 24 1HG1 VAL 24 -7.697 -3.241 3.022 38 2HG1 VAL 24 2HG1 VAL 24 -9.324 -2.576 2.870 39 3HG1 VAL 24 3HG1 VAL 24 -8.796 -3.870 1.794 40 1HG2 VAL 24 1HG2 VAL 24 -7.418 -5.615 3.902 41 2HG2 VAL 24 2HG2 VAL 24 -8.529 -6.171 2.650 42 3HG2 VAL 24 3HG2 VAL 24 -8.856 -6.535 4.344 43 H LYS 25 H LYS 25 -11.684 -3.633 5.302 44 HA LYS 25 HA LYS 25 -11.801 -0.863 4.692 45 1HB LYS 25 2HB LYS 25 -13.860 -2.738 5.868 46 2HB LYS 25 1HB LYS 25 -14.198 -1.072 5.418 47 1HG LYS 25 2HG LYS 25 -13.192 -3.172 3.512 48 2HG LYS 25 1HG LYS 25 -14.890 -2.737 3.718 49 1HD LYS 25 2HD LYS 25 -14.394 -0.446 3.035 50 2HD LYS 25 1HD LYS 25 -12.685 -0.854 2.867 51 1HE LYS 25 2HE LYS 25 -13.192 -2.404 1.084 52 2HE LYS 25 1HE LYS 25 -14.920 -2.138 1.303 53 1HZ LYS 25 1HZ LYS 25 -13.906 -0.897 -0.585 54 2HZ LYS 25 2HZ LYS 25 -13.017 0.009 0.540 55 3HZ LYS 25 3HZ LYS 25 -14.709 0.088 0.539 56 H LYS 26 H LYS 26 -11.933 -2.725 7.686 57 HA LYS 26 HA LYS 26 -12.581 -0.679 9.471 58 1HB LYS 26 2HB LYS 26 -10.856 -3.125 9.901 59 2HB LYS 26 1HB LYS 26 -11.476 -2.105 11.191 60 1HG LYS 26 2HG LYS 26 -13.265 -3.490 9.216 61 2HG LYS 26 1HG LYS 26 -12.743 -4.236 10.728 62 1HD LYS 26 2HD LYS 26 -14.157 -1.579 10.570 63 2HD LYS 26 1HD LYS 26 -14.984 -3.118 10.825 64 1HE LYS 26 2HE LYS 26 -13.599 -3.483 12.839 65 2HE LYS 26 1HE LYS 26 -12.875 -1.894 12.598 66 1HZ LYS 26 1HZ LYS 26 -15.791 -2.289 12.913 67 2HZ LYS 26 2HZ LYS 26 -14.916 -0.839 13.029 68 3HZ LYS 26 3HZ LYS 26 -14.761 -2.026 14.230 69 H ARG 27 H ARG 27 -9.349 -1.899 8.588 70 HA ARG 27 HA ARG 27 -7.947 -0.027 10.174 71 1HB ARG 27 2HB ARG 27 -7.189 -1.934 8.005 72 2HB ARG 27 1HB ARG 27 -6.030 -0.703 8.486 73 1HG ARG 27 2HG ARG 27 -6.071 -1.505 10.770 74 2HG ARG 27 1HG ARG 27 -7.313 -2.688 10.355 75 1HD ARG 27 2HD ARG 27 -5.833 -3.976 9.090 76 2HD ARG 27 1HD ARG 27 -4.677 -2.654 8.926 77 HE ARG 27 HE ARG 27 -4.126 -2.983 11.290 78 1HH1 ARG 27 1HH1 ARG 27 -5.856 -5.574 9.687 79 2HH1 ARG 27 2HH1 ARG 27 -5.271 -6.790 10.786 80 1HH2 ARG 27 1HH2 ARG 27 -3.348 -4.582 12.709 81 2HH2 ARG 27 2HH2 ARG 27 -3.840 -6.240 12.492 82 H TRP 28 H TRP 28 -8.918 0.017 6.773 83 HA TRP 28 HA TRP 28 -7.558 2.411 6.090 84 1HB TRP 28 2HB TRP 28 -9.704 0.745 4.897 85 2HB TRP 28 1HB TRP 28 -9.632 2.419 4.365 86 HD1 TRP 28 HD1 TRP 28 -6.365 0.550 5.097 87 HE1 TRP 28 HE1 TRP 28 -5.104 0.217 2.870 88 HE3 TRP 28 HE3 TRP 28 -9.993 2.113 1.854 89 HZ2 TRP 28 HZ2 TRP 28 -5.595 0.550 0.113 90 HZ3 TRP 28 HZ3 TRP 28 -9.521 2.064 -0.559 91 HH2 TRP 28 HH2 TRP 28 -7.369 1.298 -1.410 92 H ASP 29 H ASP 29 -10.934 1.785 6.958 93 HA ASP 29 HA ASP 29 -11.933 4.370 6.756 94 1HB ASP 29 2HB ASP 29 -13.439 2.536 6.904 95 2HB ASP 29 1HB ASP 29 -12.772 2.025 8.450 96 H ALA 30 H ALA 30 -10.511 2.744 9.549 97 HA ALA 30 HA ALA 30 -11.014 4.449 11.610 98 1HB ALA 30 1HB ALA 30 -9.777 2.373 11.859 99 2HB ALA 30 2HB ALA 30 -8.904 3.711 12.607 100 3HB ALA 30 3HB ALA 30 -8.388 3.085 11.040 101 H PHE 31 H PHE 31 -8.540 4.890 9.116 102 HA PHE 31 HA PHE 31 -7.170 7.038 10.264 103 1HB PHE 31 2HB PHE 31 -7.578 6.296 7.370 104 2HB PHE 31 1HB PHE 31 -6.514 7.596 7.891 105 HD1 PHE 31 HD1 PHE 31 -4.869 6.794 9.886 106 HD2 PHE 31 HD2 PHE 31 -6.567 4.317 6.874 107 HE1 PHE 31 HE1 PHE 31 -3.029 5.185 10.178 108 HE2 PHE 31 HE2 PHE 31 -4.737 2.701 7.163 109 HZ PHE 31 HZ PHE 31 -2.965 3.133 8.817 110 H THR 32 H THR 32 -10.071 7.015 8.230 111 HA THR 32 HA THR 32 -10.132 9.887 8.026 112 HB THR 32 HB THR 32 -12.237 7.844 7.290 113 HG1 THR 32 HG1 THR 32 -10.483 9.293 5.571 114 1HG2 THR 32 1HG2 THR 32 -12.019 10.780 6.609 115 2HG2 THR 32 2HG2 THR 32 -13.248 10.029 7.629 116 3HG2 THR 32 3HG2 THR 32 -13.182 9.660 5.905 117 H LYS 33 H LYS 33 -12.002 7.420 9.804 118 HA LYS 33 HA LYS 33 -13.887 9.118 10.953 119 1HB LYS 33 2HB LYS 33 -12.757 6.466 11.711 120 2HB LYS 33 1HB LYS 33 -13.734 7.323 12.890 121 1HG LYS 33 2HG LYS 33 -15.535 7.469 11.150 122 2HG LYS 33 1HG LYS 33 -14.559 6.377 10.161 123 1HD LYS 33 2HD LYS 33 -14.670 4.666 11.848 124 2HD LYS 33 1HD LYS 33 -15.468 5.767 12.972 125 1HE LYS 33 2HE LYS 33 -17.076 4.236 11.987 126 2HE LYS 33 1HE LYS 33 -17.399 5.892 11.472 127 1HZ LYS 33 1HZ LYS 33 -16.602 5.460 9.344 128 2HZ LYS 33 2HZ LYS 33 -17.468 4.055 9.723 129 3HZ LYS 33 3HZ LYS 33 -15.771 4.063 9.820 130 H PHE 34 H PHE 34 -10.799 8.018 12.346 131 HA PHE 34 HA PHE 34 -11.139 9.774 14.607 132 1HB PHE 34 2HB PHE 34 -8.913 7.900 13.800 133 2HB PHE 34 1HB PHE 34 -8.907 8.849 15.279 134 HD1 PHE 34 HD1 PHE 34 -10.646 8.428 17.013 135 HD2 PHE 34 HD2 PHE 34 -10.142 5.892 13.636 136 HE1 PHE 34 HE1 PHE 34 -11.912 6.658 18.160 137 HE2 PHE 34 HE2 PHE 34 -11.406 4.114 14.776 138 HZ PHE 34 HZ PHE 34 -12.293 4.498 17.043 139 H GLY 35 H GLY 35 -9.325 9.731 11.616 140 1HA GLY 35 2HA GLY 35 -8.119 11.462 10.631 141 2HA GLY 35 1HA GLY 35 -8.392 12.436 12.076 142 H ALA 36 H ALA 36 -6.848 9.328 11.347 143 HA ALA 36 HA ALA 36 -5.032 9.731 13.549 144 1HB ALA 36 1HB ALA 36 -6.098 7.550 13.187 145 2HB ALA 36 2HB ALA 36 -4.338 7.443 13.162 146 3HB ALA 36 3HB ALA 36 -5.248 7.400 11.650 147 H ALA 37 H ALA 37 -4.187 11.663 12.239 148 HA ALA 37 HA ALA 37 -2.217 11.053 10.247 149 1HB ALA 37 1HB ALA 37 -3.262 13.265 10.346 150 2HB ALA 37 2HB ALA 37 -1.513 13.388 10.536 151 3HB ALA 37 3HB ALA 37 -2.565 13.530 11.945 152 H THR 38 H THR 38 -1.831 12.475 13.486 153 HA THR 38 HA THR 38 0.511 10.751 13.870 154 HB THR 38 HB THR 38 -0.192 13.357 15.241 155 HG1 THR 38 HG1 THR 38 1.905 12.556 13.472 156 1HG2 THR 38 1HG2 THR 38 2.196 11.546 15.655 157 2HG2 THR 38 2HG2 THR 38 0.896 11.813 16.816 158 3HG2 THR 38 3HG2 THR 38 1.972 13.139 16.377 159 H ALA 39 H ALA 39 -1.038 9.112 14.198 160 HA ALA 39 HA ALA 39 -1.380 8.570 16.983 161 1HB ALA 39 1HB ALA 39 -3.492 9.748 16.576 162 2HB ALA 39 2HB ALA 39 -3.781 8.029 16.849 163 3HB ALA 39 3HB ALA 39 -3.833 8.683 15.212 164 H THR 40 H THR 40 -0.100 6.816 16.726 165 HA THR 40 HA THR 40 0.841 4.943 15.853 166 HB THR 40 HB THR 40 -1.813 4.313 14.546 167 HG1 THR 40 HG1 THR 40 -2.631 4.157 16.481 168 1HG2 THR 40 1HG2 THR 40 0.378 2.565 15.680 169 2HG2 THR 40 2HG2 THR 40 0.050 2.835 13.968 170 3HG2 THR 40 3HG2 THR 40 -1.130 1.989 14.970 171 H GLU 41 H GLU 41 1.743 6.901 14.565 172 HA GLU 41 HA GLU 41 1.039 6.798 11.743 173 1HB GLU 41 2HB GLU 41 2.814 8.590 11.526 174 2HB GLU 41 1HB GLU 41 1.415 9.014 12.500 175 1HG GLU 41 2HG GLU 41 2.665 8.691 14.526 176 2HG GLU 41 1HG GLU 41 4.048 8.076 13.620 177 H MET 42 H MET 42 2.502 6.262 10.103 178 HA MET 42 HA MET 42 4.744 4.572 10.989 179 1HB MET 42 2HB MET 42 2.843 4.087 8.683 180 2HB MET 42 1HB MET 42 4.275 3.125 9.024 181 1HG MET 42 2HG MET 42 3.334 2.406 11.128 182 2HG MET 42 1HG MET 42 1.927 3.437 10.877 183 1HE MET 42 1HE MET 42 3.928 0.329 9.588 184 2HE MET 42 2HE MET 42 3.780 1.304 8.127 185 3HE MET 42 3HE MET 42 2.918 -0.229 8.253 186 H THR 43 H THR 43 6.604 5.336 10.305 187 HA THR 43 HA THR 43 6.945 7.597 8.754 188 HB THR 43 HB THR 43 9.070 5.489 8.813 189 HG1 THR 43 HG1 THR 43 9.344 6.675 11.074 190 1HG2 THR 43 1HG2 THR 43 9.615 7.636 7.820 191 2HG2 THR 43 2HG2 THR 43 10.485 7.451 9.344 192 3HG2 THR 43 3HG2 THR 43 9.052 8.476 9.265 193 H GLY 44 H GLY 44 7.774 7.912 6.616 194 1HA GLY 44 2HA GLY 44 6.628 6.514 4.538 195 2HA GLY 44 1HA GLY 44 8.092 7.474 4.378 196 H LYS 45 H LYS 45 9.720 5.921 6.092 197 HA LYS 45 HA LYS 45 10.733 3.929 4.417 198 1HB LYS 45 2HB LYS 45 12.101 4.923 6.140 199 2HB LYS 45 1HB LYS 45 11.011 4.361 7.397 200 1HG LYS 45 2HG LYS 45 11.609 2.007 6.672 201 2HG LYS 45 1HG LYS 45 12.899 2.742 5.718 202 1HD LYS 45 2HD LYS 45 13.684 1.976 7.929 203 2HD LYS 45 1HD LYS 45 13.861 3.722 7.726 204 1HE LYS 45 2HE LYS 45 11.840 4.104 9.009 205 2HE LYS 45 1HE LYS 45 11.564 2.369 9.137 206 1HZ LYS 45 1HZ LYS 45 13.976 3.713 10.228 207 2HZ LYS 45 2HZ LYS 45 13.441 2.128 10.528 208 3HZ LYS 45 3HZ LYS 45 12.566 3.446 11.128 209 H ASN 46 H ASN 46 8.413 3.776 7.056 210 HA ASN 46 HA ASN 46 8.370 0.909 7.182 211 1HB ASN 46 2HB ASN 46 6.445 2.918 8.382 212 2HB ASN 46 1HB ASN 46 6.535 1.208 8.785 213 1HD2 ASN 46 1HD2 ASN 46 6.962 1.543 10.924 214 2HD2 ASN 46 2HD2 ASN 46 8.471 2.189 11.494 215 H PHE 47 H PHE 47 6.395 3.443 5.758 216 HA PHE 47 HA PHE 47 4.341 1.716 4.807 217 1HB PHE 47 2HB PHE 47 4.154 4.218 5.095 218 2HB PHE 47 1HB PHE 47 5.158 4.396 3.660 219 HD1 PHE 47 HD1 PHE 47 1.970 2.944 4.870 220 HD2 PHE 47 HD2 PHE 47 4.198 4.370 1.538 221 HE1 PHE 47 HE1 PHE 47 -0.042 2.789 3.466 222 HE2 PHE 47 HE2 PHE 47 2.189 4.218 0.126 223 HZ PHE 47 HZ PHE 47 0.066 3.428 1.089 224 H ASP 48 H ASP 48 7.301 3.033 3.428 225 HA ASP 48 HA ASP 48 7.182 1.887 0.870 226 1HB ASP 48 2HB ASP 48 8.804 3.595 1.416 227 2HB ASP 48 1HB ASP 48 9.518 2.584 2.664 228 H LYS 49 H LYS 49 7.944 0.567 3.965 229 HA LYS 49 HA LYS 49 9.207 -1.837 3.080 230 1HB LYS 49 2HB LYS 49 9.044 -0.549 5.474 231 2HB LYS 49 1HB LYS 49 7.844 -1.810 5.707 232 1HG LYS 49 2HG LYS 49 10.260 -2.907 4.592 233 2HG LYS 49 1HG LYS 49 10.600 -1.999 6.065 234 1HD LYS 49 2HD LYS 49 10.144 -4.120 6.881 235 2HD LYS 49 1HD LYS 49 8.584 -3.312 7.037 236 1HE LYS 49 2HE LYS 49 7.878 -4.304 4.900 237 2HE LYS 49 1HE LYS 49 9.423 -5.148 4.797 238 1HZ LYS 49 1HZ LYS 49 7.209 -5.587 6.702 239 2HZ LYS 49 2HZ LYS 49 8.780 -6.125 7.050 240 3HZ LYS 49 3HZ LYS 49 7.963 -6.714 5.680 241 H TRP 50 H TRP 50 5.997 -0.930 4.247 242 HA TRP 50 HA TRP 50 4.633 -3.330 3.959 243 1HB TRP 50 2HB TRP 50 3.540 -1.479 5.001 244 2HB TRP 50 1HB TRP 50 3.764 -0.458 3.588 245 HD1 TRP 50 HD1 TRP 50 1.844 -0.400 1.856 246 HE1 TRP 50 HE1 TRP 50 -0.406 -1.614 1.598 247 HE3 TRP 50 HE3 TRP 50 2.373 -3.915 5.544 248 HZ2 TRP 50 HZ2 TRP 50 -1.786 -3.757 2.796 249 HZ3 TRP 50 HZ3 TRP 50 0.527 -5.500 5.923 250 HH2 TRP 50 HH2 TRP 50 -1.503 -5.421 4.576 251 H LEU 51 H LEU 51 5.627 -0.988 1.522 252 HA LEU 51 HA LEU 51 4.040 -2.235 -0.551 253 1HB LEU 51 2HB LEU 51 5.857 0.087 -0.382 254 2HB LEU 51 1HB LEU 51 5.745 -0.690 -1.948 255 HG LEU 51 HG LEU 51 4.194 1.125 -1.907 256 1HD1 LEU 51 1HD1 LEU 51 2.064 -0.029 -2.292 257 2HD1 LEU 51 2HD1 LEU 51 2.736 -1.488 -1.564 258 3HD1 LEU 51 3HD1 LEU 51 3.419 -0.856 -3.062 259 1HD2 LEU 51 1HD2 LEU 51 3.966 1.412 0.484 260 2HD2 LEU 51 2HD2 LEU 51 3.074 -0.106 0.601 261 3HD2 LEU 51 3HD2 LEU 51 2.377 1.261 -0.267 262 H LYS 52 H LYS 52 7.512 -2.057 0.181 263 HA LYS 52 HA LYS 52 8.271 -3.607 -2.077 264 1HB LYS 52 2HB LYS 52 9.724 -2.787 0.427 265 2HB LYS 52 1HB LYS 52 10.483 -3.762 -0.827 266 1HG LYS 52 2HG LYS 52 10.172 -2.024 -2.446 267 2HG LYS 52 1HG LYS 52 9.242 -1.065 -1.295 268 1HD LYS 52 2HD LYS 52 11.220 -0.853 0.126 269 2HD LYS 52 1HD LYS 52 12.150 -1.822 -1.025 270 1HE LYS 52 2HE LYS 52 12.078 -0.168 -2.662 271 2HE LYS 52 1HE LYS 52 10.718 0.656 -1.900 272 1HZ LYS 52 1HZ LYS 52 12.646 1.939 -1.512 273 2HZ LYS 52 2HZ LYS 52 13.530 0.599 -0.976 274 3HZ LYS 52 3HZ LYS 52 12.244 1.200 -0.038 275 H ASP 53 H ASP 53 7.497 -4.429 1.247 276 HA ASP 53 HA ASP 53 8.567 -7.084 1.003 277 1HB ASP 53 2HB ASP 53 8.096 -5.588 3.146 278 2HB ASP 53 1HB ASP 53 6.557 -6.443 3.101 279 H ALA 54 H ALA 54 5.539 -5.531 0.397 280 HA ALA 54 HA ALA 54 3.936 -7.884 0.290 281 1HB ALA 54 1HB ALA 54 2.290 -6.448 -0.823 282 2HB ALA 54 2HB ALA 54 3.504 -5.177 -0.970 283 3HB ALA 54 3HB ALA 54 2.947 -5.685 0.624 284 H GLY 55 H GLY 55 5.987 -6.183 -1.965 285 1HA GLY 55 2HA GLY 55 6.986 -7.248 -3.831 286 2HA GLY 55 1HA GLY 55 5.654 -8.395 -3.859 287 H VAL 56 H VAL 56 4.388 -5.370 -3.419 288 HA VAL 56 HA VAL 56 3.478 -5.243 -6.164 289 HB VAL 56 HB VAL 56 2.898 -3.310 -3.911 290 1HG1 VAL 56 1HG1 VAL 56 1.454 -3.838 -6.509 291 2HG1 VAL 56 2HG1 VAL 56 2.445 -2.426 -6.143 292 3HG1 VAL 56 3HG1 VAL 56 0.946 -2.705 -5.256 293 1HG2 VAL 56 1HG2 VAL 56 0.810 -4.551 -3.599 294 2HG2 VAL 56 2HG2 VAL 56 2.217 -5.569 -3.289 295 3HG2 VAL 56 3HG2 VAL 56 1.329 -5.728 -4.805 296 H LEU 57 H LEU 57 5.205 -3.121 -3.916 297 HA LEU 57 HA LEU 57 6.312 -1.680 -6.225 298 1HB LEU 57 2HB LEU 57 5.032 -0.423 -4.420 299 2HB LEU 57 1HB LEU 57 6.336 -0.824 -3.326 300 HG LEU 57 HG LEU 57 6.863 0.712 -5.860 301 1HD1 LEU 57 1HD1 LEU 57 5.118 1.916 -4.665 302 2HD1 LEU 57 2HD1 LEU 57 6.657 2.769 -4.543 303 3HD1 LEU 57 3HD1 LEU 57 6.060 1.830 -3.176 304 1HD2 LEU 57 1HD2 LEU 57 8.768 1.550 -4.598 305 2HD2 LEU 57 2HD2 LEU 57 8.791 -0.212 -4.663 306 3HD2 LEU 57 3HD2 LEU 57 8.267 0.609 -3.193 307 H ASP 58 H ASP 58 7.957 -3.085 -6.739 308 HA ASP 58 HA ASP 58 9.649 -4.208 -4.712 309 1HB ASP 58 2HB ASP 58 10.967 -5.052 -6.702 310 2HB ASP 58 1HB ASP 58 9.287 -5.571 -6.619 311 H ASN 59 H ASN 59 9.833 -1.499 -6.912 312 HA ASN 59 HA ASN 59 11.322 0.202 -7.185 313 1HB ASN 59 2HB ASN 59 10.924 0.281 -4.652 314 2HB ASN 59 1HB ASN 59 12.466 -0.547 -4.488 315 1HD2 ASN 59 1HD2 ASN 59 10.886 2.390 -5.514 316 2HD2 ASN 59 2HD2 ASN 59 12.291 3.393 -5.471 317 H LYS 60 H LYS 60 11.874 -2.449 -8.057 318 HA LYS 60 HA LYS 60 14.828 -2.542 -8.026 319 1HB LYS 60 2HB LYS 60 13.719 -4.349 -6.718 320 2HB LYS 60 1HB LYS 60 12.859 -4.837 -8.162 321 1HG LYS 60 2HG LYS 60 14.996 -5.391 -9.237 322 2HG LYS 60 1HG LYS 60 15.839 -4.946 -7.747 323 1HD LYS 60 2HD LYS 60 14.613 -6.655 -6.526 324 2HD LYS 60 1HD LYS 60 13.718 -7.077 -7.983 325 1HE LYS 60 2HE LYS 60 15.829 -7.755 -9.049 326 2HE LYS 60 1HE LYS 60 16.684 -7.385 -7.551 327 1HZ LYS 60 1HZ LYS 60 15.417 -9.063 -6.410 328 2HZ LYS 60 2HZ LYS 60 16.124 -9.765 -7.784 329 3HZ LYS 60 3HZ LYS 60 14.479 -9.364 -7.788 330 H ALA 61 H ALA 61 11.897 -3.513 -9.716 331 HA ALA 61 HA ALA 61 13.230 -2.980 -12.301 332 1HB ALA 61 1HB ALA 61 11.785 -4.679 -13.302 333 2HB ALA 61 2HB ALA 61 11.064 -4.999 -11.724 334 3HB ALA 61 3HB ALA 61 12.766 -5.366 -12.006 335 H ILE 62 H ILE 62 10.617 -2.368 -10.187 336 HA ILE 62 HA ILE 62 8.668 -1.428 -11.993 337 HB ILE 62 HB ILE 62 8.426 -1.985 -9.489 338 1HG1 ILE 62 2HG1 ILE 62 7.179 0.567 -10.518 339 2HG1 ILE 62 1HG1 ILE 62 6.630 -1.058 -10.913 340 1HG2 ILE 62 1HG2 ILE 62 8.624 -0.073 -7.961 341 2HG2 ILE 62 2HG2 ILE 62 9.343 0.878 -9.260 342 3HG2 ILE 62 3HG2 ILE 62 10.182 -0.544 -8.639 343 1HD1 ILE 62 1HD1 ILE 62 6.093 -1.445 -8.565 344 2HD1 ILE 62 2HD1 ILE 62 5.236 -0.044 -9.205 345 3HD1 ILE 62 3HD1 ILE 62 6.646 0.184 -8.170 346 H THR 63 H THR 63 7.969 0.944 -12.093 347 HA THR 63 HA THR 63 10.193 2.436 -13.099 348 HB THR 63 HB THR 63 8.590 4.159 -13.700 349 HG1 THR 63 HG1 THR 63 6.370 2.757 -12.749 350 1HG2 THR 63 1HG2 THR 63 8.718 2.260 -15.196 351 2HG2 THR 63 2HG2 THR 63 7.049 2.826 -15.100 352 3HG2 THR 63 3HG2 THR 63 7.543 1.377 -14.223 353 H GLY 64 H GLY 64 10.966 4.449 -12.399 354 1HA GLY 64 2HA GLY 64 10.614 4.998 -9.554 355 2HA GLY 64 1HA GLY 64 11.729 5.816 -10.647 356 H THR 65 H THR 65 9.478 6.063 -12.598 357 HA THR 65 HA THR 65 8.699 8.693 -12.057 358 HB THR 65 HB THR 65 7.340 6.730 -13.921 359 HG1 THR 65 HG1 THR 65 8.853 7.599 -15.471 360 1HG2 THR 65 1HG2 THR 65 6.784 8.746 -15.215 361 2HG2 THR 65 2HG2 THR 65 7.525 9.745 -13.964 362 3HG2 THR 65 3HG2 THR 65 6.084 8.796 -13.597 363 H MET 66 H MET 66 6.690 5.736 -12.053 364 HA MET 66 HA MET 66 4.408 7.053 -11.016 365 1HB MET 66 2HB MET 66 5.168 4.166 -11.345 366 2HB MET 66 1HB MET 66 3.703 4.611 -10.485 367 1HG MET 66 2HG MET 66 3.257 4.063 -12.813 368 2HG MET 66 1HG MET 66 2.851 5.737 -12.447 369 1HE MET 66 1HE MET 66 4.011 5.807 -16.205 370 2HE MET 66 2HE MET 66 2.699 6.168 -15.081 371 3HE MET 66 3HE MET 66 3.161 4.494 -15.389 372 H THR 67 H THR 67 6.903 5.047 -9.506 373 HA THR 67 HA THR 67 5.621 4.878 -6.994 374 HB THR 67 HB THR 67 7.806 4.042 -6.168 375 HG1 THR 67 HG1 THR 67 8.930 4.000 -8.701 376 1HG2 THR 67 1HG2 THR 67 6.237 2.515 -7.265 377 2HG2 THR 67 2HG2 THR 67 7.905 2.066 -7.623 378 3HG2 THR 67 3HG2 THR 67 6.940 2.911 -8.833 379 H GLY 68 H GLY 68 8.353 6.895 -8.099 380 1HA GLY 68 2HA GLY 68 8.813 8.159 -5.625 381 2HA GLY 68 1HA GLY 68 9.326 8.762 -7.192 382 H ILE 69 H ILE 69 6.939 9.243 -8.447 383 HA ILE 69 HA ILE 69 6.232 11.740 -7.311 384 HB ILE 69 HB ILE 69 4.914 10.190 -9.548 385 1HG1 ILE 69 2HG1 ILE 69 6.873 12.502 -9.595 386 2HG1 ILE 69 1HG1 ILE 69 7.268 10.824 -9.954 387 1HG2 ILE 69 1HG2 ILE 69 4.548 13.078 -8.754 388 2HG2 ILE 69 2HG2 ILE 69 3.354 11.793 -8.574 389 3HG2 ILE 69 3HG2 ILE 69 3.862 12.305 -10.184 390 1HD1 ILE 69 1HD1 ILE 69 5.419 12.605 -11.526 391 2HD1 ILE 69 2HD1 ILE 69 5.734 10.904 -11.872 392 3HD1 ILE 69 3HD1 ILE 69 7.038 12.084 -11.993 393 H ALA 70 H ALA 70 4.806 8.538 -7.171 394 HA ALA 70 HA ALA 70 2.291 9.155 -6.149 395 1HB ALA 70 1HB ALA 70 4.020 6.800 -5.398 396 2HB ALA 70 2HB ALA 70 2.971 6.889 -6.812 397 3HB ALA 70 3HB ALA 70 2.272 6.919 -5.192 398 H PHE 71 H PHE 71 5.229 8.324 -4.293 399 HA PHE 71 HA PHE 71 4.191 8.947 -1.766 400 1HB PHE 71 2HB PHE 71 7.050 8.988 -2.749 401 2HB PHE 71 1HB PHE 71 6.589 9.151 -1.058 402 HD1 PHE 71 HD1 PHE 71 7.711 6.916 -3.442 403 HD2 PHE 71 HD2 PHE 71 4.893 7.223 -0.270 404 HE1 PHE 71 HE1 PHE 71 7.708 4.469 -3.215 405 HE2 PHE 71 HE2 PHE 71 4.885 4.774 -0.035 406 HZ PHE 71 HZ PHE 71 6.294 3.393 -1.508 407 H SER 72 H SER 72 5.978 10.931 -4.074 408 HA SER 72 HA SER 72 6.283 13.222 -2.503 409 1HB SER 72 2HB SER 72 7.480 12.814 -4.631 410 2HB SER 72 1HB SER 72 5.972 13.054 -5.510 411 HG SER 72 HG SER 72 6.236 15.158 -3.976 412 H LYS 73 H LYS 73 3.503 11.992 -4.184 413 HA LYS 73 HA LYS 73 2.131 14.562 -4.036 414 1HB LYS 73 2HB LYS 73 2.049 13.012 -6.065 415 2HB LYS 73 1HB LYS 73 1.007 11.975 -5.101 416 1HG LYS 73 2HG LYS 73 -0.278 13.424 -6.589 417 2HG LYS 73 1HG LYS 73 -0.621 13.768 -4.891 418 1HD LYS 73 2HD LYS 73 -0.360 15.819 -6.241 419 2HD LYS 73 1HD LYS 73 0.840 15.698 -4.953 420 1HE LYS 73 2HE LYS 73 2.404 14.711 -6.677 421 2HE LYS 73 1HE LYS 73 1.222 15.187 -7.895 422 1HZ LYS 73 1HZ LYS 73 2.575 17.024 -5.993 423 2HZ LYS 73 2HZ LYS 73 1.457 17.478 -7.188 424 3HZ LYS 73 3HZ LYS 73 2.965 16.843 -7.634 425 H VAL 74 H VAL 74 1.738 11.231 -2.834 426 HA VAL 74 HA VAL 74 -0.711 11.734 -1.499 427 HB VAL 74 HB VAL 74 -0.395 9.550 -0.462 428 1HG1 VAL 74 1HG1 VAL 74 -0.353 8.246 -2.525 429 2HG1 VAL 74 2HG1 VAL 74 0.345 9.622 -3.379 430 3HG1 VAL 74 3HG1 VAL 74 -1.287 9.730 -2.718 431 1HG2 VAL 74 1HG2 VAL 74 2.011 9.592 -0.043 432 2HG2 VAL 74 2HG2 VAL 74 2.318 9.537 -1.779 433 3HG2 VAL 74 3HG2 VAL 74 1.556 8.164 -0.974 434 H THR 75 H THR 75 2.587 11.273 -0.094 435 HA THR 75 HA THR 75 1.504 12.182 2.441 436 HB THR 75 HB THR 75 3.787 11.670 3.327 437 HG1 THR 75 HG1 THR 75 5.339 11.271 1.959 438 1HG2 THR 75 1HG2 THR 75 1.991 10.016 3.438 439 2HG2 THR 75 2HG2 THR 75 3.551 9.238 3.174 440 3HG2 THR 75 3HG2 THR 75 2.424 9.428 1.831 441 H GLY 76 H GLY 76 4.174 13.075 0.265 442 1HA GLY 76 2HA GLY 76 4.841 15.323 -0.175 443 2HA GLY 76 1HA GLY 76 4.038 15.817 1.313 444 HA PRO 77 HA PRO 77 7.982 15.389 3.410 445 1HB PRO 77 2HB PRO 77 6.464 14.753 5.842 446 2HB PRO 77 1HB PRO 77 7.526 16.124 5.510 447 1HG PRO 77 2HG PRO 77 4.859 16.405 5.708 448 2HG PRO 77 1HG PRO 77 5.832 17.388 4.598 449 1HD PRO 77 2HD PRO 77 4.139 14.985 4.013 450 2HD PRO 77 1HD PRO 77 4.306 16.496 3.094 451 H LYS 78 H LYS 78 8.572 13.773 5.492 452 HA LYS 78 HA LYS 78 8.548 11.191 4.133 453 1HB LYS 78 2HB LYS 78 10.334 12.260 6.320 454 2HB LYS 78 1HB LYS 78 10.494 10.675 5.578 455 1HG LYS 78 2HG LYS 78 10.966 11.687 3.432 456 2HG LYS 78 1HG LYS 78 10.713 13.295 4.111 457 1HD LYS 78 2HD LYS 78 13.083 12.822 3.949 458 2HD LYS 78 1HD LYS 78 12.602 12.923 5.643 459 1HE LYS 78 2HE LYS 78 12.512 10.471 5.750 460 2HE LYS 78 1HE LYS 78 13.018 10.388 4.060 461 1HZ LYS 78 1HZ LYS 78 15.093 11.437 4.641 462 2HZ LYS 78 2HZ LYS 78 14.867 10.071 5.615 463 3HZ LYS 78 3HZ LYS 78 14.603 11.618 6.254 464 H LYS 79 H LYS 79 6.997 12.635 6.764 465 HA LYS 79 HA LYS 79 7.160 10.538 8.665 466 1HB LYS 79 2HB LYS 79 5.180 12.785 8.346 467 2HB LYS 79 1HB LYS 79 5.141 11.652 9.687 468 1HG LYS 79 2HG LYS 79 7.519 12.376 10.184 469 2HG LYS 79 1HG LYS 79 7.242 13.694 9.040 470 1HD LYS 79 2HD LYS 79 6.793 14.364 11.377 471 2HD LYS 79 1HD LYS 79 5.359 14.482 10.352 472 1HE LYS 79 2HE LYS 79 4.599 12.301 11.176 473 2HE LYS 79 1HE LYS 79 6.018 12.205 12.215 474 1HZ LYS 79 1HZ LYS 79 5.239 14.172 13.389 475 2HZ LYS 79 2HZ LYS 79 4.083 12.933 13.436 476 3HZ LYS 79 3HZ LYS 79 3.868 14.249 12.391 477 H LYS 80 H LYS 80 4.160 11.585 7.051 478 HA LYS 80 HA LYS 80 3.345 9.125 6.020 479 1HB LYS 80 2HB LYS 80 3.410 8.628 8.579 480 2HB LYS 80 1HB LYS 80 1.974 9.637 8.663 481 1HG LYS 80 2HG LYS 80 0.986 8.086 6.892 482 2HG LYS 80 1HG LYS 80 2.332 7.008 7.260 483 1HD LYS 80 2HD LYS 80 0.450 6.305 8.558 484 2HD LYS 80 1HD LYS 80 1.611 7.058 9.655 485 1HE LYS 80 2HE LYS 80 0.321 9.117 9.642 486 2HE LYS 80 1HE LYS 80 -0.813 8.425 8.483 487 1HZ LYS 80 1HZ LYS 80 -0.365 7.526 11.276 488 2HZ LYS 80 2HZ LYS 80 -1.362 6.730 10.169 489 3HZ LYS 80 3HZ LYS 80 -1.745 8.302 10.671 490 H ALA 81 H ALA 81 0.618 9.218 6.382 491 HA ALA 81 HA ALA 81 -0.290 11.961 6.158 492 1HB ALA 81 1HB ALA 81 0.376 11.404 3.870 493 2HB ALA 81 2HB ALA 81 -1.372 11.608 3.993 494 3HB ALA 81 3HB ALA 81 -0.677 9.990 3.903 495 H THR 82 H THR 82 -2.481 9.996 4.646 496 HA THR 82 HA THR 82 -3.562 8.535 6.816 497 HB THR 82 HB THR 82 -4.155 10.832 7.570 498 HG1 THR 82 HG1 THR 82 -6.488 10.307 7.778 499 1HG2 THR 82 1HG2 THR 82 -4.501 11.853 5.359 500 2HG2 THR 82 2HG2 THR 82 -5.881 12.095 6.429 501 3HG2 THR 82 3HG2 THR 82 -5.958 10.881 5.153 502 H PHE 83 H PHE 83 -6.268 8.542 6.040 503 HA PHE 83 HA PHE 83 -6.299 6.367 4.426 504 1HB PHE 83 2HB PHE 83 -8.204 6.992 5.742 505 2HB PHE 83 1HB PHE 83 -8.456 8.443 4.781 506 HD1 PHE 83 HD1 PHE 83 -8.551 4.745 4.657 507 HD2 PHE 83 HD2 PHE 83 -9.775 8.393 2.843 508 HE1 PHE 83 HE1 PHE 83 -10.079 3.501 3.187 509 HE2 PHE 83 HE2 PHE 83 -11.305 7.152 1.371 510 HZ PHE 83 HZ PHE 83 -11.459 4.703 1.542 511 H ASP 84 H ASP 84 -7.204 9.616 3.198 512 HA ASP 84 HA ASP 84 -7.732 8.725 0.598 513 1HB ASP 84 2HB ASP 84 -8.593 10.843 1.357 514 2HB ASP 84 1HB ASP 84 -6.965 11.474 1.584 515 H GLU 85 H GLU 85 -4.856 10.425 1.806 516 HA GLU 85 HA GLU 85 -3.275 10.269 -0.482 517 1HB GLU 85 2HB GLU 85 -2.358 10.042 2.389 518 2HB GLU 85 1HB GLU 85 -1.377 10.531 1.014 519 1HG GLU 85 2HG GLU 85 -1.880 12.572 1.871 520 2HG GLU 85 1HG GLU 85 -3.236 12.375 0.763 521 H THR 86 H THR 86 -3.853 7.831 2.025 522 HA THR 86 HA THR 86 -1.852 6.020 1.145 523 HB THR 86 HB THR 86 -4.373 5.353 2.682 524 HG1 THR 86 HG1 THR 86 -3.130 6.973 3.731 525 1HG2 THR 86 1HG2 THR 86 -3.202 3.391 1.782 526 2HG2 THR 86 2HG2 THR 86 -3.059 3.468 3.537 527 3HG2 THR 86 3HG2 THR 86 -1.700 3.947 2.520 528 H LYS 87 H LYS 87 -5.339 6.298 0.412 529 HA LYS 87 HA LYS 87 -5.321 3.943 -1.205 530 1HB LYS 87 2HB LYS 87 -7.556 4.510 -1.885 531 2HB LYS 87 1HB LYS 87 -7.398 4.795 -0.162 532 1HG LYS 87 2HG LYS 87 -7.299 7.166 -0.503 533 2HG LYS 87 1HG LYS 87 -7.244 6.952 -2.255 534 1HD LYS 87 2HD LYS 87 -9.468 5.966 -2.223 535 2HD LYS 87 1HD LYS 87 -9.524 6.114 -0.468 536 1HE LYS 87 2HE LYS 87 -10.790 7.897 -1.552 537 2HE LYS 87 1HE LYS 87 -9.420 8.537 -0.649 538 1HZ LYS 87 1HZ LYS 87 -9.275 8.015 -3.565 539 2HZ LYS 87 2HZ LYS 87 -8.252 8.976 -2.609 540 3HZ LYS 87 3HZ LYS 87 -9.828 9.488 -2.935 541 H LYS 88 H LYS 88 -4.632 7.304 -1.783 542 HA LYS 88 HA LYS 88 -4.725 7.314 -4.587 543 1HB LYS 88 2HB LYS 88 -2.998 8.847 -2.648 544 2HB LYS 88 1HB LYS 88 -2.969 9.126 -4.376 545 1HG LYS 88 2HG LYS 88 -5.351 9.731 -4.297 546 2HG LYS 88 1HG LYS 88 -5.321 9.510 -2.544 547 1HD LYS 88 2HD LYS 88 -3.539 11.220 -2.399 548 2HD LYS 88 1HD LYS 88 -3.686 11.484 -4.136 549 1HE LYS 88 2HE LYS 88 -5.862 11.902 -2.092 550 2HE LYS 88 1HE LYS 88 -4.902 13.172 -2.849 551 1HZ LYS 88 1HZ LYS 88 -6.960 13.053 -3.978 552 2HZ LYS 88 2HZ LYS 88 -6.865 11.371 -4.156 553 3HZ LYS 88 3HZ LYS 88 -5.807 12.375 -5.020 554 H VAL 89 H VAL 89 -1.972 6.771 -2.390 555 HA VAL 89 HA VAL 89 -0.125 6.314 -4.469 556 HB VAL 89 HB VAL 89 0.643 7.035 -2.286 557 1HG1 VAL 89 1HG1 VAL 89 -0.247 4.339 -1.287 558 2HG1 VAL 89 2HG1 VAL 89 -0.943 5.903 -0.861 559 3HG1 VAL 89 3HG1 VAL 89 0.705 5.506 -0.372 560 1HG2 VAL 89 1HG2 VAL 89 1.708 4.302 -2.991 561 2HG2 VAL 89 2HG2 VAL 89 2.530 5.501 -1.993 562 3HG2 VAL 89 3HG2 VAL 89 2.220 5.835 -3.696 563 H LEU 90 H LEU 90 -2.034 4.065 -2.476 564 HA LEU 90 HA LEU 90 -0.884 1.701 -3.459 565 1HB LEU 90 2HB LEU 90 -3.686 2.217 -2.462 566 2HB LEU 90 1HB LEU 90 -3.060 0.621 -2.824 567 HG LEU 90 HG LEU 90 -2.178 2.484 -0.625 568 1HD1 LEU 90 1HD1 LEU 90 -4.166 1.199 -0.141 569 2HD1 LEU 90 2HD1 LEU 90 -2.805 0.595 0.805 570 3HD1 LEU 90 3HD1 LEU 90 -3.348 -0.288 -0.621 571 1HD2 LEU 90 1HD2 LEU 90 -0.924 -0.120 -1.489 572 2HD2 LEU 90 2HD2 LEU 90 -0.511 0.790 -0.035 573 3HD2 LEU 90 3HD2 LEU 90 -0.194 1.480 -1.627 574 H ALA 91 H ALA 91 -3.423 3.769 -4.722 575 HA ALA 91 HA ALA 91 -4.179 2.063 -6.862 576 1HB ALA 91 1HB ALA 91 -5.627 3.861 -6.036 577 2HB ALA 91 2HB ALA 91 -5.327 4.002 -7.768 578 3HB ALA 91 3HB ALA 91 -4.476 5.055 -6.638 579 H PHE 92 H PHE 92 -1.915 4.794 -6.600 580 HA PHE 92 HA PHE 92 -1.197 4.887 -9.320 581 1HB PHE 92 2HB PHE 92 0.307 5.731 -6.843 582 2HB PHE 92 1HB PHE 92 0.925 5.995 -8.469 583 HD1 PHE 92 HD1 PHE 92 -0.341 7.731 -5.937 584 HD2 PHE 92 HD2 PHE 92 -1.320 6.901 -9.995 585 HE1 PHE 92 HE1 PHE 92 -1.593 9.846 -6.062 586 HE2 PHE 92 HE2 PHE 92 -2.576 9.014 -10.128 587 HZ PHE 92 HZ PHE 92 -2.711 10.489 -8.160 588 H VAL 93 H VAL 93 0.265 3.149 -6.592 589 HA VAL 93 HA VAL 93 2.427 2.073 -8.050 590 HB VAL 93 HB VAL 93 1.108 0.923 -5.584 591 1HG1 VAL 93 1HG1 VAL 93 2.519 -0.713 -6.698 592 2HG1 VAL 93 2HG1 VAL 93 3.284 -0.161 -5.207 593 3HG1 VAL 93 3HG1 VAL 93 3.844 0.448 -6.764 594 1HG2 VAL 93 1HG2 VAL 93 2.887 2.087 -4.355 595 2HG2 VAL 93 2HG2 VAL 93 1.846 3.214 -5.224 596 3HG2 VAL 93 3HG2 VAL 93 3.442 2.816 -5.861 597 H ALA 94 H ALA 94 -0.789 0.757 -7.301 598 HA ALA 94 HA ALA 94 -0.431 -1.722 -8.603 599 1HB ALA 94 1HB ALA 94 -2.261 -1.280 -7.015 600 2HB ALA 94 2HB ALA 94 -2.852 -1.918 -8.548 601 3HB ALA 94 3HB ALA 94 -3.006 -0.197 -8.194 602 H GLU 95 H GLU 95 -1.637 1.406 -9.714 603 HA GLU 95 HA GLU 95 -2.500 0.602 -12.257 604 1HB GLU 95 2HB GLU 95 -3.154 2.738 -11.265 605 2HB GLU 95 1HB GLU 95 -1.491 3.303 -11.351 606 1HG GLU 95 2HG GLU 95 -1.548 3.315 -13.741 607 2HG GLU 95 1HG GLU 95 -3.127 2.534 -13.755 608 H ASP 96 H ASP 96 0.649 1.569 -11.061 609 HA ASP 96 HA ASP 96 2.124 2.292 -13.170 610 1HB ASP 96 2HB ASP 96 3.224 2.058 -11.087 611 2HB ASP 96 1HB ASP 96 2.840 0.343 -10.988 612 H ARG 97 H ARG 97 1.874 -1.190 -12.374 613 HA ARG 97 HA ARG 97 2.739 -1.744 -15.097 614 1HB ARG 97 2HB ARG 97 2.851 -3.223 -12.537 615 2HB ARG 97 1HB ARG 97 2.693 -4.189 -14.000 616 1HG ARG 97 2HG ARG 97 4.694 -3.252 -14.916 617 2HG ARG 97 1HG ARG 97 4.804 -2.084 -13.600 618 1HD ARG 97 2HD ARG 97 4.935 -5.068 -13.221 619 2HD ARG 97 1HD ARG 97 6.352 -4.035 -13.407 620 HE ARG 97 HE ARG 97 4.512 -3.299 -11.291 621 1HH1 ARG 97 1HH1 ARG 97 7.478 -4.924 -12.200 622 2HH1 ARG 97 2HH1 ARG 97 8.091 -4.964 -10.571 623 1HH2 ARG 97 1HH2 ARG 97 5.353 -3.373 -9.136 624 2HH2 ARG 97 2HH2 ARG 97 6.912 -4.101 -8.871 625 H ALA 98 H ALA 98 -0.091 -2.151 -13.061 626 HA ALA 98 HA ALA 98 -1.441 -4.055 -14.622 627 1HB ALA 98 1HB ALA 98 -2.627 -1.807 -13.004 628 2HB ALA 98 2HB ALA 98 -2.186 -3.400 -12.387 629 3HB ALA 98 3HB ALA 98 -3.481 -3.239 -13.573 630 H ARG 99 H ARG 99 -1.321 -0.530 -14.854 631 HA ARG 99 HA ARG 99 -3.358 -0.374 -16.851 632 1HB ARG 99 2HB ARG 99 -2.851 1.418 -15.203 633 2HB ARG 99 1HB ARG 99 -1.338 1.719 -16.039 634 1HG ARG 99 2HG ARG 99 -3.635 1.810 -17.817 635 2HG ARG 99 1HG ARG 99 -3.738 2.976 -16.496 636 1HD ARG 99 2HD ARG 99 -2.435 4.292 -17.735 637 2HD ARG 99 1HD ARG 99 -1.121 3.190 -17.335 638 HE ARG 99 HE ARG 99 -1.968 1.973 -19.465 639 1HH1 ARG 99 1HH1 ARG 99 -1.892 5.427 -18.939 640 2HH1 ARG 99 2HH1 ARG 99 -1.684 5.815 -20.623 641 1HH2 ARG 99 1HH2 ARG 99 -1.687 2.482 -21.709 642 2HH2 ARG 99 2HH2 ARG 99 -1.572 4.148 -22.179 643 H GLN 100 H GLN 100 0.090 -0.783 -16.935 644 HA GLN 100 HA GLN 100 0.566 0.153 -19.559 645 1HB GLN 100 2HB GLN 100 2.028 -1.954 -17.960 646 2HB GLN 100 1HB GLN 100 2.605 -1.279 -19.477 647 1HG GLN 100 2HG GLN 100 2.690 0.938 -18.437 648 2HG GLN 100 1HG GLN 100 2.151 0.231 -16.915 649 1HE2 GLN 100 1HE2 GLN 100 3.976 0.758 -15.780 650 2HE2 GLN 100 2HE2 GLN 100 5.516 0.028 -16.073 651 H SER 101 H SER 101 -0.196 -3.088 -18.321 652 HA SER 101 HA SER 101 -0.248 -4.085 -21.067 653 1HB SER 101 2HB SER 101 -0.449 -5.629 -18.477 654 2HB SER 101 1HB SER 101 -0.192 -6.301 -20.088 655 HG SER 101 HG SER 101 1.683 -4.525 -19.796 656 H LYS 102 H LYS 102 -2.302 -4.209 -18.142 657 HA LYS 102 HA LYS 102 -4.479 -5.275 -19.760 658 1HB LYS 102 2HB LYS 102 -3.733 -6.120 -17.427 659 2HB LYS 102 1HB LYS 102 -4.611 -4.728 -16.810 660 1HG LYS 102 2HG LYS 102 -6.668 -5.539 -17.720 661 2HG LYS 102 1HG LYS 102 -5.831 -6.843 -18.570 662 1HD LYS 102 2HD LYS 102 -5.056 -7.660 -16.316 663 2HD LYS 102 1HD LYS 102 -6.167 -6.494 -15.595 664 1HE LYS 102 2HE LYS 102 -8.049 -7.565 -16.674 665 2HE LYS 102 1HE LYS 102 -6.964 -8.671 -17.523 666 1HZ LYS 102 1HZ LYS 102 -6.253 -9.494 -15.305 667 2HZ LYS 102 2HZ LYS 102 -7.881 -9.804 -15.653 668 3HZ LYS 102 3HZ LYS 102 -7.466 -8.546 -14.593 669 H LYS 103 H LYS 103 -3.858 -2.596 -17.551 670 HA LYS 103 HA LYS 103 -4.290 -0.370 -17.978 671 1HB LYS 103 2HB LYS 103 -6.634 -1.285 -19.627 672 2HB LYS 103 1HB LYS 103 -6.322 0.398 -19.219 673 1HG LYS 103 2HG LYS 103 -4.085 0.177 -20.290 674 2HG LYS 103 1HG LYS 103 -4.553 -1.438 -20.818 675 1HD LYS 103 2HD LYS 103 -4.931 0.042 -22.642 676 2HD LYS 103 1HD LYS 103 -6.511 -0.383 -21.981 677 1HE LYS 103 2HE LYS 103 -6.612 1.720 -20.787 678 2HE LYS 103 1HE LYS 103 -4.988 2.137 -21.331 679 1HZ LYS 103 1HZ LYS 103 -6.701 3.244 -22.640 680 2HZ LYS 103 2HZ LYS 103 -7.341 1.744 -23.096 681 3HZ LYS 103 3HZ LYS 103 -5.784 2.188 -23.600 682 HA PRO 104 HA PRO 104 -8.346 -0.455 -15.277 683 1HB PRO 104 2HB PRO 104 -8.559 -3.367 -14.755 684 2HB PRO 104 1HB PRO 104 -9.835 -2.169 -15.001 685 1HG PRO 104 2HG PRO 104 -9.251 -3.940 -16.899 686 2HG PRO 104 1HG PRO 104 -9.657 -2.261 -17.312 687 1HD PRO 104 2HD PRO 104 -6.974 -3.590 -17.183 688 2HD PRO 104 1HD PRO 104 -7.604 -2.442 -18.382 689 H ILE 105 H ILE 105 -7.510 0.284 -13.468 690 HA ILE 105 HA ILE 105 -5.206 -0.880 -12.239 691 HB ILE 105 HB ILE 105 -5.429 1.514 -12.274 692 1HG1 ILE 105 2HG1 ILE 105 -4.424 0.273 -10.212 693 2HG1 ILE 105 1HG1 ILE 105 -4.664 2.012 -10.153 694 1HG2 ILE 105 1HG2 ILE 105 -7.918 1.170 -10.628 695 2HG2 ILE 105 2HG2 ILE 105 -7.819 1.736 -12.296 696 3HG2 ILE 105 3HG2 ILE 105 -7.138 2.708 -10.991 697 1HD1 ILE 105 1HD1 ILE 105 -6.453 -0.071 -8.910 698 2HD1 ILE 105 2HD1 ILE 105 -6.725 1.672 -8.867 699 3HD1 ILE 105 3HD1 ILE 105 -5.314 0.979 -8.067 700 H GLN 106 H GLN 106 -8.642 -0.760 -11.467 701 HA GLN 106 HA GLN 106 -8.599 -1.646 -8.831 702 1HB GLN 106 2HB GLN 106 -10.583 -0.777 -10.014 703 2HB GLN 106 1HB GLN 106 -10.662 -2.256 -10.955 704 1HG GLN 106 2HG GLN 106 -12.298 -2.195 -9.130 705 2HG GLN 106 1HG GLN 106 -11.172 -3.541 -8.988 706 1HE2 GLN 106 1HE2 GLN 106 -9.862 -3.679 -7.250 707 2HE2 GLN 106 2HE2 GLN 106 -9.917 -2.584 -5.909 708 H ASP 107 H ASP 107 -8.264 -3.461 -11.801 709 HA ASP 107 HA ASP 107 -8.732 -6.058 -10.887 710 1HB ASP 107 2HB ASP 107 -8.492 -5.534 -13.255 711 2HB ASP 107 1HB ASP 107 -6.806 -5.090 -13.010 712 H GLU 108 H GLU 108 -5.700 -4.208 -10.994 713 HA GLU 108 HA GLU 108 -4.199 -6.352 -9.835 714 1HB GLU 108 2HB GLU 108 -3.170 -4.745 -11.391 715 2HB GLU 108 1HB GLU 108 -3.425 -3.456 -10.227 716 1HG GLU 108 2HG GLU 108 -1.098 -4.419 -10.368 717 2HG GLU 108 1HG GLU 108 -1.801 -4.305 -8.763 718 H LEU 109 H LEU 109 -5.820 -3.460 -8.591 719 HA LEU 109 HA LEU 109 -4.718 -3.561 -6.001 720 1HB LEU 109 2HB LEU 109 -6.124 -1.674 -6.725 721 2HB LEU 109 1HB LEU 109 -7.526 -2.736 -6.750 722 HG LEU 109 HG LEU 109 -7.009 -3.181 -4.273 723 1HD1 LEU 109 1HD1 LEU 109 -5.420 -0.656 -4.648 724 2HD1 LEU 109 2HD1 LEU 109 -4.781 -2.246 -4.226 725 3HD1 LEU 109 3HD1 LEU 109 -5.842 -1.394 -3.104 726 1HD2 LEU 109 1HD2 LEU 109 -8.927 -1.890 -5.037 727 2HD2 LEU 109 2HD2 LEU 109 -7.930 -0.434 -5.084 728 3HD2 LEU 109 3HD2 LEU 109 -8.247 -1.238 -3.547 729 H ASP 110 H ASP 110 -7.640 -5.090 -7.337 730 HA ASP 110 HA ASP 110 -8.349 -6.550 -5.053 731 1HB ASP 110 2HB ASP 110 -8.831 -6.941 -7.983 732 2HB ASP 110 1HB ASP 110 -9.244 -8.236 -6.865 733 H ALA 111 H ALA 111 -6.109 -7.261 -7.677 734 HA ALA 111 HA ALA 111 -5.393 -9.850 -6.896 735 1HB ALA 111 1HB ALA 111 -3.376 -9.528 -8.218 736 2HB ALA 111 2HB ALA 111 -3.658 -7.787 -8.251 737 3HB ALA 111 3HB ALA 111 -4.782 -8.878 -9.063 738 H ILE 112 H ILE 112 -3.808 -6.739 -6.124 739 HA ILE 112 HA ILE 112 -1.838 -7.615 -4.401 740 HB ILE 112 HB ILE 112 -3.522 -5.120 -4.142 741 1HG1 ILE 112 2HG1 ILE 112 -0.793 -5.465 -5.388 742 2HG1 ILE 112 1HG1 ILE 112 -2.299 -5.399 -6.299 743 1HG2 ILE 112 1HG2 ILE 112 -0.870 -5.792 -2.880 744 2HG2 ILE 112 2HG2 ILE 112 -2.407 -5.552 -2.049 745 3HG2 ILE 112 3HG2 ILE 112 -1.624 -4.198 -2.866 746 1HD1 ILE 112 1HD1 ILE 112 -1.177 -3.252 -6.323 747 2HD1 ILE 112 2HD1 ILE 112 -1.182 -3.208 -4.560 748 3HD1 ILE 112 3HD1 ILE 112 -2.704 -3.139 -5.449 749 H THR 113 H THR 113 -5.125 -6.637 -3.552 750 HA THR 113 HA THR 113 -4.999 -7.131 -0.811 751 HB THR 113 HB THR 113 -7.509 -7.437 -2.464 752 HG1 THR 113 HG1 THR 113 -6.601 -5.554 -3.250 753 1HG2 THR 113 1HG2 THR 113 -6.976 -6.227 0.253 754 2HG2 THR 113 2HG2 THR 113 -7.742 -7.786 -0.057 755 3HG2 THR 113 3HG2 THR 113 -8.544 -6.296 -0.553 756 H GLU 114 H GLU 114 -5.974 -9.190 -3.507 757 HA GLU 114 HA GLU 114 -6.754 -11.446 -1.983 758 1HB GLU 114 2HB GLU 114 -7.502 -10.977 -4.279 759 2HB GLU 114 1HB GLU 114 -5.866 -11.223 -4.864 760 1HG GLU 114 2HG GLU 114 -5.954 -13.537 -4.402 761 2HG GLU 114 1HG GLU 114 -7.445 -13.362 -3.471 762 H LYS 115 H LYS 115 -3.725 -10.534 -3.576 763 HA LYS 115 HA LYS 115 -2.286 -12.904 -3.122 764 1HB LYS 115 2HB LYS 115 -1.344 -10.039 -3.370 765 2HB LYS 115 1HB LYS 115 -0.258 -11.420 -3.319 766 1HG LYS 115 2HG LYS 115 -0.997 -12.224 -5.392 767 2HG LYS 115 1HG LYS 115 -2.433 -11.197 -5.372 768 1HD LYS 115 2HD LYS 115 -0.970 -9.207 -5.548 769 2HD LYS 115 1HD LYS 115 0.433 -10.275 -5.654 770 1HE LYS 115 2HE LYS 115 -0.377 -11.225 -7.705 771 2HE LYS 115 1HE LYS 115 -1.895 -10.344 -7.564 772 1HZ LYS 115 1HZ LYS 115 -0.708 -8.269 -7.873 773 2HZ LYS 115 2HZ LYS 115 -0.374 -9.320 -9.154 774 3HZ LYS 115 3HZ LYS 115 0.775 -9.092 -7.940 775 H LEU 116 H LEU 116 -2.264 -9.868 -1.249 776 HA LEU 116 HA LEU 116 -0.515 -10.857 0.748 777 1HB LEU 116 2HB LEU 116 -2.424 -8.533 0.819 778 2HB LEU 116 1HB LEU 116 -1.188 -8.842 2.019 779 HG LEU 116 HG LEU 116 -0.696 -8.215 -0.893 780 1HD1 LEU 116 1HD1 LEU 116 -1.493 -6.296 0.400 781 2HD1 LEU 116 2HD1 LEU 116 0.198 -6.110 -0.065 782 3HD1 LEU 116 3HD1 LEU 116 -0.217 -6.569 1.587 783 1HD2 LEU 116 1HD2 LEU 116 0.999 -9.709 -0.023 784 2HD2 LEU 116 2HD2 LEU 116 1.217 -8.676 1.389 785 3HD2 LEU 116 3HD2 LEU 116 1.665 -8.087 -0.212 786 H ALA 117 H ALA 117 -3.864 -11.297 0.265 787 HA ALA 117 HA ALA 117 -4.776 -11.623 2.895 788 1HB ALA 117 1HB ALA 117 -6.275 -11.510 0.960 789 2HB ALA 117 2HB ALA 117 -6.579 -12.950 1.931 790 3HB ALA 117 3HB ALA 117 -5.687 -13.082 0.416 791 H LYS 118 H LYS 118 -3.121 -13.832 0.699 792 HA LYS 118 HA LYS 118 -3.016 -15.843 2.840 793 1HB LYS 118 2HB LYS 118 -3.764 -16.466 0.472 794 2HB LYS 118 1HB LYS 118 -2.087 -16.227 -0.003 795 1HG LYS 118 2HG LYS 118 -1.532 -17.888 1.875 796 2HG LYS 118 1HG LYS 118 -3.245 -18.304 1.816 797 1HD LYS 118 2HD LYS 118 -2.265 -19.846 0.379 798 2HD LYS 118 1HD LYS 118 -2.863 -18.594 -0.712 799 1HE LYS 118 2HE LYS 118 -0.645 -19.200 -1.394 800 2HE LYS 118 1HE LYS 118 -0.597 -17.579 -0.704 801 1HZ LYS 118 1HZ LYS 118 1.254 -18.929 0.081 802 2HZ LYS 118 2HZ LYS 118 0.179 -20.083 0.705 803 3HZ LYS 118 3HZ LYS 118 0.230 -18.529 1.371 804 H LEU 119 H LEU 119 -1.184 -13.426 1.310 805 HA LEU 119 HA LEU 119 1.391 -14.724 1.657 806 1HB LEU 119 2HB LEU 119 0.700 -13.125 -0.240 807 2HB LEU 119 1HB LEU 119 0.915 -11.840 0.930 808 HG LEU 119 HG LEU 119 3.291 -12.538 1.197 809 1HD1 LEU 119 1HD1 LEU 119 3.039 -14.876 0.524 810 2HD1 LEU 119 2HD1 LEU 119 4.266 -14.062 -0.448 811 3HD1 LEU 119 3HD1 LEU 119 2.665 -14.369 -1.123 812 1HD2 LEU 119 1HD2 LEU 119 2.661 -10.717 -0.311 813 2HD2 LEU 119 2HD2 LEU 119 2.436 -11.873 -1.624 814 3HD2 LEU 119 3HD2 LEU 119 4.042 -11.616 -0.941 815 H GLU 120 H GLU 120 -0.539 -13.862 3.863 816 HA GLU 120 HA GLU 120 -0.551 -12.904 5.914 817 1HB GLU 120 2HB GLU 120 2.294 -13.906 5.823 818 2HB GLU 120 1HB GLU 120 1.416 -13.474 7.286 819 1HG GLU 120 2HG GLU 120 -0.281 -15.225 6.640 820 2HG GLU 120 1HG GLU 120 0.856 -15.745 5.398 Start of MODEL 2 1 H ASN 18 H ASN 18 0.254 -10.610 6.681 2 HA ASN 18 HA ASN 18 -0.294 -9.036 4.297 3 1HB ASN 18 2HB ASN 18 -0.539 -12.051 4.424 4 2HB ASN 18 1HB ASN 18 -1.150 -11.048 3.114 5 1HD2 ASN 18 1HD2 ASN 18 1.644 -12.431 4.602 6 2HD2 ASN 18 2HD2 ASN 18 2.769 -12.032 3.348 7 H TRP 19 H TRP 19 -1.845 -7.910 5.268 8 HA TRP 19 HA TRP 19 -3.882 -8.772 6.922 9 1HB TRP 19 2HB TRP 19 -5.174 -6.791 5.973 10 2HB TRP 19 1HB TRP 19 -3.615 -6.448 6.704 11 HD1 TRP 19 HD1 TRP 19 -2.805 -7.765 3.385 12 HE1 TRP 19 HE1 TRP 19 -2.409 -5.861 1.702 13 HE3 TRP 19 HE3 TRP 19 -4.817 -3.900 6.035 14 HZ2 TRP 19 HZ2 TRP 19 -2.885 -3.088 1.524 15 HZ3 TRP 19 HZ3 TRP 19 -4.811 -1.645 5.045 16 HH2 TRP 19 HH2 TRP 19 -3.864 -1.251 2.832 17 H ASP 20 H ASP 20 -6.051 -9.303 6.599 18 HA ASP 20 HA ASP 20 -6.487 -11.089 4.381 19 1HB ASP 20 2HB ASP 20 -7.224 -11.789 6.570 20 2HB ASP 20 1HB ASP 20 -8.184 -10.328 6.767 21 H ASP 21 H ASP 21 -8.230 -10.992 2.915 22 HA ASP 21 HA ASP 21 -8.680 -8.700 1.507 23 1HB ASP 21 2HB ASP 21 -9.353 -10.891 0.682 24 2HB ASP 21 1HB ASP 21 -10.609 -10.997 1.901 25 H ALA 22 H ALA 22 -10.808 -10.032 3.997 26 HA ALA 22 HA ALA 22 -12.742 -7.965 3.776 27 1HB ALA 22 1HB ALA 22 -12.282 -9.960 5.988 28 2HB ALA 22 2HB ALA 22 -13.287 -10.209 4.559 29 3HB ALA 22 3HB ALA 22 -13.734 -8.989 5.753 30 H ASP 23 H ASP 23 -10.018 -8.594 5.905 31 HA ASP 23 HA ASP 23 -10.512 -6.541 7.768 32 1HB ASP 23 2HB ASP 23 -8.940 -8.438 8.138 33 2HB ASP 23 1HB ASP 23 -7.827 -7.697 6.994 34 H VAL 24 H VAL 24 -8.716 -6.574 4.716 35 HA VAL 24 HA VAL 24 -7.382 -4.161 4.843 36 HB VAL 24 HB VAL 24 -8.753 -5.310 2.402 37 1HG1 VAL 24 1HG1 VAL 24 -8.164 -3.005 2.023 38 2HG1 VAL 24 2HG1 VAL 24 -7.049 -4.045 1.136 39 3HG1 VAL 24 3HG1 VAL 24 -6.536 -3.281 2.642 40 1HG2 VAL 24 1HG2 VAL 24 -5.921 -5.666 3.373 41 2HG2 VAL 24 2HG2 VAL 24 -6.607 -6.325 1.886 42 3HG2 VAL 24 3HG2 VAL 24 -7.194 -6.881 3.454 43 H LYS 25 H LYS 25 -10.664 -4.648 3.549 44 HA LYS 25 HA LYS 25 -11.090 -1.934 2.909 45 1HB LYS 25 2HB LYS 25 -12.363 -4.234 2.310 46 2HB LYS 25 1HB LYS 25 -13.436 -3.629 3.560 47 1HG LYS 25 2HG LYS 25 -12.631 -2.010 1.158 48 2HG LYS 25 1HG LYS 25 -14.053 -3.050 1.199 49 1HD LYS 25 2HD LYS 25 -14.926 -1.754 3.096 50 2HD LYS 25 1HD LYS 25 -13.510 -0.700 3.012 51 1HE LYS 25 2HE LYS 25 -14.126 0.041 0.811 52 2HE LYS 25 1HE LYS 25 -15.443 -1.128 0.738 53 1HZ LYS 25 1HZ LYS 25 -15.276 1.158 2.633 54 2HZ LYS 25 2HZ LYS 25 -16.550 0.043 2.525 55 3HZ LYS 25 3HZ LYS 25 -16.236 1.100 1.241 56 H LYS 26 H LYS 26 -11.904 -3.870 5.745 57 HA LYS 26 HA LYS 26 -13.331 -1.827 7.106 58 1HB LYS 26 2HB LYS 26 -11.901 -4.242 8.233 59 2HB LYS 26 1HB LYS 26 -13.060 -3.244 9.100 60 1HG LYS 26 2HG LYS 26 -14.777 -3.874 7.429 61 2HG LYS 26 1HG LYS 26 -13.606 -4.966 6.691 62 1HD LYS 26 2HD LYS 26 -14.708 -6.424 8.075 63 2HD LYS 26 1HD LYS 26 -13.419 -5.890 9.151 64 1HE LYS 26 2HE LYS 26 -16.238 -4.819 9.081 65 2HE LYS 26 1HE LYS 26 -15.578 -5.915 10.291 66 1HZ LYS 26 1HZ LYS 26 -15.571 -3.724 11.171 67 2HZ LYS 26 2HZ LYS 26 -14.786 -3.094 9.807 68 3HZ LYS 26 3HZ LYS 26 -13.955 -4.144 10.854 69 H ARG 27 H ARG 27 -9.985 -2.909 7.136 70 HA ARG 27 HA ARG 27 -8.913 -1.385 9.180 71 1HB ARG 27 2HB ARG 27 -7.754 -3.141 7.791 72 2HB ARG 27 1HB ARG 27 -7.594 -1.943 6.516 73 1HG ARG 27 2HG ARG 27 -5.531 -2.077 7.697 74 2HG ARG 27 1HG ARG 27 -6.292 -0.532 8.087 75 1HD ARG 27 2HD ARG 27 -5.344 -1.600 10.074 76 2HD ARG 27 1HD ARG 27 -7.095 -1.437 10.193 77 HE ARG 27 HE ARG 27 -6.814 -3.935 9.212 78 1HH1 ARG 27 1HH1 ARG 27 -5.320 -2.301 11.925 79 2HH1 ARG 27 2HH1 ARG 27 -5.152 -3.747 12.874 80 1HH2 ARG 27 1HH2 ARG 27 -6.622 -5.823 10.446 81 2HH2 ARG 27 2HH2 ARG 27 -5.881 -5.756 12.022 82 H TRP 28 H TRP 28 -9.353 -0.515 5.769 83 HA TRP 28 HA TRP 28 -8.331 2.103 5.934 84 1HB TRP 28 2HB TRP 28 -10.343 0.853 4.057 85 2HB TRP 28 1HB TRP 28 -9.740 2.494 3.863 86 HD1 TRP 28 HD1 TRP 28 -6.854 0.591 5.001 87 HE1 TRP 28 HE1 TRP 28 -5.385 -0.147 3.016 88 HE3 TRP 28 HE3 TRP 28 -10.157 1.419 1.187 89 HZ2 TRP 28 HZ2 TRP 28 -5.610 -0.370 0.210 90 HZ3 TRP 28 HZ3 TRP 28 -9.456 0.910 -1.113 91 HH2 TRP 28 HH2 TRP 28 -7.229 0.035 -1.591 92 H ASP 29 H ASP 29 -11.624 0.849 6.195 93 HA ASP 29 HA ASP 29 -12.983 3.258 6.560 94 1HB ASP 29 2HB ASP 29 -14.227 1.267 6.114 95 2HB ASP 29 1HB ASP 29 -13.575 0.464 7.538 96 H ALA 30 H ALA 30 -11.486 1.107 8.941 97 HA ALA 30 HA ALA 30 -12.339 2.379 11.269 98 1HB ALA 30 1HB ALA 30 -11.273 0.178 11.238 99 2HB ALA 30 2HB ALA 30 -10.478 1.266 12.375 100 3HB ALA 30 3HB ALA 30 -9.735 0.929 10.812 101 H PHE 31 H PHE 31 -9.327 2.928 9.423 102 HA PHE 31 HA PHE 31 -8.343 4.929 11.171 103 1HB PHE 31 2HB PHE 31 -7.697 4.338 8.280 104 2HB PHE 31 1HB PHE 31 -6.848 5.542 9.240 105 HD1 PHE 31 HD1 PHE 31 -6.344 2.531 7.917 106 HD2 PHE 31 HD2 PHE 31 -6.385 4.338 11.770 107 HE1 PHE 31 HE1 PHE 31 -4.810 0.797 8.740 108 HE2 PHE 31 HE2 PHE 31 -4.852 2.601 12.603 109 HZ PHE 31 HZ PHE 31 -4.061 0.830 11.086 110 H THR 32 H THR 32 -10.553 5.001 8.495 111 HA THR 32 HA THR 32 -10.436 7.843 8.124 112 HB THR 32 HB THR 32 -12.540 5.884 7.182 113 HG1 THR 32 HG1 THR 32 -10.605 5.246 6.300 114 1HG2 THR 32 1HG2 THR 32 -11.806 8.649 6.209 115 2HG2 THR 32 2HG2 THR 32 -13.292 8.200 7.047 116 3HG2 THR 32 3HG2 THR 32 -12.963 7.568 5.433 117 H LYS 33 H LYS 33 -12.551 5.578 9.801 118 HA LYS 33 HA LYS 33 -14.543 7.538 10.443 119 1HB LYS 33 2HB LYS 33 -14.815 4.990 10.168 120 2HB LYS 33 1HB LYS 33 -14.199 4.880 11.810 121 1HG LYS 33 2HG LYS 33 -16.052 6.352 12.551 122 2HG LYS 33 1HG LYS 33 -16.696 6.300 10.910 123 1HD LYS 33 2HD LYS 33 -16.427 4.047 12.885 124 2HD LYS 33 1HD LYS 33 -17.893 4.664 12.124 125 1HE LYS 33 2HE LYS 33 -15.645 3.202 10.743 126 2HE LYS 33 1HE LYS 33 -17.217 2.527 11.154 127 1HZ LYS 33 1HZ LYS 33 -18.275 3.845 9.558 128 2HZ LYS 33 2HZ LYS 33 -16.864 3.295 8.784 129 3HZ LYS 33 3HZ LYS 33 -16.943 4.880 9.378 130 H PHE 34 H PHE 34 -11.915 5.952 12.205 131 HA PHE 34 HA PHE 34 -12.650 7.315 14.663 132 1HB PHE 34 2HB PHE 34 -10.576 5.226 13.994 133 2HB PHE 34 1HB PHE 34 -10.714 5.963 15.582 134 HD1 PHE 34 HD1 PHE 34 -12.181 3.620 13.221 135 HD2 PHE 34 HD2 PHE 34 -12.651 5.521 16.997 136 HE1 PHE 34 HE1 PHE 34 -13.894 1.964 13.838 137 HE2 PHE 34 HE2 PHE 34 -14.360 3.869 17.622 138 HZ PHE 34 HZ PHE 34 -14.985 2.085 16.042 139 H GLY 35 H GLY 35 -9.850 7.288 15.587 140 1HA GLY 35 2HA GLY 35 -9.037 9.822 14.340 141 2HA GLY 35 1HA GLY 35 -8.844 9.459 16.050 142 H ALA 36 H ALA 36 -7.792 8.634 12.833 143 HA ALA 36 HA ALA 36 -5.627 6.964 13.667 144 1HB ALA 36 1HB ALA 36 -6.103 8.277 10.991 145 2HB ALA 36 2HB ALA 36 -6.700 6.691 11.477 146 3HB ALA 36 3HB ALA 36 -4.966 6.973 11.326 147 H ALA 37 H ALA 37 -4.916 8.610 15.261 148 HA ALA 37 HA ALA 37 -3.657 11.006 14.423 149 1HB ALA 37 1HB ALA 37 -4.519 10.689 16.680 150 2HB ALA 37 2HB ALA 37 -2.805 11.102 16.706 151 3HB ALA 37 3HB ALA 37 -3.316 9.434 16.968 152 H THR 38 H THR 38 -2.506 7.740 15.043 153 HA THR 38 HA THR 38 0.262 8.399 14.798 154 HB THR 38 HB THR 38 -0.994 5.663 14.479 155 HG1 THR 38 HG1 THR 38 -0.314 5.644 16.857 156 1HG2 THR 38 1HG2 THR 38 1.164 4.868 15.288 157 2HG2 THR 38 2HG2 THR 38 1.739 6.529 15.432 158 3HG2 THR 38 3HG2 THR 38 1.378 5.854 13.843 159 H ALA 39 H ALA 39 -2.303 7.629 12.614 160 HA ALA 39 HA ALA 39 -0.537 7.178 10.365 161 1HB ALA 39 1HB ALA 39 -2.599 7.005 9.044 162 2HB ALA 39 2HB ALA 39 -3.538 7.481 10.459 163 3HB ALA 39 3HB ALA 39 -2.650 5.957 10.462 164 H THR 40 H THR 40 -0.030 9.533 11.628 165 HA THR 40 HA THR 40 -1.240 11.751 10.279 166 HB THR 40 HB THR 40 -0.271 11.797 12.593 167 HG1 THR 40 HG1 THR 40 -0.596 13.781 11.641 168 1HG2 THR 40 1HG2 THR 40 1.758 10.506 12.198 169 2HG2 THR 40 2HG2 THR 40 2.154 12.095 12.854 170 3HG2 THR 40 3HG2 THR 40 2.371 11.771 11.133 171 H GLU 41 H GLU 41 1.449 9.637 9.833 172 HA GLU 41 HA GLU 41 1.774 10.282 7.114 173 1HB GLU 41 2HB GLU 41 4.012 11.205 7.124 174 2HB GLU 41 1HB GLU 41 2.973 12.244 8.090 175 1HG GLU 41 2HG GLU 41 3.894 11.405 10.120 176 2HG GLU 41 1HG GLU 41 4.770 10.136 9.264 177 H MET 42 H MET 42 3.140 8.694 6.083 178 HA MET 42 HA MET 42 3.699 6.462 7.924 179 1HB MET 42 2HB MET 42 2.074 5.966 6.171 180 2HB MET 42 1HB MET 42 3.242 6.432 4.939 181 1HG MET 42 2HG MET 42 3.031 3.996 5.199 182 2HG MET 42 1HG MET 42 4.663 4.587 5.499 183 1HE MET 42 1HE MET 42 5.308 2.275 6.674 184 2HE MET 42 2HE MET 42 3.679 1.695 6.321 185 3HE MET 42 3HE MET 42 4.334 1.539 7.949 186 H THR 43 H THR 43 5.684 5.550 8.086 187 HA THR 43 HA THR 43 7.938 7.015 7.147 188 HB THR 43 HB THR 43 9.158 4.866 8.007 189 HG1 THR 43 HG1 THR 43 6.892 4.494 9.595 190 1HG2 THR 43 1HG2 THR 43 9.189 7.007 9.169 191 2HG2 THR 43 2HG2 THR 43 8.970 5.691 10.323 192 3HG2 THR 43 3HG2 THR 43 7.593 6.683 9.846 193 H GLY 44 H GLY 44 8.985 6.837 5.296 194 1HA GLY 44 2HA GLY 44 7.966 5.441 3.132 195 2HA GLY 44 1HA GLY 44 9.576 6.136 3.201 196 H LYS 45 H LYS 45 10.948 4.640 4.922 197 HA LYS 45 HA LYS 45 11.615 2.467 3.273 198 1HB LYS 45 2HB LYS 45 13.131 3.757 4.839 199 2HB LYS 45 1HB LYS 45 12.442 2.821 6.154 200 1HG LYS 45 2HG LYS 45 13.694 1.444 3.813 201 2HG LYS 45 1HG LYS 45 14.691 2.095 5.111 202 1HD LYS 45 2HD LYS 45 12.488 0.051 5.400 203 2HD LYS 45 1HD LYS 45 14.222 -0.260 5.491 204 1HE LYS 45 2HE LYS 45 12.589 1.429 7.381 205 2HE LYS 45 1HE LYS 45 13.287 -0.152 7.720 206 1HZ LYS 45 1HZ LYS 45 14.596 1.699 8.632 207 2HZ LYS 45 2HZ LYS 45 14.864 2.281 7.063 208 3HZ LYS 45 3HZ LYS 45 15.483 0.769 7.522 209 H ASN 46 H ASN 46 9.808 2.624 6.306 210 HA ASN 46 HA ASN 46 9.544 -0.182 6.634 211 1HB ASN 46 2HB ASN 46 7.886 2.106 7.718 212 2HB ASN 46 1HB ASN 46 7.682 0.426 8.202 213 1HD2 ASN 46 1HD2 ASN 46 8.453 2.829 9.704 214 2HD2 ASN 46 2HD2 ASN 46 9.946 2.424 10.489 215 H PHE 47 H PHE 47 7.745 2.273 4.931 216 HA PHE 47 HA PHE 47 5.481 0.650 4.315 217 1HB PHE 47 2HB PHE 47 5.677 3.222 4.306 218 2HB PHE 47 1HB PHE 47 6.409 3.033 2.718 219 HD1 PHE 47 HD1 PHE 47 5.014 3.346 0.941 220 HD2 PHE 47 HD2 PHE 47 3.416 1.753 4.548 221 HE1 PHE 47 HE1 PHE 47 2.772 3.316 -0.065 222 HE2 PHE 47 HE2 PHE 47 1.171 1.724 3.547 223 HZ PHE 47 HZ PHE 47 0.847 2.509 1.237 224 H ASP 48 H ASP 48 8.528 1.428 2.699 225 HA ASP 48 HA ASP 48 8.187 0.123 0.273 226 1HB ASP 48 2HB ASP 48 10.572 0.618 2.023 227 2HB ASP 48 1HB ASP 48 10.741 -0.410 0.610 228 H LYS 49 H LYS 49 9.010 -1.167 3.434 229 HA LYS 49 HA LYS 49 9.553 -3.806 2.445 230 1HB LYS 49 2HB LYS 49 10.626 -2.894 4.512 231 2HB LYS 49 1HB LYS 49 9.055 -2.956 5.303 232 1HG LYS 49 2HG LYS 49 8.994 -5.397 4.882 233 2HG LYS 49 1HG LYS 49 10.630 -5.286 4.233 234 1HD LYS 49 2HD LYS 49 11.415 -4.432 6.400 235 2HD LYS 49 1HD LYS 49 9.778 -4.583 7.043 236 1HE LYS 49 2HE LYS 49 11.508 -6.826 6.007 237 2HE LYS 49 1HE LYS 49 11.132 -6.495 7.698 238 1HZ LYS 49 1HZ LYS 49 9.019 -7.045 5.704 239 2HZ LYS 49 2HZ LYS 49 8.906 -7.119 7.392 240 3HZ LYS 49 3HZ LYS 49 9.793 -8.290 6.546 241 H TRP 50 H TRP 50 6.964 -2.244 4.267 242 HA TRP 50 HA TRP 50 5.185 -4.366 4.475 243 1HB TRP 50 2HB TRP 50 4.640 -2.417 5.671 244 2HB TRP 50 1HB TRP 50 4.834 -1.384 4.262 245 HD1 TRP 50 HD1 TRP 50 2.652 -0.547 3.295 246 HE1 TRP 50 HE1 TRP 50 0.200 -1.316 3.295 247 HE3 TRP 50 HE3 TRP 50 3.178 -4.957 5.831 248 HZ2 TRP 50 HZ2 TRP 50 -1.313 -3.494 4.244 249 HZ3 TRP 50 HZ3 TRP 50 1.172 -6.321 6.241 250 HH2 TRP 50 HH2 TRP 50 -1.025 -5.602 5.462 251 H LEU 51 H LEU 51 5.826 -2.185 1.779 252 HA LEU 51 HA LEU 51 3.652 -3.196 0.182 253 1HB LEU 51 2HB LEU 51 5.771 -1.190 -0.099 254 2HB LEU 51 1HB LEU 51 5.371 -2.011 -1.595 255 HG LEU 51 HG LEU 51 4.140 0.124 -1.247 256 1HD1 LEU 51 1HD1 LEU 51 2.429 -2.354 -1.339 257 2HD1 LEU 51 2HD1 LEU 51 3.274 -1.627 -2.706 258 3HD1 LEU 51 3HD1 LEU 51 1.972 -0.747 -1.907 259 1HD2 LEU 51 1HD2 LEU 51 2.294 0.155 0.365 260 2HD2 LEU 51 2HD2 LEU 51 3.858 0.001 1.166 261 3HD2 LEU 51 3HD2 LEU 51 2.818 -1.411 0.988 262 H LYS 52 H LYS 52 7.076 -3.838 0.475 263 HA LYS 52 HA LYS 52 7.283 -5.495 -1.831 264 1HB LYS 52 2HB LYS 52 9.202 -4.333 -0.791 265 2HB LYS 52 1HB LYS 52 9.044 -5.365 0.623 266 1HG LYS 52 2HG LYS 52 9.403 -7.324 -0.938 267 2HG LYS 52 1HG LYS 52 9.882 -6.135 -2.152 268 1HD LYS 52 2HD LYS 52 11.845 -6.991 -1.013 269 2HD LYS 52 1HD LYS 52 11.607 -5.289 -0.607 270 1HE LYS 52 2HE LYS 52 10.600 -5.908 1.510 271 2HE LYS 52 1HE LYS 52 10.728 -7.616 1.099 272 1HZ LYS 52 1HZ LYS 52 12.504 -7.023 2.556 273 2HZ LYS 52 2HZ LYS 52 12.970 -5.728 1.564 274 3HZ LYS 52 3HZ LYS 52 13.161 -7.324 1.019 275 H ASP 53 H ASP 53 6.803 -6.116 1.623 276 HA ASP 53 HA ASP 53 7.011 -8.937 1.490 277 1HB ASP 53 2HB ASP 53 7.050 -7.352 3.557 278 2HB ASP 53 1HB ASP 53 5.299 -7.504 3.510 279 H ALA 54 H ALA 54 4.229 -6.735 1.471 280 HA ALA 54 HA ALA 54 2.197 -8.617 1.130 281 1HB ALA 54 1HB ALA 54 2.322 -5.810 0.029 282 2HB ALA 54 2HB ALA 54 1.780 -6.259 1.646 283 3HB ALA 54 3HB ALA 54 0.864 -6.782 0.233 284 H GLY 55 H GLY 55 4.501 -7.297 -1.124 285 1HA GLY 55 2HA GLY 55 5.196 -8.470 -3.053 286 2HA GLY 55 1HA GLY 55 3.646 -9.298 -3.080 287 H VAL 56 H VAL 56 3.529 -5.921 -2.565 288 HA VAL 56 HA VAL 56 2.369 -5.584 -5.229 289 HB VAL 56 HB VAL 56 2.389 -3.576 -2.970 290 1HG1 VAL 56 1HG1 VAL 56 1.947 -2.671 -5.206 291 2HG1 VAL 56 2HG1 VAL 56 0.531 -2.567 -4.159 292 3HG1 VAL 56 3HG1 VAL 56 0.620 -3.818 -5.399 293 1HG2 VAL 56 1HG2 VAL 56 0.124 -4.343 -2.451 294 2HG2 VAL 56 2HG2 VAL 56 1.307 -5.631 -2.224 295 3HG2 VAL 56 3HG2 VAL 56 0.278 -5.620 -3.657 296 H LEU 57 H LEU 57 4.986 -4.399 -3.197 297 HA LEU 57 HA LEU 57 5.871 -2.531 -5.240 298 1HB LEU 57 2HB LEU 57 6.029 -2.086 -2.750 299 2HB LEU 57 1HB LEU 57 7.306 -3.288 -2.698 300 HG LEU 57 HG LEU 57 8.588 -1.900 -4.342 301 1HD1 LEU 57 1HD1 LEU 57 7.927 0.411 -4.680 302 2HD1 LEU 57 2HD1 LEU 57 6.457 0.145 -3.741 303 3HD1 LEU 57 3HD1 LEU 57 6.681 -0.683 -5.282 304 1HD2 LEU 57 1HD2 LEU 57 9.272 -0.221 -2.691 305 2HD2 LEU 57 2HD2 LEU 57 9.080 -1.817 -1.963 306 3HD2 LEU 57 3HD2 LEU 57 7.836 -0.586 -1.734 307 H ASP 58 H ASP 58 6.527 -3.652 -6.958 308 HA ASP 58 HA ASP 58 8.155 -6.009 -6.773 309 1HB ASP 58 2HB ASP 58 6.549 -5.837 -8.566 310 2HB ASP 58 1HB ASP 58 7.257 -4.320 -9.115 311 H ASN 59 H ASN 59 8.682 -2.790 -8.196 312 HA ASN 59 HA ASN 59 10.480 -1.451 -8.375 313 1HB ASN 59 2HB ASN 59 11.081 -2.996 -5.937 314 2HB ASN 59 1HB ASN 59 12.455 -2.188 -6.688 315 1HD2 ASN 59 1HD2 ASN 59 12.649 -0.741 -4.976 316 2HD2 ASN 59 2HD2 ASN 59 11.544 0.572 -4.753 317 H LYS 60 H LYS 60 10.482 -4.427 -9.534 318 HA LYS 60 HA LYS 60 13.248 -4.270 -10.520 319 1HB LYS 60 2HB LYS 60 11.222 -6.495 -10.850 320 2HB LYS 60 1HB LYS 60 12.912 -6.550 -11.339 321 1HG LYS 60 2HG LYS 60 13.603 -6.363 -9.008 322 2HG LYS 60 1HG LYS 60 11.914 -6.283 -8.508 323 1HD LYS 60 2HD LYS 60 11.551 -8.529 -9.455 324 2HD LYS 60 1HD LYS 60 13.258 -8.607 -9.892 325 1HE LYS 60 2HE LYS 60 12.870 -9.813 -7.824 326 2HE LYS 60 1HE LYS 60 13.852 -8.381 -7.512 327 1HZ LYS 60 1HZ LYS 60 10.913 -8.549 -7.081 328 2HZ LYS 60 2HZ LYS 60 11.920 -7.245 -6.684 329 3HZ LYS 60 3HZ LYS 60 12.081 -8.716 -5.860 330 H ALA 61 H ALA 61 9.919 -4.769 -11.643 331 HA ALA 61 HA ALA 61 10.591 -3.625 -14.252 332 1HB ALA 61 1HB ALA 61 9.125 -5.592 -14.178 333 2HB ALA 61 2HB ALA 61 8.296 -4.195 -14.864 334 3HB ALA 61 3HB ALA 61 7.966 -4.688 -13.205 335 H ILE 62 H ILE 62 9.588 -2.670 -11.216 336 HA ILE 62 HA ILE 62 8.322 -0.193 -12.172 337 HB ILE 62 HB ILE 62 8.471 -1.311 -9.357 338 1HG1 ILE 62 2HG1 ILE 62 6.138 -1.214 -11.284 339 2HG1 ILE 62 1HG1 ILE 62 7.050 -2.659 -10.860 340 1HG2 ILE 62 1HG2 ILE 62 6.978 1.066 -10.462 341 2HG2 ILE 62 2HG2 ILE 62 8.341 1.105 -9.343 342 3HG2 ILE 62 3HG2 ILE 62 6.798 0.424 -8.828 343 1HD1 ILE 62 1HD1 ILE 62 5.383 -0.998 -8.984 344 2HD1 ILE 62 2HD1 ILE 62 6.317 -2.427 -8.537 345 3HD1 ILE 62 3HD1 ILE 62 4.959 -2.575 -9.651 346 H THR 63 H THR 63 9.593 1.590 -12.256 347 HA THR 63 HA THR 63 12.054 1.520 -10.651 348 HB THR 63 HB THR 63 12.957 3.105 -12.441 349 HG1 THR 63 HG1 THR 63 11.702 2.239 -14.521 350 1HG2 THR 63 1HG2 THR 63 13.676 0.795 -12.135 351 2HG2 THR 63 2HG2 THR 63 13.625 1.228 -13.843 352 3HG2 THR 63 3HG2 THR 63 12.339 0.241 -13.145 353 H GLY 64 H GLY 64 13.041 3.892 -10.742 354 1HA GLY 64 2HA GLY 64 11.791 5.264 -8.723 355 2HA GLY 64 1HA GLY 64 12.985 5.968 -9.796 356 H THR 65 H THR 65 11.185 5.639 -12.170 357 HA THR 65 HA THR 65 9.943 8.181 -11.897 358 HB THR 65 HB THR 65 10.815 7.571 -14.059 359 HG1 THR 65 HG1 THR 65 8.211 8.303 -13.667 360 1HG2 THR 65 1HG2 THR 65 10.468 5.151 -13.959 361 2HG2 THR 65 2HG2 THR 65 9.803 5.830 -15.444 362 3HG2 THR 65 3HG2 THR 65 8.727 5.387 -14.118 363 H MET 66 H MET 66 8.722 4.865 -11.722 364 HA MET 66 HA MET 66 5.966 5.680 -11.727 365 1HB MET 66 2HB MET 66 7.216 3.092 -10.782 366 2HB MET 66 1HB MET 66 5.492 3.374 -10.940 367 1HG MET 66 2HG MET 66 6.003 2.206 -12.852 368 2HG MET 66 1HG MET 66 6.019 3.879 -13.404 369 1HE MET 66 1HE MET 66 8.848 2.172 -15.545 370 2HE MET 66 2HE MET 66 7.347 3.099 -15.593 371 3HE MET 66 3HE MET 66 7.337 1.437 -15.005 372 H THR 67 H THR 67 8.134 4.410 -9.228 373 HA THR 67 HA THR 67 6.358 4.820 -7.092 374 HB THR 67 HB THR 67 7.999 3.246 -6.649 375 HG1 THR 67 HG1 THR 67 8.214 4.067 -4.725 376 1HG2 THR 67 1HG2 THR 67 9.566 3.834 -8.427 377 2HG2 THR 67 2HG2 THR 67 10.413 3.584 -6.902 378 3HG2 THR 67 3HG2 THR 67 10.127 5.221 -7.492 379 H GLY 68 H GLY 68 8.855 6.879 -8.491 380 1HA GLY 68 2HA GLY 68 8.924 8.842 -6.465 381 2HA GLY 68 1HA GLY 68 9.409 9.073 -8.138 382 H ILE 69 H ILE 69 7.054 8.724 -9.506 383 HA ILE 69 HA ILE 69 5.750 11.188 -9.134 384 HB ILE 69 HB ILE 69 4.936 8.746 -10.709 385 1HG1 ILE 69 2HG1 ILE 69 5.966 11.460 -11.560 386 2HG1 ILE 69 1HG1 ILE 69 6.935 9.993 -11.471 387 1HG2 ILE 69 1HG2 ILE 69 3.245 10.155 -11.805 388 2HG2 ILE 69 2HG2 ILE 69 3.598 11.451 -10.661 389 3HG2 ILE 69 3HG2 ILE 69 2.905 9.933 -10.089 390 1HD1 ILE 69 1HD1 ILE 69 4.589 10.467 -13.294 391 2HD1 ILE 69 2HD1 ILE 69 5.519 8.973 -13.192 392 3HD1 ILE 69 3HD1 ILE 69 6.292 10.458 -13.753 393 H ALA 70 H ALA 70 4.827 7.884 -8.252 394 HA ALA 70 HA ALA 70 2.314 8.404 -7.158 395 1HB ALA 70 1HB ALA 70 2.612 6.330 -5.893 396 2HB ALA 70 2HB ALA 70 4.335 6.343 -6.270 397 3HB ALA 70 3HB ALA 70 3.152 6.142 -7.562 398 H PHE 71 H PHE 71 5.497 8.327 -5.569 399 HA PHE 71 HA PHE 71 4.639 8.989 -2.992 400 1HB PHE 71 2HB PHE 71 6.895 8.122 -3.550 401 2HB PHE 71 1HB PHE 71 7.290 9.674 -4.283 402 HD1 PHE 71 HD1 PHE 71 6.293 8.083 -1.085 403 HD2 PHE 71 HD2 PHE 71 8.135 11.418 -2.981 404 HE1 PHE 71 HE1 PHE 71 7.039 8.911 1.108 405 HE2 PHE 71 HE2 PHE 71 8.889 12.249 -0.791 406 HZ PHE 71 HZ PHE 71 8.340 10.996 1.258 407 H SER 72 H SER 72 5.642 11.076 -5.682 408 HA SER 72 HA SER 72 5.640 13.514 -4.321 409 1HB SER 72 2HB SER 72 4.965 13.004 -7.228 410 2HB SER 72 1HB SER 72 5.489 14.535 -6.535 411 HG SER 72 HG SER 72 6.963 12.142 -6.860 412 H LYS 73 H LYS 73 3.006 11.640 -5.645 413 HA LYS 73 HA LYS 73 1.084 13.782 -5.389 414 1HB LYS 73 2HB LYS 73 1.106 11.044 -6.465 415 2HB LYS 73 1HB LYS 73 -0.413 11.528 -5.732 416 1HG LYS 73 2HG LYS 73 -0.463 11.966 -8.094 417 2HG LYS 73 1HG LYS 73 -0.484 13.488 -7.206 418 1HD LYS 73 2HD LYS 73 1.914 13.770 -7.638 419 2HD LYS 73 1HD LYS 73 1.930 12.242 -8.526 420 1HE LYS 73 2HE LYS 73 0.301 13.165 -10.114 421 2HE LYS 73 1HE LYS 73 0.318 14.691 -9.234 422 1HZ LYS 73 1HZ LYS 73 2.651 13.475 -10.608 423 2HZ LYS 73 2HZ LYS 73 2.650 14.954 -9.785 424 3HZ LYS 73 3HZ LYS 73 1.724 14.765 -11.191 425 H VAL 74 H VAL 74 1.950 10.857 -3.600 426 HA VAL 74 HA VAL 74 -0.291 10.976 -1.844 427 HB VAL 74 HB VAL 74 0.729 9.179 -0.642 428 1HG1 VAL 74 1HG1 VAL 74 1.243 8.910 -3.588 429 2HG1 VAL 74 2HG1 VAL 74 -0.286 8.626 -2.758 430 3HG1 VAL 74 3HG1 VAL 74 1.097 7.577 -2.443 431 1HG2 VAL 74 1HG2 VAL 74 3.007 9.994 -0.457 432 2HG2 VAL 74 2HG2 VAL 74 3.253 9.754 -2.187 433 3HG2 VAL 74 3HG2 VAL 74 2.993 8.363 -1.135 434 H THR 75 H THR 75 2.832 12.497 -1.844 435 HA THR 75 HA THR 75 2.215 13.538 0.836 436 HB THR 75 HB THR 75 4.706 13.595 1.264 437 HG1 THR 75 HG1 THR 75 4.714 11.760 -0.928 438 1HG2 THR 75 1HG2 THR 75 3.220 11.964 2.320 439 2HG2 THR 75 2HG2 THR 75 4.797 11.260 1.967 440 3HG2 THR 75 3HG2 THR 75 3.412 10.886 0.939 441 H GLY 76 H GLY 76 5.017 14.231 -1.173 442 1HA GLY 76 2HA GLY 76 5.321 16.230 -2.474 443 2HA GLY 76 1HA GLY 76 4.031 16.981 -1.539 444 HA PRO 77 HA PRO 77 7.344 18.592 0.995 445 1HB PRO 77 2HB PRO 77 5.384 19.615 2.842 446 2HB PRO 77 1HB PRO 77 6.314 20.503 1.637 447 1HG PRO 77 2HG PRO 77 3.599 20.132 1.519 448 2HG PRO 77 1HG PRO 77 4.626 20.438 0.106 449 1HD PRO 77 2HD PRO 77 3.527 17.847 1.131 450 2HD PRO 77 1HD PRO 77 3.688 18.422 -0.543 451 H LYS 78 H LYS 78 7.635 18.770 3.557 452 HA LYS 78 HA LYS 78 7.707 16.105 4.547 453 1HB LYS 78 2HB LYS 78 9.370 17.838 5.157 454 2HB LYS 78 1HB LYS 78 8.126 18.697 6.050 455 1HG LYS 78 2HG LYS 78 9.489 17.483 7.593 456 2HG LYS 78 1HG LYS 78 7.899 16.726 7.539 457 1HD LYS 78 2HD LYS 78 9.886 15.636 5.656 458 2HD LYS 78 1HD LYS 78 10.248 15.382 7.362 459 1HE LYS 78 2HE LYS 78 7.604 14.684 6.099 460 2HE LYS 78 1HE LYS 78 8.942 13.546 6.250 461 1HZ LYS 78 1HZ LYS 78 7.394 13.269 8.068 462 2HZ LYS 78 2HZ LYS 78 7.539 14.903 8.493 463 3HZ LYS 78 3HZ LYS 78 8.869 13.865 8.661 464 H LYS 79 H LYS 79 5.417 18.685 4.753 465 HA LYS 79 HA LYS 79 3.876 17.912 6.938 466 1HB LYS 79 2HB LYS 79 3.396 19.956 5.698 467 2HB LYS 79 1HB LYS 79 2.968 19.021 4.272 468 1HG LYS 79 2HG LYS 79 1.120 17.991 5.593 469 2HG LYS 79 1HG LYS 79 1.487 19.133 6.886 470 1HD LYS 79 2HD LYS 79 0.975 20.997 5.453 471 2HD LYS 79 1HD LYS 79 0.783 19.926 4.064 472 1HE LYS 79 2HE LYS 79 -0.937 19.938 6.542 473 2HE LYS 79 1HE LYS 79 -1.382 20.605 4.972 474 1HZ LYS 79 1HZ LYS 79 -2.355 18.440 5.219 475 2HZ LYS 79 2HZ LYS 79 -0.856 17.745 5.598 476 3HZ LYS 79 3HZ LYS 79 -1.139 18.351 4.040 477 H LYS 80 H LYS 80 4.048 16.633 3.668 478 HA LYS 80 HA LYS 80 3.261 14.757 2.675 479 1HB LYS 80 2HB LYS 80 3.375 13.834 5.546 480 2HB LYS 80 1HB LYS 80 3.092 12.753 4.182 481 1HG LYS 80 2HG LYS 80 5.231 13.217 3.262 482 2HG LYS 80 1HG LYS 80 5.501 14.542 4.393 483 1HD LYS 80 2HD LYS 80 6.784 12.621 5.068 484 2HD LYS 80 1HD LYS 80 5.505 12.919 6.244 485 1HE LYS 80 2HE LYS 80 4.156 11.162 5.230 486 2HE LYS 80 1HE LYS 80 5.417 10.879 4.029 487 1HZ LYS 80 1HZ LYS 80 5.872 10.633 6.944 488 2HZ LYS 80 2HZ LYS 80 6.887 10.112 5.688 489 3HZ LYS 80 3HZ LYS 80 5.411 9.327 5.965 490 H ALA 81 H ALA 81 1.344 12.821 3.937 491 HA ALA 81 HA ALA 81 -0.983 14.603 3.749 492 1HB ALA 81 1HB ALA 81 -0.841 11.771 2.754 493 2HB ALA 81 2HB ALA 81 -0.762 13.223 1.753 494 3HB ALA 81 3HB ALA 81 -2.232 12.847 2.652 495 H THR 82 H THR 82 -1.157 11.191 4.421 496 HA THR 82 HA THR 82 -1.349 10.905 7.087 497 HB THR 82 HB THR 82 -2.866 12.842 7.219 498 HG1 THR 82 HG1 THR 82 -3.146 10.839 8.559 499 1HG2 THR 82 1HG2 THR 82 -4.741 11.234 5.480 500 2HG2 THR 82 2HG2 THR 82 -3.901 12.712 5.013 501 3HG2 THR 82 3HG2 THR 82 -5.132 12.761 6.275 502 H PHE 83 H PHE 83 -4.243 9.772 6.928 503 HA PHE 83 HA PHE 83 -3.717 7.208 5.960 504 1HB PHE 83 2HB PHE 83 -5.607 7.575 7.410 505 2HB PHE 83 1HB PHE 83 -6.344 8.681 6.254 506 HD1 PHE 83 HD1 PHE 83 -7.836 7.899 4.662 507 HD2 PHE 83 HD2 PHE 83 -5.307 5.144 6.689 508 HE1 PHE 83 HE1 PHE 83 -9.052 6.029 3.625 509 HE2 PHE 83 HE2 PHE 83 -6.517 3.269 5.658 510 HZ PHE 83 HZ PHE 83 -8.390 3.711 4.124 511 H ASP 84 H ASP 84 -4.944 10.066 4.311 512 HA ASP 84 HA ASP 84 -5.700 9.002 1.856 513 1HB ASP 84 2HB ASP 84 -6.033 11.359 2.423 514 2HB ASP 84 1HB ASP 84 -4.293 11.626 2.433 515 H GLU 85 H GLU 85 -2.543 10.163 2.892 516 HA GLU 85 HA GLU 85 -0.894 9.696 0.783 517 1HB GLU 85 2HB GLU 85 -0.231 10.641 2.938 518 2HB GLU 85 1HB GLU 85 -0.436 9.082 3.710 519 1HG GLU 85 2HG GLU 85 1.435 8.196 2.426 520 2HG GLU 85 1HG GLU 85 1.631 9.765 1.636 521 H THR 86 H THR 86 -1.780 7.298 3.261 522 HA THR 86 HA THR 86 -0.340 5.146 2.200 523 HB THR 86 HB THR 86 -2.871 4.981 3.839 524 HG1 THR 86 HG1 THR 86 -0.389 5.983 4.429 525 1HG2 THR 86 1HG2 THR 86 -0.485 3.137 3.638 526 2HG2 THR 86 2HG2 THR 86 -2.074 2.839 2.937 527 3HG2 THR 86 3HG2 THR 86 -1.887 2.908 4.689 528 H LYS 87 H LYS 87 -3.818 5.934 1.862 529 HA LYS 87 HA LYS 87 -4.357 3.647 0.264 530 1HB LYS 87 2HB LYS 87 -6.554 4.642 -0.147 531 2HB LYS 87 1HB LYS 87 -6.132 4.717 1.556 532 1HG LYS 87 2HG LYS 87 -5.493 7.080 1.262 533 2HG LYS 87 1HG LYS 87 -6.002 6.984 -0.422 534 1HD LYS 87 2HD LYS 87 -7.872 6.307 1.830 535 2HD LYS 87 1HD LYS 87 -7.643 7.968 1.293 536 1HE LYS 87 2HE LYS 87 -9.562 7.128 0.171 537 2HE LYS 87 1HE LYS 87 -8.265 7.217 -1.014 538 1HZ LYS 87 1HZ LYS 87 -9.661 5.150 -1.066 539 2HZ LYS 87 2HZ LYS 87 -8.954 4.711 0.408 540 3HZ LYS 87 3HZ LYS 87 -7.989 4.893 -0.973 541 H LYS 88 H LYS 88 -3.343 6.905 -0.472 542 HA LYS 88 HA LYS 88 -3.897 6.871 -3.235 543 1HB LYS 88 2HB LYS 88 -1.879 8.364 -1.573 544 2HB LYS 88 1HB LYS 88 -2.004 8.584 -3.308 545 1HG LYS 88 2HG LYS 88 -4.337 8.981 -1.464 546 2HG LYS 88 1HG LYS 88 -3.192 10.267 -1.845 547 1HD LYS 88 2HD LYS 88 -3.706 9.949 -4.249 548 2HD LYS 88 1HD LYS 88 -4.927 8.758 -3.794 549 1HE LYS 88 2HE LYS 88 -5.864 11.014 -4.230 550 2HE LYS 88 1HE LYS 88 -6.186 10.423 -2.600 551 1HZ LYS 88 1HZ LYS 88 -5.466 12.789 -2.733 552 2HZ LYS 88 2HZ LYS 88 -3.949 12.259 -3.259 553 3HZ LYS 88 3HZ LYS 88 -4.507 11.826 -1.715 554 H VAL 89 H VAL 89 -0.992 5.956 -1.377 555 HA VAL 89 HA VAL 89 0.680 5.416 -3.549 556 HB VAL 89 HB VAL 89 0.737 3.896 -0.937 557 1HG1 VAL 89 1HG1 VAL 89 2.890 4.506 -2.957 558 2HG1 VAL 89 2HG1 VAL 89 2.110 2.945 -2.715 559 3HG1 VAL 89 3HG1 VAL 89 3.115 3.635 -1.441 560 1HG2 VAL 89 1HG2 VAL 89 2.336 5.575 -0.159 561 2HG2 VAL 89 2HG2 VAL 89 0.753 6.287 -0.478 562 3HG2 VAL 89 3HG2 VAL 89 2.070 6.509 -1.630 563 H LEU 90 H LEU 90 -1.415 3.187 -1.719 564 HA LEU 90 HA LEU 90 -0.802 0.874 -3.161 565 1HB LEU 90 2HB LEU 90 -3.374 1.623 -1.779 566 2HB LEU 90 1HB LEU 90 -3.018 0.024 -2.395 567 HG LEU 90 HG LEU 90 -1.726 1.443 -0.077 568 1HD1 LEU 90 1HD1 LEU 90 -2.389 -0.599 1.100 569 2HD1 LEU 90 2HD1 LEU 90 -3.099 -1.220 -0.390 570 3HD1 LEU 90 3HD1 LEU 90 -3.778 0.215 0.378 571 1HD2 LEU 90 1HD2 LEU 90 -0.808 -1.079 -1.450 572 2HD2 LEU 90 2HD2 LEU 90 -0.195 -0.463 0.084 573 3HD2 LEU 90 3HD2 LEU 90 0.067 0.452 -1.402 574 H ALA 91 H ALA 91 -3.110 3.436 -3.834 575 HA ALA 91 HA ALA 91 -4.420 2.099 -5.973 576 1HB ALA 91 1HB ALA 91 -4.225 5.059 -5.433 577 2HB ALA 91 2HB ALA 91 -5.440 3.973 -4.758 578 3HB ALA 91 3HB ALA 91 -5.384 4.264 -6.497 579 H PHE 92 H PHE 92 -1.651 4.299 -5.799 580 HA PHE 92 HA PHE 92 -1.495 4.632 -8.638 581 1HB PHE 92 2HB PHE 92 0.402 5.360 -6.412 582 2HB PHE 92 1HB PHE 92 0.745 5.689 -8.108 583 HD1 PHE 92 HD1 PHE 92 -0.018 7.358 -5.373 584 HD2 PHE 92 HD2 PHE 92 -1.774 6.604 -9.173 585 HE1 PHE 92 HE1 PHE 92 -1.283 9.461 -5.201 586 HE2 PHE 92 HE2 PHE 92 -3.038 8.706 -9.015 587 HZ PHE 92 HZ PHE 92 -2.794 10.138 -7.024 588 H VAL 93 H VAL 93 0.270 2.615 -6.295 589 HA VAL 93 HA VAL 93 2.143 1.623 -8.149 590 HB VAL 93 HB VAL 93 2.465 -0.249 -6.553 591 1HG1 VAL 93 1HG1 VAL 93 3.711 1.825 -6.316 592 2HG1 VAL 93 2HG1 VAL 93 3.355 1.118 -4.741 593 3HG1 VAL 93 3HG1 VAL 93 2.419 2.496 -5.320 594 1HG2 VAL 93 1HG2 VAL 93 1.329 -0.206 -4.386 595 2HG2 VAL 93 2HG2 VAL 93 0.195 -0.486 -5.708 596 3HG2 VAL 93 3HG2 VAL 93 0.298 1.107 -4.959 597 H ALA 94 H ALA 94 -0.993 0.372 -7.068 598 HA ALA 94 HA ALA 94 -1.021 -1.905 -8.738 599 1HB ALA 94 1HB ALA 94 -3.358 -0.343 -7.639 600 2HB ALA 94 2HB ALA 94 -2.511 -1.649 -6.810 601 3HB ALA 94 3HB ALA 94 -3.415 -1.983 -8.287 602 H GLU 95 H GLU 95 -2.208 1.404 -9.172 603 HA GLU 95 HA GLU 95 -3.453 1.277 -11.609 604 1HB GLU 95 2HB GLU 95 -2.808 3.293 -9.982 605 2HB GLU 95 1HB GLU 95 -1.536 3.522 -11.168 606 1HG GLU 95 2HG GLU 95 -4.436 3.359 -11.925 607 2HG GLU 95 1HG GLU 95 -3.663 4.867 -11.462 608 H ASP 96 H ASP 96 0.012 2.015 -11.151 609 HA ASP 96 HA ASP 96 0.692 1.999 -13.859 610 1HB ASP 96 2HB ASP 96 2.165 2.942 -12.151 611 2HB ASP 96 1HB ASP 96 2.443 1.337 -11.480 612 H ARG 97 H ARG 97 0.659 -0.643 -11.513 613 HA ARG 97 HA ARG 97 2.042 -2.495 -13.141 614 1HB ARG 97 2HB ARG 97 1.611 -2.575 -10.600 615 2HB ARG 97 1HB ARG 97 0.061 -3.288 -11.022 616 1HG ARG 97 2HG ARG 97 1.593 -5.042 -10.497 617 2HG ARG 97 1HG ARG 97 1.275 -5.082 -12.232 618 1HD ARG 97 2HD ARG 97 3.649 -3.631 -11.102 619 2HD ARG 97 1HD ARG 97 3.703 -5.361 -11.427 620 HE ARG 97 HE ARG 97 3.388 -4.887 -13.757 621 1HH1 ARG 97 1HH1 ARG 97 4.015 -2.067 -11.777 622 2HH1 ARG 97 2HH1 ARG 97 4.527 -1.074 -13.105 623 1HH2 ARG 97 1HH2 ARG 97 4.111 -3.644 -15.496 624 2HH2 ARG 97 2HH2 ARG 97 4.610 -1.995 -15.242 625 H ALA 98 H ALA 98 -1.416 -2.071 -12.466 626 HA ALA 98 HA ALA 98 -2.260 -4.118 -14.249 627 1HB ALA 98 1HB ALA 98 -4.496 -3.224 -13.905 628 2HB ALA 98 2HB ALA 98 -3.816 -1.786 -13.143 629 3HB ALA 98 3HB ALA 98 -3.634 -3.361 -12.373 630 H ARG 99 H ARG 99 -1.737 -0.670 -14.531 631 HA ARG 99 HA ARG 99 -3.050 -0.172 -16.947 632 1HB ARG 99 2HB ARG 99 -1.995 1.457 -15.251 633 2HB ARG 99 1HB ARG 99 -0.493 1.183 -16.120 634 1HG ARG 99 2HG ARG 99 -1.471 2.050 -18.152 635 2HG ARG 99 1HG ARG 99 -3.030 2.238 -17.341 636 1HD ARG 99 2HD ARG 99 -2.097 4.378 -17.280 637 2HD ARG 99 1HD ARG 99 -1.778 3.720 -15.678 638 HE ARG 99 HE ARG 99 0.305 3.542 -17.732 639 1HH1 ARG 99 1HH1 ARG 99 -0.833 4.821 -14.672 640 2HH1 ARG 99 2HH1 ARG 99 0.685 5.576 -14.285 641 1HH2 ARG 99 1HH2 ARG 99 2.313 4.533 -17.219 642 2HH2 ARG 99 2HH2 ARG 99 2.479 5.388 -15.714 643 H GLN 100 H GLN 100 0.220 -1.327 -16.293 644 HA GLN 100 HA GLN 100 0.859 -1.401 -19.121 645 1HB GLN 100 2HB GLN 100 2.405 -2.218 -16.661 646 2HB GLN 100 1HB GLN 100 3.014 -2.426 -18.298 647 1HG GLN 100 2HG GLN 100 2.815 0.004 -18.650 648 2HG GLN 100 1HG GLN 100 2.295 0.181 -16.976 649 1HE2 GLN 100 1HE2 GLN 100 3.796 -0.019 -15.322 650 2HE2 GLN 100 2HE2 GLN 100 5.501 -0.048 -15.622 651 H SER 101 H SER 101 -0.480 -3.494 -16.757 652 HA SER 101 HA SER 101 0.261 -5.942 -18.088 653 1HB SER 101 2HB SER 101 -0.063 -5.819 -15.630 654 2HB SER 101 1HB SER 101 -1.767 -5.457 -15.888 655 HG SER 101 HG SER 101 -1.772 -7.588 -15.594 656 H LYS 102 H LYS 102 -3.031 -4.885 -17.205 657 HA LYS 102 HA LYS 102 -3.957 -5.809 -19.841 658 1HB LYS 102 2HB LYS 102 -5.414 -5.314 -17.239 659 2HB LYS 102 1HB LYS 102 -6.269 -5.495 -18.761 660 1HG LYS 102 2HG LYS 102 -6.343 -7.586 -17.666 661 2HG LYS 102 1HG LYS 102 -5.194 -7.747 -18.992 662 1HD LYS 102 2HD LYS 102 -3.342 -7.583 -17.494 663 2HD LYS 102 1HD LYS 102 -4.401 -7.160 -16.147 664 1HE LYS 102 2HE LYS 102 -4.448 -9.784 -17.633 665 2HE LYS 102 1HE LYS 102 -3.643 -9.516 -16.088 666 1HZ LYS 102 1HZ LYS 102 -6.557 -9.333 -16.639 667 2HZ LYS 102 2HZ LYS 102 -5.840 -8.862 -15.174 668 3HZ LYS 102 3HZ LYS 102 -5.765 -10.483 -15.675 669 H LYS 103 H LYS 103 -5.189 -3.421 -17.605 670 HA LYS 103 HA LYS 103 -4.510 -1.042 -18.737 671 1HB LYS 103 2HB LYS 103 -6.706 -2.307 -20.236 672 2HB LYS 103 1HB LYS 103 -7.076 -0.686 -19.667 673 1HG LYS 103 2HG LYS 103 -4.957 0.089 -20.740 674 2HG LYS 103 1HG LYS 103 -4.792 -1.521 -21.440 675 1HD LYS 103 2HD LYS 103 -5.801 -0.058 -23.065 676 2HD LYS 103 1HD LYS 103 -7.011 -1.221 -22.516 677 1HE LYS 103 2HE LYS 103 -7.921 0.457 -20.984 678 2HE LYS 103 1HE LYS 103 -6.710 1.615 -21.534 679 1HZ LYS 103 1HZ LYS 103 -8.781 0.370 -23.263 680 2HZ LYS 103 2HZ LYS 103 -7.658 1.553 -23.730 681 3HZ LYS 103 3HZ LYS 103 -8.868 1.930 -22.605 682 HA PRO 104 HA PRO 104 -8.255 -0.465 -15.751 683 1HB PRO 104 2HB PRO 104 -9.544 -2.677 -14.860 684 2HB PRO 104 1HB PRO 104 -10.050 -1.788 -16.302 685 1HG PRO 104 2HG PRO 104 -8.447 -4.302 -16.089 686 2HG PRO 104 1HG PRO 104 -9.752 -3.897 -17.218 687 1HD PRO 104 2HD PRO 104 -7.126 -3.772 -17.894 688 2HD PRO 104 1HD PRO 104 -8.354 -2.701 -18.600 689 H ILE 105 H ILE 105 -7.645 -0.089 -13.706 690 HA ILE 105 HA ILE 105 -5.460 -1.557 -12.619 691 HB ILE 105 HB ILE 105 -5.363 0.072 -10.899 692 1HG1 ILE 105 2HG1 ILE 105 -8.057 1.113 -11.799 693 2HG1 ILE 105 1HG1 ILE 105 -7.797 0.138 -10.356 694 1HG2 ILE 105 1HG2 ILE 105 -5.296 2.154 -12.195 695 2HG2 ILE 105 2HG2 ILE 105 -6.215 1.368 -13.480 696 3HG2 ILE 105 3HG2 ILE 105 -4.594 0.800 -13.077 697 1HD1 ILE 105 1HD1 ILE 105 -6.382 1.892 -9.430 698 2HD1 ILE 105 2HD1 ILE 105 -7.997 2.492 -9.810 699 3HD1 ILE 105 3HD1 ILE 105 -6.644 2.867 -10.876 700 H GLN 106 H GLN 106 -8.895 -1.268 -11.929 701 HA GLN 106 HA GLN 106 -9.086 -2.499 -9.460 702 1HB GLN 106 2HB GLN 106 -10.960 -1.433 -10.652 703 2HB GLN 106 1HB GLN 106 -10.981 -2.760 -11.804 704 1HG GLN 106 2HG GLN 106 -12.759 -2.979 -10.164 705 2HG GLN 106 1HG GLN 106 -11.608 -4.307 -10.040 706 1HE2 GLN 106 1HE2 GLN 106 -10.307 -4.470 -8.241 707 2HE2 GLN 106 2HE2 GLN 106 -10.602 -3.570 -6.795 708 H ASP 107 H ASP 107 -8.451 -3.926 -12.568 709 HA ASP 107 HA ASP 107 -8.989 -6.622 -12.048 710 1HB ASP 107 2HB ASP 107 -8.510 -5.822 -14.293 711 2HB ASP 107 1HB ASP 107 -6.885 -5.347 -13.813 712 H GLU 108 H GLU 108 -5.905 -4.865 -11.793 713 HA GLU 108 HA GLU 108 -4.472 -7.046 -10.701 714 1HB GLU 108 2HB GLU 108 -3.550 -4.949 -11.860 715 2HB GLU 108 1HB GLU 108 -3.742 -4.151 -10.305 716 1HG GLU 108 2HG GLU 108 -1.478 -4.879 -10.528 717 2HG GLU 108 1HG GLU 108 -2.270 -5.860 -9.296 718 H LEU 109 H LEU 109 -6.331 -4.423 -9.292 719 HA LEU 109 HA LEU 109 -5.576 -4.598 -6.629 720 1HB LEU 109 2HB LEU 109 -8.045 -3.783 -8.043 721 2HB LEU 109 1HB LEU 109 -8.232 -4.192 -6.352 722 HG LEU 109 HG LEU 109 -7.952 -1.807 -6.603 723 1HD1 LEU 109 1HD1 LEU 109 -6.028 -1.452 -5.125 724 2HD1 LEU 109 2HD1 LEU 109 -5.511 -3.113 -5.421 725 3HD1 LEU 109 3HD1 LEU 109 -7.040 -2.798 -4.600 726 1HD2 LEU 109 1HD2 LEU 109 -6.730 -1.792 -8.708 727 2HD2 LEU 109 2HD2 LEU 109 -5.308 -2.441 -7.894 728 3HD2 LEU 109 3HD2 LEU 109 -5.904 -0.834 -7.480 729 H ASP 110 H ASP 110 -8.077 -6.446 -8.338 730 HA ASP 110 HA ASP 110 -8.848 -7.973 -6.050 731 1HB ASP 110 2HB ASP 110 -10.361 -7.577 -7.960 732 2HB ASP 110 1HB ASP 110 -9.298 -8.506 -9.010 733 H ALA 111 H ALA 111 -6.418 -8.391 -8.539 734 HA ALA 111 HA ALA 111 -5.824 -11.109 -7.954 735 1HB ALA 111 1HB ALA 111 -4.020 -8.970 -9.083 736 2HB ALA 111 2HB ALA 111 -5.095 -10.008 -10.020 737 3HB ALA 111 3HB ALA 111 -3.736 -10.711 -9.142 738 H ILE 112 H ILE 112 -4.511 -8.022 -6.828 739 HA ILE 112 HA ILE 112 -2.620 -9.073 -5.015 740 HB ILE 112 HB ILE 112 -4.074 -6.423 -5.032 741 1HG1 ILE 112 2HG1 ILE 112 -1.249 -7.128 -5.852 742 2HG1 ILE 112 1HG1 ILE 112 -2.597 -6.928 -6.970 743 1HG2 ILE 112 1HG2 ILE 112 -2.330 -5.616 -3.500 744 2HG2 ILE 112 2HG2 ILE 112 -1.699 -7.257 -3.365 745 3HG2 ILE 112 3HG2 ILE 112 -3.318 -6.881 -2.772 746 1HD1 ILE 112 1HD1 ILE 112 -2.809 -4.596 -6.298 747 2HD1 ILE 112 2HD1 ILE 112 -1.185 -4.948 -6.889 748 3HD1 ILE 112 3HD1 ILE 112 -1.479 -4.799 -5.156 749 H THR 113 H THR 113 -5.947 -7.923 -4.569 750 HA THR 113 HA THR 113 -6.112 -8.229 -1.801 751 HB THR 113 HB THR 113 -8.623 -8.332 -2.254 752 HG1 THR 113 HG1 THR 113 -9.320 -8.451 -4.234 753 1HG2 THR 113 1HG2 THR 113 -7.436 -6.222 -1.826 754 2HG2 THR 113 2HG2 THR 113 -8.738 -6.008 -2.994 755 3HG2 THR 113 3HG2 THR 113 -7.065 -6.094 -3.546 756 H GLU 114 H GLU 114 -6.883 -10.515 -4.399 757 HA GLU 114 HA GLU 114 -7.964 -12.530 -2.743 758 1HB GLU 114 2HB GLU 114 -8.260 -12.472 -5.209 759 2HB GLU 114 1HB GLU 114 -6.559 -12.877 -5.401 760 1HG GLU 114 2HG GLU 114 -7.052 -14.955 -4.035 761 2HG GLU 114 1HG GLU 114 -8.757 -14.572 -4.265 762 H LYS 115 H LYS 115 -4.685 -11.933 -3.943 763 HA LYS 115 HA LYS 115 -3.563 -14.375 -3.160 764 1HB LYS 115 2HB LYS 115 -2.491 -12.631 -4.666 765 2HB LYS 115 1HB LYS 115 -2.051 -11.761 -3.200 766 1HG LYS 115 2HG LYS 115 -0.924 -13.917 -2.451 767 2HG LYS 115 1HG LYS 115 -1.119 -14.466 -4.115 768 1HD LYS 115 2HD LYS 115 1.062 -13.548 -3.945 769 2HD LYS 115 1HD LYS 115 0.084 -12.377 -4.829 770 1HE LYS 115 2HE LYS 115 -0.202 -11.056 -2.811 771 2HE LYS 115 1HE LYS 115 0.706 -12.245 -1.880 772 1HZ LYS 115 1HZ LYS 115 2.066 -10.337 -2.477 773 2HZ LYS 115 2HZ LYS 115 1.785 -10.624 -4.126 774 3HZ LYS 115 3HZ LYS 115 2.662 -11.746 -3.206 775 H LEU 116 H LEU 116 -3.730 -11.275 -1.451 776 HA LEU 116 HA LEU 116 -2.296 -11.983 0.852 777 1HB LEU 116 2HB LEU 116 -4.667 -10.146 0.635 778 2HB LEU 116 1HB LEU 116 -3.494 -10.154 1.936 779 HG LEU 116 HG LEU 116 -2.702 -9.565 -0.909 780 1HD1 LEU 116 1HD1 LEU 116 -3.485 -7.574 1.217 781 2HD1 LEU 116 2HD1 LEU 116 -4.460 -7.983 -0.193 782 3HD1 LEU 116 3HD1 LEU 116 -2.891 -7.207 -0.403 783 1HD2 LEU 116 1HD2 LEU 116 -1.456 -8.879 1.751 784 2HD2 LEU 116 2HD2 LEU 116 -0.799 -8.489 0.161 785 3HD2 LEU 116 3HD2 LEU 116 -0.925 -10.171 0.676 786 H ALA 117 H ALA 117 -5.770 -12.097 0.190 787 HA ALA 117 HA ALA 117 -6.666 -12.915 2.694 788 1HB ALA 117 1HB ALA 117 -8.714 -13.592 1.548 789 2HB ALA 117 2HB ALA 117 -7.879 -13.508 -0.004 790 3HB ALA 117 3HB ALA 117 -8.128 -12.041 0.943 791 H LYS 118 H LYS 118 -5.529 -14.802 -0.046 792 HA LYS 118 HA LYS 118 -6.153 -17.305 1.295 793 1HB LYS 118 2HB LYS 118 -5.461 -18.386 -0.769 794 2HB LYS 118 1HB LYS 118 -6.605 -17.095 -1.107 795 1HG LYS 118 2HG LYS 118 -4.754 -15.633 -1.762 796 2HG LYS 118 1HG LYS 118 -3.618 -16.946 -1.442 797 1HD LYS 118 2HD LYS 118 -5.867 -17.051 -3.446 798 2HD LYS 118 1HD LYS 118 -4.180 -16.717 -3.835 799 1HE LYS 118 2HE LYS 118 -3.543 -18.909 -2.955 800 2HE LYS 118 1HE LYS 118 -5.232 -19.243 -2.571 801 1HZ LYS 118 1HZ LYS 118 -5.793 -19.187 -4.869 802 2HZ LYS 118 2HZ LYS 118 -4.465 -20.229 -4.694 803 3HZ LYS 118 3HZ LYS 118 -4.244 -18.664 -5.303 804 H LEU 119 H LEU 119 -3.588 -15.146 1.287 805 HA LEU 119 HA LEU 119 -1.413 -17.002 0.963 806 1HB LEU 119 2HB LEU 119 -1.519 -14.479 0.463 807 2HB LEU 119 1HB LEU 119 -1.214 -14.265 2.174 808 HG LEU 119 HG LEU 119 0.912 -15.502 1.935 809 1HD1 LEU 119 1HD1 LEU 119 1.762 -15.998 -0.298 810 2HD1 LEU 119 2HD1 LEU 119 0.236 -15.463 -1.002 811 3HD1 LEU 119 3HD1 LEU 119 0.278 -16.893 0.029 812 1HD2 LEU 119 1HD2 LEU 119 2.092 -13.751 0.686 813 2HD2 LEU 119 2HD2 LEU 119 0.890 -13.078 1.787 814 3HD2 LEU 119 3HD2 LEU 119 0.549 -13.169 0.059 815 H GLU 120 H GLU 120 -3.378 -17.349 3.309 816 HA GLU 120 HA GLU 120 -3.381 -17.857 5.524 817 1HB GLU 120 2HB GLU 120 -0.625 -18.568 4.673 818 2HB GLU 120 1HB GLU 120 -0.908 -18.439 6.400 819 1HG GLU 120 2HG GLU 120 -1.146 -20.722 5.662 820 2HG GLU 120 1HG GLU 120 -2.689 -20.094 6.234 Start of MODEL 3 1 H ASN 18 H ASN 18 -1.638 -10.593 10.327 2 HA ASN 18 HA ASN 18 -0.964 -10.188 7.613 3 1HB ASN 18 2HB ASN 18 -0.838 -12.639 7.556 4 2HB ASN 18 1HB ASN 18 -2.449 -12.751 8.260 5 1HD2 ASN 18 1HD2 ASN 18 -4.242 -12.339 6.986 6 2HD2 ASN 18 2HD2 ASN 18 -4.149 -12.196 5.269 7 H TRP 19 H TRP 19 -2.179 -8.417 7.497 8 HA TRP 19 HA TRP 19 -4.664 -8.024 8.699 9 1HB TRP 19 2HB TRP 19 -4.861 -6.101 7.158 10 2HB TRP 19 1HB TRP 19 -3.296 -6.175 7.948 11 HD1 TRP 19 HD1 TRP 19 -2.473 -8.551 5.552 12 HE1 TRP 19 HE1 TRP 19 -1.610 -7.554 3.349 13 HE3 TRP 19 HE3 TRP 19 -4.183 -3.797 6.110 14 HZ2 TRP 19 HZ2 TRP 19 -1.653 -5.057 2.018 15 HZ3 TRP 19 HZ3 TRP 19 -3.737 -2.144 4.337 16 HH2 TRP 19 HH2 TRP 19 -2.491 -2.767 2.329 17 H ASP 20 H ASP 20 -6.666 -8.597 8.189 18 HA ASP 20 HA ASP 20 -6.981 -10.438 5.935 19 1HB ASP 20 2HB ASP 20 -7.572 -11.340 8.100 20 2HB ASP 20 1HB ASP 20 -8.644 -9.981 8.424 21 H ASP 21 H ASP 21 -9.153 -10.460 4.874 22 HA ASP 21 HA ASP 21 -9.699 -8.431 3.234 23 1HB ASP 21 2HB ASP 21 -10.844 -10.571 3.117 24 2HB ASP 21 1HB ASP 21 -11.739 -10.209 4.579 25 H ALA 22 H ALA 22 -11.613 -8.828 6.204 26 HA ALA 22 HA ALA 22 -12.789 -6.235 5.966 27 1HB ALA 22 1HB ALA 22 -13.963 -8.128 6.980 28 2HB ALA 22 2HB ALA 22 -13.855 -6.761 8.088 29 3HB ALA 22 3HB ALA 22 -12.788 -8.151 8.293 30 H ASP 23 H ASP 23 -10.237 -7.664 7.894 31 HA ASP 23 HA ASP 23 -9.774 -5.641 9.741 32 1HB ASP 23 2HB ASP 23 -8.787 -7.867 9.917 33 2HB ASP 23 1HB ASP 23 -7.809 -7.568 8.485 34 H VAL 24 H VAL 24 -8.530 -6.017 6.454 35 HA VAL 24 HA VAL 24 -6.649 -3.960 6.402 36 HB VAL 24 HB VAL 24 -8.462 -4.906 4.169 37 1HG1 VAL 24 1HG1 VAL 24 -6.784 -3.956 2.645 38 2HG1 VAL 24 2HG1 VAL 24 -5.929 -3.271 4.027 39 3HG1 VAL 24 3HG1 VAL 24 -7.556 -2.718 3.634 40 1HG2 VAL 24 1HG2 VAL 24 -7.086 -6.688 5.062 41 2HG2 VAL 24 2HG2 VAL 24 -5.644 -5.685 4.906 42 3HG2 VAL 24 3HG2 VAL 24 -6.507 -6.221 3.463 43 H LYS 25 H LYS 25 -10.052 -3.797 5.343 44 HA LYS 25 HA LYS 25 -9.867 -1.033 4.752 45 1HB LYS 25 2HB LYS 25 -12.171 -2.952 4.859 46 2HB LYS 25 1HB LYS 25 -12.425 -1.233 4.578 47 1HG LYS 25 2HG LYS 25 -10.860 -1.369 2.656 48 2HG LYS 25 1HG LYS 25 -10.778 -3.112 2.902 49 1HD LYS 25 2HD LYS 25 -13.108 -3.356 2.406 50 2HD LYS 25 1HD LYS 25 -13.337 -1.605 2.379 51 1HE LYS 25 2HE LYS 25 -11.923 -1.411 0.429 52 2HE LYS 25 1HE LYS 25 -11.551 -3.131 0.488 53 1HZ LYS 25 1HZ LYS 25 -14.222 -1.935 -0.048 54 2HZ LYS 25 2HZ LYS 25 -13.906 -3.596 0.070 55 3HZ LYS 25 3HZ LYS 25 -13.213 -2.690 -1.183 56 H LYS 26 H LYS 26 -10.646 -2.733 7.665 57 HA LYS 26 HA LYS 26 -12.093 -0.823 9.071 58 1HB LYS 26 2HB LYS 26 -9.976 -2.767 9.963 59 2HB LYS 26 1HB LYS 26 -10.783 -1.700 11.102 60 1HG LYS 26 2HG LYS 26 -12.915 -2.681 10.592 61 2HG LYS 26 1HG LYS 26 -12.201 -3.663 9.314 62 1HD LYS 26 2HD LYS 26 -12.527 -5.043 11.246 63 2HD LYS 26 1HD LYS 26 -10.800 -4.782 11.031 64 1HE LYS 26 2HE LYS 26 -12.484 -3.148 12.921 65 2HE LYS 26 1HE LYS 26 -11.683 -4.639 13.402 66 1HZ LYS 26 1HZ LYS 26 -10.162 -3.043 14.017 67 2HZ LYS 26 2HZ LYS 26 -10.491 -2.039 12.693 68 3HZ LYS 26 3HZ LYS 26 -9.584 -3.452 12.476 69 H ARG 27 H ARG 27 -8.580 -1.025 8.592 70 HA ARG 27 HA ARG 27 -8.020 1.299 10.157 71 1HB ARG 27 2HB ARG 27 -6.364 -0.204 8.130 72 2HB ARG 27 1HB ARG 27 -5.756 1.138 9.093 73 1HG ARG 27 2HG ARG 27 -6.148 -0.089 11.127 74 2HG ARG 27 1HG ARG 27 -6.881 -1.412 10.219 75 1HD ARG 27 2HD ARG 27 -4.748 -1.790 9.070 76 2HD ARG 27 1HD ARG 27 -4.022 -0.483 10.007 77 HE ARG 27 HE ARG 27 -4.112 -1.813 11.939 78 1HH1 ARG 27 1HH1 ARG 27 -5.324 -3.490 9.102 79 2HH1 ARG 27 2HH1 ARG 27 -5.330 -5.056 9.862 80 1HH2 ARG 27 1HH2 ARG 27 -4.122 -3.847 12.947 81 2HH2 ARG 27 2HH2 ARG 27 -4.661 -5.252 12.065 82 H TRP 28 H TRP 28 -8.354 0.653 6.704 83 HA TRP 28 HA TRP 28 -7.751 3.202 5.730 84 1HB TRP 28 2HB TRP 28 -9.159 0.809 4.738 85 2HB TRP 28 1HB TRP 28 -9.645 2.318 3.976 86 HD1 TRP 28 HD1 TRP 28 -6.179 0.707 4.840 87 HE1 TRP 28 HE1 TRP 28 -4.654 1.047 2.784 88 HE3 TRP 28 HE3 TRP 28 -9.450 3.179 1.779 89 HZ2 TRP 28 HZ2 TRP 28 -4.825 2.191 0.216 90 HZ3 TRP 28 HZ3 TRP 28 -8.689 3.856 -0.459 91 HH2 TRP 28 HH2 TRP 28 -6.425 3.371 -1.224 92 H ASP 29 H ASP 29 -10.768 1.824 6.917 93 HA ASP 29 HA ASP 29 -12.449 4.006 6.339 94 1HB ASP 29 2HB ASP 29 -13.296 1.762 6.896 95 2HB ASP 29 1HB ASP 29 -12.690 1.940 8.539 96 H ALA 30 H ALA 30 -10.605 3.163 9.255 97 HA ALA 30 HA ALA 30 -11.459 5.247 10.898 98 1HB ALA 30 1HB ALA 30 -8.740 3.946 10.833 99 2HB ALA 30 2HB ALA 30 -10.150 3.349 11.707 100 3HB ALA 30 3HB ALA 30 -9.410 4.881 12.169 101 H PHE 31 H PHE 31 -8.598 5.140 8.779 102 HA PHE 31 HA PHE 31 -7.814 7.803 9.231 103 1HB PHE 31 2HB PHE 31 -7.198 6.031 6.866 104 2HB PHE 31 1HB PHE 31 -6.343 7.503 7.297 105 HD1 PHE 31 HD1 PHE 31 -6.154 7.107 10.258 106 HD2 PHE 31 HD2 PHE 31 -5.522 4.422 7.018 107 HE1 PHE 31 HE1 PHE 31 -4.603 5.798 11.648 108 HE2 PHE 31 HE2 PHE 31 -3.971 3.109 8.405 109 HZ PHE 31 HZ PHE 31 -3.512 3.795 10.724 110 H THR 32 H THR 32 -10.373 6.558 7.330 111 HA THR 32 HA THR 32 -10.441 8.951 5.645 112 HB THR 32 HB THR 32 -12.256 6.530 5.600 113 HG1 THR 32 HG1 THR 32 -10.250 5.900 4.889 114 1HG2 THR 32 1HG2 THR 32 -13.336 8.537 4.700 115 2HG2 THR 32 2HG2 THR 32 -12.978 7.382 3.417 116 3HG2 THR 32 3HG2 THR 32 -11.959 8.805 3.631 117 H LYS 33 H LYS 33 -12.542 7.190 7.891 118 HA LYS 33 HA LYS 33 -14.663 9.047 7.901 119 1HB LYS 33 2HB LYS 33 -14.632 6.596 8.639 120 2HB LYS 33 1HB LYS 33 -13.945 7.171 10.149 121 1HG LYS 33 2HG LYS 33 -15.940 8.578 10.482 122 2HG LYS 33 1HG LYS 33 -16.632 7.892 9.008 123 1HD LYS 33 2HD LYS 33 -16.225 5.613 10.117 124 2HD LYS 33 1HD LYS 33 -16.025 6.527 11.613 125 1HE LYS 33 2HE LYS 33 -18.296 5.803 11.494 126 2HE LYS 33 1HE LYS 33 -18.264 7.542 11.204 127 1HZ LYS 33 1HZ LYS 33 -19.726 6.472 9.641 128 2HZ LYS 33 2HZ LYS 33 -18.493 5.423 9.137 129 3HZ LYS 33 3HZ LYS 33 -18.378 7.080 8.811 130 H PHE 34 H PHE 34 -12.106 8.418 10.275 131 HA PHE 34 HA PHE 34 -12.762 10.832 11.742 132 1HB PHE 34 2HB PHE 34 -10.592 8.779 12.228 133 2HB PHE 34 1HB PHE 34 -11.091 10.043 13.336 134 HD1 PHE 34 HD1 PHE 34 -13.319 9.936 14.411 135 HD2 PHE 34 HD2 PHE 34 -11.772 6.734 12.075 136 HE1 PHE 34 HE1 PHE 34 -14.964 8.412 15.418 137 HE2 PHE 34 HE2 PHE 34 -13.417 5.203 13.075 138 HZ PHE 34 HZ PHE 34 -15.016 6.042 14.751 139 H GLY 35 H GLY 35 -10.393 9.600 9.533 140 1HA GLY 35 2HA GLY 35 -8.921 11.106 8.317 141 2HA GLY 35 1HA GLY 35 -8.813 12.084 9.784 142 H ALA 36 H ALA 36 -8.766 9.784 11.471 143 HA ALA 36 HA ALA 36 -6.932 7.805 11.014 144 1HB ALA 36 1HB ALA 36 -5.223 9.536 10.759 145 2HB ALA 36 2HB ALA 36 -4.937 8.570 12.206 146 3HB ALA 36 3HB ALA 36 -5.635 10.185 12.345 147 H ALA 37 H ALA 37 -7.243 6.394 12.642 148 HA ALA 37 HA ALA 37 -9.254 6.781 14.488 149 1HB ALA 37 1HB ALA 37 -8.445 4.586 13.771 150 2HB ALA 37 2HB ALA 37 -8.524 4.711 15.530 151 3HB ALA 37 3HB ALA 37 -6.969 4.830 14.704 152 H THR 38 H THR 38 -5.773 6.642 15.238 153 HA THR 38 HA THR 38 -6.035 8.737 17.191 154 HB THR 38 HB THR 38 -6.842 6.732 18.432 155 HG1 THR 38 HG1 THR 38 -4.306 7.507 19.469 156 1HG2 THR 38 1HG2 THR 38 -4.037 5.710 17.982 157 2HG2 THR 38 2HG2 THR 38 -5.518 5.021 17.318 158 3HG2 THR 38 3HG2 THR 38 -5.233 4.985 19.059 159 H ALA 39 H ALA 39 -4.512 7.970 14.737 160 HA ALA 39 HA ALA 39 -1.786 8.037 15.837 161 1HB ALA 39 1HB ALA 39 -2.716 6.389 13.490 162 2HB ALA 39 2HB ALA 39 -2.279 5.775 15.084 163 3HB ALA 39 3HB ALA 39 -1.054 6.527 14.063 164 H THR 40 H THR 40 -1.288 10.148 15.386 165 HA THR 40 HA THR 40 -1.561 11.055 12.614 166 HB THR 40 HB THR 40 -2.147 12.639 14.451 167 HG1 THR 40 HG1 THR 40 -0.068 13.206 12.616 168 1HG2 THR 40 1HG2 THR 40 0.810 12.545 15.058 169 2HG2 THR 40 2HG2 THR 40 -0.476 11.924 16.091 170 3HG2 THR 40 3HG2 THR 40 -0.360 13.655 15.778 171 H GLU 41 H GLU 41 0.479 9.220 14.343 172 HA GLU 41 HA GLU 41 2.933 10.233 13.117 173 1HB GLU 41 2HB GLU 41 2.958 9.737 15.550 174 2HB GLU 41 1HB GLU 41 2.582 8.057 15.192 175 1HG GLU 41 2HG GLU 41 4.915 8.217 15.608 176 2HG GLU 41 1HG GLU 41 4.693 7.930 13.883 177 H MET 42 H MET 42 2.774 9.554 11.027 178 HA MET 42 HA MET 42 2.717 6.642 10.614 179 1HB MET 42 2HB MET 42 1.800 8.811 8.710 180 2HB MET 42 1HB MET 42 1.832 7.090 8.351 181 1HG MET 42 2HG MET 42 0.179 6.670 10.070 182 2HG MET 42 1HG MET 42 0.187 8.373 10.523 183 1HE MET 42 1HE MET 42 -0.742 5.748 7.769 184 2HE MET 42 2HE MET 42 0.338 6.832 6.891 185 3HE MET 42 3HE MET 42 -1.378 6.776 6.485 186 H THR 43 H THR 43 4.870 6.227 10.627 187 HA THR 43 HA THR 43 6.784 8.002 9.474 188 HB THR 43 HB THR 43 8.392 6.095 9.911 189 HG1 THR 43 HG1 THR 43 6.307 4.924 11.420 190 1HG2 THR 43 1HG2 THR 43 8.276 6.367 12.362 191 2HG2 THR 43 2HG2 THR 43 6.678 7.093 12.187 192 3HG2 THR 43 3HG2 THR 43 8.093 7.898 11.508 193 H GLY 44 H GLY 44 7.481 8.124 7.467 194 1HA GLY 44 2HA GLY 44 6.210 6.580 5.441 195 2HA GLY 44 1HA GLY 44 7.458 7.792 5.197 196 H LYS 45 H LYS 45 9.250 6.270 7.120 197 HA LYS 45 HA LYS 45 10.525 4.626 5.181 198 1HB LYS 45 2HB LYS 45 11.689 5.771 7.097 199 2HB LYS 45 1HB LYS 45 10.974 4.574 8.170 200 1HG LYS 45 2HG LYS 45 12.082 2.823 6.712 201 2HG LYS 45 1HG LYS 45 12.989 4.152 5.990 202 1HD LYS 45 2HD LYS 45 14.335 3.208 7.721 203 2HD LYS 45 1HD LYS 45 13.749 4.774 8.288 204 1HE LYS 45 2HE LYS 45 12.015 3.684 9.587 205 2HE LYS 45 1HE LYS 45 12.513 2.108 8.974 206 1HZ LYS 45 1HZ LYS 45 14.129 3.920 10.681 207 2HZ LYS 45 2HZ LYS 45 14.677 2.453 10.035 208 3HZ LYS 45 3HZ LYS 45 13.412 2.460 11.162 209 H ASN 46 H ASN 46 8.402 3.990 7.925 210 HA ASN 46 HA ASN 46 8.544 1.151 7.760 211 1HB ASN 46 2HB ASN 46 7.653 2.598 9.711 212 2HB ASN 46 1HB ASN 46 6.158 2.688 8.786 213 1HD2 ASN 46 1HD2 ASN 46 6.489 1.537 11.370 214 2HD2 ASN 46 2HD2 ASN 46 6.108 -0.148 11.240 215 H PHE 47 H PHE 47 6.484 3.634 6.372 216 HA PHE 47 HA PHE 47 4.664 1.924 5.055 217 1HB PHE 47 2HB PHE 47 4.272 4.347 5.462 218 2HB PHE 47 1HB PHE 47 5.509 4.725 4.270 219 HD1 PHE 47 HD1 PHE 47 2.294 2.914 4.663 220 HD2 PHE 47 HD2 PHE 47 4.919 5.009 2.054 221 HE1 PHE 47 HE1 PHE 47 0.584 2.847 2.898 222 HE2 PHE 47 HE2 PHE 47 3.216 4.949 0.283 223 HZ PHE 47 HZ PHE 47 1.043 3.867 0.702 224 H ASP 48 H ASP 48 7.711 3.418 4.046 225 HA ASP 48 HA ASP 48 7.816 2.496 1.407 226 1HB ASP 48 2HB ASP 48 9.390 4.139 2.303 227 2HB ASP 48 1HB ASP 48 10.073 2.927 3.380 228 H LYS 49 H LYS 49 8.611 0.931 4.427 229 HA LYS 49 HA LYS 49 9.779 -1.395 3.239 230 1HB LYS 49 2HB LYS 49 10.468 -0.756 5.475 231 2HB LYS 49 1HB LYS 49 8.809 -0.840 6.050 232 1HG LYS 49 2HG LYS 49 8.778 -3.240 5.673 233 2HG LYS 49 1HG LYS 49 10.427 -3.174 5.048 234 1HD LYS 49 2HD LYS 49 11.245 -2.437 7.209 235 2HD LYS 49 1HD LYS 49 9.595 -2.388 7.838 236 1HE LYS 49 2HE LYS 49 10.785 -4.422 8.533 237 2HE LYS 49 1HE LYS 49 9.376 -4.781 7.538 238 1HZ LYS 49 1HZ LYS 49 10.819 -5.115 5.642 239 2HZ LYS 49 2HZ LYS 49 11.309 -6.112 6.920 240 3HZ LYS 49 3HZ LYS 49 12.184 -4.708 6.566 241 H TRP 50 H TRP 50 6.708 -0.607 4.796 242 HA TRP 50 HA TRP 50 5.337 -2.992 4.550 243 1HB TRP 50 2HB TRP 50 4.451 -1.039 5.718 244 2HB TRP 50 1HB TRP 50 4.337 -0.152 4.204 245 HD1 TRP 50 HD1 TRP 50 2.162 -0.430 2.809 246 HE1 TRP 50 HE1 TRP 50 -0.028 -1.732 3.149 247 HE3 TRP 50 HE3 TRP 50 3.548 -3.353 6.779 248 HZ2 TRP 50 HZ2 TRP 50 -1.034 -3.719 4.862 249 HZ3 TRP 50 HZ3 TRP 50 1.897 -4.927 7.703 250 HH2 TRP 50 HH2 TRP 50 -0.342 -5.103 6.763 251 H LEU 51 H LEU 51 6.161 -0.618 2.106 252 HA LEU 51 HA LEU 51 4.489 -1.979 0.121 253 1HB LEU 51 2HB LEU 51 5.853 0.641 0.272 254 2HB LEU 51 1HB LEU 51 5.735 -0.082 -1.320 255 HG LEU 51 HG LEU 51 3.893 1.448 -0.960 256 1HD1 LEU 51 1HD1 LEU 51 3.474 -0.528 -2.324 257 2HD1 LEU 51 2HD1 LEU 51 2.026 -0.051 -1.437 258 3HD1 LEU 51 3HD1 LEU 51 2.985 -1.426 -0.888 259 1HD2 LEU 51 1HD2 LEU 51 3.184 -0.294 1.395 260 2HD2 LEU 51 2HD2 LEU 51 2.210 1.033 0.760 261 3HD2 LEU 51 3HD2 LEU 51 3.790 1.359 1.471 262 H LYS 52 H LYS 52 7.889 -1.477 0.877 263 HA LYS 52 HA LYS 52 8.859 -2.576 -1.569 264 1HB LYS 52 2HB LYS 52 10.139 -0.998 -0.110 265 2HB LYS 52 1HB LYS 52 10.335 -2.303 1.051 266 1HG LYS 52 2HG LYS 52 11.537 -3.611 -0.621 267 2HG LYS 52 1HG LYS 52 11.344 -2.296 -1.782 268 1HD LYS 52 2HD LYS 52 12.611 -0.812 -0.287 269 2HD LYS 52 1HD LYS 52 12.829 -2.156 0.836 270 1HE LYS 52 2HE LYS 52 13.824 -2.022 -2.007 271 2HE LYS 52 1HE LYS 52 14.806 -1.871 -0.551 272 1HZ LYS 52 1HZ LYS 52 14.995 -4.077 -1.401 273 2HZ LYS 52 2HZ LYS 52 13.311 -4.281 -1.437 274 3HZ LYS 52 3HZ LYS 52 14.115 -4.145 0.045 275 H ASP 53 H ASP 53 8.480 -3.853 1.713 276 HA ASP 53 HA ASP 53 9.542 -6.414 1.201 277 1HB ASP 53 2HB ASP 53 7.688 -5.304 3.292 278 2HB ASP 53 1HB ASP 53 8.033 -7.026 3.230 279 H ALA 54 H ALA 54 6.372 -5.021 0.783 280 HA ALA 54 HA ALA 54 4.970 -7.417 0.215 281 1HB ALA 54 1HB ALA 54 4.345 -4.602 -0.670 282 2HB ALA 54 2HB ALA 54 3.854 -5.328 0.862 283 3HB ALA 54 3HB ALA 54 3.227 -5.966 -0.659 284 H GLY 55 H GLY 55 6.954 -5.270 -1.696 285 1HA GLY 55 2HA GLY 55 8.062 -6.019 -3.660 286 2HA GLY 55 1HA GLY 55 6.772 -7.189 -3.906 287 H VAL 56 H VAL 56 5.221 -4.457 -3.092 288 HA VAL 56 HA VAL 56 4.413 -3.930 -5.801 289 HB VAL 56 HB VAL 56 3.674 -2.397 -3.298 290 1HG1 VAL 56 1HG1 VAL 56 2.313 -2.610 -5.982 291 2HG1 VAL 56 2HG1 VAL 56 3.165 -1.200 -5.353 292 3HG1 VAL 56 3HG1 VAL 56 1.681 -1.751 -4.578 293 1HG2 VAL 56 1HG2 VAL 56 1.672 -3.803 -3.203 294 2HG2 VAL 56 2HG2 VAL 56 3.138 -4.768 -3.031 295 3HG2 VAL 56 3HG2 VAL 56 2.268 -4.750 -4.566 296 H LEU 57 H LEU 57 6.112 -2.182 -3.242 297 HA LEU 57 HA LEU 57 7.180 -0.343 -5.274 298 1HB LEU 57 2HB LEU 57 6.046 0.762 -3.397 299 2HB LEU 57 1HB LEU 57 7.076 -0.084 -2.262 300 HG LEU 57 HG LEU 57 8.776 1.321 -4.047 301 1HD1 LEU 57 1HD1 LEU 57 6.868 2.727 -4.605 302 2HD1 LEU 57 2HD1 LEU 57 8.060 3.621 -3.663 303 3HD1 LEU 57 3HD1 LEU 57 6.585 3.037 -2.891 304 1HD2 LEU 57 1HD2 LEU 57 9.265 0.720 -1.725 305 2HD2 LEU 57 2HD2 LEU 57 8.044 1.867 -1.172 306 3HD2 LEU 57 3HD2 LEU 57 9.484 2.447 -2.008 307 H ASP 58 H ASP 58 8.651 -1.923 -6.024 308 HA ASP 58 HA ASP 58 10.410 -3.419 -4.496 309 1HB ASP 58 2HB ASP 58 10.106 -3.795 -6.878 310 2HB ASP 58 1HB ASP 58 10.830 -2.234 -7.244 311 H ASN 59 H ASN 59 10.794 -0.143 -5.761 312 HA ASN 59 HA ASN 59 11.895 1.663 -4.942 313 1HB ASN 59 2HB ASN 59 11.130 0.789 -2.726 314 2HB ASN 59 1HB ASN 59 12.650 -0.083 -2.588 315 1HD2 ASN 59 1HD2 ASN 59 13.154 1.025 -0.700 316 2HD2 ASN 59 2HD2 ASN 59 13.679 2.668 -0.711 317 H LYS 60 H LYS 60 13.400 -1.182 -5.797 318 HA LYS 60 HA LYS 60 16.081 0.038 -5.690 319 1HB LYS 60 2HB LYS 60 15.773 -2.162 -4.562 320 2HB LYS 60 1HB LYS 60 15.306 -2.854 -6.101 321 1HG LYS 60 2HG LYS 60 17.507 -2.453 -7.002 322 2HG LYS 60 1HG LYS 60 17.997 -1.639 -5.514 323 1HD LYS 60 2HD LYS 60 17.669 -3.707 -4.261 324 2HD LYS 60 1HD LYS 60 17.129 -4.521 -5.730 325 1HE LYS 60 2HE LYS 60 19.307 -4.242 -6.733 326 2HE LYS 60 1HE LYS 60 19.858 -3.297 -5.349 327 1HZ LYS 60 1HZ LYS 60 20.592 -5.649 -5.320 328 2HZ LYS 60 2HZ LYS 60 18.971 -6.127 -5.176 329 3HZ LYS 60 3HZ LYS 60 19.695 -5.209 -3.952 330 H ALA 61 H ALA 61 14.054 -2.040 -7.720 331 HA ALA 61 HA ALA 61 15.436 -1.010 -10.113 332 1HB ALA 61 1HB ALA 61 14.639 -2.998 -11.254 333 2HB ALA 61 2HB ALA 61 13.731 -3.484 -9.823 334 3HB ALA 61 3HB ALA 61 15.494 -3.443 -9.779 335 H ILE 62 H ILE 62 13.105 0.183 -8.522 336 HA ILE 62 HA ILE 62 11.037 0.245 -10.584 337 HB ILE 62 HB ILE 62 11.148 1.515 -7.836 338 1HG1 ILE 62 2HG1 ILE 62 10.722 -0.904 -7.870 339 2HG1 ILE 62 1HG1 ILE 62 9.303 -0.013 -7.332 340 1HG2 ILE 62 1HG2 ILE 62 9.972 3.028 -9.319 341 2HG2 ILE 62 2HG2 ILE 62 8.833 2.244 -8.223 342 3HG2 ILE 62 3HG2 ILE 62 8.956 1.707 -9.899 343 1HD1 ILE 62 1HD1 ILE 62 9.721 -1.119 -10.097 344 2HD1 ILE 62 2HD1 ILE 62 8.285 -0.276 -9.516 345 3HD1 ILE 62 3HD1 ILE 62 8.724 -1.844 -8.835 346 H THR 63 H THR 63 10.824 1.697 -12.021 347 HA THR 63 HA THR 63 12.843 3.507 -12.639 348 HB THR 63 HB THR 63 10.020 3.732 -13.658 349 HG1 THR 63 HG1 THR 63 10.838 2.058 -15.221 350 1HG2 THR 63 1HG2 THR 63 12.740 4.052 -14.915 351 2HG2 THR 63 2HG2 THR 63 11.631 5.350 -14.472 352 3HG2 THR 63 3HG2 THR 63 11.201 4.222 -15.759 353 H GLY 64 H GLY 64 13.007 5.723 -12.500 354 1HA GLY 64 2HA GLY 64 11.977 7.012 -10.240 355 2HA GLY 64 1HA GLY 64 12.758 7.810 -11.596 356 H THR 65 H THR 65 10.688 6.732 -13.456 357 HA THR 65 HA THR 65 8.896 8.845 -13.550 358 HB THR 65 HB THR 65 8.228 6.078 -14.555 359 HG1 THR 65 HG1 THR 65 9.498 6.598 -16.386 360 1HG2 THR 65 1HG2 THR 65 6.503 7.806 -14.823 361 2HG2 THR 65 2HG2 THR 65 7.167 7.321 -16.383 362 3HG2 THR 65 3HG2 THR 65 7.668 8.843 -15.646 363 H MET 66 H MET 66 8.594 5.687 -11.997 364 HA MET 66 HA MET 66 5.882 6.233 -11.147 365 1HB MET 66 2HB MET 66 7.711 3.896 -10.570 366 2HB MET 66 1HB MET 66 6.041 4.011 -10.038 367 1HG MET 66 2HG MET 66 6.049 2.639 -11.958 368 2HG MET 66 1HG MET 66 5.378 4.192 -12.449 369 1HE MET 66 1HE MET 66 5.701 3.613 -14.993 370 2HE MET 66 2HE MET 66 6.341 2.031 -14.544 371 3HE MET 66 3HE MET 66 7.219 3.046 -15.689 372 H THR 67 H THR 67 8.961 5.510 -9.471 373 HA THR 67 HA THR 67 7.848 5.981 -6.907 374 HB THR 67 HB THR 67 9.757 4.514 -7.113 375 HG1 THR 67 HG1 THR 67 11.037 6.547 -5.732 376 1HG2 THR 67 1HG2 THR 67 10.889 5.573 -8.998 377 2HG2 THR 67 2HG2 THR 67 12.000 5.347 -7.646 378 3HG2 THR 67 3HG2 THR 67 11.326 6.943 -7.977 379 H GLY 68 H GLY 68 9.822 8.011 -9.055 380 1HA GLY 68 2HA GLY 68 10.302 10.058 -7.175 381 2HA GLY 68 1HA GLY 68 10.416 10.225 -8.921 382 H ILE 69 H ILE 69 7.859 9.824 -9.758 383 HA ILE 69 HA ILE 69 6.680 12.330 -9.138 384 HB ILE 69 HB ILE 69 5.505 9.980 -10.637 385 1HG1 ILE 69 2HG1 ILE 69 6.922 12.476 -11.623 386 2HG1 ILE 69 1HG1 ILE 69 7.553 10.830 -11.672 387 1HG2 ILE 69 1HG2 ILE 69 3.766 11.475 -9.836 388 2HG2 ILE 69 2HG2 ILE 69 3.942 11.615 -11.585 389 3HG2 ILE 69 3HG2 ILE 69 4.610 12.859 -10.529 390 1HD1 ILE 69 1HD1 ILE 69 5.122 11.814 -13.160 391 2HD1 ILE 69 2HD1 ILE 69 5.819 10.197 -13.246 392 3HD1 ILE 69 3HD1 ILE 69 6.729 11.580 -13.849 393 H ALA 70 H ALA 70 5.951 8.991 -8.188 394 HA ALA 70 HA ALA 70 3.511 9.403 -6.915 395 1HB ALA 70 1HB ALA 70 4.466 7.176 -7.318 396 2HB ALA 70 2HB ALA 70 3.967 7.387 -5.640 397 3HB ALA 70 3HB ALA 70 5.674 7.478 -6.069 398 H PHE 71 H PHE 71 6.750 9.367 -5.421 399 HA PHE 71 HA PHE 71 5.859 10.177 -2.890 400 1HB PHE 71 2HB PHE 71 8.550 10.183 -4.210 401 2HB PHE 71 1HB PHE 71 8.333 10.917 -2.622 402 HD1 PHE 71 HD1 PHE 71 7.421 9.511 -0.754 403 HD2 PHE 71 HD2 PHE 71 8.726 7.849 -4.445 404 HE1 PHE 71 HE1 PHE 71 7.583 7.298 0.307 405 HE2 PHE 71 HE2 PHE 71 8.893 5.631 -3.391 406 HZ PHE 71 HZ PHE 71 8.320 5.353 -1.012 407 H SER 72 H SER 72 7.088 12.118 -5.614 408 HA SER 72 HA SER 72 7.120 14.578 -4.308 409 1HB SER 72 2HB SER 72 6.467 14.017 -7.213 410 2HB SER 72 1HB SER 72 6.968 15.569 -6.548 411 HG SER 72 HG SER 72 8.456 13.222 -6.937 412 H LYS 73 H LYS 73 4.394 12.733 -5.504 413 HA LYS 73 HA LYS 73 2.574 14.967 -5.324 414 1HB LYS 73 2HB LYS 73 2.200 12.034 -5.892 415 2HB LYS 73 1HB LYS 73 0.843 13.127 -5.697 416 1HG LYS 73 2HG LYS 73 1.750 14.499 -7.560 417 2HG LYS 73 1HG LYS 73 2.994 13.270 -7.794 418 1HD LYS 73 2HD LYS 73 1.310 11.605 -8.293 419 2HD LYS 73 1HD LYS 73 0.022 12.757 -7.932 420 1HE LYS 73 2HE LYS 73 0.813 14.175 -9.792 421 2HE LYS 73 1HE LYS 73 2.029 12.958 -10.176 422 1HZ LYS 73 1HZ LYS 73 -0.893 12.416 -10.154 423 2HZ LYS 73 2HZ LYS 73 0.334 11.410 -10.747 424 3HZ LYS 73 3HZ LYS 73 -0.031 12.855 -11.548 425 H VAL 74 H VAL 74 3.623 12.354 -3.252 426 HA VAL 74 HA VAL 74 1.388 12.826 -1.426 427 HB VAL 74 HB VAL 74 2.083 10.740 -0.342 428 1HG1 VAL 74 1HG1 VAL 74 1.824 10.535 -3.330 429 2HG1 VAL 74 2HG1 VAL 74 0.497 10.676 -2.178 430 3HG1 VAL 74 3HG1 VAL 74 1.515 9.235 -2.181 431 1HG2 VAL 74 1HG2 VAL 74 4.479 10.819 -0.704 432 2HG2 VAL 74 2HG2 VAL 74 4.238 10.657 -2.443 433 3HG2 VAL 74 3HG2 VAL 74 3.813 9.326 -1.368 434 H THR 75 H THR 75 4.898 12.869 -1.537 435 HA THR 75 HA THR 75 5.341 14.944 0.194 436 HB THR 75 HB THR 75 4.459 13.652 2.041 437 HG1 THR 75 HG1 THR 75 7.187 13.335 2.543 438 1HG2 THR 75 1HG2 THR 75 6.486 11.526 1.331 439 2HG2 THR 75 2HG2 THR 75 4.736 11.393 1.149 440 3HG2 THR 75 3HG2 THR 75 5.446 11.526 2.757 441 H GLY 76 H GLY 76 7.112 15.556 -0.863 442 1HA GLY 76 2HA GLY 76 8.920 14.138 -2.313 443 2HA GLY 76 1HA GLY 76 9.347 15.598 -1.433 444 HA PRO 77 HA PRO 77 11.752 13.104 1.421 445 1HB PRO 77 2HB PRO 77 10.430 14.132 3.816 446 2HB PRO 77 1HB PRO 77 12.080 14.404 3.252 447 1HG PRO 77 2HG PRO 77 10.204 16.352 3.244 448 2HG PRO 77 1HG PRO 77 11.500 16.268 2.038 449 1HD PRO 77 2HD PRO 77 8.632 15.434 1.800 450 2HD PRO 77 1HD PRO 77 9.661 16.285 0.626 451 H LYS 78 H LYS 78 11.612 11.060 2.139 452 HA LYS 78 HA LYS 78 9.090 9.755 2.288 453 1HB LYS 78 2HB LYS 78 11.886 8.800 2.873 454 2HB LYS 78 1HB LYS 78 10.477 7.760 3.012 455 1HG LYS 78 2HG LYS 78 9.989 8.289 0.596 456 2HG LYS 78 1HG LYS 78 11.575 9.059 0.532 457 1HD LYS 78 2HD LYS 78 12.653 6.979 1.141 458 2HD LYS 78 1HD LYS 78 11.086 6.193 1.341 459 1HE LYS 78 2HE LYS 78 10.636 6.642 -1.073 460 2HE LYS 78 1HE LYS 78 12.284 7.250 -1.221 461 1HZ LYS 78 1HZ LYS 78 11.502 4.484 -0.430 462 2HZ LYS 78 2HZ LYS 78 13.095 5.066 -0.522 463 3HZ LYS 78 3HZ LYS 78 12.156 4.953 -1.924 464 H LYS 79 H LYS 79 10.774 11.549 4.535 465 HA LYS 79 HA LYS 79 10.862 10.433 6.951 466 1HB LYS 79 2HB LYS 79 9.603 13.103 6.339 467 2HB LYS 79 1HB LYS 79 10.137 12.592 7.932 468 1HG LYS 79 2HG LYS 79 12.429 12.439 7.130 469 2HG LYS 79 1HG LYS 79 11.901 12.917 5.515 470 1HD LYS 79 2HD LYS 79 12.828 14.826 6.716 471 2HD LYS 79 1HD LYS 79 11.106 15.055 6.410 472 1HE LYS 79 2HE LYS 79 10.646 14.255 8.716 473 2HE LYS 79 1HE LYS 79 12.386 14.199 9.001 474 1HZ LYS 79 1HZ LYS 79 11.376 16.245 9.828 475 2HZ LYS 79 2HZ LYS 79 10.848 16.632 8.263 476 3HZ LYS 79 3HZ LYS 79 12.506 16.567 8.607 477 H LYS 80 H LYS 80 7.827 12.105 6.064 478 HA LYS 80 HA LYS 80 6.105 9.995 6.753 479 1HB LYS 80 2HB LYS 80 5.185 10.798 8.865 480 2HB LYS 80 1HB LYS 80 6.893 10.434 9.052 481 1HG LYS 80 2HG LYS 80 7.472 12.733 9.089 482 2HG LYS 80 1HG LYS 80 5.860 13.216 8.559 483 1HD LYS 80 2HD LYS 80 6.495 11.865 11.187 484 2HD LYS 80 1HD LYS 80 6.223 13.596 10.975 485 1HE LYS 80 2HE LYS 80 3.959 13.145 10.170 486 2HE LYS 80 1HE LYS 80 4.230 11.412 10.362 487 1HZ LYS 80 1HZ LYS 80 4.526 11.764 12.743 488 2HZ LYS 80 2HZ LYS 80 3.003 12.310 12.227 489 3HZ LYS 80 3HZ LYS 80 4.233 13.428 12.551 490 H ALA 81 H ALA 81 3.860 10.617 6.600 491 HA ALA 81 HA ALA 81 3.317 13.419 6.038 492 1HB ALA 81 1HB ALA 81 2.568 11.252 4.083 493 2HB ALA 81 2HB ALA 81 3.826 12.466 3.847 494 3HB ALA 81 3HB ALA 81 2.137 12.958 3.964 495 H THR 82 H THR 82 1.190 10.739 5.177 496 HA THR 82 HA THR 82 -0.381 10.496 7.423 497 HB THR 82 HB THR 82 -0.669 12.960 7.342 498 HG1 THR 82 HG1 THR 82 -2.454 12.188 8.243 499 1HG2 THR 82 1HG2 THR 82 -0.492 13.324 4.943 500 2HG2 THR 82 2HG2 THR 82 -2.024 13.963 5.540 501 3HG2 THR 82 3HG2 THR 82 -1.987 12.427 4.675 502 H PHE 83 H PHE 83 -2.903 10.260 6.598 503 HA PHE 83 HA PHE 83 -2.848 8.031 4.882 504 1HB PHE 83 2HB PHE 83 -4.583 8.293 6.575 505 2HB PHE 83 1HB PHE 83 -5.204 9.717 5.744 506 HD1 PHE 83 HD1 PHE 83 -7.014 9.449 4.354 507 HD2 PHE 83 HD2 PHE 83 -4.444 6.128 5.054 508 HE1 PHE 83 HE1 PHE 83 -8.499 8.021 3.016 509 HE2 PHE 83 HE2 PHE 83 -5.930 4.695 3.715 510 HZ PHE 83 HZ PHE 83 -7.957 5.642 2.695 511 H ASP 84 H ASP 84 -3.514 11.430 4.285 512 HA ASP 84 HA ASP 84 -4.548 11.326 1.708 513 1HB ASP 84 2HB ASP 84 -4.387 13.444 2.835 514 2HB ASP 84 1HB ASP 84 -2.638 13.305 2.969 515 H GLU 85 H GLU 85 -1.194 11.291 2.778 516 HA GLU 85 HA GLU 85 0.078 10.879 0.327 517 1HB GLU 85 2HB GLU 85 1.483 11.368 2.116 518 2HB GLU 85 1HB GLU 85 0.672 10.243 3.190 519 1HG GLU 85 2HG GLU 85 1.877 8.788 1.053 520 2HG GLU 85 1HG GLU 85 3.065 9.878 1.775 521 H THR 86 H THR 86 -0.834 8.483 2.781 522 HA THR 86 HA THR 86 -0.074 6.190 1.509 523 HB THR 86 HB THR 86 -2.491 6.507 3.293 524 HG1 THR 86 HG1 THR 86 0.258 6.704 3.738 525 1HG2 THR 86 1HG2 THR 86 -0.652 4.158 2.839 526 2HG2 THR 86 2HG2 THR 86 -2.295 4.305 2.217 527 3HG2 THR 86 3HG2 THR 86 -2.021 4.215 3.955 528 H LYS 87 H LYS 87 -3.305 7.719 1.305 529 HA LYS 87 HA LYS 87 -4.417 5.702 -0.338 530 1HB LYS 87 2HB LYS 87 -6.221 7.323 -0.796 531 2HB LYS 87 1HB LYS 87 -5.856 7.196 0.919 532 1HG LYS 87 2HG LYS 87 -4.473 9.268 0.686 533 2HG LYS 87 1HG LYS 87 -5.086 9.415 -0.960 534 1HD LYS 87 2HD LYS 87 -6.875 9.245 1.458 535 2HD LYS 87 1HD LYS 87 -6.294 10.771 0.795 536 1HE LYS 87 2HE LYS 87 -7.881 8.720 -0.739 537 2HE LYS 87 1HE LYS 87 -8.562 10.157 0.018 538 1HZ LYS 87 1HZ LYS 87 -6.999 11.473 -1.396 539 2HZ LYS 87 2HZ LYS 87 -8.213 10.660 -2.251 540 3HZ LYS 87 3HZ LYS 87 -6.633 10.043 -2.237 541 H LYS 88 H LYS 88 -2.677 8.688 -1.080 542 HA LYS 88 HA LYS 88 -3.154 8.490 -3.887 543 1HB LYS 88 2HB LYS 88 -1.227 10.126 -2.254 544 2HB LYS 88 1HB LYS 88 -1.252 10.174 -4.008 545 1HG LYS 88 2HG LYS 88 -3.635 10.854 -3.908 546 2HG LYS 88 1HG LYS 88 -3.493 10.925 -2.151 547 1HD LYS 88 2HD LYS 88 -1.816 12.527 -4.081 548 2HD LYS 88 1HD LYS 88 -3.249 13.135 -3.251 549 1HE LYS 88 2HE LYS 88 -2.124 12.619 -1.087 550 2HE LYS 88 1HE LYS 88 -0.669 12.211 -1.998 551 1HZ LYS 88 1HZ LYS 88 -2.024 14.850 -2.122 552 2HZ LYS 88 2HZ LYS 88 -0.526 14.439 -2.800 553 3HZ LYS 88 3HZ LYS 88 -0.701 14.511 -1.118 554 H VAL 89 H VAL 89 -0.481 7.541 -1.744 555 HA VAL 89 HA VAL 89 1.356 6.812 -3.732 556 HB VAL 89 HB VAL 89 1.056 5.418 -1.064 557 1HG1 VAL 89 1HG1 VAL 89 3.434 5.790 -2.872 558 2HG1 VAL 89 2HG1 VAL 89 2.528 4.293 -2.646 559 3HG1 VAL 89 3HG1 VAL 89 3.443 4.982 -1.305 560 1HG2 VAL 89 1HG2 VAL 89 2.627 7.902 -1.735 561 2HG2 VAL 89 2HG2 VAL 89 2.710 7.018 -0.211 562 3HG2 VAL 89 3HG2 VAL 89 1.210 7.814 -0.689 563 H LEU 90 H LEU 90 -0.957 4.754 -1.957 564 HA LEU 90 HA LEU 90 -0.337 2.393 -3.326 565 1HB LEU 90 2HB LEU 90 -2.897 3.206 -1.958 566 2HB LEU 90 1HB LEU 90 -2.564 1.585 -2.532 567 HG LEU 90 HG LEU 90 -1.185 3.059 -0.290 568 1HD1 LEU 90 1HD1 LEU 90 -2.718 0.468 -0.388 569 2HD1 LEU 90 2HD1 LEU 90 -3.300 1.997 0.272 570 3HD1 LEU 90 3HD1 LEU 90 -1.948 1.163 1.038 571 1HD2 LEU 90 1HD2 LEU 90 0.267 1.115 -0.054 572 2HD2 LEU 90 2HD2 LEU 90 0.502 1.889 -1.621 573 3HD2 LEU 90 3HD2 LEU 90 -0.437 0.401 -1.504 574 H ALA 91 H ALA 91 -2.836 4.824 -3.967 575 HA ALA 91 HA ALA 91 -4.017 3.394 -6.111 576 1HB ALA 91 1HB ALA 91 -5.180 5.148 -4.836 577 2HB ALA 91 2HB ALA 91 -5.230 5.425 -6.577 578 3HB ALA 91 3HB ALA 91 -4.122 6.354 -5.568 579 H PHE 92 H PHE 92 -1.417 5.767 -5.951 580 HA PHE 92 HA PHE 92 -1.277 6.223 -8.758 581 1HB PHE 92 2HB PHE 92 -0.362 7.794 -7.067 582 2HB PHE 92 1HB PHE 92 0.884 6.616 -6.675 583 HD1 PHE 92 HD1 PHE 92 -0.220 9.156 -9.014 584 HD2 PHE 92 HD2 PHE 92 2.656 6.100 -8.308 585 HE1 PHE 92 HE1 PHE 92 1.212 10.096 -10.779 586 HE2 PHE 92 HE2 PHE 92 4.090 7.034 -10.073 587 HZ PHE 92 HZ PHE 92 3.369 9.036 -11.311 588 H VAL 93 H VAL 93 0.685 4.232 -6.542 589 HA VAL 93 HA VAL 93 2.443 3.236 -8.492 590 HB VAL 93 HB VAL 93 1.600 1.938 -5.893 591 1HG1 VAL 93 1HG1 VAL 93 2.611 0.298 -7.360 592 2HG1 VAL 93 2HG1 VAL 93 3.732 0.710 -6.063 593 3HG1 VAL 93 3HG1 VAL 93 3.969 1.379 -7.676 594 1HG2 VAL 93 1HG2 VAL 93 3.942 3.721 -6.556 595 2HG2 VAL 93 2HG2 VAL 93 3.680 2.912 -5.012 596 3HG2 VAL 93 3HG2 VAL 93 2.549 4.149 -5.563 597 H ALA 94 H ALA 94 -0.569 1.880 -7.183 598 HA ALA 94 HA ALA 94 -0.578 -0.470 -8.729 599 1HB ALA 94 1HB ALA 94 -2.042 -0.144 -6.780 600 2HB ALA 94 2HB ALA 94 -2.951 -0.614 -8.217 601 3HB ALA 94 3HB ALA 94 -2.956 1.067 -7.684 602 H GLU 95 H GLU 95 -1.777 2.780 -9.352 603 HA GLU 95 HA GLU 95 -3.307 2.247 -11.619 604 1HB GLU 95 2HB GLU 95 -3.404 4.379 -10.411 605 2HB GLU 95 1HB GLU 95 -1.778 4.766 -10.956 606 1HG GLU 95 2HG GLU 95 -2.565 4.745 -13.278 607 2HG GLU 95 1HG GLU 95 -4.198 4.403 -12.708 608 H ASP 96 H ASP 96 -0.043 3.724 -11.610 609 HA ASP 96 HA ASP 96 0.100 3.634 -14.436 610 1HB ASP 96 2HB ASP 96 1.420 5.110 -12.705 611 2HB ASP 96 1HB ASP 96 2.596 3.802 -12.801 612 H ARG 97 H ARG 97 1.236 1.446 -11.940 613 HA ARG 97 HA ARG 97 2.913 -0.199 -13.439 614 1HB ARG 97 2HB ARG 97 2.698 -0.421 -11.024 615 2HB ARG 97 1HB ARG 97 1.026 -0.934 -11.191 616 1HG ARG 97 2HG ARG 97 1.736 -2.968 -12.302 617 2HG ARG 97 1HG ARG 97 3.419 -2.444 -12.220 618 1HD ARG 97 2HD ARG 97 3.319 -2.466 -9.786 619 2HD ARG 97 1HD ARG 97 1.623 -2.945 -9.848 620 HE ARG 97 HE ARG 97 2.350 -5.048 -10.830 621 1HH1 ARG 97 1HH1 ARG 97 4.807 -3.084 -9.304 622 2HH1 ARG 97 2HH1 ARG 97 5.880 -4.421 -9.006 623 1HH2 ARG 97 1HH2 ARG 97 3.770 -6.815 -10.436 624 2HH2 ARG 97 2HH2 ARG 97 5.281 -6.527 -9.635 625 H ALA 98 H ALA 98 -0.587 -0.517 -12.886 626 HA ALA 98 HA ALA 98 -0.878 -2.626 -14.798 627 1HB ALA 98 1HB ALA 98 -2.420 -2.375 -12.917 628 2HB ALA 98 2HB ALA 98 -3.278 -2.320 -14.458 629 3HB ALA 98 3HB ALA 98 -2.967 -0.831 -13.567 630 H ARG 99 H ARG 99 -1.462 0.828 -14.748 631 HA ARG 99 HA ARG 99 -2.827 1.323 -17.041 632 1HB ARG 99 2HB ARG 99 -2.247 3.034 -15.454 633 2HB ARG 99 1HB ARG 99 -0.539 2.843 -15.794 634 1HG ARG 99 2HG ARG 99 -1.044 3.669 -18.131 635 2HG ARG 99 1HG ARG 99 -2.645 4.104 -17.520 636 1HD ARG 99 2HD ARG 99 -1.501 5.396 -15.700 637 2HD ARG 99 1HD ARG 99 0.024 5.102 -16.529 638 HE ARG 99 HE ARG 99 -1.940 6.321 -18.218 639 1HH1 ARG 99 1HH1 ARG 99 0.586 6.906 -15.851 640 2HH1 ARG 99 2HH1 ARG 99 0.727 8.595 -16.244 641 1HH2 ARG 99 1HH2 ARG 99 -1.741 8.518 -18.748 642 2HH2 ARG 99 2HH2 ARG 99 -0.600 9.514 -17.895 643 H GLN 100 H GLN 100 0.711 1.003 -16.811 644 HA GLN 100 HA GLN 100 1.105 1.452 -19.604 645 1HB GLN 100 2HB GLN 100 2.814 1.982 -17.908 646 2HB GLN 100 1HB GLN 100 2.973 0.270 -17.545 647 1HG GLN 100 2HG GLN 100 3.751 -0.136 -19.829 648 2HG GLN 100 1HG GLN 100 3.620 1.590 -20.169 649 1HE2 GLN 100 1HE2 GLN 100 5.409 -0.884 -18.534 650 2HE2 GLN 100 2HE2 GLN 100 6.778 0.088 -18.124 651 H SER 101 H SER 101 0.837 -1.417 -17.573 652 HA SER 101 HA SER 101 1.748 -3.118 -19.762 653 1HB SER 101 2HB SER 101 1.062 -3.890 -16.917 654 2HB SER 101 1HB SER 101 1.948 -4.859 -18.095 655 HG SER 101 HG SER 101 2.824 -2.827 -16.477 656 H LYS 102 H LYS 102 -0.990 -3.097 -17.477 657 HA LYS 102 HA LYS 102 -2.330 -5.113 -19.117 658 1HB LYS 102 2HB LYS 102 -2.862 -4.109 -16.319 659 2HB LYS 102 1HB LYS 102 -3.784 -5.375 -17.117 660 1HG LYS 102 2HG LYS 102 -1.894 -6.830 -17.162 661 2HG LYS 102 1HG LYS 102 -0.821 -5.541 -16.615 662 1HD LYS 102 2HD LYS 102 -2.077 -5.450 -14.489 663 2HD LYS 102 1HD LYS 102 -3.064 -6.803 -15.044 664 1HE LYS 102 2HE LYS 102 -1.168 -8.259 -15.095 665 2HE LYS 102 1HE LYS 102 -0.064 -6.919 -14.794 666 1HZ LYS 102 1HZ LYS 102 -2.097 -7.983 -12.905 667 2HZ LYS 102 2HZ LYS 102 -1.118 -6.626 -12.613 668 3HZ LYS 102 3HZ LYS 102 -0.416 -8.159 -12.779 669 H LYS 103 H LYS 103 -2.796 -1.934 -17.739 670 HA LYS 103 HA LYS 103 -4.062 -0.188 -18.542 671 1HB LYS 103 2HB LYS 103 -5.765 -2.278 -19.874 672 2HB LYS 103 1HB LYS 103 -6.274 -0.603 -19.723 673 1HG LYS 103 2HG LYS 103 -4.192 0.065 -20.917 674 2HG LYS 103 1HG LYS 103 -3.863 -1.647 -21.191 675 1HD LYS 103 2HD LYS 103 -4.939 -0.669 -23.140 676 2HD LYS 103 1HD LYS 103 -6.009 -1.849 -22.379 677 1HE LYS 103 2HE LYS 103 -7.213 -0.040 -21.262 678 2HE LYS 103 1HE LYS 103 -6.142 1.143 -22.009 679 1HZ LYS 103 1HZ LYS 103 -6.944 0.377 -24.190 680 2HZ LYS 103 2HZ LYS 103 -8.184 1.018 -23.228 681 3HZ LYS 103 3HZ LYS 103 -8.041 -0.660 -23.415 682 HA PRO 104 HA PRO 104 -7.883 -1.158 -15.816 683 1HB PRO 104 2HB PRO 104 -8.190 -3.680 -14.827 684 2HB PRO 104 1HB PRO 104 -8.964 -3.108 -16.309 685 1HG PRO 104 2HG PRO 104 -6.476 -4.734 -15.977 686 2HG PRO 104 1HG PRO 104 -7.800 -4.937 -17.140 687 1HD PRO 104 2HD PRO 104 -5.472 -3.778 -17.824 688 2HD PRO 104 1HD PRO 104 -7.021 -3.253 -18.515 689 H ILE 105 H ILE 105 -6.972 -0.006 -14.226 690 HA ILE 105 HA ILE 105 -4.852 -0.897 -12.576 691 HB ILE 105 HB ILE 105 -5.149 1.452 -12.853 692 1HG1 ILE 105 2HG1 ILE 105 -4.533 0.446 -10.492 693 2HG1 ILE 105 1HG1 ILE 105 -4.747 2.177 -10.703 694 1HG2 ILE 105 1HG2 ILE 105 -7.111 2.679 -12.044 695 2HG2 ILE 105 2HG2 ILE 105 -7.890 1.146 -11.651 696 3HG2 ILE 105 3HG2 ILE 105 -7.503 1.535 -13.328 697 1HD1 ILE 105 1HD1 ILE 105 -5.800 1.402 -8.663 698 2HD1 ILE 105 2HD1 ILE 105 -6.786 0.265 -9.584 699 3HD1 ILE 105 3HD1 ILE 105 -7.010 2.000 -9.797 700 H GLN 106 H GLN 106 -8.363 -0.922 -12.211 701 HA GLN 106 HA GLN 106 -8.512 -1.559 -9.507 702 1HB GLN 106 2HB GLN 106 -10.444 -0.884 -10.889 703 2HB GLN 106 1HB GLN 106 -10.398 -2.443 -11.698 704 1HG GLN 106 2HG GLN 106 -12.132 -2.328 -9.966 705 2HG GLN 106 1HG GLN 106 -10.931 -3.577 -9.633 706 1HE2 GLN 106 1HE2 GLN 106 -9.491 -3.295 -7.928 707 2HE2 GLN 106 2HE2 GLN 106 -9.755 -2.124 -6.685 708 H ASP 107 H ASP 107 -8.109 -3.686 -12.306 709 HA ASP 107 HA ASP 107 -8.311 -6.121 -10.880 710 1HB ASP 107 2HB ASP 107 -7.049 -5.408 -13.523 711 2HB ASP 107 1HB ASP 107 -6.978 -7.040 -12.870 712 H GLU 108 H GLU 108 -5.584 -4.026 -11.676 713 HA GLU 108 HA GLU 108 -3.557 -5.726 -10.705 714 1HB GLU 108 2HB GLU 108 -3.194 -3.706 -12.146 715 2HB GLU 108 1HB GLU 108 -3.529 -2.704 -10.742 716 1HG GLU 108 2HG GLU 108 -1.154 -2.875 -11.064 717 2HG GLU 108 1HG GLU 108 -1.607 -3.727 -9.586 718 H LEU 109 H LEU 109 -5.440 -3.130 -9.144 719 HA LEU 109 HA LEU 109 -4.127 -3.279 -6.653 720 1HB LEU 109 2HB LEU 109 -5.615 -1.410 -7.279 721 2HB LEU 109 1HB LEU 109 -6.994 -2.495 -7.194 722 HG LEU 109 HG LEU 109 -6.399 -2.887 -4.769 723 1HD1 LEU 109 1HD1 LEU 109 -5.016 -1.209 -3.669 724 2HD1 LEU 109 2HD1 LEU 109 -4.629 -0.495 -5.235 725 3HD1 LEU 109 3HD1 LEU 109 -4.093 -2.132 -4.855 726 1HD2 LEU 109 1HD2 LEU 109 -7.421 -0.805 -4.005 727 2HD2 LEU 109 2HD2 LEU 109 -8.249 -1.458 -5.417 728 3HD2 LEU 109 3HD2 LEU 109 -7.151 -0.089 -5.594 729 H ASP 110 H ASP 110 -6.949 -4.955 -7.958 730 HA ASP 110 HA ASP 110 -7.648 -6.364 -5.627 731 1HB ASP 110 2HB ASP 110 -9.106 -6.203 -7.618 732 2HB ASP 110 1HB ASP 110 -7.988 -7.229 -8.507 733 H ALA 111 H ALA 111 -5.438 -7.118 -8.271 734 HA ALA 111 HA ALA 111 -4.587 -9.647 -7.407 735 1HB ALA 111 1HB ALA 111 -3.042 -7.533 -8.913 736 2HB ALA 111 2HB ALA 111 -4.067 -8.783 -9.622 737 3HB ALA 111 3HB ALA 111 -2.587 -9.231 -8.776 738 H ILE 112 H ILE 112 -3.295 -6.411 -6.728 739 HA ILE 112 HA ILE 112 -1.205 -7.137 -5.021 740 HB ILE 112 HB ILE 112 -2.942 -4.661 -4.975 741 1HG1 ILE 112 2HG1 ILE 112 -0.191 -5.104 -6.153 742 2HG1 ILE 112 1HG1 ILE 112 -1.686 -5.091 -7.081 743 1HG2 ILE 112 1HG2 ILE 112 -0.305 -5.182 -3.610 744 2HG2 ILE 112 2HG2 ILE 112 -1.859 -4.892 -2.830 745 3HG2 ILE 112 3HG2 ILE 112 -1.078 -3.602 -3.743 746 1HD1 ILE 112 1HD1 ILE 112 -0.544 -2.788 -5.520 747 2HD1 ILE 112 2HD1 ILE 112 -2.065 -2.767 -6.413 748 3HD1 ILE 112 3HD1 ILE 112 -0.539 -2.975 -7.274 749 H THR 113 H THR 113 -4.586 -6.349 -4.294 750 HA THR 113 HA THR 113 -4.450 -6.448 -1.516 751 HB THR 113 HB THR 113 -6.860 -7.221 -3.174 752 HG1 THR 113 HG1 THR 113 -5.893 -5.201 -3.844 753 1HG2 THR 113 1HG2 THR 113 -6.588 -5.933 -0.459 754 2HG2 THR 113 2HG2 THR 113 -7.147 -7.575 -0.784 755 3HG2 THR 113 3HG2 THR 113 -8.105 -6.194 -1.318 756 H GLU 114 H GLU 114 -5.348 -9.060 -3.791 757 HA GLU 114 HA GLU 114 -5.647 -10.998 -1.728 758 1HB GLU 114 2HB GLU 114 -5.747 -12.655 -3.545 759 2HB GLU 114 1HB GLU 114 -6.816 -11.294 -3.830 760 1HG GLU 114 2HG GLU 114 -5.949 -11.319 -5.881 761 2HG GLU 114 1HG GLU 114 -4.582 -10.495 -5.139 762 H LYS 115 H LYS 115 -2.988 -10.079 -3.845 763 HA LYS 115 HA LYS 115 -1.251 -12.209 -3.314 764 1HB LYS 115 2HB LYS 115 -0.961 -10.486 -5.103 765 2HB LYS 115 1HB LYS 115 -0.488 -9.335 -3.863 766 1HG LYS 115 2HG LYS 115 1.469 -10.202 -4.944 767 2HG LYS 115 1HG LYS 115 1.415 -10.780 -3.281 768 1HD LYS 115 2HD LYS 115 2.093 -12.596 -4.697 769 2HD LYS 115 1HD LYS 115 0.464 -12.921 -4.111 770 1HE LYS 115 2HE LYS 115 0.954 -11.629 -6.781 771 2HE LYS 115 1HE LYS 115 0.972 -13.379 -6.585 772 1HZ LYS 115 1HZ LYS 115 -1.313 -11.611 -5.899 773 2HZ LYS 115 2HZ LYS 115 -1.284 -13.296 -5.764 774 3HZ LYS 115 3HZ LYS 115 -1.199 -12.563 -7.293 775 H LEU 116 H LEU 116 -1.724 -9.126 -1.646 776 HA LEU 116 HA LEU 116 0.359 -9.328 0.213 777 1HB LEU 116 2HB LEU 116 -2.336 -8.016 0.439 778 2HB LEU 116 1HB LEU 116 -1.041 -7.793 1.599 779 HG LEU 116 HG LEU 116 -0.681 -7.145 -1.314 780 1HD1 LEU 116 1HD1 LEU 116 -1.622 -5.288 0.867 781 2HD1 LEU 116 2HD1 LEU 116 -2.583 -5.849 -0.502 782 3HD1 LEU 116 3HD1 LEU 116 -1.177 -4.819 -0.773 783 1HD2 LEU 116 1HD2 LEU 116 1.339 -7.399 0.029 784 2HD2 LEU 116 2HD2 LEU 116 0.721 -6.230 1.196 785 3HD2 LEU 116 3HD2 LEU 116 1.106 -5.717 -0.448 786 H ALA 117 H ALA 117 -2.940 -10.551 0.301 787 HA ALA 117 HA ALA 117 -2.965 -11.558 2.922 788 1HB ALA 117 1HB ALA 117 -4.973 -11.337 1.520 789 2HB ALA 117 2HB ALA 117 -4.815 -12.966 2.173 790 3HB ALA 117 3HB ALA 117 -4.395 -12.646 0.490 791 H LYS 118 H LYS 118 -1.801 -12.898 -0.105 792 HA LYS 118 HA LYS 118 -1.110 -15.444 1.055 793 1HB LYS 118 2HB LYS 118 -0.442 -14.224 -1.631 794 2HB LYS 118 1HB LYS 118 -0.063 -15.875 -1.162 795 1HG LYS 118 2HG LYS 118 -2.847 -14.738 -1.288 796 2HG LYS 118 1HG LYS 118 -2.083 -15.676 -2.574 797 1HD LYS 118 2HD LYS 118 -2.495 -16.669 0.245 798 2HD LYS 118 1HD LYS 118 -3.593 -17.005 -1.094 799 1HE LYS 118 2HE LYS 118 -1.777 -18.122 -2.302 800 2HE LYS 118 1HE LYS 118 -0.673 -17.771 -0.973 801 1HZ LYS 118 1HZ LYS 118 -1.583 -20.052 -0.926 802 2HZ LYS 118 2HZ LYS 118 -3.137 -19.409 -0.707 803 3HZ LYS 118 3HZ LYS 118 -1.945 -19.163 0.473 804 H LEU 119 H LEU 119 0.350 -12.352 0.866 805 HA LEU 119 HA LEU 119 3.043 -13.474 1.207 806 1HB LEU 119 2HB LEU 119 2.126 -10.621 0.830 807 2HB LEU 119 1HB LEU 119 3.795 -11.119 1.006 808 HG LEU 119 HG LEU 119 1.970 -11.903 -1.266 809 1HD1 LEU 119 1HD1 LEU 119 2.568 -9.555 -1.343 810 2HD1 LEU 119 2HD1 LEU 119 3.414 -10.447 -2.608 811 3HD1 LEU 119 3HD1 LEU 119 4.272 -9.963 -1.145 812 1HD2 LEU 119 1HD2 LEU 119 4.909 -12.428 -0.829 813 2HD2 LEU 119 2HD2 LEU 119 3.993 -12.819 -2.285 814 3HD2 LEU 119 3HD2 LEU 119 3.619 -13.630 -0.765 815 H GLU 120 H GLU 120 0.683 -13.267 3.180 816 HA GLU 120 HA GLU 120 0.239 -12.621 5.326 817 1HB GLU 120 2HB GLU 120 1.879 -13.654 6.905 818 2HB GLU 120 1HB GLU 120 1.291 -14.722 5.642 819 1HG GLU 120 2HG GLU 120 3.420 -14.178 4.385 820 2HG GLU 120 1HG GLU 120 3.987 -13.426 5.876 Start of MODEL 4 1 H ASN 18 H ASN 18 1.771 -9.521 7.084 2 HA ASN 18 HA ASN 18 0.474 -9.114 4.572 3 1HB ASN 18 2HB ASN 18 1.381 -11.457 4.356 4 2HB ASN 18 1HB ASN 18 0.397 -11.905 5.748 5 1HD2 ASN 18 1HD2 ASN 18 -0.856 -13.354 4.558 6 2HD2 ASN 18 2HD2 ASN 18 -2.015 -12.825 3.390 7 H TRP 19 H TRP 19 -0.980 -7.844 5.364 8 HA TRP 19 HA TRP 19 -1.984 -7.695 7.919 9 1HB TRP 19 2HB TRP 19 -3.974 -6.508 6.750 10 2HB TRP 19 1HB TRP 19 -2.366 -5.808 6.639 11 HD1 TRP 19 HD1 TRP 19 -3.355 -8.737 4.361 12 HE1 TRP 19 HE1 TRP 19 -3.439 -7.895 1.937 13 HE3 TRP 19 HE3 TRP 19 -2.776 -3.722 5.211 14 HZ2 TRP 19 HZ2 TRP 19 -3.285 -5.442 0.565 15 HZ3 TRP 19 HZ3 TRP 19 -2.761 -2.201 3.285 16 HH2 TRP 19 HH2 TRP 19 -3.013 -3.042 1.006 17 H ASP 20 H ASP 20 -3.753 -8.386 8.996 18 HA ASP 20 HA ASP 20 -4.855 -10.903 8.488 19 1HB ASP 20 2HB ASP 20 -5.827 -8.618 10.214 20 2HB ASP 20 1HB ASP 20 -6.599 -10.197 10.191 21 H ASP 21 H ASP 21 -6.861 -11.562 7.750 22 HA ASP 21 HA ASP 21 -7.984 -10.421 5.508 23 1HB ASP 21 2HB ASP 21 -8.456 -12.712 6.229 24 2HB ASP 21 1HB ASP 21 -9.342 -12.114 7.618 25 H ALA 22 H ALA 22 -9.018 -10.122 8.843 26 HA ALA 22 HA ALA 22 -11.179 -8.342 8.296 27 1HB ALA 22 1HB ALA 22 -11.183 -9.896 10.183 28 2HB ALA 22 2HB ALA 22 -11.383 -8.226 10.716 29 3HB ALA 22 3HB ALA 22 -9.823 -9.030 10.896 30 H ASP 23 H ASP 23 -7.845 -8.007 9.372 31 HA ASP 23 HA ASP 23 -7.974 -5.370 10.306 32 1HB ASP 23 2HB ASP 23 -6.090 -6.814 10.847 33 2HB ASP 23 1HB ASP 23 -5.606 -6.850 9.153 34 H VAL 24 H VAL 24 -7.293 -6.653 7.079 35 HA VAL 24 HA VAL 24 -6.402 -4.428 5.738 36 HB VAL 24 HB VAL 24 -8.514 -6.289 4.621 37 1HG1 VAL 24 1HG1 VAL 24 -8.060 -4.305 3.266 38 2HG1 VAL 24 2HG1 VAL 24 -7.501 -5.773 2.466 39 3HG1 VAL 24 3HG1 VAL 24 -6.342 -4.703 3.254 40 1HG2 VAL 24 1HG2 VAL 24 -6.707 -7.609 5.564 41 2HG2 VAL 24 2HG2 VAL 24 -5.522 -6.650 4.676 42 3HG2 VAL 24 3HG2 VAL 24 -6.665 -7.670 3.802 43 H LYS 25 H LYS 25 -9.833 -5.364 6.029 44 HA LYS 25 HA LYS 25 -10.763 -2.966 4.857 45 1HB LYS 25 2HB LYS 25 -12.061 -5.103 4.948 46 2HB LYS 25 1HB LYS 25 -12.323 -4.815 6.664 47 1HG LYS 25 2HG LYS 25 -14.236 -4.125 5.274 48 2HG LYS 25 1HG LYS 25 -13.536 -2.788 6.191 49 1HD LYS 25 2HD LYS 25 -12.198 -2.221 4.128 50 2HD LYS 25 1HD LYS 25 -13.184 -3.399 3.261 51 1HE LYS 25 2HE LYS 25 -15.195 -2.139 3.810 52 2HE LYS 25 1HE LYS 25 -14.232 -0.981 4.728 53 1HZ LYS 25 1HZ LYS 25 -13.041 -0.460 2.646 54 2HZ LYS 25 2HZ LYS 25 -14.692 -0.077 2.580 55 3HZ LYS 25 3HZ LYS 25 -14.109 -1.466 1.802 56 H LYS 26 H LYS 26 -10.457 -4.023 8.230 57 HA LYS 26 HA LYS 26 -11.739 -1.894 9.467 58 1HB LYS 26 2HB LYS 26 -10.931 -3.934 10.637 59 2HB LYS 26 1HB LYS 26 -9.282 -3.341 10.483 60 1HG LYS 26 2HG LYS 26 -9.957 -1.328 11.780 61 2HG LYS 26 1HG LYS 26 -11.526 -2.087 12.044 62 1HD LYS 26 2HD LYS 26 -10.244 -2.520 13.985 63 2HD LYS 26 1HD LYS 26 -10.272 -4.028 13.071 64 1HE LYS 26 2HE LYS 26 -8.021 -2.045 12.846 65 2HE LYS 26 1HE LYS 26 -8.039 -3.309 14.072 66 1HZ LYS 26 1HZ LYS 26 -8.097 -4.972 12.355 67 2HZ LYS 26 2HZ LYS 26 -6.779 -3.936 12.070 68 3HZ LYS 26 3HZ LYS 26 -8.191 -3.787 11.149 69 H ARG 27 H ARG 27 -8.402 -2.165 8.361 70 HA ARG 27 HA ARG 27 -7.663 0.402 9.420 71 1HB ARG 27 2HB ARG 27 -5.954 -1.195 9.457 72 2HB ARG 27 1HB ARG 27 -6.266 -1.706 7.805 73 1HG ARG 27 2HG ARG 27 -5.175 0.128 6.904 74 2HG ARG 27 1HG ARG 27 -5.292 1.056 8.399 75 1HD ARG 27 2HD ARG 27 -3.019 0.043 7.753 76 2HD ARG 27 1HD ARG 27 -3.576 -0.124 9.414 77 HE ARG 27 HE ARG 27 -4.285 -2.426 8.763 78 1HH1 ARG 27 1HH1 ARG 27 -1.807 -0.775 6.929 79 2HH1 ARG 27 2HH1 ARG 27 -0.989 -2.231 6.477 80 1HH2 ARG 27 1HH2 ARG 27 -3.222 -4.339 8.212 81 2HH2 ARG 27 2HH2 ARG 27 -1.790 -4.275 7.219 82 H TRP 28 H TRP 28 -8.163 -0.930 6.142 83 HA TRP 28 HA TRP 28 -7.636 1.426 4.708 84 1HB TRP 28 2HB TRP 28 -9.196 -1.060 4.167 85 2HB TRP 28 1HB TRP 28 -9.420 0.308 3.087 86 HD1 TRP 28 HD1 TRP 28 -5.888 0.140 4.274 87 HE1 TRP 28 HE1 TRP 28 -4.397 -0.830 2.411 88 HE3 TRP 28 HE3 TRP 28 -9.527 -1.625 1.149 89 HZ2 TRP 28 HZ2 TRP 28 -4.718 -2.176 -0.052 90 HZ3 TRP 28 HZ3 TRP 28 -8.856 -2.743 -0.939 91 HH2 TRP 28 HH2 TRP 28 -6.500 -3.012 -1.524 92 H ASP 29 H ASP 29 -10.647 0.164 6.051 93 HA ASP 29 HA ASP 29 -12.342 2.167 5.017 94 1HB ASP 29 2HB ASP 29 -13.126 -0.029 5.853 95 2HB ASP 29 1HB ASP 29 -12.740 0.479 7.497 96 H ALA 30 H ALA 30 -10.698 1.816 8.130 97 HA ALA 30 HA ALA 30 -11.678 4.048 9.445 98 1HB ALA 30 1HB ALA 30 -8.870 2.962 9.604 99 2HB ALA 30 2HB ALA 30 -10.257 2.345 10.503 100 3HB ALA 30 3HB ALA 30 -9.669 3.981 10.801 101 H PHE 31 H PHE 31 -8.923 3.829 7.205 102 HA PHE 31 HA PHE 31 -8.042 6.468 7.342 103 1HB PHE 31 2HB PHE 31 -8.030 4.546 5.011 104 2HB PHE 31 1HB PHE 31 -7.215 6.102 4.989 105 HD1 PHE 31 HD1 PHE 31 -6.201 6.030 7.861 106 HD2 PHE 31 HD2 PHE 31 -6.177 3.145 4.733 107 HE1 PHE 31 HE1 PHE 31 -4.184 5.005 8.824 108 HE2 PHE 31 HE2 PHE 31 -4.163 2.115 5.693 109 HZ PHE 31 HZ PHE 31 -3.164 3.044 7.742 110 H THR 32 H THR 32 -10.744 5.087 5.581 111 HA THR 32 HA THR 32 -11.078 7.478 3.973 112 HB THR 32 HB THR 32 -12.888 5.061 4.067 113 HG1 THR 32 HG1 THR 32 -10.548 4.678 3.549 114 1HG2 THR 32 1HG2 THR 32 -13.800 7.060 2.953 115 2HG2 THR 32 2HG2 THR 32 -13.490 5.758 1.804 116 3HG2 THR 32 3HG2 THR 32 -12.376 7.121 1.915 117 H LYS 33 H LYS 33 -12.780 5.820 6.613 118 HA LYS 33 HA LYS 33 -14.930 7.754 6.560 119 1HB LYS 33 2HB LYS 33 -14.358 5.320 8.231 120 2HB LYS 33 1HB LYS 33 -15.677 6.415 8.614 121 1HG LYS 33 2HG LYS 33 -16.641 6.026 6.401 122 2HG LYS 33 1HG LYS 33 -15.323 4.913 6.033 123 1HD LYS 33 2HD LYS 33 -16.023 3.415 7.767 124 2HD LYS 33 1HD LYS 33 -17.223 4.572 8.349 125 1HE LYS 33 2HE LYS 33 -18.191 2.730 6.992 126 2HE LYS 33 1HE LYS 33 -18.511 4.334 6.339 127 1HZ LYS 33 1HZ LYS 33 -17.840 2.681 4.652 128 2HZ LYS 33 2HZ LYS 33 -16.322 2.558 5.401 129 3HZ LYS 33 3HZ LYS 33 -16.815 4.028 4.708 130 H PHE 34 H PHE 34 -12.600 6.708 9.061 131 HA PHE 34 HA PHE 34 -13.329 9.008 10.672 132 1HB PHE 34 2HB PHE 34 -12.962 6.738 11.662 133 2HB PHE 34 1HB PHE 34 -11.261 6.866 11.228 134 HD1 PHE 34 HD1 PHE 34 -13.928 8.389 13.289 135 HD2 PHE 34 HD2 PHE 34 -9.743 7.990 12.620 136 HE1 PHE 34 HE1 PHE 34 -13.479 9.511 15.438 137 HE2 PHE 34 HE2 PHE 34 -9.286 9.114 14.759 138 HZ PHE 34 HZ PHE 34 -11.155 9.874 16.173 139 H GLY 35 H GLY 35 -10.634 7.847 8.771 140 1HA GLY 35 2HA GLY 35 -9.362 9.798 7.750 141 2HA GLY 35 1HA GLY 35 -9.114 10.286 9.424 142 H ALA 36 H ALA 36 -8.822 7.642 10.458 143 HA ALA 36 HA ALA 36 -6.900 6.078 9.216 144 1HB ALA 36 1HB ALA 36 -4.870 6.704 10.430 145 2HB ALA 36 2HB ALA 36 -5.714 8.081 11.140 146 3HB ALA 36 3HB ALA 36 -5.427 8.024 9.400 147 H ALA 37 H ALA 37 -6.251 4.354 10.586 148 HA ALA 37 HA ALA 37 -7.883 4.026 12.952 149 1HB ALA 37 1HB ALA 37 -7.577 2.157 11.410 150 2HB ALA 37 2HB ALA 37 -6.952 1.769 13.014 151 3HB ALA 37 3HB ALA 37 -5.841 2.189 11.710 152 H THR 38 H THR 38 -4.504 4.350 12.080 153 HA THR 38 HA THR 38 -3.992 5.545 14.692 154 HB THR 38 HB THR 38 -1.646 4.509 14.579 155 HG1 THR 38 HG1 THR 38 -2.111 2.254 13.460 156 1HG2 THR 38 1HG2 THR 38 -3.319 3.812 16.225 157 2HG2 THR 38 2HG2 THR 38 -2.345 2.445 15.680 158 3HG2 THR 38 3HG2 THR 38 -3.983 2.664 15.063 159 H ALA 39 H ALA 39 -1.575 4.796 12.314 160 HA ALA 39 HA ALA 39 -0.278 6.078 10.944 161 1HB ALA 39 1HB ALA 39 -1.520 6.991 9.092 162 2HB ALA 39 2HB ALA 39 -3.000 6.985 10.052 163 3HB ALA 39 3HB ALA 39 -2.231 5.461 9.609 164 H THR 40 H THR 40 -0.204 7.382 13.319 165 HA THR 40 HA THR 40 -0.908 10.106 13.183 166 HB THR 40 HB THR 40 1.455 8.942 14.675 167 HG1 THR 40 HG1 THR 40 -1.248 9.180 15.587 168 1HG2 THR 40 1HG2 THR 40 1.017 10.765 16.258 169 2HG2 THR 40 2HG2 THR 40 -0.311 11.331 15.246 170 3HG2 THR 40 3HG2 THR 40 1.345 11.394 14.644 171 H GLU 41 H GLU 41 2.305 8.605 12.787 172 HA GLU 41 HA GLU 41 2.793 10.257 10.433 173 1HB GLU 41 2HB GLU 41 4.674 10.133 12.800 174 2HB GLU 41 1HB GLU 41 5.110 10.764 11.223 175 1HG GLU 41 2HG GLU 41 3.346 12.488 11.489 176 2HG GLU 41 1HG GLU 41 3.081 11.895 13.130 177 H MET 42 H MET 42 4.216 9.268 8.975 178 HA MET 42 HA MET 42 5.552 6.812 9.800 179 1HB MET 42 2HB MET 42 3.268 6.235 8.869 180 2HB MET 42 1HB MET 42 3.813 6.885 7.330 181 1HG MET 42 2HG MET 42 5.534 5.220 7.173 182 2HG MET 42 1HG MET 42 5.153 4.623 8.789 183 1HE MET 42 1HE MET 42 5.356 2.556 6.467 184 2HE MET 42 2HE MET 42 3.889 1.610 6.713 185 3HE MET 42 3HE MET 42 4.838 2.145 8.102 186 H THR 43 H THR 43 7.439 6.426 8.679 187 HA THR 43 HA THR 43 8.297 8.583 6.900 188 HB THR 43 HB THR 43 10.600 7.563 7.286 189 HG1 THR 43 HG1 THR 43 10.398 6.379 9.512 190 1HG2 THR 43 1HG2 THR 43 9.860 9.589 8.442 191 2HG2 THR 43 2HG2 THR 43 10.841 8.584 9.508 192 3HG2 THR 43 3HG2 THR 43 9.087 8.607 9.685 193 H GLY 44 H GLY 44 9.679 8.010 5.063 194 1HA GLY 44 2HA GLY 44 8.332 6.340 3.286 195 2HA GLY 44 1HA GLY 44 9.952 6.973 3.044 196 H LYS 45 H LYS 45 11.424 5.715 4.969 197 HA LYS 45 HA LYS 45 12.020 3.306 3.745 198 1HB LYS 45 2HB LYS 45 12.643 4.252 6.538 199 2HB LYS 45 1HB LYS 45 13.337 2.809 5.823 200 1HG LYS 45 2HG LYS 45 14.298 4.211 4.025 201 2HG LYS 45 1HG LYS 45 13.680 5.637 4.859 202 1HD LYS 45 2HD LYS 45 15.644 3.645 5.997 203 2HD LYS 45 1HD LYS 45 16.050 5.240 5.362 204 1HE LYS 45 2HE LYS 45 14.222 4.709 7.703 205 2HE LYS 45 1HE LYS 45 15.913 5.194 7.827 206 1HZ LYS 45 1HZ LYS 45 14.414 7.075 8.085 207 2HZ LYS 45 2HZ LYS 45 13.752 6.790 6.549 208 3HZ LYS 45 3HZ LYS 45 15.377 7.257 6.699 209 H ASN 46 H ASN 46 9.818 3.929 6.409 210 HA ASN 46 HA ASN 46 9.538 1.174 7.133 211 1HB ASN 46 2HB ASN 46 8.099 3.691 7.891 212 2HB ASN 46 1HB ASN 46 7.397 2.128 8.298 213 1HD2 ASN 46 1HD2 ASN 46 9.927 4.390 8.945 214 2HD2 ASN 46 2HD2 ASN 46 10.562 3.592 10.348 215 H PHE 47 H PHE 47 8.001 3.305 4.849 216 HA PHE 47 HA PHE 47 5.807 1.443 4.428 217 1HB PHE 47 2HB PHE 47 5.610 4.013 4.315 218 2HB PHE 47 1HB PHE 47 6.360 3.865 2.726 219 HD1 PHE 47 HD1 PHE 47 3.576 2.394 4.716 220 HD2 PHE 47 HD2 PHE 47 4.978 3.627 0.895 221 HE1 PHE 47 HE1 PHE 47 1.377 1.870 3.749 222 HE2 PHE 47 HE2 PHE 47 2.782 3.103 -0.078 223 HZ PHE 47 HZ PHE 47 0.980 2.221 1.341 224 H ASP 48 H ASP 48 8.684 2.624 2.696 225 HA ASP 48 HA ASP 48 8.434 1.005 0.411 226 1HB ASP 48 2HB ASP 48 10.848 2.097 1.856 227 2HB ASP 48 1HB ASP 48 10.990 1.135 0.396 228 H LYS 49 H LYS 49 9.229 0.312 3.660 229 HA LYS 49 HA LYS 49 10.580 -2.163 3.339 230 1HB LYS 49 2HB LYS 49 10.638 -0.766 5.385 231 2HB LYS 49 1HB LYS 49 8.939 -1.113 5.656 232 1HG LYS 49 2HG LYS 49 9.406 -3.405 6.112 233 2HG LYS 49 1HG LYS 49 11.092 -3.216 5.606 234 1HD LYS 49 2HD LYS 49 11.423 -1.584 7.425 235 2HD LYS 49 1HD LYS 49 9.762 -1.851 7.947 236 1HE LYS 49 2HE LYS 49 10.230 -4.095 8.568 237 2HE LYS 49 1HE LYS 49 11.808 -4.051 7.780 238 1HZ LYS 49 1HZ LYS 49 12.576 -2.466 9.393 239 2HZ LYS 49 2HZ LYS 49 11.945 -3.809 10.214 240 3HZ LYS 49 3HZ LYS 49 11.045 -2.375 10.113 241 H TRP 50 H TRP 50 7.231 -1.319 4.159 242 HA TRP 50 HA TRP 50 6.139 -3.898 3.972 243 1HB TRP 50 2HB TRP 50 4.806 -2.262 5.027 244 2HB TRP 50 1HB TRP 50 4.998 -1.124 3.702 245 HD1 TRP 50 HD1 TRP 50 3.049 -0.988 2.041 246 HE1 TRP 50 HE1 TRP 50 0.946 -2.386 1.558 247 HE3 TRP 50 HE3 TRP 50 3.981 -4.969 5.126 248 HZ2 TRP 50 HZ2 TRP 50 -0.170 -4.846 2.363 249 HZ3 TRP 50 HZ3 TRP 50 2.339 -6.802 5.202 250 HH2 TRP 50 HH2 TRP 50 0.308 -6.740 3.849 251 H LEU 51 H LEU 51 6.762 -1.413 1.565 252 HA LEU 51 HA LEU 51 5.274 -2.680 -0.513 253 1HB LEU 51 2HB LEU 51 7.044 -0.351 -0.255 254 2HB LEU 51 1HB LEU 51 7.056 -1.102 -1.837 255 HG LEU 51 HG LEU 51 5.455 0.755 -1.705 256 1HD1 LEU 51 1HD1 LEU 51 5.014 -1.025 -3.274 257 2HD1 LEU 51 2HD1 LEU 51 3.496 -0.452 -2.584 258 3HD1 LEU 51 3HD1 LEU 51 4.203 -1.968 -2.023 259 1HD2 LEU 51 1HD2 LEU 51 4.062 -0.952 0.354 260 2HD2 LEU 51 2HD2 LEU 51 3.423 0.527 -0.362 261 3HD2 LEU 51 3HD2 LEU 51 4.867 0.590 0.649 262 H LYS 52 H LYS 52 8.689 -2.684 0.388 263 HA LYS 52 HA LYS 52 9.517 -4.165 -1.908 264 1HB LYS 52 2HB LYS 52 11.138 -2.750 -0.890 265 2HB LYS 52 1HB LYS 52 10.871 -3.459 0.693 266 1HG LYS 52 2HG LYS 52 11.846 -5.262 -1.448 267 2HG LYS 52 1HG LYS 52 12.973 -4.059 -0.819 268 1HD LYS 52 2HD LYS 52 12.782 -4.916 1.395 269 2HD LYS 52 1HD LYS 52 11.405 -5.928 0.952 270 1HE LYS 52 2HE LYS 52 12.869 -7.239 -0.522 271 2HE LYS 52 1HE LYS 52 14.236 -6.240 -0.032 272 1HZ LYS 52 1HZ LYS 52 14.200 -7.107 2.113 273 2HZ LYS 52 2HZ LYS 52 13.909 -8.463 1.135 274 3HZ LYS 52 3HZ LYS 52 12.624 -7.722 1.960 275 H ASP 53 H ASP 53 8.986 -5.043 1.512 276 HA ASP 53 HA ASP 53 10.022 -7.674 1.074 277 1HB ASP 53 2HB ASP 53 9.790 -6.141 3.285 278 2HB ASP 53 1HB ASP 53 8.399 -7.202 3.499 279 H ALA 54 H ALA 54 6.870 -6.258 0.901 280 HA ALA 54 HA ALA 54 5.434 -8.729 0.952 281 1HB ALA 54 1HB ALA 54 4.638 -6.083 -0.253 282 2HB ALA 54 2HB ALA 54 4.325 -6.596 1.405 283 3HB ALA 54 3HB ALA 54 3.566 -7.447 0.059 284 H GLY 55 H GLY 55 7.176 -6.913 -1.448 285 1HA GLY 55 2HA GLY 55 8.061 -7.950 -3.395 286 2HA GLY 55 1HA GLY 55 6.719 -9.084 -3.367 287 H VAL 56 H VAL 56 5.969 -5.760 -2.865 288 HA VAL 56 HA VAL 56 4.570 -5.745 -5.431 289 HB VAL 56 HB VAL 56 4.367 -3.758 -3.157 290 1HG1 VAL 56 1HG1 VAL 56 3.704 -2.799 -5.282 291 2HG1 VAL 56 2HG1 VAL 56 2.281 -3.072 -4.276 292 3HG1 VAL 56 3HG1 VAL 56 2.649 -4.178 -5.600 293 1HG2 VAL 56 1HG2 VAL 56 2.238 -4.882 -2.633 294 2HG2 VAL 56 2HG2 VAL 56 3.625 -5.951 -2.426 295 3HG2 VAL 56 3HG2 VAL 56 2.598 -6.102 -3.852 296 H LEU 57 H LEU 57 6.871 -3.757 -3.581 297 HA LEU 57 HA LEU 57 7.259 -2.023 -5.905 298 1HB LEU 57 2HB LEU 57 7.042 -1.170 -3.524 299 2HB LEU 57 1HB LEU 57 8.623 -1.867 -3.223 300 HG LEU 57 HG LEU 57 9.241 -0.377 -5.350 301 1HD1 LEU 57 1HD1 LEU 57 7.007 1.135 -4.015 302 2HD1 LEU 57 2HD1 LEU 57 6.964 0.447 -5.638 303 3HD1 LEU 57 3HD1 LEU 57 8.088 1.754 -5.264 304 1HD2 LEU 57 1HD2 LEU 57 10.024 1.322 -3.772 305 2HD2 LEU 57 2HD2 LEU 57 10.357 -0.313 -3.207 306 3HD2 LEU 57 3HD2 LEU 57 9.021 0.605 -2.509 307 H ASP 58 H ASP 58 8.133 -4.831 -5.863 308 HA ASP 58 HA ASP 58 10.689 -4.421 -7.038 309 1HB ASP 58 2HB ASP 58 11.271 -4.513 -4.584 310 2HB ASP 58 1HB ASP 58 10.668 -6.168 -4.568 311 H ASN 59 H ASN 59 9.040 -5.207 -8.542 312 HA ASN 59 HA ASN 59 8.696 -8.119 -8.429 313 1HB ASN 59 2HB ASN 59 6.623 -6.889 -8.705 314 2HB ASN 59 1HB ASN 59 7.278 -6.027 -10.092 315 1HD2 ASN 59 1HD2 ASN 59 6.168 -9.133 -8.916 316 2HD2 ASN 59 2HD2 ASN 59 5.847 -9.815 -10.473 317 H LYS 60 H LYS 60 9.112 -5.771 -11.076 318 HA LYS 60 HA LYS 60 11.628 -6.557 -11.931 319 1HB LYS 60 2HB LYS 60 11.181 -7.981 -13.858 320 2HB LYS 60 1HB LYS 60 10.595 -8.744 -12.396 321 1HG LYS 60 2HG LYS 60 8.309 -7.939 -12.976 322 2HG LYS 60 1HG LYS 60 8.963 -7.407 -14.525 323 1HD LYS 60 2HD LYS 60 9.623 -9.684 -15.054 324 2HD LYS 60 1HD LYS 60 9.047 -10.234 -13.478 325 1HE LYS 60 2HE LYS 60 6.775 -9.469 -14.086 326 2HE LYS 60 1HE LYS 60 7.377 -9.040 -15.686 327 1HZ LYS 60 1HZ LYS 60 7.959 -11.359 -16.049 328 2HZ LYS 60 2HZ LYS 60 6.308 -11.201 -15.693 329 3HZ LYS 60 3HZ LYS 60 7.379 -11.768 -14.507 330 H ALA 61 H ALA 61 8.434 -5.852 -13.216 331 HA ALA 61 HA ALA 61 9.399 -3.991 -15.178 332 1HB ALA 61 1HB ALA 61 6.598 -4.527 -14.195 333 2HB ALA 61 2HB ALA 61 7.378 -5.273 -15.591 334 3HB ALA 61 3HB ALA 61 7.018 -3.546 -15.598 335 H ILE 62 H ILE 62 8.723 -3.815 -11.871 336 HA ILE 62 HA ILE 62 7.690 -1.264 -11.502 337 HB ILE 62 HB ILE 62 9.667 -2.729 -9.746 338 1HG1 ILE 62 2HG1 ILE 62 7.677 -4.063 -10.162 339 2HG1 ILE 62 1HG1 ILE 62 7.669 -3.471 -8.504 340 1HG2 ILE 62 1HG2 ILE 62 7.787 -0.464 -9.088 341 2HG2 ILE 62 2HG2 ILE 62 9.548 -0.379 -9.152 342 3HG2 ILE 62 3HG2 ILE 62 8.756 -1.361 -7.921 343 1HD1 ILE 62 1HD1 ILE 62 6.057 -1.760 -9.101 344 2HD1 ILE 62 2HD1 ILE 62 5.461 -3.360 -9.545 345 3HD1 ILE 62 3HD1 ILE 62 6.103 -2.284 -10.784 346 H THR 63 H THR 63 8.459 0.580 -12.245 347 HA THR 63 HA THR 63 11.213 0.880 -13.019 348 HB THR 63 HB THR 63 10.499 3.192 -13.669 349 HG1 THR 63 HG1 THR 63 7.803 2.486 -13.321 350 1HG2 THR 63 1HG2 THR 63 8.771 0.952 -14.719 351 2HG2 THR 63 2HG2 THR 63 10.397 1.353 -15.274 352 3HG2 THR 63 3HG2 THR 63 9.073 2.491 -15.526 353 H GLY 64 H GLY 64 12.177 3.170 -12.464 354 1HA GLY 64 2HA GLY 64 11.835 3.668 -9.569 355 2HA GLY 64 1HA GLY 64 13.294 4.038 -10.486 356 H THR 65 H THR 65 11.109 4.777 -12.608 357 HA THR 65 HA THR 65 11.223 7.601 -12.089 358 HB THR 65 HB THR 65 9.830 6.140 -14.343 359 HG1 THR 65 HG1 THR 65 11.752 5.887 -15.220 360 1HG2 THR 65 1HG2 THR 65 9.166 8.492 -14.073 361 2HG2 THR 65 2HG2 THR 65 10.094 8.247 -15.552 362 3HG2 THR 65 3HG2 THR 65 10.863 8.973 -14.141 363 H MET 66 H MET 66 8.553 5.327 -12.796 364 HA MET 66 HA MET 66 6.485 7.098 -12.126 365 1HB MET 66 2HB MET 66 6.609 4.089 -12.241 366 2HB MET 66 1HB MET 66 5.130 4.944 -11.836 367 1HG MET 66 2HG MET 66 5.150 4.317 -14.172 368 2HG MET 66 1HG MET 66 5.175 6.069 -13.998 369 1HE MET 66 1HE MET 66 5.870 4.446 -16.693 370 2HE MET 66 2HE MET 66 7.257 5.366 -17.274 371 3HE MET 66 3HE MET 66 5.865 6.212 -16.600 372 H THR 67 H THR 67 8.105 4.593 -10.217 373 HA THR 67 HA THR 67 6.578 4.928 -7.876 374 HB THR 67 HB THR 67 8.440 3.777 -6.724 375 HG1 THR 67 HG1 THR 67 10.355 3.991 -7.565 376 1HG2 THR 67 1HG2 THR 67 6.768 2.447 -7.878 377 2HG2 THR 67 2HG2 THR 67 8.353 1.693 -8.052 378 3HG2 THR 67 3HG2 THR 67 7.656 2.602 -9.394 379 H GLY 68 H GLY 68 9.561 6.454 -9.020 380 1HA GLY 68 2HA GLY 68 10.179 7.923 -6.709 381 2HA GLY 68 1HA GLY 68 10.645 8.358 -8.349 382 H ILE 69 H ILE 69 8.175 8.768 -9.516 383 HA ILE 69 HA ILE 69 7.463 11.354 -8.656 384 HB ILE 69 HB ILE 69 5.883 9.431 -10.376 385 1HG1 ILE 69 2HG1 ILE 69 7.740 11.684 -11.180 386 2HG1 ILE 69 1HG1 ILE 69 8.173 9.976 -11.200 387 1HG2 ILE 69 1HG2 ILE 69 5.635 12.425 -10.096 388 2HG2 ILE 69 2HG2 ILE 69 4.495 11.236 -9.465 389 3HG2 ILE 69 3HG2 ILE 69 4.719 11.405 -11.206 390 1HD1 ILE 69 1HD1 ILE 69 6.465 9.550 -12.869 391 2HD1 ILE 69 2HD1 ILE 69 7.581 10.802 -13.416 392 3HD1 ILE 69 3HD1 ILE 69 5.980 11.244 -12.823 393 H ALA 70 H ALA 70 5.831 8.216 -8.277 394 HA ALA 70 HA ALA 70 3.632 9.027 -6.776 395 1HB ALA 70 1HB ALA 70 3.887 6.766 -7.691 396 2HB ALA 70 2HB ALA 70 3.535 6.723 -5.964 397 3HB ALA 70 3HB ALA 70 5.180 6.443 -6.534 398 H PHE 71 H PHE 71 6.828 7.985 -5.701 399 HA PHE 71 HA PHE 71 6.478 8.152 -2.950 400 1HB PHE 71 2HB PHE 71 8.409 7.137 -4.159 401 2HB PHE 71 1HB PHE 71 8.995 8.756 -4.513 402 HD1 PHE 71 HD1 PHE 71 8.010 6.619 -1.631 403 HD2 PHE 71 HD2 PHE 71 10.535 9.709 -3.101 404 HE1 PHE 71 HE1 PHE 71 9.252 6.606 0.491 405 HE2 PHE 71 HE2 PHE 71 11.783 9.703 -0.982 406 HZ PHE 71 HZ PHE 71 11.142 8.150 0.816 407 H SER 72 H SER 72 7.484 10.649 -5.250 408 HA SER 72 HA SER 72 8.029 12.640 -3.318 409 1HB SER 72 2HB SER 72 7.260 13.000 -6.219 410 2HB SER 72 1HB SER 72 8.118 14.157 -5.206 411 HG SER 72 HG SER 72 9.041 11.586 -6.009 412 H LYS 73 H LYS 73 5.113 11.685 -5.024 413 HA LYS 73 HA LYS 73 3.541 13.926 -4.217 414 1HB LYS 73 2HB LYS 73 2.858 11.198 -5.304 415 2HB LYS 73 1HB LYS 73 1.624 12.363 -4.860 416 1HG LYS 73 2HG LYS 73 3.790 12.867 -6.884 417 2HG LYS 73 1HG LYS 73 2.149 12.349 -7.274 418 1HD LYS 73 2HD LYS 73 1.269 14.376 -6.209 419 2HD LYS 73 1HD LYS 73 2.914 14.892 -5.841 420 1HE LYS 73 2HE LYS 73 3.431 15.029 -8.204 421 2HE LYS 73 1HE LYS 73 1.829 14.419 -8.614 422 1HZ LYS 73 1HZ LYS 73 2.339 16.950 -7.144 423 2HZ LYS 73 2HZ LYS 73 0.836 16.380 -7.679 424 3HZ LYS 73 3HZ LYS 73 2.014 16.853 -8.806 425 H VAL 74 H VAL 74 4.499 10.970 -2.778 426 HA VAL 74 HA VAL 74 2.371 10.961 -0.804 427 HB VAL 74 HB VAL 74 4.673 9.079 -1.353 428 1HG1 VAL 74 1HG1 VAL 74 3.628 7.568 0.289 429 2HG1 VAL 74 2HG1 VAL 74 2.525 8.864 0.749 430 3HG1 VAL 74 3HG1 VAL 74 4.257 9.041 1.028 431 1HG2 VAL 74 1HG2 VAL 74 1.690 8.809 -1.693 432 2HG2 VAL 74 2HG2 VAL 74 2.886 7.561 -2.043 433 3HG2 VAL 74 3HG2 VAL 74 2.866 9.053 -2.983 434 H THR 75 H THR 75 5.968 10.844 -0.621 435 HA THR 75 HA THR 75 5.696 12.095 2.032 436 HB THR 75 HB THR 75 7.966 11.051 2.490 437 HG1 THR 75 HG1 THR 75 7.376 9.168 0.499 438 1HG2 THR 75 1HG2 THR 75 5.869 10.176 3.415 439 2HG2 THR 75 2HG2 THR 75 6.992 8.871 3.034 440 3HG2 THR 75 3HG2 THR 75 5.631 9.207 1.962 441 H GLY 76 H GLY 76 5.930 13.430 -0.586 442 1HA GLY 76 2HA GLY 76 8.495 14.662 -0.701 443 2HA GLY 76 1HA GLY 76 7.030 15.246 -1.473 444 HA PRO 77 HA PRO 77 6.629 18.298 1.700 445 1HB PRO 77 2HB PRO 77 4.054 18.365 2.421 446 2HB PRO 77 1HB PRO 77 4.566 18.767 0.777 447 1HG PRO 77 2HG PRO 77 3.370 16.232 1.822 448 2HG PRO 77 1HG PRO 77 3.033 17.088 0.307 449 1HD PRO 77 2HD PRO 77 4.696 14.902 0.528 450 2HD PRO 77 1HD PRO 77 4.792 16.107 -0.770 451 H LYS 78 H LYS 78 6.121 18.882 3.907 452 HA LYS 78 HA LYS 78 6.928 16.980 5.820 453 1HB LYS 78 2HB LYS 78 6.372 18.710 7.490 454 2HB LYS 78 1HB LYS 78 7.338 19.336 6.162 455 1HG LYS 78 2HG LYS 78 5.358 20.329 5.163 456 2HG LYS 78 1HG LYS 78 4.356 19.655 6.451 457 1HD LYS 78 2HD LYS 78 4.833 21.985 6.914 458 2HD LYS 78 1HD LYS 78 5.640 20.960 8.100 459 1HE LYS 78 2HE LYS 78 7.717 21.137 6.705 460 2HE LYS 78 1HE LYS 78 6.878 22.337 5.723 461 1HZ LYS 78 1HZ LYS 78 7.455 22.548 8.630 462 2HZ LYS 78 2HZ LYS 78 6.598 23.693 7.718 463 3HZ LYS 78 3HZ LYS 78 8.233 23.403 7.390 464 H LYS 79 H LYS 79 3.936 17.454 4.398 465 HA LYS 79 HA LYS 79 1.994 16.927 6.247 466 1HB LYS 79 2HB LYS 79 1.686 17.302 3.797 467 2HB LYS 79 1HB LYS 79 2.199 15.646 3.518 468 1HG LYS 79 2HG LYS 79 0.275 14.906 4.939 469 2HG LYS 79 1HG LYS 79 -0.277 16.585 4.935 470 1HD LYS 79 2HD LYS 79 -0.356 16.540 2.486 471 2HD LYS 79 1HD LYS 79 0.171 14.857 2.504 472 1HE LYS 79 2HE LYS 79 -1.868 14.346 3.887 473 2HE LYS 79 1HE LYS 79 -2.415 15.990 3.549 474 1HZ LYS 79 1HZ LYS 79 -3.383 14.479 1.972 475 2HZ LYS 79 2HZ LYS 79 -1.863 13.857 1.556 476 3HZ LYS 79 3HZ LYS 79 -2.264 15.460 1.161 477 H LYS 80 H LYS 80 4.321 14.670 4.890 478 HA LYS 80 HA LYS 80 5.119 12.686 5.652 479 1HB LYS 80 2HB LYS 80 3.070 12.906 7.866 480 2HB LYS 80 1HB LYS 80 4.346 11.701 7.775 481 1HG LYS 80 2HG LYS 80 4.816 14.672 7.942 482 2HG LYS 80 1HG LYS 80 4.842 13.571 9.319 483 1HD LYS 80 2HD LYS 80 6.575 13.025 6.943 484 2HD LYS 80 1HD LYS 80 7.070 14.230 8.132 485 1HE LYS 80 2HE LYS 80 6.299 11.409 8.861 486 2HE LYS 80 1HE LYS 80 7.955 11.895 8.492 487 1HZ LYS 80 1HZ LYS 80 6.286 13.102 10.643 488 2HZ LYS 80 2HZ LYS 80 7.918 13.427 10.323 489 3HZ LYS 80 3HZ LYS 80 7.458 11.899 10.890 490 H ALA 81 H ALA 81 4.194 10.341 6.174 491 HA ALA 81 HA ALA 81 2.482 9.848 3.895 492 1HB ALA 81 1HB ALA 81 3.272 7.553 4.014 493 2HB ALA 81 2HB ALA 81 4.119 7.908 5.521 494 3HB ALA 81 3HB ALA 81 4.631 8.677 4.019 495 H THR 82 H THR 82 0.604 10.551 4.989 496 HA THR 82 HA THR 82 -0.435 8.643 6.953 497 HB THR 82 HB THR 82 -2.311 10.269 7.255 498 HG1 THR 82 HG1 THR 82 -1.178 11.410 5.063 499 1HG2 THR 82 1HG2 THR 82 0.474 11.350 7.654 500 2HG2 THR 82 2HG2 THR 82 -0.380 10.258 8.745 501 3HG2 THR 82 3HG2 THR 82 -0.973 11.901 8.498 502 H PHE 83 H PHE 83 -3.253 9.246 6.251 503 HA PHE 83 HA PHE 83 -3.697 6.885 4.848 504 1HB PHE 83 2HB PHE 83 -6.055 7.501 4.845 505 2HB PHE 83 1HB PHE 83 -5.327 7.851 6.406 506 HD1 PHE 83 HD1 PHE 83 -7.279 9.105 3.736 507 HD2 PHE 83 HD2 PHE 83 -4.589 10.308 6.807 508 HE1 PHE 83 HE1 PHE 83 -8.141 11.401 3.583 509 HE2 PHE 83 HE2 PHE 83 -5.449 12.609 6.662 510 HZ PHE 83 HZ PHE 83 -7.226 13.159 5.049 511 H ASP 84 H ASP 84 -3.881 10.232 3.675 512 HA ASP 84 HA ASP 84 -4.930 9.597 1.130 513 1HB ASP 84 2HB ASP 84 -5.070 11.855 2.087 514 2HB ASP 84 1HB ASP 84 -3.318 12.002 2.018 515 H GLU 85 H GLU 85 -1.708 9.956 2.391 516 HA GLU 85 HA GLU 85 -0.268 9.764 -0.028 517 1HB GLU 85 2HB GLU 85 0.473 9.169 2.838 518 2HB GLU 85 1HB GLU 85 1.625 9.112 1.512 519 1HG GLU 85 2HG GLU 85 1.719 11.224 2.759 520 2HG GLU 85 1HG GLU 85 1.305 11.453 1.062 521 H THR 86 H THR 86 -1.159 7.342 2.416 522 HA THR 86 HA THR 86 0.032 5.108 1.221 523 HB THR 86 HB THR 86 -2.531 5.141 2.836 524 HG1 THR 86 HG1 THR 86 -0.710 6.176 3.881 525 1HG2 THR 86 1HG2 THR 86 -2.065 3.000 1.701 526 2HG2 THR 86 2HG2 THR 86 -1.918 2.860 3.453 527 3HG2 THR 86 3HG2 THR 86 -0.470 2.960 2.451 528 H LYS 87 H LYS 87 -3.161 6.535 0.793 529 HA LYS 87 HA LYS 87 -4.265 4.693 -1.001 530 1HB LYS 87 2HB LYS 87 -5.554 6.453 0.113 531 2HB LYS 87 1HB LYS 87 -4.676 7.683 -0.779 532 1HG LYS 87 2HG LYS 87 -6.879 7.369 -1.711 533 2HG LYS 87 1HG LYS 87 -5.652 6.853 -2.867 534 1HD LYS 87 2HD LYS 87 -6.119 4.586 -2.526 535 2HD LYS 87 1HD LYS 87 -6.982 4.901 -1.017 536 1HE LYS 87 2HE LYS 87 -8.503 4.343 -2.867 537 2HE LYS 87 1HE LYS 87 -8.786 5.960 -2.229 538 1HZ LYS 87 1HZ LYS 87 -7.333 5.283 -4.729 539 2HZ LYS 87 2HZ LYS 87 -7.471 6.846 -4.095 540 3HZ LYS 87 3HZ LYS 87 -8.853 6.015 -4.607 541 H LYS 88 H LYS 88 -2.283 7.566 -1.547 542 HA LYS 88 HA LYS 88 -2.334 7.524 -4.354 543 1HB LYS 88 2HB LYS 88 -0.417 8.691 -2.354 544 2HB LYS 88 1HB LYS 88 -0.196 8.888 -4.084 545 1HG LYS 88 2HG LYS 88 -2.275 10.064 -4.279 546 2HG LYS 88 1HG LYS 88 -2.674 9.717 -2.596 547 1HD LYS 88 2HD LYS 88 -0.756 11.053 -1.869 548 2HD LYS 88 1HD LYS 88 -0.369 11.410 -3.554 549 1HE LYS 88 2HE LYS 88 -2.405 12.620 -3.840 550 2HE LYS 88 1HE LYS 88 -3.009 12.079 -2.274 551 1HZ LYS 88 1HZ LYS 88 -0.704 13.900 -2.728 552 2HZ LYS 88 2HZ LYS 88 -1.226 13.335 -1.216 553 3HZ LYS 88 3HZ LYS 88 -2.235 14.334 -2.136 554 H VAL 89 H VAL 89 -0.039 6.084 -2.036 555 HA VAL 89 HA VAL 89 1.875 5.275 -3.914 556 HB VAL 89 HB VAL 89 1.203 3.714 -1.422 557 1HG1 VAL 89 1HG1 VAL 89 2.758 2.626 -2.965 558 2HG1 VAL 89 2HG1 VAL 89 3.568 3.112 -1.475 559 3HG1 VAL 89 3HG1 VAL 89 3.784 4.061 -2.945 560 1HG2 VAL 89 1HG2 VAL 89 1.458 6.057 -0.827 561 2HG2 VAL 89 2HG2 VAL 89 2.994 6.121 -1.691 562 3HG2 VAL 89 3HG2 VAL 89 2.831 5.113 -0.254 563 H LEU 90 H LEU 90 -0.721 3.302 -2.457 564 HA LEU 90 HA LEU 90 -0.264 1.011 -3.981 565 1HB LEU 90 2HB LEU 90 -2.480 2.046 -2.333 566 2HB LEU 90 1HB LEU 90 -2.940 0.855 -3.533 567 HG LEU 90 HG LEU 90 -2.508 -0.184 -1.365 568 1HD1 LEU 90 1HD1 LEU 90 -2.080 -1.471 -3.386 569 2HD1 LEU 90 2HD1 LEU 90 -0.964 -1.915 -2.095 570 3HD1 LEU 90 3HD1 LEU 90 -0.416 -0.883 -3.416 571 1HD2 LEU 90 1HD2 LEU 90 0.301 0.859 -1.688 572 2HD2 LEU 90 2HD2 LEU 90 -0.245 -0.268 -0.446 573 3HD2 LEU 90 3HD2 LEU 90 -0.876 1.379 -0.480 574 H ALA 91 H ALA 91 -2.104 3.899 -4.730 575 HA ALA 91 HA ALA 91 -3.393 2.821 -7.034 576 1HB ALA 91 1HB ALA 91 -2.910 5.697 -6.265 577 2HB ALA 91 2HB ALA 91 -4.311 4.725 -5.813 578 3HB ALA 91 3HB ALA 91 -4.027 5.130 -7.506 579 H PHE 92 H PHE 92 -0.573 4.971 -6.592 580 HA PHE 92 HA PHE 92 -0.137 5.236 -9.398 581 1HB PHE 92 2HB PHE 92 1.631 5.932 -7.053 582 2HB PHE 92 1HB PHE 92 2.012 6.320 -8.727 583 HD1 PHE 92 HD1 PHE 92 1.530 8.137 -6.217 584 HD2 PHE 92 HD2 PHE 92 -0.845 7.013 -9.565 585 HE1 PHE 92 HE1 PHE 92 0.256 10.231 -6.012 586 HE2 PHE 92 HE2 PHE 92 -2.119 9.107 -9.369 587 HZ PHE 92 HZ PHE 92 -1.569 10.719 -7.591 588 H VAL 93 H VAL 93 1.334 3.226 -6.881 589 HA VAL 93 HA VAL 93 3.368 2.132 -8.509 590 HB VAL 93 HB VAL 93 2.009 0.917 -6.090 591 1HG1 VAL 93 1HG1 VAL 93 4.592 0.141 -7.443 592 2HG1 VAL 93 2HG1 VAL 93 3.097 -0.793 -7.481 593 3HG1 VAL 93 3HG1 VAL 93 3.949 -0.554 -5.955 594 1HG2 VAL 93 1HG2 VAL 93 3.148 3.017 -5.599 595 2HG2 VAL 93 2HG2 VAL 93 4.605 2.427 -6.398 596 3HG2 VAL 93 3HG2 VAL 93 4.043 1.660 -4.914 597 H ALA 94 H ALA 94 0.066 1.024 -7.788 598 HA ALA 94 HA ALA 94 0.114 -1.246 -9.447 599 1HB ALA 94 1HB ALA 94 -1.635 -0.850 -7.780 600 2HB ALA 94 2HB ALA 94 -2.319 -1.142 -9.380 601 3HB ALA 94 3HB ALA 94 -2.243 0.500 -8.739 602 H GLU 95 H GLU 95 -0.697 2.130 -10.080 603 HA GLU 95 HA GLU 95 -1.735 2.046 -12.612 604 1HB GLU 95 2HB GLU 95 -1.136 4.005 -10.928 605 2HB GLU 95 1HB GLU 95 0.266 4.166 -11.973 606 1HG GLU 95 2HG GLU 95 -2.474 4.095 -13.152 607 2HG GLU 95 1HG GLU 95 -1.867 5.572 -12.411 608 H ASP 96 H ASP 96 1.724 2.133 -11.751 609 HA ASP 96 HA ASP 96 2.891 2.249 -14.249 610 1HB ASP 96 2HB ASP 96 4.162 2.286 -12.130 611 2HB ASP 96 1HB ASP 96 3.818 0.579 -11.893 612 H ARG 97 H ARG 97 2.085 -0.729 -12.476 613 HA ARG 97 HA ARG 97 2.628 -2.432 -14.683 614 1HB ARG 97 2HB ARG 97 2.805 -3.383 -12.505 615 2HB ARG 97 1HB ARG 97 1.175 -2.878 -12.077 616 1HG ARG 97 2HG ARG 97 0.265 -4.438 -13.734 617 2HG ARG 97 1HG ARG 97 1.901 -4.957 -14.132 618 1HD ARG 97 2HD ARG 97 2.220 -5.866 -11.948 619 2HD ARG 97 1HD ARG 97 0.714 -5.151 -11.374 620 HE ARG 97 HE ARG 97 -0.435 -6.685 -12.970 621 1HH1 ARG 97 1HH1 ARG 97 2.760 -7.477 -11.753 622 2HH1 ARG 97 2HH1 ARG 97 2.568 -9.187 -11.982 623 1HH2 ARG 97 1HH2 ARG 97 -0.680 -8.909 -13.297 624 2HH2 ARG 97 2HH2 ARG 97 0.602 -10.006 -12.885 625 H ALA 98 H ALA 98 -0.346 -1.113 -13.299 626 HA ALA 98 HA ALA 98 -2.157 -2.714 -14.705 627 1HB ALA 98 1HB ALA 98 -2.693 -1.383 -12.704 628 2HB ALA 98 2HB ALA 98 -3.843 -1.143 -14.020 629 3HB ALA 98 3HB ALA 98 -2.617 0.082 -13.685 630 H ARG 99 H ARG 99 -0.857 0.493 -15.507 631 HA ARG 99 HA ARG 99 -2.528 1.002 -17.705 632 1HB ARG 99 2HB ARG 99 -0.989 2.630 -16.507 633 2HB ARG 99 1HB ARG 99 0.328 1.943 -17.446 634 1HG ARG 99 2HG ARG 99 -1.113 2.508 -19.493 635 2HG ARG 99 1HG ARG 99 -2.014 3.546 -18.387 636 1HD ARG 99 2HD ARG 99 0.921 3.692 -19.046 637 2HD ARG 99 1HD ARG 99 -0.325 4.849 -19.500 638 HE ARG 99 HE ARG 99 -0.210 4.589 -16.670 639 1HH1 ARG 99 1HH1 ARG 99 1.434 6.050 -19.417 640 2HH1 ARG 99 2HH1 ARG 99 2.272 7.229 -18.446 641 1HH2 ARG 99 1HH2 ARG 99 0.868 6.172 -15.409 642 2HH2 ARG 99 2HH2 ARG 99 1.932 7.310 -16.192 643 H GLN 100 H GLN 100 0.458 -0.801 -17.419 644 HA GLN 100 HA GLN 100 0.733 -1.012 -20.308 645 1HB GLN 100 2HB GLN 100 2.489 -2.065 -18.085 646 2HB GLN 100 1HB GLN 100 2.872 -2.106 -19.802 647 1HG GLN 100 2HG GLN 100 2.927 0.303 -19.887 648 2HG GLN 100 1HG GLN 100 2.432 0.401 -18.196 649 1HE2 GLN 100 1HE2 GLN 100 3.906 -0.124 -16.581 650 2HE2 GLN 100 2HE2 GLN 100 5.613 -0.223 -16.890 651 H SER 101 H SER 101 -0.780 -2.726 -17.845 652 HA SER 101 HA SER 101 -0.511 -5.284 -19.259 653 1HB SER 101 2HB SER 101 -1.808 -4.733 -16.577 654 2HB SER 101 1HB SER 101 -1.461 -6.317 -17.272 655 HG SER 101 HG SER 101 0.414 -4.337 -16.465 656 H LYS 102 H LYS 102 -3.135 -3.556 -17.591 657 HA LYS 102 HA LYS 102 -5.005 -4.487 -19.658 658 1HB LYS 102 2HB LYS 102 -5.587 -3.176 -16.992 659 2HB LYS 102 1HB LYS 102 -6.765 -3.889 -18.081 660 1HG LYS 102 2HG LYS 102 -4.558 -5.527 -16.895 661 2HG LYS 102 1HG LYS 102 -6.050 -5.215 -16.008 662 1HD LYS 102 2HD LYS 102 -7.305 -6.139 -17.969 663 2HD LYS 102 1HD LYS 102 -5.750 -6.608 -18.664 664 1HE LYS 102 2HE LYS 102 -6.922 -8.430 -17.412 665 2HE LYS 102 1HE LYS 102 -5.290 -8.074 -16.845 666 1HZ LYS 102 1HZ LYS 102 -7.016 -8.358 -15.063 667 2HZ LYS 102 2HZ LYS 102 -7.718 -6.907 -15.595 668 3HZ LYS 102 3HZ LYS 102 -6.134 -6.917 -14.990 669 H LYS 103 H LYS 103 -4.991 -1.710 -17.554 670 HA LYS 103 HA LYS 103 -4.226 0.403 -19.000 671 1HB LYS 103 2HB LYS 103 -5.875 -0.262 -20.757 672 2HB LYS 103 1HB LYS 103 -7.167 -0.027 -19.584 673 1HG LYS 103 2HG LYS 103 -6.627 2.319 -19.404 674 2HG LYS 103 1HG LYS 103 -5.252 2.109 -20.494 675 1HD LYS 103 2HD LYS 103 -6.813 1.398 -22.268 676 2HD LYS 103 1HD LYS 103 -8.164 1.706 -21.176 677 1HE LYS 103 2HE LYS 103 -7.596 4.048 -21.064 678 2HE LYS 103 1HE LYS 103 -6.145 3.775 -22.028 679 1HZ LYS 103 1HZ LYS 103 -7.888 4.669 -23.396 680 2HZ LYS 103 2HZ LYS 103 -8.950 3.433 -22.935 681 3HZ LYS 103 3HZ LYS 103 -7.581 3.068 -23.865 682 HA PRO 104 HA PRO 104 -7.228 1.795 -15.516 683 1HB PRO 104 2HB PRO 104 -8.858 -0.447 -14.681 684 2HB PRO 104 1HB PRO 104 -9.375 1.109 -15.328 685 1HG PRO 104 2HG PRO 104 -9.677 -1.243 -16.670 686 2HG PRO 104 1HG PRO 104 -9.492 0.327 -17.474 687 1HD PRO 104 2HD PRO 104 -7.441 -1.801 -16.980 688 2HD PRO 104 1HD PRO 104 -7.723 -0.829 -18.440 689 H ILE 105 H ILE 105 -6.838 1.737 -13.282 690 HA ILE 105 HA ILE 105 -4.671 0.026 -12.559 691 HB ILE 105 HB ILE 105 -4.652 1.299 -10.433 692 1HG1 ILE 105 2HG1 ILE 105 -6.072 3.550 -10.779 693 2HG1 ILE 105 1HG1 ILE 105 -7.162 2.410 -11.558 694 1HG2 ILE 105 1HG2 ILE 105 -3.314 1.988 -12.314 695 2HG2 ILE 105 2HG2 ILE 105 -3.917 3.405 -11.452 696 3HG2 ILE 105 3HG2 ILE 105 -4.668 2.909 -12.967 697 1HD1 ILE 105 1HD1 ILE 105 -6.137 2.210 -8.736 698 2HD1 ILE 105 2HD1 ILE 105 -7.253 1.087 -9.513 699 3HD1 ILE 105 3HD1 ILE 105 -7.741 2.758 -9.220 700 H GLN 106 H GLN 106 -8.061 0.297 -11.709 701 HA GLN 106 HA GLN 106 -8.146 -1.139 -9.348 702 1HB GLN 106 2HB GLN 106 -9.995 0.014 -11.008 703 2HB GLN 106 1HB GLN 106 -10.380 -1.693 -11.171 704 1HG GLN 106 2HG GLN 106 -10.245 -0.143 -8.595 705 2HG GLN 106 1HG GLN 106 -11.711 -0.653 -9.430 706 1HE2 GLN 106 1HE2 GLN 106 -9.023 -1.651 -7.488 707 2HE2 GLN 106 2HE2 GLN 106 -9.624 -3.222 -7.093 708 H ASP 107 H ASP 107 -8.200 -2.373 -12.671 709 HA ASP 107 HA ASP 107 -8.742 -5.035 -12.282 710 1HB ASP 107 2HB ASP 107 -7.059 -3.551 -14.236 711 2HB ASP 107 1HB ASP 107 -6.889 -5.301 -14.183 712 H GLU 108 H GLU 108 -5.504 -3.575 -12.254 713 HA GLU 108 HA GLU 108 -4.318 -6.049 -11.434 714 1HB GLU 108 2HB GLU 108 -3.122 -3.293 -11.717 715 2HB GLU 108 1HB GLU 108 -2.207 -4.762 -11.391 716 1HG GLU 108 2HG GLU 108 -3.809 -4.129 -13.859 717 2HG GLU 108 1HG GLU 108 -2.055 -4.254 -13.724 718 H LEU 109 H LEU 109 -5.348 -3.098 -9.836 719 HA LEU 109 HA LEU 109 -3.971 -3.540 -7.400 720 1HB LEU 109 2HB LEU 109 -4.971 -1.373 -7.920 721 2HB LEU 109 1HB LEU 109 -6.573 -2.090 -7.898 722 HG LEU 109 HG LEU 109 -6.117 -2.711 -5.472 723 1HD1 LEU 109 1HD1 LEU 109 -4.448 -1.334 -4.310 724 2HD1 LEU 109 2HD1 LEU 109 -3.866 -0.755 -5.872 725 3HD1 LEU 109 3HD1 LEU 109 -3.725 -2.463 -5.457 726 1HD2 LEU 109 1HD2 LEU 109 -6.698 -0.482 -4.647 727 2HD2 LEU 109 2HD2 LEU 109 -7.629 -0.919 -6.080 728 3HD2 LEU 109 3HD2 LEU 109 -6.275 0.204 -6.214 729 H ASP 110 H ASP 110 -7.129 -4.523 -8.624 730 HA ASP 110 HA ASP 110 -8.082 -5.717 -6.248 731 1HB ASP 110 2HB ASP 110 -9.436 -5.138 -8.311 732 2HB ASP 110 1HB ASP 110 -8.751 -6.572 -9.069 733 H ALA 111 H ALA 111 -6.239 -6.955 -8.998 734 HA ALA 111 HA ALA 111 -6.004 -9.618 -8.171 735 1HB ALA 111 1HB ALA 111 -5.317 -8.870 -10.396 736 2HB ALA 111 2HB ALA 111 -4.008 -9.721 -9.576 737 3HB ALA 111 3HB ALA 111 -3.981 -7.961 -9.685 738 H ILE 112 H ILE 112 -3.932 -6.815 -7.469 739 HA ILE 112 HA ILE 112 -2.077 -8.040 -5.779 740 HB ILE 112 HB ILE 112 -3.181 -5.224 -5.702 741 1HG1 ILE 112 2HG1 ILE 112 -0.582 -6.265 -6.837 742 2HG1 ILE 112 1HG1 ILE 112 -2.023 -5.928 -7.794 743 1HG2 ILE 112 1HG2 ILE 112 -1.197 -4.611 -4.411 744 2HG2 ILE 112 2HG2 ILE 112 -0.720 -6.306 -4.336 745 3HG2 ILE 112 3HG2 ILE 112 -2.201 -5.771 -3.542 746 1HD1 ILE 112 1HD1 ILE 112 -0.457 -3.913 -6.188 747 2HD1 ILE 112 2HD1 ILE 112 -1.895 -3.576 -7.152 748 3HD1 ILE 112 3HD1 ILE 112 -0.413 -4.112 -7.940 749 H THR 113 H THR 113 -5.133 -6.449 -5.004 750 HA THR 113 HA THR 113 -5.067 -6.748 -2.230 751 HB THR 113 HB THR 113 -7.561 -6.720 -3.949 752 HG1 THR 113 HG1 THR 113 -6.191 -4.971 -4.528 753 1HG2 THR 113 1HG2 THR 113 -8.546 -5.549 -2.032 754 2HG2 THR 113 2HG2 THR 113 -7.028 -5.718 -1.150 755 3HG2 THR 113 3HG2 THR 113 -7.966 -7.150 -1.577 756 H GLU 114 H GLU 114 -6.542 -8.853 -4.724 757 HA GLU 114 HA GLU 114 -7.481 -10.795 -2.892 758 1HB GLU 114 2HB GLU 114 -8.393 -10.669 -5.147 759 2HB GLU 114 1HB GLU 114 -6.822 -11.077 -5.831 760 1HG GLU 114 2HG GLU 114 -6.932 -13.251 -4.648 761 2HG GLU 114 1HG GLU 114 -8.559 -12.841 -4.119 762 H LYS 115 H LYS 115 -4.454 -10.454 -4.675 763 HA LYS 115 HA LYS 115 -3.469 -13.041 -4.309 764 1HB LYS 115 2HB LYS 115 -2.560 -11.298 -5.870 765 2HB LYS 115 1HB LYS 115 -1.806 -10.525 -4.484 766 1HG LYS 115 2HG LYS 115 -0.244 -11.931 -5.754 767 2HG LYS 115 1HG LYS 115 -0.442 -12.482 -4.089 768 1HD LYS 115 2HD LYS 115 -1.950 -14.230 -4.804 769 2HD LYS 115 1HD LYS 115 -1.903 -13.633 -6.464 770 1HE LYS 115 2HE LYS 115 0.513 -14.620 -4.963 771 2HE LYS 115 1HE LYS 115 -0.471 -15.637 -6.012 772 1HZ LYS 115 1HZ LYS 115 0.045 -14.177 -7.865 773 2HZ LYS 115 2HZ LYS 115 1.469 -14.781 -7.166 774 3HZ LYS 115 3HZ LYS 115 0.986 -13.187 -6.859 775 H LEU 116 H LEU 116 -3.205 -10.195 -2.227 776 HA LEU 116 HA LEU 116 -1.422 -11.418 -0.363 777 1HB LEU 116 2HB LEU 116 -3.259 -9.052 -0.063 778 2HB LEU 116 1HB LEU 116 -2.032 -9.510 1.101 779 HG LEU 116 HG LEU 116 -1.492 -8.674 -1.754 780 1HD1 LEU 116 1HD1 LEU 116 -1.058 -7.189 0.835 781 2HD1 LEU 116 2HD1 LEU 116 -2.271 -6.810 -0.389 782 3HD1 LEU 116 3HD1 LEU 116 -0.557 -6.646 -0.767 783 1HD2 LEU 116 1HD2 LEU 116 0.153 -10.259 -0.903 784 2HD2 LEU 116 2HD2 LEU 116 0.390 -9.258 0.530 785 3HD2 LEU 116 3HD2 LEU 116 0.851 -8.648 -1.060 786 H ALA 117 H ALA 117 -4.931 -11.066 -0.552 787 HA ALA 117 HA ALA 117 -5.521 -12.303 1.924 788 1HB ALA 117 1HB ALA 117 -7.177 -10.999 0.690 789 2HB ALA 117 2HB ALA 117 -7.768 -12.632 0.999 790 3HB ALA 117 3HB ALA 117 -7.169 -12.197 -0.604 791 H LYS 118 H LYS 118 -5.000 -13.471 -1.330 792 HA LYS 118 HA LYS 118 -5.538 -16.213 -0.887 793 1HB LYS 118 2HB LYS 118 -5.258 -14.864 -3.101 794 2HB LYS 118 1HB LYS 118 -3.545 -15.196 -2.898 795 1HG LYS 118 2HG LYS 118 -4.217 -16.908 -4.281 796 2HG LYS 118 1HG LYS 118 -4.305 -17.665 -2.690 797 1HD LYS 118 2HD LYS 118 -6.282 -18.197 -4.022 798 2HD LYS 118 1HD LYS 118 -6.717 -17.222 -2.617 799 1HE LYS 118 2HE LYS 118 -6.835 -15.235 -3.985 800 2HE LYS 118 1HE LYS 118 -6.269 -16.130 -5.392 801 1HZ LYS 118 1HZ LYS 118 -8.708 -15.729 -5.315 802 2HZ LYS 118 2HZ LYS 118 -8.798 -16.756 -3.963 803 3HZ LYS 118 3HZ LYS 118 -8.276 -17.364 -5.461 804 H LEU 119 H LEU 119 -2.945 -14.161 -0.022 805 HA LEU 119 HA LEU 119 -0.904 -16.195 0.177 806 1HB LEU 119 2HB LEU 119 -0.497 -13.766 -0.298 807 2HB LEU 119 1HB LEU 119 -0.993 -13.409 1.342 808 HG LEU 119 HG LEU 119 0.906 -14.883 2.122 809 1HD1 LEU 119 1HD1 LEU 119 1.741 -14.617 -0.758 810 2HD1 LEU 119 2HD1 LEU 119 1.233 -16.106 0.040 811 3HD1 LEU 119 3HD1 LEU 119 2.712 -15.292 0.550 812 1HD2 LEU 119 1HD2 LEU 119 1.557 -12.402 0.536 813 2HD2 LEU 119 2HD2 LEU 119 2.590 -13.136 1.762 814 3HD2 LEU 119 3HD2 LEU 119 1.025 -12.461 2.216 815 H GLU 120 H GLU 120 -3.523 -16.365 1.672 816 HA GLU 120 HA GLU 120 -4.376 -16.979 3.669 817 1HB GLU 120 2HB GLU 120 -1.483 -17.460 4.391 818 2HB GLU 120 1HB GLU 120 -2.846 -17.924 5.393 819 1HG GLU 120 2HG GLU 120 -3.634 -19.387 3.555 820 2HG GLU 120 1HG GLU 120 -2.170 -18.980 2.660 Start of MODEL 5 1 H ASN 18 H ASN 18 0.614 -8.790 9.961 2 HA ASN 18 HA ASN 18 0.451 -9.956 7.287 3 1HB ASN 18 2HB ASN 18 -0.231 -11.330 9.879 4 2HB ASN 18 1HB ASN 18 -0.975 -11.813 8.361 5 1HD2 ASN 18 1HD2 ASN 18 0.850 -13.206 10.214 6 2HD2 ASN 18 2HD2 ASN 18 2.175 -13.731 9.227 7 H TRP 19 H TRP 19 -0.760 -8.164 6.676 8 HA TRP 19 HA TRP 19 -3.218 -7.473 7.868 9 1HB TRP 19 2HB TRP 19 -3.707 -6.455 5.583 10 2HB TRP 19 1HB TRP 19 -2.299 -5.851 6.436 11 HD1 TRP 19 HD1 TRP 19 -1.184 -9.011 4.978 12 HE1 TRP 19 HE1 TRP 19 0.035 -8.614 2.747 13 HE3 TRP 19 HE3 TRP 19 -2.657 -4.204 4.100 14 HZ2 TRP 19 HZ2 TRP 19 0.331 -6.533 0.861 15 HZ3 TRP 19 HZ3 TRP 19 -1.868 -3.076 2.057 16 HH2 TRP 19 HH2 TRP 19 -0.404 -4.219 0.471 17 H ASP 20 H ASP 20 -4.809 -8.850 8.161 18 HA ASP 20 HA ASP 20 -5.038 -11.238 6.569 19 1HB ASP 20 2HB ASP 20 -6.790 -10.232 8.822 20 2HB ASP 20 1HB ASP 20 -6.856 -11.842 8.117 21 H ASP 21 H ASP 21 -7.389 -11.946 6.026 22 HA ASP 21 HA ASP 21 -8.192 -10.670 3.731 23 1HB ASP 21 2HB ASP 21 -8.886 -12.939 4.294 24 2HB ASP 21 1HB ASP 21 -9.873 -12.335 5.612 25 H ALA 22 H ALA 22 -9.974 -10.546 6.804 26 HA ALA 22 HA ALA 22 -11.606 -8.368 5.861 27 1HB ALA 22 1HB ALA 22 -12.661 -8.505 8.057 28 2HB ALA 22 2HB ALA 22 -11.415 -9.634 8.590 29 3HB ALA 22 3HB ALA 22 -12.533 -10.100 7.309 30 H ASP 23 H ASP 23 -8.919 -8.853 8.017 31 HA ASP 23 HA ASP 23 -8.933 -6.467 9.423 32 1HB ASP 23 2HB ASP 23 -7.565 -8.439 9.985 33 2HB ASP 23 1HB ASP 23 -6.535 -8.107 8.598 34 H VAL 24 H VAL 24 -7.321 -7.194 6.314 35 HA VAL 24 HA VAL 24 -5.941 -4.746 6.128 36 HB VAL 24 HB VAL 24 -5.315 -6.639 4.720 37 1HG1 VAL 24 1HG1 VAL 24 -7.512 -7.567 4.235 38 2HG1 VAL 24 2HG1 VAL 24 -6.623 -7.266 2.741 39 3HG1 VAL 24 3HG1 VAL 24 -7.903 -6.161 3.244 40 1HG2 VAL 24 1HG2 VAL 24 -6.182 -4.237 3.127 41 2HG2 VAL 24 2HG2 VAL 24 -5.014 -5.450 2.598 42 3HG2 VAL 24 3HG2 VAL 24 -4.658 -4.433 3.995 43 H LYS 25 H LYS 25 -9.114 -5.701 4.851 44 HA LYS 25 HA LYS 25 -9.638 -3.265 3.510 45 1HB LYS 25 2HB LYS 25 -10.829 -5.667 3.493 46 2HB LYS 25 1HB LYS 25 -11.887 -4.866 4.641 47 1HG LYS 25 2HG LYS 25 -11.306 -3.881 1.855 48 2HG LYS 25 1HG LYS 25 -12.728 -4.808 2.327 49 1HD LYS 25 2HD LYS 25 -13.321 -2.983 3.911 50 2HD LYS 25 1HD LYS 25 -11.961 -2.048 3.281 51 1HE LYS 25 2HE LYS 25 -12.960 -2.197 1.022 52 2HE LYS 25 1HE LYS 25 -14.347 -3.032 1.718 53 1HZ LYS 25 1HZ LYS 25 -14.729 -1.035 3.113 54 2HZ LYS 25 2HZ LYS 25 -14.878 -0.739 1.452 55 3HZ LYS 25 3HZ LYS 25 -13.483 -0.243 2.273 56 H LYS 26 H LYS 26 -10.271 -4.458 6.746 57 HA LYS 26 HA LYS 26 -11.969 -2.347 7.560 58 1HB LYS 26 2HB LYS 26 -11.556 -4.736 8.561 59 2HB LYS 26 1HB LYS 26 -10.318 -3.915 9.501 60 1HG LYS 26 2HG LYS 26 -11.890 -2.543 10.579 61 2HG LYS 26 1HG LYS 26 -13.157 -2.951 9.417 62 1HD LYS 26 2HD LYS 26 -12.971 -5.333 10.238 63 2HD LYS 26 1HD LYS 26 -11.951 -4.718 11.539 64 1HE LYS 26 2HE LYS 26 -13.726 -3.375 12.399 65 2HE LYS 26 1HE LYS 26 -14.730 -3.697 10.985 66 1HZ LYS 26 1HZ LYS 26 -13.956 -5.603 13.127 67 2HZ LYS 26 2HZ LYS 26 -14.665 -6.091 11.665 68 3HZ LYS 26 3HZ LYS 26 -15.518 -5.071 12.719 69 H ARG 27 H ARG 27 -8.475 -2.911 7.928 70 HA ARG 27 HA ARG 27 -8.015 -0.580 9.491 71 1HB ARG 27 2HB ARG 27 -6.099 -2.153 7.766 72 2HB ARG 27 1HB ARG 27 -5.624 -0.867 8.863 73 1HG ARG 27 2HG ARG 27 -6.660 -2.241 10.712 74 2HG ARG 27 1HG ARG 27 -6.758 -3.561 9.541 75 1HD ARG 27 2HD ARG 27 -4.281 -3.179 9.134 76 2HD ARG 27 1HD ARG 27 -4.301 -2.160 10.572 77 HE ARG 27 HE ARG 27 -4.977 -5.042 10.565 78 1HH1 ARG 27 1HH1 ARG 27 -3.693 -2.196 12.180 79 2HH1 ARG 27 2HH1 ARG 27 -3.090 -3.102 13.535 80 1HH2 ARG 27 1HH2 ARG 27 -4.190 -6.199 12.340 81 2HH2 ARG 27 2HH2 ARG 27 -3.375 -5.365 13.630 82 H TRP 28 H TRP 28 -7.889 -1.221 6.011 83 HA TRP 28 HA TRP 28 -6.801 1.291 5.282 84 1HB TRP 28 2HB TRP 28 -7.116 -0.942 3.911 85 2HB TRP 28 1HB TRP 28 -8.647 -0.201 3.455 86 HD1 TRP 28 HD1 TRP 28 -4.877 0.185 3.012 87 HE1 TRP 28 HE1 TRP 28 -4.428 1.794 1.055 88 HE3 TRP 28 HE3 TRP 28 -9.665 1.763 2.132 89 HZ2 TRP 28 HZ2 TRP 28 -5.898 3.503 -0.638 90 HZ3 TRP 28 HZ3 TRP 28 -10.055 3.386 0.323 91 HH2 TRP 28 HH2 TRP 28 -8.210 4.237 -1.030 92 H ASP 29 H ASP 29 -10.089 0.066 5.577 93 HA ASP 29 HA ASP 29 -11.442 2.429 4.828 94 1HB ASP 29 2HB ASP 29 -12.510 0.200 4.962 95 2HB ASP 29 1HB ASP 29 -12.351 0.243 6.714 96 H ALA 30 H ALA 30 -10.321 1.180 7.913 97 HA ALA 30 HA ALA 30 -11.341 2.898 9.747 98 1HB ALA 30 1HB ALA 30 -9.880 1.008 10.284 99 2HB ALA 30 2HB ALA 30 -9.395 2.483 11.122 100 3HB ALA 30 3HB ALA 30 -8.490 1.930 9.712 101 H PHE 31 H PHE 31 -8.568 3.598 7.619 102 HA PHE 31 HA PHE 31 -7.755 6.015 8.713 103 1HB PHE 31 2HB PHE 31 -7.800 5.068 5.853 104 2HB PHE 31 1HB PHE 31 -7.125 6.629 6.307 105 HD1 PHE 31 HD1 PHE 31 -6.605 3.064 6.201 106 HD2 PHE 31 HD2 PHE 31 -5.153 6.719 7.812 107 HE1 PHE 31 HE1 PHE 31 -4.457 1.979 6.708 108 HE2 PHE 31 HE2 PHE 31 -2.998 5.643 8.322 109 HZ PHE 31 HZ PHE 31 -2.647 3.270 7.768 110 H THR 32 H THR 32 -10.541 5.331 6.701 111 HA THR 32 HA THR 32 -11.178 8.147 6.375 112 HB THR 32 HB THR 32 -12.893 5.777 5.608 113 HG1 THR 32 HG1 THR 32 -10.500 6.614 4.585 114 1HG2 THR 32 1HG2 THR 32 -14.025 7.936 5.546 115 2HG2 THR 32 2HG2 THR 32 -13.761 7.332 3.909 116 3HG2 THR 32 3HG2 THR 32 -12.728 8.605 4.556 117 H LYS 33 H LYS 33 -12.386 5.329 8.135 118 HA LYS 33 HA LYS 33 -14.654 6.722 9.218 119 1HB LYS 33 2HB LYS 33 -13.473 3.995 9.545 120 2HB LYS 33 1HB LYS 33 -14.678 4.558 10.694 121 1HG LYS 33 2HG LYS 33 -15.065 4.445 7.714 122 2HG LYS 33 1HG LYS 33 -15.641 3.233 8.863 123 1HD LYS 33 2HD LYS 33 -17.026 4.886 9.960 124 2HD LYS 33 1HD LYS 33 -16.395 6.151 8.903 125 1HE LYS 33 2HE LYS 33 -17.340 4.935 6.960 126 2HE LYS 33 1HE LYS 33 -18.041 3.761 8.074 127 1HZ LYS 33 1HZ LYS 33 -19.347 5.524 9.070 128 2HZ LYS 33 2HZ LYS 33 -19.645 5.443 7.401 129 3HZ LYS 33 3HZ LYS 33 -18.657 6.667 8.027 130 H PHE 34 H PHE 34 -11.809 5.245 10.746 131 HA PHE 34 HA PHE 34 -12.488 6.540 13.251 132 1HB PHE 34 2HB PHE 34 -11.796 4.132 13.102 133 2HB PHE 34 1HB PHE 34 -10.190 4.676 12.630 134 HD1 PHE 34 HD1 PHE 34 -8.630 5.401 14.228 135 HD2 PHE 34 HD2 PHE 34 -12.669 4.691 15.362 136 HE1 PHE 34 HE1 PHE 34 -7.986 5.568 16.600 137 HE2 PHE 34 HE2 PHE 34 -12.036 4.862 17.737 138 HZ PHE 34 HZ PHE 34 -9.692 5.302 18.358 139 H GLY 35 H GLY 35 -9.964 6.642 10.788 140 1HA GLY 35 2HA GLY 35 -8.790 8.680 10.323 141 2HA GLY 35 1HA GLY 35 -9.008 9.150 12.003 142 H ALA 36 H ALA 36 -8.249 6.167 12.502 143 HA ALA 36 HA ALA 36 -6.432 4.952 13.083 144 1HB ALA 36 1HB ALA 36 -5.044 6.481 10.886 145 2HB ALA 36 2HB ALA 36 -5.948 4.979 10.684 146 3HB ALA 36 3HB ALA 36 -4.470 4.999 11.647 147 H ALA 37 H ALA 37 -6.700 6.382 15.024 148 HA ALA 37 HA ALA 37 -4.759 8.455 15.418 149 1HB ALA 37 1HB ALA 37 -6.947 8.567 16.504 150 2HB ALA 37 2HB ALA 37 -5.643 8.576 17.693 151 3HB ALA 37 3HB ALA 37 -6.571 7.103 17.414 152 H THR 38 H THR 38 -4.630 5.134 15.465 153 HA THR 38 HA THR 38 -2.580 4.926 17.514 154 HB THR 38 HB THR 38 -2.618 2.464 16.692 155 HG1 THR 38 HG1 THR 38 -4.460 1.892 15.537 156 1HG2 THR 38 1HG2 THR 38 -5.046 3.699 18.002 157 2HG2 THR 38 2HG2 THR 38 -3.573 3.180 18.821 158 3HG2 THR 38 3HG2 THR 38 -4.618 1.990 18.045 159 H ALA 39 H ALA 39 -2.872 5.307 14.123 160 HA ALA 39 HA ALA 39 0.019 5.228 13.823 161 1HB ALA 39 1HB ALA 39 -0.064 3.825 11.827 162 2HB ALA 39 2HB ALA 39 -1.800 3.603 12.043 163 3HB ALA 39 3HB ALA 39 -0.673 2.955 13.235 164 H THR 40 H THR 40 -0.432 7.518 13.732 165 HA THR 40 HA THR 40 -1.969 8.459 11.445 166 HB THR 40 HB THR 40 -0.621 10.137 13.563 167 HG1 THR 40 HG1 THR 40 -3.054 8.692 13.584 168 1HG2 THR 40 1HG2 THR 40 -1.406 11.320 11.540 169 2HG2 THR 40 2HG2 THR 40 -2.318 11.783 12.976 170 3HG2 THR 40 3HG2 THR 40 -3.025 10.669 11.806 171 H GLU 41 H GLU 41 1.337 8.015 12.384 172 HA GLU 41 HA GLU 41 2.179 9.719 10.146 173 1HB GLU 41 2HB GLU 41 3.200 10.386 12.263 174 2HB GLU 41 1HB GLU 41 3.822 8.754 12.495 175 1HG GLU 41 2HG GLU 41 5.305 8.965 10.653 176 2HG GLU 41 1HG GLU 41 4.543 10.462 10.126 177 H MET 42 H MET 42 2.313 8.552 8.372 178 HA MET 42 HA MET 42 3.764 6.005 8.474 179 1HB MET 42 2HB MET 42 1.574 5.968 7.308 180 2HB MET 42 1HB MET 42 2.155 7.206 6.204 181 1HG MET 42 2HG MET 42 2.269 5.033 5.162 182 2HG MET 42 1HG MET 42 3.891 5.677 5.408 183 1HE MET 42 1HE MET 42 1.984 2.331 7.951 184 2HE MET 42 2HE MET 42 1.211 3.083 6.556 185 3HE MET 42 3HE MET 42 1.451 4.010 8.037 186 H THR 43 H THR 43 5.811 5.965 7.823 187 HA THR 43 HA THR 43 6.906 8.395 6.611 188 HB THR 43 HB THR 43 9.116 7.530 7.366 189 HG1 THR 43 HG1 THR 43 8.062 5.732 9.142 190 1HG2 THR 43 1HG2 THR 43 8.747 7.898 9.780 191 2HG2 THR 43 2HG2 THR 43 7.008 7.771 9.515 192 3HG2 THR 43 3HG2 THR 43 7.917 9.095 8.786 193 H GLY 44 H GLY 44 8.131 8.340 4.752 194 1HA GLY 44 2HA GLY 44 7.491 6.464 2.792 195 2HA GLY 44 1HA GLY 44 8.842 7.584 2.706 196 H LYS 45 H LYS 45 10.091 6.462 5.116 197 HA LYS 45 HA LYS 45 11.763 4.539 3.944 198 1HB LYS 45 2HB LYS 45 12.444 5.934 5.844 199 2HB LYS 45 1HB LYS 45 11.268 5.129 6.872 200 1HG LYS 45 2HG LYS 45 12.486 3.026 6.631 201 2HG LYS 45 1HG LYS 45 13.660 3.823 5.583 202 1HD LYS 45 2HD LYS 45 14.556 3.657 7.822 203 2HD LYS 45 1HD LYS 45 14.231 5.350 7.444 204 1HE LYS 45 2HE LYS 45 13.476 4.953 9.669 205 2HE LYS 45 1HE LYS 45 12.049 5.112 8.647 206 1HZ LYS 45 1HZ LYS 45 12.025 2.620 8.548 207 2HZ LYS 45 2HZ LYS 45 11.686 3.278 10.071 208 3HZ LYS 45 3HZ LYS 45 13.212 2.618 9.759 209 H ASN 46 H ASN 46 9.300 4.115 6.489 210 HA ASN 46 HA ASN 46 9.517 1.294 6.531 211 1HB ASN 46 2HB ASN 46 7.337 3.127 7.544 212 2HB ASN 46 1HB ASN 46 7.351 1.388 7.811 213 1HD2 ASN 46 1HD2 ASN 46 7.416 3.481 9.785 214 2HD2 ASN 46 2HD2 ASN 46 8.887 3.281 10.677 215 H PHE 47 H PHE 47 7.449 3.528 4.784 216 HA PHE 47 HA PHE 47 5.610 1.566 3.877 217 1HB PHE 47 2HB PHE 47 5.358 4.144 3.986 218 2HB PHE 47 1HB PHE 47 6.155 4.135 2.415 219 HD1 PHE 47 HD1 PHE 47 4.867 3.921 0.504 220 HD2 PHE 47 HD2 PHE 47 3.314 2.570 4.228 221 HE1 PHE 47 HE1 PHE 47 2.704 3.456 -0.567 222 HE2 PHE 47 HE2 PHE 47 1.150 2.100 3.159 223 HZ PHE 47 HZ PHE 47 0.843 2.544 0.756 224 H ASP 48 H ASP 48 8.521 3.014 2.459 225 HA ASP 48 HA ASP 48 8.436 1.802 -0.058 226 1HB ASP 48 2HB ASP 48 10.044 3.525 0.354 227 2HB ASP 48 1HB ASP 48 10.757 2.630 1.689 228 H LYS 49 H LYS 49 9.594 0.591 3.019 229 HA LYS 49 HA LYS 49 10.702 -1.804 1.880 230 1HB LYS 49 2HB LYS 49 10.223 -1.079 4.776 231 2HB LYS 49 1HB LYS 49 11.149 -2.465 4.206 232 1HG LYS 49 2HG LYS 49 12.586 -0.747 2.965 233 2HG LYS 49 1HG LYS 49 11.816 0.447 4.010 234 1HD LYS 49 2HD LYS 49 12.575 -0.877 5.974 235 2HD LYS 49 1HD LYS 49 13.456 -1.934 4.867 236 1HE LYS 49 2HE LYS 49 13.905 1.006 5.350 237 2HE LYS 49 1HE LYS 49 14.993 -0.322 5.743 238 1HZ LYS 49 1HZ LYS 49 15.758 0.754 3.768 239 2HZ LYS 49 2HZ LYS 49 14.239 0.624 3.032 240 3HZ LYS 49 3HZ LYS 49 15.160 -0.774 3.327 241 H TRP 50 H TRP 50 7.865 -0.956 3.812 242 HA TRP 50 HA TRP 50 6.568 -3.392 3.934 243 1HB TRP 50 2HB TRP 50 5.626 -1.518 5.054 244 2HB TRP 50 1HB TRP 50 5.537 -0.577 3.571 245 HD1 TRP 50 HD1 TRP 50 3.320 -0.652 2.264 246 HE1 TRP 50 HE1 TRP 50 1.106 -1.932 2.521 247 HE3 TRP 50 HE3 TRP 50 4.701 -3.984 5.910 248 HZ2 TRP 50 HZ2 TRP 50 0.080 -4.055 4.048 249 HZ3 TRP 50 HZ3 TRP 50 3.020 -5.608 6.703 250 HH2 TRP 50 HH2 TRP 50 0.766 -5.639 5.787 251 H LEU 51 H LEU 51 6.830 -1.125 1.227 252 HA LEU 51 HA LEU 51 5.088 -2.658 -0.487 253 1HB LEU 51 2HB LEU 51 6.728 -0.222 -0.741 254 2HB LEU 51 1HB LEU 51 6.537 -1.144 -2.219 255 HG LEU 51 HG LEU 51 4.875 0.651 -2.028 256 1HD1 LEU 51 1HD1 LEU 51 4.331 -1.379 -3.275 257 2HD1 LEU 51 2HD1 LEU 51 2.902 -0.682 -2.512 258 3HD1 LEU 51 3HD1 LEU 51 3.673 -2.104 -1.808 259 1HD2 LEU 51 1HD2 LEU 51 3.876 -0.868 0.379 260 2HD2 LEU 51 2HD2 LEU 51 3.113 0.544 -0.354 261 3HD2 LEU 51 3HD2 LEU 51 4.694 0.694 0.417 262 H LYS 52 H LYS 52 8.552 -2.373 -0.007 263 HA LYS 52 HA LYS 52 9.510 -3.971 -2.064 264 1HB LYS 52 2HB LYS 52 11.111 -2.820 -0.801 265 2HB LYS 52 1HB LYS 52 10.453 -3.388 0.724 266 1HG LYS 52 2HG LYS 52 11.226 -5.713 -0.031 267 2HG LYS 52 1HG LYS 52 12.198 -4.844 -1.223 268 1HD LYS 52 2HD LYS 52 13.388 -3.679 0.480 269 2HD LYS 52 1HD LYS 52 12.272 -4.245 1.726 270 1HE LYS 52 2HE LYS 52 14.174 -5.955 0.126 271 2HE LYS 52 1HE LYS 52 14.373 -5.477 1.811 272 1HZ LYS 52 1HZ LYS 52 13.503 -7.627 1.879 273 2HZ LYS 52 2HZ LYS 52 12.376 -7.328 0.652 274 3HZ LYS 52 3HZ LYS 52 12.157 -6.639 2.189 275 H ASP 53 H ASP 53 8.678 -4.968 1.260 276 HA ASP 53 HA ASP 53 9.182 -7.723 0.723 277 1HB ASP 53 2HB ASP 53 8.219 -6.143 3.035 278 2HB ASP 53 1HB ASP 53 7.770 -7.845 3.006 279 H ALA 54 H ALA 54 6.388 -5.705 0.439 280 HA ALA 54 HA ALA 54 4.432 -7.761 0.381 281 1HB ALA 54 1HB ALA 54 4.352 -5.057 -0.961 282 2HB ALA 54 2HB ALA 54 3.854 -5.392 0.698 283 3HB ALA 54 3HB ALA 54 2.974 -6.112 -0.650 284 H GLY 55 H GLY 55 6.552 -6.343 -2.027 285 1HA GLY 55 2HA GLY 55 7.335 -7.598 -3.893 286 2HA GLY 55 1HA GLY 55 5.863 -8.558 -3.827 287 H VAL 56 H VAL 56 4.935 -5.453 -3.392 288 HA VAL 56 HA VAL 56 3.908 -5.270 -6.084 289 HB VAL 56 HB VAL 56 3.599 -3.282 -3.823 290 1HG1 VAL 56 1HG1 VAL 56 3.019 -2.341 -5.984 291 2HG1 VAL 56 2HG1 VAL 56 1.558 -2.611 -5.034 292 3HG1 VAL 56 3HG1 VAL 56 1.982 -3.725 -6.333 293 1HG2 VAL 56 1HG2 VAL 56 1.449 -4.377 -3.357 294 2HG2 VAL 56 2HG2 VAL 56 2.806 -5.476 -3.106 295 3HG2 VAL 56 3HG2 VAL 56 1.822 -5.608 -4.563 296 H LEU 57 H LEU 57 6.492 -3.954 -4.219 297 HA LEU 57 HA LEU 57 6.982 -1.698 -5.938 298 1HB LEU 57 2HB LEU 57 7.559 -1.934 -3.440 299 2HB LEU 57 1HB LEU 57 8.928 -2.887 -3.973 300 HG LEU 57 HG LEU 57 9.738 -0.944 -5.285 301 1HD1 LEU 57 1HD1 LEU 57 7.476 0.512 -3.923 302 2HD1 LEU 57 2HD1 LEU 57 7.602 0.168 -5.648 303 3HD1 LEU 57 3HD1 LEU 57 8.758 1.255 -4.880 304 1HD2 LEU 57 1HD2 LEU 57 10.441 0.394 -3.337 305 2HD2 LEU 57 2HD2 LEU 57 10.617 -1.339 -3.069 306 3HD2 LEU 57 3HD2 LEU 57 9.264 -0.468 -2.345 307 H ASP 58 H ASP 58 9.775 -1.857 -6.215 308 HA ASP 58 HA ASP 58 9.915 -3.088 -8.718 309 1HB ASP 58 2HB ASP 58 11.210 -1.089 -8.216 310 2HB ASP 58 1HB ASP 58 12.135 -1.967 -7.000 311 H ASN 59 H ASN 59 9.305 -5.148 -8.182 312 HA ASN 59 HA ASN 59 10.917 -6.998 -6.785 313 1HB ASN 59 2HB ASN 59 8.522 -7.363 -7.312 314 2HB ASN 59 1HB ASN 59 8.940 -7.521 -9.013 315 1HD2 ASN 59 1HD2 ASN 59 9.037 -9.007 -5.889 316 2HD2 ASN 59 2HD2 ASN 59 9.502 -10.584 -6.422 317 H LYS 60 H LYS 60 10.768 -6.082 -10.222 318 HA LYS 60 HA LYS 60 13.316 -7.482 -10.614 319 1HB LYS 60 2HB LYS 60 10.910 -7.711 -12.433 320 2HB LYS 60 1HB LYS 60 12.527 -8.260 -12.856 321 1HG LYS 60 2HG LYS 60 12.476 -9.833 -10.983 322 2HG LYS 60 1HG LYS 60 10.847 -9.291 -10.579 323 1HD LYS 60 2HD LYS 60 10.053 -10.052 -12.761 324 2HD LYS 60 1HD LYS 60 11.684 -10.578 -13.177 325 1HE LYS 60 2HE LYS 60 10.415 -12.490 -12.471 326 2HE LYS 60 1HE LYS 60 11.623 -12.127 -11.242 327 1HZ LYS 60 1HZ LYS 60 8.717 -11.529 -11.132 328 2HZ LYS 60 2HZ LYS 60 9.839 -10.931 -10.010 329 3HZ LYS 60 3HZ LYS 60 9.588 -12.601 -10.144 330 H ALA 61 H ALA 61 11.175 -5.853 -12.931 331 HA ALA 61 HA ALA 61 13.122 -3.655 -13.064 332 1HB ALA 61 1HB ALA 61 11.926 -5.057 -15.456 333 2HB ALA 61 2HB ALA 61 13.604 -5.170 -14.918 334 3HB ALA 61 3HB ALA 61 12.967 -3.633 -15.505 335 H ILE 62 H ILE 62 11.311 -2.860 -11.612 336 HA ILE 62 HA ILE 62 9.006 -1.937 -13.143 337 HB ILE 62 HB ILE 62 9.647 -1.619 -10.205 338 1HG1 ILE 62 2HG1 ILE 62 7.880 -3.471 -11.796 339 2HG1 ILE 62 1HG1 ILE 62 9.125 -3.886 -10.625 340 1HG2 ILE 62 1HG2 ILE 62 7.164 -0.841 -11.736 341 2HG2 ILE 62 2HG2 ILE 62 8.322 0.265 -10.995 342 3HG2 ILE 62 3HG2 ILE 62 7.344 -0.797 -9.983 343 1HD1 ILE 62 1HD1 ILE 62 6.925 -4.305 -9.727 344 2HD1 ILE 62 2HD1 ILE 62 6.469 -2.627 -10.012 345 3HD1 ILE 62 3HD1 ILE 62 7.720 -3.011 -8.830 346 H THR 63 H THR 63 8.745 0.038 -13.862 347 HA THR 63 HA THR 63 10.998 1.508 -14.518 348 HB THR 63 HB THR 63 9.050 3.247 -15.078 349 HG1 THR 63 HG1 THR 63 7.117 2.003 -15.416 350 1HG2 THR 63 1HG2 THR 63 9.521 0.614 -16.477 351 2HG2 THR 63 2HG2 THR 63 10.447 2.097 -16.710 352 3HG2 THR 63 3HG2 THR 63 8.752 2.029 -17.193 353 H GLY 64 H GLY 64 12.211 2.636 -13.174 354 1HA GLY 64 2HA GLY 64 11.348 3.912 -10.811 355 2HA GLY 64 1HA GLY 64 12.855 4.236 -11.659 356 H THR 65 H THR 65 11.511 4.969 -14.134 357 HA THR 65 HA THR 65 11.153 7.723 -13.723 358 HB THR 65 HB THR 65 11.824 6.945 -15.894 359 HG1 THR 65 HG1 THR 65 10.596 8.827 -16.012 360 1HG2 THR 65 1HG2 THR 65 10.752 4.758 -15.877 361 2HG2 THR 65 2HG2 THR 65 10.347 5.637 -17.351 362 3HG2 THR 65 3HG2 THR 65 9.168 5.516 -16.043 363 H MET 66 H MET 66 8.880 5.047 -13.823 364 HA MET 66 HA MET 66 6.573 6.797 -13.831 365 1HB MET 66 2HB MET 66 6.836 3.792 -13.649 366 2HB MET 66 1HB MET 66 5.298 4.645 -13.689 367 1HG MET 66 2HG MET 66 5.829 5.526 -15.896 368 2HG MET 66 1HG MET 66 7.392 4.715 -15.853 369 1HE MET 66 1HE MET 66 5.436 4.352 -18.296 370 2HE MET 66 2HE MET 66 5.503 2.609 -18.540 371 3HE MET 66 3HE MET 66 6.976 3.502 -18.158 372 H THR 67 H THR 67 8.135 4.518 -11.619 373 HA THR 67 HA THR 67 6.386 4.822 -9.458 374 HB THR 67 HB THR 67 8.197 3.916 -8.072 375 HG1 THR 67 HG1 THR 67 10.195 3.401 -9.458 376 1HG2 THR 67 1HG2 THR 67 8.051 2.625 -10.804 377 2HG2 THR 67 2HG2 THR 67 6.913 2.372 -9.481 378 3HG2 THR 67 3HG2 THR 67 8.585 1.834 -9.321 379 H GLY 68 H GLY 68 9.216 6.669 -10.455 380 1HA GLY 68 2HA GLY 68 9.503 8.404 -8.301 381 2HA GLY 68 1HA GLY 68 9.861 8.818 -9.970 382 H ILE 69 H ILE 69 7.257 8.589 -11.032 383 HA ILE 69 HA ILE 69 6.131 11.096 -10.450 384 HB ILE 69 HB ILE 69 4.783 8.683 -11.684 385 1HG1 ILE 69 2HG1 ILE 69 6.138 11.048 -12.997 386 2HG1 ILE 69 1HG1 ILE 69 6.819 9.427 -12.883 387 1HG2 ILE 69 1HG2 ILE 69 3.212 10.297 -12.649 388 2HG2 ILE 69 2HG2 ILE 69 4.009 11.599 -11.765 389 3HG2 ILE 69 3HG2 ILE 69 3.166 10.324 -10.885 390 1HD1 ILE 69 1HD1 ILE 69 4.964 8.572 -14.232 391 2HD1 ILE 69 2HD1 ILE 69 5.878 9.819 -15.077 392 3HD1 ILE 69 3HD1 ILE 69 4.312 10.206 -14.362 393 H ALA 70 H ALA 70 5.069 7.830 -9.538 394 HA ALA 70 HA ALA 70 2.894 8.509 -7.949 395 1HB ALA 70 1HB ALA 70 4.786 6.192 -7.556 396 2HB ALA 70 2HB ALA 70 3.405 6.219 -8.652 397 3HB ALA 70 3HB ALA 70 3.150 6.321 -6.911 398 H PHE 71 H PHE 71 6.302 8.183 -7.058 399 HA PHE 71 HA PHE 71 6.087 8.649 -4.313 400 1HB PHE 71 2HB PHE 71 8.149 7.863 -5.398 401 2HB PHE 71 1HB PHE 71 8.339 9.426 -6.182 402 HD1 PHE 71 HD1 PHE 71 8.275 7.749 -2.882 403 HD2 PHE 71 HD2 PHE 71 9.419 11.196 -5.096 404 HE1 PHE 71 HE1 PHE 71 9.575 8.555 -0.952 405 HE2 PHE 71 HE2 PHE 71 10.716 12.011 -3.170 406 HZ PHE 71 HZ PHE 71 10.796 10.688 -1.096 407 H SER 72 H SER 72 6.424 10.938 -6.992 408 HA SER 72 HA SER 72 6.559 13.267 -5.377 409 1HB SER 72 2HB SER 72 5.597 13.061 -8.242 410 2HB SER 72 1HB SER 72 6.285 14.474 -7.445 411 HG SER 72 HG SER 72 7.598 12.038 -8.103 412 H LYS 73 H LYS 73 3.921 11.325 -6.583 413 HA LYS 73 HA LYS 73 1.888 13.289 -6.182 414 1HB LYS 73 2HB LYS 73 1.713 10.289 -6.493 415 2HB LYS 73 1HB LYS 73 0.337 11.376 -6.482 416 1HG LYS 73 2HG LYS 73 2.568 11.364 -8.500 417 2HG LYS 73 1HG LYS 73 0.928 10.757 -8.746 418 1HD LYS 73 2HD LYS 73 0.015 12.966 -8.499 419 2HD LYS 73 1HD LYS 73 1.591 13.615 -8.041 420 1HE LYS 73 2HE LYS 73 2.451 13.032 -10.273 421 2HE LYS 73 1HE LYS 73 0.851 12.439 -10.720 422 1HZ LYS 73 1HZ LYS 73 1.403 15.223 -9.857 423 2HZ LYS 73 2HZ LYS 73 -0.046 14.621 -10.504 424 3HZ LYS 73 3HZ LYS 73 1.337 14.734 -11.476 425 H VAL 74 H VAL 74 3.089 10.523 -4.312 426 HA VAL 74 HA VAL 74 1.235 10.867 -2.172 427 HB VAL 74 HB VAL 74 2.180 8.710 -2.374 428 1HG1 VAL 74 1HG1 VAL 74 4.907 9.950 -2.077 429 2HG1 VAL 74 2HG1 VAL 74 4.235 9.250 -3.550 430 3HG1 VAL 74 3HG1 VAL 74 4.561 8.222 -2.153 431 1HG2 VAL 74 1HG2 VAL 74 3.162 8.337 -0.170 432 2HG2 VAL 74 2HG2 VAL 74 1.781 9.433 -0.098 433 3HG2 VAL 74 3HG2 VAL 74 3.421 10.072 0.001 434 H THR 75 H THR 75 4.746 11.650 -2.386 435 HA THR 75 HA THR 75 4.566 14.132 -1.196 436 HB THR 75 HB THR 75 3.701 12.983 0.787 437 HG1 THR 75 HG1 THR 75 6.198 13.658 1.746 438 1HG2 THR 75 1HG2 THR 75 4.757 10.809 0.568 439 2HG2 THR 75 2HG2 THR 75 5.166 11.520 2.130 440 3HG2 THR 75 3HG2 THR 75 6.347 11.527 0.821 441 H GLY 76 H GLY 76 6.280 14.919 -2.194 442 1HA GLY 76 2HA GLY 76 8.757 13.798 -2.673 443 2HA GLY 76 1HA GLY 76 8.501 15.507 -2.341 444 HA PRO 77 HA PRO 77 10.280 15.114 1.790 445 1HB PRO 77 2HB PRO 77 8.163 15.608 3.517 446 2HB PRO 77 1HB PRO 77 9.185 16.845 2.785 447 1HG PRO 77 2HG PRO 77 6.476 15.900 1.979 448 2HG PRO 77 1HG PRO 77 7.158 17.536 1.934 449 1HD PRO 77 2HD PRO 77 6.901 16.035 -0.287 450 2HD PRO 77 1HD PRO 77 8.258 17.157 -0.062 451 H LYS 78 H LYS 78 10.833 13.204 2.546 452 HA LYS 78 HA LYS 78 9.083 10.952 2.270 453 1HB LYS 78 2HB LYS 78 11.080 9.674 3.059 454 2HB LYS 78 1HB LYS 78 11.373 10.687 1.652 455 1HG LYS 78 2HG LYS 78 12.239 12.430 3.291 456 2HG LYS 78 1HG LYS 78 12.244 11.131 4.486 457 1HD LYS 78 2HD LYS 78 13.764 9.835 3.125 458 2HD LYS 78 1HD LYS 78 13.681 11.037 1.834 459 1HE LYS 78 2HE LYS 78 14.604 12.709 3.434 460 2HE LYS 78 1HE LYS 78 14.829 11.403 4.595 461 1HZ LYS 78 1HZ LYS 78 16.862 11.868 3.395 462 2HZ LYS 78 2HZ LYS 78 16.091 11.576 1.913 463 3HZ LYS 78 3HZ LYS 78 16.305 10.308 3.020 464 H LYS 79 H LYS 79 9.663 13.110 4.811 465 HA LYS 79 HA LYS 79 9.648 11.408 7.045 466 1HB LYS 79 2HB LYS 79 9.928 14.085 6.692 467 2HB LYS 79 1HB LYS 79 8.304 14.019 7.358 468 1HG LYS 79 2HG LYS 79 10.688 12.726 8.657 469 2HG LYS 79 1HG LYS 79 10.129 14.355 9.030 470 1HD LYS 79 2HD LYS 79 7.978 13.459 9.754 471 2HD LYS 79 1HD LYS 79 8.507 11.826 9.338 472 1HE LYS 79 2HE LYS 79 10.190 11.857 11.029 473 2HE LYS 79 1HE LYS 79 9.942 13.576 11.324 474 1HZ LYS 79 1HZ LYS 79 7.998 11.400 11.920 475 2HZ LYS 79 2HZ LYS 79 7.715 13.057 12.148 476 3HZ LYS 79 3HZ LYS 79 8.915 12.276 13.046 477 H LYS 80 H LYS 80 6.895 13.348 5.801 478 HA LYS 80 HA LYS 80 5.094 11.140 6.073 479 1HB LYS 80 2HB LYS 80 5.304 11.920 8.449 480 2HB LYS 80 1HB LYS 80 4.680 13.483 7.948 481 1HG LYS 80 2HG LYS 80 2.588 12.447 7.265 482 2HG LYS 80 1HG LYS 80 3.213 10.865 7.721 483 1HD LYS 80 2HD LYS 80 1.994 11.396 9.588 484 2HD LYS 80 1HD LYS 80 3.576 12.024 10.045 485 1HE LYS 80 2HE LYS 80 1.391 13.687 8.799 486 2HE LYS 80 1HE LYS 80 1.650 13.545 10.535 487 1HZ LYS 80 1HZ LYS 80 2.712 15.508 9.835 488 2HZ LYS 80 2HZ LYS 80 3.466 14.745 8.524 489 3HZ LYS 80 3HZ LYS 80 3.958 14.388 10.109 490 H ALA 81 H ALA 81 3.122 11.524 5.042 491 HA ALA 81 HA ALA 81 2.960 14.089 3.608 492 1HB ALA 81 1HB ALA 81 1.591 12.925 1.956 493 2HB ALA 81 2HB ALA 81 1.708 11.438 2.897 494 3HB ALA 81 3HB ALA 81 3.154 12.130 2.161 495 H THR 82 H THR 82 0.436 11.699 4.147 496 HA THR 82 HA THR 82 -1.069 12.951 6.114 497 HB THR 82 HB THR 82 -1.195 14.855 4.530 498 HG1 THR 82 HG1 THR 82 -3.226 15.195 5.076 499 1HG2 THR 82 1HG2 THR 82 -2.460 14.645 2.437 500 2HG2 THR 82 2HG2 THR 82 -2.605 12.907 2.701 501 3HG2 THR 82 3HG2 THR 82 -1.020 13.627 2.422 502 H PHE 83 H PHE 83 -3.679 12.425 5.154 503 HA PHE 83 HA PHE 83 -3.766 9.600 5.314 504 1HB PHE 83 2HB PHE 83 -5.902 11.565 4.463 505 2HB PHE 83 1HB PHE 83 -6.188 9.868 4.834 506 HD1 PHE 83 HD1 PHE 83 -5.942 9.043 7.138 507 HD2 PHE 83 HD2 PHE 83 -5.596 13.181 6.188 508 HE1 PHE 83 HE1 PHE 83 -6.238 9.611 9.512 509 HE2 PHE 83 HE2 PHE 83 -5.892 13.753 8.563 510 HZ PHE 83 HZ PHE 83 -6.213 11.964 10.226 511 H ASP 84 H ASP 84 -3.799 11.842 2.640 512 HA ASP 84 HA ASP 84 -4.587 10.118 0.578 513 1HB ASP 84 2HB ASP 84 -2.959 12.635 0.636 514 2HB ASP 84 1HB ASP 84 -3.117 11.720 -0.858 515 H GLU 85 H GLU 85 -1.589 10.389 2.263 516 HA GLU 85 HA GLU 85 0.386 9.666 0.545 517 1HB GLU 85 2HB GLU 85 0.608 10.158 2.974 518 2HB GLU 85 1HB GLU 85 -0.030 8.570 3.345 519 1HG GLU 85 2HG GLU 85 2.480 8.955 1.750 520 2HG GLU 85 1HG GLU 85 2.477 8.911 3.510 521 H THR 86 H THR 86 -1.117 7.136 2.578 522 HA THR 86 HA THR 86 -0.099 4.988 1.117 523 HB THR 86 HB THR 86 -2.622 4.961 2.789 524 HG1 THR 86 HG1 THR 86 0.015 5.405 3.481 525 1HG2 THR 86 1HG2 THR 86 -1.974 2.636 3.258 526 2HG2 THR 86 2HG2 THR 86 -0.594 2.807 2.172 527 3HG2 THR 86 3HG2 THR 86 -2.235 2.903 1.533 528 H LYS 87 H LYS 87 -3.146 6.685 0.877 529 HA LYS 87 HA LYS 87 -4.525 5.005 -0.878 530 1HB LYS 87 2HB LYS 87 -5.856 6.607 0.099 531 2HB LYS 87 1HB LYS 87 -4.653 7.873 -0.072 532 1HG LYS 87 2HG LYS 87 -5.166 7.854 -2.544 533 2HG LYS 87 1HG LYS 87 -6.550 6.826 -2.152 534 1HD LYS 87 2HD LYS 87 -7.555 8.504 -0.837 535 2HD LYS 87 1HD LYS 87 -6.071 9.455 -0.773 536 1HE LYS 87 2HE LYS 87 -6.277 9.806 -3.235 537 2HE LYS 87 1HE LYS 87 -7.850 9.007 -3.164 538 1HZ LYS 87 1HZ LYS 87 -7.125 11.436 -1.607 539 2HZ LYS 87 2HZ LYS 87 -8.662 10.712 -1.706 540 3HZ LYS 87 3HZ LYS 87 -7.984 11.454 -3.072 541 H LYS 88 H LYS 88 -2.366 7.749 -1.541 542 HA LYS 88 HA LYS 88 -2.800 7.675 -4.349 543 1HB LYS 88 2HB LYS 88 -0.747 9.043 -2.625 544 2HB LYS 88 1HB LYS 88 -0.755 9.185 -4.376 545 1HG LYS 88 2HG LYS 88 -3.007 10.132 -4.293 546 2HG LYS 88 1HG LYS 88 -3.004 9.978 -2.536 547 1HD LYS 88 2HD LYS 88 -1.131 11.526 -2.391 548 2HD LYS 88 1HD LYS 88 -1.080 11.652 -4.150 549 1HE LYS 88 2HE LYS 88 -3.328 12.593 -4.157 550 2HE LYS 88 1HE LYS 88 -3.404 12.440 -2.403 551 1HZ LYS 88 1HZ LYS 88 -1.589 14.193 -3.960 552 2HZ LYS 88 2HZ LYS 88 -1.474 13.963 -2.291 553 3HZ LYS 88 3HZ LYS 88 -2.862 14.677 -2.950 554 H VAL 89 H VAL 89 -0.122 6.531 -2.276 555 HA VAL 89 HA VAL 89 1.571 5.713 -4.342 556 HB VAL 89 HB VAL 89 1.285 4.317 -1.677 557 1HG1 VAL 89 1HG1 VAL 89 2.613 3.040 -3.226 558 2HG1 VAL 89 2HG1 VAL 89 3.684 3.785 -2.039 559 3HG1 VAL 89 3HG1 VAL 89 3.554 4.468 -3.659 560 1HG2 VAL 89 1HG2 VAL 89 1.599 6.695 -1.329 561 2HG2 VAL 89 2HG2 VAL 89 2.979 6.693 -2.430 562 3HG2 VAL 89 3HG2 VAL 89 3.066 5.814 -0.903 563 H LEU 90 H LEU 90 -0.840 3.805 -2.549 564 HA LEU 90 HA LEU 90 -0.400 1.396 -3.893 565 1HB LEU 90 2HB LEU 90 -2.841 2.455 -2.492 566 2HB LEU 90 1HB LEU 90 -2.736 0.824 -3.117 567 HG LEU 90 HG LEU 90 -1.113 2.053 -0.897 568 1HD1 LEU 90 1HD1 LEU 90 -2.986 -0.300 -1.020 569 2HD1 LEU 90 2HD1 LEU 90 -3.294 1.251 -0.239 570 3HD1 LEU 90 3HD1 LEU 90 -2.042 0.179 0.391 571 1HD2 LEU 90 1HD2 LEU 90 0.063 -0.099 -0.745 572 2HD2 LEU 90 2HD2 LEU 90 0.403 0.735 -2.261 573 3HD2 LEU 90 3HD2 LEU 90 -0.723 -0.622 -2.235 574 H ALA 91 H ALA 91 -2.605 4.054 -4.660 575 HA ALA 91 HA ALA 91 -3.896 2.609 -6.770 576 1HB ALA 91 1HB ALA 91 -5.071 4.339 -5.513 577 2HB ALA 91 2HB ALA 91 -5.040 4.706 -7.238 578 3HB ALA 91 3HB ALA 91 -3.955 5.553 -6.138 579 H PHE 92 H PHE 92 -1.328 5.060 -6.630 580 HA PHE 92 HA PHE 92 -1.227 5.337 -9.480 581 1HB PHE 92 2HB PHE 92 0.497 6.347 -7.241 582 2HB PHE 92 1HB PHE 92 1.031 6.492 -8.911 583 HD1 PHE 92 HD1 PHE 92 -0.369 7.782 -10.528 584 HD2 PHE 92 HD2 PHE 92 -1.101 7.821 -6.340 585 HE1 PHE 92 HE1 PHE 92 -1.701 9.832 -10.783 586 HE2 PHE 92 HE2 PHE 92 -2.434 9.871 -6.585 587 HZ PHE 92 HZ PHE 92 -2.739 10.879 -8.810 588 H VAL 93 H VAL 93 0.736 3.572 -7.090 589 HA VAL 93 HA VAL 93 2.650 2.605 -8.906 590 HB VAL 93 HB VAL 93 1.633 1.377 -6.338 591 1HG1 VAL 93 1HG1 VAL 93 3.632 -0.054 -6.396 592 2HG1 VAL 93 2HG1 VAL 93 4.007 0.547 -8.011 593 3HG1 VAL 93 3HG1 VAL 93 2.541 -0.396 -7.739 594 1HG2 VAL 93 1HG2 VAL 93 4.193 2.847 -6.970 595 2HG2 VAL 93 2HG2 VAL 93 3.713 2.209 -5.395 596 3HG2 VAL 93 3HG2 VAL 93 2.802 3.530 -6.127 597 H ALA 94 H ALA 94 -0.453 1.224 -7.848 598 HA ALA 94 HA ALA 94 -0.403 -1.094 -9.415 599 1HB ALA 94 1HB ALA 94 -2.056 -0.700 -7.644 600 2HB ALA 94 2HB ALA 94 -2.820 -1.137 -9.172 601 3HB ALA 94 3HB ALA 94 -2.813 0.545 -8.638 602 H GLU 95 H GLU 95 -1.457 2.188 -10.164 603 HA GLU 95 HA GLU 95 -2.607 1.721 -12.659 604 1HB GLU 95 2HB GLU 95 -2.842 3.828 -11.421 605 2HB GLU 95 1HB GLU 95 -1.145 4.188 -11.705 606 1HG GLU 95 2HG GLU 95 -1.552 4.280 -14.101 607 2HG GLU 95 1HG GLU 95 -3.249 3.881 -13.836 608 H ASP 96 H ASP 96 0.680 2.979 -12.011 609 HA ASP 96 HA ASP 96 1.538 2.803 -14.684 610 1HB ASP 96 2HB ASP 96 3.095 2.886 -12.096 611 2HB ASP 96 1HB ASP 96 3.864 2.926 -13.681 612 H ARG 97 H ARG 97 1.778 0.511 -12.007 613 HA ARG 97 HA ARG 97 3.329 -1.476 -13.180 614 1HB ARG 97 2HB ARG 97 1.249 -1.383 -11.077 615 2HB ARG 97 1HB ARG 97 1.545 -2.961 -11.787 616 1HG ARG 97 2HG ARG 97 3.812 -1.296 -10.776 617 2HG ARG 97 1HG ARG 97 2.840 -2.277 -9.676 618 1HD ARG 97 2HD ARG 97 4.318 -3.284 -12.106 619 2HD ARG 97 1HD ARG 97 4.836 -3.479 -10.431 620 HE ARG 97 HE ARG 97 2.273 -4.606 -11.376 621 1HH1 ARG 97 1HH1 ARG 97 5.389 -5.008 -9.821 622 2HH1 ARG 97 2HH1 ARG 97 5.101 -6.664 -9.387 623 1HH2 ARG 97 1HH2 ARG 97 1.884 -6.746 -10.815 624 2HH2 ARG 97 2HH2 ARG 97 3.101 -7.657 -9.961 625 H ALA 98 H ALA 98 -0.199 -1.085 -13.289 626 HA ALA 98 HA ALA 98 -0.601 -3.354 -14.962 627 1HB ALA 98 1HB ALA 98 -2.448 -1.057 -14.361 628 2HB ALA 98 2HB ALA 98 -2.328 -2.560 -13.445 629 3HB ALA 98 3HB ALA 98 -2.905 -2.583 -15.113 630 H ARG 99 H ARG 99 -0.582 0.140 -15.530 631 HA ARG 99 HA ARG 99 -1.465 0.179 -18.156 632 1HB ARG 99 2HB ARG 99 -1.058 2.131 -16.595 633 2HB ARG 99 1HB ARG 99 0.640 2.020 -17.024 634 1HG ARG 99 2HG ARG 99 0.047 2.416 -19.378 635 2HG ARG 99 1HG ARG 99 -1.642 2.596 -18.898 636 1HD ARG 99 2HD ARG 99 -0.662 4.779 -19.103 637 2HD ARG 99 1HD ARG 99 -0.964 4.451 -17.395 638 HE ARG 99 HE ARG 99 1.693 4.246 -18.675 639 1HH1 ARG 99 1HH1 ARG 99 -0.341 5.113 -15.949 640 2HH1 ARG 99 2HH1 ARG 99 0.999 5.515 -14.920 641 1HH2 ARG 99 1HH2 ARG 99 3.440 4.777 -17.324 642 2HH2 ARG 99 2HH2 ARG 99 3.149 5.310 -15.690 643 H GLN 100 H GLN 100 1.739 -0.480 -16.890 644 HA GLN 100 HA GLN 100 3.000 -0.507 -19.473 645 1HB GLN 100 2HB GLN 100 4.248 0.069 -17.435 646 2HB GLN 100 1HB GLN 100 3.962 -1.546 -16.800 647 1HG GLN 100 2HG GLN 100 5.237 -2.479 -18.692 648 2HG GLN 100 1HG GLN 100 5.581 -0.837 -19.235 649 1HE2 GLN 100 1HE2 GLN 100 6.247 -3.269 -16.861 650 2HE2 GLN 100 2HE2 GLN 100 7.624 -2.495 -16.164 651 H SER 101 H SER 101 1.422 -2.833 -17.413 652 HA SER 101 HA SER 101 2.529 -5.069 -18.952 653 1HB SER 101 2HB SER 101 0.968 -5.141 -16.362 654 2HB SER 101 1HB SER 101 1.844 -6.480 -17.107 655 HG SER 101 HG SER 101 2.815 -4.248 -15.725 656 H LYS 102 H LYS 102 -0.622 -4.641 -17.332 657 HA LYS 102 HA LYS 102 -1.888 -6.205 -19.417 658 1HB LYS 102 2HB LYS 102 -2.870 -5.055 -16.810 659 2HB LYS 102 1HB LYS 102 -3.960 -5.805 -17.960 660 1HG LYS 102 2HG LYS 102 -3.452 -7.426 -16.323 661 2HG LYS 102 1HG LYS 102 -2.573 -7.884 -17.781 662 1HD LYS 102 2HD LYS 102 -0.514 -7.087 -16.878 663 2HD LYS 102 1HD LYS 102 -1.338 -6.335 -15.510 664 1HE LYS 102 2HE LYS 102 -1.431 -9.296 -16.040 665 2HE LYS 102 1HE LYS 102 -0.171 -8.547 -15.061 666 1HZ LYS 102 1HZ LYS 102 -3.071 -8.234 -14.487 667 2HZ LYS 102 2HZ LYS 102 -1.760 -7.827 -13.482 668 3HZ LYS 102 3HZ LYS 102 -2.117 -9.457 -13.800 669 H LYS 103 H LYS 103 -1.783 -2.941 -18.279 670 HA LYS 103 HA LYS 103 -2.269 -0.996 -19.375 671 1HB LYS 103 2HB LYS 103 -4.113 -2.625 -21.102 672 2HB LYS 103 1HB LYS 103 -4.110 -0.866 -21.114 673 1HG LYS 103 2HG LYS 103 -1.722 -0.899 -21.718 674 2HG LYS 103 1HG LYS 103 -1.782 -2.661 -21.770 675 1HD LYS 103 2HD LYS 103 -3.453 -2.555 -23.547 676 2HD LYS 103 1HD LYS 103 -3.409 -0.792 -23.487 677 1HE LYS 103 2HE LYS 103 -2.055 -1.573 -25.327 678 2HE LYS 103 1HE LYS 103 -1.022 -0.855 -24.091 679 1HZ LYS 103 1HZ LYS 103 -1.490 -3.774 -24.427 680 2HZ LYS 103 2HZ LYS 103 -0.419 -3.045 -23.329 681 3HZ LYS 103 3HZ LYS 103 -0.128 -2.939 -24.995 682 HA PRO 104 HA PRO 104 -6.672 -0.763 -17.381 683 1HB PRO 104 2HB PRO 104 -7.174 -3.570 -16.597 684 2HB PRO 104 1HB PRO 104 -8.288 -2.375 -17.269 685 1HG PRO 104 2HG PRO 104 -7.415 -4.423 -18.744 686 2HG PRO 104 1HG PRO 104 -7.658 -2.814 -19.450 687 1HD PRO 104 2HD PRO 104 -5.113 -4.144 -18.596 688 2HD PRO 104 1HD PRO 104 -5.443 -3.176 -20.047 689 H ILE 105 H ILE 105 -6.065 0.143 -15.524 690 HA ILE 105 HA ILE 105 -3.911 -0.857 -14.014 691 HB ILE 105 HB ILE 105 -4.078 1.052 -12.653 692 1HG1 ILE 105 2HG1 ILE 105 -6.224 2.590 -13.210 693 2HG1 ILE 105 1HG1 ILE 105 -6.955 0.994 -13.350 694 1HG2 ILE 105 1HG2 ILE 105 -4.262 2.865 -14.294 695 2HG2 ILE 105 2HG2 ILE 105 -4.998 1.733 -15.430 696 3HG2 ILE 105 3HG2 ILE 105 -3.336 1.491 -14.892 697 1HD1 ILE 105 1HD1 ILE 105 -7.266 1.826 -11.122 698 2HD1 ILE 105 2HD1 ILE 105 -5.537 2.124 -10.945 699 3HD1 ILE 105 3HD1 ILE 105 -6.138 0.471 -11.074 700 H GLN 106 H GLN 106 -7.397 -0.979 -13.510 701 HA GLN 106 HA GLN 106 -7.378 -1.663 -10.803 702 1HB GLN 106 2HB GLN 106 -9.350 -2.170 -13.008 703 2HB GLN 106 1HB GLN 106 -9.634 -2.742 -11.372 704 1HG GLN 106 2HG GLN 106 -9.262 0.111 -12.244 705 2HG GLN 106 1HG GLN 106 -10.761 -0.649 -11.710 706 1HE2 GLN 106 1HE2 GLN 106 -9.376 -2.159 -9.610 707 2HE2 GLN 106 2HE2 GLN 106 -9.024 -1.025 -8.357 708 H ASP 107 H ASP 107 -6.675 -3.600 -13.593 709 HA ASP 107 HA ASP 107 -7.285 -6.127 -12.512 710 1HB ASP 107 2HB ASP 107 -6.905 -5.767 -14.916 711 2HB ASP 107 1HB ASP 107 -5.203 -5.441 -14.596 712 H GLU 108 H GLU 108 -4.392 -4.110 -12.295 713 HA GLU 108 HA GLU 108 -2.791 -6.113 -11.057 714 1HB GLU 108 2HB GLU 108 -2.533 -3.135 -11.306 715 2HB GLU 108 1HB GLU 108 -1.434 -4.051 -10.285 716 1HG GLU 108 2HG GLU 108 -1.878 -4.541 -13.219 717 2HG GLU 108 1HG GLU 108 -0.540 -3.624 -12.533 718 H LEU 109 H LEU 109 -4.830 -3.474 -9.794 719 HA LEU 109 HA LEU 109 -4.217 -3.938 -7.077 720 1HB LEU 109 2HB LEU 109 -5.438 -1.927 -7.897 721 2HB LEU 109 1HB LEU 109 -6.834 -2.942 -8.214 722 HG LEU 109 HG LEU 109 -6.799 -3.548 -5.750 723 1HD1 LEU 109 1HD1 LEU 109 -4.526 -2.866 -5.264 724 2HD1 LEU 109 2HD1 LEU 109 -5.671 -1.990 -4.251 725 3HD1 LEU 109 3HD1 LEU 109 -4.931 -1.189 -5.637 726 1HD2 LEU 109 1HD2 LEU 109 -7.312 -0.677 -6.504 727 2HD2 LEU 109 2HD2 LEU 109 -7.927 -1.489 -5.064 728 3HD2 LEU 109 3HD2 LEU 109 -8.444 -2.023 -6.663 729 H ASP 110 H ASP 110 -6.620 -5.250 -9.275 730 HA ASP 110 HA ASP 110 -7.988 -6.941 -7.531 731 1HB ASP 110 2HB ASP 110 -8.763 -6.531 -9.801 732 2HB ASP 110 1HB ASP 110 -7.323 -7.301 -10.461 733 H ALA 111 H ALA 111 -5.134 -7.600 -9.550 734 HA ALA 111 HA ALA 111 -4.654 -10.215 -8.725 735 1HB ALA 111 1HB ALA 111 -3.530 -9.166 -10.623 736 2HB ALA 111 2HB ALA 111 -2.368 -9.874 -9.502 737 3HB ALA 111 3HB ALA 111 -2.625 -8.129 -9.519 738 H ILE 112 H ILE 112 -3.460 -7.167 -7.338 739 HA ILE 112 HA ILE 112 -1.891 -8.244 -5.284 740 HB ILE 112 HB ILE 112 -3.490 -5.671 -5.295 741 1HG1 ILE 112 2HG1 ILE 112 -0.547 -6.109 -5.833 742 2HG1 ILE 112 1HG1 ILE 112 -1.760 -5.946 -7.096 743 1HG2 ILE 112 1HG2 ILE 112 -1.222 -6.503 -3.491 744 2HG2 ILE 112 2HG2 ILE 112 -2.910 -6.325 -3.019 745 3HG2 ILE 112 3HG2 ILE 112 -1.984 -4.912 -3.525 746 1HD1 ILE 112 1HD1 ILE 112 -2.281 -3.691 -6.294 747 2HD1 ILE 112 2HD1 ILE 112 -0.587 -3.858 -6.755 748 3HD1 ILE 112 3HD1 ILE 112 -1.039 -3.859 -5.052 749 H THR 113 H THR 113 -5.271 -7.164 -5.192 750 HA THR 113 HA THR 113 -5.779 -7.826 -2.519 751 HB THR 113 HB THR 113 -7.848 -7.797 -4.726 752 HG1 THR 113 HG1 THR 113 -6.674 -5.891 -4.945 753 1HG2 THR 113 1HG2 THR 113 -8.630 -8.482 -2.497 754 2HG2 THR 113 2HG2 THR 113 -9.311 -6.930 -2.983 755 3HG2 THR 113 3HG2 THR 113 -7.985 -6.985 -1.823 756 H GLU 114 H GLU 114 -6.264 -9.657 -5.509 757 HA GLU 114 HA GLU 114 -7.500 -11.918 -4.364 758 1HB GLU 114 2HB GLU 114 -7.582 -11.382 -6.757 759 2HB GLU 114 1HB GLU 114 -5.853 -11.644 -6.889 760 1HG GLU 114 2HG GLU 114 -7.486 -13.892 -5.878 761 2HG GLU 114 1HG GLU 114 -7.656 -13.463 -7.578 762 H LYS 115 H LYS 115 -4.108 -11.185 -5.105 763 HA LYS 115 HA LYS 115 -3.038 -13.674 -4.365 764 1HB LYS 115 2HB LYS 115 -2.013 -11.041 -5.032 765 2HB LYS 115 1HB LYS 115 -1.061 -11.807 -3.769 766 1HG LYS 115 2HG LYS 115 -0.187 -12.261 -6.012 767 2HG LYS 115 1HG LYS 115 -0.673 -13.731 -5.169 768 1HD LYS 115 2HD LYS 115 -2.778 -13.751 -6.411 769 2HD LYS 115 1HD LYS 115 -2.299 -12.273 -7.252 770 1HE LYS 115 2HE LYS 115 -0.425 -13.417 -8.263 771 2HE LYS 115 1HE LYS 115 -0.790 -14.882 -7.351 772 1HZ LYS 115 1HZ LYS 115 -2.862 -15.090 -8.521 773 2HZ LYS 115 2HZ LYS 115 -1.598 -14.972 -9.644 774 3HZ LYS 115 3HZ LYS 115 -2.598 -13.635 -9.349 775 H LEU 116 H LEU 116 -3.551 -10.725 -2.459 776 HA LEU 116 HA LEU 116 -2.293 -11.650 -0.102 777 1HB LEU 116 2HB LEU 116 -4.550 -9.676 -0.360 778 2HB LEU 116 1HB LEU 116 -3.504 -9.857 1.032 779 HG LEU 116 HG LEU 116 -2.633 -8.917 -1.703 780 1HD1 LEU 116 1HD1 LEU 116 -4.012 -7.285 -0.527 781 2HD1 LEU 116 2HD1 LEU 116 -2.332 -6.754 -0.623 782 3HD1 LEU 116 3HD1 LEU 116 -2.964 -7.413 0.886 783 1HD2 LEU 116 1HD2 LEU 116 -0.878 -10.155 -0.541 784 2HD2 LEU 116 2HD2 LEU 116 -1.094 -9.135 0.882 785 3HD2 LEU 116 3HD2 LEU 116 -0.498 -8.435 -0.622 786 H ALA 117 H ALA 117 -5.629 -11.795 -1.235 787 HA ALA 117 HA ALA 117 -6.815 -12.776 1.102 788 1HB ALA 117 1HB ALA 117 -8.661 -13.456 -0.319 789 2HB ALA 117 2HB ALA 117 -7.644 -13.291 -1.750 790 3HB ALA 117 3HB ALA 117 -8.068 -11.866 -0.802 791 H LYS 118 H LYS 118 -5.227 -14.435 -1.567 792 HA LYS 118 HA LYS 118 -5.831 -17.040 -0.441 793 1HB LYS 118 2HB LYS 118 -4.961 -17.987 -2.413 794 2HB LYS 118 1HB LYS 118 -5.827 -16.547 -2.931 795 1HG LYS 118 2HG LYS 118 -3.775 -15.342 -3.212 796 2HG LYS 118 1HG LYS 118 -2.850 -16.669 -2.508 797 1HD LYS 118 2HD LYS 118 -4.388 -16.708 -5.103 798 2HD LYS 118 1HD LYS 118 -2.634 -16.725 -4.911 799 1HE LYS 118 2HE LYS 118 -4.570 -18.877 -4.067 800 2HE LYS 118 1HE LYS 118 -3.424 -18.956 -5.405 801 1HZ LYS 118 1HZ LYS 118 -1.618 -18.730 -3.752 802 2HZ LYS 118 2HZ LYS 118 -2.534 -20.140 -3.547 803 3HZ LYS 118 3HZ LYS 118 -2.770 -18.826 -2.513 804 H LEU 119 H LEU 119 -3.479 -14.693 -0.031 805 HA LEU 119 HA LEU 119 -1.103 -16.251 0.137 806 1HB LEU 119 2HB LEU 119 -1.348 -13.742 -0.200 807 2HB LEU 119 1HB LEU 119 -1.627 -13.632 1.525 808 HG LEU 119 HG LEU 119 0.628 -14.665 1.887 809 1HD1 LEU 119 1HD1 LEU 119 2.199 -14.680 0.021 810 2HD1 LEU 119 2HD1 LEU 119 0.904 -14.204 -1.078 811 3HD1 LEU 119 3HD1 LEU 119 0.844 -15.772 -0.273 812 1HD2 LEU 119 1HD2 LEU 119 0.566 -12.094 0.308 813 2HD2 LEU 119 2HD2 LEU 119 1.865 -12.624 1.378 814 3HD2 LEU 119 3HD2 LEU 119 0.272 -12.252 2.039 815 H GLU 120 H GLU 120 -3.243 -17.418 1.699 816 HA GLU 120 HA GLU 120 -3.612 -18.475 3.650 817 1HB GLU 120 2HB GLU 120 -0.775 -17.617 4.186 818 2HB GLU 120 1HB GLU 120 -1.717 -18.506 5.373 819 1HG GLU 120 2HG GLU 120 -0.384 -20.079 4.225 820 2HG GLU 120 1HG GLU 120 -2.038 -20.297 3.661 Start of MODEL 6 1 H ASN 18 H ASN 18 0.748 -9.178 7.830 2 HA ASN 18 HA ASN 18 -0.790 -10.678 7.148 3 1HB ASN 18 2HB ASN 18 -0.066 -11.873 9.161 4 2HB ASN 18 1HB ASN 18 -1.293 -11.032 10.107 5 1HD2 ASN 18 1HD2 ASN 18 -2.360 -12.917 10.692 6 2HD2 ASN 18 2HD2 ASN 18 -3.298 -13.832 9.556 7 H TRP 19 H TRP 19 -2.225 -9.405 6.062 8 HA TRP 19 HA TRP 19 -4.637 -8.616 7.501 9 1HB TRP 19 2HB TRP 19 -5.248 -7.583 5.247 10 2HB TRP 19 1HB TRP 19 -3.917 -6.849 6.128 11 HD1 TRP 19 HD1 TRP 19 -2.834 -9.979 4.401 12 HE1 TRP 19 HE1 TRP 19 -1.473 -9.386 2.308 13 HE3 TRP 19 HE3 TRP 19 -3.951 -5.007 4.123 14 HZ2 TRP 19 HZ2 TRP 19 -0.957 -7.088 0.730 15 HZ3 TRP 19 HZ3 TRP 19 -2.996 -3.679 2.283 16 HH2 TRP 19 HH2 TRP 19 -1.529 -4.702 0.621 17 H ASP 20 H ASP 20 -6.612 -8.885 5.775 18 HA ASP 20 HA ASP 20 -6.728 -11.682 4.928 19 1HB ASP 20 2HB ASP 20 -7.401 -11.860 7.224 20 2HB ASP 20 1HB ASP 20 -8.414 -10.428 7.107 21 H ASP 21 H ASP 21 -8.881 -12.126 3.809 22 HA ASP 21 HA ASP 21 -9.371 -10.531 1.667 23 1HB ASP 21 2HB ASP 21 -11.297 -12.302 3.173 24 2HB ASP 21 1HB ASP 21 -11.666 -11.585 1.614 25 H ALA 22 H ALA 22 -11.151 -10.414 4.747 26 HA ALA 22 HA ALA 22 -12.601 -8.044 3.903 27 1HB ALA 22 1HB ALA 22 -12.581 -9.489 6.552 28 2HB ALA 22 2HB ALA 22 -13.746 -9.721 5.249 29 3HB ALA 22 3HB ALA 22 -13.675 -8.179 6.102 30 H ASP 23 H ASP 23 -10.018 -8.920 6.094 31 HA ASP 23 HA ASP 23 -9.789 -6.606 7.609 32 1HB ASP 23 2HB ASP 23 -8.663 -8.774 8.059 33 2HB ASP 23 1HB ASP 23 -7.551 -8.438 6.740 34 H VAL 24 H VAL 24 -8.333 -7.343 4.446 35 HA VAL 24 HA VAL 24 -6.630 -5.151 4.200 36 HB VAL 24 HB VAL 24 -8.291 -6.420 2.003 37 1HG1 VAL 24 1HG1 VAL 24 -5.799 -4.729 1.816 38 2HG1 VAL 24 2HG1 VAL 24 -7.422 -4.233 1.340 39 3HG1 VAL 24 3HG1 VAL 24 -6.606 -5.534 0.471 40 1HG2 VAL 24 1HG2 VAL 24 -6.272 -7.719 1.525 41 2HG2 VAL 24 2HG2 VAL 24 -6.876 -8.037 3.150 42 3HG2 VAL 24 3HG2 VAL 24 -5.474 -6.991 2.919 43 H LYS 25 H LYS 25 -10.019 -5.403 3.183 44 HA LYS 25 HA LYS 25 -10.300 -2.736 2.309 45 1HB LYS 25 2HB LYS 25 -11.789 -4.957 2.080 46 2HB LYS 25 1HB LYS 25 -12.649 -4.190 3.407 47 1HG LYS 25 2HG LYS 25 -13.715 -3.594 1.364 48 2HG LYS 25 1HG LYS 25 -12.894 -2.166 1.996 49 1HD LYS 25 2HD LYS 25 -11.270 -2.214 0.361 50 2HD LYS 25 1HD LYS 25 -11.480 -3.940 0.054 51 1HE LYS 25 2HE LYS 25 -13.397 -1.737 -0.700 52 2HE LYS 25 1HE LYS 25 -12.345 -2.626 -1.802 53 1HZ LYS 25 1HZ LYS 25 -13.581 -4.676 -0.912 54 2HZ LYS 25 2HZ LYS 25 -14.374 -3.682 -2.027 55 3HZ LYS 25 3HZ LYS 25 -14.754 -3.571 -0.377 56 H LYS 26 H LYS 26 -10.816 -4.359 5.352 57 HA LYS 26 HA LYS 26 -12.102 -2.370 6.813 58 1HB LYS 26 2HB LYS 26 -11.876 -4.666 7.588 59 2HB LYS 26 1HB LYS 26 -10.136 -4.484 7.712 60 1HG LYS 26 2HG LYS 26 -10.499 -2.769 9.469 61 2HG LYS 26 1HG LYS 26 -12.228 -3.124 9.390 62 1HD LYS 26 2HD LYS 26 -11.792 -5.449 9.984 63 2HD LYS 26 1HD LYS 26 -10.059 -5.121 10.032 64 1HE LYS 26 2HE LYS 26 -10.467 -3.485 11.844 65 2HE LYS 26 1HE LYS 26 -12.172 -3.942 11.831 66 1HZ LYS 26 1HZ LYS 26 -11.495 -6.228 12.356 67 2HZ LYS 26 2HZ LYS 26 -11.006 -5.132 13.558 68 3HZ LYS 26 3HZ LYS 26 -9.877 -5.727 12.441 69 H ARG 27 H ARG 27 -8.610 -3.033 6.499 70 HA ARG 27 HA ARG 27 -7.725 -1.030 8.246 71 1HB ARG 27 2HB ARG 27 -6.314 -2.177 5.830 72 2HB ARG 27 1HB ARG 27 -5.548 -1.203 7.074 73 1HG ARG 27 2HG ARG 27 -6.177 -2.950 8.731 74 2HG ARG 27 1HG ARG 27 -6.744 -3.944 7.384 75 1HD ARG 27 2HD ARG 27 -4.480 -3.781 6.381 76 2HD ARG 27 1HD ARG 27 -3.944 -2.913 7.818 77 HE ARG 27 HE ARG 27 -5.120 -5.577 8.173 78 1HH1 ARG 27 1HH1 ARG 27 -2.276 -3.523 8.175 79 2HH1 ARG 27 2HH1 ARG 27 -1.264 -4.694 8.960 80 1HH2 ARG 27 1HH2 ARG 27 -3.801 -7.115 9.216 81 2HH2 ARG 27 2HH2 ARG 27 -2.145 -6.749 9.567 82 H TRP 28 H TRP 28 -8.275 -0.946 4.754 83 HA TRP 28 HA TRP 28 -7.162 1.547 4.203 84 1HB TRP 28 2HB TRP 28 -9.438 0.076 2.870 85 2HB TRP 28 1HB TRP 28 -8.737 1.555 2.227 86 HD1 TRP 28 HD1 TRP 28 -5.925 -0.362 3.579 87 HE1 TRP 28 HE1 TRP 28 -4.733 -1.674 1.721 88 HE3 TRP 28 HE3 TRP 28 -9.474 0.002 -0.089 89 HZ2 TRP 28 HZ2 TRP 28 -5.228 -2.464 -0.941 90 HZ3 TRP 28 HZ3 TRP 28 -9.037 -1.068 -2.259 91 HH2 TRP 28 HH2 TRP 28 -6.955 -2.275 -2.675 92 H ASP 29 H ASP 29 -10.418 0.708 5.276 93 HA ASP 29 HA ASP 29 -11.301 3.459 5.075 94 1HB ASP 29 2HB ASP 29 -12.835 1.595 4.544 95 2HB ASP 29 1HB ASP 29 -12.744 1.063 6.220 96 H ALA 30 H ALA 30 -10.546 1.133 7.618 97 HA ALA 30 HA ALA 30 -11.589 2.438 9.818 98 1HB ALA 30 1HB ALA 30 -10.740 0.153 9.886 99 2HB ALA 30 2HB ALA 30 -10.040 1.135 11.173 100 3HB ALA 30 3HB ALA 30 -9.090 0.755 9.737 101 H PHE 31 H PHE 31 -8.233 2.674 8.629 102 HA PHE 31 HA PHE 31 -7.314 4.374 10.650 103 1HB PHE 31 2HB PHE 31 -6.311 3.864 7.856 104 2HB PHE 31 1HB PHE 31 -5.494 4.972 8.953 105 HD1 PHE 31 HD1 PHE 31 -4.822 4.024 11.257 106 HD2 PHE 31 HD2 PHE 31 -5.781 1.612 7.888 107 HE1 PHE 31 HE1 PHE 31 -3.596 2.142 12.261 108 HE2 PHE 31 HE2 PHE 31 -4.562 -0.276 8.887 109 HZ PHE 31 HZ PHE 31 -3.465 -0.012 11.078 110 H THR 32 H THR 32 -8.925 5.110 7.629 111 HA THR 32 HA THR 32 -8.414 7.869 7.542 112 HB THR 32 HB THR 32 -10.903 6.423 6.612 113 HG1 THR 32 HG1 THR 32 -8.392 6.195 5.799 114 1HG2 THR 32 1HG2 THR 32 -9.712 9.055 5.717 115 2HG2 THR 32 2HG2 THR 32 -11.169 8.869 6.695 116 3HG2 THR 32 3HG2 THR 32 -11.137 8.277 5.032 117 H LYS 33 H LYS 33 -10.827 5.960 9.244 118 HA LYS 33 HA LYS 33 -12.062 8.346 10.368 119 1HB LYS 33 2HB LYS 33 -12.771 5.420 10.429 120 2HB LYS 33 1HB LYS 33 -13.584 6.590 11.443 121 1HG LYS 33 2HG LYS 33 -14.954 6.217 9.549 122 2HG LYS 33 1HG LYS 33 -14.239 7.818 9.365 123 1HD LYS 33 2HD LYS 33 -12.684 7.028 7.746 124 2HD LYS 33 1HD LYS 33 -13.092 5.346 8.085 125 1HE LYS 33 2HE LYS 33 -15.064 7.344 7.000 126 2HE LYS 33 1HE LYS 33 -14.075 6.308 5.973 127 1HZ LYS 33 1HZ LYS 33 -16.024 5.365 8.015 128 2HZ LYS 33 2HZ LYS 33 -15.073 4.370 7.021 129 3HZ LYS 33 3HZ LYS 33 -16.267 5.359 6.336 130 H PHE 34 H PHE 34 -11.277 5.201 11.867 131 HA PHE 34 HA PHE 34 -10.563 6.705 14.283 132 1HB PHE 34 2HB PHE 34 -11.404 4.710 15.517 133 2HB PHE 34 1HB PHE 34 -12.641 5.578 14.626 134 HD1 PHE 34 HD1 PHE 34 -10.770 2.471 14.942 135 HD2 PHE 34 HD2 PHE 34 -13.648 4.588 12.628 136 HE1 PHE 34 HE1 PHE 34 -11.425 0.372 13.847 137 HE2 PHE 34 HE2 PHE 34 -14.308 2.485 11.526 138 HZ PHE 34 HZ PHE 34 -13.195 0.374 12.138 139 H GLY 35 H GLY 35 -8.816 6.068 15.516 140 1HA GLY 35 2HA GLY 35 -7.382 4.294 16.307 141 2HA GLY 35 1HA GLY 35 -7.426 3.602 14.692 142 H ALA 36 H ALA 36 -7.016 6.095 13.326 143 HA ALA 36 HA ALA 36 -4.132 6.044 13.530 144 1HB ALA 36 1HB ALA 36 -4.154 7.217 11.392 145 2HB ALA 36 2HB ALA 36 -5.906 7.383 11.497 146 3HB ALA 36 3HB ALA 36 -5.178 5.784 11.346 147 H ALA 37 H ALA 37 -6.132 7.644 15.331 148 HA ALA 37 HA ALA 37 -5.170 10.333 15.023 149 1HB ALA 37 1HB ALA 37 -6.345 10.797 17.095 150 2HB ALA 37 2HB ALA 37 -6.584 9.071 17.367 151 3HB ALA 37 3HB ALA 37 -7.370 9.865 16.003 152 H THR 38 H THR 38 -4.638 7.756 17.425 153 HA THR 38 HA THR 38 -2.430 9.160 18.603 154 HB THR 38 HB THR 38 -3.757 7.763 20.049 155 HG1 THR 38 HG1 THR 38 -1.796 6.083 20.418 156 1HG2 THR 38 1HG2 THR 38 -4.562 6.135 18.432 157 2HG2 THR 38 2HG2 THR 38 -3.829 5.319 19.814 158 3HG2 THR 38 3HG2 THR 38 -2.944 5.445 18.294 159 H ALA 39 H ALA 39 -2.849 6.510 16.319 160 HA ALA 39 HA ALA 39 0.048 6.591 15.803 161 1HB ALA 39 1HB ALA 39 -0.708 4.380 16.511 162 2HB ALA 39 2HB ALA 39 -0.190 4.350 14.826 163 3HB ALA 39 3HB ALA 39 -1.908 4.363 15.219 164 H THR 40 H THR 40 -0.195 8.440 14.490 165 HA THR 40 HA THR 40 -1.881 8.142 12.112 166 HB THR 40 HB THR 40 -2.353 10.125 13.407 167 HG1 THR 40 HG1 THR 40 -2.527 10.392 11.174 168 1HG2 THR 40 1HG2 THR 40 -0.693 11.900 13.722 169 2HG2 THR 40 2HG2 THR 40 0.541 10.876 12.988 170 3HG2 THR 40 3HG2 THR 40 -0.203 10.405 14.518 171 H GLU 41 H GLU 41 1.420 8.244 13.080 172 HA GLU 41 HA GLU 41 2.407 9.294 10.600 173 1HB GLU 41 2HB GLU 41 3.523 8.615 13.193 174 2HB GLU 41 1HB GLU 41 4.557 8.090 11.872 175 1HG GLU 41 2HG GLU 41 5.227 10.277 12.533 176 2HG GLU 41 1HG GLU 41 4.460 10.384 10.951 177 H MET 42 H MET 42 1.915 8.012 8.885 178 HA MET 42 HA MET 42 2.916 5.261 8.950 179 1HB MET 42 2HB MET 42 0.650 5.669 7.999 180 2HB MET 42 1HB MET 42 1.381 6.680 6.761 181 1HG MET 42 2HG MET 42 2.597 4.790 5.880 182 2HG MET 42 1HG MET 42 1.992 3.761 7.175 183 1HE MET 42 1HE MET 42 -1.033 4.888 7.355 184 2HE MET 42 2HE MET 42 -0.626 3.176 7.465 185 3HE MET 42 3HE MET 42 -1.866 3.717 6.334 186 H THR 43 H THR 43 5.095 5.658 8.967 187 HA THR 43 HA THR 43 6.427 7.591 7.447 188 HB THR 43 HB THR 43 7.780 5.038 8.214 189 HG1 THR 43 HG1 THR 43 7.505 5.416 10.310 190 1HG2 THR 43 1HG2 THR 43 8.562 7.949 8.423 191 2HG2 THR 43 2HG2 THR 43 9.100 6.817 7.182 192 3HG2 THR 43 3HG2 THR 43 9.583 6.577 8.861 193 H GLY 44 H GLY 44 7.644 7.454 5.581 194 1HA GLY 44 2HA GLY 44 6.626 6.013 3.436 195 2HA GLY 44 1HA GLY 44 8.194 6.808 3.455 196 H LYS 45 H LYS 45 9.423 5.284 5.489 197 HA LYS 45 HA LYS 45 10.159 2.997 3.935 198 1HB LYS 45 2HB LYS 45 11.727 4.348 5.419 199 2HB LYS 45 1HB LYS 45 10.991 3.518 6.786 200 1HG LYS 45 2HG LYS 45 11.618 1.354 5.689 201 2HG LYS 45 1HG LYS 45 12.539 2.293 4.517 202 1HD LYS 45 2HD LYS 45 14.048 1.531 6.202 203 2HD LYS 45 1HD LYS 45 13.822 3.267 6.420 204 1HE LYS 45 2HE LYS 45 12.411 2.949 8.286 205 2HE LYS 45 1HE LYS 45 12.225 1.228 7.947 206 1HZ LYS 45 1HZ LYS 45 13.760 1.700 9.797 207 2HZ LYS 45 2HZ LYS 45 14.785 2.519 8.721 208 3HZ LYS 45 3HZ LYS 45 14.503 0.860 8.525 209 H ASN 46 H ASN 46 7.886 3.609 6.430 210 HA ASN 46 HA ASN 46 7.646 0.917 7.367 211 1HB ASN 46 2HB ASN 46 6.849 2.794 8.735 212 2HB ASN 46 1HB ASN 46 5.675 3.220 7.495 213 1HD2 ASN 46 1HD2 ASN 46 6.525 0.928 9.977 214 2HD2 ASN 46 2HD2 ASN 46 4.972 0.180 10.097 215 H PHE 47 H PHE 47 5.849 2.948 5.095 216 HA PHE 47 HA PHE 47 4.159 0.944 4.069 217 1HB PHE 47 2HB PHE 47 3.757 3.333 3.708 218 2HB PHE 47 1HB PHE 47 5.234 3.456 2.762 219 HD1 PHE 47 HD1 PHE 47 5.270 2.892 0.468 220 HD2 PHE 47 HD2 PHE 47 1.827 2.051 2.819 221 HE1 PHE 47 HE1 PHE 47 3.995 2.417 -1.580 222 HE2 PHE 47 HE2 PHE 47 0.543 1.570 0.774 223 HZ PHE 47 HZ PHE 47 1.626 1.756 -1.429 224 H ASP 48 H ASP 48 7.320 2.146 3.040 225 HA ASP 48 HA ASP 48 7.754 0.601 0.780 226 1HB ASP 48 2HB ASP 48 9.255 2.379 1.331 227 2HB ASP 48 1HB ASP 48 9.663 1.642 2.872 228 H LYS 49 H LYS 49 8.210 -0.261 4.171 229 HA LYS 49 HA LYS 49 9.582 -2.713 3.537 230 1HB LYS 49 2HB LYS 49 10.047 -1.359 5.607 231 2HB LYS 49 1HB LYS 49 8.474 -1.862 6.215 232 1HG LYS 49 2HG LYS 49 9.201 -4.218 6.013 233 2HG LYS 49 1HG LYS 49 10.803 -3.642 5.551 234 1HD LYS 49 2HD LYS 49 10.992 -2.477 7.702 235 2HD LYS 49 1HD LYS 49 9.396 -3.081 8.160 236 1HE LYS 49 2HE LYS 49 11.876 -4.710 7.611 237 2HE LYS 49 1HE LYS 49 11.081 -4.473 9.166 238 1HZ LYS 49 1HZ LYS 49 9.115 -5.597 8.228 239 2HZ LYS 49 2HZ LYS 49 10.471 -6.599 8.301 240 3HZ LYS 49 3HZ LYS 49 9.986 -5.933 6.814 241 H TRP 50 H TRP 50 6.447 -1.821 4.933 242 HA TRP 50 HA TRP 50 5.321 -4.352 5.177 243 1HB TRP 50 2HB TRP 50 4.101 -2.617 6.150 244 2HB TRP 50 1HB TRP 50 4.228 -1.592 4.729 245 HD1 TRP 50 HD1 TRP 50 2.188 -1.502 3.197 246 HE1 TRP 50 HE1 TRP 50 -0.017 -2.803 3.003 247 HE3 TRP 50 HE3 TRP 50 3.115 -5.220 6.592 248 HZ2 TRP 50 HZ2 TRP 50 -1.208 -5.077 4.124 249 HZ3 TRP 50 HZ3 TRP 50 1.370 -6.917 6.967 250 HH2 TRP 50 HH2 TRP 50 -0.743 -6.846 5.752 251 H LEU 51 H LEU 51 5.766 -2.311 2.367 252 HA LEU 51 HA LEU 51 4.065 -3.933 0.688 253 1HB LEU 51 2HB LEU 51 5.351 -1.371 0.528 254 2HB LEU 51 1HB LEU 51 5.689 -2.300 -0.914 255 HG LEU 51 HG LEU 51 3.723 -0.870 -1.195 256 1HD1 LEU 51 1HD1 LEU 51 2.185 -2.580 -2.034 257 2HD1 LEU 51 2HD1 LEU 51 3.075 -3.814 -1.141 258 3HD1 LEU 51 3HD1 LEU 51 3.857 -2.942 -2.460 259 1HD2 LEU 51 1HD2 LEU 51 1.658 -1.356 0.029 260 2HD2 LEU 51 2HD2 LEU 51 2.947 -0.825 1.111 261 3HD2 LEU 51 3HD2 LEU 51 2.522 -2.535 1.015 262 H LYS 52 H LYS 52 7.550 -3.619 1.243 263 HA LYS 52 HA LYS 52 8.139 -5.341 -0.995 264 1HB LYS 52 2HB LYS 52 10.469 -5.102 -0.404 265 2HB LYS 52 1HB LYS 52 9.686 -3.531 -0.399 266 1HG LYS 52 2HG LYS 52 9.487 -3.782 2.106 267 2HG LYS 52 1HG LYS 52 10.569 -5.171 1.956 268 1HD LYS 52 2HD LYS 52 12.264 -3.760 0.930 269 2HD LYS 52 1HD LYS 52 11.178 -2.371 1.004 270 1HE LYS 52 2HE LYS 52 11.115 -2.792 3.523 271 2HE LYS 52 1HE LYS 52 12.507 -3.842 3.259 272 1HZ LYS 52 1HZ LYS 52 13.668 -1.950 2.257 273 2HZ LYS 52 2HZ LYS 52 13.222 -1.639 3.861 274 3HZ LYS 52 3HZ LYS 52 12.331 -0.952 2.585 275 H ASP 53 H ASP 53 7.909 -5.685 2.507 276 HA ASP 53 HA ASP 53 8.889 -8.310 2.719 277 1HB ASP 53 2HB ASP 53 7.110 -6.583 4.342 278 2HB ASP 53 1HB ASP 53 6.917 -8.314 4.588 279 H ALA 54 H ALA 54 5.668 -7.072 1.961 280 HA ALA 54 HA ALA 54 4.390 -9.570 1.649 281 1HB ALA 54 1HB ALA 54 3.707 -6.954 0.311 282 2HB ALA 54 2HB ALA 54 3.175 -7.444 1.918 283 3HB ALA 54 3HB ALA 54 2.641 -8.346 0.500 284 H GLY 55 H GLY 55 6.248 -7.539 -0.548 285 1HA GLY 55 2HA GLY 55 7.653 -8.628 -2.169 286 2HA GLY 55 1HA GLY 55 6.423 -9.869 -2.337 287 H VAL 56 H VAL 56 5.123 -6.721 -2.243 288 HA VAL 56 HA VAL 56 4.664 -6.856 -5.133 289 HB VAL 56 HB VAL 56 3.360 -5.025 -3.101 290 1HG1 VAL 56 1HG1 VAL 56 2.632 -5.622 -5.970 291 2HG1 VAL 56 2HG1 VAL 56 3.302 -4.109 -5.360 292 3HG1 VAL 56 3HG1 VAL 56 1.692 -4.627 -4.859 293 1HG2 VAL 56 1HG2 VAL 56 1.398 -6.503 -3.338 294 2HG2 VAL 56 2HG2 VAL 56 2.786 -7.327 -2.628 295 3HG2 VAL 56 3HG2 VAL 56 2.370 -7.602 -4.320 296 H LEU 57 H LEU 57 6.442 -5.118 -2.766 297 HA LEU 57 HA LEU 57 7.240 -3.145 -4.808 298 1HB LEU 57 2HB LEU 57 6.006 -2.241 -2.802 299 2HB LEU 57 1HB LEU 57 7.356 -2.766 -1.819 300 HG LEU 57 HG LEU 57 8.712 -1.268 -3.553 301 1HD1 LEU 57 1HD1 LEU 57 5.982 -0.002 -3.474 302 2HD1 LEU 57 2HD1 LEU 57 6.780 -0.673 -4.898 303 3HD1 LEU 57 3HD1 LEU 57 7.449 0.752 -4.101 304 1HD2 LEU 57 1HD2 LEU 57 7.154 -0.208 -1.201 305 2HD2 LEU 57 2HD2 LEU 57 8.554 0.571 -1.941 306 3HD2 LEU 57 3HD2 LEU 57 8.735 -0.992 -1.142 307 H ASP 58 H ASP 58 9.447 -2.338 -4.530 308 HA ASP 58 HA ASP 58 11.674 -2.700 -4.635 309 1HB ASP 58 2HB ASP 58 11.217 -2.427 -2.131 310 2HB ASP 58 1HB ASP 58 11.416 -4.175 -2.023 311 H ASN 59 H ASN 59 11.334 -4.137 -6.437 312 HA ASN 59 HA ASN 59 12.658 -6.629 -6.076 313 1HB ASN 59 2HB ASN 59 10.326 -7.204 -5.343 314 2HB ASN 59 1HB ASN 59 9.767 -6.789 -6.958 315 1HD2 ASN 59 1HD2 ASN 59 9.011 -8.875 -7.298 316 2HD2 ASN 59 2HD2 ASN 59 10.073 -10.206 -7.592 317 H LYS 60 H LYS 60 13.773 -5.019 -7.535 318 HA LYS 60 HA LYS 60 14.839 -4.914 -9.543 319 1HB LYS 60 2HB LYS 60 14.141 -7.296 -9.870 320 2HB LYS 60 1HB LYS 60 12.684 -6.712 -10.653 321 1HG LYS 60 2HG LYS 60 14.137 -5.549 -12.321 322 2HG LYS 60 1HG LYS 60 15.521 -6.373 -11.601 323 1HD LYS 60 2HD LYS 60 14.453 -8.538 -12.098 324 2HD LYS 60 1HD LYS 60 13.115 -7.683 -12.868 325 1HE LYS 60 2HE LYS 60 16.005 -7.672 -13.727 326 2HE LYS 60 1HE LYS 60 14.662 -8.469 -14.546 327 1HZ LYS 60 1HZ LYS 60 15.022 -5.536 -14.195 328 2HZ LYS 60 2HZ LYS 60 13.668 -6.263 -14.908 329 3HZ LYS 60 3HZ LYS 60 15.187 -6.411 -15.640 330 H ALA 61 H ALA 61 11.348 -5.048 -10.133 331 HA ALA 61 HA ALA 61 11.541 -3.097 -12.249 332 1HB ALA 61 1HB ALA 61 9.109 -4.376 -11.014 333 2HB ALA 61 2HB ALA 61 9.997 -4.974 -12.416 334 3HB ALA 61 3HB ALA 61 9.144 -3.434 -12.505 335 H ILE 62 H ILE 62 11.739 -2.607 -9.081 336 HA ILE 62 HA ILE 62 9.905 -0.330 -8.992 337 HB ILE 62 HB ILE 62 11.579 -1.600 -6.820 338 1HG1 ILE 62 2HG1 ILE 62 9.622 -2.906 -7.487 339 2HG1 ILE 62 1HG1 ILE 62 9.386 -2.223 -5.882 340 1HG2 ILE 62 1HG2 ILE 62 11.440 0.800 -6.439 341 2HG2 ILE 62 2HG2 ILE 62 10.459 -0.076 -5.264 342 3HG2 ILE 62 3HG2 ILE 62 9.688 0.741 -6.624 343 1HD1 ILE 62 1HD1 ILE 62 8.219 -1.156 -8.445 344 2HD1 ILE 62 2HD1 ILE 62 7.982 -0.471 -6.837 345 3HD1 ILE 62 3HD1 ILE 62 7.361 -2.079 -7.211 346 H THR 63 H THR 63 10.720 1.321 -10.061 347 HA THR 63 HA THR 63 13.572 1.939 -9.802 348 HB THR 63 HB THR 63 13.243 3.268 -11.870 349 HG1 THR 63 HG1 THR 63 11.113 2.684 -12.951 350 1HG2 THR 63 1HG2 THR 63 13.938 0.934 -12.023 351 2HG2 THR 63 2HG2 THR 63 12.894 1.365 -13.377 352 3HG2 THR 63 3HG2 THR 63 12.251 0.423 -12.032 353 H GLY 64 H GLY 64 13.124 4.674 -10.833 354 1HA GLY 64 2HA GLY 64 12.199 5.879 -8.305 355 2HA GLY 64 1HA GLY 64 13.375 6.593 -9.399 356 H THR 65 H THR 65 11.743 5.905 -11.781 357 HA THR 65 HA THR 65 10.135 8.281 -11.750 358 HB THR 65 HB THR 65 11.322 7.780 -13.782 359 HG1 THR 65 HG1 THR 65 9.713 8.469 -14.968 360 1HG2 THR 65 1HG2 THR 65 11.433 5.349 -13.614 361 2HG2 THR 65 2HG2 THR 65 10.789 5.841 -15.181 362 3HG2 THR 65 3HG2 THR 65 9.702 5.239 -13.930 363 H MET 66 H MET 66 9.448 4.799 -11.989 364 HA MET 66 HA MET 66 6.668 5.008 -12.310 365 1HB MET 66 2HB MET 66 8.342 2.801 -11.103 366 2HB MET 66 1HB MET 66 6.638 2.642 -11.507 367 1HG MET 66 2HG MET 66 7.074 2.871 -13.822 368 2HG MET 66 1HG MET 66 8.734 3.384 -13.524 369 1HE MET 66 1HE MET 66 7.255 -0.902 -12.634 370 2HE MET 66 2HE MET 66 6.200 0.353 -13.285 371 3HE MET 66 3HE MET 66 6.848 0.505 -11.652 372 H THR 67 H THR 67 8.657 4.624 -9.412 373 HA THR 67 HA THR 67 6.423 4.552 -7.630 374 HB THR 67 HB THR 67 8.122 4.647 -5.853 375 HG1 THR 67 HG1 THR 67 10.336 4.821 -6.489 376 1HG2 THR 67 1HG2 THR 67 7.660 2.490 -6.932 377 2HG2 THR 67 2HG2 THR 67 9.353 2.604 -6.458 378 3HG2 THR 67 3HG2 THR 67 8.893 2.829 -8.146 379 H GLY 68 H GLY 68 8.740 6.988 -8.699 380 1HA GLY 68 2HA GLY 68 8.207 9.004 -6.855 381 2HA GLY 68 1HA GLY 68 8.798 9.264 -8.488 382 H ILE 69 H ILE 69 6.641 8.363 -9.983 383 HA ILE 69 HA ILE 69 4.939 10.577 -9.991 384 HB ILE 69 HB ILE 69 4.452 7.826 -11.146 385 1HG1 ILE 69 2HG1 ILE 69 5.477 10.355 -12.450 386 2HG1 ILE 69 1HG1 ILE 69 6.487 9.000 -11.957 387 1HG2 ILE 69 1HG2 ILE 69 2.357 9.031 -10.932 388 2HG2 ILE 69 2HG2 ILE 69 2.837 8.945 -12.627 389 3HG2 ILE 69 3HG2 ILE 69 3.063 10.442 -11.722 390 1HD1 ILE 69 1HD1 ILE 69 5.289 7.557 -13.531 391 2HD1 ILE 69 2HD1 ILE 69 6.058 8.926 -14.330 392 3HD1 ILE 69 3HD1 ILE 69 4.319 8.940 -14.045 393 H ALA 70 H ALA 70 4.402 7.300 -8.712 394 HA ALA 70 HA ALA 70 1.773 7.651 -7.832 395 1HB ALA 70 1HB ALA 70 3.906 5.878 -6.639 396 2HB ALA 70 2HB ALA 70 2.852 5.462 -7.992 397 3HB ALA 70 3HB ALA 70 2.166 5.721 -6.387 398 H PHE 71 H PHE 71 4.816 8.002 -6.006 399 HA PHE 71 HA PHE 71 3.659 8.860 -3.601 400 1HB PHE 71 2HB PHE 71 6.400 9.374 -4.763 401 2HB PHE 71 1HB PHE 71 5.929 9.883 -3.145 402 HD1 PHE 71 HD1 PHE 71 4.532 7.743 -1.970 403 HD2 PHE 71 HD2 PHE 71 7.800 7.562 -4.689 404 HE1 PHE 71 HE1 PHE 71 5.145 5.534 -1.078 405 HE2 PHE 71 HE2 PHE 71 8.420 5.353 -3.803 406 HZ PHE 71 HZ PHE 71 7.090 4.335 -1.997 407 H SER 72 H SER 72 4.783 10.714 -6.398 408 HA SER 72 HA SER 72 4.438 13.269 -5.322 409 1HB SER 72 2HB SER 72 5.591 12.697 -7.481 410 2HB SER 72 1HB SER 72 4.001 12.476 -8.209 411 HG SER 72 HG SER 72 3.549 14.678 -7.709 412 H LYS 73 H LYS 73 2.111 11.076 -6.829 413 HA LYS 73 HA LYS 73 0.040 12.996 -7.082 414 1HB LYS 73 2HB LYS 73 -0.059 9.980 -7.019 415 2HB LYS 73 1HB LYS 73 -1.420 11.009 -7.425 416 1HG LYS 73 2HG LYS 73 1.164 10.765 -8.948 417 2HG LYS 73 1HG LYS 73 -0.416 10.145 -9.432 418 1HD LYS 73 2HD LYS 73 -1.265 12.467 -9.487 419 2HD LYS 73 1HD LYS 73 0.359 13.045 -9.104 420 1HE LYS 73 2HE LYS 73 1.193 11.956 -11.153 421 2HE LYS 73 1HE LYS 73 -0.456 11.470 -11.545 422 1HZ LYS 73 1HZ LYS 73 0.643 14.218 -11.416 423 2HZ LYS 73 2HZ LYS 73 -1.020 13.896 -11.486 424 3HZ LYS 73 3HZ LYS 73 -0.010 13.417 -12.763 425 H VAL 74 H VAL 74 0.925 10.713 -4.547 426 HA VAL 74 HA VAL 74 -1.468 11.132 -3.028 427 HB VAL 74 HB VAL 74 -0.526 9.745 -1.376 428 1HG1 VAL 74 1HG1 VAL 74 0.403 8.828 -4.081 429 2HG1 VAL 74 2HG1 VAL 74 -1.202 8.610 -3.385 430 3HG1 VAL 74 3HG1 VAL 74 0.187 7.791 -2.670 431 1HG2 VAL 74 1HG2 VAL 74 2.163 10.092 -2.690 432 2HG2 VAL 74 2HG2 VAL 74 1.807 9.025 -1.332 433 3HG2 VAL 74 3HG2 VAL 74 1.668 10.771 -1.139 434 H THR 75 H THR 75 1.671 12.648 -3.208 435 HA THR 75 HA THR 75 0.821 14.974 -1.917 436 HB THR 75 HB THR 75 0.825 13.753 0.159 437 HG1 THR 75 HG1 THR 75 1.550 15.722 0.644 438 1HG2 THR 75 1HG2 THR 75 3.696 13.020 -0.430 439 2HG2 THR 75 2HG2 THR 75 2.324 11.913 -0.432 440 3HG2 THR 75 3HG2 THR 75 2.832 12.682 1.071 441 H GLY 76 H GLY 76 3.649 12.908 -2.494 442 1HA GLY 76 2HA GLY 76 5.220 14.081 -4.168 443 2HA GLY 76 1HA GLY 76 5.284 15.316 -2.915 444 HA PRO 77 HA PRO 77 8.437 12.887 -0.866 445 1HB PRO 77 2HB PRO 77 7.450 13.738 1.745 446 2HB PRO 77 1HB PRO 77 8.942 14.195 0.923 447 1HG PRO 77 2HG PRO 77 6.898 15.931 1.317 448 2HG PRO 77 1HG PRO 77 7.983 16.027 -0.081 449 1HD PRO 77 2HD PRO 77 5.220 14.882 0.097 450 2HD PRO 77 1HD PRO 77 5.941 15.888 -1.179 451 H LYS 78 H LYS 78 8.575 10.827 -0.118 452 HA LYS 78 HA LYS 78 6.152 9.365 0.210 453 1HB LYS 78 2HB LYS 78 7.519 7.390 0.365 454 2HB LYS 78 1HB LYS 78 8.128 8.417 -0.921 455 1HG LYS 78 2HG LYS 78 9.924 9.195 0.550 456 2HG LYS 78 1HG LYS 78 9.309 8.156 1.838 457 1HD LYS 78 2HD LYS 78 9.655 6.195 0.357 458 2HD LYS 78 1HD LYS 78 10.374 7.267 -0.843 459 1HE LYS 78 2HE LYS 78 12.086 7.914 0.827 460 2HE LYS 78 1HE LYS 78 11.395 6.739 1.944 461 1HZ LYS 78 1HZ LYS 78 12.623 6.144 -0.695 462 2HZ LYS 78 2HZ LYS 78 11.890 4.992 0.311 463 3HZ LYS 78 3HZ LYS 78 13.288 5.801 0.829 464 H LYS 79 H LYS 79 8.036 11.094 2.359 465 HA LYS 79 HA LYS 79 8.255 9.792 4.719 466 1HB LYS 79 2HB LYS 79 8.910 12.121 4.400 467 2HB LYS 79 1HB LYS 79 7.222 12.605 4.318 468 1HG LYS 79 2HG LYS 79 7.120 11.493 6.697 469 2HG LYS 79 1HG LYS 79 8.855 11.810 6.674 470 1HD LYS 79 2HD LYS 79 7.744 13.675 7.708 471 2HD LYS 79 1HD LYS 79 8.355 14.188 6.133 472 1HE LYS 79 2HE LYS 79 6.149 13.922 5.161 473 2HE LYS 79 1HE LYS 79 5.524 13.306 6.689 474 1HZ LYS 79 1HZ LYS 79 5.964 15.453 7.699 475 2HZ LYS 79 2HZ LYS 79 4.949 15.626 6.354 476 3HZ LYS 79 3HZ LYS 79 6.589 16.046 6.238 477 H LYS 80 H LYS 80 5.341 11.641 3.850 478 HA LYS 80 HA LYS 80 3.387 9.849 4.632 479 1HB LYS 80 2HB LYS 80 4.390 10.110 6.927 480 2HB LYS 80 1HB LYS 80 4.019 11.829 6.847 481 1HG LYS 80 2HG LYS 80 1.589 10.922 6.362 482 2HG LYS 80 1HG LYS 80 2.208 9.506 7.212 483 1HD LYS 80 2HD LYS 80 2.735 10.822 9.144 484 2HD LYS 80 1HD LYS 80 2.342 12.316 8.291 485 1HE LYS 80 2HE LYS 80 0.015 11.560 8.076 486 2HE LYS 80 1HE LYS 80 0.415 10.093 8.965 487 1HZ LYS 80 1HZ LYS 80 1.149 11.631 10.812 488 2HZ LYS 80 2HZ LYS 80 -0.520 11.545 10.524 489 3HZ LYS 80 3HZ LYS 80 0.366 12.880 9.968 490 H ALA 81 H ALA 81 1.219 11.007 4.832 491 HA ALA 81 HA ALA 81 1.337 13.839 4.087 492 1HB ALA 81 1HB ALA 81 1.316 12.597 1.965 493 2HB ALA 81 2HB ALA 81 -0.143 13.563 2.188 494 3HB ALA 81 3HB ALA 81 -0.192 11.820 2.451 495 H THR 82 H THR 82 -0.992 11.162 4.440 496 HA THR 82 HA THR 82 -2.728 12.776 6.107 497 HB THR 82 HB THR 82 -4.635 12.425 4.408 498 HG1 THR 82 HG1 THR 82 -2.774 11.155 3.138 499 1HG2 THR 82 1HG2 THR 82 -2.429 14.362 3.703 500 2HG2 THR 82 2HG2 THR 82 -3.716 14.646 4.876 501 3HG2 THR 82 3HG2 THR 82 -4.105 14.466 3.164 502 H PHE 83 H PHE 83 -5.108 11.248 5.536 503 HA PHE 83 HA PHE 83 -4.351 8.493 6.121 504 1HB PHE 83 2HB PHE 83 -7.112 9.677 5.740 505 2HB PHE 83 1HB PHE 83 -6.737 8.080 6.377 506 HD1 PHE 83 HD1 PHE 83 -7.828 11.167 7.311 507 HD2 PHE 83 HD2 PHE 83 -4.883 8.295 8.402 508 HE1 PHE 83 HE1 PHE 83 -7.765 12.102 9.585 509 HE2 PHE 83 HE2 PHE 83 -4.820 9.220 10.679 510 HZ PHE 83 HZ PHE 83 -6.261 11.124 11.274 511 H ASP 84 H ASP 84 -5.377 10.509 3.507 512 HA ASP 84 HA ASP 84 -6.509 8.402 1.893 513 1HB ASP 84 2HB ASP 84 -6.115 11.351 1.513 514 2HB ASP 84 1HB ASP 84 -6.578 10.328 0.158 515 H GLU 85 H GLU 85 -3.353 9.900 2.096 516 HA GLU 85 HA GLU 85 -2.535 9.655 -0.583 517 1HB GLU 85 2HB GLU 85 -0.319 9.929 0.130 518 2HB GLU 85 1HB GLU 85 -1.264 10.794 1.327 519 1HG GLU 85 2HG GLU 85 -0.494 7.984 1.867 520 2HG GLU 85 1HG GLU 85 0.722 9.258 2.019 521 H THR 86 H THR 86 -2.475 7.331 2.073 522 HA THR 86 HA THR 86 -1.061 5.334 0.673 523 HB THR 86 HB THR 86 -3.053 4.752 2.845 524 HG1 THR 86 HG1 THR 86 -0.733 5.189 3.976 525 1HG2 THR 86 1HG2 THR 86 -1.928 2.890 1.758 526 2HG2 THR 86 2HG2 THR 86 -1.364 3.069 3.421 527 3HG2 THR 86 3HG2 THR 86 -0.362 3.632 2.082 528 H LYS 87 H LYS 87 -4.490 6.022 1.093 529 HA LYS 87 HA LYS 87 -5.591 3.860 -0.283 530 1HB LYS 87 2HB LYS 87 -6.919 5.486 0.979 531 2HB LYS 87 1HB LYS 87 -6.490 6.751 -0.161 532 1HG LYS 87 2HG LYS 87 -7.675 5.498 -1.929 533 2HG LYS 87 1HG LYS 87 -8.169 4.325 -0.710 534 1HD LYS 87 2HD LYS 87 -9.360 6.046 0.514 535 2HD LYS 87 1HD LYS 87 -8.817 7.267 -0.639 536 1HE LYS 87 2HE LYS 87 -11.120 6.569 -1.084 537 2HE LYS 87 1HE LYS 87 -10.048 6.157 -2.421 538 1HZ LYS 87 1HZ LYS 87 -10.971 4.273 -0.312 539 2HZ LYS 87 2HZ LYS 87 -9.967 3.883 -1.624 540 3HZ LYS 87 3HZ LYS 87 -11.574 4.354 -1.896 541 H LYS 88 H LYS 88 -4.396 6.974 -1.417 542 HA LYS 88 HA LYS 88 -4.941 6.605 -4.160 543 1HB LYS 88 2HB LYS 88 -2.966 8.381 -2.725 544 2HB LYS 88 1HB LYS 88 -3.291 8.471 -4.445 545 1HG LYS 88 2HG LYS 88 -5.356 8.885 -2.296 546 2HG LYS 88 1HG LYS 88 -4.477 10.181 -3.111 547 1HD LYS 88 2HD LYS 88 -5.378 9.366 -5.271 548 2HD LYS 88 1HD LYS 88 -6.339 8.179 -4.382 549 1HE LYS 88 2HE LYS 88 -7.531 9.937 -3.241 550 2HE LYS 88 1HE LYS 88 -6.502 11.162 -3.982 551 1HZ LYS 88 1HZ LYS 88 -8.379 9.361 -5.420 552 2HZ LYS 88 2HZ LYS 88 -7.362 10.508 -6.150 553 3HZ LYS 88 3HZ LYS 88 -8.615 11.016 -5.124 554 H VAL 89 H VAL 89 -1.863 6.337 -2.339 555 HA VAL 89 HA VAL 89 -0.347 5.643 -4.608 556 HB VAL 89 HB VAL 89 0.662 6.560 -2.554 557 1HG1 VAL 89 1HG1 VAL 89 -0.576 5.307 -0.884 558 2HG1 VAL 89 2HG1 VAL 89 1.163 5.130 -0.657 559 3HG1 VAL 89 3HG1 VAL 89 0.232 3.821 -1.387 560 1HG2 VAL 89 1HG2 VAL 89 2.061 5.466 -4.218 561 2HG2 VAL 89 2HG2 VAL 89 1.819 3.914 -3.417 562 3HG2 VAL 89 3HG2 VAL 89 2.695 5.204 -2.593 563 H LEU 90 H LEU 90 -1.983 3.630 -2.198 564 HA LEU 90 HA LEU 90 -0.929 1.161 -3.038 565 1HB LEU 90 2HB LEU 90 -2.456 1.883 -0.990 566 2HB LEU 90 1HB LEU 90 -3.743 1.372 -2.061 567 HG LEU 90 HG LEU 90 -3.004 -0.365 -0.423 568 1HD1 LEU 90 1HD1 LEU 90 -2.590 -1.068 -3.318 569 2HD1 LEU 90 2HD1 LEU 90 -4.143 -0.989 -2.486 570 3HD1 LEU 90 3HD1 LEU 90 -2.949 -2.197 -2.010 571 1HD2 LEU 90 1HD2 LEU 90 -0.908 -1.557 -0.883 572 2HD2 LEU 90 2HD2 LEU 90 -0.629 0.111 -0.381 573 3HD2 LEU 90 3HD2 LEU 90 -0.491 -0.336 -2.083 574 H ALA 91 H ALA 91 -3.712 3.060 -4.079 575 HA ALA 91 HA ALA 91 -4.643 1.239 -6.036 576 1HB ALA 91 1HB ALA 91 -4.973 4.236 -5.942 577 2HB ALA 91 2HB ALA 91 -6.014 3.067 -5.133 578 3HB ALA 91 3HB ALA 91 -5.938 3.107 -6.894 579 H PHE 92 H PHE 92 -2.387 3.983 -6.170 580 HA PHE 92 HA PHE 92 -2.016 3.906 -8.974 581 1HB PHE 92 2HB PHE 92 -0.360 5.092 -6.755 582 2HB PHE 92 1HB PHE 92 0.126 5.197 -8.445 583 HD1 PHE 92 HD1 PHE 92 -2.088 5.873 -9.971 584 HD2 PHE 92 HD2 PHE 92 -1.267 7.036 -5.960 585 HE1 PHE 92 HE1 PHE 92 -3.503 7.865 -10.262 586 HE2 PHE 92 HE2 PHE 92 -2.682 9.026 -6.243 587 HZ PHE 92 HZ PHE 92 -3.801 9.444 -8.395 588 H VAL 93 H VAL 93 -0.254 2.360 -6.315 589 HA VAL 93 HA VAL 93 1.797 1.191 -7.809 590 HB VAL 93 HB VAL 93 0.384 0.099 -5.366 591 1HG1 VAL 93 1HG1 VAL 93 2.994 -0.761 -6.609 592 2HG1 VAL 93 2HG1 VAL 93 1.506 -1.706 -6.551 593 3HG1 VAL 93 3HG1 VAL 93 2.363 -1.316 -5.060 594 1HG2 VAL 93 1HG2 VAL 93 2.332 0.957 -4.156 595 2HG2 VAL 93 2HG2 VAL 93 1.482 2.250 -5.003 596 3HG2 VAL 93 3HG2 VAL 93 2.984 1.605 -5.663 597 H ALA 94 H ALA 94 -1.483 0.017 -7.134 598 HA ALA 94 HA ALA 94 -1.278 -2.354 -8.672 599 1HB ALA 94 1HB ALA 94 -3.723 -2.391 -8.579 600 2HB ALA 94 2HB ALA 94 -3.724 -0.735 -7.973 601 3HB ALA 94 3HB ALA 94 -3.025 -2.029 -6.999 602 H GLU 95 H GLU 95 -2.485 0.888 -9.388 603 HA GLU 95 HA GLU 95 -3.472 0.567 -11.942 604 1HB GLU 95 2HB GLU 95 -3.672 2.631 -10.616 605 2HB GLU 95 1HB GLU 95 -1.957 2.940 -10.830 606 1HG GLU 95 2HG GLU 95 -3.031 4.339 -12.357 607 2HG GLU 95 1HG GLU 95 -2.425 2.991 -13.318 608 H ASP 96 H ASP 96 -0.135 1.101 -10.931 609 HA ASP 96 HA ASP 96 1.153 1.639 -13.270 610 1HB ASP 96 2HB ASP 96 2.424 1.612 -11.280 611 2HB ASP 96 1HB ASP 96 1.993 -0.056 -10.928 612 H ARG 97 H ARG 97 1.041 -1.706 -12.033 613 HA ARG 97 HA ARG 97 1.807 -2.705 -14.596 614 1HB ARG 97 2HB ARG 97 1.120 -4.021 -11.979 615 2HB ARG 97 1HB ARG 97 1.509 -4.948 -13.423 616 1HG ARG 97 2HG ARG 97 3.694 -4.050 -13.525 617 2HG ARG 97 1HG ARG 97 3.315 -2.825 -12.314 618 1HD ARG 97 2HD ARG 97 3.577 -5.796 -11.903 619 2HD ARG 97 1HD ARG 97 4.629 -4.528 -11.276 620 HE ARG 97 HE ARG 97 2.331 -5.522 -10.030 621 1HH1 ARG 97 1HH1 ARG 97 3.714 -2.361 -10.795 622 2HH1 ARG 97 2HH1 ARG 97 3.013 -1.608 -9.396 623 1HH2 ARG 97 1HH2 ARG 97 1.444 -4.512 -8.223 624 2HH2 ARG 97 2HH2 ARG 97 1.731 -2.824 -7.938 625 H ALA 98 H ALA 98 -1.211 -2.267 -12.945 626 HA ALA 98 HA ALA 98 -2.794 -4.033 -14.474 627 1HB ALA 98 1HB ALA 98 -3.597 -2.992 -12.411 628 2HB ALA 98 2HB ALA 98 -4.685 -2.659 -13.758 629 3HB ALA 98 3HB ALA 98 -3.573 -1.413 -13.194 630 H ARG 99 H ARG 99 -2.073 -0.593 -14.826 631 HA ARG 99 HA ARG 99 -3.531 -0.277 -17.257 632 1HB ARG 99 2HB ARG 99 -3.231 1.557 -15.698 633 2HB ARG 99 1HB ARG 99 -1.489 1.449 -15.856 634 1HG ARG 99 2HG ARG 99 -1.704 2.120 -18.227 635 2HG ARG 99 1HG ARG 99 -3.438 2.343 -17.962 636 1HD ARG 99 2HD ARG 99 -2.998 4.008 -16.260 637 2HD ARG 99 1HD ARG 99 -1.264 3.736 -16.406 638 HE ARG 99 HE ARG 99 -2.945 4.916 -18.529 639 1HH1 ARG 99 1HH1 ARG 99 0.082 4.624 -16.802 640 2HH1 ARG 99 2HH1 ARG 99 0.885 5.865 -17.711 641 1HH2 ARG 99 1HH2 ARG 99 -1.905 6.593 -19.714 642 2HH2 ARG 99 2HH2 ARG 99 -0.266 7.024 -19.331 643 H GLN 100 H GLN 100 -0.117 -0.711 -16.436 644 HA GLN 100 HA GLN 100 0.928 -0.233 -19.009 645 1HB GLN 100 2HB GLN 100 2.211 -0.285 -16.844 646 2HB GLN 100 1HB GLN 100 2.093 -2.034 -16.880 647 1HG GLN 100 2HG GLN 100 3.276 -0.633 -19.224 648 2HG GLN 100 1HG GLN 100 4.228 -0.781 -17.750 649 1HE2 GLN 100 1HE2 GLN 100 2.904 -2.420 -20.482 650 2HE2 GLN 100 2HE2 GLN 100 3.660 -3.952 -20.197 651 H SER 101 H SER 101 0.233 -3.326 -17.358 652 HA SER 101 HA SER 101 0.915 -4.848 -19.665 653 1HB SER 101 2HB SER 101 -0.583 -5.698 -17.180 654 2HB SER 101 1HB SER 101 0.160 -6.773 -18.366 655 HG SER 101 HG SER 101 1.394 -6.160 -16.342 656 H LYS 102 H LYS 102 -2.242 -4.333 -18.036 657 HA LYS 102 HA LYS 102 -3.528 -5.220 -20.527 658 1HB LYS 102 2HB LYS 102 -4.792 -4.837 -17.804 659 2HB LYS 102 1HB LYS 102 -5.512 -5.627 -19.202 660 1HG LYS 102 2HG LYS 102 -3.885 -7.416 -19.072 661 2HG LYS 102 1HG LYS 102 -3.075 -6.609 -17.731 662 1HD LYS 102 2HD LYS 102 -5.163 -6.812 -16.408 663 2HD LYS 102 1HD LYS 102 -5.877 -7.728 -17.739 664 1HE LYS 102 2HE LYS 102 -4.123 -9.420 -17.515 665 2HE LYS 102 1HE LYS 102 -3.398 -8.498 -16.200 666 1HZ LYS 102 1HZ LYS 102 -4.692 -10.212 -15.243 667 2HZ LYS 102 2HZ LYS 102 -6.037 -9.849 -16.203 668 3HZ LYS 102 3HZ LYS 102 -5.545 -8.771 -14.996 669 H LYS 103 H LYS 103 -4.676 -3.083 -17.984 670 HA LYS 103 HA LYS 103 -4.334 -0.589 -18.817 671 1HB LYS 103 2HB LYS 103 -6.066 -1.784 -20.770 672 2HB LYS 103 1HB LYS 103 -6.941 -0.530 -19.897 673 1HG LYS 103 2HG LYS 103 -4.703 0.819 -20.337 674 2HG LYS 103 1HG LYS 103 -4.590 -0.308 -21.689 675 1HD LYS 103 2HD LYS 103 -5.702 1.656 -22.464 676 2HD LYS 103 1HD LYS 103 -6.907 0.372 -22.340 677 1HE LYS 103 2HE LYS 103 -7.765 2.494 -21.468 678 2HE LYS 103 1HE LYS 103 -7.662 1.272 -20.202 679 1HZ LYS 103 1HZ LYS 103 -5.618 3.386 -20.664 680 2HZ LYS 103 2HZ LYS 103 -5.670 2.286 -19.377 681 3HZ LYS 103 3HZ LYS 103 -6.857 3.485 -19.507 682 HA PRO 104 HA PRO 104 -8.401 -0.603 -16.258 683 1HB PRO 104 2HB PRO 104 -9.181 -3.378 -15.836 684 2HB PRO 104 1HB PRO 104 -10.129 -2.044 -16.497 685 1HG PRO 104 2HG PRO 104 -9.293 -4.132 -18.004 686 2HG PRO 104 1HG PRO 104 -9.501 -2.497 -18.661 687 1HD PRO 104 2HD PRO 104 -6.991 -3.891 -17.795 688 2HD PRO 104 1HD PRO 104 -7.279 -2.885 -19.231 689 H ILE 105 H ILE 105 -7.567 -0.040 -14.386 690 HA ILE 105 HA ILE 105 -5.700 -1.449 -12.871 691 HB ILE 105 HB ILE 105 -5.930 0.906 -12.532 692 1HG1 ILE 105 2HG1 ILE 105 -6.844 -0.595 -10.067 693 2HG1 ILE 105 1HG1 ILE 105 -5.177 -0.327 -10.572 694 1HG2 ILE 105 1HG2 ILE 105 -7.929 1.927 -11.539 695 2HG2 ILE 105 2HG2 ILE 105 -8.741 0.361 -11.599 696 3HG2 ILE 105 3HG2 ILE 105 -8.266 1.165 -13.094 697 1HD1 ILE 105 1HD1 ILE 105 -5.452 2.063 -10.226 698 2HD1 ILE 105 2HD1 ILE 105 -5.814 1.155 -8.758 699 3HD1 ILE 105 3HD1 ILE 105 -7.127 1.808 -9.739 700 H GLN 106 H GLN 106 -9.230 -1.422 -12.685 701 HA GLN 106 HA GLN 106 -9.575 -2.610 -10.198 702 1HB GLN 106 2HB GLN 106 -11.259 -1.674 -12.082 703 2HB GLN 106 1HB GLN 106 -11.459 -3.397 -12.351 704 1HG GLN 106 2HG GLN 106 -12.015 -1.843 -9.844 705 2HG GLN 106 1HG GLN 106 -13.162 -2.712 -10.861 706 1HE2 GLN 106 1HE2 GLN 106 -10.798 -2.932 -8.376 707 2HE2 GLN 106 2HE2 GLN 106 -11.061 -4.596 -7.963 708 H ASP 107 H ASP 107 -9.151 -4.118 -13.379 709 HA ASP 107 HA ASP 107 -9.709 -6.760 -12.714 710 1HB ASP 107 2HB ASP 107 -9.363 -5.914 -15.029 711 2HB ASP 107 1HB ASP 107 -7.638 -5.791 -14.702 712 H GLU 108 H GLU 108 -6.523 -5.157 -12.791 713 HA GLU 108 HA GLU 108 -5.173 -7.411 -11.717 714 1HB GLU 108 2HB GLU 108 -4.386 -4.552 -12.157 715 2HB GLU 108 1HB GLU 108 -3.322 -5.664 -11.306 716 1HG GLU 108 2HG GLU 108 -4.365 -6.024 -14.107 717 2HG GLU 108 1HG GLU 108 -2.748 -5.486 -13.665 718 H LEU 109 H LEU 109 -6.528 -4.469 -10.247 719 HA LEU 109 HA LEU 109 -5.265 -4.829 -7.740 720 1HB LEU 109 2HB LEU 109 -6.294 -2.695 -8.345 721 2HB LEU 109 1HB LEU 109 -7.880 -3.450 -8.358 722 HG LEU 109 HG LEU 109 -7.592 -3.966 -5.927 723 1HD1 LEU 109 1HD1 LEU 109 -5.164 -3.918 -5.828 724 2HD1 LEU 109 2HD1 LEU 109 -5.863 -2.779 -4.677 725 3HD1 LEU 109 3HD1 LEU 109 -5.169 -2.192 -6.189 726 1HD2 LEU 109 1HD2 LEU 109 -8.885 -2.045 -6.633 727 2HD2 LEU 109 2HD2 LEU 109 -7.424 -1.060 -6.689 728 3HD2 LEU 109 3HD2 LEU 109 -8.004 -1.693 -5.147 729 H ASP 110 H ASP 110 -8.361 -5.916 -9.043 730 HA ASP 110 HA ASP 110 -9.355 -7.159 -6.742 731 1HB ASP 110 2HB ASP 110 -10.776 -6.867 -8.658 732 2HB ASP 110 1HB ASP 110 -9.708 -7.837 -9.666 733 H ALA 111 H ALA 111 -7.178 -8.350 -9.261 734 HA ALA 111 HA ALA 111 -6.889 -10.966 -8.211 735 1HB ALA 111 1HB ALA 111 -4.967 -11.160 -9.681 736 2HB ALA 111 2HB ALA 111 -4.950 -9.412 -9.923 737 3HB ALA 111 3HB ALA 111 -6.302 -10.373 -10.523 738 H ILE 112 H ILE 112 -4.967 -8.001 -7.832 739 HA ILE 112 HA ILE 112 -2.949 -9.002 -6.176 740 HB ILE 112 HB ILE 112 -4.188 -6.244 -6.233 741 1HG1 ILE 112 2HG1 ILE 112 -1.610 -7.245 -7.453 742 2HG1 ILE 112 1HG1 ILE 112 -3.122 -7.055 -8.338 743 1HG2 ILE 112 1HG2 ILE 112 -3.056 -6.569 -4.111 744 2HG2 ILE 112 2HG2 ILE 112 -2.137 -5.464 -5.133 745 3HG2 ILE 112 3HG2 ILE 112 -1.611 -7.137 -4.948 746 1HD1 ILE 112 1HD1 ILE 112 -3.093 -4.661 -7.870 747 2HD1 ILE 112 2HD1 ILE 112 -1.638 -5.177 -8.720 748 3HD1 ILE 112 3HD1 ILE 112 -1.579 -4.853 -6.988 749 H THR 113 H THR 113 -6.052 -7.512 -5.307 750 HA THR 113 HA THR 113 -5.738 -7.642 -2.521 751 HB THR 113 HB THR 113 -8.361 -7.753 -4.033 752 HG1 THR 113 HG1 THR 113 -7.235 -5.995 -4.828 753 1HG2 THR 113 1HG2 THR 113 -8.569 -8.096 -1.620 754 2HG2 THR 113 2HG2 THR 113 -9.223 -6.528 -2.089 755 3HG2 THR 113 3HG2 THR 113 -7.640 -6.628 -1.321 756 H GLU 114 H GLU 114 -7.211 -9.907 -4.824 757 HA GLU 114 HA GLU 114 -8.083 -11.797 -2.912 758 1HB GLU 114 2HB GLU 114 -8.853 -11.684 -5.284 759 2HB GLU 114 1HB GLU 114 -7.280 -12.288 -5.788 760 1HG GLU 114 2HG GLU 114 -8.265 -14.064 -3.832 761 2HG GLU 114 1HG GLU 114 -9.581 -13.739 -4.958 762 H LYS 115 H LYS 115 -5.156 -11.596 -4.895 763 HA LYS 115 HA LYS 115 -3.899 -13.936 -4.085 764 1HB LYS 115 2HB LYS 115 -3.030 -12.724 -5.947 765 2HB LYS 115 1HB LYS 115 -2.785 -11.279 -4.979 766 1HG LYS 115 2HG LYS 115 -0.670 -12.320 -5.433 767 2HG LYS 115 1HG LYS 115 -1.033 -12.450 -3.713 768 1HD LYS 115 2HD LYS 115 -0.126 -14.541 -4.475 769 2HD LYS 115 1HD LYS 115 -1.839 -14.762 -4.111 770 1HE LYS 115 2HE LYS 115 -2.399 -14.674 -6.449 771 2HE LYS 115 1HE LYS 115 -0.738 -14.258 -6.872 772 1HZ LYS 115 1HZ LYS 115 -0.019 -16.411 -6.090 773 2HZ LYS 115 2HZ LYS 115 -1.232 -16.600 -7.262 774 3HZ LYS 115 3HZ LYS 115 -1.600 -16.808 -5.619 775 H LEU 116 H LEU 116 -3.442 -10.657 -2.755 776 HA LEU 116 HA LEU 116 -1.596 -11.489 -0.778 777 1HB LEU 116 2HB LEU 116 -3.310 -9.032 -0.976 778 2HB LEU 116 1HB LEU 116 -2.051 -9.250 0.222 779 HG LEU 116 HG LEU 116 -1.572 -9.247 -2.760 780 1HD1 LEU 116 1HD1 LEU 116 -1.101 -7.068 -0.732 781 2HD1 LEU 116 2HD1 LEU 116 -2.319 -7.055 -2.006 782 3HD1 LEU 116 3HD1 LEU 116 -0.606 -7.031 -2.425 783 1HD2 LEU 116 1HD2 LEU 116 0.788 -9.004 -2.084 784 2HD2 LEU 116 2HD2 LEU 116 0.081 -10.527 -1.545 785 3HD2 LEU 116 3HD2 LEU 116 0.306 -9.204 -0.400 786 H ALA 117 H ALA 117 -5.095 -11.189 -0.782 787 HA ALA 117 HA ALA 117 -5.517 -11.374 1.992 788 1HB ALA 117 1HB ALA 117 -7.279 -12.402 -0.231 789 2HB ALA 117 2HB ALA 117 -7.276 -10.754 0.396 790 3HB ALA 117 3HB ALA 117 -7.774 -12.091 1.433 791 H LYS 118 H LYS 118 -5.035 -13.802 -0.500 792 HA LYS 118 HA LYS 118 -5.384 -15.984 1.384 793 1HB LYS 118 2HB LYS 118 -4.655 -15.977 -1.545 794 2HB LYS 118 1HB LYS 118 -4.961 -17.419 -0.586 795 1HG LYS 118 2HG LYS 118 -7.251 -16.765 -0.248 796 2HG LYS 118 1HG LYS 118 -6.966 -15.227 -1.069 797 1HD LYS 118 2HD LYS 118 -6.428 -16.440 -3.131 798 2HD LYS 118 1HD LYS 118 -6.733 -17.969 -2.304 799 1HE LYS 118 2HE LYS 118 -9.041 -17.430 -2.010 800 2HE LYS 118 1HE LYS 118 -8.784 -15.784 -2.594 801 1HZ LYS 118 1HZ LYS 118 -9.752 -17.107 -4.324 802 2HZ LYS 118 2HZ LYS 118 -8.538 -18.283 -4.181 803 3HZ LYS 118 3HZ LYS 118 -8.152 -16.733 -4.756 804 H LEU 119 H LEU 119 -2.837 -14.029 0.193 805 HA LEU 119 HA LEU 119 -0.804 -16.073 0.785 806 1HB LEU 119 2HB LEU 119 -1.003 -14.189 -1.203 807 2HB LEU 119 1HB LEU 119 0.039 -13.378 -0.055 808 HG LEU 119 HG LEU 119 0.586 -16.054 -1.353 809 1HD1 LEU 119 1HD1 LEU 119 2.333 -14.871 -2.551 810 2HD1 LEU 119 2HD1 LEU 119 1.882 -13.363 -1.755 811 3HD1 LEU 119 3HD1 LEU 119 0.758 -14.137 -2.873 812 1HD2 LEU 119 1HD2 LEU 119 2.306 -14.401 0.494 813 2HD2 LEU 119 2HD2 LEU 119 2.808 -15.867 -0.348 814 3HD2 LEU 119 3HD2 LEU 119 1.551 -15.946 0.887 815 H GLU 120 H GLU 120 -2.571 -14.322 2.651 816 HA GLU 120 HA GLU 120 -2.383 -13.083 4.570 817 1HB GLU 120 2HB GLU 120 0.195 -14.648 4.814 818 2HB GLU 120 1HB GLU 120 -0.668 -13.865 6.129 819 1HG GLU 120 2HG GLU 120 -2.565 -15.373 5.767 820 2HG GLU 120 1HG GLU 120 -1.663 -16.177 4.480 Start of MODEL 7 1 H ASN 18 H ASN 18 1.430 -8.004 6.190 2 HA ASN 18 HA ASN 18 0.036 -9.565 5.356 3 1HB ASN 18 2HB ASN 18 0.476 -11.092 7.931 4 2HB ASN 18 1HB ASN 18 -0.231 -11.736 6.455 5 1HD2 ASN 18 1HD2 ASN 18 2.676 -10.878 8.101 6 2HD2 ASN 18 2HD2 ASN 18 3.780 -11.526 6.933 7 H TRP 19 H TRP 19 -1.854 -8.479 5.216 8 HA TRP 19 HA TRP 19 -3.575 -8.406 7.599 9 1HB TRP 19 2HB TRP 19 -4.013 -6.829 5.062 10 2HB TRP 19 1HB TRP 19 -4.686 -6.527 6.655 11 HD1 TRP 19 HD1 TRP 19 -1.337 -7.055 7.599 12 HE1 TRP 19 HE1 TRP 19 0.083 -4.934 7.583 13 HE3 TRP 19 HE3 TRP 19 -4.396 -4.057 4.808 14 HZ2 TRP 19 HZ2 TRP 19 -0.079 -2.300 6.570 15 HZ3 TRP 19 HZ3 TRP 19 -3.693 -1.742 4.374 16 HH2 TRP 19 HH2 TRP 19 -1.575 -0.881 5.238 17 H ASP 20 H ASP 20 -5.964 -8.620 7.092 18 HA ASP 20 HA ASP 20 -6.344 -10.933 5.343 19 1HB ASP 20 2HB ASP 20 -7.329 -11.334 7.429 20 2HB ASP 20 1HB ASP 20 -7.943 -9.693 7.564 21 H ASP 21 H ASP 21 -8.172 -10.999 3.846 22 HA ASP 21 HA ASP 21 -8.128 -9.033 1.932 23 1HB ASP 21 2HB ASP 21 -9.101 -11.297 1.628 24 2HB ASP 21 1HB ASP 21 -10.498 -10.806 2.571 25 H ALA 22 H ALA 22 -10.626 -9.467 4.403 26 HA ALA 22 HA ALA 22 -11.948 -7.012 3.699 27 1HB ALA 22 1HB ALA 22 -12.388 -8.881 6.024 28 2HB ALA 22 2HB ALA 22 -13.212 -8.957 4.468 29 3HB ALA 22 3HB ALA 22 -13.461 -7.571 5.530 30 H ASP 23 H ASP 23 -9.866 -8.216 6.267 31 HA ASP 23 HA ASP 23 -9.917 -6.082 8.031 32 1HB ASP 23 2HB ASP 23 -8.812 -8.063 8.694 33 2HB ASP 23 1HB ASP 23 -7.724 -8.018 7.312 34 H VAL 24 H VAL 24 -7.877 -6.454 5.131 35 HA VAL 24 HA VAL 24 -6.358 -4.129 5.328 36 HB VAL 24 HB VAL 24 -7.553 -5.310 2.805 37 1HG1 VAL 24 1HG1 VAL 24 -6.796 -3.038 2.434 38 2HG1 VAL 24 2HG1 VAL 24 -5.709 -4.179 1.643 39 3HG1 VAL 24 3HG1 VAL 24 -5.234 -3.416 3.162 40 1HG2 VAL 24 1HG2 VAL 24 -6.205 -6.936 4.001 41 2HG2 VAL 24 2HG2 VAL 24 -4.872 -5.785 4.099 42 3HG2 VAL 24 3HG2 VAL 24 -5.380 -6.413 2.532 43 H LYS 25 H LYS 25 -9.528 -4.582 3.844 44 HA LYS 25 HA LYS 25 -9.869 -1.878 3.078 45 1HB LYS 25 2HB LYS 25 -11.862 -4.128 3.405 46 2HB LYS 25 1HB LYS 25 -12.205 -2.589 2.622 47 1HG LYS 25 2HG LYS 25 -10.918 -3.070 0.791 48 2HG LYS 25 1HG LYS 25 -9.879 -4.181 1.677 49 1HD LYS 25 2HD LYS 25 -11.768 -5.790 1.775 50 2HD LYS 25 1HD LYS 25 -12.706 -4.689 0.761 51 1HE LYS 25 2HE LYS 25 -11.169 -4.917 -1.041 52 2HE LYS 25 1HE LYS 25 -10.019 -5.790 -0.031 53 1HZ LYS 25 1HZ LYS 25 -12.722 -6.788 -0.769 54 2HZ LYS 25 2HZ LYS 25 -11.530 -7.646 0.084 55 3HZ LYS 25 3HZ LYS 25 -11.282 -7.233 -1.542 56 H LYS 26 H LYS 26 -10.638 -3.681 5.973 57 HA LYS 26 HA LYS 26 -12.295 -1.707 7.176 58 1HB LYS 26 2HB LYS 26 -10.597 -3.864 8.444 59 2HB LYS 26 1HB LYS 26 -11.773 -2.882 9.305 60 1HG LYS 26 2HG LYS 26 -13.557 -3.809 7.911 61 2HG LYS 26 1HG LYS 26 -12.368 -4.802 7.061 62 1HD LYS 26 2HD LYS 26 -11.780 -5.876 9.200 63 2HD LYS 26 1HD LYS 26 -13.030 -4.923 10.002 64 1HE LYS 26 2HE LYS 26 -14.723 -5.957 8.560 65 2HE LYS 26 1HE LYS 26 -13.468 -6.928 7.791 66 1HZ LYS 26 1HZ LYS 26 -14.584 -8.210 9.477 67 2HZ LYS 26 2HZ LYS 26 -14.263 -7.029 10.650 68 3HZ LYS 26 3HZ LYS 26 -12.987 -7.914 9.970 69 H ARG 27 H ARG 27 -8.817 -2.415 7.334 70 HA ARG 27 HA ARG 27 -8.128 -0.480 9.243 71 1HB ARG 27 2HB ARG 27 -6.462 -1.494 6.933 72 2HB ARG 27 1HB ARG 27 -5.844 -0.599 8.314 73 1HG ARG 27 2HG ARG 27 -6.655 -2.444 9.779 74 2HG ARG 27 1HG ARG 27 -7.049 -3.352 8.317 75 1HD ARG 27 2HD ARG 27 -4.637 -3.019 7.621 76 2HD ARG 27 1HD ARG 27 -4.342 -2.434 9.259 77 HE ARG 27 HE ARG 27 -5.469 -5.117 8.775 78 1HH1 ARG 27 1HH1 ARG 27 -3.031 -3.049 10.212 79 2HH1 ARG 27 2HH1 ARG 27 -2.286 -4.338 11.095 80 1HH2 ARG 27 1HH2 ARG 27 -4.496 -6.793 9.905 81 2HH2 ARG 27 2HH2 ARG 27 -3.109 -6.490 10.917 82 H TRP 28 H TRP 28 -8.406 -0.288 5.732 83 HA TRP 28 HA TRP 28 -7.460 2.270 5.279 84 1HB TRP 28 2HB TRP 28 -9.755 0.803 3.967 85 2HB TRP 28 1HB TRP 28 -9.115 2.328 3.371 86 HD1 TRP 28 HD1 TRP 28 -6.077 0.745 4.366 87 HE1 TRP 28 HE1 TRP 28 -4.975 -0.552 2.440 88 HE3 TRP 28 HE3 TRP 28 -10.089 0.398 1.205 89 HZ2 TRP 28 HZ2 TRP 28 -5.703 -1.598 -0.078 90 HZ3 TRP 28 HZ3 TRP 28 -9.801 -0.776 -0.938 91 HH2 TRP 28 HH2 TRP 28 -7.653 -1.754 -1.565 92 H ASP 29 H ASP 29 -10.742 1.282 6.225 93 HA ASP 29 HA ASP 29 -11.766 3.942 6.334 94 1HB ASP 29 2HB ASP 29 -13.234 1.980 6.021 95 2HB ASP 29 1HB ASP 29 -12.832 1.428 7.643 96 H ALA 30 H ALA 30 -10.568 1.664 8.759 97 HA ALA 30 HA ALA 30 -11.136 3.112 11.066 98 1HB ALA 30 1HB ALA 30 -10.396 0.775 11.061 99 2HB ALA 30 2HB ALA 30 -9.429 1.765 12.155 100 3HB ALA 30 3HB ALA 30 -8.776 1.293 10.587 101 H PHE 31 H PHE 31 -8.135 3.152 9.148 102 HA PHE 31 HA PHE 31 -6.849 5.066 10.797 103 1HB PHE 31 2HB PHE 31 -6.273 4.151 7.979 104 2HB PHE 31 1HB PHE 31 -5.263 5.309 8.840 105 HD1 PHE 31 HD1 PHE 31 -4.932 4.335 11.464 106 HD2 PHE 31 HD2 PHE 31 -5.261 2.095 7.860 107 HE1 PHE 31 HE1 PHE 31 -3.681 2.489 12.502 108 HE2 PHE 31 HE2 PHE 31 -4.018 0.242 8.897 109 HZ PHE 31 HZ PHE 31 -3.226 0.439 11.221 110 H THR 32 H THR 32 -9.163 5.332 8.282 111 HA THR 32 HA THR 32 -8.725 8.069 7.645 112 HB THR 32 HB THR 32 -11.247 6.406 7.403 113 HG1 THR 32 HG1 THR 32 -9.505 5.636 6.117 114 1HG2 THR 32 1HG2 THR 32 -11.712 8.825 7.393 115 2HG2 THR 32 2HG2 THR 32 -12.007 8.090 5.817 116 3HG2 THR 32 3HG2 THR 32 -10.541 9.032 6.090 117 H LYS 33 H LYS 33 -10.672 6.356 10.043 118 HA LYS 33 HA LYS 33 -11.362 8.941 11.247 119 1HB LYS 33 2HB LYS 33 -12.946 6.432 10.917 120 2HB LYS 33 1HB LYS 33 -13.273 7.485 12.280 121 1HG LYS 33 2HG LYS 33 -13.301 8.377 9.406 122 2HG LYS 33 1HG LYS 33 -14.734 7.884 10.314 123 1HD LYS 33 2HD LYS 33 -14.328 9.682 11.928 124 2HD LYS 33 1HD LYS 33 -12.888 10.167 11.029 125 1HE LYS 33 2HE LYS 33 -14.244 10.715 9.099 126 2HE LYS 33 1HE LYS 33 -15.691 10.141 9.921 127 1HZ LYS 33 1HZ LYS 33 -14.023 12.404 10.877 128 2HZ LYS 33 2HZ LYS 33 -15.517 11.911 11.502 129 3HZ LYS 33 3HZ LYS 33 -15.426 12.582 9.947 130 H PHE 34 H PHE 34 -11.443 5.556 12.407 131 HA PHE 34 HA PHE 34 -10.268 6.582 14.910 132 1HB PHE 34 2HB PHE 34 -12.703 5.918 14.995 133 2HB PHE 34 1HB PHE 34 -12.189 4.263 14.684 134 HD1 PHE 34 HD1 PHE 34 -11.291 2.911 16.416 135 HD2 PHE 34 HD2 PHE 34 -11.995 7.057 17.077 136 HE1 PHE 34 HE1 PHE 34 -10.924 2.585 18.826 137 HE2 PHE 34 HE2 PHE 34 -11.630 6.738 19.489 138 HZ PHE 34 HZ PHE 34 -11.093 4.496 20.366 139 H GLY 35 H GLY 35 -8.241 5.846 15.174 140 1HA GLY 35 2HA GLY 35 -7.363 3.479 15.833 141 2HA GLY 35 1HA GLY 35 -7.575 3.189 14.114 142 H ALA 36 H ALA 36 -6.776 6.072 13.629 143 HA ALA 36 HA ALA 36 -3.971 5.489 13.286 144 1HB ALA 36 1HB ALA 36 -5.258 6.561 11.497 145 2HB ALA 36 2HB ALA 36 -3.912 7.574 12.022 146 3HB ALA 36 3HB ALA 36 -5.553 7.950 12.544 147 H ALA 37 H ALA 37 -4.141 5.442 15.855 148 HA ALA 37 HA ALA 37 -3.450 8.119 16.851 149 1HB ALA 37 1HB ALA 37 -5.363 7.051 17.958 150 2HB ALA 37 2HB ALA 37 -4.022 7.318 19.074 151 3HB ALA 37 3HB ALA 37 -4.329 5.705 18.431 152 H THR 38 H THR 38 -2.500 4.703 17.080 153 HA THR 38 HA THR 38 -0.165 5.139 18.591 154 HB THR 38 HB THR 38 -1.147 2.941 18.530 155 HG1 THR 38 HG1 THR 38 0.734 1.731 18.139 156 1HG2 THR 38 1HG2 THR 38 -0.461 2.892 15.592 157 2HG2 THR 38 2HG2 THR 38 -2.083 2.956 16.281 158 3HG2 THR 38 3HG2 THR 38 -1.078 1.526 16.518 159 H ALA 39 H ALA 39 -0.794 5.213 15.154 160 HA ALA 39 HA ALA 39 2.057 5.679 14.636 161 1HB ALA 39 1HB ALA 39 1.048 3.854 13.351 162 2HB ALA 39 2HB ALA 39 1.558 5.173 12.297 163 3HB ALA 39 3HB ALA 39 -0.148 4.974 12.701 164 H THR 40 H THR 40 2.729 7.664 14.105 165 HA THR 40 HA THR 40 0.990 9.881 14.139 166 HB THR 40 HB THR 40 3.337 10.094 14.788 167 HG1 THR 40 HG1 THR 40 2.510 12.021 14.174 168 1HG2 THR 40 1HG2 THR 40 3.971 9.650 11.867 169 2HG2 THR 40 2HG2 THR 40 4.339 8.542 13.189 170 3HG2 THR 40 3HG2 THR 40 5.127 10.118 13.116 171 H GLU 41 H GLU 41 2.307 7.914 11.594 172 HA GLU 41 HA GLU 41 0.300 8.470 9.744 173 1HB GLU 41 2HB GLU 41 2.062 10.573 9.761 174 2HB GLU 41 1HB GLU 41 2.781 9.524 8.546 175 1HG GLU 41 2HG GLU 41 1.328 11.074 7.454 176 2HG GLU 41 1HG GLU 41 0.605 9.468 7.372 177 H MET 42 H MET 42 1.752 7.857 7.354 178 HA MET 42 HA MET 42 2.474 5.130 8.048 179 1HB MET 42 2HB MET 42 1.044 5.689 6.050 180 2HB MET 42 1HB MET 42 2.480 6.381 5.300 181 1HG MET 42 2HG MET 42 2.048 4.100 4.538 182 2HG MET 42 1HG MET 42 3.597 4.242 5.367 183 1HE MET 42 1HE MET 42 3.725 1.594 5.624 184 2HE MET 42 2HE MET 42 2.175 1.414 4.801 185 3HE MET 42 3HE MET 42 2.449 0.614 6.348 186 H THR 43 H THR 43 4.453 4.767 8.763 187 HA THR 43 HA THR 43 6.630 6.521 8.292 188 HB THR 43 HB THR 43 7.950 4.526 9.316 189 HG1 THR 43 HG1 THR 43 6.659 3.000 10.333 190 1HG2 THR 43 1HG2 THR 43 7.220 5.159 11.557 191 2HG2 THR 43 2HG2 THR 43 5.758 5.887 10.891 192 3HG2 THR 43 3HG2 THR 43 7.337 6.582 10.521 193 H GLY 44 H GLY 44 7.901 6.638 6.596 194 1HA GLY 44 2HA GLY 44 7.635 5.144 4.286 195 2HA GLY 44 1HA GLY 44 9.041 6.121 4.678 196 H LYS 45 H LYS 45 9.880 4.616 6.960 197 HA LYS 45 HA LYS 45 11.504 2.676 5.797 198 1HB LYS 45 2HB LYS 45 12.052 3.669 7.938 199 2HB LYS 45 1HB LYS 45 10.608 2.987 8.669 200 1HG LYS 45 2HG LYS 45 11.544 0.715 8.187 201 2HG LYS 45 1HG LYS 45 13.041 1.510 7.703 202 1HD LYS 45 2HD LYS 45 13.293 2.465 9.911 203 2HD LYS 45 1HD LYS 45 11.737 1.795 10.408 204 1HE LYS 45 2HE LYS 45 12.642 -0.480 9.988 205 2HE LYS 45 1HE LYS 45 14.208 0.250 9.636 206 1HZ LYS 45 1HZ LYS 45 14.219 1.167 11.893 207 2HZ LYS 45 2HZ LYS 45 14.134 -0.528 11.901 208 3HZ LYS 45 3HZ LYS 45 12.746 0.390 12.215 209 H ASN 46 H ASN 46 8.690 2.159 7.916 210 HA ASN 46 HA ASN 46 8.563 -0.619 7.582 211 1HB ASN 46 2HB ASN 46 6.301 1.289 8.236 212 2HB ASN 46 1HB ASN 46 6.271 -0.452 8.473 213 1HD2 ASN 46 1HD2 ASN 46 5.925 -0.308 10.660 214 2HD2 ASN 46 2HD2 ASN 46 7.131 0.233 11.768 215 H PHE 47 H PHE 47 7.110 2.037 5.821 216 HA PHE 47 HA PHE 47 5.318 0.600 4.221 217 1HB PHE 47 2HB PHE 47 5.384 3.080 4.513 218 2HB PHE 47 1HB PHE 47 6.816 3.126 3.494 219 HD1 PHE 47 HD1 PHE 47 6.633 3.156 1.153 220 HD2 PHE 47 HD2 PHE 47 3.222 2.269 3.541 221 HE1 PHE 47 HE1 PHE 47 5.191 3.333 -0.833 222 HE2 PHE 47 HE2 PHE 47 1.780 2.446 1.561 223 HZ PHE 47 HZ PHE 47 2.762 2.976 -0.628 224 H ASP 48 H ASP 48 8.690 1.563 3.593 225 HA ASP 48 HA ASP 48 8.929 0.533 1.006 226 1HB ASP 48 2HB ASP 48 10.620 2.000 1.952 227 2HB ASP 48 1HB ASP 48 11.020 0.801 3.175 228 H LYS 49 H LYS 49 9.279 -1.017 4.130 229 HA LYS 49 HA LYS 49 10.433 -3.405 3.026 230 1HB LYS 49 2HB LYS 49 9.231 -3.168 5.784 231 2HB LYS 49 1HB LYS 49 10.452 -4.301 5.233 232 1HG LYS 49 2HG LYS 49 10.719 -1.466 6.072 233 2HG LYS 49 1HG LYS 49 11.731 -2.855 6.445 234 1HD LYS 49 2HD LYS 49 11.642 -1.388 3.809 235 2HD LYS 49 1HD LYS 49 12.897 -1.235 5.033 236 1HE LYS 49 2HE LYS 49 13.534 -3.548 4.708 237 2HE LYS 49 1HE LYS 49 12.213 -3.777 3.562 238 1HZ LYS 49 1HZ LYS 49 14.260 -3.415 2.373 239 2HZ LYS 49 2HZ LYS 49 14.555 -1.981 3.224 240 3HZ LYS 49 3HZ LYS 49 13.250 -2.066 2.146 241 H TRP 50 H TRP 50 7.340 -2.449 4.390 242 HA TRP 50 HA TRP 50 5.854 -4.749 4.008 243 1HB TRP 50 2HB TRP 50 4.866 -2.955 5.193 244 2HB TRP 50 1HB TRP 50 5.170 -1.814 3.890 245 HD1 TRP 50 HD1 TRP 50 3.223 -1.384 2.255 246 HE1 TRP 50 HE1 TRP 50 0.903 -2.421 1.873 247 HE3 TRP 50 HE3 TRP 50 3.602 -5.418 5.381 248 HZ2 TRP 50 HZ2 TRP 50 -0.576 -4.639 2.779 249 HZ3 TRP 50 HZ3 TRP 50 1.679 -6.940 5.567 250 HH2 TRP 50 HH2 TRP 50 -0.362 -6.556 4.291 251 H LEU 51 H LEU 51 6.704 -2.199 1.712 252 HA LEU 51 HA LEU 51 4.988 -3.184 -0.361 253 1HB LEU 51 2HB LEU 51 6.893 -1.005 -0.010 254 2HB LEU 51 1HB LEU 51 6.899 -1.668 -1.632 255 HG LEU 51 HG LEU 51 5.391 0.240 -1.468 256 1HD1 LEU 51 1HD1 LEU 51 3.929 -2.376 -1.791 257 2HD1 LEU 51 2HD1 LEU 51 4.822 -1.517 -3.047 258 3HD1 LEU 51 3HD1 LEU 51 3.362 -0.806 -2.359 259 1HD2 LEU 51 1HD2 LEU 51 3.380 0.130 -0.098 260 2HD2 LEU 51 2HD2 LEU 51 4.836 0.057 0.896 261 3HD2 LEU 51 3HD2 LEU 51 3.914 -1.411 0.571 262 H LYS 52 H LYS 52 8.462 -3.438 0.263 263 HA LYS 52 HA LYS 52 9.028 -4.882 -2.118 264 1HB LYS 52 2HB LYS 52 10.831 -3.708 -1.177 265 2HB LYS 52 1HB LYS 52 10.542 -4.366 0.425 266 1HG LYS 52 2HG LYS 52 11.408 -6.486 -0.193 267 2HG LYS 52 1HG LYS 52 11.445 -6.042 -1.899 268 1HD LYS 52 2HD LYS 52 13.032 -4.543 0.167 269 2HD LYS 52 1HD LYS 52 13.656 -5.993 -0.624 270 1HE LYS 52 2HE LYS 52 12.697 -3.522 -2.062 271 2HE LYS 52 1HE LYS 52 14.387 -3.896 -1.716 272 1HZ LYS 52 1HZ LYS 52 14.193 -5.895 -3.041 273 2HZ LYS 52 2HZ LYS 52 13.761 -4.542 -3.971 274 3HZ LYS 52 3HZ LYS 52 12.558 -5.573 -3.358 275 H ASP 53 H ASP 53 8.414 -5.868 1.230 276 HA ASP 53 HA ASP 53 9.102 -8.594 0.830 277 1HB ASP 53 2HB ASP 53 9.093 -7.542 3.050 278 2HB ASP 53 1HB ASP 53 7.346 -7.351 2.954 279 H ALA 54 H ALA 54 6.027 -6.845 0.752 280 HA ALA 54 HA ALA 54 4.351 -9.071 0.373 281 1HB ALA 54 1HB ALA 54 3.517 -6.846 0.986 282 2HB ALA 54 2HB ALA 54 2.693 -7.490 -0.434 283 3HB ALA 54 3HB ALA 54 3.937 -6.254 -0.622 284 H GLY 55 H GLY 55 6.401 -7.301 -1.804 285 1HA GLY 55 2HA GLY 55 7.209 -8.161 -3.839 286 2HA GLY 55 1HA GLY 55 5.858 -9.286 -3.873 287 H VAL 56 H VAL 56 5.407 -5.910 -3.219 288 HA VAL 56 HA VAL 56 3.946 -5.671 -5.756 289 HB VAL 56 HB VAL 56 3.764 -3.894 -3.315 290 1HG1 VAL 56 1HG1 VAL 56 3.129 -2.759 -5.366 291 2HG1 VAL 56 2HG1 VAL 56 1.706 -3.063 -4.365 292 3HG1 VAL 56 3HG1 VAL 56 2.027 -4.073 -5.774 293 1HG2 VAL 56 1HG2 VAL 56 2.981 -6.135 -2.785 294 2HG2 VAL 56 2HG2 VAL 56 1.937 -6.125 -4.206 295 3HG2 VAL 56 3HG2 VAL 56 1.623 -5.013 -2.873 296 H LEU 57 H LEU 57 6.346 -4.092 -3.707 297 HA LEU 57 HA LEU 57 6.974 -2.267 -5.917 298 1HB LEU 57 2HB LEU 57 6.429 -1.158 -3.827 299 2HB LEU 57 1HB LEU 57 7.641 -2.096 -2.982 300 HG LEU 57 HG LEU 57 8.660 -0.467 -5.226 301 1HD1 LEU 57 1HD1 LEU 57 8.604 1.601 -3.934 302 2HD1 LEU 57 2HD1 LEU 57 7.657 0.803 -2.679 303 3HD1 LEU 57 3HD1 LEU 57 6.969 1.040 -4.286 304 1HD2 LEU 57 1HD2 LEU 57 10.103 -1.773 -3.719 305 2HD2 LEU 57 2HD2 LEU 57 9.512 -0.826 -2.353 306 3HD2 LEU 57 3HD2 LEU 57 10.446 -0.045 -3.629 307 H ASP 58 H ASP 58 8.923 -2.222 -6.821 308 HA ASP 58 HA ASP 58 10.874 -2.981 -7.637 309 1HB ASP 58 2HB ASP 58 11.711 -2.427 -5.334 310 2HB ASP 58 1HB ASP 58 11.446 -4.114 -4.894 311 H ASN 59 H ASN 59 10.443 -4.420 -9.090 312 HA ASN 59 HA ASN 59 10.426 -7.240 -8.448 313 1HB ASN 59 2HB ASN 59 8.090 -6.841 -8.108 314 2HB ASN 59 1HB ASN 59 7.985 -5.830 -9.544 315 1HD2 ASN 59 1HD2 ASN 59 8.162 -9.083 -8.327 316 2HD2 ASN 59 2HD2 ASN 59 7.688 -9.867 -9.803 317 H LYS 60 H LYS 60 9.733 -4.820 -10.936 318 HA LYS 60 HA LYS 60 11.874 -5.635 -12.596 319 1HB LYS 60 2HB LYS 60 10.312 -7.515 -13.043 320 2HB LYS 60 1HB LYS 60 9.113 -6.359 -13.594 321 1HG LYS 60 2HG LYS 60 10.635 -5.650 -15.387 322 2HG LYS 60 1HG LYS 60 11.800 -6.864 -14.848 323 1HD LYS 60 2HD LYS 60 10.191 -8.631 -15.301 324 2HD LYS 60 1HD LYS 60 8.995 -7.432 -15.800 325 1HE LYS 60 2HE LYS 60 10.512 -6.717 -17.606 326 2HE LYS 60 1HE LYS 60 11.650 -7.973 -17.123 327 1HZ LYS 60 1HZ LYS 60 9.980 -9.638 -17.625 328 2HZ LYS 60 2HZ LYS 60 10.278 -8.674 -18.987 329 3HZ LYS 60 3HZ LYS 60 8.874 -8.431 -18.073 330 H ALA 61 H ALA 61 8.569 -4.419 -13.075 331 HA ALA 61 HA ALA 61 9.508 -2.339 -14.837 332 1HB ALA 61 1HB ALA 61 6.730 -2.823 -13.767 333 2HB ALA 61 2HB ALA 61 7.390 -3.532 -15.240 334 3HB ALA 61 3HB ALA 61 7.166 -1.786 -15.126 335 H ILE 62 H ILE 62 9.778 -2.498 -11.658 336 HA ILE 62 HA ILE 62 8.627 0.063 -10.932 337 HB ILE 62 HB ILE 62 10.268 -1.896 -9.324 338 1HG1 ILE 62 2HG1 ILE 62 8.067 -2.756 -9.946 339 2HG1 ILE 62 1HG1 ILE 62 8.135 -2.415 -8.220 340 1HG2 ILE 62 1HG2 ILE 62 9.550 -0.595 -7.363 341 2HG2 ILE 62 2HG2 ILE 62 8.833 0.604 -8.440 342 3HG2 ILE 62 3HG2 ILE 62 10.579 0.336 -8.453 343 1HD1 ILE 62 1HD1 ILE 62 6.818 -0.725 -10.337 344 2HD1 ILE 62 2HD1 ILE 62 6.949 -0.292 -8.633 345 3HD1 ILE 62 3HD1 ILE 62 6.014 -1.709 -9.113 346 H THR 63 H THR 63 9.661 1.858 -11.392 347 HA THR 63 HA THR 63 12.608 1.908 -11.292 348 HB THR 63 HB THR 63 12.638 3.506 -13.101 349 HG1 THR 63 HG1 THR 63 10.104 3.493 -13.956 350 1HG2 THR 63 1HG2 THR 63 10.805 1.201 -13.757 351 2HG2 THR 63 2HG2 THR 63 12.568 1.179 -13.789 352 3HG2 THR 63 3HG2 THR 63 11.677 2.176 -14.940 353 H GLY 64 H GLY 64 13.502 4.068 -10.793 354 1HA GLY 64 2HA GLY 64 12.135 5.401 -8.675 355 2HA GLY 64 1HA GLY 64 13.602 5.957 -9.472 356 H THR 65 H THR 65 12.039 5.693 -12.072 357 HA THR 65 HA THR 65 11.224 8.405 -12.278 358 HB THR 65 HB THR 65 10.724 6.115 -14.190 359 HG1 THR 65 HG1 THR 65 12.990 7.567 -13.521 360 1HG2 THR 65 1HG2 THR 65 10.854 9.091 -14.685 361 2HG2 THR 65 2HG2 THR 65 9.382 8.120 -14.662 362 3HG2 THR 65 3HG2 THR 65 10.599 7.841 -15.905 363 H MET 66 H MET 66 9.383 5.350 -12.576 364 HA MET 66 HA MET 66 6.851 6.611 -12.632 365 1HB MET 66 2HB MET 66 7.738 3.788 -12.131 366 2HB MET 66 1HB MET 66 6.052 4.237 -11.928 367 1HG MET 66 2HG MET 66 6.345 3.291 -14.095 368 2HG MET 66 1HG MET 66 6.022 5.012 -14.273 369 1HE MET 66 1HE MET 66 8.415 4.190 -17.283 370 2HE MET 66 2HE MET 66 6.832 4.799 -16.798 371 3HE MET 66 3HE MET 66 7.227 3.095 -16.573 372 H THR 67 H THR 67 8.677 5.071 -10.014 373 HA THR 67 HA THR 67 6.608 5.310 -8.094 374 HB THR 67 HB THR 67 8.329 4.734 -6.433 375 HG1 THR 67 HG1 THR 67 10.279 4.484 -8.430 376 1HG2 THR 67 1HG2 THR 67 8.531 3.142 -8.996 377 2HG2 THR 67 2HG2 THR 67 7.304 2.940 -7.745 378 3HG2 THR 67 3HG2 THR 67 8.991 2.564 -7.393 379 H GLY 68 H GLY 68 9.370 7.324 -8.949 380 1HA GLY 68 2HA GLY 68 9.369 9.099 -6.806 381 2HA GLY 68 1HA GLY 68 9.904 9.490 -8.433 382 H ILE 69 H ILE 69 7.590 9.309 -9.867 383 HA ILE 69 HA ILE 69 6.317 11.757 -9.402 384 HB ILE 69 HB ILE 69 5.270 9.389 -10.963 385 1HG1 ILE 69 2HG1 ILE 69 6.848 11.791 -11.904 386 2HG1 ILE 69 1HG1 ILE 69 7.523 10.184 -11.660 387 1HG2 ILE 69 1HG2 ILE 69 3.517 11.008 -10.483 388 2HG2 ILE 69 2HG2 ILE 69 3.947 11.056 -12.193 389 3HG2 ILE 69 3HG2 ILE 69 4.531 12.312 -11.101 390 1HD1 ILE 69 1HD1 ILE 69 6.056 9.300 -13.394 391 2HD1 ILE 69 2HD1 ILE 69 7.070 10.609 -14.006 392 3HD1 ILE 69 3HD1 ILE 69 5.372 10.907 -13.635 393 H ALA 70 H ALA 70 5.308 8.446 -8.648 394 HA ALA 70 HA ALA 70 2.789 8.989 -7.571 395 1HB ALA 70 1HB ALA 70 4.731 6.801 -6.827 396 2HB ALA 70 2HB ALA 70 3.517 6.732 -8.106 397 3HB ALA 70 3HB ALA 70 3.016 6.828 -6.418 398 H PHE 71 H PHE 71 5.901 8.569 -5.888 399 HA PHE 71 HA PHE 71 4.961 9.163 -3.326 400 1HB PHE 71 2HB PHE 71 7.702 9.296 -4.549 401 2HB PHE 71 1HB PHE 71 7.423 9.779 -2.879 402 HD1 PHE 71 HD1 PHE 71 6.205 8.056 -1.384 403 HD2 PHE 71 HD2 PHE 71 8.153 7.073 -5.034 404 HE1 PHE 71 HE1 PHE 71 6.370 5.714 -0.655 405 HE2 PHE 71 HE2 PHE 71 8.323 4.724 -4.312 406 HZ PHE 71 HZ PHE 71 7.428 4.043 -2.119 407 H SER 72 H SER 72 6.303 11.312 -5.807 408 HA SER 72 HA SER 72 6.485 13.637 -4.303 409 1HB SER 72 2HB SER 72 5.798 13.347 -7.232 410 2HB SER 72 1HB SER 72 6.360 14.825 -6.457 411 HG SER 72 HG SER 72 7.759 12.398 -6.858 412 H LYS 73 H LYS 73 3.648 12.220 -5.886 413 HA LYS 73 HA LYS 73 1.996 14.504 -5.309 414 1HB LYS 73 2HB LYS 73 1.486 11.773 -6.431 415 2HB LYS 73 1HB LYS 73 0.142 12.792 -5.935 416 1HG LYS 73 2HG LYS 73 1.001 14.564 -7.443 417 2HG LYS 73 1HG LYS 73 2.231 13.428 -8.003 418 1HD LYS 73 2HD LYS 73 0.653 12.041 -9.023 419 2HD LYS 73 1HD LYS 73 -0.687 12.736 -8.107 420 1HE LYS 73 2HE LYS 73 0.910 14.131 -10.256 421 2HE LYS 73 1HE LYS 73 -0.725 13.494 -10.425 422 1HZ LYS 73 1HZ LYS 73 -1.375 15.026 -8.587 423 2HZ LYS 73 2HZ LYS 73 -0.905 15.808 -10.014 424 3HZ LYS 73 3HZ LYS 73 0.160 15.738 -8.698 425 H VAL 74 H VAL 74 2.588 11.367 -3.862 426 HA VAL 74 HA VAL 74 0.645 11.457 -1.802 427 HB VAL 74 HB VAL 74 3.368 10.136 -1.908 428 1HG1 VAL 74 1HG1 VAL 74 2.639 10.349 0.386 429 2HG1 VAL 74 2HG1 VAL 74 2.514 8.669 -0.142 430 3HG1 VAL 74 3HG1 VAL 74 1.066 9.669 -0.030 431 1HG2 VAL 74 1HG2 VAL 74 1.870 9.404 -3.671 432 2HG2 VAL 74 2HG2 VAL 74 0.610 9.070 -2.483 433 3HG2 VAL 74 3HG2 VAL 74 2.099 8.125 -2.479 434 H THR 75 H THR 75 4.150 11.928 -1.485 435 HA THR 75 HA THR 75 4.075 14.467 -0.341 436 HB THR 75 HB THR 75 3.055 13.585 1.622 437 HG1 THR 75 HG1 THR 75 5.849 13.715 2.194 438 1HG2 THR 75 1HG2 THR 75 3.934 11.706 2.905 439 2HG2 THR 75 2HG2 THR 75 5.206 11.466 1.709 440 3HG2 THR 75 3HG2 THR 75 3.520 11.202 1.266 441 H GLY 76 H GLY 76 5.813 14.916 -1.549 442 1HA GLY 76 2HA GLY 76 8.090 13.296 -1.901 443 2HA GLY 76 1HA GLY 76 8.025 15.037 -2.150 444 HA PRO 77 HA PRO 77 10.148 15.565 1.748 445 1HB PRO 77 2HB PRO 77 8.819 17.429 3.144 446 2HB PRO 77 1HB PRO 77 9.633 17.815 1.622 447 1HG PRO 77 2HG PRO 77 6.731 17.304 2.141 448 2HG PRO 77 1HG PRO 77 7.485 18.545 1.122 449 1HD PRO 77 2HD PRO 77 6.438 16.203 0.157 450 2HD PRO 77 1HD PRO 77 7.731 17.117 -0.644 451 H LYS 78 H LYS 78 9.593 15.935 4.306 452 HA LYS 78 HA LYS 78 8.423 13.400 5.061 453 1HB LYS 78 2HB LYS 78 9.992 15.492 6.538 454 2HB LYS 78 1HB LYS 78 9.159 14.210 7.409 455 1HG LYS 78 2HG LYS 78 11.443 13.568 7.078 456 2HG LYS 78 1HG LYS 78 10.418 12.543 6.072 457 1HD LYS 78 2HD LYS 78 10.913 14.114 4.168 458 2HD LYS 78 1HD LYS 78 12.115 14.876 5.210 459 1HE LYS 78 2HE LYS 78 13.223 12.670 5.455 460 2HE LYS 78 1HE LYS 78 12.070 12.005 4.297 461 1HZ LYS 78 1HZ LYS 78 14.045 14.163 3.783 462 2HZ LYS 78 2HZ LYS 78 12.875 13.642 2.670 463 3HZ LYS 78 3HZ LYS 78 14.095 12.579 3.171 464 H LYS 79 H LYS 79 7.283 16.495 4.695 465 HA LYS 79 HA LYS 79 5.648 17.116 6.770 466 1HB LYS 79 2HB LYS 79 5.947 18.567 4.884 467 2HB LYS 79 1HB LYS 79 5.164 17.422 3.810 468 1HG LYS 79 2HG LYS 79 3.545 18.405 6.075 469 2HG LYS 79 1HG LYS 79 3.942 19.576 4.810 470 1HD LYS 79 2HD LYS 79 3.004 18.140 3.124 471 2HD LYS 79 1HD LYS 79 2.735 16.862 4.309 472 1HE LYS 79 2HE LYS 79 1.208 18.448 5.519 473 2HE LYS 79 1HE LYS 79 1.362 19.533 4.133 474 1HZ LYS 79 1HZ LYS 79 -0.612 18.097 4.007 475 2HZ LYS 79 2HZ LYS 79 0.393 16.737 3.980 476 3HZ LYS 79 3HZ LYS 79 0.444 17.851 2.709 477 H LYS 80 H LYS 80 4.948 14.647 4.312 478 HA LYS 80 HA LYS 80 3.604 12.811 4.396 479 1HB LYS 80 2HB LYS 80 2.907 13.744 7.184 480 2HB LYS 80 1HB LYS 80 2.404 12.214 6.480 481 1HG LYS 80 2HG LYS 80 4.696 11.483 6.333 482 2HG LYS 80 1HG LYS 80 5.261 13.052 6.911 483 1HD LYS 80 2HD LYS 80 3.929 12.639 9.004 484 2HD LYS 80 1HD LYS 80 3.673 10.990 8.428 485 1HE LYS 80 2HE LYS 80 5.528 11.016 9.957 486 2HE LYS 80 1HE LYS 80 6.123 10.690 8.328 487 1HZ LYS 80 1HZ LYS 80 6.743 13.034 8.142 488 2HZ LYS 80 2HZ LYS 80 7.527 12.298 9.454 489 3HZ LYS 80 3HZ LYS 80 6.198 13.316 9.723 490 H ALA 81 H ALA 81 1.182 12.175 4.738 491 HA ALA 81 HA ALA 81 -0.462 14.558 4.153 492 1HB ALA 81 1HB ALA 81 0.039 13.413 2.065 493 2HB ALA 81 2HB ALA 81 -1.681 13.317 2.452 494 3HB ALA 81 3HB ALA 81 -0.639 11.919 2.715 495 H THR 82 H THR 82 -1.307 11.118 4.335 496 HA THR 82 HA THR 82 -2.518 10.919 6.774 497 HB THR 82 HB THR 82 -3.865 12.913 6.177 498 HG1 THR 82 HG1 THR 82 -4.763 11.172 7.499 499 1HG2 THR 82 1HG2 THR 82 -3.991 12.676 3.770 500 2HG2 THR 82 2HG2 THR 82 -5.620 12.738 4.444 501 3HG2 THR 82 3HG2 THR 82 -4.935 11.194 3.935 502 H PHE 83 H PHE 83 -5.046 9.670 5.903 503 HA PHE 83 HA PHE 83 -4.123 7.148 5.102 504 1HB PHE 83 2HB PHE 83 -6.492 6.582 4.710 505 2HB PHE 83 1HB PHE 83 -6.268 7.426 6.235 506 HD1 PHE 83 HD1 PHE 83 -7.008 9.760 6.475 507 HD2 PHE 83 HD2 PHE 83 -7.802 7.519 2.948 508 HE1 PHE 83 HE1 PHE 83 -8.732 11.393 5.829 509 HE2 PHE 83 HE2 PHE 83 -9.524 9.148 2.295 510 HZ PHE 83 HZ PHE 83 -9.991 11.089 3.735 511 H ASP 84 H ASP 84 -5.191 9.913 3.245 512 HA ASP 84 HA ASP 84 -5.507 8.701 0.732 513 1HB ASP 84 2HB ASP 84 -6.334 10.936 1.133 514 2HB ASP 84 1HB ASP 84 -4.707 11.524 1.456 515 H GLU 85 H GLU 85 -2.710 9.914 2.395 516 HA GLU 85 HA GLU 85 -0.700 9.840 0.497 517 1HB GLU 85 2HB GLU 85 -0.275 10.658 2.675 518 2HB GLU 85 1HB GLU 85 -0.865 9.199 3.439 519 1HG GLU 85 2HG GLU 85 1.140 8.011 2.624 520 2HG GLU 85 1HG GLU 85 1.733 9.543 1.970 521 H THR 86 H THR 86 -1.816 7.175 2.601 522 HA THR 86 HA THR 86 -0.052 5.244 1.558 523 HB THR 86 HB THR 86 -2.687 4.622 2.875 524 HG1 THR 86 HG1 THR 86 -0.421 5.913 3.898 525 1HG2 THR 86 1HG2 THR 86 -1.381 2.714 2.067 526 2HG2 THR 86 2HG2 THR 86 -1.412 2.750 3.830 527 3HG2 THR 86 3HG2 THR 86 0.025 3.290 2.959 528 H LYS 87 H LYS 87 -3.526 5.822 0.931 529 HA LYS 87 HA LYS 87 -3.845 3.675 -0.861 530 1HB LYS 87 2HB LYS 87 -5.828 5.079 -1.725 531 2HB LYS 87 1HB LYS 87 -5.860 4.533 -0.053 532 1HG LYS 87 2HG LYS 87 -5.540 6.632 0.785 533 2HG LYS 87 1HG LYS 87 -4.704 7.200 -0.656 534 1HD LYS 87 2HD LYS 87 -7.643 6.558 -0.603 535 2HD LYS 87 1HD LYS 87 -6.995 8.164 -0.262 536 1HE LYS 87 2HE LYS 87 -5.727 7.592 -2.580 537 2HE LYS 87 1HE LYS 87 -7.240 6.717 -2.815 538 1HZ LYS 87 1HZ LYS 87 -6.928 9.611 -2.207 539 2HZ LYS 87 2HZ LYS 87 -8.422 8.801 -2.260 540 3HZ LYS 87 3HZ LYS 87 -7.478 8.925 -3.662 541 H LYS 88 H LYS 88 -2.805 7.007 -1.382 542 HA LYS 88 HA LYS 88 -2.991 7.060 -4.172 543 1HB LYS 88 2HB LYS 88 -1.524 8.601 -2.130 544 2HB LYS 88 1HB LYS 88 -0.813 8.621 -3.737 545 1HG LYS 88 2HG LYS 88 -2.954 9.407 -4.654 546 2HG LYS 88 1HG LYS 88 -3.619 9.437 -3.018 547 1HD LYS 88 2HD LYS 88 -2.087 11.135 -2.342 548 2HD LYS 88 1HD LYS 88 -1.158 10.975 -3.831 549 1HE LYS 88 2HE LYS 88 -2.574 12.973 -3.851 550 2HE LYS 88 1HE LYS 88 -3.025 11.839 -5.121 551 1HZ LYS 88 1HZ LYS 88 -4.411 11.910 -2.502 552 2HZ LYS 88 2HZ LYS 88 -4.937 11.198 -3.953 553 3HZ LYS 88 3HZ LYS 88 -4.891 12.882 -3.807 554 H VAL 89 H VAL 89 -0.217 6.140 -2.106 555 HA VAL 89 HA VAL 89 1.567 5.633 -4.206 556 HB VAL 89 HB VAL 89 1.602 4.002 -1.680 557 1HG1 VAL 89 1HG1 VAL 89 4.014 4.092 -2.003 558 2HG1 VAL 89 2HG1 VAL 89 3.792 5.097 -3.436 559 3HG1 VAL 89 3HG1 VAL 89 3.206 3.433 -3.425 560 1HG2 VAL 89 1HG2 VAL 89 2.885 5.784 -0.618 561 2HG2 VAL 89 2HG2 VAL 89 1.242 6.300 -1.001 562 3HG2 VAL 89 3HG2 VAL 89 2.589 6.826 -2.011 563 H LEU 90 H LEU 90 -0.598 3.395 -2.499 564 HA LEU 90 HA LEU 90 0.164 1.081 -3.904 565 1HB LEU 90 2HB LEU 90 -2.141 1.854 -2.193 566 2HB LEU 90 1HB LEU 90 -2.318 0.421 -3.185 567 HG LEU 90 HG LEU 90 -1.603 -0.206 -0.967 568 1HD1 LEU 90 1HD1 LEU 90 0.386 -1.491 -1.512 569 2HD1 LEU 90 2HD1 LEU 90 0.655 -0.493 -2.941 570 3HD1 LEU 90 3HD1 LEU 90 -0.773 -1.522 -2.841 571 1HD2 LEU 90 1HD2 LEU 90 -0.534 1.840 -0.253 572 2HD2 LEU 90 2HD2 LEU 90 0.760 1.611 -1.430 573 3HD2 LEU 90 3HD2 LEU 90 0.588 0.489 -0.080 574 H ALA 91 H ALA 91 -2.222 3.557 -4.614 575 HA ALA 91 HA ALA 91 -3.488 2.114 -6.707 576 1HB ALA 91 1HB ALA 91 -3.419 5.088 -6.223 577 2HB ALA 91 2HB ALA 91 -4.604 3.959 -5.563 578 3HB ALA 91 3HB ALA 91 -4.524 4.237 -7.304 579 H PHE 92 H PHE 92 -0.967 4.638 -6.684 580 HA PHE 92 HA PHE 92 -0.780 4.879 -9.479 581 1HB PHE 92 2HB PHE 92 1.132 5.553 -7.260 582 2HB PHE 92 1HB PHE 92 1.556 5.808 -8.949 583 HD1 PHE 92 HD1 PHE 92 -0.551 6.981 -10.272 584 HD2 PHE 92 HD2 PHE 92 0.458 7.444 -6.166 585 HE1 PHE 92 HE1 PHE 92 -1.691 9.162 -10.242 586 HE2 PHE 92 HE2 PHE 92 -0.675 9.625 -6.126 587 HZ PHE 92 HZ PHE 92 -1.754 10.487 -8.165 588 H VAL 93 H VAL 93 1.098 2.848 -7.226 589 HA VAL 93 HA VAL 93 2.866 1.884 -9.196 590 HB VAL 93 HB VAL 93 3.378 0.061 -7.605 591 1HG1 VAL 93 1HG1 VAL 93 4.548 2.188 -7.478 592 2HG1 VAL 93 2HG1 VAL 93 4.333 1.499 -5.869 593 3HG1 VAL 93 3HG1 VAL 93 3.298 2.822 -6.408 594 1HG2 VAL 93 1HG2 VAL 93 2.384 0.041 -5.385 595 2HG2 VAL 93 2HG2 VAL 93 1.156 -0.232 -6.623 596 3HG2 VAL 93 3HG2 VAL 93 1.297 1.348 -5.852 597 H ALA 94 H ALA 94 -0.144 0.535 -7.879 598 HA ALA 94 HA ALA 94 -0.165 -1.798 -9.452 599 1HB ALA 94 1HB ALA 94 -2.538 -1.923 -8.923 600 2HB ALA 94 2HB ALA 94 -2.510 -0.254 -8.356 601 3HB ALA 94 3HB ALA 94 -1.598 -1.492 -7.493 602 H GLU 95 H GLU 95 -1.381 1.465 -10.020 603 HA GLU 95 HA GLU 95 -2.848 0.955 -12.346 604 1HB GLU 95 2HB GLU 95 -2.956 3.066 -11.023 605 2HB GLU 95 1HB GLU 95 -1.377 3.508 -11.663 606 1HG GLU 95 2HG GLU 95 -2.278 3.527 -13.918 607 2HG GLU 95 1HG GLU 95 -3.854 3.032 -13.306 608 H ASP 96 H ASP 96 0.503 2.176 -12.036 609 HA ASP 96 HA ASP 96 1.034 2.383 -14.763 610 1HB ASP 96 2HB ASP 96 2.524 3.336 -13.084 611 2HB ASP 96 1HB ASP 96 2.970 1.724 -12.534 612 H ARG 97 H ARG 97 1.659 -0.346 -12.591 613 HA ARG 97 HA ARG 97 2.853 -2.028 -14.500 614 1HB ARG 97 2HB ARG 97 2.934 -2.305 -12.005 615 2HB ARG 97 1HB ARG 97 1.269 -2.852 -12.058 616 1HG ARG 97 2HG ARG 97 3.446 -4.252 -13.582 617 2HG ARG 97 1HG ARG 97 3.087 -4.624 -11.897 618 1HD ARG 97 2HD ARG 97 0.741 -5.098 -12.561 619 2HD ARG 97 1HD ARG 97 1.204 -4.852 -14.242 620 HE ARG 97 HE ARG 97 2.460 -6.942 -12.585 621 1HH1 ARG 97 1HH1 ARG 97 0.766 -5.933 -15.484 622 2HH1 ARG 97 2HH1 ARG 97 0.873 -7.491 -16.241 623 1HH2 ARG 97 1HH2 ARG 97 2.600 -8.999 -13.604 624 2HH2 ARG 97 2HH2 ARG 97 1.889 -9.218 -15.174 625 H ALA 98 H ALA 98 -0.523 -1.771 -13.409 626 HA ALA 98 HA ALA 98 -1.381 -3.973 -15.025 627 1HB ALA 98 1HB ALA 98 -3.616 -3.397 -14.274 628 2HB ALA 98 2HB ALA 98 -3.022 -1.865 -13.630 629 3HB ALA 98 3HB ALA 98 -2.483 -3.390 -12.923 630 H ARG 99 H ARG 99 -1.525 -0.462 -15.331 631 HA ARG 99 HA ARG 99 -3.318 -0.388 -17.505 632 1HB ARG 99 2HB ARG 99 -3.065 1.562 -16.175 633 2HB ARG 99 1HB ARG 99 -1.328 1.604 -16.439 634 1HG ARG 99 2HG ARG 99 -1.812 2.021 -18.866 635 2HG ARG 99 1HG ARG 99 -3.505 2.221 -18.412 636 1HD ARG 99 2HD ARG 99 -2.972 4.083 -17.002 637 2HD ARG 99 1HD ARG 99 -1.241 3.813 -17.220 638 HE ARG 99 HE ARG 99 -2.927 4.457 -19.538 639 1HH1 ARG 99 1HH1 ARG 99 -0.398 5.395 -17.302 640 2HH1 ARG 99 2HH1 ARG 99 0.278 6.587 -18.368 641 1HH2 ARG 99 1HH2 ARG 99 -2.076 6.034 -20.921 642 2HH2 ARG 99 2HH2 ARG 99 -0.701 6.977 -20.418 643 H GLN 100 H GLN 100 0.255 -0.191 -17.431 644 HA GLN 100 HA GLN 100 0.388 0.219 -20.262 645 1HB GLN 100 2HB GLN 100 2.748 0.228 -20.037 646 2HB GLN 100 1HB GLN 100 2.111 1.017 -18.602 647 1HG GLN 100 2HG GLN 100 2.502 -0.946 -17.281 648 2HG GLN 100 1HG GLN 100 2.986 -1.857 -18.712 649 1HE2 GLN 100 1HE2 GLN 100 3.903 0.578 -16.415 650 2HE2 GLN 100 2HE2 GLN 100 5.581 0.627 -16.838 651 H SER 101 H SER 101 0.138 -2.549 -18.276 652 HA SER 101 HA SER 101 1.202 -4.320 -20.331 653 1HB SER 101 2HB SER 101 1.713 -4.704 -17.905 654 2HB SER 101 1HB SER 101 0.002 -5.044 -17.647 655 HG SER 101 HG SER 101 0.164 -6.850 -18.931 656 H LYS 102 H LYS 102 -1.816 -4.087 -18.427 657 HA LYS 102 HA LYS 102 -3.213 -5.394 -20.650 658 1HB LYS 102 2HB LYS 102 -3.482 -6.412 -18.422 659 2HB LYS 102 1HB LYS 102 -4.117 -4.894 -17.805 660 1HG LYS 102 2HG LYS 102 -6.016 -5.091 -19.373 661 2HG LYS 102 1HG LYS 102 -5.389 -6.662 -19.882 662 1HD LYS 102 2HD LYS 102 -5.683 -7.567 -17.685 663 2HD LYS 102 1HD LYS 102 -6.087 -5.978 -17.030 664 1HE LYS 102 2HE LYS 102 -8.074 -5.939 -18.522 665 2HE LYS 102 1HE LYS 102 -7.694 -7.595 -18.998 666 1HZ LYS 102 1HZ LYS 102 -8.188 -6.752 -16.191 667 2HZ LYS 102 2HZ LYS 102 -8.046 -8.340 -16.777 668 3HZ LYS 102 3HZ LYS 102 -9.384 -7.394 -17.207 669 H LYS 103 H LYS 103 -4.335 -3.075 -18.223 670 HA LYS 103 HA LYS 103 -4.459 -0.723 -19.540 671 1HB LYS 103 2HB LYS 103 -6.490 -2.526 -20.648 672 2HB LYS 103 1HB LYS 103 -7.157 -1.008 -20.064 673 1HG LYS 103 2HG LYS 103 -5.814 0.261 -21.532 674 2HG LYS 103 1HG LYS 103 -4.803 -1.130 -21.926 675 1HD LYS 103 2HD LYS 103 -6.784 -2.207 -22.961 676 2HD LYS 103 1HD LYS 103 -7.698 -0.726 -22.663 677 1HE LYS 103 2HE LYS 103 -6.224 0.530 -24.086 678 2HE LYS 103 1HE LYS 103 -5.157 -0.861 -24.278 679 1HZ LYS 103 1HZ LYS 103 -7.929 -0.584 -25.301 680 2HZ LYS 103 2HZ LYS 103 -7.048 -2.031 -25.340 681 3HZ LYS 103 3HZ LYS 103 -6.500 -0.683 -26.211 682 HA PRO 104 HA PRO 104 -7.867 -0.598 -16.119 683 1HB PRO 104 2HB PRO 104 -8.209 -3.376 -15.239 684 2HB PRO 104 1HB PRO 104 -9.435 -2.188 -15.686 685 1HG PRO 104 2HG PRO 104 -8.897 -4.310 -17.236 686 2HG PRO 104 1HG PRO 104 -9.337 -2.735 -17.927 687 1HD PRO 104 2HD PRO 104 -6.622 -3.979 -17.623 688 2HD PRO 104 1HD PRO 104 -7.315 -3.116 -19.015 689 H ILE 105 H ILE 105 -7.525 -0.329 -13.926 690 HA ILE 105 HA ILE 105 -4.919 -1.176 -12.957 691 HB ILE 105 HB ILE 105 -5.341 1.150 -12.683 692 1HG1 ILE 105 2HG1 ILE 105 -5.664 -0.270 -10.028 693 2HG1 ILE 105 1HG1 ILE 105 -4.146 0.117 -10.828 694 1HG2 ILE 105 1HG2 ILE 105 -7.241 2.022 -11.377 695 2HG2 ILE 105 2HG2 ILE 105 -7.885 0.384 -11.264 696 3HG2 ILE 105 3HG2 ILE 105 -7.745 1.168 -12.837 697 1HD1 ILE 105 1HD1 ILE 105 -4.573 1.656 -9.018 698 2HD1 ILE 105 2HD1 ILE 105 -6.127 2.095 -9.727 699 3HD1 ILE 105 3HD1 ILE 105 -4.629 2.503 -10.565 700 H GLN 106 H GLN 106 -8.320 -1.587 -12.190 701 HA GLN 106 HA GLN 106 -8.254 -2.403 -9.568 702 1HB GLN 106 2HB GLN 106 -10.172 -2.156 -11.475 703 2HB GLN 106 1HB GLN 106 -10.129 -3.901 -11.283 704 1HG GLN 106 2HG GLN 106 -10.494 -1.969 -9.006 705 2HG GLN 106 1HG GLN 106 -11.820 -2.718 -9.885 706 1HE2 GLN 106 1HE2 GLN 106 -9.306 -3.181 -7.551 707 2HE2 GLN 106 2HE2 GLN 106 -9.778 -4.762 -7.050 708 H ASP 107 H ASP 107 -7.530 -4.328 -12.430 709 HA ASP 107 HA ASP 107 -7.667 -6.894 -11.412 710 1HB ASP 107 2HB ASP 107 -5.776 -5.704 -13.439 711 2HB ASP 107 1HB ASP 107 -5.797 -7.422 -13.060 712 H GLU 108 H GLU 108 -4.868 -4.688 -11.319 713 HA GLU 108 HA GLU 108 -3.244 -6.619 -9.980 714 1HB GLU 108 2HB GLU 108 -2.872 -3.749 -10.717 715 2HB GLU 108 1HB GLU 108 -1.749 -4.523 -9.604 716 1HG GLU 108 2HG GLU 108 -2.371 -5.392 -12.417 717 2HG GLU 108 1HG GLU 108 -0.894 -4.609 -11.859 718 H LEU 109 H LEU 109 -5.189 -3.869 -8.884 719 HA LEU 109 HA LEU 109 -4.161 -3.826 -6.249 720 1HB LEU 109 2HB LEU 109 -5.550 -1.988 -7.082 721 2HB LEU 109 1HB LEU 109 -6.932 -3.069 -7.189 722 HG LEU 109 HG LEU 109 -6.658 -3.449 -4.692 723 1HD1 LEU 109 1HD1 LEU 109 -4.406 -2.627 -4.436 724 2HD1 LEU 109 2HD1 LEU 109 -5.515 -1.679 -3.445 725 3HD1 LEU 109 3HD1 LEU 109 -4.905 -1.019 -4.963 726 1HD2 LEU 109 1HD2 LEU 109 -8.454 -2.101 -5.594 727 2HD2 LEU 109 2HD2 LEU 109 -7.394 -0.692 -5.642 728 3HD2 LEU 109 3HD2 LEU 109 -7.843 -1.408 -4.094 729 H ASP 110 H ASP 110 -6.913 -5.504 -7.715 730 HA ASP 110 HA ASP 110 -7.786 -6.815 -5.386 731 1HB ASP 110 2HB ASP 110 -9.155 -6.693 -7.414 732 2HB ASP 110 1HB ASP 110 -8.000 -7.706 -8.271 733 H ALA 111 H ALA 111 -5.330 -7.603 -7.769 734 HA ALA 111 HA ALA 111 -4.680 -10.176 -6.840 735 1HB ALA 111 1HB ALA 111 -3.907 -9.325 -8.990 736 2HB ALA 111 2HB ALA 111 -2.548 -9.852 -7.997 737 3HB ALA 111 3HB ALA 111 -2.902 -8.132 -8.169 738 H ILE 112 H ILE 112 -3.315 -6.986 -6.029 739 HA ILE 112 HA ILE 112 -1.451 -7.797 -4.110 740 HB ILE 112 HB ILE 112 -3.100 -5.258 -4.127 741 1HG1 ILE 112 2HG1 ILE 112 -0.311 -5.717 -5.204 742 2HG1 ILE 112 1HG1 ILE 112 -1.763 -5.728 -6.203 743 1HG2 ILE 112 1HG2 ILE 112 -1.293 -4.292 -2.790 744 2HG2 ILE 112 2HG2 ILE 112 -0.494 -5.862 -2.733 745 3HG2 ILE 112 3HG2 ILE 112 -2.062 -5.645 -1.959 746 1HD1 ILE 112 1HD1 ILE 112 -0.614 -3.590 -6.325 747 2HD1 ILE 112 2HD1 ILE 112 -0.763 -3.401 -4.578 748 3HD1 ILE 112 3HD1 ILE 112 -2.207 -3.415 -5.589 749 H THR 113 H THR 113 -4.815 -6.811 -3.704 750 HA THR 113 HA THR 113 -5.045 -7.172 -0.945 751 HB THR 113 HB THR 113 -7.277 -7.641 -2.929 752 HG1 THR 113 HG1 THR 113 -6.257 -5.708 -3.539 753 1HG2 THR 113 1HG2 THR 113 -8.661 -6.590 -1.211 754 2HG2 THR 113 2HG2 THR 113 -7.242 -6.384 -0.184 755 3HG2 THR 113 3HG2 THR 113 -7.827 -8.004 -0.565 756 H GLU 114 H GLU 114 -5.588 -9.403 -3.633 757 HA GLU 114 HA GLU 114 -6.437 -11.643 -2.178 758 1HB GLU 114 2HB GLU 114 -6.637 -11.427 -4.610 759 2HB GLU 114 1HB GLU 114 -4.890 -11.506 -4.767 760 1HG GLU 114 2HG GLU 114 -5.004 -13.791 -3.734 761 2HG GLU 114 1HG GLU 114 -6.757 -13.685 -3.886 762 H LYS 115 H LYS 115 -3.193 -10.528 -3.072 763 HA LYS 115 HA LYS 115 -1.692 -12.751 -2.379 764 1HB LYS 115 2HB LYS 115 -0.921 -9.854 -1.970 765 2HB LYS 115 1HB LYS 115 0.192 -11.211 -1.967 766 1HG LYS 115 2HG LYS 115 -0.354 -11.657 -4.312 767 2HG LYS 115 1HG LYS 115 -1.447 -10.271 -4.308 768 1HD LYS 115 2HD LYS 115 0.584 -8.913 -3.538 769 2HD LYS 115 1HD LYS 115 1.545 -10.304 -4.036 770 1HE LYS 115 2HE LYS 115 -0.356 -8.771 -5.800 771 2HE LYS 115 1HE LYS 115 1.393 -8.571 -5.777 772 1HZ LYS 115 1HZ LYS 115 0.602 -10.001 -7.592 773 2HZ LYS 115 2HZ LYS 115 0.001 -11.107 -6.457 774 3HZ LYS 115 3HZ LYS 115 1.667 -10.811 -6.548 775 H LEU 116 H LEU 116 -2.596 -10.000 -0.311 776 HA LEU 116 HA LEU 116 -1.330 -10.899 2.021 777 1HB LEU 116 2HB LEU 116 -3.751 -9.161 1.662 778 2HB LEU 116 1HB LEU 116 -2.957 -9.404 3.203 779 HG LEU 116 HG LEU 116 -1.683 -8.156 0.764 780 1HD1 LEU 116 1HD1 LEU 116 -1.741 -6.086 2.075 781 2HD1 LEU 116 2HD1 LEU 116 -2.649 -6.919 3.336 782 3HD1 LEU 116 3HD1 LEU 116 -3.359 -6.699 1.737 783 1HD2 LEU 116 1HD2 LEU 116 -0.650 -8.536 3.571 784 2HD2 LEU 116 2HD2 LEU 116 0.151 -7.612 2.300 785 3HD2 LEU 116 3HD2 LEU 116 -0.065 -9.354 2.121 786 H ALA 117 H ALA 117 -4.609 -11.482 0.822 787 HA ALA 117 HA ALA 117 -5.569 -12.902 3.054 788 1HB ALA 117 1HB ALA 117 -7.039 -12.066 1.282 789 2HB ALA 117 2HB ALA 117 -7.266 -13.797 1.534 790 3HB ALA 117 3HB ALA 117 -6.336 -13.221 0.150 791 H LYS 118 H LYS 118 -3.792 -13.898 0.192 792 HA LYS 118 HA LYS 118 -3.795 -16.677 0.867 793 1HB LYS 118 2HB LYS 118 -2.282 -15.047 -1.160 794 2HB LYS 118 1HB LYS 118 -2.000 -16.769 -0.942 795 1HG LYS 118 2HG LYS 118 -4.306 -17.250 -1.498 796 2HG LYS 118 1HG LYS 118 -4.648 -15.525 -1.648 797 1HD LYS 118 2HD LYS 118 -3.213 -15.331 -3.540 798 2HD LYS 118 1HD LYS 118 -2.586 -16.965 -3.305 799 1HE LYS 118 2HE LYS 118 -4.777 -17.892 -3.808 800 2HE LYS 118 1HE LYS 118 -5.443 -16.268 -3.982 801 1HZ LYS 118 1HZ LYS 118 -3.241 -17.333 -5.662 802 2HZ LYS 118 2HZ LYS 118 -4.112 -15.889 -5.892 803 3HZ LYS 118 3HZ LYS 118 -4.879 -17.389 -6.103 804 H LEU 119 H LEU 119 -2.000 -13.986 1.927 805 HA LEU 119 HA LEU 119 0.381 -15.456 2.628 806 1HB LEU 119 2HB LEU 119 -0.579 -12.700 3.392 807 2HB LEU 119 1HB LEU 119 0.973 -13.364 3.867 808 HG LEU 119 HG LEU 119 0.069 -12.828 1.035 809 1HD1 LEU 119 1HD1 LEU 119 0.568 -10.793 2.267 810 2HD1 LEU 119 2HD1 LEU 119 1.805 -11.110 1.050 811 3HD1 LEU 119 3HD1 LEU 119 2.131 -11.454 2.750 812 1HD2 LEU 119 1HD2 LEU 119 1.526 -14.783 1.165 813 2HD2 LEU 119 2HD2 LEU 119 2.716 -13.839 2.062 814 3HD2 LEU 119 3HD2 LEU 119 2.341 -13.425 0.389 815 H GLU 120 H GLU 120 -2.114 -16.522 3.609 816 HA GLU 120 HA GLU 120 -2.883 -17.630 5.422 817 1HB GLU 120 2HB GLU 120 -0.154 -16.865 6.354 818 2HB GLU 120 1HB GLU 120 -1.295 -17.481 7.540 819 1HG GLU 120 2HG GLU 120 0.083 -19.268 6.728 820 2HG GLU 120 1HG GLU 120 -1.579 -19.509 6.196 Start of MODEL 8 1 H ASN 18 H ASN 18 1.050 -7.201 10.974 2 HA ASN 18 HA ASN 18 1.090 -7.706 8.270 3 1HB ASN 18 2HB ASN 18 1.993 -9.962 8.931 4 2HB ASN 18 1HB ASN 18 0.482 -10.258 9.787 5 1HD2 ASN 18 1HD2 ASN 18 -0.068 -11.996 8.474 6 2HD2 ASN 18 2HD2 ASN 18 -0.579 -11.793 6.838 7 H TRP 19 H TRP 19 -0.719 -6.738 7.787 8 HA TRP 19 HA TRP 19 -2.906 -6.478 9.543 9 1HB TRP 19 2HB TRP 19 -4.107 -5.570 7.474 10 2HB TRP 19 1HB TRP 19 -2.685 -4.707 8.033 11 HD1 TRP 19 HD1 TRP 19 -1.733 -7.752 6.103 12 HE1 TRP 19 HE1 TRP 19 -0.976 -7.092 3.742 13 HE3 TRP 19 HE3 TRP 19 -3.345 -2.877 6.034 14 HZ2 TRP 19 HZ2 TRP 19 -1.051 -4.822 2.066 15 HZ3 TRP 19 HZ3 TRP 19 -2.959 -1.547 4.012 16 HH2 TRP 19 HH2 TRP 19 -1.838 -2.499 2.067 17 H ASP 20 H ASP 20 -4.894 -7.369 9.573 18 HA ASP 20 HA ASP 20 -5.044 -10.140 8.807 19 1HB ASP 20 2HB ASP 20 -5.836 -9.418 10.997 20 2HB ASP 20 1HB ASP 20 -6.963 -8.291 10.255 21 H ASP 21 H ASP 21 -7.096 -10.996 7.777 22 HA ASP 21 HA ASP 21 -7.637 -10.053 5.242 23 1HB ASP 21 2HB ASP 21 -8.370 -12.258 6.089 24 2HB ASP 21 1HB ASP 21 -9.577 -11.467 7.082 25 H ALA 22 H ALA 22 -9.224 -9.287 8.270 26 HA ALA 22 HA ALA 22 -11.124 -7.511 7.009 27 1HB ALA 22 1HB ALA 22 -11.770 -8.843 8.938 28 2HB ALA 22 2HB ALA 22 -11.893 -7.121 9.302 29 3HB ALA 22 3HB ALA 22 -10.528 -8.058 9.913 30 H ASP 23 H ASP 23 -8.185 -7.289 8.927 31 HA ASP 23 HA ASP 23 -8.317 -4.519 9.439 32 1HB ASP 23 2HB ASP 23 -6.913 -6.112 10.723 33 2HB ASP 23 1HB ASP 23 -5.848 -6.255 9.331 34 H VAL 24 H VAL 24 -6.807 -6.369 6.808 35 HA VAL 24 HA VAL 24 -5.259 -4.366 5.670 36 HB VAL 24 HB VAL 24 -5.126 -6.678 4.893 37 1HG1 VAL 24 1HG1 VAL 24 -7.831 -6.194 3.658 38 2HG1 VAL 24 2HG1 VAL 24 -7.461 -7.307 4.975 39 3HG1 VAL 24 3HG1 VAL 24 -6.811 -7.601 3.360 40 1HG2 VAL 24 1HG2 VAL 24 -4.281 -4.968 3.405 41 2HG2 VAL 24 2HG2 VAL 24 -5.882 -4.754 2.698 42 3HG2 VAL 24 3HG2 VAL 24 -5.012 -6.271 2.467 43 H LYS 25 H LYS 25 -8.714 -4.984 5.252 44 HA LYS 25 HA LYS 25 -8.975 -2.753 3.421 45 1HB LYS 25 2HB LYS 25 -10.894 -4.769 4.546 46 2HB LYS 25 1HB LYS 25 -11.487 -3.323 3.741 47 1HG LYS 25 2HG LYS 25 -9.620 -5.330 2.501 48 2HG LYS 25 1HG LYS 25 -11.367 -5.300 2.270 49 1HD LYS 25 2HD LYS 25 -9.554 -2.988 1.595 50 2HD LYS 25 1HD LYS 25 -10.019 -4.231 0.436 51 1HE LYS 25 2HE LYS 25 -11.530 -2.503 0.033 52 2HE LYS 25 1HE LYS 25 -12.433 -3.625 1.043 53 1HZ LYS 25 1HZ LYS 25 -11.091 -1.156 2.013 54 2HZ LYS 25 2HZ LYS 25 -12.029 -2.205 2.950 55 3HZ LYS 25 3HZ LYS 25 -12.746 -1.309 1.708 56 H LYS 26 H LYS 26 -10.014 -3.594 6.707 57 HA LYS 26 HA LYS 26 -11.501 -1.264 7.155 58 1HB LYS 26 2HB LYS 26 -10.522 -3.476 8.808 59 2HB LYS 26 1HB LYS 26 -10.710 -1.958 9.677 60 1HG LYS 26 2HG LYS 26 -12.816 -2.713 9.953 61 2HG LYS 26 1HG LYS 26 -13.046 -1.996 8.363 62 1HD LYS 26 2HD LYS 26 -12.344 -4.891 8.832 63 2HD LYS 26 1HD LYS 26 -13.988 -4.296 8.628 64 1HE LYS 26 2HE LYS 26 -11.781 -4.014 6.592 65 2HE LYS 26 1HE LYS 26 -13.021 -5.263 6.566 66 1HZ LYS 26 1HZ LYS 26 -13.790 -3.642 5.118 67 2HZ LYS 26 2HZ LYS 26 -13.330 -2.357 6.117 68 3HZ LYS 26 3HZ LYS 26 -14.658 -3.331 6.542 69 H ARG 27 H ARG 27 -8.085 -1.949 7.763 70 HA ARG 27 HA ARG 27 -7.361 0.358 9.121 71 1HB ARG 27 2HB ARG 27 -5.858 -1.563 8.598 72 2HB ARG 27 1HB ARG 27 -5.766 -0.998 6.936 73 1HG ARG 27 2HG ARG 27 -4.756 1.098 7.723 74 2HG ARG 27 1HG ARG 27 -4.813 0.484 9.377 75 1HD ARG 27 2HD ARG 27 -3.270 -0.698 7.070 76 2HD ARG 27 1HD ARG 27 -2.598 0.173 8.449 77 HE ARG 27 HE ARG 27 -4.128 -2.272 8.976 78 1HH1 ARG 27 1HH1 ARG 27 -1.008 -0.678 8.797 79 2HH1 ARG 27 2HH1 ARG 27 -0.183 -1.917 9.695 80 1HH2 ARG 27 1HH2 ARG 27 -3.086 -3.861 10.153 81 2HH2 ARG 27 2HH2 ARG 27 -1.381 -3.727 10.502 82 H TRP 28 H TRP 28 -7.892 -0.128 5.661 83 HA TRP 28 HA TRP 28 -7.234 2.572 4.945 84 1HB TRP 28 2HB TRP 28 -8.754 0.423 3.454 85 2HB TRP 28 1HB TRP 28 -8.312 1.977 2.767 86 HD1 TRP 28 HD1 TRP 28 -5.244 1.581 4.313 87 HE1 TRP 28 HE1 TRP 28 -3.547 0.229 2.925 88 HE3 TRP 28 HE3 TRP 28 -8.481 -0.814 1.153 89 HZ2 TRP 28 HZ2 TRP 28 -3.573 -1.623 0.810 90 HZ3 TRP 28 HZ3 TRP 28 -7.560 -2.370 -0.515 91 HH2 TRP 28 HH2 TRP 28 -5.154 -2.767 -0.680 92 H ASP 29 H ASP 29 -10.196 0.736 5.517 93 HA ASP 29 HA ASP 29 -12.033 2.683 4.687 94 1HB ASP 29 2HB ASP 29 -12.383 0.419 6.658 95 2HB ASP 29 1HB ASP 29 -13.696 1.361 5.974 96 H ALA 30 H ALA 30 -10.735 1.946 7.899 97 HA ALA 30 HA ALA 30 -12.500 3.477 9.422 98 1HB ALA 30 1HB ALA 30 -10.866 3.321 11.204 99 2HB ALA 30 2HB ALA 30 -9.617 2.864 10.047 100 3HB ALA 30 3HB ALA 30 -10.980 1.786 10.344 101 H PHE 31 H PHE 31 -9.201 4.387 8.396 102 HA PHE 31 HA PHE 31 -9.309 7.001 9.380 103 1HB PHE 31 2HB PHE 31 -7.664 5.776 7.168 104 2HB PHE 31 1HB PHE 31 -7.452 7.439 7.707 105 HD1 PHE 31 HD1 PHE 31 -6.256 7.944 9.672 106 HD2 PHE 31 HD2 PHE 31 -7.239 3.908 8.767 107 HE1 PHE 31 HE1 PHE 31 -4.762 7.182 11.471 108 HE2 PHE 31 HE2 PHE 31 -5.746 3.136 10.561 109 HZ PHE 31 HZ PHE 31 -4.506 4.774 11.919 110 H THR 32 H THR 32 -10.525 5.611 6.438 111 HA THR 32 HA THR 32 -11.032 8.080 5.088 112 HB THR 32 HB THR 32 -12.293 5.358 4.662 113 HG1 THR 32 HG1 THR 32 -10.189 5.054 4.195 114 1HG2 THR 32 1HG2 THR 32 -13.592 7.176 3.653 115 2HG2 THR 32 2HG2 THR 32 -12.816 6.187 2.417 116 3HG2 THR 32 3HG2 THR 32 -12.141 7.762 2.838 117 H LYS 33 H LYS 33 -12.921 5.876 7.093 118 HA LYS 33 HA LYS 33 -15.429 7.101 6.762 119 1HB LYS 33 2HB LYS 33 -14.898 4.793 7.706 120 2HB LYS 33 1HB LYS 33 -14.517 5.605 9.217 121 1HG LYS 33 2HG LYS 33 -16.811 6.497 9.282 122 2HG LYS 33 1HG LYS 33 -17.179 5.592 7.812 123 1HD LYS 33 2HD LYS 33 -16.516 3.509 9.027 124 2HD LYS 33 1HD LYS 33 -16.383 4.476 10.498 125 1HE LYS 33 2HE LYS 33 -18.863 4.043 8.834 126 2HE LYS 33 1HE LYS 33 -18.529 3.353 10.420 127 1HZ LYS 33 1HZ LYS 33 -18.473 5.651 11.302 128 2HZ LYS 33 2HZ LYS 33 -19.986 5.207 10.675 129 3HZ LYS 33 3HZ LYS 33 -18.965 6.220 9.778 130 H PHE 34 H PHE 34 -12.849 7.600 9.139 131 HA PHE 34 HA PHE 34 -14.344 9.620 10.555 132 1HB PHE 34 2HB PHE 34 -11.452 8.759 10.767 133 2HB PHE 34 1HB PHE 34 -12.240 9.902 11.840 134 HD1 PHE 34 HD1 PHE 34 -11.203 6.637 11.561 135 HD2 PHE 34 HD2 PHE 34 -14.561 8.918 12.825 136 HE1 PHE 34 HE1 PHE 34 -11.920 4.775 12.998 137 HE2 PHE 34 HE2 PHE 34 -15.289 7.058 14.260 138 HZ PHE 34 HZ PHE 34 -13.967 4.983 14.349 139 H GLY 35 H GLY 35 -11.568 9.511 8.358 140 1HA GLY 35 2HA GLY 35 -11.011 11.255 6.835 141 2HA GLY 35 1HA GLY 35 -11.903 12.384 7.850 142 H ALA 36 H ALA 36 -9.435 10.007 8.698 143 HA ALA 36 HA ALA 36 -8.130 12.028 10.341 144 1HB ALA 36 1HB ALA 36 -6.931 10.140 11.334 145 2HB ALA 36 2HB ALA 36 -7.674 9.045 10.168 146 3HB ALA 36 3HB ALA 36 -8.672 9.870 11.367 147 H ALA 37 H ALA 37 -6.618 13.203 9.366 148 HA ALA 37 HA ALA 37 -5.001 11.926 7.259 149 1HB ALA 37 1HB ALA 37 -4.692 14.151 6.319 150 2HB ALA 37 2HB ALA 37 -5.629 14.848 7.640 151 3HB ALA 37 3HB ALA 37 -6.406 13.770 6.483 152 H THR 38 H THR 38 -4.893 13.349 10.358 153 HA THR 38 HA THR 38 -1.952 13.547 10.195 154 HB THR 38 HB THR 38 -3.612 14.841 12.355 155 HG1 THR 38 HG1 THR 38 -4.315 16.186 10.889 156 1HG2 THR 38 1HG2 THR 38 -1.675 16.341 12.508 157 2HG2 THR 38 2HG2 THR 38 -0.888 15.459 11.198 158 3HG2 THR 38 3HG2 THR 38 -1.199 14.660 12.738 159 H ALA 39 H ALA 39 -2.951 11.081 10.416 160 HA ALA 39 HA ALA 39 -2.156 10.313 13.112 161 1HB ALA 39 1HB ALA 39 -4.605 10.452 13.198 162 2HB ALA 39 2HB ALA 39 -4.037 8.792 13.384 163 3HB ALA 39 3HB ALA 39 -4.714 9.327 11.846 164 H THR 40 H THR 40 -0.831 8.627 13.068 165 HA THR 40 HA THR 40 0.315 6.786 12.412 166 HB THR 40 HB THR 40 -1.870 6.233 10.396 167 HG1 THR 40 HG1 THR 40 -2.944 6.492 12.320 168 1HG2 THR 40 1HG2 THR 40 0.136 4.796 10.289 169 2HG2 THR 40 2HG2 THR 40 -1.287 3.895 10.810 170 3HG2 THR 40 3HG2 THR 40 -0.076 4.393 11.993 171 H GLU 41 H GLU 41 0.879 9.319 11.229 172 HA GLU 41 HA GLU 41 1.495 8.936 8.471 173 1HB GLU 41 2HB GLU 41 3.090 10.863 8.811 174 2HB GLU 41 1HB GLU 41 1.416 11.196 9.215 175 1HG GLU 41 2HG GLU 41 3.338 10.372 11.345 176 2HG GLU 41 1HG GLU 41 3.311 12.034 10.761 177 H MET 42 H MET 42 2.749 7.358 7.808 178 HA MET 42 HA MET 42 4.744 6.227 9.576 179 1HB MET 42 2HB MET 42 3.175 4.835 8.195 180 2HB MET 42 1HB MET 42 4.021 5.400 6.760 181 1HG MET 42 2HG MET 42 4.779 3.196 7.421 182 2HG MET 42 1HG MET 42 6.080 4.377 7.561 183 1HE MET 42 1HE MET 42 3.422 2.228 9.513 184 2HE MET 42 2HE MET 42 3.036 3.879 10.001 185 3HE MET 42 3HE MET 42 3.708 2.747 11.174 186 H THR 43 H THR 43 6.962 6.031 9.059 187 HA THR 43 HA THR 43 7.967 8.252 7.495 188 HB THR 43 HB THR 43 10.184 7.589 8.362 189 HG1 THR 43 HG1 THR 43 10.440 5.820 9.592 190 1HG2 THR 43 1HG2 THR 43 8.795 9.142 9.641 191 2HG2 THR 43 2HG2 THR 43 9.761 8.126 10.711 192 3HG2 THR 43 3HG2 THR 43 8.045 7.785 10.484 193 H GLY 44 H GLY 44 9.593 8.002 5.872 194 1HA GLY 44 2HA GLY 44 8.901 6.280 3.829 195 2HA GLY 44 1HA GLY 44 10.429 7.133 3.931 196 H LYS 45 H LYS 45 11.353 5.796 6.325 197 HA LYS 45 HA LYS 45 12.653 3.599 5.151 198 1HB LYS 45 2HB LYS 45 13.549 4.847 7.084 199 2HB LYS 45 1HB LYS 45 12.268 4.188 8.091 200 1HG LYS 45 2HG LYS 45 13.163 1.896 7.502 201 2HG LYS 45 1HG LYS 45 14.561 2.727 6.820 202 1HD LYS 45 2HD LYS 45 15.034 2.031 9.097 203 2HD LYS 45 1HD LYS 45 14.959 3.793 9.009 204 1HE LYS 45 2HE LYS 45 12.701 3.766 9.891 205 2HE LYS 45 1HE LYS 45 12.706 2.004 9.907 206 1HZ LYS 45 1HZ LYS 45 13.140 2.930 12.099 207 2HZ LYS 45 2HZ LYS 45 14.510 3.743 11.503 208 3HZ LYS 45 3HZ LYS 45 14.472 2.047 11.535 209 H ASN 46 H ASN 46 9.983 3.739 7.483 210 HA ASN 46 HA ASN 46 9.681 0.905 7.600 211 1HB ASN 46 2HB ASN 46 7.927 3.176 8.535 212 2HB ASN 46 1HB ASN 46 7.483 1.486 8.742 213 1HD2 ASN 46 1HD2 ASN 46 9.482 4.075 9.833 214 2HD2 ASN 46 2HD2 ASN 46 10.189 3.239 11.179 215 H PHE 47 H PHE 47 8.293 3.477 5.686 216 HA PHE 47 HA PHE 47 6.110 1.994 4.648 217 1HB PHE 47 2HB PHE 47 6.421 4.521 4.635 218 2HB PHE 47 1HB PHE 47 7.507 4.287 3.271 219 HD1 PHE 47 HD1 PHE 47 4.037 3.685 4.421 220 HD2 PHE 47 HD2 PHE 47 6.662 4.102 1.093 221 HE1 PHE 47 HE1 PHE 47 2.103 3.685 2.901 222 HE2 PHE 47 HE2 PHE 47 4.729 4.104 -0.431 223 HZ PHE 47 HZ PHE 47 2.445 3.891 0.475 224 H ASP 48 H ASP 48 9.356 2.697 3.397 225 HA ASP 48 HA ASP 48 9.193 1.269 0.985 226 1HB ASP 48 2HB ASP 48 10.989 2.820 1.356 227 2HB ASP 48 1HB ASP 48 11.519 1.958 2.790 228 H LYS 49 H LYS 49 9.869 0.263 4.248 229 HA LYS 49 HA LYS 49 10.929 -2.312 3.635 230 1HB LYS 49 2HB LYS 49 11.079 -0.811 5.807 231 2HB LYS 49 1HB LYS 49 9.615 -1.670 6.251 232 1HG LYS 49 2HG LYS 49 11.279 -2.910 7.262 233 2HG LYS 49 1HG LYS 49 10.983 -3.801 5.769 234 1HD LYS 49 2HD LYS 49 13.091 -1.679 5.844 235 2HD LYS 49 1HD LYS 49 13.430 -3.273 6.519 236 1HE LYS 49 2HE LYS 49 12.356 -2.897 3.736 237 2HE LYS 49 1HE LYS 49 14.085 -2.871 4.091 238 1HZ LYS 49 1HZ LYS 49 13.903 -5.093 5.004 239 2HZ LYS 49 2HZ LYS 49 13.336 -5.068 3.409 240 3HZ LYS 49 3HZ LYS 49 12.236 -5.124 4.695 241 H TRP 50 H TRP 50 7.860 -1.149 4.931 242 HA TRP 50 HA TRP 50 6.414 -3.535 4.937 243 1HB TRP 50 2HB TRP 50 5.582 -1.614 6.095 244 2HB TRP 50 1HB TRP 50 5.585 -0.645 4.628 245 HD1 TRP 50 HD1 TRP 50 3.445 -0.684 3.158 246 HE1 TRP 50 HE1 TRP 50 1.142 -1.807 3.381 247 HE3 TRP 50 HE3 TRP 50 4.464 -3.877 7.022 248 HZ2 TRP 50 HZ2 TRP 50 -0.078 -3.772 4.980 249 HZ3 TRP 50 HZ3 TRP 50 2.664 -5.344 7.836 250 HH2 TRP 50 HH2 TRP 50 0.442 -5.291 6.836 251 H LEU 51 H LEU 51 7.043 -1.203 2.373 252 HA LEU 51 HA LEU 51 5.073 -2.320 0.604 253 1HB LEU 51 2HB LEU 51 6.883 -0.059 0.605 254 2HB LEU 51 1HB LEU 51 6.833 -0.851 -0.956 255 HG LEU 51 HG LEU 51 5.230 0.956 -0.900 256 1HD1 LEU 51 1HD1 LEU 51 3.198 -0.262 -1.496 257 2HD1 LEU 51 2HD1 LEU 51 3.867 -1.728 -0.780 258 3HD1 LEU 51 3HD1 LEU 51 4.631 -1.009 -2.198 259 1HD2 LEU 51 1HD2 LEU 51 4.849 1.100 1.475 260 2HD2 LEU 51 2HD2 LEU 51 4.051 -0.475 1.469 261 3HD2 LEU 51 3HD2 LEU 51 3.312 0.893 0.635 262 H LYS 52 H LYS 52 8.550 -2.674 1.010 263 HA LYS 52 HA LYS 52 9.020 -4.130 -1.362 264 1HB LYS 52 2HB LYS 52 10.854 -3.106 -0.178 265 2HB LYS 52 1HB LYS 52 10.515 -4.061 1.258 266 1HG LYS 52 2HG LYS 52 11.153 -6.093 0.081 267 2HG LYS 52 1HG LYS 52 11.452 -5.160 -1.386 268 1HD LYS 52 2HD LYS 52 12.849 -4.417 1.145 269 2HD LYS 52 1HD LYS 52 13.428 -5.795 0.207 270 1HE LYS 52 2HE LYS 52 12.984 -3.060 -0.971 271 2HE LYS 52 1HE LYS 52 14.528 -3.583 -0.296 272 1HZ LYS 52 1HZ LYS 52 14.449 -5.479 -1.885 273 2HZ LYS 52 2HZ LYS 52 14.591 -3.966 -2.629 274 3HZ LYS 52 3HZ LYS 52 13.101 -4.763 -2.621 275 H ASP 53 H ASP 53 8.039 -5.114 1.884 276 HA ASP 53 HA ASP 53 8.203 -7.914 1.345 277 1HB ASP 53 2HB ASP 53 7.098 -6.242 3.535 278 2HB ASP 53 1HB ASP 53 6.437 -7.865 3.361 279 H ALA 54 H ALA 54 5.797 -5.471 0.831 280 HA ALA 54 HA ALA 54 3.596 -7.223 0.409 281 1HB ALA 54 1HB ALA 54 4.014 -4.394 -0.551 282 2HB ALA 54 2HB ALA 54 3.270 -4.876 0.975 283 3HB ALA 54 3HB ALA 54 2.483 -5.270 -0.554 284 H GLY 55 H GLY 55 6.187 -6.037 -1.614 285 1HA GLY 55 2HA GLY 55 6.886 -7.082 -3.607 286 2HA GLY 55 1HA GLY 55 5.313 -7.863 -3.724 287 H VAL 56 H VAL 56 4.886 -4.664 -2.977 288 HA VAL 56 HA VAL 56 4.099 -4.053 -5.714 289 HB VAL 56 HB VAL 56 3.723 -2.350 -3.242 290 1HG1 VAL 56 1HG1 VAL 56 1.933 -1.303 -4.532 291 2HG1 VAL 56 2HG1 VAL 56 2.334 -2.320 -5.915 292 3HG1 VAL 56 3HG1 VAL 56 3.496 -1.128 -5.331 293 1HG2 VAL 56 1HG2 VAL 56 1.849 -4.379 -4.455 294 2HG2 VAL 56 2HG2 VAL 56 1.434 -3.253 -3.161 295 3HG2 VAL 56 3HG2 VAL 56 2.651 -4.500 -2.890 296 H LEU 57 H LEU 57 6.344 -3.067 -3.237 297 HA LEU 57 HA LEU 57 7.665 -1.246 -5.145 298 1HB LEU 57 2HB LEU 57 6.643 -0.086 -3.217 299 2HB LEU 57 1HB LEU 57 7.575 -1.091 -2.128 300 HG LEU 57 HG LEU 57 9.620 -0.062 -3.441 301 1HD1 LEU 57 1HD1 LEU 57 7.471 2.016 -3.786 302 2HD1 LEU 57 2HD1 LEU 57 8.287 1.136 -5.078 303 3HD1 LEU 57 3HD1 LEU 57 9.193 2.262 -4.068 304 1HD2 LEU 57 1HD2 LEU 57 9.214 0.173 -1.049 305 2HD2 LEU 57 2HD2 LEU 57 8.045 1.453 -1.366 306 3HD2 LEU 57 3HD2 LEU 57 9.747 1.700 -1.753 307 H ASP 58 H ASP 58 9.954 -1.315 -5.154 308 HA ASP 58 HA ASP 58 11.121 -3.548 -3.645 309 1HB ASP 58 2HB ASP 58 11.121 -4.190 -5.967 310 2HB ASP 58 1HB ASP 58 11.813 -2.644 -6.447 311 H ASN 59 H ASN 59 13.009 -1.420 -5.631 312 HA ASN 59 HA ASN 59 13.594 0.744 -4.093 313 1HB ASN 59 2HB ASN 59 14.216 -1.028 -2.337 314 2HB ASN 59 1HB ASN 59 15.599 -1.398 -3.362 315 1HD2 ASN 59 1HD2 ASN 59 14.101 0.940 -1.286 316 2HD2 ASN 59 2HD2 ASN 59 15.492 1.954 -1.091 317 H LYS 60 H LYS 60 15.153 -1.954 -5.744 318 HA LYS 60 HA LYS 60 16.967 -0.095 -7.118 319 1HB LYS 60 2HB LYS 60 17.763 -2.187 -5.841 320 2HB LYS 60 1HB LYS 60 17.085 -3.110 -7.166 321 1HG LYS 60 2HG LYS 60 19.164 -0.977 -7.577 322 2HG LYS 60 1HG LYS 60 19.568 -2.662 -7.250 323 1HD LYS 60 2HD LYS 60 18.285 -3.332 -9.241 324 2HD LYS 60 1HD LYS 60 17.944 -1.634 -9.577 325 1HE LYS 60 2HE LYS 60 20.666 -2.930 -9.492 326 2HE LYS 60 1HE LYS 60 19.792 -2.445 -10.944 327 1HZ LYS 60 1HZ LYS 60 21.071 -0.748 -8.899 328 2HZ LYS 60 2HZ LYS 60 19.816 -0.128 -9.860 329 3HZ LYS 60 3HZ LYS 60 21.238 -0.700 -10.589 330 H ALA 61 H ALA 61 14.807 -2.844 -7.721 331 HA ALA 61 HA ALA 61 14.924 -2.745 -10.530 332 1HB ALA 61 1HB ALA 61 14.119 -4.688 -9.278 333 2HB ALA 61 2HB ALA 61 12.954 -4.168 -10.496 334 3HB ALA 61 3HB ALA 61 12.687 -3.780 -8.796 335 H ILE 62 H ILE 62 12.832 -1.124 -8.223 336 HA ILE 62 HA ILE 62 11.014 -0.067 -10.136 337 HB ILE 62 HB ILE 62 11.661 0.905 -7.343 338 1HG1 ILE 62 2HG1 ILE 62 10.780 -1.378 -7.373 339 2HG1 ILE 62 1HG1 ILE 62 9.594 -0.265 -6.695 340 1HG2 ILE 62 1HG2 ILE 62 9.355 1.617 -9.148 341 2HG2 ILE 62 2HG2 ILE 62 10.657 2.688 -8.633 342 3HG2 ILE 62 3HG2 ILE 62 9.501 2.077 -7.451 343 1HD1 ILE 62 1HD1 ILE 62 8.416 -0.242 -8.839 344 2HD1 ILE 62 2HD1 ILE 62 8.531 -1.863 -8.157 345 3HD1 ILE 62 3HD1 ILE 62 9.588 -1.387 -9.487 346 H THR 63 H THR 63 11.197 1.511 -11.448 347 HA THR 63 HA THR 63 13.647 2.745 -11.972 348 HB THR 63 HB THR 63 11.042 3.869 -12.942 349 HG1 THR 63 HG1 THR 63 11.061 2.135 -14.511 350 1HG2 THR 63 1HG2 THR 63 13.124 4.878 -13.681 351 2HG2 THR 63 2HG2 THR 63 12.317 4.056 -15.017 352 3HG2 THR 63 3HG2 THR 63 13.706 3.306 -14.229 353 H GLY 64 H GLY 64 14.463 4.735 -11.524 354 1HA GLY 64 2HA GLY 64 13.657 6.092 -9.208 355 2HA GLY 64 1HA GLY 64 14.766 6.721 -10.419 356 H THR 65 H THR 65 12.977 6.778 -12.614 357 HA THR 65 HA THR 65 11.650 9.218 -12.302 358 HB THR 65 HB THR 65 10.700 7.173 -14.285 359 HG1 THR 65 HG1 THR 65 12.549 7.319 -15.430 360 1HG2 THR 65 1HG2 THR 65 11.307 10.125 -14.510 361 2HG2 THR 65 2HG2 THR 65 9.707 9.427 -14.263 362 3HG2 THR 65 3HG2 THR 65 10.585 9.110 -15.758 363 H MET 66 H MET 66 10.401 5.916 -12.367 364 HA MET 66 HA MET 66 7.684 6.466 -12.079 365 1HB MET 66 2HB MET 66 8.612 4.302 -12.801 366 2HB MET 66 1HB MET 66 9.241 4.032 -11.185 367 1HG MET 66 2HG MET 66 6.917 4.067 -10.330 368 2HG MET 66 1HG MET 66 6.351 4.190 -11.996 369 1HE MET 66 1HE MET 66 4.845 2.053 -11.612 370 2HE MET 66 2HE MET 66 5.434 1.856 -9.961 371 3HE MET 66 3HE MET 66 5.458 0.490 -11.076 372 H THR 67 H THR 67 10.066 5.531 -9.593 373 HA THR 67 HA THR 67 8.215 5.718 -7.458 374 HB THR 67 HB THR 67 10.180 4.309 -7.249 375 HG1 THR 67 HG1 THR 67 9.477 6.214 -5.434 376 1HG2 THR 67 1HG2 THR 67 11.779 6.869 -7.260 377 2HG2 THR 67 2HG2 THR 67 11.787 5.631 -8.516 378 3HG2 THR 67 3HG2 THR 67 12.414 5.263 -6.909 379 H GLY 68 H GLY 68 10.492 8.006 -8.870 380 1HA GLY 68 2HA GLY 68 10.383 9.975 -6.864 381 2HA GLY 68 1HA GLY 68 10.776 10.258 -8.553 382 H ILE 69 H ILE 69 8.413 9.535 -9.785 383 HA ILE 69 HA ILE 69 6.824 11.841 -9.415 384 HB ILE 69 HB ILE 69 6.093 9.276 -10.845 385 1HG1 ILE 69 2HG1 ILE 69 7.238 11.857 -11.941 386 2HG1 ILE 69 1HG1 ILE 69 8.162 10.377 -11.685 387 1HG2 ILE 69 1HG2 ILE 69 4.911 12.044 -11.063 388 2HG2 ILE 69 2HG2 ILE 69 4.141 10.644 -10.316 389 3HG2 ILE 69 3HG2 ILE 69 4.466 10.651 -12.050 390 1HD1 ILE 69 1HD1 ILE 69 5.824 10.686 -13.559 391 2HD1 ILE 69 2HD1 ILE 69 6.783 9.225 -13.321 392 3HD1 ILE 69 3HD1 ILE 69 7.527 10.662 -14.019 393 H ALA 70 H ALA 70 6.491 8.496 -8.328 394 HA ALA 70 HA ALA 70 3.954 8.635 -7.186 395 1HB ALA 70 1HB ALA 70 4.678 6.778 -5.744 396 2HB ALA 70 2HB ALA 70 6.347 7.054 -6.242 397 3HB ALA 70 3HB ALA 70 5.147 6.533 -7.425 398 H PHE 71 H PHE 71 7.117 9.213 -5.628 399 HA PHE 71 HA PHE 71 6.139 10.027 -3.144 400 1HB PHE 71 2HB PHE 71 8.680 10.762 -4.596 401 2HB PHE 71 1HB PHE 71 8.332 11.306 -2.959 402 HD1 PHE 71 HD1 PHE 71 10.367 9.203 -4.480 403 HD2 PHE 71 HD2 PHE 71 7.166 8.998 -1.685 404 HE1 PHE 71 HE1 PHE 71 11.287 7.104 -3.585 405 HE2 PHE 71 HE2 PHE 71 8.079 6.899 -0.784 406 HZ PHE 71 HZ PHE 71 10.143 5.949 -1.733 407 H SER 72 H SER 72 6.804 11.948 -6.048 408 HA SER 72 HA SER 72 6.255 14.461 -4.904 409 1HB SER 72 2HB SER 72 5.911 13.619 -7.792 410 2HB SER 72 1HB SER 72 6.111 15.262 -7.193 411 HG SER 72 HG SER 72 8.043 13.213 -6.814 412 H LYS 73 H LYS 73 4.203 11.934 -6.104 413 HA LYS 73 HA LYS 73 1.889 13.646 -6.371 414 1HB LYS 73 2HB LYS 73 2.651 11.250 -7.509 415 2HB LYS 73 1HB LYS 73 1.405 10.763 -6.371 416 1HG LYS 73 2HG LYS 73 0.260 11.125 -8.365 417 2HG LYS 73 1HG LYS 73 -0.037 12.587 -7.423 418 1HD LYS 73 2HD LYS 73 2.155 12.367 -9.484 419 2HD LYS 73 1HD LYS 73 0.530 12.936 -9.862 420 1HE LYS 73 2HE LYS 73 0.786 14.757 -8.261 421 2HE LYS 73 1HE LYS 73 2.398 14.176 -7.844 422 1HZ LYS 73 1HZ LYS 73 2.498 16.018 -9.398 423 2HZ LYS 73 2HZ LYS 73 1.546 15.167 -10.514 424 3HZ LYS 73 3HZ LYS 73 3.097 14.604 -10.124 425 H VAL 74 H VAL 74 3.133 11.264 -4.072 426 HA VAL 74 HA VAL 74 0.759 11.021 -2.574 427 HB VAL 74 HB VAL 74 2.138 10.020 -0.827 428 1HG1 VAL 74 1HG1 VAL 74 1.448 8.624 -2.643 429 2HG1 VAL 74 2HG1 VAL 74 3.071 8.171 -2.124 430 3HG1 VAL 74 3HG1 VAL 74 2.846 9.118 -3.596 431 1HG2 VAL 74 1HG2 VAL 74 4.499 10.777 -2.524 432 2HG2 VAL 74 2HG2 VAL 74 4.540 9.755 -1.087 433 3HG2 VAL 74 3HG2 VAL 74 4.093 11.456 -0.948 434 H THR 75 H THR 75 3.579 13.141 -2.192 435 HA THR 75 HA THR 75 2.178 15.251 -1.068 436 HB THR 75 HB THR 75 1.778 13.799 0.861 437 HG1 THR 75 HG1 THR 75 3.368 16.102 1.077 438 1HG2 THR 75 1HG2 THR 75 3.627 13.110 2.330 439 2HG2 THR 75 2HG2 THR 75 4.786 13.714 1.144 440 3HG2 THR 75 3HG2 THR 75 3.738 12.354 0.740 441 H GLY 76 H GLY 76 5.163 13.598 -1.657 442 1HA GLY 76 2HA GLY 76 6.863 15.126 -2.674 443 2HA GLY 76 1HA GLY 76 6.623 16.130 -1.248 444 HA PRO 77 HA PRO 77 9.742 13.649 0.696 445 1HB PRO 77 2HB PRO 77 9.371 14.293 3.269 446 2HB PRO 77 1HB PRO 77 9.951 15.483 2.097 447 1HG PRO 77 2HG PRO 77 7.225 15.134 3.256 448 2HG PRO 77 1HG PRO 77 8.098 16.626 2.866 449 1HD PRO 77 2HD PRO 77 6.144 15.444 1.279 450 2HD PRO 77 1HD PRO 77 7.342 16.624 0.719 451 H LYS 78 H LYS 78 9.891 11.564 1.267 452 HA LYS 78 HA LYS 78 7.589 9.987 1.732 453 1HB LYS 78 2HB LYS 78 9.161 8.124 2.070 454 2HB LYS 78 1HB LYS 78 9.527 9.049 0.621 455 1HG LYS 78 2HG LYS 78 11.358 10.156 1.738 456 2HG LYS 78 1HG LYS 78 10.951 9.352 3.256 457 1HD LYS 78 2HD LYS 78 11.465 7.188 2.282 458 2HD LYS 78 1HD LYS 78 11.766 7.940 0.714 459 1HE LYS 78 2HE LYS 78 13.334 8.522 3.226 460 2HE LYS 78 1HE LYS 78 13.836 7.393 1.967 461 1HZ LYS 78 1HZ LYS 78 14.895 9.523 1.666 462 2HZ LYS 78 2HZ LYS 78 13.394 10.311 1.617 463 3HZ LYS 78 3HZ LYS 78 13.826 9.230 0.382 464 H LYS 79 H LYS 79 9.368 11.914 3.811 465 HA LYS 79 HA LYS 79 9.528 10.510 6.193 466 1HB LYS 79 2HB LYS 79 10.504 12.751 5.779 467 2HB LYS 79 1HB LYS 79 8.892 13.446 5.865 468 1HG LYS 79 2HG LYS 79 8.699 12.667 8.187 469 2HG LYS 79 1HG LYS 79 10.339 12.026 8.092 470 1HD LYS 79 2HD LYS 79 10.394 14.170 9.183 471 2HD LYS 79 1HD LYS 79 11.158 14.313 7.599 472 1HE LYS 79 2HE LYS 79 9.073 15.243 6.694 473 2HE LYS 79 1HE LYS 79 8.334 15.119 8.290 474 1HZ LYS 79 1HZ LYS 79 10.039 16.642 9.127 475 2HZ LYS 79 2HZ LYS 79 9.105 17.352 7.903 476 3HZ LYS 79 3HZ LYS 79 10.674 16.803 7.561 477 H LYS 80 H LYS 80 6.734 12.131 4.748 478 HA LYS 80 HA LYS 80 5.123 11.043 6.953 479 1HB LYS 80 2HB LYS 80 4.954 13.403 7.145 480 2HB LYS 80 1HB LYS 80 4.721 13.601 5.411 481 1HG LYS 80 2HG LYS 80 2.531 12.718 5.504 482 2HG LYS 80 1HG LYS 80 2.763 12.118 7.145 483 1HD LYS 80 2HD LYS 80 2.858 15.045 6.459 484 2HD LYS 80 1HD LYS 80 1.362 14.214 6.891 485 1HE LYS 80 2HE LYS 80 2.510 13.474 9.000 486 2HE LYS 80 1HE LYS 80 3.833 14.559 8.574 487 1HZ LYS 80 1HZ LYS 80 2.325 16.417 8.652 488 2HZ LYS 80 2HZ LYS 80 2.237 15.565 10.115 489 3HZ LYS 80 3HZ LYS 80 1.008 15.392 8.957 490 H ALA 81 H ALA 81 4.492 9.183 6.123 491 HA ALA 81 HA ALA 81 2.977 9.202 3.624 492 1HB ALA 81 1HB ALA 81 4.942 7.727 3.573 493 2HB ALA 81 2HB ALA 81 3.439 6.814 3.456 494 3HB ALA 81 3HB ALA 81 4.322 6.862 4.981 495 H THR 82 H THR 82 1.145 9.935 4.604 496 HA THR 82 HA THR 82 -0.134 8.135 6.544 497 HB THR 82 HB THR 82 0.458 10.333 7.485 498 HG1 THR 82 HG1 THR 82 -1.363 9.362 8.377 499 1HG2 THR 82 1HG2 THR 82 -1.441 11.439 5.416 500 2HG2 THR 82 2HG2 THR 82 0.302 11.698 5.485 501 3HG2 THR 82 3HG2 THR 82 -0.735 12.351 6.753 502 H PHE 83 H PHE 83 -2.635 9.583 6.390 503 HA PHE 83 HA PHE 83 -4.161 7.848 5.035 504 1HB PHE 83 2HB PHE 83 -5.024 9.520 6.568 505 2HB PHE 83 1HB PHE 83 -4.710 10.792 5.396 506 HD1 PHE 83 HD1 PHE 83 -6.534 7.536 5.552 507 HD2 PHE 83 HD2 PHE 83 -6.517 11.588 4.248 508 HE1 PHE 83 HE1 PHE 83 -8.813 7.262 4.673 509 HE2 PHE 83 HE2 PHE 83 -8.793 11.317 3.359 510 HZ PHE 83 HZ PHE 83 -9.943 9.152 3.572 511 H ASP 84 H ASP 84 -3.776 11.101 3.571 512 HA ASP 84 HA ASP 84 -4.792 10.193 1.078 513 1HB ASP 84 2HB ASP 84 -3.425 12.751 1.902 514 2HB ASP 84 1HB ASP 84 -3.964 12.464 0.251 515 H GLU 85 H GLU 85 -1.613 10.530 2.397 516 HA GLU 85 HA GLU 85 -0.096 10.497 0.043 517 1HB GLU 85 2HB GLU 85 0.727 11.067 2.328 518 2HB GLU 85 1HB GLU 85 0.616 9.371 2.761 519 1HG GLU 85 2HG GLU 85 2.342 10.338 0.506 520 2HG GLU 85 1HG GLU 85 2.901 10.294 2.174 521 H THR 86 H THR 86 -0.872 7.816 2.261 522 HA THR 86 HA THR 86 0.367 5.842 0.706 523 HB THR 86 HB THR 86 -1.840 5.473 2.739 524 HG1 THR 86 HG1 THR 86 0.789 6.285 2.947 525 1HG2 THR 86 1HG2 THR 86 -1.363 3.457 1.416 526 2HG2 THR 86 2HG2 THR 86 -0.834 3.270 3.088 527 3HG2 THR 86 3HG2 THR 86 0.348 3.597 1.820 528 H LYS 87 H LYS 87 -2.912 7.102 0.686 529 HA LYS 87 HA LYS 87 -4.038 5.139 -1.001 530 1HB LYS 87 2HB LYS 87 -4.746 8.021 -0.499 531 2HB LYS 87 1HB LYS 87 -5.640 7.027 -1.645 532 1HG LYS 87 2HG LYS 87 -6.021 5.404 0.217 533 2HG LYS 87 1HG LYS 87 -5.347 6.611 1.312 534 1HD LYS 87 2HD LYS 87 -7.084 8.184 0.683 535 2HD LYS 87 1HD LYS 87 -7.725 7.034 -0.494 536 1HE LYS 87 2HE LYS 87 -8.112 5.444 1.395 537 2HE LYS 87 1HE LYS 87 -7.665 6.742 2.504 538 1HZ LYS 87 1HZ LYS 87 -9.502 8.064 1.628 539 2HZ LYS 87 2HZ LYS 87 -10.060 6.589 2.249 540 3HZ LYS 87 3HZ LYS 87 -9.924 6.808 0.570 541 H LYS 88 H LYS 88 -2.135 8.014 -1.618 542 HA LYS 88 HA LYS 88 -2.497 7.933 -4.443 543 1HB LYS 88 2HB LYS 88 -0.689 9.428 -2.595 544 2HB LYS 88 1HB LYS 88 -0.312 9.387 -4.312 545 1HG LYS 88 2HG LYS 88 -2.865 10.389 -3.067 546 2HG LYS 88 1HG LYS 88 -1.585 11.371 -3.781 547 1HD LYS 88 2HD LYS 88 -1.984 10.337 -5.954 548 2HD LYS 88 1HD LYS 88 -3.245 9.324 -5.247 549 1HE LYS 88 2HE LYS 88 -4.480 11.390 -4.637 550 2HE LYS 88 1HE LYS 88 -3.254 12.328 -5.492 551 1HZ LYS 88 1HZ LYS 88 -3.822 11.121 -7.524 552 2HZ LYS 88 2HZ LYS 88 -5.163 11.944 -6.893 553 3HZ LYS 88 3HZ LYS 88 -5.028 10.266 -6.691 554 H VAL 89 H VAL 89 -0.006 6.694 -2.228 555 HA VAL 89 HA VAL 89 1.824 5.874 -4.189 556 HB VAL 89 HB VAL 89 1.483 4.088 -1.836 557 1HG1 VAL 89 1HG1 VAL 89 3.923 4.257 -1.792 558 2HG1 VAL 89 2HG1 VAL 89 3.863 5.453 -3.087 559 3HG1 VAL 89 3HG1 VAL 89 3.334 3.799 -3.390 560 1HG2 VAL 89 1HG2 VAL 89 2.528 5.672 -0.322 561 2HG2 VAL 89 2HG2 VAL 89 0.970 6.275 -0.889 562 3HG2 VAL 89 3HG2 VAL 89 2.466 6.920 -1.567 563 H LEU 90 H LEU 90 -0.643 3.933 -2.503 564 HA LEU 90 HA LEU 90 -0.220 1.575 -3.950 565 1HB LEU 90 2HB LEU 90 -2.727 2.535 -2.563 566 2HB LEU 90 1HB LEU 90 -2.462 0.897 -3.129 567 HG LEU 90 HG LEU 90 -0.932 2.300 -0.931 568 1HD1 LEU 90 1HD1 LEU 90 -2.828 -0.031 -0.870 569 2HD1 LEU 90 2HD1 LEU 90 -3.157 1.598 -0.280 570 3HD1 LEU 90 3HD1 LEU 90 -1.926 0.609 0.503 571 1HD2 LEU 90 1HD2 LEU 90 0.553 0.845 -2.214 572 2HD2 LEU 90 2HD2 LEU 90 -0.592 -0.486 -2.038 573 3HD2 LEU 90 3HD2 LEU 90 0.223 0.171 -0.619 574 H ALA 91 H ALA 91 -2.361 4.307 -4.563 575 HA ALA 91 HA ALA 91 -3.761 3.057 -6.706 576 1HB ALA 91 1HB ALA 91 -3.545 5.983 -6.019 577 2HB ALA 91 2HB ALA 91 -4.750 4.863 -5.387 578 3HB ALA 91 3HB ALA 91 -4.725 5.253 -7.107 579 H PHE 92 H PHE 92 -1.071 5.386 -6.558 580 HA PHE 92 HA PHE 92 -0.962 5.805 -9.355 581 1HB PHE 92 2HB PHE 92 0.025 7.407 -7.793 582 2HB PHE 92 1HB PHE 92 1.201 6.199 -7.281 583 HD1 PHE 92 HD1 PHE 92 0.071 8.191 -10.190 584 HD2 PHE 92 HD2 PHE 92 3.220 5.922 -8.445 585 HE1 PHE 92 HE1 PHE 92 1.587 8.925 -11.982 586 HE2 PHE 92 HE2 PHE 92 4.744 6.658 -10.230 587 HZ PHE 92 HZ PHE 92 3.929 8.158 -12.002 588 H VAL 93 H VAL 93 0.916 3.674 -7.204 589 HA VAL 93 HA VAL 93 2.625 2.680 -9.200 590 HB VAL 93 HB VAL 93 1.720 1.261 -6.683 591 1HG1 VAL 93 1HG1 VAL 93 3.796 -0.026 -6.936 592 2HG1 VAL 93 2HG1 VAL 93 4.103 0.783 -8.471 593 3HG1 VAL 93 3HG1 VAL 93 2.705 -0.278 -8.300 594 1HG2 VAL 93 1HG2 VAL 93 4.163 2.952 -7.205 595 2HG2 VAL 93 2HG2 VAL 93 3.777 2.116 -5.700 596 3HG2 VAL 93 3HG2 VAL 93 2.762 3.447 -6.257 597 H ALA 94 H ALA 94 -0.481 1.461 -7.971 598 HA ALA 94 HA ALA 94 -0.711 -0.761 -9.661 599 1HB ALA 94 1HB ALA 94 -2.911 0.995 -8.572 600 2HB ALA 94 2HB ALA 94 -2.194 -0.392 -7.754 601 3HB ALA 94 3HB ALA 94 -3.114 -0.624 -9.240 602 H GLU 95 H GLU 95 -1.771 2.604 -10.122 603 HA GLU 95 HA GLU 95 -2.938 2.363 -12.629 604 1HB GLU 95 2HB GLU 95 -3.029 4.397 -11.211 605 2HB GLU 95 1HB GLU 95 -1.340 4.713 -11.589 606 1HG GLU 95 2HG GLU 95 -1.973 4.842 -13.992 607 2HG GLU 95 1HG GLU 95 -3.659 4.706 -13.503 608 H ASP 96 H ASP 96 0.437 3.216 -11.848 609 HA ASP 96 HA ASP 96 1.234 3.527 -14.537 610 1HB ASP 96 2HB ASP 96 2.432 4.510 -12.601 611 2HB ASP 96 1HB ASP 96 2.987 2.899 -12.155 612 H ARG 97 H ARG 97 1.263 0.735 -12.389 613 HA ARG 97 HA ARG 97 2.790 -0.901 -14.179 614 1HB ARG 97 2HB ARG 97 2.355 -1.173 -11.604 615 2HB ARG 97 1HB ARG 97 0.914 -2.034 -12.127 616 1HG ARG 97 2HG ARG 97 2.309 -3.583 -13.409 617 2HG ARG 97 1HG ARG 97 3.751 -2.728 -12.865 618 1HD ARG 97 2HD ARG 97 3.591 -4.565 -11.428 619 2HD ARG 97 1HD ARG 97 2.927 -3.225 -10.494 620 HE ARG 97 HE ARG 97 0.896 -4.635 -11.928 621 1HH1 ARG 97 1HH1 ARG 97 2.876 -4.753 -9.024 622 2HH1 ARG 97 2HH1 ARG 97 1.777 -5.795 -8.183 623 1HH2 ARG 97 1HH2 ARG 97 -0.518 -6.012 -10.839 624 2HH2 ARG 97 2HH2 ARG 97 -0.166 -6.513 -9.212 625 H ALA 98 H ALA 98 -0.553 -0.058 -13.818 626 HA ALA 98 HA ALA 98 -1.530 -2.321 -15.316 627 1HB ALA 98 1HB ALA 98 -3.007 0.120 -14.366 628 2HB ALA 98 2HB ALA 98 -2.827 -1.388 -13.470 629 3HB ALA 98 3HB ALA 98 -3.726 -1.367 -14.987 630 H ARG 99 H ARG 99 -1.469 1.225 -15.882 631 HA ARG 99 HA ARG 99 -2.887 1.079 -18.285 632 1HB ARG 99 2HB ARG 99 -2.593 3.342 -18.512 633 2HB ARG 99 1HB ARG 99 -2.343 3.131 -16.794 634 1HG ARG 99 2HG ARG 99 -0.220 3.548 -18.888 635 2HG ARG 99 1HG ARG 99 -0.761 4.707 -17.675 636 1HD ARG 99 2HD ARG 99 -0.042 2.903 -15.981 637 2HD ARG 99 1HD ARG 99 0.855 2.215 -17.328 638 HE ARG 99 HE ARG 99 1.710 4.298 -15.715 639 1HH1 ARG 99 1HH1 ARG 99 1.394 3.852 -19.196 640 2HH1 ARG 99 2HH1 ARG 99 2.812 4.786 -19.547 641 1HH2 ARG 99 1HH2 ARG 99 3.594 5.436 -16.191 642 2HH2 ARG 99 2HH2 ARG 99 4.067 5.673 -17.858 643 H GLN 100 H GLN 100 0.438 0.422 -17.686 644 HA GLN 100 HA GLN 100 1.238 0.604 -20.448 645 1HB GLN 100 2HB GLN 100 2.595 -0.531 -18.002 646 2HB GLN 100 1HB GLN 100 3.318 -0.560 -19.605 647 1HG GLN 100 2HG GLN 100 3.269 1.866 -19.690 648 2HG GLN 100 1HG GLN 100 2.498 1.917 -18.106 649 1HE2 GLN 100 1HE2 GLN 100 3.715 1.492 -16.272 650 2HE2 GLN 100 2HE2 GLN 100 5.445 1.456 -16.305 651 H SER 101 H SER 101 0.601 -2.080 -18.175 652 HA SER 101 HA SER 101 0.983 -3.951 -20.400 653 1HB SER 101 2HB SER 101 2.403 -4.304 -18.438 654 2HB SER 101 1HB SER 101 0.976 -4.445 -17.416 655 HG SER 101 HG SER 101 1.794 -6.197 -19.503 656 H LYS 102 H LYS 102 -1.320 -3.275 -17.761 657 HA LYS 102 HA LYS 102 -2.954 -5.525 -18.639 658 1HB LYS 102 2HB LYS 102 -2.382 -5.345 -16.271 659 2HB LYS 102 1HB LYS 102 -3.150 -3.767 -16.190 660 1HG LYS 102 2HG LYS 102 -4.558 -5.505 -15.229 661 2HG LYS 102 1HG LYS 102 -5.314 -4.769 -16.641 662 1HD LYS 102 2HD LYS 102 -5.621 -7.170 -16.693 663 2HD LYS 102 1HD LYS 102 -4.564 -6.668 -18.013 664 1HE LYS 102 2HE LYS 102 -3.704 -8.682 -16.979 665 2HE LYS 102 1HE LYS 102 -2.610 -7.333 -16.682 666 1HZ LYS 102 1HZ LYS 102 -3.202 -7.225 -14.462 667 2HZ LYS 102 2HZ LYS 102 -3.206 -8.898 -14.756 668 3HZ LYS 102 3HZ LYS 102 -4.671 -8.041 -14.695 669 H LYS 103 H LYS 103 -3.097 -2.050 -18.388 670 HA LYS 103 HA LYS 103 -4.406 -0.552 -19.512 671 1HB LYS 103 2HB LYS 103 -6.362 -2.800 -19.974 672 2HB LYS 103 1HB LYS 103 -6.658 -1.132 -20.436 673 1HG LYS 103 2HG LYS 103 -4.207 -2.538 -21.407 674 2HG LYS 103 1HG LYS 103 -5.763 -2.834 -22.180 675 1HD LYS 103 2HD LYS 103 -4.629 -1.116 -23.403 676 2HD LYS 103 1HD LYS 103 -5.975 -0.378 -22.540 677 1HE LYS 103 2HE LYS 103 -4.474 0.473 -20.849 678 2HE LYS 103 1HE LYS 103 -3.111 -0.361 -21.594 679 1HZ LYS 103 1HZ LYS 103 -3.221 1.046 -23.476 680 2HZ LYS 103 2HZ LYS 103 -3.306 2.064 -22.121 681 3HZ LYS 103 3HZ LYS 103 -4.710 1.703 -23.000 682 HA PRO 104 HA PRO 104 -7.827 -0.221 -16.268 683 1HB PRO 104 2HB PRO 104 -8.508 -2.754 -15.061 684 2HB PRO 104 1HB PRO 104 -9.530 -1.680 -16.017 685 1HG PRO 104 2HG PRO 104 -8.704 -4.147 -16.860 686 2HG PRO 104 1HG PRO 104 -9.137 -2.819 -17.950 687 1HD PRO 104 2HD PRO 104 -6.430 -3.757 -17.084 688 2HD PRO 104 1HD PRO 104 -6.980 -3.219 -18.687 689 H ILE 105 H ILE 105 -6.913 0.719 -14.577 690 HA ILE 105 HA ILE 105 -4.730 -0.330 -13.173 691 HB ILE 105 HB ILE 105 -4.925 1.570 -11.696 692 1HG1 ILE 105 2HG1 ILE 105 -6.907 3.214 -12.444 693 2HG1 ILE 105 1HG1 ILE 105 -7.719 1.676 -12.702 694 1HG2 ILE 105 1HG2 ILE 105 -3.955 1.935 -13.867 695 2HG2 ILE 105 2HG2 ILE 105 -4.865 3.364 -13.379 696 3HG2 ILE 105 3HG2 ILE 105 -5.547 2.244 -14.559 697 1HD1 ILE 105 1HD1 ILE 105 -6.484 2.609 -10.120 698 2HD1 ILE 105 2HD1 ILE 105 -7.292 1.061 -10.378 699 3HD1 ILE 105 3HD1 ILE 105 -8.205 2.564 -10.501 700 H GLN 106 H GLN 106 -8.172 -0.355 -12.496 701 HA GLN 106 HA GLN 106 -8.147 -1.231 -9.854 702 1HB GLN 106 2HB GLN 106 -10.057 -0.703 -11.797 703 2HB GLN 106 1HB GLN 106 -10.278 -2.412 -11.454 704 1HG GLN 106 2HG GLN 106 -10.348 -0.170 -9.449 705 2HG GLN 106 1HG GLN 106 -11.736 -1.050 -10.083 706 1HE2 GLN 106 1HE2 GLN 106 -9.070 -1.091 -7.910 707 2HE2 GLN 106 2HE2 GLN 106 -9.487 -2.560 -7.080 708 H ASP 107 H ASP 107 -7.891 -3.026 -12.871 709 HA ASP 107 HA ASP 107 -8.217 -5.627 -11.892 710 1HB ASP 107 2HB ASP 107 -8.172 -4.936 -14.312 711 2HB ASP 107 1HB ASP 107 -6.424 -4.782 -14.181 712 H GLU 108 H GLU 108 -5.317 -3.635 -12.264 713 HA GLU 108 HA GLU 108 -3.541 -5.634 -11.296 714 1HB GLU 108 2HB GLU 108 -3.272 -2.680 -11.773 715 2HB GLU 108 1HB GLU 108 -1.972 -3.613 -11.041 716 1HG GLU 108 2HG GLU 108 -3.204 -4.120 -13.741 717 2HG GLU 108 1HG GLU 108 -1.645 -3.353 -13.436 718 H LEU 109 H LEU 109 -5.291 -2.963 -9.784 719 HA LEU 109 HA LEU 109 -3.990 -3.119 -7.282 720 1HB LEU 109 2HB LEU 109 -5.418 -1.210 -7.914 721 2HB LEU 109 1HB LEU 109 -6.829 -2.253 -7.843 722 HG LEU 109 HG LEU 109 -6.271 -2.668 -5.413 723 1HD1 LEU 109 1HD1 LEU 109 -4.847 -1.011 -4.305 724 2HD1 LEU 109 2HD1 LEU 109 -4.396 -0.358 -5.881 725 3HD1 LEU 109 3HD1 LEU 109 -3.946 -2.007 -5.447 726 1HD2 LEU 109 1HD2 LEU 109 -8.059 -1.167 -6.092 727 2HD2 LEU 109 2HD2 LEU 109 -6.905 0.161 -6.226 728 3HD2 LEU 109 3HD2 LEU 109 -7.237 -0.565 -4.653 729 H ASP 110 H ASP 110 -6.819 -4.767 -8.619 730 HA ASP 110 HA ASP 110 -7.607 -6.164 -6.329 731 1HB ASP 110 2HB ASP 110 -8.961 -6.135 -8.370 732 2HB ASP 110 1HB ASP 110 -7.730 -7.072 -9.214 733 H ALA 111 H ALA 111 -5.236 -6.984 -8.816 734 HA ALA 111 HA ALA 111 -4.457 -9.483 -7.797 735 1HB ALA 111 1HB ALA 111 -3.872 -8.700 -10.044 736 2HB ALA 111 2HB ALA 111 -2.448 -9.220 -9.144 737 3HB ALA 111 3HB ALA 111 -2.787 -7.500 -9.342 738 H ILE 112 H ILE 112 -3.273 -6.211 -7.134 739 HA ILE 112 HA ILE 112 -1.195 -6.915 -5.362 740 HB ILE 112 HB ILE 112 -2.880 -4.409 -5.470 741 1HG1 ILE 112 2HG1 ILE 112 -0.101 -4.973 -6.528 742 2HG1 ILE 112 1HG1 ILE 112 -1.561 -4.906 -7.506 743 1HG2 ILE 112 1HG2 ILE 112 -1.067 -3.347 -4.187 744 2HG2 ILE 112 2HG2 ILE 112 -0.312 -4.927 -3.980 745 3HG2 ILE 112 3HG2 ILE 112 -1.897 -4.607 -3.274 746 1HD1 ILE 112 1HD1 ILE 112 -1.851 -2.552 -6.881 747 2HD1 ILE 112 2HD1 ILE 112 -0.319 -2.849 -7.704 748 3HD1 ILE 112 3HD1 ILE 112 -0.352 -2.631 -5.954 749 H THR 113 H THR 113 -4.569 -6.003 -4.763 750 HA THR 113 HA THR 113 -4.553 -6.252 -1.983 751 HB THR 113 HB THR 113 -6.938 -6.897 -3.727 752 HG1 THR 113 HG1 THR 113 -6.043 -4.931 -4.474 753 1HG2 THR 113 1HG2 THR 113 -8.189 -5.849 -1.903 754 2HG2 THR 113 2HG2 THR 113 -6.683 -5.567 -1.027 755 3HG2 THR 113 3HG2 THR 113 -7.239 -7.215 -1.319 756 H GLU 114 H GLU 114 -5.212 -8.641 -4.516 757 HA GLU 114 HA GLU 114 -5.789 -10.831 -2.855 758 1HB GLU 114 2HB GLU 114 -6.201 -10.734 -5.309 759 2HB GLU 114 1HB GLU 114 -4.470 -10.871 -5.576 760 1HG GLU 114 2HG GLU 114 -4.506 -13.058 -4.431 761 2HG GLU 114 1HG GLU 114 -6.258 -12.920 -4.287 762 H LYS 115 H LYS 115 -2.742 -9.589 -4.142 763 HA LYS 115 HA LYS 115 -0.969 -11.566 -3.446 764 1HB LYS 115 2HB LYS 115 -0.239 -9.660 -4.698 765 2HB LYS 115 1HB LYS 115 -0.639 -8.568 -3.384 766 1HG LYS 115 2HG LYS 115 1.729 -8.817 -3.472 767 2HG LYS 115 1HG LYS 115 1.139 -9.632 -2.023 768 1HD LYS 115 2HD LYS 115 1.314 -11.785 -3.133 769 2HD LYS 115 1HD LYS 115 1.819 -10.995 -4.630 770 1HE LYS 115 2HE LYS 115 3.798 -10.109 -3.456 771 2HE LYS 115 1HE LYS 115 3.303 -10.976 -2.005 772 1HZ LYS 115 1HZ LYS 115 3.630 -13.047 -3.094 773 2HZ LYS 115 2HZ LYS 115 5.022 -12.115 -3.369 774 3HZ LYS 115 3HZ LYS 115 3.866 -12.302 -4.596 775 H LEU 116 H LEU 116 -2.089 -8.897 -1.347 776 HA LEU 116 HA LEU 116 -0.611 -9.690 0.925 777 1HB LEU 116 2HB LEU 116 -3.149 -8.120 0.656 778 2HB LEU 116 1HB LEU 116 -2.425 -8.442 2.212 779 HG LEU 116 HG LEU 116 -1.720 -6.284 1.678 780 1HD1 LEU 116 1HD1 LEU 116 0.494 -8.144 0.845 781 2HD1 LEU 116 2HD1 LEU 116 0.110 -7.623 2.487 782 3HD1 LEU 116 3HD1 LEU 116 0.699 -6.453 1.305 783 1HD2 LEU 116 1HD2 LEU 116 -2.389 -6.213 -0.643 784 2HD2 LEU 116 2HD2 LEU 116 -1.035 -7.251 -1.087 785 3HD2 LEU 116 3HD2 LEU 116 -0.734 -5.630 -0.459 786 H ALA 117 H ALA 117 -3.850 -10.553 -0.188 787 HA ALA 117 HA ALA 117 -4.633 -12.071 2.039 788 1HB ALA 117 1HB ALA 117 -6.239 -13.133 0.543 789 2HB ALA 117 2HB ALA 117 -5.385 -12.480 -0.855 790 3HB ALA 117 3HB ALA 117 -6.187 -11.391 0.277 791 H LYS 118 H LYS 118 -2.764 -12.877 -0.819 792 HA LYS 118 HA LYS 118 -2.480 -15.643 -0.264 793 1HB LYS 118 2HB LYS 118 -0.695 -13.830 -1.895 794 2HB LYS 118 1HB LYS 118 -0.693 -15.589 -1.940 795 1HG LYS 118 2HG LYS 118 -3.027 -15.533 -2.755 796 2HG LYS 118 1HG LYS 118 -2.938 -13.771 -2.795 797 1HD LYS 118 2HD LYS 118 -2.528 -14.598 -5.006 798 2HD LYS 118 1HD LYS 118 -1.006 -13.976 -4.361 799 1HE LYS 118 2HE LYS 118 -0.617 -16.081 -5.488 800 2HE LYS 118 1HE LYS 118 -0.357 -16.272 -3.755 801 1HZ LYS 118 1HZ LYS 118 -2.535 -17.283 -3.557 802 2HZ LYS 118 2HZ LYS 118 -1.612 -18.121 -4.706 803 3HZ LYS 118 3HZ LYS 118 -2.829 -17.054 -5.212 804 H LEU 119 H LEU 119 -1.098 -12.858 1.160 805 HA LEU 119 HA LEU 119 1.274 -14.285 2.095 806 1HB LEU 119 2HB LEU 119 0.287 -11.479 2.614 807 2HB LEU 119 1HB LEU 119 1.781 -12.136 3.255 808 HG LEU 119 HG LEU 119 1.135 -11.724 0.334 809 1HD1 LEU 119 1HD1 LEU 119 2.896 -10.035 0.428 810 2HD1 LEU 119 2HD1 LEU 119 3.072 -10.310 2.161 811 3HD1 LEU 119 3HD1 LEU 119 1.569 -9.644 1.520 812 1HD2 LEU 119 1HD2 LEU 119 3.436 -12.403 -0.085 813 2HD2 LEU 119 2HD2 LEU 119 2.538 -13.700 0.705 814 3HD2 LEU 119 3HD2 LEU 119 3.668 -12.717 1.635 815 H GLU 120 H GLU 120 -1.453 -15.110 2.864 816 HA GLU 120 HA GLU 120 -2.450 -16.073 4.642 817 1HB GLU 120 2HB GLU 120 0.226 -15.488 5.843 818 2HB GLU 120 1HB GLU 120 -1.080 -16.049 6.874 819 1HG GLU 120 2HG GLU 120 0.129 -17.960 6.295 820 2HG GLU 120 1HG GLU 120 -1.316 -18.002 5.289 Start of MODEL 9 1 H ASN 18 H ASN 18 1.005 -8.681 10.289 2 HA ASN 18 HA ASN 18 1.651 -8.630 7.590 3 1HB ASN 18 2HB ASN 18 2.127 -11.076 7.922 4 2HB ASN 18 1HB ASN 18 0.458 -11.288 8.447 5 1HD2 ASN 18 1HD2 ASN 18 -0.098 -12.648 6.783 6 2HD2 ASN 18 2HD2 ASN 18 -0.239 -12.120 5.146 7 H TRP 19 H TRP 19 0.105 -7.322 6.988 8 HA TRP 19 HA TRP 19 -2.200 -6.737 8.370 9 1HB TRP 19 2HB TRP 19 -3.003 -5.705 6.191 10 2HB TRP 19 1HB TRP 19 -1.474 -5.131 6.831 11 HD1 TRP 19 HD1 TRP 19 -0.756 -8.335 5.177 12 HE1 TRP 19 HE1 TRP 19 0.177 -7.941 2.817 13 HE3 TRP 19 HE3 TRP 19 -1.997 -3.414 4.636 14 HZ2 TRP 19 HZ2 TRP 19 0.351 -5.813 0.954 15 HZ3 TRP 19 HZ3 TRP 19 -1.421 -2.269 2.535 16 HH2 TRP 19 HH2 TRP 19 -0.271 -3.447 0.733 17 H ASP 20 H ASP 20 -4.349 -7.238 8.177 18 HA ASP 20 HA ASP 20 -4.683 -10.072 7.688 19 1HB ASP 20 2HB ASP 20 -5.367 -9.069 9.832 20 2HB ASP 20 1HB ASP 20 -6.530 -8.058 8.989 21 H ASP 21 H ASP 21 -6.540 -10.959 6.680 22 HA ASP 21 HA ASP 21 -7.125 -10.155 4.100 23 1HB ASP 21 2HB ASP 21 -7.560 -12.405 5.152 24 2HB ASP 21 1HB ASP 21 -8.968 -11.708 5.933 25 H ALA 22 H ALA 22 -8.924 -9.567 7.077 26 HA ALA 22 HA ALA 22 -10.940 -7.994 5.710 27 1HB ALA 22 1HB ALA 22 -11.553 -9.498 7.551 28 2HB ALA 22 2HB ALA 22 -11.990 -7.824 7.891 29 3HB ALA 22 3HB ALA 22 -10.565 -8.538 8.652 30 H ASP 23 H ASP 23 -8.220 -7.534 7.878 31 HA ASP 23 HA ASP 23 -8.535 -4.909 8.647 32 1HB ASP 23 2HB ASP 23 -6.771 -5.989 9.681 33 2HB ASP 23 1HB ASP 23 -6.129 -6.616 8.166 34 H VAL 24 H VAL 24 -6.884 -6.050 5.678 35 HA VAL 24 HA VAL 24 -6.066 -3.518 4.822 36 HB VAL 24 HB VAL 24 -5.940 -4.477 2.526 37 1HG1 VAL 24 1HG1 VAL 24 -4.233 -6.154 3.061 38 2HG1 VAL 24 2HG1 VAL 24 -4.803 -6.188 4.731 39 3HG1 VAL 24 3HG1 VAL 24 -4.084 -4.717 4.075 40 1HG2 VAL 24 1HG2 VAL 24 -6.428 -6.844 2.185 41 2HG2 VAL 24 2HG2 VAL 24 -7.884 -5.957 2.632 42 3HG2 VAL 24 3HG2 VAL 24 -7.060 -6.957 3.827 43 H LYS 25 H LYS 25 -9.177 -5.112 4.460 44 HA LYS 25 HA LYS 25 -10.220 -3.248 2.558 45 1HB LYS 25 2HB LYS 25 -11.185 -5.456 2.699 46 2HB LYS 25 1HB LYS 25 -11.556 -5.235 4.401 47 1HG LYS 25 2HG LYS 25 -13.611 -4.962 3.358 48 2HG LYS 25 1HG LYS 25 -13.065 -3.307 3.619 49 1HD LYS 25 2HD LYS 25 -12.584 -4.760 1.033 50 2HD LYS 25 1HD LYS 25 -14.077 -3.879 1.343 51 1HE LYS 25 2HE LYS 25 -11.315 -2.680 1.471 52 2HE LYS 25 1HE LYS 25 -12.387 -2.578 0.075 53 1HZ LYS 25 1HZ LYS 25 -12.517 -0.586 1.413 54 2HZ LYS 25 2HZ LYS 25 -12.945 -1.485 2.782 55 3HZ LYS 25 3HZ LYS 25 -14.002 -1.405 1.457 56 H LYS 26 H LYS 26 -10.196 -3.499 6.056 57 HA LYS 26 HA LYS 26 -12.194 -1.413 6.341 58 1HB LYS 26 2HB LYS 26 -11.963 -3.545 7.759 59 2HB LYS 26 1HB LYS 26 -10.638 -2.718 8.561 60 1HG LYS 26 2HG LYS 26 -12.123 -0.975 9.310 61 2HG LYS 26 1HG LYS 26 -13.461 -1.686 8.402 62 1HD LYS 26 2HD LYS 26 -13.163 -3.764 9.772 63 2HD LYS 26 1HD LYS 26 -12.010 -2.872 10.763 64 1HE LYS 26 2HE LYS 26 -13.745 -1.255 11.336 65 2HE LYS 26 1HE LYS 26 -14.898 -2.127 10.327 66 1HZ LYS 26 1HZ LYS 26 -15.215 -2.751 12.603 67 2HZ LYS 26 2HZ LYS 26 -13.576 -3.135 12.787 68 3HZ LYS 26 3HZ LYS 26 -14.558 -4.079 11.777 69 H ARG 27 H ARG 27 -8.745 -1.880 6.985 70 HA ARG 27 HA ARG 27 -8.464 0.670 8.290 71 1HB ARG 27 2HB ARG 27 -7.097 -1.221 8.970 72 2HB ARG 27 1HB ARG 27 -6.416 -1.340 7.355 73 1HG ARG 27 2HG ARG 27 -5.342 0.816 7.623 74 2HG ARG 27 1HG ARG 27 -6.065 0.993 9.223 75 1HD ARG 27 2HD ARG 27 -3.651 0.181 9.118 76 2HD ARG 27 1HD ARG 27 -4.769 -0.741 10.122 77 HE ARG 27 HE ARG 27 -4.702 -2.500 8.594 78 1HH1 ARG 27 1HH1 ARG 27 -2.724 0.200 7.530 79 2HH1 ARG 27 2HH1 ARG 27 -1.855 -0.733 6.360 80 1HH2 ARG 27 1HH2 ARG 27 -3.581 -3.728 7.074 81 2HH2 ARG 27 2HH2 ARG 27 -2.346 -2.985 6.091 82 H TRP 28 H TRP 28 -7.485 -0.673 5.144 83 HA TRP 28 HA TRP 28 -5.999 1.597 4.335 84 1HB TRP 28 2HB TRP 28 -6.084 -0.861 3.396 85 2HB TRP 28 1HB TRP 28 -7.333 -0.202 2.347 86 HD1 TRP 28 HD1 TRP 28 -3.613 0.290 3.191 87 HE1 TRP 28 HE1 TRP 28 -2.444 1.286 1.115 88 HE3 TRP 28 HE3 TRP 28 -7.709 1.028 0.226 89 HZ2 TRP 28 HZ2 TRP 28 -3.167 2.257 -1.429 90 HZ3 TRP 28 HZ3 TRP 28 -7.386 1.991 -2.014 91 HH2 TRP 28 HH2 TRP 28 -5.163 2.593 -2.823 92 H ASP 29 H ASP 29 -9.355 0.691 4.081 93 HA ASP 29 HA ASP 29 -10.178 2.806 2.373 94 1HB ASP 29 2HB ASP 29 -11.519 0.751 2.833 95 2HB ASP 29 1HB ASP 29 -11.799 1.341 4.467 96 H ALA 30 H ALA 30 -10.041 2.368 5.866 97 HA ALA 30 HA ALA 30 -11.204 4.722 6.727 98 1HB ALA 30 1HB ALA 30 -8.905 3.241 7.998 99 2HB ALA 30 2HB ALA 30 -10.617 2.889 8.226 100 3HB ALA 30 3HB ALA 30 -9.947 4.417 8.800 101 H PHE 31 H PHE 31 -7.817 4.113 5.822 102 HA PHE 31 HA PHE 31 -6.677 6.553 6.471 103 1HB PHE 31 2HB PHE 31 -6.110 4.733 4.130 104 2HB PHE 31 1HB PHE 31 -5.144 6.158 4.485 105 HD1 PHE 31 HD1 PHE 31 -5.124 2.779 4.732 106 HD2 PHE 31 HD2 PHE 31 -4.540 6.203 7.186 107 HE1 PHE 31 HE1 PHE 31 -3.731 1.444 6.257 108 HE2 PHE 31 HE2 PHE 31 -3.144 4.876 8.714 109 HZ PHE 31 HZ PHE 31 -2.739 2.493 8.252 110 H THR 32 H THR 32 -8.696 5.721 3.746 111 HA THR 32 HA THR 32 -8.177 8.203 2.358 112 HB THR 32 HB THR 32 -10.257 6.098 1.740 113 HG1 THR 32 HG1 THR 32 -8.404 4.986 1.539 114 1HG2 THR 32 1HG2 THR 32 -10.596 8.243 0.588 115 2HG2 THR 32 2HG2 THR 32 -10.112 6.979 -0.543 116 3HG2 THR 32 3HG2 THR 32 -8.939 8.184 -0.011 117 H LYS 33 H LYS 33 -10.794 6.745 4.220 118 HA LYS 33 HA LYS 33 -12.596 8.932 3.628 119 1HB LYS 33 2HB LYS 33 -13.147 6.412 3.903 120 2HB LYS 33 1HB LYS 33 -13.103 6.745 5.627 121 1HG LYS 33 2HG LYS 33 -14.841 8.309 3.750 122 2HG LYS 33 1HG LYS 33 -15.364 6.785 4.465 123 1HD LYS 33 2HD LYS 33 -14.974 7.756 6.711 124 2HD LYS 33 1HD LYS 33 -14.564 9.292 5.943 125 1HE LYS 33 2HE LYS 33 -16.910 9.164 6.765 126 2HE LYS 33 1HE LYS 33 -16.771 9.501 5.040 127 1HZ LYS 33 1HZ LYS 33 -17.287 7.236 4.541 128 2HZ LYS 33 2HZ LYS 33 -18.479 7.819 5.593 129 3HZ LYS 33 3HZ LYS 33 -17.256 6.799 6.180 130 H PHE 34 H PHE 34 -11.189 7.543 6.602 131 HA PHE 34 HA PHE 34 -11.820 10.072 7.974 132 1HB PHE 34 2HB PHE 34 -12.934 8.017 8.856 133 2HB PHE 34 1HB PHE 34 -11.348 7.347 9.207 134 HD1 PHE 34 HD1 PHE 34 -10.220 7.881 11.192 135 HD2 PHE 34 HD2 PHE 34 -13.663 10.103 10.043 136 HE1 PHE 34 HE1 PHE 34 -10.256 8.958 13.402 137 HE2 PHE 34 HE2 PHE 34 -13.704 11.186 12.252 138 HZ PHE 34 HZ PHE 34 -11.998 10.616 13.932 139 H GLY 35 H GLY 35 -9.578 7.480 8.841 140 1HA GLY 35 2HA GLY 35 -7.199 8.539 7.963 141 2HA GLY 35 1HA GLY 35 -7.491 9.250 9.548 142 H ALA 36 H ALA 36 -6.850 8.159 11.243 143 HA ALA 36 HA ALA 36 -7.012 5.438 11.730 144 1HB ALA 36 1HB ALA 36 -4.737 4.648 11.441 145 2HB ALA 36 2HB ALA 36 -4.252 6.210 10.783 146 3HB ALA 36 3HB ALA 36 -5.386 5.195 9.892 147 H ALA 37 H ALA 37 -5.533 4.790 13.601 148 HA ALA 37 HA ALA 37 -4.740 7.134 15.194 149 1HB ALA 37 1HB ALA 37 -6.895 6.319 16.009 150 2HB ALA 37 2HB ALA 37 -5.623 6.054 17.203 151 3HB ALA 37 3HB ALA 37 -6.211 4.709 16.226 152 H THR 38 H THR 38 -4.421 3.628 14.744 153 HA THR 38 HA THR 38 -1.989 3.462 16.258 154 HB THR 38 HB THR 38 -2.969 1.392 14.297 155 HG1 THR 38 HG1 THR 38 -3.879 1.811 16.975 156 1HG2 THR 38 1HG2 THR 38 -0.809 0.966 15.363 157 2HG2 THR 38 2HG2 THR 38 -2.026 -0.167 15.953 158 3HG2 THR 38 3HG2 THR 38 -1.536 1.201 16.955 159 H ALA 39 H ALA 39 -2.742 4.639 13.260 160 HA ALA 39 HA ALA 39 0.047 4.472 12.389 161 1HB ALA 39 1HB ALA 39 -1.172 2.792 11.085 162 2HB ALA 39 2HB ALA 39 -0.652 4.133 10.063 163 3HB ALA 39 3HB ALA 39 -2.335 4.019 10.582 164 H THR 40 H THR 40 0.813 6.382 11.624 165 HA THR 40 HA THR 40 -0.996 8.486 10.788 166 HB THR 40 HB THR 40 0.724 8.906 13.244 167 HG1 THR 40 HG1 THR 40 -1.826 8.000 12.948 168 1HG2 THR 40 1HG2 THR 40 -1.221 10.751 11.848 169 2HG2 THR 40 2HG2 THR 40 0.534 10.921 11.878 170 3HG2 THR 40 3HG2 THR 40 -0.395 11.093 13.366 171 H GLU 41 H GLU 41 2.282 7.395 11.495 172 HA GLU 41 HA GLU 41 3.315 9.492 9.703 173 1HB GLU 41 2HB GLU 41 4.810 8.068 11.908 174 2HB GLU 41 1HB GLU 41 5.395 9.411 10.937 175 1HG GLU 41 2HG GLU 41 3.644 10.841 11.903 176 2HG GLU 41 1HG GLU 41 3.128 9.492 12.912 177 H MET 42 H MET 42 3.932 8.745 7.799 178 HA MET 42 HA MET 42 5.100 6.058 7.638 179 1HB MET 42 2HB MET 42 4.013 7.895 5.501 180 2HB MET 42 1HB MET 42 4.900 6.421 5.142 181 1HG MET 42 2HG MET 42 2.283 6.638 6.606 182 2HG MET 42 1HG MET 42 2.540 6.014 4.977 183 1HE MET 42 1HE MET 42 1.574 2.764 6.886 184 2HE MET 42 2HE MET 42 1.294 3.754 5.453 185 3HE MET 42 3HE MET 42 0.889 4.381 7.051 186 H THR 43 H THR 43 7.138 5.756 6.695 187 HA THR 43 HA THR 43 8.728 8.195 6.281 188 HB THR 43 HB THR 43 10.686 6.937 7.279 189 HG1 THR 43 HG1 THR 43 8.952 5.379 8.787 190 1HG2 THR 43 1HG2 THR 43 8.384 7.561 9.133 191 2HG2 THR 43 2HG2 THR 43 9.542 8.729 8.495 192 3HG2 THR 43 3HG2 THR 43 10.085 7.458 9.593 193 H GLY 44 H GLY 44 10.273 8.101 4.674 194 1HA GLY 44 2HA GLY 44 9.746 6.453 2.480 195 2HA GLY 44 1HA GLY 44 11.205 7.406 2.696 196 H LYS 45 H LYS 45 12.210 6.146 4.985 197 HA LYS 45 HA LYS 45 13.648 4.019 3.886 198 1HB LYS 45 2HB LYS 45 14.447 5.346 5.770 199 2HB LYS 45 1HB LYS 45 13.151 4.728 6.782 200 1HG LYS 45 2HG LYS 45 14.097 2.515 6.720 201 2HG LYS 45 1HG LYS 45 15.337 3.043 5.578 202 1HD LYS 45 2HD LYS 45 16.182 2.909 7.891 203 2HD LYS 45 1HD LYS 45 16.272 4.544 7.235 204 1HE LYS 45 2HE LYS 45 14.141 5.070 8.404 205 2HE LYS 45 1HE LYS 45 14.189 3.469 9.136 206 1HZ LYS 45 1HZ LYS 45 16.271 5.562 9.468 207 2HZ LYS 45 2HZ LYS 45 16.254 4.041 10.216 208 3HZ LYS 45 3HZ LYS 45 15.070 5.192 10.611 209 H ASN 46 H ASN 46 10.951 3.955 6.209 210 HA ASN 46 HA ASN 46 10.820 1.142 6.398 211 1HB ASN 46 2HB ASN 46 9.846 2.613 8.103 212 2HB ASN 46 1HB ASN 46 8.666 3.201 6.938 213 1HD2 ASN 46 1HD2 ASN 46 9.645 0.545 8.941 214 2HD2 ASN 46 2HD2 ASN 46 8.174 -0.357 8.806 215 H PHE 47 H PHE 47 8.969 3.479 4.456 216 HA PHE 47 HA PHE 47 7.236 1.587 3.300 217 1HB PHE 47 2HB PHE 47 6.878 4.065 3.319 218 2HB PHE 47 1HB PHE 47 8.126 4.208 2.085 219 HD1 PHE 47 HD1 PHE 47 7.607 3.957 -0.170 220 HD2 PHE 47 HD2 PHE 47 4.835 2.657 2.785 221 HE1 PHE 47 HE1 PHE 47 5.930 3.554 -1.926 222 HE2 PHE 47 HE2 PHE 47 3.153 2.253 1.037 223 HZ PHE 47 HZ PHE 47 3.699 2.698 -1.321 224 H ASP 48 H ASP 48 10.362 2.870 2.249 225 HA ASP 48 HA ASP 48 10.492 1.607 -0.254 226 1HB ASP 48 2HB ASP 48 12.078 3.326 0.267 227 2HB ASP 48 1HB ASP 48 12.659 2.448 1.678 228 H LYS 49 H LYS 49 10.976 0.407 2.965 229 HA LYS 49 HA LYS 49 12.263 -2.038 2.073 230 1HB LYS 49 2HB LYS 49 12.896 -0.969 4.220 231 2HB LYS 49 1HB LYS 49 11.270 -1.248 4.820 232 1HG LYS 49 2HG LYS 49 11.606 -3.651 4.660 233 2HG LYS 49 1HG LYS 49 13.233 -3.388 4.026 234 1HD LYS 49 2HD LYS 49 13.818 -2.206 6.110 235 2HD LYS 49 1HD LYS 49 12.208 -2.559 6.739 236 1HE LYS 49 2HE LYS 49 12.667 -4.951 6.569 237 2HE LYS 49 1HE LYS 49 14.271 -4.601 5.925 238 1HZ LYS 49 1HZ LYS 49 14.359 -5.103 8.280 239 2HZ LYS 49 2HZ LYS 49 13.285 -3.835 8.622 240 3HZ LYS 49 3HZ LYS 49 14.824 -3.499 8.005 241 H TRP 50 H TRP 50 9.248 -1.065 3.624 242 HA TRP 50 HA TRP 50 7.836 -3.427 3.694 243 1HB TRP 50 2HB TRP 50 6.879 -1.513 4.697 244 2HB TRP 50 1HB TRP 50 7.014 -0.565 3.224 245 HD1 TRP 50 HD1 TRP 50 4.964 -0.527 1.638 246 HE1 TRP 50 HE1 TRP 50 2.643 -1.632 1.664 247 HE3 TRP 50 HE3 TRP 50 5.672 -3.817 5.492 248 HZ2 TRP 50 HZ2 TRP 50 1.285 -3.634 3.125 249 HZ3 TRP 50 HZ3 TRP 50 3.811 -5.288 6.138 250 HH2 TRP 50 HH2 TRP 50 1.665 -5.197 4.980 251 H LEU 51 H LEU 51 8.278 -1.205 0.967 252 HA LEU 51 HA LEU 51 6.404 -2.763 -0.620 253 1HB LEU 51 2HB LEU 51 6.762 -0.153 -0.578 254 2HB LEU 51 1HB LEU 51 7.977 -0.520 -1.790 255 HG LEU 51 HG LEU 51 6.290 -1.568 -3.210 256 1HD1 LEU 51 1HD1 LEU 51 4.836 -2.458 -1.480 257 2HD1 LEU 51 2HD1 LEU 51 3.913 -1.449 -2.595 258 3HD1 LEU 51 3HD1 LEU 51 4.365 -0.827 -1.009 259 1HD2 LEU 51 1HD2 LEU 51 5.478 1.158 -2.213 260 2HD2 LEU 51 2HD2 LEU 51 4.956 0.428 -3.730 261 3HD2 LEU 51 3HD2 LEU 51 6.658 0.814 -3.477 262 H LYS 52 H LYS 52 9.870 -2.217 -0.442 263 HA LYS 52 HA LYS 52 10.594 -3.442 -2.878 264 1HB LYS 52 2HB LYS 52 12.009 -2.120 -1.074 265 2HB LYS 52 1HB LYS 52 12.320 -3.733 -0.456 266 1HG LYS 52 2HG LYS 52 14.125 -3.329 -1.844 267 2HG LYS 52 1HG LYS 52 13.047 -4.281 -2.865 268 1HD LYS 52 2HD LYS 52 12.256 -2.291 -3.972 269 2HD LYS 52 1HD LYS 52 13.176 -1.269 -2.868 270 1HE LYS 52 2HE LYS 52 15.255 -2.373 -3.731 271 2HE LYS 52 1HE LYS 52 14.254 -3.159 -4.951 272 1HZ LYS 52 1HZ LYS 52 13.574 -0.928 -5.712 273 2HZ LYS 52 2HZ LYS 52 15.239 -1.195 -5.873 274 3HZ LYS 52 3HZ LYS 52 14.651 -0.235 -4.602 275 H ASP 53 H ASP 53 10.201 -4.723 0.402 276 HA ASP 53 HA ASP 53 11.046 -7.364 -0.240 277 1HB ASP 53 2HB ASP 53 11.190 -6.468 2.035 278 2HB ASP 53 1HB ASP 53 9.434 -6.364 2.117 279 H ALA 54 H ALA 54 7.901 -5.794 -0.051 280 HA ALA 54 HA ALA 54 6.332 -8.134 -0.407 281 1HB ALA 54 1HB ALA 54 5.431 -6.007 0.460 282 2HB ALA 54 2HB ALA 54 4.508 -6.620 -0.912 283 3HB ALA 54 3HB ALA 54 5.640 -5.288 -1.137 284 H GLY 55 H GLY 55 8.056 -6.031 -2.581 285 1HA GLY 55 2HA GLY 55 8.704 -6.537 -4.763 286 2HA GLY 55 1HA GLY 55 7.593 -7.900 -4.749 287 H VAL 56 H VAL 56 6.910 -4.496 -4.052 288 HA VAL 56 HA VAL 56 5.267 -4.404 -6.506 289 HB VAL 56 HB VAL 56 4.578 -2.977 -3.930 290 1HG1 VAL 56 1HG1 VAL 56 3.626 -1.971 -5.931 291 2HG1 VAL 56 2HG1 VAL 56 2.362 -2.728 -4.964 292 3HG1 VAL 56 3HG1 VAL 56 2.956 -3.529 -6.418 293 1HG2 VAL 56 1HG2 VAL 56 4.464 -5.373 -3.515 294 2HG2 VAL 56 2HG2 VAL 56 3.455 -5.587 -4.945 295 3HG2 VAL 56 3HG2 VAL 56 2.845 -4.672 -3.566 296 H LEU 57 H LEU 57 7.918 -3.222 -4.982 297 HA LEU 57 HA LEU 57 7.511 -0.419 -5.626 298 1HB LEU 57 2HB LEU 57 8.464 -0.961 -3.469 299 2HB LEU 57 1HB LEU 57 9.767 -1.848 -4.237 300 HG LEU 57 HG LEU 57 10.618 0.238 -5.214 301 1HD1 LEU 57 1HD1 LEU 57 9.701 2.387 -4.491 302 2HD1 LEU 57 2HD1 LEU 57 8.398 1.547 -3.650 303 3HD1 LEU 57 3HD1 LEU 57 8.519 1.449 -5.407 304 1HD2 LEU 57 1HD2 LEU 57 11.417 1.245 -3.139 305 2HD2 LEU 57 2HD2 LEU 57 11.462 -0.516 -3.060 306 3HD2 LEU 57 3HD2 LEU 57 10.180 0.370 -2.235 307 H ASP 58 H ASP 58 9.469 -3.133 -6.726 308 HA ASP 58 HA ASP 58 10.709 -1.322 -8.689 309 1HB ASP 58 2HB ASP 58 12.275 -2.050 -6.881 310 2HB ASP 58 1HB ASP 58 12.050 -3.711 -7.419 311 H ASN 59 H ASN 59 10.860 -4.825 -8.236 312 HA ASN 59 HA ASN 59 10.427 -6.569 -9.629 313 1HB ASN 59 2HB ASN 59 8.233 -4.696 -10.501 314 2HB ASN 59 1HB ASN 59 8.372 -6.351 -11.085 315 1HD2 ASN 59 1HD2 ASN 59 6.296 -5.031 -9.460 316 2HD2 ASN 59 2HD2 ASN 59 6.157 -5.994 -8.027 317 H LYS 60 H LYS 60 12.142 -4.202 -10.585 318 HA LYS 60 HA LYS 60 13.572 -3.872 -12.309 319 1HB LYS 60 2HB LYS 60 12.169 -6.214 -13.599 320 2HB LYS 60 1HB LYS 60 13.574 -5.400 -14.270 321 1HG LYS 60 2HG LYS 60 14.844 -6.017 -12.235 322 2HG LYS 60 1HG LYS 60 13.436 -6.933 -11.685 323 1HD LYS 60 2HD LYS 60 13.553 -8.336 -13.666 324 2HD LYS 60 1HD LYS 60 14.925 -7.402 -14.266 325 1HE LYS 60 2HE LYS 60 14.841 -9.087 -11.769 326 2HE LYS 60 1HE LYS 60 15.702 -9.459 -13.261 327 1HZ LYS 60 1HZ LYS 60 16.346 -7.486 -11.187 328 2HZ LYS 60 2HZ LYS 60 16.827 -7.174 -12.780 329 3HZ LYS 60 3HZ LYS 60 17.366 -8.577 -11.990 330 H ALA 61 H ALA 61 10.269 -4.514 -13.367 331 HA ALA 61 HA ALA 61 10.407 -2.870 -15.677 332 1HB ALA 61 1HB ALA 61 8.810 -4.716 -15.442 333 2HB ALA 61 2HB ALA 61 8.010 -3.191 -15.823 334 3HB ALA 61 3HB ALA 61 7.974 -3.819 -14.174 335 H ILE 62 H ILE 62 9.713 -2.208 -12.315 336 HA ILE 62 HA ILE 62 8.416 0.321 -12.957 337 HB ILE 62 HB ILE 62 9.205 -0.670 -10.214 338 1HG1 ILE 62 2HG1 ILE 62 6.636 -1.097 -11.760 339 2HG1 ILE 62 1HG1 ILE 62 7.771 -2.338 -11.242 340 1HG2 ILE 62 1HG2 ILE 62 7.425 0.862 -9.464 341 2HG2 ILE 62 2HG2 ILE 62 7.197 1.388 -11.132 342 3HG2 ILE 62 3HG2 ILE 62 8.724 1.705 -10.308 343 1HD1 ILE 62 1HD1 ILE 62 5.804 -2.311 -9.833 344 2HD1 ILE 62 2HD1 ILE 62 6.089 -0.617 -9.438 345 3HD1 ILE 62 3HD1 ILE 62 7.236 -1.849 -8.911 346 H THR 63 H THR 63 9.346 2.311 -12.778 347 HA THR 63 HA THR 63 12.265 2.254 -12.747 348 HB THR 63 HB THR 63 12.111 4.417 -13.924 349 HG1 THR 63 HG1 THR 63 9.781 4.749 -14.730 350 1HG2 THR 63 1HG2 THR 63 10.431 2.207 -15.077 351 2HG2 THR 63 2HG2 THR 63 12.185 2.358 -15.191 352 3HG2 THR 63 3HG2 THR 63 11.141 3.535 -15.992 353 H GLY 64 H GLY 64 13.486 3.469 -11.443 354 1HA GLY 64 2HA GLY 64 12.505 4.314 -8.954 355 2HA GLY 64 1HA GLY 64 14.083 4.711 -9.618 356 H THR 65 H THR 65 12.644 5.987 -11.975 357 HA THR 65 HA THR 65 12.496 8.608 -10.851 358 HB THR 65 HB THR 65 13.399 8.395 -13.074 359 HG1 THR 65 HG1 THR 65 11.671 10.155 -12.429 360 1HG2 THR 65 1HG2 THR 65 12.045 7.698 -14.989 361 2HG2 THR 65 2HG2 THR 65 10.700 7.332 -13.908 362 3HG2 THR 65 3HG2 THR 65 12.193 6.399 -13.803 363 H MET 66 H MET 66 10.105 6.275 -12.077 364 HA MET 66 HA MET 66 7.888 8.037 -11.833 365 1HB MET 66 2HB MET 66 7.715 6.115 -13.280 366 2HB MET 66 1HB MET 66 8.031 5.020 -11.941 367 1HG MET 66 2HG MET 66 5.672 5.046 -12.562 368 2HG MET 66 1HG MET 66 5.921 5.620 -10.913 369 1HE MET 66 1HE MET 66 3.186 6.066 -12.357 370 2HE MET 66 2HE MET 66 2.860 7.761 -12.006 371 3HE MET 66 3HE MET 66 3.538 6.717 -10.755 372 H THR 67 H THR 67 9.010 5.343 -9.792 373 HA THR 67 HA THR 67 7.139 5.787 -7.734 374 HB THR 67 HB THR 67 8.020 3.680 -7.574 375 HG1 THR 67 HG1 THR 67 8.724 3.657 -5.576 376 1HG2 THR 67 1HG2 THR 67 10.410 3.108 -7.741 377 2HG2 THR 67 2HG2 THR 67 10.785 4.810 -8.008 378 3HG2 THR 67 3HG2 THR 67 9.812 3.927 -9.183 379 H GLY 68 H GLY 68 10.389 7.057 -8.286 380 1HA GLY 68 2HA GLY 68 10.748 8.329 -5.806 381 2HA GLY 68 1HA GLY 68 11.518 8.802 -7.313 382 H ILE 69 H ILE 69 9.365 9.575 -8.841 383 HA ILE 69 HA ILE 69 8.807 12.159 -7.855 384 HB ILE 69 HB ILE 69 7.592 10.598 -10.135 385 1HG1 ILE 69 2HG1 ILE 69 9.518 12.933 -10.072 386 2HG1 ILE 69 1HG1 ILE 69 9.968 11.256 -10.349 387 1HG2 ILE 69 1HG2 ILE 69 5.940 12.206 -9.330 388 2HG2 ILE 69 2HG2 ILE 69 6.580 12.687 -10.904 389 3HG2 ILE 69 3HG2 ILE 69 7.137 13.496 -9.439 390 1HD1 ILE 69 1HD1 ILE 69 9.878 12.522 -12.424 391 2HD1 ILE 69 2HD1 ILE 69 8.184 12.904 -12.122 392 3HD1 ILE 69 3HD1 ILE 69 8.672 11.234 -12.403 393 H ALA 70 H ALA 70 6.868 9.192 -7.993 394 HA ALA 70 HA ALA 70 4.469 10.238 -6.999 395 1HB ALA 70 1HB ALA 70 3.899 7.948 -6.395 396 2HB ALA 70 2HB ALA 70 5.584 7.465 -6.595 397 3HB ALA 70 3HB ALA 70 4.651 8.006 -7.989 398 H PHE 71 H PHE 71 7.223 8.788 -5.279 399 HA PHE 71 HA PHE 71 6.213 9.077 -2.680 400 1HB PHE 71 2HB PHE 71 8.186 7.694 -3.221 401 2HB PHE 71 1HB PHE 71 9.109 9.157 -3.555 402 HD1 PHE 71 HD1 PHE 71 10.216 10.277 -1.844 403 HD2 PHE 71 HD2 PHE 71 7.240 7.395 -0.881 404 HE1 PHE 71 HE1 PHE 71 10.828 10.448 0.531 405 HE2 PHE 71 HE2 PHE 71 7.847 7.557 1.497 406 HZ PHE 71 HZ PHE 71 9.642 9.087 2.205 407 H SER 72 H SER 72 8.131 11.284 -4.671 408 HA SER 72 HA SER 72 8.540 13.285 -2.762 409 1HB SER 72 2HB SER 72 8.233 13.570 -5.761 410 2HB SER 72 1HB SER 72 8.967 14.753 -4.684 411 HG SER 72 HG SER 72 9.892 12.141 -5.299 412 H LYS 73 H LYS 73 5.708 12.472 -4.637 413 HA LYS 73 HA LYS 73 4.390 14.980 -4.097 414 1HB LYS 73 2HB LYS 73 3.453 12.420 -5.385 415 2HB LYS 73 1HB LYS 73 2.439 13.839 -5.185 416 1HG LYS 73 2HG LYS 73 4.049 15.139 -6.529 417 2HG LYS 73 1HG LYS 73 4.976 13.658 -6.788 418 1HD LYS 73 2HD LYS 73 3.049 12.635 -7.881 419 2HD LYS 73 1HD LYS 73 2.103 14.098 -7.599 420 1HE LYS 73 2HE LYS 73 4.611 13.917 -9.262 421 2HE LYS 73 1HE LYS 73 2.965 13.992 -9.890 422 1HZ LYS 73 1HZ LYS 73 2.745 16.178 -8.778 423 2HZ LYS 73 2HZ LYS 73 3.929 16.156 -9.988 424 3HZ LYS 73 3HZ LYS 73 4.389 16.103 -8.358 425 H VAL 74 H VAL 74 4.159 11.625 -2.938 426 HA VAL 74 HA VAL 74 1.864 12.016 -1.349 427 HB VAL 74 HB VAL 74 2.486 9.924 -0.229 428 1HG1 VAL 74 1HG1 VAL 74 2.370 8.496 -2.191 429 2HG1 VAL 74 2HG1 VAL 74 2.810 9.866 -3.211 430 3HG1 VAL 74 3HG1 VAL 74 1.284 9.877 -2.329 431 1HG2 VAL 74 1HG2 VAL 74 4.460 8.676 -0.909 432 2HG2 VAL 74 2HG2 VAL 74 4.910 10.209 -0.159 433 3HG2 VAL 74 3HG2 VAL 74 4.978 10.031 -1.912 434 H THR 75 H THR 75 5.261 12.544 -0.734 435 HA THR 75 HA THR 75 4.713 13.183 2.058 436 HB THR 75 HB THR 75 7.228 13.671 2.083 437 HG1 THR 75 HG1 THR 75 7.201 12.140 -0.325 438 1HG2 THR 75 1HG2 THR 75 6.282 10.874 1.441 439 2HG2 THR 75 2HG2 THR 75 6.220 11.647 3.026 440 3HG2 THR 75 3HG2 THR 75 7.778 11.294 2.279 441 H GLY 76 H GLY 76 6.779 14.845 -0.299 442 1HA GLY 76 2HA GLY 76 6.537 16.981 -1.183 443 2HA GLY 76 1HA GLY 76 5.109 17.208 -0.187 444 HA PRO 77 HA PRO 77 7.622 20.035 2.066 445 1HB PRO 77 2HB PRO 77 5.961 20.432 4.176 446 2HB PRO 77 1HB PRO 77 5.684 21.129 2.576 447 1HG PRO 77 2HG PRO 77 4.483 18.678 3.807 448 2HG PRO 77 1HG PRO 77 3.690 19.969 2.884 449 1HD PRO 77 2HD PRO 77 4.342 17.608 1.764 450 2HD PRO 77 1HD PRO 77 4.409 19.132 0.856 451 H LYS 78 H LYS 78 8.041 20.426 4.556 452 HA LYS 78 HA LYS 78 9.849 18.448 5.341 453 1HB LYS 78 2HB LYS 78 10.231 20.685 6.001 454 2HB LYS 78 1HB LYS 78 8.650 20.818 6.752 455 1HG LYS 78 2HG LYS 78 10.284 20.701 8.475 456 2HG LYS 78 1HG LYS 78 9.399 19.178 8.466 457 1HD LYS 78 2HD LYS 78 11.222 18.116 7.243 458 2HD LYS 78 1HD LYS 78 12.102 19.645 7.212 459 1HE LYS 78 2HE LYS 78 11.322 18.107 9.688 460 2HE LYS 78 1HE LYS 78 12.931 18.154 8.971 461 1HZ LYS 78 1HZ LYS 78 12.998 20.544 9.386 462 2HZ LYS 78 2HZ LYS 78 12.760 19.682 10.826 463 3HZ LYS 78 3HZ LYS 78 11.457 20.478 10.095 464 H LYS 79 H LYS 79 6.492 18.922 6.241 465 HA LYS 79 HA LYS 79 6.348 17.982 8.773 466 1HB LYS 79 2HB LYS 79 4.457 18.857 7.381 467 2HB LYS 79 1HB LYS 79 4.320 17.259 6.665 468 1HG LYS 79 2HG LYS 79 3.683 16.286 8.726 469 2HG LYS 79 1HG LYS 79 4.110 17.744 9.624 470 1HD LYS 79 2HD LYS 79 2.324 18.957 8.395 471 2HD LYS 79 1HD LYS 79 1.863 17.434 7.634 472 1HE LYS 79 2HE LYS 79 1.305 16.474 9.765 473 2HE LYS 79 1HE LYS 79 1.920 17.893 10.613 474 1HZ LYS 79 1HZ LYS 79 -0.423 17.825 8.786 475 2HZ LYS 79 2HZ LYS 79 0.180 19.213 9.551 476 3HZ LYS 79 3HZ LYS 79 -0.474 17.956 10.477 477 H LYS 80 H LYS 80 5.473 15.733 6.122 478 HA LYS 80 HA LYS 80 7.220 13.685 6.593 479 1HB LYS 80 2HB LYS 80 5.175 13.792 8.682 480 2HB LYS 80 1HB LYS 80 5.213 12.244 7.849 481 1HG LYS 80 2HG LYS 80 7.313 11.731 8.605 482 2HG LYS 80 1HG LYS 80 7.783 13.424 8.779 483 1HD LYS 80 2HD LYS 80 6.186 13.586 10.695 484 2HD LYS 80 1HD LYS 80 5.950 11.839 10.572 485 1HE LYS 80 2HE LYS 80 8.200 11.401 11.141 486 2HE LYS 80 1HE LYS 80 8.667 13.084 10.904 487 1HZ LYS 80 1HZ LYS 80 6.870 12.079 13.052 488 2HZ LYS 80 2HZ LYS 80 7.341 13.695 12.824 489 3HZ LYS 80 3HZ LYS 80 8.496 12.528 13.246 490 H ALA 81 H ALA 81 4.090 12.402 6.888 491 HA ALA 81 HA ALA 81 3.243 12.557 4.201 492 1HB ALA 81 1HB ALA 81 5.131 11.005 3.843 493 2HB ALA 81 2HB ALA 81 3.575 10.231 3.543 494 3HB ALA 81 3HB ALA 81 4.442 9.911 5.044 495 H THR 82 H THR 82 1.284 12.715 4.531 496 HA THR 82 HA THR 82 -0.066 11.734 6.854 497 HB THR 82 HB THR 82 -1.495 12.884 4.485 498 HG1 THR 82 HG1 THR 82 0.286 14.243 4.640 499 1HG2 THR 82 1HG2 THR 82 -2.741 12.284 6.511 500 2HG2 THR 82 2HG2 THR 82 -2.760 14.026 6.226 501 3HG2 THR 82 3HG2 THR 82 -1.696 13.344 7.457 502 H PHE 83 H PHE 83 -2.405 10.780 6.359 503 HA PHE 83 HA PHE 83 -2.118 8.133 5.612 504 1HB PHE 83 2HB PHE 83 -4.707 9.684 5.468 505 2HB PHE 83 1HB PHE 83 -4.507 7.962 5.779 506 HD1 PHE 83 HD1 PHE 83 -5.043 11.096 7.243 507 HD2 PHE 83 HD2 PHE 83 -3.051 7.394 7.902 508 HE1 PHE 83 HE1 PHE 83 -4.991 11.556 9.664 509 HE2 PHE 83 HE2 PHE 83 -3.000 7.844 10.316 510 HZ PHE 83 HZ PHE 83 -3.972 9.926 11.202 511 H ASP 84 H ASP 84 -2.969 10.893 3.655 512 HA ASP 84 HA ASP 84 -3.952 9.629 1.365 513 1HB ASP 84 2HB ASP 84 -4.171 12.015 1.664 514 2HB ASP 84 1HB ASP 84 -2.423 12.219 1.669 515 H GLU 85 H GLU 85 -0.701 9.995 2.528 516 HA GLU 85 HA GLU 85 0.874 9.756 0.288 517 1HB GLU 85 2HB GLU 85 1.736 10.116 2.547 518 2HB GLU 85 1HB GLU 85 1.248 8.500 3.018 519 1HG GLU 85 2HG GLU 85 3.229 8.922 0.817 520 2HG GLU 85 1HG GLU 85 3.721 8.973 2.506 521 H THR 86 H THR 86 -0.175 7.009 2.309 522 HA THR 86 HA THR 86 0.993 5.064 0.709 523 HB THR 86 HB THR 86 -1.412 4.651 2.486 524 HG1 THR 86 HG1 THR 86 1.231 5.323 3.064 525 1HG2 THR 86 1HG2 THR 86 -0.806 2.728 1.078 526 2HG2 THR 86 2HG2 THR 86 -0.490 2.404 2.782 527 3HG2 THR 86 3HG2 THR 86 0.845 2.794 1.696 528 H LYS 87 H LYS 87 -2.348 6.329 0.621 529 HA LYS 87 HA LYS 87 -3.190 4.344 -1.234 530 1HB LYS 87 2HB LYS 87 -5.206 5.750 -1.577 531 2HB LYS 87 1HB LYS 87 -4.894 5.333 0.096 532 1HG LYS 87 2HG LYS 87 -4.082 7.572 0.537 533 2HG LYS 87 1HG LYS 87 -4.276 8.002 -1.171 534 1HD LYS 87 2HD LYS 87 -6.631 7.796 -1.059 535 2HD LYS 87 1HD LYS 87 -6.563 6.973 0.498 536 1HE LYS 87 2HE LYS 87 -7.172 9.034 1.222 537 2HE LYS 87 1HE LYS 87 -5.426 9.269 1.211 538 1HZ LYS 87 1HZ LYS 87 -7.073 9.935 -1.152 539 2HZ LYS 87 2HZ LYS 87 -5.522 10.508 -0.738 540 3HZ LYS 87 3HZ LYS 87 -6.884 11.033 0.127 541 H LYS 88 H LYS 88 -1.835 7.565 -1.596 542 HA LYS 88 HA LYS 88 -2.382 7.782 -4.378 543 1HB LYS 88 2HB LYS 88 -0.782 9.256 -2.402 544 2HB LYS 88 1HB LYS 88 -0.153 9.310 -4.041 545 1HG LYS 88 2HG LYS 88 -2.465 10.047 -4.757 546 2HG LYS 88 1HG LYS 88 -2.816 10.268 -3.040 547 1HD LYS 88 2HD LYS 88 -0.939 11.814 -2.846 548 2HD LYS 88 1HD LYS 88 -0.552 11.573 -4.550 549 1HE LYS 88 2HE LYS 88 -1.757 13.644 -4.280 550 2HE LYS 88 1HE LYS 88 -2.766 12.484 -5.146 551 1HZ LYS 88 1HZ LYS 88 -4.073 12.125 -3.254 552 2HZ LYS 88 2HZ LYS 88 -3.859 13.806 -3.309 553 3HZ LYS 88 3HZ LYS 88 -2.961 12.866 -2.217 554 H VAL 89 H VAL 89 0.660 7.068 -2.650 555 HA VAL 89 HA VAL 89 2.139 6.711 -5.015 556 HB VAL 89 HB VAL 89 3.178 7.277 -2.875 557 1HG1 VAL 89 1HG1 VAL 89 3.586 5.531 -1.188 558 2HG1 VAL 89 2HG1 VAL 89 2.514 4.451 -2.081 559 3HG1 VAL 89 3HG1 VAL 89 1.877 5.930 -1.365 560 1HG2 VAL 89 1HG2 VAL 89 4.209 4.707 -4.058 561 2HG2 VAL 89 2HG2 VAL 89 5.132 5.812 -3.038 562 3HG2 VAL 89 3HG2 VAL 89 4.567 6.340 -4.624 563 H LEU 90 H LEU 90 0.440 4.402 -2.954 564 HA LEU 90 HA LEU 90 1.480 2.081 -4.227 565 1HB LEU 90 2HB LEU 90 0.535 2.129 -1.936 566 2HB LEU 90 1HB LEU 90 -1.054 2.407 -2.618 567 HG LEU 90 HG LEU 90 -1.071 0.210 -3.617 568 1HD1 LEU 90 1HD1 LEU 90 0.759 -1.371 -3.285 569 2HD1 LEU 90 2HD1 LEU 90 1.703 -0.116 -2.483 570 3HD1 LEU 90 3HD1 LEU 90 1.298 0.041 -4.193 571 1HD2 LEU 90 1HD2 LEU 90 -0.955 -1.173 -1.577 572 2HD2 LEU 90 2HD2 LEU 90 -1.826 0.342 -1.336 573 3HD2 LEU 90 3HD2 LEU 90 -0.174 0.171 -0.746 574 H ALA 91 H ALA 91 -1.377 4.095 -4.748 575 HA ALA 91 HA ALA 91 -2.532 2.370 -6.713 576 1HB ALA 91 1HB ALA 91 -4.009 4.235 -7.219 577 2HB ALA 91 2HB ALA 91 -2.998 5.315 -6.258 578 3HB ALA 91 3HB ALA 91 -3.876 4.001 -5.477 579 H PHE 92 H PHE 92 -0.476 5.259 -6.849 580 HA PHE 92 HA PHE 92 -0.511 5.590 -9.624 581 1HB PHE 92 2HB PHE 92 1.268 6.506 -7.430 582 2HB PHE 92 1HB PHE 92 1.898 6.606 -9.071 583 HD1 PHE 92 HD1 PHE 92 -0.750 7.780 -6.797 584 HD2 PHE 92 HD2 PHE 92 1.081 8.206 -10.617 585 HE1 PHE 92 HE1 PHE 92 -1.979 9.880 -7.147 586 HE2 PHE 92 HE2 PHE 92 -0.143 10.310 -10.971 587 HZ PHE 92 HZ PHE 92 -1.674 11.148 -9.237 588 H VAL 93 H VAL 93 1.805 3.738 -7.615 589 HA VAL 93 HA VAL 93 3.420 2.964 -9.786 590 HB VAL 93 HB VAL 93 4.250 1.156 -8.305 591 1HG1 VAL 93 1HG1 VAL 93 5.234 2.654 -6.611 592 2HG1 VAL 93 2HG1 VAL 93 4.088 3.906 -7.094 593 3HG1 VAL 93 3HG1 VAL 93 5.298 3.326 -8.241 594 1HG2 VAL 93 1HG2 VAL 93 2.261 2.240 -6.325 595 2HG2 VAL 93 2HG2 VAL 93 3.521 1.057 -5.978 596 3HG2 VAL 93 3HG2 VAL 93 2.208 0.649 -7.083 597 H ALA 94 H ALA 94 0.695 1.344 -8.194 598 HA ALA 94 HA ALA 94 0.689 -0.982 -9.752 599 1HB ALA 94 1HB ALA 94 -0.633 -0.757 -7.711 600 2HB ALA 94 2HB ALA 94 -1.640 -1.241 -9.076 601 3HB ALA 94 3HB ALA 94 -1.668 0.428 -8.507 602 H GLU 95 H GLU 95 -1.055 2.089 -10.220 603 HA GLU 95 HA GLU 95 -2.543 1.244 -12.455 604 1HB GLU 95 2HB GLU 95 -3.109 3.201 -11.038 605 2HB GLU 95 1HB GLU 95 -1.740 4.067 -11.722 606 1HG GLU 95 2HG GLU 95 -2.756 3.929 -13.935 607 2HG GLU 95 1HG GLU 95 -4.122 3.047 -13.256 608 H ASP 96 H ASP 96 0.538 2.994 -12.230 609 HA ASP 96 HA ASP 96 0.791 3.524 -14.989 610 1HB ASP 96 2HB ASP 96 2.110 4.555 -13.047 611 2HB ASP 96 1HB ASP 96 3.128 3.120 -13.127 612 H ARG 97 H ARG 97 1.756 0.791 -12.997 613 HA ARG 97 HA ARG 97 3.090 -0.577 -15.135 614 1HB ARG 97 2HB ARG 97 3.610 -0.949 -12.727 615 2HB ARG 97 1HB ARG 97 2.024 -1.676 -12.521 616 1HG ARG 97 2HG ARG 97 3.920 -2.792 -14.547 617 2HG ARG 97 1HG ARG 97 4.120 -3.180 -12.838 618 1HD ARG 97 2HD ARG 97 1.828 -4.042 -12.770 619 2HD ARG 97 1HD ARG 97 1.630 -3.648 -14.477 620 HE ARG 97 HE ARG 97 3.827 -5.275 -14.410 621 1HH1 ARG 97 1HH1 ARG 97 0.517 -5.575 -13.278 622 2HH1 ARG 97 2HH1 ARG 97 0.478 -7.297 -13.470 623 1HH2 ARG 97 1HH2 ARG 97 3.749 -7.541 -14.700 624 2HH2 ARG 97 2HH2 ARG 97 2.303 -8.413 -14.289 625 H ALA 98 H ALA 98 -0.072 -0.818 -13.559 626 HA ALA 98 HA ALA 98 -1.093 -3.026 -14.877 627 1HB ALA 98 1HB ALA 98 -2.163 -1.992 -12.944 628 2HB ALA 98 2HB ALA 98 -3.300 -2.198 -14.277 629 3HB ALA 98 3HB ALA 98 -2.621 -0.606 -13.934 630 H ARG 99 H ARG 99 -1.523 0.412 -15.810 631 HA ARG 99 HA ARG 99 -3.147 -0.287 -18.024 632 1HB ARG 99 2HB ARG 99 -3.582 1.902 -18.222 633 2HB ARG 99 1HB ARG 99 -2.775 2.018 -16.673 634 1HG ARG 99 2HG ARG 99 -1.395 2.453 -19.310 635 2HG ARG 99 1HG ARG 99 -2.136 3.741 -18.365 636 1HD ARG 99 2HD ARG 99 -0.613 2.717 -16.460 637 2HD ARG 99 1HD ARG 99 0.328 2.163 -17.845 638 HE ARG 99 HE ARG 99 0.143 4.828 -16.833 639 1HH1 ARG 99 1HH1 ARG 99 0.504 3.059 -19.848 640 2HH1 ARG 99 2HH1 ARG 99 1.501 4.277 -20.585 641 1HH2 ARG 99 1HH2 ARG 99 1.418 6.438 -17.813 642 2HH2 ARG 99 2HH2 ARG 99 1.991 6.208 -19.435 643 H GLN 100 H GLN 100 0.291 -0.051 -17.680 644 HA GLN 100 HA GLN 100 0.802 0.083 -20.515 645 1HB GLN 100 2HB GLN 100 2.565 -0.447 -18.133 646 2HB GLN 100 1HB GLN 100 3.164 -0.562 -19.783 647 1HG GLN 100 2HG GLN 100 2.483 1.784 -20.143 648 2HG GLN 100 1HG GLN 100 2.022 1.873 -18.442 649 1HE2 GLN 100 1HE2 GLN 100 3.611 1.890 -16.865 650 2HE2 GLN 100 2HE2 GLN 100 5.270 2.201 -17.239 651 H SER 101 H SER 101 0.264 -2.404 -18.171 652 HA SER 101 HA SER 101 1.254 -4.461 -19.999 653 1HB SER 101 2HB SER 101 1.980 -4.571 -17.642 654 2HB SER 101 1HB SER 101 0.299 -4.697 -17.132 655 HG SER 101 HG SER 101 1.205 -6.537 -19.025 656 H LYS 102 H LYS 102 -1.575 -4.148 -17.850 657 HA LYS 102 HA LYS 102 -3.152 -5.634 -19.825 658 1HB LYS 102 2HB LYS 102 -3.678 -5.049 -16.903 659 2HB LYS 102 1HB LYS 102 -4.733 -5.987 -17.953 660 1HG LYS 102 2HG LYS 102 -3.442 -7.822 -17.837 661 2HG LYS 102 1HG LYS 102 -1.941 -6.899 -17.865 662 1HD LYS 102 2HD LYS 102 -2.243 -8.087 -15.743 663 2HD LYS 102 1HD LYS 102 -2.214 -6.336 -15.519 664 1HE LYS 102 2HE LYS 102 -4.684 -6.346 -15.465 665 2HE LYS 102 1HE LYS 102 -4.653 -8.107 -15.580 666 1HZ LYS 102 1HZ LYS 102 -3.324 -6.586 -13.401 667 2HZ LYS 102 2HZ LYS 102 -3.596 -8.262 -13.476 668 3HZ LYS 102 3HZ LYS 102 -4.906 -7.197 -13.291 669 H LYS 103 H LYS 103 -4.169 -3.287 -17.363 670 HA LYS 103 HA LYS 103 -4.421 -0.996 -18.791 671 1HB LYS 103 2HB LYS 103 -5.908 -2.170 -20.368 672 2HB LYS 103 1HB LYS 103 -7.011 -2.543 -19.051 673 1HG LYS 103 2HG LYS 103 -7.546 -0.239 -18.745 674 2HG LYS 103 1HG LYS 103 -6.277 0.259 -19.863 675 1HD LYS 103 2HD LYS 103 -7.469 -0.834 -21.704 676 2HD LYS 103 1HD LYS 103 -8.738 -1.339 -20.585 677 1HE LYS 103 2HE LYS 103 -9.363 0.932 -20.165 678 2HE LYS 103 1HE LYS 103 -7.968 1.537 -21.055 679 1HZ LYS 103 1HZ LYS 103 -10.031 1.673 -22.336 680 2HZ LYS 103 2HZ LYS 103 -10.212 -0.008 -22.246 681 3HZ LYS 103 3HZ LYS 103 -8.896 0.661 -23.086 682 HA PRO 104 HA PRO 104 -7.589 -0.490 -15.314 683 1HB PRO 104 2HB PRO 104 -8.312 -2.982 -14.070 684 2HB PRO 104 1HB PRO 104 -9.325 -1.901 -15.026 685 1HG PRO 104 2HG PRO 104 -8.568 -4.406 -15.835 686 2HG PRO 104 1HG PRO 104 -8.999 -3.094 -16.946 687 1HD PRO 104 2HD PRO 104 -6.290 -4.059 -16.108 688 2HD PRO 104 1HD PRO 104 -6.863 -3.560 -17.715 689 H ILE 105 H ILE 105 -6.831 0.383 -13.529 690 HA ILE 105 HA ILE 105 -4.652 -0.726 -12.048 691 HB ILE 105 HB ILE 105 -4.551 1.576 -12.002 692 1HG1 ILE 105 2HG1 ILE 105 -5.264 2.412 -9.734 693 2HG1 ILE 105 1HG1 ILE 105 -6.050 0.859 -9.477 694 1HG2 ILE 105 1HG2 ILE 105 -7.507 1.678 -11.494 695 2HG2 ILE 105 2HG2 ILE 105 -6.689 2.000 -13.023 696 3HG2 ILE 105 3HG2 ILE 105 -6.441 3.074 -11.647 697 1HD1 ILE 105 1HD1 ILE 105 -3.115 1.294 -9.951 698 2HD1 ILE 105 2HD1 ILE 105 -3.903 -0.261 -9.677 699 3HD1 ILE 105 3HD1 ILE 105 -3.883 0.957 -8.399 700 H GLN 106 H GLN 106 -8.146 -0.377 -11.483 701 HA GLN 106 HA GLN 106 -8.102 -1.207 -8.795 702 1HB GLN 106 2HB GLN 106 -10.043 -0.091 -9.793 703 2HB GLN 106 1HB GLN 106 -10.333 -1.491 -10.816 704 1HG GLN 106 2HG GLN 106 -11.841 -1.424 -8.893 705 2HG GLN 106 1HG GLN 106 -10.811 -2.855 -8.878 706 1HE2 GLN 106 1HE2 GLN 106 -9.168 -3.019 -7.340 707 2HE2 GLN 106 2HE2 GLN 106 -9.148 -2.035 -5.918 708 H ASP 107 H ASP 107 -8.493 -3.031 -11.801 709 HA ASP 107 HA ASP 107 -8.822 -5.575 -10.661 710 1HB ASP 107 2HB ASP 107 -9.228 -5.258 -13.019 711 2HB ASP 107 1HB ASP 107 -7.562 -4.751 -13.284 712 H GLU 108 H GLU 108 -5.934 -3.721 -11.444 713 HA GLU 108 HA GLU 108 -4.072 -5.794 -10.952 714 1HB GLU 108 2HB GLU 108 -3.756 -3.553 -12.209 715 2HB GLU 108 1HB GLU 108 -3.453 -2.874 -10.617 716 1HG GLU 108 2HG GLU 108 -1.391 -3.464 -11.803 717 2HG GLU 108 1HG GLU 108 -1.577 -4.354 -10.292 718 H LEU 109 H LEU 109 -5.212 -3.066 -8.949 719 HA LEU 109 HA LEU 109 -3.673 -3.768 -6.679 720 1HB LEU 109 2HB LEU 109 -4.672 -1.532 -6.997 721 2HB LEU 109 1HB LEU 109 -6.269 -2.227 -6.781 722 HG LEU 109 HG LEU 109 -5.516 -2.956 -4.474 723 1HD1 LEU 109 1HD1 LEU 109 -3.120 -2.816 -4.815 724 2HD1 LEU 109 2HD1 LEU 109 -3.619 -1.744 -3.506 725 3HD1 LEU 109 3HD1 LEU 109 -3.243 -1.077 -5.093 726 1HD2 LEU 109 1HD2 LEU 109 -5.890 -0.768 -3.492 727 2HD2 LEU 109 2HD2 LEU 109 -6.976 -1.036 -4.856 728 3HD2 LEU 109 3HD2 LEU 109 -5.560 -0.000 -5.044 729 H ASP 110 H ASP 110 -6.918 -4.602 -7.753 730 HA ASP 110 HA ASP 110 -7.804 -5.985 -5.486 731 1HB ASP 110 2HB ASP 110 -9.240 -5.403 -7.428 732 2HB ASP 110 1HB ASP 110 -8.398 -6.612 -8.390 733 H ALA 111 H ALA 111 -6.020 -7.109 -8.335 734 HA ALA 111 HA ALA 111 -5.720 -9.787 -7.594 735 1HB ALA 111 1HB ALA 111 -3.830 -8.064 -9.195 736 2HB ALA 111 2HB ALA 111 -5.205 -8.968 -9.832 737 3HB ALA 111 3HB ALA 111 -3.827 -9.828 -9.144 738 H ILE 112 H ILE 112 -3.519 -7.030 -7.056 739 HA ILE 112 HA ILE 112 -1.543 -8.338 -5.602 740 HB ILE 112 HB ILE 112 -2.556 -5.516 -5.178 741 1HG1 ILE 112 2HG1 ILE 112 -0.253 -6.504 -6.878 742 2HG1 ILE 112 1HG1 ILE 112 -1.830 -6.043 -7.511 743 1HG2 ILE 112 1HG2 ILE 112 0.056 -6.805 -4.393 744 2HG2 ILE 112 2HG2 ILE 112 -1.210 -6.240 -3.303 745 3HG2 ILE 112 3HG2 ILE 112 -0.302 -5.083 -4.276 746 1HD1 ILE 112 1HD1 ILE 112 -1.484 -3.769 -6.671 747 2HD1 ILE 112 2HD1 ILE 112 -0.228 -4.257 -7.807 748 3HD1 ILE 112 3HD1 ILE 112 0.108 -4.238 -6.076 749 H THR 113 H THR 113 -4.500 -6.778 -4.430 750 HA THR 113 HA THR 113 -4.019 -7.174 -1.688 751 HB THR 113 HB THR 113 -6.708 -6.880 -3.049 752 HG1 THR 113 HG1 THR 113 -5.343 -5.167 -3.639 753 1HG2 THR 113 1HG2 THR 113 -6.898 -7.520 -0.705 754 2HG2 THR 113 2HG2 THR 113 -7.379 -5.837 -0.920 755 3HG2 THR 113 3HG2 THR 113 -5.796 -6.222 -0.243 756 H GLU 114 H GLU 114 -5.871 -9.118 -4.042 757 HA GLU 114 HA GLU 114 -6.697 -10.978 -2.043 758 1HB GLU 114 2HB GLU 114 -7.608 -12.323 -3.848 759 2HB GLU 114 1HB GLU 114 -8.066 -10.639 -4.027 760 1HG GLU 114 2HG GLU 114 -7.526 -11.043 -6.165 761 2HG GLU 114 1HG GLU 114 -5.906 -10.659 -5.588 762 H LYS 115 H LYS 115 -4.052 -10.934 -4.401 763 HA LYS 115 HA LYS 115 -3.117 -13.538 -4.034 764 1HB LYS 115 2HB LYS 115 -1.619 -10.992 -4.640 765 2HB LYS 115 1HB LYS 115 -0.832 -12.561 -4.586 766 1HG LYS 115 2HG LYS 115 -2.368 -13.338 -6.373 767 2HG LYS 115 1HG LYS 115 -3.024 -11.702 -6.466 768 1HD LYS 115 2HD LYS 115 -1.388 -11.947 -8.200 769 2HD LYS 115 1HD LYS 115 -0.711 -10.888 -6.959 770 1HE LYS 115 2HE LYS 115 0.509 -12.805 -6.019 771 2HE LYS 115 1HE LYS 115 -0.145 -13.829 -7.293 772 1HZ LYS 115 1HZ LYS 115 0.976 -12.384 -8.924 773 2HZ LYS 115 2HZ LYS 115 2.058 -13.148 -7.865 774 3HZ LYS 115 3HZ LYS 115 1.680 -11.512 -7.647 775 H LEU 116 H LEU 116 -2.556 -10.642 -2.098 776 HA LEU 116 HA LEU 116 -0.617 -11.781 -0.367 777 1HB LEU 116 2HB LEU 116 -2.534 -9.507 0.098 778 2HB LEU 116 1HB LEU 116 -1.147 -9.876 1.104 779 HG LEU 116 HG LEU 116 -0.911 -9.190 -1.820 780 1HD1 LEU 116 1HD1 LEU 116 -0.236 -6.953 -1.083 781 2HD1 LEU 116 2HD1 LEU 116 -0.673 -7.376 0.573 782 3HD1 LEU 116 3HD1 LEU 116 -1.916 -7.307 -0.678 783 1HD2 LEU 116 1HD2 LEU 116 1.099 -9.227 0.431 784 2HD2 LEU 116 2HD2 LEU 116 1.425 -8.757 -1.239 785 3HD2 LEU 116 3HD2 LEU 116 0.971 -10.418 -0.863 786 H ALA 117 H ALA 117 -4.127 -11.404 -0.145 787 HA ALA 117 HA ALA 117 -4.468 -12.647 2.372 788 1HB ALA 117 1HB ALA 117 -6.196 -11.274 1.294 789 2HB ALA 117 2HB ALA 117 -6.812 -12.876 1.701 790 3HB ALA 117 3HB ALA 117 -6.379 -12.494 0.035 791 H LYS 118 H LYS 118 -4.351 -13.795 -0.909 792 HA LYS 118 HA LYS 118 -4.975 -16.525 -0.379 793 1HB LYS 118 2HB LYS 118 -5.346 -15.317 -2.529 794 2HB LYS 118 1HB LYS 118 -3.609 -15.269 -2.762 795 1HG LYS 118 2HG LYS 118 -3.483 -17.586 -3.107 796 2HG LYS 118 1HG LYS 118 -5.106 -17.849 -2.458 797 1HD LYS 118 2HD LYS 118 -5.061 -17.988 -4.917 798 2HD LYS 118 1HD LYS 118 -6.081 -16.666 -4.345 799 1HE LYS 118 2HE LYS 118 -4.011 -15.188 -4.660 800 2HE LYS 118 1HE LYS 118 -3.353 -16.531 -5.596 801 1HZ LYS 118 1HZ LYS 118 -5.355 -16.403 -7.017 802 2HZ LYS 118 2HZ LYS 118 -4.415 -14.996 -7.064 803 3HZ LYS 118 3HZ LYS 118 -5.845 -15.015 -6.164 804 H LEU 119 H LEU 119 -2.192 -14.613 -0.015 805 HA LEU 119 HA LEU 119 -0.209 -16.674 -0.301 806 1HB LEU 119 2HB LEU 119 0.153 -14.182 -0.548 807 2HB LEU 119 1HB LEU 119 0.002 -14.055 1.192 808 HG LEU 119 HG LEU 119 1.981 -15.594 1.391 809 1HD1 LEU 119 1HD1 LEU 119 2.190 -15.068 -1.572 810 2HD1 LEU 119 2HD1 LEU 119 1.867 -16.625 -0.809 811 3HD1 LEU 119 3HD1 LEU 119 3.424 -15.834 -0.574 812 1HD2 LEU 119 1HD2 LEU 119 3.617 -13.840 0.832 813 2HD2 LEU 119 2HD2 LEU 119 2.212 -13.199 1.683 814 3HD2 LEU 119 3HD2 LEU 119 2.366 -12.976 -0.060 815 H GLU 120 H GLU 120 -2.505 -17.167 1.468 816 HA GLU 120 HA GLU 120 -3.004 -18.248 3.376 817 1HB GLU 120 2HB GLU 120 -0.023 -18.303 3.853 818 2HB GLU 120 1HB GLU 120 -1.220 -19.193 4.782 819 1HG GLU 120 2HG GLU 120 -1.834 -20.447 2.773 820 2HG GLU 120 1HG GLU 120 -0.612 -19.562 1.857 Start of MODEL 10 1 H ASN 18 H ASN 18 -5.001 -8.505 7.876 2 HA ASN 18 HA ASN 18 -2.884 -9.607 6.431 3 1HB ASN 18 2HB ASN 18 -3.928 -11.611 5.492 4 2HB ASN 18 1HB ASN 18 -3.781 -11.780 7.234 5 1HD2 ASN 18 1HD2 ASN 18 -5.654 -11.750 8.502 6 2HD2 ASN 18 2HD2 ASN 18 -7.225 -11.988 7.822 7 H TRP 19 H TRP 19 -2.925 -8.300 4.827 8 HA TRP 19 HA TRP 19 -4.976 -6.544 4.256 9 1HB TRP 19 2HB TRP 19 -2.670 -7.331 2.470 10 2HB TRP 19 1HB TRP 19 -3.650 -5.872 2.311 11 HD1 TRP 19 HD1 TRP 19 -0.876 -7.403 4.422 12 HE1 TRP 19 HE1 TRP 19 0.120 -5.588 5.942 13 HE3 TRP 19 HE3 TRP 19 -4.231 -3.644 3.515 14 HZ2 TRP 19 HZ2 TRP 19 -0.435 -2.913 6.661 15 HZ3 TRP 19 HZ3 TRP 19 -3.924 -1.492 4.663 16 HH2 TRP 19 HH2 TRP 19 -2.065 -1.136 6.204 17 H ASP 20 H ASP 20 -6.860 -7.476 3.909 18 HA ASP 20 HA ASP 20 -7.257 -9.191 1.559 19 1HB ASP 20 2HB ASP 20 -8.028 -10.141 3.662 20 2HB ASP 20 1HB ASP 20 -8.918 -8.676 4.044 21 H ASP 21 H ASP 21 -9.280 -8.748 0.314 22 HA ASP 21 HA ASP 21 -9.667 -6.323 -0.800 23 1HB ASP 21 2HB ASP 21 -10.909 -8.263 -1.534 24 2HB ASP 21 1HB ASP 21 -11.796 -8.323 -0.025 25 H ALA 22 H ALA 22 -11.257 -7.443 2.149 26 HA ALA 22 HA ALA 22 -12.522 -4.873 2.583 27 1HB ALA 22 1HB ALA 22 -13.731 -6.926 3.066 28 2HB ALA 22 2HB ALA 22 -13.523 -5.961 4.528 29 3HB ALA 22 3HB ALA 22 -12.511 -7.380 4.255 30 H ASP 23 H ASP 23 -9.902 -6.783 3.958 31 HA ASP 23 HA ASP 23 -9.552 -5.296 6.328 32 1HB ASP 23 2HB ASP 23 -8.686 -7.624 5.840 33 2HB ASP 23 1HB ASP 23 -7.399 -6.864 4.910 34 H VAL 24 H VAL 24 -7.940 -5.079 3.164 35 HA VAL 24 HA VAL 24 -6.075 -3.093 3.829 36 HB VAL 24 HB VAL 24 -7.473 -3.502 1.173 37 1HG1 VAL 24 1HG1 VAL 24 -6.425 -1.300 1.326 38 2HG1 VAL 24 2HG1 VAL 24 -5.555 -2.339 0.196 39 3HG1 VAL 24 3HG1 VAL 24 -4.905 -2.051 1.810 40 1HG2 VAL 24 1HG2 VAL 24 -4.853 -4.575 2.209 41 2HG2 VAL 24 2HG2 VAL 24 -5.452 -4.761 0.561 42 3HG2 VAL 24 3HG2 VAL 24 -6.319 -5.507 1.904 43 H LYS 25 H LYS 25 -9.413 -2.867 2.708 44 HA LYS 25 HA LYS 25 -9.384 -0.030 2.496 45 1HB LYS 25 2HB LYS 25 -11.626 -2.041 2.469 46 2HB LYS 25 1HB LYS 25 -11.883 -0.311 2.266 47 1HG LYS 25 2HG LYS 25 -10.479 -0.310 0.288 48 2HG LYS 25 1HG LYS 25 -10.142 -2.026 0.506 49 1HD LYS 25 2HD LYS 25 -11.840 -1.679 -1.206 50 2HD LYS 25 1HD LYS 25 -12.508 -2.536 0.183 51 1HE LYS 25 2HE LYS 25 -13.606 -0.571 0.968 52 2HE LYS 25 1HE LYS 25 -12.759 0.440 -0.203 53 1HZ LYS 25 1HZ LYS 25 -15.137 -0.189 -0.731 54 2HZ LYS 25 2HZ LYS 25 -14.560 -1.750 -1.051 55 3HZ LYS 25 3HZ LYS 25 -13.998 -0.432 -1.961 56 H LYS 26 H LYS 26 -10.303 -2.270 5.077 57 HA LYS 26 HA LYS 26 -11.517 -0.265 6.689 58 1HB LYS 26 2HB LYS 26 -11.474 -1.806 8.508 59 2HB LYS 26 1HB LYS 26 -11.825 -2.734 7.060 60 1HG LYS 26 2HG LYS 26 -9.608 -3.607 6.997 61 2HG LYS 26 1HG LYS 26 -9.088 -2.520 8.284 62 1HD LYS 26 2HD LYS 26 -9.412 -4.712 9.208 63 2HD LYS 26 1HD LYS 26 -10.683 -3.649 9.814 64 1HE LYS 26 2HE LYS 26 -12.263 -4.572 8.248 65 2HE LYS 26 1HE LYS 26 -11.000 -5.543 7.488 66 1HZ LYS 26 1HZ LYS 26 -10.736 -6.771 9.539 67 2HZ LYS 26 2HZ LYS 26 -12.350 -6.850 9.025 68 3HZ LYS 26 3HZ LYS 26 -11.916 -5.822 10.305 69 H ARG 27 H ARG 27 -8.211 -1.498 6.412 70 HA ARG 27 HA ARG 27 -7.137 0.112 8.478 71 1HB ARG 27 2HB ARG 27 -6.060 -1.592 6.336 72 2HB ARG 27 1HB ARG 27 -5.016 -0.253 6.794 73 1HG ARG 27 2HG ARG 27 -4.387 -2.144 8.088 74 2HG ARG 27 1HG ARG 27 -5.200 -1.008 9.162 75 1HD ARG 27 2HD ARG 27 -7.318 -2.401 8.627 76 2HD ARG 27 1HD ARG 27 -6.172 -3.629 8.092 77 HE ARG 27 HE ARG 27 -5.981 -2.479 10.799 78 1HH1 ARG 27 1HH1 ARG 27 -6.322 -5.268 8.688 79 2HH1 ARG 27 2HH1 ARG 27 -6.284 -6.408 10.000 80 1HH2 ARG 27 1HH2 ARG 27 -5.876 -4.000 12.511 81 2HH2 ARG 27 2HH2 ARG 27 -6.033 -5.694 12.151 82 H TRP 28 H TRP 28 -7.331 0.586 4.946 83 HA TRP 28 HA TRP 28 -6.160 3.122 4.822 84 1HB TRP 28 2HB TRP 28 -8.302 1.800 3.169 85 2HB TRP 28 1HB TRP 28 -7.774 3.439 2.827 86 HD1 TRP 28 HD1 TRP 28 -4.886 1.340 3.899 87 HE1 TRP 28 HE1 TRP 28 -3.500 0.653 1.840 88 HE3 TRP 28 HE3 TRP 28 -8.170 2.680 0.216 89 HZ2 TRP 28 HZ2 TRP 28 -3.767 0.670 -0.965 90 HZ3 TRP 28 HZ3 TRP 28 -7.526 2.310 -2.130 91 HH2 TRP 28 HH2 TRP 28 -5.369 1.325 -2.704 92 H ASP 29 H ASP 29 -9.471 2.154 5.473 93 HA ASP 29 HA ASP 29 -10.696 4.659 5.582 94 1HB ASP 29 2HB ASP 29 -11.938 2.548 5.543 95 2HB ASP 29 1HB ASP 29 -11.335 2.149 7.146 96 H ALA 30 H ALA 30 -9.076 2.778 8.095 97 HA ALA 30 HA ALA 30 -9.627 4.289 10.331 98 1HB ALA 30 1HB ALA 30 -7.584 3.387 11.300 99 2HB ALA 30 2HB ALA 30 -7.020 2.911 9.697 100 3HB ALA 30 3HB ALA 30 -8.449 2.146 10.392 101 H PHE 31 H PHE 31 -7.031 4.812 7.956 102 HA PHE 31 HA PHE 31 -5.804 6.992 9.206 103 1HB PHE 31 2HB PHE 31 -6.037 6.288 6.279 104 2HB PHE 31 1HB PHE 31 -5.049 7.614 6.878 105 HD1 PHE 31 HD1 PHE 31 -3.138 7.115 8.405 106 HD2 PHE 31 HD2 PHE 31 -5.267 4.072 6.327 107 HE1 PHE 31 HE1 PHE 31 -1.259 5.569 8.758 108 HE2 PHE 31 HE2 PHE 31 -3.391 2.518 6.674 109 HZ PHE 31 HZ PHE 31 -1.383 3.268 7.893 110 H THR 32 H THR 32 -8.195 7.079 6.547 111 HA THR 32 HA THR 32 -8.254 9.918 6.588 112 HB THR 32 HB THR 32 -8.633 8.677 4.521 113 HG1 THR 32 HG1 THR 32 -10.676 9.829 3.938 114 1HG2 THR 32 1HG2 THR 32 -11.264 7.835 5.741 115 2HG2 THR 32 2HG2 THR 32 -9.890 6.775 5.426 116 3HG2 THR 32 3HG2 THR 32 -10.746 7.533 4.082 117 H LYS 33 H LYS 33 -10.413 7.444 7.927 118 HA LYS 33 HA LYS 33 -12.431 9.402 8.581 119 1HB LYS 33 2HB LYS 33 -13.093 7.156 7.910 120 2HB LYS 33 1HB LYS 33 -12.219 6.469 9.272 121 1HG LYS 33 2HG LYS 33 -13.738 7.554 10.824 122 2HG LYS 33 1HG LYS 33 -14.591 8.315 9.481 123 1HD LYS 33 2HD LYS 33 -14.308 5.333 9.615 124 2HD LYS 33 1HD LYS 33 -15.556 6.154 10.550 125 1HE LYS 33 2HE LYS 33 -16.458 5.386 8.437 126 2HE LYS 33 1HE LYS 33 -16.440 7.146 8.487 127 1HZ LYS 33 1HZ LYS 33 -14.372 5.488 7.136 128 2HZ LYS 33 2HZ LYS 33 -14.534 7.180 7.070 129 3HZ LYS 33 3HZ LYS 33 -15.699 6.189 6.349 130 H PHE 34 H PHE 34 -10.104 7.423 10.411 131 HA PHE 34 HA PHE 34 -10.927 8.779 12.865 132 1HB PHE 34 2HB PHE 34 -9.101 6.405 12.438 133 2HB PHE 34 1HB PHE 34 -9.593 7.046 13.994 134 HD1 PHE 34 HD1 PHE 34 -10.574 5.045 11.125 135 HD2 PHE 34 HD2 PHE 34 -11.892 6.771 14.786 136 HE1 PHE 34 HE1 PHE 34 -12.548 3.575 11.103 137 HE2 PHE 34 HE2 PHE 34 -13.867 5.306 14.770 138 HZ PHE 34 HZ PHE 34 -14.198 3.706 12.927 139 H GLY 35 H GLY 35 -7.925 7.834 11.221 140 1HA GLY 35 2HA GLY 35 -6.545 10.142 11.109 141 2HA GLY 35 1HA GLY 35 -6.366 9.693 12.801 142 H ALA 36 H ALA 36 -6.136 7.042 12.755 143 HA ALA 36 HA ALA 36 -4.753 5.681 10.840 144 1HB ALA 36 1HB ALA 36 -2.957 7.365 11.036 145 2HB ALA 36 2HB ALA 36 -2.418 5.756 11.515 146 3HB ALA 36 3HB ALA 36 -2.788 6.963 12.746 147 H ALA 37 H ALA 37 -4.239 3.599 11.564 148 HA ALA 37 HA ALA 37 -5.250 2.896 14.166 149 1HB ALA 37 1HB ALA 37 -4.715 0.608 13.514 150 2HB ALA 37 2HB ALA 37 -3.873 1.207 12.085 151 3HB ALA 37 3HB ALA 37 -5.615 1.437 12.244 152 H THR 38 H THR 38 -2.121 2.437 12.537 153 HA THR 38 HA THR 38 -0.758 3.480 14.841 154 HB THR 38 HB THR 38 -0.847 1.200 15.572 155 HG1 THR 38 HG1 THR 38 1.140 1.904 16.072 156 1HG2 THR 38 1HG2 THR 38 -1.350 0.088 13.467 157 2HG2 THR 38 2HG2 THR 38 0.043 -0.665 14.245 158 3HG2 THR 38 3HG2 THR 38 0.279 0.426 12.879 159 H ALA 39 H ALA 39 -0.189 5.110 13.439 160 HA ALA 39 HA ALA 39 2.171 4.619 11.882 161 1HB ALA 39 1HB ALA 39 1.320 5.480 9.758 162 2HB ALA 39 2HB ALA 39 -0.303 5.583 10.443 163 3HB ALA 39 3HB ALA 39 0.469 4.010 10.232 164 H THR 40 H THR 40 2.750 6.023 13.674 165 HA THR 40 HA THR 40 1.785 8.734 13.656 166 HB THR 40 HB THR 40 2.400 7.649 15.772 167 HG1 THR 40 HG1 THR 40 4.375 9.612 15.599 168 1HG2 THR 40 1HG2 THR 40 5.204 7.653 14.652 169 2HG2 THR 40 2HG2 THR 40 4.217 6.235 15.007 170 3HG2 THR 40 3HG2 THR 40 4.777 7.272 16.320 171 H GLU 41 H GLU 41 4.280 6.938 12.158 172 HA GLU 41 HA GLU 41 5.277 9.355 10.862 173 1HB GLU 41 2HB GLU 41 6.852 8.895 12.705 174 2HB GLU 41 1HB GLU 41 7.067 7.254 12.112 175 1HG GLU 41 2HG GLU 41 7.991 8.172 10.014 176 2HG GLU 41 1HG GLU 41 7.855 9.792 10.699 177 H MET 42 H MET 42 5.939 9.003 8.740 178 HA MET 42 HA MET 42 6.174 6.255 7.801 179 1HB MET 42 2HB MET 42 3.801 6.904 7.426 180 2HB MET 42 1HB MET 42 4.356 8.250 6.440 181 1HG MET 42 2HG MET 42 3.645 6.396 5.054 182 2HG MET 42 1HG MET 42 5.371 6.691 4.867 183 1HE MET 42 1HE MET 42 2.620 4.347 6.391 184 2HE MET 42 2HE MET 42 3.490 4.903 7.821 185 3HE MET 42 3HE MET 42 3.595 3.213 7.327 186 H THR 43 H THR 43 8.340 6.672 7.562 187 HA THR 43 HA THR 43 9.209 8.932 5.983 188 HB THR 43 HB THR 43 11.509 7.736 6.468 189 HG1 THR 43 HG1 THR 43 10.499 6.868 8.838 190 1HG2 THR 43 1HG2 THR 43 10.806 9.901 7.392 191 2HG2 THR 43 2HG2 THR 43 11.651 8.925 8.594 192 3HG2 THR 43 3HG2 THR 43 9.894 9.065 8.649 193 H GLY 44 H GLY 44 10.813 8.590 4.237 194 1HA GLY 44 2HA GLY 44 9.535 7.316 2.134 195 2HA GLY 44 1HA GLY 44 11.186 7.902 2.095 196 H LYS 45 H LYS 45 12.410 6.166 3.913 197 HA LYS 45 HA LYS 45 12.760 3.950 2.137 198 1HB LYS 45 2HB LYS 45 14.689 4.890 3.255 199 2HB LYS 45 1HB LYS 45 13.992 4.542 4.831 200 1HG LYS 45 2HG LYS 45 14.234 2.190 4.502 201 2HG LYS 45 1HG LYS 45 14.698 2.423 2.815 202 1HD LYS 45 2HD LYS 45 16.632 1.956 4.276 203 2HD LYS 45 1HD LYS 45 16.739 3.530 3.491 204 1HE LYS 45 2HE LYS 45 15.874 4.576 5.556 205 2HE LYS 45 1HE LYS 45 15.890 2.993 6.332 206 1HZ LYS 45 1HZ LYS 45 18.305 4.235 5.146 207 2HZ LYS 45 2HZ LYS 45 18.231 2.892 6.179 208 3HZ LYS 45 3HZ LYS 45 17.866 4.444 6.770 209 H ASN 46 H ASN 46 11.245 4.406 5.278 210 HA ASN 46 HA ASN 46 10.752 1.644 5.743 211 1HB ASN 46 2HB ASN 46 9.504 4.144 6.876 212 2HB ASN 46 1HB ASN 46 8.991 2.529 7.358 213 1HD2 ASN 46 1HD2 ASN 46 10.249 4.650 8.925 214 2HD2 ASN 46 2HD2 ASN 46 11.692 3.962 9.582 215 H PHE 47 H PHE 47 8.934 4.209 4.148 216 HA PHE 47 HA PHE 47 6.637 2.619 3.604 217 1HB PHE 47 2HB PHE 47 6.796 5.153 3.490 218 2HB PHE 47 1HB PHE 47 7.643 4.949 1.961 219 HD1 PHE 47 HD1 PHE 47 4.528 3.685 3.589 220 HD2 PHE 47 HD2 PHE 47 6.371 5.216 0.073 221 HE1 PHE 47 HE1 PHE 47 2.364 3.602 2.425 222 HE2 PHE 47 HE2 PHE 47 4.207 5.137 -1.098 223 HZ PHE 47 HZ PHE 47 2.200 4.329 0.078 224 H ASP 48 H ASP 48 9.662 3.263 1.944 225 HA ASP 48 HA ASP 48 9.240 1.845 -0.429 226 1HB ASP 48 2HB ASP 48 11.167 3.314 -0.050 227 2HB ASP 48 1HB ASP 48 11.784 2.220 1.176 228 H LYS 49 H LYS 49 9.840 0.751 2.813 229 HA LYS 49 HA LYS 49 10.675 -1.905 2.140 230 1HB LYS 49 2HB LYS 49 9.528 -0.827 4.727 231 2HB LYS 49 1HB LYS 49 10.243 -2.419 4.527 232 1HG LYS 49 2HG LYS 49 12.385 -1.375 3.965 233 2HG LYS 49 1HG LYS 49 11.661 0.215 4.211 234 1HD LYS 49 2HD LYS 49 11.167 -0.410 6.547 235 2HD LYS 49 1HD LYS 49 11.979 -1.953 6.283 236 1HE LYS 49 2HE LYS 49 14.031 -0.676 5.654 237 2HE LYS 49 1HE LYS 49 13.198 0.796 6.145 238 1HZ LYS 49 1HZ LYS 49 14.637 -0.087 7.887 239 2HZ LYS 49 2HZ LYS 49 13.743 -1.525 7.910 240 3HZ LYS 49 3HZ LYS 49 13.011 -0.068 8.378 241 H TRP 50 H TRP 50 7.676 -0.416 3.244 242 HA TRP 50 HA TRP 50 6.051 -2.690 3.179 243 1HB TRP 50 2HB TRP 50 5.224 -0.738 4.269 244 2HB TRP 50 1HB TRP 50 5.455 0.250 2.832 245 HD1 TRP 50 HD1 TRP 50 3.184 0.914 1.908 246 HE1 TRP 50 HE1 TRP 50 0.920 -0.248 1.539 247 HE3 TRP 50 HE3 TRP 50 4.273 -3.648 3.939 248 HZ2 TRP 50 HZ2 TRP 50 -0.250 -2.767 2.036 249 HZ3 TRP 50 HZ3 TRP 50 2.525 -5.378 3.951 250 HH2 TRP 50 HH2 TRP 50 0.314 -4.946 3.021 251 H LEU 51 H LEU 51 7.081 -0.474 0.662 252 HA LEU 51 HA LEU 51 5.217 -1.551 -1.265 253 1HB LEU 51 2HB LEU 51 7.280 0.573 -1.241 254 2HB LEU 51 1HB LEU 51 6.929 -0.153 -2.795 255 HG LEU 51 HG LEU 51 5.635 1.897 -2.432 256 1HD1 LEU 51 1HD1 LEU 51 3.419 0.987 -2.954 257 2HD1 LEU 51 2HD1 LEU 51 3.974 -0.614 -2.465 258 3HD1 LEU 51 3HD1 LEU 51 4.703 0.186 -3.858 259 1HD2 LEU 51 1HD2 LEU 51 4.390 0.397 -0.133 260 2HD2 LEU 51 2HD2 LEU 51 3.854 1.957 -0.757 261 3HD2 LEU 51 3HD2 LEU 51 5.443 1.805 -0.008 262 H LYS 52 H LYS 52 8.758 -1.631 -0.914 263 HA LYS 52 HA LYS 52 9.115 -3.245 -3.229 264 1HB LYS 52 2HB LYS 52 10.957 -1.949 -2.861 265 2HB LYS 52 1HB LYS 52 10.850 -2.088 -1.116 266 1HG LYS 52 2HG LYS 52 11.597 -4.522 -2.630 267 2HG LYS 52 1HG LYS 52 12.785 -3.219 -2.527 268 1HD LYS 52 2HD LYS 52 12.602 -3.238 -0.090 269 2HD LYS 52 1HD LYS 52 11.392 -4.518 -0.183 270 1HE LYS 52 2HE LYS 52 13.047 -6.002 -1.204 271 2HE LYS 52 1HE LYS 52 14.255 -4.721 -1.110 272 1HZ LYS 52 1HZ LYS 52 12.905 -6.060 1.178 273 2HZ LYS 52 2HZ LYS 52 13.955 -4.732 1.323 274 3HZ LYS 52 3HZ LYS 52 14.534 -6.209 0.722 275 H ASP 53 H ASP 53 9.141 -3.991 0.255 276 HA ASP 53 HA ASP 53 10.142 -6.638 -0.226 277 1HB ASP 53 2HB ASP 53 10.278 -5.069 1.933 278 2HB ASP 53 1HB ASP 53 8.850 -6.003 2.372 279 H ALA 54 H ALA 54 7.018 -5.193 -0.043 280 HA ALA 54 HA ALA 54 5.557 -7.620 0.366 281 1HB ALA 54 1HB ALA 54 4.565 -5.453 0.904 282 2HB ALA 54 2HB ALA 54 3.592 -6.317 -0.287 283 3HB ALA 54 3HB ALA 54 4.639 -4.991 -0.797 284 H GLY 55 H GLY 55 6.772 -5.853 -2.404 285 1HA GLY 55 2HA GLY 55 7.343 -7.204 -4.365 286 2HA GLY 55 1HA GLY 55 5.825 -8.057 -4.128 287 H VAL 56 H VAL 56 5.581 -4.727 -3.555 288 HA VAL 56 HA VAL 56 4.111 -4.388 -6.054 289 HB VAL 56 HB VAL 56 4.355 -2.425 -3.771 290 1HG1 VAL 56 1HG1 VAL 56 2.285 -1.492 -4.697 291 2HG1 VAL 56 2HG1 VAL 56 2.349 -2.669 -6.008 292 3HG1 VAL 56 3HG1 VAL 56 3.607 -1.443 -5.865 293 1HG2 VAL 56 1HG2 VAL 56 3.428 -4.500 -2.922 294 2HG2 VAL 56 2HG2 VAL 56 2.245 -4.528 -4.233 295 3HG2 VAL 56 3HG2 VAL 56 2.180 -3.258 -3.011 296 H LEU 57 H LEU 57 6.646 -2.746 -4.195 297 HA LEU 57 HA LEU 57 7.387 -1.088 -6.451 298 1HB LEU 57 2HB LEU 57 7.510 -0.263 -4.114 299 2HB LEU 57 1HB LEU 57 8.746 -1.458 -3.780 300 HG LEU 57 HG LEU 57 10.103 -0.305 -5.633 301 1HD1 LEU 57 1HD1 LEU 57 9.585 2.040 -6.001 302 2HD1 LEU 57 2HD1 LEU 57 8.114 1.877 -5.041 303 3HD1 LEU 57 3HD1 LEU 57 8.272 1.009 -6.569 304 1HD2 LEU 57 1HD2 LEU 57 10.677 -0.193 -3.283 305 2HD2 LEU 57 2HD2 LEU 57 9.507 1.104 -3.037 306 3HD2 LEU 57 3HD2 LEU 57 10.928 1.376 -4.045 307 H ASP 58 H ASP 58 7.950 -2.637 -7.974 308 HA ASP 58 HA ASP 58 9.897 -4.673 -7.447 309 1HB ASP 58 2HB ASP 58 8.021 -4.863 -9.097 310 2HB ASP 58 1HB ASP 58 8.846 -3.678 -10.102 311 H ASN 59 H ASN 59 9.870 -1.500 -8.873 312 HA ASN 59 HA ASN 59 11.451 -0.020 -9.483 313 1HB ASN 59 2HB ASN 59 12.612 -0.631 -7.382 314 2HB ASN 59 1HB ASN 59 13.487 -1.887 -8.258 315 1HD2 ASN 59 1HD2 ASN 59 15.509 -1.004 -7.958 316 2HD2 ASN 59 2HD2 ASN 59 16.008 0.469 -8.719 317 H LYS 60 H LYS 60 12.526 -3.353 -10.150 318 HA LYS 60 HA LYS 60 14.000 -2.689 -12.469 319 1HB LYS 60 2HB LYS 60 12.788 -5.202 -11.397 320 2HB LYS 60 1HB LYS 60 13.344 -5.176 -13.063 321 1HG LYS 60 2HG LYS 60 15.109 -6.056 -11.780 322 2HG LYS 60 1HG LYS 60 15.573 -4.410 -12.199 323 1HD LYS 60 2HD LYS 60 14.948 -3.642 -9.981 324 2HD LYS 60 1HD LYS 60 14.384 -5.261 -9.558 325 1HE LYS 60 2HE LYS 60 16.658 -6.126 -9.900 326 2HE LYS 60 1HE LYS 60 17.211 -4.495 -10.275 327 1HZ LYS 60 1HZ LYS 60 16.058 -5.379 -7.679 328 2HZ LYS 60 2HZ LYS 60 16.583 -3.810 -8.040 329 3HZ LYS 60 3HZ LYS 60 17.699 -5.084 -7.990 330 H ALA 61 H ALA 61 10.777 -4.181 -12.206 331 HA ALA 61 HA ALA 61 10.167 -3.439 -14.945 332 1HB ALA 61 1HB ALA 61 8.477 -4.833 -12.873 333 2HB ALA 61 2HB ALA 61 9.479 -5.619 -14.094 334 3HB ALA 61 3HB ALA 61 8.082 -4.659 -14.584 335 H ILE 62 H ILE 62 10.080 -1.825 -12.079 336 HA ILE 62 HA ILE 62 7.606 -0.363 -12.688 337 HB ILE 62 HB ILE 62 9.303 -0.462 -10.191 338 1HG1 ILE 62 2HG1 ILE 62 7.834 -2.382 -10.520 339 2HG1 ILE 62 1HG1 ILE 62 7.276 -1.397 -9.169 340 1HG2 ILE 62 1HG2 ILE 62 7.666 1.030 -9.149 341 2HG2 ILE 62 2HG2 ILE 62 6.870 1.236 -10.710 342 3HG2 ILE 62 3HG2 ILE 62 8.520 1.812 -10.479 343 1HD1 ILE 62 1HD1 ILE 62 5.549 -0.429 -10.578 344 2HD1 ILE 62 2HD1 ILE 62 5.430 -2.189 -10.549 345 3HD1 ILE 62 3HD1 ILE 62 6.124 -1.375 -11.951 346 H THR 63 H THR 63 7.621 1.683 -13.367 347 HA THR 63 HA THR 63 10.135 2.745 -14.250 348 HB THR 63 HB THR 63 7.671 4.373 -14.494 349 HG1 THR 63 HG1 THR 63 6.562 2.616 -15.074 350 1HG2 THR 63 1HG2 THR 63 9.758 4.952 -15.613 351 2HG2 THR 63 2HG2 THR 63 8.487 4.585 -16.781 352 3HG2 THR 63 3HG2 THR 63 9.746 3.396 -16.442 353 H GLY 64 H GLY 64 11.384 3.836 -12.882 354 1HA GLY 64 2HA GLY 64 10.451 4.939 -10.437 355 2HA GLY 64 1HA GLY 64 12.056 5.146 -11.122 356 H THR 65 H THR 65 10.543 6.179 -13.615 357 HA THR 65 HA THR 65 10.732 8.943 -12.975 358 HB THR 65 HB THR 65 9.678 9.213 -15.288 359 HG1 THR 65 HG1 THR 65 9.532 7.317 -16.522 360 1HG2 THR 65 1HG2 THR 65 11.718 8.485 -16.447 361 2HG2 THR 65 2HG2 THR 65 12.190 7.559 -15.023 362 3HG2 THR 65 3HG2 THR 65 12.092 9.319 -14.939 363 H MET 66 H MET 66 8.000 6.779 -13.694 364 HA MET 66 HA MET 66 6.042 8.833 -13.285 365 1HB MET 66 2HB MET 66 5.554 7.026 -14.811 366 2HB MET 66 1HB MET 66 5.820 5.831 -13.551 367 1HG MET 66 2HG MET 66 3.462 6.106 -13.973 368 2HG MET 66 1HG MET 66 3.863 6.664 -12.349 369 1HE MET 66 1HE MET 66 1.501 7.841 -12.228 370 2HE MET 66 2HE MET 66 1.119 7.327 -13.872 371 3HE MET 66 3HE MET 66 0.920 9.018 -13.407 372 H THR 67 H THR 67 7.159 6.025 -11.456 373 HA THR 67 HA THR 67 5.329 6.393 -9.320 374 HB THR 67 HB THR 67 6.692 4.688 -8.147 375 HG1 THR 67 HG1 THR 67 8.292 4.474 -10.470 376 1HG2 THR 67 1HG2 THR 67 6.332 2.887 -9.790 377 2HG2 THR 67 2HG2 THR 67 6.104 4.098 -11.052 378 3HG2 THR 67 3HG2 THR 67 4.956 3.989 -9.716 379 H GLY 68 H GLY 68 8.686 7.364 -9.854 380 1HA GLY 68 2HA GLY 68 9.319 8.212 -7.269 381 2HA GLY 68 1HA GLY 68 10.024 8.860 -8.742 382 H ILE 69 H ILE 69 7.757 9.992 -9.904 383 HA ILE 69 HA ILE 69 7.524 12.433 -8.476 384 HB ILE 69 HB ILE 69 5.884 11.397 -10.798 385 1HG1 ILE 69 2HG1 ILE 69 8.247 13.286 -10.734 386 2HG1 ILE 69 1HG1 ILE 69 8.309 11.604 -11.244 387 1HG2 ILE 69 1HG2 ILE 69 4.713 13.170 -9.588 388 2HG2 ILE 69 2HG2 ILE 69 5.253 13.728 -11.172 389 3HG2 ILE 69 3HG2 ILE 69 6.135 14.205 -9.721 390 1HD1 ILE 69 1HD1 ILE 69 8.263 13.139 -13.135 391 2HD1 ILE 69 2HD1 ILE 69 6.711 13.772 -12.583 392 3HD1 ILE 69 3HD1 ILE 69 6.844 12.094 -13.109 393 H ALA 70 H ALA 70 5.418 9.633 -8.902 394 HA ALA 70 HA ALA 70 3.149 10.560 -7.574 395 1HB ALA 70 1HB ALA 70 3.204 8.474 -8.856 396 2HB ALA 70 2HB ALA 70 2.581 8.215 -7.226 397 3HB ALA 70 3HB ALA 70 4.234 7.745 -7.623 398 H PHE 71 H PHE 71 5.875 8.675 -6.257 399 HA PHE 71 HA PHE 71 5.076 8.632 -3.592 400 1HB PHE 71 2HB PHE 71 7.748 8.466 -4.939 401 2HB PHE 71 1HB PHE 71 7.665 8.551 -3.184 402 HD1 PHE 71 HD1 PHE 71 6.857 6.525 -6.139 403 HD2 PHE 71 HD2 PHE 71 6.886 6.701 -1.887 404 HE1 PHE 71 HE1 PHE 71 6.493 4.097 -6.041 405 HE2 PHE 71 HE2 PHE 71 6.520 4.270 -1.782 406 HZ PHE 71 HZ PHE 71 6.322 2.965 -3.861 407 H SER 72 H SER 72 7.019 11.055 -5.303 408 HA SER 72 HA SER 72 7.633 12.561 -2.988 409 1HB SER 72 2HB SER 72 7.665 13.412 -5.889 410 2HB SER 72 1HB SER 72 8.497 14.215 -4.559 411 HG SER 72 HG SER 72 9.074 11.773 -5.818 412 H LYS 73 H LYS 73 5.043 12.774 -5.388 413 HA LYS 73 HA LYS 73 4.024 15.274 -4.448 414 1HB LYS 73 2HB LYS 73 3.599 14.435 -6.727 415 2HB LYS 73 1HB LYS 73 2.666 13.103 -6.062 416 1HG LYS 73 2HG LYS 73 0.990 14.617 -5.241 417 2HG LYS 73 1HG LYS 73 1.956 16.010 -5.733 418 1HD LYS 73 2HD LYS 73 0.891 13.915 -7.627 419 2HD LYS 73 1HD LYS 73 0.102 15.459 -7.304 420 1HE LYS 73 2HE LYS 73 2.903 15.151 -8.383 421 2HE LYS 73 1HE LYS 73 1.477 15.460 -9.372 422 1HZ LYS 73 1HZ LYS 73 2.489 17.241 -7.217 423 2HZ LYS 73 2HZ LYS 73 1.143 17.536 -8.203 424 3HZ LYS 73 3HZ LYS 73 2.696 17.496 -8.879 425 H VAL 74 H VAL 74 3.495 11.931 -3.676 426 HA VAL 74 HA VAL 74 1.236 12.267 -1.958 427 HB VAL 74 HB VAL 74 3.306 10.107 -2.315 428 1HG1 VAL 74 1HG1 VAL 74 1.963 8.684 -0.829 429 2HG1 VAL 74 2HG1 VAL 74 0.965 10.074 -0.407 430 3HG1 VAL 74 3HG1 VAL 74 2.672 10.047 0.037 431 1HG2 VAL 74 1HG2 VAL 74 0.360 10.298 -2.914 432 2HG2 VAL 74 2HG2 VAL 74 1.371 8.882 -3.201 433 3HG2 VAL 74 3HG2 VAL 74 1.677 10.378 -4.084 434 H THR 75 H THR 75 4.694 11.629 -1.202 435 HA THR 75 HA THR 75 4.206 12.143 1.577 436 HB THR 75 HB THR 75 6.727 11.907 1.772 437 HG1 THR 75 HG1 THR 75 6.533 10.966 -0.913 438 1HG2 THR 75 1HG2 THR 75 5.168 10.072 2.207 439 2HG2 THR 75 2HG2 THR 75 6.640 9.479 1.437 440 3HG2 THR 75 3HG2 THR 75 5.163 9.661 0.493 441 H GLY 76 H GLY 76 6.752 13.594 -0.433 442 1HA GLY 76 2HA GLY 76 7.330 15.847 -0.644 443 2HA GLY 76 1HA GLY 76 5.983 16.267 0.412 444 HA PRO 77 HA PRO 77 8.979 16.703 3.746 445 1HB PRO 77 2HB PRO 77 7.168 16.357 5.789 446 2HB PRO 77 1HB PRO 77 7.463 17.897 4.974 447 1HG PRO 77 2HG PRO 77 5.289 15.897 4.509 448 2HG PRO 77 1HG PRO 77 5.187 17.666 4.565 449 1HD PRO 77 2HD PRO 77 5.206 16.350 2.237 450 2HD PRO 77 1HD PRO 77 6.040 17.908 2.422 451 H LYS 78 H LYS 78 9.789 15.372 5.465 452 HA LYS 78 HA LYS 78 9.755 12.591 4.730 453 1HB LYS 78 2HB LYS 78 11.787 13.904 5.446 454 2HB LYS 78 1HB LYS 78 11.136 13.895 7.079 455 1HG LYS 78 2HG LYS 78 11.083 11.315 6.752 456 2HG LYS 78 1HG LYS 78 12.250 11.645 5.472 457 1HD LYS 78 2HD LYS 78 13.421 11.155 7.527 458 2HD LYS 78 1HD LYS 78 13.654 12.854 7.108 459 1HE LYS 78 2HE LYS 78 11.991 13.529 8.715 460 2HE LYS 78 1HE LYS 78 11.583 11.849 9.058 461 1HZ LYS 78 1HZ LYS 78 13.001 12.734 10.768 462 2HZ LYS 78 2HZ LYS 78 14.178 13.174 9.633 463 3HZ LYS 78 3HZ LYS 78 13.838 11.535 9.912 464 H LYS 79 H LYS 79 7.917 14.474 6.809 465 HA LYS 79 HA LYS 79 7.750 13.058 9.175 466 1HB LYS 79 2HB LYS 79 5.734 14.784 7.763 467 2HB LYS 79 1HB LYS 79 5.391 14.051 9.321 468 1HG LYS 79 2HG LYS 79 6.104 16.247 9.761 469 2HG LYS 79 1HG LYS 79 7.457 15.202 10.189 470 1HD LYS 79 2HD LYS 79 8.493 15.701 8.011 471 2HD LYS 79 1HD LYS 79 7.154 16.789 7.641 472 1HE LYS 79 2HE LYS 79 9.092 17.066 9.935 473 2HE LYS 79 1HE LYS 79 9.097 18.019 8.452 474 1HZ LYS 79 1HZ LYS 79 6.977 18.950 9.036 475 2HZ LYS 79 2HZ LYS 79 8.047 19.168 10.332 476 3HZ LYS 79 3HZ LYS 79 6.863 17.960 10.409 477 H LYS 80 H LYS 80 5.445 12.789 6.436 478 HA LYS 80 HA LYS 80 4.938 10.028 6.939 479 1HB LYS 80 2HB LYS 80 3.836 11.195 8.902 480 2HB LYS 80 1HB LYS 80 2.749 11.952 7.750 481 1HG LYS 80 2HG LYS 80 2.104 9.598 7.040 482 2HG LYS 80 1HG LYS 80 2.959 9.049 8.482 483 1HD LYS 80 2HD LYS 80 0.631 10.970 8.410 484 2HD LYS 80 1HD LYS 80 0.582 9.291 8.944 485 1HE LYS 80 2HE LYS 80 2.035 9.782 10.797 486 2HE LYS 80 1HE LYS 80 2.279 11.430 10.219 487 1HZ LYS 80 1HZ LYS 80 0.688 11.418 12.002 488 2HZ LYS 80 2HZ LYS 80 -0.275 10.274 11.203 489 3HZ LYS 80 3HZ LYS 80 -0.102 11.831 10.560 490 H ALA 81 H ALA 81 3.094 9.252 5.635 491 HA ALA 81 HA ALA 81 2.434 10.978 3.373 492 1HB ALA 81 1HB ALA 81 3.596 8.928 2.679 493 2HB ALA 81 2HB ALA 81 1.922 8.924 2.126 494 3HB ALA 81 3HB ALA 81 2.392 7.954 3.523 495 H THR 82 H THR 82 0.794 11.982 4.269 496 HA THR 82 HA THR 82 -1.023 10.923 6.102 497 HB THR 82 HB THR 82 -0.672 13.250 6.107 498 HG1 THR 82 HG1 THR 82 -3.152 13.660 5.119 499 1HG2 THR 82 1HG2 THR 82 -1.721 13.371 3.286 500 2HG2 THR 82 2HG2 THR 82 -0.038 13.558 3.775 501 3HG2 THR 82 3HG2 THR 82 -1.238 14.750 4.275 502 H PHE 83 H PHE 83 -3.561 11.599 5.391 503 HA PHE 83 HA PHE 83 -4.416 9.050 4.913 504 1HB PHE 83 2HB PHE 83 -6.141 11.430 4.288 505 2HB PHE 83 1HB PHE 83 -6.620 9.881 4.970 506 HD1 PHE 83 HD1 PHE 83 -6.782 12.994 5.869 507 HD2 PHE 83 HD2 PHE 83 -4.619 9.546 7.110 508 HE1 PHE 83 HE1 PHE 83 -6.563 13.949 8.124 509 HE2 PHE 83 HE2 PHE 83 -4.399 10.495 9.369 510 HZ PHE 83 HZ PHE 83 -5.371 12.697 9.880 511 H ASP 84 H ASP 84 -5.198 11.649 2.561 512 HA ASP 84 HA ASP 84 -5.983 9.678 0.636 513 1HB ASP 84 2HB ASP 84 -6.959 12.015 0.858 514 2HB ASP 84 1HB ASP 84 -5.500 12.604 0.066 515 H GLU 85 H GLU 85 -3.145 11.585 1.218 516 HA GLU 85 HA GLU 85 -1.604 11.301 -1.037 517 1HB GLU 85 2HB GLU 85 -0.979 11.221 1.895 518 2HB GLU 85 1HB GLU 85 0.300 11.035 0.704 519 1HG GLU 85 2HG GLU 85 -0.046 13.350 1.610 520 2HG GLU 85 1HG GLU 85 -0.025 13.196 -0.141 521 H THR 86 H THR 86 -1.772 8.916 1.650 522 HA THR 86 HA THR 86 -0.171 6.956 0.449 523 HB THR 86 HB THR 86 -2.428 6.619 2.433 524 HG1 THR 86 HG1 THR 86 -0.841 7.783 3.409 525 1HG2 THR 86 1HG2 THR 86 -1.440 4.457 2.979 526 2HG2 THR 86 2HG2 THR 86 -0.220 4.678 1.726 527 3HG2 THR 86 3HG2 THR 86 -1.917 4.496 1.281 528 H LYS 87 H LYS 87 -3.636 7.527 0.253 529 HA LYS 87 HA LYS 87 -4.319 5.276 -1.298 530 1HB LYS 87 2HB LYS 87 -6.115 6.357 -0.282 531 2HB LYS 87 1HB LYS 87 -5.554 7.952 -0.756 532 1HG LYS 87 2HG LYS 87 -6.240 7.548 -3.040 533 2HG LYS 87 1HG LYS 87 -6.729 5.905 -2.618 534 1HD LYS 87 2HD LYS 87 -8.585 6.605 -1.467 535 2HD LYS 87 1HD LYS 87 -7.876 8.171 -1.069 536 1HE LYS 87 2HE LYS 87 -8.790 7.344 -3.822 537 2HE LYS 87 1HE LYS 87 -9.740 8.317 -2.697 538 1HZ LYS 87 1HZ LYS 87 -8.663 9.801 -4.166 539 2HZ LYS 87 2HZ LYS 87 -7.162 9.036 -3.983 540 3HZ LYS 87 3HZ LYS 87 -7.833 9.917 -2.691 541 H LYS 88 H LYS 88 -3.274 8.545 -2.179 542 HA LYS 88 HA LYS 88 -3.604 8.364 -4.946 543 1HB LYS 88 2HB LYS 88 -1.554 9.904 -3.347 544 2HB LYS 88 1HB LYS 88 -1.847 10.131 -5.058 545 1HG LYS 88 2HG LYS 88 -4.125 10.858 -4.583 546 2HG LYS 88 1HG LYS 88 -3.837 10.619 -2.855 547 1HD LYS 88 2HD LYS 88 -1.972 12.256 -2.995 548 2HD LYS 88 1HD LYS 88 -2.405 12.553 -4.677 549 1HE LYS 88 2HE LYS 88 -4.214 12.996 -2.308 550 2HE LYS 88 1HE LYS 88 -3.311 14.256 -3.144 551 1HZ LYS 88 1HZ LYS 88 -5.444 12.555 -4.318 552 2HZ LYS 88 2HZ LYS 88 -4.544 13.709 -5.172 553 3HZ LYS 88 3HZ LYS 88 -5.575 14.198 -3.919 554 H VAL 89 H VAL 89 -0.688 7.738 -2.985 555 HA VAL 89 HA VAL 89 0.985 7.242 -5.177 556 HB VAL 89 HB VAL 89 1.915 7.789 -3.006 557 1HG1 VAL 89 1HG1 VAL 89 0.361 6.604 -1.566 558 2HG1 VAL 89 2HG1 VAL 89 2.028 6.172 -1.186 559 3HG1 VAL 89 3HG1 VAL 89 1.015 5.060 -2.108 560 1HG2 VAL 89 1HG2 VAL 89 2.797 5.102 -4.034 561 2HG2 VAL 89 2HG2 VAL 89 3.722 6.111 -2.922 562 3HG2 VAL 89 3HG2 VAL 89 3.375 6.685 -4.552 563 H LEU 90 H LEU 90 -0.829 4.949 -3.145 564 HA LEU 90 HA LEU 90 0.232 2.650 -4.389 565 1HB LEU 90 2HB LEU 90 -2.346 3.048 -2.879 566 2HB LEU 90 1HB LEU 90 -1.773 1.487 -3.428 567 HG LEU 90 HG LEU 90 -0.568 3.269 -1.324 568 1HD1 LEU 90 1HD1 LEU 90 -0.768 1.263 0.055 569 2HD1 LEU 90 2HD1 LEU 90 -1.479 0.398 -1.307 570 3HD1 LEU 90 3HD1 LEU 90 -2.328 1.768 -0.591 571 1HD2 LEU 90 1HD2 LEU 90 1.270 2.525 -2.721 572 2HD2 LEU 90 2HD2 LEU 90 0.692 0.860 -2.634 573 3HD2 LEU 90 3HD2 LEU 90 1.288 1.664 -1.182 574 H ALA 91 H ALA 91 -2.470 4.744 -5.165 575 HA ALA 91 HA ALA 91 -3.528 3.068 -7.216 576 1HB ALA 91 1HB ALA 91 -4.863 4.790 -6.097 577 2HB ALA 91 2HB ALA 91 -4.865 4.989 -7.849 578 3HB ALA 91 3HB ALA 91 -3.867 6.040 -6.840 579 H PHE 92 H PHE 92 -1.341 5.884 -7.234 580 HA PHE 92 HA PHE 92 -1.106 6.040 -10.046 581 1HB PHE 92 2HB PHE 92 0.645 7.035 -7.812 582 2HB PHE 92 1HB PHE 92 1.054 7.299 -9.501 583 HD1 PHE 92 HD1 PHE 92 -1.228 8.108 -10.851 584 HD2 PHE 92 HD2 PHE 92 -0.213 8.895 -6.798 585 HE1 PHE 92 HE1 PHE 92 -2.629 10.129 -10.900 586 HE2 PHE 92 HE2 PHE 92 -1.617 10.917 -6.835 587 HZ PHE 92 HZ PHE 92 -2.824 11.536 -8.889 588 H VAL 93 H VAL 93 0.909 4.399 -7.615 589 HA VAL 93 HA VAL 93 2.883 3.482 -9.405 590 HB VAL 93 HB VAL 93 1.961 2.259 -6.795 591 1HG1 VAL 93 1HG1 VAL 93 4.113 1.089 -6.782 592 2HG1 VAL 93 2HG1 VAL 93 4.463 1.717 -8.394 593 3HG1 VAL 93 3HG1 VAL 93 3.118 0.601 -8.155 594 1HG2 VAL 93 1HG2 VAL 93 3.950 3.362 -5.868 595 2HG2 VAL 93 2HG2 VAL 93 2.816 4.525 -6.554 596 3HG2 VAL 93 3HG2 VAL 93 4.275 4.087 -7.443 597 H ALA 94 H ALA 94 -0.118 1.973 -8.251 598 HA ALA 94 HA ALA 94 0.142 -0.432 -9.692 599 1HB ALA 94 1HB ALA 94 -2.230 -0.737 -9.296 600 2HB ALA 94 2HB ALA 94 -2.397 0.963 -8.858 601 3HB ALA 94 3HB ALA 94 -1.447 -0.119 -7.842 602 H GLU 95 H GLU 95 -1.376 2.663 -10.503 603 HA GLU 95 HA GLU 95 -2.553 2.000 -12.917 604 1HB GLU 95 2HB GLU 95 -2.866 4.144 -11.740 605 2HB GLU 95 1HB GLU 95 -1.235 4.621 -12.194 606 1HG GLU 95 2HG GLU 95 -1.882 4.484 -14.564 607 2HG GLU 95 1HG GLU 95 -3.521 4.073 -14.070 608 H ASP 96 H ASP 96 0.760 3.222 -12.380 609 HA ASP 96 HA ASP 96 1.521 3.272 -15.088 610 1HB ASP 96 2HB ASP 96 2.812 4.411 -13.342 611 2HB ASP 96 1HB ASP 96 3.260 2.857 -12.646 612 H ARG 97 H ARG 97 2.089 0.811 -12.606 613 HA ARG 97 HA ARG 97 3.344 -1.094 -14.220 614 1HB ARG 97 2HB ARG 97 3.384 -1.243 -11.808 615 2HB ARG 97 1HB ARG 97 1.637 -1.407 -11.747 616 1HG ARG 97 2HG ARG 97 1.765 -3.593 -12.768 617 2HG ARG 97 1HG ARG 97 3.510 -3.421 -12.980 618 1HD ARG 97 2HD ARG 97 3.885 -3.455 -10.634 619 2HD ARG 97 1HD ARG 97 2.167 -3.279 -10.288 620 HE ARG 97 HE ARG 97 1.915 -5.570 -11.262 621 1HH1 ARG 97 1HH1 ARG 97 4.985 -4.525 -9.912 622 2HH1 ARG 97 2HH1 ARG 97 5.504 -6.129 -9.488 623 1HH2 ARG 97 1HH2 ARG 97 2.564 -7.680 -10.664 624 2HH2 ARG 97 2HH2 ARG 97 4.105 -7.918 -9.890 625 H ALA 98 H ALA 98 -0.077 -0.577 -13.502 626 HA ALA 98 HA ALA 98 -1.096 -2.855 -14.782 627 1HB ALA 98 1HB ALA 98 -2.427 -0.181 -14.416 628 2HB ALA 98 2HB ALA 98 -2.377 -1.475 -13.219 629 3HB ALA 98 3HB ALA 98 -3.232 -1.714 -14.744 630 H ARG 99 H ARG 99 -0.848 0.497 -15.992 631 HA ARG 99 HA ARG 99 -1.903 -0.094 -18.539 632 1HB ARG 99 2HB ARG 99 -0.261 2.195 -17.488 633 2HB ARG 99 1HB ARG 99 -0.711 2.103 -19.184 634 1HG ARG 99 2HG ARG 99 -3.101 1.937 -18.441 635 2HG ARG 99 1HG ARG 99 -2.543 2.298 -16.808 636 1HD ARG 99 2HD ARG 99 -1.838 4.086 -19.107 637 2HD ARG 99 1HD ARG 99 -3.399 4.227 -18.305 638 HE ARG 99 HE ARG 99 -1.587 4.320 -16.268 639 1HH1 ARG 99 1HH1 ARG 99 -2.001 6.123 -19.244 640 2HH1 ARG 99 2HH1 ARG 99 -1.410 7.619 -18.576 641 1HH2 ARG 99 1HH2 ARG 99 -0.852 6.318 -15.363 642 2HH2 ARG 99 2HH2 ARG 99 -0.764 7.726 -16.372 643 H GLN 100 H GLN 100 1.279 -0.411 -17.212 644 HA GLN 100 HA GLN 100 2.589 -0.705 -19.750 645 1HB GLN 100 2HB GLN 100 3.902 0.091 -17.912 646 2HB GLN 100 1HB GLN 100 3.455 -1.289 -16.920 647 1HG GLN 100 2HG GLN 100 4.721 -2.770 -18.341 648 2HG GLN 100 1HG GLN 100 5.104 -1.437 -19.432 649 1HE2 GLN 100 1HE2 GLN 100 5.664 -2.830 -16.293 650 2HE2 GLN 100 2HE2 GLN 100 7.097 -1.921 -15.927 651 H SER 101 H SER 101 1.459 -2.908 -17.208 652 HA SER 101 HA SER 101 2.364 -5.258 -18.559 653 1HB SER 101 2HB SER 101 2.123 -5.178 -16.108 654 2HB SER 101 1HB SER 101 0.382 -4.967 -16.285 655 HG SER 101 HG SER 101 1.006 -7.153 -15.867 656 H LYS 102 H LYS 102 -0.992 -4.541 -17.605 657 HA LYS 102 HA LYS 102 -1.857 -5.802 -20.111 658 1HB LYS 102 2HB LYS 102 -2.698 -6.752 -17.972 659 2HB LYS 102 1HB LYS 102 -3.467 -5.211 -17.618 660 1HG LYS 102 2HG LYS 102 -4.923 -5.451 -19.526 661 2HG LYS 102 1HG LYS 102 -4.096 -6.933 -20.009 662 1HD LYS 102 2HD LYS 102 -5.570 -6.557 -17.402 663 2HD LYS 102 1HD LYS 102 -6.245 -7.338 -18.831 664 1HE LYS 102 2HE LYS 102 -4.479 -9.031 -18.739 665 2HE LYS 102 1HE LYS 102 -3.795 -8.243 -17.320 666 1HZ LYS 102 1HZ LYS 102 -6.525 -9.412 -17.464 667 2HZ LYS 102 2HZ LYS 102 -5.791 -8.732 -16.089 668 3HZ LYS 102 3HZ LYS 102 -5.177 -10.165 -16.759 669 H LYS 103 H LYS 103 -3.448 -3.436 -18.031 670 HA LYS 103 HA LYS 103 -3.052 -1.103 -19.328 671 1HB LYS 103 2HB LYS 103 -4.988 -0.721 -20.772 672 2HB LYS 103 1HB LYS 103 -3.965 -2.006 -21.385 673 1HG LYS 103 2HG LYS 103 -5.542 -3.670 -20.617 674 2HG LYS 103 1HG LYS 103 -6.551 -2.411 -19.897 675 1HD LYS 103 2HD LYS 103 -6.829 -1.414 -22.147 676 2HD LYS 103 1HD LYS 103 -5.916 -2.763 -22.824 677 1HE LYS 103 2HE LYS 103 -7.595 -4.326 -22.037 678 2HE LYS 103 1HE LYS 103 -8.488 -3.012 -21.270 679 1HZ LYS 103 1HZ LYS 103 -8.731 -2.018 -23.516 680 2HZ LYS 103 2HZ LYS 103 -9.521 -3.505 -23.337 681 3HZ LYS 103 3HZ LYS 103 -8.049 -3.420 -24.178 682 HA PRO 104 HA PRO 104 -6.958 -0.658 -16.627 683 1HB PRO 104 2HB PRO 104 -7.780 -3.100 -15.419 684 2HB PRO 104 1HB PRO 104 -8.611 -2.200 -16.688 685 1HG PRO 104 2HG PRO 104 -7.470 -4.704 -16.997 686 2HG PRO 104 1HG PRO 104 -7.850 -3.586 -18.317 687 1HD PRO 104 2HD PRO 104 -5.238 -4.099 -16.958 688 2HD PRO 104 1HD PRO 104 -5.580 -3.813 -18.679 689 H ILE 105 H ILE 105 -6.500 0.258 -14.728 690 HA ILE 105 HA ILE 105 -4.262 -0.606 -13.243 691 HB ILE 105 HB ILE 105 -4.538 1.312 -11.888 692 1HG1 ILE 105 2HG1 ILE 105 -6.682 2.782 -12.467 693 2HG1 ILE 105 1HG1 ILE 105 -7.394 1.194 -12.726 694 1HG2 ILE 105 1HG2 ILE 105 -3.783 1.710 -14.152 695 2HG2 ILE 105 2HG2 ILE 105 -4.731 3.080 -13.567 696 3HG2 ILE 105 3HG2 ILE 105 -5.449 1.923 -14.689 697 1HD1 ILE 105 1HD1 ILE 105 -6.101 2.171 -10.189 698 2HD1 ILE 105 2HD1 ILE 105 -6.792 0.568 -10.436 699 3HD1 ILE 105 3HD1 ILE 105 -7.831 1.991 -10.481 700 H GLN 106 H GLN 106 -7.736 -0.875 -12.735 701 HA GLN 106 HA GLN 106 -7.693 -1.763 -10.066 702 1HB GLN 106 2HB GLN 106 -9.686 -1.124 -11.653 703 2HB GLN 106 1HB GLN 106 -9.667 -2.829 -12.064 704 1HG GLN 106 2HG GLN 106 -10.107 -1.657 -9.324 705 2HG GLN 106 1HG GLN 106 -11.331 -2.371 -10.369 706 1HE2 GLN 106 1HE2 GLN 106 -8.804 -2.948 -8.120 707 2HE2 GLN 106 2HE2 GLN 106 -8.979 -4.662 -8.019 708 H ASP 107 H ASP 107 -7.554 -3.550 -13.127 709 HA ASP 107 HA ASP 107 -7.662 -6.144 -12.136 710 1HB ASP 107 2HB ASP 107 -7.775 -5.391 -14.555 711 2HB ASP 107 1HB ASP 107 -6.018 -5.287 -14.522 712 H GLU 108 H GLU 108 -4.833 -4.094 -12.716 713 HA GLU 108 HA GLU 108 -2.898 -5.977 -11.870 714 1HB GLU 108 2HB GLU 108 -2.420 -3.977 -13.265 715 2HB GLU 108 1HB GLU 108 -2.727 -2.959 -11.867 716 1HG GLU 108 2HG GLU 108 -0.372 -3.188 -12.145 717 2HG GLU 108 1HG GLU 108 -0.852 -4.073 -10.700 718 H LEU 109 H LEU 109 -4.601 -3.344 -10.195 719 HA LEU 109 HA LEU 109 -3.203 -3.578 -7.746 720 1HB LEU 109 2HB LEU 109 -4.499 -1.581 -8.318 721 2HB LEU 109 1HB LEU 109 -5.981 -2.518 -8.286 722 HG LEU 109 HG LEU 109 -5.491 -2.991 -5.845 723 1HD1 LEU 109 1HD1 LEU 109 -3.476 -0.797 -6.281 724 2HD1 LEU 109 2HD1 LEU 109 -3.140 -2.462 -5.808 725 3HD1 LEU 109 3HD1 LEU 109 -4.010 -1.392 -4.709 726 1HD2 LEU 109 1HD2 LEU 109 -5.960 -0.132 -6.668 727 2HD2 LEU 109 2HD2 LEU 109 -6.350 -0.833 -5.097 728 3HD2 LEU 109 3HD2 LEU 109 -7.186 -1.395 -6.545 729 H ASP 110 H ASP 110 -6.016 -5.148 -9.080 730 HA ASP 110 HA ASP 110 -7.029 -6.356 -6.765 731 1HB ASP 110 2HB ASP 110 -8.054 -6.221 -9.121 732 2HB ASP 110 1HB ASP 110 -7.072 -7.632 -9.497 733 H ALA 111 H ALA 111 -4.674 -7.502 -9.160 734 HA ALA 111 HA ALA 111 -4.092 -9.969 -7.943 735 1HB ALA 111 1HB ALA 111 -2.089 -9.981 -9.306 736 2HB ALA 111 2HB ALA 111 -2.257 -8.252 -9.611 737 3HB ALA 111 3HB ALA 111 -3.455 -9.382 -10.245 738 H ILE 112 H ILE 112 -2.778 -6.740 -7.444 739 HA ILE 112 HA ILE 112 -0.693 -7.450 -5.661 740 HB ILE 112 HB ILE 112 -2.230 -4.863 -5.948 741 1HG1 ILE 112 2HG1 ILE 112 0.509 -5.648 -6.966 742 2HG1 ILE 112 1HG1 ILE 112 -0.955 -5.624 -7.946 743 1HG2 ILE 112 1HG2 ILE 112 -1.203 -4.989 -3.741 744 2HG2 ILE 112 2HG2 ILE 112 -0.383 -3.798 -4.750 745 3HG2 ILE 112 3HG2 ILE 112 0.353 -5.377 -4.474 746 1HD1 ILE 112 1HD1 ILE 112 0.342 -3.253 -6.614 747 2HD1 ILE 112 2HD1 ILE 112 -1.152 -3.211 -7.553 748 3HD1 ILE 112 3HD1 ILE 112 0.367 -3.642 -8.336 749 H THR 113 H THR 113 -4.061 -6.498 -5.176 750 HA THR 113 HA THR 113 -4.029 -6.424 -2.363 751 HB THR 113 HB THR 113 -6.403 -7.139 -4.100 752 HG1 THR 113 HG1 THR 113 -5.369 -5.190 -4.816 753 1HG2 THR 113 1HG2 THR 113 -7.688 -6.039 -2.326 754 2HG2 THR 113 2HG2 THR 113 -6.202 -5.768 -1.417 755 3HG2 THR 113 3HG2 THR 113 -6.775 -7.412 -1.700 756 H GLU 114 H GLU 114 -4.901 -9.022 -4.636 757 HA GLU 114 HA GLU 114 -5.438 -11.019 -2.743 758 1HB GLU 114 2HB GLU 114 -4.295 -11.300 -5.526 759 2HB GLU 114 1HB GLU 114 -4.973 -12.605 -4.570 760 1HG GLU 114 2HG GLU 114 -7.139 -11.396 -4.556 761 2HG GLU 114 1HG GLU 114 -6.427 -10.214 -5.657 762 H LYS 115 H LYS 115 -2.462 -9.962 -4.270 763 HA LYS 115 HA LYS 115 -0.705 -11.955 -3.603 764 1HB LYS 115 2HB LYS 115 -0.162 -9.986 -4.989 765 2HB LYS 115 1HB LYS 115 -0.163 -8.983 -3.547 766 1HG LYS 115 2HG LYS 115 2.097 -9.489 -4.177 767 2HG LYS 115 1HG LYS 115 1.720 -10.311 -2.662 768 1HD LYS 115 2HD LYS 115 1.422 -12.402 -3.801 769 2HD LYS 115 1HD LYS 115 1.566 -11.615 -5.375 770 1HE LYS 115 2HE LYS 115 3.878 -10.994 -4.833 771 2HE LYS 115 1HE LYS 115 3.729 -11.828 -3.287 772 1HZ LYS 115 1HZ LYS 115 3.338 -13.177 -5.902 773 2HZ LYS 115 2HZ LYS 115 3.518 -13.902 -4.378 774 3HZ LYS 115 3HZ LYS 115 4.833 -13.112 -5.104 775 H LEU 116 H LEU 116 -1.491 -9.100 -1.604 776 HA LEU 116 HA LEU 116 0.176 -9.971 0.551 777 1HB LEU 116 2HB LEU 116 -2.006 -7.901 0.550 778 2HB LEU 116 1HB LEU 116 -0.789 -8.107 1.794 779 HG LEU 116 HG LEU 116 -0.155 -7.383 -1.066 780 1HD1 LEU 116 1HD1 LEU 116 -0.376 -5.618 1.366 781 2HD1 LEU 116 2HD1 LEU 116 -1.456 -5.611 -0.029 782 3HD1 LEU 116 3HD1 LEU 116 0.228 -5.121 -0.215 783 1HD2 LEU 116 1HD2 LEU 116 1.506 -7.315 1.451 784 2HD2 LEU 116 2HD2 LEU 116 2.033 -6.815 -0.157 785 3HD2 LEU 116 3HD2 LEU 116 1.647 -8.506 0.157 786 H ALA 117 H ALA 117 -3.247 -10.267 -0.183 787 HA ALA 117 HA ALA 117 -4.119 -11.194 2.329 788 1HB ALA 117 1HB ALA 117 -5.664 -10.474 0.575 789 2HB ALA 117 2HB ALA 117 -6.042 -12.107 1.124 790 3HB ALA 117 3HB ALA 117 -5.203 -11.865 -0.408 791 H LYS 118 H LYS 118 -2.811 -12.845 -0.490 792 HA LYS 118 HA LYS 118 -2.969 -15.449 0.748 793 1HB LYS 118 2HB LYS 118 -1.640 -14.521 -1.809 794 2HB LYS 118 1HB LYS 118 -1.814 -16.203 -1.315 795 1HG LYS 118 2HG LYS 118 -4.175 -16.106 -1.498 796 2HG LYS 118 1HG LYS 118 -4.154 -14.353 -1.669 797 1HD LYS 118 2HD LYS 118 -3.010 -14.576 -3.822 798 2HD LYS 118 1HD LYS 118 -3.036 -16.332 -3.654 799 1HE LYS 118 2HE LYS 118 -5.457 -16.332 -3.672 800 2HE LYS 118 1HE LYS 118 -5.481 -14.572 -3.722 801 1HZ LYS 118 1HZ LYS 118 -5.854 -15.668 -5.901 802 2HZ LYS 118 2HZ LYS 118 -4.266 -16.262 -5.841 803 3HZ LYS 118 3HZ LYS 118 -4.545 -14.595 -5.897 804 H LEU 119 H LEU 119 -0.777 -12.830 0.667 805 HA LEU 119 HA LEU 119 1.468 -14.426 1.666 806 1HB LEU 119 2HB LEU 119 1.109 -11.632 0.704 807 2HB LEU 119 1HB LEU 119 2.363 -11.918 1.894 808 HG LEU 119 HG LEU 119 2.177 -13.314 -0.777 809 1HD1 LEU 119 1HD1 LEU 119 3.967 -11.072 0.154 810 2HD1 LEU 119 2HD1 LEU 119 2.663 -10.936 -1.023 811 3HD1 LEU 119 3HD1 LEU 119 4.086 -11.910 -1.393 812 1HD2 LEU 119 1HD2 LEU 119 4.348 -13.289 1.318 813 2HD2 LEU 119 2HD2 LEU 119 4.435 -14.083 -0.255 814 3HD2 LEU 119 3HD2 LEU 119 3.280 -14.645 0.954 815 H GLU 120 H GLU 120 -0.982 -14.261 3.178 816 HA GLU 120 HA GLU 120 -1.490 -12.421 5.010 817 1HB GLU 120 2HB GLU 120 -2.683 -14.545 4.939 818 2HB GLU 120 1HB GLU 120 -1.296 -15.371 5.636 819 1HG GLU 120 2HG GLU 120 -1.542 -14.089 7.689 820 2HG GLU 120 1HG GLU 120 -2.904 -13.216 6.994
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