NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
26585 | 2nmb | 4263 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA SER 64 HA SER 64 -14.371 14.976 14.976 2 1HB SER 64 1HB SER 64 -13.835 17.185 17.185 3 2HB SER 64 2HB SER 64 -12.330 16.347 16.347 4 HG SER 64 HG SER 64 -12.274 17.396 17.396 5 H LYS 65 H LYS 65 -15.669 13.209 13.209 6 HA LYS 65 HA LYS 65 -17.347 12.724 12.724 7 1HB LYS 65 1HB LYS 65 -17.744 15.409 15.409 8 2HB LYS 65 2HB LYS 65 -18.355 15.269 15.269 9 1HG LYS 65 2HG LYS 65 -19.453 13.073 13.073 10 2HG LYS 65 1HG LYS 65 -19.280 13.947 13.947 11 1HD LYS 65 2HD LYS 65 -20.922 15.385 15.385 12 2HD LYS 65 1HD LYS 65 -20.356 15.582 15.582 13 1HE LYS 65 1HE LYS 65 -21.893 14.172 14.172 14 2HE LYS 65 2HE LYS 65 -21.455 12.947 12.947 15 1HZ LYS 65 3HZ LYS 65 -23.008 15.216 15.216 16 2HZ LYS 65 2HZ LYS 65 -23.817 14.122 14.122 17 3HZ LYS 65 1HZ LYS 65 -23.098 13.582 13.582 18 HA PRO 66 HA PRO 66 -16.580 12.976 12.976 19 1HB PRO 66 2HB PRO 66 -18.845 14.907 14.907 20 2HB PRO 66 1HB PRO 66 -18.447 13.475 13.475 21 1HG PRO 66 2HG PRO 66 -20.384 13.383 13.383 22 2HG PRO 66 1HG PRO 66 -19.277 12.014 12.014 23 1HD PRO 66 2HD PRO 66 -19.394 14.038 14.038 24 2HD PRO 66 1HD PRO 66 -18.868 12.344 12.344 25 H HIS 67 H HIS 67 -14.672 14.036 14.036 26 HA HIS 67 HA HIS 67 -14.485 16.418 16.418 27 1HB HIS 67 1HB HIS 67 -14.874 16.815 16.815 28 2HB HIS 67 2HB HIS 67 -13.386 17.558 17.558 29 HD1 HIS 67 HD1 HIS 67 -15.564 19.426 19.426 30 HD2 HIS 67 HD2 HIS 67 -15.269 18.099 18.099 31 HE1 HIS 67 HE1 HIS 67 -16.793 21.123 21.123 32 H GLN 68 H GLN 68 -12.588 15.787 15.787 33 HA GLN 68 HA GLN 68 -10.247 15.298 15.298 34 1HB GLN 68 1HB GLN 68 -10.578 16.044 16.044 35 2HB GLN 68 2HB GLN 68 -9.041 15.475 15.475 36 1HG GLN 68 2HG GLN 68 -8.736 17.351 17.351 37 2HG GLN 68 1HG GLN 68 -10.454 17.748 17.748 38 1HE2 GLN 68 2HE2 GLN 68 -8.344 19.919 19.919 39 2HE2 GLN 68 1HE2 GLN 68 -8.022 19.305 19.305 40 H TRP 69 H TRP 69 -12.258 13.827 13.827 41 HA TRP 69 HA TRP 69 -10.686 11.569 11.569 42 1HB TRP 69 1HB TRP 69 -13.120 12.541 12.541 43 2HB TRP 69 2HB TRP 69 -13.565 11.059 11.059 44 HD1 TRP 69 HD1 TRP 69 -10.525 11.776 11.776 45 HE1 TRP 69 HE1 TRP 69 -10.498 9.979 9.979 46 HE3 TRP 69 HE3 TRP 69 -14.783 9.250 9.250 47 HZ2 TRP 69 2HZ TRP 69 -12.077 7.783 7.783 48 HZ3 TRP 69 HZ3 TRP 69 -15.455 7.311 7.311 49 HH2 TRP 69 HH2 TRP 69 -14.129 6.594 6.594 50 H GLN 70 H GLN 70 -12.869 12.334 12.334 51 HA GLN 70 HA GLN 70 -13.152 9.717 9.717 52 1HB GLN 70 1HB GLN 70 -14.178 10.732 10.732 53 2HB GLN 70 2HB GLN 70 -14.550 11.803 11.803 54 1HG GLN 70 1HG GLN 70 -12.805 13.329 13.329 55 2HG GLN 70 2HG GLN 70 -12.351 12.245 12.245 56 1HE2 GLN 70 2HE2 GLN 70 -14.487 13.814 13.814 57 2HE2 GLN 70 1HE2 GLN 70 -12.983 13.029 13.029 58 H ALA 71 H ALA 71 -10.726 12.177 12.177 59 HA ALA 71 HA ALA 71 -9.379 11.118 11.118 60 1HB ALA 71 1HB ALA 71 -9.070 13.359 13.359 61 2HB ALA 71 3HB ALA 71 -7.518 12.598 12.598 62 3HB ALA 71 2HB ALA 71 -8.538 13.171 13.171 63 H ASP 72 H ASP 72 -8.506 11.134 11.134 64 HA ASP 72 HA ASP 72 -6.267 9.491 9.491 65 1HB ASP 72 1HB ASP 72 -6.279 9.274 9.274 66 2HB ASP 72 2HB ASP 72 -6.943 10.869 10.869 67 H GLU 73 H GLU 73 -9.665 8.668 8.668 68 HA GLU 73 HA GLU 73 -9.366 5.934 5.934 69 1HB GLU 73 1HB GLU 73 -11.493 7.376 7.376 70 2HB GLU 73 2HB GLU 73 -11.622 7.070 7.070 71 1HG GLU 73 1HG GLU 73 -12.153 4.872 4.872 72 2HG GLU 73 2HG GLU 73 -11.275 4.742 4.742 73 H GLU 74 H GLU 74 -9.063 7.750 7.750 74 HA GLU 74 HA GLU 74 -9.048 5.339 5.339 75 1HB GLU 74 2HB GLU 74 -10.017 7.790 7.790 76 2HB GLU 74 1HB GLU 74 -8.389 7.985 7.985 77 1HG GLU 74 2HG GLU 74 -8.862 6.798 6.798 78 2HG GLU 74 1HG GLU 74 -9.568 5.492 5.492 79 H ALA 75 H ALA 75 -6.889 7.724 7.724 80 HA ALA 75 HA ALA 75 -4.623 7.397 7.397 81 1HB ALA 75 1HB ALA 75 -5.172 8.263 8.263 82 2HB ALA 75 3HB ALA 75 -3.534 7.677 7.677 83 3HB ALA 75 2HB ALA 75 -4.175 9.007 9.007 84 H VAL 76 H VAL 76 -5.580 5.525 5.525 85 HA VAL 76 HA VAL 76 -3.420 3.747 3.747 86 HB VAL 76 HB VAL 76 -6.256 3.376 3.376 87 1HG1 VAL 76 2HG1 VAL 76 -3.926 1.517 1.517 88 2HG1 VAL 76 1HG1 VAL 76 -5.029 1.567 1.567 89 3HG1 VAL 76 3HG1 VAL 76 -5.640 1.168 1.168 90 1HG2 VAL 76 2HG2 VAL 76 -4.769 5.123 5.123 91 2HG2 VAL 76 1HG2 VAL 76 -5.421 3.901 3.901 92 3HG2 VAL 76 3HG2 VAL 76 -3.746 3.793 3.793 93 H ARG 77 H ARG 77 -6.491 3.669 3.669 94 HA ARG 77 HA ARG 77 -6.403 1.077 1.077 95 1HB ARG 77 1HB ARG 77 -8.014 3.311 3.311 96 2HB ARG 77 2HB ARG 77 -7.362 3.010 3.010 97 1HG ARG 77 1HG ARG 77 -8.315 0.603 0.603 98 2HG ARG 77 2HG ARG 77 -9.569 1.813 1.813 99 1HD ARG 77 2HD ARG 77 -9.375 0.216 0.216 100 2HD ARG 77 1HD ARG 77 -9.028 1.871 1.871 101 HE ARG 77 HE ARG 77 -6.704 0.324 0.324 102 1HH1 ARG 77 2HH2 ARG 77 -8.868 1.264 1.264 103 2HH1 ARG 77 1HH2 ARG 77 -7.722 0.940 0.940 104 1HH2 ARG 77 2HH1 ARG 77 -5.191 -0.105 -0.105 105 2HH2 ARG 77 1HH1 ARG 77 -5.633 0.163 0.163 106 H SER 78 H SER 78 -4.861 4.025 4.025 107 HA SER 78 HA SER 78 -3.610 2.563 2.563 108 1HB SER 78 1HB SER 78 -4.622 5.075 5.075 109 2HB SER 78 2HB SER 78 -2.929 5.411 5.411 110 HG SER 78 HG SER 78 -4.093 4.661 4.661 111 H ALA 79 H ALA 79 -2.940 2.945 2.945 112 HA ALA 79 HA ALA 79 -1.080 2.637 2.637 113 1HB ALA 79 3HB ALA 79 -0.305 1.604 1.604 114 2HB ALA 79 2HB ALA 79 1.043 2.077 2.077 115 3HB ALA 79 1HB ALA 79 -0.129 0.887 0.887 116 H THR 80 H THR 80 -1.261 4.946 4.946 117 HA THR 80 HA THR 80 1.159 6.289 6.289 118 HB THR 80 HB THR 80 0.888 6.568 6.568 119 HG1 THR 80 1HG THR 80 1.492 8.542 8.542 120 1HG2 THR 80 3HG2 THR 80 -1.863 6.598 6.598 121 2HG2 THR 80 2HG2 THR 80 -1.464 8.169 8.169 122 3HG2 THR 80 1HG2 THR 80 -1.044 6.691 6.691 123 H CYS 81 H CYS 81 -0.253 6.050 6.050 124 HA CYS 81 HA CYS 81 -1.697 8.594 8.594 125 1HB CYS 81 2HB CYS 81 -2.636 6.002 6.002 126 2HB CYS 81 1HB CYS 81 -2.245 6.629 6.629 127 HG CYS 81 HG CYS 81 -4.737 7.198 7.198 128 H SER 82 H SER 82 -1.824 8.807 8.807 129 HA SER 82 HA SER 82 0.369 8.157 8.157 130 1HB SER 82 1HB SER 82 0.824 10.476 10.476 131 2HB SER 82 2HB SER 82 1.419 10.604 10.604 132 HG SER 82 HG SER 82 1.965 8.355 8.355 133 H PHE 83 H PHE 83 0.423 9.266 9.266 134 HA PHE 83 HA PHE 83 -1.361 11.442 11.442 135 1HB PHE 83 1HB PHE 83 -2.130 8.635 8.635 136 2HB PHE 83 2HB PHE 83 -2.600 9.965 9.965 137 HD1 PHE 83 HD1 PHE 83 -4.057 11.774 11.774 138 HD2 PHE 83 HD2 PHE 83 -3.249 8.227 8.227 139 HE1 PHE 83 HE1 PHE 83 -6.002 12.230 12.230 140 HE2 PHE 83 HE2 PHE 83 -5.192 8.677 8.677 141 HZ PHE 83 HZ PHE 83 -6.571 10.681 10.681 142 H SER 84 H SER 84 -0.848 12.470 12.470 143 HA SER 84 HA SER 84 1.648 11.973 11.973 144 1HB SER 84 1HB SER 84 0.493 14.187 14.187 145 2HB SER 84 2HB SER 84 -0.625 13.583 13.583 146 HG SER 84 HG SER 84 1.302 14.810 14.810 147 H VAL 85 H VAL 85 2.136 11.418 11.418 148 HA VAL 85 HA VAL 85 0.299 10.327 10.327 149 HB VAL 85 HB VAL 85 -0.086 8.606 8.606 150 1HG1 VAL 85 3HG2 VAL 85 2.894 8.227 8.227 151 2HG1 VAL 85 2HG2 VAL 85 1.800 7.021 7.021 152 3HG1 VAL 85 1HG2 VAL 85 1.912 8.619 8.619 153 1HG2 VAL 85 2HG1 VAL 85 -0.108 8.049 8.049 154 2HG2 VAL 85 1HG1 VAL 85 0.255 6.676 6.676 155 3HG2 VAL 85 3HG1 VAL 85 1.555 7.476 7.476 156 H LYS 86 H LYS 86 1.301 9.186 9.186 157 HA LYS 86 HA LYS 86 4.166 9.828 9.828 158 1HB LYS 86 2HB LYS 86 2.488 9.328 9.328 159 2HB LYS 86 1HB LYS 86 3.860 10.408 10.408 160 1HG LYS 86 1HG LYS 86 2.267 11.777 11.777 161 2HG LYS 86 2HG LYS 86 0.989 10.848 10.848 162 1HD LYS 86 2HD LYS 86 1.790 11.604 11.604 163 2HD LYS 86 1HD LYS 86 3.066 12.532 12.532 164 1HE LYS 86 2HE LYS 86 1.639 14.242 14.242 165 2HE LYS 86 1HE LYS 86 0.766 13.367 13.367 166 1HZ LYS 86 1HZ LYS 86 0.226 12.882 12.882 167 2HZ LYS 86 3HZ LYS 86 -0.538 14.138 14.138 168 3HZ LYS 86 2HZ LYS 86 -0.756 12.535 12.535 169 H TYR 87 H TYR 87 4.411 7.694 7.694 170 HA TYR 87 HA TYR 87 3.670 5.247 5.247 171 1HB TYR 87 1HB TYR 87 4.585 5.313 5.313 172 2HB TYR 87 2HB TYR 87 6.077 6.051 6.051 173 HD1 TYR 87 HD1 TYR 87 7.804 4.711 4.711 174 HD2 TYR 87 HD2 TYR 87 4.213 2.929 2.929 175 HE1 TYR 87 HE1 TYR 87 8.844 2.490 2.490 176 HE2 TYR 87 HE2 TYR 87 5.243 0.703 0.703 177 HH TYR 87 HH2 TYR 87 8.511 0.210 0.210 178 H LEU 88 H LEU 88 3.957 4.667 4.667 179 HA LEU 88 HA LEU 88 5.781 5.579 5.579 180 1HB LEU 88 1HB LEU 88 4.134 3.144 3.144 181 2HB LEU 88 2HB LEU 88 5.471 3.042 3.042 182 HG LEU 88 HG LEU 88 4.611 4.905 4.905 183 1HD1 LEU 88 1HD2 LEU 88 3.605 5.925 5.925 184 2HD1 LEU 88 3HD2 LEU 88 2.151 5.085 5.085 185 3HD1 LEU 88 2HD2 LEU 88 2.909 6.296 6.296 186 1HD2 LEU 88 1HD1 LEU 88 3.117 2.477 2.477 187 2HD2 LEU 88 3HD1 LEU 88 3.465 3.315 3.315 188 3HD2 LEU 88 2HD1 LEU 88 2.071 3.789 3.789 189 H GLY 89 H GLY 89 6.106 2.263 2.263 190 1HA GLY 89 2HA GLY 89 8.658 2.499 2.499 191 2HA GLY 89 1HA GLY 89 8.864 2.126 2.126 192 H CYS 90 H CYS 90 9.487 0.061 0.061 193 HA CYS 90 HA CYS 90 7.646 -1.942 -1.942 194 1HB CYS 90 2HB CYS 90 9.911 -3.216 -3.216 195 2HB CYS 90 1HB CYS 90 9.016 -2.223 -2.223 196 HG CYS 90 HG CYS 90 10.926 -0.693 -0.693 197 H VAL 91 H VAL 91 7.787 -3.964 -3.964 198 HA VAL 91 HA VAL 91 9.582 -4.173 -4.173 199 HB VAL 91 HB VAL 91 7.638 -5.094 -5.094 200 1HG1 VAL 91 3HG1 VAL 91 8.460 -2.399 -2.399 201 2HG1 VAL 91 2HG1 VAL 91 6.736 -2.427 -2.427 202 3HG1 VAL 91 1HG1 VAL 91 7.892 -3.135 -3.135 203 1HG2 VAL 91 3HG2 VAL 91 6.184 -3.993 -3.993 204 2HG2 VAL 91 2HG2 VAL 91 5.918 -5.497 -5.497 205 3HG2 VAL 91 1HG2 VAL 91 5.425 -3.959 -3.959 206 H GLU 92 H GLU 92 9.479 -6.420 -6.420 207 HA GLU 92 HA GLU 92 9.456 -8.355 -8.355 208 1HB GLU 92 2HB GLU 92 10.681 -9.813 -9.813 209 2HB GLU 92 1HB GLU 92 11.460 -8.242 -8.242 210 1HG GLU 92 1HG GLU 92 10.735 -7.562 -7.562 211 2HG GLU 92 2HG GLU 92 9.564 -8.878 -8.878 212 H VAL 93 H VAL 93 8.211 -10.209 -10.209 213 HA VAL 93 HA VAL 93 6.393 -10.692 -10.692 214 HB VAL 93 HB VAL 93 4.507 -10.984 -10.984 215 1HG1 VAL 93 2HG1 VAL 93 4.662 -9.261 -9.261 216 2HG1 VAL 93 1HG1 VAL 93 5.373 -8.170 -8.170 217 3HG1 VAL 93 3HG1 VAL 93 3.730 -8.770 -8.770 218 1HG2 VAL 93 3HG2 VAL 93 5.958 -10.685 -10.685 219 2HG2 VAL 93 2HG2 VAL 93 4.626 -9.529 -9.529 220 3HG2 VAL 93 1HG2 VAL 93 6.253 -9.017 -9.017 221 H PHE 94 H PHE 94 4.977 -12.694 -12.694 222 HA PHE 94 HA PHE 94 6.719 -14.681 -14.681 223 1HB PHE 94 1HB PHE 94 4.871 -14.991 -14.991 224 2HB PHE 94 2HB PHE 94 5.659 -16.339 -16.339 225 HD1 PHE 94 HD2 PHE 94 8.322 -15.058 -15.058 226 HD2 PHE 94 HD1 PHE 94 5.844 -15.113 -15.113 227 HE1 PHE 94 HE2 PHE 94 10.306 -14.757 -14.757 228 HE2 PHE 94 HE1 PHE 94 7.825 -14.812 -14.812 229 HZ PHE 94 HZ PHE 94 10.059 -14.633 -14.633 230 H GLU 95 H GLU 95 4.503 -13.033 -13.033 231 HA GLU 95 HA GLU 95 3.037 -15.258 -15.258 232 1HB GLU 95 1HB GLU 95 1.873 -13.167 -13.167 233 2HB GLU 95 2HB GLU 95 1.025 -13.427 -13.427 234 1HG GLU 95 2HG GLU 95 1.708 -15.895 -15.895 235 2HG GLU 95 1HG GLU 95 0.632 -14.833 -14.833 236 H SER 96 H SER 96 2.616 -11.726 -11.726 237 HA SER 96 HA SER 96 2.669 -10.234 -10.234 238 1HB SER 96 2HB SER 96 4.811 -12.175 -12.175 239 2HB SER 96 1HB SER 96 4.367 -10.843 -10.843 240 HG SER 96 HG SER 96 5.908 -9.972 -9.972 241 H ARG 97 H ARG 97 0.926 -12.744 -12.744 242 HA ARG 97 HA ARG 97 -0.010 -12.302 -12.302 243 1HB ARG 97 2HB ARG 97 -0.434 -14.847 -14.847 244 2HB ARG 97 1HB ARG 97 1.185 -14.250 -14.250 245 1HG ARG 97 2HG ARG 97 2.074 -15.265 -15.265 246 2HG ARG 97 1HG ARG 97 0.677 -14.915 -14.915 247 1HD ARG 97 1HD ARG 97 -0.439 -16.698 -16.698 248 2HD ARG 97 2HD ARG 97 1.232 -17.251 -17.251 249 HE ARG 97 HE ARG 97 0.768 -16.979 -16.979 250 1HH1 ARG 97 1HH1 ARG 97 -0.802 -18.698 -18.698 251 2HH1 ARG 97 2HH1 ARG 97 -1.374 -19.976 -19.976 252 1HH2 ARG 97 2HH2 ARG 97 0.021 -18.656 -18.656 253 2HH2 ARG 97 1HH2 ARG 97 -0.905 -19.953 -19.953 254 H GLY 98 H GLY 98 -1.420 -11.077 -11.077 255 1HA GLY 98 1HA GLY 98 -3.941 -12.290 -12.290 256 2HA GLY 98 2HA GLY 98 -3.201 -12.424 -12.424 257 H MET 99 H MET 99 -5.016 -11.100 -11.100 258 HA MET 99 HA MET 99 -4.563 -8.241 -8.241 259 1HB MET 99 2HB MET 99 -6.827 -9.528 -9.528 260 2HB MET 99 1HB MET 99 -7.198 -9.136 -9.136 261 1HG MET 99 1HG MET 99 -6.129 -6.826 -6.826 262 2HG MET 99 2HG MET 99 -7.437 -7.493 -7.493 263 1HE MET 99 2HE MET 99 -6.167 -5.719 -5.719 264 2HE MET 99 1HE MET 99 -7.436 -4.515 -4.515 265 3HE MET 99 3HE MET 99 -7.423 -5.519 -5.519 266 H GLN 100 H GLN 100 -5.317 -10.673 -10.673 267 HA GLN 100 HA GLN 100 -5.631 -8.973 -8.973 268 1HB GLN 100 2HB GLN 100 -4.786 -11.849 -11.849 269 2HB GLN 100 1HB GLN 100 -4.872 -11.065 -11.065 270 1HG GLN 100 2HG GLN 100 -7.017 -11.584 -11.584 271 2HG GLN 100 1HG GLN 100 -7.295 -10.482 -10.482 272 1HE2 GLN 100 2HE2 GLN 100 -8.738 -13.398 -13.398 273 2HE2 GLN 100 1HE2 GLN 100 -9.064 -11.986 -11.986 274 H VAL 101 H VAL 101 -2.802 -10.040 -10.040 275 HA VAL 101 HA VAL 101 -0.941 -9.448 -9.448 276 HB VAL 101 HB VAL 101 -0.318 -9.652 -9.652 277 1HG1 VAL 101 1HG1 VAL 101 1.291 -8.960 -8.960 278 2HG1 VAL 101 3HG1 VAL 101 1.567 -10.697 -10.697 279 3HG1 VAL 101 2HG1 VAL 101 1.846 -9.659 -9.659 280 1HG2 VAL 101 2HG2 VAL 101 -0.599 -11.854 -11.854 281 2HG2 VAL 101 1HG2 VAL 101 -1.564 -11.623 -11.623 282 3HG2 VAL 101 3HG2 VAL 101 0.143 -12.050 -12.050 283 H CYS 102 H CYS 102 -2.384 -7.687 -7.687 284 HA CYS 102 HA CYS 102 -0.549 -5.508 -5.508 285 1HB CYS 102 2HB CYS 102 -3.289 -5.955 -5.955 286 2HB CYS 102 1HB CYS 102 -2.573 -4.347 -4.347 287 HG CYS 102 HG CYS 102 -2.091 -5.814 -5.814 288 H GLU 103 H GLU 103 -3.619 -6.155 -6.155 289 HA GLU 103 HA GLU 103 -4.062 -3.595 -3.595 290 1HB GLU 103 2HB GLU 103 -5.150 -6.257 -6.257 291 2HB GLU 103 1HB GLU 103 -5.054 -5.416 -5.416 292 1HG GLU 103 2HG GLU 103 -6.193 -3.470 -3.470 293 2HG GLU 103 1HG GLU 103 -6.589 -4.671 -4.671 294 H GLU 104 H GLU 104 -2.154 -6.313 -6.313 295 HA GLU 104 HA GLU 104 -1.464 -4.913 -4.913 296 1HB GLU 104 1HB GLU 104 -0.128 -6.951 -6.951 297 2HB GLU 104 2HB GLU 104 -1.824 -7.295 -7.295 298 1HG GLU 104 1HG GLU 104 -1.335 -8.120 -8.120 299 2HG GLU 104 2HG GLU 104 0.331 -7.552 -7.552 300 H ALA 105 H ALA 105 -0.034 -5.764 -5.764 301 HA ALA 105 HA ALA 105 2.641 -5.228 -5.228 302 1HB ALA 105 3HB ALA 105 0.945 -5.011 -5.011 303 2HB ALA 105 2HB ALA 105 2.632 -4.499 -4.499 304 3HB ALA 105 1HB ALA 105 2.224 -6.166 -6.166 305 H LEU 106 H LEU 106 0.126 -2.980 -2.980 306 HA LEU 106 HA LEU 106 1.633 -0.675 -0.675 307 1HB LEU 106 1HB LEU 106 -1.013 -1.290 -1.290 308 2HB LEU 106 2HB LEU 106 -1.031 -0.302 -0.302 309 HG LEU 106 HG LEU 106 0.279 0.622 0.622 310 1HD1 LEU 106 1HD2 LEU 106 -2.590 0.871 0.871 311 2HD1 LEU 106 3HD2 LEU 106 -1.840 1.956 1.956 312 3HD1 LEU 106 2HD2 LEU 106 -1.957 0.229 0.229 313 1HD2 LEU 106 3HD1 LEU 106 0.610 1.640 1.640 314 2HD2 LEU 106 2HD1 LEU 106 0.432 2.677 2.677 315 3HD2 LEU 106 1HD1 LEU 106 -0.945 2.392 2.392 316 H LYS 107 H LYS 107 0.002 -2.018 -2.018 317 HA LYS 107 HA LYS 107 0.595 0.019 0.019 318 1HB LYS 107 1HB LYS 107 -0.964 -1.700 -1.700 319 2HB LYS 107 2HB LYS 107 0.250 -2.955 -2.955 320 1HG LYS 107 2HG LYS 107 0.964 -0.895 -0.895 321 2HG LYS 107 1HG LYS 107 -0.456 -1.854 -1.854 322 1HD LYS 107 2HD LYS 107 1.707 -3.490 -3.490 323 2HD LYS 107 1HD LYS 107 2.190 -2.571 -2.571 324 1HE LYS 107 1HE LYS 107 -0.197 -3.445 -3.445 325 2HE LYS 107 2HE LYS 107 0.205 -4.747 -4.747 326 1HZ LYS 107 1HZ LYS 107 2.148 -3.845 -3.845 327 2HZ LYS 107 3HZ LYS 107 0.938 -4.960 -4.960 328 3HZ LYS 107 2HZ LYS 107 2.068 -5.331 -5.331 329 H VAL 108 H VAL 108 2.496 -2.751 -2.751 330 HA VAL 108 HA VAL 108 4.620 -2.447 -2.447 331 HB VAL 108 HB VAL 108 4.921 -3.586 -3.586 332 1HG1 VAL 108 1HG1 VAL 108 6.874 -3.239 -3.239 333 2HG1 VAL 108 3HG1 VAL 108 6.171 -4.594 -4.594 334 3HG1 VAL 108 2HG1 VAL 108 6.703 -4.809 -4.809 335 1HG2 VAL 108 2HG2 VAL 108 3.286 -4.555 -4.555 336 2HG2 VAL 108 1HG2 VAL 108 3.190 -4.926 -4.926 337 3HG2 VAL 108 3HG2 VAL 108 4.372 -5.751 -5.751 338 H LEU 109 H LEU 109 4.022 -1.145 -1.145 339 HA LEU 109 HA LEU 109 6.508 -0.002 -0.002 340 1HB LEU 109 1HB LEU 109 3.728 0.479 0.479 341 2HB LEU 109 2HB LEU 109 4.845 1.810 1.810 342 HG LEU 109 HG LEU 109 4.862 0.617 0.617 343 1HD1 LEU 109 3HD2 LEU 109 7.103 1.194 1.194 344 2HD1 LEU 109 2HD2 LEU 109 7.244 -0.512 -0.512 345 3HD1 LEU 109 1HD2 LEU 109 7.110 -0.030 -0.030 346 1HD2 LEU 109 2HD1 LEU 109 4.667 -1.743 -1.743 347 2HD2 LEU 109 1HD1 LEU 109 3.919 -1.422 -1.422 348 3HD2 LEU 109 3HD1 LEU 109 5.602 -1.943 -1.943 349 H ARG 110 H ARG 110 3.994 0.945 0.945 350 HA ARG 110 HA ARG 110 5.063 3.606 3.606 351 1HB ARG 110 2HB ARG 110 2.586 2.300 2.300 352 2HB ARG 110 1HB ARG 110 3.196 2.847 2.847 353 1HG ARG 110 1HG ARG 110 3.344 5.109 5.109 354 2HG ARG 110 2HG ARG 110 2.913 4.607 4.607 355 1HD ARG 110 1HD ARG 110 1.156 4.389 4.389 356 2HD ARG 110 2HD ARG 110 1.003 5.593 5.593 357 HE ARG 110 HE ARG 110 0.893 3.016 3.016 358 1HH1 ARG 110 1HH1 ARG 110 -0.980 5.180 5.180 359 2HH1 ARG 110 2HH1 ARG 110 -2.504 4.527 4.527 360 1HH2 ARG 110 1HH2 ARG 110 -1.108 2.147 2.147 361 2HH2 ARG 110 2HH2 ARG 110 -2.578 2.802 2.802 362 H GLN 111 H GLN 111 4.448 0.828 0.828 363 HA GLN 111 HA GLN 111 5.817 1.688 1.688 364 1HB GLN 111 2HB GLN 111 5.933 -0.582 -0.582 365 2HB GLN 111 1HB GLN 111 4.454 -0.421 -0.421 366 1HG GLN 111 2HG GLN 111 5.179 -2.303 -2.303 367 2HG GLN 111 1HG GLN 111 6.153 -1.192 -1.192 368 1HE2 GLN 111 2HE2 GLN 111 8.844 -3.229 -3.229 369 2HE2 GLN 111 1HE2 GLN 111 7.744 -2.725 -2.725 370 H SER 112 H SER 112 7.127 0.338 0.338 371 HA SER 112 HA SER 112 9.797 0.084 0.084 372 1HB SER 112 1HB SER 112 8.437 -0.929 -0.929 373 2HB SER 112 2HB SER 112 9.632 0.168 0.168 374 HG SER 112 HG SER 112 10.801 -1.607 -1.607 375 H ARG 113 H ARG 113 11.350 1.074 1.074 376 HA ARG 113 HA ARG 113 10.986 3.974 3.974 377 1HB ARG 113 2HB ARG 113 13.550 3.829 3.829 378 2HB ARG 113 1HB ARG 113 13.042 3.693 3.693 379 1HG ARG 113 1HG ARG 113 14.648 1.985 1.985 380 2HG ARG 113 2HG ARG 113 13.069 1.226 1.226 381 1HD ARG 113 1HD ARG 113 12.954 0.541 0.541 382 2HD ARG 113 2HD ARG 113 13.764 1.982 1.982 383 HE ARG 113 HE ARG 113 15.722 0.819 0.819 384 1HH1 ARG 113 2HH2 ARG 113 13.480 -0.733 -0.733 385 2HH1 ARG 113 1HH2 ARG 113 14.534 -2.064 -2.064 386 1HH2 ARG 113 2HH1 ARG 113 17.117 -0.930 -0.930 387 2HH2 ARG 113 1HH1 ARG 113 16.601 -2.176 -2.176 388 H ARG 114 H ARG 114 9.559 2.717 2.717 389 HA ARG 114 HA ARG 114 11.010 3.126 3.126 390 1HB ARG 114 2HB ARG 114 8.328 1.953 1.953 391 2HB ARG 114 1HB ARG 114 8.746 2.351 2.351 392 1HG ARG 114 2HG ARG 114 10.294 0.468 0.468 393 2HG ARG 114 1HG ARG 114 9.122 -0.016 -0.016 394 1HD ARG 114 2HD ARG 114 10.845 -0.086 -0.086 395 2HD ARG 114 1HD ARG 114 10.803 1.676 1.676 396 HE ARG 114 HE ARG 114 12.351 1.065 1.065 397 1HH1 ARG 114 1HH1 ARG 114 12.415 0.082 0.082 398 2HH1 ARG 114 2HH1 ARG 114 14.134 -0.131 -0.131 399 1HH2 ARG 114 1HH2 ARG 114 14.616 0.789 0.789 400 2HH2 ARG 114 2HH2 ARG 114 15.385 0.271 0.271 401 H ARG 115 H ARG 115 11.143 5.475 5.475 402 HA ARG 115 HA ARG 115 9.039 7.215 7.215 403 1HB ARG 115 2HB ARG 115 11.755 7.520 7.520 404 2HB ARG 115 1HB ARG 115 10.618 8.861 8.861 405 1HG ARG 115 2HG ARG 115 10.604 7.967 7.967 406 2HG ARG 115 1HG ARG 115 12.291 7.801 7.801 407 1HD ARG 115 1HD ARG 115 11.529 10.262 10.262 408 2HD ARG 115 2HD ARG 115 10.747 10.190 10.190 409 HE ARG 115 HE ARG 115 12.808 10.329 10.329 410 1HH1 ARG 115 1HH1 ARG 115 13.204 9.627 9.627 411 2HH1 ARG 115 2HH1 ARG 115 14.920 9.866 9.866 412 1HH2 ARG 115 1HH2 ARG 115 15.067 10.647 10.647 413 2HH2 ARG 115 2HH2 ARG 115 15.979 10.447 10.447 414 HA PRO 116 HA PRO 116 7.090 6.896 6.896 415 1HB PRO 116 2HB PRO 116 5.220 8.800 8.800 416 2HB PRO 116 1HB PRO 116 5.142 7.268 7.268 417 1HG PRO 116 1HG PRO 116 6.060 9.952 9.952 418 2HG PRO 116 2HG PRO 116 5.084 8.740 8.740 419 1HD PRO 116 2HD PRO 116 7.783 9.104 9.104 420 2HD PRO 116 1HD PRO 116 6.924 7.584 7.584 421 H VAL 117 H VAL 117 7.320 7.800 7.800 422 HA VAL 117 HA VAL 117 9.048 10.060 10.060 423 HB VAL 117 HB VAL 117 8.642 9.654 9.654 424 1HG1 VAL 117 3HG1 VAL 117 10.318 8.429 8.429 425 2HG1 VAL 117 2HG1 VAL 117 9.435 7.031 7.031 426 3HG1 VAL 117 1HG1 VAL 117 10.283 8.099 8.099 427 1HG2 VAL 117 3HG2 VAL 117 6.363 8.495 8.495 428 2HG2 VAL 117 2HG2 VAL 117 7.250 8.028 8.028 429 3HG2 VAL 117 1HG2 VAL 117 7.386 7.059 7.059 430 H ARG 118 H ARG 118 8.426 11.680 11.680 431 HA ARG 118 HA ARG 118 5.615 12.483 12.483 432 1HB ARG 118 2HB ARG 118 6.793 13.826 13.826 433 2HB ARG 118 1HB ARG 118 7.982 14.310 14.310 434 1HG ARG 118 1HG ARG 118 6.552 15.767 15.767 435 2HG ARG 118 2HG ARG 118 5.111 14.886 14.886 436 1HD ARG 118 2HD ARG 118 4.921 16.081 16.081 437 2HD ARG 118 1HD ARG 118 6.639 15.935 15.935 438 HE ARG 118 HE ARG 118 6.079 17.795 17.795 439 1HH1 ARG 118 2HH2 ARG 118 6.289 17.386 17.386 440 2HH1 ARG 118 1HH2 ARG 118 6.596 19.062 19.062 441 1HH2 ARG 118 2HH1 ARG 118 6.483 20.002 20.002 442 2HH2 ARG 118 1HH1 ARG 118 6.707 20.549 20.549 443 H GLY 119 H GLY 119 5.756 11.434 11.434 444 1HA GLY 119 2HA GLY 119 6.505 13.443 13.443 445 2HA GLY 119 1HA GLY 119 7.115 11.806 11.806 446 H LEU 120 H LEU 120 6.076 10.907 10.907 447 HA LEU 120 HA LEU 120 3.160 10.796 10.796 448 1HB LEU 120 1HB LEU 120 3.536 12.674 12.674 449 2HB LEU 120 2HB LEU 120 4.783 11.824 11.824 450 HG LEU 120 HG LEU 120 2.393 10.303 10.303 451 1HD1 LEU 120 3HD2 LEU 120 1.426 12.609 12.609 452 2HD1 LEU 120 2HD2 LEU 120 1.922 13.085 13.085 453 3HD1 LEU 120 1HD2 LEU 120 0.770 11.767 11.767 454 1HD2 LEU 120 1HD1 LEU 120 4.477 11.351 11.351 455 2HD2 LEU 120 3HD1 LEU 120 3.333 10.060 10.060 456 3HD2 LEU 120 2HD1 LEU 120 2.933 11.732 11.732 457 H LEU 121 H LEU 121 2.287 8.944 8.944 458 HA LEU 121 HA LEU 121 4.135 6.782 6.782 459 1HB LEU 121 1HB LEU 121 1.811 6.866 6.866 460 2HB LEU 121 2HB LEU 121 1.223 6.314 6.314 461 HG LEU 121 HG LEU 121 3.276 4.955 4.955 462 1HD1 LEU 121 1HD2 LEU 121 0.759 4.805 4.805 463 2HD1 LEU 121 3HD2 LEU 121 0.677 3.830 3.830 464 3HD1 LEU 121 2HD2 LEU 121 1.678 3.303 3.303 465 1HD2 LEU 121 1HD1 LEU 121 3.574 4.910 4.910 466 2HD2 LEU 121 3HD1 LEU 121 3.734 3.432 3.432 467 3HD2 LEU 121 2HD1 LEU 121 2.238 3.763 3.763 468 H HIS 122 H HIS 122 4.787 6.387 6.387 469 HA HIS 122 HA HIS 122 3.373 7.468 7.468 470 1HB HIS 122 2HB HIS 122 5.949 5.965 5.965 471 2HB HIS 122 1HB HIS 122 5.266 6.185 6.185 472 HD1 HIS 122 HD1 HIS 122 6.514 8.041 8.041 473 HD2 HIS 122 HD2 HIS 122 5.784 8.809 8.809 474 HE1 HIS 122 HE1 HIS 122 7.420 10.358 10.358 475 H VAL 123 H VAL 123 1.397 6.300 6.300 476 HA VAL 123 HA VAL 123 1.526 3.418 3.418 477 HB VAL 123 HB VAL 123 -0.920 5.152 5.152 478 1HG1 VAL 123 2HG1 VAL 123 -1.188 2.944 2.944 479 2HG1 VAL 123 1HG1 VAL 123 -0.638 2.174 2.174 480 3HG1 VAL 123 3HG1 VAL 123 -2.121 3.127 3.127 481 1HG2 VAL 123 1HG2 VAL 123 0.914 4.822 4.822 482 2HG2 VAL 123 3HG2 VAL 123 -0.818 4.912 4.912 483 3HG2 VAL 123 2HG2 VAL 123 -0.018 3.343 3.343 484 H SER 124 H SER 124 1.340 2.577 2.577 485 HA SER 124 HA SER 124 -0.113 4.064 4.064 486 1HB SER 124 1HB SER 124 1.918 3.258 3.258 487 2HB SER 124 2HB SER 124 1.930 4.817 4.817 488 HG SER 124 HG SER 124 3.868 3.649 3.649 489 H GLY 125 H GLY 125 -1.061 1.832 1.832 490 1HA GLY 125 2HA GLY 125 -1.739 -0.364 -0.364 491 2HA GLY 125 1HA GLY 125 -2.009 0.195 0.195 492 H ASP 126 H ASP 126 0.911 -0.551 -0.551 493 HA ASP 126 HA ASP 126 1.545 -2.851 -2.851 494 1HB ASP 126 1HB ASP 126 2.107 -0.893 -0.893 495 2HB ASP 126 2HB ASP 126 3.387 -0.492 -0.492 496 H GLY 127 H GLY 127 2.732 -0.302 -0.302 497 1HA GLY 127 2HA GLY 127 3.576 -2.143 -2.143 498 2HA GLY 127 1HA GLY 127 4.967 -1.621 -1.621 499 H LEU 128 H LEU 128 3.257 -1.023 -1.023 500 HA LEU 128 HA LEU 128 3.168 1.800 1.800 501 1HB LEU 128 1HB LEU 128 3.541 0.024 0.024 502 2HB LEU 128 2HB LEU 128 2.777 1.596 1.596 503 HG LEU 128 HG LEU 128 0.846 0.473 0.473 504 1HD1 LEU 128 3HD2 LEU 128 1.195 1.097 1.097 505 2HD1 LEU 128 2HD2 LEU 128 1.358 -0.644 -0.644 506 3HD1 LEU 128 1HD2 LEU 128 -0.128 0.020 0.020 507 1HD2 LEU 128 1HD1 LEU 128 2.552 -1.888 -1.888 508 2HD2 LEU 128 3HD1 LEU 128 1.583 -1.553 -1.553 509 3HD2 LEU 128 2HD1 LEU 128 0.794 -2.018 -2.018 510 H ARG 129 H ARG 129 4.829 3.136 3.136 511 HA ARG 129 HA ARG 129 7.372 2.306 2.306 512 1HB ARG 129 1HB ARG 129 6.865 3.995 3.995 513 2HB ARG 129 2HB ARG 129 8.433 3.898 3.898 514 1HG ARG 129 2HG ARG 129 8.855 1.816 1.816 515 2HG ARG 129 1HG ARG 129 7.158 1.331 1.331 516 1HD ARG 129 1HD ARG 129 6.668 2.429 2.429 517 2HD ARG 129 2HD ARG 129 8.192 3.316 3.316 518 HE ARG 129 HE ARG 129 8.897 0.664 0.664 519 1HH1 ARG 129 1HH1 ARG 129 7.001 2.822 2.822 520 2HH1 ARG 129 2HH1 ARG 129 7.348 1.989 1.989 521 1HH2 ARG 129 2HH2 ARG 129 9.362 -0.441 -0.441 522 2HH2 ARG 129 1HH2 ARG 129 8.691 0.133 0.133 523 H VAL 130 H VAL 130 6.538 3.221 3.221 524 HA VAL 130 HA VAL 130 5.840 5.958 5.958 525 HB VAL 130 HB VAL 130 5.116 4.394 4.394 526 1HG1 VAL 130 2HG2 VAL 130 8.031 3.826 3.826 527 2HG1 VAL 130 1HG2 VAL 130 6.994 3.627 3.627 528 3HG1 VAL 130 3HG2 VAL 130 6.664 2.714 2.714 529 1HG2 VAL 130 3HG1 VAL 130 6.278 6.865 6.865 530 2HG2 VAL 130 2HG1 VAL 130 5.145 5.980 5.980 531 3HG2 VAL 130 1HG1 VAL 130 6.884 5.797 5.797 532 H VAL 131 H VAL 131 7.047 7.739 7.739 533 HA VAL 131 HA VAL 131 9.884 7.446 7.446 534 HB VAL 131 HB VAL 131 9.836 7.575 7.575 535 1HG1 VAL 131 2HG2 VAL 131 7.661 8.751 8.751 536 2HG1 VAL 131 1HG2 VAL 131 8.460 10.237 10.237 537 3HG1 VAL 131 3HG2 VAL 131 8.925 9.466 9.466 538 1HG2 VAL 131 2HG1 VAL 131 11.361 9.105 9.105 539 2HG2 VAL 131 1HG1 VAL 131 11.651 8.885 8.885 540 3HG2 VAL 131 3HG1 VAL 131 10.761 10.296 10.296 541 H ASP 132 H ASP 132 10.707 9.063 9.063 542 HA ASP 132 HA ASP 132 8.846 10.846 10.846 543 1HB ASP 132 2HB ASP 132 10.677 9.784 9.784 544 2HB ASP 132 1HB ASP 132 11.855 10.651 10.651 545 H ASP 133 H ASP 133 9.306 13.188 13.188 546 HA ASP 133 HA ASP 133 10.096 14.322 14.322 547 1HB ASP 133 2HB ASP 133 7.777 14.753 14.753 548 2HB ASP 133 1HB ASP 133 8.538 15.698 15.698 549 H GLU 134 H GLU 134 11.779 13.594 13.594 550 HA GLU 134 HA GLU 134 13.115 16.209 16.209 551 1HB GLU 134 1HB GLU 134 12.036 15.115 15.115 552 2HB GLU 134 2HB GLU 134 13.419 14.031 14.031 553 1HG GLU 134 1HG GLU 134 14.705 15.536 15.536 554 2HG GLU 134 2HG GLU 134 14.306 16.741 16.741 555 H THR 135 H THR 135 13.819 12.734 12.734 556 HA THR 135 HA THR 135 16.554 13.123 13.123 557 HB THR 135 HB THR 135 16.697 10.638 10.638 558 HG1 THR 135 1HG THR 135 14.956 9.513 9.513 559 1HG2 THR 135 3HG2 THR 135 15.626 12.276 12.276 560 2HG2 THR 135 2HG2 THR 135 16.165 10.608 10.608 561 3HG2 THR 135 1HG2 THR 135 17.299 11.844 11.844 562 H LYS 136 H LYS 136 13.542 12.089 12.089 563 HA LYS 136 HA LYS 136 12.915 11.630 11.630 564 1HB LYS 136 2HB LYS 136 15.076 13.419 13.419 565 2HB LYS 136 1HB LYS 136 15.366 12.153 12.153 566 1HG LYS 136 1HG LYS 136 14.095 14.082 14.082 567 2HG LYS 136 2HG LYS 136 13.243 12.543 12.543 568 1HD LYS 136 2HD LYS 136 11.533 13.322 13.322 569 2HD LYS 136 1HD LYS 136 12.610 13.765 13.765 570 1HE LYS 136 2HE LYS 136 12.008 15.870 15.870 571 2HE LYS 136 1HE LYS 136 13.130 15.727 15.727 572 1HZ LYS 136 1HZ LYS 136 10.461 14.724 14.724 573 2HZ LYS 136 3HZ LYS 136 10.555 16.393 16.393 574 3HZ LYS 136 2HZ LYS 136 11.465 15.672 15.672 575 H GLY 137 H GLY 137 13.661 9.484 9.484 576 1HA GLY 137 2HA GLY 137 15.094 7.826 7.826 577 2HA GLY 137 1HA GLY 137 15.342 7.628 7.628 578 H LEU 138 H LEU 138 14.287 5.832 5.832 579 HA LEU 138 HA LEU 138 11.533 5.371 5.371 580 1HB LEU 138 1HB LEU 138 12.890 4.654 4.654 581 2HB LEU 138 2HB LEU 138 13.498 3.344 3.344 582 HG LEU 138 HG LEU 138 11.418 2.275 2.275 583 1HD1 LEU 138 2HD1 LEU 138 10.163 4.818 4.818 584 2HD1 LEU 138 1HD1 LEU 138 9.315 3.299 3.299 585 3HD1 LEU 138 3HD1 LEU 138 10.045 4.175 4.175 586 1HD2 LEU 138 1HD2 LEU 138 12.514 2.194 2.194 587 2HD2 LEU 138 3HD2 LEU 138 10.764 1.992 1.992 588 3HD2 LEU 138 2HD2 LEU 138 11.494 3.537 3.537 589 H ILE 139 H ILE 139 10.562 4.174 4.174 590 HA ILE 139 HA ILE 139 12.287 2.907 2.907 591 HB ILE 139 HB ILE 139 9.345 3.388 3.388 592 1HG1 ILE 139 1HG1 ILE 139 11.551 5.325 5.325 593 2HG1 ILE 139 2HG1 ILE 139 10.513 5.507 5.507 594 1HG2 ILE 139 1HG2 ILE 139 11.575 2.504 2.504 595 2HG2 ILE 139 3HG2 ILE 139 10.586 3.764 3.764 596 3HG2 ILE 139 2HG2 ILE 139 9.840 2.259 2.259 597 1HD1 ILE 139 3HD1 ILE 139 8.687 5.213 5.213 598 2HD1 ILE 139 2HD1 ILE 139 9.984 6.078 6.078 599 3HD1 ILE 139 1HD1 ILE 139 9.259 6.754 6.754 600 H VAL 140 H VAL 140 9.213 2.265 2.265 601 HA VAL 140 HA VAL 140 9.718 -0.604 -0.604 602 HB VAL 140 HB VAL 140 7.051 0.627 0.627 603 1HG1 VAL 140 3HG1 VAL 140 8.013 -2.034 -2.034 604 2HG1 VAL 140 2HG1 VAL 140 6.908 -1.809 -1.809 605 3HG1 VAL 140 1HG1 VAL 140 6.364 -1.476 -1.476 606 1HG2 VAL 140 2HG2 VAL 140 8.003 1.445 1.445 607 2HG2 VAL 140 1HG2 VAL 140 6.457 0.603 0.603 608 3HG2 VAL 140 3HG2 VAL 140 7.947 -0.229 -0.229 609 H ASP 141 H ASP 141 11.198 -0.171 -0.171 610 HA ASP 141 HA ASP 141 9.999 0.224 0.224 611 1HB ASP 141 1HB ASP 141 12.204 -0.313 -0.313 612 2HB ASP 141 2HB ASP 141 12.365 0.782 0.782 613 H GLN 142 H GLN 142 8.303 -1.491 -1.491 614 HA GLN 142 HA GLN 142 9.241 -4.076 -4.076 615 1HB GLN 142 2HB GLN 142 7.207 -3.650 -3.650 616 2HB GLN 142 1HB GLN 142 7.618 -5.203 -5.203 617 1HG GLN 142 1HG GLN 142 9.962 -3.797 -3.797 618 2HG GLN 142 2HG GLN 142 8.770 -4.048 -4.048 619 1HE2 GLN 142 2HE2 GLN 142 11.182 -6.991 -6.991 620 2HE2 GLN 142 1HE2 GLN 142 11.448 -5.308 -5.308 621 H THR 143 H THR 143 7.721 -5.287 -5.287 622 HA THR 143 HA THR 143 5.922 -3.671 -3.671 623 HB THR 143 HB THR 143 6.576 -6.621 -6.621 624 HG1 THR 143 1HG THR 143 8.286 -5.734 -5.734 625 1HG2 THR 143 1HG2 THR 143 4.499 -5.164 -5.164 626 2HG2 THR 143 3HG2 THR 143 5.641 -5.934 -5.934 627 3HG2 THR 143 2HG2 THR 143 4.792 -6.901 -6.901 628 H ILE 144 H ILE 144 3.684 -3.850 -3.850 629 HA ILE 144 HA ILE 144 2.379 -4.554 -4.554 630 HB ILE 144 HB ILE 144 1.698 -2.696 -2.696 631 1HG1 ILE 144 1HG1 ILE 144 -0.665 -4.429 -4.429 632 2HG1 ILE 144 2HG1 ILE 144 0.347 -3.866 -3.866 633 1HG2 ILE 144 1HG2 ILE 144 1.596 -4.573 -4.573 634 2HG2 ILE 144 3HG2 ILE 144 -0.096 -4.560 -4.560 635 3HG2 ILE 144 2HG2 ILE 144 0.670 -3.073 -3.073 636 1HD1 ILE 144 3HD1 ILE 144 -0.173 -1.623 -1.623 637 2HD1 ILE 144 2HD1 ILE 144 -1.702 -2.482 -2.482 638 3HD1 ILE 144 1HD1 ILE 144 -0.798 -1.980 -1.980 639 H GLU 145 H GLU 145 2.828 -6.127 -6.127 640 HA GLU 145 HA GLU 145 0.822 -8.125 -8.125 641 1HB GLU 145 2HB GLU 145 1.426 -7.597 -7.597 642 2HB GLU 145 1HB GLU 145 3.135 -7.839 -7.839 643 1HG GLU 145 1HG GLU 145 3.008 -10.079 -10.079 644 2HG GLU 145 2HG GLU 145 1.368 -10.166 -10.166 645 H LYS 146 H LYS 146 4.193 -7.812 -7.812 646 HA LYS 146 HA LYS 146 4.427 -10.636 -10.636 647 1HB LYS 146 2HB LYS 146 6.283 -8.378 -8.378 648 2HB LYS 146 1HB LYS 146 6.742 -9.507 -9.507 649 1HG LYS 146 1HG LYS 146 7.064 -11.239 -11.239 650 2HG LYS 146 2HG LYS 146 5.946 -10.577 -10.577 651 1HD LYS 146 1HD LYS 146 7.573 -9.449 -9.449 652 2HD LYS 146 2HD LYS 146 8.214 -8.826 -8.826 653 1HE LYS 146 2HE LYS 146 8.700 -11.685 -11.685 654 2HE LYS 146 1HE LYS 146 9.520 -10.572 -10.572 655 1HZ LYS 146 3HZ LYS 146 9.654 -9.998 -9.998 656 2HZ LYS 146 2HZ LYS 146 10.572 -11.298 -11.298 657 3HZ LYS 146 1HZ LYS 146 10.810 -9.747 -9.747 658 H VAL 147 H VAL 147 4.305 -7.511 -7.511 659 HA VAL 147 HA VAL 147 4.901 -8.362 -8.362 660 HB VAL 147 HB VAL 147 4.816 -6.003 -6.003 661 1HG1 VAL 147 2HG2 VAL 147 2.807 -6.201 -6.201 662 2HG1 VAL 147 1HG2 VAL 147 1.816 -6.267 -6.267 663 3HG1 VAL 147 3HG2 VAL 147 2.765 -4.825 -4.825 664 1HG2 VAL 147 3HG1 VAL 147 4.429 -6.872 -6.872 665 2HG2 VAL 147 2HG1 VAL 147 4.091 -5.179 -5.179 666 3HG2 VAL 147 1HG1 VAL 147 2.767 -6.336 -6.336 667 H SER 148 H SER 148 3.362 -8.488 -8.488 668 HA SER 148 HA SER 148 1.369 -10.455 -10.455 669 1HB SER 148 1HB SER 148 2.829 -10.412 -10.412 670 2HB SER 148 2HB SER 148 1.884 -9.038 -9.038 671 HG SER 148 HG SER 148 0.745 -10.617 -10.617 672 H PHE 149 H PHE 149 1.163 -7.218 -7.218 673 HA PHE 149 HA PHE 149 -0.650 -5.924 -5.924 674 1HB PHE 149 2HB PHE 149 -2.526 -7.855 -7.855 675 2HB PHE 149 1HB PHE 149 -2.840 -6.748 -6.748 676 HD1 PHE 149 HD2 PHE 149 -0.454 -7.446 -7.446 677 HD2 PHE 149 HD1 PHE 149 -3.257 -9.870 -9.870 678 HE1 PHE 149 HE2 PHE 149 -0.069 -9.270 -9.270 679 HE2 PHE 149 HE1 PHE 149 -2.878 -11.699 -11.699 680 HZ PHE 149 HZ PHE 149 -1.282 -11.400 -11.400 681 H CYS 150 H CYS 150 -2.540 -4.817 -4.817 682 HA CYS 150 HA CYS 150 -1.540 -4.313 -4.313 683 1HB CYS 150 2HB CYS 150 -1.651 -2.488 -2.488 684 2HB CYS 150 1HB CYS 150 -3.352 -2.417 -2.417 685 HG CYS 150 HG CYS 150 -2.781 -1.295 -1.295 686 H ALA 151 H ALA 151 -3.202 -3.568 -3.568 687 HA ALA 151 HA ALA 151 -5.923 -4.426 -4.426 688 1HB ALA 151 3HB ALA 151 -4.237 -6.359 -6.359 689 2HB ALA 151 2HB ALA 151 -4.847 -5.703 -5.703 690 3HB ALA 151 1HB ALA 151 -5.973 -6.320 -6.320 691 HA PRO 152 HA PRO 152 -5.825 -0.600 -0.600 692 1HB PRO 152 2HB PRO 152 -8.744 -1.064 -1.064 693 2HB PRO 152 1HB PRO 152 -7.804 0.420 0.420 694 1HG PRO 152 2HG PRO 152 -8.655 -0.976 -0.976 695 2HG PRO 152 1HG PRO 152 -7.086 -0.153 -0.153 696 1HD PRO 152 1HD PRO 152 -7.706 -3.049 -3.049 697 2HD PRO 152 2HD PRO 152 -6.287 -2.249 -2.249 698 H ASP 153 H ASP 153 -5.752 -0.607 -0.607 699 HA ASP 153 HA ASP 153 -6.147 -2.684 -2.684 700 1HB ASP 153 1HB ASP 153 -6.237 0.262 0.262 701 2HB ASP 153 2HB ASP 153 -6.821 -0.734 -0.734 702 H ARG 154 H ARG 154 -8.499 -0.062 -0.062 703 HA ARG 154 HA ARG 154 -10.733 -1.814 -1.814 704 1HB ARG 154 2HB ARG 154 -11.688 -1.241 -1.241 705 2HB ARG 154 1HB ARG 154 -10.518 -2.545 -2.545 706 1HG ARG 154 2HG ARG 154 -8.806 -0.607 -0.607 707 2HG ARG 154 1HG ARG 154 -10.232 0.134 0.134 708 1HD ARG 154 1HD ARG 154 -10.106 -2.609 -2.609 709 2HD ARG 154 2HD ARG 154 -8.542 -1.854 -1.854 710 HE ARG 154 HE ARG 154 -10.248 -0.067 -0.067 711 1HH1 ARG 154 1HH1 ARG 154 -9.983 -3.523 -3.523 712 2HH1 ARG 154 2HH1 ARG 154 -10.610 -3.533 -3.533 713 1HH2 ARG 154 2HH2 ARG 154 -11.074 -0.072 -0.072 714 2HH2 ARG 154 1HH2 ARG 154 -11.230 -1.572 -1.572 715 H ASN 155 H ASN 155 -9.567 0.821 0.821 716 HA ASN 155 HA ASN 155 -10.208 2.974 2.974 717 1HB ASN 155 2HB ASN 155 -11.666 1.563 1.563 718 2HB ASN 155 1HB ASN 155 -12.915 1.642 1.642 719 1HD2 ASN 155 2HD2 ASN 155 -14.240 4.412 4.412 720 2HD2 ASN 155 1HD2 ASN 155 -14.454 2.822 2.822 721 H HIS 156 H HIS 156 -10.285 2.263 2.263 722 HA HIS 156 HA HIS 156 -12.580 3.695 3.695 723 1HB HIS 156 1HB HIS 156 -11.474 1.618 1.618 724 2HB HIS 156 2HB HIS 156 -10.244 2.740 2.740 725 HD1 HIS 156 HD1 HIS 156 -12.913 4.866 4.866 726 HD2 HIS 156 HD2 HIS 156 -11.958 1.336 1.336 727 HE1 HIS 156 HE1 HIS 156 -14.172 4.915 4.915 728 H GLU 157 H GLU 157 -9.391 4.437 4.437 729 HA GLU 157 HA GLU 157 -9.829 7.161 7.161 730 1HB GLU 157 1HB GLU 157 -7.268 6.934 6.934 731 2HB GLU 157 2HB GLU 157 -8.731 7.103 7.103 732 1HG GLU 157 2HG GLU 157 -8.885 4.620 4.620 733 2HG GLU 157 1HG GLU 157 -7.308 4.556 4.556 734 H ARG 158 H ARG 158 -9.334 5.478 5.478 735 HA ARG 158 HA ARG 158 -8.337 5.765 5.765 736 1HB ARG 158 1HB ARG 158 -6.844 8.127 8.127 737 2HB ARG 158 2HB ARG 158 -7.351 7.837 7.837 738 1HG ARG 158 2HG ARG 158 -9.077 8.568 8.568 739 2HG ARG 158 1HG ARG 158 -8.765 9.519 9.519 740 1HD ARG 158 2HD ARG 158 -10.621 8.637 8.637 741 2HD ARG 158 1HD ARG 158 -9.744 7.111 7.111 742 HE ARG 158 HE ARG 158 -10.956 6.316 6.316 743 1HH1 ARG 158 1HH1 ARG 158 -11.420 9.756 9.756 744 2HH1 ARG 158 2HH1 ARG 158 -12.703 9.809 9.809 745 1HH2 ARG 158 1HH2 ARG 158 -12.644 6.373 6.373 746 2HH2 ARG 158 2HH2 ARG 158 -13.400 7.886 7.886 747 H GLY 159 H GLY 159 -7.226 3.929 3.929 748 1HA GLY 159 1HA GLY 159 -4.319 4.310 4.310 749 2HA GLY 159 2HA GLY 159 -5.060 3.255 3.255 750 H PHE 160 H PHE 160 -3.064 2.768 2.768 751 HA PHE 160 HA PHE 160 -4.370 0.385 0.385 752 1HB PHE 160 2HB PHE 160 -2.722 2.141 2.141 753 2HB PHE 160 1HB PHE 160 -3.795 0.818 0.818 754 HD1 PHE 160 HD2 PHE 160 -3.717 4.267 4.267 755 HD2 PHE 160 HD1 PHE 160 -6.053 1.215 1.215 756 HE1 PHE 160 HE2 PHE 160 -5.533 5.885 5.885 757 HE2 PHE 160 HE1 PHE 160 -7.874 2.827 2.827 758 HZ PHE 160 HZ PHE 160 -7.615 5.165 5.165 759 H SER 161 H SER 161 -2.559 -0.872 -0.872 760 HA SER 161 HA SER 161 0.133 -0.568 -0.568 761 1HB SER 161 2HB SER 161 -1.641 -2.272 -2.272 762 2HB SER 161 1HB SER 161 -0.032 -2.898 -2.898 763 HG SER 161 HG SER 161 0.742 -1.548 -1.548 764 H TYR 162 H TYR 162 1.435 -1.692 -1.692 765 HA TYR 162 HA TYR 162 0.202 -3.567 -3.567 766 1HB TYR 162 2HB TYR 162 2.927 -2.245 -2.245 767 2HB TYR 162 1HB TYR 162 2.344 -3.338 -3.338 768 HD1 TYR 162 HD2 TYR 162 0.365 -2.649 -2.649 769 HD2 TYR 162 HD1 TYR 162 2.381 0.045 0.045 770 HE1 TYR 162 HE2 TYR 162 -0.620 -0.750 -0.750 771 HE2 TYR 162 HE1 TYR 162 1.402 1.952 1.952 772 HH TYR 162 HH2 TYR 162 -1.105 1.945 1.945 773 H ILE 163 H ILE 163 2.155 -5.206 -5.206 774 HA ILE 163 HA ILE 163 3.678 -6.316 -6.316 775 HB ILE 163 HB ILE 163 2.351 -8.616 -8.616 776 1HG1 ILE 163 1HG1 ILE 163 0.181 -6.506 -6.506 777 2HG1 ILE 163 2HG1 ILE 163 0.599 -7.492 -7.492 778 1HG2 ILE 163 1HG2 ILE 163 3.018 -7.471 -7.471 779 2HG2 ILE 163 3HG2 ILE 163 1.468 -6.630 -6.630 780 3HG2 ILE 163 2HG2 ILE 163 1.514 -8.389 -8.389 781 1HD1 ILE 163 1HD1 ILE 163 0.164 -9.423 -9.423 782 2HD1 ILE 163 3HD1 ILE 163 -0.934 -8.180 -8.180 783 3HD1 ILE 163 2HD1 ILE 163 -1.085 -8.766 -8.766 784 H CYS 164 H CYS 164 5.275 -7.626 -7.626 785 HA CYS 164 HA CYS 164 5.032 -8.617 -8.617 786 1HB CYS 164 2HB CYS 164 7.176 -7.767 -7.767 787 2HB CYS 164 1HB CYS 164 6.253 -6.420 -6.420 788 HG CYS 164 HG CYS 164 7.990 -6.080 -6.080 789 H ARG 165 H ARG 165 5.599 -10.672 -10.672 790 HA ARG 165 HA ARG 165 6.684 -12.044 -12.044 791 1HB ARG 165 1HB ARG 165 6.531 -14.052 -14.052 792 2HB ARG 165 2HB ARG 165 5.019 -13.182 -13.182 793 1HG ARG 165 1HG ARG 165 6.413 -12.151 -12.151 794 2HG ARG 165 2HG ARG 165 6.276 -13.907 -13.907 795 1HD ARG 165 2HD ARG 165 4.055 -11.905 -11.905 796 2HD ARG 165 1HD ARG 165 4.346 -12.958 -12.958 797 HE ARG 165 HE ARG 165 2.955 -13.627 -13.627 798 1HH1 ARG 165 2HH1 ARG 165 5.018 -14.930 -14.930 799 2HH1 ARG 165 1HH1 ARG 165 4.437 -16.551 -16.551 800 1HH2 ARG 165 1HH2 ARG 165 2.182 -15.758 -15.758 801 2HH2 ARG 165 2HH2 ARG 165 2.823 -17.021 -17.021 802 H ASP 166 H ASP 166 8.747 -11.159 -11.159 803 HA ASP 166 HA ASP 166 10.986 -10.927 -10.927 804 1HB ASP 166 2HB ASP 166 10.963 -13.303 -13.303 805 2HB ASP 166 1HB ASP 166 10.529 -13.619 -13.619 806 H GLY 167 H GLY 167 10.748 -12.748 -12.748 807 1HA GLY 167 2HA GLY 167 11.240 -12.168 -12.168 808 2HA GLY 167 1HA GLY 167 10.506 -10.613 -10.613 809 H THR 168 H THR 168 11.846 -8.964 -8.964 810 HA THR 168 HA THR 168 14.730 -9.364 -9.364 811 HB THR 168 HB THR 168 14.184 -6.784 -6.784 812 HG1 THR 168 1HG THR 168 12.928 -7.262 -7.262 813 1HG2 THR 168 2HG2 THR 168 16.163 -8.159 -8.159 814 2HG2 THR 168 1HG2 THR 168 15.144 -9.226 -9.226 815 3HG2 THR 168 3HG2 THR 168 15.361 -7.543 -7.543 816 H THR 169 H THR 169 12.699 -8.936 -8.936 817 HA THR 169 HA THR 169 13.849 -6.499 -6.499 818 HB THR 169 HB THR 169 11.166 -7.647 -7.647 819 HG1 THR 169 1HG THR 169 10.980 -7.116 -7.116 820 1HG2 THR 169 1HG2 THR 169 12.537 -5.779 -5.779 821 2HG2 THR 169 3HG2 THR 169 11.721 -4.761 -4.761 822 3HG2 THR 169 2HG2 THR 169 10.775 -5.787 -5.787 823 H ARG 170 H ARG 170 14.645 -9.390 -9.390 824 HA ARG 170 HA ARG 170 15.816 -10.549 -10.549 825 1HB ARG 170 1HB ARG 170 14.338 -9.129 -9.129 826 2HB ARG 170 2HB ARG 170 15.911 -9.913 -9.913 827 1HG ARG 170 1HG ARG 170 16.388 -8.011 -8.011 828 2HG ARG 170 2HG ARG 170 15.180 -7.196 -7.196 829 1HD ARG 170 2HD ARG 170 17.330 -6.660 -6.660 830 2HD ARG 170 1HD ARG 170 16.553 -7.777 -7.777 831 HE ARG 170 HE ARG 170 18.109 -9.259 -9.259 832 1HH1 ARG 170 1HH1 ARG 170 18.494 -6.966 -6.966 833 2HH1 ARG 170 2HH1 ARG 170 20.044 -7.573 -7.573 834 1HH2 ARG 170 1HH2 ARG 170 20.149 -10.066 -10.066 835 2HH2 ARG 170 2HH2 ARG 170 20.986 -9.336 -9.336 836 H ARG 171 H ARG 171 12.681 -9.936 -9.936 837 HA ARG 171 HA ARG 171 11.861 -12.670 -12.670 838 1HB ARG 171 1HB ARG 171 11.480 -13.280 -13.280 839 2HB ARG 171 2HB ARG 171 13.146 -12.739 -12.739 840 1HG ARG 171 2HG ARG 171 12.819 -10.927 -10.927 841 2HG ARG 171 1HG ARG 171 11.157 -10.692 -10.692 842 1HD ARG 171 1HD ARG 171 10.886 -11.372 -11.372 843 2HD ARG 171 2HD ARG 171 10.674 -12.873 -12.873 844 HE ARG 171 HE ARG 171 13.302 -12.906 -12.906 845 1HH1 ARG 171 1HH1 ARG 171 10.477 -12.364 -12.364 846 2HH1 ARG 171 2HH1 ARG 171 11.190 -13.014 -13.014 847 1HH2 ARG 171 1HH2 ARG 171 14.253 -13.765 -13.765 848 2HH2 ARG 171 2HH2 ARG 171 13.337 -13.809 -13.809 849 H TRP 172 H TRP 172 9.682 -12.785 -12.785 850 HA TRP 172 HA TRP 172 7.706 -11.386 -11.386 851 1HB TRP 172 1HB TRP 172 7.438 -12.291 -12.291 852 2HB TRP 172 2HB TRP 172 6.169 -12.144 -12.144 853 HD1 TRP 172 HD1 TRP 172 6.866 -14.832 -14.832 854 HE1 TRP 172 HE1 TRP 172 7.338 -16.990 -16.990 855 HE3 TRP 172 HE3 TRP 172 8.102 -12.791 -12.791 856 HZ2 TRP 172 2HZ TRP 172 8.127 -17.736 -17.736 857 HZ3 TRP 172 HZ3 TRP 172 8.703 -14.307 -14.307 858 HH2 TRP 172 HH2 TRP 172 8.714 -16.726 -16.726 859 H MET 173 H MET 173 8.273 -9.233 -9.233 860 HA MET 173 HA MET 173 8.556 -7.701 -7.701 861 1HB MET 173 1HB MET 173 9.013 -6.910 -6.910 862 2HB MET 173 2HB MET 173 9.293 -5.866 -5.866 863 1HG MET 173 2HG MET 173 10.662 -8.365 -8.365 864 2HG MET 173 1HG MET 173 11.088 -7.631 -7.631 865 1HE MET 173 1HE MET 173 10.388 -6.809 -6.809 866 2HE MET 173 3HE MET 173 11.462 -5.455 -5.455 867 3HE MET 173 2HE MET 173 10.047 -5.210 -5.210 868 H CYS 174 H CYS 174 6.758 -6.965 -6.965 869 HA CYS 174 HA CYS 174 4.429 -6.348 -6.348 870 1HB CYS 174 2HB CYS 174 5.010 -6.825 -6.825 871 2HB CYS 174 1HB CYS 174 3.963 -5.428 -5.428 872 HG CYS 174 HG CYS 174 2.418 -7.467 -7.467 873 H HIS 175 H HIS 175 3.515 -4.267 -4.267 874 HA HIS 175 HA HIS 175 5.335 -2.059 -2.059 875 1HB HIS 175 2HB HIS 175 3.782 -2.367 -2.367 876 2HB HIS 175 1HB HIS 175 4.839 -1.021 -1.021 877 HD1 HIS 175 HD1 HIS 175 7.169 -1.230 -1.230 878 HD2 HIS 175 HD2 HIS 175 5.300 -4.918 -4.918 879 HE1 HIS 175 HE1 HIS 175 8.786 -2.949 -2.949 880 H GLY 176 H GLY 176 4.361 0.048 0.048 881 1HA GLY 176 1HA GLY 176 1.446 0.112 0.112 882 2HA GLY 176 2HA GLY 176 2.406 0.558 0.558 883 H PHE 177 H PHE 177 0.544 2.036 2.036 884 HA PHE 177 HA PHE 177 2.143 4.439 4.439 885 1HB PHE 177 2HB PHE 177 1.952 4.864 4.864 886 2HB PHE 177 1HB PHE 177 2.657 3.266 3.266 887 HD1 PHE 177 HD1 PHE 177 0.496 1.468 1.468 888 HD2 PHE 177 HD2 PHE 177 0.684 4.937 4.937 889 HE1 PHE 177 HE1 PHE 177 -1.228 0.518 0.518 890 HE2 PHE 177 HE2 PHE 177 -1.043 3.992 3.992 891 HZ PHE 177 HZ PHE 177 -2.000 1.777 1.777 892 H LEU 178 H LEU 178 0.893 5.896 5.896 893 HA LEU 178 HA LEU 178 -2.001 5.682 5.682 894 1HB LEU 178 2HB LEU 178 -0.333 6.387 6.387 895 2HB LEU 178 1HB LEU 178 -0.791 7.965 7.965 896 HG LEU 178 HG LEU 178 -2.255 7.341 7.341 897 1HD1 LEU 178 1HD1 LEU 178 -3.430 7.387 7.387 898 2HD1 LEU 178 3HD1 LEU 178 -4.464 7.258 7.258 899 3HD1 LEU 178 2HD1 LEU 178 -3.405 8.654 8.654 900 1HD2 LEU 178 3HD2 LEU 178 -2.527 4.810 4.810 901 2HD2 LEU 178 2HD2 LEU 178 -2.258 5.044 5.044 902 3HD2 LEU 178 1HD2 LEU 178 -3.850 5.350 5.350 903 H ALA 179 H ALA 179 -3.149 6.761 6.761 904 HA ALA 179 HA ALA 179 -2.205 8.311 8.311 905 1HB ALA 179 3HB ALA 179 -4.503 7.388 7.388 906 2HB ALA 179 2HB ALA 179 -4.908 8.711 8.711 907 3HB ALA 179 1HB ALA 179 -4.444 9.054 9.054 908 H CYS 180 H CYS 180 -1.642 10.372 10.372 909 HA CYS 180 HA CYS 180 -0.922 12.035 12.035 910 1HB CYS 180 2HB CYS 180 -0.567 11.978 11.978 911 2HB CYS 180 1HB CYS 180 -1.253 13.549 13.549 912 HG CYS 180 HG CYS 180 0.858 14.237 14.237 913 H LYS 181 H LYS 181 -3.317 12.774 12.774 914 HA LYS 181 HA LYS 181 -4.540 14.894 14.894 915 1HB LYS 181 1HB LYS 181 -6.028 13.031 13.031 916 2HB LYS 181 2HB LYS 181 -6.267 14.758 14.758 917 1HG LYS 181 1HG LYS 181 -3.592 14.323 14.323 918 2HG LYS 181 2HG LYS 181 -4.690 13.445 13.445 919 1HD LYS 181 1HD LYS 181 -4.919 15.412 15.412 920 2HD LYS 181 2HD LYS 181 -5.984 15.829 15.829 921 1HE LYS 181 1HE LYS 181 -4.618 17.573 17.573 922 2HE LYS 181 2HE LYS 181 -3.514 16.399 16.399 923 1HZ LYS 181 3HZ LYS 181 -3.498 16.981 16.981 924 2HZ LYS 181 2HZ LYS 181 -2.598 17.903 17.903 925 3HZ LYS 181 1HZ LYS 181 -2.291 16.247 16.247 926 H ASP 182 H ASP 182 -5.034 11.441 11.441 927 HA ASP 182 HA ASP 182 -6.171 10.140 10.140 928 1HB ASP 182 1HB ASP 182 -5.529 12.566 12.566 929 2HB ASP 182 2HB ASP 182 -7.018 11.830 11.830 930 H SER 183 H SER 183 -7.873 9.917 9.917 931 HA SER 183 HA SER 183 -10.418 10.507 10.507 932 1HB SER 183 2HB SER 183 -9.478 12.697 12.697 933 2HB SER 183 1HB SER 183 -10.208 11.872 11.872 934 HG SER 183 HG SER 183 -11.623 13.320 13.320 935 H GLY 184 H GLY 184 -8.857 8.282 8.282 936 1HA GLY 184 2HA GLY 184 -9.055 6.550 6.550 937 2HA GLY 184 1HA GLY 184 -10.743 6.682 6.682 938 H GLU 185 H GLU 185 -9.095 9.218 9.218 939 HA GLU 185 HA GLU 185 -10.384 8.368 8.368 940 1HB GLU 185 2HB GLU 185 -10.958 10.820 10.820 941 2HB GLU 185 1HB GLU 185 -10.826 11.018 11.018 942 1HG GLU 185 2HG GLU 185 -12.593 9.467 9.467 943 2HG GLU 185 1HG GLU 185 -12.629 9.005 9.005 944 H ARG 186 H ARG 186 -7.738 8.048 8.048 945 HA ARG 186 HA ARG 186 -6.593 9.720 9.720 946 1HB ARG 186 2HB ARG 186 -5.990 10.164 10.164 947 2HB ARG 186 1HB ARG 186 -4.592 10.077 10.077 948 1HG ARG 186 2HG ARG 186 -4.968 12.282 12.282 949 2HG ARG 186 1HG ARG 186 -6.142 11.751 11.751 950 1HD ARG 186 1HD ARG 186 -7.588 11.587 11.587 951 2HD ARG 186 2HD ARG 186 -6.559 12.982 12.982 952 HE ARG 186 HE ARG 186 -7.518 13.491 13.491 953 1HH1 ARG 186 1HH1 ARG 186 -9.043 12.609 12.609 954 2HH1 ARG 186 2HH1 ARG 186 -10.514 13.457 13.457 955 1HH2 ARG 186 1HH2 ARG 186 -9.449 14.609 14.609 956 2HH2 ARG 186 2HH2 ARG 186 -10.743 14.594 14.594 957 H LEU 187 H LEU 187 -6.006 7.327 7.327 958 HA LEU 187 HA LEU 187 -4.130 5.972 5.972 959 1HB LEU 187 1HB LEU 187 -4.215 6.198 6.198 960 2HB LEU 187 2HB LEU 187 -3.420 4.829 4.829 961 HG LEU 187 HG LEU 187 -1.799 6.224 6.224 962 1HD1 LEU 187 3HD1 LEU 187 -3.602 8.485 8.485 963 2HD1 LEU 187 2HD1 LEU 187 -1.917 8.734 8.734 964 3HD1 LEU 187 1HD1 LEU 187 -3.054 8.045 8.045 965 1HD2 LEU 187 1HD2 LEU 187 -2.030 6.007 6.007 966 2HD2 LEU 187 3HD2 LEU 187 -0.615 6.607 6.607 967 3HD2 LEU 187 2HD2 LEU 187 -1.806 7.741 7.741 968 H SER 188 H SER 188 -6.824 5.550 5.550 969 HA SER 188 HA SER 188 -7.055 2.775 2.775 970 1HB SER 188 1HB SER 188 -8.358 4.519 4.519 971 2HB SER 188 2HB SER 188 -9.470 4.570 4.570 972 HG SER 188 HG SER 188 -9.971 2.457 2.457 973 H HIS 189 H HIS 189 -8.906 5.126 5.126 974 HA HIS 189 HA HIS 189 -9.852 3.090 3.090 975 1HB HIS 189 2HB HIS 189 -10.786 5.536 5.536 976 2HB HIS 189 1HB HIS 189 -9.963 5.926 5.926 977 HD1 HIS 189 HD1 HIS 189 -12.822 3.852 3.852 978 HD2 HIS 189 HD2 HIS 189 -11.185 5.051 5.051 979 HE1 HIS 189 HE1 HIS 189 -14.494 3.201 3.201 980 H ALA 190 H ALA 190 -7.129 5.237 5.237 981 HA ALA 190 HA ALA 190 -6.483 5.197 5.197 982 1HB ALA 190 1HB ALA 190 -4.783 5.707 5.707 983 2HB ALA 190 3HB ALA 190 -4.215 5.901 5.901 984 3HB ALA 190 2HB ALA 190 -5.539 6.901 6.901 985 H VAL 191 H VAL 191 -4.768 3.550 3.550 986 HA VAL 191 HA VAL 191 -3.486 1.728 1.728 987 HB VAL 191 HB VAL 191 -3.739 1.040 1.040 988 1HG1 VAL 191 1HG2 VAL 191 -2.031 0.421 0.421 989 2HG1 VAL 191 3HG2 VAL 191 -1.087 1.005 1.005 990 3HG1 VAL 191 2HG2 VAL 191 -2.164 -0.377 -0.377 991 1HG2 VAL 191 3HG1 VAL 191 -2.777 3.609 3.609 992 2HG2 VAL 191 2HG1 VAL 191 -3.116 3.075 3.075 993 3HG2 VAL 191 1HG1 VAL 191 -1.554 2.722 2.722 994 H GLY 192 H GLY 192 -6.454 1.706 1.706 995 1HA GLY 192 1HA GLY 192 -7.045 -1.019 -1.019 996 2HA GLY 192 2HA GLY 192 -8.244 0.261 0.261 997 H CYS 193 H CYS 193 -7.017 1.227 1.227 998 HA CYS 193 HA CYS 193 -8.215 -0.729 -0.729 999 1HB CYS 193 2HB CYS 193 -9.038 1.571 1.571 1000 2HB CYS 193 1HB CYS 193 -7.399 2.153 2.153 1001 HG CYS 193 HG CYS 193 -8.875 1.813 1.813 1002 H ALA 194 H ALA 194 -5.189 0.615 0.615 1003 HA ALA 194 HA ALA 194 -3.551 0.362 0.362 1004 1HB ALA 194 1HB ALA 194 -2.978 -0.339 -0.339 1005 2HB ALA 194 3HB ALA 194 -1.742 -0.205 -0.205 1006 3HB ALA 194 2HB ALA 194 -2.705 1.203 1.203 1007 H PHE 195 H PHE 195 -4.783 -2.206 -2.206 1008 HA PHE 195 HA PHE 195 -3.307 -4.277 -4.277 1009 1HB PHE 195 1HB PHE 195 -5.658 -4.546 -4.546 1010 2HB PHE 195 2HB PHE 195 -4.522 -5.814 -5.814 1011 HD1 PHE 195 HD2 PHE 195 -2.157 -5.664 -5.664 1012 HD2 PHE 195 HD1 PHE 195 -5.168 -3.018 -3.018 1013 HE1 PHE 195 HE2 PHE 195 -0.715 -5.052 -5.052 1014 HE2 PHE 195 HE1 PHE 195 -3.732 -2.402 -2.402 1015 HZ PHE 195 HZ PHE 195 -1.502 -3.421 -3.421 1016 H ALA 196 H ALA 196 -6.386 -2.720 -2.720 1017 HA ALA 196 HA ALA 196 -7.966 -4.516 -4.516 1018 1HB ALA 196 1HB ALA 196 -8.453 -2.088 -2.088 1019 2HB ALA 196 3HB ALA 196 -7.750 -1.669 -1.669 1020 3HB ALA 196 2HB ALA 196 -9.178 -2.701 -2.701 1021 H VAL 197 H VAL 197 -5.383 -2.520 -2.520 1022 HA VAL 197 HA VAL 197 -5.759 -3.372 -3.372 1023 HB VAL 197 HB VAL 197 -3.238 -2.310 -2.310 1024 1HG1 VAL 197 3HG2 VAL 197 -3.456 -3.468 -3.468 1025 2HG1 VAL 197 2HG2 VAL 197 -3.796 -1.784 -1.784 1026 3HG1 VAL 197 1HG2 VAL 197 -2.285 -2.215 -2.215 1027 1HG2 VAL 197 2HG1 VAL 197 -5.756 -1.044 -1.044 1028 2HG2 VAL 197 1HG1 VAL 197 -4.364 -0.401 -0.401 1029 3HG2 VAL 197 3HG1 VAL 197 -4.419 -0.315 -0.315 1030 H CYS 198 H CYS 198 -4.017 -4.677 -4.677 1031 HA CYS 198 HA CYS 198 -2.371 -6.495 -6.495 1032 1HB CYS 198 1HB CYS 198 -2.224 -5.725 -5.725 1033 2HB CYS 198 2HB CYS 198 -3.402 -6.996 -6.996 1034 HG CYS 198 HG CYS 198 -0.994 -8.097 -8.097 1035 H LEU 199 H LEU 199 -5.362 -7.077 -7.077 1036 HA LEU 199 HA LEU 199 -5.876 -9.389 -9.389 1037 1HB LEU 199 1HB LEU 199 -7.022 -10.471 -10.471 1038 2HB LEU 199 2HB LEU 199 -5.380 -10.072 -10.072 1039 HG LEU 199 HG LEU 199 -7.711 -8.322 -8.322 1040 1HD1 LEU 199 1HD2 LEU 199 -7.265 -10.961 -10.961 1041 2HD1 LEU 199 3HD2 LEU 199 -6.760 -9.890 -9.890 1042 3HD1 LEU 199 2HD2 LEU 199 -8.392 -9.772 -9.772 1043 1HD2 LEU 199 1HD1 LEU 199 -4.848 -8.272 -8.272 1044 2HD2 LEU 199 3HD1 LEU 199 -6.054 -7.023 -7.023 1045 3HD2 LEU 199 2HD1 LEU 199 -5.722 -8.250 -8.250 1046 H GLU 200 H GLU 200 -6.691 -7.091 -7.091 1047 HA GLU 200 HA GLU 200 -9.066 -5.937 -5.937 1048 1HB GLU 200 2HB GLU 200 -7.441 -5.465 -5.465 1049 2HB GLU 200 1HB GLU 200 -8.596 -6.452 -6.452 1050 1HG GLU 200 2HG GLU 200 -9.919 -4.445 -4.445 1051 2HG GLU 200 1HG GLU 200 -8.755 -3.732 -3.732 1052 H ARG 201 H ARG 201 -8.539 -8.990 -8.990 1053 HA ARG 201 HA ARG 201 -11.411 -9.397 -9.397 1054 1HB ARG 201 2HB ARG 201 -9.303 -11.429 -11.429 1055 2HB ARG 201 1HB ARG 201 -10.892 -11.212 -11.212 1056 1HG ARG 201 2HG ARG 201 -9.601 -8.830 -8.830 1057 2HG ARG 201 1HG ARG 201 -8.343 -10.052 -10.052 1058 1HD ARG 201 1HD ARG 201 -9.187 -10.294 -10.294 1059 2HD ARG 201 2HD ARG 201 -10.454 -11.223 -11.223 1060 HE ARG 201 HE ARG 201 -11.930 -9.507 -9.507 1061 1HH1 ARG 201 1HH2 ARG 201 -8.681 -8.424 -8.424 1062 2HH1 ARG 201 2HH2 ARG 201 -9.179 -6.933 -6.933 1063 1HH2 ARG 201 1HH1 ARG 201 -11.407 -6.433 -6.433 1064 2HH2 ARG 201 2HH1 ARG 201 -12.598 -7.546 -7.546 1065 H LYS 202 H LYS 202 -9.927 -9.323 -9.323 1066 HA LYS 202 HA LYS 202 -9.831 -10.447 -10.447 1067 1HB LYS 202 2HB LYS 202 -12.356 -11.659 -11.659 1068 2HB LYS 202 1HB LYS 202 -11.862 -11.779 -11.779 1069 1HG LYS 202 1HG LYS 202 -12.505 -9.235 -9.235 1070 2HG LYS 202 2HG LYS 202 -13.538 -10.047 -10.047 1071 1HD LYS 202 1HD LYS 202 -11.394 -9.804 -9.804 1072 2HD LYS 202 2HD LYS 202 -11.048 -8.472 -8.472 1073 1HE LYS 202 1HE LYS 202 -13.533 -8.836 -8.836 1074 2HE LYS 202 2HE LYS 202 -12.257 -7.645 -7.645 1075 1HZ LYS 202 2HZ LYS 202 -13.574 -7.652 -7.652 1076 2HZ LYS 202 1HZ LYS 202 -14.474 -7.079 -7.079 1077 3HZ LYS 202 3HZ LYS 202 -12.999 -6.353 -6.353 1078 H GLN 203 H GLN 203 -8.133 -11.528 -11.528 1079 HA GLN 203 HA GLN 203 -8.375 -14.285 -14.285 1080 1HB GLN 203 1HB GLN 203 -6.584 -12.434 -12.434 1081 2HB GLN 203 2HB GLN 203 -5.675 -13.176 -13.176 1082 1HG GLN 203 2HG GLN 203 -6.215 -15.401 -15.401 1083 2HG GLN 203 1HG GLN 203 -6.644 -14.409 -14.409 1084 1HE2 GLN 203 1HE2 GLN 203 -2.816 -15.233 -15.233 1085 2HE2 GLN 203 2HE2 GLN 203 -4.151 -15.910 -15.910 1086 H ARG 204 H ARG 204 -7.812 -12.545 -12.545 1087 HA ARG 204 HA ARG 204 -6.238 -14.153 -14.153 1088 1HB ARG 204 2HB ARG 204 -8.294 -12.174 -12.174 1089 2HB ARG 204 1HB ARG 204 -8.317 -13.427 -13.427 1090 1HG ARG 204 1HG ARG 204 -6.870 -11.323 -11.323 1091 2HG ARG 204 2HG ARG 204 -6.211 -12.906 -12.906 1092 1HD ARG 204 2HD ARG 204 -4.646 -12.826 -12.826 1093 2HD ARG 204 1HD ARG 204 -5.711 -12.002 -12.002 1094 HE ARG 204 HE ARG 204 -4.955 -10.270 -10.270 1095 1HH1 ARG 204 2HH1 ARG 204 -3.761 -11.741 -11.741 1096 2HH1 ARG 204 1HH1 ARG 204 -2.620 -10.478 -10.478 1097 1HH2 ARG 204 1HH2 ARG 204 -3.458 -8.603 -8.603 1098 2HH2 ARG 204 2HH2 ARG 204 -2.447 -8.694 -8.694 1099 H ARG 205 H ARG 205 -6.350 -16.160 -16.160 1100 HA ARG 205 HA ARG 205 -8.861 -17.638 -17.638 1101 1HB ARG 205 2HB ARG 205 -6.023 -18.325 -18.325 1102 2HB ARG 205 1HB ARG 205 -6.951 -19.502 -19.502 1103 1HG ARG 205 1HG ARG 205 -8.606 -19.328 -19.328 1104 2HG ARG 205 2HG ARG 205 -7.179 -18.726 -18.726 1105 1HD ARG 205 1HD ARG 205 -6.180 -20.741 -20.741 1106 2HD ARG 205 2HD ARG 205 -6.735 -21.140 -21.140 1107 HE ARG 205 HE ARG 205 -7.899 -21.997 -21.997 1108 1HH1 ARG 205 2HH2 ARG 205 -8.774 -20.820 -20.820 1109 2HH1 ARG 205 1HH2 ARG 205 -10.295 -21.648 -21.648 1110 1HH2 ARG 205 2HH1 ARG 205 -9.900 -23.093 -23.093 1111 2HH2 ARG 205 1HH1 ARG 205 -10.935 -22.941 -22.941 1112 H THR 206 H THR 206 -9.799 -16.709 -16.709 1113 HA THR 206 HA THR 206 -8.685 -17.797 -17.797 1114 HB THR 206 HB THR 206 -8.626 -15.476 -15.476 1115 HG1 THR 206 1HG THR 206 -9.675 -15.722 -15.722 1116 1HG2 THR 206 1HG2 THR 206 -11.218 -15.397 -15.397 1117 2HG2 THR 206 3HG2 THR 206 -10.677 -14.051 -14.051 1118 3HG2 THR 206 2HG2 THR 206 -9.699 -14.579 -14.579 1119 H ARG 207 H ARG 207 -11.642 -17.197 -17.197 1120 HA ARG 207 HA ARG 207 -13.152 -18.866 -18.866 1121 1HB ARG 207 1HB ARG 207 -14.316 -17.407 -17.407 1122 2HB ARG 207 2HB ARG 207 -15.122 -17.928 -17.928 1123 1HG ARG 207 2HG ARG 207 -13.501 -16.260 -16.260 1124 2HG ARG 207 1HG ARG 207 -13.351 -15.571 -15.571 1125 1HD ARG 207 1HD ARG 207 -15.788 -15.795 -15.795 1126 2HD ARG 207 2HD ARG 207 -15.084 -14.356 -14.356 1127 HE ARG 207 HE ARG 207 -15.821 -15.972 -15.972 1128 1HH1 ARG 207 1HH1 ARG 207 -17.417 -14.459 -14.459 1129 2HH1 ARG 207 2HH1 ARG 207 -18.932 -14.291 -14.291 1130 1HH2 ARG 207 2HH2 ARG 207 -17.811 -15.754 -15.754 1131 2HH2 ARG 207 1HH2 ARG 207 -19.156 -15.027 -15.027 1132 H ALA 208 H ALA 208 -15.093 -19.936 -19.936 1133 HA ALA 208 HA ALA 208 -13.799 -22.152 -22.152 1134 1HB ALA 208 1HB ALA 208 -16.064 -22.105 -22.105 1135 2HB ALA 208 3HB ALA 208 -16.704 -21.478 -21.478 1136 3HB ALA 208 2HB ALA 208 -15.936 -23.065 -23.065 1137 H ALA 209 H ALA 209 -15.789 -19.520 -19.520 1138 HA ALA 209 HA ALA 209 -15.808 -18.542 -18.542 1139 1HB ALA 209 1HB ALA 209 -13.243 -18.848 -18.848 1140 2HB ALA 209 3HB ALA 209 -13.412 -20.086 -20.086 1141 3HB ALA 209 2HB ALA 209 -13.866 -18.418 -18.418 1142 H ALA 210 H ALA 210 -17.594 -19.335 -19.335 1143 HA ALA 210 HA ALA 210 -18.860 -20.511 -20.511 1144 1HB ALA 210 3HB ALA 210 -16.784 -20.358 -20.358 1145 2HB ALA 210 2HB ALA 210 -16.345 -21.957 -21.957 1146 3HB ALA 210 1HB ALA 210 -17.819 -21.743 -21.743 1147 1H ALA 1 2HT ALA 1 -13.933 -6.238 -6.238 1148 2H ALA 1 1HT ALA 1 -12.283 -6.566 -6.566 1149 3H ALA 1 3HT ALA 1 -13.268 -5.819 -5.819 1150 HA ALA 1 HA ALA 1 -13.379 -3.852 -3.852 1151 1HB ALA 1 3HB ALA 1 -11.058 -4.719 -4.719 1152 2HB ALA 1 2HB ALA 1 -10.597 -4.545 -4.545 1153 3HB ALA 1 1HB ALA 1 -11.217 -3.156 -3.156 1154 H TYR 2 H TYR 2 -11.264 -5.771 -5.771 1155 HA TYR 2 HA TYR 2 -12.980 -5.451 -5.451 1156 1HB TYR 2 1HB TYR 2 -10.803 -4.227 -4.227 1157 2HB TYR 2 2HB TYR 2 -12.283 -3.418 -3.418 1158 HD1 TYR 2 HD2 TYR 2 -9.580 -4.734 -4.734 1159 HD2 TYR 2 HD1 TYR 2 -11.506 -1.296 -1.296 1160 HE1 TYR 2 HE2 TYR 2 -8.281 -3.300 -3.300 1161 HE2 TYR 2 HE1 TYR 2 -10.213 0.144 0.144 1162 HH TYR 2 HH2 TYR 2 -7.533 -0.987 -0.987 1163 H ILE 3 H ILE 3 -9.465 -5.372 -5.372 1164 HA ILE 3 HA ILE 3 -9.575 -8.152 -8.152 1165 HB ILE 3 HB ILE 3 -7.256 -6.373 -6.373 1166 1HG1 ILE 3 2HG1 ILE 3 -9.091 -4.954 -4.954 1167 2HG1 ILE 3 1HG1 ILE 3 -8.440 -5.680 -5.680 1168 1HG2 ILE 3 3HG2 ILE 3 -8.553 -8.792 -8.792 1169 2HG2 ILE 3 2HG2 ILE 3 -7.561 -7.753 -7.753 1170 3HG2 ILE 3 1HG2 ILE 3 -6.860 -8.509 -8.509 1171 1HD1 ILE 3 2HD1 ILE 3 -10.719 -7.022 -7.022 1172 2HD1 ILE 3 1HD1 ILE 3 -11.020 -5.547 -5.547 1173 3HD1 ILE 3 3HD1 ILE 3 -10.298 -6.948 -6.948 1174 H GLY 4 H GLY 4 -7.406 -5.873 -5.873 1175 1HA GLY 4 2HA GLY 4 -5.495 -7.652 -7.652 1176 2HA GLY 4 1HA GLY 4 -5.972 -6.205 -6.205 1177 HA PRO 5 HA PRO 5 -7.678 -8.649 -8.649 1178 1HB PRO 5 2HB PRO 5 -10.107 -6.992 -6.992 1179 2HB PRO 5 1HB PRO 5 -8.821 -7.165 -7.165 1180 1HG PRO 5 1HG PRO 5 -9.116 -4.915 -4.915 1181 2HG PRO 5 2HG PRO 5 -7.513 -5.529 -5.529 1182 1HD PRO 5 2HD PRO 5 -8.963 -5.757 -5.757 1183 2HD PRO 5 1HD PRO 5 -7.256 -5.369 -5.369 1184 1HN PTR 6 H PTR 6 -8.261 -9.963 -9.963 1185 HA PTR 6 HA PTR 6 -10.373 -11.619 -11.619 1186 1HB PTR 6 1HB PTR 6 -11.179 -9.794 -9.794 1187 2HB PTR 6 2HB PTR 6 -11.725 -9.551 -9.551 1188 HD1 PTR 6 HD1 PTR 6 -11.623 -12.954 -12.954 1189 HD2 PTR 6 HD2 PTR 6 -13.695 -9.903 -9.903 1190 HE1 PTR 6 HE1 PTR 6 -13.693 -14.279 -14.279 1191 HE2 PTR 6 HE2 PTR 6 -15.844 -10.996 -10.996 1192 H LEU 7 H LEU 7 -9.466 -10.186 -10.186 1193 HA LEU 7 HA LEU 7 -8.880 -12.863 -12.863 1194 1HB LEU 7 2HB LEU 7 -8.608 -10.536 -10.536 1195 2HB LEU 7 1HB LEU 7 -9.367 -12.089 -12.089 1196 HG LEU 7 HG LEU 7 -10.589 -9.783 -9.783 1197 1HD1 LEU 7 2HD1 LEU 7 -11.179 -10.929 -10.929 1198 2HD1 LEU 7 1HD1 LEU 7 -12.155 -9.713 -9.713 1199 3HD1 LEU 7 3HD1 LEU 7 -10.497 -9.341 -9.341 1200 1HD2 LEU 7 1HD2 LEU 7 -11.179 -12.155 -12.155 1201 2HD2 LEU 7 3HD2 LEU 7 -12.512 -11.082 -11.082 1202 3HD2 LEU 7 2HD2 LEU 7 -11.969 -12.312 -12.312 Start of MODEL 2 1 HA SER 64 HA SER 64 -18.054 9.558 9.558 2 1HB SER 64 2HB SER 64 -18.721 7.708 7.708 3 2HB SER 64 1HB SER 64 -20.204 8.118 8.118 4 HG SER 64 HG SER 64 -20.316 7.746 7.746 5 H LYS 65 H LYS 65 -16.590 9.543 9.543 6 HA LYS 65 HA LYS 65 -15.385 10.648 10.648 7 1HB LYS 65 2HB LYS 65 -18.046 10.049 10.049 8 2HB LYS 65 1HB LYS 65 -17.054 11.186 11.186 9 1HG LYS 65 2HG LYS 65 -15.210 9.352 9.352 10 2HG LYS 65 1HG LYS 65 -16.606 8.298 8.298 11 1HD LYS 65 2HD LYS 65 -17.405 9.606 9.606 12 2HD LYS 65 1HD LYS 65 -15.657 9.687 9.687 13 1HE LYS 65 2HE LYS 65 -15.797 7.639 7.639 14 2HE LYS 65 1HE LYS 65 -16.098 7.072 7.072 15 1HZ LYS 65 3HZ LYS 65 -18.196 7.890 7.890 16 2HZ LYS 65 2HZ LYS 65 -17.781 6.292 6.292 17 3HZ LYS 65 1HZ LYS 65 -18.461 7.288 7.288 18 HA PRO 66 HA PRO 66 -16.928 14.835 14.835 19 1HB PRO 66 1HB PRO 66 -14.338 15.663 15.663 20 2HB PRO 66 2HB PRO 66 -15.450 14.984 14.984 21 1HG PRO 66 1HG PRO 66 -13.259 13.644 13.644 22 2HG PRO 66 2HG PRO 66 -13.732 13.436 13.436 23 1HD PRO 66 2HD PRO 66 -14.419 11.636 11.636 24 2HD PRO 66 1HD PRO 66 -15.534 12.068 12.068 25 H HIS 67 H HIS 67 -13.631 14.889 14.889 26 HA HIS 67 HA HIS 67 -14.487 15.802 15.802 27 1HB HIS 67 2HB HIS 67 -14.141 17.740 17.740 28 2HB HIS 67 1HB HIS 67 -12.586 17.724 17.724 29 HD1 HIS 67 HD1 HIS 67 -15.673 19.429 19.429 30 HD2 HIS 67 HD2 HIS 67 -13.134 17.751 17.751 31 HE1 HIS 67 HE1 HIS 67 -16.241 20.530 20.530 32 H GLN 68 H GLN 68 -11.541 16.200 16.200 33 HA GLN 68 HA GLN 68 -9.752 15.513 15.513 34 1HB GLN 68 2HB GLN 68 -9.622 15.730 15.730 35 2HB GLN 68 1HB GLN 68 -8.347 14.802 14.802 36 1HG GLN 68 1HG GLN 68 -7.346 16.629 16.629 37 2HG GLN 68 2HG GLN 68 -8.869 17.348 17.348 38 1HE2 GLN 68 2HE2 GLN 68 -7.149 19.219 19.219 39 2HE2 GLN 68 1HE2 GLN 68 -6.511 18.475 18.475 40 H TRP 69 H TRP 69 -11.746 13.555 13.555 41 HA TRP 69 HA TRP 69 -10.308 11.132 11.132 42 1HB TRP 69 1HB TRP 69 -12.871 12.035 12.035 43 2HB TRP 69 2HB TRP 69 -13.036 10.486 10.486 44 HD1 TRP 69 HD1 TRP 69 -9.964 11.501 11.501 45 HE1 TRP 69 HE1 TRP 69 -9.752 9.855 9.855 46 HE3 TRP 69 HE3 TRP 69 -14.278 8.844 8.844 47 HZ2 TRP 69 2HZ TRP 69 -11.218 7.714 7.714 48 HZ3 TRP 69 HZ3 TRP 69 -14.798 7.013 7.013 49 HH2 TRP 69 HH2 TRP 69 -13.299 6.462 6.462 50 H GLN 70 H GLN 70 -12.491 12.741 12.741 51 HA GLN 70 HA GLN 70 -13.179 10.540 10.540 52 1HB GLN 70 1HB GLN 70 -14.016 12.103 12.103 53 2HB GLN 70 2HB GLN 70 -14.208 12.880 12.880 54 1HG GLN 70 1HG GLN 70 -11.834 13.877 13.877 55 2HG GLN 70 2HG GLN 70 -12.417 13.569 13.569 56 1HE2 GLN 70 1HE2 GLN 70 -14.099 16.569 16.569 57 2HE2 GLN 70 2HE2 GLN 70 -13.092 15.406 15.406 58 H ALA 71 H ALA 71 -10.396 12.663 12.663 59 HA ALA 71 HA ALA 71 -9.303 11.645 11.645 60 1HB ALA 71 2HB ALA 71 -8.361 13.570 13.570 61 2HB ALA 71 1HB ALA 71 -7.240 12.944 12.944 62 3HB ALA 71 3HB ALA 71 -8.671 13.841 13.841 63 H ASP 72 H ASP 72 -8.419 11.415 11.415 64 HA ASP 72 HA ASP 72 -6.251 9.687 9.687 65 1HB ASP 72 2HB ASP 72 -8.162 9.979 9.979 66 2HB ASP 72 1HB ASP 72 -6.631 9.109 9.109 67 H GLU 73 H GLU 73 -9.689 8.988 8.988 68 HA GLU 73 HA GLU 73 -9.603 6.255 6.255 69 1HB GLU 73 2HB GLU 73 -11.640 7.761 7.761 70 2HB GLU 73 1HB GLU 73 -11.649 7.656 7.656 71 1HG GLU 73 1HG GLU 73 -11.505 5.021 5.021 72 2HG GLU 73 2HG GLU 73 -12.631 5.790 5.790 73 H GLU 74 H GLU 74 -9.310 8.103 8.103 74 HA GLU 74 HA GLU 74 -9.222 5.711 5.711 75 1HB GLU 74 1HB GLU 74 -8.882 8.642 8.642 76 2HB GLU 74 2HB GLU 74 -8.788 7.357 7.357 77 1HG GLU 74 2HG GLU 74 -11.095 6.705 6.705 78 2HG GLU 74 1HG GLU 74 -11.180 8.053 8.053 79 H ALA 75 H ALA 75 -7.017 7.979 7.979 80 HA ALA 75 HA ALA 75 -4.717 7.570 7.570 81 1HB ALA 75 1HB ALA 75 -5.265 8.352 8.352 82 2HB ALA 75 3HB ALA 75 -3.618 7.870 7.870 83 3HB ALA 75 2HB ALA 75 -4.382 9.206 9.206 84 H VAL 76 H VAL 76 -5.651 5.828 5.828 85 HA VAL 76 HA VAL 76 -3.643 3.974 3.974 86 HB VAL 76 HB VAL 76 -5.514 2.422 2.422 87 1HG1 VAL 76 2HG2 VAL 76 -3.764 3.797 3.797 88 2HG1 VAL 76 1HG2 VAL 76 -5.041 4.989 4.989 89 3HG1 VAL 76 3HG2 VAL 76 -5.215 3.361 3.361 90 1HG2 VAL 76 1HG1 VAL 76 -7.209 4.173 4.173 91 2HG2 VAL 76 3HG1 VAL 76 -7.593 3.229 3.229 92 3HG2 VAL 76 2HG1 VAL 76 -7.039 4.893 4.893 93 H ARG 77 H ARG 77 -6.572 3.917 3.917 94 HA ARG 77 HA ARG 77 -6.422 1.305 1.305 95 1HB ARG 77 1HB ARG 77 -8.140 3.342 3.342 96 2HB ARG 77 2HB ARG 77 -7.254 3.421 3.421 97 1HG ARG 77 1HG ARG 77 -8.919 1.995 1.995 98 2HG ARG 77 2HG ARG 77 -7.732 0.828 0.828 99 1HD ARG 77 2HD ARG 77 -9.302 0.064 0.064 100 2HD ARG 77 1HD ARG 77 -9.147 1.576 1.576 101 HE ARG 77 HE ARG 77 -11.199 2.184 2.184 102 1HH1 ARG 77 1HH1 ARG 77 -9.914 -0.302 -0.302 103 2HH1 ARG 77 2HH1 ARG 77 -11.358 -0.442 -0.442 104 1HH2 ARG 77 1HH2 ARG 77 -13.107 2.007 2.007 105 2HH2 ARG 77 2HH2 ARG 77 -13.174 0.870 0.870 106 H SER 78 H SER 78 -5.047 4.295 4.295 107 HA SER 78 HA SER 78 -3.500 2.734 2.734 108 1HB SER 78 1HB SER 78 -4.759 5.105 5.105 109 2HB SER 78 2HB SER 78 -3.149 5.675 5.675 110 HG SER 78 HG SER 78 -2.329 4.812 4.812 111 H ALA 79 H ALA 79 -3.005 2.890 2.890 112 HA ALA 79 HA ALA 79 -1.265 3.087 3.087 113 1HB ALA 79 3HB ALA 79 0.138 2.338 2.338 114 2HB ALA 79 2HB ALA 79 0.967 2.440 2.440 115 3HB ALA 79 1HB ALA 79 -0.349 1.287 1.287 116 H THR 80 H THR 80 -1.439 5.278 5.278 117 HA THR 80 HA THR 80 0.830 6.850 6.850 118 HB THR 80 HB THR 80 0.218 7.244 7.244 119 HG1 THR 80 1HG THR 80 0.720 9.205 9.205 120 1HG2 THR 80 1HG2 THR 80 -2.508 7.092 7.092 121 2HG2 THR 80 3HG2 THR 80 -2.242 8.434 8.434 122 3HG2 THR 80 2HG2 THR 80 -1.857 6.785 6.785 123 H CYS 81 H CYS 81 -0.667 6.138 6.138 124 HA CYS 81 HA CYS 81 -1.967 8.661 8.661 125 1HB CYS 81 2HB CYS 81 -2.748 5.904 5.904 126 2HB CYS 81 1HB CYS 81 -2.563 6.683 6.683 127 HG CYS 81 HG CYS 81 -4.445 8.294 8.294 128 H SER 82 H SER 82 -1.707 9.261 9.261 129 HA SER 82 HA SER 82 0.340 8.171 8.171 130 1HB SER 82 1HB SER 82 1.789 9.142 9.142 131 2HB SER 82 2HB SER 82 1.085 10.728 10.728 132 HG SER 82 HG SER 82 2.346 9.197 9.197 133 H PHE 83 H PHE 83 0.615 9.305 9.305 134 HA PHE 83 HA PHE 83 -0.859 11.723 11.723 135 1HB PHE 83 1HB PHE 83 -1.807 9.125 9.125 136 2HB PHE 83 2HB PHE 83 -2.374 10.726 10.726 137 HD1 PHE 83 HD1 PHE 83 -2.463 8.126 8.126 138 HD2 PHE 83 HD2 PHE 83 -3.886 11.967 11.967 139 HE1 PHE 83 HE1 PHE 83 -4.206 7.997 7.997 140 HE2 PHE 83 HE2 PHE 83 -5.632 11.845 11.845 141 HZ PHE 83 HZ PHE 83 -5.792 9.858 9.858 142 H SER 84 H SER 84 -0.187 12.751 12.751 143 HA SER 84 HA SER 84 2.266 12.037 12.037 144 1HB SER 84 2HB SER 84 0.831 14.302 14.302 145 2HB SER 84 1HB SER 84 0.410 13.713 13.713 146 HG SER 84 HG SER 84 2.629 14.938 14.938 147 H VAL 85 H VAL 85 2.786 11.242 11.242 148 HA VAL 85 HA VAL 85 0.636 10.045 10.045 149 HB VAL 85 HB VAL 85 2.831 8.153 8.153 150 1HG1 VAL 85 2HG1 VAL 85 0.057 8.100 8.100 151 2HG1 VAL 85 1HG1 VAL 85 0.531 6.759 6.759 152 3HG1 VAL 85 3HG1 VAL 85 1.437 7.091 7.091 153 1HG2 VAL 85 2HG2 VAL 85 0.650 8.853 8.853 154 2HG2 VAL 85 1HG2 VAL 85 2.391 8.787 8.787 155 3HG2 VAL 85 3HG2 VAL 85 1.482 7.298 7.298 156 H LYS 86 H LYS 86 1.560 8.794 8.794 157 HA LYS 86 HA LYS 86 4.044 10.018 10.018 158 1HB LYS 86 2HB LYS 86 1.345 9.880 9.880 159 2HB LYS 86 1HB LYS 86 2.756 9.732 9.732 160 1HG LYS 86 1HG LYS 86 3.357 11.910 11.910 161 2HG LYS 86 2HG LYS 86 1.622 12.072 12.072 162 1HD LYS 86 2HD LYS 86 2.793 11.317 11.317 163 2HD LYS 86 1HD LYS 86 3.798 12.602 12.602 164 1HE LYS 86 1HE LYS 86 0.818 12.870 12.870 165 2HE LYS 86 2HE LYS 86 1.778 13.228 13.228 166 1HZ LYS 86 1HZ LYS 86 3.041 14.836 14.836 167 2HZ LYS 86 3HZ LYS 86 2.077 14.512 14.512 168 3HZ LYS 86 2HZ LYS 86 1.394 15.220 15.220 169 H TYR 87 H TYR 87 3.855 7.543 7.543 170 HA TYR 87 HA TYR 87 3.392 5.266 5.266 171 1HB TYR 87 1HB TYR 87 4.147 5.183 5.183 172 2HB TYR 87 2HB TYR 87 5.705 5.869 5.869 173 HD1 TYR 87 HD2 TYR 87 4.004 3.247 3.247 174 HD2 TYR 87 HD1 TYR 87 7.054 4.110 4.110 175 HE1 TYR 87 HE2 TYR 87 4.909 0.981 0.981 176 HE2 TYR 87 HE1 TYR 87 7.969 1.846 1.846 177 HH TYR 87 HH2 TYR 87 6.292 -0.599 -0.599 178 H LEU 88 H LEU 88 4.043 4.416 4.416 179 HA LEU 88 HA LEU 88 6.010 5.639 5.639 180 1HB LEU 88 1HB LEU 88 4.487 3.048 3.048 181 2HB LEU 88 2HB LEU 88 5.651 3.535 3.535 182 HG LEU 88 HG LEU 88 4.289 5.173 5.173 183 1HD1 LEU 88 3HD2 LEU 88 4.045 6.385 6.385 184 2HD1 LEU 88 2HD2 LEU 88 2.700 5.315 5.315 185 3HD1 LEU 88 1HD2 LEU 88 2.588 6.393 6.393 186 1HD2 LEU 88 3HD1 LEU 88 2.871 2.788 2.788 187 2HD2 LEU 88 2HD1 LEU 88 2.848 3.627 3.627 188 3HD2 LEU 88 1HD1 LEU 88 1.794 4.165 4.165 189 H GLY 89 H GLY 89 5.932 2.354 2.354 190 1HA GLY 89 2HA GLY 89 8.344 2.224 2.224 191 2HA GLY 89 1HA GLY 89 8.765 2.020 2.020 192 H CYS 90 H CYS 90 9.571 -0.086 -0.086 193 HA CYS 90 HA CYS 90 7.415 -2.048 -2.048 194 1HB CYS 90 2HB CYS 90 10.310 -2.657 -2.657 195 2HB CYS 90 1HB CYS 90 8.880 -3.407 -3.407 196 HG CYS 90 HG CYS 90 10.408 -1.198 -1.198 197 H VAL 91 H VAL 91 7.348 -3.914 -3.914 198 HA VAL 91 HA VAL 91 9.201 -4.060 -4.060 199 HB VAL 91 HB VAL 91 7.169 -4.838 -4.838 200 1HG1 VAL 91 1HG1 VAL 91 7.863 -2.045 -2.045 201 2HG1 VAL 91 3HG1 VAL 91 6.478 -2.320 -2.320 202 3HG1 VAL 91 2HG1 VAL 91 8.081 -2.878 -2.878 203 1HG2 VAL 91 3HG2 VAL 91 5.840 -3.513 -3.513 204 2HG2 VAL 91 2HG2 VAL 91 5.504 -5.093 -5.093 205 3HG2 VAL 91 1HG2 VAL 91 5.063 -3.626 -3.626 206 H GLU 92 H GLU 92 9.882 -6.070 -6.070 207 HA GLU 92 HA GLU 92 9.318 -8.211 -8.211 208 1HB GLU 92 2HB GLU 92 10.684 -8.623 -8.623 209 2HB GLU 92 1HB GLU 92 11.013 -9.383 -9.383 210 1HG GLU 92 2HG GLU 92 12.675 -7.959 -7.959 211 2HG GLU 92 1HG GLU 92 11.491 -6.655 -6.655 212 H VAL 93 H VAL 93 7.664 -9.574 -9.574 213 HA VAL 93 HA VAL 93 6.407 -10.093 -10.093 214 HB VAL 93 HB VAL 93 4.289 -10.536 -10.536 215 1HG1 VAL 93 2HG1 VAL 93 5.547 -7.877 -7.877 216 2HG1 VAL 93 1HG1 VAL 93 4.016 -7.947 -7.947 217 3HG1 VAL 93 3HG1 VAL 93 4.129 -8.588 -8.588 218 1HG2 VAL 93 3HG2 VAL 93 5.582 -10.666 -10.666 219 2HG2 VAL 93 2HG2 VAL 93 4.041 -9.808 -9.808 220 3HG2 VAL 93 1HG2 VAL 93 5.553 -8.902 -8.902 221 H PHE 94 H PHE 94 4.934 -12.166 -12.166 222 HA PHE 94 HA PHE 94 6.746 -14.279 -14.279 223 1HB PHE 94 2HB PHE 94 4.367 -14.194 -14.194 224 2HB PHE 94 1HB PHE 94 4.999 -15.726 -15.726 225 HD1 PHE 94 HD1 PHE 94 6.544 -12.584 -12.584 226 HD2 PHE 94 HD2 PHE 94 6.232 -16.818 -16.818 227 HE1 PHE 94 HE1 PHE 94 8.227 -12.582 -12.582 228 HE2 PHE 94 HE2 PHE 94 7.914 -16.824 -16.824 229 HZ PHE 94 HZ PHE 94 8.914 -14.705 -14.705 230 H GLU 95 H GLU 95 3.756 -12.804 -12.804 231 HA GLU 95 HA GLU 95 3.357 -14.893 -14.893 232 1HB GLU 95 1HB GLU 95 1.272 -13.300 -13.300 233 2HB GLU 95 2HB GLU 95 0.921 -14.306 -14.306 234 1HG GLU 95 1HG GLU 95 0.418 -15.777 -15.777 235 2HG GLU 95 2HG GLU 95 2.133 -16.139 -16.139 236 H SER 96 H SER 96 2.525 -14.195 -14.195 237 HA SER 96 HA SER 96 2.705 -11.307 -11.307 238 1HB SER 96 1HB SER 96 3.952 -11.711 -11.711 239 2HB SER 96 2HB SER 96 4.841 -12.346 -12.346 240 HG SER 96 HG SER 96 4.178 -14.411 -14.411 241 H ARG 97 H ARG 97 0.510 -13.386 -13.386 242 HA ARG 97 HA ARG 97 -0.943 -12.533 -12.533 243 1HB ARG 97 2HB ARG 97 -1.120 -15.436 -15.436 244 2HB ARG 97 1HB ARG 97 -1.485 -14.641 -14.641 245 1HG ARG 97 1HG ARG 97 0.456 -15.776 -15.776 246 2HG ARG 97 2HG ARG 97 1.060 -14.167 -14.167 247 1HD ARG 97 2HD ARG 97 2.443 -15.260 -15.260 248 2HD ARG 97 1HD ARG 97 1.035 -15.377 -15.377 249 HE ARG 97 HE ARG 97 1.187 -17.530 -17.530 250 1HH1 ARG 97 1HH1 ARG 97 2.371 -16.360 -16.360 251 2HH1 ARG 97 2HH1 ARG 97 2.728 -17.939 -17.939 252 1HH2 ARG 97 1HH2 ARG 97 1.654 -19.616 -19.616 253 2HH2 ARG 97 2HH2 ARG 97 2.320 -19.790 -19.790 254 H GLY 98 H GLY 98 -0.979 -12.140 -12.140 255 1HA GLY 98 1HA GLY 98 -3.750 -13.055 -13.055 256 2HA GLY 98 2HA GLY 98 -2.555 -12.884 -12.884 257 H MET 99 H MET 99 -5.269 -11.580 -11.580 258 HA MET 99 HA MET 99 -4.754 -8.828 -8.828 259 1HB MET 99 2HB MET 99 -6.935 -10.135 -10.135 260 2HB MET 99 1HB MET 99 -7.222 -9.936 -9.936 261 1HG MET 99 1HG MET 99 -6.552 -7.503 -7.503 262 2HG MET 99 2HG MET 99 -8.129 -8.233 -8.233 263 1HE MET 99 2HE MET 99 -6.014 -6.081 -6.081 264 2HE MET 99 1HE MET 99 -7.423 -5.056 -5.056 265 3HE MET 99 3HE MET 99 -6.596 -5.783 -5.783 266 H GLN 100 H GLN 100 -5.672 -10.684 -10.684 267 HA GLN 100 HA GLN 100 -5.702 -8.644 -8.644 268 1HB GLN 100 1HB GLN 100 -4.867 -11.530 -11.530 269 2HB GLN 100 2HB GLN 100 -4.981 -10.449 -10.449 270 1HG GLN 100 1HG GLN 100 -7.116 -10.989 -10.989 271 2HG GLN 100 2HG GLN 100 -7.398 -10.160 -10.160 272 1HE2 GLN 100 1HE2 GLN 100 -7.626 -14.171 -14.171 273 2HE2 GLN 100 2HE2 GLN 100 -7.240 -13.163 -13.163 274 H VAL 101 H VAL 101 -2.988 -10.122 -10.122 275 HA VAL 101 HA VAL 101 -0.961 -9.382 -9.382 276 HB VAL 101 HB VAL 101 -0.709 -9.744 -9.744 277 1HG1 VAL 101 3HG1 VAL 101 1.277 -9.621 -9.621 278 2HG1 VAL 101 2HG1 VAL 101 1.641 -10.468 -10.468 279 3HG1 VAL 101 1HG1 VAL 101 1.275 -8.743 -8.743 280 1HG2 VAL 101 3HG2 VAL 101 -1.756 -11.655 -11.655 281 2HG2 VAL 101 2HG2 VAL 101 -0.303 -12.039 -12.039 282 3HG2 VAL 101 1HG2 VAL 101 -0.206 -11.820 -11.820 283 H CYS 102 H CYS 102 -2.558 -7.674 -7.674 284 HA CYS 102 HA CYS 102 -0.695 -5.515 -5.515 285 1HB CYS 102 2HB CYS 102 -3.576 -5.597 -5.597 286 2HB CYS 102 1HB CYS 102 -2.364 -4.411 -4.411 287 HG CYS 102 HG CYS 102 -2.530 -7.310 -7.310 288 H GLU 103 H GLU 103 -3.790 -6.044 -6.044 289 HA GLU 103 HA GLU 103 -4.163 -3.457 -3.457 290 1HB GLU 103 2HB GLU 103 -5.234 -6.126 -6.126 291 2HB GLU 103 1HB GLU 103 -5.181 -5.128 -5.128 292 1HG GLU 103 1HG GLU 103 -6.504 -3.426 -3.426 293 2HG GLU 103 2HG GLU 103 -6.456 -4.297 -4.297 294 H GLU 104 H GLU 104 -2.179 -6.119 -6.119 295 HA GLU 104 HA GLU 104 -1.448 -4.732 -4.732 296 1HB GLU 104 1HB GLU 104 -0.221 -6.697 -6.697 297 2HB GLU 104 2HB GLU 104 -1.748 -7.230 -7.230 298 1HG GLU 104 1HG GLU 104 -0.684 -7.772 -7.772 299 2HG GLU 104 2HG GLU 104 0.843 -7.091 -7.091 300 H ALA 105 H ALA 105 -0.019 -5.628 -5.628 301 HA ALA 105 HA ALA 105 2.606 -4.795 -4.795 302 1HB ALA 105 3HB ALA 105 1.866 -6.085 -6.085 303 2HB ALA 105 2HB ALA 105 1.088 -4.632 -4.632 304 3HB ALA 105 1HB ALA 105 2.840 -4.679 -4.679 305 H LEU 106 H LEU 106 0.005 -2.987 -2.987 306 HA LEU 106 HA LEU 106 1.206 -0.559 -0.559 307 1HB LEU 106 1HB LEU 106 -1.013 -1.040 -1.040 308 2HB LEU 106 2HB LEU 106 -1.644 -1.158 -1.158 309 HG LEU 106 HG LEU 106 -2.152 0.971 0.971 310 1HD1 LEU 106 2HD2 LEU 106 -2.001 0.465 0.465 311 2HD1 LEU 106 1HD2 LEU 106 -0.871 1.814 1.814 312 3HD1 LEU 106 3HD2 LEU 106 -2.537 2.001 2.001 313 1HD2 LEU 106 1HD1 LEU 106 0.103 1.320 1.320 314 2HD2 LEU 106 3HD1 LEU 106 -0.451 2.706 2.706 315 3HD2 LEU 106 2HD1 LEU 106 0.703 1.571 1.571 316 H LYS 107 H LYS 107 -0.296 -1.818 -1.818 317 HA LYS 107 HA LYS 107 -0.058 0.524 0.524 318 1HB LYS 107 2HB LYS 107 -1.535 -1.184 -1.184 319 2HB LYS 107 1HB LYS 107 -0.269 -2.402 -2.402 320 1HG LYS 107 2HG LYS 107 -0.044 -0.051 -0.051 321 2HG LYS 107 1HG LYS 107 -1.013 -1.456 -1.456 322 1HD LYS 107 2HD LYS 107 1.533 -2.326 -2.326 323 2HD LYS 107 1HD LYS 107 1.772 -1.115 -1.115 324 1HE LYS 107 1HE LYS 107 0.015 -2.496 -2.496 325 2HE LYS 107 2HE LYS 107 0.418 -3.776 -3.776 326 1HZ LYS 107 2HZ LYS 107 2.847 -2.941 -2.941 327 2HZ LYS 107 1HZ LYS 107 1.962 -2.719 -2.719 328 3HZ LYS 107 3HZ LYS 107 2.020 -4.243 -4.243 329 H VAL 108 H VAL 108 2.042 -2.299 -2.299 330 HA VAL 108 HA VAL 108 3.974 -1.533 -1.533 331 HB VAL 108 HB VAL 108 4.768 -3.118 -3.118 332 1HG1 VAL 108 3HG1 VAL 108 5.425 -3.137 -3.137 333 2HG1 VAL 108 2HG1 VAL 108 5.897 -4.446 -4.446 334 3HG1 VAL 108 1HG1 VAL 108 6.498 -2.810 -2.810 335 1HG2 VAL 108 3HG2 VAL 108 2.574 -3.769 -3.769 336 2HG2 VAL 108 2HG2 VAL 108 3.007 -4.477 -4.477 337 3HG2 VAL 108 1HG2 VAL 108 3.814 -5.021 -5.021 338 H LEU 109 H LEU 109 3.486 -0.664 -0.664 339 HA LEU 109 HA LEU 109 6.020 0.382 0.382 340 1HB LEU 109 1HB LEU 109 3.260 0.833 0.833 341 2HB LEU 109 2HB LEU 109 4.503 1.986 1.986 342 HG LEU 109 HG LEU 109 4.351 0.373 0.373 343 1HD1 LEU 109 1HD2 LEU 109 6.634 1.087 1.087 344 2HD1 LEU 109 3HD2 LEU 109 6.730 -0.462 -0.462 345 3HD1 LEU 109 2HD2 LEU 109 6.577 -0.420 -0.420 346 1HD2 LEU 109 3HD1 LEU 109 3.223 -1.395 -1.395 347 2HD2 LEU 109 2HD1 LEU 109 4.632 -2.019 -2.019 348 3HD2 LEU 109 1HD1 LEU 109 4.712 -1.736 -1.736 349 H ARG 110 H ARG 110 3.478 1.547 1.547 350 HA ARG 110 HA ARG 110 4.588 4.239 4.239 351 1HB ARG 110 2HB ARG 110 2.084 3.707 3.707 352 2HB ARG 110 1HB ARG 110 2.275 3.164 3.164 353 1HG ARG 110 2HG ARG 110 1.768 5.275 5.275 354 2HG ARG 110 1HG ARG 110 3.446 5.615 5.615 355 1HD ARG 110 2HD ARG 110 2.182 5.682 5.682 356 2HD ARG 110 1HD ARG 110 0.974 6.378 6.378 357 HE ARG 110 HE ARG 110 3.528 7.526 7.526 358 1HH1 ARG 110 2HH2 ARG 110 0.839 7.559 7.559 359 2HH1 ARG 110 1HH2 ARG 110 1.128 9.182 9.182 360 1HH2 ARG 110 1HH1 ARG 110 2.878 10.379 10.379 361 2HH2 ARG 110 2HH1 ARG 110 3.917 9.665 9.665 362 H GLN 111 H GLN 111 4.246 1.344 1.344 363 HA GLN 111 HA GLN 111 5.264 2.510 2.510 364 1HB GLN 111 1HB GLN 111 4.499 -0.195 -0.195 365 2HB GLN 111 2HB GLN 111 5.685 -0.137 -0.137 366 1HG GLN 111 1HG GLN 111 3.129 1.410 1.410 367 2HG GLN 111 2HG GLN 111 3.202 -0.295 -0.295 368 1HE2 GLN 111 1HE2 GLN 111 4.238 -0.910 -0.910 369 2HE2 GLN 111 2HE2 GLN 111 4.791 0.214 0.214 370 H SER 112 H SER 112 6.714 1.230 1.230 371 HA SER 112 HA SER 112 9.306 0.926 0.926 372 1HB SER 112 1HB SER 112 8.037 -0.472 -0.472 373 2HB SER 112 2HB SER 112 9.380 0.387 0.387 374 HG SER 112 HG SER 112 10.604 -0.509 -0.509 375 H ARG 113 H ARG 113 11.219 1.678 1.678 376 HA ARG 113 HA ARG 113 11.232 4.447 4.447 377 1HB ARG 113 2HB ARG 113 13.380 4.292 4.292 378 2HB ARG 113 1HB ARG 113 13.221 2.844 2.844 379 1HG ARG 113 2HG ARG 113 12.773 2.938 2.938 380 2HG ARG 113 1HG ARG 113 14.283 2.455 2.455 381 1HD ARG 113 1HD ARG 113 11.617 1.118 1.118 382 2HD ARG 113 2HD ARG 113 12.861 0.540 0.540 383 HE ARG 113 HE ARG 113 13.738 0.897 0.897 384 1HH1 ARG 113 1HH1 ARG 113 12.376 -1.294 -1.294 385 2HH1 ARG 113 2HH1 ARG 113 12.878 -2.717 -2.717 386 1HH2 ARG 113 1HH2 ARG 113 14.402 -0.973 -0.973 387 2HH2 ARG 113 2HH2 ARG 113 14.029 -2.534 -2.534 388 H ARG 114 H ARG 114 10.033 2.158 2.158 389 HA ARG 114 HA ARG 114 10.205 3.363 3.363 390 1HB ARG 114 2HB ARG 114 7.937 1.854 1.854 391 2HB ARG 114 1HB ARG 114 7.853 2.402 2.402 392 1HG ARG 114 2HG ARG 114 9.908 0.532 0.532 393 2HG ARG 114 1HG ARG 114 8.562 0.089 0.089 394 1HD ARG 114 1HD ARG 114 9.947 0.377 0.377 395 2HD ARG 114 2HD ARG 114 9.857 2.106 2.106 396 HE ARG 114 HE ARG 114 12.008 2.027 2.027 397 1HH1 ARG 114 1HH1 ARG 114 10.717 -1.207 -1.207 398 2HH1 ARG 114 2HH1 ARG 114 12.229 -1.952 -1.952 399 1HH2 ARG 114 1HH2 ARG 114 14.003 1.057 1.057 400 2HH2 ARG 114 2HH2 ARG 114 14.097 -0.665 -0.665 401 H ARG 115 H ARG 115 10.188 5.600 5.600 402 HA ARG 115 HA ARG 115 7.795 6.947 6.947 403 1HB ARG 115 2HB ARG 115 10.468 7.616 7.616 404 2HB ARG 115 1HB ARG 115 9.857 8.622 8.622 405 1HG ARG 115 1HG ARG 115 8.989 10.039 10.039 406 2HG ARG 115 2HG ARG 115 8.031 8.746 8.746 407 1HD ARG 115 1HD ARG 115 10.291 8.131 8.131 408 2HD ARG 115 2HD ARG 115 10.704 9.805 9.805 409 HE ARG 115 HE ARG 115 8.805 8.868 8.868 410 1HH1 ARG 115 1HH1 ARG 115 9.828 11.546 11.546 411 2HH1 ARG 115 2HH1 ARG 115 9.105 12.744 12.744 412 1HH2 ARG 115 1HH2 ARG 115 7.847 10.437 10.437 413 2HH2 ARG 115 2HH2 ARG 115 7.979 12.113 12.113 414 HA PRO 116 HA PRO 116 5.743 7.531 7.531 415 1HB PRO 116 2HB PRO 116 5.600 10.416 10.416 416 2HB PRO 116 1HB PRO 116 4.308 9.308 9.308 417 1HG PRO 116 1HG PRO 116 4.616 10.026 10.026 418 2HG PRO 116 2HG PRO 116 4.173 8.362 8.362 419 1HD PRO 116 2HD PRO 116 6.808 9.460 9.460 420 2HD PRO 116 1HD PRO 116 6.056 7.895 7.895 421 H VAL 117 H VAL 117 5.850 8.746 8.746 422 HA VAL 117 HA VAL 117 8.361 10.203 10.203 423 HB VAL 117 HB VAL 117 8.681 7.797 7.797 424 1HG1 VAL 117 2HG2 VAL 117 6.227 7.786 7.786 425 2HG1 VAL 117 1HG2 VAL 117 7.059 8.261 8.261 426 3HG1 VAL 117 3HG2 VAL 117 7.486 6.751 6.751 427 1HG2 VAL 117 3HG1 VAL 117 8.914 9.953 9.953 428 2HG2 VAL 117 2HG1 VAL 117 10.150 9.383 9.383 429 3HG2 VAL 117 1HG1 VAL 117 9.611 8.346 8.346 430 H ARG 118 H ARG 118 7.925 12.091 12.091 431 HA ARG 118 HA ARG 118 5.402 12.539 12.539 432 1HB ARG 118 1HB ARG 118 7.141 14.157 14.157 433 2HB ARG 118 2HB ARG 118 7.411 14.649 14.649 434 1HG ARG 118 2HG ARG 118 4.880 14.843 14.843 435 2HG ARG 118 1HG ARG 118 4.869 14.745 14.745 436 1HD ARG 118 1HD ARG 118 4.941 17.021 17.021 437 2HD ARG 118 2HD ARG 118 6.651 16.632 16.632 438 HE ARG 118 HE ARG 118 5.765 16.572 16.572 439 1HH1 ARG 118 1HH1 ARG 118 6.888 18.624 18.624 440 2HH1 ARG 118 2HH1 ARG 118 7.498 19.847 19.847 441 1HH2 ARG 118 1HH2 ARG 118 6.564 18.178 18.178 442 2HH2 ARG 118 2HH2 ARG 118 7.313 19.594 19.594 443 H GLY 119 H GLY 119 5.344 11.469 11.469 444 1HA GLY 119 2HA GLY 119 7.060 12.557 12.557 445 2HA GLY 119 1HA GLY 119 7.252 10.837 10.837 446 H LEU 120 H LEU 120 6.613 10.864 10.864 447 HA LEU 120 HA LEU 120 3.690 10.987 10.987 448 1HB LEU 120 2HB LEU 120 5.811 11.962 11.962 449 2HB LEU 120 1HB LEU 120 5.032 10.672 10.672 450 HG LEU 120 HG LEU 120 3.867 13.279 13.279 451 1HD1 LEU 120 1HD1 LEU 120 4.990 12.592 12.592 452 2HD1 LEU 120 3HD1 LEU 120 3.321 12.119 12.119 453 3HD1 LEU 120 2HD1 LEU 120 3.694 13.779 13.779 454 1HD2 LEU 120 2HD2 LEU 120 2.509 10.725 10.725 455 2HD2 LEU 120 1HD2 LEU 120 1.937 12.287 12.287 456 3HD2 LEU 120 3HD2 LEU 120 1.808 11.887 11.887 457 H LEU 121 H LEU 121 2.611 9.152 9.152 458 HA LEU 121 HA LEU 121 4.072 6.660 6.660 459 1HB LEU 121 1HB LEU 121 2.566 6.396 6.396 460 2HB LEU 121 2HB LEU 121 1.351 7.407 7.407 461 HG LEU 121 HG LEU 121 0.821 5.597 5.597 462 1HD1 LEU 121 2HD1 LEU 121 3.315 4.611 4.611 463 2HD1 LEU 121 1HD1 LEU 121 2.160 3.468 3.468 464 3HD1 LEU 121 3HD1 LEU 121 2.126 3.829 3.829 465 1HD2 LEU 121 1HD2 LEU 121 0.576 5.317 5.317 466 2HD2 LEU 121 3HD2 LEU 121 -0.671 5.386 5.386 467 3HD2 LEU 121 2HD2 LEU 121 0.207 3.883 3.883 468 H HIS 122 H HIS 122 4.584 6.437 6.437 469 HA HIS 122 HA HIS 122 2.889 7.235 7.235 470 1HB HIS 122 2HB HIS 122 5.445 5.675 5.675 471 2HB HIS 122 1HB HIS 122 4.572 5.740 5.740 472 HD1 HIS 122 HD1 HIS 122 3.719 8.739 8.739 473 HD2 HIS 122 HD2 HIS 122 7.522 7.313 7.313 474 HE1 HIS 122 HE1 HIS 122 5.304 10.673 10.673 475 H VAL 123 H VAL 123 0.922 6.247 6.247 476 HA VAL 123 HA VAL 123 0.849 3.311 3.311 477 HB VAL 123 HB VAL 123 -1.404 5.285 5.285 478 1HG1 VAL 123 2HG1 VAL 123 -1.516 2.639 2.639 479 2HG1 VAL 123 1HG1 VAL 123 -1.991 2.587 2.587 480 3HG1 VAL 123 3HG1 VAL 123 -2.853 3.637 3.637 481 1HG2 VAL 123 2HG2 VAL 123 0.525 4.330 4.330 482 2HG2 VAL 123 1HG2 VAL 123 -0.937 5.246 5.246 483 3HG2 VAL 123 3HG2 VAL 123 -0.976 3.484 3.484 484 H SER 124 H SER 124 0.769 2.393 2.393 485 HA SER 124 HA SER 124 -0.807 3.681 3.681 486 1HB SER 124 1HB SER 124 1.365 2.449 2.449 487 2HB SER 124 2HB SER 124 1.041 4.178 4.178 488 HG SER 124 HG SER 124 2.728 4.292 4.292 489 H GLY 125 H GLY 125 -1.285 1.393 1.393 490 1HA GLY 125 2HA GLY 125 -2.026 -0.784 -0.784 491 2HA GLY 125 1HA GLY 125 -2.565 -0.346 -0.346 492 H ASP 126 H ASP 126 0.814 -0.236 -0.236 493 HA ASP 126 HA ASP 126 1.236 -2.823 -2.823 494 1HB ASP 126 2HB ASP 126 1.501 -0.807 -0.807 495 2HB ASP 126 1HB ASP 126 2.941 -0.417 -0.417 496 H GLY 127 H GLY 127 2.690 -0.184 -0.184 497 1HA GLY 127 2HA GLY 127 3.911 -2.052 -2.052 498 2HA GLY 127 1HA GLY 127 5.082 -1.275 -1.275 499 H LEU 128 H LEU 128 3.626 -1.095 -1.095 500 HA LEU 128 HA LEU 128 3.285 1.721 1.721 501 1HB LEU 128 1HB LEU 128 3.747 -0.326 -0.326 502 2HB LEU 128 2HB LEU 128 3.092 1.286 1.286 503 HG LEU 128 HG LEU 128 1.673 -0.633 -0.633 504 1HD1 LEU 128 1HD1 LEU 128 2.032 -0.912 -0.912 505 2HD1 LEU 128 3HD1 LEU 128 0.359 -0.961 -0.961 506 3HD1 LEU 128 2HD1 LEU 128 1.538 -2.102 -2.102 507 1HD2 LEU 128 2HD2 LEU 128 0.936 1.734 1.734 508 2HD2 LEU 128 1HD2 LEU 128 0.766 1.524 1.524 509 3HD2 LEU 128 3HD2 LEU 128 -0.279 0.628 0.628 510 H ARG 129 H ARG 129 4.696 3.269 3.269 511 HA ARG 129 HA ARG 129 7.334 2.505 2.505 512 1HB ARG 129 1HB ARG 129 7.105 4.507 4.507 513 2HB ARG 129 2HB ARG 129 8.537 3.665 3.665 514 1HG ARG 129 2HG ARG 129 7.352 1.530 1.530 515 2HG ARG 129 1HG ARG 129 6.315 2.636 2.636 516 1HD ARG 129 2HD ARG 129 9.248 2.126 2.126 517 2HD ARG 129 1HD ARG 129 7.987 2.117 2.117 518 HE ARG 129 HE ARG 129 9.458 4.398 4.398 519 1HH1 ARG 129 1HH1 ARG 129 6.569 3.296 3.296 520 2HH1 ARG 129 2HH1 ARG 129 6.283 4.805 4.805 521 1HH2 ARG 129 1HH2 ARG 129 9.091 6.388 6.388 522 2HH2 ARG 129 2HH2 ARG 129 7.717 6.564 6.564 523 H VAL 130 H VAL 130 7.053 3.445 3.445 524 HA VAL 130 HA VAL 130 6.045 6.168 6.168 525 HB VAL 130 HB VAL 130 5.256 4.621 4.621 526 1HG1 VAL 130 3HG2 VAL 130 7.887 3.617 3.617 527 2HG1 VAL 130 2HG2 VAL 130 7.609 4.152 4.152 528 3HG1 VAL 130 1HG2 VAL 130 6.517 2.984 2.984 529 1HG2 VAL 130 2HG1 VAL 130 6.090 7.074 7.074 530 2HG2 VAL 130 1HG1 VAL 130 5.443 5.999 5.999 531 3HG2 VAL 130 3HG1 VAL 130 7.189 6.187 6.187 532 H VAL 131 H VAL 131 7.508 7.670 7.670 533 HA VAL 131 HA VAL 131 10.263 7.408 7.408 534 HB VAL 131 HB VAL 131 9.329 9.309 9.309 535 1HG1 VAL 131 2HG1 VAL 131 11.740 9.042 9.042 536 2HG1 VAL 131 1HG1 VAL 131 12.048 8.441 8.441 537 3HG1 VAL 131 3HG1 VAL 131 11.413 10.070 10.070 538 1HG2 VAL 131 3HG2 VAL 131 9.995 6.432 6.432 539 2HG2 VAL 131 2HG2 VAL 131 8.925 7.406 7.406 540 3HG2 VAL 131 1HG2 VAL 131 10.671 7.477 7.477 541 H ASP 132 H ASP 132 11.059 8.836 8.836 542 HA ASP 132 HA ASP 132 9.315 10.677 10.677 543 1HB ASP 132 2HB ASP 132 11.182 9.486 9.486 544 2HB ASP 132 1HB ASP 132 12.325 10.467 10.467 545 H ASP 133 H ASP 133 9.046 12.811 12.811 546 HA ASP 133 HA ASP 133 10.178 14.037 14.037 547 1HB ASP 133 2HB ASP 133 7.801 14.365 14.365 548 2HB ASP 133 1HB ASP 133 8.434 15.322 15.322 549 H GLU 134 H GLU 134 11.273 13.687 13.687 550 HA GLU 134 HA GLU 134 12.623 16.271 16.271 551 1HB GLU 134 1HB GLU 134 11.468 15.387 15.387 552 2HB GLU 134 2HB GLU 134 12.681 14.115 14.115 553 1HG GLU 134 1HG GLU 134 14.193 16.404 16.404 554 2HG GLU 134 2HG GLU 134 12.840 16.889 16.889 555 H THR 135 H THR 135 13.202 12.916 12.916 556 HA THR 135 HA THR 135 16.073 13.493 13.493 557 HB THR 135 HB THR 135 16.499 11.109 11.109 558 HG1 THR 135 1HG THR 135 14.827 9.886 9.886 559 1HG2 THR 135 2HG2 THR 135 14.987 12.570 12.570 560 2HG2 THR 135 1HG2 THR 135 16.066 11.197 11.197 561 3HG2 THR 135 3HG2 THR 135 16.706 12.728 12.728 562 H LYS 136 H LYS 136 13.251 11.790 11.790 563 HA LYS 136 HA LYS 136 12.697 11.188 11.188 564 1HB LYS 136 2HB LYS 136 14.814 13.041 13.041 565 2HB LYS 136 1HB LYS 136 15.107 11.670 11.670 566 1HG LYS 136 2HG LYS 136 13.808 13.418 13.418 567 2HG LYS 136 1HG LYS 136 12.893 11.915 11.915 568 1HD LYS 136 1HD LYS 136 11.755 12.830 12.830 569 2HD LYS 136 2HD LYS 136 12.631 14.345 14.345 570 1HE LYS 136 1HE LYS 136 11.050 13.241 13.241 571 2HE LYS 136 2HE LYS 136 10.201 14.037 14.037 572 1HZ LYS 136 1HZ LYS 136 12.501 15.447 15.447 573 2HZ LYS 136 3HZ LYS 136 11.154 15.337 15.337 574 3HZ LYS 136 2HZ LYS 136 11.003 16.046 16.046 575 H GLY 137 H GLY 137 14.222 9.557 9.557 576 1HA GLY 137 1HA GLY 137 15.605 7.691 7.691 577 2HA GLY 137 2HA GLY 137 15.722 7.696 7.696 578 H LEU 138 H LEU 138 14.616 5.938 5.938 579 HA LEU 138 HA LEU 138 11.991 5.265 5.265 580 1HB LEU 138 1HB LEU 138 13.632 4.412 4.412 581 2HB LEU 138 2HB LEU 138 14.072 3.187 3.187 582 HG LEU 138 HG LEU 138 11.960 2.161 2.161 583 1HD1 LEU 138 1HD1 LEU 138 10.981 4.651 4.651 584 2HD1 LEU 138 3HD1 LEU 138 10.043 3.165 3.165 585 3HD1 LEU 138 2HD1 LEU 138 10.522 4.064 4.064 586 1HD2 LEU 138 2HD2 LEU 138 13.416 1.906 1.906 587 2HD2 LEU 138 1HD2 LEU 138 11.703 1.580 1.580 588 3HD2 LEU 138 3HD2 LEU 138 12.398 3.109 3.109 589 H ILE 139 H ILE 139 10.899 4.207 4.207 590 HA ILE 139 HA ILE 139 12.448 3.089 3.089 591 HB ILE 139 HB ILE 139 9.519 3.739 3.739 592 1HG1 ILE 139 2HG1 ILE 139 11.802 5.603 5.603 593 2HG1 ILE 139 1HG1 ILE 139 10.782 5.757 5.757 594 1HG2 ILE 139 3HG2 ILE 139 11.243 2.490 2.490 595 2HG2 ILE 139 2HG2 ILE 139 11.129 4.137 4.137 596 3HG2 ILE 139 1HG2 ILE 139 9.667 3.179 3.179 597 1HD1 ILE 139 3HD1 ILE 139 8.941 5.659 5.659 598 2HD1 ILE 139 2HD1 ILE 139 10.276 6.534 6.534 599 3HD1 ILE 139 1HD1 ILE 139 9.564 7.128 7.128 600 H VAL 140 H VAL 140 9.434 2.476 2.476 601 HA VAL 140 HA VAL 140 9.741 -0.371 -0.371 602 HB VAL 140 HB VAL 140 7.224 1.103 1.103 603 1HG1 VAL 140 1HG1 VAL 140 7.892 -1.749 -1.749 604 2HG1 VAL 140 3HG1 VAL 140 6.403 -1.238 -1.238 605 3HG1 VAL 140 2HG1 VAL 140 6.617 -0.964 -0.964 606 1HG2 VAL 140 2HG2 VAL 140 8.130 1.624 1.624 607 2HG2 VAL 140 1HG2 VAL 140 6.526 0.891 0.891 608 3HG2 VAL 140 3HG2 VAL 140 7.940 -0.082 -0.082 609 H ASP 141 H ASP 141 11.345 -0.132 -0.132 610 HA ASP 141 HA ASP 141 10.341 0.133 0.133 611 1HB ASP 141 1HB ASP 141 12.516 -0.699 -0.699 612 2HB ASP 141 2HB ASP 141 12.727 0.455 0.455 613 H GLN 142 H GLN 142 8.428 -1.342 -1.342 614 HA GLN 142 HA GLN 142 9.076 -4.026 -4.026 615 1HB GLN 142 1HB GLN 142 7.771 -3.313 -3.313 616 2HB GLN 142 2HB GLN 142 7.094 -4.672 -4.672 617 1HG GLN 142 1HG GLN 142 9.189 -5.829 -5.829 618 2HG GLN 142 2HG GLN 142 9.997 -4.427 -4.427 619 1HE2 GLN 142 1HE2 GLN 142 8.908 -5.015 -5.015 620 2HE2 GLN 142 2HE2 GLN 142 9.538 -3.856 -3.856 621 H THR 143 H THR 143 7.708 -4.804 -4.804 622 HA THR 143 HA THR 143 5.888 -3.200 -3.200 623 HB THR 143 HB THR 143 5.456 -6.155 -6.155 624 HG1 THR 143 1HG THR 143 7.368 -6.492 -6.492 625 1HG2 THR 143 2HG2 THR 143 5.219 -3.980 -3.980 626 2HG2 THR 143 1HG2 THR 143 6.016 -5.416 -5.416 627 3HG2 THR 143 3HG2 THR 143 4.402 -5.545 -5.545 628 H ILE 144 H ILE 144 3.517 -4.287 -4.287 629 HA ILE 144 HA ILE 144 2.241 -4.238 -4.238 630 HB ILE 144 HB ILE 144 1.640 -2.386 -2.386 631 1HG1 ILE 144 1HG1 ILE 144 -0.734 -4.137 -4.137 632 2HG1 ILE 144 2HG1 ILE 144 0.177 -3.300 -3.300 633 1HG2 ILE 144 1HG2 ILE 144 1.559 -4.236 -4.236 634 2HG2 ILE 144 3HG2 ILE 144 -0.151 -4.202 -4.202 635 3HG2 ILE 144 2HG2 ILE 144 0.658 -2.722 -2.722 636 1HD1 ILE 144 2HD1 ILE 144 -0.312 -1.253 -1.253 637 2HD1 ILE 144 1HD1 ILE 144 -1.734 -2.254 -2.254 638 3HD1 ILE 144 3HD1 ILE 144 -1.368 -1.709 -1.709 639 H GLU 145 H GLU 145 2.889 -6.159 -6.159 640 HA GLU 145 HA GLU 145 0.692 -8.001 -8.001 641 1HB GLU 145 1HB GLU 145 1.273 -9.065 -9.065 642 2HB GLU 145 2HB GLU 145 1.097 -7.333 -7.333 643 1HG GLU 145 1HG GLU 145 3.805 -7.811 -7.811 644 2HG GLU 145 2HG GLU 145 3.323 -9.018 -9.018 645 H LYS 146 H LYS 146 4.135 -7.653 -7.653 646 HA LYS 146 HA LYS 146 4.507 -10.468 -10.468 647 1HB LYS 146 1HB LYS 146 6.157 -8.441 -8.441 648 2HB LYS 146 2HB LYS 146 6.834 -8.856 -8.856 649 1HG LYS 146 1HG LYS 146 6.224 -10.810 -10.810 650 2HG LYS 146 2HG LYS 146 7.820 -10.169 -10.169 651 1HD LYS 146 2HD LYS 146 6.238 -11.471 -11.471 652 2HD LYS 146 1HD LYS 146 7.001 -12.496 -12.496 653 1HE LYS 146 1HE LYS 146 9.134 -11.879 -11.879 654 2HE LYS 146 2HE LYS 146 8.599 -10.353 -10.353 655 1HZ LYS 146 2HZ LYS 146 7.648 -12.816 -12.816 656 2HZ LYS 146 1HZ LYS 146 9.276 -12.416 -12.416 657 3HZ LYS 146 3HZ LYS 146 8.065 -11.336 -11.336 658 H VAL 147 H VAL 147 2.988 -8.427 -8.427 659 HA VAL 147 HA VAL 147 4.529 -8.778 -8.778 660 HB VAL 147 HB VAL 147 2.240 -7.021 -7.021 661 1HG1 VAL 147 3HG1 VAL 147 4.615 -7.439 -7.439 662 2HG1 VAL 147 2HG1 VAL 147 4.934 -5.946 -5.946 663 3HG1 VAL 147 1HG1 VAL 147 3.583 -6.032 -6.032 664 1HG2 VAL 147 2HG2 VAL 147 4.326 -6.196 -6.196 665 2HG2 VAL 147 1HG2 VAL 147 2.595 -6.381 -6.381 666 3HG2 VAL 147 3HG2 VAL 147 3.185 -5.096 -5.096 667 H SER 148 H SER 148 2.590 -8.526 -8.526 668 HA SER 148 HA SER 148 1.024 -10.959 -10.959 669 1HB SER 148 1HB SER 148 2.316 -9.731 -9.731 670 2HB SER 148 2HB SER 148 0.699 -10.357 -10.357 671 HG SER 148 HG SER 148 1.590 -12.297 -12.297 672 H PHE 149 H PHE 149 0.402 -7.990 -7.990 673 HA PHE 149 HA PHE 149 -1.537 -6.861 -6.861 674 1HB PHE 149 2HB PHE 149 -3.108 -8.833 -8.833 675 2HB PHE 149 1HB PHE 149 -3.604 -7.919 -7.919 676 HD1 PHE 149 HD2 PHE 149 -1.662 -8.478 -8.478 677 HD2 PHE 149 HD1 PHE 149 -3.238 -11.079 -11.079 678 HE1 PHE 149 HE2 PHE 149 -1.157 -10.413 -10.413 679 HE2 PHE 149 HE1 PHE 149 -2.736 -13.020 -13.020 680 HZ PHE 149 HZ PHE 149 -1.694 -12.689 -12.689 681 H CYS 150 H CYS 150 -2.805 -5.303 -5.303 682 HA CYS 150 HA CYS 150 -1.802 -4.510 -4.510 683 1HB CYS 150 2HB CYS 150 -3.241 -2.581 -2.581 684 2HB CYS 150 1HB CYS 150 -2.483 -2.912 -2.912 685 HG CYS 150 HG CYS 150 -4.885 -2.536 -2.536 686 H ALA 151 H ALA 151 -3.672 -3.583 -3.583 687 HA ALA 151 HA ALA 151 -6.055 -4.892 -4.892 688 1HB ALA 151 3HB ALA 151 -3.771 -6.559 -6.559 689 2HB ALA 151 2HB ALA 151 -4.898 -6.344 -6.344 690 3HB ALA 151 1HB ALA 151 -5.470 -6.990 -6.990 691 HA PRO 152 HA PRO 152 -4.987 -1.286 -1.286 692 1HB PRO 152 2HB PRO 152 -7.671 -0.534 -0.534 693 2HB PRO 152 1HB PRO 152 -6.435 0.134 0.134 694 1HG PRO 152 1HG PRO 152 -8.475 -1.975 -1.975 695 2HG PRO 152 2HG PRO 152 -7.862 -0.702 -0.702 696 1HD PRO 152 2HD PRO 152 -7.062 -3.244 -3.244 697 2HD PRO 152 1HD PRO 152 -5.939 -1.893 -1.893 698 H ASP 153 H ASP 153 -5.301 -1.102 -1.102 699 HA ASP 153 HA ASP 153 -5.806 -3.257 -3.257 700 1HB ASP 153 2HB ASP 153 -6.473 -1.487 -1.487 701 2HB ASP 153 1HB ASP 153 -4.848 -1.457 -1.457 702 H ARG 154 H ARG 154 -8.202 -0.656 -0.656 703 HA ARG 154 HA ARG 154 -10.360 -2.437 -2.437 704 1HB ARG 154 2HB ARG 154 -9.806 -2.634 -2.634 705 2HB ARG 154 1HB ARG 154 -10.543 -1.043 -1.043 706 1HG ARG 154 1HG ARG 154 -12.542 -1.979 -1.979 707 2HG ARG 154 2HG ARG 154 -12.294 -2.680 -2.680 708 1HD ARG 154 2HD ARG 154 -11.902 -4.722 -4.722 709 2HD ARG 154 1HD ARG 154 -10.881 -4.098 -4.098 710 HE ARG 154 HE ARG 154 -12.671 -4.231 -4.231 711 1HH1 ARG 154 1HH1 ARG 154 -13.829 -4.234 -4.234 712 2HH1 ARG 154 2HH1 ARG 154 -15.477 -4.527 -4.527 713 1HH2 ARG 154 1HH2 ARG 154 -14.838 -4.616 -4.616 714 2HH2 ARG 154 2HH2 ARG 154 -16.051 -4.744 -4.744 715 H ASN 155 H ASN 155 -9.225 0.013 0.013 716 HA ASN 155 HA ASN 155 -9.786 2.133 2.133 717 1HB ASN 155 1HB ASN 155 -12.538 0.892 0.892 718 2HB ASN 155 2HB ASN 155 -11.924 2.211 2.211 719 1HD2 ASN 155 2HD2 ASN 155 -10.759 0.105 0.105 720 2HD2 ASN 155 1HD2 ASN 155 -11.312 1.663 1.663 721 H HIS 156 H HIS 156 -9.882 1.808 1.808 722 HA HIS 156 HA HIS 156 -12.080 3.629 3.629 723 1HB HIS 156 1HB HIS 156 -11.502 1.278 1.278 724 2HB HIS 156 2HB HIS 156 -10.485 2.339 2.339 725 HD1 HIS 156 HD1 HIS 156 -11.824 4.374 4.374 726 HD2 HIS 156 HD2 HIS 156 -14.108 1.239 1.239 727 HE1 HIS 156 HE1 HIS 156 -14.084 4.542 4.542 728 H GLU 157 H GLU 157 -9.035 3.981 3.981 729 HA GLU 157 HA GLU 157 -8.782 6.426 6.426 730 1HB GLU 157 2HB GLU 157 -7.046 4.084 4.084 731 2HB GLU 157 1HB GLU 157 -6.199 5.610 5.610 732 1HG GLU 157 2HG GLU 157 -8.301 5.009 5.009 733 2HG GLU 157 1HG GLU 157 -6.572 5.212 5.212 734 H ARG 158 H ARG 158 -9.040 5.363 5.363 735 HA ARG 158 HA ARG 158 -8.327 5.974 5.974 736 1HB ARG 158 2HB ARG 158 -7.017 8.214 8.214 737 2HB ARG 158 1HB ARG 158 -7.267 8.198 8.198 738 1HG ARG 158 1HG ARG 158 -9.078 9.418 9.418 739 2HG ARG 158 2HG ARG 158 -9.784 7.809 7.809 740 1HD ARG 158 1HD ARG 158 -8.473 8.442 8.442 741 2HD ARG 158 2HD ARG 158 -9.477 9.819 9.819 742 HE ARG 158 HE ARG 158 -10.378 7.295 7.295 743 1HH1 ARG 158 1HH1 ARG 158 -11.184 9.905 9.905 744 2HH1 ARG 158 2HH1 ARG 158 -12.890 9.616 9.616 745 1HH2 ARG 158 1HH2 ARG 158 -12.624 6.907 6.907 746 2HH2 ARG 158 2HH2 ARG 158 -13.709 7.913 7.913 747 H GLY 159 H GLY 159 -6.694 4.100 4.100 748 1HA GLY 159 1HA GLY 159 -4.085 4.672 4.672 749 2HA GLY 159 2HA GLY 159 -4.206 3.938 3.938 750 H PHE 160 H PHE 160 -3.068 3.053 3.053 751 HA PHE 160 HA PHE 160 -4.481 0.469 0.469 752 1HB PHE 160 1HB PHE 160 -3.279 2.182 2.182 753 2HB PHE 160 2HB PHE 160 -3.266 0.433 0.433 754 HD1 PHE 160 HD2 PHE 160 -5.803 2.790 2.790 755 HD2 PHE 160 HD1 PHE 160 -4.862 -0.170 -0.170 756 HE1 PHE 160 HE2 PHE 160 -8.118 2.870 2.870 757 HE2 PHE 160 HE1 PHE 160 -7.178 -0.096 -0.096 758 HZ PHE 160 HZ PHE 160 -8.810 1.426 1.426 759 H SER 161 H SER 161 -2.723 -1.096 -1.096 760 HA SER 161 HA SER 161 -0.037 -0.788 -0.788 761 1HB SER 161 1HB SER 161 -1.571 -3.020 -3.020 762 2HB SER 161 2HB SER 161 0.059 -2.450 -2.450 763 HG SER 161 HG SER 161 -2.419 -1.309 -1.309 764 H TYR 162 H TYR 162 1.319 -2.016 -2.016 765 HA TYR 162 HA TYR 162 0.132 -4.001 -4.001 766 1HB TYR 162 2HB TYR 162 2.869 -2.729 -2.729 767 2HB TYR 162 1HB TYR 162 2.043 -3.669 -3.669 768 HD1 TYR 162 HD2 TYR 162 -0.702 -2.236 -2.236 769 HD2 TYR 162 HD1 TYR 162 3.225 -0.866 -0.866 770 HE1 TYR 162 HE2 TYR 162 -1.644 -0.172 -0.172 771 HE2 TYR 162 HE1 TYR 162 2.294 1.203 1.203 772 HH TYR 162 HH2 TYR 162 0.025 1.887 1.887 773 H ILE 163 H ILE 163 1.867 -5.769 -5.769 774 HA ILE 163 HA ILE 163 3.588 -6.571 -6.571 775 HB ILE 163 HB ILE 163 2.217 -8.922 -8.922 776 1HG1 ILE 163 1HG1 ILE 163 0.114 -6.756 -6.756 777 2HG1 ILE 163 2HG1 ILE 163 0.354 -7.764 -7.764 778 1HG2 ILE 163 3HG2 ILE 163 3.159 -7.810 -7.810 779 2HG2 ILE 163 2HG2 ILE 163 1.749 -6.752 -6.752 780 3HG2 ILE 163 1HG2 ILE 163 1.556 -8.488 -8.488 781 1HD1 ILE 163 2HD1 ILE 163 0.061 -9.708 -9.708 782 2HD1 ILE 163 1HD1 ILE 163 -0.796 -8.456 -8.456 783 3HD1 ILE 163 3HD1 ILE 163 -1.328 -8.898 -8.898 784 H CYS 164 H CYS 164 4.955 -8.307 -8.307 785 HA CYS 164 HA CYS 164 4.742 -9.481 -9.481 786 1HB CYS 164 2HB CYS 164 6.931 -8.822 -8.822 787 2HB CYS 164 1HB CYS 164 6.093 -7.362 -7.362 788 HG CYS 164 HG CYS 164 7.525 -7.779 -7.779 789 H ARG 165 H ARG 165 6.457 -11.196 -11.196 790 HA ARG 165 HA ARG 165 7.110 -12.449 -12.449 791 1HB ARG 165 2HB ARG 165 6.867 -14.644 -14.644 792 2HB ARG 165 1HB ARG 165 5.388 -13.787 -13.787 793 1HG ARG 165 2HG ARG 165 4.809 -13.616 -13.616 794 2HG ARG 165 1HG ARG 165 6.382 -12.949 -12.949 795 1HD ARG 165 2HD ARG 165 7.310 -15.082 -15.082 796 2HD ARG 165 1HD ARG 165 5.976 -15.883 -15.883 797 HE ARG 165 HE ARG 165 6.052 -15.014 -15.014 798 1HH1 ARG 165 1HH1 ARG 165 4.030 -15.903 -15.903 799 2HH1 ARG 165 2HH1 ARG 165 2.677 -16.334 -16.334 800 1HH2 ARG 165 2HH2 ARG 165 4.275 -15.579 -15.579 801 2HH2 ARG 165 1HH2 ARG 165 2.816 -16.150 -16.150 802 H ASP 166 H ASP 166 9.186 -11.370 -11.370 803 HA ASP 166 HA ASP 166 11.374 -11.189 -11.189 804 1HB ASP 166 1HB ASP 166 12.574 -13.259 -13.259 805 2HB ASP 166 2HB ASP 166 11.218 -13.437 -13.437 806 H GLY 167 H GLY 167 12.892 -12.766 -12.766 807 1HA GLY 167 1HA GLY 167 12.922 -13.317 -13.317 808 2HA GLY 167 2HA GLY 167 11.589 -12.196 -12.196 809 H THR 168 H THR 168 12.744 -10.101 -10.101 810 HA THR 168 HA THR 168 15.256 -9.414 -9.414 811 HB THR 168 HB THR 168 12.761 -7.747 -7.747 812 HG1 THR 168 1HG THR 168 12.642 -9.021 -9.021 813 1HG2 THR 168 1HG2 THR 168 15.619 -7.192 -7.192 814 2HG2 THR 168 3HG2 THR 168 14.251 -6.384 -6.384 815 3HG2 THR 168 2HG2 THR 168 14.522 -6.206 -6.206 816 H THR 169 H THR 169 12.573 -8.338 -8.338 817 HA THR 169 HA THR 169 14.008 -6.360 -6.360 818 HB THR 169 HB THR 169 11.884 -7.692 -7.692 819 HG1 THR 169 1HG THR 169 11.281 -6.646 -6.646 820 1HG2 THR 169 2HG2 THR 169 12.844 -5.089 -5.089 821 2HG2 THR 169 1HG2 THR 169 11.193 -5.096 -5.096 822 3HG2 THR 169 3HG2 THR 169 11.518 -5.636 -5.636 823 H ARG 170 H ARG 170 12.790 -9.402 -9.402 824 HA ARG 170 HA ARG 170 15.232 -10.398 -10.398 825 1HB ARG 170 1HB ARG 170 14.628 -9.899 -9.899 826 2HB ARG 170 2HB ARG 170 15.660 -8.834 -8.834 827 1HG ARG 170 1HG ARG 170 13.224 -7.766 -7.766 828 2HG ARG 170 2HG ARG 170 12.992 -8.379 -8.379 829 1HD ARG 170 1HD ARG 170 15.250 -6.587 -6.587 830 2HD ARG 170 2HD ARG 170 13.794 -6.047 -6.047 831 HE ARG 170 HE ARG 170 15.234 -8.110 -8.110 832 1HH1 ARG 170 1HH1 ARG 170 14.935 -4.683 -4.683 833 2HH1 ARG 170 2HH1 ARG 170 15.663 -4.251 -4.251 834 1HH2 ARG 170 1HH2 ARG 170 16.193 -7.554 -7.554 835 2HH2 ARG 170 2HH2 ARG 170 16.378 -5.883 -5.883 836 H ARG 171 H ARG 171 12.316 -10.040 -10.040 837 HA ARG 171 HA ARG 171 11.595 -12.822 -12.822 838 1HB ARG 171 2HB ARG 171 11.202 -13.322 -13.322 839 2HB ARG 171 1HB ARG 171 12.816 -12.634 -12.634 840 1HG ARG 171 2HG ARG 171 12.156 -10.621 -10.621 841 2HG ARG 171 1HG ARG 171 10.444 -10.938 -10.938 842 1HD ARG 171 2HD ARG 171 10.283 -11.800 -11.800 843 2HD ARG 171 1HD ARG 171 11.410 -13.072 -13.072 844 HE ARG 171 HE ARG 171 12.920 -10.835 -10.835 845 1HH1 ARG 171 1HH1 ARG 171 10.745 -13.062 -13.062 846 2HH1 ARG 171 2HH1 ARG 171 11.499 -12.909 -12.909 847 1HH2 ARG 171 1HH2 ARG 171 13.919 -10.626 -10.626 848 2HH2 ARG 171 2HH2 ARG 171 13.303 -11.524 -11.524 849 H TRP 172 H TRP 172 9.384 -12.688 -12.688 850 HA TRP 172 HA TRP 172 7.381 -11.611 -11.611 851 1HB TRP 172 1HB TRP 172 6.941 -12.005 -12.005 852 2HB TRP 172 2HB TRP 172 5.844 -12.325 -12.325 853 HD1 TRP 172 HD1 TRP 172 7.999 -14.085 -14.085 854 HE1 TRP 172 HE1 TRP 172 8.418 -16.511 -16.511 855 HE3 TRP 172 HE3 TRP 172 6.332 -13.745 -13.745 856 HZ2 TRP 172 2HZ TRP 172 8.086 -18.075 -18.075 857 HZ3 TRP 172 HZ3 TRP 172 6.416 -15.752 -15.752 858 HH2 TRP 172 HH2 TRP 172 7.276 -17.871 -17.871 859 H MET 173 H MET 173 8.239 -9.478 -9.478 860 HA MET 173 HA MET 173 8.341 -7.619 -7.619 861 1HB MET 173 1HB MET 173 8.850 -7.401 -7.401 862 2HB MET 173 2HB MET 173 8.789 -5.972 -5.972 863 1HG MET 173 1HG MET 173 10.509 -8.049 -8.049 864 2HG MET 173 2HG MET 173 11.005 -7.511 -7.511 865 1HE MET 173 1HE MET 173 9.679 -6.156 -6.156 866 2HE MET 173 3HE MET 173 11.281 -6.810 -6.810 867 3HE MET 173 2HE MET 173 10.989 -5.076 -5.076 868 H CYS 174 H CYS 174 6.696 -6.500 -6.500 869 HA CYS 174 HA CYS 174 4.270 -6.244 -6.244 870 1HB CYS 174 2HB CYS 174 4.567 -6.892 -6.892 871 2HB CYS 174 1HB CYS 174 4.274 -5.159 -5.159 872 HG CYS 174 HG CYS 174 2.005 -5.644 -5.644 873 H HIS 175 H HIS 175 3.210 -4.136 -4.136 874 HA HIS 175 HA HIS 175 5.043 -1.877 -1.877 875 1HB HIS 175 2HB HIS 175 3.495 -2.477 -2.477 876 2HB HIS 175 1HB HIS 175 4.405 -1.001 -1.001 877 HD1 HIS 175 HD1 HIS 175 6.590 -1.068 -1.068 878 HD2 HIS 175 HD2 HIS 175 5.428 -4.822 -4.822 879 HE1 HIS 175 HE1 HIS 175 8.426 -2.668 -2.668 880 H GLY 176 H GLY 176 4.021 -0.702 -0.702 881 1HA GLY 176 1HA GLY 176 1.120 -0.266 -0.266 882 2HA GLY 176 2HA GLY 176 2.071 0.050 0.050 883 H PHE 177 H PHE 177 0.750 1.378 1.378 884 HA PHE 177 HA PHE 177 2.279 3.852 3.852 885 1HB PHE 177 1HB PHE 177 2.371 4.291 4.291 886 2HB PHE 177 2HB PHE 177 2.687 2.565 2.565 887 HD1 PHE 177 HD2 PHE 177 0.442 1.085 1.085 888 HD2 PHE 177 HD1 PHE 177 0.986 4.965 4.965 889 HE1 PHE 177 HE2 PHE 177 -1.363 0.647 0.647 890 HE2 PHE 177 HE1 PHE 177 -0.821 4.537 4.537 891 HZ PHE 177 HZ PHE 177 -1.999 2.373 2.373 892 H LEU 178 H LEU 178 1.192 5.672 5.672 893 HA LEU 178 HA LEU 178 -1.740 5.525 5.525 894 1HB LEU 178 2HB LEU 178 -0.360 6.113 6.113 895 2HB LEU 178 1HB LEU 178 -0.108 7.668 7.668 896 HG LEU 178 HG LEU 178 -2.675 7.801 7.801 897 1HD1 LEU 178 1HD2 LEU 178 -3.020 5.400 5.400 898 2HD1 LEU 178 3HD2 LEU 178 -2.455 5.739 5.739 899 3HD1 LEU 178 2HD2 LEU 178 -3.923 6.508 6.508 900 1HD2 LEU 178 1HD1 LEU 178 -1.214 9.122 9.122 901 2HD2 LEU 178 3HD1 LEU 178 -2.819 8.793 8.793 902 3HD2 LEU 178 2HD1 LEU 178 -1.430 7.868 7.868 903 H ALA 179 H ALA 179 -2.985 7.164 7.164 904 HA ALA 179 HA ALA 179 -1.914 8.304 8.304 905 1HB ALA 179 2HB ALA 179 -4.340 7.598 7.598 906 2HB ALA 179 1HB ALA 179 -4.493 9.211 9.211 907 3HB ALA 179 3HB ALA 179 -4.066 9.023 9.023 908 H CYS 180 H CYS 180 -1.309 10.366 10.366 909 HA CYS 180 HA CYS 180 -0.214 11.989 11.989 910 1HB CYS 180 1HB CYS 180 0.583 12.137 12.137 911 2HB CYS 180 2HB CYS 180 -1.005 12.638 12.638 912 HG CYS 180 HG CYS 180 -0.638 14.936 14.936 913 H LYS 181 H LYS 181 -3.201 12.444 12.444 914 HA LYS 181 HA LYS 181 -4.003 14.719 14.719 915 1HB LYS 181 1HB LYS 181 -5.662 13.080 13.080 916 2HB LYS 181 2HB LYS 181 -6.013 14.705 14.705 917 1HG LYS 181 1HG LYS 181 -3.657 13.925 13.925 918 2HG LYS 181 2HG LYS 181 -5.135 14.699 14.699 919 1HD LYS 181 2HD LYS 181 -3.977 16.137 16.137 920 2HD LYS 181 1HD LYS 181 -2.829 15.967 15.967 921 1HE LYS 181 2HE LYS 181 -3.849 17.776 17.776 922 2HE LYS 181 1HE LYS 181 -5.104 16.639 16.639 923 1HZ LYS 181 2HZ LYS 181 -5.126 18.059 18.059 924 2HZ LYS 181 1HZ LYS 181 -5.907 18.644 18.644 925 3HZ LYS 181 3HZ LYS 181 -6.384 17.171 17.171 926 H ASP 182 H ASP 182 -4.761 11.291 11.291 927 HA ASP 182 HA ASP 182 -5.753 9.924 9.924 928 1HB ASP 182 1HB ASP 182 -4.597 11.829 11.829 929 2HB ASP 182 2HB ASP 182 -6.289 12.017 12.017 930 H SER 183 H SER 183 -7.428 10.297 10.297 931 HA SER 183 HA SER 183 -9.955 10.855 10.855 932 1HB SER 183 1HB SER 183 -10.629 12.135 12.135 933 2HB SER 183 2HB SER 183 -9.756 12.983 12.983 934 HG SER 183 HG SER 183 -7.880 12.791 12.791 935 H GLY 184 H GLY 184 -8.352 8.601 8.601 936 1HA GLY 184 2HA GLY 184 -8.749 6.841 6.841 937 2HA GLY 184 1HA GLY 184 -10.356 6.932 6.932 938 H GLU 185 H GLU 185 -8.900 9.403 9.403 939 HA GLU 185 HA GLU 185 -10.530 8.569 8.569 940 1HB GLU 185 1HB GLU 185 -10.923 11.064 11.064 941 2HB GLU 185 2HB GLU 185 -11.151 11.140 11.140 942 1HG GLU 185 2HG GLU 185 -12.700 9.117 9.117 943 2HG GLU 185 1HG GLU 185 -12.682 9.563 9.563 944 H ARG 186 H ARG 186 -7.884 8.287 8.287 945 HA ARG 186 HA ARG 186 -7.041 9.908 9.908 946 1HB ARG 186 2HB ARG 186 -6.070 10.574 10.574 947 2HB ARG 186 1HB ARG 186 -4.924 10.664 10.664 948 1HG ARG 186 2HG ARG 186 -6.834 12.072 12.072 949 2HG ARG 186 1HG ARG 186 -7.328 12.324 12.324 950 1HD ARG 186 2HD ARG 186 -4.914 12.996 12.996 951 2HD ARG 186 1HD ARG 186 -4.724 13.058 13.058 952 HE ARG 186 HE ARG 186 -6.081 14.963 14.963 953 1HH1 ARG 186 1HH1 ARG 186 -5.891 13.594 13.594 954 2HH1 ARG 186 2HH1 ARG 186 -6.563 14.987 14.987 955 1HH2 ARG 186 1HH2 ARG 186 -6.966 16.803 16.803 956 2HH2 ARG 186 2HH2 ARG 186 -7.176 16.815 16.815 957 H LEU 187 H LEU 187 -6.027 7.809 7.809 958 HA LEU 187 HA LEU 187 -4.205 6.437 6.437 959 1HB LEU 187 1HB LEU 187 -4.095 6.852 6.852 960 2HB LEU 187 2HB LEU 187 -3.222 5.531 5.531 961 HG LEU 187 HG LEU 187 -1.965 7.142 7.142 962 1HD1 LEU 187 2HD1 LEU 187 -3.637 9.148 9.148 963 2HD1 LEU 187 1HD1 LEU 187 -2.123 9.566 9.566 964 3HD1 LEU 187 3HD1 LEU 187 -3.475 8.943 8.943 965 1HD2 LEU 187 3HD2 LEU 187 -1.795 6.793 6.793 966 2HD2 LEU 187 2HD2 LEU 187 -0.498 7.034 7.034 967 3HD2 LEU 187 1HD2 LEU 187 -1.275 8.426 8.426 968 H SER 188 H SER 188 -6.581 5.961 5.961 969 HA SER 188 HA SER 188 -6.639 3.197 3.197 970 1HB SER 188 1HB SER 188 -9.054 3.488 3.488 971 2HB SER 188 2HB SER 188 -7.888 4.444 4.444 972 HG SER 188 HG SER 188 -9.996 5.336 5.336 973 H HIS 189 H HIS 189 -8.991 5.186 5.186 974 HA HIS 189 HA HIS 189 -9.935 3.011 3.011 975 1HB HIS 189 1HB HIS 189 -11.321 4.976 4.976 976 2HB HIS 189 2HB HIS 189 -10.159 5.995 5.995 977 HD1 HIS 189 HD1 HIS 189 -12.586 3.159 3.159 978 HD2 HIS 189 HD2 HIS 189 -10.540 6.211 6.211 979 HE1 HIS 189 HE1 HIS 189 -13.461 3.206 3.206 980 H ALA 190 H ALA 190 -7.274 5.197 5.197 981 HA ALA 190 HA ALA 190 -6.873 4.899 4.899 982 1HB ALA 190 2HB ALA 190 -5.374 6.042 6.042 983 2HB ALA 190 1HB ALA 190 -4.405 5.505 5.505 984 3HB ALA 190 3HB ALA 190 -5.681 6.701 6.701 985 H VAL 191 H VAL 191 -5.060 3.542 3.542 986 HA VAL 191 HA VAL 191 -3.536 1.751 1.751 987 HB VAL 191 HB VAL 191 -4.329 1.338 1.338 988 1HG1 VAL 191 3HG2 VAL 191 -2.148 0.324 0.324 989 2HG1 VAL 191 2HG2 VAL 191 -1.893 0.443 0.443 990 3HG1 VAL 191 1HG2 VAL 191 -3.195 -0.563 -0.563 991 1HG2 VAL 191 3HG1 VAL 191 -3.151 3.618 3.618 992 2HG2 VAL 191 2HG1 VAL 191 -3.042 3.038 3.038 993 3HG2 VAL 191 1HG1 VAL 191 -1.771 2.644 2.644 994 H GLY 192 H GLY 192 -6.646 1.374 1.374 995 1HA GLY 192 1HA GLY 192 -6.920 -1.408 -1.408 996 2HA GLY 192 2HA GLY 192 -8.230 -0.290 -0.290 997 H CYS 193 H CYS 193 -7.953 1.421 1.421 998 HA CYS 193 HA CYS 193 -9.288 -0.124 -0.124 999 1HB CYS 193 2HB CYS 193 -9.677 1.932 1.932 1000 2HB CYS 193 1HB CYS 193 -9.758 2.305 2.305 1001 HG CYS 193 HG CYS 193 -8.254 3.975 3.975 1002 H ALA 194 H ALA 194 -6.089 1.203 1.203 1003 HA ALA 194 HA ALA 194 -5.064 0.970 0.970 1004 1HB ALA 194 3HB ALA 194 -3.671 0.610 0.610 1005 2HB ALA 194 2HB ALA 194 -2.851 0.789 0.789 1006 3HB ALA 194 1HB ALA 194 -3.840 2.105 2.105 1007 H PHE 195 H PHE 195 -5.217 -1.438 -1.438 1008 HA PHE 195 HA PHE 195 -3.796 -3.501 -3.501 1009 1HB PHE 195 1HB PHE 195 -6.093 -3.381 -3.381 1010 2HB PHE 195 2HB PHE 195 -5.642 -4.950 -4.950 1011 HD1 PHE 195 HD1 PHE 195 -3.199 -5.668 -5.668 1012 HD2 PHE 195 HD2 PHE 195 -4.959 -2.509 -2.509 1013 HE1 PHE 195 HE1 PHE 195 -1.413 -5.869 -5.869 1014 HE2 PHE 195 HE2 PHE 195 -3.174 -2.703 -2.703 1015 HZ PHE 195 HZ PHE 195 -1.398 -4.385 -4.385 1016 H ALA 196 H ALA 196 -6.917 -2.260 -2.260 1017 HA ALA 196 HA ALA 196 -8.146 -4.341 -4.341 1018 1HB ALA 196 3HB ALA 196 -8.021 -1.449 -1.449 1019 2HB ALA 196 2HB ALA 196 -9.138 -2.634 -2.634 1020 3HB ALA 196 1HB ALA 196 -9.229 -2.212 -2.212 1021 H VAL 197 H VAL 197 -5.561 -2.278 -2.278 1022 HA VAL 197 HA VAL 197 -5.505 -3.623 -3.623 1023 HB VAL 197 HB VAL 197 -3.564 -1.664 -1.664 1024 1HG1 VAL 197 3HG2 VAL 197 -3.585 -3.052 -3.052 1025 2HG1 VAL 197 2HG2 VAL 197 -2.934 -1.417 -1.417 1026 3HG1 VAL 197 1HG2 VAL 197 -2.234 -2.725 -2.725 1027 1HG2 VAL 197 1HG1 VAL 197 -6.087 -1.173 -1.173 1028 2HG2 VAL 197 3HG1 VAL 197 -4.779 0.009 0.009 1029 3HG2 VAL 197 2HG1 VAL 197 -5.167 -0.908 -0.908 1030 H CYS 198 H CYS 198 -3.816 -3.834 -3.834 1031 HA CYS 198 HA CYS 198 -1.553 -5.247 -5.247 1032 1HB CYS 198 1HB CYS 198 -2.020 -4.486 -4.486 1033 2HB CYS 198 2HB CYS 198 -3.344 -5.639 -5.639 1034 HG CYS 198 HG CYS 198 -1.578 -6.998 -6.998 1035 H LEU 199 H LEU 199 -4.858 -6.414 -6.414 1036 HA LEU 199 HA LEU 199 -3.944 -9.029 -9.029 1037 1HB LEU 199 2HB LEU 199 -6.208 -9.806 -9.806 1038 2HB LEU 199 1HB LEU 199 -4.805 -9.599 -9.599 1039 HG LEU 199 HG LEU 199 -6.763 -7.351 -7.351 1040 1HD1 LEU 199 2HD2 LEU 199 -7.768 -9.719 -9.719 1041 2HD1 LEU 199 1HD2 LEU 199 -7.128 -9.275 -9.275 1042 3HD1 LEU 199 3HD2 LEU 199 -8.301 -8.230 -8.230 1043 1HD2 LEU 199 3HD1 LEU 199 -4.505 -7.192 -7.192 1044 2HD2 LEU 199 2HD1 LEU 199 -5.937 -6.630 -6.630 1045 3HD2 LEU 199 1HD1 LEU 199 -5.243 -8.207 -8.207 1046 H GLU 200 H GLU 200 -6.379 -6.502 -6.502 1047 HA GLU 200 HA GLU 200 -7.739 -5.840 -5.840 1048 1HB GLU 200 2HB GLU 200 -5.723 -6.122 -6.122 1049 2HB GLU 200 1HB GLU 200 -6.158 -7.805 -7.805 1050 1HG GLU 200 2HG GLU 200 -6.857 -6.677 -6.677 1051 2HG GLU 200 1HG GLU 200 -8.328 -6.928 -6.928 1052 H ARG 201 H ARG 201 -9.799 -6.317 -6.317 1053 HA ARG 201 HA ARG 201 -11.754 -7.462 -7.462 1054 1HB ARG 201 2HB ARG 201 -9.914 -9.468 -9.468 1055 2HB ARG 201 1HB ARG 201 -11.650 -9.714 -9.714 1056 1HG ARG 201 2HG ARG 201 -12.106 -8.255 -8.255 1057 2HG ARG 201 1HG ARG 201 -10.845 -7.130 -7.130 1058 1HD ARG 201 2HD ARG 201 -9.323 -9.157 -9.157 1059 2HD ARG 201 1HD ARG 201 -10.736 -9.364 -9.364 1060 HE ARG 201 HE ARG 201 -8.766 -7.341 -7.341 1061 1HH1 ARG 201 1HH2 ARG 201 -12.408 -6.644 -6.644 1062 2HH1 ARG 201 2HH2 ARG 201 -12.185 -7.904 -7.904 1063 1HH2 ARG 201 1HH1 ARG 201 -9.046 -5.680 -5.680 1064 2HH2 ARG 201 2HH1 ARG 201 -10.622 -5.380 -5.380 1065 H LYS 202 H LYS 202 -9.848 -7.815 -7.815 1066 HA LYS 202 HA LYS 202 -9.609 -9.081 -9.081 1067 1HB LYS 202 1HB LYS 202 -12.543 -9.238 -9.238 1068 2HB LYS 202 2HB LYS 202 -11.868 -9.984 -9.984 1069 1HG LYS 202 2HG LYS 202 -12.695 -7.853 -7.853 1070 2HG LYS 202 1HG LYS 202 -10.933 -7.747 -7.747 1071 1HD LYS 202 1HD LYS 202 -10.909 -6.528 -6.528 1072 2HD LYS 202 2HD LYS 202 -12.583 -6.946 -6.946 1073 1HE LYS 202 1HE LYS 202 -13.243 -5.646 -5.646 1074 2HE LYS 202 2HE LYS 202 -11.575 -5.075 -5.075 1075 1HZ LYS 202 2HZ LYS 202 -12.077 -4.443 -4.443 1076 2HZ LYS 202 1HZ LYS 202 -13.675 -4.417 -4.417 1077 3HZ LYS 202 3HZ LYS 202 -12.518 -3.415 -3.415 1078 H GLN 203 H GLN 203 -8.865 -10.508 -10.508 1079 HA GLN 203 HA GLN 203 -10.039 -13.083 -13.083 1080 1HB GLN 203 1HB GLN 203 -7.688 -11.736 -11.736 1081 2HB GLN 203 2HB GLN 203 -7.498 -13.470 -13.470 1082 1HG GLN 203 2HG GLN 203 -9.884 -13.487 -13.487 1083 2HG GLN 203 1HG GLN 203 -9.283 -11.966 -11.966 1084 1HE2 GLN 203 2HE2 GLN 203 -7.155 -13.443 -13.443 1085 2HE2 GLN 203 1HE2 GLN 203 -7.851 -12.008 -12.008 1086 H ARG 204 H ARG 204 -7.493 -11.673 -11.673 1087 HA ARG 204 HA ARG 204 -5.995 -12.580 -12.580 1088 1HB ARG 204 2HB ARG 204 -8.539 -12.501 -12.501 1089 2HB ARG 204 1HB ARG 204 -8.155 -14.193 -14.193 1090 1HG ARG 204 1HG ARG 204 -7.741 -12.509 -12.509 1091 2HG ARG 204 2HG ARG 204 -6.498 -13.707 -13.707 1092 1HD ARG 204 2HD ARG 204 -6.300 -11.112 -11.112 1093 2HD ARG 204 1HD ARG 204 -5.956 -11.113 -11.113 1094 HE ARG 204 HE ARG 204 -4.562 -13.212 -13.212 1095 1HH1 ARG 204 2HH1 ARG 204 -4.540 -9.756 -9.756 1096 2HH1 ARG 204 1HH1 ARG 204 -2.832 -9.607 -9.607 1097 1HH2 ARG 204 1HH2 ARG 204 -2.311 -13.029 -13.029 1098 2HH2 ARG 204 2HH2 ARG 204 -1.564 -11.469 -11.469 1099 H ARG 205 H ARG 205 -6.169 -15.040 -15.040 1100 HA ARG 205 HA ARG 205 -5.935 -17.118 -17.118 1101 1HB ARG 205 2HB ARG 205 -3.671 -16.175 -16.175 1102 2HB ARG 205 1HB ARG 205 -3.696 -17.785 -17.785 1103 1HG ARG 205 1HG ARG 205 -3.907 -15.264 -15.264 1104 2HG ARG 205 2HG ARG 205 -2.382 -16.077 -16.077 1105 1HD ARG 205 1HD ARG 205 -3.918 -18.136 -18.136 1106 2HD ARG 205 2HD ARG 205 -4.497 -16.786 -16.786 1107 HE ARG 205 HE ARG 205 -1.912 -18.044 -18.044 1108 1HH1 ARG 205 1HH1 ARG 205 -3.759 -15.173 -15.173 1109 2HH1 ARG 205 2HH1 ARG 205 -2.691 -14.627 -14.627 1110 1HH2 ARG 205 2HH2 ARG 205 -0.497 -17.335 -17.335 1111 2HH2 ARG 205 1HH2 ARG 205 -0.836 -15.856 -15.856 1112 H THR 206 H THR 206 -7.658 -16.478 -16.478 1113 HA THR 206 HA THR 206 -7.091 -18.834 -18.834 1114 HB THR 206 HB THR 206 -7.244 -17.037 -17.037 1115 HG1 THR 206 1HG THR 206 -8.662 -18.251 -18.251 1116 1HG2 THR 206 3HG2 THR 206 -7.956 -15.331 -15.331 1117 2HG2 THR 206 2HG2 THR 206 -9.601 -15.964 -15.964 1118 3HG2 THR 206 1HG2 THR 206 -8.870 -15.254 -15.254 1119 H ARG 207 H ARG 207 -9.320 -17.419 -17.419 1120 HA ARG 207 HA ARG 207 -11.700 -18.671 -18.671 1121 1HB ARG 207 1HB ARG 207 -10.404 -18.164 -18.164 1122 2HB ARG 207 2HB ARG 207 -12.091 -18.608 -18.608 1123 1HG ARG 207 2HG ARG 207 -11.029 -16.233 -16.233 1124 2HG ARG 207 1HG ARG 207 -11.391 -16.106 -16.106 1125 1HD ARG 207 2HD ARG 207 -13.463 -15.604 -15.604 1126 2HD ARG 207 1HD ARG 207 -13.622 -17.349 -17.349 1127 HE ARG 207 HE ARG 207 -12.536 -16.271 -16.271 1128 1HH1 ARG 207 2HH1 ARG 207 -15.510 -16.269 -16.269 1129 2HH1 ARG 207 1HH1 ARG 207 -16.511 -16.030 -16.030 1130 1HH2 ARG 207 1HH2 ARG 207 -13.846 -15.957 -15.957 1131 2HH2 ARG 207 2HH2 ARG 207 -15.565 -15.853 -15.853 1132 H ALA 208 H ALA 208 -8.858 -20.014 -20.014 1133 HA ALA 208 HA ALA 208 -10.147 -22.663 -22.663 1134 1HB ALA 208 1HB ALA 208 -9.023 -21.298 -21.298 1135 2HB ALA 208 3HB ALA 208 -7.938 -22.635 -22.635 1136 3HB ALA 208 2HB ALA 208 -9.642 -22.950 -22.950 1137 H ALA 209 H ALA 209 -9.368 -23.025 -23.025 1138 HA ALA 209 HA ALA 209 -6.557 -22.930 -22.930 1139 1HB ALA 209 3HB ALA 209 -8.184 -22.527 -22.527 1140 2HB ALA 209 2HB ALA 209 -8.832 -24.156 -24.156 1141 3HB ALA 209 1HB ALA 209 -7.187 -23.928 -23.928 1142 H ALA 210 H ALA 210 -5.925 -25.165 -25.165 1143 HA ALA 210 HA ALA 210 -5.263 -27.342 -27.342 1144 1HB ALA 210 2HB ALA 210 -7.844 -27.383 -27.383 1145 2HB ALA 210 1HB ALA 210 -6.902 -28.170 -28.170 1146 3HB ALA 210 3HB ALA 210 -6.850 -28.787 -28.787 1147 1H ALA 1 1HT ALA 1 -12.774 -8.469 -8.469 1148 2H ALA 1 3HT ALA 1 -12.680 -7.864 -7.864 1149 3H ALA 1 2HT ALA 1 -14.149 -7.740 -7.740 1150 HA ALA 1 HA ALA 1 -13.344 -5.666 -5.666 1151 1HB ALA 1 1HB ALA 1 -10.715 -7.018 -7.018 1152 2HB ALA 1 3HB ALA 1 -10.782 -5.477 -5.477 1153 3HB ALA 1 2HB ALA 1 -11.314 -5.579 -5.579 1154 H TYR 2 H TYR 2 -10.993 -7.303 -7.303 1155 HA TYR 2 HA TYR 2 -12.623 -7.353 -7.353 1156 1HB TYR 2 1HB TYR 2 -10.992 -5.578 -5.578 1157 2HB TYR 2 2HB TYR 2 -12.518 -5.118 -5.118 1158 HD1 TYR 2 HD1 TYR 2 -9.555 -6.035 -6.035 1159 HD2 TYR 2 HD2 TYR 2 -11.870 -2.841 -2.841 1160 HE1 TYR 2 HE1 TYR 2 -8.369 -4.446 -4.446 1161 HE2 TYR 2 HE2 TYR 2 -10.688 -1.248 -1.248 1162 HH TYR 2 HH2 TYR 2 -9.348 -1.095 -1.095 1163 H ILE 3 H ILE 3 -9.302 -6.306 -6.306 1164 HA ILE 3 HA ILE 3 -8.594 -9.091 -9.091 1165 HB ILE 3 HB ILE 3 -7.582 -6.553 -6.553 1166 1HG1 ILE 3 1HG1 ILE 3 -8.424 -8.576 -8.576 1167 2HG1 ILE 3 2HG1 ILE 3 -9.676 -8.397 -8.397 1168 1HG2 ILE 3 1HG2 ILE 3 -6.246 -9.085 -9.085 1169 2HG2 ILE 3 3HG2 ILE 3 -6.553 -8.751 -8.751 1170 3HG2 ILE 3 2HG2 ILE 3 -5.656 -7.590 -7.590 1171 1HD1 ILE 3 1HD1 ILE 3 -9.217 -5.821 -5.821 1172 2HD1 ILE 3 3HD1 ILE 3 -8.811 -6.543 -6.543 1173 3HD1 ILE 3 2HD1 ILE 3 -10.406 -6.808 -6.808 1174 H GLY 4 H GLY 4 -7.692 -6.177 -6.177 1175 1HA GLY 4 1HA GLY 4 -5.040 -6.796 -6.796 1176 2HA GLY 4 2HA GLY 4 -6.145 -5.834 -5.834 1177 HA PRO 5 HA PRO 5 -6.395 -9.055 -9.055 1178 1HB PRO 5 2HB PRO 5 -9.335 -8.590 -8.590 1179 2HB PRO 5 1HB PRO 5 -8.232 -8.548 -8.548 1180 1HG PRO 5 1HG PRO 5 -9.192 -6.290 -6.290 1181 2HG PRO 5 2HG PRO 5 -7.491 -6.392 -6.392 1182 1HD PRO 5 2HD PRO 5 -8.670 -6.526 -6.526 1183 2HD PRO 5 1HD PRO 5 -7.220 -5.666 -5.666 1184 1HN PTR 6 H PTR 6 -5.872 -10.748 -10.748 1185 HA PTR 6 HA PTR 6 -6.248 -12.720 -12.720 1186 1HB PTR 6 1HB PTR 6 -8.811 -12.374 -12.374 1187 2HB PTR 6 2HB PTR 6 -7.582 -13.619 -13.619 1188 HD1 PTR 6 HD1 PTR 6 -7.550 -15.540 -15.540 1189 HD2 PTR 6 HD2 PTR 6 -10.376 -12.481 -12.481 1190 HE1 PTR 6 HE1 PTR 6 -9.061 -17.164 -17.164 1191 HE2 PTR 6 HE2 PTR 6 -12.084 -14.169 -14.169 1192 H LEU 7 H LEU 7 -7.037 -13.459 -13.459 1193 HA LEU 7 HA LEU 7 -7.911 -13.271 -13.271 1194 1HB LEU 7 1HB LEU 7 -9.974 -12.533 -12.533 1195 2HB LEU 7 2HB LEU 7 -9.591 -10.940 -10.940 1196 HG LEU 7 HG LEU 7 -9.571 -12.504 -12.504 1197 1HD1 LEU 7 3HD2 LEU 7 -10.546 -14.309 -14.309 1198 2HD1 LEU 7 2HD2 LEU 7 -12.007 -13.322 -13.322 1199 3HD1 LEU 7 1HD2 LEU 7 -11.407 -13.952 -13.952 1200 1HD2 LEU 7 1HD1 LEU 7 -10.641 -10.211 -10.211 1201 2HD2 LEU 7 3HD1 LEU 7 -11.304 -11.156 -11.156 1202 3HD2 LEU 7 2HD1 LEU 7 -12.091 -11.187 -11.187 Start of MODEL 3 1 HA SER 64 HA SER 64 -19.167 9.514 9.514 2 1HB SER 64 1HB SER 64 -20.418 9.286 9.286 3 2HB SER 64 2HB SER 64 -20.937 8.393 8.393 4 HG SER 64 HG SER 64 -22.386 10.017 10.017 5 H LYS 65 H LYS 65 -17.559 9.798 9.798 6 HA LYS 65 HA LYS 65 -15.988 11.067 11.067 7 1HB LYS 65 2HB LYS 65 -18.557 11.373 11.373 8 2HB LYS 65 1HB LYS 65 -17.223 12.408 12.408 9 1HG LYS 65 2HG LYS 65 -15.860 10.531 10.531 10 2HG LYS 65 1HG LYS 65 -17.013 9.416 9.416 11 1HD LYS 65 2HD LYS 65 -17.826 11.182 11.182 12 2HD LYS 65 1HD LYS 65 -16.991 9.654 9.654 13 1HE LYS 65 1HE LYS 65 -18.730 8.395 8.395 14 2HE LYS 65 2HE LYS 65 -19.433 9.796 9.796 15 1HZ LYS 65 1HZ LYS 65 -19.926 10.684 10.684 16 2HZ LYS 65 3HZ LYS 65 -19.464 9.187 9.187 17 3HZ LYS 65 2HZ LYS 65 -20.789 9.288 9.288 18 HA PRO 66 HA PRO 66 -17.347 14.878 14.878 19 1HB PRO 66 1HB PRO 66 -14.763 14.885 14.885 20 2HB PRO 66 2HB PRO 66 -16.258 14.381 14.381 21 1HG PRO 66 1HG PRO 66 -14.161 12.732 12.732 22 2HG PRO 66 2HG PRO 66 -15.177 12.352 12.352 23 1HD PRO 66 2HD PRO 66 -15.655 11.253 11.253 24 2HD PRO 66 1HD PRO 66 -16.989 11.743 11.743 25 H HIS 67 H HIS 67 -14.015 14.239 14.239 26 HA HIS 67 HA HIS 67 -14.105 16.146 16.146 27 1HB HIS 67 1HB HIS 67 -14.112 17.758 17.758 28 2HB HIS 67 2HB HIS 67 -12.679 17.003 17.003 29 HD1 HIS 67 HD1 HIS 67 -13.625 19.766 19.766 30 HD2 HIS 67 HD2 HIS 67 -10.414 17.135 17.135 31 HE1 HIS 67 HE1 HIS 67 -11.749 20.862 20.862 32 H GLN 68 H GLN 68 -11.724 15.050 15.050 33 HA GLN 68 HA GLN 68 -9.771 14.521 14.521 34 1HB GLN 68 2HB GLN 68 -9.450 15.290 15.290 35 2HB GLN 68 1HB GLN 68 -9.441 13.557 13.557 36 1HG GLN 68 2HG GLN 68 -7.474 13.232 13.232 37 2HG GLN 68 1HG GLN 68 -7.687 14.667 14.667 38 1HE2 GLN 68 1HE2 GLN 68 -5.009 15.591 15.591 39 2HE2 GLN 68 2HE2 GLN 68 -5.308 14.610 14.610 40 H TRP 69 H TRP 69 -12.146 12.749 12.749 41 HA TRP 69 HA TRP 69 -11.179 10.154 10.154 42 1HB TRP 69 1HB TRP 69 -13.771 11.434 11.434 43 2HB TRP 69 2HB TRP 69 -13.907 9.885 9.885 44 HD1 TRP 69 HD1 TRP 69 -11.032 9.971 9.971 45 HE1 TRP 69 HE1 TRP 69 -11.612 8.642 8.642 46 HE3 TRP 69 HE3 TRP 69 -16.050 9.360 9.360 47 HZ2 TRP 69 2HZ TRP 69 -13.894 7.487 7.487 48 HZ3 TRP 69 HZ3 TRP 69 -17.358 8.131 8.131 49 HH2 TRP 69 HH2 TRP 69 -16.302 7.214 7.214 50 H GLN 70 H GLN 70 -12.570 12.184 12.184 51 HA GLN 70 HA GLN 70 -13.107 10.135 10.135 52 1HB GLN 70 1HB GLN 70 -13.493 11.888 11.888 53 2HB GLN 70 2HB GLN 70 -14.052 12.481 12.481 54 1HG GLN 70 1HG GLN 70 -12.887 14.308 14.308 55 2HG GLN 70 2HG GLN 70 -11.493 13.364 13.364 56 1HE2 GLN 70 2HE2 GLN 70 -10.297 14.531 14.531 57 2HE2 GLN 70 1HE2 GLN 70 -10.425 14.939 14.939 58 H ALA 71 H ALA 71 -10.304 12.056 12.056 59 HA ALA 71 HA ALA 71 -8.784 11.279 11.279 60 1HB ALA 71 3HB ALA 71 -8.558 13.343 13.343 61 2HB ALA 71 2HB ALA 71 -7.383 12.253 12.253 62 3HB ALA 71 1HB ALA 71 -7.206 12.732 12.732 63 H ASP 72 H ASP 72 -8.277 10.622 10.622 64 HA ASP 72 HA ASP 72 -6.358 8.663 8.663 65 1HB ASP 72 1HB ASP 72 -7.351 7.771 7.771 66 2HB ASP 72 2HB ASP 72 -6.788 9.439 9.439 67 H GLU 73 H GLU 73 -9.884 8.236 8.236 68 HA GLU 73 HA GLU 73 -10.040 5.487 5.487 69 1HB GLU 73 2HB GLU 73 -12.009 6.914 6.914 70 2HB GLU 73 1HB GLU 73 -11.783 7.509 7.509 71 1HG GLU 73 1HG GLU 73 -11.934 4.630 4.630 72 2HG GLU 73 2HG GLU 73 -13.347 5.364 5.364 73 H GLU 74 H GLU 74 -9.117 7.726 7.726 74 HA GLU 74 HA GLU 74 -9.088 5.597 5.597 75 1HB GLU 74 2HB GLU 74 -9.895 8.133 8.133 76 2HB GLU 74 1HB GLU 74 -8.194 8.357 8.357 77 1HG GLU 74 1HG GLU 74 -8.937 6.134 6.134 78 2HG GLU 74 2HG GLU 74 -10.321 7.220 7.220 79 H ALA 75 H ALA 75 -6.997 7.459 7.459 80 HA ALA 75 HA ALA 75 -4.580 7.252 7.252 81 1HB ALA 75 1HB ALA 75 -5.172 7.402 7.402 82 2HB ALA 75 3HB ALA 75 -3.536 7.438 7.438 83 3HB ALA 75 2HB ALA 75 -4.684 8.708 8.708 84 H VAL 76 H VAL 76 -5.581 5.233 5.233 85 HA VAL 76 HA VAL 76 -3.620 3.329 3.329 86 HB VAL 76 HB VAL 76 -5.425 1.764 1.764 87 1HG1 VAL 76 2HG2 VAL 76 -4.569 4.334 4.334 88 2HG1 VAL 76 1HG2 VAL 76 -5.460 3.091 3.091 89 3HG1 VAL 76 3HG2 VAL 76 -3.874 2.724 2.724 90 1HG2 VAL 76 2HG1 VAL 76 -7.152 3.601 3.601 91 2HG2 VAL 76 1HG1 VAL 76 -7.541 2.445 2.445 92 3HG2 VAL 76 3HG1 VAL 76 -7.061 4.088 4.088 93 H ARG 77 H ARG 77 -6.518 3.639 3.639 94 HA ARG 77 HA ARG 77 -6.567 1.078 1.078 95 1HB ARG 77 1HB ARG 77 -8.102 3.326 3.326 96 2HB ARG 77 2HB ARG 77 -7.290 3.291 3.291 97 1HG ARG 77 1HG ARG 77 -8.278 1.307 1.307 98 2HG ARG 77 2HG ARG 77 -8.590 0.817 0.817 99 1HD ARG 77 1HD ARG 77 -9.940 3.214 3.214 100 2HD ARG 77 2HD ARG 77 -10.572 1.590 1.590 101 HE ARG 77 HE ARG 77 -10.105 2.116 2.116 102 1HH1 ARG 77 1HH2 ARG 77 -12.338 2.644 2.644 103 2HH1 ARG 77 2HH2 ARG 77 -13.714 2.824 2.824 104 1HH2 ARG 77 1HH1 ARG 77 -11.908 2.350 2.350 105 2HH2 ARG 77 2HH1 ARG 77 -13.469 2.656 2.656 106 H SER 78 H SER 78 -5.075 4.080 4.080 107 HA SER 78 HA SER 78 -3.578 2.525 2.525 108 1HB SER 78 1HB SER 78 -4.775 4.992 4.992 109 2HB SER 78 2HB SER 78 -3.086 5.418 5.418 110 HG SER 78 HG SER 78 -4.277 4.399 4.399 111 H ALA 79 H ALA 79 -3.061 2.537 2.537 112 HA ALA 79 HA ALA 79 -1.323 2.660 2.660 113 1HB ALA 79 1HB ALA 79 0.150 2.093 2.093 114 2HB ALA 79 3HB ALA 79 0.876 1.992 1.992 115 3HB ALA 79 2HB ALA 79 -0.457 0.922 0.922 116 H THR 80 H THR 80 -1.600 4.880 4.880 117 HA THR 80 HA THR 80 0.725 6.429 6.429 118 HB THR 80 HB THR 80 0.146 6.903 6.903 119 HG1 THR 80 1HG THR 80 -0.935 9.060 9.060 120 1HG2 THR 80 3HG2 THR 80 -2.632 6.990 6.990 121 2HG2 THR 80 2HG2 THR 80 -2.203 8.089 8.089 122 3HG2 THR 80 1HG2 THR 80 -1.977 6.351 6.351 123 H CYS 81 H CYS 81 -1.133 5.564 5.564 124 HA CYS 81 HA CYS 81 -2.315 8.090 8.090 125 1HB CYS 81 1HB CYS 81 -3.924 6.386 6.386 126 2HB CYS 81 2HB CYS 81 -2.767 5.212 5.212 127 HG CYS 81 HG CYS 81 -3.417 5.854 5.854 128 H SER 82 H SER 82 -1.942 8.787 8.787 129 HA SER 82 HA SER 82 0.083 7.713 7.713 130 1HB SER 82 1HB SER 82 1.789 8.350 8.350 131 2HB SER 82 2HB SER 82 0.918 9.773 9.773 132 HG SER 82 HG SER 82 2.228 9.414 9.414 133 H PHE 83 H PHE 83 0.401 8.942 8.942 134 HA PHE 83 HA PHE 83 -0.826 11.519 11.519 135 1HB PHE 83 1HB PHE 83 -2.152 9.064 9.064 136 2HB PHE 83 2HB PHE 83 -2.416 10.673 10.673 137 HD1 PHE 83 HD1 PHE 83 -3.393 12.449 12.449 138 HD2 PHE 83 HD2 PHE 83 -3.303 8.334 8.334 139 HE1 PHE 83 HE1 PHE 83 -5.147 12.855 12.855 140 HE2 PHE 83 HE2 PHE 83 -5.056 8.730 8.730 141 HZ PHE 83 HZ PHE 83 -5.981 10.993 10.993 142 H SER 84 H SER 84 -0.286 12.536 12.536 143 HA SER 84 HA SER 84 2.136 11.859 11.859 144 1HB SER 84 2HB SER 84 1.197 14.125 14.125 145 2HB SER 84 1HB SER 84 -0.077 13.559 13.559 146 HG SER 84 HG SER 84 1.677 14.531 14.531 147 H VAL 85 H VAL 85 2.695 11.066 11.066 148 HA VAL 85 HA VAL 85 0.636 9.755 9.755 149 HB VAL 85 HB VAL 85 2.926 8.003 8.003 150 1HG1 VAL 85 3HG1 VAL 85 0.168 7.714 7.714 151 2HG1 VAL 85 2HG1 VAL 85 0.865 6.370 6.370 152 3HG1 VAL 85 1HG1 VAL 85 1.677 6.973 6.973 153 1HG2 VAL 85 1HG2 VAL 85 0.558 8.545 8.545 154 2HG2 VAL 85 3HG2 VAL 85 2.272 8.579 8.579 155 3HG2 VAL 85 2HG2 VAL 85 1.476 7.041 7.041 156 H LYS 86 H LYS 86 1.610 8.638 8.638 157 HA LYS 86 HA LYS 86 4.117 9.909 9.909 158 1HB LYS 86 2HB LYS 86 1.483 9.802 9.802 159 2HB LYS 86 1HB LYS 86 2.973 9.801 9.801 160 1HG LYS 86 2HG LYS 86 3.405 11.868 11.868 161 2HG LYS 86 1HG LYS 86 1.662 11.970 11.970 162 1HD LYS 86 2HD LYS 86 2.408 11.627 11.627 163 2HD LYS 86 1HD LYS 86 3.899 12.348 12.348 164 1HE LYS 86 1HE LYS 86 1.811 13.892 13.892 165 2HE LYS 86 2HE LYS 86 1.388 13.600 13.600 166 1HZ LYS 86 2HZ LYS 86 4.143 14.374 14.374 167 2HZ LYS 86 1HZ LYS 86 2.973 15.572 15.572 168 3HZ LYS 86 3HZ LYS 86 3.116 14.820 14.820 169 H TYR 87 H TYR 87 4.143 7.482 7.482 170 HA TYR 87 HA TYR 87 3.621 5.169 5.169 171 1HB TYR 87 1HB TYR 87 4.879 5.431 5.431 172 2HB TYR 87 2HB TYR 87 6.323 5.788 5.788 173 HD1 TYR 87 HD1 TYR 87 3.683 3.212 3.212 174 HD2 TYR 87 HD2 TYR 87 7.775 4.009 4.009 175 HE1 TYR 87 HE1 TYR 87 4.177 0.810 0.810 176 HE2 TYR 87 HE2 TYR 87 8.282 1.608 1.608 177 HH TYR 87 HH2 TYR 87 6.637 -0.529 -0.529 178 H LEU 88 H LEU 88 3.812 4.532 4.532 179 HA LEU 88 HA LEU 88 5.575 5.722 5.722 180 1HB LEU 88 1HB LEU 88 3.852 3.264 3.264 181 2HB LEU 88 2HB LEU 88 4.889 3.698 3.698 182 HG LEU 88 HG LEU 88 2.779 5.536 5.536 183 1HD1 LEU 88 2HD1 LEU 88 1.979 3.296 3.296 184 2HD1 LEU 88 1HD1 LEU 88 2.492 3.988 3.988 185 3HD1 LEU 88 3HD1 LEU 88 1.253 4.795 4.795 186 1HD2 LEU 88 3HD2 LEU 88 4.887 5.857 5.857 187 2HD2 LEU 88 2HD2 LEU 88 3.714 7.040 7.040 188 3HD2 LEU 88 1HD2 LEU 88 3.336 6.023 6.023 189 H GLY 89 H GLY 89 5.859 3.006 3.006 190 1HA GLY 89 2HA GLY 89 8.276 2.516 2.516 191 2HA GLY 89 1HA GLY 89 8.460 2.346 2.346 192 H CYS 90 H CYS 90 9.215 0.209 0.209 193 HA CYS 90 HA CYS 90 7.059 -1.704 -1.704 194 1HB CYS 90 2HB CYS 90 9.930 -2.422 -2.422 195 2HB CYS 90 1HB CYS 90 8.477 -3.114 -3.114 196 HG CYS 90 HG CYS 90 9.574 -1.701 -1.701 197 H VAL 91 H VAL 91 7.046 -3.633 -3.633 198 HA VAL 91 HA VAL 91 8.835 -3.694 -3.694 199 HB VAL 91 HB VAL 91 6.883 -4.467 -4.467 200 1HG1 VAL 91 1HG1 VAL 91 7.865 -2.173 -2.173 201 2HG1 VAL 91 3HG1 VAL 91 6.610 -1.660 -1.660 202 3HG1 VAL 91 2HG1 VAL 91 6.168 -2.253 -2.253 203 1HG2 VAL 91 1HG2 VAL 91 5.388 -3.521 -3.521 204 2HG2 VAL 91 3HG2 VAL 91 5.288 -5.087 -5.087 205 3HG2 VAL 91 2HG2 VAL 91 4.641 -3.647 -3.647 206 H GLU 92 H GLU 92 9.588 -5.697 -5.697 207 HA GLU 92 HA GLU 92 9.139 -7.846 -7.846 208 1HB GLU 92 2HB GLU 92 10.683 -9.099 -9.099 209 2HB GLU 92 1HB GLU 92 11.289 -7.461 -7.461 210 1HG GLU 92 2HG GLU 92 10.054 -7.051 -7.051 211 2HG GLU 92 1HG GLU 92 10.182 -8.803 -8.803 212 H VAL 93 H VAL 93 7.791 -9.560 -9.560 213 HA VAL 93 HA VAL 93 6.392 -10.073 -10.073 214 HB VAL 93 HB VAL 93 4.245 -10.360 -10.360 215 1HG1 VAL 93 3HG1 VAL 93 5.590 -7.887 -7.887 216 2HG1 VAL 93 2HG1 VAL 93 4.385 -7.653 -7.653 217 3HG1 VAL 93 1HG1 VAL 93 3.915 -8.362 -8.362 218 1HG2 VAL 93 1HG2 VAL 93 5.533 -10.524 -10.524 219 2HG2 VAL 93 3HG2 VAL 93 3.935 -9.780 -9.780 220 3HG2 VAL 93 2HG2 VAL 93 5.379 -8.767 -8.767 221 H PHE 94 H PHE 94 5.074 -12.146 -12.146 222 HA PHE 94 HA PHE 94 6.769 -14.172 -14.172 223 1HB PHE 94 1HB PHE 94 4.746 -14.183 -14.183 224 2HB PHE 94 2HB PHE 94 5.161 -15.692 -15.692 225 HD1 PHE 94 HD1 PHE 94 6.630 -12.825 -12.825 226 HD2 PHE 94 HD2 PHE 94 7.071 -16.874 -16.874 227 HE1 PHE 94 HE1 PHE 94 8.608 -13.044 -13.044 228 HE2 PHE 94 HE2 PHE 94 9.051 -17.101 -17.101 229 HZ PHE 94 HZ PHE 94 9.821 -15.185 -15.185 230 H GLU 95 H GLU 95 4.530 -12.465 -12.465 231 HA GLU 95 HA GLU 95 3.566 -14.611 -14.611 232 1HB GLU 95 1HB GLU 95 1.705 -13.041 -13.041 233 2HB GLU 95 2HB GLU 95 1.149 -13.791 -13.791 234 1HG GLU 95 1HG GLU 95 0.664 -15.488 -15.488 235 2HG GLU 95 2HG GLU 95 2.355 -15.899 -15.899 236 H SER 96 H SER 96 3.784 -13.890 -13.890 237 HA SER 96 HA SER 96 3.730 -11.010 -11.010 238 1HB SER 96 1HB SER 96 4.503 -11.926 -11.926 239 2HB SER 96 2HB SER 96 5.638 -11.825 -11.825 240 HG SER 96 HG SER 96 5.900 -13.859 -13.859 241 H ARG 97 H ARG 97 1.312 -12.724 -12.724 242 HA ARG 97 HA ARG 97 -0.288 -11.574 -11.574 243 1HB ARG 97 2HB ARG 97 0.509 -13.458 -13.458 244 2HB ARG 97 1HB ARG 97 0.097 -14.571 -14.571 245 1HG ARG 97 2HG ARG 97 -1.652 -14.870 -14.870 246 2HG ARG 97 1HG ARG 97 -2.314 -13.670 -13.670 247 1HD ARG 97 2HD ARG 97 -0.849 -12.589 -12.589 248 2HD ARG 97 1HD ARG 97 -2.352 -13.431 -13.431 249 HE ARG 97 HE ARG 97 -2.084 -10.878 -10.878 250 1HH1 ARG 97 1HH1 ARG 97 -4.083 -13.723 -13.723 251 2HH1 ARG 97 2HH1 ARG 97 -5.531 -12.894 -12.894 252 1HH2 ARG 97 1HH2 ARG 97 -3.986 -9.776 -9.776 253 2HH2 ARG 97 2HH2 ARG 97 -5.476 -10.649 -10.649 254 H GLY 98 H GLY 98 -2.128 -11.029 -11.029 255 1HA GLY 98 1HA GLY 98 -4.041 -12.392 -12.392 256 2HA GLY 98 2HA GLY 98 -2.864 -12.325 -12.325 257 H MET 99 H MET 99 -5.497 -10.822 -10.822 258 HA MET 99 HA MET 99 -5.088 -8.115 -8.115 259 1HB MET 99 2HB MET 99 -7.201 -9.436 -9.436 260 2HB MET 99 1HB MET 99 -7.617 -9.387 -9.387 261 1HG MET 99 1HG MET 99 -6.876 -6.815 -6.815 262 2HG MET 99 2HG MET 99 -8.388 -7.538 -7.538 263 1HE MET 99 3HE MET 99 -7.481 -4.828 -4.828 264 2HE MET 99 2HE MET 99 -8.074 -4.805 -4.805 265 3HE MET 99 1HE MET 99 -6.577 -5.653 -5.653 266 H GLN 100 H GLN 100 -5.663 -10.448 -10.448 267 HA GLN 100 HA GLN 100 -6.088 -8.611 -8.611 268 1HB GLN 100 1HB GLN 100 -4.824 -11.336 -11.336 269 2HB GLN 100 2HB GLN 100 -5.762 -10.451 -10.451 270 1HG GLN 100 2HG GLN 100 -7.678 -10.611 -10.611 271 2HG GLN 100 1HG GLN 100 -6.701 -11.888 -11.888 272 1HE2 GLN 100 2HE2 GLN 100 -8.116 -12.477 -12.477 273 2HE2 GLN 100 1HE2 GLN 100 -7.625 -10.903 -10.903 274 H VAL 101 H VAL 101 -3.139 -10.109 -10.109 275 HA VAL 101 HA VAL 101 -1.355 -9.234 -9.234 276 HB VAL 101 HB VAL 101 -0.797 -9.607 -9.607 277 1HG1 VAL 101 2HG1 VAL 101 0.852 -8.669 -8.669 278 2HG1 VAL 101 1HG1 VAL 101 1.419 -10.266 -10.266 279 3HG1 VAL 101 3HG1 VAL 101 1.285 -8.977 -8.977 280 1HG2 VAL 101 2HG2 VAL 101 -1.006 -11.502 -11.502 281 2HG2 VAL 101 1HG2 VAL 101 -1.564 -11.680 -11.680 282 3HG2 VAL 101 3HG2 VAL 101 0.153 -11.830 -11.830 283 H CYS 102 H CYS 102 -2.709 -7.566 -7.566 284 HA CYS 102 HA CYS 102 -0.935 -5.344 -5.344 285 1HB CYS 102 1HB CYS 102 -3.736 -5.482 -5.482 286 2HB CYS 102 2HB CYS 102 -2.514 -4.274 -4.274 287 HG CYS 102 HG CYS 102 -2.836 -6.545 -6.545 288 H GLU 103 H GLU 103 -4.085 -6.020 -6.020 289 HA GLU 103 HA GLU 103 -4.681 -3.468 -3.468 290 1HB GLU 103 1HB GLU 103 -5.638 -6.162 -6.162 291 2HB GLU 103 2HB GLU 103 -5.605 -5.289 -5.289 292 1HG GLU 103 1HG GLU 103 -6.798 -3.419 -3.419 293 2HG GLU 103 2HG GLU 103 -7.185 -4.733 -4.733 294 H GLU 104 H GLU 104 -2.537 -5.941 -5.941 295 HA GLU 104 HA GLU 104 -2.041 -4.416 -4.416 296 1HB GLU 104 1HB GLU 104 -0.693 -6.332 -6.332 297 2HB GLU 104 2HB GLU 104 -2.294 -6.849 -6.849 298 1HG GLU 104 1HG GLU 104 -1.455 -7.678 -7.678 299 2HG GLU 104 2HG GLU 104 0.127 -6.952 -6.952 300 H ALA 105 H ALA 105 -0.445 -5.385 -5.385 301 HA ALA 105 HA ALA 105 2.169 -4.690 -4.690 302 1HB ALA 105 1HB ALA 105 1.438 -5.734 -5.734 303 2HB ALA 105 3HB ALA 105 0.653 -4.231 -4.231 304 3HB ALA 105 2HB ALA 105 2.407 -4.295 -4.295 305 H LEU 106 H LEU 106 -0.423 -2.557 -2.557 306 HA LEU 106 HA LEU 106 0.970 -0.195 -0.195 307 1HB LEU 106 1HB LEU 106 -1.606 -0.899 -0.899 308 2HB LEU 106 2HB LEU 106 -1.712 -0.032 -0.032 309 HG LEU 106 HG LEU 106 -0.406 1.218 1.218 310 1HD1 LEU 106 1HD1 LEU 106 -3.337 1.017 1.017 311 2HD1 LEU 106 3HD1 LEU 106 -2.665 2.316 2.316 312 3HD1 LEU 106 2HD1 LEU 106 -2.509 0.639 0.639 313 1HD2 LEU 106 3HD2 LEU 106 -0.789 1.992 1.992 314 2HD2 LEU 106 2HD2 LEU 106 -0.227 2.992 2.992 315 3HD2 LEU 106 1HD2 LEU 106 -1.944 2.932 2.932 316 H LYS 107 H LYS 107 -0.648 -1.454 -1.454 317 HA LYS 107 HA LYS 107 0.065 0.635 0.635 318 1HB LYS 107 1HB LYS 107 -1.606 -0.886 -0.886 319 2HB LYS 107 2HB LYS 107 -0.567 -2.277 -2.277 320 1HG LYS 107 2HG LYS 107 0.391 -0.288 -0.288 321 2HG LYS 107 1HG LYS 107 -1.031 -1.232 -1.232 322 1HD LYS 107 2HD LYS 107 1.318 -2.657 -2.657 323 2HD LYS 107 1HD LYS 107 1.410 -2.088 -2.088 324 1HE LYS 107 1HE LYS 107 -1.054 -3.251 -3.251 325 2HE LYS 107 2HE LYS 107 -0.149 -4.281 -4.281 326 1HZ LYS 107 2HZ LYS 107 0.887 -3.577 -3.577 327 2HZ LYS 107 1HZ LYS 107 -0.121 -4.913 -4.913 328 3HZ LYS 107 3HZ LYS 107 1.382 -4.833 -4.833 329 H VAL 108 H VAL 108 1.696 -2.394 -2.394 330 HA VAL 108 HA VAL 108 3.870 -2.076 -2.076 331 HB VAL 108 HB VAL 108 4.141 -3.552 -3.552 332 1HG1 VAL 108 2HG1 VAL 108 5.158 -3.973 -3.973 333 2HG1 VAL 108 1HG1 VAL 108 5.379 -5.130 -5.130 334 3HG1 VAL 108 3HG1 VAL 108 6.092 -3.521 -3.521 335 1HG2 VAL 108 2HG2 VAL 108 2.087 -3.990 -3.990 336 2HG2 VAL 108 1HG2 VAL 108 2.332 -4.779 -4.779 337 3HG2 VAL 108 3HG2 VAL 108 3.159 -5.384 -5.384 338 H LEU 109 H LEU 109 3.259 -0.972 -0.972 339 HA LEU 109 HA LEU 109 5.805 -0.219 -0.219 340 1HB LEU 109 1HB LEU 109 3.074 0.507 0.507 341 2HB LEU 109 2HB LEU 109 4.183 1.850 1.850 342 HG LEU 109 HG LEU 109 3.996 0.712 0.712 343 1HD1 LEU 109 1HD2 LEU 109 6.513 0.722 0.722 344 2HD1 LEU 109 3HD2 LEU 109 6.492 -0.378 -0.378 345 3HD1 LEU 109 2HD2 LEU 109 6.136 1.334 1.334 346 1HD2 LEU 109 1HD1 LEU 109 4.585 -1.751 -1.751 347 2HD2 LEU 109 3HD1 LEU 109 3.203 -1.424 -1.424 348 3HD2 LEU 109 2HD1 LEU 109 4.801 -1.693 -1.693 349 H ARG 110 H ARG 110 3.689 1.186 1.186 350 HA ARG 110 HA ARG 110 5.341 3.569 3.569 351 1HB ARG 110 2HB ARG 110 2.733 3.407 3.407 352 2HB ARG 110 1HB ARG 110 3.072 2.857 2.857 353 1HG ARG 110 2HG ARG 110 2.964 5.039 5.039 354 2HG ARG 110 1HG ARG 110 4.622 5.066 5.066 355 1HD ARG 110 2HD ARG 110 3.343 5.383 5.383 356 2HD ARG 110 1HD ARG 110 2.130 6.078 6.078 357 HE ARG 110 HE ARG 110 4.802 7.080 7.080 358 1HH1 ARG 110 1HH1 ARG 110 1.806 7.466 7.466 359 2HH1 ARG 110 2HH1 ARG 110 2.067 9.145 9.145 360 1HH2 ARG 110 2HH2 ARG 110 5.158 9.289 9.289 361 2HH2 ARG 110 1HH2 ARG 110 3.974 10.182 10.182 362 H GLN 111 H GLN 111 4.774 0.489 0.489 363 HA GLN 111 HA GLN 111 6.335 1.192 1.192 364 1HB GLN 111 1HB GLN 111 4.729 -1.229 -1.229 365 2HB GLN 111 2HB GLN 111 5.788 -1.238 -1.238 366 1HG GLN 111 1HG GLN 111 4.101 1.079 1.079 367 2HG GLN 111 2HG GLN 111 3.133 -0.379 -0.379 368 1HE2 GLN 111 2HE2 GLN 111 4.642 -1.758 -1.758 369 2HE2 GLN 111 1HE2 GLN 111 4.656 -2.188 -2.188 370 H SER 112 H SER 112 7.408 0.859 0.859 371 HA SER 112 HA SER 112 9.487 -1.121 -1.121 372 1HB SER 112 1HB SER 112 7.765 -1.105 -1.105 373 2HB SER 112 2HB SER 112 9.326 -0.572 -0.572 374 HG SER 112 HG SER 112 8.692 -2.977 -2.977 375 H ARG 113 H ARG 113 11.632 -0.604 -0.604 376 HA ARG 113 HA ARG 113 12.450 2.005 2.005 377 1HB ARG 113 2HB ARG 113 14.646 1.260 1.260 378 2HB ARG 113 1HB ARG 113 14.036 0.258 0.258 379 1HG ARG 113 1HG ARG 113 14.441 -1.455 -1.455 380 2HG ARG 113 2HG ARG 113 12.975 -0.959 -0.959 381 1HD ARG 113 2HD ARG 113 14.542 0.617 0.617 382 2HD ARG 113 1HD ARG 113 15.836 -0.413 -0.413 383 HE ARG 113 HE ARG 113 13.929 -1.060 -1.060 384 1HH1 ARG 113 1HH2 ARG 113 16.059 -2.352 -2.352 385 2HH1 ARG 113 2HH2 ARG 113 16.224 -3.892 -3.892 386 1HH2 ARG 113 2HH1 ARG 113 14.138 -3.083 -3.083 387 2HH2 ARG 113 1HH1 ARG 113 15.131 -4.308 -4.308 388 H ARG 114 H ARG 114 11.329 0.483 0.483 389 HA ARG 114 HA ARG 114 12.392 1.882 1.882 390 1HB ARG 114 1HB ARG 114 10.357 1.433 1.433 391 2HB ARG 114 2HB ARG 114 10.674 0.085 0.085 392 1HG ARG 114 2HG ARG 114 8.382 0.445 0.445 393 2HG ARG 114 1HG ARG 114 9.065 1.194 1.194 394 1HD ARG 114 1HD ARG 114 8.890 3.023 3.023 395 2HD ARG 114 2HD ARG 114 7.325 2.397 2.397 396 HE ARG 114 HE ARG 114 8.767 3.228 3.228 397 1HH1 ARG 114 2HH2 ARG 114 7.159 4.552 4.552 398 2HH1 ARG 114 1HH2 ARG 114 6.774 6.052 6.052 399 1HH2 ARG 114 2HH1 ARG 114 8.260 5.202 5.202 400 2HH2 ARG 114 1HH1 ARG 114 7.396 6.422 6.422 401 H ARG 115 H ARG 115 11.194 3.626 3.626 402 HA ARG 115 HA ARG 115 10.072 5.714 5.714 403 1HB ARG 115 1HB ARG 115 11.529 7.407 7.407 404 2HB ARG 115 2HB ARG 115 12.526 6.098 6.098 405 1HG ARG 115 2HG ARG 115 12.728 5.236 5.236 406 2HG ARG 115 1HG ARG 115 11.883 6.683 6.683 407 1HD ARG 115 1HD ARG 115 14.390 6.789 6.789 408 2HD ARG 115 2HD ARG 115 14.410 6.750 6.750 409 HE ARG 115 HE ARG 115 12.703 8.809 8.809 410 1HH1 ARG 115 2HH1 ARG 115 16.086 7.987 7.987 411 2HH1 ARG 115 1HH1 ARG 115 16.617 9.634 9.634 412 1HH2 ARG 115 1HH2 ARG 115 13.392 10.982 10.982 413 2HH2 ARG 115 2HH2 ARG 115 15.087 11.337 11.337 414 HA PRO 116 HA PRO 116 7.354 6.259 6.259 415 1HB PRO 116 2HB PRO 116 6.318 8.675 8.675 416 2HB PRO 116 1HB PRO 116 5.983 7.274 7.274 417 1HG PRO 116 1HG PRO 116 7.907 9.527 9.527 418 2HG PRO 116 2HG PRO 116 6.853 8.719 8.719 419 1HD PRO 116 2HD PRO 116 9.541 8.188 8.188 420 2HD PRO 116 1HD PRO 116 8.367 7.053 7.053 421 H VAL 117 H VAL 117 6.698 8.078 8.078 422 HA VAL 117 HA VAL 117 9.001 9.689 9.689 423 HB VAL 117 HB VAL 117 8.883 7.327 7.327 424 1HG1 VAL 117 2HG2 VAL 117 6.460 7.814 7.814 425 2HG1 VAL 117 1HG2 VAL 117 7.203 8.796 8.796 426 3HG1 VAL 117 3HG2 VAL 117 7.565 7.073 7.073 427 1HG2 VAL 117 1HG1 VAL 117 9.927 9.854 9.854 428 2HG2 VAL 117 3HG1 VAL 117 10.540 8.251 8.251 429 3HG2 VAL 117 2HG1 VAL 117 9.382 9.047 9.047 430 H ARG 118 H ARG 118 8.172 10.776 10.776 431 HA ARG 118 HA ARG 118 5.421 11.492 11.492 432 1HB ARG 118 2HB ARG 118 6.266 12.799 12.799 433 2HB ARG 118 1HB ARG 118 7.362 13.637 13.637 434 1HG ARG 118 1HG ARG 118 4.664 13.711 13.711 435 2HG ARG 118 2HG ARG 118 4.754 14.349 14.349 436 1HD ARG 118 2HD ARG 118 5.475 16.263 16.263 437 2HD ARG 118 1HD ARG 118 6.964 15.424 15.424 438 HE ARG 118 HE ARG 118 6.333 15.613 15.613 439 1HH1 ARG 118 2HH1 ARG 118 3.471 15.729 15.729 440 2HH1 ARG 118 1HH1 ARG 118 2.400 15.998 15.998 441 1HH2 ARG 118 2HH2 ARG 118 4.933 15.967 15.967 442 2HH2 ARG 118 1HH2 ARG 118 3.232 16.134 16.134 443 H GLY 119 H GLY 119 5.468 11.078 11.078 444 1HA GLY 119 2HA GLY 119 6.645 13.165 13.165 445 2HA GLY 119 1HA GLY 119 7.359 11.578 11.578 446 H LEU 120 H LEU 120 6.647 10.856 10.856 447 HA LEU 120 HA LEU 120 3.746 10.950 10.950 448 1HB LEU 120 2HB LEU 120 5.780 12.155 12.155 449 2HB LEU 120 1HB LEU 120 5.330 10.729 10.729 450 HG LEU 120 HG LEU 120 3.739 13.185 13.185 451 1HD1 LEU 120 3HD1 LEU 120 5.032 12.471 12.471 452 2HD1 LEU 120 2HD1 LEU 120 3.581 11.511 11.511 453 3HD1 LEU 120 1HD1 LEU 120 3.460 13.261 13.261 454 1HD2 LEU 120 1HD2 LEU 120 2.662 10.434 10.434 455 2HD2 LEU 120 3HD2 LEU 120 2.029 11.901 11.901 456 3HD2 LEU 120 2HD2 LEU 120 1.804 11.624 11.624 457 H LEU 121 H LEU 121 2.792 9.051 9.051 458 HA LEU 121 HA LEU 121 4.519 6.710 6.710 459 1HB LEU 121 1HB LEU 121 2.947 6.679 6.679 460 2HB LEU 121 2HB LEU 121 1.609 6.795 6.795 461 HG LEU 121 HG LEU 121 3.562 4.550 4.550 462 1HD1 LEU 121 2HD2 LEU 121 1.720 4.956 4.956 463 2HD1 LEU 121 1HD2 LEU 121 1.650 3.376 3.376 464 3HD1 LEU 121 3HD2 LEU 121 3.176 3.966 3.966 465 1HD2 LEU 121 1HD1 LEU 121 0.646 4.982 4.982 466 2HD2 LEU 121 3HD1 LEU 121 1.959 4.731 4.731 467 3HD2 LEU 121 2HD1 LEU 121 1.429 3.406 3.406 468 H HIS 122 H HIS 122 4.790 6.128 6.128 469 HA HIS 122 HA HIS 122 3.013 6.972 6.972 470 1HB HIS 122 2HB HIS 122 5.546 5.362 5.362 471 2HB HIS 122 1HB HIS 122 4.594 5.421 5.421 472 HD1 HIS 122 HD1 HIS 122 5.013 7.395 7.395 473 HD2 HIS 122 HD2 HIS 122 6.420 7.994 7.994 474 HE1 HIS 122 HE1 HIS 122 6.277 9.586 9.586 475 H VAL 123 H VAL 123 1.147 6.027 6.027 476 HA VAL 123 HA VAL 123 0.928 3.105 3.105 477 HB VAL 123 HB VAL 123 -1.233 5.216 5.216 478 1HG1 VAL 123 3HG1 VAL 123 -1.967 3.110 3.110 479 2HG1 VAL 123 2HG1 VAL 123 -1.547 2.240 2.240 480 3HG1 VAL 123 1HG1 VAL 123 -2.817 3.463 3.463 481 1HG2 VAL 123 1HG2 VAL 123 0.135 3.497 3.497 482 2HG2 VAL 123 3HG2 VAL 123 -0.133 5.241 5.241 483 3HG2 VAL 123 2HG2 VAL 123 -1.484 4.140 4.140 484 H SER 124 H SER 124 1.508 2.430 2.430 485 HA SER 124 HA SER 124 -0.053 3.546 3.546 486 1HB SER 124 2HB SER 124 1.928 2.180 2.180 487 2HB SER 124 1HB SER 124 2.059 3.879 3.879 488 HG SER 124 HG SER 124 3.748 2.192 2.192 489 H GLY 125 H GLY 125 -0.884 1.434 1.434 490 1HA GLY 125 2HA GLY 125 -1.835 -0.665 -0.665 491 2HA GLY 125 1HA GLY 125 -2.284 -0.244 -0.244 492 H ASP 126 H ASP 126 1.041 -0.470 -0.470 493 HA ASP 126 HA ASP 126 1.283 -3.146 -3.146 494 1HB ASP 126 2HB ASP 126 1.657 -1.534 -1.534 495 2HB ASP 126 1HB ASP 126 2.938 -0.775 -0.775 496 H GLY 127 H GLY 127 2.905 -0.460 -0.460 497 1HA GLY 127 2HA GLY 127 4.109 -2.330 -2.330 498 2HA GLY 127 1HA GLY 127 5.258 -1.504 -1.504 499 H LEU 128 H LEU 128 3.889 -1.438 -1.438 500 HA LEU 128 HA LEU 128 3.423 1.362 1.362 501 1HB LEU 128 2HB LEU 128 3.470 -1.058 -1.058 502 2HB LEU 128 1HB LEU 128 3.888 0.426 0.426 503 HG LEU 128 HG LEU 128 1.752 1.152 1.152 504 1HD1 LEU 128 3HD2 LEU 128 1.679 0.264 0.264 505 2HD1 LEU 128 2HD2 LEU 128 0.139 0.371 0.371 506 3HD1 LEU 128 1HD2 LEU 128 1.178 1.791 1.791 507 1HD2 LEU 128 3HD1 LEU 128 1.674 -1.168 -1.168 508 2HD2 LEU 128 2HD1 LEU 128 0.135 -0.623 -0.623 509 3HD2 LEU 128 1HD1 LEU 128 1.171 -1.700 -1.700 510 H ARG 129 H ARG 129 4.876 2.912 2.912 511 HA ARG 129 HA ARG 129 7.508 2.251 2.251 512 1HB ARG 129 1HB ARG 129 7.042 3.956 3.956 513 2HB ARG 129 2HB ARG 129 8.599 3.654 3.654 514 1HG ARG 129 1HG ARG 129 7.274 1.174 1.174 515 2HG ARG 129 2HG ARG 129 7.409 2.197 2.197 516 1HD ARG 129 1HD ARG 129 9.763 1.802 1.802 517 2HD ARG 129 2HD ARG 129 9.345 0.574 0.574 518 HE ARG 129 HE ARG 129 10.477 3.176 3.176 519 1HH1 ARG 129 2HH1 ARG 129 8.704 0.492 0.492 520 2HH1 ARG 129 1HH1 ARG 129 9.147 0.845 0.845 521 1HH2 ARG 129 2HH2 ARG 129 11.067 3.650 3.650 522 2HH2 ARG 129 1HH2 ARG 129 10.491 2.641 2.641 523 H VAL 130 H VAL 130 7.296 3.298 3.298 524 HA VAL 130 HA VAL 130 6.162 5.973 5.973 525 HB VAL 130 HB VAL 130 5.515 4.401 4.401 526 1HG1 VAL 130 2HG2 VAL 130 7.564 3.085 3.085 527 2HG1 VAL 130 1HG2 VAL 130 8.427 4.459 4.459 528 3HG1 VAL 130 3HG2 VAL 130 7.132 3.684 3.684 529 1HG2 VAL 130 3HG1 VAL 130 6.590 7.026 7.026 530 2HG2 VAL 130 2HG1 VAL 130 5.218 6.249 6.249 531 3HG2 VAL 130 1HG1 VAL 130 6.844 6.048 6.048 532 H VAL 131 H VAL 131 7.295 7.791 7.791 533 HA VAL 131 HA VAL 131 10.195 7.617 7.617 534 HB VAL 131 HB VAL 131 8.759 9.644 9.644 535 1HG1 VAL 131 1HG1 VAL 131 11.628 9.263 9.263 536 2HG1 VAL 131 3HG1 VAL 131 11.191 10.082 10.082 537 3HG1 VAL 131 2HG1 VAL 131 10.647 10.728 10.728 538 1HG2 VAL 131 2HG2 VAL 131 9.812 6.998 6.998 539 2HG2 VAL 131 1HG2 VAL 131 8.772 8.041 8.041 540 3HG2 VAL 131 3HG2 VAL 131 10.522 8.252 8.252 541 H ASP 132 H ASP 132 11.176 9.425 9.425 542 HA ASP 132 HA ASP 132 9.310 10.731 10.731 543 1HB ASP 132 2HB ASP 132 11.125 9.329 9.329 544 2HB ASP 132 1HB ASP 132 12.309 10.414 10.414 545 H ASP 133 H ASP 133 9.126 12.898 12.898 546 HA ASP 133 HA ASP 133 10.215 14.479 14.479 547 1HB ASP 133 2HB ASP 133 8.085 14.711 14.711 548 2HB ASP 133 1HB ASP 133 9.046 16.186 16.186 549 H GLU 134 H GLU 134 11.621 13.460 13.460 550 HA GLU 134 HA GLU 134 13.062 15.972 15.972 551 1HB GLU 134 1HB GLU 134 11.989 14.726 14.726 552 2HB GLU 134 2HB GLU 134 13.213 13.486 13.486 553 1HG GLU 134 2HG GLU 134 13.922 14.930 14.930 554 2HG GLU 134 1HG GLU 134 14.958 15.205 15.205 555 H THR 135 H THR 135 13.454 12.650 12.650 556 HA THR 135 HA THR 135 16.306 13.183 13.183 557 HB THR 135 HB THR 135 16.634 10.730 10.730 558 HG1 THR 135 1HG THR 135 14.967 9.484 9.484 559 1HG2 THR 135 2HG2 THR 135 16.497 12.357 12.357 560 2HG2 THR 135 1HG2 THR 135 15.252 11.183 11.183 561 3HG2 THR 135 3HG2 THR 135 16.898 10.643 10.643 562 H LYS 136 H LYS 136 13.276 12.077 12.077 563 HA LYS 136 HA LYS 136 12.575 11.775 11.775 564 1HB LYS 136 2HB LYS 136 14.787 13.592 13.592 565 2HB LYS 136 1HB LYS 136 14.814 12.488 12.488 566 1HG LYS 136 2HG LYS 136 13.558 14.545 14.545 567 2HG LYS 136 1HG LYS 136 12.558 13.096 13.096 568 1HD LYS 136 1HD LYS 136 12.021 13.624 13.624 569 2HD LYS 136 2HD LYS 136 12.519 15.253 15.253 570 1HE LYS 136 1HE LYS 136 10.700 14.024 14.024 571 2HE LYS 136 2HE LYS 136 10.002 14.193 14.193 572 1HZ LYS 136 1HZ LYS 136 10.855 16.576 16.576 573 2HZ LYS 136 3HZ LYS 136 11.023 16.309 16.309 574 3HZ LYS 136 2HZ LYS 136 9.502 16.183 16.183 575 H GLY 137 H GLY 137 14.060 9.741 9.741 576 1HA GLY 137 2HA GLY 137 15.494 8.294 8.294 577 2HA GLY 137 1HA GLY 137 15.448 7.870 7.870 578 H LEU 138 H LEU 138 14.576 5.921 5.921 579 HA LEU 138 HA LEU 138 11.888 5.457 5.457 580 1HB LEU 138 1HB LEU 138 13.521 4.860 4.860 581 2HB LEU 138 2HB LEU 138 14.016 3.519 3.519 582 HG LEU 138 HG LEU 138 11.914 2.461 2.461 583 1HD1 LEU 138 2HD1 LEU 138 10.951 5.151 5.151 584 2HD1 LEU 138 1HD1 LEU 138 10.079 3.705 3.705 585 3HD1 LEU 138 3HD1 LEU 138 10.286 4.049 4.049 586 1HD2 LEU 138 2HD2 LEU 138 13.302 2.283 2.283 587 2HD2 LEU 138 1HD2 LEU 138 11.582 2.225 2.225 588 3HD2 LEU 138 3HD2 LEU 138 12.502 3.702 3.702 589 H ILE 139 H ILE 139 10.808 4.118 4.118 590 HA ILE 139 HA ILE 139 12.380 2.793 2.793 591 HB ILE 139 HB ILE 139 9.438 3.311 3.311 592 1HG1 ILE 139 2HG1 ILE 139 11.633 5.265 5.265 593 2HG1 ILE 139 1HG1 ILE 139 10.504 5.464 5.464 594 1HG2 ILE 139 1HG2 ILE 139 11.706 2.784 2.784 595 2HG2 ILE 139 3HG2 ILE 139 10.225 3.552 3.552 596 3HG2 ILE 139 2HG2 ILE 139 10.164 1.943 1.943 597 1HD1 ILE 139 2HD1 ILE 139 9.462 5.106 5.106 598 2HD1 ILE 139 1HD1 ILE 139 10.080 6.674 6.674 599 3HD1 ILE 139 3HD1 ILE 139 8.734 5.927 5.927 600 H VAL 140 H VAL 140 9.358 2.350 2.350 601 HA VAL 140 HA VAL 140 9.722 -0.552 -0.552 602 HB VAL 140 HB VAL 140 7.160 0.790 0.790 603 1HG1 VAL 140 1HG1 VAL 140 8.005 -1.886 -1.886 604 2HG1 VAL 140 3HG1 VAL 140 6.891 -1.657 -1.657 605 3HG1 VAL 140 2HG1 VAL 140 6.375 -1.280 -1.280 606 1HG2 VAL 140 3HG2 VAL 140 8.061 0.084 0.084 607 2HG2 VAL 140 2HG2 VAL 140 7.717 1.698 1.698 608 3HG2 VAL 140 1HG2 VAL 140 6.413 0.523 0.523 609 H ASP 141 H ASP 141 11.330 -0.273 -0.273 610 HA ASP 141 HA ASP 141 10.313 0.287 0.287 611 1HB ASP 141 1HB ASP 141 12.552 -0.262 -0.262 612 2HB ASP 141 2HB ASP 141 12.660 0.772 0.772 613 H GLN 142 H GLN 142 8.585 -1.473 -1.473 614 HA GLN 142 HA GLN 142 9.473 -4.004 -4.004 615 1HB GLN 142 2HB GLN 142 8.577 -3.629 -3.629 616 2HB GLN 142 1HB GLN 142 7.233 -4.377 -4.377 617 1HG GLN 142 2HG GLN 142 8.824 -6.133 -6.133 618 2HG GLN 142 1HG GLN 142 10.034 -5.430 -5.430 619 1HE2 GLN 142 2HE2 GLN 142 8.746 -8.058 -8.058 620 2HE2 GLN 142 1HE2 GLN 142 9.870 -7.743 -7.743 621 H THR 143 H THR 143 7.691 -5.290 -5.290 622 HA THR 143 HA THR 143 6.010 -3.640 -3.640 623 HB THR 143 HB THR 143 5.821 -6.634 -6.634 624 HG1 THR 143 1HG THR 143 7.772 -6.862 -6.862 625 1HG2 THR 143 2HG2 THR 143 5.225 -4.565 -4.565 626 2HG2 THR 143 1HG2 THR 143 5.940 -6.063 -6.063 627 3HG2 THR 143 3HG2 THR 143 4.434 -6.109 -6.109 628 H ILE 144 H ILE 144 3.651 -4.485 -4.485 629 HA ILE 144 HA ILE 144 2.396 -4.434 -4.434 630 HB ILE 144 HB ILE 144 1.764 -2.752 -2.752 631 1HG1 ILE 144 1HG1 ILE 144 -0.719 -4.266 -4.266 632 2HG1 ILE 144 2HG1 ILE 144 0.298 -3.826 -3.826 633 1HG2 ILE 144 3HG2 ILE 144 1.679 -4.778 -4.778 634 2HG2 ILE 144 2HG2 ILE 144 -0.024 -4.723 -4.723 635 3HG2 ILE 144 1HG2 ILE 144 0.757 -3.290 -3.290 636 1HD1 ILE 144 1HD1 ILE 144 0.137 -1.499 -1.499 637 2HD1 ILE 144 3HD1 ILE 144 -1.481 -2.193 -2.193 638 3HD1 ILE 144 2HD1 ILE 144 -0.762 -1.881 -1.881 639 H GLU 145 H GLU 145 2.939 -6.537 -6.537 640 HA GLU 145 HA GLU 145 0.791 -8.351 -8.351 641 1HB GLU 145 1HB GLU 145 1.405 -9.639 -9.639 642 2HB GLU 145 2HB GLU 145 1.301 -7.943 -7.943 643 1HG GLU 145 2HG GLU 145 3.226 -8.546 -8.546 644 2HG GLU 145 1HG GLU 145 3.872 -7.971 -7.971 645 H LYS 146 H LYS 146 4.316 -8.178 -8.178 646 HA LYS 146 HA LYS 146 4.696 -10.820 -10.820 647 1HB LYS 146 1HB LYS 146 6.338 -8.711 -8.711 648 2HB LYS 146 2HB LYS 146 6.888 -9.101 -9.101 649 1HG LYS 146 1HG LYS 146 6.409 -11.317 -11.317 650 2HG LYS 146 2HG LYS 146 7.867 -10.334 -10.334 651 1HD LYS 146 2HD LYS 146 8.601 -10.911 -10.911 652 2HD LYS 146 1HD LYS 146 7.043 -11.633 -11.633 653 1HE LYS 146 2HE LYS 146 7.480 -13.284 -13.284 654 2HE LYS 146 1HE LYS 146 9.131 -12.665 -12.665 655 1HZ LYS 146 3HZ LYS 146 8.134 -13.429 -13.429 656 2HZ LYS 146 2HZ LYS 146 8.332 -14.705 -14.705 657 3HZ LYS 146 1HZ LYS 146 9.645 -13.709 -13.709 658 H VAL 147 H VAL 147 4.134 -7.683 -7.683 659 HA VAL 147 HA VAL 147 4.937 -8.346 -8.346 660 HB VAL 147 HB VAL 147 4.941 -6.032 -6.032 661 1HG1 VAL 147 3HG2 VAL 147 1.953 -6.368 -6.368 662 2HG1 VAL 147 2HG2 VAL 147 2.800 -4.825 -4.825 663 3HG1 VAL 147 1HG2 VAL 147 3.070 -6.073 -6.073 664 1HG2 VAL 147 2HG1 VAL 147 4.502 -6.705 -6.705 665 2HG2 VAL 147 1HG1 VAL 147 4.191 -5.036 -5.036 666 3HG2 VAL 147 3HG1 VAL 147 2.850 -6.167 -6.167 667 H SER 148 H SER 148 3.371 -8.278 -8.278 668 HA SER 148 HA SER 148 1.343 -10.224 -10.224 669 1HB SER 148 1HB SER 148 2.823 -9.605 -9.605 670 2HB SER 148 2HB SER 148 1.429 -8.595 -8.595 671 HG SER 148 HG SER 148 1.708 -11.240 -11.240 672 H PHE 149 H PHE 149 1.226 -7.006 -7.006 673 HA PHE 149 HA PHE 149 -0.530 -5.726 -5.726 674 1HB PHE 149 2HB PHE 149 -2.491 -7.615 -7.615 675 2HB PHE 149 1HB PHE 149 -2.733 -6.543 -6.543 676 HD1 PHE 149 HD1 PHE 149 -0.090 -7.355 -7.355 677 HD2 PHE 149 HD2 PHE 149 -3.313 -9.571 -9.571 678 HE1 PHE 149 HE1 PHE 149 0.397 -9.217 -9.217 679 HE2 PHE 149 HE2 PHE 149 -2.833 -11.436 -11.436 680 HZ PHE 149 HZ PHE 149 -0.976 -11.262 -11.262 681 H CYS 150 H CYS 150 -2.616 -4.663 -4.663 682 HA CYS 150 HA CYS 150 -1.691 -3.788 -3.788 683 1HB CYS 150 1HB CYS 150 -3.036 -1.809 -1.809 684 2HB CYS 150 2HB CYS 150 -2.048 -2.083 -2.083 685 HG CYS 150 HG CYS 150 -4.506 -1.482 -1.482 686 H ALA 151 H ALA 151 -3.671 -2.951 -2.951 687 HA ALA 151 HA ALA 151 -6.092 -4.405 -4.405 688 1HB ALA 151 2HB ALA 151 -3.914 -5.823 -5.823 689 2HB ALA 151 1HB ALA 151 -5.057 -5.439 -5.439 690 3HB ALA 151 3HB ALA 151 -5.602 -6.320 -6.320 691 HA PRO 152 HA PRO 152 -6.459 -0.654 -0.654 692 1HB PRO 152 2HB PRO 152 -9.153 -0.425 -0.425 693 2HB PRO 152 1HB PRO 152 -7.971 0.183 0.183 694 1HG PRO 152 2HG PRO 152 -9.531 -2.373 -2.373 695 2HG PRO 152 1HG PRO 152 -9.206 -1.240 -1.240 696 1HD PRO 152 1HD PRO 152 -7.816 -3.527 -3.527 697 2HD PRO 152 2HD PRO 152 -7.059 -2.043 -2.043 698 H ASP 153 H ASP 153 -6.419 -0.922 -0.922 699 HA ASP 153 HA ASP 153 -7.097 -3.005 -3.005 700 1HB ASP 153 2HB ASP 153 -7.062 -0.073 -0.073 701 2HB ASP 153 1HB ASP 153 -7.683 -1.149 -1.149 702 H ARG 154 H ARG 154 -9.276 -0.252 -0.252 703 HA ARG 154 HA ARG 154 -11.584 -1.960 -1.960 704 1HB ARG 154 1HB ARG 154 -11.407 -0.393 -0.393 705 2HB ARG 154 2HB ARG 154 -12.616 -1.584 -1.584 706 1HG ARG 154 1HG ARG 154 -10.765 -3.293 -3.293 707 2HG ARG 154 2HG ARG 154 -9.746 -2.061 -2.061 708 1HD ARG 154 2HD ARG 154 -10.945 -2.066 -2.066 709 2HD ARG 154 1HD ARG 154 -12.413 -2.661 -2.661 710 HE ARG 154 HE ARG 154 -10.730 -4.747 -4.747 711 1HH1 ARG 154 1HH2 ARG 154 -11.648 -2.769 -2.769 712 2HH1 ARG 154 2HH2 ARG 154 -11.437 -4.036 -4.036 713 1HH2 ARG 154 1HH1 ARG 154 -10.448 -6.425 -6.425 714 2HH2 ARG 154 2HH1 ARG 154 -10.754 -6.116 -6.116 715 H ASN 155 H ASN 155 -10.247 0.540 0.540 716 HA ASN 155 HA ASN 155 -10.815 2.601 2.601 717 1HB ASN 155 1HB ASN 155 -12.658 0.763 0.763 718 2HB ASN 155 2HB ASN 155 -13.694 1.987 1.987 719 1HD2 ASN 155 1HD2 ASN 155 -12.092 1.058 1.058 720 2HD2 ASN 155 2HD2 ASN 155 -12.149 2.552 2.552 721 H HIS 156 H HIS 156 -10.975 2.212 2.212 722 HA HIS 156 HA HIS 156 -12.708 4.513 4.513 723 1HB HIS 156 2HB HIS 156 -13.869 2.565 2.565 724 2HB HIS 156 1HB HIS 156 -12.409 1.998 1.998 725 HD1 HIS 156 HD1 HIS 156 -13.372 2.068 2.068 726 HD2 HIS 156 HD2 HIS 156 -13.628 5.692 5.692 727 HE1 HIS 156 HE1 HIS 156 -14.050 3.791 3.791 728 H GLU 157 H GLU 157 -10.426 5.367 5.367 729 HA GLU 157 HA GLU 157 -9.368 6.581 6.581 730 1HB GLU 157 2HB GLU 157 -8.547 3.820 3.820 731 2HB GLU 157 1HB GLU 157 -7.141 4.863 4.863 732 1HG GLU 157 2HG GLU 157 -7.424 5.841 5.841 733 2HG GLU 157 1HG GLU 157 -9.152 5.496 5.496 734 H ARG 158 H ARG 158 -8.776 5.139 5.139 735 HA ARG 158 HA ARG 158 -7.881 6.084 6.084 736 1HB ARG 158 2HB ARG 158 -6.646 8.257 8.257 737 2HB ARG 158 1HB ARG 158 -6.940 8.267 8.267 738 1HG ARG 158 2HG ARG 158 -8.987 9.079 9.079 739 2HG ARG 158 1HG ARG 158 -9.387 7.860 7.860 740 1HD ARG 158 1HD ARG 158 -7.568 9.718 9.718 741 2HD ARG 158 2HD ARG 158 -8.867 10.620 10.620 742 HE ARG 158 HE ARG 158 -9.742 8.429 8.429 743 1HH1 ARG 158 1HH2 ARG 158 -8.963 11.824 11.824 744 2HH1 ARG 158 2HH2 ARG 158 -9.908 12.233 12.233 745 1HH2 ARG 158 2HH1 ARG 158 -10.988 8.962 8.962 746 2HH2 ARG 158 1HH1 ARG 158 -11.058 10.608 10.608 747 H GLY 159 H GLY 159 -6.660 4.201 4.201 748 1HA GLY 159 1HA GLY 159 -3.828 4.613 4.613 749 2HA GLY 159 2HA GLY 159 -4.324 3.848 3.848 750 H PHE 160 H PHE 160 -3.477 3.368 3.368 751 HA PHE 160 HA PHE 160 -4.639 0.685 0.685 752 1HB PHE 160 2HB PHE 160 -2.966 1.442 1.442 753 2HB PHE 160 1HB PHE 160 -4.630 0.871 0.871 754 HD1 PHE 160 HD1 PHE 160 -6.387 2.655 2.655 755 HD2 PHE 160 HD2 PHE 160 -2.549 3.578 3.578 756 HE1 PHE 160 HE1 PHE 160 -7.169 4.919 4.919 757 HE2 PHE 160 HE2 PHE 160 -3.325 5.842 5.842 758 HZ PHE 160 HZ PHE 160 -5.637 6.516 6.516 759 H SER 161 H SER 161 -2.939 -0.834 -0.834 760 HA SER 161 HA SER 161 -0.220 -0.612 -0.612 761 1HB SER 161 1HB SER 161 -0.936 -2.916 -2.916 762 2HB SER 161 2HB SER 161 -0.160 -1.433 -1.433 763 HG SER 161 HG SER 161 -2.623 -2.294 -2.294 764 H TYR 162 H TYR 162 0.823 -1.718 -1.718 765 HA TYR 162 HA TYR 162 -0.540 -3.911 -3.911 766 1HB TYR 162 2HB TYR 162 2.103 -2.680 -2.680 767 2HB TYR 162 1HB TYR 162 1.000 -3.606 -3.606 768 HD1 TYR 162 HD2 TYR 162 -1.374 -1.843 -1.843 769 HD2 TYR 162 HD1 TYR 162 2.080 -1.052 -1.052 770 HE1 TYR 162 HE2 TYR 162 -2.401 0.242 0.242 771 HE2 TYR 162 HE1 TYR 162 1.060 1.037 1.037 772 HH TYR 162 HH2 TYR 162 -0.749 2.678 2.678 773 H ILE 163 H ILE 163 1.811 -5.199 -5.199 774 HA ILE 163 HA ILE 163 3.517 -6.000 -6.000 775 HB ILE 163 HB ILE 163 2.484 -8.505 -8.505 776 1HG1 ILE 163 1HG1 ILE 163 0.064 -6.816 -6.816 777 2HG1 ILE 163 2HG1 ILE 163 0.455 -7.286 -7.286 778 1HG2 ILE 163 1HG2 ILE 163 2.347 -6.453 -6.453 779 2HG2 ILE 163 3HG2 ILE 163 1.382 -7.916 -7.916 780 3HG2 ILE 163 2HG2 ILE 163 3.131 -8.034 -8.034 781 1HD1 ILE 163 3HD1 ILE 163 0.612 -9.671 -9.671 782 2HD1 ILE 163 2HD1 ILE 163 -0.658 -8.864 -8.864 783 3HD1 ILE 163 1HD1 ILE 163 -0.822 -9.059 -9.059 784 H CYS 164 H CYS 164 5.163 -7.392 -7.392 785 HA CYS 164 HA CYS 164 5.061 -8.283 -8.283 786 1HB CYS 164 1HB CYS 164 7.230 -7.398 -7.398 787 2HB CYS 164 2HB CYS 164 6.267 -6.085 -6.085 788 HG CYS 164 HG CYS 164 8.337 -7.554 -7.554 789 H ARG 165 H ARG 165 6.806 -9.853 -9.853 790 HA ARG 165 HA ARG 165 7.664 -11.369 -11.369 791 1HB ARG 165 2HB ARG 165 7.229 -13.456 -13.456 792 2HB ARG 165 1HB ARG 165 5.782 -12.558 -12.558 793 1HG ARG 165 1HG ARG 165 5.235 -12.180 -12.180 794 2HG ARG 165 2HG ARG 165 6.902 -11.831 -11.831 795 1HD ARG 165 2HD ARG 165 7.388 -14.236 -14.236 796 2HD ARG 165 1HD ARG 165 5.711 -14.569 -14.569 797 HE ARG 165 HE ARG 165 5.641 -13.035 -13.035 798 1HH1 ARG 165 2HH1 ARG 165 6.892 -16.135 -16.135 799 2HH1 ARG 165 1HH1 ARG 165 6.721 -16.844 -16.844 800 1HH2 ARG 165 2HH2 ARG 165 5.413 -13.959 -13.959 801 2HH2 ARG 165 1HH2 ARG 165 5.880 -15.607 -15.607 802 H ASP 166 H ASP 166 9.708 -10.305 -10.305 803 HA ASP 166 HA ASP 166 11.815 -10.040 -10.040 804 1HB ASP 166 1HB ASP 166 12.993 -12.095 -12.095 805 2HB ASP 166 2HB ASP 166 11.769 -12.396 -12.396 806 H GLY 167 H GLY 167 13.152 -11.334 -11.334 807 1HA GLY 167 2HA GLY 167 13.120 -11.551 -11.551 808 2HA GLY 167 1HA GLY 167 11.582 -10.700 -10.700 809 H THR 168 H THR 168 11.923 -8.390 -8.390 810 HA THR 168 HA THR 168 14.375 -7.169 -7.169 811 HB THR 168 HB THR 168 12.031 -5.472 -5.472 812 HG1 THR 168 1HG THR 168 12.241 -7.832 -7.832 813 1HG2 THR 168 3HG2 THR 168 14.328 -6.356 -6.356 814 2HG2 THR 168 2HG2 THR 168 12.989 -5.410 -5.410 815 3HG2 THR 168 1HG2 THR 168 13.983 -4.756 -4.756 816 H THR 169 H THR 169 13.079 -7.837 -7.837 817 HA THR 169 HA THR 169 13.554 -5.206 -5.206 818 HB THR 169 HB THR 169 11.188 -6.999 -6.999 819 HG1 THR 169 1HG THR 169 10.119 -5.553 -5.553 820 1HG2 THR 169 2HG2 THR 169 12.213 -6.029 -6.029 821 2HG2 THR 169 1HG2 THR 169 11.791 -4.443 -4.443 822 3HG2 THR 169 3HG2 THR 169 10.525 -5.624 -5.624 823 H ARG 170 H ARG 170 12.371 -8.117 -8.117 824 HA ARG 170 HA ARG 170 14.960 -9.007 -9.007 825 1HB ARG 170 1HB ARG 170 13.225 -7.451 -7.451 826 2HB ARG 170 2HB ARG 170 14.421 -8.609 -8.609 827 1HG ARG 170 1HG ARG 170 16.073 -7.250 -7.250 828 2HG ARG 170 2HG ARG 170 14.831 -5.997 -5.997 829 1HD ARG 170 1HD ARG 170 15.124 -6.973 -6.973 830 2HD ARG 170 2HD ARG 170 16.753 -6.744 -6.744 831 HE ARG 170 HE ARG 170 15.028 -4.509 -4.509 832 1HH1 ARG 170 1HH1 ARG 170 17.126 -6.021 -6.021 833 2HH1 ARG 170 2HH1 ARG 170 17.473 -4.545 -4.545 834 1HH2 ARG 170 1HH2 ARG 170 15.478 -2.559 -2.559 835 2HH2 ARG 170 2HH2 ARG 170 16.536 -2.577 -2.577 836 H ARG 171 H ARG 171 12.002 -9.013 -9.013 837 HA ARG 171 HA ARG 171 11.487 -11.798 -11.798 838 1HB ARG 171 1HB ARG 171 11.328 -12.512 -12.512 839 2HB ARG 171 2HB ARG 171 12.889 -11.733 -11.733 840 1HG ARG 171 2HG ARG 171 12.387 -10.025 -10.025 841 2HG ARG 171 1HG ARG 171 10.682 -10.006 -10.006 842 1HD ARG 171 1HD ARG 171 10.713 -10.743 -10.743 843 2HD ARG 171 2HD ARG 171 10.477 -12.200 -12.200 844 HE ARG 171 HE ARG 171 13.226 -11.823 -11.823 845 1HH1 ARG 171 1HH1 ARG 171 10.302 -12.692 -12.692 846 2HH1 ARG 171 2HH1 ARG 171 11.116 -13.661 -13.661 847 1HH2 ARG 171 1HH2 ARG 171 14.308 -13.097 -13.097 848 2HH2 ARG 171 2HH2 ARG 171 13.392 -13.892 -13.892 849 H TRP 172 H TRP 172 9.469 -11.963 -11.963 850 HA TRP 172 HA TRP 172 7.261 -10.875 -10.875 851 1HB TRP 172 1HB TRP 172 7.122 -11.744 -11.744 852 2HB TRP 172 2HB TRP 172 5.894 -11.882 -11.882 853 HD1 TRP 172 HD1 TRP 172 6.908 -14.357 -14.357 854 HE1 TRP 172 HE1 TRP 172 7.846 -16.435 -16.435 855 HE3 TRP 172 HE3 TRP 172 8.128 -12.244 -12.244 856 HZ2 TRP 172 2HZ TRP 172 8.956 -17.095 -17.095 857 HZ3 TRP 172 HZ3 TRP 172 9.124 -13.671 -13.671 858 HH2 TRP 172 HH2 TRP 172 9.530 -16.046 -16.046 859 H MET 173 H MET 173 8.347 -8.680 -8.680 860 HA MET 173 HA MET 173 8.067 -7.187 -7.187 861 1HB MET 173 1HB MET 173 8.906 -6.157 -6.157 862 2HB MET 173 2HB MET 173 9.184 -5.399 -5.399 863 1HG MET 173 1HG MET 173 10.386 -7.999 -7.999 864 2HG MET 173 2HG MET 173 11.204 -6.437 -6.437 865 1HE MET 173 2HE MET 173 10.801 -4.991 -4.991 866 2HE MET 173 1HE MET 173 9.282 -5.803 -5.803 867 3HE MET 173 3HE MET 173 10.629 -5.869 -5.869 868 H CYS 174 H CYS 174 6.269 -6.177 -6.177 869 HA CYS 174 HA CYS 174 4.114 -5.820 -5.820 870 1HB CYS 174 2HB CYS 174 4.499 -5.321 -5.321 871 2HB CYS 174 1HB CYS 174 3.170 -4.521 -4.521 872 HG CYS 174 HG CYS 174 1.951 -6.671 -6.671 873 H HIS 175 H HIS 175 3.035 -3.623 -3.623 874 HA HIS 175 HA HIS 175 5.004 -1.448 -1.448 875 1HB HIS 175 2HB HIS 175 3.286 -2.207 -2.207 876 2HB HIS 175 1HB HIS 175 4.313 -0.781 -0.781 877 HD1 HIS 175 HD1 HIS 175 6.447 -1.129 -1.129 878 HD2 HIS 175 HD2 HIS 175 5.035 -4.644 -4.644 879 HE1 HIS 175 HE1 HIS 175 8.108 -2.934 -2.934 880 H GLY 176 H GLY 176 3.942 -0.388 -0.388 881 1HA GLY 176 1HA GLY 176 1.126 0.204 0.204 882 2HA GLY 176 2HA GLY 176 2.273 0.861 0.861 883 H PHE 177 H PHE 177 0.253 1.675 1.675 884 HA PHE 177 HA PHE 177 1.923 3.955 3.955 885 1HB PHE 177 1HB PHE 177 0.053 2.191 2.191 886 2HB PHE 177 2HB PHE 177 -0.060 3.903 3.903 887 HD1 PHE 177 HD2 PHE 177 2.128 5.101 5.101 888 HD2 PHE 177 HD1 PHE 177 1.671 0.871 0.871 889 HE1 PHE 177 HE2 PHE 177 4.078 4.890 4.890 890 HE2 PHE 177 HE1 PHE 177 3.620 0.651 0.651 891 HZ PHE 177 HZ PHE 177 4.826 2.662 2.662 892 H LEU 178 H LEU 178 1.397 5.687 5.687 893 HA LEU 178 HA LEU 178 -1.360 6.131 6.131 894 1HB LEU 178 2HB LEU 178 1.291 7.244 7.244 895 2HB LEU 178 1HB LEU 178 -0.076 8.334 8.334 896 HG LEU 178 HG LEU 178 0.212 5.674 5.674 897 1HD1 LEU 178 2HD1 LEU 178 0.545 8.522 8.522 898 2HD1 LEU 178 1HD1 LEU 178 0.135 7.248 7.248 899 3HD1 LEU 178 3HD1 LEU 178 1.638 7.157 7.157 900 1HD2 LEU 178 1HD2 LEU 178 -2.048 7.591 7.591 901 2HD2 LEU 178 3HD2 LEU 178 -2.061 5.829 5.829 902 3HD2 LEU 178 2HD2 LEU 178 -1.823 6.753 6.753 903 H ALA 179 H ALA 179 -2.542 6.743 6.743 904 HA ALA 179 HA ALA 179 -1.804 8.178 8.178 905 1HB ALA 179 3HB ALA 179 -4.300 7.529 7.529 906 2HB ALA 179 2HB ALA 179 -4.374 9.090 9.090 907 3HB ALA 179 1HB ALA 179 -3.919 7.643 7.643 908 H CYS 180 H CYS 180 -1.435 10.258 10.258 909 HA CYS 180 HA CYS 180 -0.644 12.125 12.125 910 1HB CYS 180 1HB CYS 180 0.063 12.297 12.297 911 2HB CYS 180 2HB CYS 180 -1.594 12.556 12.556 912 HG CYS 180 HG CYS 180 -0.406 14.703 14.703 913 H LYS 181 H LYS 181 -3.383 12.850 12.850 914 HA LYS 181 HA LYS 181 -4.571 14.703 14.703 915 1HB LYS 181 1HB LYS 181 -6.034 12.965 12.965 916 2HB LYS 181 2HB LYS 181 -6.529 14.546 14.546 917 1HG LYS 181 2HG LYS 181 -4.198 13.912 13.912 918 2HG LYS 181 1HG LYS 181 -5.661 14.812 14.812 919 1HD LYS 181 2HD LYS 181 -4.847 16.329 16.329 920 2HD LYS 181 1HD LYS 181 -3.278 15.660 15.660 921 1HE LYS 181 2HE LYS 181 -3.479 16.499 16.499 922 2HE LYS 181 1HE LYS 181 -5.158 16.968 16.968 923 1HZ LYS 181 1HZ LYS 181 -3.988 18.360 18.360 924 2HZ LYS 181 3HZ LYS 181 -2.701 18.303 18.303 925 3HZ LYS 181 2HZ LYS 181 -4.186 18.961 18.961 926 H ASP 182 H ASP 182 -4.798 11.229 11.229 927 HA ASP 182 HA ASP 182 -5.695 9.723 9.723 928 1HB ASP 182 1HB ASP 182 -5.350 12.144 12.144 929 2HB ASP 182 2HB ASP 182 -6.647 11.109 11.109 930 H SER 183 H SER 183 -7.359 9.852 9.852 931 HA SER 183 HA SER 183 -9.972 9.983 9.983 932 1HB SER 183 2HB SER 183 -9.176 12.250 12.250 933 2HB SER 183 1HB SER 183 -9.942 11.377 11.377 934 HG SER 183 HG SER 183 -11.431 12.679 12.679 935 H GLY 184 H GLY 184 -8.063 8.048 8.048 936 1HA GLY 184 2HA GLY 184 -8.097 6.358 6.358 937 2HA GLY 184 1HA GLY 184 -9.738 6.180 6.180 938 H GLU 185 H GLU 185 -8.572 8.950 8.950 939 HA GLU 185 HA GLU 185 -10.294 8.096 8.096 940 1HB GLU 185 2HB GLU 185 -10.817 10.200 10.200 941 2HB GLU 185 1HB GLU 185 -9.771 10.988 10.988 942 1HG GLU 185 2HG GLU 185 -11.221 10.287 10.287 943 2HG GLU 185 1HG GLU 185 -12.246 9.416 9.416 944 H ARG 186 H ARG 186 -7.126 8.753 8.753 945 HA ARG 186 HA ARG 186 -6.428 9.351 9.351 946 1HB ARG 186 2HB ARG 186 -5.011 10.292 10.292 947 2HB ARG 186 1HB ARG 186 -4.478 10.599 10.599 948 1HG ARG 186 2HG ARG 186 -6.201 12.088 12.088 949 2HG ARG 186 1HG ARG 186 -7.199 11.455 11.455 950 1HD ARG 186 1HD ARG 186 -6.440 13.098 13.098 951 2HD ARG 186 2HD ARG 186 -4.845 12.350 12.350 952 HE ARG 186 HE ARG 186 -4.180 14.123 14.123 953 1HH1 ARG 186 2HH2 ARG 186 -7.613 13.713 13.713 954 2HH1 ARG 186 1HH2 ARG 186 -7.777 15.091 15.091 955 1HH2 ARG 186 1HH1 ARG 186 -4.386 15.939 15.939 956 2HH2 ARG 186 2HH1 ARG 186 -5.942 16.358 16.358 957 H LEU 187 H LEU 187 -6.120 7.132 7.132 958 HA LEU 187 HA LEU 187 -3.958 5.783 5.783 959 1HB LEU 187 1HB LEU 187 -4.089 6.323 6.323 960 2HB LEU 187 2HB LEU 187 -3.125 5.014 5.014 961 HG LEU 187 HG LEU 187 -1.960 6.781 6.781 962 1HD1 LEU 187 2HD1 LEU 187 -3.903 8.416 8.416 963 2HD1 LEU 187 1HD1 LEU 187 -2.268 8.968 8.968 964 3HD1 LEU 187 3HD1 LEU 187 -2.800 8.833 8.833 965 1HD2 LEU 187 3HD2 LEU 187 -1.670 6.170 6.170 966 2HD2 LEU 187 2HD2 LEU 187 -0.462 6.207 6.207 967 3HD2 LEU 187 1HD2 LEU 187 -0.929 7.700 7.700 968 H SER 188 H SER 188 -6.466 5.480 5.480 969 HA SER 188 HA SER 188 -6.603 2.675 2.675 970 1HB SER 188 1HB SER 188 -7.654 3.836 3.836 971 2HB SER 188 2HB SER 188 -8.633 4.800 4.800 972 HG SER 188 HG SER 188 -10.022 3.273 3.273 973 H HIS 189 H HIS 189 -8.596 5.059 5.059 974 HA HIS 189 HA HIS 189 -9.904 2.998 2.998 975 1HB HIS 189 1HB HIS 189 -10.639 5.516 5.516 976 2HB HIS 189 2HB HIS 189 -10.120 5.794 5.794 977 HD1 HIS 189 HD1 HIS 189 -13.119 5.255 5.255 978 HD2 HIS 189 HD2 HIS 189 -11.375 3.463 3.463 979 HE1 HIS 189 HE1 HIS 189 -15.002 4.167 4.167 980 H ALA 190 H ALA 190 -7.228 5.200 5.200 981 HA ALA 190 HA ALA 190 -7.002 4.850 4.850 982 1HB ALA 190 3HB ALA 190 -6.002 6.671 6.671 983 2HB ALA 190 2HB ALA 190 -4.583 5.700 5.700 984 3HB ALA 190 1HB ALA 190 -5.496 6.494 6.494 985 H VAL 191 H VAL 191 -4.666 4.024 4.024 986 HA VAL 191 HA VAL 191 -3.110 2.267 2.267 987 HB VAL 191 HB VAL 191 -3.812 1.878 1.878 988 1HG1 VAL 191 3HG2 VAL 191 -1.837 0.744 0.744 989 2HG1 VAL 191 2HG2 VAL 191 -1.143 1.369 1.369 990 3HG1 VAL 191 1HG2 VAL 191 -2.415 0.150 0.150 991 1HG2 VAL 191 3HG1 VAL 191 -2.734 4.175 4.175 992 2HG2 VAL 191 2HG1 VAL 191 -2.816 3.797 3.797 993 3HG2 VAL 191 1HG1 VAL 191 -1.389 3.350 3.350 994 H GLY 192 H GLY 192 -6.008 1.493 1.493 995 1HA GLY 192 1HA GLY 192 -6.016 -1.278 -1.278 996 2HA GLY 192 2HA GLY 192 -7.422 -0.317 -0.317 997 H CYS 193 H CYS 193 -6.995 1.438 1.438 998 HA CYS 193 HA CYS 193 -8.546 -0.106 -0.106 999 1HB CYS 193 1HB CYS 193 -7.766 2.726 2.726 1000 2HB CYS 193 2HB CYS 193 -7.975 2.197 2.197 1001 HG CYS 193 HG CYS 193 -10.352 2.601 2.601 1002 H ALA 194 H ALA 194 -5.251 1.022 1.022 1003 HA ALA 194 HA ALA 194 -4.289 0.739 0.739 1004 1HB ALA 194 2HB ALA 194 -3.186 1.065 1.065 1005 2HB ALA 194 1HB ALA 194 -2.370 -0.326 -0.326 1006 3HB ALA 194 3HB ALA 194 -2.376 1.222 1.222 1007 H PHE 195 H PHE 195 -4.692 -1.749 -1.749 1008 HA PHE 195 HA PHE 195 -3.536 -3.888 -3.888 1009 1HB PHE 195 1HB PHE 195 -5.811 -3.904 -3.904 1010 2HB PHE 195 2HB PHE 195 -4.893 -5.325 -5.325 1011 HD1 PHE 195 HD2 PHE 195 -4.800 -2.189 -2.189 1012 HD2 PHE 195 HD1 PHE 195 -2.657 -5.696 -5.696 1013 HE1 PHE 195 HE2 PHE 195 -3.145 -1.724 -1.724 1014 HE2 PHE 195 HE1 PHE 195 -0.998 -5.238 -5.238 1015 HZ PHE 195 HZ PHE 195 -1.241 -3.250 -3.250 1016 H ALA 196 H ALA 196 -6.554 -2.304 -2.304 1017 HA ALA 196 HA ALA 196 -8.182 -4.219 -4.219 1018 1HB ALA 196 3HB ALA 196 -7.756 -1.408 -1.408 1019 2HB ALA 196 2HB ALA 196 -9.121 -2.441 -2.441 1020 3HB ALA 196 1HB ALA 196 -8.894 -1.924 -1.924 1021 H VAL 197 H VAL 197 -5.622 -2.431 -2.431 1022 HA VAL 197 HA VAL 197 -5.930 -3.841 -3.841 1023 HB VAL 197 HB VAL 197 -3.618 -2.822 -2.822 1024 1HG1 VAL 197 1HG1 VAL 197 -6.004 -1.939 -1.939 1025 2HG1 VAL 197 3HG1 VAL 197 -5.607 -0.703 -0.703 1026 3HG1 VAL 197 2HG1 VAL 197 -4.590 -0.910 -0.910 1027 1HG2 VAL 197 2HG2 VAL 197 -3.203 -2.515 -2.515 1028 2HG2 VAL 197 1HG2 VAL 197 -2.785 -1.167 -1.167 1029 3HG2 VAL 197 3HG2 VAL 197 -4.274 -1.119 -1.119 1030 H CYS 198 H CYS 198 -3.872 -4.166 -4.166 1031 HA CYS 198 HA CYS 198 -1.867 -5.811 -5.811 1032 1HB CYS 198 1HB CYS 198 -2.259 -4.995 -4.995 1033 2HB CYS 198 2HB CYS 198 -3.470 -6.257 -6.257 1034 HG CYS 198 HG CYS 198 -1.679 -7.810 -7.810 1035 H LEU 199 H LEU 199 -5.175 -6.811 -6.811 1036 HA LEU 199 HA LEU 199 -4.583 -9.473 -9.473 1037 1HB LEU 199 2HB LEU 199 -6.906 -9.969 -9.969 1038 2HB LEU 199 1HB LEU 199 -5.498 -9.855 -9.855 1039 HG LEU 199 HG LEU 199 -7.087 -7.377 -7.377 1040 1HD1 LEU 199 1HD2 LEU 199 -7.995 -9.650 -9.650 1041 2HD1 LEU 199 3HD2 LEU 199 -8.663 -8.018 -8.018 1042 3HD1 LEU 199 2HD2 LEU 199 -8.830 -9.035 -9.035 1043 1HD2 LEU 199 1HD1 LEU 199 -4.960 -7.667 -7.667 1044 2HD2 LEU 199 3HD1 LEU 199 -6.325 -6.820 -6.820 1045 3HD2 LEU 199 2HD1 LEU 199 -6.001 -8.500 -8.500 1046 H GLU 200 H GLU 200 -6.528 -6.615 -6.615 1047 HA GLU 200 HA GLU 200 -7.926 -5.895 -5.895 1048 1HB GLU 200 2HB GLU 200 -5.805 -6.800 -6.800 1049 2HB GLU 200 1HB GLU 200 -6.936 -8.017 -8.017 1050 1HG GLU 200 2HG GLU 200 -8.422 -6.091 -6.091 1051 2HG GLU 200 1HG GLU 200 -7.031 -5.048 -5.048 1052 H ARG 201 H ARG 201 -10.037 -6.196 -6.196 1053 HA ARG 201 HA ARG 201 -12.088 -7.161 -7.161 1054 1HB ARG 201 1HB ARG 201 -10.601 -8.399 -8.399 1055 2HB ARG 201 2HB ARG 201 -11.121 -9.776 -9.776 1056 1HG ARG 201 1HG ARG 201 -13.465 -8.526 -8.526 1057 2HG ARG 201 2HG ARG 201 -12.693 -7.951 -7.951 1058 1HD ARG 201 2HD ARG 201 -12.988 -10.837 -10.837 1059 2HD ARG 201 1HD ARG 201 -13.981 -10.005 -10.005 1060 HE ARG 201 HE ARG 201 -11.400 -9.676 -9.676 1061 1HH1 ARG 201 1HH2 ARG 201 -13.459 -12.384 -12.384 1062 2HH1 ARG 201 2HH2 ARG 201 -12.704 -13.439 -13.439 1063 1HH2 ARG 201 1HH1 ARG 201 -10.396 -11.056 -11.056 1064 2HH2 ARG 201 2HH1 ARG 201 -10.961 -12.685 -12.685 1065 H LYS 202 H LYS 202 -10.721 -7.351 -7.351 1066 HA LYS 202 HA LYS 202 -10.685 -8.467 -8.467 1067 1HB LYS 202 1HB LYS 202 -13.211 -9.857 -9.857 1068 2HB LYS 202 2HB LYS 202 -12.778 -9.160 -9.160 1069 1HG LYS 202 2HG LYS 202 -13.328 -7.523 -7.523 1070 2HG LYS 202 1HG LYS 202 -14.550 -7.930 -7.930 1071 1HD LYS 202 1HD LYS 202 -12.014 -6.715 -6.715 1072 2HD LYS 202 2HD LYS 202 -13.160 -5.671 -5.671 1073 1HE LYS 202 1HE LYS 202 -13.899 -7.425 -7.425 1074 2HE LYS 202 2HE LYS 202 -13.413 -5.738 -5.738 1075 1HZ LYS 202 3HZ LYS 202 -15.299 -5.434 -5.434 1076 2HZ LYS 202 2HZ LYS 202 -15.880 -6.863 -6.863 1077 3HZ LYS 202 1HZ LYS 202 -15.651 -5.489 -5.489 1078 H GLN 203 H GLN 203 -9.412 -9.819 -9.819 1079 HA GLN 203 HA GLN 203 -9.937 -12.633 -12.633 1080 1HB GLN 203 1HB GLN 203 -8.959 -11.219 -11.219 1081 2HB GLN 203 2HB GLN 203 -7.443 -11.720 -11.720 1082 1HG GLN 203 2HG GLN 203 -9.356 -13.896 -13.896 1083 2HG GLN 203 1HG GLN 203 -8.928 -13.165 -13.165 1084 1HE2 GLN 203 1HE2 GLN 203 -6.569 -15.923 -15.923 1085 2HE2 GLN 203 2HE2 GLN 203 -8.289 -15.797 -15.797 1086 H ARG 204 H ARG 204 -9.542 -12.315 -12.315 1087 HA ARG 204 HA ARG 204 -7.037 -11.883 -11.883 1088 1HB ARG 204 2HB ARG 204 -8.985 -13.931 -13.931 1089 2HB ARG 204 1HB ARG 204 -7.838 -12.963 -12.963 1090 1HG ARG 204 2HG ARG 204 -9.582 -11.655 -11.655 1091 2HG ARG 204 1HG ARG 204 -9.368 -11.045 -11.045 1092 1HD ARG 204 1HD ARG 204 -11.612 -11.599 -11.599 1093 2HD ARG 204 2HD ARG 204 -10.879 -13.047 -13.047 1094 HE ARG 204 HE ARG 204 -10.941 -13.615 -13.615 1095 1HH1 ARG 204 2HH2 ARG 204 -13.357 -12.460 -12.460 1096 2HH1 ARG 204 1HH2 ARG 204 -14.673 -13.215 -13.215 1097 1HH2 ARG 204 2HH1 ARG 204 -12.667 -14.613 -14.613 1098 2HH2 ARG 204 1HH1 ARG 204 -14.281 -14.440 -14.440 1099 H ARG 205 H ARG 205 -8.278 -14.654 -14.654 1100 HA ARG 205 HA ARG 205 -7.309 -16.582 -16.582 1101 1HB ARG 205 2HB ARG 205 -5.482 -14.912 -14.912 1102 2HB ARG 205 1HB ARG 205 -4.654 -15.424 -15.424 1103 1HG ARG 205 1HG ARG 205 -4.908 -17.805 -17.805 1104 2HG ARG 205 2HG ARG 205 -5.212 -16.977 -16.977 1105 1HD ARG 205 2HD ARG 205 -2.734 -16.984 -16.984 1106 2HD ARG 205 1HD ARG 205 -2.915 -17.376 -17.376 1107 HE ARG 205 HE ARG 205 -3.610 -14.767 -14.767 1108 1HH1 ARG 205 1HH1 ARG 205 -0.853 -16.557 -16.557 1109 2HH1 ARG 205 2HH1 ARG 205 0.247 -15.230 -15.230 1110 1HH2 ARG 205 1HH2 ARG 205 -2.173 -13.012 -13.012 1111 2HH2 ARG 205 2HH2 ARG 205 -0.504 -13.214 -13.214 1112 H THR 206 H THR 206 -8.356 -16.625 -16.625 1113 HA THR 206 HA THR 206 -6.712 -17.485 -17.485 1114 HB THR 206 HB THR 206 -8.721 -18.528 -18.528 1115 HG1 THR 206 1HG THR 206 -10.437 -18.978 -18.978 1116 1HG2 THR 206 3HG2 THR 206 -8.914 -15.824 -15.824 1117 2HG2 THR 206 2HG2 THR 206 -10.366 -16.537 -16.537 1118 3HG2 THR 206 1HG2 THR 206 -8.921 -16.323 -16.323 1119 H ARG 207 H ARG 207 -8.289 -19.383 -19.383 1120 HA ARG 207 HA ARG 207 -6.233 -21.306 -21.306 1121 1HB ARG 207 1HB ARG 207 -8.155 -21.724 -21.724 1122 2HB ARG 207 2HB ARG 207 -8.403 -22.958 -22.958 1123 1HG ARG 207 1HG ARG 207 -6.480 -24.011 -24.011 1124 2HG ARG 207 2HG ARG 207 -5.602 -22.504 -22.504 1125 1HD ARG 207 1HD ARG 207 -5.974 -22.561 -22.561 1126 2HD ARG 207 2HD ARG 207 -7.657 -23.045 -23.045 1127 HE ARG 207 HE ARG 207 -7.015 -25.175 -25.175 1128 1HH1 ARG 207 2HH2 ARG 207 -4.248 -23.444 -23.444 1129 2HH1 ARG 207 1HH2 ARG 207 -3.159 -24.772 -24.772 1130 1HH2 ARG 207 1HH1 ARG 207 -5.588 -26.928 -26.928 1131 2HH2 ARG 207 2HH1 ARG 207 -3.921 -26.754 -26.754 1132 H ALA 208 H ALA 208 -9.778 -21.119 -21.119 1133 HA ALA 208 HA ALA 208 -11.161 -21.562 -21.562 1134 1HB ALA 208 3HB ALA 208 -9.441 -19.852 -19.852 1135 2HB ALA 208 2HB ALA 208 -8.921 -21.239 -21.239 1136 3HB ALA 208 1HB ALA 208 -10.590 -20.674 -20.674 1137 H ALA 209 H ALA 209 -11.771 -23.641 -23.641 1138 HA ALA 209 HA ALA 209 -10.563 -25.504 -25.504 1139 1HB ALA 209 2HB ALA 209 -9.385 -25.458 -25.458 1140 2HB ALA 209 1HB ALA 209 -10.558 -26.767 -26.767 1141 3HB ALA 209 3HB ALA 209 -9.347 -26.808 -26.808 1142 H ALA 210 H ALA 210 -12.325 -25.922 -25.922 1143 HA ALA 210 HA ALA 210 -14.376 -26.785 -26.785 1144 1HB ALA 210 2HB ALA 210 -15.021 -24.862 -24.862 1145 2HB ALA 210 1HB ALA 210 -15.212 -26.071 -26.071 1146 3HB ALA 210 3HB ALA 210 -16.204 -26.156 -26.156 1147 1H ALA 1 2HT ALA 1 -12.750 -8.285 -8.285 1148 2H ALA 1 1HT ALA 1 -11.419 -7.843 -7.843 1149 3H ALA 1 3HT ALA 1 -13.010 -7.814 -7.814 1150 HA ALA 1 HA ALA 1 -13.578 -5.943 -5.943 1151 1HB ALA 1 2HB ALA 1 -11.232 -5.905 -5.905 1152 2HB ALA 1 1HB ALA 1 -10.783 -5.102 -5.102 1153 3HB ALA 1 3HB ALA 1 -12.122 -4.480 -4.480 1154 H TYR 2 H TYR 2 -10.429 -6.655 -6.655 1155 HA TYR 2 HA TYR 2 -11.519 -6.879 -6.879 1156 1HB TYR 2 1HB TYR 2 -10.413 -4.810 -4.810 1157 2HB TYR 2 2HB TYR 2 -11.860 -4.534 -4.534 1158 HD1 TYR 2 HD1 TYR 2 -9.085 -5.350 -5.350 1159 HD2 TYR 2 HD2 TYR 2 -10.872 -2.146 -2.146 1160 HE1 TYR 2 HE1 TYR 2 -7.854 -3.740 -3.740 1161 HE2 TYR 2 HE2 TYR 2 -9.645 -0.526 -0.526 1162 HH TYR 2 HH2 TYR 2 -8.606 -0.633 -0.633 1163 H ILE 3 H ILE 3 -10.182 -8.747 -8.747 1164 HA ILE 3 HA ILE 3 -8.362 -9.979 -9.979 1165 HB ILE 3 HB ILE 3 -6.796 -7.559 -7.559 1166 1HG1 ILE 3 2HG1 ILE 3 -8.835 -6.960 -6.960 1167 2HG1 ILE 3 1HG1 ILE 3 -7.945 -7.801 -7.801 1168 1HG2 ILE 3 2HG2 ILE 3 -6.485 -10.320 -10.320 1169 2HG2 ILE 3 1HG2 ILE 3 -6.886 -9.745 -9.745 1170 3HG2 ILE 3 3HG2 ILE 3 -5.509 -9.061 -9.061 1171 1HD1 ILE 3 1HD1 ILE 3 -9.408 -9.784 -9.784 1172 2HD1 ILE 3 3HD1 ILE 3 -10.503 -8.407 -8.407 1173 3HD1 ILE 3 2HD1 ILE 3 -9.731 -9.066 -9.066 1174 H GLY 4 H GLY 4 -6.972 -6.892 -6.892 1175 1HA GLY 4 2HA GLY 4 -4.762 -7.853 -7.853 1176 2HA GLY 4 1HA GLY 4 -5.654 -6.443 -6.443 1177 HA PRO 5 HA PRO 5 -6.789 -8.359 -8.359 1178 1HB PRO 5 2HB PRO 5 -9.635 -7.756 -7.756 1179 2HB PRO 5 1HB PRO 5 -8.652 -7.285 -7.285 1180 1HG PRO 5 1HG PRO 5 -9.295 -5.508 -5.508 1181 2HG PRO 5 2HG PRO 5 -7.684 -5.504 -5.504 1182 1HD PRO 5 2HD PRO 5 -8.536 -6.548 -6.548 1183 2HD PRO 5 1HD PRO 5 -7.070 -5.650 -5.650 1184 1HN PTR 6 H PTR 6 -8.781 -9.152 -9.152 1185 HA PTR 6 HA PTR 6 -8.657 -11.959 -11.959 1186 1HB PTR 6 1HB PTR 6 -11.386 -10.738 -10.738 1187 2HB PTR 6 2HB PTR 6 -10.686 -10.981 -10.981 1188 HD1 PTR 6 HD1 PTR 6 -12.011 -12.751 -12.751 1189 HD2 PTR 6 HD2 PTR 6 -11.029 -13.126 -13.126 1190 HE1 PTR 6 HE1 PTR 6 -11.660 -15.176 -15.176 1191 HE2 PTR 6 HE2 PTR 6 -10.568 -15.544 -15.544 1192 H LEU 7 H LEU 7 -8.435 -13.122 -13.122 1193 HA LEU 7 HA LEU 7 -8.372 -11.905 -11.905 1194 1HB LEU 7 2HB LEU 7 -7.793 -14.499 -14.499 1195 2HB LEU 7 1HB LEU 7 -8.583 -14.663 -14.663 1196 HG LEU 7 HG LEU 7 -6.809 -13.026 -13.026 1197 1HD1 LEU 7 2HD1 LEU 7 -6.120 -12.436 -12.436 1198 2HD1 LEU 7 1HD1 LEU 7 -5.254 -13.972 -13.972 1199 3HD1 LEU 7 3HD1 LEU 7 -4.834 -12.719 -12.719 1200 1HD2 LEU 7 2HD2 LEU 7 -6.924 -15.494 -15.494 1201 2HD2 LEU 7 1HD2 LEU 7 -5.304 -14.801 -14.801 1202 3HD2 LEU 7 3HD2 LEU 7 -5.815 -15.708 -15.708 Start of MODEL 4 1 HA SER 64 HA SER 64 -18.263 11.273 11.273 2 1HB SER 64 2HB SER 64 -20.435 13.336 13.336 3 2HB SER 64 1HB SER 64 -20.243 12.108 12.108 4 HG SER 64 HG SER 64 -20.942 11.663 11.663 5 H LYS 65 H LYS 65 -16.604 12.242 12.242 6 HA LYS 65 HA LYS 65 -16.486 15.173 15.173 7 1HB LYS 65 1HB LYS 65 -14.094 13.383 13.383 8 2HB LYS 65 2HB LYS 65 -14.084 15.140 15.140 9 1HG LYS 65 1HG LYS 65 -15.547 15.183 15.183 10 2HG LYS 65 2HG LYS 65 -15.399 13.426 13.426 11 1HD LYS 65 2HD LYS 65 -13.685 13.937 13.937 12 2HD LYS 65 1HD LYS 65 -12.801 14.092 14.092 13 1HE LYS 65 1HE LYS 65 -14.123 16.556 16.556 14 2HE LYS 65 2HE LYS 65 -13.263 16.064 16.064 15 1HZ LYS 65 3HZ LYS 65 -11.722 15.725 15.725 16 2HZ LYS 65 2HZ LYS 65 -12.158 17.334 17.334 17 3HZ LYS 65 1HZ LYS 65 -11.301 16.471 16.471 18 HA PRO 66 HA PRO 66 -16.153 13.715 13.715 19 1HB PRO 66 2HB PRO 66 -17.024 16.460 16.460 20 2HB PRO 66 1HB PRO 66 -17.762 14.927 14.927 21 1HG PRO 66 2HG PRO 66 -18.882 16.543 16.543 22 2HG PRO 66 1HG PRO 66 -18.996 14.776 14.776 23 1HD PRO 66 1HD PRO 66 -17.189 16.653 16.653 24 2HD PRO 66 2HD PRO 66 -18.073 15.232 15.232 25 H HIS 67 H HIS 67 -14.520 16.092 16.092 26 HA HIS 67 HA HIS 67 -12.772 16.719 16.719 27 1HB HIS 67 1HB HIS 67 -13.994 18.530 18.530 28 2HB HIS 67 2HB HIS 67 -12.582 18.255 18.255 29 HD1 HIS 67 HD1 HIS 67 -11.619 20.620 20.620 30 HD2 HIS 67 HD2 HIS 67 -12.171 18.284 18.284 31 HE1 HIS 67 HE1 HIS 67 -10.408 21.800 21.800 32 H GLN 68 H GLN 68 -10.600 16.320 16.320 33 HA GLN 68 HA GLN 68 -8.632 15.423 15.423 34 1HB GLN 68 1HB GLN 68 -9.691 16.649 16.649 35 2HB GLN 68 2HB GLN 68 -9.237 15.032 15.032 36 1HG GLN 68 1HG GLN 68 -7.284 16.570 16.570 37 2HG GLN 68 2HG GLN 68 -7.543 17.055 17.055 38 1HE2 GLN 68 2HE2 GLN 68 -6.473 13.767 13.767 39 2HE2 GLN 68 1HE2 GLN 68 -7.866 14.780 14.780 40 H TRP 69 H TRP 69 -11.103 14.049 14.049 41 HA TRP 69 HA TRP 69 -10.162 11.442 11.442 42 1HB TRP 69 2HB TRP 69 -12.742 12.781 12.781 43 2HB TRP 69 1HB TRP 69 -12.857 11.066 11.066 44 HD1 TRP 69 HD1 TRP 69 -9.804 12.281 12.281 45 HE1 TRP 69 HE1 TRP 69 -9.930 11.411 11.411 46 HE3 TRP 69 HE3 TRP 69 -14.558 10.407 10.407 47 HZ2 TRP 69 2HZ TRP 69 -11.799 10.103 10.103 48 HZ3 TRP 69 HZ3 TRP 69 -15.440 9.362 9.362 49 HH2 TRP 69 HH2 TRP 69 -14.088 9.214 9.214 50 H GLN 70 H GLN 70 -12.494 12.936 12.936 51 HA GLN 70 HA GLN 70 -13.297 10.794 10.794 52 1HB GLN 70 1HB GLN 70 -13.861 12.321 12.321 53 2HB GLN 70 2HB GLN 70 -14.030 13.199 13.199 54 1HG GLN 70 2HG GLN 70 -12.019 14.392 14.392 55 2HG GLN 70 1HG GLN 70 -11.561 13.348 13.348 56 1HE2 GLN 70 1HE2 GLN 70 -14.028 14.816 14.816 57 2HE2 GLN 70 2HE2 GLN 70 -13.491 13.258 13.258 58 H ALA 71 H ALA 71 -10.265 12.542 12.542 59 HA ALA 71 HA ALA 71 -9.388 11.098 11.098 60 1HB ALA 71 2HB ALA 71 -8.716 13.413 13.413 61 2HB ALA 71 1HB ALA 71 -7.881 12.974 12.974 62 3HB ALA 71 3HB ALA 71 -7.307 12.352 12.352 63 H ASP 72 H ASP 72 -8.143 11.344 11.344 64 HA ASP 72 HA ASP 72 -6.206 9.424 9.424 65 1HB ASP 72 2HB ASP 72 -8.102 9.932 9.932 66 2HB ASP 72 1HB ASP 72 -6.554 9.097 9.097 67 H GLU 73 H GLU 73 -9.657 8.942 8.942 68 HA GLU 73 HA GLU 73 -9.835 6.289 6.289 69 1HB GLU 73 1HB GLU 73 -11.531 8.197 8.197 70 2HB GLU 73 2HB GLU 73 -11.618 6.723 6.723 71 1HG GLU 73 2HG GLU 73 -12.644 5.552 5.552 72 2HG GLU 73 1HG GLU 73 -11.815 6.419 6.419 73 H GLU 74 H GLU 74 -9.028 7.667 7.667 74 HA GLU 74 HA GLU 74 -8.579 5.000 5.000 75 1HB GLU 74 1HB GLU 74 -9.746 6.339 6.339 76 2HB GLU 74 2HB GLU 74 -8.718 7.735 7.735 77 1HG GLU 74 1HG GLU 74 -7.361 5.364 5.364 78 2HG GLU 74 2HG GLU 74 -8.545 6.123 6.123 79 H ALA 75 H ALA 75 -6.831 7.483 7.483 80 HA ALA 75 HA ALA 75 -4.338 7.286 7.286 81 1HB ALA 75 2HB ALA 75 -5.006 7.923 7.923 82 2HB ALA 75 1HB ALA 75 -3.403 8.104 8.104 83 3HB ALA 75 3HB ALA 75 -4.750 9.071 9.071 84 H VAL 76 H VAL 76 -5.811 5.419 5.419 85 HA VAL 76 HA VAL 76 -3.578 3.738 3.738 86 HB VAL 76 HB VAL 76 -6.539 3.398 3.398 87 1HG1 VAL 76 1HG1 VAL 76 -4.415 1.409 1.409 88 2HG1 VAL 76 3HG1 VAL 76 -5.302 1.622 1.622 89 3HG1 VAL 76 2HG1 VAL 76 -6.167 1.206 1.206 90 1HG2 VAL 76 1HG2 VAL 76 -4.746 4.987 4.987 91 2HG2 VAL 76 3HG2 VAL 76 -6.188 4.312 4.312 92 3HG2 VAL 76 2HG2 VAL 76 -4.628 3.511 3.511 93 H ARG 77 H ARG 77 -6.509 3.372 3.372 94 HA ARG 77 HA ARG 77 -6.137 0.847 0.847 95 1HB ARG 77 2HB ARG 77 -7.174 3.265 3.265 96 2HB ARG 77 1HB ARG 77 -7.524 1.590 1.590 97 1HG ARG 77 2HG ARG 77 -8.456 1.502 1.502 98 2HG ARG 77 1HG ARG 77 -8.559 3.251 3.251 99 1HD ARG 77 1HD ARG 77 -9.619 1.614 1.614 100 2HD ARG 77 2HD ARG 77 -10.526 1.574 1.574 101 HE ARG 77 HE ARG 77 -10.355 3.751 3.751 102 1HH1 ARG 77 2HH1 ARG 77 -10.861 2.898 2.898 103 2HH1 ARG 77 1HH1 ARG 77 -11.767 4.329 4.329 104 1HH2 ARG 77 2HH2 ARG 77 -11.548 5.638 5.638 105 2HH2 ARG 77 1HH2 ARG 77 -12.157 5.886 5.886 106 H SER 78 H SER 78 -5.050 3.935 3.935 107 HA SER 78 HA SER 78 -3.515 2.598 2.598 108 1HB SER 78 2HB SER 78 -4.517 5.230 5.230 109 2HB SER 78 1HB SER 78 -2.772 5.345 5.345 110 HG SER 78 HG SER 78 -3.147 5.069 5.069 111 H ALA 79 H ALA 79 -2.955 2.993 2.993 112 HA ALA 79 HA ALA 79 -1.126 2.817 2.817 113 1HB ALA 79 1HB ALA 79 -0.037 1.949 1.949 114 2HB ALA 79 3HB ALA 79 1.079 2.243 2.243 115 3HB ALA 79 2HB ALA 79 -0.205 1.046 1.046 116 H THR 80 H THR 80 -1.398 5.100 5.100 117 HA THR 80 HA THR 80 0.975 6.560 6.560 118 HB THR 80 HB THR 80 0.549 6.913 6.913 119 HG1 THR 80 1HG THR 80 1.140 8.857 8.857 120 1HG2 THR 80 3HG2 THR 80 -2.271 7.331 7.331 121 2HG2 THR 80 2HG2 THR 80 -1.659 8.171 8.171 122 3HG2 THR 80 1HG2 THR 80 -1.612 6.409 6.409 123 H CYS 81 H CYS 81 -0.738 5.980 5.980 124 HA CYS 81 HA CYS 81 -2.050 8.550 8.550 125 1HB CYS 81 2HB CYS 81 -3.044 5.990 5.990 126 2HB CYS 81 1HB CYS 81 -2.511 6.371 6.371 127 HG CYS 81 HG CYS 81 -5.055 7.105 7.105 128 H SER 82 H SER 82 -1.898 9.285 9.285 129 HA SER 82 HA SER 82 0.229 8.347 8.347 130 1HB SER 82 2HB SER 82 1.291 10.830 10.830 131 2HB SER 82 1HB SER 82 1.880 9.412 9.412 132 HG SER 82 HG SER 82 0.282 11.528 11.528 133 H PHE 83 H PHE 83 0.212 9.271 9.271 134 HA PHE 83 HA PHE 83 -1.381 11.608 11.608 135 1HB PHE 83 1HB PHE 83 -2.275 8.876 8.876 136 2HB PHE 83 2HB PHE 83 -2.857 10.380 10.380 137 HD1 PHE 83 HD1 PHE 83 -3.975 12.055 12.055 138 HD2 PHE 83 HD2 PHE 83 -3.338 7.957 7.957 139 HE1 PHE 83 HE1 PHE 83 -5.724 12.188 12.188 140 HE2 PHE 83 HE2 PHE 83 -5.084 8.083 8.083 141 HZ PHE 83 HZ PHE 83 -6.281 10.201 10.201 142 H SER 84 H SER 84 -0.541 12.655 12.655 143 HA SER 84 HA SER 84 1.803 11.896 11.896 144 1HB SER 84 1HB SER 84 0.520 14.198 14.198 145 2HB SER 84 2HB SER 84 -0.135 13.650 13.650 146 HG SER 84 HG SER 84 2.136 13.296 13.296 147 H VAL 85 H VAL 85 2.194 11.364 11.364 148 HA VAL 85 HA VAL 85 0.143 10.340 10.340 149 HB VAL 85 HB VAL 85 0.079 8.576 8.576 150 1HG1 VAL 85 1HG2 VAL 85 2.995 8.359 8.359 151 2HG1 VAL 85 3HG2 VAL 85 2.098 6.993 6.993 152 3HG1 VAL 85 2HG2 VAL 85 2.222 8.495 8.495 153 1HG2 VAL 85 3HG1 VAL 85 -0.402 8.101 8.101 154 2HG2 VAL 85 2HG1 VAL 85 0.197 6.702 6.702 155 3HG2 VAL 85 1HG1 VAL 85 1.271 7.580 7.580 156 H LYS 86 H LYS 86 0.984 9.266 9.266 157 HA LYS 86 HA LYS 86 3.742 10.117 10.117 158 1HB LYS 86 2HB LYS 86 1.258 9.960 9.960 159 2HB LYS 86 1HB LYS 86 2.815 9.764 9.764 160 1HG LYS 86 2HG LYS 86 2.772 12.053 12.053 161 2HG LYS 86 1HG LYS 86 1.531 12.144 12.144 162 1HD LYS 86 1HD LYS 86 3.631 11.327 11.327 163 2HD LYS 86 2HD LYS 86 4.472 12.251 12.251 164 1HE LYS 86 1HE LYS 86 2.821 14.117 14.117 165 2HE LYS 86 2HE LYS 86 2.346 13.201 13.201 166 1HZ LYS 86 3HZ LYS 86 5.128 13.360 13.360 167 2HZ LYS 86 2HZ LYS 86 4.544 14.917 14.917 168 3HZ LYS 86 1HZ LYS 86 4.050 14.091 14.091 169 H TYR 87 H TYR 87 4.131 7.978 7.978 170 HA TYR 87 HA TYR 87 3.548 5.499 5.499 171 1HB TYR 87 1HB TYR 87 4.894 6.395 6.395 172 2HB TYR 87 2HB TYR 87 6.151 5.592 5.592 173 HD1 TYR 87 HD2 TYR 87 6.040 3.198 3.198 174 HD2 TYR 87 HD1 TYR 87 3.066 5.140 5.140 175 HE1 TYR 87 HE2 TYR 87 5.268 1.013 1.013 176 HE2 TYR 87 HE1 TYR 87 2.284 2.960 2.960 177 HH TYR 87 HH2 TYR 87 3.963 0.246 0.246 178 H LEU 88 H LEU 88 4.271 4.500 4.500 179 HA LEU 88 HA LEU 88 6.306 5.713 5.713 180 1HB LEU 88 1HB LEU 88 4.636 3.225 3.225 181 2HB LEU 88 2HB LEU 88 5.898 3.633 3.633 182 HG LEU 88 HG LEU 88 4.742 5.661 5.661 183 1HD1 LEU 88 3HD2 LEU 88 2.810 4.910 4.910 184 2HD1 LEU 88 2HD2 LEU 88 2.470 6.115 6.115 185 3HD1 LEU 88 1HD2 LEU 88 3.800 6.364 6.364 186 1HD2 LEU 88 2HD1 LEU 88 2.939 3.248 3.248 187 2HD2 LEU 88 1HD1 LEU 88 4.089 3.678 3.678 188 3HD2 LEU 88 3HD1 LEU 88 2.661 4.678 4.678 189 H GLY 89 H GLY 89 6.057 3.018 3.018 190 1HA GLY 89 2HA GLY 89 8.230 2.487 2.487 191 2HA GLY 89 1HA GLY 89 8.903 2.404 2.404 192 H CYS 90 H CYS 90 9.583 0.240 0.240 193 HA CYS 90 HA CYS 90 7.395 -1.720 -1.720 194 1HB CYS 90 2HB CYS 90 10.250 -2.232 -2.232 195 2HB CYS 90 1HB CYS 90 8.852 -3.272 -3.272 196 HG CYS 90 HG CYS 90 9.641 -1.779 -1.779 197 H VAL 91 H VAL 91 7.471 -3.476 -3.476 198 HA VAL 91 HA VAL 91 9.455 -3.298 -3.298 199 HB VAL 91 HB VAL 91 6.854 -2.583 -2.583 200 1HG1 VAL 91 1HG2 VAL 91 6.387 -5.169 -5.169 201 2HG1 VAL 91 3HG2 VAL 91 6.797 -5.163 -5.163 202 3HG1 VAL 91 2HG2 VAL 91 5.472 -4.161 -4.161 203 1HG2 VAL 91 1HG1 VAL 91 8.798 -3.656 -3.656 204 2HG2 VAL 91 3HG1 VAL 91 8.497 -1.980 -1.980 205 3HG2 VAL 91 2HG1 VAL 91 7.279 -2.877 -2.877 206 H GLU 92 H GLU 92 9.382 -5.382 -5.382 207 HA GLU 92 HA GLU 92 9.725 -7.601 -7.601 208 1HB GLU 92 1HB GLU 92 10.666 -8.732 -8.732 209 2HB GLU 92 2HB GLU 92 11.565 -7.366 -7.366 210 1HG GLU 92 1HG GLU 92 11.092 -6.029 -6.029 211 2HG GLU 92 2HG GLU 92 9.543 -6.808 -6.808 212 H VAL 93 H VAL 93 8.610 -9.511 -9.511 213 HA VAL 93 HA VAL 93 6.726 -10.096 -10.096 214 HB VAL 93 HB VAL 93 4.739 -10.186 -10.186 215 1HG1 VAL 93 3HG1 VAL 93 5.377 -8.140 -8.140 216 2HG1 VAL 93 2HG1 VAL 93 5.915 -7.424 -7.424 217 3HG1 VAL 93 1HG1 VAL 93 4.224 -7.882 -7.882 218 1HG2 VAL 93 2HG2 VAL 93 6.123 -10.420 -10.420 219 2HG2 VAL 93 1HG2 VAL 93 4.673 -9.419 -9.419 220 3HG2 VAL 93 3HG2 VAL 93 6.260 -8.662 -8.662 221 H PHE 94 H PHE 94 5.287 -12.071 -12.071 222 HA PHE 94 HA PHE 94 7.026 -13.839 -13.839 223 1HB PHE 94 1HB PHE 94 6.234 -14.113 -14.113 224 2HB PHE 94 2HB PHE 94 5.864 -15.541 -15.541 225 HD1 PHE 94 HD2 PHE 94 7.631 -16.847 -16.847 226 HD2 PHE 94 HD1 PHE 94 8.510 -13.438 -13.438 227 HE1 PHE 94 HE2 PHE 94 9.978 -17.569 -17.569 228 HE2 PHE 94 HE1 PHE 94 10.858 -14.155 -14.155 229 HZ PHE 94 HZ PHE 94 11.595 -16.222 -16.222 230 H GLU 95 H GLU 95 4.370 -12.346 -12.346 231 HA GLU 95 HA GLU 95 3.071 -14.538 -14.538 232 1HB GLU 95 1HB GLU 95 1.601 -12.945 -12.945 233 2HB GLU 95 2HB GLU 95 0.846 -14.046 -14.046 234 1HG GLU 95 1HG GLU 95 1.010 -15.360 -15.360 235 2HG GLU 95 2HG GLU 95 2.484 -15.790 -15.790 236 H SER 96 H SER 96 2.854 -13.770 -13.770 237 HA SER 96 HA SER 96 2.047 -10.964 -10.964 238 1HB SER 96 2HB SER 96 4.006 -12.595 -12.595 239 2HB SER 96 1HB SER 96 2.784 -12.080 -12.080 240 HG SER 96 HG SER 96 4.367 -10.446 -10.446 241 H ARG 97 H ARG 97 0.354 -13.329 -13.329 242 HA ARG 97 HA ARG 97 -1.549 -13.009 -13.009 243 1HB ARG 97 1HB ARG 97 -0.126 -15.244 -15.244 244 2HB ARG 97 2HB ARG 97 -1.302 -15.705 -15.705 245 1HG ARG 97 2HG ARG 97 -2.724 -14.602 -14.602 246 2HG ARG 97 1HG ARG 97 -1.560 -15.765 -15.765 247 1HD ARG 97 2HD ARG 97 -3.734 -16.219 -16.219 248 2HD ARG 97 1HD ARG 97 -3.526 -16.992 -16.992 249 HE ARG 97 HE ARG 97 -2.254 -17.719 -17.719 250 1HH1 ARG 97 1HH1 ARG 97 -2.068 -17.866 -17.866 251 2HH1 ARG 97 2HH1 ARG 97 -1.065 -19.278 -19.278 252 1HH2 ARG 97 1HH2 ARG 97 -0.934 -19.579 -19.579 253 2HH2 ARG 97 2HH2 ARG 97 -0.420 -20.252 -20.252 254 H GLY 98 H GLY 98 -1.431 -11.807 -11.807 255 1HA GLY 98 1HA GLY 98 -3.993 -12.820 -12.820 256 2HA GLY 98 2HA GLY 98 -2.661 -12.535 -12.535 257 H MET 99 H MET 99 -5.331 -11.178 -11.178 258 HA MET 99 HA MET 99 -4.743 -8.507 -8.507 259 1HB MET 99 2HB MET 99 -6.932 -9.674 -9.674 260 2HB MET 99 1HB MET 99 -7.316 -9.531 -9.531 261 1HG MET 99 1HG MET 99 -6.566 -7.104 -7.104 262 2HG MET 99 2HG MET 99 -8.194 -7.766 -7.766 263 1HE MET 99 3HE MET 99 -6.758 -5.097 -5.097 264 2HE MET 99 2HE MET 99 -7.497 -4.501 -4.501 265 3HE MET 99 1HE MET 99 -5.953 -5.353 -5.353 266 H GLN 100 H GLN 100 -5.035 -10.347 -10.347 267 HA GLN 100 HA GLN 100 -5.371 -8.106 -8.106 268 1HB GLN 100 1HB GLN 100 -4.376 -10.868 -10.868 269 2HB GLN 100 2HB GLN 100 -5.113 -9.691 -9.691 270 1HG GLN 100 2HG GLN 100 -7.116 -10.515 -10.515 271 2HG GLN 100 1HG GLN 100 -6.909 -10.198 -10.198 272 1HE2 GLN 100 2HE2 GLN 100 -6.960 -13.560 -13.560 273 2HE2 GLN 100 1HE2 GLN 100 -7.395 -11.935 -11.935 274 H VAL 101 H VAL 101 -2.694 -9.758 -9.758 275 HA VAL 101 HA VAL 101 -0.671 -8.936 -8.936 276 HB VAL 101 HB VAL 101 -0.317 -9.529 -9.529 277 1HG1 VAL 101 2HG1 VAL 101 1.504 -9.233 -9.233 278 2HG1 VAL 101 1HG1 VAL 101 1.914 -10.416 -10.416 279 3HG1 VAL 101 3HG1 VAL 101 1.717 -8.717 -8.717 280 1HG2 VAL 101 1HG2 VAL 101 -1.551 -11.329 -11.329 281 2HG2 VAL 101 3HG2 VAL 101 0.034 -11.835 -11.835 282 3HG2 VAL 101 2HG2 VAL 101 -0.201 -11.471 -11.471 283 H CYS 102 H CYS 102 -2.049 -7.506 -7.506 284 HA CYS 102 HA CYS 102 -0.184 -5.343 -5.343 285 1HB CYS 102 2HB CYS 102 -2.953 -5.363 -5.363 286 2HB CYS 102 1HB CYS 102 -1.541 -4.468 -4.468 287 HG CYS 102 HG CYS 102 -1.635 -7.565 -7.565 288 H GLU 103 H GLU 103 -3.535 -5.672 -5.672 289 HA GLU 103 HA GLU 103 -3.993 -3.062 -3.062 290 1HB GLU 103 2HB GLU 103 -5.260 -5.570 -5.570 291 2HB GLU 103 1HB GLU 103 -5.102 -4.895 -4.895 292 1HG GLU 103 1HG GLU 103 -6.073 -2.749 -2.749 293 2HG GLU 103 2HG GLU 103 -6.597 -3.828 -3.828 294 H GLU 104 H GLU 104 -2.288 -5.681 -5.681 295 HA GLU 104 HA GLU 104 -1.801 -4.088 -4.088 296 1HB GLU 104 1HB GLU 104 -0.715 -6.037 -6.037 297 2HB GLU 104 2HB GLU 104 -2.198 -6.557 -6.557 298 1HG GLU 104 1HG GLU 104 -0.876 -7.199 -7.199 299 2HG GLU 104 2HG GLU 104 0.592 -6.764 -6.764 300 H ALA 105 H ALA 105 0.022 -5.362 -5.362 301 HA ALA 105 HA ALA 105 2.593 -4.668 -4.668 302 1HB ALA 105 1HB ALA 105 1.208 -4.698 -4.698 303 2HB ALA 105 3HB ALA 105 2.919 -4.299 -4.299 304 3HB ALA 105 2HB ALA 105 2.332 -5.878 -5.878 305 H LEU 106 H LEU 106 0.156 -2.625 -2.625 306 HA LEU 106 HA LEU 106 1.617 -0.313 -0.313 307 1HB LEU 106 1HB LEU 106 -0.799 -0.841 -0.841 308 2HB LEU 106 2HB LEU 106 -1.235 -0.315 -0.315 309 HG LEU 106 HG LEU 106 0.338 1.487 1.487 310 1HD1 LEU 106 3HD1 LEU 106 -1.770 0.601 0.601 311 2HD1 LEU 106 2HD1 LEU 106 -2.662 1.484 1.484 312 3HD1 LEU 106 1HD1 LEU 106 -1.601 2.352 2.352 313 1HD2 LEU 106 3HD2 LEU 106 -0.806 1.639 1.639 314 2HD2 LEU 106 2HD2 LEU 106 0.184 2.822 2.822 315 3HD2 LEU 106 1HD2 LEU 106 -1.569 2.834 2.834 316 H LYS 107 H LYS 107 -0.152 -1.377 -1.377 317 HA LYS 107 HA LYS 107 0.382 0.859 0.859 318 1HB LYS 107 2HB LYS 107 -1.299 -0.635 -0.635 319 2HB LYS 107 1HB LYS 107 -0.234 -2.027 -2.027 320 1HG LYS 107 2HG LYS 107 0.448 0.142 0.142 321 2HG LYS 107 1HG LYS 107 -0.831 -1.005 -1.005 322 1HD LYS 107 2HD LYS 107 1.393 -2.453 -2.453 323 2HD LYS 107 1HD LYS 107 1.972 -1.352 -1.352 324 1HE LYS 107 1HE LYS 107 -0.335 -2.396 -2.396 325 2HE LYS 107 2HE LYS 107 0.367 -3.769 -3.769 326 1HZ LYS 107 2HZ LYS 107 2.469 -3.316 -3.316 327 2HZ LYS 107 1HZ LYS 107 1.692 -2.107 -2.107 328 3HZ LYS 107 3HZ LYS 107 1.203 -3.719 -3.719 329 H VAL 108 H VAL 108 2.173 -2.124 -2.124 330 HA VAL 108 HA VAL 108 4.188 -1.769 -1.769 331 HB VAL 108 HB VAL 108 4.477 -3.133 -3.133 332 1HG1 VAL 108 2HG1 VAL 108 5.993 -3.386 -3.386 333 2HG1 VAL 108 1HG1 VAL 108 6.156 -4.500 -4.500 334 3HG1 VAL 108 3HG1 VAL 108 6.606 -2.804 -2.804 335 1HG2 VAL 108 3HG2 VAL 108 2.732 -3.770 -3.770 336 2HG2 VAL 108 2HG2 VAL 108 3.106 -4.733 -4.733 337 3HG2 VAL 108 1HG2 VAL 108 4.048 -4.944 -4.944 338 H LEU 109 H LEU 109 3.751 -0.450 -0.450 339 HA LEU 109 HA LEU 109 6.408 0.430 0.430 340 1HB LEU 109 1HB LEU 109 3.751 1.043 1.043 341 2HB LEU 109 2HB LEU 109 5.084 2.129 2.129 342 HG LEU 109 HG LEU 109 4.984 0.577 0.577 343 1HD1 LEU 109 3HD2 LEU 109 7.235 1.003 1.003 344 2HD1 LEU 109 2HD2 LEU 109 7.139 -0.751 -0.751 345 3HD1 LEU 109 1HD2 LEU 109 7.169 -0.013 -0.013 346 1HD2 LEU 109 3HD1 LEU 109 3.617 -1.123 -1.123 347 2HD2 LEU 109 2HD1 LEU 109 5.021 -1.835 -1.835 348 3HD2 LEU 109 1HD1 LEU 109 5.016 -1.623 -1.623 349 H ARG 110 H ARG 110 3.828 1.655 1.655 350 HA ARG 110 HA ARG 110 4.970 4.324 4.324 351 1HB ARG 110 2HB ARG 110 2.399 3.374 3.374 352 2HB ARG 110 1HB ARG 110 2.866 3.662 3.662 353 1HG ARG 110 1HG ARG 110 3.435 5.966 5.966 354 2HG ARG 110 2HG ARG 110 3.004 5.683 5.683 355 1HD ARG 110 1HD ARG 110 0.705 5.033 5.033 356 2HD ARG 110 2HD ARG 110 1.196 5.685 5.685 357 HE ARG 110 HE ARG 110 1.555 7.501 7.501 358 1HH1 ARG 110 2HH1 ARG 110 -0.625 6.334 6.334 359 2HH1 ARG 110 1HH1 ARG 110 -1.589 7.773 7.773 360 1HH2 ARG 110 1HH2 ARG 110 0.292 9.398 9.398 361 2HH2 ARG 110 2HH2 ARG 110 -1.068 9.515 9.515 362 H GLN 111 H GLN 111 4.320 1.619 1.619 363 HA GLN 111 HA GLN 111 5.686 2.781 2.781 364 1HB GLN 111 2HB GLN 111 5.445 0.626 0.626 365 2HB GLN 111 1HB GLN 111 3.958 1.003 1.003 366 1HG GLN 111 2HG GLN 111 4.197 -1.141 -1.141 367 2HG GLN 111 1HG GLN 111 5.168 -0.374 -0.374 368 1HE2 GLN 111 2HE2 GLN 111 6.906 -2.676 -2.676 369 2HE2 GLN 111 1HE2 GLN 111 5.287 -2.099 -2.099 370 H SER 112 H SER 112 6.707 1.002 1.002 371 HA SER 112 HA SER 112 9.228 0.155 0.155 372 1HB SER 112 2HB SER 112 9.724 -0.589 -0.589 373 2HB SER 112 1HB SER 112 8.089 -1.081 -1.081 374 HG SER 112 HG SER 112 8.007 -0.196 -0.196 375 H ARG 113 H ARG 113 11.269 0.749 0.749 376 HA ARG 113 HA ARG 113 11.832 3.470 3.470 377 1HB ARG 113 2HB ARG 113 13.944 3.007 3.007 378 2HB ARG 113 1HB ARG 113 13.558 1.715 1.715 379 1HG ARG 113 2HG ARG 113 14.139 0.419 0.419 380 2HG ARG 113 1HG ARG 113 12.462 0.696 0.696 381 1HD ARG 113 1HD ARG 113 13.533 1.232 1.232 382 2HD ARG 113 2HD ARG 113 13.481 2.813 2.813 383 HE ARG 113 HE ARG 113 15.763 2.752 2.752 384 1HH1 ARG 113 1HH1 ARG 113 14.591 -0.402 -0.402 385 2HH1 ARG 113 2HH1 ARG 113 16.170 -1.049 -1.049 386 1HH2 ARG 113 1HH2 ARG 113 17.850 1.910 1.910 387 2HH2 ARG 113 2HH2 ARG 113 18.023 0.265 0.265 388 H ARG 114 H ARG 114 10.390 1.752 1.752 389 HA ARG 114 HA ARG 114 10.932 3.189 3.189 390 1HB ARG 114 2HB ARG 114 8.273 2.111 2.111 391 2HB ARG 114 1HB ARG 114 8.580 2.656 2.656 392 1HG ARG 114 2HG ARG 114 10.410 0.618 0.618 393 2HG ARG 114 1HG ARG 114 8.768 0.109 0.109 394 1HD ARG 114 1HD ARG 114 9.152 0.227 0.227 395 2HD ARG 114 2HD ARG 114 10.033 1.743 1.743 396 HE ARG 114 HE ARG 114 11.138 -0.951 -0.951 397 1HH1 ARG 114 1HH1 ARG 114 11.722 2.490 2.490 398 2HH1 ARG 114 2HH1 ARG 114 13.433 2.330 2.330 399 1HH2 ARG 114 1HH2 ARG 114 13.384 -1.143 -1.143 400 2HH2 ARG 114 2HH2 ARG 114 14.377 0.275 0.275 401 H ARG 115 H ARG 115 9.721 4.915 4.915 402 HA ARG 115 HA ARG 115 8.206 6.726 6.726 403 1HB ARG 115 1HB ARG 115 9.631 8.625 8.625 404 2HB ARG 115 2HB ARG 115 10.614 7.323 7.323 405 1HG ARG 115 2HG ARG 115 11.459 6.829 6.829 406 2HG ARG 115 1HG ARG 115 10.469 8.134 8.134 407 1HD ARG 115 1HD ARG 115 12.742 8.900 8.900 408 2HD ARG 115 2HD ARG 115 11.676 9.739 9.739 409 HE ARG 115 HE ARG 115 12.898 7.413 7.413 410 1HH1 ARG 115 1HH1 ARG 115 13.345 10.789 10.789 411 2HH1 ARG 115 2HH1 ARG 115 14.518 11.036 11.036 412 1HH2 ARG 115 1HH2 ARG 115 14.441 7.727 7.727 413 2HH2 ARG 115 2HH2 ARG 115 15.142 9.294 9.294 414 HA PRO 116 HA PRO 116 5.917 7.596 7.596 415 1HB PRO 116 2HB PRO 116 5.936 10.454 10.454 416 2HB PRO 116 1HB PRO 116 4.568 9.365 9.365 417 1HG PRO 116 1HG PRO 116 5.275 10.132 10.132 418 2HG PRO 116 2HG PRO 116 4.696 8.487 8.487 419 1HD PRO 116 2HD PRO 116 7.492 9.466 9.466 420 2HD PRO 116 1HD PRO 116 6.719 7.976 7.976 421 H VAL 117 H VAL 117 5.946 8.804 8.804 422 HA VAL 117 HA VAL 117 8.475 10.197 10.197 423 HB VAL 117 HB VAL 117 8.615 7.819 7.819 424 1HG1 VAL 117 2HG2 VAL 117 6.167 7.763 7.763 425 2HG1 VAL 117 1HG2 VAL 117 6.679 8.611 8.611 426 3HG1 VAL 117 3HG2 VAL 117 7.330 7.013 7.013 427 1HG2 VAL 117 2HG1 VAL 117 8.815 10.103 10.103 428 2HG2 VAL 117 1HG1 VAL 117 10.099 9.331 9.331 429 3HG2 VAL 117 3HG1 VAL 117 9.344 8.473 8.473 430 H ARG 118 H ARG 118 7.910 12.200 12.200 431 HA ARG 118 HA ARG 118 5.354 12.820 12.820 432 1HB ARG 118 2HB ARG 118 6.636 14.334 14.334 433 2HB ARG 118 1HB ARG 118 7.768 14.624 14.624 434 1HG ARG 118 2HG ARG 118 6.344 15.975 15.975 435 2HG ARG 118 1HG ARG 118 4.915 15.071 15.071 436 1HD ARG 118 2HD ARG 118 4.593 16.356 16.356 437 2HD ARG 118 1HD ARG 118 6.315 16.433 16.433 438 HE ARG 118 HE ARG 118 6.359 18.473 18.473 439 1HH1 ARG 118 1HH1 ARG 118 3.657 16.684 16.684 440 2HH1 ARG 118 2HH1 ARG 118 3.083 17.994 17.994 441 1HH2 ARG 118 1HH2 ARG 118 5.611 20.206 20.206 442 2HH2 ARG 118 2HH2 ARG 118 4.194 19.996 19.996 443 H GLY 119 H GLY 119 5.641 11.343 11.343 444 1HA GLY 119 2HA GLY 119 6.979 12.775 12.775 445 2HA GLY 119 1HA GLY 119 7.210 11.048 11.048 446 H LEU 120 H LEU 120 6.400 10.780 10.780 447 HA LEU 120 HA LEU 120 3.463 10.993 10.993 448 1HB LEU 120 2HB LEU 120 5.376 12.219 12.219 449 2HB LEU 120 1HB LEU 120 4.778 10.872 10.872 450 HG LEU 120 HG LEU 120 3.162 13.147 13.147 451 1HD1 LEU 120 3HD1 LEU 120 4.416 13.661 13.661 452 2HD1 LEU 120 2HD1 LEU 120 3.676 12.274 12.274 453 3HD1 LEU 120 1HD1 LEU 120 2.678 13.636 13.636 454 1HD2 LEU 120 2HD2 LEU 120 2.151 10.728 10.728 455 2HD2 LEU 120 1HD2 LEU 120 1.202 12.106 12.106 456 3HD2 LEU 120 3HD2 LEU 120 1.980 11.038 11.038 457 H LEU 121 H LEU 121 2.419 9.128 9.128 458 HA LEU 121 HA LEU 121 3.911 6.700 6.700 459 1HB LEU 121 1HB LEU 121 2.245 6.543 6.543 460 2HB LEU 121 2HB LEU 121 1.020 7.239 7.239 461 HG LEU 121 HG LEU 121 1.101 5.221 5.221 462 1HD1 LEU 121 1HD1 LEU 121 3.489 4.680 4.680 463 2HD1 LEU 121 3HD1 LEU 121 2.851 3.997 3.997 464 3HD1 LEU 121 2HD1 LEU 121 2.374 3.314 3.314 465 1HD2 LEU 121 3HD2 LEU 121 0.119 5.402 5.402 466 2HD2 LEU 121 2HD2 LEU 121 -0.584 4.581 4.581 467 3HD2 LEU 121 1HD2 LEU 121 0.569 3.736 3.736 468 H HIS 122 H HIS 122 4.444 6.386 6.386 469 HA HIS 122 HA HIS 122 2.821 7.333 7.333 470 1HB HIS 122 2HB HIS 122 5.444 5.980 5.980 471 2HB HIS 122 1HB HIS 122 4.595 5.723 5.723 472 HD1 HIS 122 HD1 HIS 122 4.459 7.717 7.717 473 HD2 HIS 122 HD2 HIS 122 6.282 8.615 8.615 474 HE1 HIS 122 HE1 HIS 122 5.527 9.992 9.992 475 H VAL 123 H VAL 123 0.880 6.338 6.338 476 HA VAL 123 HA VAL 123 0.816 3.404 3.404 477 HB VAL 123 HB VAL 123 -1.471 5.362 5.362 478 1HG1 VAL 123 1HG1 VAL 123 -1.543 2.787 2.787 479 2HG1 VAL 123 3HG1 VAL 123 -2.026 2.597 2.597 480 3HG1 VAL 123 2HG1 VAL 123 -2.909 3.704 3.704 481 1HG2 VAL 123 1HG2 VAL 123 0.326 4.319 4.319 482 2HG2 VAL 123 3HG2 VAL 123 -1.104 5.320 5.320 483 3HG2 VAL 123 2HG2 VAL 123 -1.246 3.562 3.562 484 H SER 124 H SER 124 1.127 2.683 2.683 485 HA SER 124 HA SER 124 -0.368 4.003 4.003 486 1HB SER 124 1HB SER 124 1.517 3.350 3.350 487 2HB SER 124 2HB SER 124 1.962 4.550 4.550 488 HG SER 124 HG SER 124 3.113 2.234 2.234 489 H GLY 125 H GLY 125 -1.386 1.883 1.883 490 1HA GLY 125 2HA GLY 125 -2.148 -0.294 -0.294 491 2HA GLY 125 1HA GLY 125 -2.481 0.189 0.189 492 H ASP 126 H ASP 126 0.717 -0.201 -0.201 493 HA ASP 126 HA ASP 126 1.115 -2.791 -2.791 494 1HB ASP 126 2HB ASP 126 1.361 -1.059 -1.059 495 2HB ASP 126 1HB ASP 126 2.838 -0.556 -0.556 496 H GLY 127 H GLY 127 2.600 0.061 0.061 497 1HA GLY 127 2HA GLY 127 4.113 -1.737 -1.737 498 2HA GLY 127 1HA GLY 127 5.029 -0.591 -0.591 499 H LEU 128 H LEU 128 3.855 -1.119 -1.119 500 HA LEU 128 HA LEU 128 2.981 1.567 1.567 501 1HB LEU 128 2HB LEU 128 3.169 -1.033 -1.033 502 2HB LEU 128 1HB LEU 128 3.381 0.380 0.380 503 HG LEU 128 HG LEU 128 1.187 0.926 0.926 504 1HD1 LEU 128 3HD2 LEU 128 1.391 0.256 0.256 505 2HD1 LEU 128 2HD2 LEU 128 -0.204 0.107 0.107 506 3HD1 LEU 128 1HD2 LEU 128 0.652 1.646 1.646 507 1HD2 LEU 128 3HD1 LEU 128 1.334 -1.466 -1.466 508 2HD2 LEU 128 2HD1 LEU 128 -0.234 -0.997 -0.997 509 3HD2 LEU 128 1HD1 LEU 128 0.912 -1.897 -1.897 510 H ARG 129 H ARG 129 4.749 2.875 2.875 511 HA ARG 129 HA ARG 129 7.195 2.354 2.354 512 1HB ARG 129 1HB ARG 129 6.798 4.210 4.210 513 2HB ARG 129 2HB ARG 129 8.330 3.820 3.820 514 1HG ARG 129 2HG ARG 129 7.724 1.371 1.371 515 2HG ARG 129 1HG ARG 129 6.627 2.137 2.137 516 1HD ARG 129 2HD ARG 129 8.297 2.735 2.735 517 2HD ARG 129 1HD ARG 129 9.284 3.319 3.319 518 HE ARG 129 HE ARG 129 10.434 1.355 1.355 519 1HH1 ARG 129 1HH1 ARG 129 7.360 0.889 0.889 520 2HH1 ARG 129 2HH1 ARG 129 7.722 -0.723 -0.723 521 1HH2 ARG 129 1HH2 ARG 129 10.922 -0.767 -0.767 522 2HH2 ARG 129 2HH2 ARG 129 9.747 -1.665 -1.665 523 H VAL 130 H VAL 130 6.834 3.271 3.271 524 HA VAL 130 HA VAL 130 5.739 5.965 5.965 525 HB VAL 130 HB VAL 130 4.912 4.409 4.409 526 1HG1 VAL 130 2HG2 VAL 130 7.673 3.579 3.579 527 2HG1 VAL 130 1HG2 VAL 130 7.031 3.873 3.873 528 3HG1 VAL 130 3HG2 VAL 130 6.222 2.734 2.734 529 1HG2 VAL 130 2HG1 VAL 130 5.491 6.832 6.832 530 2HG2 VAL 130 1HG1 VAL 130 5.151 5.689 5.689 531 3HG2 VAL 130 3HG1 VAL 130 6.818 6.124 6.124 532 H VAL 131 H VAL 131 7.153 7.530 7.530 533 HA VAL 131 HA VAL 131 9.951 7.276 7.276 534 HB VAL 131 HB VAL 131 8.751 9.612 9.612 535 1HG1 VAL 131 1HG1 VAL 131 11.493 8.478 8.478 536 2HG1 VAL 131 3HG1 VAL 131 11.122 9.475 9.475 537 3HG1 VAL 131 2HG1 VAL 131 10.926 10.133 10.133 538 1HG2 VAL 131 2HG2 VAL 131 8.923 6.885 6.885 539 2HG2 VAL 131 1HG2 VAL 131 8.218 8.295 8.295 540 3HG2 VAL 131 3HG2 VAL 131 9.937 7.946 7.946 541 H ASP 132 H ASP 132 11.039 9.190 9.190 542 HA ASP 132 HA ASP 132 9.311 10.485 10.485 543 1HB ASP 132 2HB ASP 132 11.016 9.028 9.028 544 2HB ASP 132 1HB ASP 132 12.279 9.892 9.892 545 H ASP 133 H ASP 133 9.279 12.673 12.673 546 HA ASP 133 HA ASP 133 10.366 14.168 14.168 547 1HB ASP 133 2HB ASP 133 8.103 14.571 14.571 548 2HB ASP 133 1HB ASP 133 8.939 15.253 15.253 549 H GLU 134 H GLU 134 11.873 13.102 13.102 550 HA GLU 134 HA GLU 134 13.484 15.551 15.551 551 1HB GLU 134 1HB GLU 134 12.195 14.579 14.579 552 2HB GLU 134 2HB GLU 134 13.467 13.366 13.366 553 1HG GLU 134 2HG GLU 134 15.092 14.876 14.876 554 2HG GLU 134 1HG GLU 134 14.205 16.250 16.250 555 H THR 135 H THR 135 13.518 12.081 12.081 556 HA THR 135 HA THR 135 16.423 12.222 12.222 557 HB THR 135 HB THR 135 16.462 9.792 9.792 558 HG1 THR 135 1HG THR 135 14.685 8.717 8.717 559 1HG2 THR 135 2HG2 THR 135 15.813 11.834 11.834 560 2HG2 THR 135 1HG2 THR 135 15.346 10.212 10.212 561 3HG2 THR 135 3HG2 THR 135 17.017 10.546 10.546 562 H LYS 136 H LYS 136 13.345 11.449 11.449 563 HA LYS 136 HA LYS 136 12.696 10.845 10.845 564 1HB LYS 136 1HB LYS 136 15.370 12.048 12.048 565 2HB LYS 136 2HB LYS 136 14.778 11.042 11.042 566 1HG LYS 136 1HG LYS 136 14.107 13.219 13.219 567 2HG LYS 136 2HG LYS 136 12.656 12.430 12.430 568 1HD LYS 136 2HD LYS 136 12.617 13.691 13.691 569 2HD LYS 136 1HD LYS 136 14.372 13.875 13.875 570 1HE LYS 136 1HE LYS 136 14.223 15.859 15.859 571 2HE LYS 136 2HE LYS 136 13.355 15.149 15.149 572 1HZ LYS 136 2HZ LYS 136 11.595 15.364 15.364 573 2HZ LYS 136 1HZ LYS 136 12.363 16.858 16.858 574 3HZ LYS 136 3HZ LYS 136 11.524 16.159 16.159 575 H GLY 137 H GLY 137 14.206 8.946 8.946 576 1HA GLY 137 1HA GLY 137 15.205 6.988 6.988 577 2HA GLY 137 2HA GLY 137 15.362 6.890 6.890 578 H LEU 138 H LEU 138 13.992 5.379 5.379 579 HA LEU 138 HA LEU 138 11.297 5.079 5.079 580 1HB LEU 138 2HB LEU 138 13.075 3.983 3.983 581 2HB LEU 138 1HB LEU 138 12.459 2.607 2.607 582 HG LEU 138 HG LEU 138 10.914 2.680 2.680 583 1HD1 LEU 138 3HD1 LEU 138 9.946 3.589 3.589 584 2HD1 LEU 138 2HD1 LEU 138 9.360 4.808 4.808 585 3HD1 LEU 138 1HD1 LEU 138 8.968 3.109 3.109 586 1HD2 LEU 138 2HD2 LEU 138 11.655 5.543 5.543 587 2HD2 LEU 138 1HD2 LEU 138 11.560 4.316 4.316 588 3HD2 LEU 138 3HD2 LEU 138 10.084 5.055 5.055 589 H ILE 139 H ILE 139 10.270 4.112 4.112 590 HA ILE 139 HA ILE 139 11.808 2.578 2.578 591 HB ILE 139 HB ILE 139 8.879 3.168 3.168 592 1HG1 ILE 139 2HG1 ILE 139 11.076 5.031 5.031 593 2HG1 ILE 139 1HG1 ILE 139 10.191 5.262 5.262 594 1HG2 ILE 139 3HG2 ILE 139 10.608 1.764 1.764 595 2HG2 ILE 139 2HG2 ILE 139 10.645 3.359 3.359 596 3HG2 ILE 139 1HG2 ILE 139 9.111 2.511 2.511 597 1HD1 ILE 139 1HD1 ILE 139 8.097 5.150 5.150 598 2HD1 ILE 139 3HD1 ILE 139 9.252 5.542 5.542 599 3HD1 ILE 139 2HD1 ILE 139 9.048 6.632 6.632 600 H VAL 140 H VAL 140 9.509 2.107 2.107 601 HA VAL 140 HA VAL 140 9.632 -0.774 -0.774 602 HB VAL 140 HB VAL 140 6.982 0.487 0.487 603 1HG1 VAL 140 2HG1 VAL 140 7.900 -2.226 -2.226 604 2HG1 VAL 140 1HG1 VAL 140 6.213 -1.721 -1.721 605 3HG1 VAL 140 3HG1 VAL 140 7.022 -1.796 -1.796 606 1HG2 VAL 140 2HG2 VAL 140 7.689 1.379 1.379 607 2HG2 VAL 140 1HG2 VAL 140 6.346 0.249 0.249 608 3HG2 VAL 140 3HG2 VAL 140 7.988 -0.259 -0.259 609 H ASP 141 H ASP 141 11.151 -0.004 -0.004 610 HA ASP 141 HA ASP 141 9.910 0.567 0.567 611 1HB ASP 141 1HB ASP 141 12.165 0.174 0.174 612 2HB ASP 141 2HB ASP 141 12.209 1.279 1.279 613 H GLN 142 H GLN 142 8.384 -1.373 -1.373 614 HA GLN 142 HA GLN 142 9.412 -3.701 -3.701 615 1HB GLN 142 1HB GLN 142 8.933 -3.745 -3.745 616 2HB GLN 142 2HB GLN 142 7.387 -4.288 -4.288 617 1HG GLN 142 1HG GLN 142 8.368 -6.148 -6.148 618 2HG GLN 142 2HG GLN 142 9.998 -5.519 -5.519 619 1HE2 GLN 142 2HE2 GLN 142 10.429 -7.007 -7.007 620 2HE2 GLN 142 1HE2 GLN 142 11.089 -6.137 -6.137 621 H THR 143 H THR 143 7.726 -5.028 -5.028 622 HA THR 143 HA THR 143 5.719 -3.412 -3.412 623 HB THR 143 HB THR 143 6.248 -6.384 -6.384 624 HG1 THR 143 1HG THR 143 7.192 -5.735 -5.735 625 1HG2 THR 143 3HG2 THR 143 4.031 -4.981 -4.981 626 2HG2 THR 143 2HG2 THR 143 5.071 -5.282 -5.282 627 3HG2 THR 143 1HG2 THR 143 4.526 -6.629 -6.629 628 H ILE 144 H ILE 144 3.503 -3.527 -3.527 629 HA ILE 144 HA ILE 144 2.463 -4.069 -4.069 630 HB ILE 144 HB ILE 144 1.477 -2.492 -2.492 631 1HG1 ILE 144 1HG1 ILE 144 -0.683 -4.402 -4.402 632 2HG1 ILE 144 2HG1 ILE 144 0.299 -3.655 -3.655 633 1HG2 ILE 144 1HG2 ILE 144 1.553 -4.512 -4.512 634 2HG2 ILE 144 3HG2 ILE 144 -0.120 -4.654 -4.654 635 3HG2 ILE 144 2HG2 ILE 144 0.458 -3.137 -3.137 636 1HD1 ILE 144 2HD1 ILE 144 -0.312 -1.436 -1.436 637 2HD1 ILE 144 1HD1 ILE 144 -1.413 -2.256 -2.256 638 3HD1 ILE 144 3HD1 ILE 144 -1.675 -2.355 -2.355 639 H GLU 145 H GLU 145 2.730 -6.020 -6.020 640 HA GLU 145 HA GLU 145 0.960 -8.091 -8.091 641 1HB GLU 145 2HB GLU 145 1.212 -7.824 -7.824 642 2HB GLU 145 1HB GLU 145 2.965 -7.874 -7.874 643 1HG GLU 145 1HG GLU 145 3.035 -10.102 -10.102 644 2HG GLU 145 2HG GLU 145 1.626 -10.278 -10.278 645 H LYS 146 H LYS 146 4.367 -7.396 -7.396 646 HA LYS 146 HA LYS 146 5.128 -10.032 -10.032 647 1HB LYS 146 1HB LYS 146 6.633 -8.289 -8.289 648 2HB LYS 146 2HB LYS 146 6.670 -7.484 -7.484 649 1HG LYS 146 1HG LYS 146 7.765 -9.320 -9.320 650 2HG LYS 146 2HG LYS 146 7.490 -10.350 -10.350 651 1HD LYS 146 2HD LYS 146 8.829 -8.217 -8.217 652 2HD LYS 146 1HD LYS 146 9.589 -8.379 -8.379 653 1HE LYS 146 2HE LYS 146 9.163 -10.882 -10.882 654 2HE LYS 146 1HE LYS 146 10.357 -9.768 -9.768 655 1HZ LYS 146 3HZ LYS 146 10.690 -10.038 -10.038 656 2HZ LYS 146 2HZ LYS 146 10.726 -11.558 -11.558 657 3HZ LYS 146 1HZ LYS 146 11.797 -10.348 -10.348 658 H VAL 147 H VAL 147 3.754 -7.292 -7.292 659 HA VAL 147 HA VAL 147 4.708 -7.901 -7.901 660 HB VAL 147 HB VAL 147 2.253 -6.265 -6.265 661 1HG1 VAL 147 2HG1 VAL 147 4.462 -6.588 -6.588 662 2HG1 VAL 147 1HG1 VAL 147 4.256 -4.894 -4.894 663 3HG1 VAL 147 3HG1 VAL 147 2.907 -5.794 -5.794 664 1HG2 VAL 147 1HG2 VAL 147 4.891 -5.456 -5.456 665 2HG2 VAL 147 3HG2 VAL 147 3.291 -5.416 -5.416 666 3HG2 VAL 147 2HG2 VAL 147 3.696 -4.277 -4.277 667 H SER 148 H SER 148 3.036 -8.222 -8.222 668 HA SER 148 HA SER 148 1.517 -10.590 -10.590 669 1HB SER 148 2HB SER 148 2.882 -9.724 -9.724 670 2HB SER 148 1HB SER 148 1.183 -9.626 -9.626 671 HG SER 148 HG SER 148 2.716 -11.852 -11.852 672 H PHE 149 H PHE 149 0.743 -7.530 -7.530 673 HA PHE 149 HA PHE 149 -1.269 -6.569 -6.569 674 1HB PHE 149 1HB PHE 149 -2.748 -8.761 -8.761 675 2HB PHE 149 2HB PHE 149 -3.287 -7.763 -7.763 676 HD1 PHE 149 HD1 PHE 149 -1.115 -8.006 -8.006 677 HD2 PHE 149 HD2 PHE 149 -2.847 -10.951 -10.951 678 HE1 PHE 149 HE1 PHE 149 -0.433 -9.764 -9.764 679 HE2 PHE 149 HE2 PHE 149 -2.168 -12.714 -12.714 680 HZ PHE 149 HZ PHE 149 -0.960 -12.122 -12.122 681 H CYS 150 H CYS 150 -2.412 -4.999 -4.999 682 HA CYS 150 HA CYS 150 -1.799 -4.496 -4.496 683 1HB CYS 150 1HB CYS 150 -3.024 -2.423 -2.423 684 2HB CYS 150 2HB CYS 150 -1.989 -2.695 -2.695 685 HG CYS 150 HG CYS 150 -4.406 -1.922 -1.922 686 H ALA 151 H ALA 151 -3.945 -3.446 -3.446 687 HA ALA 151 HA ALA 151 -6.299 -5.025 -5.025 688 1HB ALA 151 1HB ALA 151 -4.223 -5.877 -5.877 689 2HB ALA 151 3HB ALA 151 -5.892 -5.885 -5.885 690 3HB ALA 151 2HB ALA 151 -5.443 -6.823 -6.823 691 HA PRO 152 HA PRO 152 -6.368 -0.810 -0.810 692 1HB PRO 152 1HB PRO 152 -8.469 -0.484 -0.484 693 2HB PRO 152 2HB PRO 152 -7.291 0.686 0.686 694 1HG PRO 152 1HG PRO 152 -6.983 -0.466 -0.466 695 2HG PRO 152 2HG PRO 152 -5.590 -0.142 -0.142 696 1HD PRO 152 2HD PRO 152 -6.976 -2.721 -2.721 697 2HD PRO 152 1HD PRO 152 -5.255 -2.397 -2.397 698 H ASP 153 H ASP 153 -7.400 -1.387 -1.387 699 HA ASP 153 HA ASP 153 -10.227 -1.520 -1.520 700 1HB ASP 153 1HB ASP 153 -9.712 -3.803 -3.803 701 2HB ASP 153 2HB ASP 153 -8.843 -4.144 -4.144 702 H ARG 154 H ARG 154 -9.562 0.145 0.145 703 HA ARG 154 HA ARG 154 -9.006 -0.973 -0.973 704 1HB ARG 154 1HB ARG 154 -7.740 1.411 1.411 705 2HB ARG 154 2HB ARG 154 -7.838 1.300 1.300 706 1HG ARG 154 1HG ARG 154 -5.689 0.519 0.519 707 2HG ARG 154 2HG ARG 154 -6.619 -0.845 -0.845 708 1HD ARG 154 1HD ARG 154 -6.742 -1.859 -1.859 709 2HD ARG 154 2HD ARG 154 -6.884 -0.337 -0.337 710 HE ARG 154 HE ARG 154 -4.324 -0.285 -0.285 711 1HH1 ARG 154 1HH1 ARG 154 -6.221 -2.770 -2.770 712 2HH1 ARG 154 2HH1 ARG 154 -4.869 -3.459 -3.459 713 1HH2 ARG 154 1HH2 ARG 154 -2.543 -1.188 -1.188 714 2HH2 ARG 154 2HH2 ARG 154 -2.781 -2.561 -2.561 715 H ASN 155 H ASN 155 -10.322 1.740 1.740 716 HA ASN 155 HA ASN 155 -11.923 3.297 3.297 717 1HB ASN 155 2HB ASN 155 -13.262 1.250 1.250 718 2HB ASN 155 1HB ASN 155 -13.180 0.901 0.901 719 1HD2 ASN 155 1HD2 ASN 155 -15.523 3.969 3.969 720 2HD2 ASN 155 2HD2 ASN 155 -14.163 3.430 3.430 721 H HIS 156 H HIS 156 -9.764 2.987 2.987 722 HA HIS 156 HA HIS 156 -11.183 4.069 4.069 723 1HB HIS 156 1HB HIS 156 -10.041 1.777 1.777 724 2HB HIS 156 2HB HIS 156 -8.525 2.667 2.667 725 HD1 HIS 156 HD1 HIS 156 -9.770 5.135 5.135 726 HD2 HIS 156 HD2 HIS 156 -9.600 1.110 1.110 727 HE1 HIS 156 HE1 HIS 156 -9.885 5.033 5.033 728 H GLU 157 H GLU 157 -8.381 4.310 4.310 729 HA GLU 157 HA GLU 157 -8.177 7.075 7.075 730 1HB GLU 157 2HB GLU 157 -6.006 5.061 5.061 731 2HB GLU 157 1HB GLU 157 -5.598 6.743 6.743 732 1HG GLU 157 2HG GLU 157 -7.221 7.296 7.296 733 2HG GLU 157 1HG GLU 157 -7.106 5.585 5.585 734 H ARG 158 H ARG 158 -8.700 5.288 5.288 735 HA ARG 158 HA ARG 158 -8.319 5.408 5.408 736 1HB ARG 158 2HB ARG 158 -7.376 8.083 8.083 737 2HB ARG 158 1HB ARG 158 -7.207 7.653 7.653 738 1HG ARG 158 1HG ARG 158 -9.270 8.971 8.971 739 2HG ARG 158 2HG ARG 158 -9.526 7.527 7.527 740 1HD ARG 158 2HD ARG 158 -11.179 7.544 7.544 741 2HD ARG 158 1HD ARG 158 -10.013 6.279 6.279 742 HE ARG 158 HE ARG 158 -9.451 7.426 7.426 743 1HH1 ARG 158 1HH2 ARG 158 -11.188 9.555 9.555 744 2HH1 ARG 158 2HH2 ARG 158 -11.306 10.835 10.835 745 1HH2 ARG 158 2HH1 ARG 158 -9.602 9.105 9.105 746 2HH2 ARG 158 1HH1 ARG 158 -10.405 10.579 10.579 747 H GLY 159 H GLY 159 -6.641 3.699 3.699 748 1HA GLY 159 2HA GLY 159 -4.040 4.419 4.419 749 2HA GLY 159 1HA GLY 159 -4.131 3.575 3.575 750 H PHE 160 H PHE 160 -2.881 2.786 2.786 751 HA PHE 160 HA PHE 160 -4.148 0.158 0.158 752 1HB PHE 160 2HB PHE 160 -3.067 1.162 1.162 753 2HB PHE 160 1HB PHE 160 -4.521 0.223 0.223 754 HD1 PHE 160 HD1 PHE 160 -6.544 1.481 1.481 755 HD2 PHE 160 HD2 PHE 160 -3.213 3.405 3.405 756 HE1 PHE 160 HE1 PHE 160 -7.918 3.486 3.486 757 HE2 PHE 160 HE2 PHE 160 -4.581 5.412 5.412 758 HZ PHE 160 HZ PHE 160 -6.937 5.455 5.455 759 H SER 161 H SER 161 -2.614 -1.336 -1.336 760 HA SER 161 HA SER 161 0.160 -0.676 -0.676 761 1HB SER 161 1HB SER 161 -0.146 -1.015 -1.015 762 2HB SER 161 2HB SER 161 -0.818 -2.616 -2.616 763 HG SER 161 HG SER 161 1.174 -3.268 -3.268 764 H TYR 162 H TYR 162 1.264 -1.941 -1.941 765 HA TYR 162 HA TYR 162 -0.149 -4.133 -4.133 766 1HB TYR 162 1HB TYR 162 2.587 -3.098 -3.098 767 2HB TYR 162 2HB TYR 162 1.460 -3.992 -3.992 768 HD1 TYR 162 HD2 TYR 162 -0.943 -2.192 -2.192 769 HD2 TYR 162 HD1 TYR 162 2.808 -1.396 -1.396 770 HE1 TYR 162 HE2 TYR 162 -1.834 -0.079 -0.079 771 HE2 TYR 162 HE1 TYR 162 1.925 0.720 0.720 772 HH TYR 162 HH2 TYR 162 -0.386 1.653 1.653 773 H ILE 163 H ILE 163 1.996 -5.715 -5.715 774 HA ILE 163 HA ILE 163 3.570 -6.544 -6.544 775 HB ILE 163 HB ILE 163 2.383 -8.945 -8.945 776 1HG1 ILE 163 1HG1 ILE 163 0.049 -7.032 -7.032 777 2HG1 ILE 163 2HG1 ILE 163 0.601 -7.843 -7.843 778 1HG2 ILE 163 2HG2 ILE 163 2.413 -6.806 -6.806 779 2HG2 ILE 163 1HG2 ILE 163 0.929 -7.752 -7.752 780 3HG2 ILE 163 3HG2 ILE 163 2.495 -8.550 -8.550 781 1HD1 ILE 163 1HD1 ILE 163 0.287 -9.796 -9.796 782 2HD1 ILE 163 3HD1 ILE 163 -1.165 -8.797 -8.797 783 3HD1 ILE 163 2HD1 ILE 163 -0.606 -9.612 -9.612 784 H CYS 164 H CYS 164 4.928 -8.387 -8.387 785 HA CYS 164 HA CYS 164 4.959 -9.519 -9.519 786 1HB CYS 164 2HB CYS 164 6.016 -7.401 -7.401 787 2HB CYS 164 1HB CYS 164 7.132 -7.583 -7.583 788 HG CYS 164 HG CYS 164 7.276 -9.301 -9.301 789 H ARG 165 H ARG 165 5.736 -11.530 -11.530 790 HA ARG 165 HA ARG 165 6.951 -12.370 -12.370 791 1HB ARG 165 2HB ARG 165 6.710 -14.377 -14.377 792 2HB ARG 165 1HB ARG 165 6.182 -14.443 -14.443 793 1HG ARG 165 2HG ARG 165 4.125 -14.403 -14.403 794 2HG ARG 165 1HG ARG 165 4.404 -12.673 -12.673 795 1HD ARG 165 1HD ARG 165 3.797 -13.173 -13.173 796 2HD ARG 165 2HD ARG 165 5.525 -13.503 -13.503 797 HE ARG 165 HE ARG 165 4.977 -15.658 -15.658 798 1HH1 ARG 165 1HH1 ARG 165 2.415 -14.271 -14.271 799 2HH1 ARG 165 2HH1 ARG 165 1.438 -15.701 -15.701 800 1HH2 ARG 165 1HH2 ARG 165 3.698 -17.545 -17.545 801 2HH2 ARG 165 2HH2 ARG 165 2.168 -17.562 -17.562 802 H ASP 166 H ASP 166 9.011 -11.435 -11.435 803 HA ASP 166 HA ASP 166 11.198 -11.196 -11.196 804 1HB ASP 166 1HB ASP 166 12.406 -13.263 -13.263 805 2HB ASP 166 2HB ASP 166 11.047 -13.483 -13.483 806 H GLY 167 H GLY 167 12.719 -12.738 -12.738 807 1HA GLY 167 2HA GLY 167 12.758 -13.194 -13.194 808 2HA GLY 167 1HA GLY 167 11.428 -12.060 -12.060 809 H THR 168 H THR 168 11.955 -9.758 -9.758 810 HA THR 168 HA THR 168 14.758 -9.106 -9.106 811 HB THR 168 HB THR 168 12.369 -7.639 -7.639 812 HG1 THR 168 1HG THR 168 12.926 -8.617 -8.617 813 1HG2 THR 168 1HG2 THR 168 15.207 -7.048 -7.048 814 2HG2 THR 168 3HG2 THR 168 14.542 -7.088 -7.088 815 3HG2 THR 168 2HG2 THR 168 13.837 -6.019 -6.019 816 H THR 169 H THR 169 12.844 -9.122 -9.122 817 HA THR 169 HA THR 169 13.546 -6.422 -6.422 818 HB THR 169 HB THR 169 11.029 -7.899 -7.899 819 HG1 THR 169 1HG THR 169 10.905 -7.288 -7.288 820 1HG2 THR 169 1HG2 THR 169 12.240 -5.778 -5.778 821 2HG2 THR 169 3HG2 THR 169 11.019 -5.017 -5.017 822 3HG2 THR 169 2HG2 THR 169 10.548 -6.254 -6.254 823 H ARG 170 H ARG 170 14.730 -9.159 -9.159 824 HA ARG 170 HA ARG 170 16.067 -10.043 -10.043 825 1HB ARG 170 1HB ARG 170 14.484 -8.594 -8.594 826 2HB ARG 170 2HB ARG 170 16.116 -9.235 -9.235 827 1HG ARG 170 1HG ARG 170 15.165 -6.771 -6.771 828 2HG ARG 170 2HG ARG 170 16.392 -6.925 -6.925 829 1HD ARG 170 1HD ARG 170 16.615 -7.937 -7.937 830 2HD ARG 170 2HD ARG 170 17.419 -6.514 -6.514 831 HE ARG 170 HE ARG 170 18.032 -8.890 -8.890 832 1HH1 ARG 170 1HH1 ARG 170 18.816 -7.053 -7.053 833 2HH1 ARG 170 2HH1 ARG 170 20.425 -7.681 -7.681 834 1HH2 ARG 170 1HH2 ARG 170 20.151 -9.724 -9.724 835 2HH2 ARG 170 2HH2 ARG 170 21.185 -9.199 -9.199 836 H ARG 171 H ARG 171 12.923 -9.656 -9.656 837 HA ARG 171 HA ARG 171 12.423 -12.513 -12.513 838 1HB ARG 171 1HB ARG 171 12.192 -12.942 -12.942 839 2HB ARG 171 2HB ARG 171 13.757 -12.179 -12.179 840 1HG ARG 171 2HG ARG 171 13.237 -10.468 -10.468 841 2HG ARG 171 1HG ARG 171 11.666 -10.242 -10.242 842 1HD ARG 171 1HD ARG 171 10.666 -11.136 -11.136 843 2HD ARG 171 2HD ARG 171 11.555 -12.637 -12.637 844 HE ARG 171 HE ARG 171 13.335 -11.054 -11.054 845 1HH1 ARG 171 1HH1 ARG 171 10.057 -12.041 -12.041 846 2HH1 ARG 171 2HH1 ARG 171 10.235 -11.974 -11.974 847 1HH2 ARG 171 1HH2 ARG 171 12.239 -11.361 -11.361 848 2HH2 ARG 171 2HH2 ARG 171 13.581 -10.964 -10.964 849 H TRP 172 H TRP 172 10.329 -12.574 -12.574 850 HA TRP 172 HA TRP 172 8.187 -11.560 -11.560 851 1HB TRP 172 1HB TRP 172 8.471 -12.969 -12.969 852 2HB TRP 172 2HB TRP 172 6.985 -12.059 -12.059 853 HD1 TRP 172 HD1 TRP 172 5.114 -13.309 -13.309 854 HE1 TRP 172 HE1 TRP 172 4.959 -15.449 -15.449 855 HE3 TRP 172 HE3 TRP 172 10.091 -14.441 -14.441 856 HZ2 TRP 172 2HZ TRP 172 6.712 -17.361 -17.361 857 HZ3 TRP 172 HZ3 TRP 172 10.768 -16.444 -16.444 858 HH2 TRP 172 HH2 TRP 172 9.112 -17.873 -17.873 859 H MET 173 H MET 173 8.331 -9.370 -9.370 860 HA MET 173 HA MET 173 8.317 -7.744 -7.744 861 1HB MET 173 1HB MET 173 8.956 -6.790 -6.790 862 2HB MET 173 2HB MET 173 9.236 -5.943 -5.943 863 1HG MET 173 1HG MET 173 10.618 -8.323 -8.323 864 2HG MET 173 2HG MET 173 10.894 -7.861 -7.861 865 1HE MET 173 2HE MET 173 10.618 -6.438 -6.438 866 2HE MET 173 1HE MET 173 11.794 -5.123 -5.123 867 3HE MET 173 3HE MET 173 10.289 -4.934 -4.934 868 H CYS 174 H CYS 174 7.046 -5.818 -5.818 869 HA CYS 174 HA CYS 174 4.561 -6.077 -6.077 870 1HB CYS 174 2HB CYS 174 5.097 -5.589 -5.589 871 2HB CYS 174 1HB CYS 174 3.999 -4.403 -4.403 872 HG CYS 174 HG CYS 174 2.262 -6.185 -6.185 873 H HIS 175 H HIS 175 3.411 -3.813 -3.813 874 HA HIS 175 HA HIS 175 5.381 -1.695 -1.695 875 1HB HIS 175 2HB HIS 175 3.286 -2.609 -2.609 876 2HB HIS 175 1HB HIS 175 4.215 -1.124 -1.124 877 HD1 HIS 175 HD1 HIS 175 6.534 -1.334 -1.334 878 HD2 HIS 175 HD2 HIS 175 4.827 -4.998 -4.998 879 HE1 HIS 175 HE1 HIS 175 8.046 -3.103 -3.103 880 H GLY 176 H GLY 176 4.419 -1.055 -1.055 881 1HA GLY 176 1HA GLY 176 1.675 -0.238 -0.238 882 2HA GLY 176 2HA GLY 176 2.892 0.079 0.079 883 H PHE 177 H PHE 177 0.783 1.616 1.616 884 HA PHE 177 HA PHE 177 2.276 4.082 4.082 885 1HB PHE 177 1HB PHE 177 1.994 4.677 4.677 886 2HB PHE 177 2HB PHE 177 2.774 3.101 3.101 887 HD1 PHE 177 HD2 PHE 177 0.678 1.196 1.196 888 HD2 PHE 177 HD1 PHE 177 0.687 4.837 4.837 889 HE1 PHE 177 HE2 PHE 177 -1.052 0.293 0.293 890 HE2 PHE 177 HE1 PHE 177 -1.044 3.943 3.943 891 HZ PHE 177 HZ PHE 177 -1.916 1.666 1.666 892 H LEU 178 H LEU 178 0.873 5.969 5.969 893 HA LEU 178 HA LEU 178 -1.976 5.378 5.378 894 1HB LEU 178 2HB LEU 178 -0.631 5.954 5.954 895 2HB LEU 178 1HB LEU 178 -0.578 7.584 7.584 896 HG LEU 178 HG LEU 178 -3.269 6.901 6.901 897 1HD1 LEU 178 3HD2 LEU 178 -2.103 5.131 5.131 898 2HD1 LEU 178 2HD2 LEU 178 -2.866 6.377 6.377 899 3HD1 LEU 178 1HD2 LEU 178 -3.819 5.484 5.484 900 1HD2 LEU 178 2HD1 LEU 178 -1.538 8.695 8.695 901 2HD2 LEU 178 1HD1 LEU 178 -3.047 9.021 9.021 902 3HD2 LEU 178 3HD1 LEU 178 -3.080 8.328 8.328 903 H ALA 179 H ALA 179 -3.267 6.487 6.487 904 HA ALA 179 HA ALA 179 -2.429 8.042 8.042 905 1HB ALA 179 2HB ALA 179 -4.666 7.113 7.113 906 2HB ALA 179 1HB ALA 179 -5.079 8.244 8.244 907 3HB ALA 179 3HB ALA 179 -4.729 8.843 8.843 908 H CYS 180 H CYS 180 -1.902 10.110 10.110 909 HA CYS 180 HA CYS 180 -1.060 11.791 11.791 910 1HB CYS 180 2HB CYS 180 -1.236 11.876 11.876 911 2HB CYS 180 1HB CYS 180 -1.705 13.433 13.433 912 HG CYS 180 HG CYS 180 0.623 13.820 13.820 913 H LYS 181 H LYS 181 -3.866 12.345 12.345 914 HA LYS 181 HA LYS 181 -4.982 14.397 14.397 915 1HB LYS 181 1HB LYS 181 -6.570 12.553 12.553 916 2HB LYS 181 2HB LYS 181 -6.893 14.239 14.239 917 1HG LYS 181 2HG LYS 181 -4.703 13.136 13.136 918 2HG LYS 181 1HG LYS 181 -6.072 14.140 14.140 919 1HD LYS 181 2HD LYS 181 -5.178 15.970 15.970 920 2HD LYS 181 1HD LYS 181 -3.774 14.965 14.965 921 1HE LYS 181 2HE LYS 181 -4.301 15.165 15.165 922 2HE LYS 181 1HE LYS 181 -4.001 16.732 16.732 923 1HZ LYS 181 3HZ LYS 181 -2.092 15.070 15.070 924 2HZ LYS 181 2HZ LYS 181 -2.167 14.633 14.633 925 3HZ LYS 181 1HZ LYS 181 -1.857 16.239 16.239 926 H ASP 182 H ASP 182 -5.188 10.931 10.931 927 HA ASP 182 HA ASP 182 -6.128 9.505 9.505 928 1HB ASP 182 1HB ASP 182 -5.280 11.775 11.775 929 2HB ASP 182 2HB ASP 182 -6.843 11.293 11.293 930 H SER 183 H SER 183 -7.943 9.311 9.311 931 HA SER 183 HA SER 183 -10.423 9.655 9.655 932 1HB SER 183 2HB SER 183 -9.602 11.890 11.890 933 2HB SER 183 1HB SER 183 -10.817 11.085 11.085 934 HG SER 183 HG SER 183 -12.059 12.254 12.254 935 H GLY 184 H GLY 184 -8.813 7.607 7.607 936 1HA GLY 184 2HA GLY 184 -9.011 5.950 5.950 937 2HA GLY 184 1HA GLY 184 -10.663 5.932 5.932 938 H GLU 185 H GLU 185 -9.314 8.663 8.663 939 HA GLU 185 HA GLU 185 -10.718 7.877 7.877 940 1HB GLU 185 2HB GLU 185 -11.351 10.201 10.201 941 2HB GLU 185 1HB GLU 185 -11.440 10.442 10.442 942 1HG GLU 185 2HG GLU 185 -13.484 9.608 9.608 943 2HG GLU 185 1HG GLU 185 -12.785 8.046 8.046 944 H ARG 186 H ARG 186 -8.122 7.679 7.679 945 HA ARG 186 HA ARG 186 -7.279 9.599 9.599 946 1HB ARG 186 1HB ARG 186 -6.943 10.549 10.549 947 2HB ARG 186 2HB ARG 186 -5.416 9.707 9.707 948 1HG ARG 186 2HG ARG 186 -4.708 11.588 11.588 949 2HG ARG 186 1HG ARG 186 -5.674 11.098 11.098 950 1HD ARG 186 1HD ARG 186 -7.172 12.474 12.474 951 2HD ARG 186 2HD ARG 186 -5.942 13.458 13.458 952 HE ARG 186 HE ARG 186 -7.373 12.198 12.198 953 1HH1 ARG 186 1HH2 ARG 186 -7.980 14.477 14.477 954 2HH1 ARG 186 2HH2 ARG 186 -9.264 15.279 15.279 955 1HH2 ARG 186 2HH1 ARG 186 -9.063 13.246 13.246 956 2HH2 ARG 186 1HH1 ARG 186 -9.880 14.578 14.578 957 H LEU 187 H LEU 187 -6.272 7.151 7.151 958 HA LEU 187 HA LEU 187 -4.428 6.072 6.072 959 1HB LEU 187 2HB LEU 187 -4.261 6.205 6.205 960 2HB LEU 187 1HB LEU 187 -3.455 4.899 4.899 961 HG LEU 187 HG LEU 187 -2.028 6.415 6.415 962 1HD1 LEU 187 1HD1 LEU 187 -3.849 8.552 8.552 963 2HD1 LEU 187 3HD1 LEU 187 -2.256 8.895 8.895 964 3HD1 LEU 187 2HD1 LEU 187 -3.502 8.160 8.160 965 1HD2 LEU 187 1HD2 LEU 187 -2.067 6.205 6.205 966 2HD2 LEU 187 3HD2 LEU 187 -0.709 6.694 6.694 967 3HD2 LEU 187 2HD2 LEU 187 -1.783 7.915 7.915 968 H SER 188 H SER 188 -6.678 5.209 5.209 969 HA SER 188 HA SER 188 -6.726 2.460 2.460 970 1HB SER 188 2HB SER 188 -8.160 4.331 4.331 971 2HB SER 188 1HB SER 188 -9.387 3.529 3.529 972 HG SER 188 HG SER 188 -9.252 2.065 2.065 973 H HIS 189 H HIS 189 -8.755 4.897 4.897 974 HA HIS 189 HA HIS 189 -9.946 2.906 2.906 975 1HB HIS 189 2HB HIS 189 -10.215 5.900 5.900 976 2HB HIS 189 1HB HIS 189 -10.973 4.993 4.993 977 HD1 HIS 189 HD1 HIS 189 -12.674 6.546 6.546 978 HD2 HIS 189 HD2 HIS 189 -11.708 2.511 2.511 979 HE1 HIS 189 HE1 HIS 189 -14.433 5.479 5.479 980 H ALA 190 H ALA 190 -7.332 5.192 5.192 981 HA ALA 190 HA ALA 190 -7.042 5.262 5.262 982 1HB ALA 190 1HB ALA 190 -5.086 5.887 5.887 983 2HB ALA 190 3HB ALA 190 -4.790 6.187 6.187 984 3HB ALA 190 2HB ALA 190 -6.099 7.029 7.029 985 H VAL 191 H VAL 191 -5.124 3.601 3.601 986 HA VAL 191 HA VAL 191 -3.771 1.981 1.981 987 HB VAL 191 HB VAL 191 -3.762 1.156 1.156 988 1HG1 VAL 191 1HG2 VAL 191 -2.124 0.877 0.877 989 2HG1 VAL 191 3HG2 VAL 191 -1.179 1.444 1.444 990 3HG1 VAL 191 2HG2 VAL 191 -2.107 -0.050 -0.050 991 1HG2 VAL 191 3HG1 VAL 191 -3.080 3.860 3.860 992 2HG2 VAL 191 2HG1 VAL 191 -3.364 3.234 3.234 993 3HG2 VAL 191 1HG1 VAL 191 -1.782 3.043 3.043 994 H GLY 192 H GLY 192 -6.625 1.707 1.707 995 1HA GLY 192 1HA GLY 192 -6.994 -1.036 -1.036 996 2HA GLY 192 2HA GLY 192 -8.302 0.130 0.130 997 H CYS 193 H CYS 193 -7.369 1.109 1.109 998 HA CYS 193 HA CYS 193 -8.444 -1.020 -1.020 999 1HB CYS 193 2HB CYS 193 -8.893 1.671 1.671 1000 2HB CYS 193 1HB CYS 193 -7.686 1.539 1.539 1001 HG CYS 193 HG CYS 193 -10.556 0.911 0.911 1002 H ALA 194 H ALA 194 -5.447 0.465 0.465 1003 HA ALA 194 HA ALA 194 -3.882 0.250 0.250 1004 1HB ALA 194 3HB ALA 194 -3.066 1.110 1.110 1005 2HB ALA 194 2HB ALA 194 -3.111 -0.508 -0.508 1006 3HB ALA 194 1HB ALA 194 -1.988 -0.143 -0.143 1007 H PHE 195 H PHE 195 -4.955 -2.362 -2.362 1008 HA PHE 195 HA PHE 195 -3.385 -4.364 -4.364 1009 1HB PHE 195 1HB PHE 195 -5.738 -4.683 -4.683 1010 2HB PHE 195 2HB PHE 195 -4.609 -5.951 -5.951 1011 HD1 PHE 195 HD1 PHE 195 -4.935 -2.770 -2.770 1012 HD2 PHE 195 HD2 PHE 195 -2.518 -6.187 -6.187 1013 HE1 PHE 195 HE1 PHE 195 -3.469 -2.153 -2.153 1014 HE2 PHE 195 HE2 PHE 195 -1.047 -5.575 -5.575 1015 HZ PHE 195 HZ PHE 195 -1.522 -3.557 -3.557 1016 H ALA 196 H ALA 196 -6.486 -2.929 -2.929 1017 HA ALA 196 HA ALA 196 -7.921 -4.885 -4.885 1018 1HB ALA 196 1HB ALA 196 -8.747 -2.610 -2.610 1019 2HB ALA 196 3HB ALA 196 -7.804 -1.986 -1.986 1020 3HB ALA 196 2HB ALA 196 -9.121 -3.123 -3.123 1021 H VAL 197 H VAL 197 -5.240 -2.950 -2.950 1022 HA VAL 197 HA VAL 197 -5.491 -3.912 -3.912 1023 HB VAL 197 HB VAL 197 -3.263 -2.366 -2.366 1024 1HG1 VAL 197 1HG2 VAL 197 -3.666 -3.229 -3.229 1025 2HG1 VAL 197 3HG2 VAL 197 -2.662 -1.844 -1.844 1026 3HG1 VAL 197 2HG2 VAL 197 -2.249 -3.450 -3.450 1027 1HG2 VAL 197 3HG1 VAL 197 -5.617 -1.553 -1.553 1028 2HG2 VAL 197 2HG1 VAL 197 -5.175 -0.991 -0.991 1029 3HG2 VAL 197 1HG1 VAL 197 -4.206 -0.518 -0.518 1030 H CYS 198 H CYS 198 -3.715 -4.765 -4.765 1031 HA CYS 198 HA CYS 198 -1.680 -6.339 -6.339 1032 1HB CYS 198 2HB CYS 198 -1.902 -5.838 -5.838 1033 2HB CYS 198 1HB CYS 198 -3.353 -6.831 -6.831 1034 HG CYS 198 HG CYS 198 -1.378 -8.252 -8.252 1035 H LEU 199 H LEU 199 -5.078 -7.112 -7.112 1036 HA LEU 199 HA LEU 199 -4.664 -9.698 -9.698 1037 1HB LEU 199 2HB LEU 199 -7.146 -9.970 -9.970 1038 2HB LEU 199 1HB LEU 199 -5.769 -10.307 -10.307 1039 HG LEU 199 HG LEU 199 -6.952 -7.564 -7.564 1040 1HD1 LEU 199 1HD2 LEU 199 -8.762 -9.398 -9.398 1041 2HD1 LEU 199 3HD2 LEU 199 -8.045 -9.714 -9.714 1042 3HD1 LEU 199 2HD2 LEU 199 -8.709 -8.121 -8.121 1043 1HD2 LEU 199 1HD1 LEU 199 -4.838 -8.257 -8.257 1044 2HD2 LEU 199 3HD1 LEU 199 -6.089 -7.491 -7.491 1045 3HD2 LEU 199 2HD1 LEU 199 -5.873 -9.240 -9.240 1046 H GLU 200 H GLU 200 -6.240 -6.615 -6.615 1047 HA GLU 200 HA GLU 200 -7.429 -5.567 -5.567 1048 1HB GLU 200 2HB GLU 200 -5.583 -6.146 -6.146 1049 2HB GLU 200 1HB GLU 200 -6.233 -7.761 -7.761 1050 1HG GLU 200 1HG GLU 200 -8.250 -5.924 -5.924 1051 2HG GLU 200 2HG GLU 200 -6.745 -5.375 -5.375 1052 H ARG 201 H ARG 201 -9.552 -5.532 -5.532 1053 HA ARG 201 HA ARG 201 -11.708 -6.171 -6.171 1054 1HB ARG 201 1HB ARG 201 -10.367 -7.753 -7.753 1055 2HB ARG 201 2HB ARG 201 -11.055 -8.980 -8.980 1056 1HG ARG 201 1HG ARG 201 -13.145 -7.206 -7.206 1057 2HG ARG 201 2HG ARG 201 -12.305 -7.457 -7.457 1058 1HD ARG 201 1HD ARG 201 -13.630 -9.275 -9.275 1059 2HD ARG 201 2HD ARG 201 -12.393 -9.988 -9.988 1060 HE ARG 201 HE ARG 201 -13.922 -10.075 -10.075 1061 1HH1 ARG 201 2HH2 ARG 201 -15.033 -7.817 -7.817 1062 2HH1 ARG 201 1HH2 ARG 201 -16.573 -7.571 -7.571 1063 1HH2 ARG 201 1HH1 ARG 201 -15.946 -9.760 -9.760 1064 2HH2 ARG 201 2HH1 ARG 201 -17.093 -8.676 -8.676 1065 H LYS 202 H LYS 202 -10.037 -6.800 -6.800 1066 HA LYS 202 HA LYS 202 -10.245 -7.872 -7.872 1067 1HB LYS 202 1HB LYS 202 -13.205 -7.851 -7.851 1068 2HB LYS 202 2HB LYS 202 -12.369 -7.651 -7.651 1069 1HG LYS 202 2HG LYS 202 -12.388 -5.674 -5.674 1070 2HG LYS 202 1HG LYS 202 -13.311 -5.549 -5.549 1071 1HD LYS 202 1HD LYS 202 -10.319 -5.789 -5.789 1072 2HD LYS 202 2HD LYS 202 -11.124 -4.228 -4.228 1073 1HE LYS 202 2HE LYS 202 -12.401 -5.472 -5.472 1074 2HE LYS 202 1HE LYS 202 -10.690 -5.835 -5.835 1075 1HZ LYS 202 2HZ LYS 202 -11.568 -3.085 -3.085 1076 2HZ LYS 202 1HZ LYS 202 -11.635 -3.678 -3.678 1077 3HZ LYS 202 3HZ LYS 202 -10.154 -3.608 -3.608 1078 H GLN 203 H GLN 203 -9.583 -9.737 -9.737 1079 HA GLN 203 HA GLN 203 -11.270 -11.887 -11.887 1080 1HB GLN 203 1HB GLN 203 -8.978 -11.626 -11.626 1081 2HB GLN 203 2HB GLN 203 -8.315 -12.050 -12.050 1082 1HG GLN 203 1HG GLN 203 -8.213 -14.046 -14.046 1083 2HG GLN 203 2HG GLN 203 -9.726 -14.200 -14.200 1084 1HE2 GLN 203 2HE2 GLN 203 -11.634 -14.696 -14.696 1085 2HE2 GLN 203 1HE2 GLN 203 -11.447 -14.790 -14.790 1086 H ARG 204 H ARG 204 -9.158 -11.258 -11.258 1087 HA ARG 204 HA ARG 204 -8.976 -12.288 -12.288 1088 1HB ARG 204 2HB ARG 204 -11.919 -11.825 -11.825 1089 2HB ARG 204 1HB ARG 204 -11.299 -12.487 -12.487 1090 1HG ARG 204 1HG ARG 204 -10.383 -10.525 -10.525 1091 2HG ARG 204 2HG ARG 204 -9.998 -10.031 -10.031 1092 1HD ARG 204 2HD ARG 204 -11.727 -8.609 -8.609 1093 2HD ARG 204 1HD ARG 204 -12.334 -9.500 -9.500 1094 HE ARG 204 HE ARG 204 -13.004 -11.074 -11.074 1095 1HH1 ARG 204 1HH1 ARG 204 -13.526 -7.721 -7.721 1096 2HH1 ARG 204 2HH1 ARG 204 -15.025 -7.619 -7.619 1097 1HH2 ARG 204 2HH2 ARG 204 -14.978 -10.952 -10.952 1098 2HH2 ARG 204 1HH2 ARG 204 -15.852 -9.456 -9.456 1099 H ARG 205 H ARG 205 -8.117 -14.302 -14.302 1100 HA ARG 205 HA ARG 205 -9.571 -16.542 -16.542 1101 1HB ARG 205 2HB ARG 205 -7.143 -16.470 -16.470 1102 2HB ARG 205 1HB ARG 205 -7.011 -16.390 -16.390 1103 1HG ARG 205 1HG ARG 205 -7.884 -18.627 -18.627 1104 2HG ARG 205 2HG ARG 205 -8.174 -18.711 -18.711 1105 1HD ARG 205 2HD ARG 205 -5.573 -18.720 -18.720 1106 2HD ARG 205 1HD ARG 205 -6.169 -19.862 -19.862 1107 HE ARG 205 HE ARG 205 -4.795 -17.380 -17.380 1108 1HH1 ARG 205 1HH2 ARG 205 -6.924 -19.801 -19.801 1109 2HH1 ARG 205 2HH2 ARG 205 -6.534 -19.438 -19.438 1110 1HH2 ARG 205 1HH1 ARG 205 -4.273 -16.891 -16.891 1111 2HH2 ARG 205 2HH1 ARG 205 -5.026 -17.782 -17.782 1112 H THR 206 H THR 206 -11.485 -16.154 -16.154 1113 HA THR 206 HA THR 206 -11.125 -17.360 -17.360 1114 HB THR 206 HB THR 206 -13.310 -16.249 -16.249 1115 HG1 THR 206 1HG THR 206 -13.751 -15.961 -15.961 1116 1HG2 THR 206 3HG2 THR 206 -11.147 -15.204 -15.204 1117 2HG2 THR 206 2HG2 THR 206 -11.229 -14.280 -14.280 1118 3HG2 THR 206 1HG2 THR 206 -12.459 -14.054 -14.054 1119 H ARG 207 H ARG 207 -11.304 -18.969 -18.969 1120 HA ARG 207 HA ARG 207 -13.827 -20.356 -20.356 1121 1HB ARG 207 2HB ARG 207 -12.785 -19.487 -19.487 1122 2HB ARG 207 1HB ARG 207 -13.737 -20.960 -20.960 1123 1HG ARG 207 2HG ARG 207 -15.427 -19.449 -19.449 1124 2HG ARG 207 1HG ARG 207 -14.557 -18.133 -18.133 1125 1HD ARG 207 1HD ARG 207 -16.391 -18.689 -18.689 1126 2HD ARG 207 2HD ARG 207 -14.938 -19.317 -19.317 1127 HE ARG 207 HE ARG 207 -16.039 -21.344 -21.344 1128 1HH1 ARG 207 2HH1 ARG 207 -16.781 -19.517 -19.517 1129 2HH1 ARG 207 1HH1 ARG 207 -17.715 -20.785 -20.785 1130 1HH2 ARG 207 2HH2 ARG 207 -17.267 -23.021 -23.021 1131 2HH2 ARG 207 1HH2 ARG 207 -17.992 -22.777 -22.777 1132 H ALA 208 H ALA 208 -10.879 -20.714 -20.714 1133 HA ALA 208 HA ALA 208 -10.736 -23.524 -23.524 1134 1HB ALA 208 1HB ALA 208 -10.622 -22.741 -22.741 1135 2HB ALA 208 3HB ALA 208 -8.980 -22.224 -22.224 1136 3HB ALA 208 2HB ALA 208 -9.429 -23.922 -23.922 1137 H ALA 209 H ALA 209 -10.064 -22.746 -22.746 1138 HA ALA 209 HA ALA 209 -7.200 -22.061 -22.061 1139 1HB ALA 209 3HB ALA 209 -8.887 -20.497 -20.497 1140 2HB ALA 209 2HB ALA 209 -9.113 -21.755 -21.755 1141 3HB ALA 209 1HB ALA 209 -7.528 -21.012 -21.012 1142 H ALA 210 H ALA 210 -6.526 -22.782 -22.782 1143 HA ALA 210 HA ALA 210 -6.347 -25.644 -25.644 1144 1HB ALA 210 2HB ALA 210 -4.832 -23.600 -23.600 1145 2HB ALA 210 1HB ALA 210 -5.330 -24.709 -24.709 1146 3HB ALA 210 3HB ALA 210 -4.447 -25.317 -25.317 1147 1H ALA 1 1HT ALA 1 -13.724 -9.475 -9.475 1148 2H ALA 1 3HT ALA 1 -12.236 -9.658 -9.658 1149 3H ALA 1 2HT ALA 1 -13.551 -8.861 -8.861 1150 HA ALA 1 HA ALA 1 -13.454 -7.097 -7.097 1151 1HB ALA 1 1HB ALA 1 -11.045 -7.878 -7.878 1152 2HB ALA 1 3HB ALA 1 -10.925 -6.487 -6.487 1153 3HB ALA 1 2HB ALA 1 -12.133 -6.505 -6.505 1154 H TYR 2 H TYR 2 -11.445 -6.017 -6.017 1155 HA TYR 2 HA TYR 2 -11.500 -7.390 -7.390 1156 1HB TYR 2 1HB TYR 2 -9.696 -5.562 -5.562 1157 2HB TYR 2 2HB TYR 2 -11.384 -5.121 -5.121 1158 HD1 TYR 2 HD2 TYR 2 -8.916 -5.879 -5.879 1159 HD2 TYR 2 HD1 TYR 2 -11.193 -2.889 -2.889 1160 HE1 TYR 2 HE2 TYR 2 -8.265 -4.237 -4.237 1161 HE2 TYR 2 HE1 TYR 2 -10.548 -1.245 -1.245 1162 HH TYR 2 HH2 TYR 2 -9.737 -1.588 -1.588 1163 H ILE 3 H ILE 3 -9.188 -7.322 -7.322 1164 HA ILE 3 HA ILE 3 -7.861 -9.611 -9.611 1165 HB ILE 3 HB ILE 3 -6.516 -7.188 -7.188 1166 1HG1 ILE 3 1HG1 ILE 3 -7.282 -8.778 -8.778 1167 2HG1 ILE 3 2HG1 ILE 3 -8.649 -8.947 -8.947 1168 1HG2 ILE 3 3HG2 ILE 3 -5.027 -9.057 -9.057 1169 2HG2 ILE 3 2HG2 ILE 3 -5.978 -10.125 -10.125 1170 3HG2 ILE 3 1HG2 ILE 3 -5.086 -8.778 -8.778 1171 1HD1 ILE 3 2HD1 ILE 3 -7.916 -6.198 -6.198 1172 2HD1 ILE 3 1HD1 ILE 3 -8.106 -6.852 -6.852 1173 3HD1 ILE 3 3HD1 ILE 3 -9.427 -6.980 -6.980 1174 H GLY 4 H GLY 4 -7.431 -6.504 -6.504 1175 1HA GLY 4 1HA GLY 4 -4.910 -6.683 -6.683 1176 2HA GLY 4 2HA GLY 4 -6.277 -5.949 -5.949 1177 HA PRO 5 HA PRO 5 -6.151 -9.127 -9.127 1178 1HB PRO 5 2HB PRO 5 -9.110 -9.226 -9.226 1179 2HB PRO 5 1HB PRO 5 -8.054 -8.817 -8.817 1180 1HG PRO 5 1HG PRO 5 -9.448 -6.921 -6.921 1181 2HG PRO 5 2HG PRO 5 -7.774 -6.617 -6.617 1182 1HD PRO 5 2HD PRO 5 -8.830 -7.333 -7.333 1183 2HD PRO 5 1HD PRO 5 -7.672 -6.065 -6.065 1184 1HN PTR 6 H PTR 6 -5.538 -10.351 -10.351 1185 HA PTR 6 HA PTR 6 -5.728 -12.186 -12.186 1186 1HB PTR 6 1HB PTR 6 -6.899 -13.457 -13.457 1187 2HB PTR 6 2HB PTR 6 -5.185 -13.107 -13.107 1188 HD1 PTR 6 HD1 PTR 6 -6.079 -13.910 -13.910 1189 HD2 PTR 6 HD2 PTR 6 -6.025 -15.880 -15.880 1190 HE1 PTR 6 HE1 PTR 6 -4.987 -15.857 -15.857 1191 HE2 PTR 6 HE2 PTR 6 -4.689 -17.725 -17.725 1192 H LEU 7 H LEU 7 -7.501 -10.985 -10.985 1193 HA LEU 7 HA LEU 7 -9.531 -10.933 -10.933 1194 1HB LEU 7 1HB LEU 7 -9.082 -13.832 -13.832 1195 2HB LEU 7 2HB LEU 7 -10.618 -13.329 -13.329 1196 HG LEU 7 HG LEU 7 -9.627 -12.606 -12.606 1197 1HD1 LEU 7 1HD1 LEU 7 -7.136 -12.495 -12.495 1198 2HD1 LEU 7 3HD1 LEU 7 -7.000 -12.817 -12.817 1199 3HD1 LEU 7 2HD1 LEU 7 -7.783 -11.341 -11.341 1200 1HD2 LEU 7 2HD2 LEU 7 -9.192 -15.219 -15.219 1201 2HD2 LEU 7 1HD2 LEU 7 -9.339 -14.682 -14.682 1202 3HD2 LEU 7 3HD2 LEU 7 -7.752 -14.755 -14.755 Start of MODEL 5 1 HA SER 64 HA SER 64 -15.793 6.688 6.688 2 1HB SER 64 1HB SER 64 -14.187 7.387 7.387 3 2HB SER 64 2HB SER 64 -15.245 6.389 6.389 4 HG SER 64 HG SER 64 -15.104 8.197 8.197 5 H LYS 65 H LYS 65 -14.999 8.620 8.620 6 HA LYS 65 HA LYS 65 -16.990 10.607 10.607 7 1HB LYS 65 1HB LYS 65 -14.227 10.086 10.086 8 2HB LYS 65 2HB LYS 65 -14.826 11.733 11.733 9 1HG LYS 65 1HG LYS 65 -16.190 9.292 9.292 10 2HG LYS 65 2HG LYS 65 -15.191 10.418 10.418 11 1HD LYS 65 2HD LYS 65 -16.766 12.241 12.241 12 2HD LYS 65 1HD LYS 65 -17.815 10.984 10.984 13 1HE LYS 65 2HE LYS 65 -17.265 10.083 10.083 14 2HE LYS 65 1HE LYS 65 -17.416 11.827 11.827 15 1HZ LYS 65 3HZ LYS 65 -19.473 10.800 10.800 16 2HZ LYS 65 2HZ LYS 65 -19.466 10.017 10.017 17 3HZ LYS 65 1HZ LYS 65 -19.602 11.701 11.701 18 HA PRO 66 HA PRO 66 -15.958 13.402 13.402 19 1HB PRO 66 1HB PRO 66 -17.104 15.654 15.654 20 2HB PRO 66 2HB PRO 66 -18.056 14.286 14.286 21 1HG PRO 66 1HG PRO 66 -17.377 15.052 15.052 22 2HG PRO 66 2HG PRO 66 -18.926 14.504 14.504 23 1HD PRO 66 2HD PRO 66 -17.233 12.861 12.861 24 2HD PRO 66 1HD PRO 66 -18.316 12.288 12.288 25 H HIS 67 H HIS 67 -15.144 15.815 15.815 26 HA HIS 67 HA HIS 67 -13.463 17.315 17.315 27 1HB HIS 67 1HB HIS 67 -14.377 16.644 16.644 28 2HB HIS 67 2HB HIS 67 -12.623 16.777 16.777 29 HD1 HIS 67 HD1 HIS 67 -11.988 19.151 19.151 30 HD2 HIS 67 HD2 HIS 67 -15.367 18.992 18.992 31 HE1 HIS 67 HE1 HIS 67 -12.666 21.549 21.549 32 H GLN 68 H GLN 68 -11.109 17.137 17.137 33 HA GLN 68 HA GLN 68 -9.354 15.806 15.806 34 1HB GLN 68 1HB GLN 68 -9.272 16.500 16.500 35 2HB GLN 68 2HB GLN 68 -7.959 15.562 15.562 36 1HG GLN 68 2HG GLN 68 -7.033 17.395 17.395 37 2HG GLN 68 1HG GLN 68 -8.505 17.784 17.784 38 1HE2 GLN 68 2HE2 GLN 68 -7.974 19.390 19.390 39 2HE2 GLN 68 1HE2 GLN 68 -7.332 17.833 17.833 40 H TRP 69 H TRP 69 -11.220 14.441 14.441 41 HA TRP 69 HA TRP 69 -9.984 11.985 11.985 42 1HB TRP 69 1HB TRP 69 -12.701 13.058 13.058 43 2HB TRP 69 2HB TRP 69 -12.581 11.306 11.306 44 HD1 TRP 69 HD1 TRP 69 -9.533 11.432 11.432 45 HE1 TRP 69 HE1 TRP 69 -9.500 11.595 11.595 46 HE3 TRP 69 HE3 TRP 69 -14.292 13.135 13.135 47 HZ2 TRP 69 2HZ TRP 69 -11.263 12.349 12.349 48 HZ3 TRP 69 HZ3 TRP 69 -15.041 13.551 13.551 49 HH2 TRP 69 HH2 TRP 69 -13.557 13.166 13.166 50 H GLN 70 H GLN 70 -12.476 12.959 12.959 51 HA GLN 70 HA GLN 70 -13.092 10.569 10.569 52 1HB GLN 70 1HB GLN 70 -13.813 11.777 11.777 53 2HB GLN 70 2HB GLN 70 -13.991 12.885 12.885 54 1HG GLN 70 2HG GLN 70 -11.492 13.499 13.499 55 2HG GLN 70 1HG GLN 70 -12.264 13.050 13.050 56 1HE2 GLN 70 2HE2 GLN 70 -12.710 16.700 16.700 57 2HE2 GLN 70 1HE2 GLN 70 -11.336 15.656 15.656 58 H ALA 71 H ALA 71 -10.176 12.456 12.456 59 HA ALA 71 HA ALA 71 -9.174 10.792 10.792 60 1HB ALA 71 2HB ALA 71 -8.235 13.229 13.229 61 2HB ALA 71 1HB ALA 71 -7.044 12.232 12.232 62 3HB ALA 71 3HB ALA 71 -8.402 12.915 12.915 63 H ASP 72 H ASP 72 -7.937 11.609 11.609 64 HA ASP 72 HA ASP 72 -5.908 9.781 9.781 65 1HB ASP 72 2HB ASP 72 -7.763 10.596 10.596 66 2HB ASP 72 1HB ASP 72 -6.162 9.884 9.884 67 H GLU 73 H GLU 73 -9.341 9.210 9.210 68 HA GLU 73 HA GLU 73 -9.239 6.670 6.670 69 1HB GLU 73 2HB GLU 73 -11.243 8.355 8.355 70 2HB GLU 73 1HB GLU 73 -11.393 7.146 7.146 71 1HG GLU 73 2HG GLU 73 -11.579 6.735 6.735 72 2HG GLU 73 1HG GLU 73 -12.849 6.524 6.524 73 H GLU 74 H GLU 74 -8.740 7.720 7.720 74 HA GLU 74 HA GLU 74 -8.707 4.945 4.945 75 1HB GLU 74 1HB GLU 74 -8.362 7.405 7.405 76 2HB GLU 74 2HB GLU 74 -8.788 5.777 5.777 77 1HG GLU 74 1HG GLU 74 -10.964 6.066 6.066 78 2HG GLU 74 2HG GLU 74 -10.645 6.979 6.979 79 H ALA 75 H ALA 75 -6.626 7.674 7.674 80 HA ALA 75 HA ALA 75 -4.381 7.106 7.106 81 1HB ALA 75 3HB ALA 75 -4.904 8.476 8.476 82 2HB ALA 75 2HB ALA 75 -3.255 7.878 7.878 83 3HB ALA 75 1HB ALA 75 -3.934 8.975 8.975 84 H VAL 76 H VAL 76 -5.514 5.497 5.497 85 HA VAL 76 HA VAL 76 -3.223 3.968 3.968 86 HB VAL 76 HB VAL 76 -4.926 2.366 2.366 87 1HG1 VAL 76 2HG2 VAL 76 -4.556 5.221 5.221 88 2HG1 VAL 76 1HG2 VAL 76 -5.431 4.067 4.067 89 3HG1 VAL 76 3HG2 VAL 76 -3.737 3.783 3.783 90 1HG2 VAL 76 3HG1 VAL 76 -6.755 3.573 3.573 91 2HG2 VAL 76 2HG1 VAL 76 -7.140 2.810 2.810 92 3HG2 VAL 76 1HG1 VAL 76 -6.902 4.555 4.555 93 H ARG 77 H ARG 77 -5.905 3.552 3.552 94 HA ARG 77 HA ARG 77 -5.433 0.853 0.853 95 1HB ARG 77 2HB ARG 77 -6.601 3.043 3.043 96 2HB ARG 77 1HB ARG 77 -6.822 1.315 1.315 97 1HG ARG 77 2HG ARG 77 -7.775 1.513 1.513 98 2HG ARG 77 1HG ARG 77 -8.104 3.156 3.156 99 1HD ARG 77 2HD ARG 77 -8.974 0.638 0.638 100 2HD ARG 77 1HD ARG 77 -10.002 1.639 1.639 101 HE ARG 77 HE ARG 77 -8.791 3.102 3.102 102 1HH1 ARG 77 1HH2 ARG 77 -11.453 1.038 1.038 103 2HH1 ARG 77 2HH2 ARG 77 -12.494 1.624 1.624 104 1HH2 ARG 77 1HH1 ARG 77 -10.156 3.881 3.881 105 2HH2 ARG 77 2HH1 ARG 77 -11.757 3.241 3.241 106 H SER 78 H SER 78 -4.606 3.883 3.883 107 HA SER 78 HA SER 78 -2.958 2.624 2.624 108 1HB SER 78 1HB SER 78 -4.094 5.068 5.068 109 2HB SER 78 2HB SER 78 -2.445 5.474 5.474 110 HG SER 78 HG SER 78 -2.886 5.556 5.556 111 H ALA 79 H ALA 79 -2.445 3.252 3.252 112 HA ALA 79 HA ALA 79 -0.638 2.893 2.893 113 1HB ALA 79 1HB ALA 79 -0.024 1.152 1.152 114 2HB ALA 79 3HB ALA 79 0.986 2.371 2.371 115 3HB ALA 79 2HB ALA 79 1.336 1.859 1.859 116 H THR 80 H THR 80 -0.947 5.233 5.233 117 HA THR 80 HA THR 80 1.486 6.623 6.623 118 HB THR 80 HB THR 80 1.186 6.939 6.939 119 HG1 THR 80 1HG THR 80 0.949 9.173 9.173 120 1HG2 THR 80 3HG2 THR 80 -1.461 6.566 6.566 121 2HG2 THR 80 2HG2 THR 80 -1.399 8.309 8.309 122 3HG2 THR 80 1HG2 THR 80 -0.726 7.214 7.214 123 H CYS 81 H CYS 81 -0.267 6.154 6.154 124 HA CYS 81 HA CYS 81 -1.565 8.759 8.759 125 1HB CYS 81 2HB CYS 81 -2.398 6.053 6.053 126 2HB CYS 81 1HB CYS 81 -2.315 6.975 6.975 127 HG CYS 81 HG CYS 81 -4.651 7.085 7.085 128 H SER 82 H SER 82 -1.615 9.303 9.303 129 HA SER 82 HA SER 82 0.529 8.439 8.439 130 1HB SER 82 1HB SER 82 0.933 10.926 10.926 131 2HB SER 82 2HB SER 82 1.712 10.746 10.746 132 HG SER 82 HG SER 82 2.877 9.995 9.995 133 H PHE 83 H PHE 83 0.531 9.413 9.413 134 HA PHE 83 HA PHE 83 -1.184 11.630 11.630 135 1HB PHE 83 1HB PHE 83 -2.003 8.835 8.835 136 2HB PHE 83 2HB PHE 83 -2.623 10.284 10.284 137 HD1 PHE 83 HD1 PHE 83 -3.932 11.935 11.935 138 HD2 PHE 83 HD2 PHE 83 -2.896 8.076 8.076 139 HE1 PHE 83 HE1 PHE 83 -5.685 12.121 12.121 140 HE2 PHE 83 HE2 PHE 83 -4.648 8.255 8.255 141 HZ PHE 83 HZ PHE 83 -6.044 10.280 10.280 142 H SER 84 H SER 84 -0.596 12.590 12.590 143 HA SER 84 HA SER 84 1.828 11.964 11.964 144 1HB SER 84 1HB SER 84 -0.028 13.366 13.366 145 2HB SER 84 2HB SER 84 1.506 13.909 13.909 146 HG SER 84 HG SER 84 -1.080 14.267 14.267 147 H VAL 85 H VAL 85 2.165 11.409 11.409 148 HA VAL 85 HA VAL 85 0.254 10.094 10.094 149 HB VAL 85 HB VAL 85 0.173 8.431 8.431 150 1HG1 VAL 85 3HG2 VAL 85 3.142 8.240 8.240 151 2HG1 VAL 85 2HG2 VAL 85 2.213 7.027 7.027 152 3HG1 VAL 85 1HG2 VAL 85 2.307 8.679 8.679 153 1HG2 VAL 85 1HG1 VAL 85 -0.120 7.690 7.690 154 2HG2 VAL 85 3HG1 VAL 85 0.643 6.440 6.440 155 3HG2 VAL 85 2HG1 VAL 85 1.617 7.403 7.403 156 H LYS 86 H LYS 86 1.131 9.099 9.099 157 HA LYS 86 HA LYS 86 3.944 9.819 9.819 158 1HB LYS 86 2HB LYS 86 1.684 9.505 9.505 159 2HB LYS 86 1HB LYS 86 3.340 9.939 9.939 160 1HG LYS 86 1HG LYS 86 3.122 12.007 12.007 161 2HG LYS 86 2HG LYS 86 1.477 11.565 11.565 162 1HD LYS 86 1HD LYS 86 0.771 12.609 12.609 163 2HD LYS 86 2HD LYS 86 1.537 11.330 11.330 164 1HE LYS 86 1HE LYS 86 2.806 12.928 12.928 165 2HE LYS 86 2HE LYS 86 3.636 12.999 12.999 166 1HZ LYS 86 1HZ LYS 86 1.298 14.655 14.655 167 2HZ LYS 86 3HZ LYS 86 2.903 15.185 15.185 168 3HZ LYS 86 2HZ LYS 86 2.110 14.730 14.730 169 H TYR 87 H TYR 87 4.054 7.609 7.609 170 HA TYR 87 HA TYR 87 3.347 5.190 5.190 171 1HB TYR 87 1HB TYR 87 4.469 5.409 5.409 172 2HB TYR 87 2HB TYR 87 5.958 5.901 5.901 173 HD1 TYR 87 HD2 TYR 87 3.643 3.142 3.142 174 HD2 TYR 87 HD1 TYR 87 7.477 4.219 4.219 175 HE1 TYR 87 HE2 TYR 87 4.348 0.790 0.790 176 HE2 TYR 87 HE1 TYR 87 8.192 1.870 1.870 177 HH TYR 87 HH2 TYR 87 7.648 -0.168 -0.168 178 H LEU 88 H LEU 88 3.532 4.485 4.485 179 HA LEU 88 HA LEU 88 5.309 5.382 5.382 180 1HB LEU 88 1HB LEU 88 3.421 3.174 3.174 181 2HB LEU 88 2HB LEU 88 4.771 2.788 2.788 182 HG LEU 88 HG LEU 88 4.232 4.941 4.941 183 1HD1 LEU 88 2HD2 LEU 88 1.688 4.678 4.678 184 2HD1 LEU 88 1HD2 LEU 88 1.928 5.752 5.752 185 3HD1 LEU 88 3HD2 LEU 88 2.857 5.994 5.994 186 1HD2 LEU 88 1HD1 LEU 88 2.820 2.376 2.376 187 2HD2 LEU 88 3HD1 LEU 88 3.580 3.264 3.264 188 3HD2 LEU 88 2HD1 LEU 88 1.951 3.688 3.688 189 H GLY 89 H GLY 89 5.555 2.592 2.592 190 1HA GLY 89 2HA GLY 89 7.960 2.352 2.352 191 2HA GLY 89 1HA GLY 89 8.342 2.224 2.224 192 H CYS 90 H CYS 90 9.270 0.152 0.152 193 HA CYS 90 HA CYS 90 7.243 -1.951 -1.951 194 1HB CYS 90 1HB CYS 90 9.081 -3.361 -3.361 195 2HB CYS 90 2HB CYS 90 8.826 -1.910 -1.910 196 HG CYS 90 HG CYS 90 10.977 -0.915 -0.915 197 H VAL 91 H VAL 91 7.555 -3.940 -3.940 198 HA VAL 91 HA VAL 91 9.433 -3.953 -3.953 199 HB VAL 91 HB VAL 91 7.688 -4.357 -4.357 200 1HG1 VAL 91 2HG1 VAL 91 8.687 -2.124 -2.124 201 2HG1 VAL 91 1HG1 VAL 91 7.366 -1.708 -1.708 202 3HG1 VAL 91 3HG1 VAL 91 7.033 -2.049 -2.049 203 1HG2 VAL 91 1HG2 VAL 91 5.919 -5.115 -5.115 204 2HG2 VAL 91 3HG2 VAL 91 5.366 -3.823 -3.823 205 3HG2 VAL 91 2HG2 VAL 91 5.761 -3.469 -3.469 206 H GLU 92 H GLU 92 10.027 -5.980 -5.980 207 HA GLU 92 HA GLU 92 9.277 -8.150 -8.150 208 1HB GLU 92 1HB GLU 92 10.570 -9.505 -9.505 209 2HB GLU 92 2HB GLU 92 11.452 -8.228 -8.228 210 1HG GLU 92 1HG GLU 92 11.935 -7.242 -7.242 211 2HG GLU 92 2HG GLU 92 10.234 -7.198 -7.198 212 H VAL 93 H VAL 93 7.918 -9.852 -9.852 213 HA VAL 93 HA VAL 93 6.465 -10.063 -10.063 214 HB VAL 93 HB VAL 93 4.312 -10.363 -10.363 215 1HG1 VAL 93 2HG1 VAL 93 5.739 -7.751 -7.751 216 2HG1 VAL 93 1HG1 VAL 93 4.115 -7.807 -7.807 217 3HG1 VAL 93 3HG1 VAL 93 4.402 -8.403 -8.403 218 1HG2 VAL 93 2HG2 VAL 93 5.583 -10.586 -10.586 219 2HG2 VAL 93 1HG2 VAL 93 4.098 -9.635 -9.635 220 3HG2 VAL 93 3HG2 VAL 93 5.665 -8.824 -8.824 221 H PHE 94 H PHE 94 5.027 -12.072 -12.072 222 HA PHE 94 HA PHE 94 6.649 -14.277 -14.277 223 1HB PHE 94 2HB PHE 94 4.305 -14.027 -14.027 224 2HB PHE 94 1HB PHE 94 4.779 -15.604 -15.604 225 HD1 PHE 94 HD1 PHE 94 7.302 -16.209 -16.209 226 HD2 PHE 94 HD2 PHE 94 5.274 -13.246 -13.246 227 HE1 PHE 94 HE1 PHE 94 9.020 -16.389 -16.389 228 HE2 PHE 94 HE2 PHE 94 6.988 -13.420 -13.420 229 HZ PHE 94 HZ PHE 94 8.865 -14.994 -14.994 230 H GLU 95 H GLU 95 3.729 -12.656 -12.656 231 HA GLU 95 HA GLU 95 3.355 -14.589 -14.589 232 1HB GLU 95 1HB GLU 95 1.332 -13.646 -13.646 233 2HB GLU 95 2HB GLU 95 0.813 -13.905 -13.905 234 1HG GLU 95 2HG GLU 95 1.998 -15.919 -15.919 235 2HG GLU 95 1HG GLU 95 0.368 -15.889 -15.889 236 H SER 96 H SER 96 3.325 -13.651 -13.651 237 HA SER 96 HA SER 96 3.065 -10.740 -10.740 238 1HB SER 96 2HB SER 96 4.708 -12.658 -12.658 239 2HB SER 96 1HB SER 96 3.709 -11.851 -11.851 240 HG SER 96 HG SER 96 4.436 -9.845 -9.845 241 H ARG 97 H ARG 97 0.818 -12.778 -12.778 242 HA ARG 97 HA ARG 97 -0.929 -11.506 -11.506 243 1HB ARG 97 2HB ARG 97 -1.680 -13.865 -13.865 244 2HB ARG 97 1HB ARG 97 -0.306 -13.072 -13.072 245 1HG ARG 97 2HG ARG 97 1.237 -14.434 -14.434 246 2HG ARG 97 1HG ARG 97 -0.037 -15.078 -15.078 247 1HD ARG 97 2HD ARG 97 -0.675 -15.511 -15.511 248 2HD ARG 97 1HD ARG 97 0.920 -16.155 -16.155 249 HE ARG 97 HE ARG 97 -0.044 -17.711 -17.711 250 1HH1 ARG 97 1HH1 ARG 97 -2.479 -15.491 -15.491 251 2HH1 ARG 97 2HH1 ARG 97 -3.799 -16.468 -16.468 252 1HH2 ARG 97 1HH2 ARG 97 -1.783 -18.987 -18.987 253 2HH2 ARG 97 2HH2 ARG 97 -3.407 -18.449 -18.449 254 H GLY 98 H GLY 98 -2.916 -11.348 -11.348 255 1HA GLY 98 1HA GLY 98 -4.789 -12.593 -12.593 256 2HA GLY 98 2HA GLY 98 -3.609 -13.200 -13.200 257 H MET 99 H MET 99 -6.146 -11.439 -11.439 258 HA MET 99 HA MET 99 -5.480 -8.880 -8.880 259 1HB MET 99 2HB MET 99 -7.800 -10.566 -10.566 260 2HB MET 99 1HB MET 99 -7.640 -9.795 -9.795 261 1HG MET 99 1HG MET 99 -7.199 -7.931 -7.931 262 2HG MET 99 2HG MET 99 -8.778 -8.708 -8.708 263 1HE MET 99 2HE MET 99 -7.294 -5.858 -5.858 264 2HE MET 99 1HE MET 99 -8.166 -5.003 -5.003 265 3HE MET 99 3HE MET 99 -6.709 -5.920 -5.920 266 H GLN 100 H GLN 100 -6.020 -8.278 -8.278 267 HA GLN 100 HA GLN 100 -5.368 -8.334 -8.334 268 1HB GLN 100 1HB GLN 100 -4.505 -11.195 -11.195 269 2HB GLN 100 2HB GLN 100 -4.888 -10.409 -10.409 270 1HG GLN 100 1HG GLN 100 -6.878 -10.893 -10.893 271 2HG GLN 100 2HG GLN 100 -6.643 -11.954 -11.954 272 1HE2 GLN 100 2HE2 GLN 100 -8.601 -10.078 -10.078 273 2HE2 GLN 100 1HE2 GLN 100 -7.668 -11.502 -11.502 274 H VAL 101 H VAL 101 -3.092 -10.421 -10.421 275 HA VAL 101 HA VAL 101 -0.758 -9.626 -9.626 276 HB VAL 101 HB VAL 101 -1.088 -10.373 -10.373 277 1HG1 VAL 101 2HG1 VAL 101 1.251 -9.726 -9.726 278 2HG1 VAL 101 1HG1 VAL 101 1.381 -11.237 -11.237 279 3HG1 VAL 101 3HG1 VAL 101 1.060 -9.725 -9.725 280 1HG2 VAL 101 2HG2 VAL 101 -1.632 -11.903 -11.903 281 2HG2 VAL 101 1HG2 VAL 101 -1.298 -12.507 -12.507 282 3HG2 VAL 101 3HG2 VAL 101 0.007 -12.381 -12.381 283 H CYS 102 H CYS 102 -2.402 -8.205 -8.205 284 HA CYS 102 HA CYS 102 -0.496 -6.190 -6.190 285 1HB CYS 102 1HB CYS 102 -2.245 -5.118 -5.118 286 2HB CYS 102 2HB CYS 102 -2.269 -6.854 -6.854 287 HG CYS 102 HG CYS 102 -4.570 -6.953 -6.953 288 H GLU 103 H GLU 103 -3.316 -6.340 -6.340 289 HA GLU 103 HA GLU 103 -3.442 -3.651 -3.651 290 1HB GLU 103 2HB GLU 103 -4.653 -6.102 -6.102 291 2HB GLU 103 1HB GLU 103 -4.056 -5.320 -5.320 292 1HG GLU 103 2HG GLU 103 -5.595 -3.696 -3.696 293 2HG GLU 103 1HG GLU 103 -6.464 -4.840 -4.840 294 H GLU 104 H GLU 104 -1.948 -6.359 -6.359 295 HA GLU 104 HA GLU 104 -0.566 -4.709 -4.709 296 1HB GLU 104 1HB GLU 104 0.608 -6.708 -6.708 297 2HB GLU 104 2HB GLU 104 -1.071 -7.130 -7.130 298 1HG GLU 104 1HG GLU 104 -0.370 -7.897 -7.897 299 2HG GLU 104 2HG GLU 104 1.302 -7.656 -7.656 300 H ALA 105 H ALA 105 0.283 -6.122 -6.122 301 HA ALA 105 HA ALA 105 3.009 -5.564 -5.564 302 1HB ALA 105 1HB ALA 105 0.989 -5.511 -5.511 303 2HB ALA 105 3HB ALA 105 2.735 -5.443 -5.443 304 3HB ALA 105 2HB ALA 105 1.997 -6.871 -6.871 305 H LEU 106 H LEU 106 0.259 -3.476 -3.476 306 HA LEU 106 HA LEU 106 1.682 -1.211 -1.211 307 1HB LEU 106 1HB LEU 106 -0.813 -1.748 -1.748 308 2HB LEU 106 2HB LEU 106 -0.984 -1.153 -1.153 309 HG LEU 106 HG LEU 106 0.437 0.844 0.844 310 1HD1 LEU 106 1HD1 LEU 106 -0.989 -0.677 -0.677 311 2HD1 LEU 106 3HD1 LEU 106 -1.905 0.810 0.810 312 3HD1 LEU 106 2HD1 LEU 106 -0.209 0.887 0.887 313 1HD2 LEU 106 2HD2 LEU 106 -2.374 0.526 0.526 314 2HD2 LEU 106 1HD2 LEU 106 -1.051 1.461 1.461 315 3HD2 LEU 106 3HD2 LEU 106 -1.841 2.015 2.015 316 H LYS 107 H LYS 107 0.425 -2.207 -2.207 317 HA LYS 107 HA LYS 107 1.120 0.111 0.111 318 1HB LYS 107 2HB LYS 107 0.839 -1.157 -1.157 319 2HB LYS 107 1HB LYS 107 -0.275 -1.846 -1.846 320 1HG LYS 107 2HG LYS 107 0.900 -3.793 -3.793 321 2HG LYS 107 1HG LYS 107 2.423 -3.069 -3.069 322 1HD LYS 107 1HD LYS 107 1.781 -3.029 -3.029 323 2HD LYS 107 2HD LYS 107 0.081 -3.281 -3.281 324 1HE LYS 107 2HE LYS 107 1.130 -5.514 -5.514 325 2HE LYS 107 1HE LYS 107 2.283 -5.239 -5.239 326 1HZ LYS 107 2HZ LYS 107 -0.645 -5.267 -5.267 327 2HZ LYS 107 1HZ LYS 107 0.307 -6.660 -6.660 328 3HZ LYS 107 3HZ LYS 107 0.581 -5.357 -5.357 329 H VAL 108 H VAL 108 2.999 -2.662 -2.662 330 HA VAL 108 HA VAL 108 5.267 -2.265 -2.265 331 HB VAL 108 HB VAL 108 5.228 -3.365 -3.365 332 1HG1 VAL 108 2HG1 VAL 108 7.192 -3.463 -3.463 333 2HG1 VAL 108 1HG1 VAL 108 7.168 -4.716 -4.716 334 3HG1 VAL 108 3HG1 VAL 108 7.466 -3.035 -3.035 335 1HG2 VAL 108 1HG2 VAL 108 3.881 -4.326 -4.326 336 2HG2 VAL 108 3HG2 VAL 108 4.170 -5.174 -5.174 337 3HG2 VAL 108 2HG2 VAL 108 5.307 -5.348 -5.348 338 H LEU 109 H LEU 109 4.316 -0.810 -0.810 339 HA LEU 109 HA LEU 109 6.729 0.414 0.414 340 1HB LEU 109 1HB LEU 109 3.851 1.105 1.105 341 2HB LEU 109 2HB LEU 109 5.100 2.240 2.240 342 HG LEU 109 HG LEU 109 4.367 0.856 0.856 343 1HD1 LEU 109 1HD2 LEU 109 7.179 0.601 0.601 344 2HD1 LEU 109 3HD2 LEU 109 6.684 -0.142 -0.142 345 3HD1 LEU 109 2HD2 LEU 109 6.534 1.601 1.601 346 1HD2 LEU 109 1HD1 LEU 109 5.230 -1.402 -1.402 347 2HD2 LEU 109 3HD1 LEU 109 3.680 -1.161 -1.161 348 3HD2 LEU 109 2HD1 LEU 109 5.114 -1.572 -1.572 349 H ARG 110 H ARG 110 4.448 1.115 1.115 350 HA ARG 110 HA ARG 110 5.679 3.701 3.701 351 1HB ARG 110 2HB ARG 110 3.081 2.837 2.837 352 2HB ARG 110 1HB ARG 110 3.637 2.681 2.681 353 1HG ARG 110 1HG ARG 110 3.120 4.833 4.833 354 2HG ARG 110 2HG ARG 110 4.570 5.161 5.161 355 1HD ARG 110 1HD ARG 110 3.097 4.911 4.911 356 2HD ARG 110 2HD ARG 110 1.724 4.973 4.973 357 HE ARG 110 HE ARG 110 3.147 7.179 7.179 358 1HH1 ARG 110 1HH1 ARG 110 1.916 5.919 5.919 359 2HH1 ARG 110 2HH1 ARG 110 1.703 7.480 7.480 360 1HH2 ARG 110 1HH2 ARG 110 2.873 9.242 9.242 361 2HH2 ARG 110 2HH2 ARG 110 2.246 9.370 9.370 362 H GLN 111 H GLN 111 4.958 0.626 0.626 363 HA GLN 111 HA GLN 111 6.255 1.019 1.019 364 1HB GLN 111 1HB GLN 111 5.804 -1.416 -1.416 365 2HB GLN 111 2HB GLN 111 6.741 -1.542 -1.542 366 1HG GLN 111 1HG GLN 111 4.186 -0.150 -0.150 367 2HG GLN 111 2HG GLN 111 4.055 -1.839 -1.839 368 1HE2 GLN 111 2HE2 GLN 111 4.248 -2.793 -2.793 369 2HE2 GLN 111 1HE2 GLN 111 3.424 -2.847 -2.847 370 H SER 112 H SER 112 7.591 0.541 0.541 371 HA SER 112 HA SER 112 10.291 0.203 0.203 372 1HB SER 112 1HB SER 112 8.942 -0.765 -0.765 373 2HB SER 112 2HB SER 112 10.266 0.256 0.256 374 HG SER 112 HG SER 112 10.414 -1.985 -1.985 375 H ARG 113 H ARG 113 11.710 1.323 1.323 376 HA ARG 113 HA ARG 113 11.229 4.176 4.176 377 1HB ARG 113 2HB ARG 113 13.663 3.984 3.984 378 2HB ARG 113 1HB ARG 113 13.431 4.223 4.223 379 1HG ARG 113 2HG ARG 113 14.915 2.455 2.455 380 2HG ARG 113 1HG ARG 113 13.362 1.656 1.656 381 1HD ARG 113 1HD ARG 113 13.492 0.600 0.600 382 2HD ARG 113 2HD ARG 113 13.956 2.076 2.076 383 HE ARG 113 HE ARG 113 15.681 -0.020 -0.020 384 1HH1 ARG 113 1HH1 ARG 113 15.519 3.447 3.447 385 2HH1 ARG 113 2HH1 ARG 113 17.228 3.637 3.637 386 1HH2 ARG 113 1HH2 ARG 113 17.931 0.220 0.220 387 2HH2 ARG 113 2HH2 ARG 113 18.598 1.802 1.802 388 H ARG 114 H ARG 114 9.771 2.476 2.476 389 HA ARG 114 HA ARG 114 10.651 3.258 3.258 390 1HB ARG 114 2HB ARG 114 8.327 1.754 1.754 391 2HB ARG 114 1HB ARG 114 8.192 2.406 2.406 392 1HG ARG 114 1HG ARG 114 8.974 0.011 0.011 393 2HG ARG 114 2HG ARG 114 9.966 1.079 1.079 394 1HD ARG 114 2HD ARG 114 10.670 0.871 0.871 395 2HD ARG 114 1HD ARG 114 10.980 -0.546 -0.546 396 HE ARG 114 HE ARG 114 12.388 1.958 1.958 397 1HH1 ARG 114 1HH1 ARG 114 11.527 -0.878 -0.878 398 2HH1 ARG 114 2HH1 ARG 114 12.877 -0.754 -0.754 399 1HH2 ARG 114 1HH2 ARG 114 14.172 2.131 2.131 400 2HH2 ARG 114 2HH2 ARG 114 14.382 0.956 0.956 401 H ARG 115 H ARG 115 10.756 5.553 5.553 402 HA ARG 115 HA ARG 115 8.439 7.083 7.083 403 1HB ARG 115 2HB ARG 115 10.846 7.796 7.796 404 2HB ARG 115 1HB ARG 115 10.918 8.035 8.035 405 1HG ARG 115 1HG ARG 115 10.123 10.077 10.077 406 2HG ARG 115 2HG ARG 115 8.639 9.409 9.409 407 1HD ARG 115 2HD ARG 115 9.854 9.291 9.291 408 2HD ARG 115 1HD ARG 115 11.127 10.255 10.255 409 HE ARG 115 HE ARG 115 9.779 12.101 12.101 410 1HH1 ARG 115 2HH2 ARG 115 7.868 9.236 9.236 411 2HH1 ARG 115 1HH2 ARG 115 6.455 10.109 10.109 412 1HH2 ARG 115 2HH1 ARG 115 7.924 13.261 13.261 413 2HH2 ARG 115 1HH1 ARG 115 6.486 12.398 12.398 414 HA PRO 116 HA PRO 116 6.293 6.913 6.913 415 1HB PRO 116 2HB PRO 116 5.484 9.662 9.662 416 2HB PRO 116 1HB PRO 116 4.485 8.320 8.320 417 1HG PRO 116 1HG PRO 116 4.549 8.946 8.946 418 2HG PRO 116 2HG PRO 116 4.520 7.249 7.249 419 1HD PRO 116 1HD PRO 116 6.793 8.879 8.879 420 2HD PRO 116 2HD PRO 116 6.427 7.161 7.161 421 H VAL 117 H VAL 117 6.103 8.296 8.296 422 HA VAL 117 HA VAL 117 8.388 10.120 10.120 423 HB VAL 117 HB VAL 117 8.900 7.818 7.818 424 1HG1 VAL 117 1HG2 VAL 117 6.435 7.822 7.822 425 2HG1 VAL 117 3HG2 VAL 117 7.353 8.388 8.388 426 3HG1 VAL 117 2HG2 VAL 117 7.759 6.847 6.847 427 1HG2 VAL 117 2HG1 VAL 117 9.774 10.182 10.182 428 2HG2 VAL 117 1HG1 VAL 117 10.267 8.691 8.691 429 3HG2 VAL 117 3HG1 VAL 117 8.995 9.690 9.690 430 H ARG 118 H ARG 118 7.645 12.045 12.045 431 HA ARG 118 HA ARG 118 5.083 12.410 12.410 432 1HB ARG 118 2HB ARG 118 6.453 13.982 13.982 433 2HB ARG 118 1HB ARG 118 7.129 14.589 14.589 434 1HG ARG 118 2HG ARG 118 4.500 14.654 14.654 435 2HG ARG 118 1HG ARG 118 4.446 14.938 14.938 436 1HD ARG 118 1HD ARG 118 6.194 16.720 16.720 437 2HD ARG 118 2HD ARG 118 5.917 16.531 16.531 438 HE ARG 118 HE ARG 118 3.433 16.962 16.962 439 1HH1 ARG 118 1HH1 ARG 118 6.469 18.659 18.659 440 2HH1 ARG 118 2HH1 ARG 118 5.736 20.221 20.221 441 1HH2 ARG 118 1HH2 ARG 118 2.456 19.016 19.016 442 2HH2 ARG 118 2HH2 ARG 118 3.455 20.424 20.424 443 H GLY 119 H GLY 119 5.487 11.094 11.094 444 1HA GLY 119 2HA GLY 119 6.937 12.624 12.624 445 2HA GLY 119 1HA GLY 119 7.142 10.889 10.889 446 H LEU 120 H LEU 120 6.487 10.768 10.768 447 HA LEU 120 HA LEU 120 3.580 11.055 11.055 448 1HB LEU 120 2HB LEU 120 5.804 11.964 11.964 449 2HB LEU 120 1HB LEU 120 4.883 10.805 10.805 450 HG LEU 120 HG LEU 120 3.943 13.422 13.422 451 1HD1 LEU 120 1HD1 LEU 120 5.077 12.894 12.894 452 2HD1 LEU 120 3HD1 LEU 120 3.378 12.617 12.617 453 3HD1 LEU 120 2HD1 LEU 120 3.891 14.173 14.173 454 1HD2 LEU 120 3HD2 LEU 120 2.410 10.991 10.991 455 2HD2 LEU 120 2HD2 LEU 120 1.982 12.422 12.422 456 3HD2 LEU 120 1HD2 LEU 120 1.796 12.430 12.430 457 H LEU 121 H LEU 121 2.434 9.295 9.295 458 HA LEU 121 HA LEU 121 3.852 6.757 6.757 459 1HB LEU 121 1HB LEU 121 2.055 6.766 6.766 460 2HB LEU 121 2HB LEU 121 0.946 7.453 7.453 461 HG LEU 121 HG LEU 121 1.053 5.364 5.364 462 1HD1 LEU 121 2HD1 LEU 121 2.903 4.533 4.533 463 2HD1 LEU 121 1HD1 LEU 121 2.045 3.366 3.366 464 3HD1 LEU 121 3HD1 LEU 121 3.185 4.495 4.495 465 1HD2 LEU 121 1HD2 LEU 121 0.255 5.194 5.194 466 2HD2 LEU 121 3HD2 LEU 121 -0.768 5.509 5.509 467 3HD2 LEU 121 2HD2 LEU 121 -0.074 3.906 3.906 468 H HIS 122 H HIS 122 4.559 6.457 6.457 469 HA HIS 122 HA HIS 122 3.134 7.373 7.373 470 1HB HIS 122 2HB HIS 122 5.740 6.651 6.651 471 2HB HIS 122 1HB HIS 122 5.161 5.308 5.308 472 HD1 HIS 122 HD1 HIS 122 3.797 6.286 6.286 473 HD2 HIS 122 HD2 HIS 122 6.729 8.627 8.627 474 HE1 HIS 122 HE1 HIS 122 4.532 7.958 7.958 475 H VAL 123 H VAL 123 1.087 6.358 6.358 476 HA VAL 123 HA VAL 123 0.958 3.462 3.462 477 HB VAL 123 HB VAL 123 -1.263 5.503 5.503 478 1HG1 VAL 123 1HG1 VAL 123 -1.381 2.900 2.900 479 2HG1 VAL 123 3HG1 VAL 123 -1.996 2.790 2.790 480 3HG1 VAL 123 2HG1 VAL 123 -2.736 3.909 3.909 481 1HG2 VAL 123 3HG2 VAL 123 0.344 4.103 4.103 482 2HG2 VAL 123 2HG2 VAL 123 -0.702 5.512 5.512 483 3HG2 VAL 123 1HG2 VAL 123 -1.391 3.890 3.890 484 H SER 124 H SER 124 1.135 2.599 2.599 485 HA SER 124 HA SER 124 -0.217 3.919 3.919 486 1HB SER 124 1HB SER 124 2.033 2.734 2.734 487 2HB SER 124 2HB SER 124 1.770 4.460 4.460 488 HG SER 124 HG SER 124 3.543 4.222 4.222 489 H GLY 125 H GLY 125 -1.014 1.669 1.669 490 1HA GLY 125 2HA GLY 125 -1.706 -0.527 -0.527 491 2HA GLY 125 1HA GLY 125 -2.065 -0.059 -0.059 492 H ASP 126 H ASP 126 1.042 -0.455 -0.455 493 HA ASP 126 HA ASP 126 1.681 -2.921 -2.921 494 1HB ASP 126 1HB ASP 126 1.941 -0.781 -0.781 495 2HB ASP 126 2HB ASP 126 3.568 -0.926 -0.926 496 H GLY 127 H GLY 127 2.870 0.042 0.042 497 1HA GLY 127 2HA GLY 127 4.404 -1.549 -1.549 498 2HA GLY 127 1HA GLY 127 5.373 -0.544 -0.544 499 H LEU 128 H LEU 128 3.887 -0.684 -0.684 500 HA LEU 128 HA LEU 128 3.149 2.095 2.095 501 1HB LEU 128 1HB LEU 128 3.550 0.163 0.163 502 2HB LEU 128 2HB LEU 128 2.543 1.597 1.597 503 HG LEU 128 HG LEU 128 1.922 -0.658 -0.658 504 1HD1 LEU 128 3HD1 LEU 128 1.876 -0.795 -0.795 505 2HD1 LEU 128 2HD1 LEU 128 0.297 -1.092 -1.092 506 3HD1 LEU 128 1HD1 LEU 128 1.684 -2.074 -2.074 507 1HD2 LEU 128 3HD2 LEU 128 0.583 1.721 1.721 508 2HD2 LEU 128 2HD2 LEU 128 0.436 0.976 0.976 509 3HD2 LEU 128 1HD2 LEU 128 -0.417 0.284 0.284 510 H ARG 129 H ARG 129 5.219 2.960 2.960 511 HA ARG 129 HA ARG 129 7.492 2.617 2.617 512 1HB ARG 129 1HB ARG 129 7.104 4.466 4.466 513 2HB ARG 129 2HB ARG 129 8.629 4.151 4.151 514 1HG ARG 129 2HG ARG 129 8.284 1.711 1.711 515 2HG ARG 129 1HG ARG 129 7.009 2.288 2.288 516 1HD ARG 129 1HD ARG 129 9.948 2.910 2.910 517 2HD ARG 129 2HD ARG 129 8.957 2.128 2.128 518 HE ARG 129 HE ARG 129 9.303 4.936 4.936 519 1HH1 ARG 129 2HH2 ARG 129 7.073 2.503 2.503 520 2HH1 ARG 129 1HH2 ARG 129 6.221 3.581 3.581 521 1HH2 ARG 129 2HH1 ARG 129 8.187 6.365 6.365 522 2HH2 ARG 129 1HH1 ARG 129 6.854 5.777 5.777 523 H VAL 130 H VAL 130 7.398 3.618 3.618 524 HA VAL 130 HA VAL 130 6.102 6.221 6.221 525 HB VAL 130 HB VAL 130 5.466 4.705 4.705 526 1HG1 VAL 130 1HG2 VAL 130 8.409 4.282 4.282 527 2HG1 VAL 130 3HG2 VAL 130 7.149 3.737 3.737 528 3HG1 VAL 130 2HG2 VAL 130 7.219 3.098 3.098 529 1HG2 VAL 130 3HG1 VAL 130 6.133 7.150 7.150 530 2HG2 VAL 130 2HG1 VAL 130 5.777 6.012 6.012 531 3HG2 VAL 130 1HG1 VAL 130 7.451 6.388 6.388 532 H VAL 131 H VAL 131 7.326 7.902 7.902 533 HA VAL 131 HA VAL 131 10.196 7.886 7.886 534 HB VAL 131 HB VAL 131 8.616 10.007 10.007 535 1HG1 VAL 131 2HG1 VAL 131 11.561 9.377 9.377 536 2HG1 VAL 131 1HG1 VAL 131 10.815 10.599 10.599 537 3HG1 VAL 131 3HG1 VAL 131 10.758 10.771 10.771 538 1HG2 VAL 131 2HG2 VAL 131 9.355 7.360 7.360 539 2HG2 VAL 131 1HG2 VAL 131 8.352 8.572 8.572 540 3HG2 VAL 131 3HG2 VAL 131 10.105 8.603 8.603 541 H ASP 132 H ASP 132 11.128 9.125 9.125 542 HA ASP 132 HA ASP 132 9.417 10.495 10.495 543 1HB ASP 132 1HB ASP 132 12.352 10.798 10.798 544 2HB ASP 132 2HB ASP 132 11.146 10.376 10.376 545 H ASP 133 H ASP 133 9.053 12.634 12.634 546 HA ASP 133 HA ASP 133 10.018 14.334 14.334 547 1HB ASP 133 2HB ASP 133 7.678 14.372 14.372 548 2HB ASP 133 1HB ASP 133 8.405 15.213 15.213 549 H GLU 134 H GLU 134 11.550 13.376 13.376 550 HA GLU 134 HA GLU 134 12.639 16.016 16.016 551 1HB GLU 134 1HB GLU 134 11.851 14.400 14.400 552 2HB GLU 134 2HB GLU 134 13.275 13.441 13.441 553 1HG GLU 134 2HG GLU 134 14.390 14.674 14.674 554 2HG GLU 134 1HG GLU 134 14.240 16.024 16.024 555 H THR 135 H THR 135 13.410 13.026 13.026 556 HA THR 135 HA THR 135 15.918 14.154 14.154 557 HB THR 135 HB THR 135 17.184 12.078 12.078 558 HG1 THR 135 1HG THR 135 15.116 10.890 10.890 559 1HG2 THR 135 3HG2 THR 135 17.248 14.132 14.132 560 2HG2 THR 135 2HG2 THR 135 16.073 13.329 13.329 561 3HG2 THR 135 1HG2 THR 135 17.666 12.612 12.612 562 H LYS 136 H LYS 136 13.199 13.135 13.135 563 HA LYS 136 HA LYS 136 12.327 11.870 11.870 564 1HB LYS 136 2HB LYS 136 14.884 13.034 13.034 565 2HB LYS 136 1HB LYS 136 14.004 11.913 11.913 566 1HG LYS 136 1HG LYS 136 13.466 14.287 14.287 567 2HG LYS 136 2HG LYS 136 12.063 13.318 13.318 568 1HD LYS 136 2HD LYS 136 11.989 14.239 14.239 569 2HD LYS 136 1HD LYS 136 13.616 14.908 14.908 570 1HE LYS 136 2HE LYS 136 12.586 16.827 16.827 571 2HE LYS 136 1HE LYS 136 12.321 16.097 16.097 572 1HZ LYS 136 2HZ LYS 136 10.416 15.913 15.913 573 2HZ LYS 136 1HZ LYS 136 10.290 17.026 17.026 574 3HZ LYS 136 3HZ LYS 136 10.161 15.368 15.368 575 H GLY 137 H GLY 137 13.878 10.374 10.374 576 1HA GLY 137 1HA GLY 137 15.249 8.300 8.300 577 2HA GLY 137 2HA GLY 137 15.025 8.361 8.361 578 H LEU 138 H LEU 138 14.520 6.304 6.304 579 HA LEU 138 HA LEU 138 11.667 5.853 5.853 580 1HB LEU 138 1HB LEU 138 12.940 5.440 5.440 581 2HB LEU 138 2HB LEU 138 13.758 4.117 4.117 582 HG LEU 138 HG LEU 138 11.854 2.778 2.778 583 1HD1 LEU 138 2HD1 LEU 138 10.283 5.311 5.311 584 2HD1 LEU 138 1HD1 LEU 138 9.583 3.711 3.711 585 3HD1 LEU 138 3HD1 LEU 138 10.215 4.158 4.158 586 1HD2 LEU 138 1HD2 LEU 138 12.759 3.123 3.123 587 2HD2 LEU 138 3HD2 LEU 138 11.037 2.745 2.745 588 3HD2 LEU 138 2HD2 LEU 138 11.576 4.406 4.406 589 H ILE 139 H ILE 139 10.758 4.676 4.676 590 HA ILE 139 HA ILE 139 12.469 3.139 3.139 591 HB ILE 139 HB ILE 139 9.532 3.619 3.619 592 1HG1 ILE 139 2HG1 ILE 139 11.779 5.466 5.466 593 2HG1 ILE 139 1HG1 ILE 139 10.687 5.776 5.776 594 1HG2 ILE 139 2HG2 ILE 139 11.862 3.072 3.072 595 2HG2 ILE 139 1HG2 ILE 139 10.270 3.564 3.564 596 3HG2 ILE 139 3HG2 ILE 139 10.460 2.048 2.048 597 1HD1 ILE 139 3HD1 ILE 139 9.818 5.450 5.450 598 2HD1 ILE 139 2HD1 ILE 139 10.093 6.997 6.997 599 3HD1 ILE 139 1HD1 ILE 139 8.813 5.923 5.923 600 H VAL 140 H VAL 140 9.342 2.678 2.678 601 HA VAL 140 HA VAL 140 9.818 -0.219 -0.219 602 HB VAL 140 HB VAL 140 7.185 1.172 1.172 603 1HG1 VAL 140 1HG1 VAL 140 7.509 -1.164 -1.164 604 2HG1 VAL 140 3HG1 VAL 140 7.686 -1.693 -1.693 605 3HG1 VAL 140 2HG1 VAL 140 6.175 -0.959 -0.959 606 1HG2 VAL 140 2HG2 VAL 140 8.422 0.088 0.088 607 2HG2 VAL 140 1HG2 VAL 140 7.797 1.709 1.709 608 3HG2 VAL 140 3HG2 VAL 140 6.685 0.345 0.345 609 H ASP 141 H ASP 141 11.183 -0.207 -0.207 610 HA ASP 141 HA ASP 141 9.930 0.467 0.467 611 1HB ASP 141 2HB ASP 141 12.169 1.258 1.258 612 2HB ASP 141 1HB ASP 141 12.746 -0.270 -0.270 613 H GLN 142 H GLN 142 8.356 -1.304 -1.304 614 HA GLN 142 HA GLN 142 9.393 -3.787 -3.787 615 1HB GLN 142 2HB GLN 142 7.890 -3.534 -3.534 616 2HB GLN 142 1HB GLN 142 7.803 -5.010 -5.010 617 1HG GLN 142 2HG GLN 142 10.128 -5.401 -5.401 618 2HG GLN 142 1HG GLN 142 10.398 -3.792 -3.792 619 1HE2 GLN 142 1HE2 GLN 142 10.123 -6.631 -6.631 620 2HE2 GLN 142 2HE2 GLN 142 10.820 -6.631 -6.631 621 H THR 143 H THR 143 8.061 -4.739 -4.739 622 HA THR 143 HA THR 143 5.922 -3.309 -3.309 623 HB THR 143 HB THR 143 6.447 -6.272 -6.272 624 HG1 THR 143 1HG THR 143 7.474 -4.217 -4.217 625 1HG2 THR 143 3HG2 THR 143 4.337 -5.049 -5.049 626 2HG2 THR 143 2HG2 THR 143 5.508 -4.594 -4.594 627 3HG2 THR 143 1HG2 THR 143 5.213 -6.297 -6.297 628 H ILE 144 H ILE 144 3.773 -3.336 -3.336 629 HA ILE 144 HA ILE 144 2.706 -4.172 -4.172 630 HB ILE 144 HB ILE 144 1.767 -2.385 -2.385 631 1HG1 ILE 144 1HG1 ILE 144 -0.249 -4.516 -4.516 632 2HG1 ILE 144 2HG1 ILE 144 0.508 -3.427 -3.427 633 1HG2 ILE 144 3HG2 ILE 144 1.852 -4.122 -4.122 634 2HG2 ILE 144 2HG2 ILE 144 0.176 -4.364 -4.364 635 3HG2 ILE 144 1HG2 ILE 144 0.736 -2.757 -2.757 636 1HD1 ILE 144 3HD1 ILE 144 -0.527 -1.777 -1.777 637 2HD1 ILE 144 2HD1 ILE 144 -1.766 -2.996 -2.996 638 3HD1 ILE 144 1HD1 ILE 144 -1.152 -2.016 -2.016 639 H GLU 145 H GLU 145 2.801 -5.790 -5.790 640 HA GLU 145 HA GLU 145 0.954 -7.846 -7.846 641 1HB GLU 145 1HB GLU 145 1.520 -8.858 -8.858 642 2HB GLU 145 2HB GLU 145 1.511 -7.120 -7.120 643 1HG GLU 145 1HG GLU 145 3.522 -7.330 -7.330 644 2HG GLU 145 2HG GLU 145 4.131 -7.714 -7.714 645 H LYS 146 H LYS 146 4.323 -7.339 -7.339 646 HA LYS 146 HA LYS 146 4.756 -10.157 -10.157 647 1HB LYS 146 1HB LYS 146 6.430 -7.989 -7.989 648 2HB LYS 146 2HB LYS 146 7.090 -8.696 -8.696 649 1HG LYS 146 1HG LYS 146 6.224 -10.481 -10.481 650 2HG LYS 146 2HG LYS 146 7.767 -9.631 -9.631 651 1HD LYS 146 2HD LYS 146 6.946 -11.368 -11.368 652 2HD LYS 146 1HD LYS 146 7.929 -11.924 -11.924 653 1HE LYS 146 2HE LYS 146 9.251 -9.664 -9.664 654 2HE LYS 146 1HE LYS 146 8.652 -10.252 -10.252 655 1HZ LYS 146 3HZ LYS 146 9.669 -12.406 -12.406 656 2HZ LYS 146 2HZ LYS 146 10.288 -11.793 -11.793 657 3HZ LYS 146 1HZ LYS 146 10.819 -11.165 -11.165 658 H VAL 147 H VAL 147 3.068 -8.333 -8.333 659 HA VAL 147 HA VAL 147 4.549 -8.580 -8.580 660 HB VAL 147 HB VAL 147 2.302 -6.662 -6.662 661 1HG1 VAL 147 3HG1 VAL 147 4.400 -7.316 -7.316 662 2HG1 VAL 147 2HG1 VAL 147 4.858 -5.752 -5.752 663 3HG1 VAL 147 1HG1 VAL 147 3.314 -5.935 -5.935 664 1HG2 VAL 147 2HG2 VAL 147 3.423 -6.195 -6.195 665 2HG2 VAL 147 1HG2 VAL 147 3.507 -4.859 -4.859 666 3HG2 VAL 147 3HG2 VAL 147 4.916 -5.888 -5.888 667 H SER 148 H SER 148 2.834 -8.489 -8.489 668 HA SER 148 HA SER 148 1.037 -10.722 -10.722 669 1HB SER 148 1HB SER 148 2.658 -10.439 -10.439 670 2HB SER 148 2HB SER 148 1.381 -9.412 -9.412 671 HG SER 148 HG SER 148 0.026 -11.119 -11.119 672 H PHE 149 H PHE 149 0.563 -7.767 -7.767 673 HA PHE 149 HA PHE 149 -1.307 -6.527 -6.527 674 1HB PHE 149 1HB PHE 149 -2.854 -8.486 -8.486 675 2HB PHE 149 2HB PHE 149 -3.486 -7.385 -7.385 676 HD1 PHE 149 HD2 PHE 149 -2.104 -7.750 -7.750 677 HD2 PHE 149 HD1 PHE 149 -2.954 -10.683 -10.683 678 HE1 PHE 149 HE2 PHE 149 -1.925 -9.517 -9.517 679 HE2 PHE 149 HE1 PHE 149 -2.776 -12.455 -12.455 680 HZ PHE 149 HZ PHE 149 -2.260 -11.873 -11.873 681 H CYS 150 H CYS 150 -3.386 -5.784 -5.784 682 HA CYS 150 HA CYS 150 -2.007 -4.771 -4.771 683 1HB CYS 150 1HB CYS 150 -3.312 -2.676 -2.676 684 2HB CYS 150 2HB CYS 150 -2.209 -2.974 -2.974 685 HG CYS 150 HG CYS 150 -4.368 -2.308 -2.308 686 H ALA 151 H ALA 151 -3.738 -3.728 -3.728 687 HA ALA 151 HA ALA 151 -6.336 -4.845 -4.845 688 1HB ALA 151 2HB ALA 151 -4.226 -6.483 -6.483 689 2HB ALA 151 1HB ALA 151 -5.375 -6.039 -6.039 690 3HB ALA 151 3HB ALA 151 -5.940 -6.848 -6.848 691 HA PRO 152 HA PRO 152 -5.987 -1.050 -1.050 692 1HB PRO 152 1HB PRO 152 -8.699 -0.638 -0.638 693 2HB PRO 152 2HB PRO 152 -7.667 -0.092 -0.092 694 1HG PRO 152 2HG PRO 152 -9.403 -2.521 -2.521 695 2HG PRO 152 1HG PRO 152 -9.162 -1.414 -1.414 696 1HD PRO 152 2HD PRO 152 -7.952 -3.809 -3.809 697 2HD PRO 152 1HD PRO 152 -7.152 -2.392 -2.392 698 H ASP 153 H ASP 153 -5.670 -1.154 -1.154 699 HA ASP 153 HA ASP 153 -6.552 -3.219 -3.219 700 1HB ASP 153 2HB ASP 153 -5.836 -0.465 -0.465 701 2HB ASP 153 1HB ASP 153 -5.561 -2.018 -2.018 702 H ARG 154 H ARG 154 -7.477 -1.682 -1.682 703 HA ARG 154 HA ARG 154 -10.264 -1.368 -1.368 704 1HB ARG 154 2HB ARG 154 -9.003 -1.878 -1.878 705 2HB ARG 154 1HB ARG 154 -10.694 -1.430 -1.430 706 1HG ARG 154 1HG ARG 154 -11.268 -3.506 -3.506 707 2HG ARG 154 2HG ARG 154 -10.012 -3.611 -3.611 708 1HD ARG 154 1HD ARG 154 -9.502 -5.303 -5.303 709 2HD ARG 154 2HD ARG 154 -8.377 -3.994 -3.994 710 HE ARG 154 HE ARG 154 -10.674 -3.723 -3.723 711 1HH1 ARG 154 1HH1 ARG 154 -7.857 -5.735 -5.735 712 2HH1 ARG 154 2HH1 ARG 154 -7.789 -6.173 -6.173 713 1HH2 ARG 154 1HH2 ARG 154 -10.596 -4.291 -4.291 714 2HH2 ARG 154 2HH2 ARG 154 -9.347 -5.351 -5.351 715 H ASN 155 H ASN 155 -8.044 0.656 0.656 716 HA ASN 155 HA ASN 155 -8.390 2.737 2.737 717 1HB ASN 155 1HB ASN 155 -7.294 2.462 2.462 718 2HB ASN 155 2HB ASN 155 -7.870 4.077 4.077 719 1HD2 ASN 155 2HD2 ASN 155 -5.267 4.830 4.830 720 2HD2 ASN 155 1HD2 ASN 155 -6.785 5.293 5.293 721 H HIS 156 H HIS 156 -10.464 1.511 1.511 722 HA HIS 156 HA HIS 156 -12.710 1.886 1.886 723 1HB HIS 156 1HB HIS 156 -12.628 3.190 3.190 724 2HB HIS 156 2HB HIS 156 -12.375 4.636 4.636 725 HD1 HIS 156 HD1 HIS 156 -14.574 5.843 5.843 726 HD2 HIS 156 HD2 HIS 156 -15.036 1.807 1.807 727 HE1 HIS 156 HE1 HIS 156 -17.042 5.484 5.484 728 H GLU 157 H GLU 157 -10.368 4.370 4.370 729 HA GLU 157 HA GLU 157 -10.974 4.298 4.298 730 1HB GLU 157 2HB GLU 157 -12.980 5.651 5.651 731 2HB GLU 157 1HB GLU 157 -12.018 6.921 6.921 732 1HG GLU 157 2HG GLU 157 -13.052 6.568 6.568 733 2HG GLU 157 1HG GLU 157 -12.399 4.930 4.930 734 H ARG 158 H ARG 158 -8.604 4.297 4.297 735 HA ARG 158 HA ARG 158 -7.281 6.405 6.405 736 1HB ARG 158 1HB ARG 158 -6.264 7.498 7.498 737 2HB ARG 158 2HB ARG 158 -7.893 7.972 7.972 738 1HG ARG 158 1HG ARG 158 -8.496 5.986 5.986 739 2HG ARG 158 2HG ARG 158 -6.938 6.459 6.459 740 1HD ARG 158 2HD ARG 158 -8.420 7.802 7.802 741 2HD ARG 158 1HD ARG 158 -7.881 8.863 8.863 742 HE ARG 158 HE ARG 158 -10.199 7.479 7.479 743 1HH1 ARG 158 1HH1 ARG 158 -9.167 10.015 10.015 744 2HH1 ARG 158 2HH1 ARG 158 -10.688 10.843 10.843 745 1HH2 ARG 158 2HH2 ARG 158 -12.204 8.558 8.558 746 2HH2 ARG 158 1HH2 ARG 158 -12.416 10.015 10.015 747 H GLY 159 H GLY 159 -7.214 4.000 4.000 748 1HA GLY 159 1HA GLY 159 -4.346 3.719 3.719 749 2HA GLY 159 2HA GLY 159 -5.471 2.717 2.717 750 H PHE 160 H PHE 160 -3.314 2.764 2.764 751 HA PHE 160 HA PHE 160 -4.505 0.347 0.347 752 1HB PHE 160 1HB PHE 160 -2.547 2.124 2.124 753 2HB PHE 160 2HB PHE 160 -3.619 0.902 0.902 754 HD1 PHE 160 HD1 PHE 160 -6.221 1.475 1.475 755 HD2 PHE 160 HD2 PHE 160 -3.092 4.227 4.227 756 HE1 PHE 160 HE1 PHE 160 -7.892 3.213 3.213 757 HE2 PHE 160 HE2 PHE 160 -4.757 5.968 5.968 758 HZ PHE 160 HZ PHE 160 -7.159 5.463 5.463 759 H SER 161 H SER 161 -2.798 -1.138 -1.138 760 HA SER 161 HA SER 161 -0.126 -0.957 -0.957 761 1HB SER 161 2HB SER 161 -0.925 -3.296 -3.296 762 2HB SER 161 1HB SER 161 -0.293 -1.800 -1.800 763 HG SER 161 HG SER 161 -2.905 -2.720 -2.720 764 H TYR 162 H TYR 162 0.863 -1.836 -1.836 765 HA TYR 162 HA TYR 162 -0.359 -4.046 -4.046 766 1HB TYR 162 1HB TYR 162 2.295 -2.746 -2.746 767 2HB TYR 162 2HB TYR 162 1.256 -3.655 -3.655 768 HD1 TYR 162 HD2 TYR 162 -1.266 -2.078 -2.078 769 HD2 TYR 162 HD1 TYR 162 2.370 -0.968 -0.968 770 HE1 TYR 162 HE2 TYR 162 -2.309 0.017 0.017 771 HE2 TYR 162 HE1 TYR 162 1.337 1.131 1.131 772 HH TYR 162 HH2 TYR 162 -0.502 2.595 2.595 773 H ILE 163 H ILE 163 1.527 -5.643 -5.643 774 HA ILE 163 HA ILE 163 3.406 -6.381 -6.381 775 HB ILE 163 HB ILE 163 2.230 -8.832 -8.832 776 1HG1 ILE 163 1HG1 ILE 163 -0.032 -6.862 -6.862 777 2HG1 ILE 163 2HG1 ILE 163 0.223 -7.797 -7.797 778 1HG2 ILE 163 1HG2 ILE 163 2.443 -6.734 -6.734 779 2HG2 ILE 163 3HG2 ILE 163 1.178 -7.926 -7.926 780 3HG2 ILE 163 2HG2 ILE 163 2.848 -8.450 -8.450 781 1HD1 ILE 163 2HD1 ILE 163 0.138 -9.411 -9.411 782 2HD1 ILE 163 1HD1 ILE 163 -1.356 -8.542 -8.542 783 3HD1 ILE 163 3HD1 ILE 163 -0.671 -9.639 -9.639 784 H CYS 164 H CYS 164 4.977 -7.802 -7.802 785 HA CYS 164 HA CYS 164 4.718 -8.858 -8.858 786 1HB CYS 164 1HB CYS 164 6.868 -8.059 -8.059 787 2HB CYS 164 2HB CYS 164 5.994 -6.681 -6.681 788 HG CYS 164 HG CYS 164 8.244 -6.474 -6.474 789 H ARG 165 H ARG 165 5.933 -10.726 -10.726 790 HA ARG 165 HA ARG 165 6.836 -12.104 -12.104 791 1HB ARG 165 1HB ARG 165 6.578 -14.146 -14.146 792 2HB ARG 165 2HB ARG 165 5.175 -13.454 -13.454 793 1HG ARG 165 1HG ARG 165 4.399 -12.450 -12.450 794 2HG ARG 165 2HG ARG 165 5.986 -12.483 -12.483 795 1HD ARG 165 2HD ARG 165 5.658 -15.092 -15.092 796 2HD ARG 165 1HD ARG 165 3.955 -14.640 -14.640 797 HE ARG 165 HE ARG 165 4.082 -14.085 -14.085 798 1HH1 ARG 165 1HH1 ARG 165 7.288 -14.566 -14.566 799 2HH1 ARG 165 2HH1 ARG 165 8.050 -14.533 -14.533 800 1HH2 ARG 165 1HH2 ARG 165 5.072 -14.038 -14.038 801 2HH2 ARG 165 2HH2 ARG 165 6.789 -14.233 -14.233 802 H ASP 166 H ASP 166 8.948 -11.149 -11.149 803 HA ASP 166 HA ASP 166 11.130 -10.959 -10.959 804 1HB ASP 166 1HB ASP 166 12.074 -13.311 -13.311 805 2HB ASP 166 2HB ASP 166 11.501 -13.037 -13.037 806 H GLY 167 H GLY 167 12.753 -11.973 -11.973 807 1HA GLY 167 1HA GLY 167 12.797 -12.410 -12.410 808 2HA GLY 167 2HA GLY 167 11.413 -11.333 -11.333 809 H THR 168 H THR 168 12.012 -9.132 -9.132 810 HA THR 168 HA THR 168 14.682 -8.272 -8.272 811 HB THR 168 HB THR 168 12.913 -6.089 -6.089 812 HG1 THR 168 1HG THR 168 11.400 -6.880 -6.880 813 1HG2 THR 168 3HG2 THR 168 15.002 -6.474 -6.474 814 2HG2 THR 168 2HG2 THR 168 14.227 -7.806 -7.806 815 3HG2 THR 168 1HG2 THR 168 13.628 -6.160 -6.160 816 H THR 169 H THR 169 13.376 -8.932 -8.932 817 HA THR 169 HA THR 169 14.057 -6.437 -6.437 818 HB THR 169 HB THR 169 11.948 -7.720 -7.720 819 HG1 THR 169 1HG THR 169 10.718 -8.375 -8.375 820 1HG2 THR 169 1HG2 THR 169 12.562 -5.303 -5.303 821 2HG2 THR 169 3HG2 THR 169 11.789 -5.144 -5.144 822 3HG2 THR 169 2HG2 THR 169 10.837 -5.632 -5.632 823 H ARG 170 H ARG 170 12.715 -9.526 -9.526 824 HA ARG 170 HA ARG 170 15.107 -10.703 -10.703 825 1HB ARG 170 2HB ARG 170 14.318 -10.272 -10.272 826 2HB ARG 170 1HB ARG 170 15.637 -9.434 -9.434 827 1HG ARG 170 1HG ARG 170 14.366 -7.519 -7.519 828 2HG ARG 170 2HG ARG 170 12.841 -8.372 -8.372 829 1HD ARG 170 1HD ARG 170 13.421 -6.928 -6.928 830 2HD ARG 170 2HD ARG 170 13.319 -8.629 -8.629 831 HE ARG 170 HE ARG 170 15.981 -7.978 -7.978 832 1HH1 ARG 170 1HH1 ARG 170 13.583 -7.439 -7.439 833 2HH1 ARG 170 2HH1 ARG 170 14.745 -7.235 -7.235 834 1HH2 ARG 170 1HH2 ARG 170 17.521 -7.712 -7.712 835 2HH2 ARG 170 2HH2 ARG 170 16.985 -7.391 -7.391 836 H ARG 171 H ARG 171 12.181 -10.311 -10.311 837 HA ARG 171 HA ARG 171 11.326 -13.012 -13.012 838 1HB ARG 171 2HB ARG 171 10.911 -13.638 -13.638 839 2HB ARG 171 1HB ARG 171 12.564 -13.044 -13.044 840 1HG ARG 171 2HG ARG 171 12.159 -11.416 -11.416 841 2HG ARG 171 1HG ARG 171 10.671 -10.938 -10.938 842 1HD ARG 171 1HD ARG 171 10.202 -11.667 -11.667 843 2HD ARG 171 2HD ARG 171 9.480 -12.771 -12.771 844 HE ARG 171 HE ARG 171 10.774 -14.433 -14.433 845 1HH1 ARG 171 1HH1 ARG 171 12.229 -11.371 -11.371 846 2HH1 ARG 171 2HH1 ARG 171 13.474 -12.072 -12.072 847 1HH2 ARG 171 1HH2 ARG 171 12.409 -15.366 -15.366 848 2HH2 ARG 171 2HH2 ARG 171 13.575 -14.343 -14.343 849 H TRP 172 H TRP 172 9.130 -12.908 -12.908 850 HA TRP 172 HA TRP 172 7.167 -11.645 -11.645 851 1HB TRP 172 1HB TRP 172 6.853 -12.186 -12.186 852 2HB TRP 172 2HB TRP 172 5.622 -12.236 -12.236 853 HD1 TRP 172 HD1 TRP 172 7.277 -14.548 -14.548 854 HE1 TRP 172 HE1 TRP 172 7.488 -16.885 -16.885 855 HE3 TRP 172 HE3 TRP 172 6.342 -13.330 -13.330 856 HZ2 TRP 172 2HZ TRP 172 7.285 -18.060 -18.060 857 HZ3 TRP 172 HZ3 TRP 172 6.368 -15.122 -15.122 858 HH2 TRP 172 HH2 TRP 172 6.831 -17.436 -17.436 859 H MET 173 H MET 173 7.998 -9.542 -9.542 860 HA MET 173 HA MET 173 8.257 -7.759 -7.759 861 1HB MET 173 1HB MET 173 8.833 -7.532 -7.532 862 2HB MET 173 2HB MET 173 8.782 -6.098 -6.098 863 1HG MET 173 1HG MET 173 10.404 -8.171 -8.171 864 2HG MET 173 2HG MET 173 10.952 -7.762 -7.762 865 1HE MET 173 2HE MET 173 9.744 -6.249 -6.249 866 2HE MET 173 1HE MET 173 11.358 -6.892 -6.892 867 3HE MET 173 3HE MET 173 11.071 -5.152 -5.152 868 H CYS 174 H CYS 174 6.637 -6.599 -6.599 869 HA CYS 174 HA CYS 174 4.237 -6.253 -6.253 870 1HB CYS 174 2HB CYS 174 4.858 -6.222 -6.222 871 2HB CYS 174 1HB CYS 174 3.620 -5.091 -5.091 872 HG CYS 174 HG CYS 174 2.044 -6.948 -6.948 873 H HIS 175 H HIS 175 3.217 -4.110 -4.110 874 HA HIS 175 HA HIS 175 5.118 -1.899 -1.899 875 1HB HIS 175 2HB HIS 175 3.427 -2.372 -2.372 876 2HB HIS 175 1HB HIS 175 4.542 -1.036 -1.036 877 HD1 HIS 175 HD1 HIS 175 6.786 -1.373 -1.373 878 HD2 HIS 175 HD2 HIS 175 4.891 -4.967 -4.967 879 HE1 HIS 175 HE1 HIS 175 8.305 -3.200 -3.200 880 H GLY 176 H GLY 176 4.246 -0.357 -0.357 881 1HA GLY 176 1HA GLY 176 1.335 -0.200 -0.200 882 2HA GLY 176 2HA GLY 176 2.510 0.602 0.602 883 H PHE 177 H PHE 177 0.324 1.013 1.013 884 HA PHE 177 HA PHE 177 1.640 3.486 3.486 885 1HB PHE 177 1HB PHE 177 -0.029 1.470 1.470 886 2HB PHE 177 2HB PHE 177 -0.459 3.135 3.135 887 HD1 PHE 177 HD2 PHE 177 1.517 4.691 4.691 888 HD2 PHE 177 HD1 PHE 177 1.657 0.440 0.440 889 HE1 PHE 177 HE2 PHE 177 3.368 4.807 4.807 890 HE2 PHE 177 HE1 PHE 177 3.508 0.548 0.548 891 HZ PHE 177 HZ PHE 177 4.367 2.734 2.734 892 H LEU 178 H LEU 178 0.901 5.315 5.315 893 HA LEU 178 HA LEU 178 -1.898 5.428 5.428 894 1HB LEU 178 2HB LEU 178 0.216 5.714 5.714 895 2HB LEU 178 1HB LEU 178 0.121 7.364 7.364 896 HG LEU 178 HG LEU 178 -2.435 7.056 7.056 897 1HD1 LEU 178 3HD2 LEU 178 -1.059 4.794 4.794 898 2HD1 LEU 178 2HD2 LEU 178 -1.847 5.808 5.808 899 3HD1 LEU 178 1HD2 LEU 178 -2.786 5.130 5.130 900 1HD2 LEU 178 3HD1 LEU 178 -0.080 8.204 8.204 901 2HD2 LEU 178 2HD1 LEU 178 -1.748 8.774 8.774 902 3HD2 LEU 178 1HD1 LEU 178 -1.162 7.634 7.634 903 H ALA 179 H ALA 179 -3.058 6.453 6.453 904 HA ALA 179 HA ALA 179 -2.161 8.141 8.141 905 1HB ALA 179 3HB ALA 179 -4.700 7.313 7.313 906 2HB ALA 179 2HB ALA 179 -4.746 9.029 9.029 907 3HB ALA 179 1HB ALA 179 -4.276 7.851 7.851 908 H CYS 180 H CYS 180 -1.883 10.315 10.315 909 HA CYS 180 HA CYS 180 -1.142 11.840 11.840 910 1HB CYS 180 1HB CYS 180 -0.149 12.313 12.313 911 2HB CYS 180 2HB CYS 180 -1.724 12.635 12.635 912 HG CYS 180 HG CYS 180 -0.983 14.571 14.571 913 H LYS 181 H LYS 181 -3.935 12.131 12.131 914 HA LYS 181 HA LYS 181 -5.230 14.129 14.129 915 1HB LYS 181 1HB LYS 181 -6.577 12.258 12.258 916 2HB LYS 181 2HB LYS 181 -7.067 13.885 13.885 917 1HG LYS 181 1HG LYS 181 -4.605 13.156 13.156 918 2HG LYS 181 2HG LYS 181 -6.099 13.830 13.830 919 1HD LYS 181 2HD LYS 181 -5.310 15.531 15.531 920 2HD LYS 181 1HD LYS 181 -3.857 15.187 15.187 921 1HE LYS 181 1HE LYS 181 -4.765 16.074 16.074 922 2HE LYS 181 2HE LYS 181 -6.416 15.962 15.962 923 1HZ LYS 181 1HZ LYS 181 -4.458 17.738 17.738 924 2HZ LYS 181 3HZ LYS 181 -5.285 18.246 18.246 925 3HZ LYS 181 2HZ LYS 181 -6.147 17.828 17.828 926 H ASP 182 H ASP 182 -5.021 10.700 10.700 927 HA ASP 182 HA ASP 182 -6.062 9.124 9.124 928 1HB ASP 182 2HB ASP 182 -6.775 10.774 10.774 929 2HB ASP 182 1HB ASP 182 -5.550 9.521 9.521 930 H SER 183 H SER 183 -7.864 9.260 9.260 931 HA SER 183 HA SER 183 -10.345 9.311 9.311 932 1HB SER 183 1HB SER 183 -11.338 11.006 11.006 933 2HB SER 183 2HB SER 183 -10.444 11.620 11.620 934 HG SER 183 HG SER 183 -9.361 12.632 12.632 935 H GLY 184 H GLY 184 -8.691 7.544 7.544 936 1HA GLY 184 2HA GLY 184 -8.927 6.104 6.104 937 2HA GLY 184 1HA GLY 184 -10.595 6.051 6.051 938 H GLU 185 H GLU 185 -9.208 9.009 9.009 939 HA GLU 185 HA GLU 185 -10.609 8.628 8.628 940 1HB GLU 185 1HB GLU 185 -11.060 10.697 10.697 941 2HB GLU 185 2HB GLU 185 -10.957 11.289 11.289 942 1HG GLU 185 1HG GLU 185 -13.055 10.694 10.694 943 2HG GLU 185 2HG GLU 185 -12.629 9.012 9.012 944 H ARG 186 H ARG 186 -8.038 8.141 8.141 945 HA ARG 186 HA ARG 186 -6.951 10.027 10.027 946 1HB ARG 186 2HB ARG 186 -6.716 11.023 11.023 947 2HB ARG 186 1HB ARG 186 -5.268 10.027 10.027 948 1HG ARG 186 2HG ARG 186 -4.675 12.235 12.235 949 2HG ARG 186 1HG ARG 186 -4.580 11.182 11.182 950 1HD ARG 186 1HD ARG 186 -6.484 12.081 12.081 951 2HD ARG 186 2HD ARG 186 -7.096 12.688 12.688 952 HE ARG 186 HE ARG 186 -4.662 13.966 13.966 953 1HH1 ARG 186 1HH1 ARG 186 -8.091 13.916 13.916 954 2HH1 ARG 186 2HH1 ARG 186 -8.161 15.572 15.572 955 1HH2 ARG 186 1HH2 ARG 186 -4.741 16.150 16.150 956 2HH2 ARG 186 2HH2 ARG 186 -6.257 16.841 16.841 957 H LEU 187 H LEU 187 -6.308 7.463 7.463 958 HA LEU 187 HA LEU 187 -4.411 6.288 6.288 959 1HB LEU 187 2HB LEU 187 -4.360 6.330 6.330 960 2HB LEU 187 1HB LEU 187 -3.508 5.089 5.089 961 HG LEU 187 HG LEU 187 -2.146 6.789 6.789 962 1HD1 LEU 187 3HD1 LEU 187 -3.998 8.630 8.630 963 2HD1 LEU 187 2HD1 LEU 187 -2.349 9.144 9.144 964 3HD1 LEU 187 1HD1 LEU 187 -3.427 8.691 8.691 965 1HD2 LEU 187 3HD2 LEU 187 -2.078 6.111 6.111 966 2HD2 LEU 187 2HD2 LEU 187 -0.739 6.603 6.603 967 3HD2 LEU 187 1HD2 LEU 187 -1.641 7.815 7.815 968 H SER 188 H SER 188 -6.929 5.662 5.662 969 HA SER 188 HA SER 188 -7.090 2.905 2.905 970 1HB SER 188 2HB SER 188 -8.389 4.199 4.199 971 2HB SER 188 1HB SER 188 -9.354 4.894 4.894 972 HG SER 188 HG SER 188 -10.335 2.980 2.980 973 H HIS 189 H HIS 189 -8.958 5.258 5.258 974 HA HIS 189 HA HIS 189 -9.961 3.221 3.221 975 1HB HIS 189 2HB HIS 189 -10.603 5.903 5.903 976 2HB HIS 189 1HB HIS 189 -10.148 5.871 5.871 977 HD1 HIS 189 HD1 HIS 189 -12.170 5.597 5.597 978 HD2 HIS 189 HD2 HIS 189 -12.478 3.502 3.502 979 HE1 HIS 189 HE1 HIS 189 -14.413 4.430 4.430 980 H ALA 190 H ALA 190 -7.282 5.463 5.463 981 HA ALA 190 HA ALA 190 -6.632 5.267 5.267 982 1HB ALA 190 3HB ALA 190 -5.810 6.918 6.918 983 2HB ALA 190 2HB ALA 190 -4.494 5.746 5.746 984 3HB ALA 190 1HB ALA 190 -4.813 6.562 6.562 985 H VAL 191 H VAL 191 -4.852 3.902 3.902 986 HA VAL 191 HA VAL 191 -3.252 2.167 2.167 987 HB VAL 191 HB VAL 191 -4.252 1.695 1.695 988 1HG1 VAL 191 2HG2 VAL 191 -2.319 0.362 0.362 989 2HG1 VAL 191 1HG2 VAL 191 -1.644 0.849 0.849 990 3HG1 VAL 191 3HG2 VAL 191 -3.071 -0.187 -0.187 991 1HG2 VAL 191 1HG1 VAL 191 -2.972 3.942 3.942 992 2HG2 VAL 191 3HG1 VAL 191 -2.874 3.284 3.284 993 3HG2 VAL 191 2HG1 VAL 191 -1.615 2.913 2.913 994 H GLY 192 H GLY 192 -6.259 1.374 1.374 995 1HA GLY 192 1HA GLY 192 -6.466 -1.294 -1.294 996 2HA GLY 192 2HA GLY 192 -7.854 -0.233 -0.233 997 H CYS 193 H CYS 193 -7.571 1.434 1.434 998 HA CYS 193 HA CYS 193 -8.611 -0.186 -0.186 999 1HB CYS 193 2HB CYS 193 -9.043 2.325 2.325 1000 2HB CYS 193 1HB CYS 193 -7.599 2.609 2.609 1001 HG CYS 193 HG CYS 193 -8.952 1.338 1.338 1002 H ALA 194 H ALA 194 -5.447 0.988 0.988 1003 HA ALA 194 HA ALA 194 -4.141 0.859 0.859 1004 1HB ALA 194 1HB ALA 194 -3.380 1.333 1.333 1005 2HB ALA 194 3HB ALA 194 -2.572 -0.195 -0.195 1006 3HB ALA 194 2HB ALA 194 -2.286 1.210 1.210 1007 H PHE 195 H PHE 195 -4.883 -1.711 -1.711 1008 HA PHE 195 HA PHE 195 -3.482 -3.777 -3.777 1009 1HB PHE 195 1HB PHE 195 -5.881 -3.848 -3.848 1010 2HB PHE 195 2HB PHE 195 -5.031 -5.289 -5.289 1011 HD1 PHE 195 HD1 PHE 195 -2.804 -5.807 -5.807 1012 HD2 PHE 195 HD2 PHE 195 -4.890 -2.356 -2.356 1013 HE1 PHE 195 HE1 PHE 195 -1.207 -5.578 -5.578 1014 HE2 PHE 195 HE2 PHE 195 -3.297 -2.120 -2.120 1015 HZ PHE 195 HZ PHE 195 -1.453 -3.734 -3.734 1016 H ALA 196 H ALA 196 -6.458 -2.193 -2.193 1017 HA ALA 196 HA ALA 196 -7.965 -4.057 -4.057 1018 1HB ALA 196 3HB ALA 196 -8.473 -1.604 -1.604 1019 2HB ALA 196 2HB ALA 196 -7.521 -1.292 -1.292 1020 3HB ALA 196 1HB ALA 196 -8.975 -2.287 -2.287 1021 H VAL 197 H VAL 197 -4.932 -2.669 -2.669 1022 HA VAL 197 HA VAL 197 -5.111 -3.633 -3.633 1023 HB VAL 197 HB VAL 197 -2.782 -2.448 -2.448 1024 1HG1 VAL 197 3HG2 VAL 197 -2.012 -3.903 -3.903 1025 2HG1 VAL 197 2HG2 VAL 197 -3.053 -3.047 -3.047 1026 3HG1 VAL 197 1HG2 VAL 197 -1.704 -2.207 -2.207 1027 1HG2 VAL 197 1HG1 VAL 197 -4.766 -1.288 -1.288 1028 2HG2 VAL 197 3HG1 VAL 197 -4.469 -0.802 -0.802 1029 3HG2 VAL 197 2HG1 VAL 197 -3.253 -0.492 -0.492 1030 H CYS 198 H CYS 198 -3.761 -4.673 -4.673 1031 HA CYS 198 HA CYS 198 -1.995 -6.650 -6.650 1032 1HB CYS 198 1HB CYS 198 -2.701 -5.741 -5.741 1033 2HB CYS 198 2HB CYS 198 -3.637 -7.230 -7.230 1034 HG CYS 198 HG CYS 198 -0.906 -7.210 -7.210 1035 H LEU 199 H LEU 199 -5.476 -6.729 -6.729 1036 HA LEU 199 HA LEU 199 -5.601 -9.464 -9.464 1037 1HB LEU 199 2HB LEU 199 -7.943 -7.908 -7.908 1038 2HB LEU 199 1HB LEU 199 -7.732 -9.647 -9.647 1039 HG LEU 199 HG LEU 199 -5.757 -9.126 -9.126 1040 1HD1 LEU 199 1HD1 LEU 199 -7.210 -6.638 -6.638 1041 2HD1 LEU 199 3HD1 LEU 199 -7.242 -7.295 -7.295 1042 3HD1 LEU 199 2HD1 LEU 199 -5.699 -7.010 -7.010 1043 1HD2 LEU 199 2HD2 LEU 199 -8.676 -9.273 -9.273 1044 2HD2 LEU 199 1HD2 LEU 199 -7.593 -10.635 -10.635 1045 3HD2 LEU 199 3HD2 LEU 199 -7.332 -9.578 -9.578 1046 H GLU 200 H GLU 200 -6.611 -6.170 -6.170 1047 HA GLU 200 HA GLU 200 -7.429 -5.100 -5.100 1048 1HB GLU 200 2HB GLU 200 -5.409 -6.036 -6.036 1049 2HB GLU 200 1HB GLU 200 -6.291 -7.499 -7.499 1050 1HG GLU 200 1HG GLU 200 -7.426 -6.495 -6.495 1051 2HG GLU 200 2HG GLU 200 -7.341 -4.896 -4.896 1052 H ARG 201 H ARG 201 -9.047 -7.302 -7.302 1053 HA ARG 201 HA ARG 201 -11.424 -6.943 -6.943 1054 1HB ARG 201 1HB ARG 201 -9.884 -8.643 -8.643 1055 2HB ARG 201 2HB ARG 201 -10.767 -9.783 -9.783 1056 1HG ARG 201 2HG ARG 201 -12.502 -9.616 -9.616 1057 2HG ARG 201 1HG ARG 201 -12.638 -7.900 -7.900 1058 1HD ARG 201 2HD ARG 201 -11.154 -7.313 -7.313 1059 2HD ARG 201 1HD ARG 201 -10.807 -9.010 -9.010 1060 HE ARG 201 HE ARG 201 -13.539 -8.711 -8.711 1061 1HH1 ARG 201 1HH2 ARG 201 -10.666 -7.422 -7.422 1062 2HH1 ARG 201 2HH2 ARG 201 -11.416 -7.180 -7.180 1063 1HH2 ARG 201 1HH1 ARG 201 -14.537 -8.397 -8.397 1064 2HH2 ARG 201 2HH1 ARG 201 -13.618 -7.734 -7.734 1065 H LYS 202 H LYS 202 -10.432 -7.060 -7.060 1066 HA LYS 202 HA LYS 202 -10.804 -8.002 -8.002 1067 1HB LYS 202 2HB LYS 202 -13.579 -8.562 -8.562 1068 2HB LYS 202 1HB LYS 202 -13.070 -7.975 -7.975 1069 1HG LYS 202 1HG LYS 202 -13.058 -6.427 -6.427 1070 2HG LYS 202 2HG LYS 202 -14.157 -6.208 -6.208 1071 1HD LYS 202 1HD LYS 202 -11.372 -6.067 -6.067 1072 2HD LYS 202 2HD LYS 202 -11.773 -4.865 -4.865 1073 1HE LYS 202 2HE LYS 202 -13.538 -5.266 -5.266 1074 2HE LYS 202 1HE LYS 202 -12.091 -4.264 -4.264 1075 1HZ LYS 202 2HZ LYS 202 -13.187 -3.267 -3.267 1076 2HZ LYS 202 1HZ LYS 202 -14.593 -3.763 -3.763 1077 3HZ LYS 202 3HZ LYS 202 -13.532 -2.677 -2.677 1078 H GLN 203 H GLN 203 -9.698 -9.898 -9.898 1079 HA GLN 203 HA GLN 203 -10.963 -12.307 -12.307 1080 1HB GLN 203 1HB GLN 203 -8.354 -11.383 -11.383 1081 2HB GLN 203 2HB GLN 203 -8.232 -12.689 -12.689 1082 1HG GLN 203 1HG GLN 203 -8.119 -14.055 -14.055 1083 2HG GLN 203 2HG GLN 203 -9.843 -13.753 -13.753 1084 1HE2 GLN 203 1HE2 GLN 203 -7.805 -13.072 -13.072 1085 2HE2 GLN 203 2HE2 GLN 203 -7.778 -14.370 -14.370 1086 H ARG 204 H ARG 204 -9.650 -10.947 -10.947 1087 HA ARG 204 HA ARG 204 -9.497 -11.740 -11.740 1088 1HB ARG 204 2HB ARG 204 -12.259 -12.189 -12.189 1089 2HB ARG 204 1HB ARG 204 -11.839 -12.934 -12.934 1090 1HG ARG 204 1HG ARG 204 -11.945 -10.992 -10.992 1091 2HG ARG 204 2HG ARG 204 -10.977 -10.169 -10.169 1092 1HD ARG 204 1HD ARG 204 -12.812 -9.118 -9.118 1093 2HD ARG 204 2HD ARG 204 -13.464 -10.671 -10.671 1094 HE ARG 204 HE ARG 204 -14.201 -9.173 -9.173 1095 1HH1 ARG 204 2HH1 ARG 204 -14.170 -12.298 -12.298 1096 2HH1 ARG 204 1HH1 ARG 204 -15.488 -12.916 -12.916 1097 1HH2 ARG 204 1HH2 ARG 204 -15.937 -9.977 -9.977 1098 2HH2 ARG 204 2HH2 ARG 204 -16.492 -11.596 -11.596 1099 H ARG 205 H ARG 205 -7.885 -13.371 -13.371 1100 HA ARG 205 HA ARG 205 -8.475 -16.021 -16.021 1101 1HB ARG 205 1HB ARG 205 -6.112 -16.470 -16.470 1102 2HB ARG 205 2HB ARG 205 -6.277 -15.297 -15.297 1103 1HG ARG 205 2HG ARG 205 -6.025 -13.473 -13.473 1104 2HG ARG 205 1HG ARG 205 -5.959 -14.611 -14.611 1105 1HD ARG 205 1HD ARG 205 -3.995 -14.517 -14.517 1106 2HD ARG 205 2HD ARG 205 -3.728 -13.801 -13.801 1107 HE ARG 205 HE ARG 205 -4.351 -16.467 -16.467 1108 1HH1 ARG 205 1HH1 ARG 205 -1.864 -14.621 -14.621 1109 2HH1 ARG 205 2HH1 ARG 205 -0.636 -15.816 -15.816 1110 1HH2 ARG 205 1HH2 ARG 205 -2.741 -18.048 -18.048 1111 2HH2 ARG 205 2HH2 ARG 205 -1.134 -17.764 -17.764 1112 H THR 206 H THR 206 -9.521 -17.432 -17.432 1113 HA THR 206 HA THR 206 -8.792 -17.745 -17.745 1114 HB THR 206 HB THR 206 -11.217 -17.843 -17.843 1115 HG1 THR 206 1HG THR 206 -11.480 -16.991 -16.991 1116 1HG2 THR 206 3HG2 THR 206 -9.855 -15.820 -15.820 1117 2HG2 THR 206 2HG2 THR 206 -10.440 -15.158 -15.158 1118 3HG2 THR 206 1HG2 THR 206 -11.575 -15.497 -15.497 1119 H ARG 207 H ARG 207 -8.544 -19.240 -19.240 1120 HA ARG 207 HA ARG 207 -9.675 -21.766 -21.766 1121 1HB ARG 207 1HB ARG 207 -10.691 -20.420 -20.420 1122 2HB ARG 207 2HB ARG 207 -9.611 -21.613 -21.613 1123 1HG ARG 207 2HG ARG 207 -11.622 -22.405 -22.405 1124 2HG ARG 207 1HG ARG 207 -12.079 -22.231 -22.231 1125 1HD ARG 207 1HD ARG 207 -9.647 -23.747 -23.747 1126 2HD ARG 207 2HD ARG 207 -10.911 -24.457 -24.457 1127 HE ARG 207 HE ARG 207 -12.129 -23.983 -23.983 1128 1HH1 ARG 207 1HH1 ARG 207 -9.294 -25.732 -25.732 1129 2HH1 ARG 207 2HH1 ARG 207 -9.400 -26.900 -26.900 1130 1HH2 ARG 207 2HH2 ARG 207 -12.278 -25.515 -25.515 1131 2HH2 ARG 207 1HH2 ARG 207 -11.095 -26.777 -26.777 1132 H ALA 208 H ALA 208 -7.615 -20.444 -20.444 1133 HA ALA 208 HA ALA 208 -5.415 -22.121 -22.121 1134 1HB ALA 208 2HB ALA 208 -6.620 -22.391 -22.391 1135 2HB ALA 208 1HB ALA 208 -5.059 -23.057 -23.057 1136 3HB ALA 208 3HB ALA 208 -6.537 -23.629 -23.629 1137 H ALA 209 H ALA 209 -6.073 -20.525 -20.525 1138 HA ALA 209 HA ALA 209 -5.025 -18.827 -18.827 1139 1HB ALA 209 3HB ALA 209 -4.931 -17.990 -17.990 1140 2HB ALA 209 2HB ALA 209 -3.884 -17.125 -17.125 1141 3HB ALA 209 1HB ALA 209 -5.625 -17.177 -17.177 1142 H ALA 210 H ALA 210 -2.948 -18.082 -18.082 1143 HA ALA 210 HA ALA 210 -0.758 -18.394 -18.394 1144 1HB ALA 210 2HB ALA 210 -0.838 -17.839 -17.839 1145 2HB ALA 210 1HB ALA 210 0.085 -19.342 -19.342 1146 3HB ALA 210 3HB ALA 210 0.632 -17.950 -17.950 1147 1H ALA 1 2HT ALA 1 -14.160 -8.154 -8.154 1148 2H ALA 1 1HT ALA 1 -12.662 -8.342 -8.342 1149 3H ALA 1 3HT ALA 1 -13.909 -7.397 -7.397 1150 HA ALA 1 HA ALA 1 -13.743 -5.785 -5.785 1151 1HB ALA 1 3HB ALA 1 -11.492 -6.562 -6.562 1152 2HB ALA 1 2HB ALA 1 -11.017 -5.582 -5.582 1153 3HB ALA 1 1HB ALA 1 -12.223 -4.977 -4.977 1154 H TYR 2 H TYR 2 -11.812 -4.961 -4.961 1155 HA TYR 2 HA TYR 2 -12.157 -6.423 -6.423 1156 1HB TYR 2 1HB TYR 2 -10.126 -4.937 -4.937 1157 2HB TYR 2 2HB TYR 2 -11.695 -4.211 -4.211 1158 HD1 TYR 2 HD1 TYR 2 -9.256 -5.334 -5.334 1159 HD2 TYR 2 HD2 TYR 2 -11.022 -2.023 -2.023 1160 HE1 TYR 2 HE1 TYR 2 -8.214 -3.797 -3.797 1161 HE2 TYR 2 HE2 TYR 2 -9.986 -0.483 -0.483 1162 HH TYR 2 HH2 TYR 2 -9.133 -0.637 -0.637 1163 H ILE 3 H ILE 3 -9.944 -6.769 -6.769 1164 HA ILE 3 HA ILE 3 -9.004 -9.239 -9.239 1165 HB ILE 3 HB ILE 3 -7.408 -7.102 -7.102 1166 1HG1 ILE 3 1HG1 ILE 3 -8.503 -8.736 -8.736 1167 2HG1 ILE 3 2HG1 ILE 3 -9.799 -8.646 -8.646 1168 1HG2 ILE 3 1HG2 ILE 3 -7.200 -10.105 -10.105 1169 2HG2 ILE 3 3HG2 ILE 3 -6.423 -9.080 -9.080 1170 3HG2 ILE 3 2HG2 ILE 3 -5.978 -8.933 -8.933 1171 1HD1 ILE 3 2HD1 ILE 3 -9.213 -6.060 -6.060 1172 2HD1 ILE 3 1HD1 ILE 3 -8.684 -6.552 -6.552 1173 3HD1 ILE 3 3HD1 ILE 3 -10.347 -6.847 -6.847 1174 H GLY 4 H GLY 4 -7.941 -6.229 -6.229 1175 1HA GLY 4 1HA GLY 4 -5.404 -6.884 -6.884 1176 2HA GLY 4 2HA GLY 4 -6.551 -5.873 -5.873 1177 HA PRO 5 HA PRO 5 -6.984 -9.038 -9.038 1178 1HB PRO 5 2HB PRO 5 -9.886 -8.400 -8.400 1179 2HB PRO 5 1HB PRO 5 -8.771 -8.355 -8.355 1180 1HG PRO 5 1HG PRO 5 -9.618 -6.092 -6.092 1181 2HG PRO 5 2HG PRO 5 -7.908 -6.267 -6.267 1182 1HD PRO 5 2HD PRO 5 -9.188 -6.555 -6.555 1183 2HD PRO 5 1HD PRO 5 -7.735 -5.636 -5.636 1184 1HN PTR 6 H PTR 6 -6.763 -11.056 -11.056 1185 HA PTR 6 HA PTR 6 -7.155 -12.936 -12.936 1186 1HB PTR 6 1HB PTR 6 -8.776 -13.256 -13.256 1187 2HB PTR 6 2HB PTR 6 -9.346 -13.966 -13.966 1188 HD1 PTR 6 HD1 PTR 6 -9.922 -11.298 -11.298 1189 HD2 PTR 6 HD2 PTR 6 -11.127 -12.556 -12.556 1190 HE1 PTR 6 HE1 PTR 6 -12.267 -10.821 -10.821 1191 HE2 PTR 6 HE2 PTR 6 -13.517 -12.325 -12.325 1192 H LEU 7 H LEU 7 -9.256 -13.784 -13.784 1193 HA LEU 7 HA LEU 7 -10.183 -13.579 -13.579 1194 1HB LEU 7 2HB LEU 7 -10.296 -10.892 -10.892 1195 2HB LEU 7 1HB LEU 7 -10.057 -10.864 -10.864 1196 HG LEU 7 HG LEU 7 -12.353 -12.061 -12.061 1197 1HD1 LEU 7 1HD1 LEU 7 -12.095 -9.902 -9.902 1198 2HD1 LEU 7 3HD1 LEU 7 -13.637 -10.592 -10.592 1199 3HD1 LEU 7 2HD1 LEU 7 -12.628 -9.736 -9.736 1200 1HD2 LEU 7 3HD2 LEU 7 -11.250 -12.858 -12.858 1201 2HD2 LEU 7 2HD2 LEU 7 -12.426 -13.672 -13.672 1202 3HD2 LEU 7 1HD2 LEU 7 -12.952 -12.403 -12.403 Start of MODEL 6 1 HA SER 64 HA SER 64 -19.214 9.349 9.349 2 1HB SER 64 2HB SER 64 -19.468 10.067 10.067 3 2HB SER 64 1HB SER 64 -20.146 8.584 8.584 4 HG SER 64 HG SER 64 -21.517 10.268 10.268 5 H LYS 65 H LYS 65 -17.298 10.322 10.322 6 HA LYS 65 HA LYS 65 -17.301 13.257 13.257 7 1HB LYS 65 2HB LYS 65 -14.857 11.551 11.551 8 2HB LYS 65 1HB LYS 65 -15.159 13.182 13.182 9 1HG LYS 65 2HG LYS 65 -17.097 11.895 11.895 10 2HG LYS 65 1HG LYS 65 -15.932 10.578 10.578 11 1HD LYS 65 2HD LYS 65 -14.271 11.759 11.759 12 2HD LYS 65 1HD LYS 65 -15.133 13.292 13.292 13 1HE LYS 65 1HE LYS 65 -16.730 11.281 11.281 14 2HE LYS 65 2HE LYS 65 -15.200 11.567 11.567 15 1HZ LYS 65 1HZ LYS 65 -16.638 13.940 13.940 16 2HZ LYS 65 3HZ LYS 65 -17.374 13.047 13.047 17 3HZ LYS 65 2HZ LYS 65 -15.802 13.638 13.638 18 HA PRO 66 HA PRO 66 -16.012 12.178 12.178 19 1HB PRO 66 1HB PRO 66 -17.762 13.787 13.787 20 2HB PRO 66 2HB PRO 66 -18.192 12.156 12.156 21 1HG PRO 66 1HG PRO 66 -18.788 14.789 14.789 22 2HG PRO 66 2HG PRO 66 -19.852 13.389 13.389 23 1HD PRO 66 1HD PRO 66 -18.584 13.931 13.931 24 2HD PRO 66 2HD PRO 66 -18.988 12.285 12.285 25 H HIS 67 H HIS 67 -14.426 13.712 13.712 26 HA HIS 67 HA HIS 67 -13.900 16.002 16.002 27 1HB HIS 67 1HB HIS 67 -15.164 16.809 16.809 28 2HB HIS 67 2HB HIS 67 -13.832 16.235 16.235 29 HD1 HIS 67 HD1 HIS 67 -13.035 17.915 17.915 30 HD2 HIS 67 HD2 HIS 67 -13.258 18.846 18.846 31 HE1 HIS 67 HE1 HIS 67 -11.919 20.168 20.168 32 H GLN 68 H GLN 68 -12.673 14.377 14.377 33 HA GLN 68 HA GLN 68 -9.970 14.508 14.508 34 1HB GLN 68 1HB GLN 68 -10.980 14.288 14.288 35 2HB GLN 68 2HB GLN 68 -9.322 13.870 13.870 36 1HG GLN 68 2HG GLN 68 -9.096 16.169 16.169 37 2HG GLN 68 1HG GLN 68 -10.666 16.542 16.542 38 1HE2 GLN 68 1HE2 GLN 68 -8.549 17.796 17.796 39 2HE2 GLN 68 2HE2 GLN 68 -9.327 18.211 18.211 40 H TRP 69 H TRP 69 -12.313 12.346 12.346 41 HA TRP 69 HA TRP 69 -10.765 10.002 10.002 42 1HB TRP 69 2HB TRP 69 -13.648 10.662 10.662 43 2HB TRP 69 1HB TRP 69 -13.264 9.020 9.020 44 HD1 TRP 69 HD1 TRP 69 -10.621 10.225 10.225 45 HE1 TRP 69 HE1 TRP 69 -10.964 9.280 9.280 46 HE3 TRP 69 HE3 TRP 69 -15.389 8.448 8.448 47 HZ2 TRP 69 2HZ TRP 69 -12.985 7.956 7.956 48 HZ3 TRP 69 HZ3 TRP 69 -16.454 7.356 7.356 49 HH2 TRP 69 HH2 TRP 69 -15.276 7.116 7.116 50 H GLN 70 H GLN 70 -13.026 11.352 11.352 51 HA GLN 70 HA GLN 70 -13.128 9.324 9.324 52 1HB GLN 70 1HB GLN 70 -13.780 10.945 10.945 53 2HB GLN 70 2HB GLN 70 -14.354 11.531 11.531 54 1HG GLN 70 1HG GLN 70 -12.705 13.190 13.190 55 2HG GLN 70 2HG GLN 70 -11.755 12.452 12.452 56 1HE2 GLN 70 2HE2 GLN 70 -13.116 14.950 14.950 57 2HE2 GLN 70 1HE2 GLN 70 -11.727 14.379 14.379 58 H ALA 71 H ALA 71 -10.563 11.648 11.648 59 HA ALA 71 HA ALA 71 -9.071 10.925 10.925 60 1HB ALA 71 1HB ALA 71 -8.476 12.605 12.605 61 2HB ALA 71 3HB ALA 71 -7.237 12.240 12.240 62 3HB ALA 71 2HB ALA 71 -8.698 13.110 13.110 63 H ASP 72 H ASP 72 -8.142 10.655 10.655 64 HA ASP 72 HA ASP 72 -6.021 8.965 8.965 65 1HB ASP 72 2HB ASP 72 -8.040 8.784 8.784 66 2HB ASP 72 1HB ASP 72 -6.343 8.315 8.315 67 H GLU 73 H GLU 73 -9.429 8.006 8.006 68 HA GLU 73 HA GLU 73 -9.176 5.272 5.272 69 1HB GLU 73 2HB GLU 73 -11.305 6.673 6.673 70 2HB GLU 73 1HB GLU 73 -11.246 6.632 6.632 71 1HG GLU 73 2HG GLU 73 -10.965 3.985 3.985 72 2HG GLU 73 1HG GLU 73 -12.424 4.770 4.770 73 H GLU 74 H GLU 74 -8.897 7.354 7.354 74 HA GLU 74 HA GLU 74 -8.559 5.095 5.095 75 1HB GLU 74 2HB GLU 74 -8.809 8.045 8.045 76 2HB GLU 74 1HB GLU 74 -7.938 7.177 7.177 77 1HG GLU 74 2HG GLU 74 -9.883 5.741 5.741 78 2HG GLU 74 1HG GLU 74 -10.755 6.619 6.619 79 H ALA 75 H ALA 75 -6.610 7.554 7.554 80 HA ALA 75 HA ALA 75 -4.222 7.325 7.325 81 1HB ALA 75 3HB ALA 75 -4.831 7.914 7.914 82 2HB ALA 75 2HB ALA 75 -3.171 7.863 7.863 83 3HB ALA 75 1HB ALA 75 -4.317 9.020 9.020 84 H VAL 76 H VAL 76 -5.085 5.559 5.559 85 HA VAL 76 HA VAL 76 -2.920 3.863 3.863 86 HB VAL 76 HB VAL 76 -4.364 2.353 2.353 87 1HG1 VAL 76 3HG2 VAL 76 -3.356 4.384 4.384 88 2HG1 VAL 76 2HG2 VAL 76 -4.871 5.233 5.233 89 3HG1 VAL 76 1HG2 VAL 76 -4.838 3.859 3.859 90 1HG2 VAL 76 2HG1 VAL 76 -6.479 3.915 3.915 91 2HG2 VAL 76 1HG1 VAL 76 -6.469 2.230 2.230 92 3HG2 VAL 76 3HG1 VAL 76 -6.753 3.512 3.512 93 H ARG 77 H ARG 77 -5.888 3.603 3.603 94 HA ARG 77 HA ARG 77 -5.724 0.975 0.975 95 1HB ARG 77 1HB ARG 77 -7.258 3.233 3.233 96 2HB ARG 77 2HB ARG 77 -6.530 2.736 2.736 97 1HG ARG 77 2HG ARG 77 -7.471 0.398 0.398 98 2HG ARG 77 1HG ARG 77 -8.750 1.608 1.608 99 1HD ARG 77 2HD ARG 77 -7.360 0.661 0.661 100 2HD ARG 77 1HD ARG 77 -9.034 0.362 0.362 101 HE ARG 77 HE ARG 77 -8.921 3.050 3.050 102 1HH1 ARG 77 2HH2 ARG 77 -7.939 0.584 0.584 103 2HH1 ARG 77 1HH2 ARG 77 -8.224 1.567 1.567 104 1HH2 ARG 77 1HH1 ARG 77 -9.300 4.352 4.352 105 2HH2 ARG 77 2HH1 ARG 77 -8.999 3.709 3.709 106 H SER 78 H SER 78 -4.266 3.884 3.884 107 HA SER 78 HA SER 78 -2.687 2.191 2.191 108 1HB SER 78 1HB SER 78 -3.966 4.601 4.601 109 2HB SER 78 2HB SER 78 -2.282 5.082 5.082 110 HG SER 78 HG SER 78 -2.929 2.920 2.920 111 H ALA 79 H ALA 79 -2.275 2.728 2.728 112 HA ALA 79 HA ALA 79 -0.545 3.016 3.016 113 1HB ALA 79 2HB ALA 79 0.990 2.242 2.242 114 2HB ALA 79 1HB ALA 79 1.698 2.353 2.353 115 3HB ALA 79 3HB ALA 79 0.421 1.179 1.179 116 H THR 80 H THR 80 -0.752 5.205 5.205 117 HA THR 80 HA THR 80 1.431 6.842 6.842 118 HB THR 80 HB THR 80 0.922 7.049 7.049 119 HG1 THR 80 1HG THR 80 -0.293 9.330 9.330 120 1HG2 THR 80 3HG2 THR 80 -1.840 6.937 6.937 121 2HG2 THR 80 2HG2 THR 80 -1.536 8.224 8.224 122 3HG2 THR 80 1HG2 THR 80 -1.119 6.558 6.558 123 H CYS 81 H CYS 81 -0.111 6.272 6.272 124 HA CYS 81 HA CYS 81 -1.439 8.848 8.848 125 1HB CYS 81 2HB CYS 81 -2.606 6.334 6.334 126 2HB CYS 81 1HB CYS 81 -2.214 6.673 6.673 127 HG CYS 81 HG CYS 81 -3.825 8.830 8.830 128 H SER 82 H SER 82 -1.194 9.721 9.721 129 HA SER 82 HA SER 82 0.617 8.492 8.492 130 1HB SER 82 2HB SER 82 1.477 11.170 11.170 131 2HB SER 82 1HB SER 82 2.407 10.018 10.018 132 HG SER 82 HG SER 82 3.147 9.664 9.664 133 H PHE 83 H PHE 83 0.478 9.382 9.382 134 HA PHE 83 HA PHE 83 -1.034 11.833 11.833 135 1HB PHE 83 2HB PHE 83 -2.521 10.732 10.732 136 2HB PHE 83 1HB PHE 83 -2.844 10.316 10.316 137 HD1 PHE 83 HD1 PHE 83 -0.771 9.162 9.162 138 HD2 PHE 83 HD2 PHE 83 -3.154 8.130 8.130 139 HE1 PHE 83 HE1 PHE 83 -0.500 6.774 6.774 140 HE2 PHE 83 HE2 PHE 83 -2.903 5.736 5.736 141 HZ PHE 83 HZ PHE 83 -1.570 5.055 5.055 142 H SER 84 H SER 84 -1.220 12.346 12.346 143 HA SER 84 HA SER 84 1.459 12.138 12.138 144 1HB SER 84 1HB SER 84 -0.610 13.443 13.443 145 2HB SER 84 2HB SER 84 0.972 14.038 14.038 146 HG SER 84 HG SER 84 -0.195 15.245 15.245 147 H VAL 85 H VAL 85 1.924 11.428 11.428 148 HA VAL 85 HA VAL 85 0.032 10.101 10.101 149 HB VAL 85 HB VAL 85 0.036 8.460 8.460 150 1HG1 VAL 85 1HG2 VAL 85 2.981 8.210 8.210 151 2HG1 VAL 85 3HG2 VAL 85 2.060 7.131 7.131 152 3HG1 VAL 85 2HG2 VAL 85 2.258 8.828 8.828 153 1HG2 VAL 85 2HG1 VAL 85 -0.249 7.785 7.785 154 2HG2 VAL 85 1HG1 VAL 85 0.364 6.507 6.507 155 3HG2 VAL 85 3HG1 VAL 85 1.467 7.364 7.364 156 H LYS 86 H LYS 86 1.013 8.968 8.968 157 HA LYS 86 HA LYS 86 3.776 9.866 9.866 158 1HB LYS 86 2HB LYS 86 1.413 9.649 9.649 159 2HB LYS 86 1HB LYS 86 3.065 9.817 9.817 160 1HG LYS 86 1HG LYS 86 2.531 11.830 11.830 161 2HG LYS 86 2HG LYS 86 1.272 11.849 11.849 162 1HD LYS 86 1HD LYS 86 3.360 11.653 11.653 163 2HD LYS 86 2HD LYS 86 4.187 12.391 12.391 164 1HE LYS 86 2HE LYS 86 1.851 13.866 13.866 165 2HE LYS 86 1HE LYS 86 2.381 13.574 13.574 166 1HZ LYS 86 1HZ LYS 86 4.532 14.337 14.337 167 2HZ LYS 86 3HZ LYS 86 3.320 15.516 15.516 168 3HZ LYS 86 2HZ LYS 86 4.069 14.982 14.982 169 H TYR 87 H TYR 87 4.370 7.775 7.775 170 HA TYR 87 HA TYR 87 3.660 5.281 5.281 171 1HB TYR 87 1HB TYR 87 5.351 6.184 6.184 172 2HB TYR 87 2HB TYR 87 6.468 5.475 5.475 173 HD1 TYR 87 HD1 TYR 87 3.577 4.769 4.769 174 HD2 TYR 87 HD2 TYR 87 6.621 3.115 3.115 175 HE1 TYR 87 HE1 TYR 87 3.066 2.530 2.530 176 HE2 TYR 87 HE2 TYR 87 6.118 0.871 0.871 177 HH TYR 87 HH2 TYR 87 3.343 0.126 0.126 178 H LEU 88 H LEU 88 3.828 4.528 4.528 179 HA LEU 88 HA LEU 88 5.490 5.641 5.641 180 1HB LEU 88 1HB LEU 88 3.675 3.327 3.327 181 2HB LEU 88 2HB LEU 88 4.921 3.190 3.190 182 HG LEU 88 HG LEU 88 4.144 5.315 5.315 183 1HD1 LEU 88 2HD2 LEU 88 2.957 5.766 5.766 184 2HD1 LEU 88 1HD2 LEU 88 1.585 5.295 5.295 185 3HD1 LEU 88 3HD2 LEU 88 2.608 6.648 6.648 186 1HD2 LEU 88 2HD1 LEU 88 2.280 2.992 2.992 187 2HD2 LEU 88 1HD1 LEU 88 3.281 3.455 3.455 188 3HD2 LEU 88 3HD1 LEU 88 1.838 4.388 4.388 189 H GLY 89 H GLY 89 5.851 2.867 2.867 190 1HA GLY 89 2HA GLY 89 8.406 2.707 2.707 191 2HA GLY 89 1HA GLY 89 8.460 2.259 2.259 192 H CYS 90 H CYS 90 8.826 0.147 0.147 193 HA CYS 90 HA CYS 90 6.936 -1.741 -1.741 194 1HB CYS 90 1HB CYS 90 8.610 -2.992 -2.992 195 2HB CYS 90 2HB CYS 90 7.835 -1.564 -1.564 196 HG CYS 90 HG CYS 90 10.078 -0.738 -0.738 197 H VAL 91 H VAL 91 6.961 -3.314 -3.314 198 HA VAL 91 HA VAL 91 9.485 -3.872 -3.872 199 HB VAL 91 HB VAL 91 8.121 -4.579 -4.579 200 1HG1 VAL 91 3HG1 VAL 91 8.421 -1.895 -1.895 201 2HG1 VAL 91 2HG1 VAL 91 6.989 -2.027 -2.027 202 3HG1 VAL 91 1HG1 VAL 91 8.567 -2.500 -2.500 203 1HG2 VAL 91 2HG2 VAL 91 5.978 -4.225 -4.225 204 2HG2 VAL 91 1HG2 VAL 91 6.004 -5.138 -5.138 205 3HG2 VAL 91 3HG2 VAL 91 5.660 -3.409 -3.409 206 H GLU 92 H GLU 92 10.262 -5.883 -5.883 207 HA GLU 92 HA GLU 92 9.236 -7.836 -7.836 208 1HB GLU 92 1HB GLU 92 10.810 -9.389 -9.389 209 2HB GLU 92 2HB GLU 92 11.532 -7.970 -7.970 210 1HG GLU 92 1HG GLU 92 10.818 -7.162 -7.162 211 2HG GLU 92 2HG GLU 92 11.500 -8.778 -8.778 212 H VAL 93 H VAL 93 8.366 -9.940 -9.940 213 HA VAL 93 HA VAL 93 7.161 -10.350 -10.350 214 HB VAL 93 HB VAL 93 4.905 -10.769 -10.769 215 1HG1 VAL 93 1HG1 VAL 93 5.824 -8.538 -8.538 216 2HG1 VAL 93 3HG1 VAL 93 5.560 -7.926 -7.926 217 3HG1 VAL 93 2HG1 VAL 93 4.215 -8.608 -8.608 218 1HG2 VAL 93 3HG2 VAL 93 5.828 -10.970 -10.970 219 2HG2 VAL 93 2HG2 VAL 93 4.322 -10.073 -10.073 220 3HG2 VAL 93 1HG2 VAL 93 5.841 -9.207 -9.207 221 H PHE 94 H PHE 94 5.728 -12.460 -12.460 222 HA PHE 94 HA PHE 94 7.468 -14.469 -14.469 223 1HB PHE 94 2HB PHE 94 5.491 -14.452 -14.452 224 2HB PHE 94 1HB PHE 94 5.765 -15.972 -15.972 225 HD1 PHE 94 HD2 PHE 94 8.432 -13.496 -13.496 226 HD2 PHE 94 HD1 PHE 94 6.680 -17.063 -17.063 227 HE1 PHE 94 HE2 PHE 94 10.439 -13.894 -13.894 228 HE2 PHE 94 HE1 PHE 94 8.682 -17.467 -17.467 229 HZ PHE 94 HZ PHE 94 10.566 -15.882 -15.882 230 H GLU 95 H GLU 95 4.565 -12.890 -12.890 231 HA GLU 95 HA GLU 95 3.892 -14.989 -14.989 232 1HB GLU 95 1HB GLU 95 2.160 -13.792 -13.792 233 2HB GLU 95 2HB GLU 95 1.449 -13.910 -13.910 234 1HG GLU 95 2HG GLU 95 2.690 -16.222 -16.222 235 2HG GLU 95 1HG GLU 95 0.967 -15.840 -15.840 236 H SER 96 H SER 96 3.452 -14.286 -14.286 237 HA SER 96 HA SER 96 3.620 -11.392 -11.392 238 1HB SER 96 1HB SER 96 3.904 -12.274 -12.274 239 2HB SER 96 2HB SER 96 5.258 -12.354 -12.354 240 HG SER 96 HG SER 96 5.216 -14.378 -14.378 241 H ARG 97 H ARG 97 1.196 -12.983 -12.983 242 HA ARG 97 HA ARG 97 -0.602 -11.836 -11.836 243 1HB ARG 97 1HB ARG 97 0.005 -14.443 -14.443 244 2HB ARG 97 2HB ARG 97 -1.305 -14.587 -14.587 245 1HG ARG 97 1HG ARG 97 -2.623 -14.592 -14.592 246 2HG ARG 97 2HG ARG 97 -2.367 -12.847 -12.847 247 1HD ARG 97 2HD ARG 97 -1.956 -13.642 -13.642 248 2HD ARG 97 1HD ARG 97 -0.407 -13.197 -13.197 249 HE ARG 97 HE ARG 97 0.241 -15.399 -15.399 250 1HH1 ARG 97 2HH1 ARG 97 -3.177 -15.161 -15.161 251 2HH1 ARG 97 1HH1 ARG 97 -3.333 -16.812 -16.812 252 1HH2 ARG 97 2HH2 ARG 97 0.048 -17.575 -17.575 253 2HH2 ARG 97 1HH2 ARG 97 -1.500 -18.185 -18.185 254 H GLY 98 H GLY 98 -2.983 -12.836 -12.836 255 1HA GLY 98 1HA GLY 98 -4.533 -12.680 -12.680 256 2HA GLY 98 2HA GLY 98 -3.208 -12.810 -12.810 257 H MET 99 H MET 99 -5.559 -10.790 -10.790 258 HA MET 99 HA MET 99 -4.485 -8.257 -8.257 259 1HB MET 99 2HB MET 99 -6.917 -9.097 -9.097 260 2HB MET 99 1HB MET 99 -7.175 -8.749 -8.749 261 1HG MET 99 1HG MET 99 -5.921 -6.481 -6.481 262 2HG MET 99 2HG MET 99 -7.016 -6.951 -6.951 263 1HE MET 99 3HE MET 99 -6.723 -4.480 -4.480 264 2HE MET 99 2HE MET 99 -8.108 -4.362 -4.362 265 3HE MET 99 1HE MET 99 -6.788 -5.469 -5.469 266 H GLN 100 H GLN 100 -5.189 -10.357 -10.357 267 HA GLN 100 HA GLN 100 -5.242 -8.477 -8.477 268 1HB GLN 100 1HB GLN 100 -4.191 -11.308 -11.308 269 2HB GLN 100 2HB GLN 100 -4.802 -10.339 -10.339 270 1HG GLN 100 2HG GLN 100 -6.966 -10.270 -10.270 271 2HG GLN 100 1HG GLN 100 -6.271 -11.767 -11.767 272 1HE2 GLN 100 2HE2 GLN 100 -7.287 -11.632 -11.632 273 2HE2 GLN 100 1HE2 GLN 100 -6.652 -10.232 -10.232 274 H VAL 101 H VAL 101 -2.539 -10.293 -10.293 275 HA VAL 101 HA VAL 101 -0.497 -9.526 -9.526 276 HB VAL 101 HB VAL 101 -0.243 -9.777 -9.777 277 1HG1 VAL 101 3HG1 VAL 101 1.642 -8.959 -8.959 278 2HG1 VAL 101 2HG1 VAL 101 1.907 -10.704 -10.704 279 3HG1 VAL 101 1HG1 VAL 101 1.991 -9.804 -9.804 280 1HG2 VAL 101 1HG2 VAL 101 -0.430 -11.843 -11.843 281 2HG2 VAL 101 3HG2 VAL 101 -1.278 -11.769 -11.769 282 3HG2 VAL 101 2HG2 VAL 101 0.439 -12.170 -12.170 283 H CYS 102 H CYS 102 -2.079 -7.695 -7.695 284 HA CYS 102 HA CYS 102 -0.162 -5.573 -5.573 285 1HB CYS 102 1HB CYS 102 -2.709 -6.200 -6.200 286 2HB CYS 102 2HB CYS 102 -2.500 -4.484 -4.484 287 HG CYS 102 HG CYS 102 -0.245 -5.916 -5.916 288 H GLU 103 H GLU 103 -3.299 -6.077 -6.077 289 HA GLU 103 HA GLU 103 -3.657 -3.550 -3.550 290 1HB GLU 103 2HB GLU 103 -4.640 -6.268 -6.268 291 2HB GLU 103 1HB GLU 103 -4.653 -5.200 -5.200 292 1HG GLU 103 1HG GLU 103 -5.772 -3.558 -3.558 293 2HG GLU 103 2HG GLU 103 -6.245 -5.096 -5.096 294 H GLU 104 H GLU 104 -1.890 -6.348 -6.348 295 HA GLU 104 HA GLU 104 -1.033 -4.975 -4.975 296 1HB GLU 104 1HB GLU 104 0.309 -6.959 -6.959 297 2HB GLU 104 2HB GLU 104 -1.313 -7.427 -7.427 298 1HG GLU 104 1HG GLU 104 -0.412 -7.747 -7.747 299 2HG GLU 104 2HG GLU 104 1.201 -7.521 -7.521 300 H ALA 105 H ALA 105 0.334 -5.703 -5.703 301 HA ALA 105 HA ALA 105 2.979 -4.951 -4.951 302 1HB ALA 105 1HB ALA 105 1.218 -4.808 -4.808 303 2HB ALA 105 3HB ALA 105 2.913 -4.319 -4.319 304 3HB ALA 105 2HB ALA 105 2.483 -5.978 -5.978 305 H LEU 106 H LEU 106 0.168 -2.982 -2.982 306 HA LEU 106 HA LEU 106 1.447 -0.519 -0.519 307 1HB LEU 106 1HB LEU 106 -0.924 -1.028 -1.028 308 2HB LEU 106 2HB LEU 106 -1.314 -1.017 -1.017 309 HG LEU 106 HG LEU 106 -0.393 1.393 1.393 310 1HD1 LEU 106 3HD2 LEU 106 -0.865 0.964 0.964 311 2HD1 LEU 106 2HD2 LEU 106 -0.623 2.530 2.530 312 3HD1 LEU 106 1HD2 LEU 106 0.675 1.335 1.335 313 1HD2 LEU 106 1HD1 LEU 106 -2.814 0.572 0.572 314 2HD2 LEU 106 3HD1 LEU 106 -2.535 2.241 2.241 315 3HD2 LEU 106 2HD1 LEU 106 -2.910 1.009 1.009 316 H LYS 107 H LYS 107 0.159 -2.119 -2.119 317 HA LYS 107 HA LYS 107 0.576 -0.045 -0.045 318 1HB LYS 107 2HB LYS 107 -0.783 -1.846 -1.846 319 2HB LYS 107 1HB LYS 107 0.421 -3.042 -3.042 320 1HG LYS 107 2HG LYS 107 1.107 -1.092 -1.092 321 2HG LYS 107 1HG LYS 107 -0.015 -2.402 -2.402 322 1HD LYS 107 2HD LYS 107 2.380 -3.248 -3.248 323 2HD LYS 107 1HD LYS 107 2.704 -2.586 -2.586 324 1HE LYS 107 2HE LYS 107 2.399 -4.903 -4.903 325 2HE LYS 107 1HE LYS 107 0.904 -4.144 -4.144 326 1HZ LYS 107 1HZ LYS 107 -0.097 -4.685 -4.685 327 2HZ LYS 107 3HZ LYS 107 1.333 -5.443 -5.443 328 3HZ LYS 107 2HZ LYS 107 0.441 -6.079 -6.079 329 H VAL 108 H VAL 108 2.673 -2.664 -2.664 330 HA VAL 108 HA VAL 108 4.815 -2.128 -2.128 331 HB VAL 108 HB VAL 108 5.257 -3.308 -3.308 332 1HG1 VAL 108 3HG1 VAL 108 6.403 -3.763 -3.763 333 2HG1 VAL 108 2HG1 VAL 108 6.767 -4.783 -4.783 334 3HG1 VAL 108 1HG1 VAL 108 7.213 -3.076 -3.076 335 1HG2 VAL 108 2HG2 VAL 108 3.575 -4.405 -4.405 336 2HG2 VAL 108 1HG2 VAL 108 3.457 -4.630 -4.630 337 3HG2 VAL 108 3HG2 VAL 108 4.672 -5.515 -5.515 338 H LEU 109 H LEU 109 4.065 -1.019 -1.019 339 HA LEU 109 HA LEU 109 6.430 0.234 0.234 340 1HB LEU 109 1HB LEU 109 3.591 0.571 0.571 341 2HB LEU 109 2HB LEU 109 4.611 1.962 1.962 342 HG LEU 109 HG LEU 109 4.573 0.726 0.726 343 1HD1 LEU 109 3HD2 LEU 109 6.933 1.178 1.178 344 2HD1 LEU 109 2HD2 LEU 109 7.084 -0.491 -0.491 345 3HD1 LEU 109 1HD2 LEU 109 6.769 0.795 0.795 346 1HD2 LEU 109 1HD1 LEU 109 4.904 -1.660 -1.660 347 2HD2 LEU 109 3HD1 LEU 109 3.681 -1.346 -1.346 348 3HD2 LEU 109 2HD1 LEU 109 5.334 -1.733 -1.733 349 H ARG 110 H ARG 110 4.115 1.145 1.145 350 HA ARG 110 HA ARG 110 5.187 3.847 3.847 351 1HB ARG 110 2HB ARG 110 2.693 2.599 2.599 352 2HB ARG 110 1HB ARG 110 3.340 3.281 3.281 353 1HG ARG 110 1HG ARG 110 3.731 5.396 5.396 354 2HG ARG 110 2HG ARG 110 2.507 4.653 4.653 355 1HD ARG 110 2HD ARG 110 1.385 6.130 6.130 356 2HD ARG 110 1HD ARG 110 1.032 4.480 4.480 357 HE ARG 110 HE ARG 110 3.204 5.210 5.210 358 1HH1 ARG 110 2HH1 ARG 110 0.019 6.520 6.520 359 2HH1 ARG 110 1HH1 ARG 110 -0.088 7.226 7.226 360 1HH2 ARG 110 1HH2 ARG 110 3.075 6.133 6.133 361 2HH2 ARG 110 2HH2 ARG 110 1.650 7.004 7.004 362 H GLN 111 H GLN 111 4.782 0.991 0.991 363 HA GLN 111 HA GLN 111 6.174 2.069 2.069 364 1HB GLN 111 2HB GLN 111 6.200 -0.195 -0.195 365 2HB GLN 111 1HB GLN 111 4.631 0.156 0.156 366 1HG GLN 111 2HG GLN 111 4.805 -1.668 -1.668 367 2HG GLN 111 1HG GLN 111 6.203 -0.968 -0.968 368 1HE2 GLN 111 2HE2 GLN 111 6.620 -4.070 -4.070 369 2HE2 GLN 111 1HE2 GLN 111 5.089 -3.401 -3.401 370 H SER 112 H SER 112 7.279 0.657 0.657 371 HA SER 112 HA SER 112 9.920 0.068 0.068 372 1HB SER 112 1HB SER 112 8.405 -0.894 -0.894 373 2HB SER 112 2HB SER 112 9.751 -0.029 -0.029 374 HG SER 112 HG SER 112 10.964 -1.641 -1.641 375 H ARG 113 H ARG 113 11.844 0.878 0.878 376 HA ARG 113 HA ARG 113 12.051 3.645 3.645 377 1HB ARG 113 2HB ARG 113 14.143 3.300 3.300 378 2HB ARG 113 1HB ARG 113 14.062 2.414 2.414 379 1HG ARG 113 2HG ARG 113 14.414 0.530 0.530 380 2HG ARG 113 1HG ARG 113 12.907 0.773 0.773 381 1HD ARG 113 2HD ARG 113 14.362 0.681 0.681 382 2HD ARG 113 1HD ARG 113 14.414 2.411 2.411 383 HE ARG 113 HE ARG 113 16.400 0.885 0.885 384 1HH1 ARG 113 1HH1 ARG 113 15.634 2.571 2.571 385 2HH1 ARG 113 2HH1 ARG 113 17.289 2.863 2.863 386 1HH2 ARG 113 2HH2 ARG 113 18.584 1.263 1.263 387 2HH2 ARG 113 1HH2 ARG 113 18.966 2.119 2.119 388 H ARG 114 H ARG 114 10.782 1.670 1.670 389 HA ARG 114 HA ARG 114 11.154 2.970 2.970 390 1HB ARG 114 2HB ARG 114 8.566 1.876 1.876 391 2HB ARG 114 1HB ARG 114 8.787 2.334 2.334 392 1HG ARG 114 2HG ARG 114 10.557 0.318 0.318 393 2HG ARG 114 1HG ARG 114 9.025 -0.129 -0.129 394 1HD ARG 114 1HD ARG 114 10.258 -0.386 -0.386 395 2HD ARG 114 2HD ARG 114 10.175 1.371 1.371 396 HE ARG 114 HE ARG 114 12.361 0.619 0.619 397 1HH1 ARG 114 1HH2 ARG 114 11.314 0.620 0.620 398 2HH1 ARG 114 2HH2 ARG 114 12.920 0.718 0.718 399 1HH2 ARG 114 2HH1 ARG 114 14.480 0.748 0.748 400 2HH2 ARG 114 1HH1 ARG 114 14.720 0.790 0.790 401 H ARG 115 H ARG 115 11.115 5.057 5.057 402 HA ARG 115 HA ARG 115 9.217 6.820 6.820 403 1HB ARG 115 1HB ARG 115 10.657 8.649 8.649 404 2HB ARG 115 2HB ARG 115 11.652 7.366 7.366 405 1HG ARG 115 2HG ARG 115 11.623 6.889 6.889 406 2HG ARG 115 1HG ARG 115 11.793 8.638 8.638 407 1HD ARG 115 2HD ARG 115 13.479 7.382 7.382 408 2HD ARG 115 1HD ARG 115 13.763 6.628 6.628 409 HE ARG 115 HE ARG 115 13.752 9.357 9.357 410 1HH1 ARG 115 1HH1 ARG 115 15.609 7.066 7.066 411 2HH1 ARG 115 2HH1 ARG 115 17.072 7.990 7.990 412 1HH2 ARG 115 2HH2 ARG 115 15.672 10.581 10.581 413 2HH2 ARG 115 1HH2 ARG 115 17.108 9.989 9.989 414 HA PRO 116 HA PRO 116 6.647 7.173 7.173 415 1HB PRO 116 2HB PRO 116 6.278 9.992 9.992 416 2HB PRO 116 1HB PRO 116 5.070 8.735 8.735 417 1HG PRO 116 1HG PRO 116 5.698 9.506 9.506 418 2HG PRO 116 2HG PRO 116 5.351 7.807 7.807 419 1HD PRO 116 1HD PRO 116 7.979 9.152 9.152 420 2HD PRO 116 2HD PRO 116 7.435 7.534 7.534 421 H VAL 117 H VAL 117 6.572 8.122 8.122 422 HA VAL 117 HA VAL 117 8.890 9.815 9.815 423 HB VAL 117 HB VAL 117 8.694 7.459 7.459 424 1HG1 VAL 117 1HG2 VAL 117 6.231 7.962 7.962 425 2HG1 VAL 117 3HG2 VAL 117 6.942 8.768 8.768 426 3HG1 VAL 117 2HG2 VAL 117 7.249 7.056 7.056 427 1HG2 VAL 117 2HG1 VAL 117 9.861 9.802 9.802 428 2HG2 VAL 117 1HG1 VAL 117 10.181 8.193 8.193 429 3HG2 VAL 117 3HG1 VAL 117 9.003 9.242 9.242 430 H ARG 118 H ARG 118 8.468 11.156 11.156 431 HA ARG 118 HA ARG 118 5.702 12.110 12.110 432 1HB ARG 118 2HB ARG 118 7.034 13.556 13.556 433 2HB ARG 118 1HB ARG 118 8.068 13.977 13.977 434 1HG ARG 118 2HG ARG 118 5.603 14.524 14.524 435 2HG ARG 118 1HG ARG 118 5.392 14.930 14.930 436 1HD ARG 118 1HD ARG 118 7.117 16.523 16.523 437 2HD ARG 118 2HD ARG 118 7.743 15.914 15.914 438 HE ARG 118 HE ARG 118 6.280 17.290 17.290 439 1HH1 ARG 118 1HH1 ARG 118 5.135 16.777 16.777 440 2HH1 ARG 118 2HH1 ARG 118 3.820 17.896 17.896 441 1HH2 ARG 118 1HH2 ARG 118 4.554 18.766 18.766 442 2HH2 ARG 118 2HH2 ARG 118 3.491 19.027 19.027 443 H GLY 119 H GLY 119 5.536 11.099 11.099 444 1HA GLY 119 2HA GLY 119 6.702 12.662 12.662 445 2HA GLY 119 1HA GLY 119 7.144 10.963 10.963 446 H LEU 120 H LEU 120 6.153 10.561 10.561 447 HA LEU 120 HA LEU 120 3.206 10.597 10.597 448 1HB LEU 120 2HB LEU 120 5.077 11.055 11.055 449 2HB LEU 120 1HB LEU 120 3.375 10.699 10.699 450 HG LEU 120 HG LEU 120 4.124 13.006 13.006 451 1HD1 LEU 120 2HD1 LEU 120 4.314 12.922 12.922 452 2HD1 LEU 120 1HD1 LEU 120 4.079 14.418 14.418 453 3HD1 LEU 120 3HD1 LEU 120 5.535 13.455 13.455 454 1HD2 LEU 120 3HD2 LEU 120 1.812 12.053 12.053 455 2HD2 LEU 120 2HD2 LEU 120 1.863 12.894 12.894 456 3HD2 LEU 120 1HD2 LEU 120 2.070 13.797 13.797 457 H LEU 121 H LEU 121 2.119 8.881 8.881 458 HA LEU 121 HA LEU 121 3.709 6.423 6.423 459 1HB LEU 121 1HB LEU 121 1.393 6.852 6.852 460 2HB LEU 121 2HB LEU 121 0.773 6.238 6.238 461 HG LEU 121 HG LEU 121 2.755 4.828 4.828 462 1HD1 LEU 121 3HD2 LEU 121 0.283 5.026 5.026 463 2HD1 LEU 121 2HD2 LEU 121 -0.024 3.916 3.916 464 3HD1 LEU 121 1HD2 LEU 121 1.030 3.430 3.430 465 1HD2 LEU 121 1HD1 LEU 121 2.604 4.548 4.548 466 2HD2 LEU 121 3HD1 LEU 121 3.051 3.250 3.250 467 3HD2 LEU 121 2HD1 LEU 121 1.390 3.376 3.376 468 H HIS 122 H HIS 122 4.387 6.168 6.168 469 HA HIS 122 HA HIS 122 3.063 7.317 7.317 470 1HB HIS 122 2HB HIS 122 5.412 5.475 5.475 471 2HB HIS 122 1HB HIS 122 4.763 5.806 5.806 472 HD1 HIS 122 HD1 HIS 122 5.394 8.036 8.036 473 HD2 HIS 122 HD2 HIS 122 6.503 7.747 7.747 474 HE1 HIS 122 HE1 HIS 122 6.855 10.045 10.045 475 H VAL 123 H VAL 123 0.994 6.141 6.141 476 HA VAL 123 HA VAL 123 0.677 3.388 3.388 477 HB VAL 123 HB VAL 123 -1.370 5.599 5.599 478 1HG1 VAL 123 3HG1 VAL 123 -1.655 2.822 2.822 479 2HG1 VAL 123 2HG1 VAL 123 -2.684 3.247 3.247 480 3HG1 VAL 123 1HG1 VAL 123 -2.786 4.168 4.168 481 1HG2 VAL 123 2HG2 VAL 123 -0.146 3.670 3.670 482 2HG2 VAL 123 1HG2 VAL 123 -0.528 5.379 5.379 483 3HG2 VAL 123 3HG2 VAL 123 -1.818 4.176 4.176 484 H SER 124 H SER 124 1.065 2.621 2.621 485 HA SER 124 HA SER 124 -0.301 3.922 3.922 486 1HB SER 124 1HB SER 124 2.398 2.627 2.627 487 2HB SER 124 2HB SER 124 1.582 3.769 3.769 488 HG SER 124 HG SER 124 2.804 4.276 4.276 489 H GLY 125 H GLY 125 -1.075 1.664 1.664 490 1HA GLY 125 2HA GLY 125 -1.799 -0.509 -0.509 491 2HA GLY 125 1HA GLY 125 -2.111 -0.071 -0.071 492 H ASP 126 H ASP 126 1.100 -0.077 -0.077 493 HA ASP 126 HA ASP 126 1.694 -2.653 -2.653 494 1HB ASP 126 1HB ASP 126 2.150 -0.664 -0.664 495 2HB ASP 126 2HB ASP 126 3.484 -0.282 -0.282 496 H GLY 127 H GLY 127 2.894 0.041 0.041 497 1HA GLY 127 2HA GLY 127 3.989 -1.849 -1.849 498 2HA GLY 127 1HA GLY 127 5.202 -0.915 -0.915 499 H LEU 128 H LEU 128 3.590 -1.076 -1.076 500 HA LEU 128 HA LEU 128 2.886 1.656 1.656 501 1HB LEU 128 2HB LEU 128 3.196 -0.785 -0.785 502 2HB LEU 128 1HB LEU 128 3.089 0.782 0.782 503 HG LEU 128 HG LEU 128 0.863 0.958 0.958 504 1HD1 LEU 128 2HD2 LEU 128 1.354 -0.349 -0.349 505 2HD1 LEU 128 1HD2 LEU 128 -0.277 -0.119 -0.119 506 3HD1 LEU 128 3HD2 LEU 128 0.762 1.276 1.276 507 1HD2 LEU 128 2HD1 LEU 128 1.665 -1.744 -1.744 508 2HD2 LEU 128 1HD1 LEU 128 0.213 -0.929 -0.929 509 3HD2 LEU 128 3HD1 LEU 128 0.211 -1.714 -1.714 510 H ARG 129 H ARG 129 4.806 2.739 2.739 511 HA ARG 129 HA ARG 129 7.193 2.348 2.348 512 1HB ARG 129 1HB ARG 129 6.834 4.191 4.191 513 2HB ARG 129 2HB ARG 129 8.350 3.688 3.688 514 1HG ARG 129 1HG ARG 129 7.630 1.304 1.304 515 2HG ARG 129 2HG ARG 129 6.469 2.102 2.102 516 1HD ARG 129 1HD ARG 129 8.385 3.378 3.378 517 2HD ARG 129 2HD ARG 129 9.471 2.357 2.357 518 HE ARG 129 HE ARG 129 9.091 0.638 0.638 519 1HH1 ARG 129 1HH1 ARG 129 6.748 3.159 3.159 520 2HH1 ARG 129 2HH1 ARG 129 6.133 2.458 2.458 521 1HH2 ARG 129 1HH2 ARG 129 8.289 -0.293 -0.293 522 2HH2 ARG 129 2HH2 ARG 129 7.010 0.496 0.496 523 H VAL 130 H VAL 130 6.294 3.231 3.231 524 HA VAL 130 HA VAL 130 5.426 5.961 5.961 525 HB VAL 130 HB VAL 130 4.538 4.563 4.563 526 1HG1 VAL 130 2HG2 VAL 130 7.349 3.632 3.632 527 2HG1 VAL 130 1HG2 VAL 130 6.213 3.486 3.486 528 3HG1 VAL 130 3HG2 VAL 130 5.865 2.698 2.698 529 1HG2 VAL 130 1HG1 VAL 130 5.743 6.885 6.885 530 2HG2 VAL 130 3HG1 VAL 130 4.784 5.914 5.914 531 3HG2 VAL 130 2HG1 VAL 130 6.545 5.778 5.778 532 H VAL 131 H VAL 131 7.089 7.151 7.151 533 HA VAL 131 HA VAL 131 9.790 6.995 6.995 534 HB VAL 131 HB VAL 131 8.471 9.092 9.092 535 1HG1 VAL 131 1HG1 VAL 131 11.316 8.621 8.621 536 2HG1 VAL 131 3HG1 VAL 131 10.928 9.406 9.406 537 3HG1 VAL 131 2HG1 VAL 131 10.395 10.125 10.125 538 1HG2 VAL 131 3HG2 VAL 131 9.422 6.400 6.400 539 2HG2 VAL 131 2HG2 VAL 131 8.429 7.467 7.467 540 3HG2 VAL 131 1HG2 VAL 131 10.186 7.610 7.610 541 H ASP 132 H ASP 132 10.953 8.731 8.731 542 HA ASP 132 HA ASP 132 9.313 10.170 10.170 543 1HB ASP 132 1HB ASP 132 12.023 10.513 10.513 544 2HB ASP 132 2HB ASP 132 10.856 9.476 9.476 545 H ASP 133 H ASP 133 8.991 12.283 12.283 546 HA ASP 133 HA ASP 133 10.308 13.721 13.721 547 1HB ASP 133 1HB ASP 133 8.185 14.419 14.419 548 2HB ASP 133 2HB ASP 133 8.920 15.667 15.667 549 H GLU 134 H GLU 134 11.391 12.971 12.971 550 HA GLU 134 HA GLU 134 12.715 15.560 15.560 551 1HB GLU 134 1HB GLU 134 11.434 14.470 14.470 552 2HB GLU 134 2HB GLU 134 12.705 13.254 13.254 553 1HG GLU 134 2HG GLU 134 14.359 14.968 14.968 554 2HG GLU 134 1HG GLU 134 13.111 16.211 16.211 555 H THR 135 H THR 135 13.265 12.163 12.163 556 HA THR 135 HA THR 135 16.140 12.728 12.728 557 HB THR 135 HB THR 135 16.550 10.351 10.351 558 HG1 THR 135 1HG THR 135 14.939 9.033 9.033 559 1HG2 THR 135 3HG2 THR 135 15.579 12.284 12.284 560 2HG2 THR 135 2HG2 THR 135 15.171 10.647 10.647 561 3HG2 THR 135 1HG2 THR 135 16.849 11.073 11.073 562 H LYS 136 H LYS 136 13.324 11.050 11.050 563 HA LYS 136 HA LYS 136 12.799 10.351 10.351 564 1HB LYS 136 2HB LYS 136 14.334 12.588 12.588 565 2HB LYS 136 1HB LYS 136 15.205 11.375 11.375 566 1HG LYS 136 1HG LYS 136 13.760 12.174 12.174 567 2HG LYS 136 2HG LYS 136 12.825 10.822 10.822 568 1HD LYS 136 2HD LYS 136 11.492 12.268 12.268 569 2HD LYS 136 1HD LYS 136 12.553 13.641 13.641 570 1HE LYS 136 2HE LYS 136 11.373 14.176 14.176 571 2HE LYS 136 1HE LYS 136 11.650 12.575 12.575 572 1HZ LYS 136 3HZ LYS 136 9.700 12.382 12.382 573 2HZ LYS 136 2HZ LYS 136 9.261 13.634 13.634 574 3HZ LYS 136 1HZ LYS 136 9.538 12.078 12.078 575 H GLY 137 H GLY 137 14.072 8.567 8.567 576 1HA GLY 137 1HA GLY 137 15.973 7.186 7.186 577 2HA GLY 137 2HA GLY 137 15.896 6.972 6.972 578 H LEU 138 H LEU 138 12.915 7.149 7.149 579 HA LEU 138 HA LEU 138 11.176 5.683 5.683 580 1HB LEU 138 1HB LEU 138 12.107 5.241 5.241 581 2HB LEU 138 2HB LEU 138 13.419 4.310 4.310 582 HG LEU 138 HG LEU 138 11.996 2.452 2.452 583 1HD1 LEU 138 2HD1 LEU 138 9.689 4.269 4.269 584 2HD1 LEU 138 1HD1 LEU 138 9.563 2.538 2.538 585 3HD1 LEU 138 3HD1 LEU 138 10.088 3.637 3.637 586 1HD2 LEU 138 1HD2 LEU 138 12.671 2.851 2.851 587 2HD2 LEU 138 3HD2 LEU 138 11.235 1.848 1.848 588 3HD2 LEU 138 2HD2 LEU 138 11.068 3.538 3.538 589 H ILE 139 H ILE 139 10.427 4.899 4.899 590 HA ILE 139 HA ILE 139 11.931 3.239 3.239 591 HB ILE 139 HB ILE 139 8.952 3.685 3.685 592 1HG1 ILE 139 2HG1 ILE 139 11.151 5.336 5.336 593 2HG1 ILE 139 1HG1 ILE 139 10.225 5.818 5.818 594 1HG2 ILE 139 3HG2 ILE 139 10.977 2.855 2.855 595 2HG2 ILE 139 2HG2 ILE 139 9.346 3.394 3.394 596 3HG2 ILE 139 1HG2 ILE 139 9.581 1.946 1.946 597 1HD1 ILE 139 2HD1 ILE 139 8.169 5.585 5.585 598 2HD1 ILE 139 1HD1 ILE 139 9.302 5.548 5.548 599 3HD1 ILE 139 3HD1 ILE 139 9.242 6.957 6.957 600 H VAL 140 H VAL 140 8.889 2.517 2.517 601 HA VAL 140 HA VAL 140 9.620 -0.325 -0.325 602 HB VAL 140 HB VAL 140 6.916 0.839 0.839 603 1HG1 VAL 140 3HG1 VAL 140 7.620 -1.526 -1.526 604 2HG1 VAL 140 2HG1 VAL 140 7.466 -1.953 -1.953 605 3HG1 VAL 140 1HG1 VAL 140 6.073 -1.324 -1.324 606 1HG2 VAL 140 2HG2 VAL 140 7.749 1.323 1.323 607 2HG2 VAL 140 1HG2 VAL 140 6.239 0.417 0.417 608 3HG2 VAL 140 3HG2 VAL 140 7.747 -0.419 -0.419 609 H ASP 141 H ASP 141 10.916 -0.657 -0.657 610 HA ASP 141 HA ASP 141 9.942 0.185 0.185 611 1HB ASP 141 2HB ASP 141 12.299 0.697 0.697 612 2HB ASP 141 1HB ASP 141 12.613 -1.033 -1.033 613 H GLN 142 H GLN 142 8.213 -1.494 -1.494 614 HA GLN 142 HA GLN 142 9.163 -4.032 -4.032 615 1HB GLN 142 1HB GLN 142 8.189 -3.731 -3.731 616 2HB GLN 142 2HB GLN 142 6.881 -4.473 -4.473 617 1HG GLN 142 2HG GLN 142 9.379 -5.734 -5.734 618 2HG GLN 142 1HG GLN 142 9.121 -5.722 -5.722 619 1HE2 GLN 142 1HE2 GLN 142 7.328 -8.660 -8.660 620 2HE2 GLN 142 2HE2 GLN 142 8.727 -7.879 -7.879 621 H THR 143 H THR 143 7.198 -5.369 -5.369 622 HA THR 143 HA THR 143 5.564 -3.620 -3.620 623 HB THR 143 HB THR 143 5.740 -6.633 -6.633 624 HG1 THR 143 1HG THR 143 7.281 -4.723 -4.723 625 1HG2 THR 143 2HG2 THR 143 3.972 -5.111 -5.111 626 2HG2 THR 143 1HG2 THR 143 5.316 -5.060 -5.060 627 3HG2 THR 143 3HG2 THR 143 4.636 -6.611 -6.611 628 H ILE 144 H ILE 144 3.301 -3.734 -3.734 629 HA ILE 144 HA ILE 144 2.073 -4.375 -4.375 630 HB ILE 144 HB ILE 144 1.497 -2.342 -2.342 631 1HG1 ILE 144 1HG1 ILE 144 -0.913 -4.107 -4.107 632 2HG1 ILE 144 2HG1 ILE 144 0.026 -3.437 -3.437 633 1HG2 ILE 144 2HG2 ILE 144 1.453 -3.638 -3.638 634 2HG2 ILE 144 1HG2 ILE 144 -0.173 -4.136 -4.136 635 3HG2 ILE 144 3HG2 ILE 144 0.197 -2.425 -2.425 636 1HD1 ILE 144 1HD1 ILE 144 -0.462 -1.215 -1.215 637 2HD1 ILE 144 3HD1 ILE 144 -1.924 -2.158 -2.158 638 3HD1 ILE 144 2HD1 ILE 144 -1.441 -1.760 -1.760 639 H GLU 145 H GLU 145 2.450 -5.971 -5.971 640 HA GLU 145 HA GLU 145 0.136 -7.672 -7.672 641 1HB GLU 145 1HB GLU 145 2.365 -8.227 -8.227 642 2HB GLU 145 2HB GLU 145 0.643 -8.530 -8.530 643 1HG GLU 145 2HG GLU 145 0.869 -5.764 -5.764 644 2HG GLU 145 1HG GLU 145 2.199 -6.245 -6.245 645 H LYS 146 H LYS 146 3.613 -7.863 -7.863 646 HA LYS 146 HA LYS 146 3.515 -10.680 -10.680 647 1HB LYS 146 2HB LYS 146 5.465 -9.511 -9.511 648 2HB LYS 146 1HB LYS 146 5.832 -8.793 -8.793 649 1HG LYS 146 2HG LYS 146 6.968 -10.597 -10.597 650 2HG LYS 146 1HG LYS 146 5.522 -11.588 -11.588 651 1HD LYS 146 1HD LYS 146 6.579 -12.600 -12.600 652 2HD LYS 146 2HD LYS 146 6.385 -11.101 -11.101 653 1HE LYS 146 2HE LYS 146 8.558 -10.436 -10.436 654 2HE LYS 146 1HE LYS 146 8.769 -12.186 -12.186 655 1HZ LYS 146 2HZ LYS 146 8.288 -10.673 -10.673 656 2HZ LYS 146 1HZ LYS 146 9.839 -11.002 -11.002 657 3HZ LYS 146 3HZ LYS 146 8.811 -12.273 -12.273 658 H VAL 147 H VAL 147 3.983 -7.612 -7.612 659 HA VAL 147 HA VAL 147 4.608 -8.408 -8.408 660 HB VAL 147 HB VAL 147 4.385 -6.065 -6.065 661 1HG1 VAL 147 3HG2 VAL 147 1.432 -6.644 -6.644 662 2HG1 VAL 147 2HG2 VAL 147 2.123 -5.022 -5.022 663 3HG1 VAL 147 1HG2 VAL 147 2.400 -6.145 -6.145 664 1HG2 VAL 147 1HG1 VAL 147 4.300 -6.815 -6.815 665 2HG2 VAL 147 3HG1 VAL 147 3.681 -5.201 -5.201 666 3HG2 VAL 147 2HG1 VAL 147 2.562 -6.535 -6.535 667 H SER 148 H SER 148 3.209 -8.535 -8.535 668 HA SER 148 HA SER 148 1.299 -10.599 -10.599 669 1HB SER 148 2HB SER 148 2.708 -9.298 -9.298 670 2HB SER 148 1HB SER 148 1.009 -9.504 -9.504 671 HG SER 148 HG SER 148 2.308 -11.329 -11.329 672 H PHE 149 H PHE 149 0.899 -7.358 -7.358 673 HA PHE 149 HA PHE 149 -1.004 -6.241 -6.241 674 1HB PHE 149 1HB PHE 149 -2.708 -8.227 -8.227 675 2HB PHE 149 2HB PHE 149 -3.168 -7.166 -7.166 676 HD1 PHE 149 HD2 PHE 149 -0.628 -7.821 -7.821 677 HD2 PHE 149 HD1 PHE 149 -3.552 -10.213 -10.213 678 HE1 PHE 149 HE2 PHE 149 -0.206 -9.643 -9.643 679 HE2 PHE 149 HE1 PHE 149 -3.135 -12.038 -12.038 680 HZ PHE 149 HZ PHE 149 -1.461 -11.753 -11.753 681 H CYS 150 H CYS 150 -2.740 -4.954 -4.954 682 HA CYS 150 HA CYS 150 -1.677 -4.055 -4.055 683 1HB CYS 150 2HB CYS 150 -3.129 -2.133 -2.133 684 2HB CYS 150 1HB CYS 150 -2.272 -2.450 -2.450 685 HG CYS 150 HG CYS 150 -4.472 -2.424 -2.424 686 H ALA 151 H ALA 151 -3.719 -3.034 -3.034 687 HA ALA 151 HA ALA 151 -6.064 -4.449 -4.449 688 1HB ALA 151 2HB ALA 151 -3.885 -6.046 -6.046 689 2HB ALA 151 1HB ALA 151 -4.668 -5.532 -5.532 690 3HB ALA 151 3HB ALA 151 -5.601 -6.368 -6.368 691 HA PRO 152 HA PRO 152 -5.792 -0.692 -0.692 692 1HB PRO 152 2HB PRO 152 -8.457 -0.163 -0.163 693 2HB PRO 152 1HB PRO 152 -7.373 0.264 0.264 694 1HG PRO 152 1HG PRO 152 -9.202 -2.093 -2.093 695 2HG PRO 152 2HG PRO 152 -8.932 -1.044 -1.044 696 1HD PRO 152 1HD PRO 152 -7.773 -3.472 -3.472 697 2HD PRO 152 2HD PRO 152 -6.965 -2.109 -2.109 698 H ASP 153 H ASP 153 -5.729 -0.660 -0.660 699 HA ASP 153 HA ASP 153 -6.671 -2.752 -2.752 700 1HB ASP 153 2HB ASP 153 -5.956 -1.407 -1.407 701 2HB ASP 153 1HB ASP 153 -4.797 -1.186 -1.186 702 H ARG 154 H ARG 154 -7.828 -1.012 -1.012 703 HA ARG 154 HA ARG 154 -10.530 -0.848 -0.848 704 1HB ARG 154 1HB ARG 154 -11.367 -1.169 -1.169 705 2HB ARG 154 2HB ARG 154 -10.292 -2.481 -2.481 706 1HG ARG 154 2HG ARG 154 -9.229 -2.140 -2.140 707 2HG ARG 154 1HG ARG 154 -8.618 -0.641 -0.641 708 1HD ARG 154 1HD ARG 154 -10.715 0.473 0.473 709 2HD ARG 154 2HD ARG 154 -11.060 -1.012 -1.012 710 HE ARG 154 HE ARG 154 -8.543 -0.372 -0.372 711 1HH1 ARG 154 1HH1 ARG 154 -11.562 1.359 1.359 712 2HH1 ARG 154 2HH1 ARG 154 -11.181 2.345 2.345 713 1HH2 ARG 154 1HH2 ARG 154 -8.030 0.921 0.921 714 2HH2 ARG 154 2HH2 ARG 154 -9.171 2.095 2.095 715 H ASN 155 H ASN 155 -8.324 1.267 1.267 716 HA ASN 155 HA ASN 155 -9.036 3.282 3.282 717 1HB ASN 155 2HB ASN 155 -7.435 3.079 3.079 718 2HB ASN 155 1HB ASN 155 -8.299 4.612 4.612 719 1HD2 ASN 155 2HD2 ASN 155 -6.551 5.842 5.842 720 2HD2 ASN 155 1HD2 ASN 155 -8.045 5.905 5.905 721 H HIS 156 H HIS 156 -10.643 2.068 2.068 722 HA HIS 156 HA HIS 156 -12.842 2.364 2.364 723 1HB HIS 156 1HB HIS 156 -13.011 3.688 3.688 724 2HB HIS 156 2HB HIS 156 -12.999 5.098 5.098 725 HD1 HIS 156 HD1 HIS 156 -15.224 5.755 5.755 726 HD2 HIS 156 HD2 HIS 156 -15.182 1.843 1.843 727 HE1 HIS 156 HE1 HIS 156 -17.599 4.906 4.906 728 H GLU 157 H GLU 157 -10.442 4.889 4.889 729 HA GLU 157 HA GLU 157 -10.531 5.022 5.022 730 1HB GLU 157 1HB GLU 157 -11.680 7.420 7.420 731 2HB GLU 157 2HB GLU 157 -12.584 5.932 5.932 732 1HG GLU 157 2HG GLU 157 -13.712 6.141 6.141 733 2HG GLU 157 1HG GLU 157 -12.342 6.850 6.850 734 H ARG 158 H ARG 158 -8.320 5.097 5.097 735 HA ARG 158 HA ARG 158 -6.978 7.384 7.384 736 1HB ARG 158 2HB ARG 158 -6.416 8.258 8.258 737 2HB ARG 158 1HB ARG 158 -7.974 8.703 8.703 738 1HG ARG 158 1HG ARG 158 -8.814 6.593 6.593 739 2HG ARG 158 2HG ARG 158 -7.345 6.839 6.839 740 1HD ARG 158 2HD ARG 158 -8.060 8.856 8.856 741 2HD ARG 158 1HD ARG 158 -9.138 9.161 9.161 742 HE ARG 158 HE ARG 158 -10.192 6.975 6.975 743 1HH1 ARG 158 1HH2 ARG 158 -9.400 10.247 10.247 744 2HH1 ARG 158 2HH2 ARG 158 -10.647 10.361 10.361 745 1HH2 ARG 158 1HH1 ARG 158 -11.837 7.113 7.113 746 2HH2 ARG 158 2HH1 ARG 158 -12.032 8.579 8.579 747 H GLY 159 H GLY 159 -7.189 4.614 4.614 748 1HA GLY 159 1HA GLY 159 -4.253 4.437 4.437 749 2HA GLY 159 2HA GLY 159 -5.355 3.593 3.593 750 H PHE 160 H PHE 160 -3.198 3.006 3.006 751 HA PHE 160 HA PHE 160 -4.579 0.580 0.580 752 1HB PHE 160 2HB PHE 160 -2.872 2.124 2.124 753 2HB PHE 160 1HB PHE 160 -4.039 0.850 0.850 754 HD1 PHE 160 HD2 PHE 160 -6.471 1.607 1.607 755 HD2 PHE 160 HD1 PHE 160 -3.520 4.117 4.117 756 HE1 PHE 160 HE2 PHE 160 -8.193 3.304 3.304 757 HE2 PHE 160 HE1 PHE 160 -5.237 5.818 5.818 758 HZ PHE 160 HZ PHE 160 -7.577 5.412 5.412 759 H SER 161 H SER 161 -2.851 -0.822 -0.822 760 HA SER 161 HA SER 161 -0.132 -0.596 -0.596 761 1HB SER 161 2HB SER 161 -0.225 -2.685 -2.685 762 2HB SER 161 1HB SER 161 -0.516 -1.072 -1.072 763 HG SER 161 HG SER 161 -2.660 -1.484 -1.484 764 H TYR 162 H TYR 162 0.930 -1.757 -1.757 765 HA TYR 162 HA TYR 162 -0.486 -3.911 -3.911 766 1HB TYR 162 2HB TYR 162 2.142 -2.636 -2.636 767 2HB TYR 162 1HB TYR 162 1.092 -3.629 -3.629 768 HD1 TYR 162 HD2 TYR 162 -1.461 -2.104 -2.104 769 HD2 TYR 162 HD1 TYR 162 2.154 -0.895 -0.895 770 HE1 TYR 162 HE2 TYR 162 -2.582 -0.083 -0.083 771 HE2 TYR 162 HE1 TYR 162 1.041 1.132 1.132 772 HH TYR 162 HH2 TYR 162 -2.400 1.602 1.602 773 H ILE 163 H ILE 163 1.506 -5.437 -5.437 774 HA ILE 163 HA ILE 163 3.352 -6.234 -6.234 775 HB ILE 163 HB ILE 163 2.180 -8.704 -8.704 776 1HG1 ILE 163 1HG1 ILE 163 -0.010 -6.822 -6.822 777 2HG1 ILE 163 2HG1 ILE 163 0.143 -7.397 -7.397 778 1HG2 ILE 163 3HG2 ILE 163 2.526 -6.886 -6.886 779 2HG2 ILE 163 2HG2 ILE 163 1.326 -8.161 -8.161 780 3HG2 ILE 163 1HG2 ILE 163 2.992 -8.576 -8.576 781 1HD1 ILE 163 3HD1 ILE 163 -0.150 -9.205 -9.205 782 2HD1 ILE 163 2HD1 ILE 163 -1.493 -8.649 -8.649 783 3HD1 ILE 163 1HD1 ILE 163 -0.225 -9.651 -9.651 784 H CYS 164 H CYS 164 4.855 -7.864 -7.864 785 HA CYS 164 HA CYS 164 4.726 -8.578 -8.578 786 1HB CYS 164 2HB CYS 164 6.896 -7.667 -7.667 787 2HB CYS 164 1HB CYS 164 5.893 -6.377 -6.377 788 HG CYS 164 HG CYS 164 7.386 -6.168 -6.168 789 H ARG 165 H ARG 165 5.854 -10.423 -10.423 790 HA ARG 165 HA ARG 165 6.974 -11.881 -11.881 791 1HB ARG 165 1HB ARG 165 6.674 -13.836 -13.836 792 2HB ARG 165 2HB ARG 165 5.358 -13.304 -13.304 793 1HG ARG 165 1HG ARG 165 4.575 -13.578 -13.578 794 2HG ARG 165 2HG ARG 165 4.529 -11.871 -11.871 795 1HD ARG 165 1HD ARG 165 5.400 -12.019 -12.019 796 2HD ARG 165 2HD ARG 165 6.729 -11.590 -11.590 797 HE ARG 165 HE ARG 165 7.743 -13.577 -13.577 798 1HH1 ARG 165 1HH2 ARG 165 4.420 -13.690 -13.690 799 2HH1 ARG 165 2HH2 ARG 165 4.602 -15.187 -15.187 800 1HH2 ARG 165 2HH1 ARG 165 7.993 -15.547 -15.547 801 2HH2 ARG 165 1HH1 ARG 165 6.633 -16.241 -16.241 802 H ASP 166 H ASP 166 9.002 -10.747 -10.747 803 HA ASP 166 HA ASP 166 11.171 -10.598 -10.598 804 1HB ASP 166 2HB ASP 166 11.274 -12.971 -12.971 805 2HB ASP 166 1HB ASP 166 10.511 -13.303 -13.303 806 H GLY 167 H GLY 167 10.342 -12.423 -12.423 807 1HA GLY 167 2HA GLY 167 10.397 -11.851 -11.851 808 2HA GLY 167 1HA GLY 167 9.715 -10.313 -10.313 809 H THR 168 H THR 168 11.165 -8.614 -8.614 810 HA THR 168 HA THR 168 13.943 -8.944 -8.944 811 HB THR 168 HB THR 168 12.400 -6.530 -6.530 812 HG1 THR 168 1HG THR 168 12.767 -8.833 -8.833 813 1HG2 THR 168 2HG2 THR 168 14.930 -6.677 -6.677 814 2HG2 THR 168 1HG2 THR 168 14.691 -7.872 -7.872 815 3HG2 THR 168 3HG2 THR 168 14.081 -6.229 -6.229 816 H THR 169 H THR 169 12.379 -8.506 -8.506 817 HA THR 169 HA THR 169 13.645 -5.988 -5.988 818 HB THR 169 HB THR 169 11.257 -7.441 -7.441 819 HG1 THR 169 1HG THR 169 10.652 -6.303 -6.303 820 1HG2 THR 169 1HG2 THR 169 12.981 -5.496 -5.496 821 2HG2 THR 169 3HG2 THR 169 11.341 -4.873 -4.873 822 3HG2 THR 169 2HG2 THR 169 11.618 -6.386 -6.386 823 H ARG 170 H ARG 170 12.465 -8.668 -8.668 824 HA ARG 170 HA ARG 170 15.119 -9.612 -9.612 825 1HB ARG 170 2HB ARG 170 13.505 -8.126 -8.126 826 2HB ARG 170 1HB ARG 170 14.874 -9.159 -9.159 827 1HG ARG 170 1HG ARG 170 14.979 -6.692 -6.692 828 2HG ARG 170 2HG ARG 170 15.482 -6.792 -6.792 829 1HD ARG 170 1HD ARG 170 16.666 -8.460 -8.460 830 2HD ARG 170 2HD ARG 170 17.352 -6.937 -6.937 831 HE ARG 170 HE ARG 170 16.981 -8.681 -8.681 832 1HH1 ARG 170 1HH2 ARG 170 18.991 -8.236 -8.236 833 2HH1 ARG 170 2HH2 ARG 170 20.363 -9.034 -9.034 834 1HH2 ARG 170 1HH1 ARG 170 18.780 -9.733 -9.733 835 2HH2 ARG 170 2HH1 ARG 170 20.243 -9.886 -9.886 836 H ARG 171 H ARG 171 12.062 -9.515 -9.515 837 HA ARG 171 HA ARG 171 11.541 -12.312 -12.312 838 1HB ARG 171 1HB ARG 171 11.493 -13.030 -13.030 839 2HB ARG 171 2HB ARG 171 13.052 -12.268 -12.268 840 1HG ARG 171 2HG ARG 171 12.698 -10.839 -10.839 841 2HG ARG 171 1HG ARG 171 11.190 -10.298 -10.298 842 1HD ARG 171 2HD ARG 171 10.140 -11.200 -11.200 843 2HD ARG 171 1HD ARG 171 10.561 -12.774 -12.774 844 HE ARG 171 HE ARG 171 12.617 -11.620 -11.620 845 1HH1 ARG 171 2HH2 ARG 171 9.732 -13.571 -13.571 846 2HH1 ARG 171 1HH2 ARG 171 10.103 -14.391 -14.391 847 1HH2 ARG 171 2HH1 ARG 171 13.115 -12.693 -12.693 848 2HH2 ARG 171 1HH1 ARG 171 12.028 -13.892 -13.892 849 H TRP 172 H TRP 172 9.620 -12.543 -12.543 850 HA TRP 172 HA TRP 172 7.372 -11.318 -11.318 851 1HB TRP 172 1HB TRP 172 7.465 -12.357 -12.357 852 2HB TRP 172 2HB TRP 172 6.075 -12.272 -12.272 853 HD1 TRP 172 HD1 TRP 172 6.808 -14.989 -14.989 854 HE1 TRP 172 HE1 TRP 172 7.462 -17.029 -17.029 855 HE3 TRP 172 HE3 TRP 172 8.251 -12.579 -12.579 856 HZ2 TRP 172 2HZ TRP 172 8.456 -17.553 -17.553 857 HZ3 TRP 172 HZ3 TRP 172 9.041 -13.930 -13.930 858 HH2 TRP 172 HH2 TRP 172 9.139 -16.364 -16.364 859 H MET 173 H MET 173 8.242 -9.119 -9.119 860 HA MET 173 HA MET 173 8.376 -7.714 -7.714 861 1HB MET 173 2HB MET 173 10.133 -7.184 -7.184 862 2HB MET 173 1HB MET 173 9.046 -7.047 -7.047 863 1HG MET 173 1HG MET 173 8.876 -4.886 -4.886 864 2HG MET 173 2HG MET 173 8.276 -5.141 -5.141 865 1HE MET 173 1HE MET 173 10.327 -6.510 -6.510 866 2HE MET 173 3HE MET 173 11.685 -5.489 -5.489 867 3HE MET 173 2HE MET 173 10.032 -4.970 -4.970 868 H CYS 174 H CYS 174 6.687 -6.722 -6.722 869 HA CYS 174 HA CYS 174 4.288 -6.300 -6.300 870 1HB CYS 174 2HB CYS 174 4.969 -6.475 -6.475 871 2HB CYS 174 1HB CYS 174 3.768 -5.242 -5.242 872 HG CYS 174 HG CYS 174 3.143 -8.088 -8.088 873 H HIS 175 H HIS 175 3.379 -4.329 -4.329 874 HA HIS 175 HA HIS 175 5.117 -1.997 -1.997 875 1HB HIS 175 2HB HIS 175 3.237 -2.555 -2.555 876 2HB HIS 175 1HB HIS 175 4.150 -1.065 -1.065 877 HD1 HIS 175 HD1 HIS 175 6.267 -1.018 -1.018 878 HD2 HIS 175 HD2 HIS 175 5.143 -4.883 -4.883 879 HE1 HIS 175 HE1 HIS 175 7.985 -2.555 -2.555 880 H GLY 176 H GLY 176 4.332 -0.545 -0.545 881 1HA GLY 176 1HA GLY 176 1.397 -0.303 -0.303 882 2HA GLY 176 2HA GLY 176 2.511 -0.049 -0.049 883 H PHE 177 H PHE 177 0.505 1.787 1.787 884 HA PHE 177 HA PHE 177 1.981 4.155 4.155 885 1HB PHE 177 1HB PHE 177 1.872 4.955 4.955 886 2HB PHE 177 2HB PHE 177 2.743 3.427 3.427 887 HD1 PHE 177 HD1 PHE 177 0.686 1.406 1.406 888 HD2 PHE 177 HD2 PHE 177 0.834 5.194 5.194 889 HE1 PHE 177 HE1 PHE 177 -0.809 0.562 0.562 890 HE2 PHE 177 HE2 PHE 177 -0.663 4.353 4.353 891 HZ PHE 177 HZ PHE 177 -1.485 2.034 2.034 892 H LEU 178 H LEU 178 0.628 6.052 6.052 893 HA LEU 178 HA LEU 178 -2.240 5.570 5.570 894 1HB LEU 178 2HB LEU 178 -1.061 6.314 6.314 895 2HB LEU 178 1HB LEU 178 -0.957 7.883 7.883 896 HG LEU 178 HG LEU 178 -3.609 7.248 7.248 897 1HD1 LEU 178 2HD2 LEU 178 -3.107 5.281 5.281 898 2HD1 LEU 178 1HD2 LEU 178 -2.966 6.495 6.495 899 3HD1 LEU 178 3HD2 LEU 178 -4.484 6.310 6.310 900 1HD2 LEU 178 1HD1 LEU 178 -2.021 9.157 9.157 901 2HD2 LEU 178 3HD1 LEU 178 -3.716 9.283 9.283 902 3HD2 LEU 178 2HD1 LEU 178 -3.289 8.649 8.649 903 H ALA 179 H ALA 179 -3.495 6.899 6.899 904 HA ALA 179 HA ALA 179 -2.280 8.175 8.175 905 1HB ALA 179 3HB ALA 179 -5.061 7.959 7.959 906 2HB ALA 179 2HB ALA 179 -4.705 9.158 9.158 907 3HB ALA 179 1HB ALA 179 -4.377 7.451 7.451 908 H CYS 180 H CYS 180 -1.841 10.257 10.257 909 HA CYS 180 HA CYS 180 -1.400 12.095 12.095 910 1HB CYS 180 1HB CYS 180 0.015 12.186 12.186 911 2HB CYS 180 2HB CYS 180 -1.370 12.402 12.402 912 HG CYS 180 HG CYS 180 -1.576 14.832 14.832 913 H LYS 181 H LYS 181 -3.930 11.684 11.684 914 HA LYS 181 HA LYS 181 -5.287 14.126 14.126 915 1HB LYS 181 1HB LYS 181 -6.501 11.769 11.769 916 2HB LYS 181 2HB LYS 181 -6.927 13.469 13.469 917 1HG LYS 181 1HG LYS 181 -4.311 12.278 12.278 918 2HG LYS 181 2HG LYS 181 -5.695 12.590 12.590 919 1HD LYS 181 1HD LYS 181 -5.395 14.849 14.849 920 2HD LYS 181 2HD LYS 181 -4.705 14.836 14.836 921 1HE LYS 181 2HE LYS 181 -2.719 13.607 13.607 922 2HE LYS 181 1HE LYS 181 -3.381 14.269 14.269 923 1HZ LYS 181 1HZ LYS 181 -3.139 16.202 16.202 924 2HZ LYS 181 3HZ LYS 181 -1.657 15.548 15.548 925 3HZ LYS 181 2HZ LYS 181 -2.659 16.305 16.305 926 H ASP 182 H ASP 182 -5.334 10.832 10.832 927 HA ASP 182 HA ASP 182 -6.438 9.785 9.785 928 1HB ASP 182 1HB ASP 182 -5.665 12.098 12.098 929 2HB ASP 182 2HB ASP 182 -7.401 12.386 12.386 930 H SER 183 H SER 183 -7.890 10.219 10.219 931 HA SER 183 HA SER 183 -10.572 9.872 9.872 932 1HB SER 183 1HB SER 183 -11.478 11.478 11.478 933 2HB SER 183 2HB SER 183 -10.709 12.207 12.207 934 HG SER 183 HG SER 183 -9.942 12.239 12.239 935 H GLY 184 H GLY 184 -8.380 8.415 8.415 936 1HA GLY 184 2HA GLY 184 -8.211 6.983 6.983 937 2HA GLY 184 1HA GLY 184 -9.873 6.613 6.613 938 H GLU 185 H GLU 185 -8.999 9.792 9.792 939 HA GLU 185 HA GLU 185 -10.442 9.215 9.215 940 1HB GLU 185 2HB GLU 185 -10.584 11.406 11.406 941 2HB GLU 185 1HB GLU 185 -10.295 11.986 11.986 942 1HG GLU 185 1HG GLU 185 -12.485 11.850 11.850 943 2HG GLU 185 2HG GLU 185 -12.281 10.099 10.099 944 H ARG 186 H ARG 186 -7.544 8.874 8.874 945 HA ARG 186 HA ARG 186 -6.462 9.664 9.664 946 1HB ARG 186 1HB ARG 186 -6.521 11.773 11.773 947 2HB ARG 186 2HB ARG 186 -4.848 11.253 11.253 948 1HG ARG 186 1HG ARG 186 -4.650 12.402 12.402 949 2HG ARG 186 2HG ARG 186 -5.917 11.418 11.418 950 1HD ARG 186 1HD ARG 186 -7.201 13.228 13.228 951 2HD ARG 186 2HD ARG 186 -7.238 13.223 13.223 952 HE ARG 186 HE ARG 186 -4.880 14.478 14.478 953 1HH1 ARG 186 2HH2 ARG 186 -8.323 14.980 14.980 954 2HH1 ARG 186 1HH2 ARG 186 -8.201 16.707 16.707 955 1HH2 ARG 186 1HH1 ARG 186 -4.707 16.753 16.753 956 2HH2 ARG 186 2HH1 ARG 186 -6.145 17.714 17.714 957 H LEU 187 H LEU 187 -6.567 7.404 7.404 958 HA LEU 187 HA LEU 187 -3.846 6.574 6.574 959 1HB LEU 187 2HB LEU 187 -5.144 7.243 7.243 960 2HB LEU 187 1HB LEU 187 -3.978 5.937 5.937 961 HG LEU 187 HG LEU 187 -2.687 8.019 8.019 962 1HD1 LEU 187 1HD1 LEU 187 -4.763 9.189 9.189 963 2HD1 LEU 187 3HD1 LEU 187 -3.305 9.433 9.433 964 3HD1 LEU 187 2HD1 LEU 187 -3.363 9.993 9.993 965 1HD2 LEU 187 3HD2 LEU 187 -2.558 6.743 6.743 966 2HD2 LEU 187 2HD2 LEU 187 -1.370 6.766 6.766 967 3HD2 LEU 187 1HD2 LEU 187 -1.593 8.190 8.190 968 H SER 188 H SER 188 -6.956 5.909 5.909 969 HA SER 188 HA SER 188 -6.660 3.073 3.073 970 1HB SER 188 2HB SER 188 -8.033 3.675 3.675 971 2HB SER 188 1HB SER 188 -8.858 4.928 4.928 972 HG SER 188 HG SER 188 -9.187 2.122 2.122 973 H HIS 189 H HIS 189 -9.141 5.206 5.206 974 HA HIS 189 HA HIS 189 -10.099 3.425 3.425 975 1HB HIS 189 1HB HIS 189 -11.260 5.499 5.499 976 2HB HIS 189 2HB HIS 189 -9.900 6.442 6.442 977 HD1 HIS 189 HD1 HIS 189 -9.704 6.725 6.725 978 HD2 HIS 189 HD2 HIS 189 -12.850 4.293 4.293 979 HE1 HIS 189 HE1 HIS 189 -11.142 6.362 6.362 980 H ALA 190 H ALA 190 -7.319 5.566 5.566 981 HA ALA 190 HA ALA 190 -6.707 5.273 5.273 982 1HB ALA 190 1HB ALA 190 -5.748 7.022 7.022 983 2HB ALA 190 3HB ALA 190 -4.808 5.788 5.788 984 3HB ALA 190 2HB ALA 190 -4.509 6.114 6.114 985 H VAL 191 H VAL 191 -4.830 3.888 3.888 986 HA VAL 191 HA VAL 191 -3.428 2.013 2.013 987 HB VAL 191 HB VAL 191 -4.402 1.619 1.619 988 1HG1 VAL 191 3HG2 VAL 191 -2.873 -0.010 -0.010 989 2HG1 VAL 191 2HG2 VAL 191 -1.754 0.683 0.683 990 3HG1 VAL 191 1HG2 VAL 191 -3.163 -0.222 -0.222 991 1HG2 VAL 191 1HG1 VAL 191 -2.949 3.761 3.761 992 2HG2 VAL 191 3HG1 VAL 191 -2.967 3.169 3.169 993 3HG2 VAL 191 2HG1 VAL 191 -1.699 2.646 2.646 994 H GLY 192 H GLY 192 -6.538 1.557 1.557 995 1HA GLY 192 1HA GLY 192 -6.957 -1.124 -1.124 996 2HA GLY 192 2HA GLY 192 -8.242 0.065 0.065 997 H CYS 193 H CYS 193 -7.127 1.613 1.613 998 HA CYS 193 HA CYS 193 -8.450 0.106 0.106 999 1HB CYS 193 1HB CYS 193 -7.435 2.937 2.937 1000 2HB CYS 193 2HB CYS 193 -8.001 2.262 2.262 1001 HG CYS 193 HG CYS 193 -10.128 1.950 1.950 1002 H ALA 194 H ALA 194 -5.258 1.070 1.070 1003 HA ALA 194 HA ALA 194 -3.808 0.861 0.861 1004 1HB ALA 194 3HB ALA 194 -3.067 1.401 1.401 1005 2HB ALA 194 2HB ALA 194 -2.714 -0.324 -0.324 1006 3HB ALA 194 1HB ALA 194 -1.917 0.692 0.692 1007 H PHE 195 H PHE 195 -4.614 -1.731 -1.731 1008 HA PHE 195 HA PHE 195 -3.434 -3.855 -3.855 1009 1HB PHE 195 1HB PHE 195 -5.895 -3.736 -3.736 1010 2HB PHE 195 2HB PHE 195 -5.206 -5.252 -5.252 1011 HD1 PHE 195 HD1 PHE 195 -3.077 -6.050 -6.050 1012 HD2 PHE 195 HD2 PHE 195 -4.776 -2.410 -2.410 1013 HE1 PHE 195 HE1 PHE 195 -1.512 -6.057 -6.057 1014 HE2 PHE 195 HE2 PHE 195 -3.213 -2.411 -2.411 1015 HZ PHE 195 HZ PHE 195 -1.579 -4.235 -4.235 1016 H ALA 196 H ALA 196 -6.303 -2.096 -2.096 1017 HA ALA 196 HA ALA 196 -7.838 -3.853 -3.853 1018 1HB ALA 196 1HB ALA 196 -8.348 -1.453 -1.453 1019 2HB ALA 196 3HB ALA 196 -7.190 -1.060 -1.060 1020 3HB ALA 196 2HB ALA 196 -8.632 -2.000 -2.000 1021 H VAL 197 H VAL 197 -5.013 -2.080 -2.080 1022 HA VAL 197 HA VAL 197 -5.044 -3.147 -3.147 1023 HB VAL 197 HB VAL 197 -2.699 -2.189 -2.189 1024 1HG1 VAL 197 3HG2 VAL 197 -2.881 -3.207 -3.207 1025 2HG1 VAL 197 2HG2 VAL 197 -1.878 -1.784 -1.784 1026 3HG1 VAL 197 1HG2 VAL 197 -1.546 -3.280 -3.280 1027 1HG2 VAL 197 1HG1 VAL 197 -4.640 -0.869 -0.869 1028 2HG2 VAL 197 3HG1 VAL 197 -4.082 -0.352 -0.352 1029 3HG2 VAL 197 2HG1 VAL 197 -3.013 -0.216 -0.216 1030 H CYS 198 H CYS 198 -3.622 -4.337 -4.337 1031 HA CYS 198 HA CYS 198 -2.216 -6.520 -6.520 1032 1HB CYS 198 1HB CYS 198 -1.659 -5.780 -5.780 1033 2HB CYS 198 2HB CYS 198 -3.306 -6.050 -6.050 1034 HG CYS 198 HG CYS 198 -2.829 -8.452 -8.452 1035 H LEU 199 H LEU 199 -5.526 -6.011 -6.011 1036 HA LEU 199 HA LEU 199 -6.192 -8.681 -8.681 1037 1HB LEU 199 1HB LEU 199 -7.753 -7.413 -7.413 1038 2HB LEU 199 2HB LEU 199 -7.780 -9.080 -9.080 1039 HG LEU 199 HG LEU 199 -5.228 -8.953 -8.953 1040 1HD1 LEU 199 2HD1 LEU 199 -6.459 -6.566 -6.566 1041 2HD1 LEU 199 1HD1 LEU 199 -5.908 -7.623 -7.623 1042 3HD1 LEU 199 3HD1 LEU 199 -4.774 -7.084 -7.084 1043 1HD2 LEU 199 2HD2 LEU 199 -7.744 -9.539 -9.539 1044 2HD2 LEU 199 1HD2 LEU 199 -6.569 -10.661 -10.661 1045 3HD2 LEU 199 3HD2 LEU 199 -6.163 -9.734 -9.734 1046 H GLU 200 H GLU 200 -6.253 -6.821 -6.821 1047 HA GLU 200 HA GLU 200 -8.265 -4.971 -4.971 1048 1HB GLU 200 1HB GLU 200 -8.179 -5.472 -5.472 1049 2HB GLU 200 2HB GLU 200 -6.671 -5.008 -5.008 1050 1HG GLU 200 2HG GLU 200 -5.828 -7.187 -7.187 1051 2HG GLU 200 1HG GLU 200 -7.418 -7.885 -7.885 1052 H ARG 201 H ARG 201 -8.513 -8.420 -8.420 1053 HA ARG 201 HA ARG 201 -11.408 -8.162 -8.162 1054 1HB ARG 201 2HB ARG 201 -9.549 -10.397 -10.397 1055 2HB ARG 201 1HB ARG 201 -11.302 -10.500 -10.500 1056 1HG ARG 201 2HG ARG 201 -10.927 -8.230 -8.230 1057 2HG ARG 201 1HG ARG 201 -9.404 -9.050 -9.050 1058 1HD ARG 201 2HD ARG 201 -10.890 -9.690 -9.690 1059 2HD ARG 201 1HD ARG 201 -10.794 -11.071 -11.071 1060 HE ARG 201 HE ARG 201 -12.962 -9.378 -9.378 1061 1HH1 ARG 201 2HH2 ARG 201 -11.955 -11.778 -11.778 1062 2HH1 ARG 201 1HH2 ARG 201 -13.566 -12.315 -12.315 1063 1HH2 ARG 201 1HH1 ARG 201 -15.090 -10.076 -10.076 1064 2HH2 ARG 201 2HH1 ARG 201 -15.349 -11.347 -11.347 1065 H LYS 202 H LYS 202 -9.774 -8.128 -8.128 1066 HA LYS 202 HA LYS 202 -9.707 -9.050 -9.050 1067 1HB LYS 202 1HB LYS 202 -12.520 -9.741 -9.741 1068 2HB LYS 202 2HB LYS 202 -11.930 -9.923 -9.923 1069 1HG LYS 202 1HG LYS 202 -12.322 -7.396 -7.396 1070 2HG LYS 202 2HG LYS 202 -13.077 -7.876 -7.876 1071 1HD LYS 202 1HD LYS 202 -10.527 -7.937 -7.937 1072 2HD LYS 202 2HD LYS 202 -10.387 -6.742 -6.742 1073 1HE LYS 202 1HE LYS 202 -11.156 -5.192 -5.192 1074 2HE LYS 202 2HE LYS 202 -12.686 -6.064 -6.064 1075 1HZ LYS 202 3HZ LYS 202 -11.342 -7.483 -7.483 1076 2HZ LYS 202 2HZ LYS 202 -10.442 -6.059 -6.059 1077 3HZ LYS 202 1HZ LYS 202 -12.106 -6.043 -6.043 1078 H GLN 203 H GLN 203 -8.424 -10.667 -10.667 1079 HA GLN 203 HA GLN 203 -9.361 -13.358 -13.358 1080 1HB GLN 203 1HB GLN 203 -7.576 -12.117 -12.117 1081 2HB GLN 203 2HB GLN 203 -6.462 -12.777 -12.777 1082 1HG GLN 203 2HG GLN 203 -6.539 -14.359 -14.359 1083 2HG GLN 203 1HG GLN 203 -7.555 -15.022 -15.022 1084 1HE2 GLN 203 1HE2 GLN 203 -9.472 -15.606 -15.606 1085 2HE2 GLN 203 2HE2 GLN 203 -8.076 -16.207 -16.207 1086 H ARG 204 H ARG 204 -9.788 -13.124 -13.124 1087 HA ARG 204 HA ARG 204 -7.531 -13.345 -13.345 1088 1HB ARG 204 1HB ARG 204 -9.181 -13.697 -13.697 1089 2HB ARG 204 2HB ARG 204 -9.660 -12.347 -12.347 1090 1HG ARG 204 2HG ARG 204 -10.810 -14.732 -14.732 1091 2HG ARG 204 1HG ARG 204 -11.148 -14.642 -14.642 1092 1HD ARG 204 2HD ARG 204 -11.844 -12.226 -12.226 1093 2HD ARG 204 1HD ARG 204 -11.841 -12.658 -12.658 1094 HE ARG 204 HE ARG 204 -13.381 -14.559 -14.559 1095 1HH1 ARG 204 2HH2 ARG 204 -13.445 -11.120 -11.120 1096 2HH1 ARG 204 1HH2 ARG 204 -15.173 -11.013 -11.013 1097 1HH2 ARG 204 1HH1 ARG 204 -15.659 -14.432 -14.432 1098 2HH2 ARG 204 2HH1 ARG 204 -16.433 -12.897 -12.897 1099 H ARG 205 H ARG 205 -6.495 -15.145 -15.145 1100 HA ARG 205 HA ARG 205 -7.753 -17.743 -17.743 1101 1HB ARG 205 2HB ARG 205 -6.198 -17.012 -17.012 1102 2HB ARG 205 1HB ARG 205 -4.880 -17.131 -17.131 1103 1HG ARG 205 2HG ARG 205 -5.555 -19.530 -19.530 1104 2HG ARG 205 1HG ARG 205 -6.635 -19.343 -19.343 1105 1HD ARG 205 1HD ARG 205 -4.036 -18.343 -18.343 1106 2HD ARG 205 2HD ARG 205 -3.892 -19.976 -19.976 1107 HE ARG 205 HE ARG 205 -5.970 -19.989 -19.989 1108 1HH1 ARG 205 2HH2 ARG 205 -2.523 -19.494 -19.494 1109 2HH1 ARG 205 1HH2 ARG 205 -2.278 -20.074 -20.074 1110 1HH2 ARG 205 1HH1 ARG 205 -5.659 -20.757 -20.757 1111 2HH2 ARG 205 2HH1 ARG 205 -4.061 -20.792 -20.792 1112 H THR 206 H THR 206 -7.959 -17.282 -17.282 1113 HA THR 206 HA THR 206 -5.529 -17.884 -17.884 1114 HB THR 206 HB THR 206 -6.700 -17.233 -17.233 1115 HG1 THR 206 1HG THR 206 -8.601 -18.165 -18.165 1116 1HG2 THR 206 1HG2 THR 206 -6.356 -15.381 -15.381 1117 2HG2 THR 206 3HG2 THR 206 -8.087 -15.515 -15.515 1118 3HG2 THR 206 2HG2 THR 206 -7.508 -15.089 -15.089 1119 H ARG 207 H ARG 207 -5.831 -19.469 -19.469 1120 HA ARG 207 HA ARG 207 -6.224 -22.034 -22.034 1121 1HB ARG 207 2HB ARG 207 -5.738 -20.849 -20.849 1122 2HB ARG 207 1HB ARG 207 -6.534 -22.417 -22.417 1123 1HG ARG 207 2HG ARG 207 -4.722 -23.390 -23.390 1124 2HG ARG 207 1HG ARG 207 -3.936 -21.814 -21.814 1125 1HD ARG 207 2HD ARG 207 -2.854 -22.315 -22.315 1126 2HD ARG 207 1HD ARG 207 -4.397 -22.185 -22.185 1127 HE ARG 207 HE ARG 207 -4.035 -24.761 -24.761 1128 1HH1 ARG 207 1HH1 ARG 207 -3.158 -22.767 -22.767 1129 2HH1 ARG 207 2HH1 ARG 207 -2.875 -24.108 -24.108 1130 1HH2 ARG 207 2HH2 ARG 207 -3.665 -26.535 -26.535 1131 2HH2 ARG 207 1HH2 ARG 207 -3.164 -26.250 -26.250 1132 H ALA 208 H ALA 208 -7.896 -23.464 -23.464 1133 HA ALA 208 HA ALA 208 -10.055 -24.182 -24.182 1134 1HB ALA 208 3HB ALA 208 -9.497 -23.846 -23.846 1135 2HB ALA 208 2HB ALA 208 -10.721 -22.583 -22.583 1136 3HB ALA 208 1HB ALA 208 -11.129 -24.251 -24.251 1137 H ALA 209 H ALA 209 -10.762 -23.143 -23.143 1138 HA ALA 209 HA ALA 209 -11.662 -20.430 -20.430 1139 1HB ALA 209 1HB ALA 209 -11.817 -22.672 -22.672 1140 2HB ALA 209 3HB ALA 209 -12.622 -21.129 -21.129 1141 3HB ALA 209 2HB ALA 209 -10.871 -21.186 -21.186 1142 H ALA 210 H ALA 210 -13.812 -19.682 -19.682 1143 HA ALA 210 HA ALA 210 -16.023 -19.552 -19.552 1144 1HB ALA 210 1HB ALA 210 -15.674 -22.179 -22.179 1145 2HB ALA 210 3HB ALA 210 -17.121 -22.029 -22.029 1146 3HB ALA 210 2HB ALA 210 -16.848 -20.907 -20.907 1147 1H ALA 1 2HT ALA 1 -13.693 -7.062 -7.062 1148 2H ALA 1 1HT ALA 1 -12.035 -7.499 -7.499 1149 3H ALA 1 3HT ALA 1 -12.784 -6.796 -6.796 1150 HA ALA 1 HA ALA 1 -13.124 -4.773 -4.773 1151 1HB ALA 1 3HB ALA 1 -11.017 -5.259 -5.259 1152 2HB ALA 1 2HB ALA 1 -10.254 -5.634 -5.634 1153 3HB ALA 1 1HB ALA 1 -10.876 -4.012 -4.012 1154 H TYR 2 H TYR 2 -10.788 -6.684 -6.684 1155 HA TYR 2 HA TYR 2 -12.234 -6.433 -6.433 1156 1HB TYR 2 1HB TYR 2 -9.979 -5.053 -5.053 1157 2HB TYR 2 2HB TYR 2 -11.598 -4.393 -4.393 1158 HD1 TYR 2 HD2 TYR 2 -9.070 -5.321 -5.321 1159 HD2 TYR 2 HD1 TYR 2 -11.319 -2.221 -2.221 1160 HE1 TYR 2 HE2 TYR 2 -8.223 -3.720 -3.720 1161 HE2 TYR 2 HE1 TYR 2 -10.480 -0.612 -0.612 1162 HH TYR 2 HH2 TYR 2 -7.900 -1.342 -1.342 1163 H ILE 3 H ILE 3 -8.725 -6.109 -6.109 1164 HA ILE 3 HA ILE 3 -8.507 -8.914 -8.914 1165 HB ILE 3 HB ILE 3 -6.573 -6.689 -6.689 1166 1HG1 ILE 3 2HG1 ILE 3 -8.785 -6.332 -6.332 1167 2HG1 ILE 3 1HG1 ILE 3 -7.521 -6.679 -6.679 1168 1HG2 ILE 3 3HG2 ILE 3 -6.133 -9.369 -9.369 1169 2HG2 ILE 3 2HG2 ILE 3 -6.666 -9.107 -9.107 1170 3HG2 ILE 3 1HG2 ILE 3 -5.283 -8.214 -8.214 1171 1HD1 ILE 3 3HD1 ILE 3 -8.315 -9.069 -9.069 1172 2HD1 ILE 3 2HD1 ILE 3 -9.708 -8.494 -8.494 1173 3HD1 ILE 3 1HD1 ILE 3 -9.416 -7.892 -7.892 1174 H GLY 4 H GLY 4 -6.724 -6.328 -6.328 1175 1HA GLY 4 2HA GLY 4 -4.673 -7.820 -7.820 1176 2HA GLY 4 1HA GLY 4 -5.379 -6.415 -6.415 1177 HA PRO 5 HA PRO 5 -6.927 -8.824 -8.824 1178 1HB PRO 5 2HB PRO 5 -9.622 -7.670 -7.670 1179 2HB PRO 5 1HB PRO 5 -8.616 -7.634 -7.634 1180 1HG PRO 5 1HG PRO 5 -8.926 -5.455 -5.455 1181 2HG PRO 5 2HG PRO 5 -7.363 -5.838 -5.838 1182 1HD PRO 5 2HD PRO 5 -8.250 -6.194 -6.194 1183 2HD PRO 5 1HD PRO 5 -6.678 -5.658 -5.658 1184 1HN PTR 6 H PTR 6 -8.950 -8.710 -8.710 1185 HA PTR 6 HA PTR 6 -10.333 -11.154 -11.154 1186 1HB PTR 6 1HB PTR 6 -10.311 -10.149 -10.149 1187 2HB PTR 6 2HB PTR 6 -10.957 -9.051 -9.051 1188 HD1 PTR 6 HD1 PTR 6 -12.493 -10.563 -10.563 1189 HD2 PTR 6 HD2 PTR 6 -12.029 -11.172 -11.172 1190 HE1 PTR 6 HE1 PTR 6 -14.721 -11.619 -11.619 1191 HE2 PTR 6 HE2 PTR 6 -13.845 -12.844 -12.844 1192 H LEU 7 H LEU 7 -10.333 -12.349 -12.349 1193 HA LEU 7 HA LEU 7 -9.223 -13.895 -13.895 1194 1HB LEU 7 2HB LEU 7 -7.173 -11.856 -11.856 1195 2HB LEU 7 1HB LEU 7 -6.544 -13.436 -13.436 1196 HG LEU 7 HG LEU 7 -7.964 -13.343 -13.343 1197 1HD1 LEU 7 3HD1 LEU 7 -9.036 -11.088 -11.088 1198 2HD1 LEU 7 2HD1 LEU 7 -8.162 -10.494 -10.494 1199 3HD1 LEU 7 1HD1 LEU 7 -9.428 -11.707 -11.707 1200 1HD2 LEU 7 2HD2 LEU 7 -5.491 -12.105 -12.105 1201 2HD2 LEU 7 1HD2 LEU 7 -6.051 -12.750 -12.750 1202 3HD2 LEU 7 3HD2 LEU 7 -6.355 -11.063 -11.063 Start of MODEL 7 1 HA SER 64 HA SER 64 -17.384 8.498 8.498 2 1HB SER 64 1HB SER 64 -15.322 7.057 7.057 3 2HB SER 64 2HB SER 64 -16.861 6.225 6.225 4 HG SER 64 HG SER 64 -14.941 5.483 5.483 5 H LYS 65 H LYS 65 -17.457 9.984 9.984 6 HA LYS 65 HA LYS 65 -14.649 10.552 10.552 7 1HB LYS 65 2HB LYS 65 -15.118 10.953 10.953 8 2HB LYS 65 1HB LYS 65 -15.637 9.326 9.326 9 1HG LYS 65 1HG LYS 65 -17.832 9.795 9.795 10 2HG LYS 65 2HG LYS 65 -17.656 11.483 11.483 11 1HD LYS 65 2HD LYS 65 -17.743 11.998 11.998 12 2HD LYS 65 1HD LYS 65 -16.148 11.258 11.258 13 1HE LYS 65 1HE LYS 65 -17.091 9.168 9.168 14 2HE LYS 65 2HE LYS 65 -18.717 9.704 9.704 15 1HZ LYS 65 2HZ LYS 65 -18.443 11.423 11.423 16 2HZ LYS 65 1HZ LYS 65 -17.044 10.607 10.607 17 3HZ LYS 65 3HZ LYS 65 -18.543 9.825 9.825 18 HA PRO 66 HA PRO 66 -17.538 14.181 14.181 19 1HB PRO 66 1HB PRO 66 -15.710 14.863 14.863 20 2HB PRO 66 2HB PRO 66 -17.261 14.052 14.052 21 1HG PRO 66 2HG PRO 66 -14.519 12.892 12.892 22 2HG PRO 66 1HG PRO 66 -15.892 12.391 12.391 23 1HD PRO 66 1HD PRO 66 -15.204 11.005 11.005 24 2HD PRO 66 2HD PRO 66 -16.910 11.243 11.243 25 H HIS 67 H HIS 67 -14.057 14.396 14.396 26 HA HIS 67 HA HIS 67 -13.762 16.261 16.261 27 1HB HIS 67 2HB HIS 67 -13.196 16.805 16.805 28 2HB HIS 67 1HB HIS 67 -12.207 17.575 17.575 29 HD1 HIS 67 HD1 HIS 67 -15.562 17.730 17.730 30 HD2 HIS 67 HD2 HIS 67 -13.579 19.408 19.408 31 HE1 HIS 67 HE1 HIS 67 -16.965 19.694 19.694 32 H GLN 68 H GLN 68 -11.500 15.519 15.519 33 HA GLN 68 HA GLN 68 -9.420 14.870 14.870 34 1HB GLN 68 1HB GLN 68 -9.659 14.590 14.590 35 2HB GLN 68 2HB GLN 68 -8.203 14.158 14.158 36 1HG GLN 68 1HG GLN 68 -7.533 16.264 16.264 37 2HG GLN 68 2HG GLN 68 -9.081 16.799 16.799 38 1HE2 GLN 68 2HE2 GLN 68 -8.405 18.413 18.413 39 2HE2 GLN 68 1HE2 GLN 68 -7.517 18.264 18.264 40 H TRP 69 H TRP 69 -11.800 13.039 13.039 41 HA TRP 69 HA TRP 69 -10.667 10.503 10.503 42 1HB TRP 69 1HB TRP 69 -13.383 11.627 11.627 43 2HB TRP 69 2HB TRP 69 -13.319 9.971 9.971 44 HD1 TRP 69 HD1 TRP 69 -10.610 10.730 10.730 45 HE1 TRP 69 HE1 TRP 69 -11.176 9.672 9.672 46 HE3 TRP 69 HE3 TRP 69 -15.476 9.440 9.440 47 HZ2 TRP 69 2HZ TRP 69 -13.394 8.451 8.451 48 HZ3 TRP 69 HZ3 TRP 69 -16.751 8.332 8.332 49 HH2 TRP 69 HH2 TRP 69 -15.730 7.848 7.848 50 H GLN 70 H GLN 70 -12.618 12.086 12.086 51 HA GLN 70 HA GLN 70 -12.884 10.039 10.039 52 1HB GLN 70 1HB GLN 70 -13.286 11.675 11.675 53 2HB GLN 70 2HB GLN 70 -13.796 12.406 12.406 54 1HG GLN 70 2HG GLN 70 -12.611 14.160 14.160 55 2HG GLN 70 1HG GLN 70 -11.223 13.237 13.237 56 1HE2 GLN 70 2HE2 GLN 70 -10.095 14.125 14.125 57 2HE2 GLN 70 1HE2 GLN 70 -10.195 14.696 14.696 58 H ALA 71 H ALA 71 -10.061 11.991 11.991 59 HA ALA 71 HA ALA 71 -8.567 11.039 11.039 60 1HB ALA 71 3HB ALA 71 -7.933 12.752 12.752 61 2HB ALA 71 2HB ALA 71 -6.644 12.147 12.147 62 3HB ALA 71 1HB ALA 71 -7.917 13.162 13.162 63 H ASP 72 H ASP 72 -7.767 10.793 10.793 64 HA ASP 72 HA ASP 72 -5.871 8.838 8.838 65 1HB ASP 72 2HB ASP 72 -7.894 8.941 8.941 66 2HB ASP 72 1HB ASP 72 -6.215 8.415 8.415 67 H GLU 73 H GLU 73 -9.345 8.422 8.422 68 HA GLU 73 HA GLU 73 -9.410 5.629 5.629 69 1HB GLU 73 1HB GLU 73 -11.650 5.702 5.702 70 2HB GLU 73 2HB GLU 73 -11.387 7.172 7.172 71 1HG GLU 73 1HG GLU 73 -11.800 8.468 8.468 72 2HG GLU 73 2HG GLU 73 -10.738 7.532 7.532 73 H GLU 74 H GLU 74 -8.573 7.577 7.577 74 HA GLU 74 HA GLU 74 -8.600 5.230 5.230 75 1HB GLU 74 1HB GLU 74 -8.833 8.146 8.146 76 2HB GLU 74 2HB GLU 74 -7.882 7.287 7.287 77 1HG GLU 74 2HG GLU 74 -9.851 5.701 5.701 78 2HG GLU 74 1HG GLU 74 -10.765 6.887 6.887 79 H ALA 75 H ALA 75 -6.497 7.685 7.685 80 HA ALA 75 HA ALA 75 -4.166 7.229 7.229 81 1HB ALA 75 1HB ALA 75 -4.779 8.251 8.251 82 2HB ALA 75 3HB ALA 75 -3.111 7.790 7.790 83 3HB ALA 75 2HB ALA 75 -3.906 9.012 9.012 84 H VAL 76 H VAL 76 -5.123 5.695 5.695 85 HA VAL 76 HA VAL 76 -3.003 3.940 3.940 86 HB VAL 76 HB VAL 76 -4.517 2.561 2.561 87 1HG1 VAL 76 1HG2 VAL 76 -4.547 5.529 5.529 88 2HG1 VAL 76 3HG2 VAL 76 -5.051 4.348 4.348 89 3HG1 VAL 76 2HG2 VAL 76 -3.388 4.353 4.353 90 1HG2 VAL 76 2HG1 VAL 76 -6.546 4.128 4.128 91 2HG2 VAL 76 1HG1 VAL 76 -6.655 2.534 2.534 92 3HG2 VAL 76 3HG1 VAL 76 -6.800 3.983 3.983 93 H ARG 77 H ARG 77 -6.014 3.611 3.611 94 HA ARG 77 HA ARG 77 -5.794 0.897 0.897 95 1HB ARG 77 1HB ARG 77 -7.540 3.004 3.004 96 2HB ARG 77 2HB ARG 77 -6.921 2.475 2.475 97 1HG ARG 77 1HG ARG 77 -7.497 0.091 0.091 98 2HG ARG 77 2HG ARG 77 -8.701 1.100 1.100 99 1HD ARG 77 2HD ARG 77 -9.543 1.871 1.871 100 2HD ARG 77 1HD ARG 77 -8.272 1.001 1.001 101 HE ARG 77 HE ARG 77 -9.506 -0.912 -0.912 102 1HH1 ARG 77 1HH2 ARG 77 -10.707 1.441 1.441 103 2HH1 ARG 77 2HH2 ARG 77 -12.078 0.488 0.488 104 1HH2 ARG 77 2HH1 ARG 77 -11.306 -2.176 -2.176 105 2HH2 ARG 77 1HH1 ARG 77 -12.418 -1.569 -1.569 106 H SER 78 H SER 78 -4.365 3.782 3.782 107 HA SER 78 HA SER 78 -3.174 2.301 2.301 108 1HB SER 78 1HB SER 78 -4.045 4.616 4.616 109 2HB SER 78 2HB SER 78 -2.796 5.206 5.206 110 HG SER 78 HG SER 78 -1.723 5.363 5.363 111 H ALA 79 H ALA 79 -2.410 3.014 3.014 112 HA ALA 79 HA ALA 79 -0.579 2.462 2.462 113 1HB ALA 79 3HB ALA 79 -0.262 0.641 0.641 114 2HB ALA 79 2HB ALA 79 0.866 1.726 1.726 115 3HB ALA 79 1HB ALA 79 1.198 1.180 1.180 116 H THR 80 H THR 80 -0.677 4.864 4.864 117 HA THR 80 HA THR 80 1.881 5.979 5.979 118 HB THR 80 HB THR 80 1.628 6.154 6.154 119 HG1 THR 80 1HG THR 80 2.036 8.244 8.244 120 1HG2 THR 80 3HG2 THR 80 -1.131 6.514 6.514 121 2HG2 THR 80 2HG2 THR 80 -0.550 7.902 7.902 122 3HG2 THR 80 1HG2 THR 80 -0.327 6.270 6.270 123 H CYS 81 H CYS 81 0.168 5.855 5.855 124 HA CYS 81 HA CYS 81 -0.894 8.591 8.591 125 1HB CYS 81 2HB CYS 81 -2.138 6.109 6.109 126 2HB CYS 81 1HB CYS 81 -1.807 6.830 6.830 127 HG CYS 81 HG CYS 81 -3.643 8.397 8.397 128 H SER 82 H SER 82 -1.037 9.059 9.059 129 HA SER 82 HA SER 82 1.018 8.108 8.108 130 1HB SER 82 2HB SER 82 2.234 10.496 10.496 131 2HB SER 82 1HB SER 82 2.750 9.137 9.137 132 HG SER 82 HG SER 82 0.769 10.890 10.890 133 H PHE 83 H PHE 83 0.325 8.386 8.386 134 HA PHE 83 HA PHE 83 -1.232 10.808 10.808 135 1HB PHE 83 2HB PHE 83 -2.091 8.164 8.164 136 2HB PHE 83 1HB PHE 83 -1.897 8.483 8.483 137 HD1 PHE 83 HD1 PHE 83 -2.947 10.792 10.792 138 HD2 PHE 83 HD2 PHE 83 -4.064 8.681 8.681 139 HE1 PHE 83 HE1 PHE 83 -5.103 11.977 11.977 140 HE2 PHE 83 HE2 PHE 83 -6.224 9.862 9.862 141 HZ PHE 83 HZ PHE 83 -6.745 11.512 11.512 142 H SER 84 H SER 84 -0.615 11.925 11.925 143 HA SER 84 HA SER 84 1.786 11.382 11.382 144 1HB SER 84 2HB SER 84 0.690 13.637 13.637 145 2HB SER 84 1HB SER 84 -0.445 13.154 13.154 146 HG SER 84 HG SER 84 1.910 14.228 14.228 147 H VAL 85 H VAL 85 2.099 11.036 11.036 148 HA VAL 85 HA VAL 85 0.073 10.058 10.058 149 HB VAL 85 HB VAL 85 -0.032 8.186 8.186 150 1HG1 VAL 85 1HG2 VAL 85 2.922 8.051 8.051 151 2HG1 VAL 85 3HG2 VAL 85 2.015 6.647 6.647 152 3HG1 VAL 85 2HG2 VAL 85 2.064 8.111 8.111 153 1HG2 VAL 85 2HG1 VAL 85 -0.363 7.814 7.814 154 2HG2 VAL 85 1HG1 VAL 85 0.224 6.386 6.386 155 3HG2 VAL 85 3HG1 VAL 85 1.335 7.347 7.347 156 H LYS 86 H LYS 86 0.885 9.140 9.140 157 HA LYS 86 HA LYS 86 3.672 9.929 9.929 158 1HB LYS 86 2HB LYS 86 1.267 9.768 9.768 159 2HB LYS 86 1HB LYS 86 2.908 9.989 9.989 160 1HG LYS 86 1HG LYS 86 2.708 11.960 11.960 161 2HG LYS 86 2HG LYS 86 1.076 11.906 11.906 162 1HD LYS 86 2HD LYS 86 2.775 11.731 11.731 163 2HD LYS 86 1HD LYS 86 3.510 12.946 12.946 164 1HE LYS 86 2HE LYS 86 1.448 14.200 14.200 165 2HE LYS 86 1HE LYS 86 0.620 12.946 12.946 166 1HZ LYS 86 1HZ LYS 86 2.988 13.989 13.989 167 2HZ LYS 86 3HZ LYS 86 1.762 15.135 15.135 168 3HZ LYS 86 2HZ LYS 86 1.448 13.707 13.707 169 H TYR 87 H TYR 87 3.878 7.675 7.675 170 HA TYR 87 HA TYR 87 3.167 5.315 5.315 171 1HB TYR 87 1HB TYR 87 4.071 5.398 5.398 172 2HB TYR 87 2HB TYR 87 5.640 5.893 5.893 173 HD1 TYR 87 HD1 TYR 87 3.229 3.190 3.190 174 HD2 TYR 87 HD2 TYR 87 7.188 4.212 4.212 175 HE1 TYR 87 HE1 TYR 87 3.887 0.830 0.830 176 HE2 TYR 87 HE2 TYR 87 7.857 1.854 1.854 177 HH TYR 87 HH2 TYR 87 7.173 -0.173 -0.173 178 H LEU 88 H LEU 88 3.657 4.512 4.512 179 HA LEU 88 HA LEU 88 5.515 5.632 5.632 180 1HB LEU 88 1HB LEU 88 3.924 3.111 3.111 181 2HB LEU 88 2HB LEU 88 5.212 3.243 3.243 182 HG LEU 88 HG LEU 88 4.161 5.170 5.170 183 1HD1 LEU 88 3HD2 LEU 88 2.094 4.913 4.913 184 2HD1 LEU 88 2HD2 LEU 88 1.981 5.988 5.988 185 3HD1 LEU 88 1HD2 LEU 88 3.254 6.226 6.226 186 1HD2 LEU 88 2HD1 LEU 88 2.773 2.613 2.613 187 2HD2 LEU 88 1HD1 LEU 88 3.179 3.519 3.519 188 3HD2 LEU 88 3HD1 LEU 88 1.736 3.936 3.936 189 H GLY 89 H GLY 89 5.723 2.783 2.783 190 1HA GLY 89 2HA GLY 89 8.113 2.644 2.644 191 2HA GLY 89 1HA GLY 89 8.555 2.488 2.488 192 H CYS 90 H CYS 90 9.491 0.421 0.421 193 HA CYS 90 HA CYS 90 7.441 -1.668 -1.668 194 1HB CYS 90 2HB CYS 90 10.261 -2.361 -2.361 195 2HB CYS 90 1HB CYS 90 8.783 -2.867 -2.867 196 HG CYS 90 HG CYS 90 10.189 -0.153 -0.153 197 H VAL 91 H VAL 91 7.521 -3.493 -3.493 198 HA VAL 91 HA VAL 91 9.523 -3.572 -3.572 199 HB VAL 91 HB VAL 91 6.941 -2.632 -2.632 200 1HG1 VAL 91 1HG2 VAL 91 6.234 -5.085 -5.085 201 2HG1 VAL 91 3HG2 VAL 91 7.079 -5.234 -5.234 202 3HG1 VAL 91 2HG2 VAL 91 5.725 -4.116 -4.116 203 1HG2 VAL 91 2HG1 VAL 91 9.174 -2.383 -2.383 204 2HG2 VAL 91 1HG1 VAL 91 7.668 -2.249 -2.249 205 3HG2 VAL 91 3HG1 VAL 91 8.603 -3.743 -3.743 206 H GLU 92 H GLU 92 9.172 -5.719 -5.719 207 HA GLU 92 HA GLU 92 8.998 -7.843 -7.843 208 1HB GLU 92 2HB GLU 92 10.145 -9.180 -9.180 209 2HB GLU 92 1HB GLU 92 11.084 -7.969 -7.969 210 1HG GLU 92 2HG GLU 92 9.675 -7.033 -7.033 211 2HG GLU 92 1HG GLU 92 10.998 -8.171 -8.171 212 H VAL 93 H VAL 93 7.806 -9.729 -9.729 213 HA VAL 93 HA VAL 93 6.097 -9.887 -9.887 214 HB VAL 93 HB VAL 93 4.116 -10.429 -10.429 215 1HG1 VAL 93 1HG1 VAL 93 4.645 -8.256 -8.256 216 2HG1 VAL 93 3HG1 VAL 93 4.901 -7.559 -7.559 217 3HG1 VAL 93 2HG1 VAL 93 3.337 -8.258 -8.258 218 1HG2 VAL 93 1HG2 VAL 93 5.633 -10.522 -10.522 219 2HG2 VAL 93 3HG2 VAL 93 4.079 -9.704 -9.704 220 3HG2 VAL 93 2HG2 VAL 93 5.556 -8.760 -8.760 221 H PHE 94 H PHE 94 4.919 -11.983 -11.983 222 HA PHE 94 HA PHE 94 6.716 -14.106 -14.106 223 1HB PHE 94 2HB PHE 94 4.115 -14.369 -14.369 224 2HB PHE 94 1HB PHE 94 5.458 -15.506 -15.506 225 HD1 PHE 94 HD2 PHE 94 7.592 -13.236 -13.236 226 HD2 PHE 94 HD1 PHE 94 4.085 -14.230 -14.230 227 HE1 PHE 94 HE2 PHE 94 8.547 -12.166 -12.166 228 HE2 PHE 94 HE1 PHE 94 5.034 -13.161 -13.161 229 HZ PHE 94 HZ PHE 94 7.268 -12.127 -12.127 230 H GLU 95 H GLU 95 4.164 -12.629 -12.629 231 HA GLU 95 HA GLU 95 3.887 -14.858 -14.858 232 1HB GLU 95 1HB GLU 95 1.713 -13.983 -13.983 233 2HB GLU 95 2HB GLU 95 1.263 -14.319 -14.319 234 1HG GLU 95 2HG GLU 95 2.529 -16.198 -16.198 235 2HG GLU 95 1HG GLU 95 0.918 -16.297 -16.297 236 H SER 96 H SER 96 3.872 -14.112 -14.112 237 HA SER 96 HA SER 96 3.396 -11.260 -11.260 238 1HB SER 96 1HB SER 96 4.290 -11.915 -11.915 239 2HB SER 96 2HB SER 96 5.420 -11.837 -11.837 240 HG SER 96 HG SER 96 5.407 -13.788 -13.788 241 H ARG 97 H ARG 97 1.244 -13.239 -13.239 242 HA ARG 97 HA ARG 97 -0.396 -12.486 -12.486 243 1HB ARG 97 2HB ARG 97 0.670 -14.723 -14.723 244 2HB ARG 97 1HB ARG 97 -0.235 -15.386 -15.386 245 1HG ARG 97 2HG ARG 97 -2.112 -14.013 -14.013 246 2HG ARG 97 1HG ARG 97 -1.087 -14.871 -14.871 247 1HD ARG 97 2HD ARG 97 -1.933 -16.398 -16.398 248 2HD ARG 97 1HD ARG 97 -3.206 -15.983 -15.983 249 HE ARG 97 HE ARG 97 -0.968 -17.055 -17.055 250 1HH1 ARG 97 1HH1 ARG 97 -3.637 -17.980 -17.980 251 2HH1 ARG 97 2HH1 ARG 97 -3.723 -19.593 -19.593 252 1HH2 ARG 97 2HH2 ARG 97 -1.071 -19.174 -19.174 253 2HH2 ARG 97 1HH2 ARG 97 -2.263 -20.273 -20.273 254 H GLY 98 H GLY 98 -2.626 -12.532 -12.532 255 1HA GLY 98 1HA GLY 98 -4.448 -13.273 -13.273 256 2HA GLY 98 2HA GLY 98 -3.335 -13.079 -13.079 257 H MET 99 H MET 99 -4.614 -11.635 -11.635 258 HA MET 99 HA MET 99 -4.579 -8.915 -8.915 259 1HB MET 99 2HB MET 99 -6.859 -10.224 -10.224 260 2HB MET 99 1HB MET 99 -7.089 -9.797 -9.797 261 1HG MET 99 1HG MET 99 -6.199 -7.532 -7.532 262 2HG MET 99 2HG MET 99 -7.674 -8.238 -8.238 263 1HE MET 99 2HE MET 99 -6.231 -5.813 -5.813 264 2HE MET 99 1HE MET 99 -7.560 -5.037 -5.037 265 3HE MET 99 3HE MET 99 -6.462 -6.114 -6.114 266 H GLN 100 H GLN 100 -5.395 -10.995 -10.995 267 HA GLN 100 HA GLN 100 -5.385 -9.102 -9.102 268 1HB GLN 100 2HB GLN 100 -5.137 -11.988 -11.988 269 2HB GLN 100 1HB GLN 100 -4.164 -11.344 -11.344 270 1HG GLN 100 2HG GLN 100 -6.617 -10.030 -10.030 271 2HG GLN 100 1HG GLN 100 -7.009 -11.713 -11.713 272 1HE2 GLN 100 2HE2 GLN 100 -6.797 -12.349 -12.349 273 2HE2 GLN 100 1HE2 GLN 100 -7.754 -12.322 -12.322 274 H VAL 101 H VAL 101 -2.728 -10.429 -10.429 275 HA VAL 101 HA VAL 101 -0.645 -9.741 -9.741 276 HB VAL 101 HB VAL 101 -0.487 -10.035 -10.035 277 1HG1 VAL 101 2HG1 VAL 101 1.538 -9.751 -9.751 278 2HG1 VAL 101 1HG1 VAL 101 1.906 -10.799 -10.799 279 3HG1 VAL 101 3HG1 VAL 101 1.534 -9.096 -9.096 280 1HG2 VAL 101 1HG2 VAL 101 -1.026 -11.967 -11.967 281 2HG2 VAL 101 3HG2 VAL 101 -0.868 -12.202 -12.202 282 3HG2 VAL 101 2HG2 VAL 101 0.557 -12.292 -12.292 283 H CYS 102 H CYS 102 -2.284 -8.042 -8.042 284 HA CYS 102 HA CYS 102 -0.523 -5.820 -5.820 285 1HB CYS 102 2HB CYS 102 -3.450 -5.911 -5.911 286 2HB CYS 102 1HB CYS 102 -2.260 -4.734 -4.734 287 HG CYS 102 HG CYS 102 -1.212 -6.492 -6.492 288 H GLU 103 H GLU 103 -3.280 -6.648 -6.648 289 HA GLU 103 HA GLU 103 -3.786 -4.067 -4.067 290 1HB GLU 103 1HB GLU 103 -4.654 -6.815 -6.815 291 2HB GLU 103 2HB GLU 103 -4.570 -5.826 -5.826 292 1HG GLU 103 2HG GLU 103 -5.830 -4.208 -4.208 293 2HG GLU 103 1HG GLU 103 -6.509 -5.813 -5.813 294 H GLU 104 H GLU 104 -1.704 -6.735 -6.735 295 HA GLU 104 HA GLU 104 -0.824 -5.372 -5.372 296 1HB GLU 104 1HB GLU 104 0.621 -7.295 -7.295 297 2HB GLU 104 2HB GLU 104 -1.000 -7.836 -7.836 298 1HG GLU 104 1HG GLU 104 -0.347 -8.424 -8.424 299 2HG GLU 104 2HG GLU 104 1.203 -7.600 -7.600 300 H ALA 105 H ALA 105 0.309 -5.910 -5.910 301 HA ALA 105 HA ALA 105 2.972 -5.118 -5.118 302 1HB ALA 105 1HB ALA 105 1.929 -6.149 -6.149 303 2HB ALA 105 3HB ALA 105 1.236 -4.571 -4.571 304 3HB ALA 105 2HB ALA 105 2.987 -4.777 -4.777 305 H LEU 106 H LEU 106 0.195 -3.137 -3.137 306 HA LEU 106 HA LEU 106 1.419 -0.681 -0.681 307 1HB LEU 106 1HB LEU 106 -1.128 -1.560 -1.560 308 2HB LEU 106 2HB LEU 106 -1.255 -0.679 -0.679 309 HG LEU 106 HG LEU 106 0.025 0.658 0.658 310 1HD1 LEU 106 1HD1 LEU 106 -2.176 -0.451 -0.451 311 2HD1 LEU 106 3HD1 LEU 106 -2.946 0.710 0.710 312 3HD1 LEU 106 2HD1 LEU 106 -2.003 1.279 1.279 313 1HD2 LEU 106 2HD2 LEU 106 -1.038 1.372 1.372 314 2HD2 LEU 106 1HD2 LEU 106 0.091 2.239 2.239 315 3HD2 LEU 106 3HD2 LEU 106 -1.646 2.404 2.404 316 H LYS 107 H LYS 107 0.076 -2.280 -2.280 317 HA LYS 107 HA LYS 107 0.451 -0.210 -0.210 318 1HB LYS 107 2HB LYS 107 -0.861 -2.132 -2.132 319 2HB LYS 107 1HB LYS 107 0.501 -3.212 -3.212 320 1HG LYS 107 1HG LYS 107 0.642 -1.047 -1.047 321 2HG LYS 107 2HG LYS 107 -0.158 -2.581 -2.581 322 1HD LYS 107 2HD LYS 107 2.332 -3.164 -3.164 323 2HD LYS 107 1HD LYS 107 2.622 -1.975 -1.975 324 1HE LYS 107 2HE LYS 107 0.854 -4.281 -4.281 325 2HE LYS 107 1HE LYS 107 2.588 -4.575 -4.575 326 1HZ LYS 107 1HZ LYS 107 1.324 -2.549 -2.549 327 2HZ LYS 107 3HZ LYS 107 1.890 -4.060 -4.060 328 3HZ LYS 107 2HZ LYS 107 2.975 -2.905 -2.905 329 H VAL 108 H VAL 108 2.642 -2.704 -2.704 330 HA VAL 108 HA VAL 108 4.766 -2.153 -2.153 331 HB VAL 108 HB VAL 108 5.158 -3.256 -3.256 332 1HG1 VAL 108 1HG1 VAL 108 6.569 -3.477 -3.477 333 2HG1 VAL 108 3HG1 VAL 108 6.795 -4.691 -4.691 334 3HG1 VAL 108 2HG1 VAL 108 7.215 -3.007 -3.007 335 1HG2 VAL 108 1HG2 VAL 108 3.463 -4.324 -4.324 336 2HG2 VAL 108 3HG2 VAL 108 3.735 -4.908 -4.908 337 3HG2 VAL 108 2HG2 VAL 108 4.808 -5.415 -5.415 338 H LEU 109 H LEU 109 4.016 -1.033 -1.033 339 HA LEU 109 HA LEU 109 6.323 0.389 0.389 340 1HB LEU 109 1HB LEU 109 3.454 0.785 0.785 341 2HB LEU 109 2HB LEU 109 4.670 1.939 1.939 342 HG LEU 109 HG LEU 109 4.397 0.446 0.446 343 1HD1 LEU 109 1HD2 LEU 109 6.782 0.921 0.921 344 2HD1 LEU 109 3HD2 LEU 109 6.766 -0.794 -0.794 345 3HD1 LEU 109 2HD2 LEU 109 6.555 -0.284 -0.284 346 1HD2 LEU 109 3HD1 LEU 109 3.238 -1.305 -1.305 347 2HD2 LEU 109 2HD1 LEU 109 4.349 -1.922 -1.922 348 3HD2 LEU 109 1HD1 LEU 109 4.833 -1.889 -1.889 349 H ARG 110 H ARG 110 3.846 1.084 1.084 350 HA ARG 110 HA ARG 110 4.667 3.865 3.865 351 1HB ARG 110 1HB ARG 110 2.259 2.483 2.483 352 2HB ARG 110 2HB ARG 110 2.795 2.951 2.951 353 1HG ARG 110 2HG ARG 110 2.933 5.042 5.042 354 2HG ARG 110 1HG ARG 110 1.318 4.521 4.521 355 1HD ARG 110 1HD ARG 110 3.361 5.158 5.158 356 2HD ARG 110 2HD ARG 110 2.510 6.469 6.469 357 HE ARG 110 HE ARG 110 0.748 4.455 4.455 358 1HH1 ARG 110 1HH1 ARG 110 2.556 7.319 7.319 359 2HH1 ARG 110 2HH1 ARG 110 1.524 7.757 7.757 360 1HH2 ARG 110 1HH2 ARG 110 -0.617 5.021 5.021 361 2HH2 ARG 110 2HH2 ARG 110 -0.280 6.450 6.450 362 H GLN 111 H GLN 111 4.532 0.910 0.910 363 HA GLN 111 HA GLN 111 5.798 2.097 2.097 364 1HB GLN 111 2HB GLN 111 5.780 -0.083 -0.083 365 2HB GLN 111 1HB GLN 111 4.287 0.089 0.089 366 1HG GLN 111 2HG GLN 111 4.764 -1.814 -1.814 367 2HG GLN 111 1HG GLN 111 6.121 -1.002 -1.002 368 1HE2 GLN 111 2HE2 GLN 111 6.748 -3.459 -3.459 369 2HE2 GLN 111 1HE2 GLN 111 5.194 -2.765 -2.765 370 H SER 112 H SER 112 7.058 1.139 1.139 371 HA SER 112 HA SER 112 9.698 0.592 0.592 372 1HB SER 112 1HB SER 112 8.271 -0.667 -0.667 373 2HB SER 112 2HB SER 112 9.628 0.158 0.158 374 HG SER 112 HG SER 112 9.766 -1.659 -1.659 375 H ARG 113 H ARG 113 11.542 1.345 1.345 376 HA ARG 113 HA ARG 113 11.652 4.112 4.112 377 1HB ARG 113 2HB ARG 113 13.631 3.881 3.881 378 2HB ARG 113 1HB ARG 113 13.652 2.721 2.721 379 1HG ARG 113 2HG ARG 113 14.122 1.212 1.212 380 2HG ARG 113 1HG ARG 113 12.411 1.314 1.314 381 1HD ARG 113 1HD ARG 113 13.657 1.574 1.574 382 2HD ARG 113 2HD ARG 113 13.000 3.155 3.155 383 HE ARG 113 HE ARG 113 15.489 3.132 3.132 384 1HH1 ARG 113 1HH1 ARG 113 14.225 2.628 2.628 385 2HH1 ARG 113 2HH1 ARG 113 15.640 3.230 3.230 386 1HH2 ARG 113 1HH2 ARG 113 17.360 3.928 3.928 387 2HH2 ARG 113 2HH2 ARG 113 17.424 3.970 3.970 388 H ARG 114 H ARG 114 10.222 1.960 1.960 389 HA ARG 114 HA ARG 114 10.214 3.238 3.238 390 1HB ARG 114 2HB ARG 114 7.912 1.905 1.905 391 2HB ARG 114 1HB ARG 114 7.840 2.394 2.394 392 1HG ARG 114 2HG ARG 114 9.916 0.510 0.510 393 2HG ARG 114 1HG ARG 114 8.375 -0.024 -0.024 394 1HD ARG 114 1HD ARG 114 9.067 0.288 0.288 395 2HD ARG 114 2HD ARG 114 9.782 1.854 1.854 396 HE ARG 114 HE ARG 114 11.302 -0.400 -0.400 397 1HH1 ARG 114 1HH1 ARG 114 10.722 1.768 1.768 398 2HH1 ARG 114 2HH1 ARG 114 12.283 1.523 1.523 399 1HH2 ARG 114 1HH2 ARG 114 13.362 -0.730 -0.730 400 2HH2 ARG 114 2HH2 ARG 114 13.785 0.104 0.104 401 H ARG 115 H ARG 115 9.955 5.323 5.323 402 HA ARG 115 HA ARG 115 7.848 6.831 6.831 403 1HB ARG 115 2HB ARG 115 9.998 7.692 7.692 404 2HB ARG 115 1HB ARG 115 10.530 7.758 7.758 405 1HG ARG 115 2HG ARG 115 8.649 9.433 9.433 406 2HG ARG 115 1HG ARG 115 8.541 9.516 9.516 407 1HD ARG 115 2HD ARG 115 10.836 10.237 10.237 408 2HD ARG 115 1HD ARG 115 11.054 10.024 10.024 409 HE ARG 115 HE ARG 115 8.957 11.812 11.812 410 1HH1 ARG 115 1HH1 ARG 115 12.369 11.641 11.641 411 2HH1 ARG 115 2HH1 ARG 115 12.613 13.351 13.351 412 1HH2 ARG 115 1HH2 ARG 115 9.267 14.068 14.068 413 2HH2 ARG 115 2HH2 ARG 115 10.850 14.731 14.731 414 HA PRO 116 HA PRO 116 5.661 7.546 7.546 415 1HB PRO 116 2HB PRO 116 5.578 10.380 10.380 416 2HB PRO 116 1HB PRO 116 4.261 9.337 9.337 417 1HG PRO 116 1HG PRO 116 4.594 9.836 9.836 418 2HG PRO 116 2HG PRO 116 4.122 8.220 8.220 419 1HD PRO 116 2HD PRO 116 6.764 9.193 9.193 420 2HD PRO 116 1HD PRO 116 6.002 7.602 7.602 421 H VAL 117 H VAL 117 5.887 8.540 8.540 422 HA VAL 117 HA VAL 117 8.355 10.102 10.102 423 HB VAL 117 HB VAL 117 8.637 7.748 7.748 424 1HG1 VAL 117 3HG2 VAL 117 6.129 7.808 7.808 425 2HG1 VAL 117 2HG2 VAL 117 6.925 8.274 8.274 426 3HG1 VAL 117 1HG2 VAL 117 7.342 6.750 6.750 427 1HG2 VAL 117 1HG1 VAL 117 9.196 10.167 10.167 428 2HG2 VAL 117 3HG1 VAL 117 10.163 8.698 8.698 429 3HG2 VAL 117 2HG1 VAL 117 8.946 8.852 8.852 430 H ARG 118 H ARG 118 7.745 12.085 12.085 431 HA ARG 118 HA ARG 118 5.268 12.684 12.684 432 1HB ARG 118 2HB ARG 118 6.540 14.232 14.232 433 2HB ARG 118 1HB ARG 118 7.710 14.454 14.454 434 1HG ARG 118 2HG ARG 118 5.173 14.938 14.938 435 2HG ARG 118 1HG ARG 118 5.226 15.786 15.786 436 1HD ARG 118 1HD ARG 118 7.252 16.921 16.921 437 2HD ARG 118 2HD ARG 118 7.351 15.987 15.987 438 HE ARG 118 HE ARG 118 4.898 17.383 17.383 439 1HH1 ARG 118 1HH1 ARG 118 8.308 17.886 17.886 440 2HH1 ARG 118 2HH1 ARG 118 8.088 19.291 19.291 441 1HH2 ARG 118 1HH2 ARG 118 4.598 19.232 19.232 442 2HH2 ARG 118 2HH2 ARG 118 5.979 20.056 20.056 443 H GLY 119 H GLY 119 5.699 11.044 11.044 444 1HA GLY 119 2HA GLY 119 7.142 12.363 12.363 445 2HA GLY 119 1HA GLY 119 7.234 10.632 10.632 446 H LEU 120 H LEU 120 6.560 10.619 10.619 447 HA LEU 120 HA LEU 120 3.635 10.849 10.849 448 1HB LEU 120 1HB LEU 120 4.717 12.496 12.496 449 2HB LEU 120 2HB LEU 120 5.834 11.307 11.307 450 HG LEU 120 HG LEU 120 3.930 12.071 12.071 451 1HD1 LEU 120 3HD1 LEU 120 5.301 9.684 9.684 452 2HD1 LEU 120 2HD1 LEU 120 3.616 9.191 9.191 453 3HD1 LEU 120 1HD1 LEU 120 4.353 10.228 10.228 454 1HD2 LEU 120 1HD2 LEU 120 2.259 11.780 11.780 455 2HD2 LEU 120 3HD2 LEU 120 1.777 11.274 11.274 456 3HD2 LEU 120 2HD2 LEU 120 2.290 10.071 10.071 457 H LEU 121 H LEU 121 2.644 8.941 8.941 458 HA LEU 121 HA LEU 121 4.139 6.544 6.544 459 1HB LEU 121 1HB LEU 121 2.436 6.265 6.265 460 2HB LEU 121 2HB LEU 121 1.260 7.125 7.125 461 HG LEU 121 HG LEU 121 0.941 5.280 5.280 462 1HD1 LEU 121 3HD1 LEU 121 3.633 4.605 4.605 463 2HD1 LEU 121 2HD1 LEU 121 2.560 3.207 3.207 464 3HD1 LEU 121 1HD1 LEU 121 2.726 4.113 4.113 465 1HD2 LEU 121 2HD2 LEU 121 1.161 4.479 4.479 466 2HD2 LEU 121 1HD2 LEU 121 -0.281 4.891 4.891 467 3HD2 LEU 121 3HD2 LEU 121 0.557 3.369 3.369 468 H HIS 122 H HIS 122 4.904 7.016 7.016 469 HA HIS 122 HA HIS 122 3.249 7.673 7.673 470 1HB HIS 122 2HB HIS 122 5.998 7.336 7.336 471 2HB HIS 122 1HB HIS 122 5.594 6.188 6.188 472 HD1 HIS 122 HD1 HIS 122 3.930 7.516 7.516 473 HD2 HIS 122 HD2 HIS 122 6.738 9.671 9.671 474 HE1 HIS 122 HE1 HIS 122 4.388 9.622 9.622 475 H VAL 123 H VAL 123 1.463 6.183 6.183 476 HA VAL 123 HA VAL 123 1.854 3.379 3.379 477 HB VAL 123 HB VAL 123 -0.448 3.125 3.125 478 1HG1 VAL 123 2HG2 VAL 123 0.530 5.203 5.203 479 2HG1 VAL 123 1HG2 VAL 123 -1.207 5.312 5.312 480 3HG1 VAL 123 3HG2 VAL 123 -0.502 3.818 3.818 481 1HG2 VAL 123 2HG1 VAL 123 -0.478 5.665 5.665 482 2HG2 VAL 123 1HG1 VAL 123 -1.474 4.223 4.223 483 3HG2 VAL 123 3HG1 VAL 123 -1.853 5.386 5.386 484 H SER 124 H SER 124 0.508 2.400 2.400 485 HA SER 124 HA SER 124 0.501 3.804 3.804 486 1HB SER 124 1HB SER 124 2.495 3.222 3.222 487 2HB SER 124 2HB SER 124 3.032 3.596 3.596 488 HG SER 124 HG SER 124 2.595 1.039 1.039 489 H GLY 125 H GLY 125 -1.041 1.808 1.808 490 1HA GLY 125 2HA GLY 125 -2.103 -0.229 -0.229 491 2HA GLY 125 1HA GLY 125 -2.204 0.342 0.342 492 H ASP 126 H ASP 126 0.783 -0.460 -0.460 493 HA ASP 126 HA ASP 126 1.035 -3.102 -3.102 494 1HB ASP 126 1HB ASP 126 1.385 -1.196 -1.196 495 2HB ASP 126 2HB ASP 126 3.025 -1.629 -1.629 496 H GLY 127 H GLY 127 2.636 -0.126 -0.126 497 1HA GLY 127 2HA GLY 127 4.294 -1.719 -1.719 498 2HA GLY 127 1HA GLY 127 5.159 -0.787 -0.787 499 H LEU 128 H LEU 128 4.112 -0.772 -0.772 500 HA LEU 128 HA LEU 128 3.614 2.094 2.094 501 1HB LEU 128 1HB LEU 128 3.888 0.292 0.292 502 2HB LEU 128 2HB LEU 128 2.920 1.742 1.742 503 HG LEU 128 HG LEU 128 2.191 -0.577 -0.577 504 1HD1 LEU 128 1HD1 LEU 128 2.239 -0.647 -0.647 505 2HD1 LEU 128 3HD1 LEU 128 0.713 -1.120 -1.120 506 3HD1 LEU 128 2HD1 LEU 128 2.202 -1.966 -1.966 507 1HD2 LEU 128 1HD2 LEU 128 0.801 1.667 1.667 508 2HD2 LEU 128 3HD2 LEU 128 0.812 1.268 1.268 509 3HD2 LEU 128 2HD2 LEU 128 -0.099 0.268 0.268 510 H ARG 129 H ARG 129 5.103 3.560 3.560 511 HA ARG 129 HA ARG 129 7.588 2.638 2.638 512 1HB ARG 129 1HB ARG 129 7.441 4.528 4.528 513 2HB ARG 129 2HB ARG 129 8.903 4.085 4.085 514 1HG ARG 129 1HG ARG 129 7.627 1.691 1.691 515 2HG ARG 129 2HG ARG 129 7.683 2.782 2.782 516 1HD ARG 129 1HD ARG 129 10.168 2.750 2.750 517 2HD ARG 129 2HD ARG 129 9.733 1.162 1.162 518 HE ARG 129 HE ARG 129 10.755 3.324 3.324 519 1HH1 ARG 129 1HH1 ARG 129 8.345 0.818 0.818 520 2HH1 ARG 129 2HH1 ARG 129 8.385 0.729 0.729 521 1HH2 ARG 129 1HH2 ARG 129 10.817 3.216 3.216 522 2HH2 ARG 129 2HH2 ARG 129 9.790 2.093 2.093 523 H VAL 130 H VAL 130 6.948 3.512 3.512 524 HA VAL 130 HA VAL 130 6.026 6.199 6.199 525 HB VAL 130 HB VAL 130 5.372 4.608 4.608 526 1HG1 VAL 130 1HG2 VAL 130 8.196 3.914 3.914 527 2HG1 VAL 130 3HG2 VAL 130 7.542 4.063 4.063 528 3HG1 VAL 130 2HG2 VAL 130 6.798 2.953 2.953 529 1HG2 VAL 130 2HG1 VAL 130 6.530 7.090 7.090 530 2HG2 VAL 130 1HG1 VAL 130 5.352 6.195 6.195 531 3HG2 VAL 130 3HG1 VAL 130 7.076 5.986 5.986 532 H VAL 131 H VAL 131 7.364 7.774 7.774 533 HA VAL 131 HA VAL 131 10.197 7.659 7.659 534 HB VAL 131 HB VAL 131 8.651 9.684 9.684 535 1HG1 VAL 131 1HG1 VAL 131 11.597 9.422 9.422 536 2HG1 VAL 131 3HG1 VAL 131 10.944 10.377 10.377 537 3HG1 VAL 131 2HG1 VAL 131 10.546 10.800 10.800 538 1HG2 VAL 131 3HG2 VAL 131 9.598 7.091 7.091 539 2HG2 VAL 131 2HG2 VAL 131 8.825 8.274 8.274 540 3HG2 VAL 131 1HG2 VAL 131 10.581 8.268 8.268 541 H ASP 132 H ASP 132 11.190 8.916 8.916 542 HA ASP 132 HA ASP 132 9.561 10.332 10.332 543 1HB ASP 132 1HB ASP 132 12.530 10.562 10.562 544 2HB ASP 132 2HB ASP 132 11.392 10.292 10.292 545 H ASP 133 H ASP 133 9.361 12.521 12.521 546 HA ASP 133 HA ASP 133 10.255 14.149 14.149 547 1HB ASP 133 2HB ASP 133 7.917 14.162 14.162 548 2HB ASP 133 1HB ASP 133 8.727 15.281 15.281 549 H GLU 134 H GLU 134 12.018 13.171 13.171 550 HA GLU 134 HA GLU 134 13.148 15.816 15.816 551 1HB GLU 134 1HB GLU 134 12.216 14.262 14.262 552 2HB GLU 134 2HB GLU 134 13.723 13.387 13.387 553 1HG GLU 134 2HG GLU 134 14.937 14.956 14.956 554 2HG GLU 134 1HG GLU 134 14.054 16.278 16.278 555 H THR 135 H THR 135 13.802 12.504 12.504 556 HA THR 135 HA THR 135 16.540 13.315 13.315 557 HB THR 135 HB THR 135 17.120 10.884 10.884 558 HG1 THR 135 1HG THR 135 15.051 10.001 10.001 559 1HG2 THR 135 2HG2 THR 135 17.276 12.656 12.656 560 2HG2 THR 135 1HG2 THR 135 15.993 11.682 11.682 561 3HG2 THR 135 3HG2 THR 135 17.547 10.944 10.944 562 H LYS 136 H LYS 136 13.533 12.195 12.195 563 HA LYS 136 HA LYS 136 12.781 11.688 11.688 564 1HB LYS 136 1HB LYS 136 15.368 13.046 13.046 565 2HB LYS 136 2HB LYS 136 14.673 12.116 12.116 566 1HG LYS 136 1HG LYS 136 13.928 14.342 14.342 567 2HG LYS 136 2HG LYS 136 12.552 13.413 13.413 568 1HD LYS 136 2HD LYS 136 12.631 14.380 14.380 569 2HD LYS 136 1HD LYS 136 14.336 14.812 14.812 570 1HE LYS 136 1HE LYS 136 12.447 16.071 16.071 571 2HE LYS 136 2HE LYS 136 12.363 16.598 16.598 572 1HZ LYS 136 1HZ LYS 136 15.003 16.447 16.447 573 2HZ LYS 136 3HZ LYS 136 13.987 17.716 17.716 574 3HZ LYS 136 2HZ LYS 136 14.415 17.531 17.531 575 H GLY 137 H GLY 137 13.939 9.644 9.644 576 1HA GLY 137 2HA GLY 137 15.225 7.913 7.913 577 2HA GLY 137 1HA GLY 137 15.301 7.667 7.667 578 H LEU 138 H LEU 138 14.629 5.445 5.445 579 HA LEU 138 HA LEU 138 11.699 5.332 5.332 580 1HB LEU 138 2HB LEU 138 13.566 4.247 4.247 581 2HB LEU 138 1HB LEU 138 13.042 2.882 2.882 582 HG LEU 138 HG LEU 138 11.484 2.712 2.712 583 1HD1 LEU 138 1HD1 LEU 138 10.336 3.564 3.564 584 2HD1 LEU 138 3HD1 LEU 138 9.999 4.997 4.997 585 3HD1 LEU 138 2HD1 LEU 138 9.412 3.418 3.418 586 1HD2 LEU 138 3HD2 LEU 138 12.214 5.512 5.512 587 2HD2 LEU 138 2HD2 LEU 138 12.037 4.146 4.146 588 3HD2 LEU 138 1HD2 LEU 138 10.609 5.004 5.004 589 H ILE 139 H ILE 139 10.635 4.237 4.237 590 HA ILE 139 HA ILE 139 12.244 2.911 2.911 591 HB ILE 139 HB ILE 139 9.322 3.516 3.516 592 1HG1 ILE 139 2HG1 ILE 139 11.620 5.429 5.429 593 2HG1 ILE 139 1HG1 ILE 139 10.360 5.613 5.613 594 1HG2 ILE 139 1HG2 ILE 139 11.231 2.307 2.307 595 2HG2 ILE 139 3HG2 ILE 139 11.023 3.921 3.921 596 3HG2 ILE 139 2HG2 ILE 139 9.628 2.860 2.860 597 1HD1 ILE 139 3HD1 ILE 139 9.901 5.603 5.603 598 2HD1 ILE 139 2HD1 ILE 139 10.007 7.042 7.042 599 3HD1 ILE 139 1HD1 ILE 139 8.693 5.889 5.889 600 H VAL 140 H VAL 140 9.902 2.295 2.295 601 HA VAL 140 HA VAL 140 10.028 -0.555 -0.555 602 HB VAL 140 HB VAL 140 7.394 0.791 0.791 603 1HG1 VAL 140 2HG1 VAL 140 8.177 -2.032 -2.032 604 2HG1 VAL 140 1HG1 VAL 140 6.517 -1.442 -1.442 605 3HG1 VAL 140 3HG1 VAL 140 7.373 -1.452 -1.452 606 1HG2 VAL 140 1HG2 VAL 140 8.462 -0.213 -0.213 607 2HG2 VAL 140 3HG2 VAL 140 8.141 1.468 1.468 608 3HG2 VAL 140 2HG2 VAL 140 6.807 0.322 0.322 609 H ASP 141 H ASP 141 11.526 0.193 0.193 610 HA ASP 141 HA ASP 141 10.304 0.607 0.607 611 1HB ASP 141 1HB ASP 141 12.522 0.093 0.093 612 2HB ASP 141 2HB ASP 141 12.649 1.212 1.212 613 H GLN 142 H GLN 142 8.631 -1.102 -1.102 614 HA GLN 142 HA GLN 142 9.555 -3.572 -3.572 615 1HB GLN 142 1HB GLN 142 9.492 -3.899 -3.899 616 2HB GLN 142 2HB GLN 142 7.756 -3.625 -3.625 617 1HG GLN 142 1HG GLN 142 7.665 -5.541 -5.541 618 2HG GLN 142 2HG GLN 142 9.330 -5.888 -5.888 619 1HE2 GLN 142 2HE2 GLN 142 7.270 -8.047 -8.047 620 2HE2 GLN 142 1HE2 GLN 142 7.704 -7.875 -7.875 621 H THR 143 H THR 143 7.949 -4.729 -4.729 622 HA THR 143 HA THR 143 5.999 -3.187 -3.187 623 HB THR 143 HB THR 143 5.684 -6.151 -6.151 624 HG1 THR 143 1HG THR 143 7.523 -6.532 -6.532 625 1HG2 THR 143 3HG2 THR 143 5.285 -4.046 -4.046 626 2HG2 THR 143 2HG2 THR 143 5.931 -5.573 -5.573 627 3HG2 THR 143 1HG2 THR 143 4.401 -5.547 -5.547 628 H ILE 144 H ILE 144 3.628 -4.239 -4.239 629 HA ILE 144 HA ILE 144 2.621 -4.210 -4.210 630 HB ILE 144 HB ILE 144 1.864 -2.371 -2.371 631 1HG1 ILE 144 1HG1 ILE 144 -0.330 -4.151 -4.151 632 2HG1 ILE 144 2HG1 ILE 144 0.660 -3.081 -3.081 633 1HG2 ILE 144 1HG2 ILE 144 1.550 -4.182 -4.182 634 2HG2 ILE 144 3HG2 ILE 144 -0.071 -4.282 -4.282 635 3HG2 ILE 144 2HG2 ILE 144 0.530 -2.743 -2.743 636 1HD1 ILE 144 3HD1 ILE 144 -1.032 -2.115 -2.115 637 2HD1 ILE 144 2HD1 ILE 144 -1.597 -2.201 -2.201 638 3HD1 ILE 144 1HD1 ILE 144 -0.242 -1.154 -1.154 639 H GLU 145 H GLU 145 2.814 -6.034 -6.034 640 HA GLU 145 HA GLU 145 0.709 -7.882 -7.882 641 1HB GLU 145 1HB GLU 145 1.288 -9.044 -9.044 642 2HB GLU 145 2HB GLU 145 1.014 -7.332 -7.332 643 1HG GLU 145 2HG GLU 145 3.684 -7.353 -7.353 644 2HG GLU 145 1HG GLU 145 3.448 -8.937 -8.937 645 H LYS 146 H LYS 146 4.134 -7.561 -7.561 646 HA LYS 146 HA LYS 146 4.478 -10.376 -10.376 647 1HB LYS 146 2HB LYS 146 6.257 -8.150 -8.150 648 2HB LYS 146 1HB LYS 146 6.921 -9.261 -9.261 649 1HG LYS 146 1HG LYS 146 5.931 -11.013 -11.013 650 2HG LYS 146 2HG LYS 146 6.346 -9.663 -9.663 651 1HD LYS 146 1HD LYS 146 8.297 -10.660 -10.660 652 2HD LYS 146 2HD LYS 146 8.132 -11.468 -11.468 653 1HE LYS 146 2HE LYS 146 8.472 -8.509 -8.509 654 2HE LYS 146 1HE LYS 146 9.878 -9.534 -9.534 655 1HZ LYS 146 2HZ LYS 146 8.216 -10.202 -10.202 656 2HZ LYS 146 1HZ LYS 146 9.123 -8.778 -8.778 657 3HZ LYS 146 3HZ LYS 146 9.898 -10.255 -10.255 658 H VAL 147 H VAL 147 3.010 -8.295 -8.295 659 HA VAL 147 HA VAL 147 4.592 -8.590 -8.590 660 HB VAL 147 HB VAL 147 2.430 -6.672 -6.672 661 1HG1 VAL 147 2HG1 VAL 147 5.111 -7.106 -7.106 662 2HG1 VAL 147 1HG1 VAL 147 4.922 -5.442 -5.442 663 3HG1 VAL 147 3HG1 VAL 147 3.854 -6.087 -6.087 664 1HG2 VAL 147 2HG2 VAL 147 4.273 -6.348 -6.348 665 2HG2 VAL 147 1HG2 VAL 147 2.599 -5.830 -5.830 666 3HG2 VAL 147 3HG2 VAL 147 3.899 -4.925 -4.925 667 H SER 148 H SER 148 2.950 -8.398 -8.398 668 HA SER 148 HA SER 148 1.183 -10.676 -10.676 669 1HB SER 148 2HB SER 148 2.713 -10.492 -10.492 670 2HB SER 148 1HB SER 148 1.789 -9.093 -9.093 671 HG SER 148 HG SER 148 0.726 -11.691 -11.691 672 H PHE 149 H PHE 149 0.630 -7.725 -7.725 673 HA PHE 149 HA PHE 149 -1.305 -6.608 -6.608 674 1HB PHE 149 2HB PHE 149 -2.847 -8.402 -8.402 675 2HB PHE 149 1HB PHE 149 -3.409 -7.553 -7.553 676 HD1 PHE 149 HD1 PHE 149 -1.997 -8.271 -8.271 677 HD2 PHE 149 HD2 PHE 149 -2.676 -10.674 -10.674 678 HE1 PHE 149 HE1 PHE 149 -1.632 -10.298 -10.298 679 HE2 PHE 149 HE2 PHE 149 -2.311 -12.706 -12.706 680 HZ PHE 149 HZ PHE 149 -1.788 -12.519 -12.519 681 H CYS 150 H CYS 150 -3.266 -5.587 -5.587 682 HA CYS 150 HA CYS 150 -1.930 -4.425 -4.425 683 1HB CYS 150 2HB CYS 150 -4.189 -3.114 -3.114 684 2HB CYS 150 1HB CYS 150 -2.984 -2.370 -2.370 685 HG CYS 150 HG CYS 150 -2.252 -3.419 -3.419 686 H ALA 151 H ALA 151 -3.380 -3.633 -3.633 687 HA ALA 151 HA ALA 151 -6.038 -4.510 -4.510 688 1HB ALA 151 3HB ALA 151 -4.051 -6.506 -6.506 689 2HB ALA 151 2HB ALA 151 -4.979 -6.121 -6.121 690 3HB ALA 151 1HB ALA 151 -5.809 -6.645 -6.645 691 HA PRO 152 HA PRO 152 -4.904 -1.199 -1.199 692 1HB PRO 152 2HB PRO 152 -7.473 -0.293 -0.293 693 2HB PRO 152 1HB PRO 152 -6.381 0.216 0.216 694 1HG PRO 152 1HG PRO 152 -8.553 -1.840 -1.840 695 2HG PRO 152 2HG PRO 152 -8.132 -0.624 -0.624 696 1HD PRO 152 1HD PRO 152 -7.405 -3.204 -3.204 697 2HD PRO 152 2HD PRO 152 -6.377 -1.880 -1.880 698 H ASP 153 H ASP 153 -5.431 -0.815 -0.815 699 HA ASP 153 HA ASP 153 -6.142 -3.210 -3.210 700 1HB ASP 153 2HB ASP 153 -5.347 -0.439 -0.439 701 2HB ASP 153 1HB ASP 153 -5.776 -1.712 -1.712 702 H ARG 154 H ARG 154 -8.369 -2.795 -2.795 703 HA ARG 154 HA ARG 154 -10.624 -2.889 -2.889 704 1HB ARG 154 1HB ARG 154 -9.974 -3.106 -3.106 705 2HB ARG 154 2HB ARG 154 -10.200 -1.365 -1.365 706 1HG ARG 154 2HG ARG 154 -12.378 -1.627 -1.627 707 2HG ARG 154 1HG ARG 154 -12.478 -2.520 -2.520 708 1HD ARG 154 1HD ARG 154 -11.509 -4.471 -4.471 709 2HD ARG 154 2HD ARG 154 -12.233 -3.527 -3.527 710 HE ARG 154 HE ARG 154 -14.154 -3.794 -3.794 711 1HH1 ARG 154 1HH1 ARG 154 -12.364 -5.833 -5.833 712 2HH1 ARG 154 2HH1 ARG 154 -13.609 -7.033 -7.033 713 1HH2 ARG 154 1HH2 ARG 154 -15.802 -5.368 -5.368 714 2HH2 ARG 154 2HH2 ARG 154 -15.564 -6.767 -6.767 715 H ASN 155 H ASN 155 -8.714 -0.440 -0.440 716 HA ASN 155 HA ASN 155 -8.923 1.744 1.744 717 1HB ASN 155 2HB ASN 155 -10.035 0.378 0.378 718 2HB ASN 155 1HB ASN 155 -11.578 0.803 0.803 719 1HD2 ASN 155 2HD2 ASN 155 -10.803 3.157 3.157 720 2HD2 ASN 155 1HD2 ASN 155 -10.945 1.441 1.441 721 H HIS 156 H HIS 156 -9.960 1.195 1.195 722 HA HIS 156 HA HIS 156 -12.356 2.777 2.777 723 1HB HIS 156 1HB HIS 156 -11.275 0.748 0.748 724 2HB HIS 156 2HB HIS 156 -10.828 2.155 2.155 725 HD1 HIS 156 HD1 HIS 156 -12.566 2.870 2.870 726 HD2 HIS 156 HD2 HIS 156 -14.189 0.773 0.773 727 HE1 HIS 156 HE1 HIS 156 -15.035 2.627 2.627 728 H GLU 157 H GLU 157 -9.024 3.439 3.439 729 HA GLU 157 HA GLU 157 -9.619 6.154 6.154 730 1HB GLU 157 2HB GLU 157 -7.832 4.281 4.281 731 2HB GLU 157 1HB GLU 157 -7.018 5.773 5.773 732 1HG GLU 157 1HG GLU 157 -7.936 6.836 6.836 733 2HG GLU 157 2HG GLU 157 -9.552 6.401 6.401 734 H ARG 158 H ARG 158 -9.210 4.900 4.900 735 HA ARG 158 HA ARG 158 -8.183 5.364 5.364 736 1HB ARG 158 1HB ARG 158 -7.040 7.758 7.758 737 2HB ARG 158 2HB ARG 158 -7.244 7.571 7.571 738 1HG ARG 158 1HG ARG 158 -9.083 8.813 8.813 739 2HG ARG 158 2HG ARG 158 -9.780 7.230 7.230 740 1HD ARG 158 1HD ARG 158 -8.506 8.193 8.193 741 2HD ARG 158 2HD ARG 158 -9.538 9.473 9.473 742 HE ARG 158 HE ARG 158 -10.821 6.904 6.904 743 1HH1 ARG 158 1HH1 ARG 158 -10.060 9.801 9.801 744 2HH1 ARG 158 2HH1 ARG 158 -11.379 9.622 9.622 745 1HH2 ARG 158 1HH2 ARG 158 -12.561 6.659 6.659 746 2HH2 ARG 158 2HH2 ARG 158 -12.801 7.835 7.835 747 H GLY 159 H GLY 159 -6.871 3.557 3.557 748 1HA GLY 159 1HA GLY 159 -4.033 4.182 4.182 749 2HA GLY 159 2HA GLY 159 -4.575 3.198 3.198 750 H PHE 160 H PHE 160 -3.379 3.158 3.158 751 HA PHE 160 HA PHE 160 -4.492 0.551 0.551 752 1HB PHE 160 1HB PHE 160 -2.401 1.971 1.971 753 2HB PHE 160 2HB PHE 160 -3.662 0.869 0.869 754 HD1 PHE 160 HD1 PHE 160 -6.108 1.710 1.710 755 HD2 PHE 160 HD2 PHE 160 -2.685 4.237 4.237 756 HE1 PHE 160 HE1 PHE 160 -7.538 3.628 3.628 757 HE2 PHE 160 HE2 PHE 160 -4.107 6.160 6.160 758 HZ PHE 160 HZ PHE 160 -6.538 5.858 5.858 759 H SER 161 H SER 161 -2.855 -1.076 -1.076 760 HA SER 161 HA SER 161 -0.211 -1.033 -1.033 761 1HB SER 161 2HB SER 161 -2.388 -2.411 -2.411 762 2HB SER 161 1HB SER 161 -0.884 -3.311 -3.311 763 HG SER 161 HG SER 161 -0.585 -2.150 -2.150 764 H TYR 162 H TYR 162 0.779 -1.774 -1.774 765 HA TYR 162 HA TYR 162 -0.386 -3.943 -3.943 766 1HB TYR 162 2HB TYR 162 2.216 -2.490 -2.490 767 2HB TYR 162 1HB TYR 162 1.315 -3.485 -3.485 768 HD1 TYR 162 HD1 TYR 162 -1.322 -1.976 -1.976 769 HD2 TYR 162 HD2 TYR 162 2.156 -0.859 -0.859 770 HE1 TYR 162 HE1 TYR 162 -2.490 0.023 0.023 771 HE2 TYR 162 HE2 TYR 162 0.995 1.143 1.143 772 HH TYR 162 HH2 TYR 162 -1.847 2.305 2.305 773 H ILE 163 H ILE 163 1.529 -5.493 -5.493 774 HA ILE 163 HA ILE 163 3.401 -6.253 -6.253 775 HB ILE 163 HB ILE 163 2.312 -8.697 -8.697 776 1HG1 ILE 163 1HG1 ILE 163 -0.106 -6.894 -6.894 777 2HG1 ILE 163 2HG1 ILE 163 0.361 -7.727 -7.727 778 1HG2 ILE 163 3HG2 ILE 163 2.354 -6.540 -6.540 779 2HG2 ILE 163 2HG2 ILE 163 0.972 -7.611 -7.611 780 3HG2 ILE 163 1HG2 ILE 163 2.608 -8.271 -8.271 781 1HD1 ILE 163 1HD1 ILE 163 0.209 -9.874 -9.874 782 2HD1 ILE 163 3HD1 ILE 163 -0.503 -8.948 -8.948 783 3HD1 ILE 163 2HD1 ILE 163 -1.317 -9.024 -9.024 784 H CYS 164 H CYS 164 4.946 -7.742 -7.742 785 HA CYS 164 HA CYS 164 4.724 -8.760 -8.760 786 1HB CYS 164 1HB CYS 164 6.890 -7.949 -7.949 787 2HB CYS 164 2HB CYS 164 5.967 -6.578 -6.578 788 HG CYS 164 HG CYS 164 8.603 -7.429 -7.429 789 H ARG 165 H ARG 165 6.255 -10.475 -10.475 790 HA ARG 165 HA ARG 165 7.115 -11.883 -11.883 791 1HB ARG 165 1HB ARG 165 6.880 -13.971 -13.971 792 2HB ARG 165 2HB ARG 165 5.373 -13.139 -13.139 793 1HG ARG 165 1HG ARG 165 6.422 -12.140 -12.140 794 2HG ARG 165 2HG ARG 165 6.388 -13.904 -13.904 795 1HD ARG 165 2HD ARG 165 4.065 -12.129 -12.129 796 2HD ARG 165 1HD ARG 165 4.298 -12.902 -12.902 797 HE ARG 165 HE ARG 165 3.367 -14.141 -14.141 798 1HH1 ARG 165 1HH1 ARG 165 4.837 -14.652 -14.652 799 2HH1 ARG 165 2HH1 ARG 165 4.335 -16.306 -16.306 800 1HH2 ARG 165 1HH2 ARG 165 2.700 -16.318 -16.318 801 2HH2 ARG 165 2HH2 ARG 165 3.120 -17.253 -17.253 802 H ASP 166 H ASP 166 9.177 -10.946 -10.946 803 HA ASP 166 HA ASP 166 11.356 -10.622 -10.622 804 1HB ASP 166 1HB ASP 166 12.563 -12.619 -12.619 805 2HB ASP 166 2HB ASP 166 11.212 -13.092 -13.092 806 H GLY 167 H GLY 167 9.317 -9.838 -9.838 807 1HA GLY 167 1HA GLY 167 10.176 -10.446 -10.446 808 2HA GLY 167 2HA GLY 167 9.252 -9.024 -9.024 809 H THR 168 H THR 168 12.518 -10.350 -10.350 810 HA THR 168 HA THR 168 14.553 -9.369 -9.369 811 HB THR 168 HB THR 168 14.689 -7.574 -7.574 812 HG1 THR 168 1HG THR 168 13.383 -5.964 -5.964 813 1HG2 THR 168 1HG2 THR 168 12.219 -9.177 -9.177 814 2HG2 THR 168 3HG2 THR 168 13.029 -8.116 -8.116 815 3HG2 THR 168 2HG2 THR 168 13.873 -9.523 -9.523 816 H THR 169 H THR 169 12.936 -8.776 -8.776 817 HA THR 169 HA THR 169 14.257 -6.263 -6.263 818 HB THR 169 HB THR 169 11.644 -7.425 -7.425 819 HG1 THR 169 1HG THR 169 12.303 -5.187 -5.187 820 1HG2 THR 169 2HG2 THR 169 13.114 -4.964 -4.964 821 2HG2 THR 169 1HG2 THR 169 11.405 -5.265 -5.265 822 3HG2 THR 169 3HG2 THR 169 12.630 -6.348 -6.348 823 H ARG 170 H ARG 170 12.655 -8.782 -8.782 824 HA ARG 170 HA ARG 170 15.149 -9.773 -9.773 825 1HB ARG 170 2HB ARG 170 13.353 -7.974 -7.974 826 2HB ARG 170 1HB ARG 170 14.337 -9.196 -9.196 827 1HG ARG 170 1HG ARG 170 16.173 -7.982 -7.982 828 2HG ARG 170 2HG ARG 170 15.106 -6.635 -6.635 829 1HD ARG 170 1HD ARG 170 15.602 -8.231 -8.231 830 2HD ARG 170 2HD ARG 170 17.130 -7.767 -7.767 831 HE ARG 170 HE ARG 170 15.404 -5.535 -5.535 832 1HH1 ARG 170 1HH1 ARG 170 17.423 -7.600 -7.600 833 2HH1 ARG 170 2HH1 ARG 170 17.737 -6.386 -6.386 834 1HH2 ARG 170 1HH2 ARG 170 15.811 -3.929 -3.929 835 2HH2 ARG 170 2HH2 ARG 170 16.821 -4.299 -4.299 836 H ARG 171 H ARG 171 12.035 -9.548 -9.548 837 HA ARG 171 HA ARG 171 11.408 -12.320 -12.320 838 1HB ARG 171 2HB ARG 171 11.156 -12.997 -12.997 839 2HB ARG 171 1HB ARG 171 12.767 -12.319 -12.319 840 1HG ARG 171 2HG ARG 171 12.372 -10.667 -10.667 841 2HG ARG 171 1HG ARG 171 10.752 -10.366 -10.366 842 1HD ARG 171 1HD ARG 171 9.801 -11.555 -11.555 843 2HD ARG 171 2HD ARG 171 10.905 -12.908 -12.908 844 HE ARG 171 HE ARG 171 11.125 -10.831 -10.831 845 1HH1 ARG 171 1HH1 ARG 171 12.824 -13.262 -13.262 846 2HH1 ARG 171 2HH1 ARG 171 14.109 -13.413 -13.413 847 1HH2 ARG 171 1HH2 ARG 171 12.815 -11.022 -11.022 848 2HH2 ARG 171 2HH2 ARG 171 14.105 -12.140 -12.140 849 H TRP 172 H TRP 172 9.345 -12.259 -12.259 850 HA TRP 172 HA TRP 172 7.223 -11.123 -11.123 851 1HB TRP 172 1HB TRP 172 7.131 -11.845 -11.845 852 2HB TRP 172 2HB TRP 172 5.791 -11.795 -11.795 853 HD1 TRP 172 HD1 TRP 172 6.300 -14.396 -14.396 854 HE1 TRP 172 HE1 TRP 172 6.885 -16.604 -16.604 855 HE3 TRP 172 HE3 TRP 172 8.061 -12.523 -12.523 856 HZ2 TRP 172 2HZ TRP 172 7.946 -17.445 -17.445 857 HZ3 TRP 172 HZ3 TRP 172 8.838 -14.101 -14.101 858 HH2 TRP 172 HH2 TRP 172 8.783 -16.511 -16.511 859 H MET 173 H MET 173 8.260 -8.997 -8.997 860 HA MET 173 HA MET 173 8.284 -7.297 -7.297 861 1HB MET 173 1HB MET 173 8.894 -6.651 -6.651 862 2HB MET 173 2HB MET 173 9.164 -5.580 -5.580 863 1HG MET 173 1HG MET 173 10.436 -8.106 -8.106 864 2HG MET 173 2HG MET 173 10.932 -7.452 -7.452 865 1HE MET 173 3HE MET 173 10.270 -6.500 -6.500 866 2HE MET 173 2HE MET 173 11.307 -5.096 -5.096 867 3HE MET 173 1HE MET 173 9.875 -4.963 -4.963 868 H CYS 174 H CYS 174 6.555 -6.262 -6.262 869 HA CYS 174 HA CYS 174 4.243 -5.930 -5.930 870 1HB CYS 174 2HB CYS 174 4.832 -5.678 -5.678 871 2HB CYS 174 1HB CYS 174 3.577 -4.613 -4.613 872 HG CYS 174 HG CYS 174 2.942 -7.242 -7.242 873 H HIS 175 H HIS 175 3.135 -3.727 -3.727 874 HA HIS 175 HA HIS 175 5.062 -1.524 -1.524 875 1HB HIS 175 2HB HIS 175 3.220 -2.193 -2.193 876 2HB HIS 175 1HB HIS 175 4.268 -0.784 -0.784 877 HD1 HIS 175 HD1 HIS 175 6.509 -1.069 -1.069 878 HD2 HIS 175 HD2 HIS 175 4.783 -4.698 -4.698 879 HE1 HIS 175 HE1 HIS 175 8.059 -2.868 -2.868 880 H GLY 176 H GLY 176 4.045 -0.640 -0.640 881 1HA GLY 176 1HA GLY 176 1.227 -0.197 -0.197 882 2HA GLY 176 2HA GLY 176 2.446 0.551 0.551 883 H PHE 177 H PHE 177 0.243 1.027 1.027 884 HA PHE 177 HA PHE 177 1.534 3.537 3.537 885 1HB PHE 177 2HB PHE 177 -0.283 1.618 1.618 886 2HB PHE 177 1HB PHE 177 -0.548 3.319 3.319 887 HD1 PHE 177 HD2 PHE 177 1.366 4.676 4.676 888 HD2 PHE 177 HD1 PHE 177 1.484 0.432 0.432 889 HE1 PHE 177 HE2 PHE 177 3.212 4.617 4.617 890 HE2 PHE 177 HE1 PHE 177 3.330 0.366 0.366 891 HZ PHE 177 HZ PHE 177 4.196 2.460 2.460 892 H LEU 178 H LEU 178 0.589 5.483 5.483 893 HA LEU 178 HA LEU 178 -2.115 5.576 5.576 894 1HB LEU 178 2HB LEU 178 -0.460 5.706 5.706 895 2HB LEU 178 1HB LEU 178 0.256 7.110 7.110 896 HG LEU 178 HG LEU 178 -1.390 7.429 7.429 897 1HD1 LEU 178 2HD1 LEU 178 -0.781 8.982 8.982 898 2HD1 LEU 178 1HD1 LEU 178 -2.419 9.336 9.336 899 3HD1 LEU 178 3HD1 LEU 178 -1.061 9.513 9.513 900 1HD2 LEU 178 1HD2 LEU 178 -3.139 5.971 5.971 901 2HD2 LEU 178 3HD2 LEU 178 -3.697 7.546 7.546 902 3HD2 LEU 178 2HD2 LEU 178 -3.405 7.277 7.277 903 H ALA 179 H ALA 179 -3.222 6.634 6.634 904 HA ALA 179 HA ALA 179 -2.352 8.213 8.213 905 1HB ALA 179 1HB ALA 179 -4.813 7.484 7.484 906 2HB ALA 179 3HB ALA 179 -4.844 9.244 9.244 907 3HB ALA 179 2HB ALA 179 -4.517 8.472 8.472 908 H CYS 180 H CYS 180 -2.021 10.384 10.384 909 HA CYS 180 HA CYS 180 -0.898 11.910 11.910 910 1HB CYS 180 1HB CYS 180 -0.124 12.139 12.139 911 2HB CYS 180 2HB CYS 180 -1.706 12.740 12.740 912 HG CYS 180 HG CYS 180 -1.156 14.837 14.837 913 H LYS 181 H LYS 181 -3.753 12.559 12.559 914 HA LYS 181 HA LYS 181 -4.724 14.645 14.645 915 1HB LYS 181 1HB LYS 181 -6.447 13.030 13.030 916 2HB LYS 181 2HB LYS 181 -6.587 14.731 14.731 917 1HG LYS 181 2HG LYS 181 -4.527 13.446 13.446 918 2HG LYS 181 1HG LYS 181 -5.776 14.605 14.605 919 1HD LYS 181 2HD LYS 181 -4.202 15.715 15.715 920 2HD LYS 181 1HD LYS 181 -3.128 15.130 15.130 921 1HE LYS 181 2HE LYS 181 -4.560 16.371 16.371 922 2HE LYS 181 1HE LYS 181 -5.400 17.087 17.087 923 1HZ LYS 181 3HZ LYS 181 -3.213 17.934 17.934 924 2HZ LYS 181 2HZ LYS 181 -2.531 17.385 17.385 925 3HZ LYS 181 1HZ LYS 181 -3.720 18.590 18.590 926 H ASP 182 H ASP 182 -5.077 11.197 11.197 927 HA ASP 182 HA ASP 182 -6.111 9.732 9.732 928 1HB ASP 182 1HB ASP 182 -5.027 11.710 11.710 929 2HB ASP 182 2HB ASP 182 -6.697 11.626 11.626 930 H SER 183 H SER 183 -7.945 9.644 9.644 931 HA SER 183 HA SER 183 -10.395 10.135 10.135 932 1HB SER 183 2HB SER 183 -9.812 12.426 12.426 933 2HB SER 183 1HB SER 183 -10.051 11.730 11.730 934 HG SER 183 HG SER 183 -12.118 11.893 11.893 935 H GLY 184 H GLY 184 -8.929 7.976 7.976 936 1HA GLY 184 2HA GLY 184 -9.264 6.267 6.267 937 2HA GLY 184 1HA GLY 184 -10.936 6.452 6.452 938 H GLU 185 H GLU 185 -9.252 8.994 8.994 939 HA GLU 185 HA GLU 185 -10.510 8.251 8.251 940 1HB GLU 185 2HB GLU 185 -11.335 10.455 10.455 941 2HB GLU 185 1HB GLU 185 -10.950 10.979 10.979 942 1HG GLU 185 2HG GLU 185 -12.560 9.489 9.489 943 2HG GLU 185 1HG GLU 185 -12.844 8.734 8.734 944 H ARG 186 H ARG 186 -7.890 7.966 7.966 945 HA ARG 186 HA ARG 186 -6.749 9.951 9.951 946 1HB ARG 186 2HB ARG 186 -5.407 9.333 9.333 947 2HB ARG 186 1HB ARG 186 -4.847 10.453 10.453 948 1HG ARG 186 2HG ARG 186 -7.430 10.792 10.792 949 2HG ARG 186 1HG ARG 186 -5.898 11.511 11.511 950 1HD ARG 186 1HD ARG 186 -5.786 12.872 12.872 951 2HD ARG 186 2HD ARG 186 -7.031 11.943 11.943 952 HE ARG 186 HE ARG 186 -8.192 12.996 12.996 953 1HH1 ARG 186 1HH1 ARG 186 -6.750 14.159 14.159 954 2HH1 ARG 186 2HH1 ARG 186 -7.707 15.601 15.601 955 1HH2 ARG 186 2HH2 ARG 186 -9.459 14.892 14.892 956 2HH2 ARG 186 1HH2 ARG 186 -9.248 16.018 16.018 957 H LEU 187 H LEU 187 -6.151 7.099 7.099 958 HA LEU 187 HA LEU 187 -4.545 5.974 5.974 959 1HB LEU 187 1HB LEU 187 -4.223 5.771 5.771 960 2HB LEU 187 2HB LEU 187 -3.536 4.560 4.560 961 HG LEU 187 HG LEU 187 -1.993 6.064 6.064 962 1HD1 LEU 187 2HD1 LEU 187 -3.771 8.233 8.233 963 2HD1 LEU 187 1HD1 LEU 187 -2.122 8.538 8.538 964 3HD1 LEU 187 3HD1 LEU 187 -3.317 7.912 7.912 965 1HD2 LEU 187 3HD2 LEU 187 -2.111 5.720 5.720 966 2HD2 LEU 187 2HD2 LEU 187 -0.717 6.257 6.257 967 3HD2 LEU 187 1HD2 LEU 187 -1.802 7.444 7.444 968 H SER 188 H SER 188 -6.927 5.332 5.332 969 HA SER 188 HA SER 188 -7.276 2.617 2.617 970 1HB SER 188 1HB SER 188 -8.520 4.468 4.468 971 2HB SER 188 2HB SER 188 -9.731 4.309 4.309 972 HG SER 188 HG SER 188 -9.459 2.771 2.771 973 H HIS 189 H HIS 189 -9.124 5.076 5.076 974 HA HIS 189 HA HIS 189 -10.160 3.088 3.088 975 1HB HIS 189 2HB HIS 189 -11.118 5.469 5.469 976 2HB HIS 189 1HB HIS 189 -10.419 5.956 5.956 977 HD1 HIS 189 HD1 HIS 189 -13.564 5.716 5.716 978 HD2 HIS 189 HD2 HIS 189 -11.322 3.143 3.143 979 HE1 HIS 189 HE1 HIS 189 -15.211 4.514 4.514 980 H ALA 190 H ALA 190 -7.376 5.087 5.087 981 HA ALA 190 HA ALA 190 -6.987 5.094 5.094 982 1HB ALA 190 2HB ALA 190 -6.059 6.662 6.662 983 2HB ALA 190 1HB ALA 190 -4.645 5.909 5.909 984 3HB ALA 190 3HB ALA 190 -5.750 6.876 6.876 985 H VAL 191 H VAL 191 -4.699 4.208 4.208 986 HA VAL 191 HA VAL 191 -3.134 2.533 2.533 987 HB VAL 191 HB VAL 191 -2.702 3.394 3.394 988 1HG1 VAL 191 2HG1 VAL 191 -4.799 1.774 1.774 989 2HG1 VAL 191 1HG1 VAL 191 -3.400 0.799 0.799 990 3HG1 VAL 191 3HG1 VAL 191 -3.595 2.419 2.419 991 1HG2 VAL 191 3HG2 VAL 191 -1.710 1.147 1.147 992 2HG2 VAL 191 2HG2 VAL 191 -0.839 2.268 2.268 993 3HG2 VAL 191 1HG2 VAL 191 -1.595 0.827 0.827 994 H GLY 192 H GLY 192 -6.188 1.953 1.953 995 1HA GLY 192 1HA GLY 192 -6.153 -0.911 -0.911 996 2HA GLY 192 2HA GLY 192 -7.554 0.083 0.083 997 H CYS 193 H CYS 193 -7.085 1.850 1.850 998 HA CYS 193 HA CYS 193 -8.558 0.414 0.414 999 1HB CYS 193 1HB CYS 193 -7.649 3.177 3.177 1000 2HB CYS 193 2HB CYS 193 -7.645 2.694 2.694 1001 HG CYS 193 HG CYS 193 -10.258 2.385 2.385 1002 H ALA 194 H ALA 194 -5.227 1.272 1.272 1003 HA ALA 194 HA ALA 194 -4.067 0.882 0.882 1004 1HB ALA 194 1HB ALA 194 -3.179 0.766 0.766 1005 2HB ALA 194 3HB ALA 194 -2.223 -0.233 -0.233 1006 3HB ALA 194 2HB ALA 194 -2.405 1.494 1.494 1007 H PHE 195 H PHE 195 -5.263 -1.479 -1.479 1008 HA PHE 195 HA PHE 195 -4.124 -3.792 -3.792 1009 1HB PHE 195 1HB PHE 195 -6.523 -3.236 -3.236 1010 2HB PHE 195 2HB PHE 195 -6.316 -4.844 -4.844 1011 HD1 PHE 195 HD1 PHE 195 -3.723 -5.671 -5.671 1012 HD2 PHE 195 HD2 PHE 195 -5.812 -3.019 -3.019 1013 HE1 PHE 195 HE1 PHE 195 -2.195 -6.265 -6.265 1014 HE2 PHE 195 HE2 PHE 195 -4.288 -3.609 -3.609 1015 HZ PHE 195 HZ PHE 195 -2.476 -5.234 -5.234 1016 H ALA 196 H ALA 196 -6.753 -1.788 -1.788 1017 HA ALA 196 HA ALA 196 -8.370 -3.402 -3.402 1018 1HB ALA 196 1HB ALA 196 -8.709 -0.995 -0.995 1019 2HB ALA 196 3HB ALA 196 -7.346 -0.694 -0.694 1020 3HB ALA 196 2HB ALA 196 -8.795 -1.492 -1.492 1021 H VAL 197 H VAL 197 -5.069 -2.556 -2.556 1022 HA VAL 197 HA VAL 197 -5.215 -3.806 -3.806 1023 HB VAL 197 HB VAL 197 -2.989 -2.230 -2.230 1024 1HG1 VAL 197 1HG2 VAL 197 -3.040 -3.944 -3.944 1025 2HG1 VAL 197 3HG2 VAL 197 -2.421 -2.319 -2.319 1026 3HG1 VAL 197 2HG2 VAL 197 -1.673 -3.338 -3.338 1027 1HG2 VAL 197 2HG1 VAL 197 -5.126 -1.568 -1.568 1028 2HG2 VAL 197 1HG1 VAL 197 -4.587 -0.660 -0.660 1029 3HG2 VAL 197 3HG1 VAL 197 -3.586 -0.710 -0.710 1030 H CYS 198 H CYS 198 -3.752 -4.152 -4.152 1031 HA CYS 198 HA CYS 198 -1.854 -6.102 -6.102 1032 1HB CYS 198 2HB CYS 198 -2.037 -5.099 -5.099 1033 2HB CYS 198 1HB CYS 198 -3.670 -5.723 -5.723 1034 HG CYS 198 HG CYS 198 -1.892 -7.177 -7.177 1035 H LEU 199 H LEU 199 -5.320 -6.354 -6.354 1036 HA LEU 199 HA LEU 199 -5.080 -9.240 -9.240 1037 1HB LEU 199 1HB LEU 199 -7.588 -8.005 -8.005 1038 2HB LEU 199 2HB LEU 199 -7.076 -9.680 -9.680 1039 HG LEU 199 HG LEU 199 -5.163 -8.697 -8.697 1040 1HD1 LEU 199 3HD1 LEU 199 -6.959 -6.478 -6.478 1041 2HD1 LEU 199 2HD1 LEU 199 -6.895 -6.970 -6.970 1042 3HD1 LEU 199 1HD1 LEU 199 -5.409 -6.548 -6.548 1043 1HD2 LEU 199 2HD2 LEU 199 -6.880 -10.399 -10.399 1044 2HD2 LEU 199 1HD2 LEU 199 -6.473 -9.327 -9.327 1045 3HD2 LEU 199 3HD2 LEU 199 -7.974 -9.089 -9.089 1046 H GLU 200 H GLU 200 -6.779 -6.236 -6.236 1047 HA GLU 200 HA GLU 200 -7.925 -5.538 -5.538 1048 1HB GLU 200 2HB GLU 200 -5.937 -6.348 -6.348 1049 2HB GLU 200 1HB GLU 200 -6.672 -7.942 -7.942 1050 1HG GLU 200 1HG GLU 200 -8.596 -6.214 -6.214 1051 2HG GLU 200 2HG GLU 200 -7.067 -5.603 -5.603 1052 H ARG 201 H ARG 201 -10.029 -5.745 -5.745 1053 HA ARG 201 HA ARG 201 -12.163 -6.561 -6.561 1054 1HB ARG 201 1HB ARG 201 -10.851 -8.114 -8.114 1055 2HB ARG 201 2HB ARG 201 -11.474 -9.323 -9.323 1056 1HG ARG 201 1HG ARG 201 -13.726 -8.154 -8.154 1057 2HG ARG 201 2HG ARG 201 -12.999 -7.337 -7.337 1058 1HD ARG 201 2HD ARG 201 -12.991 -9.207 -9.207 1059 2HD ARG 201 1HD ARG 201 -12.643 -10.261 -10.261 1060 HE ARG 201 HE ARG 201 -14.890 -10.608 -10.608 1061 1HH1 ARG 201 1HH2 ARG 201 -14.390 -7.836 -7.836 1062 2HH1 ARG 201 2HH2 ARG 201 -16.065 -7.681 -7.681 1063 1HH2 ARG 201 2HH1 ARG 201 -17.098 -10.414 -10.414 1064 2HH2 ARG 201 1HH1 ARG 201 -17.604 -9.148 -9.148 1065 H LYS 202 H LYS 202 -10.157 -6.978 -6.978 1066 HA LYS 202 HA LYS 202 -10.006 -8.018 -8.018 1067 1HB LYS 202 2HB LYS 202 -12.987 -8.361 -8.361 1068 2HB LYS 202 1HB LYS 202 -11.993 -7.966 -7.966 1069 1HG LYS 202 1HG LYS 202 -12.685 -6.169 -6.169 1070 2HG LYS 202 2HG LYS 202 -13.217 -6.019 -6.019 1071 1HD LYS 202 1HD LYS 202 -10.302 -6.089 -6.089 1072 2HD LYS 202 2HD LYS 202 -11.110 -4.682 -4.682 1073 1HE LYS 202 2HE LYS 202 -11.764 -5.543 -5.543 1074 2HE LYS 202 1HE LYS 202 -10.285 -4.635 -4.635 1075 1HZ LYS 202 1HZ LYS 202 -12.634 -3.520 -3.520 1076 2HZ LYS 202 3HZ LYS 202 -12.699 -3.536 -3.536 1077 3HZ LYS 202 2HZ LYS 202 -11.421 -2.759 -2.759 1078 H GLN 203 H GLN 203 -9.376 -9.817 -9.817 1079 HA GLN 203 HA GLN 203 -10.872 -12.179 -12.179 1080 1HB GLN 203 1HB GLN 203 -8.030 -11.448 -11.448 1081 2HB GLN 203 2HB GLN 203 -8.394 -13.155 -13.155 1082 1HG GLN 203 2HG GLN 203 -9.625 -11.314 -11.314 1083 2HG GLN 203 1HG GLN 203 -8.402 -12.547 -12.547 1084 1HE2 GLN 203 1HE2 GLN 203 -10.717 -15.258 -15.258 1085 2HE2 GLN 203 2HE2 GLN 203 -9.123 -14.765 -14.765 1086 H ARG 204 H ARG 204 -8.695 -10.919 -10.919 1087 HA ARG 204 HA ARG 204 -8.258 -11.553 -11.553 1088 1HB ARG 204 2HB ARG 204 -10.811 -12.810 -12.810 1089 2HB ARG 204 1HB ARG 204 -9.886 -13.731 -13.731 1090 1HG ARG 204 2HG ARG 204 -10.687 -12.355 -12.355 1091 2HG ARG 204 1HG ARG 204 -9.652 -11.103 -11.103 1092 1HD ARG 204 1HD ARG 204 -12.026 -10.415 -10.415 1093 2HD ARG 204 2HD ARG 204 -11.423 -10.344 -10.344 1094 HE ARG 204 HE ARG 204 -12.934 -11.959 -11.959 1095 1HH1 ARG 204 1HH1 ARG 204 -12.640 -11.877 -11.877 1096 2HH1 ARG 204 2HH1 ARG 204 -13.956 -12.972 -12.972 1097 1HH2 ARG 204 1HH2 ARG 204 -14.667 -13.400 -13.400 1098 2HH2 ARG 204 2HH2 ARG 204 -15.108 -13.837 -13.837 1099 H ARG 205 H ARG 205 -6.933 -12.991 -12.991 1100 HA ARG 205 HA ARG 205 -5.759 -15.061 -15.061 1101 1HB ARG 205 2HB ARG 205 -4.409 -13.273 -13.273 1102 2HB ARG 205 1HB ARG 205 -4.762 -14.189 -14.189 1103 1HG ARG 205 2HG ARG 205 -2.681 -14.976 -14.976 1104 2HG ARG 205 1HG ARG 205 -3.779 -16.193 -16.193 1105 1HD ARG 205 2HD ARG 205 -2.438 -15.841 -15.841 1106 2HD ARG 205 1HD ARG 205 -3.701 -14.647 -14.647 1107 HE ARG 205 HE ARG 205 -1.863 -13.257 -13.257 1108 1HH1 ARG 205 1HH1 ARG 205 -1.689 -15.242 -15.242 1109 2HH1 ARG 205 2HH1 ARG 205 -0.367 -14.362 -14.362 1110 1HH2 ARG 205 1HH2 ARG 205 -0.121 -12.089 -12.089 1111 2HH2 ARG 205 2HH2 ARG 205 0.526 -12.570 -12.570 1112 H THR 206 H THR 206 -8.375 -15.304 -15.304 1113 HA THR 206 HA THR 206 -7.808 -17.357 -17.357 1114 HB THR 206 HB THR 206 -10.110 -17.304 -17.304 1115 HG1 THR 206 1HG THR 206 -11.173 -17.491 -17.491 1116 1HG2 THR 206 1HG2 THR 206 -9.089 -14.607 -14.607 1117 2HG2 THR 206 3HG2 THR 206 -10.747 -14.802 -14.802 1118 3HG2 THR 206 2HG2 THR 206 -9.400 -15.295 -15.295 1119 H ARG 207 H ARG 207 -9.933 -19.095 -19.095 1120 HA ARG 207 HA ARG 207 -8.849 -20.805 -20.805 1121 1HB ARG 207 2HB ARG 207 -10.716 -21.030 -21.030 1122 2HB ARG 207 1HB ARG 207 -11.314 -21.863 -21.863 1123 1HG ARG 207 2HG ARG 207 -9.894 -23.540 -23.540 1124 2HG ARG 207 1HG ARG 207 -8.523 -22.439 -22.439 1125 1HD ARG 207 1HD ARG 207 -8.453 -22.717 -22.717 1126 2HD ARG 207 2HD ARG 207 -10.164 -22.317 -22.317 1127 HE ARG 207 HE ARG 207 -10.565 -24.532 -24.532 1128 1HH1 ARG 207 2HH1 ARG 207 -7.599 -24.202 -24.202 1129 2HH1 ARG 207 1HH1 ARG 207 -7.275 -25.903 -25.903 1130 1HH2 ARG 207 2HH2 ARG 207 -10.151 -26.774 -26.774 1131 2HH2 ARG 207 1HH2 ARG 207 -8.728 -27.366 -27.366 1132 H ALA 208 H ALA 208 -9.192 -19.237 -19.237 1133 HA ALA 208 HA ALA 208 -11.591 -18.310 -18.310 1134 1HB ALA 208 2HB ALA 208 -9.277 -17.884 -17.884 1135 2HB ALA 208 1HB ALA 208 -9.454 -19.394 -19.394 1136 3HB ALA 208 3HB ALA 208 -10.567 -18.060 -18.060 1137 H ALA 209 H ALA 209 -10.140 -21.494 -21.494 1138 HA ALA 209 HA ALA 209 -10.974 -23.408 -23.408 1139 1HB ALA 209 3HB ALA 209 -12.943 -22.404 -22.404 1140 2HB ALA 209 2HB ALA 209 -13.603 -23.534 -23.534 1141 3HB ALA 209 1HB ALA 209 -12.242 -24.013 -24.013 1142 H ALA 210 H ALA 210 -10.964 -21.246 -21.246 1143 HA ALA 210 HA ALA 210 -13.131 -22.074 -22.074 1144 1HB ALA 210 1HB ALA 210 -12.727 -19.333 -19.333 1145 2HB ALA 210 3HB ALA 210 -13.200 -19.503 -19.503 1146 3HB ALA 210 2HB ALA 210 -14.216 -20.180 -20.180 1147 1H ALA 1 1HT ALA 1 -13.839 -7.138 -7.138 1148 2H ALA 1 3HT ALA 1 -14.173 -6.377 -6.377 1149 3H ALA 1 2HT ALA 1 -14.980 -5.859 -5.859 1150 HA ALA 1 HA ALA 1 -13.300 -4.325 -4.325 1151 1HB ALA 1 1HB ALA 1 -11.745 -6.792 -6.792 1152 2HB ALA 1 3HB ALA 1 -10.886 -5.458 -5.458 1153 3HB ALA 1 2HB ALA 1 -11.612 -5.238 -5.238 1154 H TYR 2 H TYR 2 -11.564 -6.611 -6.611 1155 HA TYR 2 HA TYR 2 -12.660 -5.965 -5.965 1156 1HB TYR 2 1HB TYR 2 -10.468 -4.480 -4.480 1157 2HB TYR 2 2HB TYR 2 -12.046 -3.810 -3.810 1158 HD1 TYR 2 HD2 TYR 2 -9.654 -5.299 -5.299 1159 HD2 TYR 2 HD1 TYR 2 -11.408 -1.735 -1.735 1160 HE1 TYR 2 HE2 TYR 2 -8.654 -4.022 -4.022 1161 HE2 TYR 2 HE1 TYR 2 -10.414 -0.450 -0.450 1162 HH TYR 2 HH2 TYR 2 -8.014 -1.202 -1.202 1163 H ILE 3 H ILE 3 -9.175 -5.619 -5.619 1164 HA ILE 3 HA ILE 3 -8.830 -8.450 -8.450 1165 HB ILE 3 HB ILE 3 -7.140 -6.379 -6.379 1166 1HG1 ILE 3 2HG1 ILE 3 -9.502 -5.809 -5.809 1167 2HG1 ILE 3 1HG1 ILE 3 -8.631 -6.373 -6.373 1168 1HG2 ILE 3 3HG2 ILE 3 -7.164 -9.159 -9.159 1169 2HG2 ILE 3 2HG2 ILE 3 -7.828 -8.747 -8.747 1170 3HG2 ILE 3 1HG2 ILE 3 -6.244 -8.137 -8.137 1171 1HD1 ILE 3 3HD1 ILE 3 -9.894 -8.581 -8.581 1172 2HD1 ILE 3 2HD1 ILE 3 -11.065 -7.304 -7.304 1173 3HD1 ILE 3 1HD1 ILE 3 -10.108 -7.980 -7.980 1174 H GLY 4 H GLY 4 -8.368 -8.140 -8.140 1175 1HA GLY 4 2HA GLY 4 -5.581 -8.433 -8.433 1176 2HA GLY 4 1HA GLY 4 -6.088 -6.844 -6.844 1177 HA PRO 5 HA PRO 5 -7.329 -8.211 -8.211 1178 1HB PRO 5 2HB PRO 5 -10.122 -7.436 -7.436 1179 2HB PRO 5 1HB PRO 5 -9.177 -7.024 -7.024 1180 1HG PRO 5 1HG PRO 5 -9.536 -5.246 -5.246 1181 2HG PRO 5 2HG PRO 5 -7.986 -5.365 -5.365 1182 1HD PRO 5 2HD PRO 5 -8.716 -6.264 -6.264 1183 2HD PRO 5 1HD PRO 5 -7.159 -5.685 -5.685 1184 1HN PTR 6 H PTR 6 -9.661 -9.022 -9.022 1185 HA PTR 6 HA PTR 6 -10.271 -11.545 -11.545 1186 1HB PTR 6 1HB PTR 6 -11.579 -10.062 -10.062 1187 2HB PTR 6 2HB PTR 6 -12.239 -10.391 -10.391 1188 HD1 PTR 6 HD1 PTR 6 -12.224 -11.437 -11.437 1189 HD2 PTR 6 HD2 PTR 6 -12.673 -12.878 -12.878 1190 HE1 PTR 6 HE1 PTR 6 -12.500 -13.747 -13.747 1191 HE2 PTR 6 HE2 PTR 6 -13.708 -14.926 -14.926 1192 H LEU 7 H LEU 7 -10.266 -10.966 -10.966 1193 HA LEU 7 HA LEU 7 -9.414 -12.212 -12.212 1194 1HB LEU 7 2HB LEU 7 -7.241 -11.351 -11.351 1195 2HB LEU 7 1HB LEU 7 -6.828 -12.808 -12.808 1196 HG LEU 7 HG LEU 7 -7.673 -10.158 -10.158 1197 1HD1 LEU 7 1HD1 LEU 7 -5.127 -11.414 -11.414 1198 2HD1 LEU 7 3HD1 LEU 7 -5.278 -10.973 -10.973 1199 3HD1 LEU 7 2HD1 LEU 7 -5.490 -9.747 -9.747 1200 1HD2 LEU 7 1HD2 LEU 7 -7.318 -12.857 -12.857 1201 2HD2 LEU 7 3HD2 LEU 7 -8.654 -11.719 -11.719 1202 3HD2 LEU 7 2HD2 LEU 7 -7.093 -11.371 -11.371 Start of MODEL 8 1 HA SER 64 HA SER 64 -18.939 8.886 8.886 2 1HB SER 64 2HB SER 64 -21.351 9.756 9.756 3 2HB SER 64 1HB SER 64 -20.876 10.738 10.738 4 HG SER 64 HG SER 64 -21.445 8.086 8.086 5 H LYS 65 H LYS 65 -16.720 9.562 9.562 6 HA LYS 65 HA LYS 65 -15.027 10.249 10.249 7 1HB LYS 65 2HB LYS 65 -17.109 9.088 9.088 8 2HB LYS 65 1HB LYS 65 -16.183 10.278 10.278 9 1HG LYS 65 2HG LYS 65 -14.118 9.033 9.033 10 2HG LYS 65 1HG LYS 65 -15.261 7.729 7.729 11 1HD LYS 65 2HD LYS 65 -14.700 9.008 9.008 12 2HD LYS 65 1HD LYS 65 -14.231 7.385 7.385 13 1HE LYS 65 1HE LYS 65 -16.609 6.796 6.796 14 2HE LYS 65 2HE LYS 65 -17.050 8.405 8.405 15 1HZ LYS 65 1HZ LYS 65 -15.743 7.846 7.846 16 2HZ LYS 65 3HZ LYS 65 -15.707 6.244 6.244 17 3HZ LYS 65 2HZ LYS 65 -17.187 6.990 6.990 18 HA PRO 66 HA PRO 66 -17.201 14.520 14.520 19 1HB PRO 66 2HB PRO 66 -15.340 15.621 15.621 20 2HB PRO 66 1HB PRO 66 -16.989 15.138 15.138 21 1HG PRO 66 2HG PRO 66 -14.428 13.656 13.656 22 2HG PRO 66 1HG PRO 66 -15.854 13.735 13.735 23 1HD PRO 66 2HD PRO 66 -15.372 11.583 11.583 24 2HD PRO 66 1HD PRO 66 -17.028 12.179 12.179 25 H HIS 67 H HIS 67 -13.801 14.813 14.813 26 HA HIS 67 HA HIS 67 -13.063 15.277 15.277 27 1HB HIS 67 2HB HIS 67 -12.756 17.303 17.303 28 2HB HIS 67 1HB HIS 67 -11.803 17.361 17.361 29 HD1 HIS 67 HD1 HIS 67 -12.803 18.753 18.753 30 HD2 HIS 67 HD2 HIS 67 -15.662 17.347 17.347 31 HE1 HIS 67 HE1 HIS 67 -15.005 19.768 19.768 32 H GLN 68 H GLN 68 -11.567 15.839 15.839 33 HA GLN 68 HA GLN 68 -9.036 14.876 14.876 34 1HB GLN 68 2HB GLN 68 -10.382 15.745 15.745 35 2HB GLN 68 1HB GLN 68 -9.587 14.222 14.222 36 1HG GLN 68 1HG GLN 68 -7.540 15.119 15.119 37 2HG GLN 68 2HG GLN 68 -7.933 16.127 16.127 38 1HE2 GLN 68 2HE2 GLN 68 -7.341 18.595 18.595 39 2HE2 GLN 68 1HE2 GLN 68 -6.521 17.567 17.567 40 H TRP 69 H TRP 69 -11.976 13.231 13.231 41 HA TRP 69 HA TRP 69 -10.726 10.653 10.653 42 1HB TRP 69 1HB TRP 69 -13.445 11.787 11.787 43 2HB TRP 69 2HB TRP 69 -13.384 10.124 10.124 44 HD1 TRP 69 HD1 TRP 69 -10.726 11.153 11.153 45 HE1 TRP 69 HE1 TRP 69 -11.184 9.987 9.987 46 HE3 TRP 69 HE3 TRP 69 -15.357 9.233 9.233 47 HZ2 TRP 69 2HZ TRP 69 -13.237 8.456 8.456 48 HZ3 TRP 69 HZ3 TRP 69 -16.499 7.930 7.930 49 HH2 TRP 69 HH2 TRP 69 -15.460 7.550 7.550 50 H GLN 70 H GLN 70 -12.358 12.451 12.451 51 HA GLN 70 HA GLN 70 -12.719 10.313 10.313 52 1HB GLN 70 1HB GLN 70 -14.030 12.282 12.282 53 2HB GLN 70 2HB GLN 70 -12.605 13.310 13.310 54 1HG GLN 70 2HG GLN 70 -12.428 13.106 13.106 55 2HG GLN 70 1HG GLN 70 -12.468 11.346 11.346 56 1HE2 GLN 70 2HE2 GLN 70 -16.069 13.269 13.269 57 2HE2 GLN 70 1HE2 GLN 70 -14.823 13.918 13.918 58 H ALA 71 H ALA 71 -9.994 12.262 12.262 59 HA ALA 71 HA ALA 71 -8.515 11.483 11.483 60 1HB ALA 71 3HB ALA 71 -8.443 13.823 13.823 61 2HB ALA 71 2HB ALA 71 -7.485 13.153 13.153 62 3HB ALA 71 1HB ALA 71 -6.883 13.070 13.070 63 H ASP 72 H ASP 72 -8.271 11.164 11.164 64 HA ASP 72 HA ASP 72 -5.954 9.524 9.524 65 1HB ASP 72 2HB ASP 72 -8.013 10.013 10.013 66 2HB ASP 72 1HB ASP 72 -6.581 9.017 9.017 67 H GLU 73 H GLU 73 -9.414 8.801 8.801 68 HA GLU 73 HA GLU 73 -9.294 6.085 6.085 69 1HB GLU 73 1HB GLU 73 -11.367 7.483 7.483 70 2HB GLU 73 2HB GLU 73 -11.311 7.463 7.463 71 1HG GLU 73 2HG GLU 73 -12.138 5.389 5.389 72 2HG GLU 73 1HG GLU 73 -11.191 4.816 4.816 73 H GLU 74 H GLU 74 -9.113 7.805 7.805 74 HA GLU 74 HA GLU 74 -8.877 5.354 5.354 75 1HB GLU 74 2HB GLU 74 -9.014 8.258 8.258 76 2HB GLU 74 1HB GLU 74 -8.205 7.222 7.222 77 1HG GLU 74 2HG GLU 74 -10.344 5.764 5.764 78 2HG GLU 74 1HG GLU 74 -11.062 7.239 7.239 79 H ALA 75 H ALA 75 -6.772 7.603 7.603 80 HA ALA 75 HA ALA 75 -4.425 7.198 7.198 81 1HB ALA 75 3HB ALA 75 -5.120 8.782 8.782 82 2HB ALA 75 2HB ALA 75 -4.018 7.627 7.627 83 3HB ALA 75 1HB ALA 75 -3.484 8.587 8.587 84 H VAL 76 H VAL 76 -5.515 5.693 5.693 85 HA VAL 76 HA VAL 76 -3.383 3.911 3.911 86 HB VAL 76 HB VAL 76 -5.762 4.465 4.465 87 1HG1 VAL 76 1HG1 VAL 76 -5.565 1.549 1.549 88 2HG1 VAL 76 3HG1 VAL 76 -6.317 2.118 2.118 89 3HG1 VAL 76 2HG1 VAL 76 -6.974 2.607 2.607 90 1HG2 VAL 76 2HG2 VAL 76 -3.484 4.372 4.372 91 2HG2 VAL 76 1HG2 VAL 76 -4.605 3.412 3.412 92 3HG2 VAL 76 3HG2 VAL 76 -3.504 2.615 2.615 93 H ARG 77 H ARG 77 -6.499 3.542 3.542 94 HA ARG 77 HA ARG 77 -6.338 0.869 0.869 95 1HB ARG 77 1HB ARG 77 -8.017 3.005 3.005 96 2HB ARG 77 2HB ARG 77 -7.375 2.520 2.520 97 1HG ARG 77 1HG ARG 77 -8.327 0.420 0.420 98 2HG ARG 77 2HG ARG 77 -8.469 0.462 0.462 99 1HD ARG 77 1HD ARG 77 -10.241 2.101 2.101 100 2HD ARG 77 2HD ARG 77 -10.056 2.186 2.186 101 HE ARG 77 HE ARG 77 -10.574 -0.464 -0.464 102 1HH1 ARG 77 1HH1 ARG 77 -12.182 2.615 2.615 103 2HH1 ARG 77 2HH1 ARG 77 -13.772 1.941 1.941 104 1HH2 ARG 77 1HH2 ARG 77 -12.661 -1.360 -1.360 105 2HH2 ARG 77 2HH2 ARG 77 -14.044 -0.320 -0.320 106 H SER 78 H SER 78 -5.034 3.715 3.715 107 HA SER 78 HA SER 78 -3.664 2.000 2.000 108 1HB SER 78 1HB SER 78 -4.856 4.465 4.465 109 2HB SER 78 2HB SER 78 -3.148 4.888 4.888 110 HG SER 78 HG SER 78 -4.513 3.654 3.654 111 H ALA 79 H ALA 79 -2.969 2.440 2.440 112 HA ALA 79 HA ALA 79 -1.099 2.566 2.566 113 1HB ALA 79 1HB ALA 79 0.012 1.714 1.714 114 2HB ALA 79 3HB ALA 79 1.067 1.979 1.979 115 3HB ALA 79 2HB ALA 79 -0.213 0.768 0.768 116 H THR 80 H THR 80 -1.353 4.812 4.812 117 HA THR 80 HA THR 80 0.892 6.371 6.371 118 HB THR 80 HB THR 80 0.476 6.608 6.608 119 HG1 THR 80 1HG THR 80 -0.724 8.885 8.885 120 1HG2 THR 80 3HG2 THR 80 -2.387 7.223 7.223 121 2HG2 THR 80 2HG2 THR 80 -1.657 7.407 7.407 122 3HG2 THR 80 1HG2 THR 80 -1.774 5.809 5.809 123 H CYS 81 H CYS 81 -0.571 5.935 5.935 124 HA CYS 81 HA CYS 81 -1.963 8.493 8.493 125 1HB CYS 81 2HB CYS 81 -3.062 5.976 5.976 126 2HB CYS 81 1HB CYS 81 -2.582 6.352 6.352 127 HG CYS 81 HG CYS 81 -4.908 7.585 7.585 128 H SER 82 H SER 82 -1.920 9.164 9.164 129 HA SER 82 HA SER 82 0.169 8.194 8.194 130 1HB SER 82 1HB SER 82 0.694 10.515 10.515 131 2HB SER 82 2HB SER 82 1.286 10.619 10.619 132 HG SER 82 HG SER 82 2.661 9.593 9.593 133 H PHE 83 H PHE 83 0.364 9.452 9.452 134 HA PHE 83 HA PHE 83 -1.400 11.612 11.612 135 1HB PHE 83 1HB PHE 83 -2.255 8.828 8.828 136 2HB PHE 83 2HB PHE 83 -2.666 10.154 10.154 137 HD1 PHE 83 HD1 PHE 83 -3.607 12.299 12.299 138 HD2 PHE 83 HD2 PHE 83 -3.874 8.230 8.230 139 HE1 PHE 83 HE1 PHE 83 -5.554 12.849 12.849 140 HE2 PHE 83 HE2 PHE 83 -5.819 8.772 8.772 141 HZ PHE 83 HZ PHE 83 -6.662 11.085 11.085 142 H SER 84 H SER 84 -0.896 12.612 12.612 143 HA SER 84 HA SER 84 1.589 12.083 12.083 144 1HB SER 84 1HB SER 84 0.292 14.279 14.279 145 2HB SER 84 2HB SER 84 -0.645 13.607 13.607 146 HG SER 84 HG SER 84 1.265 14.914 14.914 147 H VAL 85 H VAL 85 2.044 11.491 11.491 148 HA VAL 85 HA VAL 85 0.132 10.251 10.251 149 HB VAL 85 HB VAL 85 0.115 8.559 8.559 150 1HG1 VAL 85 2HG2 VAL 85 3.050 8.506 8.506 151 2HG1 VAL 85 1HG2 VAL 85 2.232 7.079 7.079 152 3HG1 VAL 85 3HG2 VAL 85 2.220 8.587 8.587 153 1HG2 VAL 85 3HG1 VAL 85 -0.273 7.984 7.984 154 2HG2 VAL 85 2HG1 VAL 85 0.326 6.643 6.643 155 3HG2 VAL 85 1HG1 VAL 85 1.422 7.504 7.504 156 H LYS 86 H LYS 86 1.076 9.155 9.155 157 HA LYS 86 HA LYS 86 3.849 10.019 10.019 158 1HB LYS 86 2HB LYS 86 1.405 9.995 9.995 159 2HB LYS 86 1HB LYS 86 2.977 9.778 9.778 160 1HG LYS 86 2HG LYS 86 3.563 11.927 11.927 161 2HG LYS 86 1HG LYS 86 1.817 12.167 12.167 162 1HD LYS 86 1HD LYS 86 1.847 12.319 12.319 163 2HD LYS 86 2HD LYS 86 3.426 11.540 11.540 164 1HE LYS 86 2HE LYS 86 4.468 13.500 13.500 165 2HE LYS 86 1HE LYS 86 3.611 13.931 13.931 166 1HZ LYS 86 2HZ LYS 86 2.134 14.128 14.128 167 2HZ LYS 86 1HZ LYS 86 3.330 15.290 15.290 168 3HZ LYS 86 3HZ LYS 86 2.056 15.104 15.104 169 H TYR 87 H TYR 87 3.896 7.735 7.735 170 HA TYR 87 HA TYR 87 3.307 5.356 5.356 171 1HB TYR 87 1HB TYR 87 4.256 5.467 5.467 172 2HB TYR 87 2HB TYR 87 5.784 6.056 6.056 173 HD1 TYR 87 HD1 TYR 87 3.556 3.213 3.213 174 HD2 TYR 87 HD2 TYR 87 7.419 4.462 4.462 175 HE1 TYR 87 HE1 TYR 87 4.362 0.898 0.898 176 HE2 TYR 87 HE2 TYR 87 8.236 2.150 2.150 177 HH TYR 87 HH2 TYR 87 7.748 0.094 0.094 178 H LEU 88 H LEU 88 4.036 4.161 4.161 179 HA LEU 88 HA LEU 88 5.818 5.382 5.382 180 1HB LEU 88 2HB LEU 88 4.210 2.849 2.849 181 2HB LEU 88 1HB LEU 88 5.410 3.110 3.110 182 HG LEU 88 HG LEU 88 4.229 5.046 5.046 183 1HD1 LEU 88 1HD2 LEU 88 2.330 4.613 4.613 184 2HD1 LEU 88 3HD2 LEU 88 2.117 5.782 5.782 185 3HD1 LEU 88 2HD2 LEU 88 3.465 5.951 5.951 186 1HD2 LEU 88 1HD1 LEU 88 2.796 2.483 2.483 187 2HD2 LEU 88 3HD1 LEU 88 3.286 3.322 3.322 188 3HD2 LEU 88 2HD1 LEU 88 1.854 3.854 3.854 189 H GLY 89 H GLY 89 5.822 2.236 2.236 190 1HA GLY 89 1HA GLY 89 8.228 2.106 2.106 191 2HA GLY 89 2HA GLY 89 8.665 1.939 1.939 192 H CYS 90 H CYS 90 9.509 -0.150 -0.150 193 HA CYS 90 HA CYS 90 7.409 -2.188 -2.188 194 1HB CYS 90 1HB CYS 90 8.973 -3.597 -3.597 195 2HB CYS 90 2HB CYS 90 8.999 -2.015 -2.015 196 HG CYS 90 HG CYS 90 11.441 -2.463 -2.463 197 H VAL 91 H VAL 91 7.462 -3.985 -3.985 198 HA VAL 91 HA VAL 91 9.546 -4.083 -4.083 199 HB VAL 91 HB VAL 91 7.740 -4.728 -4.728 200 1HG1 VAL 91 1HG1 VAL 91 8.461 -2.089 -2.089 201 2HG1 VAL 91 3HG1 VAL 91 6.918 -2.108 -2.108 202 3HG1 VAL 91 2HG1 VAL 91 8.376 -2.690 -2.690 203 1HG2 VAL 91 1HG2 VAL 91 6.048 -3.731 -3.731 204 2HG2 VAL 91 3HG2 VAL 91 5.877 -5.211 -5.211 205 3HG2 VAL 91 2HG2 VAL 91 5.492 -3.652 -3.652 206 H GLU 92 H GLU 92 10.112 -6.116 -6.116 207 HA GLU 92 HA GLU 92 9.508 -8.287 -8.287 208 1HB GLU 92 2HB GLU 92 10.780 -8.684 -8.684 209 2HB GLU 92 1HB GLU 92 11.131 -9.484 -9.484 210 1HG GLU 92 1HG GLU 92 11.926 -7.117 -7.117 211 2HG GLU 92 2HG GLU 92 12.037 -6.827 -6.827 212 H VAL 93 H VAL 93 7.886 -9.694 -9.694 213 HA VAL 93 HA VAL 93 6.535 -10.096 -10.096 214 HB VAL 93 HB VAL 93 4.399 -10.409 -10.409 215 1HG1 VAL 93 2HG1 VAL 93 5.115 -8.312 -8.312 216 2HG1 VAL 93 1HG1 VAL 93 5.502 -7.635 -7.635 217 3HG1 VAL 93 3HG1 VAL 93 3.848 -8.121 -8.121 218 1HG2 VAL 93 1HG2 VAL 93 5.632 -10.683 -10.683 219 2HG2 VAL 93 3HG2 VAL 93 4.177 -9.687 -9.687 220 3HG2 VAL 93 2HG2 VAL 93 5.768 -8.925 -8.925 221 H PHE 94 H PHE 94 4.977 -12.105 -12.105 222 HA PHE 94 HA PHE 94 6.699 -14.280 -14.280 223 1HB PHE 94 1HB PHE 94 4.604 -13.973 -13.973 224 2HB PHE 94 2HB PHE 94 4.677 -15.542 -15.542 225 HD1 PHE 94 HD1 PHE 94 7.414 -13.198 -13.198 226 HD2 PHE 94 HD2 PHE 94 5.591 -16.991 -16.991 227 HE1 PHE 94 HE1 PHE 94 9.284 -13.846 -13.846 228 HE2 PHE 94 HE2 PHE 94 7.458 -17.646 -17.646 229 HZ PHE 94 HZ PHE 94 9.307 -16.072 -16.072 230 H GLU 95 H GLU 95 4.346 -12.515 -12.515 231 HA GLU 95 HA GLU 95 3.709 -14.648 -14.648 232 1HB GLU 95 1HB GLU 95 1.734 -13.529 -13.529 233 2HB GLU 95 2HB GLU 95 1.195 -13.700 -13.700 234 1HG GLU 95 2HG GLU 95 2.532 -15.998 -15.998 235 2HG GLU 95 1HG GLU 95 0.850 -15.628 -15.628 236 H SER 96 H SER 96 2.460 -13.825 -13.825 237 HA SER 96 HA SER 96 2.811 -10.941 -10.941 238 1HB SER 96 1HB SER 96 3.654 -11.368 -11.368 239 2HB SER 96 2HB SER 96 4.718 -12.070 -12.070 240 HG SER 96 HG SER 96 3.410 -13.288 -13.288 241 H ARG 97 H ARG 97 0.509 -12.781 -12.781 242 HA ARG 97 HA ARG 97 -1.198 -11.802 -11.802 243 1HB ARG 97 1HB ARG 97 -2.352 -14.048 -14.048 244 2HB ARG 97 2HB ARG 97 -0.747 -13.996 -13.996 245 1HG ARG 97 2HG ARG 97 0.211 -15.164 -15.164 246 2HG ARG 97 1HG ARG 97 -1.205 -14.909 -14.909 247 1HD ARG 97 1HD ARG 97 -1.064 -16.627 -16.627 248 2HD ARG 97 2HD ARG 97 -1.147 -17.197 -17.197 249 HE ARG 97 HE ARG 97 -3.368 -15.672 -15.672 250 1HH1 ARG 97 2HH2 ARG 97 -2.048 -18.296 -18.296 251 2HH1 ARG 97 1HH2 ARG 97 -3.595 -18.875 -18.875 252 1HH2 ARG 97 2HH1 ARG 97 -5.411 -16.426 -16.426 253 2HH2 ARG 97 1HH1 ARG 97 -5.508 -17.812 -17.812 254 H GLY 98 H GLY 98 -3.566 -12.198 -12.198 255 1HA GLY 98 1HA GLY 98 -5.312 -12.285 -12.285 256 2HA GLY 98 2HA GLY 98 -4.130 -12.491 -12.491 257 H MET 99 H MET 99 -6.418 -10.741 -10.741 258 HA MET 99 HA MET 99 -5.352 -8.061 -8.061 259 1HB MET 99 2HB MET 99 -7.822 -8.982 -8.982 260 2HB MET 99 1HB MET 99 -7.979 -8.561 -8.561 261 1HG MET 99 1HG MET 99 -6.754 -6.353 -6.353 262 2HG MET 99 2HG MET 99 -7.958 -6.861 -6.861 263 1HE MET 99 3HE MET 99 -7.267 -4.535 -4.535 264 2HE MET 99 2HE MET 99 -8.648 -4.350 -4.350 265 3HE MET 99 1HE MET 99 -7.493 -5.658 -5.658 266 H GLN 100 H GLN 100 -5.807 -10.395 -10.395 267 HA GLN 100 HA GLN 100 -5.887 -8.682 -8.682 268 1HB GLN 100 1HB GLN 100 -4.744 -11.478 -11.478 269 2HB GLN 100 2HB GLN 100 -5.275 -10.643 -10.643 270 1HG GLN 100 2HG GLN 100 -7.519 -10.519 -10.519 271 2HG GLN 100 1HG GLN 100 -6.830 -12.046 -12.046 272 1HE2 GLN 100 2HE2 GLN 100 -8.547 -13.504 -13.504 273 2HE2 GLN 100 1HE2 GLN 100 -8.403 -13.302 -13.302 274 H VAL 101 H VAL 101 -3.192 -10.193 -10.193 275 HA VAL 101 HA VAL 101 -1.152 -9.347 -9.347 276 HB VAL 101 HB VAL 101 -0.909 -9.888 -9.888 277 1HG1 VAL 101 2HG1 VAL 101 0.977 -8.725 -8.725 278 2HG1 VAL 101 1HG1 VAL 101 1.245 -10.342 -10.342 279 3HG1 VAL 101 3HG1 VAL 101 1.375 -10.055 -10.055 280 1HG2 VAL 101 2HG2 VAL 101 -1.104 -11.690 -11.690 281 2HG2 VAL 101 1HG2 VAL 101 -1.775 -11.877 -11.877 282 3HG2 VAL 101 3HG2 VAL 101 -0.056 -12.151 -12.151 283 H CYS 102 H CYS 102 -2.808 -7.764 -7.764 284 HA CYS 102 HA CYS 102 -0.936 -5.650 -5.650 285 1HB CYS 102 2HB CYS 102 -3.868 -5.846 -5.846 286 2HB CYS 102 1HB CYS 102 -2.809 -4.533 -4.533 287 HG CYS 102 HG CYS 102 -1.723 -6.010 -6.010 288 H GLU 103 H GLU 103 -4.169 -5.685 -5.685 289 HA GLU 103 HA GLU 103 -4.226 -3.142 -3.142 290 1HB GLU 103 2HB GLU 103 -5.704 -5.511 -5.511 291 2HB GLU 103 1HB GLU 103 -5.274 -4.962 -4.962 292 1HG GLU 103 1HG GLU 103 -6.341 -2.871 -2.871 293 2HG GLU 103 2HG GLU 103 -6.547 -3.179 -3.179 294 H GLU 104 H GLU 104 -2.580 -5.957 -5.957 295 HA GLU 104 HA GLU 104 -1.730 -4.530 -4.530 296 1HB GLU 104 1HB GLU 104 -0.597 -6.594 -6.594 297 2HB GLU 104 2HB GLU 104 -2.238 -6.948 -6.948 298 1HG GLU 104 1HG GLU 104 -1.418 -7.659 -7.659 299 2HG GLU 104 2HG GLU 104 0.230 -7.250 -7.250 300 H ALA 105 H ALA 105 -0.278 -5.710 -5.710 301 HA ALA 105 HA ALA 105 2.384 -5.182 -5.182 302 1HB ALA 105 2HB ALA 105 0.819 -4.849 -4.849 303 2HB ALA 105 1HB ALA 105 2.579 -4.813 -4.813 304 3HB ALA 105 3HB ALA 105 1.702 -6.278 -6.278 305 H LEU 106 H LEU 106 -0.076 -2.931 -2.931 306 HA LEU 106 HA LEU 106 1.521 -0.688 -0.688 307 1HB LEU 106 1HB LEU 106 -1.177 -1.259 -1.259 308 2HB LEU 106 2HB LEU 106 -1.101 -0.077 -0.077 309 HG LEU 106 HG LEU 106 0.289 0.469 0.469 310 1HD1 LEU 106 2HD2 LEU 106 -2.652 0.792 0.792 311 2HD1 LEU 106 1HD2 LEU 106 -1.797 1.622 1.622 312 3HD1 LEU 106 3HD2 LEU 106 -1.897 -0.139 -0.139 313 1HD2 LEU 106 1HD1 LEU 106 0.586 1.887 1.887 314 2HD2 LEU 106 3HD1 LEU 106 0.018 2.741 2.741 315 3HD2 LEU 106 2HD1 LEU 106 -1.115 2.325 2.325 316 H LYS 107 H LYS 107 -0.324 -1.662 -1.662 317 HA LYS 107 HA LYS 107 0.353 0.402 0.402 318 1HB LYS 107 2HB LYS 107 -1.259 -1.126 -1.126 319 2HB LYS 107 1HB LYS 107 -0.230 -2.514 -2.514 320 1HG LYS 107 2HG LYS 107 0.618 -0.522 -0.522 321 2HG LYS 107 1HG LYS 107 -0.649 -1.687 -1.687 322 1HD LYS 107 2HD LYS 107 1.674 -2.885 -2.885 323 2HD LYS 107 1HD LYS 107 2.052 -2.123 -2.123 324 1HE LYS 107 1HE LYS 107 -0.393 -3.706 -3.706 325 2HE LYS 107 2HE LYS 107 1.033 -4.655 -4.655 326 1HZ LYS 107 2HZ LYS 107 1.979 -3.253 -3.253 327 2HZ LYS 107 1HZ LYS 107 0.352 -3.339 -3.339 328 3HZ LYS 107 3HZ LYS 107 1.230 -4.759 -4.759 329 H VAL 108 H VAL 108 2.157 -2.537 -2.537 330 HA VAL 108 HA VAL 108 4.223 -2.137 -2.137 331 HB VAL 108 HB VAL 108 4.730 -3.590 -3.590 332 1HG1 VAL 108 2HG1 VAL 108 6.486 -3.382 -3.382 333 2HG1 VAL 108 1HG1 VAL 108 5.428 -4.194 -4.194 334 3HG1 VAL 108 3HG1 VAL 108 6.005 -5.056 -5.056 335 1HG2 VAL 108 2HG2 VAL 108 2.631 -4.211 -4.211 336 2HG2 VAL 108 1HG2 VAL 108 2.791 -4.708 -4.708 337 3HG2 VAL 108 3HG2 VAL 108 3.692 -5.554 -5.554 338 H LEU 109 H LEU 109 3.777 -1.080 -1.080 339 HA LEU 109 HA LEU 109 6.346 -0.254 -0.254 340 1HB LEU 109 1HB LEU 109 3.666 0.271 0.271 341 2HB LEU 109 2HB LEU 109 4.664 1.708 1.708 342 HG LEU 109 HG LEU 109 4.862 0.617 0.617 343 1HD1 LEU 109 1HD2 LEU 109 7.103 0.823 0.823 344 2HD1 LEU 109 3HD2 LEU 109 7.332 -0.566 -0.566 345 3HD1 LEU 109 2HD2 LEU 109 7.037 1.033 1.033 346 1HD2 LEU 109 1HD1 LEU 109 4.995 -1.854 -1.854 347 2HD2 LEU 109 3HD1 LEU 109 4.061 -1.515 -1.515 348 3HD2 LEU 109 2HD1 LEU 109 5.791 -1.838 -1.838 349 H ARG 110 H ARG 110 3.851 1.398 1.398 350 HA ARG 110 HA ARG 110 5.393 3.800 3.800 351 1HB ARG 110 2HB ARG 110 2.759 2.791 2.791 352 2HB ARG 110 1HB ARG 110 3.530 3.949 3.949 353 1HG ARG 110 1HG ARG 110 3.281 5.669 5.669 354 2HG ARG 110 2HG ARG 110 3.479 4.646 4.646 355 1HD ARG 110 1HD ARG 110 1.276 4.297 4.297 356 2HD ARG 110 2HD ARG 110 1.067 4.059 4.059 357 HE ARG 110 HE ARG 110 1.498 6.800 6.800 358 1HH1 ARG 110 1HH1 ARG 110 -0.866 4.280 4.280 359 2HH1 ARG 110 2HH1 ARG 110 -2.184 5.378 5.378 360 1HH2 ARG 110 1HH2 ARG 110 -0.228 8.256 8.256 361 2HH2 ARG 110 2HH2 ARG 110 -1.821 7.639 7.639 362 H GLN 111 H GLN 111 4.422 1.162 1.162 363 HA GLN 111 HA GLN 111 5.716 1.944 1.944 364 1HB GLN 111 1HB GLN 111 5.038 -0.726 -0.726 365 2HB GLN 111 2HB GLN 111 6.023 -0.660 -0.660 366 1HG GLN 111 1HG GLN 111 3.547 0.954 0.954 367 2HG GLN 111 2HG GLN 111 3.363 -0.798 -0.798 368 1HE2 GLN 111 2HE2 GLN 111 3.591 -0.567 -0.567 369 2HE2 GLN 111 1HE2 GLN 111 2.647 -0.974 -0.974 370 H SER 112 H SER 112 7.076 0.382 0.382 371 HA SER 112 HA SER 112 9.647 -0.071 -0.071 372 1HB SER 112 1HB SER 112 8.342 -0.923 -0.923 373 2HB SER 112 2HB SER 112 9.649 0.093 0.093 374 HG SER 112 HG SER 112 9.865 -2.368 -2.368 375 H ARG 113 H ARG 113 11.423 0.815 0.815 376 HA ARG 113 HA ARG 113 11.386 3.702 3.702 377 1HB ARG 113 2HB ARG 113 13.870 3.075 3.075 378 2HB ARG 113 1HB ARG 113 13.519 3.376 3.376 379 1HG ARG 113 2HG ARG 113 14.681 1.361 1.361 380 2HG ARG 113 1HG ARG 113 12.990 0.883 0.883 381 1HD ARG 113 1HD ARG 113 13.312 -0.462 -0.462 382 2HD ARG 113 2HD ARG 113 13.411 0.990 0.990 383 HE ARG 113 HE ARG 113 15.934 0.702 0.702 384 1HH1 ARG 113 1HH1 ARG 113 13.725 -1.426 -1.426 385 2HH1 ARG 113 2HH1 ARG 113 14.978 -2.326 -2.326 386 1HH2 ARG 113 1HH2 ARG 113 17.591 -0.477 -0.477 387 2HH2 ARG 113 2HH2 ARG 113 17.176 -1.786 -1.786 388 H ARG 114 H ARG 114 9.792 2.476 2.476 389 HA ARG 114 HA ARG 114 11.101 3.226 3.226 390 1HB ARG 114 2HB ARG 114 8.521 1.867 1.867 391 2HB ARG 114 1HB ARG 114 8.757 2.527 2.527 392 1HG ARG 114 2HG ARG 114 10.594 0.526 0.526 393 2HG ARG 114 1HG ARG 114 9.276 0.109 0.109 394 1HD ARG 114 1HD ARG 114 10.666 0.407 0.407 395 2HD ARG 114 2HD ARG 114 10.747 2.119 2.119 396 HE ARG 114 HE ARG 114 12.839 1.777 1.777 397 1HH1 ARG 114 1HH1 ARG 114 11.284 -1.299 -1.299 398 2HH1 ARG 114 2HH1 ARG 114 12.714 -2.220 -2.220 399 1HH2 ARG 114 1HH2 ARG 114 14.725 0.573 0.573 400 2HH2 ARG 114 2HH2 ARG 114 14.670 -1.156 -1.156 401 H ARG 115 H ARG 115 11.274 5.489 5.489 402 HA ARG 115 HA ARG 115 9.141 7.158 7.158 403 1HB ARG 115 1HB ARG 115 11.768 7.652 7.652 404 2HB ARG 115 2HB ARG 115 10.619 8.955 8.955 405 1HG ARG 115 1HG ARG 115 10.726 8.628 8.628 406 2HG ARG 115 2HG ARG 115 11.760 7.213 7.213 407 1HD ARG 115 2HD ARG 115 12.412 10.094 10.094 408 2HD ARG 115 1HD ARG 115 13.183 9.014 9.014 409 HE ARG 115 HE ARG 115 13.801 9.268 9.268 410 1HH1 ARG 115 1HH1 ARG 115 13.684 7.002 7.002 411 2HH1 ARG 115 2HH1 ARG 115 14.903 5.966 5.966 412 1HH2 ARG 115 1HH2 ARG 115 15.408 7.911 7.911 413 2HH2 ARG 115 2HH2 ARG 115 15.883 6.483 6.483 414 HA PRO 116 HA PRO 116 6.762 7.057 7.057 415 1HB PRO 116 2HB PRO 116 5.666 9.622 9.622 416 2HB PRO 116 1HB PRO 116 4.826 8.124 8.124 417 1HG PRO 116 1HG PRO 116 5.122 8.894 8.894 418 2HG PRO 116 2HG PRO 116 5.201 7.185 7.185 419 1HD PRO 116 1HD PRO 116 7.422 9.078 9.078 420 2HD PRO 116 2HD PRO 116 7.235 7.363 7.363 421 H VAL 117 H VAL 117 6.487 8.294 8.294 422 HA VAL 117 HA VAL 117 8.598 10.292 10.292 423 HB VAL 117 HB VAL 117 7.921 9.791 9.791 424 1HG1 VAL 117 1HG1 VAL 117 10.037 9.180 9.180 425 2HG1 VAL 117 3HG1 VAL 117 9.493 7.563 7.563 426 3HG1 VAL 117 2HG1 VAL 117 9.906 8.738 8.738 427 1HG2 VAL 117 1HG2 VAL 117 6.102 8.183 8.183 428 2HG2 VAL 117 3HG2 VAL 117 6.973 7.771 7.771 429 3HG2 VAL 117 2HG2 VAL 117 7.452 7.048 7.048 430 H ARG 118 H ARG 118 7.902 11.706 11.706 431 HA ARG 118 HA ARG 118 5.136 12.567 12.567 432 1HB ARG 118 2HB ARG 118 6.485 13.817 13.817 433 2HB ARG 118 1HB ARG 118 7.325 14.595 14.595 434 1HG ARG 118 2HG ARG 118 4.842 15.108 15.108 435 2HG ARG 118 1HG ARG 118 4.547 14.948 14.948 436 1HD ARG 118 1HD ARG 118 6.081 16.686 16.686 437 2HD ARG 118 2HD ARG 118 6.702 16.710 16.710 438 HE ARG 118 HE ARG 118 4.106 17.325 17.325 439 1HH1 ARG 118 1HH1 ARG 118 6.557 18.575 18.575 440 2HH1 ARG 118 2HH1 ARG 118 5.883 20.170 20.170 441 1HH2 ARG 118 1HH2 ARG 118 3.209 19.422 19.422 442 2HH2 ARG 118 2HH2 ARG 118 3.979 20.651 20.651 443 H GLY 119 H GLY 119 5.509 11.529 11.529 444 1HA GLY 119 2HA GLY 119 6.280 13.634 13.634 445 2HA GLY 119 1HA GLY 119 6.970 12.030 12.030 446 H LEU 120 H LEU 120 6.060 11.125 11.125 447 HA LEU 120 HA LEU 120 3.128 11.058 11.058 448 1HB LEU 120 2HB LEU 120 3.972 12.805 12.805 449 2HB LEU 120 1HB LEU 120 4.959 11.603 11.603 450 HG LEU 120 HG LEU 120 2.433 10.510 10.510 451 1HD1 LEU 120 3HD2 LEU 120 1.456 12.592 12.592 452 2HD1 LEU 120 2HD2 LEU 120 2.210 13.478 13.478 453 3HD1 LEU 120 1HD2 LEU 120 0.972 12.268 12.268 454 1HD2 LEU 120 3HD1 LEU 120 4.413 11.659 11.659 455 2HD2 LEU 120 2HD1 LEU 120 3.309 10.314 10.314 456 3HD2 LEU 120 1HD1 LEU 120 2.785 11.967 11.967 457 H LEU 121 H LEU 121 2.237 9.174 9.174 458 HA LEU 121 HA LEU 121 4.060 6.922 6.922 459 1HB LEU 121 1HB LEU 121 2.374 6.513 6.513 460 2HB LEU 121 2HB LEU 121 1.109 7.114 7.114 461 HG LEU 121 HG LEU 121 1.659 5.135 5.135 462 1HD1 LEU 121 1HD1 LEU 121 3.843 4.768 4.768 463 2HD1 LEU 121 3HD1 LEU 121 2.778 3.836 3.836 464 3HD1 LEU 121 2HD1 LEU 121 2.950 3.390 3.390 465 1HD2 LEU 121 3HD2 LEU 121 0.484 4.710 4.710 466 2HD2 LEU 121 2HD2 LEU 121 -0.371 5.173 5.173 467 3HD2 LEU 121 1HD2 LEU 121 0.341 3.564 3.564 468 H HIS 122 H HIS 122 4.480 6.103 6.103 469 HA HIS 122 HA HIS 122 3.074 7.116 7.116 470 1HB HIS 122 2HB HIS 122 5.463 5.295 5.295 471 2HB HIS 122 1HB HIS 122 4.788 5.740 5.740 472 HD1 HIS 122 HD1 HIS 122 6.541 7.289 7.289 473 HD2 HIS 122 HD2 HIS 122 5.548 8.183 8.183 474 HE1 HIS 122 HE1 HIS 122 7.750 9.436 9.436 475 H VAL 123 H VAL 123 1.136 6.211 6.211 476 HA VAL 123 HA VAL 123 0.929 3.275 3.275 477 HB VAL 123 HB VAL 123 -1.274 5.340 5.340 478 1HG1 VAL 123 2HG1 VAL 123 -1.851 3.169 3.169 479 2HG1 VAL 123 1HG1 VAL 123 -1.528 2.367 2.367 480 3HG1 VAL 123 3HG1 VAL 123 -2.816 3.566 3.566 481 1HG2 VAL 123 2HG2 VAL 123 0.290 4.983 4.983 482 2HG2 VAL 123 1HG2 VAL 123 -1.449 4.871 4.871 483 3HG2 VAL 123 3HG2 VAL 123 -0.480 3.402 3.402 484 H SER 124 H SER 124 1.325 2.515 2.515 485 HA SER 124 HA SER 124 -0.163 3.728 3.728 486 1HB SER 124 1HB SER 124 2.340 2.430 2.430 487 2HB SER 124 2HB SER 124 1.698 4.007 4.007 488 HG SER 124 HG SER 124 3.660 3.502 3.502 489 H GLY 125 H GLY 125 -1.091 1.565 1.565 490 1HA GLY 125 2HA GLY 125 -1.712 -0.668 -0.668 491 2HA GLY 125 1HA GLY 125 -2.085 -0.204 -0.204 492 H ASP 126 H ASP 126 1.006 -0.720 -0.720 493 HA ASP 126 HA ASP 126 1.557 -3.127 -3.127 494 1HB ASP 126 1HB ASP 126 2.034 -1.056 -1.056 495 2HB ASP 126 2HB ASP 126 3.495 -0.915 -0.915 496 H GLY 127 H GLY 127 2.874 -0.464 -0.464 497 1HA GLY 127 2HA GLY 127 3.862 -2.234 -2.234 498 2HA GLY 127 1HA GLY 127 5.175 -1.683 -1.683 499 H LEU 128 H LEU 128 3.579 -1.082 -1.082 500 HA LEU 128 HA LEU 128 3.397 1.737 1.737 501 1HB LEU 128 1HB LEU 128 3.863 -0.136 -0.136 502 2HB LEU 128 2HB LEU 128 3.304 1.516 1.516 503 HG LEU 128 HG LEU 128 1.203 0.791 0.791 504 1HD1 LEU 128 2HD2 LEU 128 1.561 1.027 1.027 505 2HD1 LEU 128 1HD2 LEU 128 1.552 -0.736 -0.736 506 3HD1 LEU 128 3HD2 LEU 128 0.146 0.150 0.150 507 1HD2 LEU 128 3HD1 LEU 128 2.117 -1.252 -1.252 508 2HD2 LEU 128 2HD1 LEU 128 0.672 -1.566 -1.566 509 3HD2 LEU 128 1HD1 LEU 128 2.265 -1.958 -1.958 510 H ARG 129 H ARG 129 4.861 3.296 3.296 511 HA ARG 129 HA ARG 129 7.506 2.561 2.561 512 1HB ARG 129 1HB ARG 129 7.079 4.237 4.237 513 2HB ARG 129 2HB ARG 129 8.627 3.869 3.869 514 1HG ARG 129 2HG ARG 129 7.649 1.375 1.375 515 2HG ARG 129 1HG ARG 129 6.943 2.241 2.241 516 1HD ARG 129 2HD ARG 129 9.823 2.668 2.668 517 2HD ARG 129 1HD ARG 129 9.343 1.142 1.142 518 HE ARG 129 HE ARG 129 9.421 3.720 3.720 519 1HH1 ARG 129 2HH1 ARG 129 7.899 0.588 0.588 520 2HH1 ARG 129 1HH1 ARG 129 7.465 0.678 0.678 521 1HH2 ARG 129 1HH2 ARG 129 8.855 3.849 3.849 522 2HH2 ARG 129 2HH2 ARG 129 8.009 2.532 2.532 523 H VAL 130 H VAL 130 6.916 3.594 3.594 524 HA VAL 130 HA VAL 130 5.986 6.304 6.304 525 HB VAL 130 HB VAL 130 5.324 4.802 4.802 526 1HG1 VAL 130 1HG2 VAL 130 8.280 4.569 4.569 527 2HG1 VAL 130 3HG2 VAL 130 7.133 4.240 4.240 528 3HG1 VAL 130 2HG2 VAL 130 7.080 3.289 3.289 529 1HG2 VAL 130 2HG1 VAL 130 5.464 7.192 7.192 530 2HG2 VAL 130 1HG1 VAL 130 5.834 6.215 6.215 531 3HG2 VAL 130 3HG1 VAL 130 7.138 6.987 6.987 532 H VAL 131 H VAL 131 7.072 8.155 8.155 533 HA VAL 131 HA VAL 131 9.961 8.004 8.004 534 HB VAL 131 HB VAL 131 8.820 10.013 10.013 535 1HG1 VAL 131 2HG1 VAL 131 11.427 9.436 9.436 536 2HG1 VAL 131 1HG1 VAL 131 11.458 9.507 9.507 537 3HG1 VAL 131 3HG1 VAL 131 10.851 10.879 10.879 538 1HG2 VAL 131 2HG2 VAL 131 9.474 7.188 7.188 539 2HG2 VAL 131 1HG2 VAL 131 8.444 8.286 8.286 540 3HG2 VAL 131 3HG2 VAL 131 10.194 8.326 8.326 541 H ASP 132 H ASP 132 10.838 9.866 9.866 542 HA ASP 132 HA ASP 132 8.832 11.305 11.305 543 1HB ASP 132 2HB ASP 132 10.577 10.185 10.185 544 2HB ASP 132 1HB ASP 132 11.824 11.036 11.036 545 H ASP 133 H ASP 133 8.855 13.571 13.571 546 HA ASP 133 HA ASP 133 9.851 14.948 14.948 547 1HB ASP 133 2HB ASP 133 7.463 15.151 15.151 548 2HB ASP 133 1HB ASP 133 8.223 16.246 16.246 549 H GLU 134 H GLU 134 11.530 14.109 14.109 550 HA GLU 134 HA GLU 134 12.760 16.745 16.745 551 1HB GLU 134 1HB GLU 134 11.588 15.882 15.882 552 2HB GLU 134 2HB GLU 134 12.681 14.506 14.506 553 1HG GLU 134 1HG GLU 134 14.433 15.707 15.707 554 2HG GLU 134 2HG GLU 134 13.924 17.184 17.184 555 H THR 135 H THR 135 13.231 13.248 13.248 556 HA THR 135 HA THR 135 16.065 13.719 13.719 557 HB THR 135 HB THR 135 16.484 11.424 11.424 558 HG1 THR 135 1HG THR 135 14.904 10.106 10.106 559 1HG2 THR 135 3HG2 THR 135 15.707 13.528 13.528 560 2HG2 THR 135 2HG2 THR 135 15.053 12.031 12.031 561 3HG2 THR 135 1HG2 THR 135 16.781 12.172 12.172 562 H LYS 136 H LYS 136 13.061 12.531 12.531 563 HA LYS 136 HA LYS 136 12.416 11.609 11.609 564 1HB LYS 136 2HB LYS 136 15.051 12.835 12.835 565 2HB LYS 136 1HB LYS 136 14.124 11.906 11.906 566 1HG LYS 136 2HG LYS 136 13.064 14.289 14.289 567 2HG LYS 136 1HG LYS 136 13.744 14.346 14.346 568 1HD LYS 136 1HD LYS 136 11.914 12.332 12.332 569 2HD LYS 136 2HD LYS 136 11.118 13.430 13.430 570 1HE LYS 136 1HE LYS 136 10.417 14.444 14.444 571 2HE LYS 136 2HE LYS 136 12.012 15.194 15.194 572 1HZ LYS 136 1HZ LYS 136 12.789 13.297 13.297 573 2HZ LYS 136 3HZ LYS 136 11.168 12.864 12.864 574 3HZ LYS 136 2HZ LYS 136 11.721 14.365 14.365 575 H GLY 137 H GLY 137 14.074 10.081 10.081 576 1HA GLY 137 1HA GLY 137 15.480 8.141 8.141 577 2HA GLY 137 2HA GLY 137 15.346 8.126 8.126 578 H LEU 138 H LEU 138 14.529 6.492 6.492 579 HA LEU 138 HA LEU 138 11.851 5.802 5.802 580 1HB LEU 138 1HB LEU 138 13.652 5.175 5.175 581 2HB LEU 138 2HB LEU 138 13.934 3.785 3.785 582 HG LEU 138 HG LEU 138 11.962 2.773 2.773 583 1HD1 LEU 138 3HD1 LEU 138 10.801 5.468 5.468 584 2HD1 LEU 138 2HD1 LEU 138 9.965 3.921 3.921 585 3HD1 LEU 138 1HD1 LEU 138 10.447 4.507 4.507 586 1HD2 LEU 138 2HD2 LEU 138 12.897 4.457 4.457 587 2HD2 LEU 138 1HD2 LEU 138 13.047 2.717 2.717 588 3HD2 LEU 138 3HD2 LEU 138 11.489 3.413 3.413 589 H ILE 139 H ILE 139 10.726 4.502 4.502 590 HA ILE 139 HA ILE 139 12.257 3.194 3.194 591 HB ILE 139 HB ILE 139 9.320 3.779 3.779 592 1HG1 ILE 139 2HG1 ILE 139 11.566 5.654 5.654 593 2HG1 ILE 139 1HG1 ILE 139 10.472 5.891 5.891 594 1HG2 ILE 139 3HG2 ILE 139 10.450 2.258 2.258 595 2HG2 ILE 139 2HG2 ILE 139 11.415 3.638 3.638 596 3HG2 ILE 139 1HG2 ILE 139 9.663 3.662 3.662 597 1HD1 ILE 139 3HD1 ILE 139 8.592 5.865 5.865 598 2HD1 ILE 139 2HD1 ILE 139 9.842 5.989 5.989 599 3HD1 ILE 139 1HD1 ILE 139 9.668 7.262 7.262 600 H VAL 140 H VAL 140 9.498 2.712 2.712 601 HA VAL 140 HA VAL 140 9.850 -0.186 -0.186 602 HB VAL 140 HB VAL 140 7.184 1.185 1.185 603 1HG1 VAL 140 2HG1 VAL 140 8.014 -1.686 -1.686 604 2HG1 VAL 140 1HG1 VAL 140 6.377 -1.142 -1.142 605 3HG1 VAL 140 3HG1 VAL 140 7.028 -0.948 -0.948 606 1HG2 VAL 140 2HG2 VAL 140 8.706 0.383 0.383 607 2HG2 VAL 140 1HG2 VAL 140 7.529 1.677 1.677 608 3HG2 VAL 140 3HG2 VAL 140 6.981 0.013 0.013 609 H ASP 141 H ASP 141 11.086 -0.245 -0.245 610 HA ASP 141 HA ASP 141 9.682 0.463 0.463 611 1HB ASP 141 2HB ASP 141 11.935 1.297 1.297 612 2HB ASP 141 1HB ASP 141 12.558 -0.288 -0.288 613 H GLN 142 H GLN 142 8.209 -1.398 -1.398 614 HA GLN 142 HA GLN 142 9.317 -3.890 -3.890 615 1HB GLN 142 1HB GLN 142 7.631 -3.433 -3.433 616 2HB GLN 142 2HB GLN 142 7.307 -4.872 -4.872 617 1HG GLN 142 1HG GLN 142 8.870 -5.831 -5.831 618 2HG GLN 142 2HG GLN 142 10.018 -4.964 -4.964 619 1HE2 GLN 142 2HE2 GLN 142 9.957 -4.273 -4.273 620 2HE2 GLN 142 1HE2 GLN 142 9.251 -5.638 -5.638 621 H THR 143 H THR 143 7.300 -5.386 -5.386 622 HA THR 143 HA THR 143 5.763 -3.847 -3.847 623 HB THR 143 HB THR 143 5.574 -6.823 -6.823 624 HG1 THR 143 1HG THR 143 7.711 -6.765 -6.765 625 1HG2 THR 143 3HG2 THR 143 5.265 -4.817 -4.817 626 2HG2 THR 143 2HG2 THR 143 5.903 -6.400 -6.400 627 3HG2 THR 143 1HG2 THR 143 4.330 -6.270 -6.270 628 H ILE 144 H ILE 144 3.448 -4.698 -4.698 629 HA ILE 144 HA ILE 144 2.134 -4.771 -4.771 630 HB ILE 144 HB ILE 144 1.681 -2.826 -2.826 631 1HG1 ILE 144 1HG1 ILE 144 -0.865 -4.323 -4.323 632 2HG1 ILE 144 2HG1 ILE 144 0.167 -3.836 -3.836 633 1HG2 ILE 144 3HG2 ILE 144 1.502 -4.480 -4.480 634 2HG2 ILE 144 2HG2 ILE 144 -0.186 -4.586 -4.586 635 3HG2 ILE 144 1HG2 ILE 144 0.506 -3.027 -3.027 636 1HD1 ILE 144 1HD1 ILE 144 -0.240 -1.628 -1.628 637 2HD1 ILE 144 3HD1 ILE 144 -1.786 -2.317 -2.317 638 3HD1 ILE 144 2HD1 ILE 144 -0.629 -1.777 -1.777 639 H GLU 145 H GLU 145 2.687 -6.605 -6.605 640 HA GLU 145 HA GLU 145 0.363 -8.315 -8.315 641 1HB GLU 145 1HB GLU 145 0.876 -9.344 -9.344 642 2HB GLU 145 2HB GLU 145 1.009 -7.605 -7.605 643 1HG GLU 145 1HG GLU 145 3.526 -7.999 -7.999 644 2HG GLU 145 2HG GLU 145 3.159 -9.673 -9.673 645 H LYS 146 H LYS 146 3.884 -8.385 -8.385 646 HA LYS 146 HA LYS 146 3.974 -11.177 -11.177 647 1HB LYS 146 1HB LYS 146 6.060 -9.007 -9.007 648 2HB LYS 146 2HB LYS 146 6.432 -10.613 -10.613 649 1HG LYS 146 1HG LYS 146 5.550 -11.525 -11.525 650 2HG LYS 146 2HG LYS 146 5.505 -9.861 -9.861 651 1HD LYS 146 1HD LYS 146 7.569 -10.687 -10.687 652 2HD LYS 146 2HD LYS 146 7.963 -9.740 -9.740 653 1HE LYS 146 2HE LYS 146 8.887 -11.520 -11.520 654 2HE LYS 146 1HE LYS 146 7.365 -12.401 -12.401 655 1HZ LYS 146 1HZ LYS 146 8.110 -12.795 -12.795 656 2HZ LYS 146 3HZ LYS 146 9.654 -12.373 -12.373 657 3HZ LYS 146 2HZ LYS 146 8.848 -13.699 -13.699 658 H VAL 147 H VAL 147 3.773 -8.125 -8.125 659 HA VAL 147 HA VAL 147 4.780 -8.937 -8.937 660 HB VAL 147 HB VAL 147 4.665 -6.578 -6.578 661 1HG1 VAL 147 2HG2 VAL 147 1.694 -7.027 -7.027 662 2HG1 VAL 147 1HG2 VAL 147 2.440 -5.430 -5.430 663 3HG1 VAL 147 3HG2 VAL 147 2.652 -6.503 -6.503 664 1HG2 VAL 147 2HG1 VAL 147 4.525 -7.421 -7.421 665 2HG2 VAL 147 1HG1 VAL 147 4.199 -5.722 -5.722 666 3HG2 VAL 147 3HG1 VAL 147 2.863 -6.838 -6.838 667 H SER 148 H SER 148 3.402 -8.998 -8.998 668 HA SER 148 HA SER 148 1.360 -10.951 -10.951 669 1HB SER 148 1HB SER 148 2.632 -9.535 -9.535 670 2HB SER 148 2HB SER 148 1.097 -10.359 -10.359 671 HG SER 148 HG SER 148 2.049 -12.237 -12.237 672 H PHE 149 H PHE 149 1.186 -7.676 -7.676 673 HA PHE 149 HA PHE 149 -0.632 -6.365 -6.365 674 1HB PHE 149 1HB PHE 149 -2.484 -8.303 -8.303 675 2HB PHE 149 2HB PHE 149 -2.830 -7.174 -7.174 676 HD1 PHE 149 HD2 PHE 149 -0.579 -7.820 -7.820 677 HD2 PHE 149 HD1 PHE 149 -3.169 -10.338 -10.338 678 HE1 PHE 149 HE2 PHE 149 -0.249 -9.620 -9.620 679 HE2 PHE 149 HE1 PHE 149 -2.845 -12.143 -12.143 680 HZ PHE 149 HZ PHE 149 -1.384 -11.786 -11.786 681 H CYS 150 H CYS 150 -2.812 -5.723 -5.723 682 HA CYS 150 HA CYS 150 -1.675 -5.149 -5.149 683 1HB CYS 150 2HB CYS 150 -2.590 -2.868 -2.868 684 2HB CYS 150 1HB CYS 150 -1.414 -3.168 -3.168 685 HG CYS 150 HG CYS 150 -4.015 -2.086 -2.086 686 H ALA 151 H ALA 151 -3.705 -3.792 -3.792 687 HA ALA 151 HA ALA 151 -6.254 -4.980 -4.980 688 1HB ALA 151 1HB ALA 151 -4.437 -6.406 -6.406 689 2HB ALA 151 3HB ALA 151 -5.795 -5.831 -5.831 690 3HB ALA 151 2HB ALA 151 -6.087 -6.823 -6.823 691 HA PRO 152 HA PRO 152 -5.880 -0.836 -0.836 692 1HB PRO 152 1HB PRO 152 -7.865 -0.242 -0.242 693 2HB PRO 152 2HB PRO 152 -6.567 0.768 0.768 694 1HG PRO 152 1HG PRO 152 -6.329 -0.404 -0.404 695 2HG PRO 152 2HG PRO 152 -4.940 -0.277 -0.277 696 1HD PRO 152 1HD PRO 152 -6.650 -2.642 -2.642 697 2HD PRO 152 2HD PRO 152 -4.909 -2.560 -2.560 698 H ASP 153 H ASP 153 -7.043 -1.190 -1.190 699 HA ASP 153 HA ASP 153 -9.862 -0.960 -0.960 700 1HB ASP 153 1HB ASP 153 -8.795 -3.634 -3.634 701 2HB ASP 153 2HB ASP 153 -9.732 -3.495 -3.495 702 H ARG 154 H ARG 154 -9.591 0.529 0.529 703 HA ARG 154 HA ARG 154 -9.712 -0.329 -0.329 704 1HB ARG 154 1HB ARG 154 -7.653 0.120 0.120 705 2HB ARG 154 2HB ARG 154 -7.232 -0.755 -0.755 706 1HG ARG 154 2HG ARG 154 -6.753 1.425 1.425 707 2HG ARG 154 1HG ARG 154 -7.019 2.206 2.206 708 1HD ARG 154 1HD ARG 154 -5.289 0.339 0.339 709 2HD ARG 154 2HD ARG 154 -4.789 0.487 0.487 710 HE ARG 154 HE ARG 154 -4.861 3.050 3.050 711 1HH1 ARG 154 2HH2 ARG 154 -3.425 0.207 0.207 712 2HH1 ARG 154 1HH2 ARG 154 -2.138 1.079 1.079 713 1HH2 ARG 154 2HH1 ARG 154 -3.169 4.206 4.206 714 2HH2 ARG 154 1HH1 ARG 154 -1.992 3.353 3.353 715 H ASN 155 H ASN 155 -11.135 1.113 1.113 716 HA ASN 155 HA ASN 155 -11.251 3.768 3.768 717 1HB ASN 155 1HB ASN 155 -12.703 2.549 2.549 718 2HB ASN 155 2HB ASN 155 -13.113 4.073 4.073 719 1HD2 ASN 155 1HD2 ASN 155 -15.392 1.565 1.565 720 2HD2 ASN 155 2HD2 ASN 155 -15.070 2.321 2.321 721 H HIS 156 H HIS 156 -9.209 2.439 2.439 722 HA HIS 156 HA HIS 156 -9.072 4.046 4.046 723 1HB HIS 156 1HB HIS 156 -7.472 2.146 2.146 724 2HB HIS 156 2HB HIS 156 -6.515 3.510 3.510 725 HD1 HIS 156 HD1 HIS 156 -5.005 2.022 2.022 726 HD2 HIS 156 HD2 HIS 156 -7.887 4.770 4.770 727 HE1 HIS 156 HE1 HIS 156 -4.444 2.655 2.655 728 H GLU 157 H GLU 157 -7.154 4.802 4.802 729 HA GLU 157 HA GLU 157 -7.926 7.541 7.541 730 1HB GLU 157 2HB GLU 157 -5.408 6.595 6.595 731 2HB GLU 157 1HB GLU 157 -5.184 7.911 7.911 732 1HG GLU 157 2HG GLU 157 -7.211 8.095 8.095 733 2HG GLU 157 1HG GLU 157 -5.514 8.481 8.481 734 H ARG 158 H ARG 158 -8.242 5.705 5.705 735 HA ARG 158 HA ARG 158 -8.006 5.540 5.540 736 1HB ARG 158 1HB ARG 158 -6.505 8.140 8.140 737 2HB ARG 158 2HB ARG 158 -7.586 7.511 7.511 738 1HG ARG 158 2HG ARG 158 -8.318 8.629 8.629 739 2HG ARG 158 1HG ARG 158 -8.723 9.274 9.274 740 1HD ARG 158 2HD ARG 158 -10.558 8.028 8.028 741 2HD ARG 158 1HD ARG 158 -9.645 6.563 6.563 742 HE ARG 158 HE ARG 158 -9.905 7.731 7.731 743 1HH1 ARG 158 1HH1 ARG 158 -12.160 6.871 6.871 744 2HH1 ARG 158 2HH1 ARG 158 -13.471 6.587 6.587 745 1HH2 ARG 158 2HH2 ARG 158 -11.625 7.359 7.359 746 2HH2 ARG 158 1HH2 ARG 158 -13.167 6.864 6.864 747 H GLY 159 H GLY 159 -6.372 3.873 3.873 748 1HA GLY 159 1HA GLY 159 -3.731 4.464 4.464 749 2HA GLY 159 2HA GLY 159 -3.923 3.507 3.507 750 H PHE 160 H PHE 160 -2.693 2.865 2.865 751 HA PHE 160 HA PHE 160 -4.219 0.411 0.411 752 1HB PHE 160 2HB PHE 160 -2.681 1.672 1.672 753 2HB PHE 160 1HB PHE 160 -4.117 0.655 0.655 754 HD1 PHE 160 HD2 PHE 160 -6.189 1.850 1.850 755 HD2 PHE 160 HD1 PHE 160 -2.994 3.819 3.819 756 HE1 PHE 160 HE2 PHE 160 -7.594 3.851 3.851 757 HE2 PHE 160 HE1 PHE 160 -4.395 5.825 5.825 758 HZ PHE 160 HZ PHE 160 -6.698 5.842 5.842 759 H SER 161 H SER 161 -2.921 -1.414 -1.414 760 HA SER 161 HA SER 161 -0.033 -1.062 -1.062 761 1HB SER 161 1HB SER 161 -1.888 -2.521 -2.521 762 2HB SER 161 2HB SER 161 -0.474 -3.457 -3.457 763 HG SER 161 HG SER 161 -0.085 -2.243 -2.243 764 H TYR 162 H TYR 162 1.122 -2.056 -2.056 765 HA TYR 162 HA TYR 162 -0.181 -4.030 -4.030 766 1HB TYR 162 2HB TYR 162 2.508 -2.681 -2.681 767 2HB TYR 162 1HB TYR 162 1.667 -3.662 -3.662 768 HD1 TYR 162 HD1 TYR 162 -0.941 -1.954 -1.954 769 HD2 TYR 162 HD2 TYR 162 2.526 -1.196 -1.196 770 HE1 TYR 162 HE1 TYR 162 -2.006 0.065 0.065 771 HE2 TYR 162 HE2 TYR 162 1.465 0.825 0.825 772 HH TYR 162 HH2 TYR 162 -1.799 1.475 1.475 773 H ILE 163 H ILE 163 1.861 -5.554 -5.554 774 HA ILE 163 HA ILE 163 3.552 -6.529 -6.529 775 HB ILE 163 HB ILE 163 2.404 -8.899 -8.899 776 1HG1 ILE 163 1HG1 ILE 163 0.112 -6.962 -6.962 777 2HG1 ILE 163 2HG1 ILE 163 0.593 -8.265 -8.265 778 1HG2 ILE 163 1HG2 ILE 163 2.528 -6.870 -6.870 779 2HG2 ILE 163 3HG2 ILE 163 0.863 -7.453 -7.453 780 3HG2 ILE 163 2HG2 ILE 163 2.198 -8.582 -8.582 781 1HD1 ILE 163 2HD1 ILE 163 0.040 -9.247 -9.247 782 2HD1 ILE 163 1HD1 ILE 163 -1.335 -8.377 -8.377 783 3HD1 ILE 163 3HD1 ILE 163 -0.633 -9.742 -9.742 784 H CYS 164 H CYS 164 4.829 -8.389 -8.389 785 HA CYS 164 HA CYS 164 4.678 -9.288 -9.288 786 1HB CYS 164 1HB CYS 164 6.823 -8.446 -8.446 787 2HB CYS 164 2HB CYS 164 5.832 -7.087 -7.087 788 HG CYS 164 HG CYS 164 7.274 -7.119 -7.119 789 H ARG 165 H ARG 165 6.243 -10.973 -10.973 790 HA ARG 165 HA ARG 165 7.257 -12.243 -12.243 791 1HB ARG 165 1HB ARG 165 5.338 -13.386 -13.386 792 2HB ARG 165 2HB ARG 165 6.440 -13.671 -13.671 793 1HG ARG 165 1HG ARG 165 7.734 -14.563 -14.563 794 2HG ARG 165 2HG ARG 165 6.083 -15.186 -15.186 795 1HD ARG 165 1HD ARG 165 6.699 -15.681 -15.681 796 2HD ARG 165 2HD ARG 165 8.305 -15.798 -15.798 797 HE ARG 165 HE ARG 165 6.761 -17.326 -17.326 798 1HH1 ARG 165 1HH1 ARG 165 7.321 -17.254 -17.254 799 2HH1 ARG 165 2HH1 ARG 165 7.056 -18.954 -18.954 800 1HH2 ARG 165 1HH2 ARG 165 6.410 -19.565 -19.565 801 2HH2 ARG 165 2HH2 ARG 165 6.539 -20.267 -20.267 802 H ASP 166 H ASP 166 9.293 -11.206 -11.206 803 HA ASP 166 HA ASP 166 11.417 -10.883 -10.883 804 1HB ASP 166 1HB ASP 166 12.646 -12.907 -12.907 805 2HB ASP 166 2HB ASP 166 11.402 -13.260 -13.260 806 H GLY 167 H GLY 167 12.857 -12.043 -12.043 807 1HA GLY 167 1HA GLY 167 12.712 -12.308 -12.308 808 2HA GLY 167 2HA GLY 167 11.328 -11.224 -11.224 809 H THR 168 H THR 168 12.330 -9.201 -9.201 810 HA THR 168 HA THR 168 14.844 -8.293 -8.293 811 HB THR 168 HB THR 168 13.675 -6.085 -6.085 812 HG1 THR 168 1HG THR 168 11.547 -6.268 -6.268 813 1HG2 THR 168 1HG2 THR 168 14.587 -8.033 -8.033 814 2HG2 THR 168 3HG2 THR 168 12.872 -8.240 -8.240 815 3HG2 THR 168 2HG2 THR 168 13.659 -6.694 -6.694 816 H THR 169 H THR 169 13.543 -8.894 -8.894 817 HA THR 169 HA THR 169 14.284 -6.392 -6.392 818 HB THR 169 HB THR 169 12.136 -7.616 -7.616 819 HG1 THR 169 1HG THR 169 10.755 -8.075 -8.075 820 1HG2 THR 169 1HG2 THR 169 12.588 -4.977 -4.977 821 2HG2 THR 169 3HG2 THR 169 11.003 -5.393 -5.393 822 3HG2 THR 169 2HG2 THR 169 12.411 -5.369 -5.369 823 H ARG 170 H ARG 170 12.916 -9.493 -9.493 824 HA ARG 170 HA ARG 170 15.282 -10.658 -10.658 825 1HB ARG 170 2HB ARG 170 14.452 -10.224 -10.224 826 2HB ARG 170 1HB ARG 170 15.772 -9.371 -9.371 827 1HG ARG 170 2HG ARG 170 14.484 -7.473 -7.473 828 2HG ARG 170 1HG ARG 170 12.967 -8.344 -8.344 829 1HD ARG 170 2HD ARG 170 12.963 -7.905 -7.905 830 2HD ARG 170 1HD ARG 170 14.600 -8.536 -8.536 831 HE ARG 170 HE ARG 170 13.823 -5.791 -5.791 832 1HH1 ARG 170 2HH2 ARG 170 16.389 -8.032 -8.032 833 2HH1 ARG 170 1HH2 ARG 170 17.636 -6.833 -6.833 834 1HH2 ARG 170 2HH1 ARG 170 15.456 -4.204 -4.204 835 2HH2 ARG 170 1HH1 ARG 170 17.105 -4.656 -4.656 836 H ARG 171 H ARG 171 12.375 -10.294 -10.294 837 HA ARG 171 HA ARG 171 11.528 -12.999 -12.999 838 1HB ARG 171 1HB ARG 171 11.089 -13.593 -13.593 839 2HB ARG 171 2HB ARG 171 12.742 -13.002 -13.002 840 1HG ARG 171 2HG ARG 171 12.246 -11.043 -11.043 841 2HG ARG 171 1HG ARG 171 10.526 -11.143 -11.143 842 1HD ARG 171 2HD ARG 171 10.084 -12.391 -12.391 843 2HD ARG 171 1HD ARG 171 11.503 -13.407 -13.407 844 HE ARG 171 HE ARG 171 12.451 -10.989 -10.989 845 1HH1 ARG 171 1HH1 ARG 171 10.305 -13.482 -13.482 846 2HH1 ARG 171 2HH1 ARG 171 10.661 -13.203 -13.203 847 1HH2 ARG 171 1HH2 ARG 171 12.928 -10.613 -10.613 848 2HH2 ARG 171 2HH2 ARG 171 12.153 -11.571 -11.571 849 H TRP 172 H TRP 172 9.317 -12.863 -12.863 850 HA TRP 172 HA TRP 172 7.341 -11.660 -11.660 851 1HB TRP 172 1HB TRP 172 6.951 -12.077 -12.077 852 2HB TRP 172 2HB TRP 172 5.798 -12.301 -12.301 853 HD1 TRP 172 HD1 TRP 172 8.614 -14.090 -14.090 854 HE1 TRP 172 HE1 TRP 172 8.560 -16.583 -16.583 855 HE3 TRP 172 HE3 TRP 172 5.124 -13.913 -13.913 856 HZ2 TRP 172 2HZ TRP 172 7.217 -18.256 -18.256 857 HZ3 TRP 172 HZ3 TRP 172 4.511 -16.005 -16.005 858 HH2 TRP 172 HH2 TRP 172 5.536 -18.131 -18.131 859 H MET 173 H MET 173 8.217 -9.557 -9.557 860 HA MET 173 HA MET 173 8.452 -7.749 -7.749 861 1HB MET 173 1HB MET 173 9.058 -7.555 -7.555 862 2HB MET 173 2HB MET 173 9.016 -6.111 -6.111 863 1HG MET 173 1HG MET 173 10.593 -8.161 -8.161 864 2HG MET 173 2HG MET 173 11.155 -7.855 -7.855 865 1HE MET 173 2HE MET 173 11.086 -6.974 -6.974 866 2HE MET 173 1HE MET 173 11.660 -5.313 -5.313 867 3HE MET 173 3HE MET 173 9.978 -5.627 -5.627 868 H CYS 174 H CYS 174 6.718 -6.808 -6.808 869 HA CYS 174 HA CYS 174 4.362 -6.344 -6.344 870 1HB CYS 174 2HB CYS 174 5.051 -6.294 -6.294 871 2HB CYS 174 1HB CYS 174 3.879 -5.078 -5.078 872 HG CYS 174 HG CYS 174 2.162 -6.824 -6.824 873 H HIS 175 H HIS 175 3.318 -4.075 -4.075 874 HA HIS 175 HA HIS 175 5.300 -1.943 -1.943 875 1HB HIS 175 2HB HIS 175 3.491 -2.451 -2.451 876 2HB HIS 175 1HB HIS 175 4.556 -1.066 -1.066 877 HD1 HIS 175 HD1 HIS 175 7.037 -1.401 -1.401 878 HD2 HIS 175 HD2 HIS 175 4.799 -4.898 -4.898 879 HE1 HIS 175 HE1 HIS 175 8.520 -3.149 -3.149 880 H GLY 176 H GLY 176 4.535 -0.388 -0.388 881 1HA GLY 176 1HA GLY 176 1.648 -0.141 -0.141 882 2HA GLY 176 2HA GLY 176 2.899 0.629 0.629 883 H PHE 177 H PHE 177 0.468 1.321 1.321 884 HA PHE 177 HA PHE 177 1.846 3.680 3.680 885 1HB PHE 177 2HB PHE 177 0.023 1.730 1.730 886 2HB PHE 177 1HB PHE 177 -0.292 3.420 3.420 887 HD1 PHE 177 HD1 PHE 177 1.470 4.792 4.792 888 HD2 PHE 177 HD2 PHE 177 1.889 0.592 0.592 889 HE1 PHE 177 HE1 PHE 177 3.271 4.755 4.755 890 HE2 PHE 177 HE2 PHE 177 3.691 0.550 0.550 891 HZ PHE 177 HZ PHE 177 4.384 2.633 2.633 892 H LEU 178 H LEU 178 0.949 5.631 5.631 893 HA LEU 178 HA LEU 178 -1.707 5.735 5.735 894 1HB LEU 178 2HB LEU 178 0.620 6.271 6.271 895 2HB LEU 178 1HB LEU 178 0.193 7.865 7.865 896 HG LEU 178 HG LEU 178 -1.321 6.114 6.114 897 1HD1 LEU 178 1HD1 LEU 178 0.243 8.566 8.566 898 2HD1 LEU 178 3HD1 LEU 178 -1.341 8.720 8.720 899 3HD1 LEU 178 2HD1 LEU 178 -0.227 7.460 7.460 900 1HD2 LEU 178 1HD2 LEU 178 -2.373 8.328 8.328 901 2HD2 LEU 178 3HD2 LEU 178 -3.085 6.753 6.753 902 3HD2 LEU 178 2HD2 LEU 178 -3.063 8.002 8.002 903 H ALA 179 H ALA 179 -2.999 6.627 6.627 904 HA ALA 179 HA ALA 179 -2.277 8.121 8.121 905 1HB ALA 179 1HB ALA 179 -4.580 7.125 7.125 906 2HB ALA 179 3HB ALA 179 -4.861 8.759 8.759 907 3HB ALA 179 2HB ALA 179 -4.502 8.497 8.497 908 H CYS 180 H CYS 180 -1.789 10.186 10.186 909 HA CYS 180 HA CYS 180 -0.957 11.907 11.907 910 1HB CYS 180 2HB CYS 180 -0.949 11.874 11.874 911 2HB CYS 180 1HB CYS 180 -1.374 13.476 13.476 912 HG CYS 180 HG CYS 180 1.054 13.760 13.760 913 H LYS 181 H LYS 181 -3.626 12.339 12.339 914 HA LYS 181 HA LYS 181 -4.792 14.549 14.549 915 1HB LYS 181 1HB LYS 181 -6.303 12.421 12.421 916 2HB LYS 181 2HB LYS 181 -6.722 14.120 14.120 917 1HG LYS 181 1HG LYS 181 -4.092 13.735 13.735 918 2HG LYS 181 2HG LYS 181 -5.376 12.973 12.973 919 1HD LYS 181 2HD LYS 181 -5.065 15.231 15.231 920 2HD LYS 181 1HD LYS 181 -6.618 15.121 15.121 921 1HE LYS 181 2HE LYS 181 -5.595 16.065 16.065 922 2HE LYS 181 1HE LYS 181 -4.054 16.192 16.192 923 1HZ LYS 181 3HZ LYS 181 -6.158 17.440 17.440 924 2HZ LYS 181 2HZ LYS 181 -6.024 18.092 18.092 925 3HZ LYS 181 1HZ LYS 181 -4.684 18.086 18.086 926 H ASP 182 H ASP 182 -5.112 11.119 11.119 927 HA ASP 182 HA ASP 182 -5.992 9.963 9.963 928 1HB ASP 182 1HB ASP 182 -5.083 12.291 12.291 929 2HB ASP 182 2HB ASP 182 -6.775 12.287 12.287 930 H SER 183 H SER 183 -7.748 9.461 9.461 931 HA SER 183 HA SER 183 -10.269 9.837 9.837 932 1HB SER 183 2HB SER 183 -9.514 12.031 12.031 933 2HB SER 183 1HB SER 183 -10.626 11.115 11.115 934 HG SER 183 HG SER 183 -11.513 12.742 12.742 935 H GLY 184 H GLY 184 -8.583 7.759 7.759 936 1HA GLY 184 2HA GLY 184 -8.645 6.041 6.041 937 2HA GLY 184 1HA GLY 184 -10.274 5.933 5.933 938 H GLU 185 H GLU 185 -8.999 8.520 8.520 939 HA GLU 185 HA GLU 185 -10.469 7.471 7.471 940 1HB GLU 185 1HB GLU 185 -11.427 9.627 9.627 941 2HB GLU 185 2HB GLU 185 -11.229 10.157 10.157 942 1HG GLU 185 2HG GLU 185 -12.634 8.301 8.301 943 2HG GLU 185 1HG GLU 185 -12.850 7.796 7.796 944 H ARG 186 H ARG 186 -7.784 7.570 7.570 945 HA ARG 186 HA ARG 186 -7.184 9.427 9.427 946 1HB ARG 186 2HB ARG 186 -6.585 10.215 10.215 947 2HB ARG 186 1HB ARG 186 -5.056 9.642 9.642 948 1HG ARG 186 1HG ARG 186 -4.999 11.857 11.857 949 2HG ARG 186 2HG ARG 186 -5.687 11.133 11.133 950 1HD ARG 186 2HD ARG 186 -7.849 11.681 11.681 951 2HD ARG 186 1HD ARG 186 -6.812 13.105 13.105 952 HE ARG 186 HE ARG 186 -7.235 12.212 12.212 953 1HH1 ARG 186 1HH1 ARG 186 -8.716 13.948 13.948 954 2HH1 ARG 186 2HH1 ARG 186 -9.731 14.903 14.903 955 1HH2 ARG 186 1HH2 ARG 186 -8.566 13.465 13.465 956 2HH2 ARG 186 2HH2 ARG 186 -9.645 14.628 14.628 957 H LEU 187 H LEU 187 -5.947 7.000 7.000 958 HA LEU 187 HA LEU 187 -4.210 5.985 5.985 959 1HB LEU 187 2HB LEU 187 -3.959 5.950 5.950 960 2HB LEU 187 1HB LEU 187 -3.150 4.726 4.726 961 HG LEU 187 HG LEU 187 -1.767 6.333 6.333 962 1HD1 LEU 187 1HD1 LEU 187 -3.607 8.386 8.386 963 2HD1 LEU 187 3HD1 LEU 187 -2.041 8.778 8.778 964 3HD1 LEU 187 2HD1 LEU 187 -3.310 8.068 8.068 965 1HD2 LEU 187 3HD2 LEU 187 -1.662 5.874 5.874 966 2HD2 LEU 187 2HD2 LEU 187 -0.434 6.740 6.740 967 3HD2 LEU 187 1HD2 LEU 187 -1.680 7.637 7.637 968 H SER 188 H SER 188 -6.407 5.013 5.013 969 HA SER 188 HA SER 188 -6.437 2.275 2.275 970 1HB SER 188 1HB SER 188 -8.555 2.241 2.241 971 2HB SER 188 2HB SER 188 -7.566 3.504 3.504 972 HG SER 188 HG SER 188 -8.857 5.006 5.006 973 H HIS 189 H HIS 189 -8.808 4.612 4.612 974 HA HIS 189 HA HIS 189 -9.931 2.725 2.725 975 1HB HIS 189 2HB HIS 189 -10.224 5.669 5.669 976 2HB HIS 189 1HB HIS 189 -10.868 4.963 4.963 977 HD1 HIS 189 HD1 HIS 189 -12.697 2.980 2.980 978 HD2 HIS 189 HD2 HIS 189 -11.815 5.433 5.433 979 HE1 HIS 189 HE1 HIS 189 -14.573 2.661 2.661 980 H ALA 190 H ALA 190 -7.321 5.012 5.012 981 HA ALA 190 HA ALA 190 -7.118 5.114 5.114 982 1HB ALA 190 1HB ALA 190 -5.095 5.762 5.762 983 2HB ALA 190 3HB ALA 190 -4.901 6.115 6.115 984 3HB ALA 190 2HB ALA 190 -6.190 6.894 6.894 985 H VAL 191 H VAL 191 -4.812 3.723 3.723 986 HA VAL 191 HA VAL 191 -3.501 2.100 2.100 987 HB VAL 191 HB VAL 191 -3.662 1.335 1.335 988 1HG1 VAL 191 1HG2 VAL 191 -2.106 0.559 0.559 989 2HG1 VAL 191 3HG2 VAL 191 -1.038 1.358 1.358 990 3HG1 VAL 191 2HG2 VAL 191 -2.009 -0.025 -0.025 991 1HG2 VAL 191 2HG1 VAL 191 -2.862 3.905 3.905 992 2HG2 VAL 191 1HG1 VAL 191 -2.954 3.338 3.338 993 3HG2 VAL 191 3HG1 VAL 191 -1.486 3.074 3.074 994 H GLY 192 H GLY 192 -6.192 1.449 1.449 995 1HA GLY 192 1HA GLY 192 -6.476 -1.284 -1.284 996 2HA GLY 192 2HA GLY 192 -7.822 -0.174 -0.174 997 H CYS 193 H CYS 193 -7.531 1.294 1.294 998 HA CYS 193 HA CYS 193 -8.796 -0.501 -0.501 999 1HB CYS 193 1HB CYS 193 -8.248 2.424 2.424 1000 2HB CYS 193 2HB CYS 193 -8.495 1.723 1.723 1001 HG CYS 193 HG CYS 193 -10.905 1.367 1.367 1002 H ALA 194 H ALA 194 -5.638 0.837 0.837 1003 HA ALA 194 HA ALA 194 -4.513 0.474 0.474 1004 1HB ALA 194 1HB ALA 194 -3.507 1.734 1.734 1005 2HB ALA 194 3HB ALA 194 -3.055 0.179 0.179 1006 3HB ALA 194 2HB ALA 194 -2.394 0.673 0.673 1007 H PHE 195 H PHE 195 -4.834 -1.704 -1.704 1008 HA PHE 195 HA PHE 195 -3.365 -3.866 -3.866 1009 1HB PHE 195 1HB PHE 195 -5.596 -3.621 -3.621 1010 2HB PHE 195 2HB PHE 195 -5.006 -5.209 -5.209 1011 HD1 PHE 195 HD1 PHE 195 -2.789 -5.955 -5.955 1012 HD2 PHE 195 HD2 PHE 195 -4.233 -2.130 -2.130 1013 HE1 PHE 195 HE1 PHE 195 -0.966 -5.777 -5.777 1014 HE2 PHE 195 HE2 PHE 195 -2.412 -1.945 -1.945 1015 HZ PHE 195 HZ PHE 195 -0.775 -3.771 -3.771 1016 H ALA 196 H ALA 196 -6.682 -2.833 -2.833 1017 HA ALA 196 HA ALA 196 -7.805 -5.074 -5.074 1018 1HB ALA 196 1HB ALA 196 -8.752 -2.663 -2.663 1019 2HB ALA 196 3HB ALA 196 -8.391 -2.429 -2.429 1020 3HB ALA 196 2HB ALA 196 -9.493 -3.711 -3.711 1021 H VAL 197 H VAL 197 -5.408 -2.919 -2.919 1022 HA VAL 197 HA VAL 197 -5.710 -3.646 -3.646 1023 HB VAL 197 HB VAL 197 -3.266 -2.511 -2.511 1024 1HG1 VAL 197 1HG2 VAL 197 -4.121 -2.545 -2.545 1025 2HG1 VAL 197 3HG2 VAL 197 -2.728 -1.671 -1.671 1026 3HG1 VAL 197 2HG2 VAL 197 -2.773 -3.433 -3.433 1027 1HG2 VAL 197 2HG1 VAL 197 -5.846 -1.343 -1.343 1028 2HG2 VAL 197 1HG1 VAL 197 -4.471 -0.670 -0.670 1029 3HG2 VAL 197 3HG1 VAL 197 -4.569 -0.501 -0.501 1030 H CYS 198 H CYS 198 -3.907 -4.920 -4.920 1031 HA CYS 198 HA CYS 198 -1.987 -6.473 -6.473 1032 1HB CYS 198 2HB CYS 198 -2.176 -6.334 -6.334 1033 2HB CYS 198 1HB CYS 198 -3.740 -7.143 -7.143 1034 HG CYS 198 HG CYS 198 -1.915 -9.105 -9.105 1035 H LEU 199 H LEU 199 -5.350 -7.452 -7.452 1036 HA LEU 199 HA LEU 199 -5.010 -9.697 -9.697 1037 1HB LEU 199 2HB LEU 199 -7.429 -10.167 -10.167 1038 2HB LEU 199 1HB LEU 199 -5.979 -10.654 -10.654 1039 HG LEU 199 HG LEU 199 -7.254 -8.006 -8.006 1040 1HD1 LEU 199 2HD2 LEU 199 -8.876 -10.045 -10.045 1041 2HD1 LEU 199 1HD2 LEU 199 -7.979 -10.444 -10.444 1042 3HD1 LEU 199 3HD2 LEU 199 -8.819 -8.896 -8.896 1043 1HD2 LEU 199 2HD1 LEU 199 -4.949 -8.867 -8.867 1044 2HD2 LEU 199 1HD1 LEU 199 -6.060 -8.091 -8.091 1045 3HD2 LEU 199 3HD1 LEU 199 -5.923 -9.850 -9.850 1046 H GLU 200 H GLU 200 -6.820 -6.758 -6.758 1047 HA GLU 200 HA GLU 200 -8.360 -5.626 -5.626 1048 1HB GLU 200 2HB GLU 200 -6.025 -5.734 -5.734 1049 2HB GLU 200 1HB GLU 200 -7.038 -6.541 -6.541 1050 1HG GLU 200 2HG GLU 200 -8.443 -4.649 -4.649 1051 2HG GLU 200 1HG GLU 200 -7.725 -3.869 -3.869 1052 H ARG 201 H ARG 201 -9.176 -8.309 -8.309 1053 HA ARG 201 HA ARG 201 -11.431 -8.518 -8.518 1054 1HB ARG 201 1HB ARG 201 -9.310 -9.372 -9.372 1055 2HB ARG 201 2HB ARG 201 -9.780 -10.878 -10.878 1056 1HG ARG 201 2HG ARG 201 -11.552 -9.124 -9.124 1057 2HG ARG 201 1HG ARG 201 -10.833 -10.662 -10.662 1058 1HD ARG 201 1HD ARG 201 -12.093 -11.811 -11.811 1059 2HD ARG 201 2HD ARG 201 -12.791 -10.276 -10.276 1060 HE ARG 201 HE ARG 201 -13.429 -10.489 -10.489 1061 1HH1 ARG 201 1HH2 ARG 201 -13.953 -12.415 -12.415 1062 2HH1 ARG 201 2HH2 ARG 201 -15.449 -13.079 -13.079 1063 1HH2 ARG 201 2HH1 ARG 201 -15.400 -11.359 -11.359 1064 2HH2 ARG 201 1HH1 ARG 201 -16.272 -12.479 -12.479 1065 H LYS 202 H LYS 202 -10.670 -8.708 -8.708 1066 HA LYS 202 HA LYS 202 -10.904 -10.000 -10.000 1067 1HB LYS 202 1HB LYS 202 -13.273 -10.037 -10.037 1068 2HB LYS 202 2HB LYS 202 -13.101 -11.623 -11.623 1069 1HG LYS 202 1HG LYS 202 -14.416 -10.274 -10.274 1070 2HG LYS 202 2HG LYS 202 -12.835 -10.489 -10.489 1071 1HD LYS 202 1HD LYS 202 -12.236 -8.302 -8.302 1072 2HD LYS 202 2HD LYS 202 -13.252 -8.111 -8.111 1073 1HE LYS 202 2HE LYS 202 -14.211 -6.816 -6.816 1074 2HE LYS 202 1HE LYS 202 -15.248 -8.216 -8.216 1075 1HZ LYS 202 2HZ LYS 202 -13.192 -8.620 -8.620 1076 2HZ LYS 202 1HZ LYS 202 -14.336 -7.444 -7.444 1077 3HZ LYS 202 3HZ LYS 202 -14.836 -9.017 -9.017 1078 H GLN 203 H GLN 203 -9.112 -11.114 -11.114 1079 HA GLN 203 HA GLN 203 -9.458 -13.874 -13.874 1080 1HB GLN 203 1HB GLN 203 -7.020 -12.113 -12.113 1081 2HB GLN 203 2HB GLN 203 -6.882 -13.852 -13.852 1082 1HG GLN 203 1HG GLN 203 -8.804 -12.619 -12.619 1083 2HG GLN 203 2HG GLN 203 -7.171 -11.980 -11.980 1084 1HE2 GLN 203 1HE2 GLN 203 -6.265 -14.621 -14.621 1085 2HE2 GLN 203 2HE2 GLN 203 -6.226 -12.933 -12.933 1086 H ARG 204 H ARG 204 -8.828 -12.074 -12.074 1087 HA ARG 204 HA ARG 204 -7.252 -13.456 -13.456 1088 1HB ARG 204 1HB ARG 204 -9.286 -11.618 -11.618 1089 2HB ARG 204 2HB ARG 204 -9.817 -12.982 -12.982 1090 1HG ARG 204 1HG ARG 204 -8.504 -11.317 -11.317 1091 2HG ARG 204 2HG ARG 204 -7.792 -12.931 -12.931 1092 1HD ARG 204 1HD ARG 204 -6.919 -11.137 -11.137 1093 2HD ARG 204 2HD ARG 204 -6.402 -10.702 -10.702 1094 HE ARG 204 HE ARG 204 -5.922 -13.448 -13.448 1095 1HH1 ARG 204 2HH2 ARG 204 -4.713 -10.252 -10.252 1096 2HH1 ARG 204 1HH2 ARG 204 -3.080 -10.776 -10.776 1097 1HH2 ARG 204 2HH1 ARG 204 -3.775 -14.152 -14.152 1098 2HH2 ARG 204 1HH1 ARG 204 -2.545 -12.995 -12.995 1099 H ARG 205 H ARG 205 -7.430 -15.207 -15.207 1100 HA ARG 205 HA ARG 205 -8.721 -17.509 -17.509 1101 1HB ARG 205 2HB ARG 205 -7.001 -16.887 -16.887 1102 2HB ARG 205 1HB ARG 205 -8.044 -18.292 -18.292 1103 1HG ARG 205 1HG ARG 205 -6.635 -18.210 -18.210 1104 2HG ARG 205 2HG ARG 205 -5.560 -18.264 -18.264 1105 1HD ARG 205 2HD ARG 205 -7.423 -20.119 -20.119 1106 2HD ARG 205 1HD ARG 205 -7.379 -20.307 -20.307 1107 HE ARG 205 HE ARG 205 -5.392 -21.374 -21.374 1108 1HH1 ARG 205 1HH1 ARG 205 -5.821 -19.194 -19.194 1109 2HH1 ARG 205 2HH1 ARG 205 -4.346 -19.658 -19.658 1110 1HH2 ARG 205 2HH2 ARG 205 -3.447 -21.994 -21.994 1111 2HH2 ARG 205 1HH2 ARG 205 -2.996 -21.251 -21.251 1112 H THR 206 H THR 206 -10.849 -16.205 -16.205 1113 HA THR 206 HA THR 206 -12.211 -16.361 -16.361 1114 HB THR 206 HB THR 206 -13.795 -14.867 -14.867 1115 HG1 THR 206 1HG THR 206 -14.414 -14.845 -14.845 1116 1HG2 THR 206 1HG2 THR 206 -11.204 -14.121 -14.121 1117 2HG2 THR 206 3HG2 THR 206 -11.745 -13.808 -13.808 1118 3HG2 THR 206 2HG2 THR 206 -12.573 -13.048 -13.048 1119 H ARG 207 H ARG 207 -12.665 -17.442 -17.442 1120 HA ARG 207 HA ARG 207 -13.998 -19.829 -19.829 1121 1HB ARG 207 1HB ARG 207 -15.863 -19.518 -19.518 1122 2HB ARG 207 2HB ARG 207 -15.911 -18.448 -18.448 1123 1HG ARG 207 2HG ARG 207 -14.719 -16.745 -16.745 1124 2HG ARG 207 1HG ARG 207 -15.157 -17.801 -17.801 1125 1HD ARG 207 2HD ARG 207 -17.221 -16.880 -16.880 1126 2HD ARG 207 1HD ARG 207 -16.733 -15.850 -15.850 1127 HE ARG 207 HE ARG 207 -17.348 -18.364 -18.364 1128 1HH1 ARG 207 1HH1 ARG 207 -18.953 -15.717 -15.717 1129 2HH1 ARG 207 2HH1 ARG 207 -20.483 -16.021 -16.021 1130 1HH2 ARG 207 1HH2 ARG 207 -19.357 -18.773 -18.773 1131 2HH2 ARG 207 2HH2 ARG 207 -20.713 -17.759 -17.759 1132 H ALA 208 H ALA 208 -13.075 -21.485 -21.485 1133 HA ALA 208 HA ALA 208 -11.976 -22.761 -22.761 1134 1HB ALA 208 1HB ALA 208 -14.142 -21.453 -21.453 1135 2HB ALA 208 3HB ALA 208 -12.794 -21.705 -21.705 1136 3HB ALA 208 2HB ALA 208 -13.488 -23.074 -23.074 1137 H ALA 209 H ALA 209 -10.438 -22.717 -22.717 1138 HA ALA 209 HA ALA 209 -9.111 -20.152 -20.152 1139 1HB ALA 209 1HB ALA 209 -8.021 -21.085 -21.085 1140 2HB ALA 209 3HB ALA 209 -7.647 -22.556 -22.556 1141 3HB ALA 209 2HB ALA 209 -6.917 -21.023 -21.023 1142 H ALA 210 H ALA 210 -9.461 -20.139 -20.139 1143 HA ALA 210 HA ALA 210 -8.018 -22.140 -22.140 1144 1HB ALA 210 2HB ALA 210 -10.946 -21.750 -21.750 1145 2HB ALA 210 1HB ALA 210 -10.165 -21.926 -21.926 1146 3HB ALA 210 3HB ALA 210 -9.987 -23.189 -23.189 1147 1H ALA 1 2HT ALA 1 -13.599 -8.673 -8.673 1148 2H ALA 1 1HT ALA 1 -11.921 -8.829 -8.829 1149 3H ALA 1 3HT ALA 1 -13.022 -8.553 -8.553 1150 HA ALA 1 HA ALA 1 -13.509 -6.414 -6.414 1151 1HB ALA 1 3HB ALA 1 -10.580 -7.066 -7.066 1152 2HB ALA 1 2HB ALA 1 -11.187 -5.412 -5.412 1153 3HB ALA 1 1HB ALA 1 -11.625 -6.444 -6.444 1154 H TYR 2 H TYR 2 -10.572 -6.962 -6.962 1155 HA TYR 2 HA TYR 2 -11.667 -6.988 -6.988 1156 1HB TYR 2 1HB TYR 2 -10.940 -4.541 -4.541 1157 2HB TYR 2 2HB TYR 2 -12.531 -4.841 -4.841 1158 HD1 TYR 2 HD2 TYR 2 -9.606 -5.085 -5.085 1159 HD2 TYR 2 HD1 TYR 2 -12.649 -2.492 -2.492 1160 HE1 TYR 2 HE2 TYR 2 -9.115 -3.491 -3.491 1161 HE2 TYR 2 HE1 TYR 2 -12.164 -0.896 -0.896 1162 HH TYR 2 HH2 TYR 2 -9.430 -0.895 -0.895 1163 H ILE 3 H ILE 3 -9.850 -8.520 -8.520 1164 HA ILE 3 HA ILE 3 -7.689 -9.201 -9.201 1165 HB ILE 3 HB ILE 3 -7.585 -6.785 -6.785 1166 1HG1 ILE 3 1HG1 ILE 3 -8.075 -8.795 -8.795 1167 2HG1 ILE 3 2HG1 ILE 3 -8.869 -9.466 -9.466 1168 1HG2 ILE 3 3HG2 ILE 3 -5.705 -8.841 -8.841 1169 2HG2 ILE 3 2HG2 ILE 3 -6.134 -8.941 -8.941 1170 3HG2 ILE 3 1HG2 ILE 3 -5.501 -7.434 -7.434 1171 1HD1 ILE 3 3HD1 ILE 3 -9.564 -6.684 -6.684 1172 2HD1 ILE 3 2HD1 ILE 3 -10.023 -7.802 -7.802 1173 3HD1 ILE 3 1HD1 ILE 3 -10.596 -8.068 -8.068 1174 H GLY 4 H GLY 4 -7.921 -7.735 -7.735 1175 1HA GLY 4 2HA GLY 4 -5.778 -7.222 -7.222 1176 2HA GLY 4 1HA GLY 4 -5.552 -5.980 -5.980 1177 HA PRO 5 HA PRO 5 -6.440 -7.409 -7.409 1178 1HB PRO 5 2HB PRO 5 -9.412 -7.814 -7.814 1179 2HB PRO 5 1HB PRO 5 -8.172 -8.093 -8.093 1180 1HG PRO 5 1HG PRO 5 -9.582 -5.879 -5.879 1181 2HG PRO 5 2HG PRO 5 -7.825 -5.805 -5.805 1182 1HD PRO 5 2HD PRO 5 -9.457 -5.017 -5.017 1183 2HD PRO 5 1HD PRO 5 -7.974 -4.289 -4.289 1184 1HN PTR 6 H PTR 6 -5.962 -9.421 -9.421 1185 HA PTR 6 HA PTR 6 -5.980 -10.513 -10.513 1186 1HB PTR 6 1HB PTR 6 -6.759 -12.456 -12.456 1187 2HB PTR 6 2HB PTR 6 -5.315 -11.487 -11.487 1188 HD1 PTR 6 HD1 PTR 6 -3.656 -13.243 -13.243 1189 HD2 PTR 6 HD2 PTR 6 -6.242 -12.451 -12.451 1190 HE1 PTR 6 HE1 PTR 6 -3.051 -15.426 -15.426 1191 HE2 PTR 6 HE2 PTR 6 -5.489 -14.511 -14.511 1192 H LEU 7 H LEU 7 -7.563 -10.411 -10.411 1193 HA LEU 7 HA LEU 7 -9.432 -11.006 -11.006 1194 1HB LEU 7 1HB LEU 7 -8.930 -13.164 -13.164 1195 2HB LEU 7 2HB LEU 7 -10.583 -12.763 -12.763 1196 HG LEU 7 HG LEU 7 -9.510 -13.465 -13.465 1197 1HD1 LEU 7 2HD2 LEU 7 -10.806 -14.930 -14.930 1198 2HD1 LEU 7 1HD2 LEU 7 -11.728 -15.012 -15.012 1199 3HD1 LEU 7 3HD2 LEU 7 -10.041 -15.525 -15.525 1200 1HD2 LEU 7 2HD1 LEU 7 -11.695 -11.771 -11.771 1201 2HD2 LEU 7 1HD1 LEU 7 -11.152 -12.301 -12.301 1202 3HD2 LEU 7 3HD1 LEU 7 -12.324 -13.266 -13.266 Start of MODEL 9 1 HA SER 64 HA SER 64 -12.018 15.246 15.246 2 1HB SER 64 2HB SER 64 -9.711 16.953 16.953 3 2HB SER 64 1HB SER 64 -11.173 17.935 17.935 4 HG SER 64 HG SER 64 -10.725 17.709 17.709 5 H LYS 65 H LYS 65 -13.989 15.482 15.482 6 HA LYS 65 HA LYS 65 -15.739 16.123 16.123 7 1HB LYS 65 1HB LYS 65 -14.059 18.453 18.453 8 2HB LYS 65 2HB LYS 65 -14.896 18.517 18.517 9 1HG LYS 65 2HG LYS 65 -16.981 17.891 17.891 10 2HG LYS 65 1HG LYS 65 -16.001 18.559 18.559 11 1HD LYS 65 2HD LYS 65 -15.709 20.428 20.428 12 2HD LYS 65 1HD LYS 65 -17.386 19.912 19.912 13 1HE LYS 65 2HE LYS 65 -16.524 20.406 20.406 14 2HE LYS 65 1HE LYS 65 -16.577 21.827 21.827 15 1HZ LYS 65 1HZ LYS 65 -18.834 19.932 19.932 16 2HZ LYS 65 3HZ LYS 65 -18.678 21.390 21.390 17 3HZ LYS 65 2HZ LYS 65 -18.863 21.401 21.401 18 HA PRO 66 HA PRO 66 -15.182 14.993 14.993 19 1HB PRO 66 1HB PRO 66 -16.728 16.734 16.734 20 2HB PRO 66 2HB PRO 66 -17.383 15.402 15.402 21 1HG PRO 66 2HG PRO 66 -17.147 18.302 18.302 22 2HG PRO 66 1HG PRO 66 -18.497 17.188 17.188 23 1HD PRO 66 2HD PRO 66 -16.758 17.862 17.862 24 2HD PRO 66 1HD PRO 66 -17.492 16.248 16.248 25 H HIS 67 H HIS 67 -12.947 16.165 16.165 26 HA HIS 67 HA HIS 67 -12.254 17.682 17.682 27 1HB HIS 67 2HB HIS 67 -12.822 19.350 19.350 28 2HB HIS 67 1HB HIS 67 -11.469 18.706 18.706 29 HD1 HIS 67 HD1 HIS 67 -11.094 19.132 19.132 30 HD2 HIS 67 HD2 HIS 67 -10.112 21.130 21.130 31 HE1 HIS 67 HE1 HIS 67 -9.443 20.935 20.935 32 H GLN 68 H GLN 68 -10.933 16.614 16.614 33 HA GLN 68 HA GLN 68 -8.457 15.794 15.794 34 1HB GLN 68 2HB GLN 68 -9.088 16.718 16.718 35 2HB GLN 68 1HB GLN 68 -8.761 15.006 15.006 36 1HG GLN 68 2HG GLN 68 -6.657 15.782 15.782 37 2HG GLN 68 1HG GLN 68 -6.662 15.596 15.596 38 1HE2 GLN 68 2HE2 GLN 68 -6.600 19.035 19.035 39 2HE2 GLN 68 1HE2 GLN 68 -7.010 17.469 17.469 40 H TRP 69 H TRP 69 -11.145 14.327 14.327 41 HA TRP 69 HA TRP 69 -10.308 11.652 11.652 42 1HB TRP 69 2HB TRP 69 -12.848 13.067 13.067 43 2HB TRP 69 1HB TRP 69 -13.019 11.433 11.433 44 HD1 TRP 69 HD1 TRP 69 -10.020 11.989 11.989 45 HE1 TRP 69 HE1 TRP 69 -10.404 10.809 10.809 46 HE3 TRP 69 HE3 TRP 69 -14.968 10.814 10.814 47 HZ2 TRP 69 2HZ TRP 69 -12.525 9.548 9.548 48 HZ3 TRP 69 HZ3 TRP 69 -16.100 9.621 9.621 49 HH2 TRP 69 HH2 TRP 69 -14.902 9.002 9.002 50 H GLN 70 H GLN 70 -12.049 13.746 13.746 51 HA GLN 70 HA GLN 70 -12.897 11.812 11.812 52 1HB GLN 70 1HB GLN 70 -14.015 13.655 13.655 53 2HB GLN 70 2HB GLN 70 -12.888 14.688 14.688 54 1HG GLN 70 1HG GLN 70 -11.543 14.994 14.994 55 2HG GLN 70 2HG GLN 70 -12.306 13.656 13.656 56 1HE2 GLN 70 2HE2 GLN 70 -13.580 17.247 17.247 57 2HE2 GLN 70 1HE2 GLN 70 -12.006 16.767 16.767 58 H ALA 71 H ALA 71 -9.757 12.929 12.929 59 HA ALA 71 HA ALA 71 -8.811 11.989 11.989 60 1HB ALA 71 1HB ALA 71 -8.448 14.451 14.451 61 2HB ALA 71 3HB ALA 71 -7.010 13.646 13.646 62 3HB ALA 71 2HB ALA 71 -7.316 13.673 13.673 63 H ASP 72 H ASP 72 -8.474 11.659 11.659 64 HA ASP 72 HA ASP 72 -6.113 9.991 9.991 65 1HB ASP 72 1HB ASP 72 -6.126 9.933 9.933 66 2HB ASP 72 2HB ASP 72 -6.285 11.590 11.590 67 H GLU 73 H GLU 73 -9.542 9.631 9.631 68 HA GLU 73 HA GLU 73 -9.638 7.051 7.051 69 1HB GLU 73 2HB GLU 73 -11.504 8.720 8.720 70 2HB GLU 73 1HB GLU 73 -11.872 7.014 7.014 71 1HG GLU 73 2HG GLU 73 -11.688 7.370 7.370 72 2HG GLU 73 1HG GLU 73 -11.578 9.098 9.098 73 H GLU 74 H GLU 74 -8.921 8.154 8.154 74 HA GLU 74 HA GLU 74 -9.044 5.412 5.412 75 1HB GLU 74 1HB GLU 74 -8.567 6.620 6.620 76 2HB GLU 74 2HB GLU 74 -10.173 6.738 6.738 77 1HG GLU 74 2HG GLU 74 -9.983 8.934 8.934 78 2HG GLU 74 1HG GLU 74 -8.280 8.806 8.806 79 H ALA 75 H ALA 75 -6.848 7.928 7.928 80 HA ALA 75 HA ALA 75 -4.579 7.420 7.420 81 1HB ALA 75 3HB ALA 75 -5.127 8.437 8.437 82 2HB ALA 75 2HB ALA 75 -3.498 7.804 7.804 83 3HB ALA 75 1HB ALA 75 -4.107 9.096 9.096 84 H VAL 76 H VAL 76 -5.881 5.537 5.537 85 HA VAL 76 HA VAL 76 -3.685 3.798 3.798 86 HB VAL 76 HB VAL 76 -6.614 3.516 3.516 87 1HG1 VAL 76 1HG1 VAL 76 -4.442 1.490 1.490 88 2HG1 VAL 76 3HG1 VAL 76 -5.662 1.591 1.591 89 3HG1 VAL 76 2HG1 VAL 76 -6.148 1.277 1.277 90 1HG2 VAL 76 1HG2 VAL 76 -4.715 4.999 4.999 91 2HG2 VAL 76 3HG2 VAL 76 -6.095 4.297 4.297 92 3HG2 VAL 76 2HG2 VAL 76 -4.532 3.480 3.480 93 H ARG 77 H ARG 77 -6.700 3.451 3.451 94 HA ARG 77 HA ARG 77 -6.315 0.945 0.945 95 1HB ARG 77 2HB ARG 77 -7.358 3.270 3.270 96 2HB ARG 77 1HB ARG 77 -7.806 1.577 1.577 97 1HG ARG 77 2HG ARG 77 -8.369 2.367 2.367 98 2HG ARG 77 1HG ARG 77 -9.021 3.604 3.604 99 1HD ARG 77 1HD ARG 77 -10.666 1.850 1.850 100 2HD ARG 77 2HD ARG 77 -10.211 1.894 1.894 101 HE ARG 77 HE ARG 77 -8.701 0.017 0.017 102 1HH1 ARG 77 2HH1 ARG 77 -11.563 0.530 0.530 103 2HH1 ARG 77 1HH1 ARG 77 -11.769 -1.148 -1.148 104 1HH2 ARG 77 2HH2 ARG 77 -8.963 -2.195 -2.195 105 2HH2 ARG 77 1HH2 ARG 77 -10.290 -2.698 -2.698 106 H SER 78 H SER 78 -5.178 4.062 4.062 107 HA SER 78 HA SER 78 -3.615 2.713 2.713 108 1HB SER 78 2HB SER 78 -3.199 5.602 5.602 109 2HB SER 78 1HB SER 78 -3.663 4.674 4.674 110 HG SER 78 HG SER 78 -5.667 5.174 5.174 111 H ALA 79 H ALA 79 -3.076 2.797 2.797 112 HA ALA 79 HA ALA 79 -1.300 2.927 2.927 113 1HB ALA 79 2HB ALA 79 0.144 2.268 2.268 114 2HB ALA 79 1HB ALA 79 0.848 2.157 2.157 115 3HB ALA 79 3HB ALA 79 -0.513 1.124 1.124 116 H THR 80 H THR 80 -1.638 5.214 5.214 117 HA THR 80 HA THR 80 0.731 6.719 6.719 118 HB THR 80 HB THR 80 0.070 7.100 7.100 119 HG1 THR 80 1HG THR 80 -0.324 9.319 9.319 120 1HG2 THR 80 2HG2 THR 80 -2.674 7.792 7.792 121 2HG2 THR 80 1HG2 THR 80 -2.113 7.964 7.964 122 3HG2 THR 80 3HG2 THR 80 -2.226 6.362 6.362 123 H CYS 81 H CYS 81 -1.190 5.944 5.944 124 HA CYS 81 HA CYS 81 -2.223 8.553 8.553 125 1HB CYS 81 1HB CYS 81 -3.961 7.068 7.068 126 2HB CYS 81 2HB CYS 81 -2.892 5.725 5.725 127 HG CYS 81 HG CYS 81 -3.360 6.138 6.138 128 H SER 82 H SER 82 -1.808 9.247 9.247 129 HA SER 82 HA SER 82 0.193 8.073 8.073 130 1HB SER 82 2HB SER 82 1.567 10.445 10.445 131 2HB SER 82 1HB SER 82 2.061 8.807 8.807 132 HG SER 82 HG SER 82 1.974 10.090 10.090 133 H PHE 83 H PHE 83 0.356 9.076 9.076 134 HA PHE 83 HA PHE 83 -0.822 11.692 11.692 135 1HB PHE 83 1HB PHE 83 -2.131 9.163 9.163 136 2HB PHE 83 2HB PHE 83 -2.362 10.684 10.684 137 HD1 PHE 83 HD1 PHE 83 -3.442 12.597 12.597 138 HD2 PHE 83 HD2 PHE 83 -3.260 8.706 8.706 139 HE1 PHE 83 HE1 PHE 83 -5.237 13.208 13.208 140 HE2 PHE 83 HE2 PHE 83 -5.055 9.309 9.309 141 HZ PHE 83 HZ PHE 83 -6.046 11.563 11.563 142 H SER 84 H SER 84 -0.259 12.660 12.660 143 HA SER 84 HA SER 84 2.156 11.888 11.888 144 1HB SER 84 2HB SER 84 0.705 14.161 14.161 145 2HB SER 84 1HB SER 84 0.316 13.535 13.535 146 HG SER 84 HG SER 84 2.876 14.118 14.118 147 H VAL 85 H VAL 85 2.512 11.368 11.368 148 HA VAL 85 HA VAL 85 0.370 10.049 10.049 149 HB VAL 85 HB VAL 85 2.587 8.154 8.154 150 1HG1 VAL 85 1HG1 VAL 85 -0.371 8.104 8.104 151 2HG1 VAL 85 3HG1 VAL 85 0.461 6.687 6.687 152 3HG1 VAL 85 2HG1 VAL 85 0.868 7.295 7.295 153 1HG2 VAL 85 2HG2 VAL 85 2.420 8.949 8.949 154 2HG2 VAL 85 1HG2 VAL 85 1.869 7.283 7.283 155 3HG2 VAL 85 3HG2 VAL 85 0.693 8.588 8.588 156 H LYS 86 H LYS 86 1.275 8.863 8.863 157 HA LYS 86 HA LYS 86 3.634 10.269 10.269 158 1HB LYS 86 1HB LYS 86 0.951 9.838 9.838 159 2HB LYS 86 2HB LYS 86 2.392 10.016 10.016 160 1HG LYS 86 1HG LYS 86 2.429 12.111 12.111 161 2HG LYS 86 2HG LYS 86 0.795 12.030 12.030 162 1HD LYS 86 2HD LYS 86 2.243 11.757 11.757 163 2HD LYS 86 1HD LYS 86 3.339 12.758 12.758 164 1HE LYS 86 1HE LYS 86 1.271 14.215 14.215 165 2HE LYS 86 2HE LYS 86 0.540 13.357 13.357 166 1HZ LYS 86 2HZ LYS 86 2.796 14.051 14.051 167 2HZ LYS 86 1HZ LYS 86 2.727 15.295 15.295 168 3HZ LYS 86 3HZ LYS 86 1.465 15.094 15.094 169 H TYR 87 H TYR 87 3.745 7.831 7.831 170 HA TYR 87 HA TYR 87 3.403 5.474 5.474 171 1HB TYR 87 1HB TYR 87 5.015 6.405 6.405 172 2HB TYR 87 2HB TYR 87 6.163 5.683 5.683 173 HD1 TYR 87 HD1 TYR 87 3.262 5.029 5.029 174 HD2 TYR 87 HD2 TYR 87 6.251 3.309 3.309 175 HE1 TYR 87 HE1 TYR 87 2.711 2.804 2.804 176 HE2 TYR 87 HE2 TYR 87 5.710 1.078 1.078 177 HH TYR 87 HH2 TYR 87 4.378 0.398 0.398 178 H LEU 88 H LEU 88 3.811 4.607 4.607 179 HA LEU 88 HA LEU 88 5.457 5.858 5.858 180 1HB LEU 88 1HB LEU 88 3.972 3.267 3.267 181 2HB LEU 88 2HB LEU 88 5.136 3.501 3.501 182 HG LEU 88 HG LEU 88 3.893 5.391 5.391 183 1HD1 LEU 88 1HD2 LEU 88 2.376 5.083 5.083 184 2HD1 LEU 88 3HD2 LEU 88 1.559 5.733 5.733 185 3HD1 LEU 88 2HD2 LEU 88 2.988 6.542 6.542 186 1HD2 LEU 88 3HD1 LEU 88 2.586 2.778 2.778 187 2HD2 LEU 88 2HD1 LEU 88 2.978 3.630 3.630 188 3HD2 LEU 88 1HD1 LEU 88 1.551 4.090 4.090 189 H GLY 89 H GLY 89 5.829 2.983 2.983 190 1HA GLY 89 2HA GLY 89 8.343 3.018 3.018 191 2HA GLY 89 1HA GLY 89 8.586 2.657 2.657 192 H CYS 90 H CYS 90 9.253 0.597 0.597 193 HA CYS 90 HA CYS 90 7.405 -1.415 -1.415 194 1HB CYS 90 1HB CYS 90 9.307 -2.745 -2.745 195 2HB CYS 90 2HB CYS 90 9.104 -1.213 -1.213 196 HG CYS 90 HG CYS 90 11.563 -1.197 -1.197 197 H VAL 91 H VAL 91 7.441 -3.399 -3.399 198 HA VAL 91 HA VAL 91 9.176 -3.584 -3.584 199 HB VAL 91 HB VAL 91 7.196 -4.380 -4.380 200 1HG1 VAL 91 2HG1 VAL 91 7.414 -1.534 -1.534 201 2HG1 VAL 91 1HG1 VAL 91 6.323 -2.022 -2.022 202 3HG1 VAL 91 3HG1 VAL 91 8.061 -2.260 -2.260 203 1HG2 VAL 91 2HG2 VAL 91 5.773 -3.359 -3.359 204 2HG2 VAL 91 1HG2 VAL 91 5.536 -4.871 -4.871 205 3HG2 VAL 91 3HG2 VAL 91 4.994 -3.350 -3.350 206 H GLU 92 H GLU 92 10.029 -5.548 -5.548 207 HA GLU 92 HA GLU 92 9.446 -7.619 -7.619 208 1HB GLU 92 2HB GLU 92 11.046 -8.955 -8.955 209 2HB GLU 92 1HB GLU 92 11.679 -7.382 -7.382 210 1HG GLU 92 1HG GLU 92 11.811 -6.660 -6.660 211 2HG GLU 92 2HG GLU 92 10.321 -7.470 -7.470 212 H VAL 93 H VAL 93 8.037 -9.237 -9.237 213 HA VAL 93 HA VAL 93 6.811 -9.889 -9.889 214 HB VAL 93 HB VAL 93 4.672 -10.295 -10.295 215 1HG1 VAL 93 2HG1 VAL 93 5.387 -8.007 -8.007 216 2HG1 VAL 93 1HG1 VAL 93 5.545 -7.540 -7.540 217 3HG1 VAL 93 3HG1 VAL 93 3.984 -8.066 -8.066 218 1HG2 VAL 93 1HG2 VAL 93 6.002 -10.613 -10.613 219 2HG2 VAL 93 3HG2 VAL 93 4.289 -10.192 -10.192 220 3HG2 VAL 93 2HG2 VAL 93 5.497 -8.935 -8.935 221 H PHE 94 H PHE 94 5.349 -12.037 -12.037 222 HA PHE 94 HA PHE 94 7.255 -13.926 -13.926 223 1HB PHE 94 2HB PHE 94 5.987 -13.916 -13.916 224 2HB PHE 94 1HB PHE 94 5.682 -15.413 -15.413 225 HD1 PHE 94 HD1 PHE 94 7.548 -16.850 -16.850 226 HD2 PHE 94 HD2 PHE 94 8.159 -13.374 -13.374 227 HE1 PHE 94 HE1 PHE 94 9.787 -17.668 -17.668 228 HE2 PHE 94 HE2 PHE 94 10.399 -14.184 -14.184 229 HZ PHE 94 HZ PHE 94 11.214 -16.335 -16.335 230 H GLU 95 H GLU 95 4.909 -12.470 -12.470 231 HA GLU 95 HA GLU 95 3.594 -14.835 -14.835 232 1HB GLU 95 1HB GLU 95 2.228 -12.526 -12.526 233 2HB GLU 95 2HB GLU 95 1.411 -13.419 -13.419 234 1HG GLU 95 1HG GLU 95 0.666 -14.645 -14.645 235 2HG GLU 95 2HG GLU 95 2.214 -15.467 -15.467 236 H SER 96 H SER 96 2.752 -11.417 -11.417 237 HA SER 96 HA SER 96 2.716 -10.029 -10.029 238 1HB SER 96 2HB SER 96 5.142 -11.699 -11.699 239 2HB SER 96 1HB SER 96 4.593 -10.430 -10.430 240 HG SER 96 HG SER 96 5.577 -9.087 -9.087 241 H ARG 97 H ARG 97 1.299 -12.690 -12.690 242 HA ARG 97 HA ARG 97 0.598 -12.683 -12.683 243 1HB ARG 97 1HB ARG 97 2.205 -14.593 -14.593 244 2HB ARG 97 2HB ARG 97 0.848 -15.271 -15.271 245 1HG ARG 97 2HG ARG 97 -0.133 -14.641 -14.641 246 2HG ARG 97 1HG ARG 97 1.436 -15.408 -15.408 247 1HD ARG 97 2HD ARG 97 0.292 -17.328 -17.328 248 2HD ARG 97 1HD ARG 97 0.350 -17.007 -17.007 249 HE ARG 97 HE ARG 97 -1.898 -16.535 -16.535 250 1HH1 ARG 97 1HH1 ARG 97 -0.682 -16.692 -16.692 251 2HH1 ARG 97 2HH1 ARG 97 -2.254 -16.649 -16.649 252 1HH2 ARG 97 1HH2 ARG 97 -3.973 -16.477 -16.477 253 2HH2 ARG 97 2HH2 ARG 97 -4.125 -16.527 -16.527 254 H GLY 98 H GLY 98 -0.594 -11.674 -11.674 255 1HA GLY 98 1HA GLY 98 -3.222 -12.937 -12.937 256 2HA GLY 98 2HA GLY 98 -2.568 -12.794 -12.794 257 H MET 99 H MET 99 -4.638 -11.598 -11.598 258 HA MET 99 HA MET 99 -4.399 -8.806 -8.806 259 1HB MET 99 2HB MET 99 -6.448 -10.019 -10.019 260 2HB MET 99 1HB MET 99 -6.875 -10.249 -10.249 261 1HG MET 99 1HG MET 99 -6.414 -7.509 -7.509 262 2HG MET 99 2HG MET 99 -7.962 -8.326 -8.326 263 1HE MET 99 3HE MET 99 -6.116 -5.983 -5.983 264 2HE MET 99 2HE MET 99 -7.692 -5.365 -5.365 265 3HE MET 99 1HE MET 99 -6.519 -5.873 -5.873 266 H GLN 100 H GLN 100 -5.061 -10.884 -10.884 267 HA GLN 100 HA GLN 100 -5.557 -8.897 -8.897 268 1HB GLN 100 1HB GLN 100 -4.279 -11.614 -11.614 269 2HB GLN 100 2HB GLN 100 -4.899 -10.607 -10.607 270 1HG GLN 100 2HG GLN 100 -6.905 -10.973 -10.973 271 2HG GLN 100 1HG GLN 100 -6.281 -12.529 -12.529 272 1HE2 GLN 100 2HE2 GLN 100 -8.408 -10.132 -10.132 273 2HE2 GLN 100 1HE2 GLN 100 -7.719 -9.507 -9.507 274 H VAL 101 H VAL 101 -2.504 -10.472 -10.472 275 HA VAL 101 HA VAL 101 -0.782 -9.320 -9.320 276 HB VAL 101 HB VAL 101 -0.195 -9.798 -9.798 277 1HG1 VAL 101 2HG1 VAL 101 1.388 -8.665 -8.665 278 2HG1 VAL 101 1HG1 VAL 101 2.016 -10.283 -10.283 279 3HG1 VAL 101 3HG1 VAL 101 1.877 -9.121 -9.121 280 1HG2 VAL 101 2HG2 VAL 101 -1.079 -11.669 -11.669 281 2HG2 VAL 101 1HG2 VAL 101 0.024 -12.003 -12.003 282 3HG2 VAL 101 3HG2 VAL 101 0.658 -11.754 -11.754 283 H CYS 102 H CYS 102 -2.396 -7.841 -7.841 284 HA CYS 102 HA CYS 102 -0.724 -5.580 -5.580 285 1HB CYS 102 2HB CYS 102 -3.686 -5.664 -5.664 286 2HB CYS 102 1HB CYS 102 -2.462 -4.659 -4.659 287 HG CYS 102 HG CYS 102 -3.339 -7.154 -7.154 288 H GLU 103 H GLU 103 -3.663 -6.160 -6.160 289 HA GLU 103 HA GLU 103 -4.103 -3.612 -3.612 290 1HB GLU 103 2HB GLU 103 -4.827 -6.331 -6.331 291 2HB GLU 103 1HB GLU 103 -4.699 -5.242 -5.242 292 1HG GLU 103 1HG GLU 103 -6.159 -3.671 -3.671 293 2HG GLU 103 2HG GLU 103 -6.584 -5.182 -5.182 294 H GLU 104 H GLU 104 -2.153 -6.184 -6.184 295 HA GLU 104 HA GLU 104 -1.139 -4.404 -4.404 296 1HB GLU 104 1HB GLU 104 0.316 -6.319 -6.319 297 2HB GLU 104 2HB GLU 104 -1.390 -6.740 -6.740 298 1HG GLU 104 1HG GLU 104 -0.576 -7.319 -7.319 299 2HG GLU 104 2HG GLU 104 0.861 -7.718 -7.718 300 H ALA 105 H ALA 105 0.042 -5.710 -5.710 301 HA ALA 105 HA ALA 105 2.706 -5.022 -5.022 302 1HB ALA 105 2HB ALA 105 0.728 -5.112 -5.112 303 2HB ALA 105 1HB ALA 105 2.341 -4.469 -4.469 304 3HB ALA 105 3HB ALA 105 2.146 -6.119 -6.119 305 H LEU 106 H LEU 106 -0.067 -2.954 -2.954 306 HA LEU 106 HA LEU 106 1.404 -0.596 -0.596 307 1HB LEU 106 1HB LEU 106 -1.125 -1.200 -1.200 308 2HB LEU 106 2HB LEU 106 -1.311 -0.522 -0.522 309 HG LEU 106 HG LEU 106 0.138 1.083 1.083 310 1HD1 LEU 106 2HD1 LEU 106 -2.273 0.025 0.025 311 2HD1 LEU 106 1HD1 LEU 106 -2.754 1.535 1.535 312 3HD1 LEU 106 3HD1 LEU 106 -1.641 1.560 1.560 313 1HD2 LEU 106 3HD2 LEU 106 -1.085 1.458 1.458 314 2HD2 LEU 106 2HD2 LEU 106 0.079 2.467 2.467 315 3HD2 LEU 106 1HD2 LEU 106 -1.646 2.645 2.645 316 H LYS 107 H LYS 107 -0.016 -1.923 -1.923 317 HA LYS 107 HA LYS 107 0.577 0.276 0.276 318 1HB LYS 107 1HB LYS 107 0.097 -1.133 -1.133 319 2HB LYS 107 2HB LYS 107 -0.912 -1.717 -1.717 320 1HG LYS 107 1HG LYS 107 0.298 -3.654 -3.654 321 2HG LYS 107 2HG LYS 107 1.741 -2.991 -2.991 322 1HD LYS 107 1HD LYS 107 0.780 -3.115 -3.115 323 2HD LYS 107 2HD LYS 107 -0.830 -3.386 -3.386 324 1HE LYS 107 2HE LYS 107 -0.507 -5.594 -5.594 325 2HE LYS 107 1HE LYS 107 1.108 -5.385 -5.385 326 1HZ LYS 107 3HZ LYS 107 1.871 -4.924 -4.924 327 2HZ LYS 107 2HZ LYS 107 0.345 -5.401 -5.401 328 3HZ LYS 107 1HZ LYS 107 1.337 -6.508 -6.508 329 H VAL 108 H VAL 108 2.471 -2.464 -2.464 330 HA VAL 108 HA VAL 108 4.657 -2.077 -2.077 331 HB VAL 108 HB VAL 108 4.768 -3.365 -3.365 332 1HG1 VAL 108 3HG1 VAL 108 6.488 -3.463 -3.463 333 2HG1 VAL 108 2HG1 VAL 108 6.510 -4.766 -4.766 334 3HG1 VAL 108 1HG1 VAL 108 6.954 -3.127 -3.127 335 1HG2 VAL 108 3HG2 VAL 108 3.113 -4.117 -4.117 336 2HG2 VAL 108 2HG2 VAL 108 3.580 -5.105 -5.105 337 3HG2 VAL 108 1HG2 VAL 108 4.504 -5.196 -5.196 338 H LEU 109 H LEU 109 3.831 -0.829 -0.829 339 HA LEU 109 HA LEU 109 6.267 0.290 0.290 340 1HB LEU 109 1HB LEU 109 3.443 0.681 0.681 341 2HB LEU 109 2HB LEU 109 4.392 2.143 2.143 342 HG LEU 109 HG LEU 109 4.380 1.124 1.124 343 1HD1 LEU 109 2HD2 LEU 109 6.773 1.407 1.407 344 2HD1 LEU 109 1HD2 LEU 109 6.947 -0.019 -0.019 345 3HD1 LEU 109 3HD2 LEU 109 6.534 1.538 1.538 346 1HD2 LEU 109 3HD1 LEU 109 4.942 -1.415 -1.415 347 2HD2 LEU 109 2HD1 LEU 109 3.617 -1.052 -1.052 348 3HD2 LEU 109 1HD1 LEU 109 5.256 -1.262 -1.262 349 H ARG 110 H ARG 110 3.971 1.241 1.241 350 HA ARG 110 HA ARG 110 5.303 3.806 3.806 351 1HB ARG 110 2HB ARG 110 2.863 3.823 3.823 352 2HB ARG 110 1HB ARG 110 2.847 2.574 2.574 353 1HG ARG 110 1HG ARG 110 4.389 4.937 4.937 354 2HG ARG 110 2HG ARG 110 2.679 5.262 5.262 355 1HD ARG 110 2HD ARG 110 2.379 3.091 3.091 356 2HD ARG 110 1HD ARG 110 3.966 3.567 3.567 357 HE ARG 110 HE ARG 110 1.460 4.847 4.847 358 1HH1 ARG 110 1HH1 ARG 110 4.899 5.331 5.331 359 2HH1 ARG 110 2HH1 ARG 110 4.913 6.704 6.704 360 1HH2 ARG 110 1HH2 ARG 110 1.466 6.655 6.655 361 2HH2 ARG 110 2HH2 ARG 110 2.962 7.457 7.457 362 H GLN 111 H GLN 111 4.468 0.820 0.820 363 HA GLN 111 HA GLN 111 5.665 1.290 1.290 364 1HB GLN 111 1HB GLN 111 4.626 -0.956 -0.956 365 2HB GLN 111 2HB GLN 111 6.162 -1.424 -1.424 366 1HG GLN 111 1HG GLN 111 3.787 -0.264 -0.264 367 2HG GLN 111 2HG GLN 111 4.328 -1.941 -1.941 368 1HE2 GLN 111 2HE2 GLN 111 6.908 -1.405 -1.405 369 2HE2 GLN 111 1HE2 GLN 111 6.254 -2.455 -2.455 370 H SER 112 H SER 112 7.133 0.732 0.732 371 HA SER 112 HA SER 112 9.756 0.293 0.293 372 1HB SER 112 1HB SER 112 8.485 -0.660 -0.660 373 2HB SER 112 2HB SER 112 9.919 0.249 0.249 374 HG SER 112 HG SER 112 9.712 -2.167 -2.167 375 H ARG 113 H ARG 113 11.571 1.347 1.347 376 HA ARG 113 HA ARG 113 11.367 4.145 4.145 377 1HB ARG 113 2HB ARG 113 13.581 4.281 4.281 378 2HB ARG 113 1HB ARG 113 13.483 2.742 2.742 379 1HG ARG 113 1HG ARG 113 13.136 2.980 2.980 380 2HG ARG 113 2HG ARG 113 14.709 2.756 2.756 381 1HD ARG 113 1HD ARG 113 13.505 0.762 0.762 382 2HD ARG 113 2HD ARG 113 12.396 0.881 0.881 383 HE ARG 113 HE ARG 113 14.779 0.820 0.820 384 1HH1 ARG 113 1HH1 ARG 113 13.413 -1.177 -1.177 385 2HH1 ARG 113 2HH1 ARG 113 14.295 -2.591 -2.591 386 1HH2 ARG 113 1HH2 ARG 113 15.941 -1.037 -1.037 387 2HH2 ARG 113 2HH2 ARG 113 15.732 -2.512 -2.512 388 H ARG 114 H ARG 114 10.239 2.158 2.158 389 HA ARG 114 HA ARG 114 10.589 3.435 3.435 390 1HB ARG 114 2HB ARG 114 8.385 1.887 1.887 391 2HB ARG 114 1HB ARG 114 7.934 2.874 2.874 392 1HG ARG 114 1HG ARG 114 8.600 0.476 0.476 393 2HG ARG 114 2HG ARG 114 9.380 1.722 1.722 394 1HD ARG 114 1HD ARG 114 10.789 1.030 1.030 395 2HD ARG 114 2HD ARG 114 10.679 -0.278 -0.278 396 HE ARG 114 HE ARG 114 11.557 2.252 2.252 397 1HH1 ARG 114 1HH1 ARG 114 12.518 -0.771 -0.771 398 2HH1 ARG 114 2HH1 ARG 114 14.123 -0.715 -0.715 399 1HH2 ARG 114 1HH2 ARG 114 13.669 2.333 2.333 400 2HH2 ARG 114 2HH2 ARG 114 14.778 1.049 1.049 401 H ARG 115 H ARG 115 10.602 5.556 5.556 402 HA ARG 115 HA ARG 115 8.575 7.253 7.253 403 1HB ARG 115 2HB ARG 115 9.984 9.133 9.133 404 2HB ARG 115 1HB ARG 115 10.911 7.953 7.953 405 1HG ARG 115 2HG ARG 115 11.612 7.016 7.016 406 2HG ARG 115 1HG ARG 115 11.003 8.538 8.538 407 1HD ARG 115 1HD ARG 115 12.545 9.351 9.351 408 2HD ARG 115 2HD ARG 115 13.450 7.980 7.980 409 HE ARG 115 HE ARG 115 12.858 9.440 9.440 410 1HH1 ARG 115 1HH1 ARG 115 14.360 10.175 10.175 411 2HH1 ARG 115 2HH1 ARG 115 15.370 11.423 11.423 412 1HH2 ARG 115 1HH2 ARG 115 14.183 11.083 11.083 413 2HH2 ARG 115 2HH2 ARG 115 15.269 11.940 11.940 414 HA PRO 116 HA PRO 116 6.081 7.645 7.645 415 1HB PRO 116 2HB PRO 116 5.918 10.531 10.531 416 2HB PRO 116 1HB PRO 116 4.621 9.359 9.359 417 1HG PRO 116 1HG PRO 116 5.248 10.185 10.185 418 2HG PRO 116 2HG PRO 116 4.804 8.496 8.496 419 1HD PRO 116 1HD PRO 116 7.504 9.697 9.697 420 2HD PRO 116 2HD PRO 116 6.853 8.140 8.140 421 H VAL 117 H VAL 117 6.001 8.667 8.667 422 HA VAL 117 HA VAL 117 8.511 10.031 10.031 423 HB VAL 117 HB VAL 117 8.019 7.636 7.636 424 1HG1 VAL 117 2HG2 VAL 117 5.704 8.388 8.388 425 2HG1 VAL 117 1HG2 VAL 117 6.578 9.127 9.127 426 3HG1 VAL 117 3HG2 VAL 117 6.687 7.387 7.387 427 1HG2 VAL 117 2HG1 VAL 117 9.595 9.712 9.712 428 2HG2 VAL 117 1HG1 VAL 117 9.674 8.058 8.058 429 3HG2 VAL 117 3HG1 VAL 117 8.737 9.273 9.273 430 H ARG 118 H ARG 118 8.169 11.190 11.190 431 HA ARG 118 HA ARG 118 5.543 12.411 12.411 432 1HB ARG 118 2HB ARG 118 7.302 13.700 13.700 433 2HB ARG 118 1HB ARG 118 7.776 14.361 14.361 434 1HG ARG 118 2HG ARG 118 5.931 15.615 15.615 435 2HG ARG 118 1HG ARG 118 4.888 14.343 14.343 436 1HD ARG 118 2HD ARG 118 4.728 15.774 15.774 437 2HD ARG 118 1HD ARG 118 6.217 14.966 14.966 438 HE ARG 118 HE ARG 118 7.271 16.965 16.965 439 1HH1 ARG 118 2HH2 ARG 118 4.464 16.970 16.970 440 2HH1 ARG 118 1HH2 ARG 118 4.698 18.601 18.601 441 1HH2 ARG 118 2HH1 ARG 118 7.589 19.114 19.114 442 2HH2 ARG 118 1HH1 ARG 118 6.475 19.820 19.820 443 H GLY 119 H GLY 119 5.647 11.166 11.166 444 1HA GLY 119 2HA GLY 119 6.989 12.685 12.685 445 2HA GLY 119 1HA GLY 119 7.337 10.969 10.969 446 H LEU 120 H LEU 120 6.504 10.572 10.572 447 HA LEU 120 HA LEU 120 3.573 10.796 10.796 448 1HB LEU 120 1HB LEU 120 5.716 11.579 11.579 449 2HB LEU 120 2HB LEU 120 4.595 10.484 10.484 450 HG LEU 120 HG LEU 120 4.017 13.192 13.192 451 1HD1 LEU 120 1HD1 LEU 120 4.919 12.912 12.912 452 2HD1 LEU 120 3HD1 LEU 120 3.394 12.113 12.113 453 3HD1 LEU 120 2HD1 LEU 120 3.398 13.792 13.792 454 1HD2 LEU 120 1HD2 LEU 120 2.288 10.922 10.922 455 2HD2 LEU 120 3HD2 LEU 120 1.949 12.566 12.566 456 3HD2 LEU 120 2HD2 LEU 120 1.703 12.127 12.127 457 H LEU 121 H LEU 121 2.450 8.976 8.976 458 HA LEU 121 HA LEU 121 3.902 6.465 6.465 459 1HB LEU 121 1HB LEU 121 1.593 7.175 7.175 460 2HB LEU 121 2HB LEU 121 0.986 6.317 6.317 461 HG LEU 121 HG LEU 121 2.839 5.267 5.267 462 1HD1 LEU 121 3HD2 LEU 121 0.090 5.316 5.316 463 2HD1 LEU 121 2HD2 LEU 121 0.512 3.708 3.708 464 3HD1 LEU 121 1HD2 LEU 121 1.050 4.232 4.232 465 1HD2 LEU 121 2HD1 LEU 121 2.941 4.607 4.607 466 2HD2 LEU 121 1HD1 LEU 121 3.639 3.709 3.709 467 3HD2 LEU 121 3HD1 LEU 121 2.024 3.310 3.310 468 H HIS 122 H HIS 122 4.506 6.085 6.085 469 HA HIS 122 HA HIS 122 3.050 7.051 7.051 470 1HB HIS 122 2HB HIS 122 5.506 5.447 5.447 471 2HB HIS 122 1HB HIS 122 4.700 5.221 5.221 472 HD1 HIS 122 HD1 HIS 122 4.841 7.160 7.160 473 HD2 HIS 122 HD2 HIS 122 6.591 7.998 7.998 474 HE1 HIS 122 HE1 HIS 122 6.151 9.301 9.301 475 H VAL 123 H VAL 123 0.980 6.023 6.023 476 HA VAL 123 HA VAL 123 0.681 3.189 3.189 477 HB VAL 123 HB VAL 123 -1.422 5.329 5.329 478 1HG1 VAL 123 2HG1 VAL 123 -2.192 3.255 3.255 479 2HG1 VAL 123 1HG1 VAL 123 -1.733 2.345 2.345 480 3HG1 VAL 123 3HG1 VAL 123 -2.996 3.571 3.571 481 1HG2 VAL 123 2HG2 VAL 123 0.301 4.775 4.775 482 2HG2 VAL 123 1HG2 VAL 123 -1.414 4.908 4.908 483 3HG2 VAL 123 3HG2 VAL 123 -0.673 3.318 3.318 484 H SER 124 H SER 124 1.138 2.649 2.649 485 HA SER 124 HA SER 124 -0.537 3.941 3.941 486 1HB SER 124 1HB SER 124 1.208 3.750 3.750 487 2HB SER 124 2HB SER 124 2.011 4.298 4.298 488 HG SER 124 HG SER 124 2.480 2.031 2.031 489 H GLY 125 H GLY 125 -1.528 1.813 1.813 490 1HA GLY 125 2HA GLY 125 -2.322 -0.349 -0.349 491 2HA GLY 125 1HA GLY 125 -2.605 0.117 0.117 492 H ASP 126 H ASP 126 0.467 -0.383 -0.383 493 HA ASP 126 HA ASP 126 0.955 -2.922 -2.922 494 1HB ASP 126 1HB ASP 126 1.307 -1.375 -1.375 495 2HB ASP 126 2HB ASP 126 2.578 -0.574 -0.574 496 H GLY 127 H GLY 127 2.416 -0.050 -0.050 497 1HA GLY 127 2HA GLY 127 3.778 -1.830 -1.830 498 2HA GLY 127 1HA GLY 127 4.784 -0.759 -0.759 499 H LEU 128 H LEU 128 3.659 -1.112 -1.112 500 HA LEU 128 HA LEU 128 2.759 1.593 1.593 501 1HB LEU 128 2HB LEU 128 3.022 -0.941 -0.941 502 2HB LEU 128 1HB LEU 128 3.081 0.553 0.553 503 HG LEU 128 HG LEU 128 0.862 0.979 0.979 504 1HD1 LEU 128 3HD2 LEU 128 1.098 -0.364 -0.364 505 2HD1 LEU 128 2HD2 LEU 128 -0.466 0.026 0.026 506 3HD1 LEU 128 1HD2 LEU 128 0.688 1.313 1.313 507 1HD2 LEU 128 1HD1 LEU 128 1.008 -1.993 -1.993 508 2HD2 LEU 128 3HD1 LEU 128 0.998 -1.165 -1.165 509 3HD2 LEU 128 2HD1 LEU 128 -0.430 -1.114 -1.114 510 H ARG 129 H ARG 129 4.875 2.431 2.431 511 HA ARG 129 HA ARG 129 7.168 2.111 2.111 512 1HB ARG 129 1HB ARG 129 6.842 3.879 3.879 513 2HB ARG 129 2HB ARG 129 8.353 3.488 3.488 514 1HG ARG 129 2HG ARG 129 8.106 1.151 1.151 515 2HG ARG 129 1HG ARG 129 6.561 1.513 1.513 516 1HD ARG 129 2HD ARG 129 7.598 2.093 2.093 517 2HD ARG 129 1HD ARG 129 8.541 3.303 3.303 518 HE ARG 129 HE ARG 129 9.570 0.653 0.653 519 1HH1 ARG 129 1HH1 ARG 129 9.515 3.436 3.436 520 2HH1 ARG 129 2HH1 ARG 129 11.041 3.073 3.073 521 1HH2 ARG 129 1HH2 ARG 129 11.580 0.165 0.165 522 2HH2 ARG 129 2HH2 ARG 129 12.213 1.214 1.214 523 H VAL 130 H VAL 130 6.513 3.068 3.068 524 HA VAL 130 HA VAL 130 5.626 5.833 5.833 525 HB VAL 130 HB VAL 130 4.609 4.353 4.353 526 1HG1 VAL 130 1HG2 VAL 130 7.274 3.367 3.367 527 2HG1 VAL 130 3HG2 VAL 130 6.665 3.860 3.860 528 3HG1 VAL 130 2HG2 VAL 130 5.767 2.689 2.689 529 1HG2 VAL 130 2HG1 VAL 130 6.489 6.300 6.300 530 2HG2 VAL 130 1HG1 VAL 130 4.889 6.665 6.665 531 3HG2 VAL 130 3HG1 VAL 130 5.055 5.589 5.589 532 H VAL 131 H VAL 131 7.404 6.988 6.988 533 HA VAL 131 HA VAL 131 9.971 6.710 6.710 534 HB VAL 131 HB VAL 131 9.787 7.134 7.134 535 1HG1 VAL 131 2HG2 VAL 131 8.052 9.147 9.147 536 2HG1 VAL 131 1HG2 VAL 131 9.516 10.015 10.015 537 3HG1 VAL 131 3HG2 VAL 131 8.745 8.910 8.910 538 1HG2 VAL 131 1HG1 VAL 131 11.835 7.577 7.577 539 2HG2 VAL 131 3HG1 VAL 131 11.686 8.601 8.601 540 3HG2 VAL 131 2HG1 VAL 131 11.316 9.254 9.254 541 H ASP 132 H ASP 132 11.097 8.618 8.618 542 HA ASP 132 HA ASP 132 9.239 10.246 10.246 543 1HB ASP 132 1HB ASP 132 11.771 10.775 10.775 544 2HB ASP 132 2HB ASP 132 10.608 9.655 9.655 545 H ASP 133 H ASP 133 9.456 12.499 12.499 546 HA ASP 133 HA ASP 133 10.774 13.681 13.681 547 1HB ASP 133 2HB ASP 133 8.304 14.032 14.032 548 2HB ASP 133 1HB ASP 133 8.776 15.006 15.006 549 H GLU 134 H GLU 134 11.898 13.004 13.004 550 HA GLU 134 HA GLU 134 12.998 15.675 15.675 551 1HB GLU 134 1HB GLU 134 11.722 14.315 14.315 552 2HB GLU 134 2HB GLU 134 13.184 13.342 13.342 553 1HG GLU 134 1HG GLU 134 14.356 14.941 14.941 554 2HG GLU 134 2HG GLU 134 13.583 16.250 16.250 555 H THR 135 H THR 135 13.815 12.252 12.252 556 HA THR 135 HA THR 135 16.618 13.019 13.019 557 HB THR 135 HB THR 135 17.156 10.640 10.640 558 HG1 THR 135 1HG THR 135 15.474 9.383 9.383 559 1HG2 THR 135 3HG2 THR 135 16.390 12.646 12.646 560 2HG2 THR 135 2HG2 THR 135 15.844 11.088 11.088 561 3HG2 THR 135 1HG2 THR 135 17.544 11.330 11.330 562 H LYS 136 H LYS 136 13.784 11.666 11.666 563 HA LYS 136 HA LYS 136 13.283 11.093 11.093 564 1HB LYS 136 2HB LYS 136 15.490 12.733 12.733 565 2HB LYS 136 1HB LYS 136 15.952 11.272 11.272 566 1HG LYS 136 1HG LYS 136 14.845 12.999 12.999 567 2HG LYS 136 2HG LYS 136 14.051 11.423 11.423 568 1HD LYS 136 2HD LYS 136 12.150 12.300 12.300 569 2HD LYS 136 1HD LYS 136 12.988 13.060 13.060 570 1HE LYS 136 1HE LYS 136 11.821 14.690 14.690 571 2HE LYS 136 2HE LYS 136 13.562 14.963 14.963 572 1HZ LYS 136 3HZ LYS 136 12.663 13.250 13.250 573 2HZ LYS 136 2HZ LYS 136 12.157 14.859 14.859 574 3HZ LYS 136 1HZ LYS 136 13.806 14.497 14.497 575 H GLY 137 H GLY 137 14.004 9.169 9.169 576 1HA GLY 137 2HA GLY 137 15.399 7.148 7.148 577 2HA GLY 137 1HA GLY 137 15.289 7.108 7.108 578 H LEU 138 H LEU 138 14.443 5.253 5.253 579 HA LEU 138 HA LEU 138 11.592 5.136 5.136 580 1HB LEU 138 1HB LEU 138 12.631 4.260 4.260 581 2HB LEU 138 2HB LEU 138 13.715 3.255 3.255 582 HG LEU 138 HG LEU 138 12.059 1.662 1.662 583 1HD1 LEU 138 2HD1 LEU 138 10.178 3.906 3.906 584 2HD1 LEU 138 1HD1 LEU 138 9.624 2.273 2.273 585 3HD1 LEU 138 3HD1 LEU 138 10.173 2.670 2.670 586 1HD2 LEU 138 1HD2 LEU 138 12.802 2.003 2.003 587 2HD2 LEU 138 3HD2 LEU 138 11.463 0.913 0.913 588 3HD2 LEU 138 2HD2 LEU 138 11.140 2.539 2.539 589 H ILE 139 H ILE 139 10.543 4.646 4.646 590 HA ILE 139 HA ILE 139 11.676 3.221 3.221 591 HB ILE 139 HB ILE 139 8.742 3.726 3.726 592 1HG1 ILE 139 2HG1 ILE 139 10.780 5.496 5.496 593 2HG1 ILE 139 1HG1 ILE 139 10.063 5.808 5.808 594 1HG2 ILE 139 2HG2 ILE 139 10.377 2.912 2.912 595 2HG2 ILE 139 1HG2 ILE 139 8.925 3.881 3.881 596 3HG2 ILE 139 3HG2 ILE 139 8.812 2.312 2.312 597 1HD1 ILE 139 3HD1 ILE 139 7.818 5.737 5.737 598 2HD1 ILE 139 2HD1 ILE 139 8.797 5.941 5.941 599 3HD1 ILE 139 1HD1 ILE 139 8.848 7.158 7.158 600 H VAL 140 H VAL 140 8.910 2.331 2.331 601 HA VAL 140 HA VAL 140 9.546 -0.487 -0.487 602 HB VAL 140 HB VAL 140 6.904 0.694 0.694 603 1HG1 VAL 140 3HG1 VAL 140 7.899 -1.937 -1.937 604 2HG1 VAL 140 2HG1 VAL 140 6.710 -1.951 -1.951 605 3HG1 VAL 140 1HG1 VAL 140 6.260 -1.360 -1.360 606 1HG2 VAL 140 3HG2 VAL 140 7.951 -0.216 -0.216 607 2HG2 VAL 140 2HG2 VAL 140 7.154 1.302 1.302 608 3HG2 VAL 140 1HG2 VAL 140 6.222 -0.195 -0.195 609 H ASP 141 H ASP 141 10.897 -1.068 -1.068 610 HA ASP 141 HA ASP 141 10.218 -0.370 -0.370 611 1HB ASP 141 2HB ASP 141 12.543 -0.060 -0.060 612 2HB ASP 141 1HB ASP 141 12.650 -1.713 -1.713 613 H GLN 142 H GLN 142 8.268 -1.756 -1.756 614 HA GLN 142 HA GLN 142 8.929 -4.478 -4.478 615 1HB GLN 142 1HB GLN 142 7.801 -3.841 -3.841 616 2HB GLN 142 2HB GLN 142 6.518 -4.556 -4.556 617 1HG GLN 142 1HG GLN 142 9.073 -5.979 -5.979 618 2HG GLN 142 2HG GLN 142 8.330 -5.946 -5.946 619 1HE2 GLN 142 1HE2 GLN 142 6.724 -8.859 -8.859 620 2HE2 GLN 142 2HE2 GLN 142 8.017 -8.203 -8.203 621 H THR 143 H THR 143 6.902 -5.597 -5.597 622 HA THR 143 HA THR 143 5.459 -3.679 -3.679 623 HB THR 143 HB THR 143 5.896 -6.650 -6.650 624 HG1 THR 143 1HG THR 143 7.012 -4.474 -4.474 625 1HG2 THR 143 1HG2 THR 143 3.992 -4.978 -4.978 626 2HG2 THR 143 3HG2 THR 143 5.241 -5.328 -5.328 627 3HG2 THR 143 2HG2 THR 143 4.397 -6.650 -6.650 628 H ILE 144 H ILE 144 3.231 -3.677 -3.677 629 HA ILE 144 HA ILE 144 1.849 -4.618 -4.618 630 HB ILE 144 HB ILE 144 1.329 -2.531 -2.531 631 1HG1 ILE 144 1HG1 ILE 144 -1.012 -4.311 -4.311 632 2HG1 ILE 144 2HG1 ILE 144 -0.031 -3.472 -3.472 633 1HG2 ILE 144 1HG2 ILE 144 1.042 -4.178 -4.178 634 2HG2 ILE 144 3HG2 ILE 144 -0.634 -4.100 -4.100 635 3HG2 ILE 144 2HG2 ILE 144 0.225 -2.619 -2.619 636 1HD1 ILE 144 1HD1 ILE 144 -0.842 -1.561 -1.561 637 2HD1 ILE 144 3HD1 ILE 144 -2.259 -2.510 -2.510 638 3HD1 ILE 144 2HD1 ILE 144 -1.314 -1.695 -1.695 639 H GLU 145 H GLU 145 2.359 -5.865 -5.865 640 HA GLU 145 HA GLU 145 0.258 -7.835 -7.835 641 1HB GLU 145 1HB GLU 145 2.554 -7.887 -7.887 642 2HB GLU 145 2HB GLU 145 0.929 -8.524 -8.524 643 1HG GLU 145 2HG GLU 145 0.211 -6.619 -6.619 644 2HG GLU 145 1HG GLU 145 0.859 -5.689 -5.689 645 H LYS 146 H LYS 146 3.682 -7.630 -7.630 646 HA LYS 146 HA LYS 146 3.900 -10.507 -10.507 647 1HB LYS 146 2HB LYS 146 5.693 -8.880 -8.880 648 2HB LYS 146 1HB LYS 146 6.099 -8.587 -8.587 649 1HG LYS 146 2HG LYS 146 6.206 -11.173 -11.173 650 2HG LYS 146 1HG LYS 146 6.352 -11.096 -11.096 651 1HD LYS 146 2HD LYS 146 8.279 -9.572 -9.572 652 2HD LYS 146 1HD LYS 146 8.156 -9.752 -9.752 653 1HE LYS 146 2HE LYS 146 8.899 -11.817 -11.817 654 2HE LYS 146 1HE LYS 146 9.833 -11.261 -11.261 655 1HZ LYS 146 3HZ LYS 146 7.876 -12.216 -12.216 656 2HZ LYS 146 2HZ LYS 146 7.523 -13.085 -13.085 657 3HZ LYS 146 1HZ LYS 146 9.019 -13.284 -13.284 658 H VAL 147 H VAL 147 4.044 -7.503 -7.503 659 HA VAL 147 HA VAL 147 4.799 -8.393 -8.393 660 HB VAL 147 HB VAL 147 4.280 -6.031 -6.031 661 1HG1 VAL 147 1HG2 VAL 147 2.161 -6.436 -6.436 662 2HG1 VAL 147 3HG2 VAL 147 1.406 -6.862 -6.862 663 3HG1 VAL 147 2HG2 VAL 147 1.998 -5.223 -5.223 664 1HG2 VAL 147 2HG1 VAL 147 4.374 -7.070 -7.070 665 2HG2 VAL 147 1HG1 VAL 147 3.755 -5.431 -5.431 666 3HG2 VAL 147 3HG1 VAL 147 2.635 -6.778 -6.778 667 H SER 148 H SER 148 3.495 -8.840 -8.840 668 HA SER 148 HA SER 148 1.919 -11.092 -11.092 669 1HB SER 148 2HB SER 148 1.524 -9.171 -9.171 670 2HB SER 148 1HB SER 148 1.533 -10.935 -10.935 671 HG SER 148 HG SER 148 3.558 -10.779 -10.779 672 H PHE 149 H PHE 149 0.897 -7.730 -7.730 673 HA PHE 149 HA PHE 149 -1.114 -7.305 -7.305 674 1HB PHE 149 1HB PHE 149 -3.244 -8.053 -8.053 675 2HB PHE 149 2HB PHE 149 -2.292 -9.362 -9.362 676 HD1 PHE 149 HD1 PHE 149 -2.606 -7.536 -7.536 677 HD2 PHE 149 HD2 PHE 149 -2.183 -11.273 -11.273 678 HE1 PHE 149 HE1 PHE 149 -2.699 -8.697 -8.697 679 HE2 PHE 149 HE2 PHE 149 -2.276 -12.439 -12.439 680 HZ PHE 149 HZ PHE 149 -2.536 -11.153 -11.153 681 H CYS 150 H CYS 150 -3.158 -6.124 -6.124 682 HA CYS 150 HA CYS 150 -1.948 -4.467 -4.467 683 1HB CYS 150 1HB CYS 150 -3.136 -2.568 -2.568 684 2HB CYS 150 2HB CYS 150 -2.388 -3.326 -3.326 685 HG CYS 150 HG CYS 150 -4.793 -4.315 -4.315 686 H ALA 151 H ALA 151 -3.324 -3.736 -3.736 687 HA ALA 151 HA ALA 151 -6.032 -4.437 -4.437 688 1HB ALA 151 2HB ALA 151 -4.102 -6.524 -6.524 689 2HB ALA 151 1HB ALA 151 -5.331 -6.185 -6.185 690 3HB ALA 151 3HB ALA 151 -5.812 -6.648 -6.648 691 HA PRO 152 HA PRO 152 -4.732 -1.350 -1.350 692 1HB PRO 152 2HB PRO 152 -7.211 -0.267 -0.267 693 2HB PRO 152 1HB PRO 152 -6.120 0.175 0.175 694 1HG PRO 152 2HG PRO 152 -8.418 -1.746 -1.746 695 2HG PRO 152 1HG PRO 152 -7.979 -0.525 -0.525 696 1HD PRO 152 2HD PRO 152 -7.389 -3.137 -3.137 697 2HD PRO 152 1HD PRO 152 -6.322 -1.850 -1.850 698 H ASP 153 H ASP 153 -5.248 -1.039 -1.039 699 HA ASP 153 HA ASP 153 -5.643 -3.269 -3.269 700 1HB ASP 153 1HB ASP 153 -6.502 -1.582 -1.582 701 2HB ASP 153 2HB ASP 153 -4.852 -1.442 -1.442 702 H ARG 154 H ARG 154 -8.184 -0.819 -0.819 703 HA ARG 154 HA ARG 154 -10.209 -2.665 -2.665 704 1HB ARG 154 1HB ARG 154 -9.613 -2.827 -2.827 705 2HB ARG 154 2HB ARG 154 -10.876 -1.604 -1.604 706 1HG ARG 154 1HG ARG 154 -12.361 -3.244 -3.244 707 2HG ARG 154 2HG ARG 154 -11.833 -3.616 -3.616 708 1HD ARG 154 1HD ARG 154 -9.927 -4.752 -4.752 709 2HD ARG 154 2HD ARG 154 -11.507 -5.147 -5.147 710 HE ARG 154 HE ARG 154 -10.359 -6.169 -6.169 711 1HH1 ARG 154 1HH1 ARG 154 -13.335 -5.471 -5.471 712 2HH1 ARG 154 2HH1 ARG 154 -14.257 -6.641 -6.641 713 1HH2 ARG 154 2HH2 ARG 154 -11.563 -7.711 -7.711 714 2HH2 ARG 154 1HH2 ARG 154 -13.249 -7.913 -7.913 715 H ASN 155 H ASN 155 -9.249 -0.087 -0.087 716 HA ASN 155 HA ASN 155 -9.921 2.056 2.056 717 1HB ASN 155 1HB ASN 155 -12.543 0.575 0.575 718 2HB ASN 155 2HB ASN 155 -12.146 2.121 2.121 719 1HD2 ASN 155 1HD2 ASN 155 -10.981 -1.347 -1.347 720 2HD2 ASN 155 2HD2 ASN 155 -11.859 -1.277 -1.277 721 H HIS 156 H HIS 156 -10.037 1.431 1.431 722 HA HIS 156 HA HIS 156 -12.341 3.046 3.046 723 1HB HIS 156 1HB HIS 156 -11.904 0.739 0.739 724 2HB HIS 156 2HB HIS 156 -10.528 1.478 1.478 725 HD1 HIS 156 HD1 HIS 156 -14.254 1.294 1.294 726 HD2 HIS 156 HD2 HIS 156 -11.168 3.314 3.314 727 HE1 HIS 156 HE1 HIS 156 -15.269 2.350 2.350 728 H GLU 157 H GLU 157 -9.567 3.893 3.893 729 HA GLU 157 HA GLU 157 -9.430 6.232 6.232 730 1HB GLU 157 2HB GLU 157 -7.746 4.014 4.014 731 2HB GLU 157 1HB GLU 157 -6.791 5.427 5.427 732 1HG GLU 157 1HG GLU 157 -7.923 6.773 6.773 733 2HG GLU 157 2HG GLU 157 -9.100 5.501 5.501 734 H ARG 158 H ARG 158 -9.541 5.372 5.372 735 HA ARG 158 HA ARG 158 -8.654 5.918 5.918 736 1HB ARG 158 1HB ARG 158 -7.571 8.143 8.143 737 2HB ARG 158 2HB ARG 158 -7.468 8.141 8.141 738 1HG ARG 158 2HG ARG 158 -9.368 9.350 9.350 739 2HG ARG 158 1HG ARG 158 -10.083 7.736 7.736 740 1HD ARG 158 1HD ARG 158 -9.368 8.194 8.194 741 2HD ARG 158 2HD ARG 158 -10.015 9.738 9.738 742 HE ARG 158 HE ARG 158 -11.468 7.277 7.277 743 1HH1 ARG 158 1HH1 ARG 158 -11.421 10.394 10.394 744 2HH1 ARG 158 2HH1 ARG 158 -13.140 10.468 10.468 745 1HH2 ARG 158 1HH2 ARG 158 -13.735 7.365 7.365 746 2HH2 ARG 158 2HH2 ARG 158 -14.456 8.746 8.746 747 H GLY 159 H GLY 159 -7.053 4.151 4.151 748 1HA GLY 159 1HA GLY 159 -4.358 4.741 4.741 749 2HA GLY 159 2HA GLY 159 -4.681 3.805 3.805 750 H PHE 160 H PHE 160 -3.071 3.034 3.034 751 HA PHE 160 HA PHE 160 -4.470 0.552 0.552 752 1HB PHE 160 2HB PHE 160 -2.798 1.660 1.660 753 2HB PHE 160 1HB PHE 160 -4.289 0.736 0.736 754 HD1 PHE 160 HD1 PHE 160 -6.436 2.028 2.028 755 HD2 PHE 160 HD2 PHE 160 -2.842 3.877 3.877 756 HE1 PHE 160 HE1 PHE 160 -7.685 4.085 4.085 757 HE2 PHE 160 HE2 PHE 160 -4.085 5.939 5.939 758 HZ PHE 160 HZ PHE 160 -6.511 6.045 6.045 759 H SER 161 H SER 161 -2.671 -0.802 -0.802 760 HA SER 161 HA SER 161 0.026 -0.520 -0.520 761 1HB SER 161 2HB SER 161 -0.816 -0.981 -0.981 762 2HB SER 161 1HB SER 161 -1.479 -2.513 -2.513 763 HG SER 161 HG SER 161 0.577 -2.769 -2.769 764 H TYR 162 H TYR 162 1.263 -1.851 -1.851 765 HA TYR 162 HA TYR 162 -0.103 -3.962 -3.962 766 1HB TYR 162 2HB TYR 162 2.508 -2.559 -2.559 767 2HB TYR 162 1HB TYR 162 1.689 -3.734 -3.734 768 HD1 TYR 162 HD1 TYR 162 -0.813 -3.077 -3.077 769 HD2 TYR 162 HD2 TYR 162 2.208 -0.323 -0.323 770 HE1 TYR 162 HE1 TYR 162 -2.055 -1.263 -1.263 771 HE2 TYR 162 HE2 TYR 162 0.977 1.502 1.502 772 HH TYR 162 HH2 TYR 162 -2.026 1.534 1.534 773 H ILE 163 H ILE 163 1.967 -5.503 -5.503 774 HA ILE 163 HA ILE 163 3.760 -6.207 -6.207 775 HB ILE 163 HB ILE 163 2.701 -8.624 -8.624 776 1HG1 ILE 163 1HG1 ILE 163 0.190 -6.964 -6.964 777 2HG1 ILE 163 2HG1 ILE 163 0.837 -7.786 -7.786 778 1HG2 ILE 163 3HG2 ILE 163 2.737 -6.394 -6.394 779 2HG2 ILE 163 2HG2 ILE 163 1.130 -7.104 -7.104 780 3HG2 ILE 163 1HG2 ILE 163 2.559 -8.092 -8.092 781 1HD1 ILE 163 1HD1 ILE 163 0.740 -9.665 -9.665 782 2HD1 ILE 163 3HD1 ILE 163 -0.809 -8.823 -8.823 783 3HD1 ILE 163 2HD1 ILE 163 -0.197 -9.634 -9.634 784 H CYS 164 H CYS 164 5.362 -7.585 -7.585 785 HA CYS 164 HA CYS 164 5.107 -8.808 -8.808 786 1HB CYS 164 1HB CYS 164 7.468 -8.138 -8.138 787 2HB CYS 164 2HB CYS 164 6.355 -6.778 -6.778 788 HG CYS 164 HG CYS 164 7.743 -5.835 -5.835 789 H ARG 165 H ARG 165 6.142 -10.770 -10.770 790 HA ARG 165 HA ARG 165 7.233 -11.921 -11.921 791 1HB ARG 165 2HB ARG 165 6.687 -14.128 -14.128 792 2HB ARG 165 1HB ARG 165 5.333 -13.162 -13.162 793 1HG ARG 165 2HG ARG 165 4.818 -12.420 -12.420 794 2HG ARG 165 1HG ARG 165 6.337 -13.047 -13.047 795 1HD ARG 165 2HD ARG 165 5.297 -15.302 -15.302 796 2HD ARG 165 1HD ARG 165 3.814 -14.444 -14.444 797 HE ARG 165 HE ARG 165 5.433 -14.267 -14.267 798 1HH1 ARG 165 1HH1 ARG 165 4.016 -16.820 -16.820 799 2HH1 ARG 165 2HH1 ARG 165 3.898 -17.922 -17.922 800 1HH2 ARG 165 1HH2 ARG 165 5.282 -15.711 -15.711 801 2HH2 ARG 165 2HH2 ARG 165 4.619 -17.293 -17.293 802 H ASP 166 H ASP 166 9.358 -11.099 -11.099 803 HA ASP 166 HA ASP 166 11.468 -11.101 -11.101 804 1HB ASP 166 1HB ASP 166 12.455 -13.284 -13.284 805 2HB ASP 166 2HB ASP 166 11.239 -13.330 -13.330 806 H GLY 167 H GLY 167 12.666 -12.723 -12.723 807 1HA GLY 167 1HA GLY 167 12.739 -13.132 -13.132 808 2HA GLY 167 2HA GLY 167 11.110 -12.489 -12.489 809 H THR 168 H THR 168 11.041 -10.025 -10.025 810 HA THR 168 HA THR 168 13.118 -8.771 -8.771 811 HB THR 168 HB THR 168 11.142 -6.876 -6.876 812 HG1 THR 168 1HG THR 168 9.834 -8.526 -8.526 813 1HG2 THR 168 1HG2 THR 168 12.153 -8.423 -8.423 814 2HG2 THR 168 3HG2 THR 168 10.394 -8.375 -8.375 815 3HG2 THR 168 2HG2 THR 168 11.314 -6.872 -6.872 816 H THR 169 H THR 169 11.329 -8.336 -8.336 817 HA THR 169 HA THR 169 13.035 -6.127 -6.127 818 HB THR 169 HB THR 169 10.761 -7.508 -7.508 819 HG1 THR 169 1HG THR 169 10.366 -6.145 -6.145 820 1HG2 THR 169 2HG2 THR 169 12.515 -6.344 -6.344 821 2HG2 THR 169 1HG2 THR 169 11.862 -4.853 -4.853 822 3HG2 THR 169 3HG2 THR 169 10.810 -5.946 -5.946 823 H ARG 170 H ARG 170 12.059 -8.658 -8.658 824 HA ARG 170 HA ARG 170 14.727 -9.747 -9.747 825 1HB ARG 170 1HB ARG 170 13.568 -7.908 -7.908 826 2HB ARG 170 2HB ARG 170 14.579 -9.246 -9.246 827 1HG ARG 170 1HG ARG 170 15.429 -7.176 -7.176 828 2HG ARG 170 2HG ARG 170 15.786 -7.097 -7.097 829 1HD ARG 170 2HD ARG 170 16.656 -9.254 -9.254 830 2HD ARG 170 1HD ARG 170 17.680 -8.012 -8.012 831 HE ARG 170 HE ARG 170 16.652 -9.265 -9.265 832 1HH1 ARG 170 1HH1 ARG 170 18.260 -10.407 -10.407 833 2HH1 ARG 170 2HH1 ARG 170 18.959 -11.785 -11.785 834 1HH2 ARG 170 1HH2 ARG 170 17.567 -11.074 -11.074 835 2HH2 ARG 170 2HH2 ARG 170 18.566 -12.164 -12.164 836 H ARG 171 H ARG 171 12.241 -9.524 -9.524 837 HA ARG 171 HA ARG 171 11.533 -12.339 -12.339 838 1HB ARG 171 2HB ARG 171 11.537 -12.801 -12.801 839 2HB ARG 171 1HB ARG 171 13.068 -12.018 -12.018 840 1HG ARG 171 2HG ARG 171 12.477 -10.066 -10.066 841 2HG ARG 171 1HG ARG 171 10.749 -10.398 -10.398 842 1HD ARG 171 1HD ARG 171 11.713 -10.670 -10.670 843 2HD ARG 171 2HD ARG 171 10.864 -12.084 -12.084 844 HE ARG 171 HE ARG 171 13.506 -12.447 -12.447 845 1HH1 ARG 171 2HH2 ARG 171 11.692 -11.998 -11.998 846 2HH1 ARG 171 1HH2 ARG 171 12.788 -12.925 -12.925 847 1HH2 ARG 171 2HH1 ARG 171 14.954 -13.670 -13.670 848 2HH2 ARG 171 1HH1 ARG 171 14.643 -13.876 -13.876 849 H TRP 172 H TRP 172 9.642 -12.220 -12.220 850 HA TRP 172 HA TRP 172 7.388 -11.160 -11.160 851 1HB TRP 172 1HB TRP 172 7.440 -11.751 -11.751 852 2HB TRP 172 2HB TRP 172 6.104 -11.931 -11.931 853 HD1 TRP 172 HD1 TRP 172 8.675 -13.895 -13.895 854 HE1 TRP 172 HE1 TRP 172 8.827 -16.264 -16.264 855 HE3 TRP 172 HE3 TRP 172 5.967 -13.191 -13.191 856 HZ2 TRP 172 2HZ TRP 172 7.926 -17.659 -17.659 857 HZ3 TRP 172 HZ3 TRP 172 5.659 -15.096 -15.096 858 HH2 TRP 172 HH2 TRP 172 6.620 -17.284 -17.284 859 H MET 173 H MET 173 8.440 -9.009 -9.009 860 HA MET 173 HA MET 173 8.541 -7.291 -7.291 861 1HB MET 173 1HB MET 173 9.083 -6.716 -6.716 862 2HB MET 173 2HB MET 173 9.327 -5.572 -5.572 863 1HG MET 173 1HG MET 173 10.675 -8.117 -8.117 864 2HG MET 173 2HG MET 173 11.207 -7.276 -7.276 865 1HE MET 173 2HE MET 173 9.986 -6.366 -6.366 866 2HE MET 173 1HE MET 173 11.096 -5.098 -5.098 867 3HE MET 173 3HE MET 173 9.922 -4.775 -4.775 868 H CYS 174 H CYS 174 6.837 -6.234 -6.234 869 HA CYS 174 HA CYS 174 4.513 -5.888 -5.888 870 1HB CYS 174 2HB CYS 174 5.020 -5.632 -5.632 871 2HB CYS 174 1HB CYS 174 3.607 -4.864 -4.864 872 HG CYS 174 HG CYS 174 2.488 -7.041 -7.041 873 H HIS 175 H HIS 175 3.437 -3.797 -3.797 874 HA HIS 175 HA HIS 175 5.241 -1.512 -1.512 875 1HB HIS 175 2HB HIS 175 3.620 -2.001 -2.001 876 2HB HIS 175 1HB HIS 175 4.766 -0.697 -0.697 877 HD1 HIS 175 HD1 HIS 175 7.312 -1.304 -1.304 878 HD2 HIS 175 HD2 HIS 175 4.715 -4.430 -4.430 879 HE1 HIS 175 HE1 HIS 175 8.714 -3.116 -3.116 880 H GLY 176 H GLY 176 4.111 -0.519 -0.519 881 1HA GLY 176 1HA GLY 176 1.234 -0.089 -0.089 882 2HA GLY 176 2HA GLY 176 2.164 0.246 0.246 883 H PHE 177 H PHE 177 0.338 1.829 1.829 884 HA PHE 177 HA PHE 177 1.835 4.283 4.283 885 1HB PHE 177 1HB PHE 177 1.767 4.905 4.905 886 2HB PHE 177 2HB PHE 177 2.653 3.396 3.396 887 HD1 PHE 177 HD1 PHE 177 0.913 1.268 1.268 888 HD2 PHE 177 HD2 PHE 177 0.477 5.013 5.013 889 HE1 PHE 177 HE1 PHE 177 -0.542 0.212 0.212 890 HE2 PHE 177 HE2 PHE 177 -0.979 3.966 3.966 891 HZ PHE 177 HZ PHE 177 -1.491 1.561 1.561 892 H LEU 178 H LEU 178 0.582 6.143 6.143 893 HA LEU 178 HA LEU 178 -2.324 5.682 5.682 894 1HB LEU 178 1HB LEU 178 -1.764 6.180 6.180 895 2HB LEU 178 2HB LEU 178 -0.730 7.512 7.512 896 HG LEU 178 HG LEU 178 -2.981 8.496 8.496 897 1HD1 LEU 178 1HD2 LEU 178 -3.995 6.175 6.175 898 2HD1 LEU 178 3HD2 LEU 178 -4.253 7.229 7.229 899 3HD1 LEU 178 2HD2 LEU 178 -4.926 7.662 7.662 900 1HD2 LEU 178 2HD1 LEU 178 -1.732 8.581 8.581 901 2HD2 LEU 178 1HD1 LEU 178 -2.141 9.890 9.890 902 3HD2 LEU 178 3HD1 LEU 178 -3.388 9.184 9.184 903 H ALA 179 H ALA 179 -3.458 6.927 6.927 904 HA ALA 179 HA ALA 179 -2.300 8.307 8.307 905 1HB ALA 179 1HB ALA 179 -4.713 7.540 7.540 906 2HB ALA 179 3HB ALA 179 -4.996 9.071 9.071 907 3HB ALA 179 2HB ALA 179 -4.437 9.064 9.064 908 H CYS 180 H CYS 180 -1.720 10.388 10.388 909 HA CYS 180 HA CYS 180 -0.785 12.017 12.017 910 1HB CYS 180 2HB CYS 180 -0.792 12.058 12.058 911 2HB CYS 180 1HB CYS 180 -1.397 13.622 13.622 912 HG CYS 180 HG CYS 180 0.831 14.170 14.170 913 H LYS 181 H LYS 181 -3.559 12.677 12.677 914 HA LYS 181 HA LYS 181 -4.548 14.799 14.799 915 1HB LYS 181 1HB LYS 181 -6.108 13.162 13.162 916 2HB LYS 181 2HB LYS 181 -6.451 14.802 14.802 917 1HG LYS 181 1HG LYS 181 -3.904 14.099 14.099 918 2HG LYS 181 2HG LYS 181 -5.384 14.505 14.505 919 1HD LYS 181 2HD LYS 181 -4.984 16.459 16.459 920 2HD LYS 181 1HD LYS 181 -3.467 16.257 16.257 921 1HE LYS 181 1HE LYS 181 -6.137 16.698 16.698 922 2HE LYS 181 2HE LYS 181 -5.001 17.993 17.993 923 1HZ LYS 181 2HZ LYS 181 -3.343 16.762 16.762 924 2HZ LYS 181 1HZ LYS 181 -4.586 15.726 15.726 925 3HZ LYS 181 3HZ LYS 181 -4.657 17.372 17.372 926 H ASP 182 H ASP 182 -5.124 11.351 11.351 927 HA ASP 182 HA ASP 182 -6.168 9.935 9.935 928 1HB ASP 182 1HB ASP 182 -5.018 11.341 11.341 929 2HB ASP 182 2HB ASP 182 -6.465 12.340 12.340 930 H SER 183 H SER 183 -7.833 10.035 10.035 931 HA SER 183 HA SER 183 -10.413 10.480 10.480 932 1HB SER 183 2HB SER 183 -9.264 12.516 12.516 933 2HB SER 183 1HB SER 183 -10.727 11.855 11.855 934 HG SER 183 HG SER 183 -11.898 12.665 12.665 935 H GLY 184 H GLY 184 -8.738 8.354 8.354 936 1HA GLY 184 2HA GLY 184 -8.937 6.690 6.690 937 2HA GLY 184 1HA GLY 184 -10.609 6.721 6.721 938 H GLU 185 H GLU 185 -9.103 9.394 9.394 939 HA GLU 185 HA GLU 185 -10.540 8.678 8.678 940 1HB GLU 185 2HB GLU 185 -10.820 11.179 11.179 941 2HB GLU 185 1HB GLU 185 -11.072 11.235 11.235 942 1HG GLU 185 2HG GLU 185 -13.131 10.478 10.478 943 2HG GLU 185 1HG GLU 185 -12.536 9.039 9.039 944 H ARG 186 H ARG 186 -7.791 8.396 8.396 945 HA ARG 186 HA ARG 186 -6.779 10.120 10.120 946 1HB ARG 186 2HB ARG 186 -5.609 10.155 10.155 947 2HB ARG 186 1HB ARG 186 -4.766 10.765 10.765 948 1HG ARG 186 2HG ARG 186 -7.429 11.791 11.791 949 2HG ARG 186 1HG ARG 186 -5.873 12.516 12.516 950 1HD ARG 186 2HD ARG 186 -5.753 13.565 13.565 951 2HD ARG 186 1HD ARG 186 -6.121 12.086 12.086 952 HE ARG 186 HE ARG 186 -8.203 12.928 12.928 953 1HH1 ARG 186 2HH1 ARG 186 -6.945 14.264 14.264 954 2HH1 ARG 186 1HH1 ARG 186 -8.343 15.236 15.236 955 1HH2 ARG 186 2HH2 ARG 186 -10.049 14.207 14.207 956 2HH2 ARG 186 1HH2 ARG 186 -10.108 15.204 15.204 957 H LEU 187 H LEU 187 -6.014 7.672 7.672 958 HA LEU 187 HA LEU 187 -4.257 6.351 6.351 959 1HB LEU 187 1HB LEU 187 -4.172 6.506 6.506 960 2HB LEU 187 2HB LEU 187 -3.410 5.167 5.167 961 HG LEU 187 HG LEU 187 -1.942 6.706 6.706 962 1HD1 LEU 187 1HD1 LEU 187 -3.492 8.827 8.827 963 2HD1 LEU 187 3HD1 LEU 187 -1.928 9.114 9.114 964 3HD1 LEU 187 2HD1 LEU 187 -3.312 8.626 8.626 965 1HD2 LEU 187 3HD2 LEU 187 -1.589 5.901 5.901 966 2HD2 LEU 187 2HD2 LEU 187 -0.489 7.067 7.067 967 3HD2 LEU 187 1HD2 LEU 187 -1.759 7.620 7.620 968 H SER 188 H SER 188 -6.675 5.798 5.798 969 HA SER 188 HA SER 188 -6.928 3.038 3.038 970 1HB SER 188 2HB SER 188 -7.969 4.454 4.454 971 2HB SER 188 1HB SER 188 -9.174 4.975 4.975 972 HG SER 188 HG SER 188 -9.692 2.707 2.707 973 H HIS 189 H HIS 189 -9.077 5.490 5.490 974 HA HIS 189 HA HIS 189 -10.385 3.637 3.637 975 1HB HIS 189 1HB HIS 189 -10.939 6.158 6.158 976 2HB HIS 189 2HB HIS 189 -10.316 6.485 6.485 977 HD1 HIS 189 HD1 HIS 189 -13.221 7.113 7.113 978 HD2 HIS 189 HD2 HIS 189 -11.885 3.348 3.348 979 HE1 HIS 189 HE1 HIS 189 -15.182 5.971 5.971 980 H ALA 190 H ALA 190 -7.386 5.307 5.307 981 HA ALA 190 HA ALA 190 -7.264 5.105 5.105 982 1HB ALA 190 1HB ALA 190 -6.026 6.732 6.732 983 2HB ALA 190 3HB ALA 190 -4.741 5.607 5.607 984 3HB ALA 190 2HB ALA 190 -5.563 6.543 6.543 985 H VAL 191 H VAL 191 -5.253 3.751 3.751 986 HA VAL 191 HA VAL 191 -4.010 1.836 1.836 987 HB VAL 191 HB VAL 191 -4.261 1.373 1.373 988 1HG1 VAL 191 2HG2 VAL 191 -2.900 0.078 0.078 989 2HG1 VAL 191 1HG2 VAL 191 -1.677 1.220 1.220 990 3HG1 VAL 191 3HG2 VAL 191 -2.424 0.103 0.103 991 1HG2 VAL 191 2HG1 VAL 191 -3.293 3.808 3.808 992 2HG2 VAL 191 1HG1 VAL 191 -3.460 3.383 3.383 993 3HG2 VAL 191 3HG1 VAL 191 -1.989 2.959 2.959 994 H GLY 192 H GLY 192 -6.935 1.818 1.818 995 1HA GLY 192 1HA GLY 192 -7.462 -0.898 -0.898 996 2HA GLY 192 2HA GLY 192 -8.698 0.338 0.338 997 H CYS 193 H CYS 193 -7.469 1.148 1.148 998 HA CYS 193 HA CYS 193 -8.681 -0.952 -0.952 999 1HB CYS 193 2HB CYS 193 -9.610 1.267 1.267 1000 2HB CYS 193 1HB CYS 193 -8.005 1.936 1.936 1001 HG CYS 193 HG CYS 193 -7.948 0.569 0.569 1002 H ALA 194 H ALA 194 -5.675 0.557 0.557 1003 HA ALA 194 HA ALA 194 -4.116 0.176 0.176 1004 1HB ALA 194 2HB ALA 194 -3.559 0.137 0.137 1005 2HB ALA 194 1HB ALA 194 -2.289 -0.386 -0.386 1006 3HB ALA 194 3HB ALA 194 -2.974 1.232 1.232 1007 H PHE 195 H PHE 195 -5.393 -2.228 -2.228 1008 HA PHE 195 HA PHE 195 -3.682 -4.326 -4.326 1009 1HB PHE 195 1HB PHE 195 -5.928 -4.230 -4.230 1010 2HB PHE 195 2HB PHE 195 -5.275 -5.765 -5.765 1011 HD1 PHE 195 HD1 PHE 195 -4.428 -2.622 -2.622 1012 HD2 PHE 195 HD2 PHE 195 -3.220 -6.593 -6.593 1013 HE1 PHE 195 HE1 PHE 195 -2.608 -2.453 -2.453 1014 HE2 PHE 195 HE2 PHE 195 -1.399 -6.431 -6.431 1015 HZ PHE 195 HZ PHE 195 -1.090 -4.360 -4.360 1016 H ALA 196 H ALA 196 -6.754 -2.957 -2.957 1017 HA ALA 196 HA ALA 196 -8.023 -5.146 -5.146 1018 1HB ALA 196 3HB ALA 196 -8.521 -2.385 -2.385 1019 2HB ALA 196 2HB ALA 196 -8.652 -2.759 -2.759 1020 3HB ALA 196 1HB ALA 196 -9.631 -3.642 -3.642 1021 H VAL 197 H VAL 197 -5.922 -2.641 -2.641 1022 HA VAL 197 HA VAL 197 -5.953 -3.491 -3.491 1023 HB VAL 197 HB VAL 197 -3.710 -2.185 -2.185 1024 1HG1 VAL 197 1HG2 VAL 197 -4.017 -2.761 -2.761 1025 2HG1 VAL 197 3HG2 VAL 197 -3.042 -1.407 -1.407 1026 3HG1 VAL 197 2HG2 VAL 197 -2.631 -3.055 -3.055 1027 1HG2 VAL 197 3HG1 VAL 197 -6.179 -1.221 -1.221 1028 2HG2 VAL 197 2HG1 VAL 197 -5.196 -0.501 -0.501 1029 3HG2 VAL 197 1HG1 VAL 197 -4.731 -0.301 -0.301 1030 H CYS 198 H CYS 198 -3.993 -4.586 -4.586 1031 HA CYS 198 HA CYS 198 -2.176 -6.197 -6.197 1032 1HB CYS 198 1HB CYS 198 -1.853 -5.705 -5.705 1033 2HB CYS 198 2HB CYS 198 -3.367 -6.495 -6.495 1034 HG CYS 198 HG CYS 198 -1.620 -8.553 -8.553 1035 H LEU 199 H LEU 199 -5.339 -7.050 -7.050 1036 HA LEU 199 HA LEU 199 -5.407 -9.371 -9.371 1037 1HB LEU 199 1HB LEU 199 -6.458 -10.699 -10.699 1038 2HB LEU 199 2HB LEU 199 -4.912 -10.102 -10.102 1039 HG LEU 199 HG LEU 199 -7.359 -8.546 -8.546 1040 1HD1 LEU 199 3HD2 LEU 199 -6.524 -11.095 -11.095 1041 2HD1 LEU 199 2HD2 LEU 199 -7.736 -9.954 -9.954 1042 3HD1 LEU 199 1HD2 LEU 199 -8.010 -10.842 -10.842 1043 1HD2 LEU 199 1HD1 LEU 199 -4.849 -8.040 -8.040 1044 2HD2 LEU 199 3HD1 LEU 199 -6.095 -7.760 -7.760 1045 3HD2 LEU 199 2HD1 LEU 199 -5.098 -9.214 -9.214 1046 H GLU 200 H GLU 200 -6.489 -7.235 -7.235 1047 HA GLU 200 HA GLU 200 -8.928 -6.265 -6.265 1048 1HB GLU 200 2HB GLU 200 -7.500 -5.658 -5.658 1049 2HB GLU 200 1HB GLU 200 -8.248 -7.012 -7.012 1050 1HG GLU 200 2HG GLU 200 -10.414 -6.002 -6.002 1051 2HG GLU 200 1HG GLU 200 -9.772 -4.708 -4.708 1052 H ARG 201 H ARG 201 -8.254 -9.456 -9.456 1053 HA ARG 201 HA ARG 201 -11.107 -10.007 -10.007 1054 1HB ARG 201 1HB ARG 201 -8.693 -11.019 -11.019 1055 2HB ARG 201 2HB ARG 201 -9.588 -12.348 -12.348 1056 1HG ARG 201 2HG ARG 201 -11.491 -11.925 -11.925 1057 2HG ARG 201 1HG ARG 201 -10.862 -10.363 -10.363 1058 1HD ARG 201 1HD ARG 201 -10.581 -11.914 -11.914 1059 2HD ARG 201 2HD ARG 201 -8.989 -11.573 -11.573 1060 HE ARG 201 HE ARG 201 -10.198 -13.890 -13.890 1061 1HH1 ARG 201 2HH1 ARG 201 -8.405 -12.714 -12.714 1062 2HH1 ARG 201 1HH1 ARG 201 -7.709 -14.256 -14.256 1063 1HH2 ARG 201 1HH2 ARG 201 -9.287 -15.926 -15.926 1064 2HH2 ARG 201 2HH2 ARG 201 -8.210 -16.083 -16.083 1065 H LYS 202 H LYS 202 -9.977 -9.524 -9.524 1066 HA LYS 202 HA LYS 202 -9.896 -10.406 -10.406 1067 1HB LYS 202 2HB LYS 202 -12.312 -11.313 -11.313 1068 2HB LYS 202 1HB LYS 202 -11.797 -12.461 -12.461 1069 1HG LYS 202 1HG LYS 202 -13.361 -10.836 -10.836 1070 2HG LYS 202 2HG LYS 202 -11.777 -10.689 -10.689 1071 1HD LYS 202 1HD LYS 202 -11.252 -8.751 -8.751 1072 2HD LYS 202 2HD LYS 202 -12.683 -8.969 -8.969 1073 1HE LYS 202 1HE LYS 202 -13.958 -8.775 -8.775 1074 2HE LYS 202 2HE LYS 202 -12.476 -7.990 -7.990 1075 1HZ LYS 202 2HZ LYS 202 -12.754 -6.542 -6.542 1076 2HZ LYS 202 1HZ LYS 202 -14.342 -7.125 -7.125 1077 3HZ LYS 202 3HZ LYS 202 -13.811 -6.262 -6.262 1078 H GLN 203 H GLN 203 -8.033 -11.561 -11.561 1079 HA GLN 203 HA GLN 203 -7.968 -14.391 -14.391 1080 1HB GLN 203 1HB GLN 203 -5.876 -12.352 -12.352 1081 2HB GLN 203 2HB GLN 203 -5.526 -14.074 -14.074 1082 1HG GLN 203 2HG GLN 203 -6.696 -14.539 -14.539 1083 2HG GLN 203 1HG GLN 203 -7.862 -13.244 -13.244 1084 1HE2 GLN 203 2HE2 GLN 203 -4.893 -12.723 -12.723 1085 2HE2 GLN 203 1HE2 GLN 203 -5.389 -14.243 -14.243 1086 H ARG 204 H ARG 204 -8.514 -14.105 -14.105 1087 HA ARG 204 HA ARG 204 -5.981 -14.189 -14.189 1088 1HB ARG 204 2HB ARG 204 -7.761 -12.205 -12.205 1089 2HB ARG 204 1HB ARG 204 -8.442 -13.384 -13.384 1090 1HG ARG 204 1HG ARG 204 -6.991 -12.700 -12.700 1091 2HG ARG 204 2HG ARG 204 -5.696 -13.363 -13.363 1092 1HD ARG 204 1HD ARG 204 -6.712 -10.721 -10.721 1093 2HD ARG 204 2HD ARG 204 -5.860 -10.771 -10.771 1094 HE ARG 204 HE ARG 204 -4.716 -11.045 -11.045 1095 1HH1 ARG 204 1HH2 ARG 204 -4.368 -11.934 -11.934 1096 2HH1 ARG 204 2HH2 ARG 204 -2.656 -12.168 -12.168 1097 1HH2 ARG 204 1HH1 ARG 204 -2.459 -11.349 -11.349 1098 2HH2 ARG 204 2HH1 ARG 204 -1.570 -11.834 -11.834 1099 H ARG 205 H ARG 205 -7.030 -16.467 -16.467 1100 HA ARG 205 HA ARG 205 -7.759 -18.576 -18.576 1101 1HB ARG 205 2HB ARG 205 -5.826 -18.167 -18.167 1102 2HB ARG 205 1HB ARG 205 -7.081 -18.000 -18.000 1103 1HG ARG 205 2HG ARG 205 -7.669 -20.362 -20.362 1104 2HG ARG 205 1HG ARG 205 -5.927 -20.375 -20.375 1105 1HD ARG 205 1HD ARG 205 -8.154 -20.218 -20.218 1106 2HD ARG 205 2HD ARG 205 -6.846 -21.395 -21.395 1107 HE ARG 205 HE ARG 205 -5.776 -18.823 -18.823 1108 1HH1 ARG 205 2HH1 ARG 205 -7.550 -21.323 -21.323 1109 2HH1 ARG 205 1HH1 ARG 205 -6.954 -20.891 -20.891 1110 1HH2 ARG 205 1HH2 ARG 205 -4.984 -18.245 -18.245 1111 2HH2 ARG 205 2HH2 ARG 205 -5.495 -19.141 -19.141 1112 H THR 206 H THR 206 -9.663 -16.307 -16.307 1113 HA THR 206 HA THR 206 -11.580 -17.602 -17.602 1114 HB THR 206 HB THR 206 -11.162 -15.454 -15.454 1115 HG1 THR 206 1HG THR 206 -13.142 -14.572 -14.572 1116 1HG2 THR 206 2HG2 THR 206 -11.391 -14.374 -14.374 1117 2HG2 THR 206 1HG2 THR 206 -11.357 -13.378 -13.378 1118 3HG2 THR 206 3HG2 THR 206 -9.965 -14.378 -14.378 1119 H ARG 207 H ARG 207 -12.800 -18.870 -18.870 1120 HA ARG 207 HA ARG 207 -14.365 -19.471 -19.471 1121 1HB ARG 207 1HB ARG 207 -14.654 -16.547 -16.547 1122 2HB ARG 207 2HB ARG 207 -15.847 -17.823 -17.823 1123 1HG ARG 207 1HG ARG 207 -15.922 -18.048 -18.048 1124 2HG ARG 207 2HG ARG 207 -14.863 -16.641 -16.641 1125 1HD ARG 207 2HD ARG 207 -17.169 -15.965 -15.965 1126 2HD ARG 207 1HD ARG 207 -16.533 -15.311 -15.311 1127 HE ARG 207 HE ARG 207 -17.874 -17.806 -17.806 1128 1HH1 ARG 207 2HH2 ARG 207 -18.347 -14.379 -14.379 1129 2HH1 ARG 207 1HH2 ARG 207 -19.857 -14.361 -14.361 1130 1HH2 ARG 207 2HH1 ARG 207 -19.863 -17.799 -17.799 1131 2HH2 ARG 207 1HH1 ARG 207 -20.720 -16.307 -16.307 1132 H ALA 208 H ALA 208 -14.160 -20.284 -20.284 1133 HA ALA 208 HA ALA 208 -13.327 -20.696 -20.696 1134 1HB ALA 208 3HB ALA 208 -13.273 -17.707 -17.707 1135 2HB ALA 208 2HB ALA 208 -12.611 -18.575 -18.575 1136 3HB ALA 208 1HB ALA 208 -14.305 -18.782 -18.782 1137 H ALA 209 H ALA 209 -11.581 -21.297 -21.297 1138 HA ALA 209 HA ALA 209 -9.074 -21.160 -21.160 1139 1HB ALA 209 3HB ALA 209 -9.438 -18.898 -18.898 1140 2HB ALA 209 2HB ALA 209 -8.847 -19.888 -19.888 1141 3HB ALA 209 1HB ALA 209 -7.859 -19.676 -19.676 1142 H ALA 210 H ALA 210 -10.846 -23.157 -23.157 1143 HA ALA 210 HA ALA 210 -9.336 -24.281 -24.281 1144 1HB ALA 210 2HB ALA 210 -11.871 -24.037 -24.037 1145 2HB ALA 210 1HB ALA 210 -11.912 -25.371 -25.371 1146 3HB ALA 210 3HB ALA 210 -11.201 -25.605 -25.605 1147 1H ALA 1 1HT ALA 1 -14.786 -6.833 -6.833 1148 2H ALA 1 3HT ALA 1 -14.306 -6.126 -6.126 1149 3H ALA 1 2HT ALA 1 -14.983 -5.148 -5.148 1150 HA ALA 1 HA ALA 1 -12.670 -4.817 -4.817 1151 1HB ALA 1 1HB ALA 1 -12.636 -7.597 -7.597 1152 2HB ALA 1 3HB ALA 1 -11.671 -7.317 -7.317 1153 3HB ALA 1 2HB ALA 1 -11.302 -6.445 -6.445 1154 H TYR 2 H TYR 2 -11.101 -5.863 -5.863 1155 HA TYR 2 HA TYR 2 -12.805 -5.754 -5.754 1156 1HB TYR 2 1HB TYR 2 -10.351 -4.394 -4.394 1157 2HB TYR 2 2HB TYR 2 -11.996 -3.781 -3.781 1158 HD1 TYR 2 HD1 TYR 2 -9.619 -4.594 -4.594 1159 HD2 TYR 2 HD2 TYR 2 -12.295 -1.766 -1.766 1160 HE1 TYR 2 HE1 TYR 2 -9.154 -3.041 -3.041 1161 HE2 TYR 2 HE2 TYR 2 -11.837 -0.205 -0.205 1162 HH TYR 2 HH2 TYR 2 -11.029 -0.256 -0.256 1163 H ILE 3 H ILE 3 -9.282 -5.710 -5.710 1164 HA ILE 3 HA ILE 3 -9.158 -8.431 -8.431 1165 HB ILE 3 HB ILE 3 -7.248 -6.301 -6.301 1166 1HG1 ILE 3 2HG1 ILE 3 -9.597 -5.663 -5.663 1167 2HG1 ILE 3 1HG1 ILE 3 -8.578 -5.978 -5.978 1168 1HG2 ILE 3 3HG2 ILE 3 -7.597 -9.133 -9.133 1169 2HG2 ILE 3 2HG2 ILE 3 -7.618 -8.238 -8.238 1170 3HG2 ILE 3 1HG2 ILE 3 -6.244 -8.084 -8.084 1171 1HD1 ILE 3 3HD1 ILE 3 -10.076 -8.296 -8.296 1172 2HD1 ILE 3 2HD1 ILE 3 -11.057 -6.977 -6.977 1173 3HD1 ILE 3 1HD1 ILE 3 -9.816 -7.720 -7.720 1174 H GLY 4 H GLY 4 -7.408 -5.790 -5.790 1175 1HA GLY 4 2HA GLY 4 -5.073 -7.056 -7.056 1176 2HA GLY 4 1HA GLY 4 -5.863 -5.838 -5.838 1177 HA PRO 5 HA PRO 5 -6.748 -8.541 -8.541 1178 1HB PRO 5 2HB PRO 5 -9.654 -8.149 -8.149 1179 2HB PRO 5 1HB PRO 5 -8.787 -8.012 -8.012 1180 1HG PRO 5 1HG PRO 5 -9.513 -5.830 -5.830 1181 2HG PRO 5 2HG PRO 5 -7.943 -5.909 -5.909 1182 1HD PRO 5 2HD PRO 5 -8.575 -6.089 -6.089 1183 2HD PRO 5 1HD PRO 5 -7.150 -5.406 -5.406 1184 1HN PTR 6 H PTR 6 -6.946 -10.701 -10.701 1185 HA PTR 6 HA PTR 6 -7.177 -12.894 -12.894 1186 1HB PTR 6 1HB PTR 6 -9.341 -13.421 -13.421 1187 2HB PTR 6 2HB PTR 6 -9.531 -12.967 -12.967 1188 HD1 PTR 6 HD1 PTR 6 -10.586 -10.817 -10.817 1189 HD2 PTR 6 HD2 PTR 6 -9.714 -11.586 -11.586 1190 HE1 PTR 6 HE1 PTR 6 -12.832 -10.000 -10.000 1191 HE2 PTR 6 HE2 PTR 6 -11.686 -10.256 -10.256 1192 H LEU 7 H LEU 7 -8.826 -11.712 -11.712 1193 HA LEU 7 HA LEU 7 -7.688 -13.359 -13.359 1194 1HB LEU 7 2HB LEU 7 -8.849 -10.637 -10.637 1195 2HB LEU 7 1HB LEU 7 -7.911 -11.121 -11.121 1196 HG LEU 7 HG LEU 7 -9.380 -12.921 -12.921 1197 1HD1 LEU 7 3HD1 LEU 7 -9.663 -13.709 -13.709 1198 2HD1 LEU 7 2HD1 LEU 7 -10.772 -12.371 -12.371 1199 3HD1 LEU 7 1HD1 LEU 7 -11.192 -13.618 -13.618 1200 1HD2 LEU 7 2HD2 LEU 7 -10.491 -10.262 -10.262 1201 2HD2 LEU 7 1HD2 LEU 7 -10.579 -11.280 -11.280 1202 3HD2 LEU 7 3HD2 LEU 7 -11.698 -11.546 -11.546 Start of MODEL 10 1 HA SER 64 HA SER 64 -13.153 12.583 12.583 2 1HB SER 64 2HB SER 64 -13.382 12.917 12.917 3 2HB SER 64 1HB SER 64 -15.003 13.422 13.422 4 HG SER 64 HG SER 64 -15.367 11.347 11.347 5 H LYS 65 H LYS 65 -13.367 14.689 14.689 6 HA LYS 65 HA LYS 65 -16.219 14.822 14.822 7 1HB LYS 65 1HB LYS 65 -16.425 17.150 17.150 8 2HB LYS 65 2HB LYS 65 -15.488 16.807 16.807 9 1HG LYS 65 1HG LYS 65 -13.443 17.436 17.436 10 2HG LYS 65 2HG LYS 65 -14.352 17.725 17.725 11 1HD LYS 65 1HD LYS 65 -15.731 19.374 19.374 12 2HD LYS 65 2HD LYS 65 -14.396 19.273 19.273 13 1HE LYS 65 2HE LYS 65 -12.973 19.731 19.731 14 2HE LYS 65 1HE LYS 65 -14.484 20.472 20.472 15 1HZ LYS 65 2HZ LYS 65 -14.440 21.813 21.813 16 2HZ LYS 65 1HZ LYS 65 -12.919 21.170 21.170 17 3HZ LYS 65 3HZ LYS 65 -13.121 22.121 22.121 18 HA PRO 66 HA PRO 66 -15.402 14.557 14.557 19 1HB PRO 66 2HB PRO 66 -16.343 17.381 17.381 20 2HB PRO 66 1HB PRO 66 -16.786 15.945 15.945 21 1HG PRO 66 1HG PRO 66 -18.424 16.908 16.908 22 2HG PRO 66 2HG PRO 66 -18.220 15.160 15.160 23 1HD PRO 66 2HD PRO 66 -17.185 16.938 16.938 24 2HD PRO 66 1HD PRO 66 -17.648 15.227 15.227 25 H HIS 67 H HIS 67 -14.013 15.333 15.333 26 HA HIS 67 HA HIS 67 -12.148 16.310 16.310 27 1HB HIS 67 1HB HIS 67 -12.152 18.293 18.293 28 2HB HIS 67 2HB HIS 67 -11.499 18.491 18.491 29 HD1 HIS 67 HD1 HIS 67 -13.225 19.029 19.029 30 HD2 HIS 67 HD2 HIS 67 -14.840 18.818 18.818 31 HE1 HIS 67 HE1 HIS 67 -15.538 20.039 20.039 32 H GLN 68 H GLN 68 -11.746 16.845 16.845 33 HA GLN 68 HA GLN 68 -9.057 16.000 16.000 34 1HB GLN 68 1HB GLN 68 -11.121 16.652 16.652 35 2HB GLN 68 2HB GLN 68 -9.766 15.673 15.673 36 1HG GLN 68 1HG GLN 68 -8.572 17.701 17.701 37 2HG GLN 68 2HG GLN 68 -9.895 18.503 18.503 38 1HE2 GLN 68 2HE2 GLN 68 -6.883 16.756 16.756 39 2HE2 GLN 68 1HE2 GLN 68 -7.283 16.178 16.178 40 H TRP 69 H TRP 69 -11.788 14.378 14.378 41 HA TRP 69 HA TRP 69 -10.498 11.926 11.926 42 1HB TRP 69 1HB TRP 69 -12.961 12.987 12.987 43 2HB TRP 69 2HB TRP 69 -13.381 11.672 11.672 44 HD1 TRP 69 HD1 TRP 69 -10.454 11.569 11.569 45 HE1 TRP 69 HE1 TRP 69 -10.886 9.651 9.651 46 HE3 TRP 69 HE3 TRP 69 -15.131 10.199 10.199 47 HZ2 TRP 69 2HZ TRP 69 -12.940 7.801 7.801 48 HZ3 TRP 69 HZ3 TRP 69 -16.261 8.346 8.346 49 HH2 TRP 69 HH2 TRP 69 -15.187 7.172 7.172 50 H GLN 70 H GLN 70 -12.273 13.237 13.237 51 HA GLN 70 HA GLN 70 -12.669 10.869 10.869 52 1HB GLN 70 1HB GLN 70 -13.879 12.815 12.815 53 2HB GLN 70 2HB GLN 70 -12.408 13.761 13.761 54 1HG GLN 70 1HG GLN 70 -12.116 13.117 13.117 55 2HG GLN 70 2HG GLN 70 -12.449 11.428 11.428 56 1HE2 GLN 70 2HE2 GLN 70 -15.150 13.608 13.608 57 2HE2 GLN 70 1HE2 GLN 70 -13.507 14.073 14.073 58 H ALA 71 H ALA 71 -9.839 12.741 12.741 59 HA ALA 71 HA ALA 71 -8.396 11.625 11.625 60 1HB ALA 71 1HB ALA 71 -8.038 13.966 13.966 61 2HB ALA 71 3HB ALA 71 -7.462 13.493 13.493 62 3HB ALA 71 2HB ALA 71 -6.547 13.037 13.037 63 H ASP 72 H ASP 72 -7.745 11.815 11.815 64 HA ASP 72 HA ASP 72 -5.733 9.924 9.924 65 1HB ASP 72 1HB ASP 72 -6.206 9.695 9.695 66 2HB ASP 72 2HB ASP 72 -6.291 11.384 11.384 67 H GLU 73 H GLU 73 -9.179 9.457 9.457 68 HA GLU 73 HA GLU 73 -9.205 6.715 6.715 69 1HB GLU 73 1HB GLU 73 -11.131 8.452 8.452 70 2HB GLU 73 2HB GLU 73 -11.437 6.742 6.742 71 1HG GLU 73 1HG GLU 73 -10.938 8.721 8.721 72 2HG GLU 73 2HG GLU 73 -12.543 8.303 8.303 73 H GLU 74 H GLU 74 -8.777 8.426 8.426 74 HA GLU 74 HA GLU 74 -8.717 5.965 5.965 75 1HB GLU 74 1HB GLU 74 -9.520 8.428 8.428 76 2HB GLU 74 2HB GLU 74 -7.838 8.549 8.549 77 1HG GLU 74 1HG GLU 74 -8.168 7.279 7.279 78 2HG GLU 74 2HG GLU 74 -9.102 6.089 6.089 79 H ALA 75 H ALA 75 -6.527 8.113 8.113 80 HA ALA 75 HA ALA 75 -4.172 7.646 7.646 81 1HB ALA 75 1HB ALA 75 -4.865 8.629 8.629 82 2HB ALA 75 3HB ALA 75 -3.241 7.963 7.963 83 3HB ALA 75 2HB ALA 75 -3.762 9.293 9.293 84 H VAL 76 H VAL 76 -5.286 6.042 6.042 85 HA VAL 76 HA VAL 76 -3.295 4.150 4.150 86 HB VAL 76 HB VAL 76 -5.900 4.562 4.562 87 1HG1 VAL 76 3HG1 VAL 76 -5.251 1.718 1.718 88 2HG1 VAL 76 2HG1 VAL 76 -6.166 2.126 2.126 89 3HG1 VAL 76 1HG1 VAL 76 -6.788 2.572 2.572 90 1HG2 VAL 76 3HG2 VAL 76 -3.398 3.164 3.164 91 2HG2 VAL 76 2HG2 VAL 76 -3.897 4.818 4.818 92 3HG2 VAL 76 1HG2 VAL 76 -4.787 3.461 3.461 93 H ARG 77 H ARG 77 -6.350 3.888 3.888 94 HA ARG 77 HA ARG 77 -6.111 1.306 1.306 95 1HB ARG 77 1HB ARG 77 -7.829 3.409 3.409 96 2HB ARG 77 2HB ARG 77 -7.075 3.204 3.204 97 1HG ARG 77 2HG ARG 77 -7.661 0.636 0.636 98 2HG ARG 77 1HG ARG 77 -8.981 1.488 1.488 99 1HD ARG 77 1HD ARG 77 -9.770 2.400 2.400 100 2HD ARG 77 2HD ARG 77 -8.243 2.130 2.130 101 HE ARG 77 HE ARG 77 -9.359 -0.343 -0.343 102 1HH1 ARG 77 1HH1 ARG 77 -9.834 2.271 2.271 103 2HH1 ARG 77 2HH1 ARG 77 -10.595 1.275 1.275 104 1HH2 ARG 77 2HH2 ARG 77 -10.361 -1.664 -1.664 105 2HH2 ARG 77 1HH2 ARG 77 -10.894 -0.960 -0.960 106 H SER 78 H SER 78 -4.716 4.288 4.288 107 HA SER 78 HA SER 78 -3.291 2.769 2.769 108 1HB SER 78 2HB SER 78 -2.692 4.920 4.920 109 2HB SER 78 1HB SER 78 -4.421 4.914 4.914 110 HG SER 78 HG SER 78 -3.977 6.676 6.676 111 H ALA 79 H ALA 79 -2.712 2.820 2.820 112 HA ALA 79 HA ALA 79 -0.925 2.906 2.906 113 1HB ALA 79 1HB ALA 79 0.417 2.164 2.164 114 2HB ALA 79 3HB ALA 79 1.216 2.112 2.112 115 3HB ALA 79 2HB ALA 79 -0.179 1.079 1.079 116 H THR 80 H THR 80 -1.143 5.184 5.184 117 HA THR 80 HA THR 80 1.243 6.609 6.609 118 HB THR 80 HB THR 80 0.829 6.973 6.973 119 HG1 THR 80 1HG THR 80 1.401 8.921 8.921 120 1HG2 THR 80 2HG2 THR 80 -1.998 7.613 7.613 121 2HG2 THR 80 1HG2 THR 80 -1.296 8.047 8.047 122 3HG2 THR 80 3HG2 THR 80 -1.418 6.351 6.351 123 H CYS 81 H CYS 81 -0.298 6.112 6.112 124 HA CYS 81 HA CYS 81 -1.589 8.695 8.695 125 1HB CYS 81 2HB CYS 81 -2.514 6.006 6.006 126 2HB CYS 81 1HB CYS 81 -2.339 6.776 6.776 127 HG CYS 81 HG CYS 81 -3.921 8.483 8.483 128 H SER 82 H SER 82 -1.603 9.106 9.106 129 HA SER 82 HA SER 82 0.339 8.109 8.109 130 1HB SER 82 2HB SER 82 2.018 9.992 9.992 131 2HB SER 82 1HB SER 82 2.054 8.902 8.902 132 HG SER 82 HG SER 82 1.640 11.540 11.540 133 H PHE 83 H PHE 83 0.452 9.242 9.242 134 HA PHE 83 HA PHE 83 -0.884 11.761 11.761 135 1HB PHE 83 1HB PHE 83 -2.184 9.220 9.220 136 2HB PHE 83 2HB PHE 83 -2.562 10.806 10.806 137 HD1 PHE 83 HD2 PHE 83 -3.087 12.621 12.621 138 HD2 PHE 83 HD1 PHE 83 -3.611 8.413 8.413 139 HE1 PHE 83 HE2 PHE 83 -4.752 12.979 12.979 140 HE2 PHE 83 HE1 PHE 83 -5.277 8.762 8.762 141 HZ PHE 83 HZ PHE 83 -5.849 11.049 11.049 142 H SER 84 H SER 84 -0.232 12.779 12.779 143 HA SER 84 HA SER 84 2.048 12.012 12.012 144 1HB SER 84 2HB SER 84 1.012 14.295 14.295 145 2HB SER 84 1HB SER 84 -0.163 13.685 13.685 146 HG SER 84 HG SER 84 2.494 14.337 14.337 147 H VAL 85 H VAL 85 2.245 11.566 11.566 148 HA VAL 85 HA VAL 85 0.171 10.246 10.246 149 HB VAL 85 HB VAL 85 0.581 8.559 8.559 150 1HG1 VAL 85 2HG2 VAL 85 2.999 8.904 8.904 151 2HG1 VAL 85 1HG2 VAL 85 3.243 8.200 8.200 152 3HG1 VAL 85 3HG2 VAL 85 2.596 7.211 7.211 153 1HG2 VAL 85 1HG1 VAL 85 -0.329 8.026 8.026 154 2HG2 VAL 85 3HG1 VAL 85 0.476 6.680 6.680 155 3HG2 VAL 85 2HG1 VAL 85 1.303 7.560 7.560 156 H LYS 86 H LYS 86 0.900 9.182 9.182 157 HA LYS 86 HA LYS 86 3.479 10.261 10.261 158 1HB LYS 86 2HB LYS 86 0.861 9.834 9.834 159 2HB LYS 86 1HB LYS 86 2.362 9.922 9.922 160 1HG LYS 86 1HG LYS 86 2.580 12.127 12.127 161 2HG LYS 86 2HG LYS 86 0.832 12.038 12.038 162 1HD LYS 86 2HD LYS 86 2.627 11.711 11.711 163 2HD LYS 86 1HD LYS 86 2.328 13.328 13.328 164 1HE LYS 86 2HE LYS 86 0.075 11.446 11.446 165 2HE LYS 86 1HE LYS 86 0.794 12.459 12.459 166 1HZ LYS 86 3HZ LYS 86 0.216 13.998 13.998 167 2HZ LYS 86 2HZ LYS 86 -1.172 13.171 13.171 168 3HZ LYS 86 1HZ LYS 86 -0.359 14.189 14.189 169 H TYR 87 H TYR 87 3.893 8.035 8.035 170 HA TYR 87 HA TYR 87 3.424 5.559 5.559 171 1HB TYR 87 1HB TYR 87 5.071 6.584 6.584 172 2HB TYR 87 2HB TYR 87 6.202 5.836 5.836 173 HD1 TYR 87 HD1 TYR 87 3.302 5.199 5.199 174 HD2 TYR 87 HD2 TYR 87 6.384 3.474 3.474 175 HE1 TYR 87 HE1 TYR 87 2.810 2.995 2.995 176 HE2 TYR 87 HE2 TYR 87 5.899 1.265 1.265 177 HH TYR 87 HH2 TYR 87 4.820 0.194 0.194 178 H LEU 88 H LEU 88 5.292 4.142 4.142 179 HA LEU 88 HA LEU 88 6.613 5.564 5.564 180 1HB LEU 88 1HB LEU 88 5.064 3.015 3.015 181 2HB LEU 88 2HB LEU 88 5.870 3.973 3.973 182 HG LEU 88 HG LEU 88 3.630 5.145 5.145 183 1HD1 LEU 88 3HD1 LEU 88 3.270 2.854 2.854 184 2HD1 LEU 88 2HD1 LEU 88 2.901 4.105 4.105 185 3HD1 LEU 88 1HD1 LEU 88 2.021 4.051 4.051 186 1HD2 LEU 88 3HD2 LEU 88 5.335 6.115 6.115 187 2HD2 LEU 88 2HD2 LEU 88 3.895 6.890 6.890 188 3HD2 LEU 88 1HD2 LEU 88 3.769 5.879 5.879 189 H GLY 89 H GLY 89 6.287 2.527 2.527 190 1HA GLY 89 2HA GLY 89 8.659 1.987 1.987 191 2HA GLY 89 1HA GLY 89 9.024 1.815 1.815 192 H CYS 90 H CYS 90 9.506 -0.346 -0.346 193 HA CYS 90 HA CYS 90 7.207 -2.121 -2.121 194 1HB CYS 90 2HB CYS 90 9.948 -2.993 -2.993 195 2HB CYS 90 1HB CYS 90 8.382 -3.669 -3.669 196 HG CYS 90 HG CYS 90 9.019 -2.391 -2.391 197 H VAL 91 H VAL 91 7.349 -4.132 -4.132 198 HA VAL 91 HA VAL 91 9.354 -4.198 -4.198 199 HB VAL 91 HB VAL 91 7.450 -5.053 -5.053 200 1HG1 VAL 91 1HG1 VAL 91 8.213 -2.324 -2.324 201 2HG1 VAL 91 3HG1 VAL 91 6.657 -2.444 -2.444 202 3HG1 VAL 91 2HG1 VAL 91 8.109 -3.093 -3.093 203 1HG2 VAL 91 3HG2 VAL 91 5.821 -5.280 -5.280 204 2HG2 VAL 91 2HG2 VAL 91 5.226 -4.299 -4.299 205 3HG2 VAL 91 1HG2 VAL 91 5.790 -3.523 -3.523 206 H GLU 92 H GLU 92 10.268 -6.155 -6.155 207 HA GLU 92 HA GLU 92 9.646 -8.295 -8.295 208 1HB GLU 92 2HB GLU 92 11.129 -9.614 -9.614 209 2HB GLU 92 1HB GLU 92 11.851 -8.259 -8.259 210 1HG GLU 92 2HG GLU 92 11.801 -6.891 -6.891 211 2HG GLU 92 1HG GLU 92 10.709 -7.984 -7.984 212 H VAL 93 H VAL 93 8.115 -9.797 -9.797 213 HA VAL 93 HA VAL 93 6.907 -10.404 -10.404 214 HB VAL 93 HB VAL 93 4.739 -10.750 -10.750 215 1HG1 VAL 93 1HG1 VAL 93 5.659 -8.515 -8.515 216 2HG1 VAL 93 3HG1 VAL 93 5.532 -7.947 -7.947 217 3HG1 VAL 93 2HG1 VAL 93 4.104 -8.562 -8.562 218 1HG2 VAL 93 3HG2 VAL 93 6.069 -10.906 -10.906 219 2HG2 VAL 93 2HG2 VAL 93 4.394 -10.357 -10.357 220 3HG2 VAL 93 1HG2 VAL 93 5.704 -9.181 -9.181 221 H PHE 94 H PHE 94 5.760 -12.526 -12.526 222 HA PHE 94 HA PHE 94 7.399 -14.517 -14.517 223 1HB PHE 94 1HB PHE 94 5.314 -14.979 -14.979 224 2HB PHE 94 2HB PHE 94 6.571 -16.095 -16.095 225 HD1 PHE 94 HD2 PHE 94 8.905 -14.268 -14.268 226 HD2 PHE 94 HD1 PHE 94 5.783 -14.667 -14.667 227 HE1 PHE 94 HE2 PHE 94 10.404 -13.402 -13.402 228 HE2 PHE 94 HE1 PHE 94 7.276 -13.802 -13.802 229 HZ PHE 94 HZ PHE 94 9.590 -13.168 -13.168 230 H GLU 95 H GLU 95 5.024 -12.920 -12.920 231 HA GLU 95 HA GLU 95 3.944 -15.121 -15.121 232 1HB GLU 95 1HB GLU 95 2.228 -13.545 -13.545 233 2HB GLU 95 2HB GLU 95 1.549 -14.359 -14.359 234 1HG GLU 95 2HG GLU 95 2.486 -16.490 -16.490 235 2HG GLU 95 1HG GLU 95 3.003 -15.635 -15.635 236 H SER 96 H SER 96 4.110 -14.386 -14.386 237 HA SER 96 HA SER 96 3.771 -11.533 -11.533 238 1HB SER 96 1HB SER 96 4.489 -12.332 -12.332 239 2HB SER 96 2HB SER 96 5.696 -12.287 -12.287 240 HG SER 96 HG SER 96 5.898 -14.366 -14.366 241 H ARG 97 H ARG 97 1.559 -13.523 -13.523 242 HA ARG 97 HA ARG 97 -0.212 -12.606 -12.606 243 1HB ARG 97 2HB ARG 97 0.507 -14.673 -14.673 244 2HB ARG 97 1HB ARG 97 0.293 -15.538 -15.538 245 1HG ARG 97 2HG ARG 97 -1.814 -15.997 -15.997 246 2HG ARG 97 1HG ARG 97 -2.172 -14.291 -14.291 247 1HD ARG 97 2HD ARG 97 -2.659 -15.376 -15.376 248 2HD ARG 97 1HD ARG 97 -1.103 -14.584 -14.584 249 HE ARG 97 HE ARG 97 -0.406 -17.070 -17.070 250 1HH1 ARG 97 1HH1 ARG 97 -2.545 -15.865 -15.865 251 2HH1 ARG 97 2HH1 ARG 97 -2.296 -17.215 -17.215 252 1HH2 ARG 97 2HH2 ARG 97 -0.071 -18.853 -18.853 253 2HH2 ARG 97 1HH2 ARG 97 -0.890 -18.913 -18.913 254 H GLY 98 H GLY 98 -2.150 -12.094 -12.094 255 1HA GLY 98 1HA GLY 98 -4.008 -12.945 -12.945 256 2HA GLY 98 2HA GLY 98 -2.777 -13.104 -13.104 257 H MET 99 H MET 99 -5.315 -11.347 -11.347 258 HA MET 99 HA MET 99 -4.440 -8.667 -8.667 259 1HB MET 99 2HB MET 99 -6.812 -9.775 -9.775 260 2HB MET 99 1HB MET 99 -7.027 -9.431 -9.431 261 1HG MET 99 1HG MET 99 -5.944 -7.138 -7.138 262 2HG MET 99 2HG MET 99 -7.399 -7.696 -7.696 263 1HE MET 99 2HE MET 99 -5.835 -6.395 -6.395 264 2HE MET 99 1HE MET 99 -6.353 -5.109 -5.109 265 3HE MET 99 3HE MET 99 -7.144 -5.311 -5.311 266 H GLN 100 H GLN 100 -5.016 -11.018 -11.018 267 HA GLN 100 HA GLN 100 -5.132 -9.310 -9.310 268 1HB GLN 100 2HB GLN 100 -4.718 -12.154 -12.154 269 2HB GLN 100 1HB GLN 100 -3.809 -11.576 -11.576 270 1HG GLN 100 2HG GLN 100 -5.642 -11.681 -11.681 271 2HG GLN 100 1HG GLN 100 -6.391 -10.466 -10.466 272 1HE2 GLN 100 1HE2 GLN 100 -8.799 -13.053 -13.053 273 2HE2 GLN 100 2HE2 GLN 100 -8.329 -11.693 -11.693 274 H VAL 101 H VAL 101 -2.335 -10.791 -10.791 275 HA VAL 101 HA VAL 101 -0.374 -9.896 -9.896 276 HB VAL 101 HB VAL 101 -0.056 -10.389 -10.389 277 1HG1 VAL 101 2HG1 VAL 101 1.782 -9.123 -9.123 278 2HG1 VAL 101 1HG1 VAL 101 2.023 -10.520 -10.520 279 3HG1 VAL 101 3HG1 VAL 101 2.277 -10.671 -10.671 280 1HG2 VAL 101 2HG2 VAL 101 -1.015 -12.242 -12.242 281 2HG2 VAL 101 1HG2 VAL 101 0.262 -12.634 -12.634 282 3HG2 VAL 101 3HG2 VAL 101 0.655 -12.373 -12.373 283 H CYS 102 H CYS 102 -2.050 -8.297 -8.297 284 HA CYS 102 HA CYS 102 -0.233 -6.147 -6.147 285 1HB CYS 102 2HB CYS 102 -3.136 -6.554 -6.554 286 2HB CYS 102 1HB CYS 102 -2.331 -5.017 -5.017 287 HG CYS 102 HG CYS 102 -0.909 -6.096 -6.096 288 H GLU 103 H GLU 103 -3.242 -6.472 -6.472 289 HA GLU 103 HA GLU 103 -3.442 -3.904 -3.904 290 1HB GLU 103 1HB GLU 103 -4.300 -6.587 -6.587 291 2HB GLU 103 2HB GLU 103 -4.391 -5.240 -5.240 292 1HG GLU 103 1HG GLU 103 -6.050 -4.197 -4.197 293 2HG GLU 103 2HG GLU 103 -5.546 -4.873 -4.873 294 H GLU 104 H GLU 104 -1.913 -6.669 -6.669 295 HA GLU 104 HA GLU 104 -0.805 -5.140 -5.140 296 1HB GLU 104 1HB GLU 104 0.772 -7.164 -7.164 297 2HB GLU 104 2HB GLU 104 -0.951 -7.441 -7.441 298 1HG GLU 104 2HG GLU 104 -1.126 -8.689 -8.689 299 2HG GLU 104 1HG GLU 104 0.088 -7.756 -7.756 300 H ALA 105 H ALA 105 0.307 -5.867 -5.867 301 HA ALA 105 HA ALA 105 3.022 -5.206 -5.206 302 1HB ALA 105 1HB ALA 105 1.176 -5.614 -5.614 303 2HB ALA 105 3HB ALA 105 2.530 -4.537 -4.537 304 3HB ALA 105 2HB ALA 105 2.832 -6.177 -6.177 305 H LEU 106 H LEU 106 0.366 -3.221 -3.221 306 HA LEU 106 HA LEU 106 1.734 -0.847 -0.847 307 1HB LEU 106 1HB LEU 106 -0.867 -1.641 -1.641 308 2HB LEU 106 2HB LEU 106 -0.979 -0.536 -0.536 309 HG LEU 106 HG LEU 106 0.268 0.187 0.187 310 1HD1 LEU 106 3HD2 LEU 106 -2.213 -0.385 -0.385 311 2HD1 LEU 106 2HD2 LEU 106 -2.444 1.041 1.041 312 3HD1 LEU 106 1HD2 LEU 106 -1.742 1.205 1.205 313 1HD2 LEU 106 2HD1 LEU 106 0.549 1.390 1.390 314 2HD2 LEU 106 1HD1 LEU 106 0.736 2.187 2.187 315 3HD2 LEU 106 3HD1 LEU 106 -0.803 2.276 2.276 316 H LYS 107 H LYS 107 0.129 -2.086 -2.086 317 HA LYS 107 HA LYS 107 0.495 0.102 0.102 318 1HB LYS 107 2HB LYS 107 -0.910 -1.664 -1.664 319 2HB LYS 107 1HB LYS 107 0.356 -2.864 -2.864 320 1HG LYS 107 2HG LYS 107 0.844 -0.682 -0.682 321 2HG LYS 107 1HG LYS 107 -0.320 -1.937 -1.937 322 1HD LYS 107 2HD LYS 107 2.304 -2.786 -2.786 323 2HD LYS 107 1HD LYS 107 2.264 -2.178 -2.178 324 1HE LYS 107 1HE LYS 107 0.301 -4.252 -4.252 325 2HE LYS 107 2HE LYS 107 1.945 -4.719 -4.719 326 1HZ LYS 107 3HZ LYS 107 1.346 -3.221 -3.221 327 2HZ LYS 107 2HZ LYS 107 -0.216 -3.739 -3.739 328 3HZ LYS 107 1HZ LYS 107 0.991 -4.874 -4.874 329 H VAL 108 H VAL 108 2.662 -2.552 -2.552 330 HA VAL 108 HA VAL 108 4.680 -1.982 -1.982 331 HB VAL 108 HB VAL 108 5.129 -3.220 -3.220 332 1HG1 VAL 108 2HG1 VAL 108 6.552 -3.363 -3.363 333 2HG1 VAL 108 1HG1 VAL 108 6.830 -4.524 -4.524 334 3HG1 VAL 108 3HG1 VAL 108 7.186 -2.815 -2.815 335 1HG2 VAL 108 1HG2 VAL 108 3.452 -4.131 -4.131 336 2HG2 VAL 108 3HG2 VAL 108 3.726 -4.850 -4.850 337 3HG2 VAL 108 2HG2 VAL 108 4.799 -5.243 -5.243 338 H LEU 109 H LEU 109 4.228 -0.915 -0.915 339 HA LEU 109 HA LEU 109 6.638 0.360 0.360 340 1HB LEU 109 1HB LEU 109 3.864 0.865 0.865 341 2HB LEU 109 2HB LEU 109 5.131 2.011 2.011 342 HG LEU 109 HG LEU 109 5.010 0.558 0.558 343 1HD1 LEU 109 1HD2 LEU 109 7.311 0.978 0.978 344 2HD1 LEU 109 3HD2 LEU 109 7.227 -0.679 -0.679 345 3HD1 LEU 109 2HD2 LEU 109 7.163 -0.365 -0.365 346 1HD2 LEU 109 2HD1 LEU 109 3.657 -1.180 -1.180 347 2HD2 LEU 109 1HD1 LEU 109 4.997 -1.858 -1.858 348 3HD2 LEU 109 3HD1 LEU 109 5.096 -1.767 -1.767 349 H ARG 110 H ARG 110 4.071 1.274 1.274 350 HA ARG 110 HA ARG 110 5.067 3.997 3.997 351 1HB ARG 110 2HB ARG 110 2.601 3.415 3.415 352 2HB ARG 110 1HB ARG 110 2.824 2.694 2.694 353 1HG ARG 110 1HG ARG 110 3.941 5.276 5.276 354 2HG ARG 110 2HG ARG 110 2.382 5.425 5.425 355 1HD ARG 110 1HD ARG 110 1.508 3.930 3.930 356 2HD ARG 110 2HD ARG 110 2.991 4.404 4.404 357 HE ARG 110 HE ARG 110 0.666 5.997 5.997 358 1HH1 ARG 110 1HH1 ARG 110 4.139 6.145 6.145 359 2HH1 ARG 110 2HH1 ARG 110 4.168 7.784 7.784 360 1HH2 ARG 110 1HH2 ARG 110 0.691 8.157 8.157 361 2HH2 ARG 110 2HH2 ARG 110 2.208 8.928 8.928 362 H GLN 111 H GLN 111 4.438 1.225 1.225 363 HA GLN 111 HA GLN 111 5.631 2.318 2.318 364 1HB GLN 111 2HB GLN 111 5.612 0.069 0.069 365 2HB GLN 111 1HB GLN 111 4.127 0.354 0.354 366 1HG GLN 111 2HG GLN 111 4.508 -1.463 -1.463 367 2HG GLN 111 1HG GLN 111 5.986 -0.734 -0.734 368 1HE2 GLN 111 2HE2 GLN 111 6.553 -4.018 -4.018 369 2HE2 GLN 111 1HE2 GLN 111 5.352 -3.523 -3.523 370 H SER 112 H SER 112 7.025 0.639 0.639 371 HA SER 112 HA SER 112 9.583 0.277 0.277 372 1HB SER 112 1HB SER 112 8.272 -0.789 -0.789 373 2HB SER 112 2HB SER 112 9.790 -0.076 -0.076 374 HG SER 112 HG SER 112 9.358 -2.342 -2.342 375 H ARG 113 H ARG 113 11.575 0.988 0.988 376 HA ARG 113 HA ARG 113 11.796 3.755 3.755 377 1HB ARG 113 2HB ARG 113 13.895 3.454 3.454 378 2HB ARG 113 1HB ARG 113 13.756 2.335 2.335 379 1HG ARG 113 2HG ARG 113 14.061 0.627 0.627 380 2HG ARG 113 1HG ARG 113 12.633 1.095 1.095 381 1HD ARG 113 1HD ARG 113 13.847 2.105 2.105 382 2HD ARG 113 2HD ARG 113 15.080 2.669 2.669 383 HE ARG 113 HE ARG 113 15.180 0.318 0.318 384 1HH1 ARG 113 1HH1 ARG 113 16.037 1.571 1.571 385 2HH1 ARG 113 2HH1 ARG 113 17.358 0.472 0.472 386 1HH2 ARG 113 1HH2 ARG 113 16.918 -1.135 -1.135 387 2HH2 ARG 113 2HH2 ARG 113 17.859 -1.067 -1.067 388 H ARG 114 H ARG 114 10.491 1.722 1.722 389 HA ARG 114 HA ARG 114 10.806 3.060 3.060 390 1HB ARG 114 2HB ARG 114 8.349 1.729 1.729 391 2HB ARG 114 1HB ARG 114 8.429 2.309 2.309 392 1HG ARG 114 2HG ARG 114 10.480 0.405 0.405 393 2HG ARG 114 1HG ARG 114 8.921 -0.173 -0.173 394 1HD ARG 114 1HD ARG 114 9.572 0.043 0.043 395 2HD ARG 114 2HD ARG 114 10.092 1.706 1.706 396 HE ARG 114 HE ARG 114 11.945 -0.238 -0.238 397 1HH1 ARG 114 1HH1 ARG 114 10.927 1.534 1.534 398 2HH1 ARG 114 2HH1 ARG 114 12.466 1.416 1.416 399 1HH2 ARG 114 1HH2 ARG 114 13.974 -0.397 -0.397 400 2HH2 ARG 114 2HH2 ARG 114 14.199 0.319 0.319 401 H ARG 115 H ARG 115 10.859 5.243 5.243 402 HA ARG 115 HA ARG 115 8.775 6.812 6.812 403 1HB ARG 115 1HB ARG 115 10.135 8.750 8.750 404 2HB ARG 115 2HB ARG 115 11.116 7.530 7.530 405 1HG ARG 115 2HG ARG 115 11.451 6.859 6.859 406 2HG ARG 115 1HG ARG 115 11.298 8.615 8.615 407 1HD ARG 115 2HD ARG 115 13.010 7.764 7.764 408 2HD ARG 115 1HD ARG 115 13.588 7.201 7.201 409 HE ARG 115 HE ARG 115 13.643 9.872 9.872 410 1HH1 ARG 115 1HH1 ARG 115 13.281 7.973 7.973 411 2HH1 ARG 115 2HH1 ARG 115 13.874 9.220 9.220 412 1HH2 ARG 115 1HH2 ARG 115 14.426 11.521 11.521 413 2HH2 ARG 115 2HH2 ARG 115 14.525 11.236 11.236 414 HA PRO 116 HA PRO 116 6.273 7.266 7.266 415 1HB PRO 116 2HB PRO 116 5.728 10.006 10.006 416 2HB PRO 116 1HB PRO 116 4.606 8.685 8.685 417 1HG PRO 116 1HG PRO 116 5.171 9.418 9.418 418 2HG PRO 116 2HG PRO 116 4.913 7.717 7.717 419 1HD PRO 116 1HD PRO 116 7.472 9.177 9.177 420 2HD PRO 116 2HD PRO 116 7.001 7.526 7.526 421 H VAL 117 H VAL 117 6.247 8.272 8.272 422 HA VAL 117 HA VAL 117 8.487 10.116 10.116 423 HB VAL 117 HB VAL 117 8.510 7.735 7.735 424 1HG1 VAL 117 3HG2 VAL 117 6.110 7.944 7.944 425 2HG1 VAL 117 2HG2 VAL 117 6.740 8.964 8.964 426 3HG1 VAL 117 1HG2 VAL 117 7.279 7.292 7.292 427 1HG2 VAL 117 1HG1 VAL 117 9.665 10.070 10.070 428 2HG2 VAL 117 3HG1 VAL 117 10.023 8.492 8.492 429 3HG2 VAL 117 2HG1 VAL 117 8.871 9.567 9.567 430 H ARG 118 H ARG 118 8.024 11.288 11.288 431 HA ARG 118 HA ARG 118 5.227 12.053 12.053 432 1HB ARG 118 2HB ARG 118 6.496 13.570 13.570 433 2HB ARG 118 1HB ARG 118 7.296 14.220 14.220 434 1HG ARG 118 2HG ARG 118 5.582 15.563 15.563 435 2HG ARG 118 1HG ARG 118 4.499 14.175 14.175 436 1HD ARG 118 1HD ARG 118 3.659 15.618 15.618 437 2HD ARG 118 2HD ARG 118 4.323 14.179 14.179 438 HE ARG 118 HE ARG 118 5.831 15.516 15.516 439 1HH1 ARG 118 1HH1 ARG 118 4.592 17.223 17.223 440 2HH1 ARG 118 2HH1 ARG 118 5.407 18.702 18.702 441 1HH2 ARG 118 1HH2 ARG 118 6.908 17.460 17.460 442 2HH2 ARG 118 2HH2 ARG 118 6.724 18.838 18.838 443 H GLY 119 H GLY 119 5.712 10.773 10.773 444 1HA GLY 119 2HA GLY 119 6.982 12.495 12.495 445 2HA GLY 119 1HA GLY 119 7.247 10.761 10.761 446 H LEU 120 H LEU 120 6.440 10.314 10.314 447 HA LEU 120 HA LEU 120 3.561 10.823 10.823 448 1HB LEU 120 1HB LEU 120 5.778 11.561 11.561 449 2HB LEU 120 2HB LEU 120 4.911 10.310 10.310 450 HG LEU 120 HG LEU 120 3.891 13.004 13.004 451 1HD1 LEU 120 3HD1 LEU 120 5.173 12.375 12.375 452 2HD1 LEU 120 2HD1 LEU 120 3.549 11.881 11.881 453 3HD1 LEU 120 1HD1 LEU 120 3.851 13.541 13.541 454 1HD2 LEU 120 2HD2 LEU 120 2.393 10.637 10.637 455 2HD2 LEU 120 1HD2 LEU 120 1.795 12.293 12.293 456 3HD2 LEU 120 3HD2 LEU 120 1.966 11.479 11.479 457 H LEU 121 H LEU 121 2.291 9.084 9.084 458 HA LEU 121 HA LEU 121 3.523 6.459 6.459 459 1HB LEU 121 1HB LEU 121 1.602 6.789 6.789 460 2HB LEU 121 2HB LEU 121 0.626 7.309 7.309 461 HG LEU 121 HG LEU 121 0.725 5.085 5.085 462 1HD1 LEU 121 1HD1 LEU 121 2.424 4.382 4.382 463 2HD1 LEU 121 3HD1 LEU 121 1.769 3.229 3.229 464 3HD1 LEU 121 2HD1 LEU 121 2.947 4.434 4.434 465 1HD2 LEU 121 3HD2 LEU 121 -0.297 5.552 5.552 466 2HD2 LEU 121 2HD2 LEU 121 -1.136 5.019 5.019 467 3HD2 LEU 121 1HD2 LEU 121 -0.198 3.865 3.865 468 H HIS 122 H HIS 122 4.358 6.080 6.080 469 HA HIS 122 HA HIS 122 3.130 6.948 6.948 470 1HB HIS 122 2HB HIS 122 5.468 5.174 5.174 471 2HB HIS 122 1HB HIS 122 4.898 5.337 5.337 472 HD1 HIS 122 HD1 HIS 122 5.027 7.832 7.832 473 HD2 HIS 122 HD2 HIS 122 7.056 7.186 7.186 474 HE1 HIS 122 HE1 HIS 122 6.628 9.771 9.771 475 H VAL 123 H VAL 123 1.043 6.067 6.067 476 HA VAL 123 HA VAL 123 0.851 3.145 3.145 477 HB VAL 123 HB VAL 123 -1.345 5.192 5.192 478 1HG1 VAL 123 3HG1 VAL 123 -1.536 2.672 2.672 479 2HG1 VAL 123 2HG1 VAL 123 -2.032 2.427 2.427 480 3HG1 VAL 123 1HG1 VAL 123 -2.858 3.623 3.623 481 1HG2 VAL 123 2HG2 VAL 123 0.389 3.958 3.958 482 2HG2 VAL 123 1HG2 VAL 123 -0.980 5.029 5.029 483 3HG2 VAL 123 3HG2 VAL 123 -1.226 3.285 3.285 484 H SER 124 H SER 124 1.043 2.441 2.441 485 HA SER 124 HA SER 124 -0.316 3.965 3.965 486 1HB SER 124 1HB SER 124 2.085 2.407 2.407 487 2HB SER 124 2HB SER 124 1.513 3.965 3.965 488 HG SER 124 HG SER 124 3.372 4.304 4.304 489 H GLY 125 H GLY 125 -1.555 1.888 1.888 490 1HA GLY 125 2HA GLY 125 -2.572 -0.159 -0.159 491 2HA GLY 125 1HA GLY 125 -2.600 0.329 0.329 492 H ASP 126 H ASP 126 0.438 -0.132 -0.132 493 HA ASP 126 HA ASP 126 0.812 -2.868 -2.868 494 1HB ASP 126 1HB ASP 126 1.295 -0.982 -0.982 495 2HB ASP 126 2HB ASP 126 2.635 -2.078 -2.078 496 H GLY 127 H GLY 127 1.474 -0.731 -0.731 497 1HA GLY 127 2HA GLY 127 3.705 -1.677 -1.677 498 2HA GLY 127 1HA GLY 127 4.374 -0.608 -0.608 499 H LEU 128 H LEU 128 3.661 -0.821 -0.821 500 HA LEU 128 HA LEU 128 2.971 2.024 2.024 501 1HB LEU 128 1HB LEU 128 3.029 0.284 0.284 502 2HB LEU 128 2HB LEU 128 1.906 1.556 1.556 503 HG LEU 128 HG LEU 128 1.828 -1.056 -1.056 504 1HD1 LEU 128 2HD1 LEU 128 1.429 -0.758 -0.758 505 2HD1 LEU 128 1HD1 LEU 128 -0.122 -1.087 -1.087 506 3HD1 LEU 128 3HD1 LEU 128 1.231 -2.196 -2.196 507 1HD2 LEU 128 2HD2 LEU 128 -0.053 1.207 1.207 508 2HD2 LEU 128 1HD2 LEU 128 0.436 0.518 0.518 509 3HD2 LEU 128 3HD2 LEU 128 -0.652 -0.378 -0.378 510 H ARG 129 H ARG 129 4.738 3.255 3.255 511 HA ARG 129 HA ARG 129 6.931 2.296 2.296 512 1HB ARG 129 1HB ARG 129 7.446 4.194 4.194 513 2HB ARG 129 2HB ARG 129 8.549 3.069 3.069 514 1HG ARG 129 1HG ARG 129 7.470 1.199 1.199 515 2HG ARG 129 2HG ARG 129 6.285 2.287 2.287 516 1HD ARG 129 2HD ARG 129 9.261 2.416 2.416 517 2HD ARG 129 1HD ARG 129 8.107 1.637 1.637 518 HE ARG 129 HE ARG 129 8.578 4.463 4.463 519 1HH1 ARG 129 1HH1 ARG 129 6.333 2.009 2.009 520 2HH1 ARG 129 2HH1 ARG 129 5.480 3.060 3.060 521 1HH2 ARG 129 2HH2 ARG 129 7.461 5.857 5.857 522 2HH2 ARG 129 1HH2 ARG 129 6.121 5.247 5.247 523 H VAL 130 H VAL 130 6.742 3.429 3.429 524 HA VAL 130 HA VAL 130 5.875 6.199 6.199 525 HB VAL 130 HB VAL 130 5.027 4.719 4.719 526 1HG1 VAL 130 1HG2 VAL 130 7.506 3.644 3.644 527 2HG1 VAL 130 3HG2 VAL 130 7.553 4.683 4.683 528 3HG1 VAL 130 2HG2 VAL 130 6.302 3.450 3.450 529 1HG2 VAL 130 3HG1 VAL 130 5.845 7.291 7.291 530 2HG2 VAL 130 2HG1 VAL 130 4.929 6.390 6.390 531 3HG2 VAL 130 1HG1 VAL 130 6.684 6.510 6.510 532 H VAL 131 H VAL 131 7.315 7.731 7.731 533 HA VAL 131 HA VAL 131 10.065 7.417 7.417 534 HB VAL 131 HB VAL 131 9.146 8.965 8.965 535 1HG1 VAL 131 3HG1 VAL 131 11.534 9.145 9.145 536 2HG1 VAL 131 2HG1 VAL 131 11.922 8.617 8.617 537 3HG1 VAL 131 1HG1 VAL 131 11.034 10.119 10.119 538 1HG2 VAL 131 2HG2 VAL 131 10.589 6.343 6.343 539 2HG2 VAL 131 1HG2 VAL 131 9.061 6.658 6.658 540 3HG2 VAL 131 3HG2 VAL 131 10.570 7.269 7.269 541 H ASP 132 H ASP 132 10.579 8.759 8.759 542 HA ASP 132 HA ASP 132 8.953 10.757 10.757 543 1HB ASP 132 2HB ASP 132 10.749 9.769 9.769 544 2HB ASP 132 1HB ASP 132 11.956 10.462 10.462 545 H ASP 133 H ASP 133 8.948 12.999 12.999 546 HA ASP 133 HA ASP 133 9.957 14.076 14.076 547 1HB ASP 133 1HB ASP 133 7.766 14.766 14.766 548 2HB ASP 133 2HB ASP 133 8.535 16.117 16.117 549 H GLU 134 H GLU 134 11.593 13.577 13.577 550 HA GLU 134 HA GLU 134 12.725 16.289 16.289 551 1HB GLU 134 1HB GLU 134 11.516 15.444 15.444 552 2HB GLU 134 2HB GLU 134 12.830 14.286 14.286 553 1HG GLU 134 1HG GLU 134 13.062 16.363 16.363 554 2HG GLU 134 2HG GLU 134 14.427 16.000 16.000 555 H THR 135 H THR 135 13.337 12.815 12.815 556 HA THR 135 HA THR 135 16.163 13.323 13.323 557 HB THR 135 HB THR 135 16.537 10.987 10.987 558 HG1 THR 135 1HG THR 135 14.879 9.835 9.835 559 1HG2 THR 135 2HG2 THR 135 16.834 13.037 13.037 560 2HG2 THR 135 1HG2 THR 135 15.245 12.680 12.680 561 3HG2 THR 135 3HG2 THR 135 16.559 11.517 11.517 562 H LYS 136 H LYS 136 13.226 11.834 11.834 563 HA LYS 136 HA LYS 136 12.623 10.877 10.877 564 1HB LYS 136 2HB LYS 136 15.073 12.317 12.317 565 2HB LYS 136 1HB LYS 136 14.859 10.892 10.892 566 1HG LYS 136 1HG LYS 136 13.881 12.764 12.764 567 2HG LYS 136 2HG LYS 136 12.583 11.699 11.699 568 1HD LYS 136 2HD LYS 136 11.790 13.204 13.204 569 2HD LYS 136 1HD LYS 136 13.393 13.839 13.839 570 1HE LYS 136 1HE LYS 136 12.749 14.449 14.449 571 2HE LYS 136 2HE LYS 136 11.416 14.956 14.956 572 1HZ LYS 136 2HZ LYS 136 13.389 15.917 15.917 573 2HZ LYS 136 1HZ LYS 136 14.176 15.921 15.921 574 3HZ LYS 136 3HZ LYS 136 12.736 16.785 16.785 575 H GLY 137 H GLY 137 14.036 9.439 9.439 576 1HA GLY 137 1HA GLY 137 15.502 7.331 7.331 577 2HA GLY 137 2HA GLY 137 15.157 7.429 7.429 578 H LEU 138 H LEU 138 14.628 5.598 5.598 579 HA LEU 138 HA LEU 138 11.864 5.076 5.076 580 1HB LEU 138 1HB LEU 138 13.409 4.386 4.386 581 2HB LEU 138 2HB LEU 138 14.128 3.211 3.211 582 HG LEU 138 HG LEU 138 12.150 1.886 1.886 583 1HD1 LEU 138 3HD1 LEU 138 10.852 4.239 4.239 584 2HD1 LEU 138 2HD1 LEU 138 10.133 2.628 2.628 585 3HD1 LEU 138 1HD1 LEU 138 10.422 3.481 3.481 586 1HD2 LEU 138 2HD2 LEU 138 12.872 2.875 2.875 587 2HD2 LEU 138 1HD2 LEU 138 13.413 1.409 1.409 588 3HD2 LEU 138 3HD2 LEU 138 11.746 1.544 1.544 589 H ILE 139 H ILE 139 10.670 4.253 4.253 590 HA ILE 139 HA ILE 139 11.940 2.727 2.727 591 HB ILE 139 HB ILE 139 9.027 3.415 3.415 592 1HG1 ILE 139 2HG1 ILE 139 11.284 5.275 5.275 593 2HG1 ILE 139 1HG1 ILE 139 10.183 5.499 5.499 594 1HG2 ILE 139 3HG2 ILE 139 10.966 2.415 2.415 595 2HG2 ILE 139 2HG2 ILE 139 10.084 3.812 3.812 596 3HG2 ILE 139 1HG2 ILE 139 9.204 2.388 2.388 597 1HD1 ILE 139 2HD1 ILE 139 8.890 5.184 5.184 598 2HD1 ILE 139 1HD1 ILE 139 9.869 6.638 6.638 599 3HD1 ILE 139 3HD1 ILE 139 8.548 6.306 6.306 600 H VAL 140 H VAL 140 9.166 2.411 2.411 601 HA VAL 140 HA VAL 140 9.377 -0.510 -0.510 602 HB VAL 140 HB VAL 140 6.841 0.939 0.939 603 1HG1 VAL 140 3HG1 VAL 140 7.652 -1.850 -1.850 604 2HG1 VAL 140 2HG1 VAL 140 6.173 -1.432 -1.432 605 3HG1 VAL 140 1HG1 VAL 140 6.284 -1.158 -1.158 606 1HG2 VAL 140 1HG2 VAL 140 8.099 0.908 0.908 607 2HG2 VAL 140 3HG2 VAL 140 6.498 1.516 1.516 608 3HG2 VAL 140 2HG2 VAL 140 6.699 -0.161 -0.161 609 H ASP 141 H ASP 141 9.960 -1.557 -1.557 610 HA ASP 141 HA ASP 141 9.481 -0.252 -0.252 611 1HB ASP 141 1HB ASP 141 11.478 -1.707 -1.707 612 2HB ASP 141 2HB ASP 141 11.813 -0.294 -0.294 613 H GLN 142 H GLN 142 7.345 -1.473 -1.473 614 HA GLN 142 HA GLN 142 7.586 -4.247 -4.247 615 1HB GLN 142 2HB GLN 142 5.830 -2.942 -2.942 616 2HB GLN 142 1HB GLN 142 4.971 -3.958 -3.958 617 1HG GLN 142 1HG GLN 142 5.427 -5.582 -5.582 618 2HG GLN 142 2HG GLN 142 7.001 -5.600 -5.600 619 1HE2 GLN 142 1HE2 GLN 142 8.750 -4.212 -4.212 620 2HE2 GLN 142 2HE2 GLN 142 8.748 -4.502 -4.502 621 H THR 143 H THR 143 5.740 -4.962 -4.962 622 HA THR 143 HA THR 143 5.099 -2.801 -2.801 623 HB THR 143 HB THR 143 6.617 -4.740 -4.740 624 HG1 THR 143 1HG THR 143 4.322 -4.105 -4.105 625 1HG2 THR 143 1HG2 THR 143 5.166 -6.547 -6.547 626 2HG2 THR 143 3HG2 THR 143 3.998 -6.140 -6.140 627 3HG2 THR 143 2HG2 THR 143 5.602 -6.717 -6.717 628 H ILE 144 H ILE 144 3.648 -4.406 -4.406 629 HA ILE 144 HA ILE 144 1.497 -4.671 -4.671 630 HB ILE 144 HB ILE 144 1.286 -2.555 -2.555 631 1HG1 ILE 144 1HG1 ILE 144 -1.044 -4.177 -4.177 632 2HG1 ILE 144 2HG1 ILE 144 -0.090 -3.012 -3.012 633 1HG2 ILE 144 2HG2 ILE 144 0.626 -4.495 -4.495 634 2HG2 ILE 144 1HG2 ILE 144 -0.917 -3.812 -3.812 635 3HG2 ILE 144 3HG2 ILE 144 0.352 -2.758 -2.758 636 1HD1 ILE 144 3HD1 ILE 144 -0.871 -1.307 -1.307 637 2HD1 ILE 144 2HD1 ILE 144 -2.083 -2.515 -2.515 638 3HD1 ILE 144 1HD1 ILE 144 -2.030 -1.861 -1.861 639 H GLU 145 H GLU 145 2.861 -6.358 -6.358 640 HA GLU 145 HA GLU 145 0.532 -8.119 -8.119 641 1HB GLU 145 2HB GLU 145 1.184 -7.345 -7.345 642 2HB GLU 145 1HB GLU 145 2.886 -7.626 -7.626 643 1HG GLU 145 1HG GLU 145 2.561 -9.994 -9.994 644 2HG GLU 145 2HG GLU 145 0.818 -9.789 -9.789 645 H LYS 146 H LYS 146 3.968 -7.900 -7.900 646 HA LYS 146 HA LYS 146 4.185 -10.720 -10.720 647 1HB LYS 146 2HB LYS 146 6.032 -9.105 -9.105 648 2HB LYS 146 1HB LYS 146 6.263 -8.692 -8.692 649 1HG LYS 146 1HG LYS 146 7.706 -10.393 -10.393 650 2HG LYS 146 2HG LYS 146 6.267 -11.410 -11.410 651 1HD LYS 146 2HD LYS 146 6.886 -10.632 -10.632 652 2HD LYS 146 1HD LYS 146 8.216 -11.504 -11.504 653 1HE LYS 146 1HE LYS 146 6.742 -13.335 -13.335 654 2HE LYS 146 2HE LYS 146 5.355 -12.452 -12.452 655 1HZ LYS 146 1HZ LYS 146 7.656 -13.014 -13.014 656 2HZ LYS 146 3HZ LYS 146 6.517 -14.229 -14.229 657 3HZ LYS 146 2HZ LYS 146 6.033 -12.772 -12.772 658 H VAL 147 H VAL 147 3.708 -7.650 -7.650 659 HA VAL 147 HA VAL 147 4.306 -8.204 -8.204 660 HB VAL 147 HB VAL 147 3.537 -5.992 -5.992 661 1HG1 VAL 147 2HG2 VAL 147 1.617 -6.769 -6.769 662 2HG1 VAL 147 1HG2 VAL 147 0.793 -7.211 -7.211 663 3HG1 VAL 147 3HG2 VAL 147 1.155 -5.517 -5.517 664 1HG2 VAL 147 3HG1 VAL 147 3.660 -6.571 -6.571 665 2HG2 VAL 147 2HG1 VAL 147 2.555 -5.258 -5.258 666 3HG2 VAL 147 1HG1 VAL 147 1.923 -6.867 -6.867 667 H SER 148 H SER 148 2.712 -8.617 -8.617 668 HA SER 148 HA SER 148 1.538 -11.107 -11.107 669 1HB SER 148 1HB SER 148 0.941 -8.851 -8.851 670 2HB SER 148 2HB SER 148 0.292 -10.482 -10.482 671 HG SER 148 HG SER 148 2.087 -10.756 -10.756 672 H PHE 149 H PHE 149 -0.042 -7.911 -7.911 673 HA PHE 149 HA PHE 149 -1.700 -8.023 -8.023 674 1HB PHE 149 1HB PHE 149 -3.918 -8.955 -8.955 675 2HB PHE 149 2HB PHE 149 -2.723 -10.070 -10.070 676 HD1 PHE 149 HD1 PHE 149 -2.903 -8.436 -8.436 677 HD2 PHE 149 HD2 PHE 149 -3.016 -12.047 -12.047 678 HE1 PHE 149 HE1 PHE 149 -2.943 -9.715 -9.715 679 HE2 PHE 149 HE2 PHE 149 -3.055 -13.341 -13.341 680 HZ PHE 149 HZ PHE 149 -3.019 -12.176 -12.176 681 H CYS 150 H CYS 150 -1.271 -7.120 -7.120 682 HA CYS 150 HA CYS 150 -1.596 -5.029 -5.029 683 1HB CYS 150 1HB CYS 150 -2.544 -3.302 -3.302 684 2HB CYS 150 2HB CYS 150 -2.353 -4.384 -4.384 685 HG CYS 150 HG CYS 150 -4.736 -3.611 -3.611 686 H ALA 151 H ALA 151 -3.522 -3.896 -3.896 687 HA ALA 151 HA ALA 151 -5.952 -5.003 -5.003 688 1HB ALA 151 1HB ALA 151 -3.926 -6.794 -6.794 689 2HB ALA 151 3HB ALA 151 -4.827 -6.180 -6.180 690 3HB ALA 151 2HB ALA 151 -5.681 -6.973 -6.973 691 HA PRO 152 HA PRO 152 -5.264 -1.265 -1.265 692 1HB PRO 152 2HB PRO 152 -7.892 -0.594 -0.594 693 2HB PRO 152 1HB PRO 152 -6.893 -0.220 -0.220 694 1HG PRO 152 1HG PRO 152 -8.834 -2.462 -2.462 695 2HG PRO 152 2HG PRO 152 -8.590 -1.439 -1.439 696 1HD PRO 152 2HD PRO 152 -7.578 -3.942 -3.942 697 2HD PRO 152 1HD PRO 152 -6.756 -2.645 -2.645 698 H ASP 153 H ASP 153 -5.281 -1.002 -1.002 699 HA ASP 153 HA ASP 153 -5.670 -3.031 -3.031 700 1HB ASP 153 2HB ASP 153 -6.199 -1.034 -1.034 701 2HB ASP 153 1HB ASP 153 -4.588 -1.307 -1.307 702 H ARG 154 H ARG 154 -7.909 -0.333 -0.333 703 HA ARG 154 HA ARG 154 -10.208 -2.075 -2.075 704 1HB ARG 154 1HB ARG 154 -9.871 -0.625 -0.625 705 2HB ARG 154 2HB ARG 154 -11.068 -1.842 -1.842 706 1HG ARG 154 2HG ARG 154 -9.289 -3.531 -3.531 707 2HG ARG 154 1HG ARG 154 -8.114 -2.302 -2.302 708 1HD ARG 154 1HD ARG 154 -9.857 -1.981 -1.981 709 2HD ARG 154 2HD ARG 154 -10.199 -3.668 -3.668 710 HE ARG 154 HE ARG 154 -7.403 -3.163 -3.163 711 1HH1 ARG 154 1HH1 ARG 154 -10.337 -3.756 -3.756 712 2HH1 ARG 154 2HH1 ARG 154 -9.522 -4.418 -4.418 713 1HH2 ARG 154 2HH2 ARG 154 -6.318 -4.033 -4.033 714 2HH2 ARG 154 1HH2 ARG 154 -7.237 -4.576 -4.576 715 H ASN 155 H ASN 155 -9.020 0.465 0.465 716 HA ASN 155 HA ASN 155 -9.644 2.574 2.574 717 1HB ASN 155 1HB ASN 155 -12.393 1.318 1.318 718 2HB ASN 155 2HB ASN 155 -11.874 2.685 2.685 719 1HD2 ASN 155 2HD2 ASN 155 -10.836 0.713 0.713 720 2HD2 ASN 155 1HD2 ASN 155 -11.347 2.246 2.246 721 H HIS 156 H HIS 156 -9.470 2.233 2.233 722 HA HIS 156 HA HIS 156 -11.701 3.762 3.762 723 1HB HIS 156 2HB HIS 156 -10.811 3.288 3.288 724 2HB HIS 156 1HB HIS 156 -10.724 1.798 1.798 725 HD1 HIS 156 HD1 HIS 156 -8.386 0.828 0.828 726 HD2 HIS 156 HD2 HIS 156 -8.334 4.512 4.512 727 HE1 HIS 156 HE1 HIS 156 -6.005 1.192 1.192 728 H GLU 157 H GLU 157 -8.550 4.311 4.311 729 HA GLU 157 HA GLU 157 -8.834 7.097 7.097 730 1HB GLU 157 2HB GLU 157 -6.569 5.304 5.304 731 2HB GLU 157 1HB GLU 157 -6.207 6.979 6.979 732 1HG GLU 157 2HG GLU 157 -8.422 6.556 6.556 733 2HG GLU 157 1HG GLU 157 -6.814 6.121 6.121 734 H ARG 158 H ARG 158 -8.838 5.254 5.254 735 HA ARG 158 HA ARG 158 -8.377 5.561 5.561 736 1HB ARG 158 2HB ARG 158 -7.033 8.156 8.156 737 2HB ARG 158 1HB ARG 158 -7.818 7.726 7.726 738 1HG ARG 158 1HG ARG 158 -9.098 8.360 8.360 739 2HG ARG 158 2HG ARG 158 -9.272 9.215 9.215 740 1HD ARG 158 2HD ARG 158 -11.061 7.990 7.990 741 2HD ARG 158 1HD ARG 158 -10.037 6.555 6.555 742 HE ARG 158 HE ARG 158 -11.053 5.914 5.914 743 1HH1 ARG 158 1HH1 ARG 158 -11.137 9.392 9.392 744 2HH1 ARG 158 2HH1 ARG 158 -12.005 9.572 9.572 745 1HH2 ARG 158 1HH2 ARG 158 -12.196 6.138 6.138 746 2HH2 ARG 158 2HH2 ARG 158 -12.609 7.721 7.721 747 H GLY 159 H GLY 159 -6.708 3.888 3.888 748 1HA GLY 159 1HA GLY 159 -4.076 4.589 4.589 749 2HA GLY 159 2HA GLY 159 -4.211 3.809 3.809 750 H PHE 160 H PHE 160 -2.910 2.957 2.957 751 HA PHE 160 HA PHE 160 -4.405 0.464 0.464 752 1HB PHE 160 1HB PHE 160 -2.823 2.231 2.231 753 2HB PHE 160 2HB PHE 160 -2.589 0.504 0.504 754 HD1 PHE 160 HD2 PHE 160 -5.730 2.118 2.118 755 HD2 PHE 160 HD1 PHE 160 -3.602 0.272 0.272 756 HE1 PHE 160 HE2 PHE 160 -7.801 2.033 2.033 757 HE2 PHE 160 HE1 PHE 160 -5.668 0.185 0.185 758 HZ PHE 160 HZ PHE 160 -7.771 1.066 1.066 759 H SER 161 H SER 161 -2.607 -1.231 -1.231 760 HA SER 161 HA SER 161 -0.103 -1.218 -1.218 761 1HB SER 161 2HB SER 161 -2.412 -2.558 -2.558 762 2HB SER 161 1HB SER 161 -0.874 -3.420 -3.420 763 HG SER 161 HG SER 161 -0.010 -1.306 -1.306 764 H TYR 162 H TYR 162 0.995 -2.017 -2.017 765 HA TYR 162 HA TYR 162 -0.071 -4.172 -4.172 766 1HB TYR 162 2HB TYR 162 2.600 -2.756 -2.756 767 2HB TYR 162 1HB TYR 162 1.960 -3.878 -3.878 768 HD1 TYR 162 HD2 TYR 162 -0.616 -3.164 -3.164 769 HD2 TYR 162 HD1 TYR 162 2.512 -0.552 -0.552 770 HE1 TYR 162 HE2 TYR 162 -1.725 -1.303 -1.303 771 HE2 TYR 162 HE1 TYR 162 1.414 1.317 1.317 772 HH TYR 162 HH2 TYR 162 -0.649 1.984 1.984 773 H ILE 163 H ILE 163 2.002 -5.705 -5.705 774 HA ILE 163 HA ILE 163 3.577 -6.639 -6.639 775 HB ILE 163 HB ILE 163 2.257 -9.021 -9.021 776 1HG1 ILE 163 1HG1 ILE 163 0.029 -7.200 -7.200 777 2HG1 ILE 163 2HG1 ILE 163 0.402 -7.334 -7.334 778 1HG2 ILE 163 1HG2 ILE 163 2.473 -7.027 -7.027 779 2HG2 ILE 163 3HG2 ILE 163 1.246 -8.279 -8.279 780 3HG2 ILE 163 2HG2 ILE 163 2.937 -8.729 -8.729 781 1HD1 ILE 163 3HD1 ILE 163 0.326 -9.953 -9.953 782 2HD1 ILE 163 2HD1 ILE 163 -1.092 -9.100 -9.100 783 3HD1 ILE 163 1HD1 ILE 163 -0.792 -9.184 -9.184 784 H CYS 164 H CYS 164 5.290 -7.741 -7.741 785 HA CYS 164 HA CYS 164 5.068 -8.901 -8.901 786 1HB CYS 164 2HB CYS 164 6.155 -6.762 -6.762 787 2HB CYS 164 1HB CYS 164 7.277 -7.108 -7.108 788 HG CYS 164 HG CYS 164 8.768 -8.081 -8.081 789 H ARG 165 H ARG 165 6.653 -10.532 -10.532 790 HA ARG 165 HA ARG 165 7.657 -11.852 -11.852 791 1HB ARG 165 1HB ARG 165 7.559 -13.944 -13.944 792 2HB ARG 165 2HB ARG 165 6.064 -13.318 -13.318 793 1HG ARG 165 1HG ARG 165 5.331 -12.489 -12.489 794 2HG ARG 165 2HG ARG 165 6.957 -12.451 -12.451 795 1HD ARG 165 2HD ARG 165 5.532 -14.256 -14.256 796 2HD ARG 165 1HD ARG 165 7.008 -14.843 -14.843 797 HE ARG 165 HE ARG 165 5.198 -15.005 -15.005 798 1HH1 ARG 165 1HH2 ARG 165 5.203 -16.124 -16.124 799 2HH1 ARG 165 2HH2 ARG 165 4.192 -17.492 -17.492 800 1HH2 ARG 165 2HH1 ARG 165 3.867 -16.805 -16.805 801 2HH2 ARG 165 1HH1 ARG 165 3.432 -17.880 -17.880 802 H ASP 166 H ASP 166 9.617 -10.610 -10.610 803 HA ASP 166 HA ASP 166 11.770 -10.233 -10.233 804 1HB ASP 166 2HB ASP 166 11.486 -12.899 -12.899 805 2HB ASP 166 1HB ASP 166 12.037 -12.878 -12.878 806 H GLY 167 H GLY 167 13.266 -11.244 -11.244 807 1HA GLY 167 1HA GLY 167 13.269 -11.272 -11.272 808 2HA GLY 167 2HA GLY 167 11.752 -10.385 -10.385 809 H THR 168 H THR 168 12.966 -8.603 -8.603 810 HA THR 168 HA THR 168 15.115 -7.217 -7.217 811 HB THR 168 HB THR 168 13.753 -5.066 -5.066 812 HG1 THR 168 1HG THR 168 11.899 -5.739 -5.739 813 1HG2 THR 168 1HG2 THR 168 14.411 -6.697 -6.697 814 2HG2 THR 168 3HG2 THR 168 12.684 -7.056 -7.056 815 3HG2 THR 168 2HG2 THR 168 13.244 -5.406 -5.406 816 H THR 169 H THR 169 12.486 -7.052 -7.052 817 HA THR 169 HA THR 169 13.728 -5.140 -5.140 818 HB THR 169 HB THR 169 11.970 -6.901 -6.901 819 HG1 THR 169 1HG THR 169 10.153 -6.688 -6.688 820 1HG2 THR 169 3HG2 THR 169 11.623 -4.093 -4.093 821 2HG2 THR 169 2HG2 THR 169 10.516 -4.918 -4.918 822 3HG2 THR 169 1HG2 THR 169 12.176 -4.591 -4.591 823 H ARG 170 H ARG 170 12.987 -8.484 -8.484 824 HA ARG 170 HA ARG 170 15.585 -9.345 -9.345 825 1HB ARG 170 2HB ARG 170 15.150 -9.180 -9.180 826 2HB ARG 170 1HB ARG 170 16.125 -8.033 -8.033 827 1HG ARG 170 1HG ARG 170 14.543 -6.387 -6.387 828 2HG ARG 170 2HG ARG 170 13.208 -7.531 -7.531 829 1HD ARG 170 2HD ARG 170 13.787 -6.204 -6.204 830 2HD ARG 170 1HD ARG 170 13.715 -7.956 -7.956 831 HE ARG 170 HE ARG 170 15.914 -7.926 -7.926 832 1HH1 ARG 170 1HH1 ARG 170 15.205 -5.011 -5.011 833 2HH1 ARG 170 2HH1 ARG 170 16.779 -4.329 -4.329 834 1HH2 ARG 170 1HH2 ARG 170 17.988 -7.036 -7.036 835 2HH2 ARG 170 2HH2 ARG 170 18.360 -5.480 -5.480 836 H ARG 171 H ARG 171 12.282 -9.365 -9.365 837 HA ARG 171 HA ARG 171 11.979 -12.158 -12.158 838 1HB ARG 171 1HB ARG 171 11.754 -12.949 -12.949 839 2HB ARG 171 2HB ARG 171 13.311 -12.144 -12.144 840 1HG ARG 171 2HG ARG 171 12.775 -10.625 -10.625 841 2HG ARG 171 1HG ARG 171 11.173 -10.360 -10.360 842 1HD ARG 171 2HD ARG 171 11.034 -11.239 -11.239 843 2HD ARG 171 1HD ARG 171 10.339 -12.356 -12.356 844 HE ARG 171 HE ARG 171 11.991 -13.872 -13.872 845 1HH1 ARG 171 1HH1 ARG 171 12.796 -10.772 -10.772 846 2HH1 ARG 171 2HH1 ARG 171 14.121 -11.381 -11.381 847 1HH2 ARG 171 1HH2 ARG 171 13.733 -14.688 -14.688 848 2HH2 ARG 171 2HH2 ARG 171 14.653 -13.609 -13.609 849 H TRP 172 H TRP 172 9.887 -12.392 -12.392 850 HA TRP 172 HA TRP 172 7.717 -11.286 -11.286 851 1HB TRP 172 1HB TRP 172 7.545 -12.162 -12.162 852 2HB TRP 172 2HB TRP 172 6.309 -12.254 -12.254 853 HD1 TRP 172 HD1 TRP 172 7.158 -14.795 -14.795 854 HE1 TRP 172 HE1 TRP 172 8.077 -16.876 -16.876 855 HE3 TRP 172 HE3 TRP 172 8.676 -12.612 -12.612 856 HZ2 TRP 172 2HZ TRP 172 9.284 -17.511 -17.511 857 HZ3 TRP 172 HZ3 TRP 172 9.701 -14.027 -14.027 858 HH2 TRP 172 HH2 TRP 172 9.999 -16.426 -16.426 859 H MET 173 H MET 173 8.587 -9.079 -9.079 860 HA MET 173 HA MET 173 8.474 -7.559 -7.559 861 1HB MET 173 1HB MET 173 9.053 -6.614 -6.614 862 2HB MET 173 2HB MET 173 9.316 -5.703 -5.703 863 1HG MET 173 1HG MET 173 10.792 -8.121 -8.121 864 2HG MET 173 2HG MET 173 11.420 -6.506 -6.506 865 1HE MET 173 3HE MET 173 11.327 -5.404 -5.404 866 2HE MET 173 2HE MET 173 9.874 -6.048 -6.048 867 3HE MET 173 1HE MET 173 11.449 -6.260 -6.260 868 H CYS 174 H CYS 174 6.681 -6.688 -6.688 869 HA CYS 174 HA CYS 174 4.370 -6.350 -6.350 870 1HB CYS 174 2HB CYS 174 4.940 -6.338 -6.338 871 2HB CYS 174 1HB CYS 174 3.773 -5.113 -5.113 872 HG CYS 174 HG CYS 174 2.687 -7.508 -7.508 873 H HIS 175 H HIS 175 3.200 -4.208 -4.208 874 HA HIS 175 HA HIS 175 5.097 -1.962 -1.962 875 1HB HIS 175 2HB HIS 175 3.089 -2.568 -2.568 876 2HB HIS 175 1HB HIS 175 4.064 -1.105 -1.105 877 HD1 HIS 175 HD1 HIS 175 6.616 -1.352 -1.352 878 HD2 HIS 175 HD2 HIS 175 4.385 -4.830 -4.830 879 HE1 HIS 175 HE1 HIS 175 8.069 -2.970 -2.970 880 H GLY 176 H GLY 176 4.416 -0.388 -0.388 881 1HA GLY 176 1HA GLY 176 1.507 -0.096 -0.096 882 2HA GLY 176 2HA GLY 176 2.709 0.221 0.221 883 H PHE 177 H PHE 177 0.727 1.620 1.620 884 HA PHE 177 HA PHE 177 2.108 4.170 4.170 885 1HB PHE 177 1HB PHE 177 1.954 4.733 4.733 886 2HB PHE 177 2HB PHE 177 2.869 3.243 3.243 887 HD1 PHE 177 HD1 PHE 177 1.094 1.101 1.101 888 HD2 PHE 177 HD2 PHE 177 0.670 4.769 4.769 889 HE1 PHE 177 HE1 PHE 177 -0.395 -0.005 -0.005 890 HE2 PHE 177 HE2 PHE 177 -0.821 3.671 3.671 891 HZ PHE 177 HZ PHE 177 -1.355 1.279 1.279 892 H LEU 178 H LEU 178 0.705 6.022 6.022 893 HA LEU 178 HA LEU 178 -2.155 5.379 5.379 894 1HB LEU 178 1HB LEU 178 -1.283 7.683 7.683 895 2HB LEU 178 2HB LEU 178 -2.602 6.559 6.559 896 HG LEU 178 HG LEU 178 0.255 5.718 5.718 897 1HD1 LEU 178 2HD1 LEU 178 -0.593 7.817 7.817 898 2HD1 LEU 178 1HD1 LEU 178 -1.409 6.580 6.580 899 3HD1 LEU 178 3HD1 LEU 178 0.346 6.542 6.542 900 1HD2 LEU 178 1HD2 LEU 178 -2.342 4.507 4.507 901 2HD2 LEU 178 3HD2 LEU 178 -0.742 3.772 3.772 902 3HD2 LEU 178 2HD2 LEU 178 -1.479 4.495 4.495 903 H ALA 179 H ALA 179 -3.349 6.578 6.578 904 HA ALA 179 HA ALA 179 -2.332 8.159 8.159 905 1HB ALA 179 3HB ALA 179 -4.657 7.207 7.207 906 2HB ALA 179 2HB ALA 179 -5.066 8.607 8.607 907 3HB ALA 179 1HB ALA 179 -4.542 8.831 8.831 908 H CYS 180 H CYS 180 -1.867 10.275 10.275 909 HA CYS 180 HA CYS 180 -1.191 11.867 11.867 910 1HB CYS 180 2HB CYS 180 -0.813 11.937 11.937 911 2HB CYS 180 1HB CYS 180 -1.388 13.511 13.511 912 HG CYS 180 HG CYS 180 0.907 12.639 12.639 913 H LYS 181 H LYS 181 -3.677 12.355 12.355 914 HA LYS 181 HA LYS 181 -4.896 14.584 14.584 915 1HB LYS 181 1HB LYS 181 -6.340 12.485 12.485 916 2HB LYS 181 2HB LYS 181 -6.744 14.189 14.189 917 1HG LYS 181 1HG LYS 181 -4.333 13.035 13.035 918 2HG LYS 181 2HG LYS 181 -5.753 13.750 13.750 919 1HD LYS 181 1HD LYS 181 -4.362 15.442 15.442 920 2HD LYS 181 2HD LYS 181 -3.476 15.105 15.105 921 1HE LYS 181 2HE LYS 181 -4.687 16.619 16.619 922 2HE LYS 181 1HE LYS 181 -6.160 15.732 15.732 923 1HZ LYS 181 3HZ LYS 181 -4.924 17.569 17.569 924 2HZ LYS 181 2HZ LYS 181 -5.980 18.143 18.143 925 3HZ LYS 181 1HZ LYS 181 -6.517 17.004 17.004 926 H ASP 182 H ASP 182 -5.283 11.158 11.158 927 HA ASP 182 HA ASP 182 -6.287 9.996 9.996 928 1HB ASP 182 1HB ASP 182 -5.221 11.916 11.916 929 2HB ASP 182 2HB ASP 182 -6.846 12.592 12.592 930 H SER 183 H SER 183 -7.931 9.816 9.816 931 HA SER 183 HA SER 183 -10.519 10.060 10.060 932 1HB SER 183 2HB SER 183 -9.797 12.412 12.412 933 2HB SER 183 1HB SER 183 -10.438 11.630 11.630 934 HG SER 183 HG SER 183 -11.847 11.764 11.764 935 H GLY 184 H GLY 184 -8.707 8.124 8.124 936 1HA GLY 184 2HA GLY 184 -8.722 6.554 6.554 937 2HA GLY 184 1HA GLY 184 -10.335 6.324 6.324 938 H GLU 185 H GLU 185 -9.193 9.125 9.125 939 HA GLU 185 HA GLU 185 -10.645 8.214 8.214 940 1HB GLU 185 2HB GLU 185 -11.595 10.323 10.323 941 2HB GLU 185 1HB GLU 185 -11.630 10.742 10.742 942 1HG GLU 185 2HG GLU 185 -13.341 9.369 9.369 943 2HG GLU 185 1HG GLU 185 -12.709 8.093 8.093 944 H ARG 186 H ARG 186 -7.846 8.985 8.985 945 HA ARG 186 HA ARG 186 -7.266 10.500 10.500 946 1HB ARG 186 2HB ARG 186 -7.108 11.687 11.687 947 2HB ARG 186 1HB ARG 186 -5.708 11.954 11.954 948 1HG ARG 186 2HG ARG 186 -8.212 12.431 12.431 949 2HG ARG 186 1HG ARG 186 -8.014 13.452 13.452 950 1HD ARG 186 1HD ARG 186 -5.528 13.522 13.522 951 2HD ARG 186 2HD ARG 186 -6.645 13.541 13.541 952 HE ARG 186 HE ARG 186 -7.384 15.402 15.402 953 1HH1 ARG 186 2HH1 ARG 186 -5.282 14.895 14.895 954 2HH1 ARG 186 1HH1 ARG 186 -5.117 16.583 16.583 955 1HH2 ARG 186 1HH2 ARG 186 -7.174 17.628 17.628 956 2HH2 ARG 186 2HH2 ARG 186 -6.192 18.137 18.137 957 H LEU 187 H LEU 187 -6.682 7.853 7.853 958 HA LEU 187 HA LEU 187 -4.118 7.432 7.432 959 1HB LEU 187 2HB LEU 187 -3.131 8.692 8.692 960 2HB LEU 187 1HB LEU 187 -4.302 8.188 8.188 961 HG LEU 187 HG LEU 187 -2.289 6.254 6.254 962 1HD1 LEU 187 3HD2 LEU 187 -1.771 8.555 8.555 963 2HD1 LEU 187 2HD2 LEU 187 -1.436 7.067 7.067 964 3HD1 LEU 187 1HD2 LEU 187 -0.646 7.369 7.369 965 1HD2 LEU 187 2HD1 LEU 187 -4.465 6.078 6.078 966 2HD2 LEU 187 1HD1 LEU 187 -3.270 4.834 4.834 967 3HD2 LEU 187 3HD1 LEU 187 -2.999 5.935 5.935 968 H SER 188 H SER 188 -6.506 6.544 6.544 969 HA SER 188 HA SER 188 -5.807 3.790 3.790 970 1HB SER 188 2HB SER 188 -8.346 5.254 5.254 971 2HB SER 188 1HB SER 188 -8.073 3.540 3.540 972 HG SER 188 HG SER 188 -6.140 4.260 4.260 973 H HIS 189 H HIS 189 -8.812 5.229 5.229 974 HA HIS 189 HA HIS 189 -9.577 3.024 3.024 975 1HB HIS 189 2HB HIS 189 -11.063 4.934 4.934 976 2HB HIS 189 1HB HIS 189 -10.161 5.939 5.939 977 HD1 HIS 189 HD1 HIS 189 -10.248 5.000 5.000 978 HD2 HIS 189 HD2 HIS 189 -13.158 3.653 3.653 979 HE1 HIS 189 HE1 HIS 189 -12.126 4.079 4.079 980 H ALA 190 H ALA 190 -7.276 5.547 5.547 981 HA ALA 190 HA ALA 190 -7.032 5.373 5.373 982 1HB ALA 190 2HB ALA 190 -5.806 6.816 6.816 983 2HB ALA 190 1HB ALA 190 -4.501 5.794 5.794 984 3HB ALA 190 3HB ALA 190 -5.379 6.854 6.854 985 H VAL 191 H VAL 191 -5.271 3.655 3.655 986 HA VAL 191 HA VAL 191 -3.829 2.003 2.003 987 HB VAL 191 HB VAL 191 -4.260 1.254 1.254 988 1HG1 VAL 191 3HG2 VAL 191 -2.400 0.597 0.597 989 2HG1 VAL 191 2HG2 VAL 191 -1.615 0.942 0.942 990 3HG1 VAL 191 1HG2 VAL 191 -2.841 -0.321 -0.321 991 1HG2 VAL 191 1HG1 VAL 191 -3.254 3.781 3.781 992 2HG2 VAL 191 3HG1 VAL 191 -3.390 3.145 3.145 993 3HG2 VAL 191 2HG1 VAL 191 -1.932 2.844 2.844 994 H GLY 192 H GLY 192 -6.752 1.649 1.649 995 1HA GLY 192 1HA GLY 192 -7.245 -1.060 -1.060 996 2HA GLY 192 2HA GLY 192 -8.502 0.168 0.168 997 H CYS 193 H CYS 193 -7.910 1.527 1.527 998 HA CYS 193 HA CYS 193 -9.115 -0.270 -0.270 999 1HB CYS 193 1HB CYS 193 -8.728 2.612 2.612 1000 2HB CYS 193 2HB CYS 193 -8.454 2.050 2.050 1001 HG CYS 193 HG CYS 193 -11.053 0.941 0.941 1002 H ALA 194 H ALA 194 -5.969 1.050 1.050 1003 HA ALA 194 HA ALA 194 -4.688 0.645 0.645 1004 1HB ALA 194 2HB ALA 194 -3.764 0.747 0.747 1005 2HB ALA 194 1HB ALA 194 -2.638 0.245 0.245 1006 3HB ALA 194 3HB ALA 194 -3.404 1.832 1.832 1007 H PHE 195 H PHE 195 -5.241 -1.580 -1.580 1008 HA PHE 195 HA PHE 195 -3.799 -3.774 -3.774 1009 1HB PHE 195 1HB PHE 195 -6.001 -3.367 -3.367 1010 2HB PHE 195 2HB PHE 195 -5.811 -5.000 -5.000 1011 HD1 PHE 195 HD1 PHE 195 -3.802 -6.288 -6.288 1012 HD2 PHE 195 HD2 PHE 195 -4.351 -2.388 -2.388 1013 HE1 PHE 195 HE1 PHE 195 -1.985 -6.702 -6.702 1014 HE2 PHE 195 HE2 PHE 195 -2.535 -2.796 -2.796 1015 HZ PHE 195 HZ PHE 195 -1.349 -4.955 -4.955 1016 H ALA 196 H ALA 196 -6.889 -2.456 -2.456 1017 HA ALA 196 HA ALA 196 -8.166 -4.565 -4.565 1018 1HB ALA 196 2HB ALA 196 -8.872 -2.087 -2.087 1019 2HB ALA 196 1HB ALA 196 -8.150 -1.888 -1.888 1020 3HB ALA 196 3HB ALA 196 -9.486 -3.017 -3.017 1021 H VAL 197 H VAL 197 -5.802 -2.363 -2.363 1022 HA VAL 197 HA VAL 197 -5.762 -3.430 -3.430 1023 HB VAL 197 HB VAL 197 -3.380 -2.387 -2.387 1024 1HG1 VAL 197 1HG2 VAL 197 -2.802 -3.664 -3.664 1025 2HG1 VAL 197 3HG2 VAL 197 -3.806 -2.558 -2.558 1026 3HG1 VAL 197 2HG2 VAL 197 -2.371 -1.956 -1.956 1027 1HG2 VAL 197 2HG1 VAL 197 -5.739 -1.090 -1.090 1028 2HG2 VAL 197 1HG1 VAL 197 -4.406 -0.417 -0.417 1029 3HG2 VAL 197 3HG1 VAL 197 -4.303 -0.481 -0.481 1030 H CYS 198 H CYS 198 -4.147 -4.599 -4.599 1031 HA CYS 198 HA CYS 198 -2.538 -6.572 -6.572 1032 1HB CYS 198 2HB CYS 198 -2.612 -5.661 -5.661 1033 2HB CYS 198 1HB CYS 198 -3.739 -6.989 -6.989 1034 HG CYS 198 HG CYS 198 -0.798 -7.445 -7.445 1035 H LEU 199 H LEU 199 -5.887 -6.541 -6.541 1036 HA LEU 199 HA LEU 199 -6.334 -9.021 -9.021 1037 1HB LEU 199 1HB LEU 199 -7.771 -9.905 -9.905 1038 2HB LEU 199 2HB LEU 199 -6.110 -9.730 -9.730 1039 HG LEU 199 HG LEU 199 -8.055 -7.539 -7.539 1040 1HD1 LEU 199 1HD2 LEU 199 -9.153 -9.675 -9.675 1041 2HD1 LEU 199 3HD2 LEU 199 -7.772 -10.021 -10.021 1042 3HD1 LEU 199 2HD2 LEU 199 -8.792 -8.618 -8.618 1043 1HD2 LEU 199 1HD1 LEU 199 -5.647 -7.276 -7.276 1044 2HD2 LEU 199 3HD1 LEU 199 -6.630 -7.212 -7.212 1045 3HD2 LEU 199 2HD1 LEU 199 -5.721 -8.672 -8.672 1046 H GLU 200 H GLU 200 -6.971 -7.025 -7.025 1047 HA GLU 200 HA GLU 200 -9.119 -5.395 -5.395 1048 1HB GLU 200 1HB GLU 200 -9.450 -5.391 -5.391 1049 2HB GLU 200 2HB GLU 200 -7.827 -5.005 -5.005 1050 1HG GLU 200 1HG GLU 200 -7.868 -7.780 -7.780 1051 2HG GLU 200 2HG GLU 200 -8.706 -7.097 -7.097 1052 H ARG 201 H ARG 201 -9.142 -8.773 -8.773 1053 HA ARG 201 HA ARG 201 -12.035 -8.752 -8.752 1054 1HB ARG 201 1HB ARG 201 -9.919 -10.309 -10.309 1055 2HB ARG 201 2HB ARG 201 -10.884 -11.389 -11.389 1056 1HG ARG 201 2HG ARG 201 -12.814 -10.076 -10.076 1057 2HG ARG 201 1HG ARG 201 -11.501 -10.145 -10.145 1058 1HD ARG 201 1HD ARG 201 -11.746 -12.668 -12.668 1059 2HD ARG 201 2HD ARG 201 -13.311 -12.181 -12.181 1060 HE ARG 201 HE ARG 201 -11.626 -11.750 -11.750 1061 1HH1 ARG 201 1HH2 ARG 201 -12.219 -14.483 -14.483 1062 2HH1 ARG 201 2HH2 ARG 201 -11.816 -15.655 -15.655 1063 1HH2 ARG 201 1HH1 ARG 201 -11.092 -13.284 -13.284 1064 2HH2 ARG 201 2HH1 ARG 201 -11.174 -14.973 -14.973 1065 H LYS 202 H LYS 202 -10.699 -8.277 -8.277 1066 HA LYS 202 HA LYS 202 -10.903 -8.882 -8.882 1067 1HB LYS 202 1HB LYS 202 -13.475 -9.508 -9.508 1068 2HB LYS 202 2HB LYS 202 -13.204 -10.341 -10.341 1069 1HG LYS 202 2HG LYS 202 -14.418 -8.208 -8.208 1070 2HG LYS 202 1HG LYS 202 -12.905 -8.259 -8.259 1071 1HD LYS 202 1HD LYS 202 -11.826 -7.064 -7.064 1072 2HD LYS 202 2HD LYS 202 -13.442 -6.848 -6.848 1073 1HE LYS 202 1HE LYS 202 -13.259 -6.056 -6.056 1074 2HE LYS 202 2HE LYS 202 -12.174 -5.140 -5.140 1075 1HZ LYS 202 1HZ LYS 202 -14.605 -5.291 -5.291 1076 2HZ LYS 202 3HZ LYS 202 -14.973 -4.904 -4.904 1077 3HZ LYS 202 2HZ LYS 202 -13.909 -3.928 -3.928 1078 H GLN 203 H GLN 203 -9.393 -10.642 -10.642 1079 HA GLN 203 HA GLN 203 -10.031 -13.353 -13.353 1080 1HB GLN 203 1HB GLN 203 -7.797 -11.863 -11.863 1081 2HB GLN 203 2HB GLN 203 -7.324 -13.367 -13.367 1082 1HG GLN 203 1HG GLN 203 -9.297 -14.377 -14.377 1083 2HG GLN 203 2HG GLN 203 -9.106 -12.931 -12.931 1084 1HE2 GLN 203 1HE2 GLN 203 -7.018 -12.549 -12.549 1085 2HE2 GLN 203 2HE2 GLN 203 -6.009 -13.890 -13.890 1086 H ARG 204 H ARG 204 -10.499 -13.346 -13.346 1087 HA ARG 204 HA ARG 204 -8.132 -13.167 -13.167 1088 1HB ARG 204 2HB ARG 204 -11.083 -12.957 -12.957 1089 2HB ARG 204 1HB ARG 204 -9.918 -13.249 -13.249 1090 1HG ARG 204 1HG ARG 204 -8.866 -11.161 -11.161 1091 2HG ARG 204 2HG ARG 204 -9.725 -10.908 -10.908 1092 1HD ARG 204 2HD ARG 204 -11.020 -11.066 -11.066 1093 2HD ARG 204 1HD ARG 204 -10.651 -9.571 -9.571 1094 HE ARG 204 HE ARG 204 -12.196 -11.175 -11.175 1095 1HH1 ARG 204 1HH2 ARG 204 -12.505 -9.458 -9.458 1096 2HH1 ARG 204 2HH2 ARG 204 -14.202 -9.172 -9.172 1097 1HH2 ARG 204 1HH1 ARG 204 -14.430 -10.805 -10.805 1098 2HH2 ARG 204 2HH1 ARG 204 -15.297 -9.938 -9.938 1099 H ARG 205 H ARG 205 -9.175 -15.450 -15.450 1100 HA ARG 205 HA ARG 205 -10.148 -17.560 -17.560 1101 1HB ARG 205 2HB ARG 205 -9.440 -17.244 -17.244 1102 2HB ARG 205 1HB ARG 205 -8.112 -18.250 -18.250 1103 1HG ARG 205 2HG ARG 205 -9.412 -20.071 -20.071 1104 2HG ARG 205 1HG ARG 205 -10.802 -19.140 -19.140 1105 1HD ARG 205 2HD ARG 205 -11.672 -18.987 -18.987 1106 2HD ARG 205 1HD ARG 205 -10.110 -18.616 -18.616 1107 HE ARG 205 HE ARG 205 -9.839 -20.841 -20.841 1108 1HH1 ARG 205 1HH1 ARG 205 -12.520 -20.454 -20.454 1109 2HH1 ARG 205 2HH1 ARG 205 -13.063 -22.089 -22.089 1110 1HH2 ARG 205 2HH2 ARG 205 -10.546 -22.996 -22.996 1111 2HH2 ARG 205 1HH2 ARG 205 -11.941 -23.536 -23.536 1112 H THR 206 H THR 206 -7.004 -16.138 -16.138 1113 HA THR 206 HA THR 206 -5.328 -18.146 -18.146 1114 HB THR 206 HB THR 206 -4.507 -15.907 -15.907 1115 HG1 THR 206 1HG THR 206 -3.149 -16.936 -16.936 1116 1HG2 THR 206 3HG2 THR 206 -6.624 -14.917 -14.917 1117 2HG2 THR 206 2HG2 THR 206 -5.460 -14.849 -14.849 1118 3HG2 THR 206 1HG2 THR 206 -5.119 -14.019 -14.019 1119 H ARG 207 H ARG 207 -4.412 -18.482 -18.482 1120 HA ARG 207 HA ARG 207 -4.618 -19.102 -19.102 1121 1HB ARG 207 1HB ARG 207 -6.330 -16.873 -16.873 1122 2HB ARG 207 2HB ARG 207 -7.235 -18.098 -18.098 1123 1HG ARG 207 2HG ARG 207 -5.203 -18.326 -18.326 1124 2HG ARG 207 1HG ARG 207 -4.605 -16.852 -16.852 1125 1HD ARG 207 2HD ARG 207 -5.789 -15.690 -15.690 1126 2HD ARG 207 1HD ARG 207 -7.250 -16.295 -16.295 1127 HE ARG 207 HE ARG 207 -7.604 -17.645 -17.645 1128 1HH1 ARG 207 2HH1 ARG 207 -4.285 -16.593 -16.593 1129 2HH1 ARG 207 1HH1 ARG 207 -3.938 -17.277 -17.277 1130 1HH2 ARG 207 2HH2 ARG 207 -7.159 -18.551 -18.551 1131 2HH2 ARG 207 1HH2 ARG 207 -5.572 -18.391 -18.391 1132 H ALA 208 H ALA 208 -8.061 -19.027 -19.027 1133 HA ALA 208 HA ALA 208 -8.289 -21.816 -21.816 1134 1HB ALA 208 1HB ALA 208 -10.344 -19.724 -19.724 1135 2HB ALA 208 3HB ALA 208 -10.746 -21.399 -21.399 1136 3HB ALA 208 2HB ALA 208 -9.955 -20.388 -20.388 1137 H ALA 209 H ALA 209 -9.830 -23.188 -23.188 1138 HA ALA 209 HA ALA 209 -10.280 -24.307 -24.307 1139 1HB ALA 209 3HB ALA 209 -10.654 -21.591 -21.591 1140 2HB ALA 209 2HB ALA 209 -9.783 -22.292 -22.292 1141 3HB ALA 209 1HB ALA 209 -11.317 -22.990 -22.990 1142 H ALA 210 H ALA 210 -9.301 -24.952 -24.952 1143 HA ALA 210 HA ALA 210 -6.462 -25.337 -25.337 1144 1HB ALA 210 3HB ALA 210 -8.381 -26.955 -26.955 1145 2HB ALA 210 2HB ALA 210 -7.703 -26.327 -26.327 1146 3HB ALA 210 1HB ALA 210 -6.662 -27.152 -27.152 1147 1H ALA 1 3HT ALA 1 -13.268 -7.670 -7.670 1148 2H ALA 1 2HT ALA 1 -11.810 -7.575 -7.575 1149 3H ALA 1 1HT ALA 1 -13.250 -6.881 -6.881 1150 HA ALA 1 HA ALA 1 -13.162 -5.107 -5.107 1151 1HB ALA 1 1HB ALA 1 -10.881 -5.677 -5.677 1152 2HB ALA 1 3HB ALA 1 -10.264 -5.514 -5.514 1153 3HB ALA 1 2HB ALA 1 -11.146 -4.182 -4.182 1154 H TYR 2 H TYR 2 -10.578 -7.010 -7.010 1155 HA TYR 2 HA TYR 2 -11.980 -7.194 -7.194 1156 1HB TYR 2 1HB TYR 2 -9.865 -5.899 -5.899 1157 2HB TYR 2 2HB TYR 2 -11.403 -5.125 -5.125 1158 HD1 TYR 2 HD2 TYR 2 -8.806 -6.127 -6.127 1159 HD2 TYR 2 HD1 TYR 2 -10.707 -2.921 -2.921 1160 HE1 TYR 2 HE2 TYR 2 -7.663 -4.514 -4.514 1161 HE2 TYR 2 HE1 TYR 2 -9.568 -1.302 -1.302 1162 HH TYR 2 HH2 TYR 2 -8.519 -1.592 -1.592 1163 H ILE 3 H ILE 3 -8.495 -6.788 -6.788 1164 HA ILE 3 HA ILE 3 -8.239 -9.685 -9.685 1165 HB ILE 3 HB ILE 3 -6.376 -7.450 -7.450 1166 1HG1 ILE 3 1HG1 ILE 3 -6.969 -8.592 -8.592 1167 2HG1 ILE 3 2HG1 ILE 3 -8.389 -9.154 -9.154 1168 1HG2 ILE 3 2HG2 ILE 3 -6.099 -10.436 -10.436 1169 2HG2 ILE 3 1HG2 ILE 3 -5.116 -9.253 -9.253 1170 3HG2 ILE 3 3HG2 ILE 3 -5.038 -9.348 -9.348 1171 1HD1 ILE 3 2HD1 ILE 3 -7.771 -6.279 -6.279 1172 2HD1 ILE 3 1HD1 ILE 3 -8.321 -6.864 -6.864 1173 3HD1 ILE 3 3HD1 ILE 3 -9.323 -7.106 -7.106 1174 H GLY 4 H GLY 4 -6.680 -6.918 -6.918 1175 1HA GLY 4 1HA GLY 4 -4.764 -8.253 -8.253 1176 2HA GLY 4 2HA GLY 4 -5.599 -6.807 -6.807 1177 HA PRO 5 HA PRO 5 -7.513 -9.202 -9.202 1178 1HB PRO 5 2HB PRO 5 -9.970 -7.624 -7.624 1179 2HB PRO 5 1HB PRO 5 -8.851 -7.694 -7.694 1180 1HG PRO 5 1HG PRO 5 -9.030 -5.521 -5.521 1181 2HG PRO 5 2HG PRO 5 -7.490 -6.039 -6.039 1182 1HD PRO 5 2HD PRO 5 -8.521 -6.451 -6.451 1183 2HD PRO 5 1HD PRO 5 -6.897 -5.977 -5.977 1184 1HN PTR 6 H PTR 6 -9.296 -10.664 -10.664 1185 HA PTR 6 HA PTR 6 -10.765 -12.306 -12.306 1186 1HB PTR 6 1HB PTR 6 -11.501 -10.291 -10.291 1187 2HB PTR 6 2HB PTR 6 -12.317 -10.576 -10.576 1188 HD1 PTR 6 HD1 PTR 6 -12.126 -11.482 -11.482 1189 HD2 PTR 6 HD2 PTR 6 -13.659 -12.652 -12.652 1190 HE1 PTR 6 HE1 PTR 6 -13.205 -13.478 -13.478 1191 HE2 PTR 6 HE2 PTR 6 -14.812 -14.557 -14.557 1192 H LEU 7 H LEU 7 -10.318 -11.250 -11.250 1193 HA LEU 7 HA LEU 7 -9.545 -12.343 -12.343 1194 1HB LEU 7 1HB LEU 7 -7.461 -12.072 -12.072 1195 2HB LEU 7 2HB LEU 7 -7.518 -13.821 -13.821 1196 HG LEU 7 HG LEU 7 -7.007 -11.877 -11.877 1197 1HD1 LEU 7 1HD1 LEU 7 -5.510 -14.237 -14.237 1198 2HD1 LEU 7 3HD1 LEU 7 -5.033 -13.342 -13.342 1199 3HD1 LEU 7 2HD1 LEU 7 -5.066 -12.534 -12.534 1200 1HD2 LEU 7 3HD2 LEU 7 -8.704 -13.612 -13.612 1201 2HD2 LEU 7 2HD2 LEU 7 -7.214 -13.603 -13.603 1202 3HD2 LEU 7 1HD2 LEU 7 -7.462 -14.827 -14.827 Start of MODEL 11 1 HA SER 64 HA SER 64 -15.898 6.296 6.296 2 1HB SER 64 1HB SER 64 -17.220 7.362 7.362 3 2HB SER 64 2HB SER 64 -15.520 7.459 7.459 4 HG SER 64 HG SER 64 -15.422 5.174 5.174 5 H LYS 65 H LYS 65 -15.607 8.501 8.501 6 HA LYS 65 HA LYS 65 -18.095 10.005 10.005 7 1HB LYS 65 1HB LYS 65 -15.791 9.897 9.897 8 2HB LYS 65 2HB LYS 65 -17.360 10.653 10.653 9 1HG LYS 65 2HG LYS 65 -16.964 7.696 7.696 10 2HG LYS 65 1HG LYS 65 -17.059 8.483 8.483 11 1HD LYS 65 2HD LYS 65 -19.293 8.805 8.805 12 2HD LYS 65 1HD LYS 65 -19.238 9.117 9.117 13 1HE LYS 65 1HE LYS 65 -20.331 7.106 7.106 14 2HE LYS 65 2HE LYS 65 -18.662 6.557 6.557 15 1HZ LYS 65 2HZ LYS 65 -18.795 6.539 6.539 16 2HZ LYS 65 1HZ LYS 65 -20.465 6.456 6.456 17 3HZ LYS 65 3HZ LYS 65 -19.451 5.254 5.254 18 HA PRO 66 HA PRO 66 -15.881 13.367 13.367 19 1HB PRO 66 1HB PRO 66 -17.328 15.458 15.458 20 2HB PRO 66 2HB PRO 66 -17.986 14.278 14.278 21 1HG PRO 66 1HG PRO 66 -18.410 14.499 14.499 22 2HG PRO 66 2HG PRO 66 -19.591 14.156 14.156 23 1HD PRO 66 1HD PRO 66 -18.448 12.229 12.229 24 2HD PRO 66 2HD PRO 66 -19.055 11.929 11.929 25 H HIS 67 H HIS 67 -14.562 15.213 15.213 26 HA HIS 67 HA HIS 67 -13.009 16.400 16.400 27 1HB HIS 67 1HB HIS 67 -14.611 15.904 15.904 28 2HB HIS 67 2HB HIS 67 -13.590 17.285 17.285 29 HD1 HIS 67 HD1 HIS 67 -17.058 16.271 16.271 30 HD2 HIS 67 HD2 HIS 67 -14.724 18.877 18.877 31 HE1 HIS 67 HE1 HIS 67 -18.662 17.857 17.857 32 H GLN 68 H GLN 68 -11.092 15.471 15.471 33 HA GLN 68 HA GLN 68 -9.370 14.229 14.229 34 1HB GLN 68 2HB GLN 68 -11.148 14.594 14.594 35 2HB GLN 68 1HB GLN 68 -10.147 13.155 13.155 36 1HG GLN 68 1HG GLN 68 -8.424 14.384 14.384 37 2HG GLN 68 2HG GLN 68 -8.508 15.294 15.294 38 1HE2 GLN 68 2HE2 GLN 68 -8.898 18.037 18.037 39 2HE2 GLN 68 1HE2 GLN 68 -7.790 17.125 17.125 40 H TRP 69 H TRP 69 -12.099 12.428 12.428 41 HA TRP 69 HA TRP 69 -11.191 9.893 9.893 42 1HB TRP 69 1HB TRP 69 -13.882 11.103 11.103 43 2HB TRP 69 2HB TRP 69 -13.831 9.475 9.475 44 HD1 TRP 69 HD1 TRP 69 -11.223 8.679 8.679 45 HE1 TRP 69 HE1 TRP 69 -11.746 8.063 8.063 46 HE3 TRP 69 HE3 TRP 69 -15.834 10.847 10.847 47 HZ2 TRP 69 2HZ TRP 69 -13.835 8.446 8.446 48 HZ3 TRP 69 HZ3 TRP 69 -17.027 10.677 10.677 49 HH2 TRP 69 HH2 TRP 69 -16.048 9.501 9.501 50 H GLN 70 H GLN 70 -12.710 12.025 12.025 51 HA GLN 70 HA GLN 70 -13.187 10.130 10.130 52 1HB GLN 70 1HB GLN 70 -13.530 11.973 11.973 53 2HB GLN 70 2HB GLN 70 -14.066 12.509 12.509 54 1HG GLN 70 1HG GLN 70 -12.026 13.748 13.748 55 2HG GLN 70 2HG GLN 70 -11.382 13.139 13.139 56 1HE2 GLN 70 2HE2 GLN 70 -13.131 16.571 16.571 57 2HE2 GLN 70 1HE2 GLN 70 -12.209 15.865 15.865 58 H ALA 71 H ALA 71 -10.351 11.969 11.969 59 HA ALA 71 HA ALA 71 -8.832 11.200 11.200 60 1HB ALA 71 1HB ALA 71 -8.604 13.306 13.306 61 2HB ALA 71 3HB ALA 71 -7.507 12.243 12.243 62 3HB ALA 71 2HB ALA 71 -7.202 12.613 12.613 63 H ASP 72 H ASP 72 -8.550 10.479 10.479 64 HA ASP 72 HA ASP 72 -6.517 8.636 8.636 65 1HB ASP 72 1HB ASP 72 -7.400 9.405 9.405 66 2HB ASP 72 2HB ASP 72 -8.964 8.668 8.668 67 H GLU 73 H GLU 73 -9.998 7.974 7.974 68 HA GLU 73 HA GLU 73 -9.940 5.235 5.235 69 1HB GLU 73 2HB GLU 73 -11.941 6.868 6.868 70 2HB GLU 73 1HB GLU 73 -11.666 6.929 6.929 71 1HG GLU 73 2HG GLU 73 -13.071 5.205 5.205 72 2HG GLU 73 1HG GLU 73 -11.694 4.247 4.247 73 H GLU 74 H GLU 74 -9.275 7.673 7.673 74 HA GLU 74 HA GLU 74 -8.727 5.645 5.645 75 1HB GLU 74 1HB GLU 74 -9.764 8.041 8.041 76 2HB GLU 74 2HB GLU 74 -8.079 8.543 8.543 77 1HG GLU 74 1HG GLU 74 -7.650 7.394 7.394 78 2HG GLU 74 2HG GLU 74 -9.022 6.309 6.309 79 H ALA 75 H ALA 75 -7.018 7.525 7.525 80 HA ALA 75 HA ALA 75 -4.438 7.401 7.401 81 1HB ALA 75 3HB ALA 75 -5.562 8.681 8.681 82 2HB ALA 75 2HB ALA 75 -4.328 7.602 7.602 83 3HB ALA 75 1HB ALA 75 -3.897 8.799 8.799 84 H VAL 76 H VAL 76 -5.614 5.877 5.877 85 HA VAL 76 HA VAL 76 -3.616 4.050 4.050 86 HB VAL 76 HB VAL 76 -6.105 4.590 4.590 87 1HG1 VAL 76 2HG1 VAL 76 -5.935 1.657 1.657 88 2HG1 VAL 76 1HG1 VAL 76 -6.990 2.356 2.356 89 3HG1 VAL 76 3HG1 VAL 76 -7.209 2.780 2.780 90 1HG2 VAL 76 2HG2 VAL 76 -3.797 2.859 2.859 91 2HG2 VAL 76 1HG2 VAL 76 -4.242 4.454 4.454 92 3HG2 VAL 76 3HG2 VAL 76 -5.192 3.043 3.043 93 H ARG 77 H ARG 77 -6.400 3.798 3.798 94 HA ARG 77 HA ARG 77 -6.065 1.072 1.072 95 1HB ARG 77 1HB ARG 77 -7.973 2.979 2.979 96 2HB ARG 77 2HB ARG 77 -7.229 2.793 2.793 97 1HG ARG 77 2HG ARG 77 -8.105 0.755 0.755 98 2HG ARG 77 1HG ARG 77 -7.853 0.273 0.273 99 1HD ARG 77 1HD ARG 77 -9.837 1.314 1.314 100 2HD ARG 77 2HD ARG 77 -9.985 2.234 2.234 101 HE ARG 77 HE ARG 77 -10.901 -0.432 -0.432 102 1HH1 ARG 77 1HH1 ARG 77 -9.750 1.761 1.761 103 2HH1 ARG 77 2HH1 ARG 77 -10.548 0.939 0.939 104 1HH2 ARG 77 1HH2 ARG 77 -11.957 -1.525 -1.525 105 2HH2 ARG 77 2HH2 ARG 77 -11.803 -0.930 -0.930 106 H SER 78 H SER 78 -4.997 4.076 4.076 107 HA SER 78 HA SER 78 -3.519 2.554 2.554 108 1HB SER 78 2HB SER 78 -3.900 5.533 5.533 109 2HB SER 78 1HB SER 78 -2.981 4.807 4.807 110 HG SER 78 HG SER 78 -5.082 3.572 3.572 111 H ALA 79 H ALA 79 -2.811 2.793 2.793 112 HA ALA 79 HA ALA 79 -0.939 2.927 2.927 113 1HB ALA 79 2HB ALA 79 -0.026 2.066 2.066 114 2HB ALA 79 1HB ALA 79 1.231 2.735 2.735 115 3HB ALA 79 3HB ALA 79 0.270 1.362 1.362 116 H THR 80 H THR 80 -0.990 4.981 4.981 117 HA THR 80 HA THR 80 1.072 6.739 6.739 118 HB THR 80 HB THR 80 0.013 7.387 7.387 119 HG1 THR 80 1HG THR 80 -0.290 9.481 9.481 120 1HG2 THR 80 1HG2 THR 80 -2.583 7.533 7.533 121 2HG2 THR 80 3HG2 THR 80 -2.337 8.044 8.044 122 3HG2 THR 80 2HG2 THR 80 -2.139 6.348 6.348 123 H CYS 81 H CYS 81 -2.084 6.286 6.286 124 HA CYS 81 HA CYS 81 -2.462 8.450 8.450 125 1HB CYS 81 1HB CYS 81 -4.081 6.833 6.833 126 2HB CYS 81 2HB CYS 81 -2.917 5.530 5.530 127 HG CYS 81 HG CYS 81 -3.929 5.891 5.891 128 H SER 82 H SER 82 -1.981 8.968 8.968 129 HA SER 82 HA SER 82 0.042 7.914 7.914 130 1HB SER 82 2HB SER 82 1.547 10.160 10.160 131 2HB SER 82 1HB SER 82 1.953 8.470 8.470 132 HG SER 82 HG SER 82 1.736 10.100 10.100 133 H PHE 83 H PHE 83 0.288 9.083 9.083 134 HA PHE 83 HA PHE 83 -0.625 11.804 11.804 135 1HB PHE 83 1HB PHE 83 -2.269 9.568 9.568 136 2HB PHE 83 2HB PHE 83 -2.438 11.263 11.263 137 HD1 PHE 83 HD1 PHE 83 -3.076 12.918 12.918 138 HD2 PHE 83 HD2 PHE 83 -3.384 8.702 8.702 139 HE1 PHE 83 HE1 PHE 83 -4.646 13.255 13.255 140 HE2 PHE 83 HE2 PHE 83 -4.955 9.031 9.031 141 HZ PHE 83 HZ PHE 83 -5.586 11.310 11.310 142 H SER 84 H SER 84 -0.080 12.786 12.786 143 HA SER 84 HA SER 84 2.193 11.994 11.994 144 1HB SER 84 1HB SER 84 1.345 14.240 14.240 145 2HB SER 84 2HB SER 84 -0.081 13.653 13.653 146 HG SER 84 HG SER 84 2.603 13.702 13.702 147 H VAL 85 H VAL 85 2.467 11.409 11.409 148 HA VAL 85 HA VAL 85 0.454 9.982 9.982 149 HB VAL 85 HB VAL 85 0.837 8.418 8.418 150 1HG1 VAL 85 2HG2 VAL 85 3.231 8.803 8.803 151 2HG1 VAL 85 1HG2 VAL 85 3.557 8.062 8.062 152 3HG1 VAL 85 3HG2 VAL 85 2.891 7.091 7.091 153 1HG2 VAL 85 2HG1 VAL 85 0.106 7.769 7.769 154 2HG2 VAL 85 1HG1 VAL 85 0.673 6.486 6.486 155 3HG2 VAL 85 3HG1 VAL 85 1.738 7.126 7.126 156 H LYS 86 H LYS 86 1.237 8.908 8.908 157 HA LYS 86 HA LYS 86 3.908 9.847 9.847 158 1HB LYS 86 2HB LYS 86 1.412 9.645 9.645 159 2HB LYS 86 1HB LYS 86 3.000 10.122 10.122 160 1HG LYS 86 2HG LYS 86 2.846 11.987 11.987 161 2HG LYS 86 1HG LYS 86 1.123 11.613 11.613 162 1HD LYS 86 2HD LYS 86 1.270 11.852 11.852 163 2HD LYS 86 1HD LYS 86 2.799 12.675 12.675 164 1HE LYS 86 2HE LYS 86 0.334 13.502 13.502 165 2HE LYS 86 1HE LYS 86 0.587 14.046 14.046 166 1HZ LYS 86 1HZ LYS 86 2.766 14.922 14.922 167 2HZ LYS 86 3HZ LYS 86 2.378 14.521 14.521 168 3HZ LYS 86 2HZ LYS 86 1.461 15.675 15.675 169 H TYR 87 H TYR 87 4.286 7.592 7.592 170 HA TYR 87 HA TYR 87 3.466 5.243 5.243 171 1HB TYR 87 1HB TYR 87 4.623 5.291 5.291 172 2HB TYR 87 2HB TYR 87 6.099 5.835 5.835 173 HD1 TYR 87 HD2 TYR 87 3.748 3.170 3.170 174 HD2 TYR 87 HD1 TYR 87 7.606 4.106 4.106 175 HE1 TYR 87 HE2 TYR 87 4.435 0.832 0.832 176 HE2 TYR 87 HE1 TYR 87 8.305 1.770 1.770 177 HH TYR 87 HH2 TYR 87 6.389 -0.497 -0.497 178 H LEU 88 H LEU 88 3.786 4.477 4.477 179 HA LEU 88 HA LEU 88 5.396 5.719 5.719 180 1HB LEU 88 2HB LEU 88 4.018 3.063 3.063 181 2HB LEU 88 1HB LEU 88 5.070 3.430 3.430 182 HG LEU 88 HG LEU 88 3.668 5.388 5.388 183 1HD1 LEU 88 2HD2 LEU 88 2.845 5.817 5.817 184 2HD1 LEU 88 1HD2 LEU 88 1.852 4.362 4.362 185 3HD1 LEU 88 3HD2 LEU 88 1.541 5.723 5.723 186 1HD2 LEU 88 2HD1 LEU 88 2.600 2.616 2.616 187 2HD2 LEU 88 1HD1 LEU 88 3.021 3.643 3.643 188 3HD2 LEU 88 3HD1 LEU 88 1.517 3.918 3.918 189 H GLY 89 H GLY 89 5.961 2.883 2.883 190 1HA GLY 89 2HA GLY 89 8.495 2.928 2.928 191 2HA GLY 89 1HA GLY 89 8.663 2.621 2.621 192 H CYS 90 H CYS 90 9.822 0.745 0.745 193 HA CYS 90 HA CYS 90 7.892 -1.389 -1.389 194 1HB CYS 90 2HB CYS 90 10.871 -1.391 -1.391 195 2HB CYS 90 1HB CYS 90 9.699 -2.565 -2.565 196 HG CYS 90 HG CYS 90 10.324 0.113 0.113 197 H VAL 91 H VAL 91 7.862 -3.294 -3.294 198 HA VAL 91 HA VAL 91 9.697 -3.610 -3.610 199 HB VAL 91 HB VAL 91 7.131 -2.684 -2.684 200 1HG1 VAL 91 1HG2 VAL 91 6.435 -5.133 -5.133 201 2HG1 VAL 91 3HG2 VAL 91 6.937 -5.430 -5.430 202 3HG1 VAL 91 2HG2 VAL 91 5.666 -4.256 -4.256 203 1HG2 VAL 91 1HG1 VAL 91 9.064 -4.000 -4.000 204 2HG2 VAL 91 3HG1 VAL 91 8.688 -2.289 -2.289 205 3HG2 VAL 91 2HG1 VAL 91 7.528 -3.362 -3.362 206 H GLU 92 H GLU 92 9.328 -5.859 -5.859 207 HA GLU 92 HA GLU 92 9.123 -7.807 -7.807 208 1HB GLU 92 1HB GLU 92 11.331 -7.503 -7.503 209 2HB GLU 92 2HB GLU 92 10.540 -8.238 -8.238 210 1HG GLU 92 1HG GLU 92 10.602 -10.303 -10.303 211 2HG GLU 92 2HG GLU 92 10.316 -9.727 -9.727 212 H VAL 93 H VAL 93 8.053 -9.779 -9.779 213 HA VAL 93 HA VAL 93 6.600 -10.194 -10.194 214 HB VAL 93 HB VAL 93 4.442 -10.565 -10.565 215 1HG1 VAL 93 3HG1 VAL 93 5.649 -7.826 -7.826 216 2HG1 VAL 93 2HG1 VAL 93 3.962 -8.074 -8.074 217 3HG1 VAL 93 1HG1 VAL 93 4.558 -8.654 -8.654 218 1HG2 VAL 93 3HG2 VAL 93 5.555 -10.628 -10.628 219 2HG2 VAL 93 2HG2 VAL 93 4.107 -9.627 -9.627 220 3HG2 VAL 93 1HG2 VAL 93 5.701 -8.874 -8.874 221 H PHE 94 H PHE 94 5.229 -12.283 -12.283 222 HA PHE 94 HA PHE 94 7.015 -14.303 -14.303 223 1HB PHE 94 2HB PHE 94 4.503 -14.551 -14.551 224 2HB PHE 94 1HB PHE 94 5.542 -15.896 -15.896 225 HD1 PHE 94 HD1 PHE 94 8.168 -14.305 -14.305 226 HD2 PHE 94 HD2 PHE 94 4.736 -14.854 -14.854 227 HE1 PHE 94 HE1 PHE 94 9.545 -13.922 -13.922 228 HE2 PHE 94 HE2 PHE 94 6.107 -14.472 -14.472 229 HZ PHE 94 HZ PHE 94 8.515 -14.005 -14.005 230 H GLU 95 H GLU 95 3.989 -12.827 -12.827 231 HA GLU 95 HA GLU 95 3.735 -14.647 -14.647 232 1HB GLU 95 1HB GLU 95 1.491 -13.680 -13.680 233 2HB GLU 95 2HB GLU 95 1.250 -14.482 -14.482 234 1HG GLU 95 2HG GLU 95 1.030 -16.257 -16.257 235 2HG GLU 95 1HG GLU 95 2.766 -16.327 -16.327 236 H SER 96 H SER 96 3.001 -13.742 -13.742 237 HA SER 96 HA SER 96 2.495 -10.848 -10.848 238 1HB SER 96 2HB SER 96 4.809 -12.078 -12.078 239 2HB SER 96 1HB SER 96 3.827 -11.660 -11.660 240 HG SER 96 HG SER 96 5.214 -9.948 -9.948 241 H ARG 97 H ARG 97 0.783 -13.282 -13.282 242 HA ARG 97 HA ARG 97 -0.600 -12.538 -12.538 243 1HB ARG 97 2HB ARG 97 -0.472 -15.412 -15.412 244 2HB ARG 97 1HB ARG 97 -0.917 -14.756 -14.756 245 1HG ARG 97 1HG ARG 97 1.319 -14.286 -14.286 246 2HG ARG 97 2HG ARG 97 1.861 -14.509 -14.509 247 1HD ARG 97 1HD ARG 97 0.636 -16.726 -16.726 248 2HD ARG 97 2HD ARG 97 2.368 -16.394 -16.394 249 HE ARG 97 HE ARG 97 1.255 -16.712 -16.712 250 1HH1 ARG 97 1HH1 ARG 97 2.586 -18.364 -18.364 251 2HH1 ARG 97 2HH1 ARG 97 3.090 -19.749 -19.749 252 1HH2 ARG 97 1HH2 ARG 97 1.914 -18.531 -18.531 253 2HH2 ARG 97 2HH2 ARG 97 2.707 -19.845 -19.845 254 H GLY 98 H GLY 98 -0.956 -12.020 -12.020 255 1HA GLY 98 1HA GLY 98 -3.760 -12.909 -12.909 256 2HA GLY 98 2HA GLY 98 -2.717 -13.122 -13.122 257 H MET 99 H MET 99 -5.137 -11.320 -11.320 258 HA MET 99 HA MET 99 -4.367 -8.651 -8.651 259 1HB MET 99 2HB MET 99 -6.649 -9.715 -9.715 260 2HB MET 99 1HB MET 99 -7.004 -9.631 -9.631 261 1HG MET 99 1HG MET 99 -5.975 -7.116 -7.116 262 2HG MET 99 2HG MET 99 -7.233 -7.603 -7.603 263 1HE MET 99 3HE MET 99 -6.327 -5.705 -5.705 264 2HE MET 99 2HE MET 99 -7.897 -4.987 -4.987 265 3HE MET 99 1HE MET 99 -7.152 -6.097 -6.097 266 H GLN 100 H GLN 100 -5.191 -11.031 -11.031 267 HA GLN 100 HA GLN 100 -5.419 -9.376 -9.376 268 1HB GLN 100 1HB GLN 100 -4.301 -12.178 -12.178 269 2HB GLN 100 2HB GLN 100 -4.703 -11.375 -11.375 270 1HG GLN 100 2HG GLN 100 -7.045 -11.124 -11.124 271 2HG GLN 100 1HG GLN 100 -6.566 -12.210 -12.210 272 1HE2 GLN 100 2HE2 GLN 100 -8.146 -14.329 -14.329 273 2HE2 GLN 100 1HE2 GLN 100 -8.587 -13.089 -13.089 274 H VAL 101 H VAL 101 -2.547 -10.555 -10.555 275 HA VAL 101 HA VAL 101 -0.662 -9.844 -9.844 276 HB VAL 101 HB VAL 101 -0.277 -10.026 -10.026 277 1HG1 VAL 101 2HG1 VAL 101 1.470 -9.073 -9.073 278 2HG1 VAL 101 1HG1 VAL 101 2.053 -10.669 -10.669 279 3HG1 VAL 101 3HG1 VAL 101 1.836 -9.412 -9.412 280 1HG2 VAL 101 1HG2 VAL 101 -1.113 -12.057 -12.057 281 2HG2 VAL 101 3HG2 VAL 101 0.164 -12.272 -12.272 282 3HG2 VAL 101 2HG2 VAL 101 0.573 -12.129 -12.129 283 H CYS 102 H CYS 102 -2.281 -8.024 -8.024 284 HA CYS 102 HA CYS 102 -0.571 -5.771 -5.771 285 1HB CYS 102 2HB CYS 102 -3.498 -6.037 -6.037 286 2HB CYS 102 1HB CYS 102 -2.531 -4.598 -4.598 287 HG CYS 102 HG CYS 102 -2.530 -5.973 -5.973 288 H GLU 103 H GLU 103 -3.520 -6.531 -6.531 289 HA GLU 103 HA GLU 103 -3.886 -4.086 -4.086 290 1HB GLU 103 2HB GLU 103 -4.895 -6.755 -6.755 291 2HB GLU 103 1HB GLU 103 -4.550 -6.127 -6.127 292 1HG GLU 103 2HG GLU 103 -6.181 -4.630 -4.630 293 2HG GLU 103 1HG GLU 103 -6.880 -5.747 -5.747 294 H GLU 104 H GLU 104 -1.962 -6.884 -6.884 295 HA GLU 104 HA GLU 104 -1.033 -5.590 -5.590 296 1HB GLU 104 1HB GLU 104 0.358 -7.546 -7.546 297 2HB GLU 104 2HB GLU 104 -1.248 -8.053 -8.053 298 1HG GLU 104 1HG GLU 104 -0.484 -8.476 -8.476 299 2HG GLU 104 2HG GLU 104 1.097 -7.786 -7.786 300 H ALA 105 H ALA 105 0.128 -5.962 -5.962 301 HA ALA 105 HA ALA 105 2.807 -5.220 -5.220 302 1HB ALA 105 3HB ALA 105 1.957 -6.272 -6.272 303 2HB ALA 105 2HB ALA 105 1.142 -4.764 -4.764 304 3HB ALA 105 1HB ALA 105 2.902 -4.817 -4.817 305 H LEU 106 H LEU 106 0.136 -3.218 -3.218 306 HA LEU 106 HA LEU 106 1.369 -0.789 -0.789 307 1HB LEU 106 1HB LEU 106 -1.163 -1.622 -1.622 308 2HB LEU 106 2HB LEU 106 -1.354 -0.770 -0.770 309 HG LEU 106 HG LEU 106 0.091 0.699 0.699 310 1HD1 LEU 106 3HD1 LEU 106 -2.633 -0.370 -0.370 311 2HD1 LEU 106 2HD1 LEU 106 -2.418 1.344 1.344 312 3HD1 LEU 106 1HD1 LEU 106 -1.441 0.141 0.141 313 1HD2 LEU 106 2HD2 LEU 106 -1.040 1.283 1.283 314 2HD2 LEU 106 1HD2 LEU 106 -0.508 2.451 2.451 315 3HD2 LEU 106 3HD2 LEU 106 -2.195 1.941 1.941 316 H LYS 107 H LYS 107 0.139 -2.404 -2.404 317 HA LYS 107 HA LYS 107 0.415 -0.212 -0.212 318 1HB LYS 107 1HB LYS 107 -0.979 -2.062 -2.062 319 2HB LYS 107 2HB LYS 107 0.355 -3.194 -3.194 320 1HG LYS 107 2HG LYS 107 0.782 -0.998 -0.998 321 2HG LYS 107 1HG LYS 107 -0.478 -2.156 -2.156 322 1HD LYS 107 2HD LYS 107 1.752 -3.624 -3.624 323 2HD LYS 107 1HD LYS 107 2.347 -2.437 -2.437 324 1HE LYS 107 1HE LYS 107 0.375 -3.249 -3.249 325 2HE LYS 107 2HE LYS 107 0.368 -4.651 -4.651 326 1HZ LYS 107 3HZ LYS 107 2.735 -4.975 -4.975 327 2HZ LYS 107 2HZ LYS 107 2.633 -3.712 -3.712 328 3HZ LYS 107 1HZ LYS 107 1.721 -5.119 -5.119 329 H VAL 108 H VAL 108 2.567 -2.846 -2.846 330 HA VAL 108 HA VAL 108 4.635 -2.244 -2.244 331 HB VAL 108 HB VAL 108 5.199 -3.507 -3.507 332 1HG1 VAL 108 3HG1 VAL 108 6.366 -3.506 -3.506 333 2HG1 VAL 108 2HG1 VAL 108 6.456 -5.014 -5.014 334 3HG1 VAL 108 1HG1 VAL 108 7.157 -3.540 -3.540 335 1HG2 VAL 108 1HG2 VAL 108 3.246 -4.430 -4.430 336 2HG2 VAL 108 3HG2 VAL 108 3.586 -5.012 -5.012 337 3HG2 VAL 108 2HG2 VAL 108 4.532 -5.608 -5.608 338 H LEU 109 H LEU 109 3.831 -1.068 -1.068 339 HA LEU 109 HA LEU 109 6.269 0.153 0.153 340 1HB LEU 109 1HB LEU 109 3.421 0.638 0.638 341 2HB LEU 109 2HB LEU 109 4.675 1.745 1.745 342 HG LEU 109 HG LEU 109 4.284 0.161 0.161 343 1HD1 LEU 109 1HD2 LEU 109 6.688 0.793 0.793 344 2HD1 LEU 109 3HD2 LEU 109 6.775 -0.911 -0.911 345 3HD1 LEU 109 2HD2 LEU 109 6.453 -0.450 -0.450 346 1HD2 LEU 109 3HD1 LEU 109 4.761 -1.960 -1.960 347 2HD2 LEU 109 2HD1 LEU 109 3.242 -1.614 -1.614 348 3HD2 LEU 109 1HD1 LEU 109 4.613 -2.258 -2.258 349 H ARG 110 H ARG 110 3.936 0.971 0.971 350 HA ARG 110 HA ARG 110 4.890 3.729 3.729 351 1HB ARG 110 2HB ARG 110 2.422 3.139 3.139 352 2HB ARG 110 1HB ARG 110 2.759 2.407 2.407 353 1HG ARG 110 1HG ARG 110 3.881 4.884 4.884 354 2HG ARG 110 2HG ARG 110 2.474 5.216 5.216 355 1HD ARG 110 1HD ARG 110 1.959 3.411 3.411 356 2HD ARG 110 2HD ARG 110 2.437 5.043 5.043 357 HE ARG 110 HE ARG 110 -0.034 4.243 4.243 358 1HH1 ARG 110 1HH1 ARG 110 2.184 6.870 6.870 359 2HH1 ARG 110 2HH1 ARG 110 0.988 8.100 8.100 360 1HH2 ARG 110 2HH2 ARG 110 -1.619 5.854 5.854 361 2HH2 ARG 110 1HH2 ARG 110 -1.176 7.523 7.523 362 H GLN 111 H GLN 111 4.609 0.779 0.779 363 HA GLN 111 HA GLN 111 5.874 1.785 1.785 364 1HB GLN 111 1HB GLN 111 5.391 -0.979 -0.979 365 2HB GLN 111 2HB GLN 111 6.335 -0.740 -0.740 366 1HG GLN 111 1HG GLN 111 3.714 0.613 0.613 367 2HG GLN 111 2HG GLN 111 3.704 -1.144 -1.144 368 1HE2 GLN 111 2HE2 GLN 111 4.951 -1.218 -1.218 369 2HE2 GLN 111 1HE2 GLN 111 4.771 -2.101 -2.101 370 H SER 112 H SER 112 7.096 0.459 0.459 371 HA SER 112 HA SER 112 9.805 0.248 0.248 372 1HB SER 112 1HB SER 112 8.378 -0.986 -0.986 373 2HB SER 112 2HB SER 112 9.619 -0.016 -0.016 374 HG SER 112 HG SER 112 11.173 -1.147 -1.147 375 H ARG 113 H ARG 113 11.563 1.176 1.176 376 HA ARG 113 HA ARG 113 11.506 3.951 3.951 377 1HB ARG 113 2HB ARG 113 13.449 3.810 3.810 378 2HB ARG 113 1HB ARG 113 13.627 2.923 2.923 379 1HG ARG 113 2HG ARG 113 14.021 1.070 1.070 380 2HG ARG 113 1HG ARG 113 12.426 1.183 1.183 381 1HD ARG 113 2HD ARG 113 13.273 1.869 1.869 382 2HD ARG 113 1HD ARG 113 14.354 3.022 3.022 383 HE ARG 113 HE ARG 113 16.028 1.529 1.529 384 1HH1 ARG 113 1HH1 ARG 113 13.033 -0.233 -0.233 385 2HH1 ARG 113 2HH1 ARG 113 13.768 -1.774 -1.774 386 1HH2 ARG 113 1HH2 ARG 113 17.007 -0.494 -0.494 387 2HH2 ARG 113 2HH2 ARG 113 16.028 -1.923 -1.923 388 H ARG 114 H ARG 114 10.169 1.826 1.826 389 HA ARG 114 HA ARG 114 10.139 3.207 3.207 390 1HB ARG 114 2HB ARG 114 7.906 1.666 1.666 391 2HB ARG 114 1HB ARG 114 7.821 2.234 2.234 392 1HG ARG 114 1HG ARG 114 9.895 0.339 0.339 393 2HG ARG 114 2HG ARG 114 8.468 -0.128 -0.128 394 1HD ARG 114 2HD ARG 114 9.397 0.464 0.464 395 2HD ARG 114 1HD ARG 114 10.090 1.941 1.941 396 HE ARG 114 HE ARG 114 11.476 -0.372 -0.372 397 1HH1 ARG 114 2HH2 ARG 114 11.114 1.769 1.769 398 2HH1 ARG 114 1HH2 ARG 114 12.707 1.471 1.471 399 1HH2 ARG 114 2HH1 ARG 114 13.574 -0.772 -0.772 400 2HH2 ARG 114 1HH1 ARG 114 14.106 0.026 0.026 401 H ARG 115 H ARG 115 9.737 5.285 5.285 402 HA ARG 115 HA ARG 115 7.467 6.560 6.560 403 1HB ARG 115 1HB ARG 115 8.684 8.641 8.641 404 2HB ARG 115 2HB ARG 115 9.660 7.381 7.381 405 1HG ARG 115 2HG ARG 115 10.735 7.192 7.192 406 2HG ARG 115 1HG ARG 115 10.062 8.806 8.806 407 1HD ARG 115 1HD ARG 115 11.388 9.739 9.739 408 2HD ARG 115 2HD ARG 115 11.649 8.191 8.191 409 HE ARG 115 HE ARG 115 13.271 9.337 9.337 410 1HH1 ARG 115 1HH1 ARG 115 11.990 6.285 6.285 411 2HH1 ARG 115 2HH1 ARG 115 13.296 5.356 5.356 412 1HH2 ARG 115 1HH2 ARG 115 14.998 8.125 8.125 413 2HH2 ARG 115 2HH2 ARG 115 15.008 6.403 6.403 414 HA PRO 116 HA PRO 116 5.559 7.534 7.534 415 1HB PRO 116 2HB PRO 116 5.427 10.323 10.323 416 2HB PRO 116 1HB PRO 116 4.148 9.324 9.324 417 1HG PRO 116 1HG PRO 116 4.292 9.685 9.685 418 2HG PRO 116 2HG PRO 116 3.848 8.107 8.107 419 1HD PRO 116 2HD PRO 116 6.411 8.985 8.985 420 2HD PRO 116 1HD PRO 116 5.629 7.392 7.392 421 H VAL 117 H VAL 117 5.894 8.651 8.651 422 HA VAL 117 HA VAL 117 8.367 10.238 10.238 423 HB VAL 117 HB VAL 117 8.751 7.912 7.912 424 1HG1 VAL 117 2HG2 VAL 117 6.388 7.723 7.723 425 2HG1 VAL 117 1HG2 VAL 117 6.996 8.620 8.620 426 3HG1 VAL 117 3HG2 VAL 117 7.698 7.056 7.056 427 1HG2 VAL 117 1HG1 VAL 117 9.455 10.362 10.362 428 2HG2 VAL 117 3HG1 VAL 117 10.316 8.826 8.826 429 3HG2 VAL 117 2HG1 VAL 117 9.121 9.245 9.245 430 H ARG 118 H ARG 118 7.842 12.219 12.219 431 HA ARG 118 HA ARG 118 5.389 12.846 12.846 432 1HB ARG 118 2HB ARG 118 6.780 14.363 14.363 433 2HB ARG 118 1HB ARG 118 7.830 14.616 14.616 434 1HG ARG 118 2HG ARG 118 5.259 15.092 15.092 435 2HG ARG 118 1HG ARG 118 5.303 15.840 15.840 436 1HD ARG 118 1HD ARG 118 7.719 16.570 16.570 437 2HD ARG 118 2HD ARG 118 6.645 16.614 16.614 438 HE ARG 118 HE ARG 118 5.375 17.935 17.935 439 1HH1 ARG 118 1HH1 ARG 118 8.171 18.309 18.309 440 2HH1 ARG 118 2HH1 ARG 118 8.162 20.040 20.040 441 1HH2 ARG 118 1HH2 ARG 118 5.354 20.215 20.215 442 2HH2 ARG 118 2HH2 ARG 118 6.561 21.122 21.122 443 H GLY 119 H GLY 119 5.966 11.081 11.081 444 1HA GLY 119 2HA GLY 119 7.328 12.405 12.405 445 2HA GLY 119 1HA GLY 119 7.342 10.667 10.667 446 H LEU 120 H LEU 120 6.345 9.961 9.961 447 HA LEU 120 HA LEU 120 3.511 10.609 10.609 448 1HB LEU 120 1HB LEU 120 4.395 12.145 12.145 449 2HB LEU 120 2HB LEU 120 5.574 10.993 10.993 450 HG LEU 120 HG LEU 120 3.003 9.891 9.891 451 1HD1 LEU 120 1HD2 LEU 120 2.214 12.238 12.238 452 2HD1 LEU 120 3HD2 LEU 120 3.250 12.684 12.684 453 3HD1 LEU 120 2HD2 LEU 120 1.925 11.545 11.545 454 1HD2 LEU 120 3HD1 LEU 120 5.429 10.118 10.118 455 2HD2 LEU 120 2HD1 LEU 120 3.972 9.412 9.412 456 3HD2 LEU 120 1HD1 LEU 120 4.372 11.100 11.100 457 H LEU 121 H LEU 121 2.262 8.937 8.937 458 HA LEU 121 HA LEU 121 3.557 6.354 6.354 459 1HB LEU 121 1HB LEU 121 1.361 7.091 7.091 460 2HB LEU 121 2HB LEU 121 0.599 6.658 6.658 461 HG LEU 121 HG LEU 121 0.802 4.922 4.922 462 1HD1 LEU 121 2HD1 LEU 121 1.204 4.462 4.462 463 2HD1 LEU 121 1HD1 LEU 121 1.064 3.118 3.118 464 3HD1 LEU 121 3HD1 LEU 121 -0.258 4.275 4.275 465 1HD2 LEU 121 2HD2 LEU 121 3.261 5.164 5.164 466 2HD2 LEU 121 1HD2 LEU 121 2.730 3.510 3.510 467 3HD2 LEU 121 3HD2 LEU 121 3.432 4.461 4.461 468 H HIS 122 H HIS 122 4.282 5.955 5.955 469 HA HIS 122 HA HIS 122 3.001 6.939 6.939 470 1HB HIS 122 2HB HIS 122 5.261 5.008 5.008 471 2HB HIS 122 1HB HIS 122 4.636 5.285 5.285 472 HD1 HIS 122 HD1 HIS 122 6.034 6.936 6.936 473 HD2 HIS 122 HD2 HIS 122 5.860 7.750 7.750 474 HE1 HIS 122 HE1 HIS 122 7.439 9.006 9.006 475 H VAL 123 H VAL 123 1.212 6.145 6.145 476 HA VAL 123 HA VAL 123 0.718 3.248 3.248 477 HB VAL 123 HB VAL 123 -1.351 5.417 5.417 478 1HG1 VAL 123 1HG1 VAL 123 -2.094 3.340 3.340 479 2HG1 VAL 123 3HG1 VAL 123 -1.721 2.444 2.444 480 3HG1 VAL 123 2HG1 VAL 123 -2.959 3.700 3.700 481 1HG2 VAL 123 1HG2 VAL 123 0.178 5.070 5.070 482 2HG2 VAL 123 3HG2 VAL 123 -1.506 4.681 4.681 483 3HG2 VAL 123 2HG2 VAL 123 -0.344 3.386 3.386 484 H SER 124 H SER 124 1.428 3.024 3.024 485 HA SER 124 HA SER 124 -0.400 4.237 4.237 486 1HB SER 124 1HB SER 124 2.420 3.323 3.323 487 2HB SER 124 2HB SER 124 1.378 4.324 4.324 488 HG SER 124 HG SER 124 1.934 6.021 6.021 489 H GLY 125 H GLY 125 -1.241 1.936 1.936 490 1HA GLY 125 2HA GLY 125 -1.708 -0.321 -0.321 491 2HA GLY 125 1HA GLY 125 -2.147 0.324 0.324 492 H ASP 126 H ASP 126 0.843 -0.635 -0.635 493 HA ASP 126 HA ASP 126 1.470 -2.742 -2.742 494 1HB ASP 126 1HB ASP 126 1.727 -0.563 -0.563 495 2HB ASP 126 2HB ASP 126 3.280 -0.452 -0.452 496 H GLY 127 H GLY 127 2.723 -0.135 -0.135 497 1HA GLY 127 2HA GLY 127 4.043 -1.964 -1.964 498 2HA GLY 127 1HA GLY 127 5.203 -1.163 -1.163 499 H LEU 128 H LEU 128 3.927 -1.054 -1.054 500 HA LEU 128 HA LEU 128 3.513 1.775 1.775 501 1HB LEU 128 1HB LEU 128 3.887 -0.348 -0.348 502 2HB LEU 128 2HB LEU 128 3.335 1.291 1.291 503 HG LEU 128 HG LEU 128 1.808 -0.493 -0.493 504 1HD1 LEU 128 1HD1 LEU 128 2.193 -0.916 -0.916 505 2HD1 LEU 128 3HD1 LEU 128 0.499 -0.647 -0.647 506 3HD1 LEU 128 2HD1 LEU 128 1.404 -1.940 -1.940 507 1HD2 LEU 128 3HD2 LEU 128 1.351 2.013 2.013 508 2HD2 LEU 128 2HD2 LEU 128 0.873 1.579 1.579 509 3HD2 LEU 128 1HD2 LEU 128 -0.023 0.939 0.939 510 H ARG 129 H ARG 129 4.844 3.266 3.266 511 HA ARG 129 HA ARG 129 7.479 2.476 2.476 512 1HB ARG 129 1HB ARG 129 7.214 4.398 4.398 513 2HB ARG 129 2HB ARG 129 8.708 3.855 3.855 514 1HG ARG 129 2HG ARG 129 8.234 1.563 1.563 515 2HG ARG 129 1HG ARG 129 6.778 2.154 2.154 516 1HD ARG 129 2HD ARG 129 7.941 3.169 3.169 517 2HD ARG 129 1HD ARG 129 9.320 3.536 3.536 518 HE ARG 129 HE ARG 129 9.423 0.842 0.842 519 1HH1 ARG 129 1HH1 ARG 129 9.221 3.454 3.454 520 2HH1 ARG 129 2HH1 ARG 129 10.086 2.608 2.608 521 1HH2 ARG 129 1HH2 ARG 129 10.565 -0.283 -0.283 522 2HH2 ARG 129 2HH2 ARG 129 10.851 0.481 0.481 523 H VAL 130 H VAL 130 7.079 3.383 3.383 524 HA VAL 130 HA VAL 130 6.130 6.121 6.121 525 HB VAL 130 HB VAL 130 5.251 4.604 4.604 526 1HG1 VAL 130 3HG2 VAL 130 8.009 3.676 3.676 527 2HG1 VAL 130 2HG2 VAL 130 7.267 3.866 3.866 528 3HG1 VAL 130 1HG2 VAL 130 6.508 2.831 2.831 529 1HG2 VAL 130 3HG1 VAL 130 6.161 7.005 7.005 530 2HG2 VAL 130 2HG1 VAL 130 5.459 5.930 5.930 531 3HG2 VAL 130 1HG1 VAL 130 7.211 6.060 6.060 532 H VAL 131 H VAL 131 7.503 7.760 7.760 533 HA VAL 131 HA VAL 131 10.257 7.417 7.417 534 HB VAL 131 HB VAL 131 10.195 7.566 7.566 535 1HG1 VAL 131 2HG2 VAL 131 8.214 9.475 9.475 536 2HG1 VAL 131 1HG2 VAL 131 9.578 10.374 10.374 537 3HG1 VAL 131 3HG2 VAL 131 8.907 9.007 9.007 538 1HG2 VAL 131 1HG1 VAL 131 11.477 9.726 9.726 539 2HG2 VAL 131 3HG1 VAL 131 12.212 8.329 8.329 540 3HG2 VAL 131 2HG1 VAL 131 11.672 9.703 9.703 541 H ASP 132 H ASP 132 11.056 8.942 8.942 542 HA ASP 132 HA ASP 132 9.275 10.756 10.756 543 1HB ASP 132 2HB ASP 132 11.312 9.621 9.621 544 2HB ASP 132 1HB ASP 132 12.287 10.823 10.823 545 H ASP 133 H ASP 133 9.392 13.052 13.052 546 HA ASP 133 HA ASP 133 10.244 14.219 14.219 547 1HB ASP 133 2HB ASP 133 7.877 14.465 14.465 548 2HB ASP 133 1HB ASP 133 8.697 15.774 15.774 549 H GLU 134 H GLU 134 12.011 13.588 13.588 550 HA GLU 134 HA GLU 134 13.170 16.281 16.281 551 1HB GLU 134 1HB GLU 134 12.089 15.275 15.275 552 2HB GLU 134 2HB GLU 134 13.440 14.149 14.149 553 1HG GLU 134 1HG GLU 134 14.578 15.647 15.647 554 2HG GLU 134 2HG GLU 134 14.608 16.656 16.656 555 H THR 135 H THR 135 13.818 12.796 12.796 556 HA THR 135 HA THR 135 16.605 13.326 13.326 557 HB THR 135 HB THR 135 17.030 10.983 10.983 558 HG1 THR 135 1HG THR 135 15.436 9.658 9.658 559 1HG2 THR 135 3HG2 THR 135 17.027 12.766 12.766 560 2HG2 THR 135 2HG2 THR 135 15.421 12.190 12.190 561 3HG2 THR 135 1HG2 THR 135 16.808 11.107 11.107 562 H LYS 136 H LYS 136 13.609 12.028 12.028 563 HA LYS 136 HA LYS 136 12.925 11.323 11.323 564 1HB LYS 136 2HB LYS 136 15.086 13.085 13.085 565 2HB LYS 136 1HB LYS 136 15.272 11.707 11.707 566 1HG LYS 136 1HG LYS 136 13.994 13.362 13.362 567 2HG LYS 136 2HG LYS 136 12.907 12.037 12.037 568 1HD LYS 136 2HD LYS 136 12.048 13.282 13.282 569 2HD LYS 136 1HD LYS 136 13.211 14.577 14.577 570 1HE LYS 136 1HE LYS 136 12.177 14.960 14.960 571 2HE LYS 136 2HE LYS 136 10.969 13.734 13.734 572 1HZ LYS 136 1HZ LYS 136 10.354 15.112 15.112 573 2HZ LYS 136 3HZ LYS 136 11.393 16.322 16.322 574 3HZ LYS 136 2HZ LYS 136 10.051 15.864 15.864 575 H GLY 137 H GLY 137 14.272 9.535 9.535 576 1HA GLY 137 1HA GLY 137 15.651 7.684 7.684 577 2HA GLY 137 2HA GLY 137 15.687 7.609 7.609 578 H LEU 138 H LEU 138 14.626 5.998 5.998 579 HA LEU 138 HA LEU 138 11.940 5.426 5.426 580 1HB LEU 138 1HB LEU 138 13.293 4.716 4.716 581 2HB LEU 138 2HB LEU 138 14.071 3.511 3.511 582 HG LEU 138 HG LEU 138 12.084 2.238 2.238 583 1HD1 LEU 138 2HD1 LEU 138 10.687 4.643 4.643 584 2HD1 LEU 138 1HD1 LEU 138 9.937 3.052 3.052 585 3HD1 LEU 138 3HD1 LEU 138 10.450 3.900 3.900 586 1HD2 LEU 138 2HD2 LEU 138 13.301 2.187 2.187 587 2HD2 LEU 138 1HD2 LEU 138 11.630 1.626 1.626 588 3HD2 LEU 138 3HD2 LEU 138 12.031 3.236 3.236 589 H ILE 139 H ILE 139 10.939 4.629 4.629 590 HA ILE 139 HA ILE 139 12.435 3.201 3.201 591 HB ILE 139 HB ILE 139 9.487 3.778 3.778 592 1HG1 ILE 139 1HG1 ILE 139 11.648 5.648 5.648 593 2HG1 ILE 139 2HG1 ILE 139 10.866 5.836 5.836 594 1HG2 ILE 139 2HG2 ILE 139 10.858 2.299 2.299 595 2HG2 ILE 139 1HG2 ILE 139 11.359 3.860 3.860 596 3HG2 ILE 139 3HG2 ILE 139 9.649 3.436 3.436 597 1HD1 ILE 139 1HD1 ILE 139 8.843 5.565 5.565 598 2HD1 ILE 139 3HD1 ILE 139 10.007 6.769 6.769 599 3HD1 ILE 139 2HD1 ILE 139 9.225 6.957 6.957 600 H VAL 140 H VAL 140 9.532 2.621 2.621 601 HA VAL 140 HA VAL 140 9.871 -0.254 -0.254 602 HB VAL 140 HB VAL 140 7.353 1.198 1.198 603 1HG1 VAL 140 2HG1 VAL 140 8.099 -1.626 -1.626 604 2HG1 VAL 140 1HG1 VAL 140 6.616 -1.262 -1.262 605 3HG1 VAL 140 3HG1 VAL 140 6.761 -0.825 -0.825 606 1HG2 VAL 140 2HG2 VAL 140 8.089 1.646 1.646 607 2HG2 VAL 140 1HG2 VAL 140 6.555 0.781 0.781 608 3HG2 VAL 140 3HG2 VAL 140 8.035 -0.087 -0.087 609 H ASP 141 H ASP 141 11.463 -0.323 -0.323 610 HA ASP 141 HA ASP 141 10.607 0.220 0.220 611 1HB ASP 141 1HB ASP 141 12.843 -0.566 -0.566 612 2HB ASP 141 2HB ASP 141 12.940 0.616 0.616 613 H GLN 142 H GLN 142 8.729 -1.320 -1.320 614 HA GLN 142 HA GLN 142 9.535 -3.986 -3.986 615 1HB GLN 142 2HB GLN 142 8.257 -3.362 -3.362 616 2HB GLN 142 1HB GLN 142 7.112 -4.234 -4.234 617 1HG GLN 142 1HG GLN 142 9.748 -5.438 -5.438 618 2HG GLN 142 2HG GLN 142 9.082 -5.333 -5.333 619 1HE2 GLN 142 2HE2 GLN 142 7.586 -8.400 -8.400 620 2HE2 GLN 142 1HE2 GLN 142 8.810 -7.546 -7.546 621 H THR 143 H THR 143 7.207 -5.143 -5.143 622 HA THR 143 HA THR 143 5.990 -3.369 -3.369 623 HB THR 143 HB THR 143 5.663 -6.354 -6.354 624 HG1 THR 143 1HG THR 143 7.879 -6.069 -6.069 625 1HG2 THR 143 3HG2 THR 143 5.285 -4.193 -4.193 626 2HG2 THR 143 2HG2 THR 143 6.070 -5.642 -5.642 627 3HG2 THR 143 1HG2 THR 143 4.484 -5.759 -5.759 628 H ILE 144 H ILE 144 3.649 -3.982 -3.982 629 HA ILE 144 HA ILE 144 2.197 -4.127 -4.127 630 HB ILE 144 HB ILE 144 1.819 -2.177 -2.177 631 1HG1 ILE 144 1HG1 ILE 144 -0.740 -3.718 -3.718 632 2HG1 ILE 144 2HG1 ILE 144 0.158 -3.230 -3.230 633 1HG2 ILE 144 3HG2 ILE 144 1.854 -3.776 -3.776 634 2HG2 ILE 144 2HG2 ILE 144 0.135 -3.962 -3.962 635 3HG2 ILE 144 1HG2 ILE 144 0.797 -2.367 -2.367 636 1HD1 ILE 144 3HD1 ILE 144 -0.040 -0.964 -0.964 637 2HD1 ILE 144 2HD1 ILE 144 -1.636 -1.710 -1.710 638 3HD1 ILE 144 1HD1 ILE 144 -0.813 -1.255 -1.255 639 H GLU 145 H GLU 145 2.706 -5.781 -5.781 640 HA GLU 145 HA GLU 145 0.430 -7.537 -7.537 641 1HB GLU 145 1HB GLU 145 2.707 -7.849 -7.849 642 2HB GLU 145 2HB GLU 145 1.072 -8.480 -8.480 643 1HG GLU 145 2HG GLU 145 0.259 -6.125 -6.125 644 2HG GLU 145 1HG GLU 145 1.945 -5.614 -5.614 645 H LYS 146 H LYS 146 3.956 -7.722 -7.722 646 HA LYS 146 HA LYS 146 3.981 -10.504 -10.504 647 1HB LYS 146 2HB LYS 146 5.932 -9.456 -9.456 648 2HB LYS 146 1HB LYS 146 6.086 -8.360 -8.360 649 1HG LYS 146 1HG LYS 146 7.354 -9.823 -9.823 650 2HG LYS 146 2HG LYS 146 6.077 -11.038 -11.038 651 1HD LYS 146 1HD LYS 146 7.788 -12.098 -12.098 652 2HD LYS 146 2HD LYS 146 6.929 -11.328 -11.328 653 1HE LYS 146 2HE LYS 146 8.672 -10.028 -10.028 654 2HE LYS 146 1HE LYS 146 8.935 -9.591 -9.591 655 1HZ LYS 146 2HZ LYS 146 9.730 -12.259 -12.259 656 2HZ LYS 146 1HZ LYS 146 10.725 -10.929 -10.929 657 3HZ LYS 146 3HZ LYS 146 10.360 -11.345 -11.345 658 H VAL 147 H VAL 147 4.273 -7.493 -7.493 659 HA VAL 147 HA VAL 147 4.775 -8.429 -8.429 660 HB VAL 147 HB VAL 147 4.605 -6.043 -6.043 661 1HG1 VAL 147 3HG2 VAL 147 1.682 -6.692 -6.692 662 2HG1 VAL 147 2HG2 VAL 147 2.250 -5.051 -5.051 663 3HG1 VAL 147 1HG2 VAL 147 2.702 -5.873 -5.873 664 1HG2 VAL 147 3HG1 VAL 147 4.352 -7.022 -7.022 665 2HG2 VAL 147 2HG1 VAL 147 4.023 -5.313 -5.313 666 3HG2 VAL 147 1HG1 VAL 147 2.688 -6.456 -6.456 667 H SER 148 H SER 148 3.254 -8.629 -8.629 668 HA SER 148 HA SER 148 1.214 -10.547 -10.547 669 1HB SER 148 1HB SER 148 1.235 -9.695 -9.695 670 2HB SER 148 2HB SER 148 1.590 -11.279 -11.279 671 HG SER 148 HG SER 148 3.703 -10.377 -10.377 672 H PHE 149 H PHE 149 1.034 -7.351 -7.351 673 HA PHE 149 HA PHE 149 -0.784 -6.004 -6.004 674 1HB PHE 149 2HB PHE 149 -2.576 -7.911 -7.911 675 2HB PHE 149 1HB PHE 149 -2.988 -6.771 -6.771 676 HD1 PHE 149 HD2 PHE 149 -0.772 -7.494 -7.494 677 HD2 PHE 149 HD1 PHE 149 -3.457 -9.886 -9.886 678 HE1 PHE 149 HE2 PHE 149 -0.582 -9.292 -9.292 679 HE2 PHE 149 HE1 PHE 149 -3.272 -11.687 -11.687 680 HZ PHE 149 HZ PHE 149 -1.833 -11.391 -11.391 681 H CYS 150 H CYS 150 -2.913 -5.492 -5.492 682 HA CYS 150 HA CYS 150 -1.618 -4.990 -4.990 683 1HB CYS 150 1HB CYS 150 -2.223 -2.606 -2.606 684 2HB CYS 150 2HB CYS 150 -1.101 -3.013 -3.013 685 HG CYS 150 HG CYS 150 -3.508 -3.115 -3.115 686 H ALA 151 H ALA 151 -3.147 -4.117 -4.117 687 HA ALA 151 HA ALA 151 -5.967 -4.427 -4.427 688 1HB ALA 151 2HB ALA 151 -4.917 -6.737 -6.737 689 2HB ALA 151 1HB ALA 151 -4.902 -6.147 -6.147 690 3HB ALA 151 3HB ALA 151 -6.426 -6.267 -6.267 691 HA PRO 152 HA PRO 152 -5.445 -1.062 -1.062 692 1HB PRO 152 2HB PRO 152 -8.095 -0.343 -0.343 693 2HB PRO 152 1HB PRO 152 -6.906 0.226 0.226 694 1HG PRO 152 1HG PRO 152 -8.909 -1.982 -1.982 695 2HG PRO 152 2HG PRO 152 -8.433 -0.761 -0.761 696 1HD PRO 152 1HD PRO 152 -7.509 -3.282 -3.282 697 2HD PRO 152 2HD PRO 152 -6.498 -1.899 -1.899 698 H ASP 153 H ASP 153 -5.475 -1.207 -1.207 699 HA ASP 153 HA ASP 153 -6.238 -3.349 -3.349 700 1HB ASP 153 1HB ASP 153 -6.507 -1.627 -1.627 701 2HB ASP 153 2HB ASP 153 -4.939 -1.794 -1.794 702 H ARG 154 H ARG 154 -8.221 -0.407 -0.407 703 HA ARG 154 HA ARG 154 -10.644 -1.721 -1.721 704 1HB ARG 154 1HB ARG 154 -9.846 -2.093 -2.093 705 2HB ARG 154 2HB ARG 154 -10.856 -0.661 -0.661 706 1HG ARG 154 1HG ARG 154 -12.764 -1.772 -1.772 707 2HG ARG 154 2HG ARG 154 -11.873 -3.018 -3.018 708 1HD ARG 154 1HD ARG 154 -10.992 -3.777 -3.777 709 2HD ARG 154 2HD ARG 154 -12.197 -2.714 -2.714 710 HE ARG 154 HE ARG 154 -13.836 -4.212 -4.212 711 1HH1 ARG 154 2HH2 ARG 154 -10.872 -5.024 -5.024 712 2HH1 ARG 154 1HH2 ARG 154 -11.457 -6.549 -6.549 713 1HH2 ARG 154 2HH1 ARG 154 -14.617 -6.216 -6.216 714 2HH2 ARG 154 1HH1 ARG 154 -13.587 -7.227 -7.227 715 H ASN 155 H ASN 155 -9.246 0.610 0.610 716 HA ASN 155 HA ASN 155 -9.478 2.866 2.866 717 1HB ASN 155 1HB ASN 155 -11.700 1.456 1.456 718 2HB ASN 155 2HB ASN 155 -12.403 2.783 2.783 719 1HD2 ASN 155 2HD2 ASN 155 -10.397 3.501 3.501 720 2HD2 ASN 155 1HD2 ASN 155 -10.183 2.016 2.016 721 H HIS 156 H HIS 156 -9.262 2.248 2.248 722 HA HIS 156 HA HIS 156 -11.221 3.785 3.785 723 1HB HIS 156 1HB HIS 156 -9.741 1.769 1.769 724 2HB HIS 156 2HB HIS 156 -8.589 3.042 3.042 725 HD1 HIS 156 HD1 HIS 156 -12.354 2.676 2.676 726 HD2 HIS 156 HD2 HIS 156 -8.840 3.659 3.659 727 HE1 HIS 156 HE1 HIS 156 -13.014 3.240 3.240 728 H GLU 157 H GLU 157 -8.422 4.603 4.603 729 HA GLU 157 HA GLU 157 -8.748 7.327 7.327 730 1HB GLU 157 2HB GLU 157 -6.834 5.745 5.745 731 2HB GLU 157 1HB GLU 157 -5.952 6.879 6.879 732 1HG GLU 157 1HG GLU 157 -6.180 8.194 8.194 733 2HG GLU 157 2HG GLU 157 -7.725 8.566 8.566 734 H ARG 158 H ARG 158 -8.692 5.585 5.585 735 HA ARG 158 HA ARG 158 -8.084 5.809 5.809 736 1HB ARG 158 2HB ARG 158 -6.782 8.415 8.415 737 2HB ARG 158 1HB ARG 158 -7.476 7.968 7.968 738 1HG ARG 158 2HG ARG 158 -8.941 8.553 8.553 739 2HG ARG 158 1HG ARG 158 -8.966 9.490 9.490 740 1HD ARG 158 2HD ARG 158 -10.683 8.293 8.293 741 2HD ARG 158 1HD ARG 158 -9.713 6.824 6.824 742 HE ARG 158 HE ARG 158 -10.840 6.267 6.267 743 1HH1 ARG 158 1HH1 ARG 158 -11.364 9.642 9.642 744 2HH1 ARG 158 2HH1 ARG 158 -12.554 9.841 9.841 745 1HH2 ARG 158 2HH2 ARG 158 -12.408 6.518 6.518 746 2HH2 ARG 158 1HH2 ARG 158 -13.147 8.065 8.065 747 H GLY 159 H GLY 159 -6.442 4.204 4.204 748 1HA GLY 159 1HA GLY 159 -3.833 4.753 4.753 749 2HA GLY 159 2HA GLY 159 -3.903 4.311 4.311 750 H PHE 160 H PHE 160 -3.081 3.080 3.080 751 HA PHE 160 HA PHE 160 -4.231 0.430 0.430 752 1HB PHE 160 2HB PHE 160 -3.002 0.552 0.552 753 2HB PHE 160 1HB PHE 160 -4.661 0.152 0.152 754 HD1 PHE 160 HD2 PHE 160 -5.978 2.430 2.430 755 HD2 PHE 160 HD1 PHE 160 -2.818 2.179 2.179 756 HE1 PHE 160 HE2 PHE 160 -6.748 4.524 4.524 757 HE2 PHE 160 HE1 PHE 160 -3.581 4.272 4.272 758 HZ PHE 160 HZ PHE 160 -5.549 5.449 5.449 759 H SER 161 H SER 161 -2.736 -1.366 -1.366 760 HA SER 161 HA SER 161 0.084 -0.777 -0.777 761 1HB SER 161 1HB SER 161 -0.337 -1.511 -1.511 762 2HB SER 161 2HB SER 161 -1.615 -2.614 -2.614 763 HG SER 161 HG SER 161 -0.179 -4.125 -4.125 764 H TYR 162 H TYR 162 1.405 -1.863 -1.863 765 HA TYR 162 HA TYR 162 0.193 -3.759 -3.759 766 1HB TYR 162 2HB TYR 162 2.951 -2.513 -2.513 767 2HB TYR 162 1HB TYR 162 2.173 -3.422 -3.422 768 HD1 TYR 162 HD2 TYR 162 -0.484 -1.682 -1.682 769 HD2 TYR 162 HD1 TYR 162 3.215 -0.937 -0.937 770 HE1 TYR 162 HE2 TYR 162 -1.400 0.403 0.403 771 HE2 TYR 162 HE1 TYR 162 2.307 1.152 1.152 772 HH TYR 162 HH2 TYR 162 0.347 2.822 2.822 773 H ILE 163 H ILE 163 2.064 -5.416 -5.416 774 HA ILE 163 HA ILE 163 3.637 -6.518 -6.518 775 HB ILE 163 HB ILE 163 2.327 -8.793 -8.793 776 1HG1 ILE 163 1HG1 ILE 163 0.040 -6.831 -6.831 777 2HG1 ILE 163 2HG1 ILE 163 0.672 -7.635 -7.635 778 1HG2 ILE 163 1HG2 ILE 163 2.564 -6.847 -6.847 779 2HG2 ILE 163 3HG2 ILE 163 0.836 -7.192 -7.192 780 3HG2 ILE 163 2HG2 ILE 163 1.984 -8.499 -8.499 781 1HD1 ILE 163 1HD1 ILE 163 0.188 -9.601 -9.601 782 2HD1 ILE 163 3HD1 ILE 163 -1.241 -8.579 -8.579 783 3HD1 ILE 163 2HD1 ILE 163 -0.587 -9.396 -9.396 784 H CYS 164 H CYS 164 5.221 -7.805 -7.805 785 HA CYS 164 HA CYS 164 4.974 -8.792 -8.792 786 1HB CYS 164 1HB CYS 164 7.603 -7.755 -7.755 787 2HB CYS 164 2HB CYS 164 7.051 -7.957 -7.957 788 HG CYS 164 HG CYS 164 6.551 -5.572 -5.572 789 H ARG 165 H ARG 165 6.485 -10.542 -10.542 790 HA ARG 165 HA ARG 165 7.187 -12.111 -12.111 791 1HB ARG 165 2HB ARG 165 6.339 -13.203 -13.203 792 2HB ARG 165 1HB ARG 165 6.645 -14.130 -14.130 793 1HG ARG 165 2HG ARG 165 4.731 -13.122 -13.122 794 2HG ARG 165 1HG ARG 165 4.447 -12.098 -12.098 795 1HD ARG 165 2HD ARG 165 4.375 -15.113 -15.113 796 2HD ARG 165 1HD ARG 165 2.958 -14.070 -14.070 797 HE ARG 165 HE ARG 165 3.190 -13.567 -13.567 798 1HH1 ARG 165 1HH1 ARG 165 5.964 -15.384 -15.384 799 2HH1 ARG 165 2HH1 ARG 165 6.554 -15.679 -15.679 800 1HH2 ARG 165 1HH2 ARG 165 3.969 -13.957 -13.957 801 2HH2 ARG 165 2HH2 ARG 165 5.424 -14.871 -14.871 802 H ASP 166 H ASP 166 9.319 -11.265 -11.265 803 HA ASP 166 HA ASP 166 11.511 -11.101 -11.101 804 1HB ASP 166 1HB ASP 166 12.559 -13.204 -13.204 805 2HB ASP 166 2HB ASP 166 11.204 -13.524 -13.524 806 H GLY 167 H GLY 167 12.922 -12.312 -12.312 807 1HA GLY 167 2HA GLY 167 13.105 -12.295 -12.295 808 2HA GLY 167 1HA GLY 167 11.616 -11.365 -11.365 809 H THR 168 H THR 168 11.697 -9.100 -9.100 810 HA THR 168 HA THR 168 14.317 -7.939 -7.939 811 HB THR 168 HB THR 168 12.044 -6.107 -6.107 812 HG1 THR 168 1HG THR 168 10.719 -7.516 -7.516 813 1HG2 THR 168 2HG2 THR 168 14.467 -6.374 -6.374 814 2HG2 THR 168 1HG2 THR 168 13.212 -6.585 -6.585 815 3HG2 THR 168 3HG2 THR 168 13.239 -5.130 -5.130 816 H THR 169 H THR 169 13.343 -8.847 -8.847 817 HA THR 169 HA THR 169 14.080 -6.417 -6.417 818 HB THR 169 HB THR 169 12.035 -7.555 -7.555 819 HG1 THR 169 1HG THR 169 11.052 -8.514 -8.514 820 1HG2 THR 169 2HG2 THR 169 12.590 -5.006 -5.006 821 2HG2 THR 169 1HG2 THR 169 10.870 -5.351 -5.351 822 3HG2 THR 169 3HG2 THR 169 11.927 -5.361 -5.361 823 H ARG 170 H ARG 170 12.608 -9.373 -9.373 824 HA ARG 170 HA ARG 170 15.028 -10.670 -10.670 825 1HB ARG 170 1HB ARG 170 14.462 -10.340 -10.340 826 2HB ARG 170 2HB ARG 170 15.610 -9.331 -9.331 827 1HG ARG 170 1HG ARG 170 13.451 -7.870 -7.870 828 2HG ARG 170 2HG ARG 170 12.905 -8.679 -8.679 829 1HD ARG 170 2HD ARG 170 14.112 -7.285 -7.285 830 2HD ARG 170 1HD ARG 170 15.577 -7.839 -7.839 831 HE ARG 170 HE ARG 170 14.170 -5.929 -5.929 832 1HH1 ARG 170 1HH1 ARG 170 16.296 -6.264 -6.264 833 2HH1 ARG 170 2HH1 ARG 170 16.977 -4.681 -4.681 834 1HH2 ARG 170 1HH2 ARG 170 15.058 -3.841 -3.841 835 2HH2 ARG 170 2HH2 ARG 170 16.273 -3.302 -3.302 836 H ARG 171 H ARG 171 12.170 -10.303 -10.303 837 HA ARG 171 HA ARG 171 11.262 -12.965 -12.965 838 1HB ARG 171 1HB ARG 171 10.913 -13.673 -13.673 839 2HB ARG 171 2HB ARG 171 12.568 -13.092 -13.092 840 1HG ARG 171 2HG ARG 171 12.175 -11.273 -11.273 841 2HG ARG 171 1HG ARG 171 10.466 -11.191 -11.191 842 1HD ARG 171 2HD ARG 171 10.698 -11.904 -11.904 843 2HD ARG 171 1HD ARG 171 10.055 -13.224 -13.224 844 HE ARG 171 HE ARG 171 12.832 -13.494 -13.494 845 1HH1 ARG 171 2HH1 ARG 171 10.089 -13.647 -13.647 846 2HH1 ARG 171 1HH1 ARG 171 10.828 -14.782 -14.782 847 1HH2 ARG 171 1HH2 ARG 171 13.817 -14.990 -14.990 848 2HH2 ARG 171 2HH2 ARG 171 12.949 -15.546 -15.546 849 H TRP 172 H TRP 172 9.143 -12.861 -12.861 850 HA TRP 172 HA TRP 172 7.148 -11.551 -11.551 851 1HB TRP 172 1HB TRP 172 6.811 -12.153 -12.153 852 2HB TRP 172 2HB TRP 172 5.633 -12.285 -12.285 853 HD1 TRP 172 HD1 TRP 172 7.842 -14.364 -14.364 854 HE1 TRP 172 HE1 TRP 172 8.026 -16.744 -16.744 855 HE3 TRP 172 HE3 TRP 172 5.806 -13.540 -13.540 856 HZ2 TRP 172 2HZ TRP 172 7.392 -18.096 -18.096 857 HZ3 TRP 172 HZ3 TRP 172 5.631 -15.430 -15.430 858 HH2 TRP 172 HH2 TRP 172 6.408 -17.659 -17.659 859 H MET 173 H MET 173 8.018 -9.439 -9.439 860 HA MET 173 HA MET 173 8.371 -7.765 -7.765 861 1HB MET 173 1HB MET 173 8.607 -7.181 -7.181 862 2HB MET 173 2HB MET 173 8.928 -6.005 -6.005 863 1HG MET 173 1HG MET 173 10.393 -8.440 -8.440 864 2HG MET 173 2HG MET 173 10.724 -7.795 -7.795 865 1HE MET 173 2HE MET 173 10.087 -6.999 -6.999 866 2HE MET 173 1HE MET 173 11.738 -6.678 -6.678 867 3HE MET 173 3HE MET 173 10.644 -5.336 -5.336 868 H CYS 174 H CYS 174 6.820 -6.654 -6.654 869 HA CYS 174 HA CYS 174 4.311 -6.198 -6.198 870 1HB CYS 174 2HB CYS 174 4.992 -6.814 -6.814 871 2HB CYS 174 1HB CYS 174 4.267 -5.210 -5.210 872 HG CYS 174 HG CYS 174 2.215 -6.444 -6.444 873 H HIS 175 H HIS 175 3.326 -4.078 -4.078 874 HA HIS 175 HA HIS 175 5.203 -1.872 -1.872 875 1HB HIS 175 2HB HIS 175 3.573 -2.291 -2.291 876 2HB HIS 175 1HB HIS 175 4.550 -0.870 -0.870 877 HD1 HIS 175 HD1 HIS 175 6.710 -0.951 -0.951 878 HD2 HIS 175 HD2 HIS 175 5.405 -4.733 -4.733 879 HE1 HIS 175 HE1 HIS 175 8.450 -2.580 -2.580 880 H GLY 176 H GLY 176 4.327 -0.320 -0.320 881 1HA GLY 176 1HA GLY 176 1.394 -0.166 -0.166 882 2HA GLY 176 2HA GLY 176 2.533 0.519 0.519 883 H PHE 177 H PHE 177 0.481 1.204 1.204 884 HA PHE 177 HA PHE 177 1.945 3.658 3.658 885 1HB PHE 177 1HB PHE 177 0.038 1.918 1.918 886 2HB PHE 177 2HB PHE 177 0.102 3.633 3.633 887 HD1 PHE 177 HD1 PHE 177 2.132 4.621 4.621 888 HD2 PHE 177 HD2 PHE 177 1.848 0.447 0.447 889 HE1 PHE 177 HE1 PHE 177 4.107 4.226 4.226 890 HE2 PHE 177 HE2 PHE 177 3.823 0.044 0.044 891 HZ PHE 177 HZ PHE 177 4.954 1.935 1.935 892 H LEU 178 H LEU 178 0.719 5.606 5.606 893 HA LEU 178 HA LEU 178 -1.908 5.787 5.787 894 1HB LEU 178 2HB LEU 178 0.389 6.330 6.330 895 2HB LEU 178 1HB LEU 178 -0.237 7.902 7.902 896 HG LEU 178 HG LEU 178 -1.625 5.757 5.757 897 1HD1 LEU 178 1HD1 LEU 178 -0.417 8.400 8.400 898 2HD1 LEU 178 3HD1 LEU 178 -1.925 8.029 8.029 899 3HD1 LEU 178 2HD1 LEU 178 -0.529 6.968 6.968 900 1HD2 LEU 178 1HD2 LEU 178 -2.775 8.200 8.200 901 2HD2 LEU 178 3HD2 LEU 178 -3.308 6.526 6.526 902 3HD2 LEU 178 2HD2 LEU 178 -3.544 7.394 7.394 903 H ALA 179 H ALA 179 -2.815 6.571 6.571 904 HA ALA 179 HA ALA 179 -1.819 8.125 8.125 905 1HB ALA 179 1HB ALA 179 -4.061 7.200 7.200 906 2HB ALA 179 3HB ALA 179 -4.590 8.360 8.360 907 3HB ALA 179 2HB ALA 179 -4.094 8.922 8.922 908 H CYS 180 H CYS 180 -1.457 10.259 10.259 909 HA CYS 180 HA CYS 180 -0.763 11.968 11.968 910 1HB CYS 180 1HB CYS 180 0.371 12.194 12.194 911 2HB CYS 180 2HB CYS 180 -1.145 12.517 12.517 912 HG CYS 180 HG CYS 180 -0.010 14.559 14.559 913 H LYS 181 H LYS 181 -3.232 12.518 12.518 914 HA LYS 181 HA LYS 181 -4.587 14.571 14.571 915 1HB LYS 181 1HB LYS 181 -5.756 12.484 12.484 916 2HB LYS 181 2HB LYS 181 -6.479 14.040 14.040 917 1HG LYS 181 2HG LYS 181 -5.474 14.793 14.793 918 2HG LYS 181 1HG LYS 181 -3.977 14.733 14.733 919 1HD LYS 181 2HD LYS 181 -4.379 12.123 12.123 920 2HD LYS 181 1HD LYS 181 -4.787 13.155 13.155 921 1HE LYS 181 2HE LYS 181 -2.314 13.763 13.763 922 2HE LYS 181 1HE LYS 181 -2.305 12.365 12.365 923 1HZ LYS 181 1HZ LYS 181 -3.455 14.460 14.460 924 2HZ LYS 181 3HZ LYS 181 -2.075 15.093 15.093 925 3HZ LYS 181 2HZ LYS 181 -1.946 13.743 13.743 926 H ASP 182 H ASP 182 -4.675 11.123 11.123 927 HA ASP 182 HA ASP 182 -5.762 9.755 9.755 928 1HB ASP 182 1HB ASP 182 -4.937 12.123 12.123 929 2HB ASP 182 2HB ASP 182 -6.389 11.431 11.431 930 H SER 183 H SER 183 -7.577 9.757 9.757 931 HA SER 183 HA SER 183 -10.021 10.093 10.093 932 1HB SER 183 2HB SER 183 -9.125 12.397 12.397 933 2HB SER 183 1HB SER 183 -10.483 11.728 11.728 934 HG SER 183 HG SER 183 -11.613 12.751 12.751 935 H GLY 184 H GLY 184 -8.537 8.097 8.097 936 1HA GLY 184 2HA GLY 184 -8.799 6.576 6.576 937 2HA GLY 184 1HA GLY 184 -10.444 6.576 6.576 938 H GLU 185 H GLU 185 -9.010 9.364 9.364 939 HA GLU 185 HA GLU 185 -10.580 8.797 8.797 940 1HB GLU 185 1HB GLU 185 -10.852 11.071 11.071 941 2HB GLU 185 2HB GLU 185 -10.861 11.484 11.484 942 1HG GLU 185 1HG GLU 185 -12.812 10.335 10.335 943 2HG GLU 185 2HG GLU 185 -12.610 9.282 9.282 944 H ARG 186 H ARG 186 -7.953 8.286 8.286 945 HA ARG 186 HA ARG 186 -6.908 9.619 9.619 946 1HB ARG 186 1HB ARG 186 -6.732 11.248 11.248 947 2HB ARG 186 2HB ARG 186 -5.106 10.760 10.760 948 1HG ARG 186 2HG ARG 186 -5.098 12.371 12.371 949 2HG ARG 186 1HG ARG 186 -6.374 11.516 11.516 950 1HD ARG 186 2HD ARG 186 -7.916 13.013 13.013 951 2HD ARG 186 1HD ARG 186 -7.391 12.997 12.997 952 HE ARG 186 HE ARG 186 -5.618 14.452 14.452 953 1HH1 ARG 186 1HH1 ARG 186 -8.545 14.628 14.628 954 2HH1 ARG 186 2HH1 ARG 186 -8.457 16.345 16.345 955 1HH2 ARG 186 1HH2 ARG 186 -5.491 16.714 16.714 956 2HH2 ARG 186 2HH2 ARG 186 -6.720 17.530 17.530 957 H LEU 187 H LEU 187 -6.245 8.093 8.093 958 HA LEU 187 HA LEU 187 -3.892 6.763 6.763 959 1HB LEU 187 1HB LEU 187 -4.616 7.581 7.581 960 2HB LEU 187 2HB LEU 187 -3.545 6.215 6.215 961 HG LEU 187 HG LEU 187 -2.555 8.601 8.601 962 1HD1 LEU 187 1HD2 LEU 187 -1.645 6.577 6.577 963 2HD1 LEU 187 3HD2 LEU 187 -0.678 7.994 7.994 964 3HD1 LEU 187 2HD2 LEU 187 -1.098 6.823 6.823 965 1HD2 LEU 187 1HD1 LEU 187 -3.216 8.657 8.657 966 2HD2 LEU 187 3HD1 LEU 187 -3.793 9.769 9.769 967 3HD2 LEU 187 2HD1 LEU 187 -2.085 9.754 9.754 968 H SER 188 H SER 188 -6.962 6.322 6.322 969 HA SER 188 HA SER 188 -6.627 3.447 3.447 970 1HB SER 188 2HB SER 188 -7.868 4.822 4.822 971 2HB SER 188 1HB SER 188 -9.134 5.060 5.060 972 HG SER 188 HG SER 188 -9.196 2.690 2.690 973 H HIS 189 H HIS 189 -9.199 5.450 5.450 974 HA HIS 189 HA HIS 189 -10.242 3.445 3.445 975 1HB HIS 189 2HB HIS 189 -10.471 6.375 6.375 976 2HB HIS 189 1HB HIS 189 -10.818 5.704 5.704 977 HD1 HIS 189 HD1 HIS 189 -11.784 4.467 4.467 978 HD2 HIS 189 HD2 HIS 189 -13.477 5.503 5.503 979 HE1 HIS 189 HE1 HIS 189 -14.262 4.011 4.011 980 H ALA 190 H ALA 190 -7.507 5.560 5.560 981 HA ALA 190 HA ALA 190 -7.244 5.155 5.155 982 1HB ALA 190 2HB ALA 190 -6.043 6.801 6.801 983 2HB ALA 190 1HB ALA 190 -4.761 5.630 5.630 984 3HB ALA 190 3HB ALA 190 -5.481 6.533 6.533 985 H VAL 191 H VAL 191 -5.087 3.944 3.944 986 HA VAL 191 HA VAL 191 -3.795 2.024 2.024 987 HB VAL 191 HB VAL 191 -4.410 1.754 1.754 988 1HG1 VAL 191 1HG2 VAL 191 -2.445 0.495 0.495 989 2HG1 VAL 191 3HG2 VAL 191 -2.055 0.675 0.675 990 3HG1 VAL 191 2HG2 VAL 191 -3.469 -0.258 -0.258 991 1HG2 VAL 191 2HG1 VAL 191 -3.172 3.902 3.902 992 2HG2 VAL 191 1HG1 VAL 191 -2.924 3.356 3.356 993 3HG2 VAL 191 3HG1 VAL 191 -1.812 2.849 2.849 994 H GLY 192 H GLY 192 -6.692 1.638 1.638 995 1HA GLY 192 1HA GLY 192 -7.147 -1.069 -1.069 996 2HA GLY 192 2HA GLY 192 -8.426 0.130 0.130 997 H CYS 193 H CYS 193 -7.762 1.543 1.543 998 HA CYS 193 HA CYS 193 -9.029 -0.226 -0.226 999 1HB CYS 193 2HB CYS 193 -9.693 2.206 2.206 1000 2HB CYS 193 1HB CYS 193 -8.176 2.647 2.647 1001 HG CYS 193 HG CYS 193 -10.583 2.238 2.238 1002 H ALA 194 H ALA 194 -5.978 1.321 1.321 1003 HA ALA 194 HA ALA 194 -4.660 1.112 1.112 1004 1HB ALA 194 2HB ALA 194 -3.937 2.067 2.067 1005 2HB ALA 194 1HB ALA 194 -3.211 0.474 0.474 1006 3HB ALA 194 3HB ALA 194 -2.725 1.493 1.493 1007 H PHE 195 H PHE 195 -5.364 -1.350 -1.350 1008 HA PHE 195 HA PHE 195 -3.681 -3.364 -3.364 1009 1HB PHE 195 1HB PHE 195 -5.903 -3.332 -3.332 1010 2HB PHE 195 2HB PHE 195 -5.314 -4.868 -4.868 1011 HD1 PHE 195 HD2 PHE 195 -2.858 -5.408 -5.408 1012 HD2 PHE 195 HD1 PHE 195 -4.761 -2.210 -2.210 1013 HE1 PHE 195 HE2 PHE 195 -1.018 -5.372 -5.372 1014 HE2 PHE 195 HE1 PHE 195 -2.924 -2.168 -2.168 1015 HZ PHE 195 HZ PHE 195 -1.049 -3.750 -3.750 1016 H ALA 196 H ALA 196 -6.756 -2.099 -2.099 1017 HA ALA 196 HA ALA 196 -8.197 -4.149 -4.149 1018 1HB ALA 196 3HB ALA 196 -7.760 -1.454 -1.454 1019 2HB ALA 196 2HB ALA 196 -9.075 -2.565 -2.565 1020 3HB ALA 196 1HB ALA 196 -8.964 -1.850 -1.850 1021 H VAL 197 H VAL 197 -5.775 -2.329 -2.329 1022 HA VAL 197 HA VAL 197 -5.829 -3.821 -3.821 1023 HB VAL 197 HB VAL 197 -3.559 -3.025 -3.025 1024 1HG1 VAL 197 3HG1 VAL 197 -5.752 -1.528 -1.528 1025 2HG1 VAL 197 2HG1 VAL 197 -4.797 -0.693 -0.693 1026 3HG1 VAL 197 1HG1 VAL 197 -4.169 -0.868 -0.868 1027 1HG2 VAL 197 3HG2 VAL 197 -3.678 -2.302 -2.302 1028 2HG2 VAL 197 2HG2 VAL 197 -2.515 -3.351 -3.351 1029 3HG2 VAL 197 1HG2 VAL 197 -2.498 -1.612 -1.612 1030 H CYS 198 H CYS 198 -3.853 -4.354 -4.354 1031 HA CYS 198 HA CYS 198 -2.385 -6.557 -6.557 1032 1HB CYS 198 2HB CYS 198 -1.858 -5.450 -5.450 1033 2HB CYS 198 1HB CYS 198 -3.422 -5.901 -5.901 1034 HG CYS 198 HG CYS 198 -2.485 -8.047 -8.047 1035 H LEU 199 H LEU 199 -5.685 -6.234 -6.234 1036 HA LEU 199 HA LEU 199 -6.101 -9.104 -9.104 1037 1HB LEU 199 1HB LEU 199 -7.598 -7.333 -7.333 1038 2HB LEU 199 2HB LEU 199 -7.976 -9.011 -9.011 1039 HG LEU 199 HG LEU 199 -5.385 -9.244 -9.244 1040 1HD1 LEU 199 1HD1 LEU 199 -6.330 -6.660 -6.660 1041 2HD1 LEU 199 3HD1 LEU 199 -5.707 -7.718 -7.718 1042 3HD1 LEU 199 2HD1 LEU 199 -4.692 -7.304 -7.304 1043 1HD2 LEU 199 2HD2 LEU 199 -7.280 -10.548 -10.548 1044 2HD2 LEU 199 1HD2 LEU 199 -6.245 -10.008 -10.008 1045 3HD2 LEU 199 3HD2 LEU 199 -7.777 -9.191 -9.191 1046 H GLU 200 H GLU 200 -6.164 -7.248 -7.248 1047 HA GLU 200 HA GLU 200 -8.471 -5.954 -5.954 1048 1HB GLU 200 2HB GLU 200 -6.580 -5.930 -5.930 1049 2HB GLU 200 1HB GLU 200 -6.734 -7.656 -7.656 1050 1HG GLU 200 2HG GLU 200 -7.572 -6.440 -6.440 1051 2HG GLU 200 1HG GLU 200 -8.913 -7.246 -7.246 1052 H ARG 201 H ARG 201 -8.000 -9.394 -9.394 1053 HA ARG 201 HA ARG 201 -10.804 -9.805 -9.805 1054 1HB ARG 201 2HB ARG 201 -8.689 -11.945 -11.945 1055 2HB ARG 201 1HB ARG 201 -10.256 -11.928 -11.928 1056 1HG ARG 201 2HG ARG 201 -8.750 -9.689 -9.689 1057 2HG ARG 201 1HG ARG 201 -7.753 -11.140 -11.140 1058 1HD ARG 201 2HD ARG 201 -9.015 -12.015 -12.015 1059 2HD ARG 201 1HD ARG 201 -10.523 -11.486 -11.486 1060 HE ARG 201 HE ARG 201 -9.486 -9.181 -9.181 1061 1HH1 ARG 201 1HH2 ARG 201 -10.025 -12.292 -12.292 1062 2HH1 ARG 201 2HH2 ARG 201 -10.278 -11.643 -11.643 1063 1HH2 ARG 201 1HH1 ARG 201 -9.816 -8.317 -8.317 1064 2HH2 ARG 201 2HH1 ARG 201 -10.158 -9.382 -9.382 1065 H LYS 202 H LYS 202 -9.640 -9.161 -9.161 1066 HA LYS 202 HA LYS 202 -9.751 -9.814 -9.814 1067 1HB LYS 202 2HB LYS 202 -12.112 -11.327 -11.327 1068 2HB LYS 202 1HB LYS 202 -11.809 -11.106 -11.106 1069 1HG LYS 202 1HG LYS 202 -12.428 -8.984 -8.984 1070 2HG LYS 202 2HG LYS 202 -13.426 -9.498 -9.498 1071 1HD LYS 202 1HD LYS 202 -11.012 -8.793 -8.793 1072 2HD LYS 202 2HD LYS 202 -11.255 -7.575 -7.575 1073 1HE LYS 202 2HE LYS 202 -13.271 -8.327 -8.327 1074 2HE LYS 202 1HE LYS 202 -12.227 -6.907 -6.907 1075 1HZ LYS 202 3HZ LYS 202 -13.310 -6.452 -6.452 1076 2HZ LYS 202 2HZ LYS 202 -14.541 -7.452 -7.452 1077 3HZ LYS 202 1HZ LYS 202 -14.131 -6.038 -6.038 1078 H GLN 203 H GLN 203 -7.804 -11.203 -11.203 1079 HA GLN 203 HA GLN 203 -8.156 -14.036 -14.036 1080 1HB GLN 203 2HB GLN 203 -6.111 -12.353 -12.353 1081 2HB GLN 203 1HB GLN 203 -5.568 -13.878 -13.878 1082 1HG GLN 203 1HG GLN 203 -8.016 -14.019 -14.019 1083 2HG GLN 203 2HG GLN 203 -6.541 -13.599 -13.599 1084 1HE2 GLN 203 2HE2 GLN 203 -6.971 -17.303 -17.303 1085 2HE2 GLN 203 1HE2 GLN 203 -7.930 -15.970 -15.970 1086 H ARG 204 H ARG 204 -8.500 -12.819 -12.819 1087 HA ARG 204 HA ARG 204 -6.147 -12.389 -12.389 1088 1HB ARG 204 1HB ARG 204 -7.602 -12.426 -12.426 1089 2HB ARG 204 2HB ARG 204 -8.352 -11.502 -11.502 1090 1HG ARG 204 2HG ARG 204 -9.234 -14.159 -14.159 1091 2HG ARG 204 1HG ARG 204 -9.358 -13.762 -13.762 1092 1HD ARG 204 1HD ARG 204 -11.208 -12.609 -12.609 1093 2HD ARG 204 2HD ARG 204 -10.292 -11.524 -11.524 1094 HE ARG 204 HE ARG 204 -11.313 -12.496 -12.496 1095 1HH1 ARG 204 1HH2 ARG 204 -11.413 -14.734 -14.734 1096 2HH1 ARG 204 2HH2 ARG 204 -12.359 -15.908 -15.908 1097 1HH2 ARG 204 1HH1 ARG 204 -12.558 -14.037 -14.037 1098 2HH2 ARG 204 2HH1 ARG 204 -13.009 -15.512 -15.512 1099 H ARG 205 H ARG 205 -4.708 -13.845 -13.845 1100 HA ARG 205 HA ARG 205 -5.434 -16.673 -16.673 1101 1HB ARG 205 2HB ARG 205 -3.239 -15.454 -15.454 1102 2HB ARG 205 1HB ARG 205 -2.666 -15.829 -15.829 1103 1HG ARG 205 2HG ARG 205 -2.918 -18.138 -18.138 1104 2HG ARG 205 1HG ARG 205 -3.913 -17.909 -17.909 1105 1HD ARG 205 1HD ARG 205 -1.843 -18.520 -18.520 1106 2HD ARG 205 2HD ARG 205 -1.841 -16.761 -16.761 1107 HE ARG 205 HE ARG 205 -0.676 -17.239 -17.239 1108 1HH1 ARG 205 1HH2 ARG 205 -0.073 -18.329 -18.329 1109 2HH1 ARG 205 2HH2 ARG 205 1.632 -18.513 -18.513 1110 1HH2 ARG 205 1HH1 ARG 205 1.567 -17.476 -17.476 1111 2HH2 ARG 205 2HH1 ARG 205 2.566 -18.027 -18.027 1112 H THR 206 H THR 206 -6.747 -16.469 -16.469 1113 HA THR 206 HA THR 206 -5.104 -16.420 -16.420 1114 HB THR 206 HB THR 206 -6.515 -14.544 -14.544 1115 HG1 THR 206 1HG THR 206 -8.013 -15.177 -15.177 1116 1HG2 THR 206 2HG2 THR 206 -8.456 -16.172 -16.172 1117 2HG2 THR 206 1HG2 THR 206 -9.129 -15.166 -15.166 1118 3HG2 THR 206 3HG2 THR 206 -8.183 -14.429 -14.429 1119 H ARG 207 H ARG 207 -4.767 -18.503 -18.503 1120 HA ARG 207 HA ARG 207 -5.212 -20.601 -20.601 1121 1HB ARG 207 2HB ARG 207 -7.256 -19.267 -19.267 1122 2HB ARG 207 1HB ARG 207 -8.166 -20.183 -20.183 1123 1HG ARG 207 2HG ARG 207 -8.168 -21.966 -21.966 1124 2HG ARG 207 1HG ARG 207 -6.406 -21.942 -21.942 1125 1HD ARG 207 2HD ARG 207 -6.440 -20.512 -20.512 1126 2HD ARG 207 1HD ARG 207 -8.152 -20.153 -20.153 1127 HE ARG 207 HE ARG 207 -8.160 -22.814 -22.814 1128 1HH1 ARG 207 2HH1 ARG 207 -6.681 -20.173 -20.173 1129 2HH1 ARG 207 1HH1 ARG 207 -6.769 -20.959 -20.959 1130 1HH2 ARG 207 2HH2 ARG 207 -8.281 -23.858 -23.858 1131 2HH2 ARG 207 1HH2 ARG 207 -7.678 -23.054 -23.054 1132 H ALA 208 H ALA 208 -7.914 -19.842 -19.842 1133 HA ALA 208 HA ALA 208 -6.884 -21.716 -21.716 1134 1HB ALA 208 1HB ALA 208 -9.021 -22.425 -22.425 1135 2HB ALA 208 3HB ALA 208 -9.506 -22.564 -22.564 1136 3HB ALA 208 2HB ALA 208 -8.093 -23.441 -23.441 1137 H ALA 209 H ALA 209 -10.235 -20.705 -20.705 1138 HA ALA 209 HA ALA 209 -10.235 -18.377 -18.377 1139 1HB ALA 209 2HB ALA 209 -9.668 -20.558 -20.558 1140 2HB ALA 209 1HB ALA 209 -11.372 -20.207 -20.207 1141 3HB ALA 209 3HB ALA 209 -10.160 -18.946 -18.946 1142 H ALA 210 H ALA 210 -11.586 -19.185 -19.185 1143 HA ALA 210 HA ALA 210 -13.656 -19.094 -19.094 1144 1HB ALA 210 2HB ALA 210 -13.868 -17.570 -17.570 1145 2HB ALA 210 1HB ALA 210 -15.251 -18.661 -18.661 1146 3HB ALA 210 3HB ALA 210 -15.023 -17.628 -17.628 1147 1H ALA 1 3HT ALA 1 -13.785 -6.804 -6.804 1148 2H ALA 1 2HT ALA 1 -13.976 -6.486 -6.486 1149 3H ALA 1 1HT ALA 1 -14.864 -5.577 -5.577 1150 HA ALA 1 HA ALA 1 -13.235 -4.148 -4.148 1151 1HB ALA 1 3HB ALA 1 -11.545 -6.598 -6.598 1152 2HB ALA 1 2HB ALA 1 -10.807 -5.005 -5.005 1153 3HB ALA 1 1HB ALA 1 -11.904 -5.333 -5.333 1154 H TYR 2 H TYR 2 -11.174 -6.401 -6.401 1155 HA TYR 2 HA TYR 2 -11.881 -5.653 -5.653 1156 1HB TYR 2 1HB TYR 2 -9.421 -4.375 -4.375 1157 2HB TYR 2 2HB TYR 2 -11.000 -3.607 -3.607 1158 HD1 TYR 2 HD2 TYR 2 -9.210 -5.061 -5.061 1159 HD2 TYR 2 HD1 TYR 2 -10.778 -1.573 -1.573 1160 HE1 TYR 2 HE2 TYR 2 -8.689 -3.754 -3.754 1161 HE2 TYR 2 HE1 TYR 2 -10.263 -0.258 -0.258 1162 HH TYR 2 HH2 TYR 2 -9.955 -1.069 -1.069 1163 H ILE 3 H ILE 3 -8.504 -5.650 -5.650 1164 HA ILE 3 HA ILE 3 -8.255 -8.469 -8.469 1165 HB ILE 3 HB ILE 3 -6.457 -6.329 -6.329 1166 1HG1 ILE 3 1HG1 ILE 3 -7.542 -7.278 -7.278 1167 2HG1 ILE 3 2HG1 ILE 3 -8.843 -7.776 -7.776 1168 1HG2 ILE 3 2HG2 ILE 3 -5.856 -8.918 -8.918 1169 2HG2 ILE 3 1HG2 ILE 3 -6.493 -9.036 -9.036 1170 3HG2 ILE 3 3HG2 ILE 3 -5.135 -7.964 -7.964 1171 1HD1 ILE 3 3HD1 ILE 3 -8.087 -5.020 -5.020 1172 2HD1 ILE 3 2HD1 ILE 3 -8.570 -5.325 -5.325 1173 3HD1 ILE 3 1HD1 ILE 3 -9.667 -5.722 -5.722 1174 H GLY 4 H GLY 4 -8.207 -7.847 -7.847 1175 1HA GLY 4 2HA GLY 4 -5.563 -8.534 -8.534 1176 2HA GLY 4 1HA GLY 4 -5.986 -6.892 -6.892 1177 HA PRO 5 HA PRO 5 -8.309 -8.466 -8.466 1178 1HB PRO 5 2HB PRO 5 -10.595 -6.728 -6.728 1179 2HB PRO 5 1HB PRO 5 -9.319 -6.587 -6.587 1180 1HG PRO 5 1HG PRO 5 -9.598 -4.844 -4.844 1181 2HG PRO 5 2HG PRO 5 -8.029 -5.231 -5.231 1182 1HD PRO 5 2HD PRO 5 -9.258 -6.299 -6.299 1183 2HD PRO 5 1HD PRO 5 -7.587 -5.770 -5.770 1184 1HN PTR 6 H PTR 6 -9.439 -9.036 -9.036 1185 HA PTR 6 HA PTR 6 -11.314 -11.018 -11.018 1186 1HB PTR 6 1HB PTR 6 -12.213 -8.690 -8.690 1187 2HB PTR 6 2HB PTR 6 -12.788 -9.111 -9.111 1188 HD1 PTR 6 HD1 PTR 6 -12.799 -10.206 -10.206 1189 HD2 PTR 6 HD2 PTR 6 -14.737 -10.513 -10.513 1190 HE1 PTR 6 HE1 PTR 6 -13.451 -12.557 -12.557 1191 HE2 PTR 6 HE2 PTR 6 -15.659 -12.717 -12.717 1192 H LEU 7 H LEU 7 -9.959 -9.366 -9.366 1193 HA LEU 7 HA LEU 7 -9.163 -10.151 -10.151 1194 1HB LEU 7 2HB LEU 7 -9.483 -12.926 -12.926 1195 2HB LEU 7 1HB LEU 7 -8.355 -12.361 -12.361 1196 HG LEU 7 HG LEU 7 -6.894 -12.523 -12.523 1197 1HD1 LEU 7 1HD1 LEU 7 -7.513 -9.968 -9.968 1198 2HD1 LEU 7 3HD1 LEU 7 -7.890 -10.063 -10.063 1199 3HD1 LEU 7 2HD1 LEU 7 -6.274 -10.476 -10.476 1200 1HD2 LEU 7 1HD2 LEU 7 -9.076 -13.208 -13.208 1201 2HD2 LEU 7 3HD2 LEU 7 -7.451 -13.066 -13.066 1202 3HD2 LEU 7 2HD2 LEU 7 -8.589 -11.727 -11.727 Start of MODEL 12 1 HA SER 64 HA SER 64 -20.727 10.173 10.173 2 1HB SER 64 1HB SER 64 -19.181 10.740 10.740 3 2HB SER 64 2HB SER 64 -18.806 12.097 12.097 4 HG SER 64 HG SER 64 -21.059 12.483 12.483 5 H LYS 65 H LYS 65 -17.540 9.980 9.980 6 HA LYS 65 HA LYS 65 -16.429 10.948 10.948 7 1HB LYS 65 1HB LYS 65 -19.260 10.683 10.683 8 2HB LYS 65 2HB LYS 65 -18.254 11.709 11.709 9 1HG LYS 65 2HG LYS 65 -16.664 9.837 9.837 10 2HG LYS 65 1HG LYS 65 -17.759 8.820 8.820 11 1HD LYS 65 1HD LYS 65 -19.201 8.564 8.564 12 2HD LYS 65 2HD LYS 65 -18.995 10.228 10.228 13 1HE LYS 65 1HE LYS 65 -17.070 9.707 9.707 14 2HE LYS 65 2HE LYS 65 -16.834 8.182 8.182 15 1HZ LYS 65 1HZ LYS 65 -19.286 8.529 8.529 16 2HZ LYS 65 3HZ LYS 65 -17.842 8.245 8.245 17 3HZ LYS 65 2HZ LYS 65 -18.392 7.126 7.126 18 HA PRO 66 HA PRO 66 -17.519 15.213 15.213 19 1HB PRO 66 1HB PRO 66 -14.560 15.053 15.053 20 2HB PRO 66 2HB PRO 66 -15.641 15.796 15.796 21 1HG PRO 66 2HG PRO 66 -14.509 13.419 13.419 22 2HG PRO 66 1HG PRO 66 -16.167 13.771 13.771 23 1HD PRO 66 1HD PRO 66 -15.204 12.045 12.045 24 2HD PRO 66 2HD PRO 66 -16.701 11.942 11.942 25 H HIS 67 H HIS 67 -14.581 14.597 14.597 26 HA HIS 67 HA HIS 67 -15.525 15.747 15.747 27 1HB HIS 67 1HB HIS 67 -14.747 17.648 17.648 28 2HB HIS 67 2HB HIS 67 -13.595 17.719 17.719 29 HD1 HIS 67 HD1 HIS 67 -17.416 17.535 17.535 30 HD2 HIS 67 HD2 HIS 67 -14.361 19.555 19.555 31 HE1 HIS 67 HE1 HIS 67 -18.540 19.169 19.169 32 H GLN 68 H GLN 68 -12.447 16.109 16.109 33 HA GLN 68 HA GLN 68 -10.906 15.235 15.235 34 1HB GLN 68 2HB GLN 68 -10.328 15.948 15.948 35 2HB GLN 68 1HB GLN 68 -9.113 15.053 15.053 36 1HG GLN 68 1HG GLN 68 -10.063 17.236 17.236 37 2HG GLN 68 2HG GLN 68 -9.578 17.820 17.820 38 1HE2 GLN 68 2HE2 GLN 68 -6.543 18.050 18.050 39 2HE2 GLN 68 1HE2 GLN 68 -8.055 18.859 18.859 40 H TRP 69 H TRP 69 -12.475 13.659 13.659 41 HA TRP 69 HA TRP 69 -11.024 11.363 11.363 42 1HB TRP 69 1HB TRP 69 -13.581 12.266 12.266 43 2HB TRP 69 2HB TRP 69 -13.861 10.763 10.763 44 HD1 TRP 69 HD1 TRP 69 -10.738 11.120 11.120 45 HE1 TRP 69 HE1 TRP 69 -10.938 9.524 9.524 46 HE3 TRP 69 HE3 TRP 69 -15.577 9.602 9.602 47 HZ2 TRP 69 2HZ TRP 69 -12.888 7.843 7.843 48 HZ3 TRP 69 HZ3 TRP 69 -16.534 7.997 7.997 49 HH2 TRP 69 HH2 TRP 69 -15.216 7.137 7.137 50 H GLN 70 H GLN 70 -13.059 12.217 12.217 51 HA GLN 70 HA GLN 70 -13.198 9.641 9.641 52 1HB GLN 70 1HB GLN 70 -14.079 10.727 10.727 53 2HB GLN 70 2HB GLN 70 -14.683 11.611 11.611 54 1HG GLN 70 1HG GLN 70 -12.686 13.177 13.177 55 2HG GLN 70 2HG GLN 70 -12.596 12.425 12.425 56 1HE2 GLN 70 1HE2 GLN 70 -14.743 14.932 14.932 57 2HE2 GLN 70 2HE2 GLN 70 -13.165 14.233 14.233 58 H ALA 71 H ALA 71 -10.955 12.343 12.343 59 HA ALA 71 HA ALA 71 -9.459 11.213 11.213 60 1HB ALA 71 2HB ALA 71 -9.428 13.605 13.605 61 2HB ALA 71 1HB ALA 71 -8.624 13.284 13.284 62 3HB ALA 71 3HB ALA 71 -7.800 12.927 12.927 63 H ASP 72 H ASP 72 -8.925 11.339 11.339 64 HA ASP 72 HA ASP 72 -6.494 9.940 9.940 65 1HB ASP 72 2HB ASP 72 -8.653 10.135 10.135 66 2HB ASP 72 1HB ASP 72 -7.041 9.483 9.483 67 H GLU 73 H GLU 73 -9.842 8.821 8.821 68 HA GLU 73 HA GLU 73 -9.408 6.141 6.141 69 1HB GLU 73 2HB GLU 73 -11.587 7.733 7.733 70 2HB GLU 73 1HB GLU 73 -11.509 6.440 6.440 71 1HG GLU 73 2HG GLU 73 -12.602 5.166 5.166 72 2HG GLU 73 1HG GLU 73 -11.155 5.170 5.170 73 H GLU 74 H GLU 74 -8.963 7.905 7.905 74 HA GLU 74 HA GLU 74 -8.566 5.486 5.486 75 1HB GLU 74 2HB GLU 74 -9.531 7.899 7.899 76 2HB GLU 74 1HB GLU 74 -7.839 8.137 8.137 77 1HG GLU 74 1HG GLU 74 -7.904 6.655 6.655 78 2HG GLU 74 2HG GLU 74 -9.120 5.640 5.640 79 H ALA 75 H ALA 75 -6.705 7.843 7.843 80 HA ALA 75 HA ALA 75 -4.222 7.632 7.632 81 1HB ALA 75 3HB ALA 75 -5.169 8.387 8.387 82 2HB ALA 75 2HB ALA 75 -3.473 7.918 7.918 83 3HB ALA 75 1HB ALA 75 -4.100 9.246 9.246 84 H VAL 76 H VAL 76 -5.561 5.731 5.731 85 HA VAL 76 HA VAL 76 -3.359 4.038 4.038 86 HB VAL 76 HB VAL 76 -5.901 4.354 4.354 87 1HG1 VAL 76 1HG1 VAL 76 -5.452 1.523 1.523 88 2HG1 VAL 76 3HG1 VAL 76 -6.410 1.930 1.930 89 3HG1 VAL 76 2HG1 VAL 76 -6.904 2.512 2.512 90 1HG2 VAL 76 3HG2 VAL 76 -3.733 4.308 4.308 91 2HG2 VAL 76 2HG2 VAL 76 -4.876 3.191 3.191 92 3HG2 VAL 76 1HG2 VAL 76 -3.611 2.575 2.575 93 H ARG 77 H ARG 77 -6.275 3.697 3.697 94 HA ARG 77 HA ARG 77 -5.824 1.106 1.106 95 1HB ARG 77 1HB ARG 77 -7.655 3.172 3.172 96 2HB ARG 77 2HB ARG 77 -6.921 2.804 2.804 97 1HG ARG 77 1HG ARG 77 -8.224 0.797 0.797 98 2HG ARG 77 2HG ARG 77 -8.964 1.514 1.514 99 1HD ARG 77 2HD ARG 77 -7.012 0.593 0.593 100 2HD ARG 77 1HD ARG 77 -6.581 -0.319 -0.319 101 HE ARG 77 HE ARG 77 -8.704 -0.894 -0.894 102 1HH1 ARG 77 2HH1 ARG 77 -7.637 -1.224 -1.224 103 2HH1 ARG 77 1HH1 ARG 77 -8.600 -2.629 -2.629 104 1HH2 ARG 77 2HH2 ARG 77 -9.976 -2.745 -2.745 105 2HH2 ARG 77 1HH2 ARG 77 -9.931 -3.495 -3.495 106 H SER 78 H SER 78 -4.686 4.232 4.232 107 HA SER 78 HA SER 78 -3.077 2.888 2.888 108 1HB SER 78 2HB SER 78 -3.868 5.744 5.744 109 2HB SER 78 1HB SER 78 -2.499 5.371 5.371 110 HG SER 78 HG SER 78 -5.155 5.166 5.166 111 H ALA 79 H ALA 79 -2.572 2.925 2.925 112 HA ALA 79 HA ALA 79 -0.832 3.148 3.148 113 1HB ALA 79 2HB ALA 79 0.676 2.677 2.677 114 2HB ALA 79 1HB ALA 79 1.377 2.560 2.560 115 3HB ALA 79 3HB ALA 79 0.092 1.453 1.453 116 H THR 80 H THR 80 -1.235 5.367 5.367 117 HA THR 80 HA THR 80 0.978 7.040 7.040 118 HB THR 80 HB THR 80 0.497 7.360 7.360 119 HG1 THR 80 1HG THR 80 1.005 9.269 9.269 120 1HG2 THR 80 1HG2 THR 80 -2.318 8.011 8.011 121 2HG2 THR 80 3HG2 THR 80 -1.642 8.293 8.293 122 3HG2 THR 80 2HG2 THR 80 -1.780 6.648 6.648 123 H CYS 81 H CYS 81 -0.599 6.323 6.323 124 HA CYS 81 HA CYS 81 -1.959 8.849 8.849 125 1HB CYS 81 1HB CYS 81 -3.675 7.199 7.199 126 2HB CYS 81 2HB CYS 81 -2.673 6.015 6.015 127 HG CYS 81 HG CYS 81 -3.107 7.212 7.212 128 H SER 82 H SER 82 -0.749 9.972 9.972 129 HA SER 82 HA SER 82 0.638 8.489 8.489 130 1HB SER 82 2HB SER 82 1.875 11.047 11.047 131 2HB SER 82 1HB SER 82 2.623 9.480 9.480 132 HG SER 82 HG SER 82 2.202 10.631 10.631 133 H PHE 83 H PHE 83 0.594 9.391 9.391 134 HA PHE 83 HA PHE 83 -0.547 12.027 12.027 135 1HB PHE 83 1HB PHE 83 -1.945 9.496 9.496 136 2HB PHE 83 2HB PHE 83 -2.245 11.038 11.038 137 HD1 PHE 83 HD2 PHE 83 -2.715 13.023 13.023 138 HD2 PHE 83 HD1 PHE 83 -3.397 8.883 8.883 139 HE1 PHE 83 HE2 PHE 83 -4.366 13.598 13.598 140 HE2 PHE 83 HE1 PHE 83 -5.050 9.450 9.450 141 HZ PHE 83 HZ PHE 83 -5.536 11.810 11.810 142 H SER 84 H SER 84 -0.010 12.937 12.937 143 HA SER 84 HA SER 84 2.295 12.082 12.082 144 1HB SER 84 2HB SER 84 0.130 14.026 14.026 145 2HB SER 84 1HB SER 84 1.425 13.666 13.666 146 HG SER 84 HG SER 84 2.462 15.135 15.135 147 H VAL 85 H VAL 85 2.525 11.523 11.523 148 HA VAL 85 HA VAL 85 0.499 10.416 10.416 149 HB VAL 85 HB VAL 85 0.163 8.763 8.763 150 1HG1 VAL 85 1HG2 VAL 85 3.117 8.683 8.683 151 2HG1 VAL 85 3HG2 VAL 85 2.278 7.157 7.157 152 3HG1 VAL 85 2HG2 VAL 85 1.972 8.539 8.539 153 1HG2 VAL 85 3HG1 VAL 85 0.141 8.083 8.083 154 2HG2 VAL 85 2HG1 VAL 85 0.368 6.779 6.779 155 3HG2 VAL 85 1HG1 VAL 85 1.751 7.405 7.405 156 H LYS 86 H LYS 86 1.315 9.143 9.143 157 HA LYS 86 HA LYS 86 4.161 9.695 9.695 158 1HB LYS 86 1HB LYS 86 1.718 9.883 9.883 159 2HB LYS 86 2HB LYS 86 3.216 9.396 9.396 160 1HG LYS 86 2HG LYS 86 4.241 11.473 11.473 161 2HG LYS 86 1HG LYS 86 2.575 11.977 11.977 162 1HD LYS 86 2HD LYS 86 3.042 11.057 11.057 163 2HD LYS 86 1HD LYS 86 4.028 12.453 12.453 164 1HE LYS 86 1HE LYS 86 1.051 12.310 12.310 165 2HE LYS 86 2HE LYS 86 1.792 12.990 12.990 166 1HZ LYS 86 2HZ LYS 86 2.325 13.950 13.950 167 2HZ LYS 86 1HZ LYS 86 1.223 14.668 14.668 168 3HZ LYS 86 3HZ LYS 86 2.872 14.651 14.651 169 H TYR 87 H TYR 87 4.663 7.646 7.646 170 HA TYR 87 HA TYR 87 3.679 5.174 5.174 171 1HB TYR 87 1HB TYR 87 4.632 5.058 5.058 172 2HB TYR 87 2HB TYR 87 6.009 6.049 6.049 173 HD1 TYR 87 HD2 TYR 87 4.557 2.655 2.655 174 HD2 TYR 87 HD1 TYR 87 8.053 5.071 5.071 175 HE1 TYR 87 HE2 TYR 87 5.935 0.634 0.634 176 HE2 TYR 87 HE1 TYR 87 9.442 3.058 3.058 177 HH TYR 87 HH2 TYR 87 9.229 0.749 0.749 178 H LEU 88 H LEU 88 3.785 4.831 4.831 179 HA LEU 88 HA LEU 88 5.634 5.608 5.608 180 1HB LEU 88 1HB LEU 88 4.154 2.981 2.981 181 2HB LEU 88 2HB LEU 88 4.971 3.607 3.607 182 HG LEU 88 HG LEU 88 2.744 5.106 5.106 183 1HD1 LEU 88 3HD1 LEU 88 2.634 2.889 2.889 184 2HD1 LEU 88 2HD1 LEU 88 1.443 4.188 4.188 185 3HD1 LEU 88 1HD1 LEU 88 1.597 3.201 3.201 186 1HD2 LEU 88 2HD2 LEU 88 4.552 5.840 5.840 187 2HD2 LEU 88 1HD2 LEU 88 3.025 6.638 6.638 188 3HD2 LEU 88 3HD2 LEU 88 3.095 5.417 5.417 189 H GLY 89 H GLY 89 5.738 2.587 2.587 190 1HA GLY 89 1HA GLY 89 8.260 2.327 2.327 191 2HA GLY 89 2HA GLY 89 8.431 2.063 2.063 192 H CYS 90 H CYS 90 9.308 -0.027 -0.027 193 HA CYS 90 HA CYS 90 7.084 -1.933 -1.933 194 1HB CYS 90 1HB CYS 90 8.604 -3.344 -3.344 195 2HB CYS 90 2HB CYS 90 8.189 -1.809 -1.809 196 HG CYS 90 HG CYS 90 10.614 -1.629 -1.629 197 H VAL 91 H VAL 91 7.022 -3.519 -3.519 198 HA VAL 91 HA VAL 91 9.394 -3.954 -3.954 199 HB VAL 91 HB VAL 91 7.572 -4.801 -4.801 200 1HG1 VAL 91 2HG1 VAL 91 8.484 -2.053 -2.053 201 2HG1 VAL 91 1HG1 VAL 91 7.175 -2.223 -2.223 202 3HG1 VAL 91 3HG1 VAL 91 8.718 -3.025 -3.025 203 1HG2 VAL 91 1HG2 VAL 91 5.969 -3.005 -3.005 204 2HG2 VAL 91 3HG2 VAL 91 5.677 -4.712 -4.712 205 3HG2 VAL 91 2HG2 VAL 91 5.462 -3.514 -3.514 206 H GLU 92 H GLU 92 9.900 -6.068 -6.068 207 HA GLU 92 HA GLU 92 9.208 -8.088 -8.088 208 1HB GLU 92 2HB GLU 92 10.616 -9.559 -9.559 209 2HB GLU 92 1HB GLU 92 11.424 -8.083 -8.083 210 1HG GLU 92 1HG GLU 92 11.338 -7.148 -7.148 211 2HG GLU 92 2HG GLU 92 10.027 -8.206 -8.206 212 H VAL 93 H VAL 93 7.821 -9.776 -9.776 213 HA VAL 93 HA VAL 93 6.391 -10.144 -10.144 214 HB VAL 93 HB VAL 93 4.285 -10.506 -10.506 215 1HG1 VAL 93 2HG1 VAL 93 5.163 -8.256 -8.256 216 2HG1 VAL 93 1HG1 VAL 93 5.210 -7.752 -7.752 217 3HG1 VAL 93 3HG1 VAL 93 3.691 -8.285 -8.285 218 1HG2 VAL 93 2HG2 VAL 93 5.716 -10.814 -10.814 219 2HG2 VAL 93 1HG2 VAL 93 4.062 -10.200 -10.200 220 3HG2 VAL 93 3HG2 VAL 93 5.422 -9.081 -9.081 221 H PHE 94 H PHE 94 4.879 -12.210 -12.210 222 HA PHE 94 HA PHE 94 6.610 -14.301 -14.301 223 1HB PHE 94 2HB PHE 94 4.767 -14.503 -14.503 224 2HB PHE 94 1HB PHE 94 5.748 -15.812 -15.812 225 HD1 PHE 94 HD1 PHE 94 8.336 -15.063 -15.063 226 HD2 PHE 94 HD2 PHE 94 5.575 -13.502 -13.502 227 HE1 PHE 94 HE1 PHE 94 10.209 -14.387 -14.387 228 HE2 PHE 94 HE2 PHE 94 7.443 -12.823 -12.823 229 HZ PHE 94 HZ PHE 94 9.764 -13.265 -13.265 230 H GLU 95 H GLU 95 4.378 -12.804 -12.804 231 HA GLU 95 HA GLU 95 2.891 -15.146 -15.146 232 1HB GLU 95 1HB GLU 95 1.756 -12.898 -12.898 233 2HB GLU 95 2HB GLU 95 0.890 -13.280 -13.280 234 1HG GLU 95 1HG GLU 95 1.006 -15.723 -15.723 235 2HG GLU 95 2HG GLU 95 1.291 -14.942 -14.942 236 H SER 96 H SER 96 2.209 -11.719 -11.719 237 HA SER 96 HA SER 96 2.237 -10.424 -10.424 238 1HB SER 96 2HB SER 96 4.480 -12.331 -12.331 239 2HB SER 96 1HB SER 96 3.992 -11.051 -11.051 240 HG SER 96 HG SER 96 4.567 -9.533 -9.533 241 H ARG 97 H ARG 97 0.495 -12.780 -12.780 242 HA ARG 97 HA ARG 97 -0.298 -12.920 -12.920 243 1HB ARG 97 2HB ARG 97 -0.862 -15.451 -15.451 244 2HB ARG 97 1HB ARG 97 0.674 -14.980 -14.980 245 1HG ARG 97 1HG ARG 97 1.828 -15.559 -15.559 246 2HG ARG 97 2HG ARG 97 0.636 -14.857 -14.857 247 1HD ARG 97 2HD ARG 97 -0.370 -16.825 -16.825 248 2HD ARG 97 1HD ARG 97 -0.331 -17.240 -17.240 249 HE ARG 97 HE ARG 97 2.257 -17.517 -17.517 250 1HH1 ARG 97 1HH1 ARG 97 -0.870 -18.934 -18.934 251 2HH1 ARG 97 2HH1 ARG 97 -0.229 -20.474 -20.474 252 1HH2 ARG 97 1HH2 ARG 97 3.112 -19.542 -19.542 253 2HH2 ARG 97 2HH2 ARG 97 2.035 -20.821 -20.821 254 H GLY 98 H GLY 98 -1.245 -11.718 -11.718 255 1HA GLY 98 1HA GLY 98 -4.035 -12.484 -12.484 256 2HA GLY 98 2HA GLY 98 -3.354 -12.736 -12.736 257 H MET 99 H MET 99 -5.503 -11.111 -11.111 258 HA MET 99 HA MET 99 -4.626 -8.358 -8.358 259 1HB MET 99 2HB MET 99 -6.890 -9.210 -9.210 260 2HB MET 99 1HB MET 99 -7.317 -9.359 -9.359 261 1HG MET 99 1HG MET 99 -6.233 -6.746 -6.746 262 2HG MET 99 2HG MET 99 -7.671 -7.141 -7.141 263 1HE MET 99 2HE MET 99 -6.930 -4.936 -4.936 264 2HE MET 99 1HE MET 99 -8.123 -4.814 -4.814 265 3HE MET 99 3HE MET 99 -6.617 -5.694 -5.694 266 H GLN 100 H GLN 100 -5.379 -10.700 -10.700 267 HA GLN 100 HA GLN 100 -5.592 -8.932 -8.932 268 1HB GLN 100 2HB GLN 100 -5.405 -11.795 -11.795 269 2HB GLN 100 1HB GLN 100 -4.487 -11.299 -11.299 270 1HG GLN 100 2HG GLN 100 -6.415 -10.320 -10.320 271 2HG GLN 100 1HG GLN 100 -7.358 -10.543 -10.543 272 1HE2 GLN 100 1HE2 GLN 100 -8.140 -13.200 -13.200 273 2HE2 GLN 100 2HE2 GLN 100 -8.093 -11.474 -11.474 274 H VAL 101 H VAL 101 -2.883 -9.870 -9.870 275 HA VAL 101 HA VAL 101 -0.948 -9.378 -9.378 276 HB VAL 101 HB VAL 101 -0.434 -9.819 -9.819 277 1HG1 VAL 101 2HG1 VAL 101 1.285 -9.715 -9.715 278 2HG1 VAL 101 1HG1 VAL 101 1.757 -10.724 -10.724 279 3HG1 VAL 101 3HG1 VAL 101 1.542 -8.987 -8.987 280 1HG2 VAL 101 2HG2 VAL 101 -1.634 -11.621 -11.621 281 2HG2 VAL 101 1HG2 VAL 101 -0.681 -12.033 -12.033 282 3HG2 VAL 101 3HG2 VAL 101 0.072 -12.038 -12.038 283 H CYS 102 H CYS 102 -2.533 -7.586 -7.586 284 HA CYS 102 HA CYS 102 -0.542 -5.597 -5.597 285 1HB CYS 102 1HB CYS 102 -2.122 -4.435 -4.435 286 2HB CYS 102 2HB CYS 102 -2.541 -6.128 -6.128 287 HG CYS 102 HG CYS 102 -4.680 -4.616 -4.616 288 H GLU 103 H GLU 103 -3.241 -5.944 -5.944 289 HA GLU 103 HA GLU 103 -3.293 -3.342 -3.342 290 1HB GLU 103 2HB GLU 103 -4.479 -5.854 -5.854 291 2HB GLU 103 1HB GLU 103 -3.818 -5.183 -5.183 292 1HG GLU 103 1HG GLU 103 -5.160 -3.272 -3.272 293 2HG GLU 103 2HG GLU 103 -5.542 -3.552 -3.552 294 H GLU 104 H GLU 104 -1.703 -6.208 -6.208 295 HA GLU 104 HA GLU 104 -0.251 -4.754 -4.754 296 1HB GLU 104 1HB GLU 104 1.060 -6.820 -6.820 297 2HB GLU 104 2HB GLU 104 -0.665 -7.153 -7.153 298 1HG GLU 104 1HG GLU 104 -0.374 -7.705 -7.705 299 2HG GLU 104 2HG GLU 104 1.367 -7.622 -7.622 300 H ALA 105 H ALA 105 0.411 -5.619 -5.619 301 HA ALA 105 HA ALA 105 3.179 -4.986 -4.986 302 1HB ALA 105 1HB ALA 105 1.125 -5.404 -5.404 303 2HB ALA 105 3HB ALA 105 2.668 -4.668 -4.668 304 3HB ALA 105 2HB ALA 105 2.633 -6.271 -6.271 305 H LEU 106 H LEU 106 0.292 -3.095 -3.095 306 HA LEU 106 HA LEU 106 1.702 -0.722 -0.722 307 1HB LEU 106 1HB LEU 106 -0.690 -1.438 -1.438 308 2HB LEU 106 2HB LEU 106 -1.164 -0.805 -0.805 309 HG LEU 106 HG LEU 106 0.447 1.143 1.143 310 1HD1 LEU 106 2HD2 LEU 106 -1.348 -0.372 -0.372 311 2HD1 LEU 106 1HD2 LEU 106 -1.757 1.344 1.344 312 3HD1 LEU 106 3HD2 LEU 106 -0.136 0.837 0.837 313 1HD2 LEU 106 2HD1 LEU 106 -2.286 0.934 0.934 314 2HD2 LEU 106 1HD1 LEU 106 -0.946 1.993 1.993 315 3HD2 LEU 106 3HD1 LEU 106 -1.887 2.324 2.324 316 H LYS 107 H LYS 107 0.629 -2.197 -2.197 317 HA LYS 107 HA LYS 107 0.767 0.258 0.258 318 1HB LYS 107 2HB LYS 107 -0.043 -0.938 -0.938 319 2HB LYS 107 1HB LYS 107 -0.741 -1.828 -1.828 320 1HG LYS 107 1HG LYS 107 0.020 -3.476 -3.476 321 2HG LYS 107 2HG LYS 107 1.270 -3.378 -3.378 322 1HD LYS 107 2HD LYS 107 2.817 -2.776 -2.776 323 2HD LYS 107 1HD LYS 107 1.769 -1.569 -1.569 324 1HE LYS 107 2HE LYS 107 2.303 -3.173 -3.173 325 2HE LYS 107 1HE LYS 107 0.625 -3.440 -3.440 326 1HZ LYS 107 2HZ LYS 107 1.405 -5.243 -5.243 327 2HZ LYS 107 1HZ LYS 107 2.976 -5.026 -5.026 328 3HZ LYS 107 3HZ LYS 107 1.747 -5.534 -5.534 329 H VAL 108 H VAL 108 2.690 -2.604 -2.604 330 HA VAL 108 HA VAL 108 4.716 -2.303 -2.303 331 HB VAL 108 HB VAL 108 4.896 -3.312 -3.312 332 1HG1 VAL 108 2HG1 VAL 108 6.884 -3.597 -3.597 333 2HG1 VAL 108 1HG1 VAL 108 6.965 -4.443 -4.443 334 3HG1 VAL 108 3HG1 VAL 108 7.112 -2.686 -2.686 335 1HG2 VAL 108 2HG2 VAL 108 3.514 -4.384 -4.384 336 2HG2 VAL 108 1HG2 VAL 108 4.190 -5.311 -5.311 337 3HG2 VAL 108 3HG2 VAL 108 5.077 -5.182 -5.182 338 H LEU 109 H LEU 109 4.644 -1.068 -1.068 339 HA LEU 109 HA LEU 109 7.015 0.381 0.381 340 1HB LEU 109 1HB LEU 109 4.485 0.860 0.860 341 2HB LEU 109 2HB LEU 109 5.974 1.748 1.748 342 HG LEU 109 HG LEU 109 6.030 -1.237 -1.237 343 1HD1 LEU 109 2HD1 LEU 109 5.050 0.552 0.552 344 2HD1 LEU 109 1HD1 LEU 109 5.544 -1.128 -1.128 345 3HD1 LEU 109 3HD1 LEU 109 4.153 -0.736 -0.736 346 1HD2 LEU 109 1HD2 LEU 109 8.094 0.084 0.084 347 2HD2 LEU 109 3HD2 LEU 109 7.833 -0.833 -0.833 348 3HD2 LEU 109 2HD2 LEU 109 7.509 0.899 0.899 349 H ARG 110 H ARG 110 3.917 1.080 1.080 350 HA ARG 110 HA ARG 110 4.469 3.886 3.886 351 1HB ARG 110 2HB ARG 110 2.165 3.094 3.094 352 2HB ARG 110 1HB ARG 110 2.267 2.117 2.117 353 1HG ARG 110 2HG ARG 110 1.026 4.236 4.236 354 2HG ARG 110 1HG ARG 110 2.416 4.073 4.073 355 1HD ARG 110 2HD ARG 110 3.624 5.694 5.694 356 2HD ARG 110 1HD ARG 110 2.773 5.453 5.453 357 HE ARG 110 HE ARG 110 1.177 6.959 6.959 358 1HH1 ARG 110 1HH1 ARG 110 3.195 6.093 6.093 359 2HH1 ARG 110 2HH1 ARG 110 2.555 7.323 7.323 360 1HH2 ARG 110 1HH2 ARG 110 0.326 8.581 8.581 361 2HH2 ARG 110 2HH2 ARG 110 0.923 8.738 8.738 362 H GLN 111 H GLN 111 4.813 0.874 0.874 363 HA GLN 111 HA GLN 111 5.345 2.136 2.136 364 1HB GLN 111 2HB GLN 111 5.132 0.030 0.030 365 2HB GLN 111 1HB GLN 111 4.087 -0.123 -0.123 366 1HG GLN 111 2HG GLN 111 5.202 -1.977 -1.977 367 2HG GLN 111 1HG GLN 111 6.538 -0.938 -0.938 368 1HE2 GLN 111 2HE2 GLN 111 8.642 -2.241 -2.241 369 2HE2 GLN 111 1HE2 GLN 111 8.396 -1.538 -1.538 370 H SER 112 H SER 112 7.102 1.370 1.370 371 HA SER 112 HA SER 112 9.618 1.051 1.051 372 1HB SER 112 2HB SER 112 10.539 0.111 0.111 373 2HB SER 112 1HB SER 112 8.954 -0.633 -0.633 374 HG SER 112 HG SER 112 8.170 1.039 1.039 375 H ARG 113 H ARG 113 11.386 1.853 1.853 376 HA ARG 113 HA ARG 113 11.181 4.726 4.726 377 1HB ARG 113 2HB ARG 113 13.460 4.785 4.785 378 2HB ARG 113 1HB ARG 113 13.316 3.496 3.496 379 1HG ARG 113 2HG ARG 113 14.194 2.086 2.086 380 2HG ARG 113 1HG ARG 113 12.809 2.342 2.342 381 1HD ARG 113 1HD ARG 113 14.112 3.371 3.371 382 2HD ARG 113 2HD ARG 113 14.549 4.574 4.574 383 HE ARG 113 HE ARG 113 16.593 3.589 3.589 384 1HH1 ARG 113 1HH1 ARG 113 14.314 1.231 1.231 385 2HH1 ARG 113 2HH1 ARG 113 15.512 0.001 0.001 386 1HH2 ARG 113 1HH2 ARG 113 18.178 1.978 1.978 387 2HH2 ARG 113 2HH2 ARG 113 17.709 0.426 0.426 388 H ARG 114 H ARG 114 10.602 2.294 2.294 389 HA ARG 114 HA ARG 114 11.036 3.511 3.511 390 1HB ARG 114 2HB ARG 114 9.058 1.545 1.545 391 2HB ARG 114 1HB ARG 114 8.720 2.266 2.266 392 1HG ARG 114 2HG ARG 114 11.136 0.659 0.659 393 2HG ARG 114 1HG ARG 114 9.886 0.222 0.222 394 1HD ARG 114 2HD ARG 114 11.235 1.061 1.061 395 2HD ARG 114 1HD ARG 114 10.813 2.651 2.651 396 HE ARG 114 HE ARG 114 12.889 1.765 1.765 397 1HH1 ARG 114 1HH1 ARG 114 12.380 2.359 2.359 398 2HH1 ARG 114 2HH1 ARG 114 14.034 2.771 2.771 399 1HH2 ARG 114 2HH2 ARG 114 15.069 2.306 2.306 400 2HH2 ARG 114 1HH2 ARG 114 15.563 2.741 2.741 401 H ARG 115 H ARG 115 10.707 5.733 5.733 402 HA ARG 115 HA ARG 115 8.112 6.809 6.809 403 1HB ARG 115 1HB ARG 115 9.096 8.965 8.965 404 2HB ARG 115 2HB ARG 115 10.278 7.971 7.971 405 1HG ARG 115 2HG ARG 115 10.684 7.714 7.714 406 2HG ARG 115 1HG ARG 115 10.604 9.425 9.425 407 1HD ARG 115 2HD ARG 115 12.365 9.210 9.210 408 2HD ARG 115 1HD ARG 115 12.310 7.450 7.450 409 HE ARG 115 HE ARG 115 12.893 8.574 8.574 410 1HH1 ARG 115 1HH1 ARG 115 14.305 7.850 7.850 411 2HH1 ARG 115 2HH1 ARG 115 15.913 7.700 7.700 412 1HH2 ARG 115 1HH2 ARG 115 15.007 8.378 8.378 413 2HH2 ARG 115 2HH2 ARG 115 16.313 8.000 8.000 414 HA PRO 116 HA PRO 116 6.386 7.011 7.011 415 1HB PRO 116 1HB PRO 116 5.317 9.662 9.662 416 2HB PRO 116 2HB PRO 116 4.468 8.120 8.120 417 1HG PRO 116 1HG PRO 116 4.773 9.620 9.620 418 2HG PRO 116 2HG PRO 116 4.582 7.859 7.859 419 1HD PRO 116 1HD PRO 116 7.060 9.500 9.500 420 2HD PRO 116 2HD PRO 116 6.593 7.991 7.991 421 H VAL 117 H VAL 117 6.419 8.137 8.137 422 HA VAL 117 HA VAL 117 8.678 10.015 10.015 423 HB VAL 117 HB VAL 117 9.036 7.724 7.724 424 1HG1 VAL 117 2HG2 VAL 117 6.556 7.966 7.966 425 2HG1 VAL 117 1HG2 VAL 117 7.521 8.481 8.481 426 3HG1 VAL 117 3HG2 VAL 117 7.792 6.896 6.896 427 1HG2 VAL 117 2HG1 VAL 117 9.452 10.332 10.332 428 2HG2 VAL 117 1HG1 VAL 117 10.608 9.058 9.058 429 3HG2 VAL 117 3HG1 VAL 117 9.632 8.945 8.945 430 H ARG 118 H ARG 118 8.107 11.999 11.999 431 HA ARG 118 HA ARG 118 5.519 12.575 12.575 432 1HB ARG 118 2HB ARG 118 6.877 14.041 14.041 433 2HB ARG 118 1HB ARG 118 7.822 14.508 14.508 434 1HG ARG 118 2HG ARG 118 5.206 14.867 14.867 435 2HG ARG 118 1HG ARG 118 5.211 15.409 15.409 436 1HD ARG 118 2HD ARG 118 6.714 17.102 17.102 437 2HD ARG 118 1HD ARG 118 7.400 16.298 16.298 438 HE ARG 118 HE ARG 118 4.808 16.898 16.898 439 1HH1 ARG 118 1HH1 ARG 118 7.614 18.681 18.681 440 2HH1 ARG 118 2HH1 ARG 118 7.181 20.117 20.117 441 1HH2 ARG 118 2HH2 ARG 118 4.228 18.783 18.783 442 2HH2 ARG 118 1HH2 ARG 118 5.256 20.175 20.175 443 H GLY 119 H GLY 119 6.128 11.024 11.024 444 1HA GLY 119 2HA GLY 119 7.354 12.624 12.624 445 2HA GLY 119 1HA GLY 119 7.564 10.885 10.885 446 H LEU 120 H LEU 120 6.770 10.795 10.795 447 HA LEU 120 HA LEU 120 3.844 11.081 11.081 448 1HB LEU 120 2HB LEU 120 6.020 11.820 11.820 449 2HB LEU 120 1HB LEU 120 4.752 10.900 10.900 450 HG LEU 120 HG LEU 120 4.503 13.558 13.558 451 1HD1 LEU 120 3HD1 LEU 120 5.257 13.200 13.200 452 2HD1 LEU 120 2HD1 LEU 120 3.538 12.912 12.912 453 3HD1 LEU 120 1HD1 LEU 120 4.080 14.450 14.450 454 1HD2 LEU 120 1HD2 LEU 120 2.546 11.471 11.471 455 2HD2 LEU 120 3HD2 LEU 120 2.417 13.045 13.045 456 3HD2 LEU 120 2HD2 LEU 120 2.055 12.884 12.884 457 H LEU 121 H LEU 121 2.699 9.277 9.277 458 HA LEU 121 HA LEU 121 4.094 6.765 6.765 459 1HB LEU 121 1HB LEU 121 2.459 6.687 6.687 460 2HB LEU 121 2HB LEU 121 1.256 7.470 7.470 461 HG LEU 121 HG LEU 121 0.888 5.510 5.510 462 1HD1 LEU 121 2HD1 LEU 121 3.593 4.857 4.857 463 2HD1 LEU 121 1HD1 LEU 121 2.490 3.487 3.487 464 3HD1 LEU 121 3HD1 LEU 121 2.681 4.320 4.320 465 1HD2 LEU 121 2HD2 LEU 121 0.935 5.284 5.284 466 2HD2 LEU 121 1HD2 LEU 121 -0.368 4.968 4.968 467 3HD2 LEU 121 3HD2 LEU 121 0.869 3.744 3.744 468 H HIS 122 H HIS 122 4.656 6.545 6.545 469 HA HIS 122 HA HIS 122 2.965 7.386 7.386 470 1HB HIS 122 2HB HIS 122 5.496 5.731 5.731 471 2HB HIS 122 1HB HIS 122 4.695 6.283 6.283 472 HD1 HIS 122 HD1 HIS 122 4.252 9.157 9.157 473 HD2 HIS 122 HD2 HIS 122 7.567 7.320 7.320 474 HE1 HIS 122 HE1 HIS 122 5.966 10.982 10.982 475 H VAL 123 H VAL 123 1.094 6.325 6.325 476 HA VAL 123 HA VAL 123 1.133 3.387 3.387 477 HB VAL 123 HB VAL 123 -1.258 5.228 5.228 478 1HG1 VAL 123 3HG1 VAL 123 -1.009 2.230 2.230 479 2HG1 VAL 123 2HG1 VAL 123 -2.457 3.107 3.107 480 3HG1 VAL 123 1HG1 VAL 123 -1.894 3.205 3.205 481 1HG2 VAL 123 1HG2 VAL 123 0.523 4.593 4.593 482 2HG2 VAL 123 3HG2 VAL 123 -1.105 5.245 5.245 483 3HG2 VAL 123 2HG2 VAL 123 -0.840 3.503 3.503 484 H SER 124 H SER 124 0.765 2.277 2.277 485 HA SER 124 HA SER 124 -0.378 3.685 3.685 486 1HB SER 124 2HB SER 124 1.896 2.181 2.181 487 2HB SER 124 1HB SER 124 1.530 3.892 3.892 488 HG SER 124 HG SER 124 3.381 2.798 2.798 489 H GLY 125 H GLY 125 -1.235 1.468 1.468 490 1HA GLY 125 2HA GLY 125 -2.101 -0.661 -0.661 491 2HA GLY 125 1HA GLY 125 -2.482 -0.179 -0.179 492 H ASP 126 H ASP 126 0.830 -0.310 -0.310 493 HA ASP 126 HA ASP 126 1.306 -3.016 -3.016 494 1HB ASP 126 2HB ASP 126 0.887 -1.812 -1.812 495 2HB ASP 126 1HB ASP 126 2.384 -0.936 -0.936 496 H GLY 127 H GLY 127 1.993 -0.882 -0.882 497 1HA GLY 127 2HA GLY 127 4.293 -1.743 -1.743 498 2HA GLY 127 1HA GLY 127 4.887 -0.707 -0.707 499 H LEU 128 H LEU 128 4.001 -0.839 -0.839 500 HA LEU 128 HA LEU 128 3.284 1.982 1.982 501 1HB LEU 128 1HB LEU 128 3.701 0.162 0.162 502 2HB LEU 128 2HB LEU 128 2.658 1.565 1.565 503 HG LEU 128 HG LEU 128 2.060 -0.825 -0.825 504 1HD1 LEU 128 2HD1 LEU 128 2.316 -0.992 -0.992 505 2HD1 LEU 128 1HD1 LEU 128 0.590 -0.959 -0.959 506 3HD1 LEU 128 3HD1 LEU 128 1.623 -2.181 -2.181 507 1HD2 LEU 128 2HD2 LEU 128 0.881 1.488 1.488 508 2HD2 LEU 128 1HD2 LEU 128 -0.089 0.016 0.016 509 3HD2 LEU 128 3HD2 LEU 128 0.113 0.895 0.895 510 H ARG 129 H ARG 129 5.050 3.234 3.234 511 HA ARG 129 HA ARG 129 7.509 2.547 2.547 512 1HB ARG 129 1HB ARG 129 7.112 4.533 4.533 513 2HB ARG 129 2HB ARG 129 8.650 4.069 4.069 514 1HG ARG 129 2HG ARG 129 8.300 1.766 1.766 515 2HG ARG 129 1HG ARG 129 6.793 2.277 2.277 516 1HD ARG 129 2HD ARG 129 7.894 3.575 3.575 517 2HD ARG 129 1HD ARG 129 9.376 3.653 3.653 518 HE ARG 129 HE ARG 129 9.194 1.032 1.032 519 1HH1 ARG 129 1HH1 ARG 129 8.939 3.856 3.856 520 2HH1 ARG 129 2HH1 ARG 129 9.555 3.059 3.059 521 1HH2 ARG 129 1HH2 ARG 129 10.004 -0.025 -0.025 522 2HH2 ARG 129 2HH2 ARG 129 10.161 0.853 0.853 523 H VAL 130 H VAL 130 6.959 3.326 3.326 524 HA VAL 130 HA VAL 130 6.114 6.077 6.077 525 HB VAL 130 HB VAL 130 5.223 4.426 4.426 526 1HG1 VAL 130 1HG2 VAL 130 7.900 3.471 3.471 527 2HG1 VAL 130 3HG2 VAL 130 7.442 3.880 3.880 528 3HG1 VAL 130 2HG2 VAL 130 6.464 2.745 2.745 529 1HG2 VAL 130 3HG1 VAL 130 6.049 6.860 6.860 530 2HG2 VAL 130 2HG1 VAL 130 5.298 5.757 5.757 531 3HG2 VAL 130 1HG1 VAL 130 7.055 5.919 5.919 532 H VAL 131 H VAL 131 7.556 7.663 7.663 533 HA VAL 131 HA VAL 131 10.262 7.228 7.228 534 HB VAL 131 HB VAL 131 10.400 7.331 7.331 535 1HG1 VAL 131 2HG2 VAL 131 8.347 9.292 9.292 536 2HG1 VAL 131 1HG2 VAL 131 9.695 9.992 9.992 537 3HG1 VAL 131 3HG2 VAL 131 8.932 8.508 8.508 538 1HG2 VAL 131 1HG1 VAL 131 11.713 9.123 9.123 539 2HG2 VAL 131 3HG1 VAL 131 12.313 8.421 8.421 540 3HG2 VAL 131 2HG1 VAL 131 11.450 9.958 9.958 541 H ASP 132 H ASP 132 11.117 8.787 8.787 542 HA ASP 132 HA ASP 132 9.388 10.589 10.589 543 1HB ASP 132 2HB ASP 132 11.528 9.547 9.547 544 2HB ASP 132 1HB ASP 132 12.402 10.767 10.767 545 H ASP 133 H ASP 133 9.190 12.817 12.817 546 HA ASP 133 HA ASP 133 9.964 13.994 13.994 547 1HB ASP 133 2HB ASP 133 7.613 14.168 14.168 548 2HB ASP 133 1HB ASP 133 8.129 15.059 15.059 549 H GLU 134 H GLU 134 11.685 13.628 13.628 550 HA GLU 134 HA GLU 134 12.665 16.406 16.406 551 1HB GLU 134 1HB GLU 134 11.631 15.406 15.406 552 2HB GLU 134 2HB GLU 134 13.108 14.456 14.456 553 1HG GLU 134 1HG GLU 134 13.644 16.252 16.252 554 2HG GLU 134 2HG GLU 134 14.280 16.767 16.767 555 H THR 135 H THR 135 13.515 12.985 12.985 556 HA THR 135 HA THR 135 16.305 13.684 13.684 557 HB THR 135 HB THR 135 16.719 11.232 11.232 558 HG1 THR 135 1HG THR 135 14.508 10.593 10.593 559 1HG2 THR 135 1HG2 THR 135 15.990 13.297 13.297 560 2HG2 THR 135 3HG2 THR 135 15.897 11.649 11.649 561 3HG2 THR 135 2HG2 THR 135 17.406 12.248 12.248 562 H LYS 136 H LYS 136 13.446 12.243 12.243 563 HA LYS 136 HA LYS 136 12.913 11.534 11.534 564 1HB LYS 136 1HB LYS 136 15.331 13.143 13.143 565 2HB LYS 136 2HB LYS 136 15.077 11.923 11.923 566 1HG LYS 136 1HG LYS 136 14.039 13.891 13.891 567 2HG LYS 136 2HG LYS 136 12.739 12.822 12.822 568 1HD LYS 136 2HD LYS 136 12.366 14.060 14.060 569 2HD LYS 136 1HD LYS 136 13.909 14.907 14.907 570 1HE LYS 136 2HE LYS 136 12.041 15.245 15.245 571 2HE LYS 136 1HE LYS 136 11.537 15.965 15.965 572 1HZ LYS 136 3HZ LYS 136 14.162 16.671 16.671 573 2HZ LYS 136 2HZ LYS 136 13.565 16.817 16.817 574 3HZ LYS 136 1HZ LYS 136 12.831 17.666 17.666 575 H GLY 137 H GLY 137 14.097 9.753 9.753 576 1HA GLY 137 1HA GLY 137 15.674 7.949 7.949 577 2HA GLY 137 2HA GLY 137 15.597 7.876 7.876 578 H LEU 138 H LEU 138 14.922 6.037 6.037 579 HA LEU 138 HA LEU 138 12.163 5.440 5.440 580 1HB LEU 138 1HB LEU 138 13.448 4.777 4.777 581 2HB LEU 138 2HB LEU 138 14.496 3.779 3.779 582 HG LEU 138 HG LEU 138 12.801 2.161 2.161 583 1HD1 LEU 138 1HD1 LEU 138 10.894 4.178 4.178 584 2HD1 LEU 138 3HD1 LEU 138 10.484 2.494 2.494 585 3HD1 LEU 138 2HD1 LEU 138 10.924 3.563 3.563 586 1HD2 LEU 138 3HD2 LEU 138 13.112 3.163 3.163 587 2HD2 LEU 138 2HD2 LEU 138 13.607 1.629 1.629 588 3HD2 LEU 138 1HD2 LEU 138 11.915 1.904 1.904 589 H ILE 139 H ILE 139 11.102 4.512 4.512 590 HA ILE 139 HA ILE 139 12.568 3.141 3.141 591 HB ILE 139 HB ILE 139 9.602 3.634 3.634 592 1HG1 ILE 139 2HG1 ILE 139 11.814 5.506 5.506 593 2HG1 ILE 139 1HG1 ILE 139 10.656 5.782 5.782 594 1HG2 ILE 139 3HG2 ILE 139 11.524 2.585 2.585 595 2HG2 ILE 139 2HG2 ILE 139 10.592 3.924 3.924 596 3HG2 ILE 139 1HG2 ILE 139 9.762 2.510 2.510 597 1HD1 ILE 139 1HD1 ILE 139 9.359 5.258 5.258 598 2HD1 ILE 139 3HD1 ILE 139 10.437 6.653 6.653 599 3HD1 ILE 139 2HD1 ILE 139 9.142 6.591 6.591 600 H VAL 140 H VAL 140 9.605 2.487 2.487 601 HA VAL 140 HA VAL 140 10.251 -0.381 -0.381 602 HB VAL 140 HB VAL 140 7.481 0.774 0.774 603 1HG1 VAL 140 1HG1 VAL 140 7.867 -1.513 -1.513 604 2HG1 VAL 140 3HG1 VAL 140 8.365 -2.012 -2.012 605 3HG1 VAL 140 2HG1 VAL 140 6.713 -1.461 -1.461 606 1HG2 VAL 140 3HG2 VAL 140 8.913 -0.160 -0.160 607 2HG2 VAL 140 2HG2 VAL 140 8.215 1.430 1.430 608 3HG2 VAL 140 1HG2 VAL 140 7.162 0.028 0.028 609 H ASP 141 H ASP 141 10.938 -1.157 -1.157 610 HA ASP 141 HA ASP 141 9.845 -0.003 -0.003 611 1HB ASP 141 2HB ASP 141 12.359 0.143 0.143 612 2HB ASP 141 1HB ASP 141 12.399 -1.592 -1.592 613 H GLN 142 H GLN 142 8.084 -1.290 -1.290 614 HA GLN 142 HA GLN 142 8.672 -4.084 -4.084 615 1HB GLN 142 2HB GLN 142 7.296 -3.410 -3.410 616 2HB GLN 142 1HB GLN 142 5.994 -3.669 -3.669 617 1HG GLN 142 1HG GLN 142 6.277 -5.752 -5.752 618 2HG GLN 142 2HG GLN 142 7.193 -5.874 -5.874 619 1HE2 GLN 142 1HE2 GLN 142 9.485 -7.354 -7.354 620 2HE2 GLN 142 2HE2 GLN 142 8.106 -7.700 -7.700 621 H THR 143 H THR 143 6.079 -4.808 -4.808 622 HA THR 143 HA THR 143 5.345 -2.858 -2.858 623 HB THR 143 HB THR 143 6.905 -4.654 -4.654 624 HG1 THR 143 1HG THR 143 4.383 -4.670 -4.670 625 1HG2 THR 143 2HG2 THR 143 5.587 -6.464 -6.464 626 2HG2 THR 143 1HG2 THR 143 4.542 -6.438 -6.438 627 3HG2 THR 143 3HG2 THR 143 6.254 -6.822 -6.822 628 H ILE 144 H ILE 144 4.276 -4.294 -4.294 629 HA ILE 144 HA ILE 144 2.275 -4.775 -4.775 630 HB ILE 144 HB ILE 144 1.716 -2.689 -2.689 631 1HG1 ILE 144 1HG1 ILE 144 -0.387 -4.563 -4.563 632 2HG1 ILE 144 2HG1 ILE 144 0.510 -3.345 -3.345 633 1HG2 ILE 144 1HG2 ILE 144 0.959 -4.711 -4.711 634 2HG2 ILE 144 3HG2 ILE 144 -0.485 -3.858 -3.858 635 3HG2 ILE 144 2HG2 ILE 144 0.863 -2.961 -2.961 636 1HD1 ILE 144 2HD1 ILE 144 -0.541 -1.614 -1.614 637 2HD1 ILE 144 1HD1 ILE 144 -1.558 -2.889 -2.889 638 3HD1 ILE 144 3HD1 ILE 144 -1.661 -2.490 -2.490 639 H GLU 145 H GLU 145 3.514 -6.571 -6.571 640 HA GLU 145 HA GLU 145 1.171 -8.349 -8.349 641 1HB GLU 145 1HB GLU 145 1.793 -9.102 -9.102 642 2HB GLU 145 2HB GLU 145 2.248 -7.411 -7.411 643 1HG GLU 145 1HG GLU 145 4.158 -8.244 -8.244 644 2HG GLU 145 2HG GLU 145 4.560 -8.467 -8.467 645 H LYS 146 H LYS 146 4.589 -8.096 -8.096 646 HA LYS 146 HA LYS 146 4.821 -10.894 -10.894 647 1HB LYS 146 2HB LYS 146 6.630 -9.021 -9.021 648 2HB LYS 146 1HB LYS 146 6.990 -9.100 -9.100 649 1HG LYS 146 2HG LYS 146 8.371 -10.740 -10.740 650 2HG LYS 146 1HG LYS 146 6.915 -11.701 -11.701 651 1HD LYS 146 1HD LYS 146 6.707 -12.174 -12.174 652 2HD LYS 146 2HD LYS 146 6.970 -10.492 -10.492 653 1HE LYS 146 1HE LYS 146 9.241 -10.761 -10.761 654 2HE LYS 146 2HE LYS 146 9.295 -12.108 -12.108 655 1HZ LYS 146 1HZ LYS 146 7.803 -12.559 -12.559 656 2HZ LYS 146 3HZ LYS 146 9.479 -12.414 -12.414 657 3HZ LYS 146 2HZ LYS 146 8.833 -13.599 -13.599 658 H VAL 147 H VAL 147 4.006 -7.896 -7.896 659 HA VAL 147 HA VAL 147 4.790 -8.393 -8.393 660 HB VAL 147 HB VAL 147 4.241 -6.152 -6.152 661 1HG1 VAL 147 1HG2 VAL 147 1.421 -7.192 -7.192 662 2HG1 VAL 147 3HG2 VAL 147 1.895 -5.501 -5.501 663 3HG1 VAL 147 2HG2 VAL 147 2.460 -6.693 -6.693 664 1HG2 VAL 147 1HG1 VAL 147 4.030 -6.722 -6.722 665 2HG2 VAL 147 3HG1 VAL 147 3.020 -5.369 -5.369 666 3HG2 VAL 147 2HG1 VAL 147 2.301 -6.960 -6.960 667 H SER 148 H SER 148 3.228 -8.717 -8.717 668 HA SER 148 HA SER 148 1.570 -11.011 -11.011 669 1HB SER 148 1HB SER 148 3.109 -10.195 -10.195 670 2HB SER 148 2HB SER 148 1.444 -10.077 -10.077 671 HG SER 148 HG SER 148 1.397 -12.165 -12.165 672 H PHE 149 H PHE 149 0.807 -8.054 -8.054 673 HA PHE 149 HA PHE 149 -1.239 -7.106 -7.106 674 1HB PHE 149 1HB PHE 149 -2.532 -9.007 -9.007 675 2HB PHE 149 2HB PHE 149 -3.287 -8.111 -8.111 676 HD1 PHE 149 HD1 PHE 149 -2.067 -8.650 -8.650 677 HD2 PHE 149 HD2 PHE 149 -2.339 -11.257 -11.257 678 HE1 PHE 149 HE1 PHE 149 -1.782 -10.587 -10.587 679 HE2 PHE 149 HE2 PHE 149 -2.053 -13.199 -13.199 680 HZ PHE 149 HZ PHE 149 -1.775 -12.866 -12.866 681 H CYS 150 H CYS 150 -3.133 -6.125 -6.125 682 HA CYS 150 HA CYS 150 -1.736 -4.930 -4.930 683 1HB CYS 150 2HB CYS 150 -3.121 -2.921 -2.921 684 2HB CYS 150 1HB CYS 150 -2.117 -3.319 -3.319 685 HG CYS 150 HG CYS 150 -4.366 -4.368 -4.368 686 H ALA 151 H ALA 151 -3.544 -3.734 -3.734 687 HA ALA 151 HA ALA 151 -6.065 -4.771 -4.771 688 1HB ALA 151 1HB ALA 151 -3.997 -6.605 -6.605 689 2HB ALA 151 3HB ALA 151 -5.067 -6.151 -6.151 690 3HB ALA 151 2HB ALA 151 -5.738 -6.851 -6.851 691 HA PRO 152 HA PRO 152 -5.066 -1.178 -1.178 692 1HB PRO 152 1HB PRO 152 -7.610 -0.216 -0.216 693 2HB PRO 152 2HB PRO 152 -6.509 0.077 0.077 694 1HG PRO 152 1HG PRO 152 -8.701 -1.946 -1.946 695 2HG PRO 152 2HG PRO 152 -8.285 -0.914 -0.914 696 1HD PRO 152 1HD PRO 152 -7.558 -3.512 -3.512 697 2HD PRO 152 2HD PRO 152 -6.550 -2.286 -2.286 698 H ASP 153 H ASP 153 -5.227 -0.833 -0.833 699 HA ASP 153 HA ASP 153 -6.207 -2.904 -2.904 700 1HB ASP 153 2HB ASP 153 -5.590 -0.127 -0.127 701 2HB ASP 153 1HB ASP 153 -5.327 -1.666 -1.666 702 H ARG 154 H ARG 154 -7.322 -1.153 -1.153 703 HA ARG 154 HA ARG 154 -10.021 -0.935 -0.935 704 1HB ARG 154 1HB ARG 154 -9.174 -0.905 -0.905 705 2HB ARG 154 2HB ARG 154 -10.820 -0.994 -0.994 706 1HG ARG 154 2HG ARG 154 -8.686 -3.091 -3.091 707 2HG ARG 154 1HG ARG 154 -10.050 -3.168 -3.168 708 1HD ARG 154 2HD ARG 154 -11.414 -2.740 -2.740 709 2HD ARG 154 1HD ARG 154 -9.986 -3.485 -3.485 710 HE ARG 154 HE ARG 154 -10.922 -5.030 -5.030 711 1HH1 ARG 154 2HH2 ARG 154 -11.655 -4.220 -4.220 712 2HH1 ARG 154 1HH2 ARG 154 -12.473 -5.712 -5.712 713 1HH2 ARG 154 1HH1 ARG 154 -11.998 -6.998 -6.998 714 2HH2 ARG 154 2HH1 ARG 154 -12.669 -7.293 -7.293 715 H ASN 155 H ASN 155 -7.806 1.055 1.055 716 HA ASN 155 HA ASN 155 -8.264 3.308 3.308 717 1HB ASN 155 1HB ASN 155 -7.004 2.778 2.778 718 2HB ASN 155 2HB ASN 155 -7.549 4.433 4.433 719 1HD2 ASN 155 2HD2 ASN 155 -5.224 5.117 5.117 720 2HD2 ASN 155 1HD2 ASN 155 -6.805 5.488 5.488 721 H HIS 156 H HIS 156 -10.196 1.845 1.845 722 HA HIS 156 HA HIS 156 -12.392 2.242 2.242 723 1HB HIS 156 1HB HIS 156 -12.364 3.720 3.720 724 2HB HIS 156 2HB HIS 156 -12.214 5.069 5.069 725 HD1 HIS 156 HD1 HIS 156 -14.727 3.263 3.263 726 HD2 HIS 156 HD2 HIS 156 -14.409 4.859 4.859 727 HE1 HIS 156 HE1 HIS 156 -17.089 3.498 3.498 728 H GLU 157 H GLU 157 -10.307 5.095 5.095 729 HA GLU 157 HA GLU 157 -10.478 4.824 4.824 730 1HB GLU 157 2HB GLU 157 -12.545 6.355 6.355 731 2HB GLU 157 1HB GLU 157 -11.576 7.406 7.406 732 1HG GLU 157 1HG GLU 157 -11.997 5.191 5.191 733 2HG GLU 157 2HG GLU 157 -13.524 5.383 5.383 734 H ARG 158 H ARG 158 -8.185 4.886 4.886 735 HA ARG 158 HA ARG 158 -6.843 7.092 7.092 736 1HB ARG 158 1HB ARG 158 -5.988 7.990 7.990 737 2HB ARG 158 2HB ARG 158 -7.543 8.547 8.547 738 1HG ARG 158 1HG ARG 158 -8.071 6.242 6.242 739 2HG ARG 158 2HG ARG 158 -6.923 7.204 7.204 740 1HD ARG 158 1HD ARG 158 -8.597 9.144 9.144 741 2HD ARG 158 2HD ARG 158 -9.719 7.784 7.784 742 HE ARG 158 HE ARG 158 -8.364 7.673 7.673 743 1HH1 ARG 158 2HH2 ARG 158 -10.339 10.016 10.016 744 2HH1 ARG 158 1HH2 ARG 158 -10.938 10.733 10.733 745 1HH2 ARG 158 1HH1 ARG 158 -9.146 8.608 8.608 746 2HH2 ARG 158 2HH1 ARG 158 -10.260 9.931 9.931 747 H GLY 159 H GLY 159 -6.919 4.408 4.408 748 1HA GLY 159 1HA GLY 159 -4.000 4.181 4.181 749 2HA GLY 159 2HA GLY 159 -5.086 3.263 3.263 750 H PHE 160 H PHE 160 -3.005 2.962 2.962 751 HA PHE 160 HA PHE 160 -4.324 0.522 0.522 752 1HB PHE 160 1HB PHE 160 -3.350 2.814 2.814 753 2HB PHE 160 2HB PHE 160 -2.978 1.206 1.206 754 HD1 PHE 160 HD1 PHE 160 -5.873 3.092 3.092 755 HD2 PHE 160 HD2 PHE 160 -4.487 0.235 0.235 756 HE1 PHE 160 HE1 PHE 160 -8.142 2.931 2.931 757 HE2 PHE 160 HE2 PHE 160 -6.753 0.068 0.068 758 HZ PHE 160 HZ PHE 160 -8.583 1.417 1.417 759 H SER 161 H SER 161 -2.786 -1.068 -1.068 760 HA SER 161 HA SER 161 0.017 -0.670 -0.670 761 1HB SER 161 2HB SER 161 -0.940 -1.158 -1.158 762 2HB SER 161 1HB SER 161 -1.381 -2.757 -2.757 763 HG SER 161 HG SER 161 0.595 -3.343 -3.343 764 H TYR 162 H TYR 162 1.268 -2.046 -2.046 765 HA TYR 162 HA TYR 162 -0.117 -4.133 -4.133 766 1HB TYR 162 2HB TYR 162 2.582 -2.927 -2.927 767 2HB TYR 162 1HB TYR 162 1.567 -3.900 -3.900 768 HD1 TYR 162 HD2 TYR 162 -1.057 -2.447 -2.447 769 HD2 TYR 162 HD1 TYR 162 2.804 -1.060 -1.060 770 HE1 TYR 162 HE2 TYR 162 -2.067 -0.401 -0.401 771 HE2 TYR 162 HE1 TYR 162 1.805 0.989 0.989 772 HH TYR 162 HH2 TYR 162 -1.701 1.558 1.558 773 H ILE 163 H ILE 163 1.877 -5.748 -5.748 774 HA ILE 163 HA ILE 163 3.625 -6.471 -6.471 775 HB ILE 163 HB ILE 163 2.509 -8.897 -8.897 776 1HG1 ILE 163 1HG1 ILE 163 0.139 -7.019 -7.019 777 2HG1 ILE 163 2HG1 ILE 163 0.655 -8.088 -8.088 778 1HG2 ILE 163 1HG2 ILE 163 2.462 -6.659 -6.659 779 2HG2 ILE 163 3HG2 ILE 163 1.043 -7.687 -7.687 780 3HG2 ILE 163 2HG2 ILE 163 2.659 -8.380 -8.380 781 1HD1 ILE 163 1HD1 ILE 163 0.039 -9.219 -9.219 782 2HD1 ILE 163 3HD1 ILE 163 -1.267 -8.802 -8.802 783 3HD1 ILE 163 2HD1 ILE 163 -0.046 -9.981 -9.981 784 H CYS 164 H CYS 164 5.347 -7.620 -7.620 785 HA CYS 164 HA CYS 164 5.141 -8.797 -8.797 786 1HB CYS 164 1HB CYS 164 7.686 -7.525 -7.525 787 2HB CYS 164 2HB CYS 164 7.183 -7.876 -7.876 788 HG CYS 164 HG CYS 164 5.312 -5.834 -5.834 789 H ARG 165 H ARG 165 5.074 -10.911 -10.911 790 HA ARG 165 HA ARG 165 6.502 -12.108 -12.108 791 1HB ARG 165 1HB ARG 165 4.834 -13.004 -13.004 792 2HB ARG 165 2HB ARG 165 6.057 -14.166 -14.166 793 1HG ARG 165 1HG ARG 165 5.043 -13.464 -13.464 794 2HG ARG 165 2HG ARG 165 3.618 -13.284 -13.284 795 1HD ARG 165 2HD ARG 165 5.242 -15.729 -15.729 796 2HD ARG 165 1HD ARG 165 3.497 -15.501 -15.501 797 HE ARG 165 HE ARG 165 5.035 -16.222 -16.222 798 1HH1 ARG 165 1HH1 ARG 165 2.060 -14.837 -14.837 799 2HH1 ARG 165 2HH1 ARG 165 1.174 -15.200 -15.200 800 1HH2 ARG 165 1HH2 ARG 165 3.879 -16.705 -16.705 801 2HH2 ARG 165 2HH2 ARG 165 2.208 -16.262 -16.262 802 H ASP 166 H ASP 166 8.643 -11.230 -11.230 803 HA ASP 166 HA ASP 166 10.822 -11.370 -11.370 804 1HB ASP 166 2HB ASP 166 10.674 -13.709 -13.709 805 2HB ASP 166 1HB ASP 166 9.889 -14.070 -14.070 806 H GLY 167 H GLY 167 9.782 -13.296 -13.296 807 1HA GLY 167 1HA GLY 167 10.045 -12.948 -12.948 808 2HA GLY 167 2HA GLY 167 9.291 -11.399 -11.399 809 H THR 168 H THR 168 10.581 -9.583 -9.583 810 HA THR 168 HA THR 168 13.346 -9.868 -9.868 811 HB THR 168 HB THR 168 11.716 -7.358 -7.358 812 HG1 THR 168 1HG THR 168 10.830 -8.100 -8.100 813 1HG2 THR 168 3HG2 THR 168 14.343 -8.131 -8.131 814 2HG2 THR 168 2HG2 THR 168 13.381 -7.860 -7.860 815 3HG2 THR 168 1HG2 THR 168 13.522 -6.588 -6.588 816 H THR 169 H THR 169 11.201 -8.294 -8.294 817 HA THR 169 HA THR 169 12.990 -6.474 -6.474 818 HB THR 169 HB THR 169 10.666 -7.940 -7.940 819 HG1 THR 169 1HG THR 169 10.911 -5.387 -5.387 820 1HG2 THR 169 2HG2 THR 169 12.452 -6.724 -6.724 821 2HG2 THR 169 1HG2 THR 169 11.541 -5.305 -5.305 822 3HG2 THR 169 3HG2 THR 169 10.720 -6.628 -6.628 823 H ARG 170 H ARG 170 11.913 -9.231 -9.231 824 HA ARG 170 HA ARG 170 14.530 -10.349 -10.349 825 1HB ARG 170 2HB ARG 170 13.387 -8.579 -8.579 826 2HB ARG 170 1HB ARG 170 14.499 -9.884 -9.884 827 1HG ARG 170 1HG ARG 170 16.073 -8.826 -8.826 828 2HG ARG 170 2HG ARG 170 15.011 -7.418 -7.418 829 1HD ARG 170 2HD ARG 170 16.906 -7.195 -7.195 830 2HD ARG 170 1HD ARG 170 15.378 -7.269 -7.269 831 HE ARG 170 HE ARG 170 16.540 -9.846 -9.846 832 1HH1 ARG 170 2HH2 ARG 170 16.820 -6.834 -6.834 833 2HH1 ARG 170 1HH2 ARG 170 17.526 -7.558 -7.558 834 1HH2 ARG 170 2HH1 ARG 170 17.470 -10.808 -10.808 835 2HH2 ARG 170 1HH1 ARG 170 17.896 -9.819 -9.819 836 H ARG 171 H ARG 171 11.889 -9.995 -9.995 837 HA ARG 171 HA ARG 171 11.111 -12.789 -12.789 838 1HB ARG 171 1HB ARG 171 11.086 -13.257 -13.257 839 2HB ARG 171 2HB ARG 171 12.675 -12.629 -12.629 840 1HG ARG 171 2HG ARG 171 12.464 -10.924 -10.924 841 2HG ARG 171 1HG ARG 171 10.863 -10.514 -10.514 842 1HD ARG 171 2HD ARG 171 10.684 -11.058 -11.058 843 2HD ARG 171 1HD ARG 171 9.908 -12.325 -12.325 844 HE ARG 171 HE ARG 171 12.421 -13.267 -13.267 845 1HH1 ARG 171 1HH1 ARG 171 9.974 -12.049 -12.049 846 2HH1 ARG 171 2HH1 ARG 171 10.476 -13.035 -13.035 847 1HH2 ARG 171 1HH2 ARG 171 13.090 -14.570 -14.570 848 2HH2 ARG 171 2HH2 ARG 171 12.248 -14.468 -14.468 849 H TRP 172 H TRP 172 9.244 -12.677 -12.677 850 HA TRP 172 HA TRP 172 7.017 -11.497 -11.497 851 1HB TRP 172 1HB TRP 172 7.156 -12.169 -12.169 852 2HB TRP 172 2HB TRP 172 5.741 -12.168 -12.168 853 HD1 TRP 172 HD1 TRP 172 6.461 -14.723 -14.723 854 HE1 TRP 172 HE1 TRP 172 6.989 -16.945 -16.945 855 HE3 TRP 172 HE3 TRP 172 7.761 -12.911 -12.911 856 HZ2 TRP 172 2HZ TRP 172 7.842 -17.816 -17.816 857 HZ3 TRP 172 HZ3 TRP 172 8.418 -14.509 -14.509 858 HH2 TRP 172 HH2 TRP 172 8.458 -16.911 -16.911 859 H MET 173 H MET 173 7.881 -9.381 -9.381 860 HA MET 173 HA MET 173 8.109 -7.646 -7.646 861 1HB MET 173 1HB MET 173 8.853 -7.213 -7.213 862 2HB MET 173 2HB MET 173 9.001 -5.982 -5.982 863 1HG MET 173 1HG MET 173 10.286 -8.424 -8.424 864 2HG MET 173 2HG MET 173 10.897 -7.878 -7.878 865 1HE MET 173 2HE MET 173 9.391 -5.959 -5.959 866 2HE MET 173 1HE MET 173 10.573 -6.824 -6.824 867 3HE MET 173 3HE MET 173 10.744 -5.089 -5.089 868 H CYS 174 H CYS 174 6.449 -6.444 -6.444 869 HA CYS 174 HA CYS 174 4.238 -6.046 -6.046 870 1HB CYS 174 2HB CYS 174 4.519 -5.522 -5.522 871 2HB CYS 174 1HB CYS 174 3.085 -5.101 -5.101 872 HG CYS 174 HG CYS 174 3.242 -7.608 -7.608 873 H HIS 175 H HIS 175 3.260 -3.904 -3.904 874 HA HIS 175 HA HIS 175 5.224 -1.738 -1.738 875 1HB HIS 175 2HB HIS 175 3.509 -2.336 -2.336 876 2HB HIS 175 1HB HIS 175 4.470 -0.872 -0.872 877 HD1 HIS 175 HD1 HIS 175 6.826 -1.001 -1.001 878 HD2 HIS 175 HD2 HIS 175 5.156 -4.750 -4.750 879 HE1 HIS 175 HE1 HIS 175 8.509 -2.686 -2.686 880 H GLY 176 H GLY 176 4.222 -0.781 -0.781 881 1HA GLY 176 1HA GLY 176 1.379 -0.162 -0.162 882 2HA GLY 176 2HA GLY 176 2.447 0.151 0.151 883 H PHE 177 H PHE 177 0.563 1.686 1.686 884 HA PHE 177 HA PHE 177 2.072 4.143 4.143 885 1HB PHE 177 1HB PHE 177 2.008 4.752 4.752 886 2HB PHE 177 2HB PHE 177 2.760 3.168 3.168 887 HD1 PHE 177 HD1 PHE 177 0.636 1.279 1.279 888 HD2 PHE 177 HD2 PHE 177 0.889 4.933 4.933 889 HE1 PHE 177 HE1 PHE 177 -0.945 0.400 0.400 890 HE2 PHE 177 HE2 PHE 177 -0.694 4.062 4.062 891 HZ PHE 177 HZ PHE 177 -1.613 1.791 1.791 892 H LEU 178 H LEU 178 0.796 6.039 6.039 893 HA LEU 178 HA LEU 178 -2.105 5.561 5.561 894 1HB LEU 178 2HB LEU 178 -1.439 5.812 5.812 895 2HB LEU 178 1HB LEU 178 -0.521 7.256 7.256 896 HG LEU 178 HG LEU 178 -3.131 7.807 7.807 897 1HD1 LEU 178 3HD2 LEU 178 -3.676 5.763 5.763 898 2HD1 LEU 178 2HD2 LEU 178 -3.261 6.788 6.788 899 3HD1 LEU 178 1HD2 LEU 178 -4.581 7.247 7.247 900 1HD2 LEU 178 3HD1 LEU 178 -1.478 8.629 8.629 901 2HD2 LEU 178 2HD1 LEU 178 -1.776 9.514 9.514 902 3HD2 LEU 178 1HD1 LEU 178 -3.072 9.315 9.315 903 H ALA 179 H ALA 179 -3.058 6.710 6.710 904 HA ALA 179 HA ALA 179 -1.974 8.385 8.385 905 1HB ALA 179 1HB ALA 179 -4.315 7.521 7.521 906 2HB ALA 179 3HB ALA 179 -4.741 8.845 8.845 907 3HB ALA 179 2HB ALA 179 -4.143 9.192 9.192 908 H CYS 180 H CYS 180 -1.702 10.578 10.578 909 HA CYS 180 HA CYS 180 -0.915 12.089 12.089 910 1HB CYS 180 2HB CYS 180 -0.257 12.143 12.143 911 2HB CYS 180 1HB CYS 180 -1.368 13.503 13.503 912 HG CYS 180 HG CYS 180 0.269 14.442 14.442 913 H LYS 181 H LYS 181 -3.672 12.212 12.212 914 HA LYS 181 HA LYS 181 -4.864 14.488 14.488 915 1HB LYS 181 1HB LYS 181 -6.152 12.489 12.489 916 2HB LYS 181 2HB LYS 181 -6.750 14.094 14.094 917 1HG LYS 181 1HG LYS 181 -4.153 13.538 13.538 918 2HG LYS 181 2HG LYS 181 -5.671 13.958 13.958 919 1HD LYS 181 1HD LYS 181 -5.468 15.951 15.951 920 2HD LYS 181 2HD LYS 181 -3.769 15.656 15.656 921 1HE LYS 181 2HE LYS 181 -5.421 15.705 15.705 922 2HE LYS 181 1HE LYS 181 -5.550 17.203 17.203 923 1HZ LYS 181 2HZ LYS 181 -3.008 17.102 17.102 924 2HZ LYS 181 1HZ LYS 181 -3.153 15.992 15.992 925 3HZ LYS 181 3HZ LYS 181 -3.757 17.561 17.561 926 H ASP 182 H ASP 182 -5.143 11.002 11.002 927 HA ASP 182 HA ASP 182 -6.088 9.642 9.642 928 1HB ASP 182 1HB ASP 182 -5.782 12.209 12.209 929 2HB ASP 182 2HB ASP 182 -7.020 11.155 11.155 930 H SER 183 H SER 183 -7.724 9.739 9.739 931 HA SER 183 HA SER 183 -10.329 9.790 9.790 932 1HB SER 183 1HB SER 183 -11.228 11.333 11.333 933 2HB SER 183 2HB SER 183 -10.385 12.089 12.089 934 HG SER 183 HG SER 183 -9.224 11.436 11.436 935 H GLY 184 H GLY 184 -8.454 7.980 7.980 936 1HA GLY 184 2HA GLY 184 -8.472 6.439 6.439 937 2HA GLY 184 1HA GLY 184 -10.151 6.278 6.278 938 H GLU 185 H GLU 185 -8.945 9.247 9.247 939 HA GLU 185 HA GLU 185 -10.330 8.585 8.585 940 1HB GLU 185 1HB GLU 185 -10.819 10.757 10.757 941 2HB GLU 185 2HB GLU 185 -10.528 11.343 11.343 942 1HG GLU 185 2HG GLU 185 -12.253 9.374 9.374 943 2HG GLU 185 1HG GLU 185 -12.784 9.787 9.787 944 H ARG 186 H ARG 186 -7.624 8.170 8.170 945 HA ARG 186 HA ARG 186 -6.582 9.886 9.886 946 1HB ARG 186 1HB ARG 186 -5.565 10.036 10.036 947 2HB ARG 186 2HB ARG 186 -4.468 10.306 10.306 948 1HG ARG 186 1HG ARG 186 -6.952 11.876 11.876 949 2HG ARG 186 2HG ARG 186 -5.279 12.415 12.415 950 1HD ARG 186 1HD ARG 186 -5.261 11.736 11.736 951 2HD ARG 186 2HD ARG 186 -6.973 12.124 12.124 952 HE ARG 186 HE ARG 186 -4.758 13.964 13.964 953 1HH1 ARG 186 2HH1 ARG 186 -8.072 13.417 13.417 954 2HH1 ARG 186 1HH1 ARG 186 -8.460 15.101 15.101 955 1HH2 ARG 186 1HH2 ARG 186 -5.258 16.189 16.189 956 2HH2 ARG 186 2HH2 ARG 186 -6.861 16.678 16.678 957 H LEU 187 H LEU 187 -5.846 7.433 7.433 958 HA LEU 187 HA LEU 187 -4.196 6.038 6.038 959 1HB LEU 187 1HB LEU 187 -3.988 6.182 6.182 960 2HB LEU 187 2HB LEU 187 -3.232 4.884 4.884 961 HG LEU 187 HG LEU 187 -1.745 6.374 6.374 962 1HD1 LEU 187 3HD1 LEU 187 -3.564 8.532 8.532 963 2HD1 LEU 187 2HD1 LEU 187 -1.917 8.870 8.870 964 3HD1 LEU 187 1HD1 LEU 187 -3.084 8.182 8.182 965 1HD2 LEU 187 2HD2 LEU 187 -1.581 5.940 5.940 966 2HD2 LEU 187 1HD2 LEU 187 -0.425 6.959 6.959 967 3HD2 LEU 187 3HD2 LEU 187 -1.752 7.695 7.695 968 H SER 188 H SER 188 -6.686 5.715 5.715 969 HA SER 188 HA SER 188 -7.008 2.939 2.939 970 1HB SER 188 2HB SER 188 -8.122 4.117 4.117 971 2HB SER 188 1HB SER 188 -8.928 5.192 5.192 972 HG SER 188 HG SER 188 -10.050 3.200 3.200 973 H HIS 189 H HIS 189 -9.136 5.308 5.308 974 HA HIS 189 HA HIS 189 -10.397 3.430 3.430 975 1HB HIS 189 1HB HIS 189 -11.302 5.318 5.318 976 2HB HIS 189 2HB HIS 189 -11.263 5.718 5.718 977 HD1 HIS 189 HD1 HIS 189 -10.178 6.959 6.959 978 HD2 HIS 189 HD2 HIS 189 -9.052 7.459 7.459 979 HE1 HIS 189 HE1 HIS 189 -8.764 9.055 9.055 980 H ALA 190 H ALA 190 -7.493 5.361 5.361 981 HA ALA 190 HA ALA 190 -7.153 4.818 4.818 982 1HB ALA 190 1HB ALA 190 -5.772 6.279 6.279 983 2HB ALA 190 3HB ALA 190 -4.622 5.274 5.274 984 3HB ALA 190 2HB ALA 190 -5.648 6.416 6.416 985 H VAL 191 H VAL 191 -4.996 3.715 3.715 986 HA VAL 191 HA VAL 191 -3.816 1.643 1.643 987 HB VAL 191 HB VAL 191 -4.381 1.454 1.454 988 1HG1 VAL 191 2HG2 VAL 191 -3.249 -0.403 -0.403 989 2HG1 VAL 191 1HG2 VAL 191 -1.868 0.692 0.692 990 3HG1 VAL 191 3HG2 VAL 191 -2.470 0.129 0.129 991 1HG2 VAL 191 1HG1 VAL 191 -3.068 3.586 3.586 992 2HG2 VAL 191 3HG1 VAL 191 -3.270 3.340 3.340 993 3HG2 VAL 191 2HG1 VAL 191 -1.866 2.667 2.667 994 H GLY 192 H GLY 192 -6.757 1.574 1.574 995 1HA GLY 192 1HA GLY 192 -7.316 -1.144 -1.144 996 2HA GLY 192 2HA GLY 192 -8.540 0.118 0.118 997 H CYS 193 H CYS 193 -7.754 1.282 1.282 998 HA CYS 193 HA CYS 193 -9.001 -0.646 -0.646 999 1HB CYS 193 1HB CYS 193 -8.447 2.315 2.315 1000 2HB CYS 193 2HB CYS 193 -8.955 1.386 1.386 1001 HG CYS 193 HG CYS 193 -11.260 1.550 1.550 1002 H ALA 194 H ALA 194 -5.967 0.894 0.894 1003 HA ALA 194 HA ALA 194 -4.583 0.689 0.689 1004 1HB ALA 194 3HB ALA 194 -3.586 0.163 0.163 1005 2HB ALA 194 2HB ALA 194 -2.556 0.439 0.439 1006 3HB ALA 194 1HB ALA 194 -3.627 1.717 1.717 1007 H PHE 195 H PHE 195 -5.104 -1.844 -1.844 1008 HA PHE 195 HA PHE 195 -3.575 -3.855 -3.855 1009 1HB PHE 195 1HB PHE 195 -5.957 -3.854 -3.854 1010 2HB PHE 195 2HB PHE 195 -5.372 -5.377 -5.377 1011 HD1 PHE 195 HD1 PHE 195 -4.647 -2.602 -2.602 1012 HD2 PHE 195 HD2 PHE 195 -3.233 -6.285 -6.285 1013 HE1 PHE 195 HE1 PHE 195 -2.946 -2.713 -2.713 1014 HE2 PHE 195 HE2 PHE 195 -1.528 -6.404 -6.404 1015 HZ PHE 195 HZ PHE 195 -1.383 -4.616 -4.616 1016 H ALA 196 H ALA 196 -6.599 -2.508 -2.508 1017 HA ALA 196 HA ALA 196 -7.841 -4.552 -4.552 1018 1HB ALA 196 1HB ALA 196 -8.673 -2.202 -2.202 1019 2HB ALA 196 3HB ALA 196 -7.640 -1.744 -1.744 1020 3HB ALA 196 2HB ALA 196 -8.948 -2.902 -2.902 1021 H VAL 197 H VAL 197 -5.144 -2.535 -2.535 1022 HA VAL 197 HA VAL 197 -5.032 -3.701 -3.701 1023 HB VAL 197 HB VAL 197 -3.016 -2.026 -2.026 1024 1HG1 VAL 197 1HG2 VAL 197 -3.017 -2.995 -2.995 1025 2HG1 VAL 197 3HG2 VAL 197 -2.035 -1.645 -1.645 1026 3HG1 VAL 197 2HG2 VAL 197 -1.784 -3.259 -3.259 1027 1HG2 VAL 197 1HG1 VAL 197 -5.019 -1.353 -1.353 1028 2HG2 VAL 197 3HG1 VAL 197 -5.057 -0.829 -0.829 1029 3HG2 VAL 197 2HG1 VAL 197 -3.785 -0.249 -0.249 1030 H CYS 198 H CYS 198 -3.484 -4.310 -4.310 1031 HA CYS 198 HA CYS 198 -1.416 -5.995 -5.995 1032 1HB CYS 198 2HB CYS 198 -1.680 -5.093 -5.093 1033 2HB CYS 198 1HB CYS 198 -3.018 -6.208 -6.208 1034 HG CYS 198 HG CYS 198 -0.196 -6.882 -6.882 1035 H LEU 199 H LEU 199 -4.825 -6.494 -6.494 1036 HA LEU 199 HA LEU 199 -4.452 -9.364 -9.364 1037 1HB LEU 199 2HB LEU 199 -6.880 -7.923 -7.923 1038 2HB LEU 199 1HB LEU 199 -6.799 -9.638 -9.638 1039 HG LEU 199 HG LEU 199 -4.776 -9.534 -9.534 1040 1HD1 LEU 199 1HD1 LEU 199 -6.397 -7.081 -7.081 1041 2HD1 LEU 199 3HD1 LEU 199 -5.600 -7.945 -7.945 1042 3HD1 LEU 199 2HD1 LEU 199 -4.646 -7.284 -7.284 1043 1HD2 LEU 199 2HD2 LEU 199 -7.706 -9.827 -9.827 1044 2HD2 LEU 199 1HD2 LEU 199 -6.411 -11.006 -11.006 1045 3HD2 LEU 199 3HD2 LEU 199 -6.687 -9.769 -9.769 1046 H GLU 200 H GLU 200 -6.353 -6.499 -6.499 1047 HA GLU 200 HA GLU 200 -7.409 -5.884 -5.884 1048 1HB GLU 200 2HB GLU 200 -5.284 -6.126 -6.126 1049 2HB GLU 200 1HB GLU 200 -5.459 -7.876 -7.876 1050 1HG GLU 200 1HG GLU 200 -7.468 -7.486 -7.486 1051 2HG GLU 200 2HG GLU 200 -6.966 -5.797 -5.797 1052 H ARG 201 H ARG 201 -9.476 -6.381 -6.381 1053 HA ARG 201 HA ARG 201 -11.362 -7.522 -7.522 1054 1HB ARG 201 1HB ARG 201 -9.728 -8.752 -8.752 1055 2HB ARG 201 2HB ARG 201 -9.785 -10.046 -10.046 1056 1HG ARG 201 1HG ARG 201 -12.329 -9.909 -9.909 1057 2HG ARG 201 2HG ARG 201 -11.995 -8.974 -8.974 1058 1HD ARG 201 2HD ARG 201 -10.416 -11.418 -11.418 1059 2HD ARG 201 1HD ARG 201 -12.153 -11.713 -11.713 1060 HE ARG 201 HE ARG 201 -11.405 -9.868 -9.868 1061 1HH1 ARG 201 2HH2 ARG 201 -11.290 -13.252 -13.252 1062 2HH1 ARG 201 1HH2 ARG 201 -11.264 -13.780 -13.780 1063 1HH2 ARG 201 2HH1 ARG 201 -11.372 -10.553 -10.553 1064 2HH2 ARG 201 1HH1 ARG 201 -11.311 -12.246 -12.246 1065 H LYS 202 H LYS 202 -9.450 -8.042 -8.042 1066 HA LYS 202 HA LYS 202 -9.796 -8.907 -8.907 1067 1HB LYS 202 1HB LYS 202 -12.452 -8.465 -8.465 1068 2HB LYS 202 2HB LYS 202 -12.441 -9.788 -9.788 1069 1HG LYS 202 2HG LYS 202 -12.956 -7.545 -7.545 1070 2HG LYS 202 1HG LYS 202 -11.607 -8.389 -8.389 1071 1HD LYS 202 2HD LYS 202 -10.013 -7.036 -7.036 1072 2HD LYS 202 1HD LYS 202 -11.277 -6.312 -6.312 1073 1HE LYS 202 2HE LYS 202 -10.988 -6.005 -6.005 1074 2HE LYS 202 1HE LYS 202 -10.557 -4.796 -4.796 1075 1HZ LYS 202 1HZ LYS 202 -13.009 -5.066 -5.066 1076 2HZ LYS 202 3HZ LYS 202 -13.226 -5.710 -5.710 1077 3HZ LYS 202 2HZ LYS 202 -12.646 -4.132 -4.132 1078 H GLN 203 H GLN 203 -8.537 -10.611 -10.611 1079 HA GLN 203 HA GLN 203 -9.859 -13.150 -13.150 1080 1HB GLN 203 2HB GLN 203 -7.578 -13.972 -13.972 1081 2HB GLN 203 1HB GLN 203 -8.158 -12.637 -12.637 1082 1HG GLN 203 2HG GLN 203 -6.567 -11.220 -11.220 1083 2HG GLN 203 1HG GLN 203 -6.556 -11.898 -11.898 1084 1HE2 GLN 203 1HE2 GLN 203 -3.631 -13.613 -13.613 1085 2HE2 GLN 203 2HE2 GLN 203 -4.694 -12.769 -12.769 1086 H ARG 204 H ARG 204 -10.379 -12.735 -12.735 1087 HA ARG 204 HA ARG 204 -8.363 -13.350 -13.350 1088 1HB ARG 204 2HB ARG 204 -11.337 -13.131 -13.131 1089 2HB ARG 204 1HB ARG 204 -10.553 -13.956 -13.956 1090 1HG ARG 204 1HG ARG 204 -10.414 -11.918 -11.918 1091 2HG ARG 204 2HG ARG 204 -9.048 -11.702 -11.702 1092 1HD ARG 204 1HD ARG 204 -10.764 -9.861 -9.861 1093 2HD ARG 204 2HD ARG 204 -10.385 -10.573 -10.573 1094 HE ARG 204 HE ARG 204 -12.537 -11.347 -11.347 1095 1HH1 ARG 204 2HH2 ARG 204 -11.877 -10.348 -10.348 1096 2HH1 ARG 204 1HH2 ARG 204 -13.523 -10.501 -10.501 1097 1HH2 ARG 204 2HH1 ARG 204 -14.708 -11.553 -11.553 1098 2HH2 ARG 204 1HH1 ARG 204 -15.135 -11.187 -11.187 1099 H ARG 205 H ARG 205 -7.296 -15.224 -15.224 1100 HA ARG 205 HA ARG 205 -8.511 -17.652 -17.652 1101 1HB ARG 205 2HB ARG 205 -5.989 -16.824 -16.824 1102 2HB ARG 205 1HB ARG 205 -5.939 -17.663 -17.663 1103 1HG ARG 205 1HG ARG 205 -6.370 -19.734 -19.734 1104 2HG ARG 205 2HG ARG 205 -6.995 -19.013 -19.013 1105 1HD ARG 205 2HD ARG 205 -4.153 -18.570 -18.570 1106 2HD ARG 205 1HD ARG 205 -4.623 -20.060 -20.060 1107 HE ARG 205 HE ARG 205 -5.581 -17.794 -17.794 1108 1HH1 ARG 205 1HH2 ARG 205 -2.683 -19.608 -19.608 1109 2HH1 ARG 205 2HH2 ARG 205 -1.913 -19.163 -19.163 1110 1HH2 ARG 205 1HH1 ARG 205 -4.578 -17.200 -17.200 1111 2HH2 ARG 205 2HH1 ARG 205 -2.990 -17.793 -17.793 1112 H THR 206 H THR 206 -10.239 -17.184 -17.184 1113 HA THR 206 HA THR 206 -9.757 -19.150 -19.150 1114 HB THR 206 HB THR 206 -8.912 -17.193 -17.193 1115 HG1 THR 206 1HG THR 206 -10.522 -17.034 -17.034 1116 1HG2 THR 206 1HG2 THR 206 -11.288 -15.866 -15.866 1117 2HG2 THR 206 3HG2 THR 206 -10.785 -15.383 -15.383 1118 3HG2 THR 206 2HG2 THR 206 -9.657 -15.251 -15.251 1119 H ARG 207 H ARG 207 -11.476 -19.090 -19.090 1120 HA ARG 207 HA ARG 207 -14.038 -19.376 -19.376 1121 1HB ARG 207 1HB ARG 207 -13.603 -17.087 -17.087 1122 2HB ARG 207 2HB ARG 207 -14.222 -18.112 -18.112 1123 1HG ARG 207 1HG ARG 207 -16.213 -18.585 -18.585 1124 2HG ARG 207 2HG ARG 207 -15.599 -17.472 -17.472 1125 1HD ARG 207 1HD ARG 207 -15.835 -15.613 -15.613 1126 2HD ARG 207 2HD ARG 207 -16.018 -16.625 -16.625 1127 HE ARG 207 HE ARG 207 -18.250 -16.778 -16.778 1128 1HH1 ARG 207 1HH2 ARG 207 -16.593 -15.734 -15.734 1129 2HH1 ARG 207 2HH2 ARG 207 -18.050 -15.444 -15.444 1130 1HH2 ARG 207 2HH1 ARG 207 -20.176 -16.399 -16.399 1131 2HH2 ARG 207 1HH1 ARG 207 -20.088 -15.822 -15.822 1132 H ALA 208 H ALA 208 -12.434 -19.616 -19.616 1133 HA ALA 208 HA ALA 208 -13.974 -22.048 -22.048 1134 1HB ALA 208 2HB ALA 208 -13.696 -20.033 -20.033 1135 2HB ALA 208 1HB ALA 208 -12.140 -20.781 -20.781 1136 3HB ALA 208 3HB ALA 208 -13.633 -21.682 -21.682 1137 H ALA 209 H ALA 209 -12.853 -23.497 -23.497 1138 HA ALA 209 HA ALA 209 -10.045 -24.000 -24.000 1139 1HB ALA 209 3HB ALA 209 -11.249 -23.742 -23.742 1140 2HB ALA 209 2HB ALA 209 -10.893 -25.459 -25.459 1141 3HB ALA 209 1HB ALA 209 -9.603 -24.268 -24.268 1142 H ALA 210 H ALA 210 -9.378 -26.321 -26.321 1143 HA ALA 210 HA ALA 210 -11.324 -27.916 -27.916 1144 1HB ALA 210 2HB ALA 210 -9.009 -27.603 -27.603 1145 2HB ALA 210 1HB ALA 210 -8.422 -28.532 -28.532 1146 3HB ALA 210 3HB ALA 210 -9.480 -29.292 -29.292 1147 1H ALA 1 3HT ALA 1 -13.331 -8.656 -8.656 1148 2H ALA 1 2HT ALA 1 -11.915 -8.568 -8.568 1149 3H ALA 1 1HT ALA 1 -13.458 -8.357 -8.357 1150 HA ALA 1 HA ALA 1 -13.734 -6.304 -6.304 1151 1HB ALA 1 3HB ALA 1 -11.691 -6.573 -6.573 1152 2HB ALA 1 2HB ALA 1 -10.736 -6.335 -6.335 1153 3HB ALA 1 1HB ALA 1 -11.838 -5.072 -5.072 1154 H TYR 2 H TYR 2 -10.718 -7.172 -7.172 1155 HA TYR 2 HA TYR 2 -11.679 -7.206 -7.206 1156 1HB TYR 2 1HB TYR 2 -10.969 -4.916 -4.916 1157 2HB TYR 2 2HB TYR 2 -12.437 -4.962 -4.962 1158 HD1 TYR 2 HD1 TYR 2 -9.608 -5.414 -5.414 1159 HD2 TYR 2 HD2 TYR 2 -11.825 -2.434 -2.434 1160 HE1 TYR 2 HE1 TYR 2 -8.686 -3.683 -3.683 1161 HE2 TYR 2 HE2 TYR 2 -10.905 -0.705 -0.705 1162 HH TYR 2 HH2 TYR 2 -8.392 -1.430 -1.430 1163 H ILE 3 H ILE 3 -10.056 -8.781 -8.781 1164 HA ILE 3 HA ILE 3 -7.947 -9.658 -9.658 1165 HB ILE 3 HB ILE 3 -7.431 -7.153 -7.153 1166 1HG1 ILE 3 1HG1 ILE 3 -8.154 -8.853 -8.853 1167 2HG1 ILE 3 2HG1 ILE 3 -9.063 -9.595 -9.595 1168 1HG2 ILE 3 2HG2 ILE 3 -5.724 -9.153 -9.153 1169 2HG2 ILE 3 1HG2 ILE 3 -6.368 -9.748 -9.748 1170 3HG2 ILE 3 3HG2 ILE 3 -5.588 -8.168 -8.168 1171 1HD1 ILE 3 1HD1 ILE 3 -9.312 -6.671 -6.671 1172 2HD1 ILE 3 3HD1 ILE 3 -10.205 -7.843 -7.843 1173 3HD1 ILE 3 2HD1 ILE 3 -10.451 -7.771 -7.771 1174 H GLY 4 H GLY 4 -8.108 -8.467 -8.467 1175 1HA GLY 4 2HA GLY 4 -6.232 -8.285 -8.285 1176 2HA GLY 4 1HA GLY 4 -5.443 -7.271 -7.271 1177 HA PRO 5 HA PRO 5 -7.228 -8.348 -8.348 1178 1HB PRO 5 2HB PRO 5 -9.970 -7.521 -7.521 1179 2HB PRO 5 1HB PRO 5 -8.634 -8.085 -8.085 1180 1HG PRO 5 1HG PRO 5 -9.275 -5.530 -5.530 1181 2HG PRO 5 2HG PRO 5 -7.566 -6.005 -6.005 1182 1HD PRO 5 2HD PRO 5 -9.382 -5.146 -5.146 1183 2HD PRO 5 1HD PRO 5 -7.748 -4.570 -4.570 1184 1HN PTR 6 H PTR 6 -7.476 -10.003 -10.003 1185 HA PTR 6 HA PTR 6 -9.861 -11.302 -11.302 1186 1HB PTR 6 1HB PTR 6 -9.293 -10.300 -10.300 1187 2HB PTR 6 2HB PTR 6 -9.934 -9.082 -9.082 1188 HD1 PTR 6 HD1 PTR 6 -10.981 -11.048 -11.048 1189 HD2 PTR 6 HD2 PTR 6 -11.855 -10.454 -10.454 1190 HE1 PTR 6 HE1 PTR 6 -12.832 -12.671 -12.671 1191 HE2 PTR 6 HE2 PTR 6 -14.016 -11.594 -11.594 1192 H LEU 7 H LEU 7 -9.538 -12.477 -12.477 1193 HA LEU 7 HA LEU 7 -8.404 -14.157 -14.157 1194 1HB LEU 7 2HB LEU 7 -6.255 -12.207 -12.207 1195 2HB LEU 7 1HB LEU 7 -5.785 -13.788 -13.788 1196 HG LEU 7 HG LEU 7 -7.451 -11.723 -11.723 1197 1HD1 LEU 7 3HD1 LEU 7 -4.696 -12.850 -12.850 1198 2HD1 LEU 7 2HD1 LEU 7 -5.571 -12.065 -12.065 1199 3HD1 LEU 7 1HD1 LEU 7 -5.189 -11.164 -11.164 1200 1HD2 LEU 7 3HD2 LEU 7 -7.206 -14.631 -14.631 1201 2HD2 LEU 7 2HD2 LEU 7 -8.493 -13.521 -13.521 1202 3HD2 LEU 7 1HD2 LEU 7 -7.027 -13.634 -13.634 Start of MODEL 13 1 HA SER 64 HA SER 64 -18.712 11.955 11.955 2 1HB SER 64 1HB SER 64 -18.199 11.693 11.693 3 2HB SER 64 2HB SER 64 -17.727 13.182 13.182 4 HG SER 64 HG SER 64 -20.265 12.132 12.132 5 H LYS 65 H LYS 65 -17.106 11.780 11.780 6 HA LYS 65 HA LYS 65 -14.359 11.521 11.521 7 1HB LYS 65 2HB LYS 65 -13.963 11.236 11.236 8 2HB LYS 65 1HB LYS 65 -14.627 9.903 9.903 9 1HG LYS 65 2HG LYS 65 -16.854 10.426 10.426 10 2HG LYS 65 1HG LYS 65 -16.264 11.858 11.858 11 1HD LYS 65 1HD LYS 65 -16.015 10.573 10.573 12 2HD LYS 65 2HD LYS 65 -14.689 9.774 9.774 13 1HE LYS 65 1HE LYS 65 -15.995 7.964 7.964 14 2HE LYS 65 2HE LYS 65 -16.644 8.390 8.390 15 1HZ LYS 65 2HZ LYS 65 -18.389 9.669 9.669 16 2HZ LYS 65 1HZ LYS 65 -17.807 9.079 9.079 17 3HZ LYS 65 3HZ LYS 65 -18.446 8.011 8.011 18 HA PRO 66 HA PRO 66 -14.619 16.005 16.005 19 1HB PRO 66 1HB PRO 66 -12.965 16.832 16.832 20 2HB PRO 66 2HB PRO 66 -14.687 16.535 16.535 21 1HG PRO 66 1HG PRO 66 -12.345 14.763 14.763 22 2HG PRO 66 2HG PRO 66 -13.764 15.116 15.116 23 1HD PRO 66 1HD PRO 66 -13.543 12.846 12.846 24 2HD PRO 66 2HD PRO 66 -15.104 13.637 13.637 25 H HIS 67 H HIS 67 -13.375 15.011 15.011 26 HA HIS 67 HA HIS 67 -11.610 15.139 15.139 27 1HB HIS 67 1HB HIS 67 -10.527 17.063 17.063 28 2HB HIS 67 2HB HIS 67 -9.853 16.825 16.825 29 HD1 HIS 67 HD1 HIS 67 -11.519 17.522 17.522 30 HD2 HIS 67 HD2 HIS 67 -12.509 18.893 18.893 31 HE1 HIS 67 HE1 HIS 67 -13.166 19.411 19.411 32 H GLN 68 H GLN 68 -9.895 15.495 15.495 33 HA GLN 68 HA GLN 68 -7.729 13.919 13.919 34 1HB GLN 68 2HB GLN 68 -9.195 14.571 14.571 35 2HB GLN 68 1HB GLN 68 -7.933 13.350 13.350 36 1HG GLN 68 2HG GLN 68 -6.406 14.937 14.937 37 2HG GLN 68 1HG GLN 68 -6.904 15.561 15.561 38 1HE2 GLN 68 2HE2 GLN 68 -8.832 17.191 17.191 39 2HE2 GLN 68 1HE2 GLN 68 -8.624 15.481 15.481 40 H TRP 69 H TRP 69 -10.914 12.867 12.867 41 HA TRP 69 HA TRP 69 -10.133 10.089 10.089 42 1HB TRP 69 1HB TRP 69 -12.366 11.701 11.701 43 2HB TRP 69 2HB TRP 69 -12.952 10.294 10.294 44 HD1 TRP 69 HD1 TRP 69 -9.799 10.107 10.107 45 HE1 TRP 69 HE1 TRP 69 -10.258 8.527 8.527 46 HE3 TRP 69 HE3 TRP 69 -14.803 9.345 9.345 47 HZ2 TRP 69 2HZ TRP 69 -12.451 7.142 7.142 48 HZ3 TRP 69 HZ3 TRP 69 -16.009 7.880 7.880 49 HH2 TRP 69 HH2 TRP 69 -14.854 6.801 6.801 50 H GLN 70 H GLN 70 -11.656 12.255 12.255 51 HA GLN 70 HA GLN 70 -12.716 10.313 10.313 52 1HB GLN 70 1HB GLN 70 -13.517 12.564 12.564 53 2HB GLN 70 2HB GLN 70 -11.892 13.193 13.193 54 1HG GLN 70 2HG GLN 70 -11.763 12.415 12.415 55 2HG GLN 70 1HG GLN 70 -13.119 11.310 11.310 56 1HE2 GLN 70 2HE2 GLN 70 -15.545 13.995 13.995 57 2HE2 GLN 70 1HE2 GLN 70 -15.148 12.640 12.640 58 H ALA 71 H ALA 71 -9.557 11.658 11.658 59 HA ALA 71 HA ALA 71 -8.480 10.625 10.625 60 1HB ALA 71 3HB ALA 71 -7.766 12.742 12.742 61 2HB ALA 71 2HB ALA 71 -6.703 11.554 11.554 62 3HB ALA 71 1HB ALA 71 -6.609 11.844 11.844 63 H ASP 72 H ASP 72 -8.469 9.830 9.830 64 HA ASP 72 HA ASP 72 -6.509 7.856 7.856 65 1HB ASP 72 1HB ASP 72 -7.282 8.583 8.583 66 2HB ASP 72 2HB ASP 72 -8.970 8.357 8.357 67 H GLU 73 H GLU 73 -10.014 7.514 7.514 68 HA GLU 73 HA GLU 73 -10.218 4.800 4.800 69 1HB GLU 73 2HB GLU 73 -11.951 6.799 6.799 70 2HB GLU 73 1HB GLU 73 -11.664 6.420 6.420 71 1HG GLU 73 2HG GLU 73 -13.002 4.665 4.665 72 2HG GLU 73 1HG GLU 73 -12.112 4.008 4.008 73 H GLU 74 H GLU 74 -9.626 7.007 7.007 74 HA GLU 74 HA GLU 74 -8.986 4.822 4.822 75 1HB GLU 74 2HB GLU 74 -9.767 7.462 7.462 76 2HB GLU 74 1HB GLU 74 -8.097 7.449 7.449 77 1HG GLU 74 2HG GLU 74 -8.826 6.685 6.685 78 2HG GLU 74 1HG GLU 74 -9.248 5.179 5.179 79 H ALA 75 H ALA 75 -7.198 7.020 7.020 80 HA ALA 75 HA ALA 75 -4.676 6.961 6.961 81 1HB ALA 75 1HB ALA 75 -5.625 7.088 7.088 82 2HB ALA 75 3HB ALA 75 -3.904 7.066 7.066 83 3HB ALA 75 2HB ALA 75 -4.925 8.362 8.362 84 H VAL 76 H VAL 76 -5.627 4.839 4.839 85 HA VAL 76 HA VAL 76 -3.512 3.107 3.107 86 HB VAL 76 HB VAL 76 -5.175 1.405 1.405 87 1HG1 VAL 76 1HG2 VAL 76 -3.724 3.149 3.149 88 2HG1 VAL 76 3HG2 VAL 76 -5.258 3.980 3.980 89 3HG1 VAL 76 2HG2 VAL 76 -5.026 2.338 2.338 90 1HG2 VAL 76 3HG1 VAL 76 -7.039 3.038 3.038 91 2HG2 VAL 76 2HG1 VAL 76 -7.368 1.832 1.832 92 3HG2 VAL 76 1HG1 VAL 76 -7.110 3.517 3.517 93 H ARG 77 H ARG 77 -6.248 3.295 3.295 94 HA ARG 77 HA ARG 77 -6.164 0.732 0.732 95 1HB ARG 77 1HB ARG 77 -7.755 2.884 2.884 96 2HB ARG 77 2HB ARG 77 -6.750 3.027 3.027 97 1HG ARG 77 1HG ARG 77 -7.685 0.317 0.317 98 2HG ARG 77 2HG ARG 77 -9.018 1.470 1.470 99 1HD ARG 77 1HD ARG 77 -8.793 1.474 1.474 100 2HD ARG 77 2HD ARG 77 -7.210 2.223 2.223 101 HE ARG 77 HE ARG 77 -7.159 -0.631 -0.631 102 1HH1 ARG 77 2HH1 ARG 77 -7.066 2.016 2.016 103 2HH1 ARG 77 1HH1 ARG 77 -6.230 1.115 1.115 104 1HH2 ARG 77 2HH2 ARG 77 -6.057 -1.828 -1.828 105 2HH2 ARG 77 1HH2 ARG 77 -5.656 -1.071 -1.071 106 H SER 78 H SER 78 -4.629 3.767 3.767 107 HA SER 78 HA SER 78 -2.931 2.266 2.266 108 1HB SER 78 2HB SER 78 -3.035 5.264 5.264 109 2HB SER 78 1HB SER 78 -2.365 4.374 4.374 110 HG SER 78 HG SER 78 -4.758 5.316 5.316 111 H ALA 79 H ALA 79 -2.720 2.506 2.506 112 HA ALA 79 HA ALA 79 -1.051 2.505 2.505 113 1HB ALA 79 2HB ALA 79 0.622 2.271 2.271 114 2HB ALA 79 1HB ALA 79 1.283 2.172 2.172 115 3HB ALA 79 3HB ALA 79 0.106 0.978 0.978 116 H THR 80 H THR 80 -1.625 4.650 4.650 117 HA THR 80 HA THR 80 0.483 6.434 6.434 118 HB THR 80 HB THR 80 0.355 6.953 6.953 119 HG1 THR 80 1HG THR 80 0.209 9.037 9.037 120 1HG2 THR 80 2HG2 THR 80 -2.585 6.838 6.838 121 2HG2 THR 80 1HG2 THR 80 -1.924 7.914 7.914 122 3HG2 THR 80 3HG2 THR 80 -1.581 6.185 6.185 123 H CYS 81 H CYS 81 -1.148 5.606 5.606 124 HA CYS 81 HA CYS 81 -2.860 7.938 7.938 125 1HB CYS 81 1HB CYS 81 -4.331 6.072 6.072 126 2HB CYS 81 2HB CYS 81 -3.319 5.034 5.034 127 HG CYS 81 HG CYS 81 -5.435 6.983 6.983 128 H SER 82 H SER 82 -0.729 8.733 8.733 129 HA SER 82 HA SER 82 0.081 7.556 7.556 130 1HB SER 82 2HB SER 82 1.873 9.369 9.369 131 2HB SER 82 1HB SER 82 1.927 8.133 8.133 132 HG SER 82 HG SER 82 2.152 10.229 10.229 133 H PHE 83 H PHE 83 0.115 8.689 8.689 134 HA PHE 83 HA PHE 83 -1.143 11.299 11.299 135 1HB PHE 83 1HB PHE 83 -2.430 8.780 8.780 136 2HB PHE 83 2HB PHE 83 -2.682 10.280 10.280 137 HD1 PHE 83 HD1 PHE 83 -3.768 12.206 12.206 138 HD2 PHE 83 HD2 PHE 83 -3.533 8.359 8.359 139 HE1 PHE 83 HE1 PHE 83 -5.552 12.839 12.839 140 HE2 PHE 83 HE2 PHE 83 -5.317 8.984 8.984 141 HZ PHE 83 HZ PHE 83 -6.329 11.226 11.226 142 H SER 84 H SER 84 -0.518 12.450 12.450 143 HA SER 84 HA SER 84 1.807 11.782 11.782 144 1HB SER 84 2HB SER 84 0.620 13.527 13.527 145 2HB SER 84 1HB SER 84 1.490 14.008 14.008 146 HG SER 84 HG SER 84 -0.447 14.975 14.975 147 H VAL 85 H VAL 85 2.293 10.816 10.816 148 HA VAL 85 HA VAL 85 0.163 9.996 9.996 149 HB VAL 85 HB VAL 85 0.221 8.168 8.168 150 1HG1 VAL 85 3HG2 VAL 85 2.571 8.420 8.420 151 2HG1 VAL 85 2HG2 VAL 85 3.079 7.782 7.782 152 3HG1 VAL 85 1HG2 VAL 85 2.181 6.758 6.758 153 1HG2 VAL 85 2HG1 VAL 85 -0.214 7.816 7.816 154 2HG2 VAL 85 1HG1 VAL 85 0.280 6.389 6.389 155 3HG2 VAL 85 3HG1 VAL 85 1.445 7.226 7.226 156 H LYS 86 H LYS 86 0.966 9.050 9.050 157 HA LYS 86 HA LYS 86 3.718 9.915 9.915 158 1HB LYS 86 2HB LYS 86 1.205 9.987 9.987 159 2HB LYS 86 1HB LYS 86 2.788 10.009 10.009 160 1HG LYS 86 1HG LYS 86 3.362 12.059 12.059 161 2HG LYS 86 2HG LYS 86 1.898 12.000 12.000 162 1HD LYS 86 1HD LYS 86 1.355 13.511 13.511 163 2HD LYS 86 2HD LYS 86 0.643 11.995 11.995 164 1HE LYS 86 2HE LYS 86 1.807 13.168 13.168 165 2HE LYS 86 1HE LYS 86 2.554 11.610 11.610 166 1HZ LYS 86 3HZ LYS 86 3.620 13.947 13.947 167 2HZ LYS 86 2HZ LYS 86 3.960 13.812 13.812 168 3HZ LYS 86 1HZ LYS 86 4.422 12.580 12.580 169 H TYR 87 H TYR 87 3.899 7.574 7.574 170 HA TYR 87 HA TYR 87 3.186 5.282 5.282 171 1HB TYR 87 1HB TYR 87 4.392 5.292 5.292 172 2HB TYR 87 2HB TYR 87 5.846 5.866 5.866 173 HD1 TYR 87 HD1 TYR 87 3.424 3.160 3.160 174 HD2 TYR 87 HD2 TYR 87 7.435 4.192 4.192 175 HE1 TYR 87 HE1 TYR 87 4.113 0.835 0.835 176 HE2 TYR 87 HE2 TYR 87 8.135 1.869 1.869 177 HH TYR 87 HH2 TYR 87 7.492 -0.115 -0.115 178 H LEU 88 H LEU 88 3.429 4.608 4.608 179 HA LEU 88 HA LEU 88 4.931 5.884 5.884 180 1HB LEU 88 2HB LEU 88 3.615 3.217 3.217 181 2HB LEU 88 1HB LEU 88 4.686 3.517 3.517 182 HG LEU 88 HG LEU 88 3.313 5.403 5.403 183 1HD1 LEU 88 2HD2 LEU 88 2.583 6.099 6.099 184 2HD1 LEU 88 1HD2 LEU 88 1.504 4.705 4.705 185 3HD1 LEU 88 3HD2 LEU 88 1.248 5.972 5.972 186 1HD2 LEU 88 1HD1 LEU 88 2.159 2.698 2.698 187 2HD2 LEU 88 3HD1 LEU 88 2.510 3.601 3.601 188 3HD2 LEU 88 2HD1 LEU 88 1.069 3.980 3.980 189 H GLY 89 H GLY 89 5.704 2.940 2.940 190 1HA GLY 89 1HA GLY 89 8.289 3.179 3.179 191 2HA GLY 89 2HA GLY 89 8.360 2.866 2.866 192 H CYS 90 H CYS 90 9.698 1.061 1.061 193 HA CYS 90 HA CYS 90 7.933 -1.176 -1.176 194 1HB CYS 90 2HB CYS 90 10.920 -1.259 -1.259 195 2HB CYS 90 1HB CYS 90 9.697 -2.126 -2.126 196 HG CYS 90 HG CYS 90 10.610 0.775 0.775 197 H VAL 91 H VAL 91 7.702 -2.888 -2.888 198 HA VAL 91 HA VAL 91 9.549 -3.217 -3.217 199 HB VAL 91 HB VAL 91 7.594 -4.267 -4.267 200 1HG1 VAL 91 1HG1 VAL 91 8.487 -1.697 -1.697 201 2HG1 VAL 91 3HG1 VAL 91 6.765 -1.484 -1.484 202 3HG1 VAL 91 2HG1 VAL 91 7.299 -2.326 -2.326 203 1HG2 VAL 91 2HG2 VAL 91 6.151 -3.051 -3.051 204 2HG2 VAL 91 1HG2 VAL 91 6.039 -4.693 -4.693 205 3HG2 VAL 91 3HG2 VAL 91 5.353 -3.348 -3.348 206 H GLU 92 H GLU 92 9.269 -5.576 -5.576 207 HA GLU 92 HA GLU 92 9.450 -7.344 -7.344 208 1HB GLU 92 2HB GLU 92 10.598 -8.852 -8.852 209 2HB GLU 92 1HB GLU 92 11.483 -7.556 -7.556 210 1HG GLU 92 1HG GLU 92 11.183 -6.111 -6.111 211 2HG GLU 92 2HG GLU 92 10.114 -7.278 -7.278 212 H VAL 93 H VAL 93 8.641 -9.487 -9.487 213 HA VAL 93 HA VAL 93 6.854 -10.263 -10.263 214 HB VAL 93 HB VAL 93 4.893 -10.560 -10.560 215 1HG1 VAL 93 1HG1 VAL 93 5.379 -8.587 -8.587 216 2HG1 VAL 93 3HG1 VAL 93 5.531 -7.650 -7.650 217 3HG1 VAL 93 2HG1 VAL 93 4.023 -8.488 -8.488 218 1HG2 VAL 93 1HG2 VAL 93 6.315 -10.296 -10.296 219 2HG2 VAL 93 3HG2 VAL 93 4.758 -9.471 -9.471 220 3HG2 VAL 93 2HG2 VAL 93 6.239 -8.560 -8.560 221 H PHE 94 H PHE 94 5.520 -12.317 -12.317 222 HA PHE 94 HA PHE 94 7.394 -13.881 -13.881 223 1HB PHE 94 2HB PHE 94 6.310 -14.740 -14.740 224 2HB PHE 94 1HB PHE 94 7.136 -15.813 -15.813 225 HD1 PHE 94 HD2 PHE 94 9.530 -15.434 -15.434 226 HD2 PHE 94 HD1 PHE 94 7.512 -13.257 -13.257 227 HE1 PHE 94 HE2 PHE 94 11.698 -14.780 -14.780 228 HE2 PHE 94 HE1 PHE 94 9.676 -12.598 -12.598 229 HZ PHE 94 HZ PHE 94 11.772 -13.360 -13.360 230 H GLU 95 H GLU 95 4.593 -12.669 -12.669 231 HA GLU 95 HA GLU 95 3.206 -15.166 -15.166 232 1HB GLU 95 1HB GLU 95 1.691 -12.617 -12.617 233 2HB GLU 95 2HB GLU 95 1.166 -14.274 -14.274 234 1HG GLU 95 2HG GLU 95 2.981 -12.676 -12.676 235 2HG GLU 95 1HG GLU 95 1.285 -13.051 -13.051 236 H SER 96 H SER 96 2.943 -11.722 -11.722 237 HA SER 96 HA SER 96 2.584 -10.709 -10.709 238 1HB SER 96 1HB SER 96 4.191 -11.148 -11.148 239 2HB SER 96 2HB SER 96 5.016 -11.457 -11.457 240 HG SER 96 HG SER 96 5.217 -13.083 -13.083 241 H ARG 97 H ARG 97 0.879 -13.041 -13.041 242 HA ARG 97 HA ARG 97 -0.366 -13.385 -13.385 243 1HB ARG 97 2HB ARG 97 0.527 -15.710 -15.710 244 2HB ARG 97 1HB ARG 97 -0.622 -15.856 -15.856 245 1HG ARG 97 1HG ARG 97 1.377 -14.639 -14.639 246 2HG ARG 97 2HG ARG 97 2.304 -15.491 -15.491 247 1HD ARG 97 1HD ARG 97 0.315 -16.739 -16.739 248 2HD ARG 97 2HD ARG 97 2.069 -16.834 -16.834 249 HE ARG 97 HE ARG 97 1.238 -17.795 -17.795 250 1HH1 ARG 97 1HH1 ARG 97 1.273 -18.655 -18.655 251 2HH1 ARG 97 2HH1 ARG 97 1.286 -20.361 -20.361 252 1HH2 ARG 97 1HH2 ARG 97 1.256 -20.043 -20.043 253 2HH2 ARG 97 2HH2 ARG 97 1.277 -21.149 -21.149 254 H GLY 98 H GLY 98 -1.056 -11.947 -11.947 255 1HA GLY 98 1HA GLY 98 -3.727 -13.045 -13.045 256 2HA GLY 98 2HA GLY 98 -2.756 -12.972 -12.972 257 H MET 99 H MET 99 -5.141 -11.436 -11.436 258 HA MET 99 HA MET 99 -4.453 -8.746 -8.746 259 1HB MET 99 2HB MET 99 -6.618 -9.786 -9.786 260 2HB MET 99 1HB MET 99 -7.122 -9.820 -9.820 261 1HG MET 99 1HG MET 99 -6.194 -7.197 -7.197 262 2HG MET 99 2HG MET 99 -7.510 -7.767 -7.767 263 1HE MET 99 2HE MET 99 -8.020 -5.208 -5.208 264 2HE MET 99 1HE MET 99 -8.587 -5.290 -5.290 265 3HE MET 99 3HE MET 99 -6.883 -5.563 -5.563 266 H GLN 100 H GLN 100 -5.278 -10.742 -10.742 267 HA GLN 100 HA GLN 100 -5.645 -8.684 -8.684 268 1HB GLN 100 2HB GLN 100 -4.960 -11.594 -11.594 269 2HB GLN 100 1HB GLN 100 -4.859 -10.599 -10.599 270 1HG GLN 100 2HG GLN 100 -7.122 -10.254 -10.254 271 2HG GLN 100 1HG GLN 100 -7.340 -10.509 -10.509 272 1HE2 GLN 100 1HE2 GLN 100 -8.782 -13.420 -13.420 273 2HE2 GLN 100 2HE2 GLN 100 -9.091 -11.725 -11.725 274 H VAL 101 H VAL 101 -2.809 -10.074 -10.074 275 HA VAL 101 HA VAL 101 -0.908 -9.381 -9.381 276 HB VAL 101 HB VAL 101 -0.471 -9.516 -9.516 277 1HG1 VAL 101 3HG1 VAL 101 1.310 -8.444 -8.444 278 2HG1 VAL 101 2HG1 VAL 101 1.511 -10.013 -10.013 279 3HG1 VAL 101 1HG1 VAL 101 1.827 -9.841 -9.841 280 1HG2 VAL 101 2HG2 VAL 101 -1.541 -11.544 -11.544 281 2HG2 VAL 101 1HG2 VAL 101 -0.092 -11.814 -11.814 282 3HG2 VAL 101 3HG2 VAL 101 0.020 -11.751 -11.751 283 H CYS 102 H CYS 102 -2.387 -7.580 -7.580 284 HA CYS 102 HA CYS 102 -0.665 -5.313 -5.313 285 1HB CYS 102 2HB CYS 102 -3.458 -5.573 -5.573 286 2HB CYS 102 1HB CYS 102 -2.393 -4.191 -4.191 287 HG CYS 102 HG CYS 102 -0.896 -6.472 -6.472 288 H GLU 103 H GLU 103 -3.674 -6.277 -6.277 289 HA GLU 103 HA GLU 103 -4.329 -3.786 -3.786 290 1HB GLU 103 2HB GLU 103 -4.965 -6.546 -6.546 291 2HB GLU 103 1HB GLU 103 -5.802 -5.052 -5.052 292 1HG GLU 103 2HG GLU 103 -6.783 -4.902 -4.902 293 2HG GLU 103 1HG GLU 103 -5.668 -6.080 -6.080 294 H GLU 104 H GLU 104 -2.305 -6.477 -6.477 295 HA GLU 104 HA GLU 104 -1.693 -5.246 -5.246 296 1HB GLU 104 1HB GLU 104 -0.206 -7.203 -7.203 297 2HB GLU 104 2HB GLU 104 -1.857 -7.666 -7.666 298 1HG GLU 104 1HG GLU 104 -1.217 -8.097 -8.097 299 2HG GLU 104 2HG GLU 104 0.433 -7.580 -7.580 300 H ALA 105 H ALA 105 -0.149 -5.808 -5.808 301 HA ALA 105 HA ALA 105 2.431 -4.921 -4.921 302 1HB ALA 105 2HB ALA 105 1.782 -6.091 -6.091 303 2HB ALA 105 1HB ALA 105 1.021 -4.599 -4.599 304 3HB ALA 105 3HB ALA 105 2.761 -4.650 -4.650 305 H LEU 106 H LEU 106 -0.338 -3.131 -3.131 306 HA LEU 106 HA LEU 106 0.798 -0.625 -0.625 307 1HB LEU 106 1HB LEU 106 -1.492 -1.309 -1.309 308 2HB LEU 106 2HB LEU 106 -2.011 -1.213 -1.213 309 HG LEU 106 HG LEU 106 -1.483 1.197 1.197 310 1HD1 LEU 106 2HD2 LEU 106 -0.662 0.620 0.620 311 2HD1 LEU 106 1HD2 LEU 106 -1.165 2.232 2.232 312 3HD1 LEU 106 3HD2 LEU 106 0.233 1.466 1.466 313 1HD2 LEU 106 2HD1 LEU 106 -3.716 0.132 0.132 314 2HD2 LEU 106 1HD1 LEU 106 -3.435 1.853 1.853 315 3HD2 LEU 106 3HD1 LEU 106 -3.230 0.710 0.710 316 H LYS 107 H LYS 107 -0.339 -2.295 -2.295 317 HA LYS 107 HA LYS 107 -0.105 -0.001 -0.001 318 1HB LYS 107 2HB LYS 107 -1.712 -1.659 -1.659 319 2HB LYS 107 1HB LYS 107 -0.520 -2.946 -2.946 320 1HG LYS 107 2HG LYS 107 0.183 -0.841 -0.841 321 2HG LYS 107 1HG LYS 107 -1.308 -1.701 -1.701 322 1HD LYS 107 2HD LYS 107 0.458 -3.703 -3.703 323 2HD LYS 107 1HD LYS 107 1.448 -2.585 -2.585 324 1HE LYS 107 1HE LYS 107 -0.022 -2.752 -2.752 325 2HE LYS 107 2HE LYS 107 -1.209 -3.654 -3.654 326 1HZ LYS 107 1HZ LYS 107 0.479 -5.431 -5.431 327 2HZ LYS 107 3HZ LYS 107 1.483 -4.584 -4.584 328 3HZ LYS 107 2HZ LYS 107 -0.010 -5.173 -5.173 329 H VAL 108 H VAL 108 1.788 -2.915 -2.915 330 HA VAL 108 HA VAL 108 3.795 -2.562 -2.562 331 HB VAL 108 HB VAL 108 4.260 -3.712 -3.712 332 1HG1 VAL 108 1HG1 VAL 108 5.852 -3.462 -3.462 333 2HG1 VAL 108 3HG1 VAL 108 5.493 -5.171 -5.171 334 3HG1 VAL 108 2HG1 VAL 108 6.259 -4.236 -4.236 335 1HG2 VAL 108 1HG2 VAL 108 2.322 -4.540 -4.540 336 2HG2 VAL 108 3HG2 VAL 108 2.835 -5.365 -5.365 337 3HG2 VAL 108 2HG2 VAL 108 3.635 -5.715 -5.715 338 H LEU 109 H LEU 109 3.330 -1.095 -1.095 339 HA LEU 109 HA LEU 109 5.863 -0.046 -0.046 340 1HB LEU 109 1HB LEU 109 3.147 0.473 0.473 341 2HB LEU 109 2HB LEU 109 4.097 1.944 1.944 342 HG LEU 109 HG LEU 109 4.306 1.120 1.120 343 1HD1 LEU 109 1HD2 LEU 109 6.560 1.212 1.212 344 2HD1 LEU 109 3HD2 LEU 109 6.845 0.017 0.017 345 3HD1 LEU 109 2HD2 LEU 109 6.445 1.680 1.680 346 1HD2 LEU 109 2HD1 LEU 109 4.661 -1.526 -1.526 347 2HD2 LEU 109 1HD1 LEU 109 3.608 -1.073 -1.073 348 3HD2 LEU 109 3HD1 LEU 109 5.344 -1.251 -1.251 349 H ARG 110 H ARG 110 3.351 0.941 0.941 350 HA ARG 110 HA ARG 110 4.644 3.440 3.440 351 1HB ARG 110 2HB ARG 110 2.066 2.188 2.188 352 2HB ARG 110 1HB ARG 110 2.721 2.885 2.885 353 1HG ARG 110 1HG ARG 110 1.782 4.779 4.779 354 2HG ARG 110 2HG ARG 110 3.169 4.881 4.881 355 1HD ARG 110 2HD ARG 110 1.837 4.703 4.703 356 2HD ARG 110 1HD ARG 110 1.198 3.174 3.174 357 HE ARG 110 HE ARG 110 -0.708 4.280 4.280 358 1HH1 ARG 110 1HH1 ARG 110 1.893 6.591 6.591 359 2HH1 ARG 110 2HH1 ARG 110 0.870 7.957 7.957 360 1HH2 ARG 110 1HH2 ARG 110 -2.064 6.072 6.072 361 2HH2 ARG 110 2HH2 ARG 110 -1.380 7.661 7.661 362 H GLN 111 H GLN 111 3.942 0.355 0.355 363 HA GLN 111 HA GLN 111 5.213 0.850 0.850 364 1HB GLN 111 1HB GLN 111 4.511 -1.581 -1.581 365 2HB GLN 111 2HB GLN 111 5.687 -1.781 -1.781 366 1HG GLN 111 1HG GLN 111 3.086 -0.395 -0.395 367 2HG GLN 111 2HG GLN 111 3.192 -2.155 -2.155 368 1HE2 GLN 111 2HE2 GLN 111 4.858 -2.392 -2.392 369 2HE2 GLN 111 1HE2 GLN 111 4.410 -3.189 -3.189 370 H SER 112 H SER 112 6.540 0.215 0.215 371 HA SER 112 HA SER 112 9.177 -0.450 -0.450 372 1HB SER 112 2HB SER 112 9.788 -0.679 -0.679 373 2HB SER 112 1HB SER 112 8.141 -1.304 -1.304 374 HG SER 112 HG SER 112 8.635 0.222 0.222 375 H ARG 113 H ARG 113 10.976 0.856 0.856 376 HA ARG 113 HA ARG 113 10.809 3.558 3.558 377 1HB ARG 113 2HB ARG 113 13.152 3.725 3.725 378 2HB ARG 113 1HB ARG 113 12.864 2.174 2.174 379 1HG ARG 113 1HG ARG 113 14.147 1.418 1.418 380 2HG ARG 113 2HG ARG 113 12.621 1.448 1.448 381 1HD ARG 113 2HD ARG 113 14.114 2.544 2.544 382 2HD ARG 113 1HD ARG 113 13.245 3.853 3.853 383 HE ARG 113 HE ARG 113 15.576 3.251 3.251 384 1HH1 ARG 113 1HH1 ARG 113 14.564 4.686 4.686 385 2HH1 ARG 113 2HH1 ARG 113 15.937 5.734 5.734 386 1HH2 ARG 113 1HH2 ARG 113 17.391 4.627 4.627 387 2HH2 ARG 113 2HH2 ARG 113 17.547 5.701 5.701 388 H ARG 114 H ARG 114 9.858 2.103 2.103 389 HA ARG 114 HA ARG 114 10.740 3.612 3.612 390 1HB ARG 114 2HB ARG 114 8.069 2.382 2.382 391 2HB ARG 114 1HB ARG 114 8.321 3.276 3.276 392 1HG ARG 114 1HG ARG 114 9.961 0.907 0.907 393 2HG ARG 114 2HG ARG 114 8.607 0.836 0.836 394 1HD ARG 114 2HD ARG 114 10.285 1.036 1.036 395 2HD ARG 114 1HD ARG 114 10.023 2.749 2.749 396 HE ARG 114 HE ARG 114 12.112 2.841 2.841 397 1HH1 ARG 114 1HH1 ARG 114 11.060 -0.481 -0.481 398 2HH1 ARG 114 2HH1 ARG 114 12.579 -1.100 -1.100 399 1HH2 ARG 114 1HH2 ARG 114 14.114 2.035 2.035 400 2HH2 ARG 114 2HH2 ARG 114 14.315 0.331 0.331 401 H ARG 115 H ARG 115 9.155 5.196 5.196 402 HA ARG 115 HA ARG 115 7.739 7.068 7.068 403 1HB ARG 115 2HB ARG 115 9.907 7.857 7.857 404 2HB ARG 115 1HB ARG 115 10.474 7.748 7.748 405 1HG ARG 115 1HG ARG 115 9.879 9.841 9.841 406 2HG ARG 115 2HG ARG 115 8.227 9.519 9.519 407 1HD ARG 115 1HD ARG 115 8.903 11.167 11.167 408 2HD ARG 115 2HD ARG 115 9.221 9.691 9.691 409 HE ARG 115 HE ARG 115 11.529 10.389 10.389 410 1HH1 ARG 115 1HH1 ARG 115 9.600 11.511 11.511 411 2HH1 ARG 115 2HH1 ARG 115 10.931 12.270 12.270 412 1HH2 ARG 115 1HH2 ARG 115 13.288 11.384 11.384 413 2HH2 ARG 115 2HH2 ARG 115 13.028 12.199 12.199 414 HA PRO 116 HA PRO 116 5.532 7.582 7.582 415 1HB PRO 116 2HB PRO 116 5.252 10.379 10.379 416 2HB PRO 116 1HB PRO 116 4.016 9.280 9.280 417 1HG PRO 116 1HG PRO 116 4.247 9.714 9.714 418 2HG PRO 116 2HG PRO 116 3.880 8.095 8.095 419 1HD PRO 116 1HD PRO 116 6.427 9.168 9.168 420 2HD PRO 116 2HD PRO 116 5.758 7.527 7.527 421 H VAL 117 H VAL 117 5.826 8.544 8.544 422 HA VAL 117 HA VAL 117 8.201 10.272 10.272 423 HB VAL 117 HB VAL 117 8.582 7.921 7.921 424 1HG1 VAL 117 3HG2 VAL 117 6.151 7.888 7.888 425 2HG1 VAL 117 2HG2 VAL 117 6.966 8.512 8.512 426 3HG1 VAL 117 1HG2 VAL 117 7.450 6.960 6.960 427 1HG2 VAL 117 1HG1 VAL 117 9.534 10.224 10.224 428 2HG2 VAL 117 3HG1 VAL 117 10.033 8.639 8.639 429 3HG2 VAL 117 2HG1 VAL 117 8.805 9.559 9.559 430 H ARG 118 H ARG 118 7.608 12.237 12.237 431 HA ARG 118 HA ARG 118 5.127 12.786 12.786 432 1HB ARG 118 2HB ARG 118 6.461 14.374 14.374 433 2HB ARG 118 1HB ARG 118 7.537 14.603 14.603 434 1HG ARG 118 2HG ARG 118 4.872 14.985 14.985 435 2HG ARG 118 1HG ARG 118 5.100 15.923 15.923 436 1HD ARG 118 2HD ARG 118 7.422 16.259 16.259 437 2HD ARG 118 1HD ARG 118 6.032 16.478 16.478 438 HE ARG 118 HE ARG 118 5.608 18.455 18.455 439 1HH1 ARG 118 1HH1 ARG 118 7.638 16.512 16.512 440 2HH1 ARG 118 2HH1 ARG 118 7.863 17.761 17.761 441 1HH2 ARG 118 1HH2 ARG 118 5.897 20.109 20.109 442 2HH2 ARG 118 2HH2 ARG 118 6.873 19.806 19.806 443 H GLY 119 H GLY 119 5.713 11.015 11.015 444 1HA GLY 119 2HA GLY 119 7.083 12.298 12.298 445 2HA GLY 119 1HA GLY 119 7.076 10.566 10.566 446 H LEU 120 H LEU 120 6.239 10.120 10.120 447 HA LEU 120 HA LEU 120 3.361 10.628 10.628 448 1HB LEU 120 1HB LEU 120 4.186 12.245 12.245 449 2HB LEU 120 2HB LEU 120 5.508 11.227 11.227 450 HG LEU 120 HG LEU 120 3.740 9.771 9.771 451 1HD1 LEU 120 2HD2 LEU 120 2.028 11.557 11.557 452 2HD1 LEU 120 1HD2 LEU 120 1.884 11.909 11.909 453 3HD1 LEU 120 3HD2 LEU 120 1.595 10.273 10.273 454 1HD2 LEU 120 3HD1 LEU 120 4.275 12.594 12.594 455 2HD2 LEU 120 2HD1 LEU 120 5.178 11.139 11.139 456 3HD2 LEU 120 1HD1 LEU 120 3.535 11.361 11.361 457 H LEU 121 H LEU 121 2.232 8.836 8.836 458 HA LEU 121 HA LEU 121 3.605 6.336 6.336 459 1HB LEU 121 1HB LEU 121 1.247 7.037 7.037 460 2HB LEU 121 2HB LEU 121 0.682 6.391 6.391 461 HG LEU 121 HG LEU 121 2.282 4.958 4.958 462 1HD1 LEU 121 1HD2 LEU 121 -0.243 5.213 5.213 463 2HD1 LEU 121 3HD2 LEU 121 -0.335 4.167 4.167 464 3HD1 LEU 121 2HD2 LEU 121 0.403 3.572 3.572 465 1HD2 LEU 121 1HD1 LEU 121 3.160 4.399 4.399 466 2HD2 LEU 121 3HD1 LEU 121 2.329 3.036 3.036 467 3HD2 LEU 121 2HD1 LEU 121 1.531 3.963 3.963 468 H HIS 122 H HIS 122 4.578 6.482 6.482 469 HA HIS 122 HA HIS 122 3.141 7.225 7.225 470 1HB HIS 122 2HB HIS 122 5.841 6.689 6.689 471 2HB HIS 122 1HB HIS 122 5.424 5.623 5.623 472 HD1 HIS 122 HD1 HIS 122 3.989 7.169 7.169 473 HD2 HIS 122 HD2 HIS 122 6.854 8.977 8.977 474 HE1 HIS 122 HE1 HIS 122 4.705 9.270 9.270 475 H VAL 123 H VAL 123 1.336 5.959 5.959 476 HA VAL 123 HA VAL 123 1.709 3.060 3.060 477 HB VAL 123 HB VAL 123 -0.937 4.485 4.485 478 1HG1 VAL 123 2HG1 VAL 123 0.000 1.704 1.704 479 2HG1 VAL 123 1HG1 VAL 123 -1.363 2.117 2.117 480 3HG1 VAL 123 3HG1 VAL 123 -1.476 2.363 2.363 481 1HG2 VAL 123 2HG2 VAL 123 0.825 4.404 4.404 482 2HG2 VAL 123 1HG2 VAL 123 -0.807 5.066 5.066 483 3HG2 VAL 123 3HG2 VAL 123 -0.567 3.374 3.374 484 H SER 124 H SER 124 0.647 1.945 1.945 485 HA SER 124 HA SER 124 -0.147 3.380 3.380 486 1HB SER 124 2HB SER 124 2.156 1.875 1.875 487 2HB SER 124 1HB SER 124 1.785 3.581 3.581 488 HG SER 124 HG SER 124 3.708 3.342 3.342 489 H GLY 125 H GLY 125 -1.157 1.265 1.265 490 1HA GLY 125 2HA GLY 125 -2.032 -0.862 -0.862 491 2HA GLY 125 1HA GLY 125 -2.299 -0.442 -0.442 492 H ASP 126 H ASP 126 0.722 -1.016 -1.016 493 HA ASP 126 HA ASP 126 1.172 -3.593 -3.593 494 1HB ASP 126 1HB ASP 126 1.613 -1.560 -1.560 495 2HB ASP 126 2HB ASP 126 3.223 -1.918 -1.918 496 H GLY 127 H GLY 127 2.725 -0.607 -0.607 497 1HA GLY 127 2HA GLY 127 4.164 -2.187 -2.187 498 2HA GLY 127 1HA GLY 127 5.142 -1.286 -1.286 499 H LEU 128 H LEU 128 3.743 -1.224 -1.224 500 HA LEU 128 HA LEU 128 3.295 1.642 1.642 501 1HB LEU 128 1HB LEU 128 3.491 -0.095 -0.095 502 2HB LEU 128 2HB LEU 128 2.483 1.311 1.311 503 HG LEU 128 HG LEU 128 1.924 -1.113 -1.113 504 1HD1 LEU 128 3HD1 LEU 128 2.170 -1.307 -1.307 505 2HD1 LEU 128 2HD1 LEU 128 0.439 -1.198 -1.198 506 3HD1 LEU 128 1HD1 LEU 128 1.405 -2.460 -2.460 507 1HD2 LEU 128 2HD2 LEU 128 0.689 1.012 1.012 508 2HD2 LEU 128 1HD2 LEU 128 -0.345 -0.336 -0.336 509 3HD2 LEU 128 3HD2 LEU 128 0.135 0.868 0.868 510 H ARG 129 H ARG 129 4.895 3.046 3.046 511 HA ARG 129 HA ARG 129 7.243 2.195 2.195 512 1HB ARG 129 1HB ARG 129 7.379 3.870 3.870 513 2HB ARG 129 2HB ARG 129 8.735 3.274 3.274 514 1HG ARG 129 1HG ARG 129 7.492 0.951 0.951 515 2HG ARG 129 2HG ARG 129 7.090 1.910 1.910 516 1HD ARG 129 2HD ARG 129 9.851 1.381 1.381 517 2HD ARG 129 1HD ARG 129 9.147 0.682 0.682 518 HE ARG 129 HE ARG 129 10.269 3.318 3.318 519 1HH1 ARG 129 1HH1 ARG 129 8.130 1.290 1.290 520 2HH1 ARG 129 2HH1 ARG 129 8.241 2.257 2.257 521 1HH2 ARG 129 1HH2 ARG 129 10.423 4.601 4.601 522 2HH2 ARG 129 2HH2 ARG 129 9.545 4.140 4.140 523 H VAL 130 H VAL 130 6.816 3.365 3.365 524 HA VAL 130 HA VAL 130 5.973 6.129 6.129 525 HB VAL 130 HB VAL 130 5.053 4.803 4.803 526 1HG1 VAL 130 2HG2 VAL 130 7.924 4.297 4.297 527 2HG1 VAL 130 1HG2 VAL 130 6.606 4.057 4.057 528 3HG1 VAL 130 3HG2 VAL 130 6.657 3.123 3.123 529 1HG2 VAL 130 3HG1 VAL 130 6.349 7.271 7.271 530 2HG2 VAL 130 2HG1 VAL 130 5.011 6.610 6.610 531 3HG2 VAL 130 1HG1 VAL 130 6.673 6.328 6.328 532 H VAL 131 H VAL 131 7.253 7.867 7.867 533 HA VAL 131 HA VAL 131 10.021 7.548 7.548 534 HB VAL 131 HB VAL 131 10.158 7.452 7.452 535 1HG1 VAL 131 2HG2 VAL 131 8.241 9.702 9.702 536 2HG1 VAL 131 1HG2 VAL 131 9.431 9.745 9.745 537 3HG1 VAL 131 3HG2 VAL 131 8.340 8.367 8.367 538 1HG2 VAL 131 1HG1 VAL 131 11.662 9.036 9.036 539 2HG2 VAL 131 3HG1 VAL 131 11.882 8.915 8.915 540 3HG2 VAL 131 2HG1 VAL 131 10.976 10.265 10.265 541 H ASP 132 H ASP 132 10.714 9.128 9.128 542 HA ASP 132 HA ASP 132 8.914 11.065 11.065 543 1HB ASP 132 2HB ASP 132 10.888 10.009 10.009 544 2HB ASP 132 1HB ASP 132 11.913 11.136 11.136 545 H ASP 133 H ASP 133 8.927 13.320 13.320 546 HA ASP 133 HA ASP 133 10.025 14.287 14.287 547 1HB ASP 133 1HB ASP 133 7.861 15.327 15.327 548 2HB ASP 133 2HB ASP 133 8.486 16.266 16.266 549 H GLU 134 H GLU 134 11.498 13.962 13.962 550 HA GLU 134 HA GLU 134 12.556 16.707 16.707 551 1HB GLU 134 1HB GLU 134 11.232 15.913 15.913 552 2HB GLU 134 2HB GLU 134 12.589 14.837 14.837 553 1HG GLU 134 2HG GLU 134 14.036 16.577 16.577 554 2HG GLU 134 1HG GLU 134 13.051 17.760 17.760 555 H THR 135 H THR 135 13.230 13.262 13.262 556 HA THR 135 HA THR 135 16.094 13.804 13.804 557 HB THR 135 HB THR 135 16.339 11.386 11.386 558 HG1 THR 135 1HG THR 135 14.283 10.622 10.622 559 1HG2 THR 135 3HG2 THR 135 15.330 13.552 13.552 560 2HG2 THR 135 2HG2 THR 135 15.514 11.926 11.926 561 3HG2 THR 135 1HG2 THR 135 16.905 12.760 12.760 562 H LYS 136 H LYS 136 13.315 12.266 12.266 563 HA LYS 136 HA LYS 136 12.973 11.095 11.095 564 1HB LYS 136 1HB LYS 136 14.028 13.463 13.463 565 2HB LYS 136 2HB LYS 136 15.292 12.428 12.428 566 1HG LYS 136 2HG LYS 136 13.828 12.814 12.814 567 2HG LYS 136 1HG LYS 136 13.440 11.189 11.189 568 1HD LYS 136 1HD LYS 136 11.576 12.150 12.150 569 2HD LYS 136 2HD LYS 136 11.931 13.726 13.726 570 1HE LYS 136 1HE LYS 136 11.614 11.556 11.556 571 2HE LYS 136 2HE LYS 136 10.162 11.920 11.920 572 1HZ LYS 136 3HZ LYS 136 11.732 14.031 14.031 573 2HZ LYS 136 2HZ LYS 136 10.485 13.195 13.195 574 3HZ LYS 136 1HZ LYS 136 10.151 14.122 14.122 575 H GLY 137 H GLY 137 14.325 9.524 9.524 576 1HA GLY 137 1HA GLY 137 16.459 8.315 8.315 577 2HA GLY 137 2HA GLY 137 16.376 8.199 8.199 578 H LEU 138 H LEU 138 13.402 7.909 7.909 579 HA LEU 138 HA LEU 138 11.915 6.219 6.219 580 1HB LEU 138 1HB LEU 138 13.071 5.473 5.473 581 2HB LEU 138 2HB LEU 138 14.514 5.114 5.114 582 HG LEU 138 HG LEU 138 13.387 3.097 3.097 583 1HD1 LEU 138 1HD1 LEU 138 11.081 4.346 4.346 584 2HD1 LEU 138 3HD1 LEU 138 11.310 2.875 2.875 585 3HD1 LEU 138 2HD1 LEU 138 11.202 2.785 2.785 586 1HD2 LEU 138 3HD2 LEU 138 14.414 3.510 3.510 587 2HD2 LEU 138 2HD2 LEU 138 14.344 2.002 2.002 588 3HD2 LEU 138 1HD2 LEU 138 13.023 2.439 2.439 589 H ILE 139 H ILE 139 10.964 4.465 4.465 590 HA ILE 139 HA ILE 139 12.421 3.443 3.443 591 HB ILE 139 HB ILE 139 9.469 3.920 3.920 592 1HG1 ILE 139 2HG1 ILE 139 11.642 5.928 5.928 593 2HG1 ILE 139 1HG1 ILE 139 10.383 6.094 6.094 594 1HG2 ILE 139 2HG2 ILE 139 11.643 3.762 3.762 595 2HG2 ILE 139 1HG2 ILE 139 9.930 4.019 4.019 596 3HG2 ILE 139 3HG2 ILE 139 10.472 2.502 2.502 597 1HD1 ILE 139 1HD1 ILE 139 8.810 5.791 5.791 598 2HD1 ILE 139 3HD1 ILE 139 10.230 6.403 6.403 599 3HD1 ILE 139 2HD1 ILE 139 9.490 7.359 7.359 600 H VAL 140 H VAL 140 9.529 2.956 2.956 601 HA VAL 140 HA VAL 140 9.941 0.058 0.058 602 HB VAL 140 HB VAL 140 7.347 1.402 1.402 603 1HG1 VAL 140 3HG1 VAL 140 8.140 -1.178 -1.178 604 2HG1 VAL 140 2HG1 VAL 140 7.334 -1.282 -1.282 605 3HG1 VAL 140 1HG1 VAL 140 6.466 -0.648 -0.648 606 1HG2 VAL 140 1HG2 VAL 140 8.107 1.962 1.962 607 2HG2 VAL 140 3HG2 VAL 140 6.580 1.084 1.084 608 3HG2 VAL 140 2HG2 VAL 140 8.062 0.238 0.238 609 H ASP 141 H ASP 141 10.154 -1.187 -1.187 610 HA ASP 141 HA ASP 141 9.568 -0.055 -0.055 611 1HB ASP 141 2HB ASP 141 11.922 0.493 0.493 612 2HB ASP 141 1HB ASP 141 12.268 -1.188 -1.188 613 H GLN 142 H GLN 142 7.899 -1.799 -1.799 614 HA GLN 142 HA GLN 142 8.794 -4.438 -4.438 615 1HB GLN 142 2HB GLN 142 6.391 -3.943 -3.943 616 2HB GLN 142 1HB GLN 142 7.219 -5.464 -5.464 617 1HG GLN 142 1HG GLN 142 8.132 -3.150 -3.150 618 2HG GLN 142 2HG GLN 142 7.823 -4.812 -4.812 619 1HE2 GLN 142 2HE2 GLN 142 10.879 -6.043 -6.043 620 2HE2 GLN 142 1HE2 GLN 142 9.200 -6.433 -6.433 621 H THR 143 H THR 143 7.121 -5.758 -5.758 622 HA THR 143 HA THR 143 5.548 -4.104 -4.104 623 HB THR 143 HB THR 143 6.287 -7.027 -7.027 624 HG1 THR 143 1HG THR 143 8.090 -5.695 -5.695 625 1HG2 THR 143 3HG2 THR 143 4.535 -5.360 -5.360 626 2HG2 THR 143 2HG2 THR 143 5.796 -6.181 -6.181 627 3HG2 THR 143 1HG2 THR 143 4.684 -7.116 -7.116 628 H ILE 144 H ILE 144 3.442 -3.939 -3.939 629 HA ILE 144 HA ILE 144 1.978 -5.022 -5.022 630 HB ILE 144 HB ILE 144 1.483 -3.028 -3.028 631 1HG1 ILE 144 1HG1 ILE 144 -0.759 -4.813 -4.813 632 2HG1 ILE 144 2HG1 ILE 144 0.121 -3.640 -3.640 633 1HG2 ILE 144 1HG2 ILE 144 1.297 -4.690 -4.690 634 2HG2 ILE 144 3HG2 ILE 144 -0.354 -4.906 -4.906 635 3HG2 ILE 144 2HG2 ILE 144 0.209 -3.306 -3.306 636 1HD1 ILE 144 3HD1 ILE 144 -0.785 -2.186 -2.186 637 2HD1 ILE 144 2HD1 ILE 144 -2.127 -3.251 -3.251 638 3HD1 ILE 144 1HD1 ILE 144 -1.441 -2.170 -2.170 639 H GLU 145 H GLU 145 2.589 -6.315 -6.315 640 HA GLU 145 HA GLU 145 0.578 -8.343 -8.343 641 1HB GLU 145 2HB GLU 145 1.324 -7.672 -7.672 642 2HB GLU 145 1HB GLU 145 3.008 -7.964 -7.964 643 1HG GLU 145 1HG GLU 145 2.805 -10.246 -10.246 644 2HG GLU 145 2HG GLU 145 1.063 -10.221 -10.221 645 H LYS 146 H LYS 146 3.814 -7.997 -7.997 646 HA LYS 146 HA LYS 146 4.025 -10.855 -10.855 647 1HB LYS 146 2HB LYS 146 5.910 -8.833 -8.833 648 2HB LYS 146 1HB LYS 146 6.225 -9.336 -9.336 649 1HG LYS 146 2HG LYS 146 6.444 -11.640 -11.640 650 2HG LYS 146 1HG LYS 146 6.038 -11.187 -11.187 651 1HD LYS 146 1HD LYS 146 8.052 -9.580 -9.580 652 2HD LYS 146 2HD LYS 146 8.517 -10.579 -10.579 653 1HE LYS 146 2HE LYS 146 9.441 -12.027 -12.027 654 2HE LYS 146 1HE LYS 146 7.846 -12.349 -12.349 655 1HZ LYS 146 1HZ LYS 146 8.245 -10.354 -10.354 656 2HZ LYS 146 3HZ LYS 146 9.858 -10.397 -10.397 657 3HZ LYS 146 2HZ LYS 146 9.202 -11.708 -11.708 658 H VAL 147 H VAL 147 3.835 -7.711 -7.711 659 HA VAL 147 HA VAL 147 4.234 -8.400 -8.400 660 HB VAL 147 HB VAL 147 2.063 -6.505 -6.505 661 1HG1 VAL 147 1HG1 VAL 147 2.177 -7.063 -7.063 662 2HG1 VAL 147 3HG1 VAL 147 3.829 -6.446 -6.446 663 3HG1 VAL 147 2HG1 VAL 147 2.490 -5.361 -5.361 664 1HG2 VAL 147 2HG2 VAL 147 4.899 -6.362 -6.362 665 2HG2 VAL 147 1HG2 VAL 147 3.615 -5.279 -5.279 666 3HG2 VAL 147 3HG2 VAL 147 4.371 -5.036 -5.036 667 H SER 148 H SER 148 2.930 -9.186 -9.186 668 HA SER 148 HA SER 148 1.242 -11.280 -11.280 669 1HB SER 148 2HB SER 148 1.037 -9.573 -9.573 670 2HB SER 148 1HB SER 148 0.646 -11.285 -11.285 671 HG SER 148 HG SER 148 2.646 -11.246 -11.246 672 H PHE 149 H PHE 149 0.427 -7.893 -7.893 673 HA PHE 149 HA PHE 149 -1.661 -7.483 -7.483 674 1HB PHE 149 2HB PHE 149 -3.715 -7.934 -7.934 675 2HB PHE 149 1HB PHE 149 -2.955 -9.351 -9.351 676 HD1 PHE 149 HD2 PHE 149 -2.719 -7.304 -7.304 677 HD2 PHE 149 HD1 PHE 149 -2.764 -11.185 -11.185 678 HE1 PHE 149 HE2 PHE 149 -2.578 -8.312 -8.312 679 HE2 PHE 149 HE1 PHE 149 -2.621 -12.198 -12.198 680 HZ PHE 149 HZ PHE 149 -2.529 -10.761 -10.761 681 H CYS 150 H CYS 150 -3.516 -6.029 -6.029 682 HA CYS 150 HA CYS 150 -2.041 -4.275 -4.275 683 1HB CYS 150 1HB CYS 150 -3.056 -2.349 -2.349 684 2HB CYS 150 2HB CYS 150 -2.352 -3.314 -3.314 685 HG CYS 150 HG CYS 150 -5.370 -2.873 -2.873 686 H ALA 151 H ALA 151 -3.107 -3.521 -3.521 687 HA ALA 151 HA ALA 151 -5.933 -3.636 -3.636 688 1HB ALA 151 1HB ALA 151 -4.278 -5.816 -5.816 689 2HB ALA 151 3HB ALA 151 -5.828 -5.321 -5.321 690 3HB ALA 151 2HB ALA 151 -5.753 -5.953 -5.953 691 HA PRO 152 HA PRO 152 -4.473 -0.738 -0.738 692 1HB PRO 152 1HB PRO 152 -6.829 0.336 0.336 693 2HB PRO 152 2HB PRO 152 -6.112 0.617 0.617 694 1HG PRO 152 2HG PRO 152 -8.336 -1.213 -1.213 695 2HG PRO 152 1HG PRO 152 -8.132 -0.247 -0.247 696 1HD PRO 152 2HD PRO 152 -7.581 -2.967 -2.967 697 2HD PRO 152 1HD PRO 152 -6.988 -1.904 -1.904 698 H ASP 153 H ASP 153 -7.510 -1.205 -1.205 699 HA ASP 153 HA ASP 153 -6.576 -3.233 -3.233 700 1HB ASP 153 1HB ASP 153 -5.475 -1.021 -1.021 701 2HB ASP 153 2HB ASP 153 -7.093 -0.531 -0.531 702 H ARG 154 H ARG 154 -8.803 -0.450 -0.450 703 HA ARG 154 HA ARG 154 -11.106 -2.127 -2.127 704 1HB ARG 154 2HB ARG 154 -10.163 -1.386 -1.386 705 2HB ARG 154 1HB ARG 154 -11.838 -0.944 -0.944 706 1HG ARG 154 2HG ARG 154 -11.169 -3.649 -3.649 707 2HG ARG 154 1HG ARG 154 -10.970 -3.381 -3.381 708 1HD ARG 154 2HD ARG 154 -13.249 -2.556 -2.556 709 2HD ARG 154 1HD ARG 154 -13.456 -2.741 -2.741 710 HE ARG 154 HE ARG 154 -13.813 -4.981 -4.981 711 1HH1 ARG 154 1HH1 ARG 154 -12.384 -3.634 -3.634 712 2HH1 ARG 154 2HH1 ARG 154 -12.594 -5.076 -5.076 713 1HH2 ARG 154 1HH2 ARG 154 -14.094 -6.885 -6.885 714 2HH2 ARG 154 2HH2 ARG 154 -13.567 -6.925 -6.925 715 H ASN 155 H ASN 155 -9.851 0.300 0.300 716 HA ASN 155 HA ASN 155 -10.372 2.423 2.423 717 1HB ASN 155 2HB ASN 155 -12.015 0.994 0.994 718 2HB ASN 155 1HB ASN 155 -13.168 1.273 1.273 719 1HD2 ASN 155 2HD2 ASN 155 -14.436 4.013 4.013 720 2HD2 ASN 155 1HD2 ASN 155 -14.687 2.549 2.549 721 H HIS 156 H HIS 156 -9.949 2.533 2.533 722 HA HIS 156 HA HIS 156 -12.079 4.332 4.332 723 1HB HIS 156 1HB HIS 156 -11.068 1.947 1.947 724 2HB HIS 156 2HB HIS 156 -10.687 3.328 3.328 725 HD1 HIS 156 HD1 HIS 156 -12.598 4.316 4.316 726 HD2 HIS 156 HD2 HIS 156 -13.863 1.595 1.595 727 HE1 HIS 156 HE1 HIS 156 -15.058 3.918 3.918 728 H GLU 157 H GLU 157 -8.939 4.261 4.261 729 HA GLU 157 HA GLU 157 -8.467 6.775 6.775 730 1HB GLU 157 1HB GLU 157 -5.942 5.804 5.804 731 2HB GLU 157 2HB GLU 157 -7.063 5.783 5.783 732 1HG GLU 157 1HG GLU 157 -7.562 3.532 3.532 733 2HG GLU 157 2HG GLU 157 -6.935 3.507 3.507 734 H ARG 158 H ARG 158 -8.816 5.482 5.482 735 HA ARG 158 HA ARG 158 -8.125 5.992 5.992 736 1HB ARG 158 1HB ARG 158 -7.017 8.370 8.370 737 2HB ARG 158 2HB ARG 158 -7.033 8.244 8.244 738 1HG ARG 158 1HG ARG 158 -8.932 9.462 9.462 739 2HG ARG 158 2HG ARG 158 -9.587 7.824 7.824 740 1HD ARG 158 1HD ARG 158 -8.765 8.357 8.357 741 2HD ARG 158 2HD ARG 158 -9.677 9.759 9.759 742 HE ARG 158 HE ARG 158 -10.752 7.274 7.274 743 1HH1 ARG 158 2HH1 ARG 158 -11.060 9.690 9.690 744 2HH1 ARG 158 1HH1 ARG 158 -12.721 9.325 9.325 745 1HH2 ARG 158 2HH2 ARG 158 -12.940 6.790 6.790 746 2HH2 ARG 158 1HH2 ARG 158 -13.789 7.679 7.679 747 H GLY 159 H GLY 159 -6.464 4.219 4.219 748 1HA GLY 159 1HA GLY 159 -3.818 4.900 4.900 749 2HA GLY 159 2HA GLY 159 -4.008 4.060 4.060 750 H PHE 160 H PHE 160 -2.724 3.368 3.368 751 HA PHE 160 HA PHE 160 -4.200 0.896 0.896 752 1HB PHE 160 1HB PHE 160 -2.969 2.789 2.789 753 2HB PHE 160 2HB PHE 160 -2.011 1.317 1.317 754 HD1 PHE 160 HD1 PHE 160 -4.000 -0.783 -0.783 755 HD2 PHE 160 HD2 PHE 160 -4.200 2.903 2.903 756 HE1 PHE 160 HE1 PHE 160 -5.650 -1.761 -1.761 757 HE2 PHE 160 HE2 PHE 160 -5.856 1.929 1.929 758 HZ PHE 160 HZ PHE 160 -6.580 -0.404 -0.404 759 H SER 161 H SER 161 -2.110 -0.544 -0.544 760 HA SER 161 HA SER 161 0.263 -0.759 -0.759 761 1HB SER 161 1HB SER 161 -0.579 -1.217 -1.217 762 2HB SER 161 2HB SER 161 -2.017 -2.015 -2.015 763 HG SER 161 HG SER 161 0.345 -3.088 -3.088 764 H TYR 162 H TYR 162 1.485 -2.113 -2.113 765 HA TYR 162 HA TYR 162 0.137 -4.155 -4.155 766 1HB TYR 162 2HB TYR 162 2.854 -2.950 -2.950 767 2HB TYR 162 1HB TYR 162 1.878 -3.933 -3.933 768 HD1 TYR 162 HD2 TYR 162 -0.720 -2.289 -2.289 769 HD2 TYR 162 HD1 TYR 162 3.066 -1.281 -1.281 770 HE1 TYR 162 HE2 TYR 162 -1.696 -0.252 -0.252 771 HE2 TYR 162 HE1 TYR 162 2.100 0.761 0.761 772 HH TYR 162 HH2 TYR 162 -1.103 1.840 1.840 773 H ILE 163 H ILE 163 1.956 -5.862 -5.862 774 HA ILE 163 HA ILE 163 3.795 -6.601 -6.601 775 HB ILE 163 HB ILE 163 2.619 -8.866 -8.866 776 1HG1 ILE 163 1HG1 ILE 163 0.066 -7.377 -7.377 777 2HG1 ILE 163 2HG1 ILE 163 0.836 -7.976 -7.976 778 1HG2 ILE 163 3HG2 ILE 163 2.810 -6.669 -6.669 779 2HG2 ILE 163 2HG2 ILE 163 1.054 -6.767 -6.767 780 3HG2 ILE 163 1HG2 ILE 163 1.964 -8.125 -8.125 781 1HD1 ILE 163 1HD1 ILE 163 0.920 -10.131 -10.131 782 2HD1 ILE 163 3HD1 ILE 163 -0.654 -9.397 -9.397 783 3HD1 ILE 163 2HD1 ILE 163 -0.208 -9.890 -9.890 784 H CYS 164 H CYS 164 5.261 -8.144 -8.144 785 HA CYS 164 HA CYS 164 4.775 -9.840 -9.840 786 1HB CYS 164 1HB CYS 164 6.607 -8.677 -8.677 787 2HB CYS 164 2HB CYS 164 4.977 -8.011 -8.011 788 HG CYS 164 HG CYS 164 6.039 -5.898 -5.898 789 H ARG 165 H ARG 165 6.167 -11.503 -11.503 790 HA ARG 165 HA ARG 165 8.153 -11.693 -11.693 791 1HB ARG 165 1HB ARG 165 6.844 -13.618 -13.618 792 2HB ARG 165 2HB ARG 165 7.862 -13.479 -13.479 793 1HG ARG 165 2HG ARG 165 9.282 -13.693 -13.693 794 2HG ARG 165 1HG ARG 165 8.382 -15.122 -15.122 795 1HD ARG 165 1HD ARG 165 9.580 -14.538 -14.538 796 2HD ARG 165 2HD ARG 165 10.764 -13.839 -13.839 797 HE ARG 165 HE ARG 165 11.341 -15.954 -15.954 798 1HH1 ARG 165 1HH1 ARG 165 8.398 -16.087 -16.087 799 2HH1 ARG 165 2HH1 ARG 165 8.388 -17.815 -17.815 800 1HH2 ARG 165 2HH2 ARG 165 11.341 -18.230 -18.230 801 2HH2 ARG 165 1HH2 ARG 165 10.062 -19.035 -19.035 802 H ASP 166 H ASP 166 9.500 -9.879 -9.879 803 HA ASP 166 HA ASP 166 10.748 -9.430 -9.430 804 1HB ASP 166 1HB ASP 166 11.433 -8.524 -8.524 805 2HB ASP 166 2HB ASP 166 12.329 -8.023 -8.023 806 H GLY 167 H GLY 167 12.064 -10.774 -10.774 807 1HA GLY 167 2HA GLY 167 13.896 -12.470 -12.470 808 2HA GLY 167 1HA GLY 167 13.687 -12.435 -12.435 809 H THR 168 H THR 168 13.901 -9.394 -9.394 810 HA THR 168 HA THR 168 16.837 -9.297 -9.297 811 HB THR 168 HB THR 168 15.970 -6.987 -6.987 812 HG1 THR 168 1HG THR 168 14.210 -7.407 -7.407 813 1HG2 THR 168 1HG2 THR 168 17.458 -9.300 -9.300 814 2HG2 THR 168 3HG2 THR 168 16.354 -8.935 -8.935 815 3HG2 THR 168 2HG2 THR 168 17.481 -7.705 -7.705 816 H THR 169 H THR 169 13.934 -7.375 -7.375 817 HA THR 169 HA THR 169 15.119 -5.241 -5.241 818 HB THR 169 HB THR 169 12.679 -6.448 -6.448 819 HG1 THR 169 1HG THR 169 12.895 -5.509 -5.509 820 1HG2 THR 169 3HG2 THR 169 13.807 -4.000 -4.000 821 2HG2 THR 169 2HG2 THR 169 12.579 -3.717 -3.717 822 3HG2 THR 169 1HG2 THR 169 12.117 -4.393 -4.393 823 H ARG 170 H ARG 170 13.786 -8.090 -8.090 824 HA ARG 170 HA ARG 170 16.123 -8.368 -8.368 825 1HB ARG 170 1HB ARG 170 13.641 -7.088 -7.088 826 2HB ARG 170 2HB ARG 170 14.752 -7.979 -7.979 827 1HG ARG 170 1HG ARG 170 16.565 -6.440 -6.440 828 2HG ARG 170 2HG ARG 170 15.224 -5.438 -5.438 829 1HD ARG 170 1HD ARG 170 16.101 -4.730 -4.730 830 2HD ARG 170 2HD ARG 170 14.401 -5.192 -5.192 831 HE ARG 170 HE ARG 170 16.001 -7.415 -7.415 832 1HH1 ARG 170 1HH1 ARG 170 14.968 -4.355 -4.355 833 2HH1 ARG 170 2HH1 ARG 170 15.096 -4.864 -4.864 834 1HH2 ARG 170 1HH2 ARG 170 16.174 -8.098 -8.098 835 2HH2 ARG 170 2HH2 ARG 170 15.781 -6.992 -6.992 836 H ARG 171 H ARG 171 12.643 -9.078 -9.078 837 HA ARG 171 HA ARG 171 12.678 -11.787 -11.787 838 1HB ARG 171 1HB ARG 171 12.396 -12.690 -12.690 839 2HB ARG 171 2HB ARG 171 13.973 -11.974 -11.974 840 1HG ARG 171 2HG ARG 171 13.628 -10.656 -10.656 841 2HG ARG 171 1HG ARG 171 12.207 -9.960 -9.960 842 1HD ARG 171 1HD ARG 171 10.753 -11.333 -11.333 843 2HD ARG 171 2HD ARG 171 11.931 -12.634 -12.634 844 HE ARG 171 HE ARG 171 11.487 -10.456 -10.456 845 1HH1 ARG 171 2HH2 ARG 171 13.742 -12.869 -12.869 846 2HH1 ARG 171 1HH2 ARG 171 14.646 -12.891 -12.891 847 1HH2 ARG 171 2HH1 ARG 171 12.672 -10.478 -10.478 848 2HH2 ARG 171 1HH1 ARG 171 14.038 -11.531 -11.531 849 H TRP 172 H TRP 172 10.591 -12.233 -12.233 850 HA TRP 172 HA TRP 172 8.320 -11.347 -11.347 851 1HB TRP 172 1HB TRP 172 8.867 -12.730 -12.730 852 2HB TRP 172 2HB TRP 172 7.337 -11.867 -11.867 853 HD1 TRP 172 HD1 TRP 172 5.422 -12.959 -12.959 854 HE1 TRP 172 HE1 TRP 172 5.165 -15.191 -15.191 855 HE3 TRP 172 HE3 TRP 172 10.306 -14.463 -14.463 856 HZ2 TRP 172 2HZ TRP 172 6.814 -17.310 -17.310 857 HZ3 TRP 172 HZ3 TRP 172 10.883 -16.606 -16.606 858 HH2 TRP 172 HH2 TRP 172 9.172 -18.000 -18.000 859 H MET 173 H MET 173 8.809 -9.075 -9.075 860 HA MET 173 HA MET 173 8.829 -7.477 -7.477 861 1HB MET 173 2HB MET 173 10.556 -6.966 -6.966 862 2HB MET 173 1HB MET 173 9.400 -6.865 -6.865 863 1HG MET 173 2HG MET 173 9.099 -4.728 -4.728 864 2HG MET 173 1HG MET 173 8.652 -5.043 -5.043 865 1HE MET 173 1HE MET 173 10.611 -6.163 -6.163 866 2HE MET 173 3HE MET 173 12.209 -5.432 -5.432 867 3HE MET 173 2HE MET 173 10.790 -4.588 -4.588 868 H CYS 174 H CYS 174 7.268 -6.151 -6.151 869 HA CYS 174 HA CYS 174 4.786 -6.079 -6.079 870 1HB CYS 174 2HB CYS 174 5.452 -6.078 -6.078 871 2HB CYS 174 1HB CYS 174 4.175 -4.955 -4.955 872 HG CYS 174 HG CYS 174 3.137 -7.274 -7.274 873 H HIS 175 H HIS 175 3.552 -3.939 -3.939 874 HA HIS 175 HA HIS 175 5.298 -1.625 -1.625 875 1HB HIS 175 2HB HIS 175 3.668 -2.127 -2.127 876 2HB HIS 175 1HB HIS 175 4.691 -0.735 -0.735 877 HD1 HIS 175 HD1 HIS 175 7.124 -0.934 -0.934 878 HD2 HIS 175 HD2 HIS 175 5.126 -4.576 -4.576 879 HE1 HIS 175 HE1 HIS 175 8.713 -2.613 -2.613 880 H GLY 176 H GLY 176 4.301 -0.109 -0.109 881 1HA GLY 176 1HA GLY 176 1.362 -0.166 -0.166 882 2HA GLY 176 2HA GLY 176 2.433 0.572 0.572 883 H PHE 177 H PHE 177 0.339 1.193 1.193 884 HA PHE 177 HA PHE 177 1.674 3.703 3.703 885 1HB PHE 177 1HB PHE 177 -0.209 1.882 1.882 886 2HB PHE 177 2HB PHE 177 -0.421 3.603 3.603 887 HD1 PHE 177 HD2 PHE 177 1.425 4.917 4.917 888 HD2 PHE 177 HD1 PHE 177 1.624 0.685 0.685 889 HE1 PHE 177 HE2 PHE 177 3.263 4.861 4.861 890 HE2 PHE 177 HE1 PHE 177 3.463 0.620 0.620 891 HZ PHE 177 HZ PHE 177 4.286 2.710 2.710 892 H LEU 178 H LEU 178 0.655 5.673 5.673 893 HA LEU 178 HA LEU 178 -2.003 5.822 5.822 894 1HB LEU 178 2HB LEU 178 -0.439 5.769 5.769 895 2HB LEU 178 1HB LEU 178 0.398 7.162 7.162 896 HG LEU 178 HG LEU 178 -1.280 7.529 7.529 897 1HD1 LEU 178 2HD1 LEU 178 -0.505 9.101 9.101 898 2HD1 LEU 178 1HD1 LEU 178 -2.202 9.448 9.448 899 3HD1 LEU 178 3HD1 LEU 178 -0.998 9.637 9.637 900 1HD2 LEU 178 2HD2 LEU 178 -3.039 6.128 6.128 901 2HD2 LEU 178 1HD2 LEU 178 -3.561 7.638 7.638 902 3HD2 LEU 178 3HD2 LEU 178 -3.299 7.558 7.558 903 H ALA 179 H ALA 179 -3.025 7.054 7.054 904 HA ALA 179 HA ALA 179 -2.055 8.642 8.642 905 1HB ALA 179 3HB ALA 179 -4.592 8.823 8.823 906 2HB ALA 179 2HB ALA 179 -4.234 10.004 10.004 907 3HB ALA 179 1HB ALA 179 -4.334 8.289 8.289 908 H CYS 180 H CYS 180 -1.469 10.758 10.758 909 HA CYS 180 HA CYS 180 -0.238 12.085 12.085 910 1HB CYS 180 1HB CYS 180 0.722 12.185 12.185 911 2HB CYS 180 2HB CYS 180 -0.716 13.014 13.014 912 HG CYS 180 HG CYS 180 -0.016 15.108 15.108 913 H LYS 181 H LYS 181 -3.019 12.833 12.833 914 HA LYS 181 HA LYS 181 -3.729 15.158 15.158 915 1HB LYS 181 1HB LYS 181 -5.570 13.786 13.786 916 2HB LYS 181 2HB LYS 181 -5.445 15.498 15.498 917 1HG LYS 181 2HG LYS 181 -3.464 13.864 13.864 918 2HG LYS 181 1HG LYS 181 -4.584 15.069 15.069 919 1HD LYS 181 1HD LYS 181 -3.408 16.672 16.672 920 2HD LYS 181 2HD LYS 181 -2.124 15.462 15.462 921 1HE LYS 181 2HE LYS 181 -1.340 16.481 16.481 922 2HE LYS 181 1HE LYS 181 -2.732 15.820 15.820 923 1HZ LYS 181 1HZ LYS 181 -3.364 18.215 18.215 924 2HZ LYS 181 3HZ LYS 181 -2.139 18.461 18.461 925 3HZ LYS 181 2HZ LYS 181 -3.632 17.829 17.829 926 H ASP 182 H ASP 182 -4.480 11.780 11.780 927 HA ASP 182 HA ASP 182 -5.701 10.494 10.494 928 1HB ASP 182 1HB ASP 182 -5.017 12.851 12.851 929 2HB ASP 182 2HB ASP 182 -6.601 12.248 12.248 930 H SER 183 H SER 183 -7.277 10.459 10.459 931 HA SER 183 HA SER 183 -9.891 11.041 11.041 932 1HB SER 183 2HB SER 183 -9.296 13.315 13.315 933 2HB SER 183 1HB SER 183 -8.904 12.718 12.718 934 HG SER 183 HG SER 183 -11.418 12.913 12.913 935 H GLY 184 H GLY 184 -8.283 8.844 8.844 936 1HA GLY 184 2HA GLY 184 -8.384 7.199 7.199 937 2HA GLY 184 1HA GLY 184 -10.100 7.332 7.332 938 H GLU 185 H GLU 185 -8.147 9.823 9.823 939 HA GLU 185 HA GLU 185 -9.451 9.240 9.240 940 1HB GLU 185 2HB GLU 185 -9.630 11.698 11.698 941 2HB GLU 185 1HB GLU 185 -9.474 11.913 11.913 942 1HG GLU 185 2HG GLU 185 -11.464 10.611 10.611 943 2HG GLU 185 1HG GLU 185 -11.593 10.242 10.242 944 H ARG 186 H ARG 186 -6.888 8.507 8.507 945 HA ARG 186 HA ARG 186 -5.462 10.145 10.145 946 1HB ARG 186 1HB ARG 186 -4.751 10.038 10.038 947 2HB ARG 186 2HB ARG 186 -3.425 9.929 9.929 948 1HG ARG 186 1HG ARG 186 -3.462 12.169 12.169 949 2HG ARG 186 2HG ARG 186 -4.741 12.028 12.028 950 1HD ARG 186 2HD ARG 186 -6.268 11.767 11.767 951 2HD ARG 186 1HD ARG 186 -4.934 12.607 12.607 952 HE ARG 186 HE ARG 186 -5.436 14.135 14.135 953 1HH1 ARG 186 2HH1 ARG 186 -7.416 12.893 12.893 954 2HH1 ARG 186 1HH1 ARG 186 -8.524 14.222 14.222 955 1HH2 ARG 186 2HH2 ARG 186 -6.890 15.893 15.893 956 2HH2 ARG 186 1HH2 ARG 186 -8.225 15.930 15.930 957 H LEU 187 H LEU 187 -4.927 7.587 7.587 958 HA LEU 187 HA LEU 187 -4.028 5.853 5.853 959 1HB LEU 187 2HB LEU 187 -2.444 4.822 4.822 960 2HB LEU 187 1HB LEU 187 -1.991 6.333 6.333 961 HG LEU 187 HG LEU 187 -1.531 6.207 6.207 962 1HD1 LEU 187 1HD2 LEU 187 -2.331 8.315 8.315 963 2HD1 LEU 187 3HD2 LEU 187 -3.459 8.402 8.402 964 3HD1 LEU 187 2HD2 LEU 187 -1.722 8.434 8.434 965 1HD2 LEU 187 1HD1 LEU 187 -3.723 4.969 4.969 966 2HD2 LEU 187 3HD1 LEU 187 -3.251 6.223 6.223 967 3HD2 LEU 187 2HD1 LEU 187 -4.488 6.556 6.556 968 H SER 188 H SER 188 -6.310 6.263 6.263 969 HA SER 188 HA SER 188 -6.497 3.534 3.534 970 1HB SER 188 2HB SER 188 -8.390 5.885 5.885 971 2HB SER 188 1HB SER 188 -8.649 4.309 4.309 972 HG SER 188 HG SER 188 -7.532 5.151 5.151 973 H HIS 189 H HIS 189 -8.189 5.650 5.650 974 HA HIS 189 HA HIS 189 -9.766 3.397 3.397 975 1HB HIS 189 2HB HIS 189 -10.459 6.001 6.001 976 2HB HIS 189 1HB HIS 189 -10.056 6.031 6.031 977 HD1 HIS 189 HD1 HIS 189 -11.538 4.490 4.490 978 HD2 HIS 189 HD2 HIS 189 -12.828 4.796 4.796 979 HE1 HIS 189 HE1 HIS 189 -13.914 3.623 3.623 980 H ALA 190 H ALA 190 -6.941 5.201 5.201 981 HA ALA 190 HA ALA 190 -6.941 4.710 4.710 982 1HB ALA 190 1HB ALA 190 -5.090 5.951 5.951 983 2HB ALA 190 3HB ALA 190 -4.400 5.338 5.338 984 3HB ALA 190 2HB ALA 190 -5.677 6.555 6.555 985 H VAL 191 H VAL 191 -4.756 3.604 3.604 986 HA VAL 191 HA VAL 191 -3.369 1.695 1.695 987 HB VAL 191 HB VAL 191 -4.238 1.447 1.447 988 1HG1 VAL 191 1HG2 VAL 191 -2.076 0.126 0.126 989 2HG1 VAL 191 3HG2 VAL 191 -2.043 0.186 0.186 990 3HG1 VAL 191 2HG2 VAL 191 -3.366 -0.635 -0.635 991 1HG2 VAL 191 1HG1 VAL 191 -2.874 3.535 3.535 992 2HG2 VAL 191 3HG1 VAL 191 -2.641 2.920 2.920 993 3HG2 VAL 191 2HG1 VAL 191 -1.545 2.430 2.430 994 H GLY 192 H GLY 192 -6.447 1.265 1.265 995 1HA GLY 192 1HA GLY 192 -6.773 -1.478 -1.478 996 2HA GLY 192 2HA GLY 192 -8.080 -0.338 -0.338 997 H CYS 193 H CYS 193 -7.114 1.276 1.276 998 HA CYS 193 HA CYS 193 -8.638 -0.165 -0.165 999 1HB CYS 193 1HB CYS 193 -7.504 2.627 2.627 1000 2HB CYS 193 2HB CYS 193 -8.183 1.987 1.987 1001 HG CYS 193 HG CYS 193 -10.441 1.647 1.647 1002 H ALA 194 H ALA 194 -5.340 0.750 0.750 1003 HA ALA 194 HA ALA 194 -4.139 0.450 0.450 1004 1HB ALA 194 3HB ALA 194 -3.176 1.057 1.057 1005 2HB ALA 194 2HB ALA 194 -2.745 -0.653 -0.653 1006 3HB ALA 194 1HB ALA 194 -2.140 0.400 0.400 1007 H PHE 195 H PHE 195 -4.996 -2.021 -2.021 1008 HA PHE 195 HA PHE 195 -3.856 -4.216 -4.216 1009 1HB PHE 195 1HB PHE 195 -6.014 -3.978 -3.978 1010 2HB PHE 195 2HB PHE 195 -5.551 -5.537 -5.537 1011 HD1 PHE 195 HD1 PHE 195 -4.203 -2.575 -2.575 1012 HD2 PHE 195 HD2 PHE 195 -3.713 -6.697 -6.697 1013 HE1 PHE 195 HE1 PHE 195 -2.356 -2.717 -2.717 1014 HE2 PHE 195 HE2 PHE 195 -1.864 -6.848 -6.848 1015 HZ PHE 195 HZ PHE 195 -1.183 -4.856 -4.856 1016 H ALA 196 H ALA 196 -6.822 -2.470 -2.470 1017 HA ALA 196 HA ALA 196 -8.565 -4.192 -4.192 1018 1HB ALA 196 3HB ALA 196 -8.792 -1.680 -1.680 1019 2HB ALA 196 2HB ALA 196 -8.026 -1.522 -1.522 1020 3HB ALA 196 1HB ALA 196 -9.560 -2.377 -2.377 1021 H VAL 197 H VAL 197 -5.750 -2.765 -2.765 1022 HA VAL 197 HA VAL 197 -6.294 -3.944 -3.944 1023 HB VAL 197 HB VAL 197 -3.769 -3.445 -3.445 1024 1HG1 VAL 197 3HG1 VAL 197 -5.735 -2.197 -2.197 1025 2HG1 VAL 197 2HG1 VAL 197 -5.595 -1.110 -1.110 1026 3HG1 VAL 197 1HG1 VAL 197 -4.270 -1.243 -1.243 1027 1HG2 VAL 197 3HG2 VAL 197 -3.409 -3.169 -3.169 1028 2HG2 VAL 197 2HG2 VAL 197 -2.759 -1.893 -1.893 1029 3HG2 VAL 197 1HG2 VAL 197 -4.260 -1.630 -1.630 1030 H CYS 198 H CYS 198 -4.449 -4.876 -4.876 1031 HA CYS 198 HA CYS 198 -2.819 -6.875 -6.875 1032 1HB CYS 198 2HB CYS 198 -3.711 -6.066 -6.066 1033 2HB CYS 198 1HB CYS 198 -4.455 -7.657 -7.657 1034 HG CYS 198 HG CYS 198 -1.737 -8.275 -8.275 1035 H LEU 199 H LEU 199 -6.306 -7.165 -7.165 1036 HA LEU 199 HA LEU 199 -6.273 -9.748 -9.748 1037 1HB LEU 199 2HB LEU 199 -8.710 -9.784 -9.784 1038 2HB LEU 199 1HB LEU 199 -7.330 -10.273 -10.273 1039 HG LEU 199 HG LEU 199 -8.424 -7.471 -7.471 1040 1HD1 LEU 199 2HD2 LEU 199 -10.123 -9.315 -9.315 1041 2HD1 LEU 199 1HD2 LEU 199 -9.144 -9.632 -9.632 1042 3HD1 LEU 199 3HD2 LEU 199 -9.887 -8.048 -8.048 1043 1HD2 LEU 199 3HD1 LEU 199 -6.291 -8.948 -8.948 1044 2HD2 LEU 199 2HD1 LEU 199 -6.603 -7.212 -7.212 1045 3HD2 LEU 199 1HD1 LEU 199 -7.410 -8.221 -8.221 1046 H GLU 200 H GLU 200 -7.465 -6.499 -6.499 1047 HA GLU 200 HA GLU 200 -8.348 -5.235 -5.235 1048 1HB GLU 200 2HB GLU 200 -6.866 -6.667 -6.667 1049 2HB GLU 200 1HB GLU 200 -8.263 -7.694 -7.694 1050 1HG GLU 200 1HG GLU 200 -9.443 -5.623 -5.623 1051 2HG GLU 200 2HG GLU 200 -7.868 -4.830 -4.830 1052 H ARG 201 H ARG 201 -9.748 -8.481 -8.481 1053 HA ARG 201 HA ARG 201 -12.379 -7.275 -7.275 1054 1HB ARG 201 1HB ARG 201 -11.088 -9.719 -9.719 1055 2HB ARG 201 2HB ARG 201 -12.657 -10.049 -10.049 1056 1HG ARG 201 2HG ARG 201 -13.790 -8.771 -8.771 1057 2HG ARG 201 1HG ARG 201 -12.324 -7.921 -7.921 1058 1HD ARG 201 2HD ARG 201 -12.179 -9.379 -9.379 1059 2HD ARG 201 1HD ARG 201 -11.746 -10.589 -10.589 1060 HE ARG 201 HE ARG 201 -14.583 -10.236 -10.236 1061 1HH1 ARG 201 1HH2 ARG 201 -11.728 -11.928 -11.928 1062 2HH1 ARG 201 2HH2 ARG 201 -12.606 -13.277 -13.277 1063 1HH2 ARG 201 1HH1 ARG 201 -15.749 -12.006 -12.006 1064 2HH2 ARG 201 2HH1 ARG 201 -14.894 -13.321 -13.321 1065 H LYS 202 H LYS 202 -11.069 -7.337 -7.337 1066 HA LYS 202 HA LYS 202 -11.480 -7.944 -7.944 1067 1HB LYS 202 1HB LYS 202 -14.361 -8.161 -8.161 1068 2HB LYS 202 2HB LYS 202 -13.722 -7.629 -7.629 1069 1HG LYS 202 2HG LYS 202 -13.585 -6.150 -6.150 1070 2HG LYS 202 1HG LYS 202 -14.554 -5.731 -5.731 1071 1HD LYS 202 1HD LYS 202 -11.564 -5.945 -5.945 1072 2HD LYS 202 2HD LYS 202 -12.358 -4.457 -4.457 1073 1HE LYS 202 1HE LYS 202 -13.736 -5.158 -5.158 1074 2HE LYS 202 2HE LYS 202 -12.066 -5.577 -5.577 1075 1HZ LYS 202 1HZ LYS 202 -12.436 -3.000 -3.000 1076 2HZ LYS 202 3HZ LYS 202 -13.093 -3.131 -3.131 1077 3HZ LYS 202 2HZ LYS 202 -11.448 -3.434 -3.434 1078 H GLN 203 H GLN 203 -10.784 -10.093 -10.093 1079 HA GLN 203 HA GLN 203 -12.505 -12.291 -12.291 1080 1HB GLN 203 1HB GLN 203 -11.025 -11.740 -11.740 1081 2HB GLN 203 2HB GLN 203 -10.506 -13.275 -13.275 1082 1HG GLN 203 2HG GLN 203 -13.065 -13.734 -13.734 1083 2HG GLN 203 1HG GLN 203 -13.176 -12.474 -12.474 1084 1HE2 GLN 203 2HE2 GLN 203 -12.221 -14.529 -14.529 1085 2HE2 GLN 203 1HE2 GLN 203 -12.821 -13.003 -13.003 1086 H ARG 204 H ARG 204 -11.559 -12.002 -12.002 1087 HA ARG 204 HA ARG 204 -8.820 -12.912 -12.912 1088 1HB ARG 204 1HB ARG 204 -10.389 -11.223 -11.223 1089 2HB ARG 204 2HB ARG 204 -10.448 -12.705 -12.705 1090 1HG ARG 204 1HG ARG 204 -8.650 -11.316 -11.316 1091 2HG ARG 204 2HG ARG 204 -7.987 -12.763 -12.763 1092 1HD ARG 204 1HD ARG 204 -7.862 -11.288 -11.288 1093 2HD ARG 204 2HD ARG 204 -8.015 -9.943 -9.943 1094 HE ARG 204 HE ARG 204 -5.824 -10.242 -10.242 1095 1HH1 ARG 204 1HH2 ARG 204 -7.063 -13.256 -13.256 1096 2HH1 ARG 204 2HH2 ARG 204 -5.532 -14.061 -14.061 1097 1HH2 ARG 204 1HH1 ARG 204 -3.807 -11.296 -11.296 1098 2HH2 ARG 204 2HH1 ARG 204 -3.683 -12.949 -12.949 1099 H ARG 205 H ARG 205 -11.777 -13.915 -13.915 1100 HA ARG 205 HA ARG 205 -12.361 -15.968 -15.968 1101 1HB ARG 205 1HB ARG 205 -13.246 -15.958 -15.958 1102 2HB ARG 205 2HB ARG 205 -11.752 -16.685 -16.685 1103 1HG ARG 205 1HG ARG 205 -12.977 -18.204 -18.204 1104 2HG ARG 205 2HG ARG 205 -14.029 -18.025 -18.025 1105 1HD ARG 205 1HD ARG 205 -12.890 -19.632 -19.632 1106 2HD ARG 205 2HD ARG 205 -11.460 -18.598 -18.598 1107 HE ARG 205 HE ARG 205 -10.591 -19.952 -19.952 1108 1HH1 ARG 205 1HH1 ARG 205 -14.047 -20.376 -20.376 1109 2HH1 ARG 205 2HH1 ARG 205 -14.038 -21.656 -21.656 1110 1HH2 ARG 205 2HH2 ARG 205 -10.567 -21.634 -21.634 1111 2HH2 ARG 205 1HH2 ARG 205 -12.060 -22.371 -22.371 1112 H THR 206 H THR 206 -10.861 -16.627 -16.627 1113 HA THR 206 HA THR 206 -9.282 -18.897 -18.897 1114 HB THR 206 HB THR 206 -7.568 -17.557 -17.557 1115 HG1 THR 206 1HG THR 206 -6.897 -18.790 -18.790 1116 1HG2 THR 206 2HG2 THR 206 -8.634 -15.393 -15.393 1117 2HG2 THR 206 1HG2 THR 206 -8.029 -15.541 -15.541 1118 3HG2 THR 206 3HG2 THR 206 -6.897 -15.423 -15.423 1119 H ARG 207 H ARG 207 -9.892 -20.105 -20.105 1120 HA ARG 207 HA ARG 207 -10.451 -19.006 -19.006 1121 1HB ARG 207 1HB ARG 207 -10.083 -21.931 -21.931 1122 2HB ARG 207 2HB ARG 207 -11.050 -21.215 -21.215 1123 1HG ARG 207 2HG ARG 207 -12.611 -20.333 -20.333 1124 2HG ARG 207 1HG ARG 207 -11.625 -20.990 -20.990 1125 1HD ARG 207 2HD ARG 207 -13.025 -22.743 -22.743 1126 2HD ARG 207 1HD ARG 207 -11.997 -23.205 -23.205 1127 HE ARG 207 HE ARG 207 -14.073 -21.488 -21.488 1128 1HH1 ARG 207 2HH1 ARG 207 -13.469 -24.760 -24.760 1129 2HH1 ARG 207 1HH1 ARG 207 -14.789 -25.425 -25.425 1130 1HH2 ARG 207 1HH2 ARG 207 -15.814 -22.354 -22.354 1131 2HH2 ARG 207 2HH2 ARG 207 -16.122 -24.058 -24.058 1132 H ALA 208 H ALA 208 -9.420 -19.766 -19.766 1133 HA ALA 208 HA ALA 208 -6.647 -19.323 -19.323 1134 1HB ALA 208 2HB ALA 208 -8.459 -20.469 -20.469 1135 2HB ALA 208 1HB ALA 208 -6.757 -20.095 -20.095 1136 3HB ALA 208 3HB ALA 208 -7.887 -18.807 -18.807 1137 H ALA 209 H ALA 209 -5.458 -20.708 -20.708 1138 HA ALA 209 HA ALA 209 -4.700 -23.188 -23.188 1139 1HB ALA 209 1HB ALA 209 -6.664 -23.290 -23.290 1140 2HB ALA 209 3HB ALA 209 -5.516 -24.597 -24.597 1141 3HB ALA 209 2HB ALA 209 -6.695 -24.164 -24.164 1142 H ALA 210 H ALA 210 -5.163 -22.341 -22.341 1143 HA ALA 210 HA ALA 210 -2.236 -22.375 -22.375 1144 1HB ALA 210 2HB ALA 210 -3.691 -24.039 -24.039 1145 2HB ALA 210 1HB ALA 210 -4.224 -22.662 -22.662 1146 3HB ALA 210 3HB ALA 210 -2.521 -23.116 -23.116 1147 1H ALA 1 2HT ALA 1 -11.932 -7.503 -7.503 1148 2H ALA 1 1HT ALA 1 -12.818 -7.331 -7.331 1149 3H ALA 1 3HT ALA 1 -13.634 -7.716 -7.716 1150 HA ALA 1 HA ALA 1 -14.027 -5.489 -5.489 1151 1HB ALA 1 3HB ALA 1 -11.628 -5.562 -5.562 1152 2HB ALA 1 2HB ALA 1 -11.295 -4.512 -4.512 1153 3HB ALA 1 1HB ALA 1 -12.624 -4.135 -4.135 1154 H TYR 2 H TYR 2 -10.855 -5.921 -5.921 1155 HA TYR 2 HA TYR 2 -12.057 -5.751 -5.751 1156 1HB TYR 2 1HB TYR 2 -10.247 -3.744 -3.744 1157 2HB TYR 2 2HB TYR 2 -11.971 -3.505 -3.505 1158 HD1 TYR 2 HD1 TYR 2 -9.393 -4.408 -4.408 1159 HD2 TYR 2 HD2 TYR 2 -12.073 -1.444 -1.444 1160 HE1 TYR 2 HE1 TYR 2 -8.911 -3.021 -3.021 1161 HE2 TYR 2 HE2 TYR 2 -11.600 -0.045 -0.045 1162 HH TYR 2 HH2 TYR 2 -9.907 0.254 0.254 1163 H ILE 3 H ILE 3 -10.911 -7.885 -7.885 1164 HA ILE 3 HA ILE 3 -9.279 -9.320 -9.320 1165 HB ILE 3 HB ILE 3 -8.115 -6.863 -6.863 1166 1HG1 ILE 3 1HG1 ILE 3 -9.038 -7.966 -7.966 1167 2HG1 ILE 3 2HG1 ILE 3 -9.836 -9.135 -9.135 1168 1HG2 ILE 3 1HG2 ILE 3 -7.332 -9.762 -9.762 1169 2HG2 ILE 3 3HG2 ILE 3 -6.887 -8.561 -8.561 1170 3HG2 ILE 3 2HG2 ILE 3 -6.321 -8.390 -8.390 1171 1HD1 ILE 3 3HD1 ILE 3 -10.299 -6.201 -6.201 1172 2HD1 ILE 3 2HD1 ILE 3 -11.193 -7.149 -7.149 1173 3HD1 ILE 3 1HD1 ILE 3 -11.303 -7.552 -7.552 1174 H GLY 4 H GLY 4 -7.500 -6.289 -6.289 1175 1HA GLY 4 2HA GLY 4 -5.191 -7.230 -7.230 1176 2HA GLY 4 1HA GLY 4 -5.975 -5.808 -5.808 1177 HA PRO 5 HA PRO 5 -6.729 -7.910 -7.910 1178 1HB PRO 5 1HB PRO 5 -9.276 -7.398 -7.398 1179 2HB PRO 5 2HB PRO 5 -8.066 -6.113 -6.113 1180 1HG PRO 5 1HG PRO 5 -10.134 -6.918 -6.918 1181 2HG PRO 5 2HG PRO 5 -9.685 -5.297 -5.297 1182 1HD PRO 5 2HD PRO 5 -8.759 -6.357 -6.357 1183 2HD PRO 5 1HD PRO 5 -7.828 -5.201 -5.201 1184 1HN PTR 6 H PTR 6 -8.907 -8.784 -8.784 1185 HA PTR 6 HA PTR 6 -8.808 -11.541 -11.541 1186 1HB PTR 6 1HB PTR 6 -11.524 -10.255 -10.255 1187 2HB PTR 6 2HB PTR 6 -10.481 -10.659 -10.659 1188 HD1 PTR 6 HD1 PTR 6 -10.763 -12.716 -12.716 1189 HD2 PTR 6 HD2 PTR 6 -12.160 -12.194 -12.194 1190 HE1 PTR 6 HE1 PTR 6 -11.356 -15.106 -15.106 1191 HE2 PTR 6 HE2 PTR 6 -13.158 -14.442 -14.442 1192 H LEU 7 H LEU 7 -9.697 -12.885 -12.885 1193 HA LEU 7 HA LEU 7 -10.302 -11.483 -11.483 1194 1HB LEU 7 2HB LEU 7 -9.538 -14.377 -14.377 1195 2HB LEU 7 1HB LEU 7 -9.417 -13.325 -13.325 1196 HG LEU 7 HG LEU 7 -7.213 -13.444 -13.444 1197 1HD1 LEU 7 1HD1 LEU 7 -8.356 -11.048 -11.048 1198 2HD1 LEU 7 3HD1 LEU 7 -7.503 -11.394 -11.394 1199 3HD1 LEU 7 2HD1 LEU 7 -6.619 -11.357 -11.357 1200 1HD2 LEU 7 3HD2 LEU 7 -7.850 -14.866 -14.866 1201 2HD2 LEU 7 2HD2 LEU 7 -6.333 -13.969 -13.969 1202 3HD2 LEU 7 1HD2 LEU 7 -7.749 -13.359 -13.359 Start of MODEL 14 1 HA SER 64 HA SER 64 -17.010 9.804 9.804 2 1HB SER 64 1HB SER 64 -17.662 10.791 10.791 3 2HB SER 64 2HB SER 64 -18.967 10.595 10.595 4 HG SER 64 HG SER 64 -18.481 8.435 8.435 5 H LYS 65 H LYS 65 -15.961 11.705 11.705 6 HA LYS 65 HA LYS 65 -18.087 13.615 13.615 7 1HB LYS 65 2HB LYS 65 -15.298 14.508 14.508 8 2HB LYS 65 1HB LYS 65 -16.516 15.560 15.560 9 1HG LYS 65 1HG LYS 65 -17.943 14.715 14.715 10 2HG LYS 65 2HG LYS 65 -16.346 14.418 14.418 11 1HD LYS 65 1HD LYS 65 -16.074 16.927 16.927 12 2HD LYS 65 2HD LYS 65 -17.738 16.939 16.939 13 1HE LYS 65 2HE LYS 65 -17.021 17.204 17.204 14 2HE LYS 65 1HE LYS 65 -16.092 15.710 15.710 15 1HZ LYS 65 2HZ LYS 65 -15.119 18.352 18.352 16 2HZ LYS 65 1HZ LYS 65 -14.742 17.679 17.679 17 3HZ LYS 65 3HZ LYS 65 -14.230 16.916 16.916 18 HA PRO 66 HA PRO 66 -16.545 12.991 12.991 19 1HB PRO 66 1HB PRO 66 -18.133 14.662 14.662 20 2HB PRO 66 2HB PRO 66 -18.803 13.262 13.262 21 1HG PRO 66 2HG PRO 66 -18.742 16.136 16.136 22 2HG PRO 66 1HG PRO 66 -20.061 14.959 14.959 23 1HD PRO 66 1HD PRO 66 -18.325 15.635 15.635 24 2HD PRO 66 2HD PRO 66 -19.254 14.125 14.125 25 H HIS 67 H HIS 67 -14.883 14.744 14.744 26 HA HIS 67 HA HIS 67 -13.933 16.499 16.499 27 1HB HIS 67 2HB HIS 67 -15.299 17.789 17.789 28 2HB HIS 67 1HB HIS 67 -14.008 17.426 17.426 29 HD1 HIS 67 HD1 HIS 67 -12.543 18.010 18.010 30 HD2 HIS 67 HD2 HIS 67 -13.898 20.370 20.370 31 HE1 HIS 67 HE1 HIS 67 -11.503 20.291 20.291 32 H GLN 68 H GLN 68 -13.108 15.638 15.638 33 HA GLN 68 HA GLN 68 -10.303 15.464 15.464 34 1HB GLN 68 1HB GLN 68 -11.801 14.789 14.789 35 2HB GLN 68 2HB GLN 68 -10.051 14.768 14.768 36 1HG GLN 68 2HG GLN 68 -10.098 17.169 17.169 37 2HG GLN 68 1HG GLN 68 -11.844 17.169 17.169 38 1HE2 GLN 68 1HE2 GLN 68 -9.970 18.269 18.269 39 2HE2 GLN 68 2HE2 GLN 68 -9.870 18.713 18.713 40 H TRP 69 H TRP 69 -12.736 13.167 13.167 41 HA TRP 69 HA TRP 69 -11.187 10.848 10.848 42 1HB TRP 69 2HB TRP 69 -14.071 11.450 11.450 43 2HB TRP 69 1HB TRP 69 -13.685 9.887 9.887 44 HD1 TRP 69 HD1 TRP 69 -11.330 11.321 11.321 45 HE1 TRP 69 HE1 TRP 69 -11.472 9.872 9.872 46 HE3 TRP 69 HE3 TRP 69 -15.304 8.377 8.377 47 HZ2 TRP 69 2HZ TRP 69 -13.064 7.760 7.760 48 HZ3 TRP 69 HZ3 TRP 69 -16.073 6.666 6.666 49 HH2 TRP 69 HH2 TRP 69 -14.976 6.366 6.366 50 H GLN 70 H GLN 70 -13.319 12.617 12.617 51 HA GLN 70 HA GLN 70 -13.510 10.824 10.824 52 1HB GLN 70 1HB GLN 70 -14.840 12.778 12.778 53 2HB GLN 70 2HB GLN 70 -13.450 13.834 13.834 54 1HG GLN 70 1HG GLN 70 -14.300 13.941 13.941 55 2HG GLN 70 2HG GLN 70 -12.676 13.259 13.259 56 1HE2 GLN 70 2HE2 GLN 70 -13.755 10.674 10.674 57 2HE2 GLN 70 1HE2 GLN 70 -12.636 11.954 11.954 58 H ALA 71 H ALA 71 -10.809 12.663 12.663 59 HA ALA 71 HA ALA 71 -9.242 11.829 11.829 60 1HB ALA 71 3HB ALA 71 -8.998 14.221 14.221 61 2HB ALA 71 2HB ALA 71 -7.651 13.668 13.668 62 3HB ALA 71 1HB ALA 71 -9.162 14.166 14.166 63 H ASP 72 H ASP 72 -9.905 10.362 10.362 64 HA ASP 72 HA ASP 72 -7.129 9.741 9.741 65 1HB ASP 72 2HB ASP 72 -9.086 10.882 10.882 66 2HB ASP 72 1HB ASP 72 -8.901 9.205 9.205 67 H GLU 73 H GLU 73 -10.500 8.600 8.600 68 HA GLU 73 HA GLU 73 -10.113 5.950 5.950 69 1HB GLU 73 1HB GLU 73 -12.314 7.116 7.116 70 2HB GLU 73 2HB GLU 73 -12.061 6.948 6.948 71 1HG GLU 73 1HG GLU 73 -11.688 4.393 4.393 72 2HG GLU 73 2HG GLU 73 -13.119 5.063 5.063 73 H GLU 74 H GLU 74 -9.675 7.561 7.561 74 HA GLU 74 HA GLU 74 -9.101 5.113 5.113 75 1HB GLU 74 1HB GLU 74 -10.120 7.213 7.213 76 2HB GLU 74 2HB GLU 74 -8.515 7.924 7.924 77 1HG GLU 74 1HG GLU 74 -7.649 6.482 6.482 78 2HG GLU 74 2HG GLU 74 -8.951 5.312 5.312 79 H ALA 75 H ALA 75 -7.329 7.515 7.515 80 HA ALA 75 HA ALA 75 -4.783 7.305 7.305 81 1HB ALA 75 3HB ALA 75 -5.937 8.397 8.397 82 2HB ALA 75 2HB ALA 75 -4.616 7.368 7.368 83 3HB ALA 75 1HB ALA 75 -4.306 8.655 8.655 84 H VAL 76 H VAL 76 -5.898 5.504 5.504 85 HA VAL 76 HA VAL 76 -3.810 3.724 3.724 86 HB VAL 76 HB VAL 76 -5.574 2.168 2.168 87 1HG1 VAL 76 3HG2 VAL 76 -5.072 4.941 4.941 88 2HG1 VAL 76 2HG2 VAL 76 -5.811 3.656 3.656 89 3HG1 VAL 76 1HG2 VAL 76 -4.162 3.474 3.474 90 1HG2 VAL 76 1HG1 VAL 76 -7.346 3.715 3.715 91 2HG2 VAL 76 3HG1 VAL 76 -7.743 2.723 2.723 92 3HG2 VAL 76 2HG1 VAL 76 -7.400 4.440 4.440 93 H ARG 77 H ARG 77 -6.578 3.694 3.694 94 HA ARG 77 HA ARG 77 -6.372 1.015 1.015 95 1HB ARG 77 1HB ARG 77 -8.038 3.229 3.229 96 2HB ARG 77 2HB ARG 77 -7.367 2.763 2.763 97 1HG ARG 77 1HG ARG 77 -8.717 0.843 0.843 98 2HG ARG 77 2HG ARG 77 -9.542 1.688 1.688 99 1HD ARG 77 1HD ARG 77 -7.166 0.486 0.486 100 2HD ARG 77 2HD ARG 77 -8.071 -0.725 -0.725 101 HE ARG 77 HE ARG 77 -9.877 0.612 0.612 102 1HH1 ARG 77 2HH2 ARG 77 -7.093 -1.455 -1.455 103 2HH1 ARG 77 1HH2 ARG 77 -7.611 -2.135 -2.135 104 1HH2 ARG 77 2HH1 ARG 77 -10.568 -0.277 -0.277 105 2HH2 ARG 77 1HH1 ARG 77 -9.586 -1.466 -1.466 106 H SER 78 H SER 78 -5.129 4.065 4.065 107 HA SER 78 HA SER 78 -3.563 2.574 2.574 108 1HB SER 78 1HB SER 78 -4.412 5.415 5.415 109 2HB SER 78 2HB SER 78 -2.903 5.104 5.104 110 HG SER 78 HG SER 78 -4.306 4.900 4.900 111 H ALA 79 H ALA 79 -3.019 2.693 2.693 112 HA ALA 79 HA ALA 79 -1.261 2.934 2.934 113 1HB ALA 79 3HB ALA 79 -0.441 1.209 1.209 114 2HB ALA 79 2HB ALA 79 0.365 2.484 2.484 115 3HB ALA 79 1HB ALA 79 0.852 2.147 2.147 116 H THR 80 H THR 80 -1.600 5.151 5.151 117 HA THR 80 HA THR 80 0.639 6.799 6.799 118 HB THR 80 HB THR 80 -0.041 7.180 7.180 119 HG1 THR 80 1HG THR 80 -1.105 9.319 9.319 120 1HG2 THR 80 1HG2 THR 80 -2.339 6.319 6.319 121 2HG2 THR 80 3HG2 THR 80 -2.814 7.822 7.822 122 3HG2 THR 80 2HG2 THR 80 -2.233 7.848 7.848 123 H CYS 81 H CYS 81 -0.878 5.980 5.980 124 HA CYS 81 HA CYS 81 -2.238 8.453 8.453 125 1HB CYS 81 2HB CYS 81 -3.087 5.800 5.800 126 2HB CYS 81 1HB CYS 81 -2.560 6.204 6.204 127 HG CYS 81 HG CYS 81 -4.327 8.101 8.101 128 H SER 82 H SER 82 -1.952 9.072 9.072 129 HA SER 82 HA SER 82 0.030 8.070 8.070 130 1HB SER 82 2HB SER 82 1.839 9.731 9.731 131 2HB SER 82 1HB SER 82 1.624 8.713 8.713 132 HG SER 82 HG SER 82 1.000 10.394 10.394 133 H PHE 83 H PHE 83 0.402 9.387 9.387 134 HA PHE 83 HA PHE 83 -0.830 11.956 11.956 135 1HB PHE 83 1HB PHE 83 -2.221 9.518 9.518 136 2HB PHE 83 2HB PHE 83 -2.420 11.092 11.092 137 HD1 PHE 83 HD2 PHE 83 -3.319 12.998 12.998 138 HD2 PHE 83 HD1 PHE 83 -3.465 8.935 8.935 139 HE1 PHE 83 HE2 PHE 83 -5.088 13.564 13.564 140 HE2 PHE 83 HE1 PHE 83 -5.233 9.493 9.493 141 HZ PHE 83 HZ PHE 83 -6.047 11.810 11.810 142 H SER 84 H SER 84 -0.139 13.036 13.036 143 HA SER 84 HA SER 84 2.184 12.255 12.255 144 1HB SER 84 2HB SER 84 1.093 14.574 14.574 145 2HB SER 84 1HB SER 84 0.142 14.049 14.049 146 HG SER 84 HG SER 84 2.462 15.121 15.121 147 H VAL 85 H VAL 85 2.637 11.439 11.439 148 HA VAL 85 HA VAL 85 0.397 10.249 10.249 149 HB VAL 85 HB VAL 85 2.731 8.471 8.471 150 1HG1 VAL 85 2HG1 VAL 85 -0.041 8.254 8.254 151 2HG1 VAL 85 1HG1 VAL 85 0.557 6.910 6.910 152 3HG1 VAL 85 3HG1 VAL 85 1.411 7.382 7.382 153 1HG2 VAL 85 2HG2 VAL 85 0.602 9.115 9.115 154 2HG2 VAL 85 1HG2 VAL 85 2.331 8.867 8.867 155 3HG2 VAL 85 3HG2 VAL 85 1.277 7.490 7.490 156 H LYS 86 H LYS 86 1.120 9.174 9.174 157 HA LYS 86 HA LYS 86 3.488 10.487 10.487 158 1HB LYS 86 2HB LYS 86 0.707 10.214 10.214 159 2HB LYS 86 1HB LYS 86 2.016 10.062 10.062 160 1HG LYS 86 1HG LYS 86 2.205 12.361 12.361 161 2HG LYS 86 2HG LYS 86 0.859 12.392 12.392 162 1HD LYS 86 2HD LYS 86 2.540 11.877 11.877 163 2HD LYS 86 1HD LYS 86 3.800 12.183 12.183 164 1HE LYS 86 1HE LYS 86 2.896 14.444 14.444 165 2HE LYS 86 2HE LYS 86 1.681 14.132 14.132 166 1HZ LYS 86 1HZ LYS 86 4.564 13.875 13.875 167 2HZ LYS 86 3HZ LYS 86 3.784 15.375 15.375 168 3HZ LYS 86 2HZ LYS 86 3.280 14.099 14.099 169 H TYR 87 H TYR 87 3.815 8.123 8.123 170 HA TYR 87 HA TYR 87 3.340 5.715 5.715 171 1HB TYR 87 1HB TYR 87 5.144 6.692 6.692 172 2HB TYR 87 2HB TYR 87 6.207 6.081 6.081 173 HD1 TYR 87 HD2 TYR 87 6.169 3.681 3.681 174 HD2 TYR 87 HD1 TYR 87 3.937 5.212 5.212 175 HE1 TYR 87 HE2 TYR 87 5.935 1.403 1.403 176 HE2 TYR 87 HE1 TYR 87 3.697 2.939 2.939 177 HH TYR 87 HH2 TYR 87 4.656 0.793 0.793 178 H LEU 88 H LEU 88 4.270 4.319 4.319 179 HA LEU 88 HA LEU 88 5.503 5.709 5.709 180 1HB LEU 88 2HB LEU 88 3.835 3.210 3.210 181 2HB LEU 88 1HB LEU 88 4.741 3.635 3.635 182 HG LEU 88 HG LEU 88 2.645 5.422 5.422 183 1HD1 LEU 88 3HD1 LEU 88 1.628 3.319 3.319 184 2HD1 LEU 88 2HD1 LEU 88 2.370 3.470 3.470 185 3HD1 LEU 88 1HD1 LEU 88 1.150 4.635 4.635 186 1HD2 LEU 88 1HD2 LEU 88 4.491 5.609 5.609 187 2HD2 LEU 88 3HD2 LEU 88 3.655 6.879 6.879 188 3HD2 LEU 88 2HD2 LEU 88 2.815 6.002 6.002 189 H GLY 89 H GLY 89 5.718 2.860 2.860 190 1HA GLY 89 2HA GLY 89 8.134 2.363 2.363 191 2HA GLY 89 1HA GLY 89 8.371 2.286 2.286 192 H CYS 90 H CYS 90 9.106 0.132 0.132 193 HA CYS 90 HA CYS 90 6.897 -1.785 -1.785 194 1HB CYS 90 1HB CYS 90 8.458 -3.322 -3.322 195 2HB CYS 90 2HB CYS 90 7.946 -1.894 -1.894 196 HG CYS 90 HG CYS 90 10.768 -2.062 -2.062 197 H VAL 91 H VAL 91 7.023 -3.607 -3.607 198 HA VAL 91 HA VAL 91 9.313 -3.756 -3.756 199 HB VAL 91 HB VAL 91 6.777 -2.929 -2.929 200 1HG1 VAL 91 1HG2 VAL 91 6.091 -5.388 -5.388 201 2HG1 VAL 91 3HG2 VAL 91 7.044 -5.618 -5.618 202 3HG1 VAL 91 2HG2 VAL 91 5.672 -4.510 -4.510 203 1HG2 VAL 91 1HG1 VAL 91 9.294 -3.541 -3.541 204 2HG2 VAL 91 3HG1 VAL 91 8.152 -2.238 -2.238 205 3HG2 VAL 91 2HG1 VAL 91 7.938 -3.808 -3.808 206 H GLU 92 H GLU 92 9.105 -5.961 -5.961 207 HA GLU 92 HA GLU 92 8.990 -8.036 -8.036 208 1HB GLU 92 2HB GLU 92 10.319 -9.382 -9.382 209 2HB GLU 92 1HB GLU 92 11.049 -7.789 -7.789 210 1HG GLU 92 2HG GLU 92 9.409 -7.470 -7.470 211 2HG GLU 92 1HG GLU 92 9.955 -9.138 -9.138 212 H VAL 93 H VAL 93 7.793 -9.936 -9.936 213 HA VAL 93 HA VAL 93 6.033 -10.199 -10.199 214 HB VAL 93 HB VAL 93 4.054 -10.599 -10.599 215 1HG1 VAL 93 3HG1 VAL 93 4.432 -8.522 -8.522 216 2HG1 VAL 93 2HG1 VAL 93 5.144 -7.792 -7.792 217 3HG1 VAL 93 1HG1 VAL 93 3.450 -8.287 -8.287 218 1HG2 VAL 93 1HG2 VAL 93 5.556 -10.789 -10.789 219 2HG2 VAL 93 3HG2 VAL 93 4.040 -9.902 -9.902 220 3HG2 VAL 93 2HG2 VAL 93 5.561 -9.026 -9.026 221 H PHE 94 H PHE 94 4.763 -12.273 -12.273 222 HA PHE 94 HA PHE 94 6.546 -14.378 -14.378 223 1HB PHE 94 2HB PHE 94 4.695 -14.054 -14.054 224 2HB PHE 94 1HB PHE 94 4.427 -15.573 -15.573 225 HD1 PHE 94 HD1 PHE 94 7.565 -13.691 -13.691 226 HD2 PHE 94 HD2 PHE 94 5.312 -17.243 -17.243 227 HE1 PHE 94 HE1 PHE 94 9.481 -14.689 -14.689 228 HE2 PHE 94 HE2 PHE 94 7.223 -18.248 -18.248 229 HZ PHE 94 HZ PHE 94 9.312 -16.970 -16.970 230 H GLU 95 H GLU 95 4.590 -12.799 -12.799 231 HA GLU 95 HA GLU 95 3.783 -14.982 -14.982 232 1HB GLU 95 1HB GLU 95 1.717 -13.581 -13.581 233 2HB GLU 95 2HB GLU 95 1.295 -14.199 -14.199 234 1HG GLU 95 1HG GLU 95 2.496 -16.365 -16.365 235 2HG GLU 95 2HG GLU 95 1.839 -15.633 -15.633 236 H SER 96 H SER 96 3.073 -14.331 -14.331 237 HA SER 96 HA SER 96 3.163 -11.435 -11.435 238 1HB SER 96 1HB SER 96 4.330 -11.852 -11.852 239 2HB SER 96 2HB SER 96 5.259 -12.498 -12.498 240 HG SER 96 HG SER 96 4.219 -14.559 -14.559 241 H ARG 97 H ARG 97 0.987 -13.534 -13.534 242 HA ARG 97 HA ARG 97 -0.631 -12.622 -12.622 243 1HB ARG 97 2HB ARG 97 -1.390 -15.161 -15.161 244 2HB ARG 97 1HB ARG 97 -0.087 -14.505 -14.505 245 1HG ARG 97 2HG ARG 97 1.501 -15.350 -15.350 246 2HG ARG 97 1HG ARG 97 0.127 -16.202 -16.202 247 1HD ARG 97 2HD ARG 97 0.346 -16.643 -16.643 248 2HD ARG 97 1HD ARG 97 1.800 -17.141 -17.141 249 HE ARG 97 HE ARG 97 -0.238 -18.210 -18.210 250 1HH1 ARG 97 1HH1 ARG 97 0.082 -19.954 -19.954 251 2HH1 ARG 97 2HH1 ARG 97 0.716 -18.362 -18.362 252 1HH2 ARG 97 1HH2 ARG 97 -1.077 -20.308 -20.308 253 2HH2 ARG 97 2HH2 ARG 97 -0.938 -21.061 -21.061 254 H GLY 98 H GLY 98 -1.483 -11.560 -11.560 255 1HA GLY 98 1HA GLY 98 -3.781 -12.996 -12.996 256 2HA GLY 98 2HA GLY 98 -2.577 -12.744 -12.744 257 H MET 99 H MET 99 -5.323 -11.514 -11.514 258 HA MET 99 HA MET 99 -4.920 -8.763 -8.763 259 1HB MET 99 2HB MET 99 -7.009 -10.177 -10.177 260 2HB MET 99 1HB MET 99 -7.452 -9.956 -9.956 261 1HG MET 99 1HG MET 99 -6.725 -7.540 -7.540 262 2HG MET 99 2HG MET 99 -8.264 -8.318 -8.318 263 1HE MET 99 1HE MET 99 -7.442 -5.372 -5.372 264 2HE MET 99 3HE MET 99 -7.859 -5.136 -5.136 265 3HE MET 99 2HE MET 99 -6.358 -5.959 -5.959 266 H GLN 100 H GLN 100 -5.156 -10.869 -10.869 267 HA GLN 100 HA GLN 100 -5.643 -8.752 -8.752 268 1HB GLN 100 2HB GLN 100 -5.557 -11.650 -11.650 269 2HB GLN 100 1HB GLN 100 -4.684 -10.971 -10.971 270 1HG GLN 100 2HG GLN 100 -7.082 -9.524 -9.524 271 2HG GLN 100 1HG GLN 100 -7.500 -11.226 -11.226 272 1HE2 GLN 100 1HE2 GLN 100 -5.631 -10.125 -10.125 273 2HE2 GLN 100 2HE2 GLN 100 -5.182 -9.400 -9.400 274 H VAL 101 H VAL 101 -2.887 -10.364 -10.364 275 HA VAL 101 HA VAL 101 -0.959 -9.727 -9.727 276 HB VAL 101 HB VAL 101 -0.551 -10.006 -10.006 277 1HG1 VAL 101 1HG1 VAL 101 1.378 -10.104 -10.104 278 2HG1 VAL 101 3HG1 VAL 101 1.769 -10.629 -10.629 279 3HG1 VAL 101 2HG1 VAL 101 1.354 -8.943 -8.943 280 1HG2 VAL 101 2HG2 VAL 101 -1.549 -11.917 -11.917 281 2HG2 VAL 101 1HG2 VAL 101 -0.564 -12.247 -12.247 282 3HG2 VAL 101 3HG2 VAL 101 0.183 -12.209 -12.209 283 H CYS 102 H CYS 102 -1.956 -8.004 -8.004 284 HA CYS 102 HA CYS 102 -0.191 -5.836 -5.836 285 1HB CYS 102 2HB CYS 102 -2.760 -6.318 -6.318 286 2HB CYS 102 1HB CYS 102 -2.176 -4.662 -4.662 287 HG CYS 102 HG CYS 102 0.034 -6.342 -6.342 288 H GLU 103 H GLU 103 -3.392 -6.429 -6.429 289 HA GLU 103 HA GLU 103 -3.917 -3.865 -3.865 290 1HB GLU 103 2HB GLU 103 -4.832 -6.621 -6.621 291 2HB GLU 103 1HB GLU 103 -5.229 -5.287 -5.287 292 1HG GLU 103 2HG GLU 103 -6.548 -4.229 -4.229 293 2HG GLU 103 1HG GLU 103 -5.824 -5.129 -5.129 294 H GLU 104 H GLU 104 -2.182 -6.601 -6.601 295 HA GLU 104 HA GLU 104 -1.620 -5.197 -5.197 296 1HB GLU 104 1HB GLU 104 -0.246 -7.163 -7.163 297 2HB GLU 104 2HB GLU 104 -1.859 -7.626 -7.626 298 1HG GLU 104 1HG GLU 104 -1.075 -8.365 -8.365 299 2HG GLU 104 2HG GLU 104 0.490 -7.587 -7.587 300 H ALA 105 H ALA 105 0.024 -5.893 -5.893 301 HA ALA 105 HA ALA 105 2.628 -5.180 -5.180 302 1HB ALA 105 2HB ALA 105 1.761 -6.173 -6.173 303 2HB ALA 105 1HB ALA 105 1.384 -4.517 -4.517 304 3HB ALA 105 3HB ALA 105 3.051 -4.976 -4.976 305 H LEU 106 H LEU 106 0.061 -3.119 -3.119 306 HA LEU 106 HA LEU 106 1.342 -0.706 -0.706 307 1HB LEU 106 1HB LEU 106 -1.324 -1.621 -1.621 308 2HB LEU 106 2HB LEU 106 -1.281 -0.298 -0.298 309 HG LEU 106 HG LEU 106 -1.826 0.707 0.707 310 1HD1 LEU 106 3HD1 LEU 106 0.397 1.464 1.464 311 2HD1 LEU 106 2HD1 LEU 106 1.069 1.167 1.167 312 3HD1 LEU 106 1HD1 LEU 106 -0.253 2.318 2.318 313 1HD2 LEU 106 1HD2 LEU 106 0.289 -1.058 -1.058 314 2HD2 LEU 106 3HD2 LEU 106 -1.444 -1.050 -1.050 315 3HD2 LEU 106 2HD2 LEU 106 -0.438 0.302 0.302 316 H LYS 107 H LYS 107 -0.248 -2.135 -2.135 317 HA LYS 107 HA LYS 107 0.162 -0.026 -0.026 318 1HB LYS 107 1HB LYS 107 -1.324 -1.795 -1.795 319 2HB LYS 107 2HB LYS 107 -0.063 -3.006 -3.006 320 1HG LYS 107 2HG LYS 107 0.439 -0.877 -0.877 321 2HG LYS 107 1HG LYS 107 -0.841 -2.032 -2.032 322 1HD LYS 107 2HD LYS 107 1.388 -3.478 -3.478 323 2HD LYS 107 1HD LYS 107 1.970 -2.365 -2.365 324 1HE LYS 107 2HE LYS 107 -0.012 -3.236 -3.236 325 2HE LYS 107 1HE LYS 107 -0.048 -4.567 -4.567 326 1HZ LYS 107 2HZ LYS 107 2.539 -4.517 -4.517 327 2HZ LYS 107 1HZ LYS 107 1.884 -3.977 -3.977 328 3HZ LYS 107 3HZ LYS 107 1.405 -5.466 -5.466 329 H VAL 108 H VAL 108 2.218 -2.777 -2.777 330 HA VAL 108 HA VAL 108 4.257 -2.387 -2.387 331 HB VAL 108 HB VAL 108 4.639 -3.371 -3.371 332 1HG1 VAL 108 1HG1 VAL 108 6.196 -3.730 -3.730 333 2HG1 VAL 108 3HG1 VAL 108 6.420 -4.757 -4.757 334 3HG1 VAL 108 2HG1 VAL 108 6.744 -3.026 -3.026 335 1HG2 VAL 108 2HG2 VAL 108 3.161 -4.523 -4.523 336 2HG2 VAL 108 1HG2 VAL 108 3.192 -4.987 -4.987 337 3HG2 VAL 108 3HG2 VAL 108 4.432 -5.588 -5.588 338 H LEU 109 H LEU 109 3.905 -1.104 -1.104 339 HA LEU 109 HA LEU 109 6.299 0.265 0.265 340 1HB LEU 109 1HB LEU 109 3.561 0.838 0.838 341 2HB LEU 109 2HB LEU 109 4.936 1.856 1.856 342 HG LEU 109 HG LEU 109 4.782 0.387 0.387 343 1HD1 LEU 109 2HD2 LEU 109 7.053 0.544 0.544 344 2HD1 LEU 109 1HD2 LEU 109 6.729 -1.053 -1.053 345 3HD1 LEU 109 3HD2 LEU 109 6.800 -0.836 -0.836 346 1HD2 LEU 109 3HD1 LEU 109 3.209 -1.166 -1.166 347 2HD2 LEU 109 2HD1 LEU 109 4.201 -1.855 -1.855 348 3HD2 LEU 109 1HD1 LEU 109 4.683 -2.048 -2.048 349 H ARG 110 H ARG 110 3.550 0.975 0.975 350 HA ARG 110 HA ARG 110 4.360 3.729 3.729 351 1HB ARG 110 2HB ARG 110 1.919 2.463 2.463 352 2HB ARG 110 1HB ARG 110 2.269 2.613 2.613 353 1HG ARG 110 1HG ARG 110 2.120 4.880 4.880 354 2HG ARG 110 2HG ARG 110 2.663 5.011 5.011 355 1HD ARG 110 1HD ARG 110 0.189 3.590 3.590 356 2HD ARG 110 2HD ARG 110 0.020 5.080 5.080 357 HE ARG 110 HE ARG 110 0.374 4.832 4.832 358 1HH1 ARG 110 1HH1 ARG 110 0.697 6.915 6.915 359 2HH1 ARG 110 2HH1 ARG 110 0.622 8.376 8.376 360 1HH2 ARG 110 1HH2 ARG 110 0.275 6.752 6.752 361 2HH2 ARG 110 2HH2 ARG 110 0.382 8.284 8.284 362 H GLN 111 H GLN 111 3.696 0.900 0.900 363 HA GLN 111 HA GLN 111 4.766 1.895 1.895 364 1HB GLN 111 2HB GLN 111 4.927 -0.396 -0.396 365 2HB GLN 111 1HB GLN 111 3.460 -0.202 -0.202 366 1HG GLN 111 2HG GLN 111 4.066 -1.888 -1.888 367 2HG GLN 111 1HG GLN 111 5.503 -0.995 -0.995 368 1HE2 GLN 111 2HE2 GLN 111 6.181 -4.339 -4.339 369 2HE2 GLN 111 1HE2 GLN 111 4.943 -3.889 -3.889 370 H SER 112 H SER 112 6.400 0.542 0.542 371 HA SER 112 HA SER 112 8.953 0.386 0.386 372 1HB SER 112 1HB SER 112 7.841 -0.793 -0.793 373 2HB SER 112 2HB SER 112 9.150 0.229 0.229 374 HG SER 112 HG SER 112 9.302 -2.137 -2.137 375 H ARG 113 H ARG 113 10.764 1.288 1.288 376 HA ARG 113 HA ARG 113 10.281 4.182 4.182 377 1HB ARG 113 2HB ARG 113 12.832 4.195 4.195 378 2HB ARG 113 1HB ARG 113 12.291 3.875 3.875 379 1HG ARG 113 2HG ARG 113 14.065 2.365 2.365 380 2HG ARG 113 1HG ARG 113 12.561 1.462 1.462 381 1HD ARG 113 2HD ARG 113 12.597 0.787 0.787 382 2HD ARG 113 1HD ARG 113 13.004 2.399 2.399 383 HE ARG 113 HE ARG 113 15.217 1.803 1.803 384 1HH1 ARG 113 1HH1 ARG 113 13.408 -0.572 -0.572 385 2HH1 ARG 113 2HH1 ARG 113 14.728 -1.687 -1.687 386 1HH2 ARG 113 1HH2 ARG 113 16.963 0.342 0.342 387 2HH2 ARG 113 2HH2 ARG 113 16.750 -1.168 -1.168 388 H ARG 114 H ARG 114 9.242 2.263 2.263 389 HA ARG 114 HA ARG 114 10.658 2.504 2.504 390 1HB ARG 114 2HB ARG 114 7.754 1.953 1.953 391 2HB ARG 114 1HB ARG 114 8.415 1.911 1.911 392 1HG ARG 114 2HG ARG 114 9.538 0.240 0.240 393 2HG ARG 114 1HG ARG 114 8.199 -0.307 -0.307 394 1HD ARG 114 1HD ARG 114 9.517 -0.633 -0.633 395 2HD ARG 114 2HD ARG 114 10.548 0.748 0.748 396 HE ARG 114 HE ARG 114 10.984 -1.296 -1.296 397 1HH1 ARG 114 1HH1 ARG 114 11.581 -0.518 -0.518 398 2HH1 ARG 114 2HH1 ARG 114 13.017 -1.482 -1.482 399 1HH2 ARG 114 2HH2 ARG 114 12.871 -2.569 -2.569 400 2HH2 ARG 114 1HH2 ARG 114 13.749 -2.648 -2.648 401 H ARG 115 H ARG 115 11.226 4.792 4.792 402 HA ARG 115 HA ARG 115 9.603 6.961 6.961 403 1HB ARG 115 1HB ARG 115 11.299 8.197 8.197 404 2HB ARG 115 2HB ARG 115 12.111 6.939 6.939 405 1HG ARG 115 2HG ARG 115 11.677 5.756 5.756 406 2HG ARG 115 1HG ARG 115 12.079 7.426 7.426 407 1HD ARG 115 2HD ARG 115 14.186 6.580 6.580 408 2HD ARG 115 1HD ARG 115 13.977 7.005 7.005 409 HE ARG 115 HE ARG 115 14.053 4.783 4.783 410 1HH1 ARG 115 1HH1 ARG 115 13.374 5.119 5.119 411 2HH1 ARG 115 2HH1 ARG 115 13.501 3.422 3.422 412 1HH2 ARG 115 2HH2 ARG 115 14.223 2.547 2.547 413 2HH2 ARG 115 1HH2 ARG 115 13.984 1.961 1.961 414 HA PRO 116 HA PRO 116 7.106 6.649 6.649 415 1HB PRO 116 2HB PRO 116 5.688 8.894 8.894 416 2HB PRO 116 1HB PRO 116 5.480 7.538 7.538 417 1HG PRO 116 1HG PRO 116 7.029 10.073 10.073 418 2HG PRO 116 2HG PRO 116 5.981 9.227 9.227 419 1HD PRO 116 2HD PRO 116 8.734 9.038 9.038 420 2HD PRO 116 1HD PRO 116 7.654 7.817 7.817 421 H VAL 117 H VAL 117 6.680 7.870 7.870 422 HA VAL 117 HA VAL 117 8.882 9.726 9.726 423 HB VAL 117 HB VAL 117 8.742 7.393 7.393 424 1HG1 VAL 117 2HG2 VAL 117 6.265 8.196 8.196 425 2HG1 VAL 117 1HG2 VAL 117 7.214 8.641 8.641 426 3HG1 VAL 117 3HG2 VAL 117 7.222 6.975 6.975 427 1HG2 VAL 117 3HG1 VAL 117 9.820 9.875 9.875 428 2HG2 VAL 117 2HG1 VAL 117 10.337 8.275 8.275 429 3HG2 VAL 117 1HG1 VAL 117 9.156 9.180 9.180 430 H ARG 118 H ARG 118 8.281 11.040 11.040 431 HA ARG 118 HA ARG 118 5.500 11.835 11.835 432 1HB ARG 118 2HB ARG 118 6.358 13.178 13.178 433 2HB ARG 118 1HB ARG 118 7.653 13.787 13.787 434 1HG ARG 118 2HG ARG 118 6.238 15.137 15.137 435 2HG ARG 118 1HG ARG 118 4.809 14.185 14.185 436 1HD ARG 118 1HD ARG 118 4.385 15.462 15.462 437 2HD ARG 118 2HD ARG 118 6.026 15.248 15.248 438 HE ARG 118 HE ARG 118 6.106 17.105 17.105 439 1HH1 ARG 118 1HH1 ARG 118 4.834 16.803 16.803 440 2HH1 ARG 118 2HH1 ARG 118 4.923 18.500 18.500 441 1HH2 ARG 118 1HH2 ARG 118 6.228 19.344 19.344 442 2HH2 ARG 118 2HH2 ARG 118 5.717 19.944 19.944 443 H GLY 119 H GLY 119 5.618 11.158 11.158 444 1HA GLY 119 2HA GLY 119 6.882 13.118 13.118 445 2HA GLY 119 1HA GLY 119 7.397 11.448 11.448 446 H LEU 120 H LEU 120 6.589 10.919 10.919 447 HA LEU 120 HA LEU 120 3.679 11.206 11.206 448 1HB LEU 120 2HB LEU 120 5.692 12.332 12.332 449 2HB LEU 120 1HB LEU 120 5.214 10.915 10.915 450 HG LEU 120 HG LEU 120 3.692 13.409 13.409 451 1HD1 LEU 120 2HD1 LEU 120 4.837 12.198 12.198 452 2HD1 LEU 120 1HD1 LEU 120 3.103 11.937 11.937 453 3HD1 LEU 120 3HD1 LEU 120 3.732 13.574 13.574 454 1HD2 LEU 120 1HD2 LEU 120 2.536 10.741 10.741 455 2HD2 LEU 120 3HD2 LEU 120 1.882 12.315 12.315 456 3HD2 LEU 120 2HD2 LEU 120 1.735 11.748 11.748 457 H LEU 121 H LEU 121 2.637 9.324 9.324 458 HA LEU 121 HA LEU 121 4.134 6.876 6.876 459 1HB LEU 121 1HB LEU 121 2.585 6.765 6.765 460 2HB LEU 121 2HB LEU 121 1.292 7.429 7.429 461 HG LEU 121 HG LEU 121 1.039 5.405 5.405 462 1HD1 LEU 121 1HD1 LEU 121 3.532 5.007 5.007 463 2HD1 LEU 121 3HD1 LEU 121 3.416 4.228 4.228 464 3HD1 LEU 121 2HD1 LEU 121 2.524 3.575 3.575 465 1HD2 LEU 121 2HD2 LEU 121 0.100 5.424 5.424 466 2HD2 LEU 121 1HD2 LEU 121 0.498 3.805 3.805 467 3HD2 LEU 121 3HD2 LEU 121 1.560 4.621 4.621 468 H HIS 122 H HIS 122 4.566 6.508 6.508 469 HA HIS 122 HA HIS 122 2.817 7.305 7.305 470 1HB HIS 122 2HB HIS 122 5.248 5.502 5.502 471 2HB HIS 122 1HB HIS 122 4.427 6.105 6.105 472 HD1 HIS 122 HD1 HIS 122 4.224 8.994 8.994 473 HD2 HIS 122 HD2 HIS 122 7.435 6.946 6.946 474 HE1 HIS 122 HE1 HIS 122 6.078 10.691 10.691 475 H VAL 123 H VAL 123 0.956 6.311 6.311 476 HA VAL 123 HA VAL 123 0.846 3.376 3.376 477 HB VAL 123 HB VAL 123 -1.424 5.362 5.362 478 1HG1 VAL 123 1HG1 VAL 123 -1.974 3.109 3.109 479 2HG1 VAL 123 3HG1 VAL 123 -1.504 2.406 2.406 480 3HG1 VAL 123 2HG1 VAL 123 -2.857 3.534 3.534 481 1HG2 VAL 123 3HG2 VAL 123 0.326 5.138 5.138 482 2HG2 VAL 123 2HG2 VAL 123 -1.394 5.108 5.108 483 3HG2 VAL 123 1HG2 VAL 123 -0.479 3.600 3.600 484 H SER 124 H SER 124 1.144 2.553 2.553 485 HA SER 124 HA SER 124 -0.452 3.719 3.719 486 1HB SER 124 2HB SER 124 1.286 3.530 3.530 487 2HB SER 124 1HB SER 124 2.234 3.662 3.662 488 HG SER 124 HG SER 124 2.986 1.894 1.894 489 H GLY 125 H GLY 125 -0.874 1.412 1.412 490 1HA GLY 125 2HA GLY 125 -1.964 -0.603 -0.603 491 2HA GLY 125 1HA GLY 125 -2.411 -0.225 -0.225 492 H ASP 126 H ASP 126 0.950 -0.218 -0.218 493 HA ASP 126 HA ASP 126 1.281 -3.052 -3.052 494 1HB ASP 126 2HB ASP 126 0.878 -1.812 -1.812 495 2HB ASP 126 1HB ASP 126 2.466 -1.095 -1.095 496 H GLY 127 H GLY 127 2.130 -0.724 -0.724 497 1HA GLY 127 2HA GLY 127 4.419 -1.751 -1.751 498 2HA GLY 127 1HA GLY 127 5.002 -0.712 -0.712 499 H LEU 128 H LEU 128 3.676 -0.872 -0.872 500 HA LEU 128 HA LEU 128 3.184 1.949 1.949 501 1HB LEU 128 1HB LEU 128 3.600 0.057 0.057 502 2HB LEU 128 2HB LEU 128 2.605 1.499 1.499 503 HG LEU 128 HG LEU 128 1.881 -0.784 -0.784 504 1HD1 LEU 128 3HD1 LEU 128 1.932 -0.868 -0.868 505 2HD1 LEU 128 2HD1 LEU 128 0.395 -1.320 -1.320 506 3HD1 LEU 128 1HD1 LEU 128 1.871 -2.182 -2.182 507 1HD2 LEU 128 2HD2 LEU 128 0.728 1.452 1.452 508 2HD2 LEU 128 1HD2 LEU 128 -0.318 0.054 0.054 509 3HD2 LEU 128 3HD2 LEU 128 0.158 1.063 1.063 510 H ARG 129 H ARG 129 4.811 3.360 3.360 511 HA ARG 129 HA ARG 129 7.325 2.594 2.594 512 1HB ARG 129 1HB ARG 129 7.175 4.788 4.788 513 2HB ARG 129 2HB ARG 129 8.550 3.792 3.792 514 1HG ARG 129 1HG ARG 129 7.136 1.857 1.857 515 2HG ARG 129 2HG ARG 129 6.293 3.170 3.170 516 1HD ARG 129 2HD ARG 129 7.962 3.432 3.432 517 2HD ARG 129 1HD ARG 129 9.149 3.532 3.532 518 HE ARG 129 HE ARG 129 8.548 0.864 0.864 519 1HH1 ARG 129 1HH1 ARG 129 9.777 3.343 3.343 520 2HH1 ARG 129 2HH1 ARG 129 10.712 2.244 2.244 521 1HH2 ARG 129 1HH2 ARG 129 9.775 -0.593 -0.593 522 2HH2 ARG 129 2HH2 ARG 129 10.710 0.006 0.006 523 H VAL 130 H VAL 130 6.645 3.345 3.345 524 HA VAL 130 HA VAL 130 5.808 6.075 6.075 525 HB VAL 130 HB VAL 130 4.991 4.419 4.419 526 1HG1 VAL 130 2HG2 VAL 130 7.717 3.539 3.539 527 2HG1 VAL 130 1HG2 VAL 130 7.200 3.834 3.834 528 3HG1 VAL 130 3HG2 VAL 130 6.289 2.724 2.724 529 1HG2 VAL 130 3HG1 VAL 130 6.118 6.852 6.852 530 2HG2 VAL 130 2HG1 VAL 130 4.978 5.906 5.906 531 3HG2 VAL 130 1HG1 VAL 130 6.712 5.729 5.729 532 H VAL 131 H VAL 131 7.338 7.529 7.529 533 HA VAL 131 HA VAL 131 10.072 7.177 7.177 534 HB VAL 131 HB VAL 131 9.000 9.156 9.156 535 1HG1 VAL 131 1HG1 VAL 131 11.826 8.555 8.555 536 2HG1 VAL 131 3HG1 VAL 131 11.376 9.590 9.590 537 3HG1 VAL 131 2HG1 VAL 131 10.934 10.047 10.047 538 1HG2 VAL 131 3HG2 VAL 131 9.562 6.422 6.422 539 2HG2 VAL 131 2HG2 VAL 131 9.248 7.600 7.600 540 3HG2 VAL 131 1HG2 VAL 131 10.903 7.284 7.284 541 H ASP 132 H ASP 132 11.178 8.920 8.920 542 HA ASP 132 HA ASP 132 9.427 10.466 10.466 543 1HB ASP 132 1HB ASP 132 12.292 10.837 10.837 544 2HB ASP 132 2HB ASP 132 11.049 10.308 10.308 545 H ASP 133 H ASP 133 9.329 12.671 12.671 546 HA ASP 133 HA ASP 133 10.398 14.076 14.076 547 1HB ASP 133 2HB ASP 133 8.048 14.414 14.414 548 2HB ASP 133 1HB ASP 133 8.639 15.104 15.104 549 H GLU 134 H GLU 134 11.934 13.201 13.201 550 HA GLU 134 HA GLU 134 13.101 15.825 15.825 551 1HB GLU 134 2HB GLU 134 13.850 14.874 14.874 552 2HB GLU 134 1HB GLU 134 12.118 14.622 14.622 553 1HG GLU 134 1HG GLU 134 12.341 12.433 12.433 554 2HG GLU 134 2HG GLU 134 13.591 12.386 12.386 555 H THR 135 H THR 135 13.710 12.576 12.576 556 HA THR 135 HA THR 135 16.386 13.388 13.388 557 HB THR 135 HB THR 135 17.342 11.270 11.270 558 HG1 THR 135 1HG THR 135 16.036 9.942 9.942 559 1HG2 THR 135 1HG2 THR 135 15.906 12.801 12.801 560 2HG2 THR 135 3HG2 THR 135 17.076 11.521 11.521 561 3HG2 THR 135 2HG2 THR 135 17.579 12.975 12.975 562 H LYS 136 H LYS 136 13.500 12.498 12.498 563 HA LYS 136 HA LYS 136 12.630 11.246 11.246 564 1HB LYS 136 2HB LYS 136 14.689 12.990 12.990 565 2HB LYS 136 1HB LYS 136 14.765 11.531 11.531 566 1HG LYS 136 2HG LYS 136 13.340 13.259 13.259 567 2HG LYS 136 1HG LYS 136 12.449 11.782 11.782 568 1HD LYS 136 1HD LYS 136 11.679 12.859 12.859 569 2HD LYS 136 2HD LYS 136 12.438 14.355 14.355 570 1HE LYS 136 1HE LYS 136 10.293 12.862 12.862 571 2HE LYS 136 2HE LYS 136 10.009 14.261 14.261 572 1HZ LYS 136 2HZ LYS 136 11.834 15.293 15.293 573 2HZ LYS 136 1HZ LYS 136 11.251 14.129 14.129 574 3HZ LYS 136 3HZ LYS 136 10.200 15.287 15.287 575 H GLY 137 H GLY 137 13.788 9.532 9.532 576 1HA GLY 137 2HA GLY 137 15.288 7.613 7.613 577 2HA GLY 137 1HA GLY 137 15.214 7.600 7.600 578 H LEU 138 H LEU 138 14.576 5.547 5.547 579 HA LEU 138 HA LEU 138 11.741 5.152 5.152 580 1HB LEU 138 1HB LEU 138 13.225 4.383 4.383 581 2HB LEU 138 2HB LEU 138 13.865 3.162 3.162 582 HG LEU 138 HG LEU 138 11.858 1.949 1.949 583 1HD1 LEU 138 1HD1 LEU 138 10.494 4.341 4.341 584 2HD1 LEU 138 3HD1 LEU 138 9.737 2.787 2.787 585 3HD1 LEU 138 2HD1 LEU 138 10.334 3.798 3.798 586 1HD2 LEU 138 1HD2 LEU 138 13.136 2.458 2.458 587 2HD2 LEU 138 3HD2 LEU 138 11.907 1.217 1.217 588 3HD2 LEU 138 2HD2 LEU 138 11.454 2.790 2.790 589 H ILE 139 H ILE 139 10.757 4.574 4.574 590 HA ILE 139 HA ILE 139 12.147 3.177 3.177 591 HB ILE 139 HB ILE 139 9.195 3.739 3.739 592 1HG1 ILE 139 2HG1 ILE 139 11.389 5.643 5.643 593 2HG1 ILE 139 1HG1 ILE 139 10.422 5.812 5.812 594 1HG2 ILE 139 3HG2 ILE 139 10.309 2.302 2.302 595 2HG2 ILE 139 2HG2 ILE 139 11.086 3.785 3.785 596 3HG2 ILE 139 1HG2 ILE 139 9.328 3.653 3.653 597 1HD1 ILE 139 3HD1 ILE 139 8.450 5.683 5.683 598 2HD1 ILE 139 2HD1 ILE 139 9.720 6.354 6.354 599 3HD1 ILE 139 1HD1 ILE 139 9.245 7.193 7.193 600 H VAL 140 H VAL 140 9.310 2.494 2.494 601 HA VAL 140 HA VAL 140 9.744 -0.367 -0.367 602 HB VAL 140 HB VAL 140 7.104 0.985 0.985 603 1HG1 VAL 140 3HG1 VAL 140 7.786 -1.893 -1.893 604 2HG1 VAL 140 2HG1 VAL 140 6.150 -1.239 -1.239 605 3HG1 VAL 140 1HG1 VAL 140 7.138 -1.241 -1.241 606 1HG2 VAL 140 3HG2 VAL 140 7.970 1.468 1.468 607 2HG2 VAL 140 2HG2 VAL 140 6.528 0.454 0.454 608 3HG2 VAL 140 1HG2 VAL 140 8.119 -0.262 -0.262 609 H ASP 141 H ASP 141 10.855 -1.006 -1.006 610 HA ASP 141 HA ASP 141 9.987 -0.126 -0.126 611 1HB ASP 141 1HB ASP 141 12.071 -1.155 -1.155 612 2HB ASP 141 2HB ASP 141 12.379 -0.020 -0.020 613 H GLN 142 H GLN 142 8.095 -1.287 -1.287 614 HA GLN 142 HA GLN 142 8.500 -4.108 -4.108 615 1HB GLN 142 2HB GLN 142 6.302 -3.063 -3.063 616 2HB GLN 142 1HB GLN 142 6.292 -4.662 -4.662 617 1HG GLN 142 2HG GLN 142 7.776 -5.485 -5.485 618 2HG GLN 142 1HG GLN 142 8.730 -4.003 -4.003 619 1HE2 GLN 142 1HE2 GLN 142 7.433 -4.208 -4.208 620 2HE2 GLN 142 2HE2 GLN 142 8.640 -4.923 -4.923 621 H THR 143 H THR 143 6.742 -4.979 -4.979 622 HA THR 143 HA THR 143 5.734 -2.876 -2.876 623 HB THR 143 HB THR 143 7.201 -4.813 -4.813 624 HG1 THR 143 1HG THR 143 6.005 -3.405 -3.405 625 1HG2 THR 143 2HG2 THR 143 5.761 -6.564 -6.564 626 2HG2 THR 143 1HG2 THR 143 4.617 -6.294 -6.294 627 3HG2 THR 143 3HG2 THR 143 6.250 -6.862 -6.862 628 H ILE 144 H ILE 144 4.567 -4.346 -4.346 629 HA ILE 144 HA ILE 144 2.459 -4.387 -4.387 630 HB ILE 144 HB ILE 144 2.009 -2.816 -2.816 631 1HG1 ILE 144 1HG1 ILE 144 -0.271 -4.007 -4.007 632 2HG1 ILE 144 2HG1 ILE 144 0.919 -2.923 -2.923 633 1HG2 ILE 144 1HG2 ILE 144 1.393 -5.079 -5.079 634 2HG2 ILE 144 3HG2 ILE 144 -0.170 -4.750 -4.750 635 3HG2 ILE 144 2HG2 ILE 144 0.572 -3.555 -3.555 636 1HD1 ILE 144 3HD1 ILE 144 -0.814 -2.221 -2.221 637 2HD1 ILE 144 2HD1 ILE 144 -1.176 -1.805 -1.805 638 3HD1 ILE 144 1HD1 ILE 144 0.260 -1.145 -1.145 639 H GLU 145 H GLU 145 3.006 -6.251 -6.251 640 HA GLU 145 HA GLU 145 1.177 -8.321 -8.321 641 1HB GLU 145 1HB GLU 145 1.639 -9.388 -9.388 642 2HB GLU 145 2HB GLU 145 1.457 -7.668 -7.668 643 1HG GLU 145 1HG GLU 145 3.490 -7.536 -7.536 644 2HG GLU 145 2HG GLU 145 4.207 -8.326 -8.326 645 H LYS 146 H LYS 146 4.559 -7.623 -7.623 646 HA LYS 146 HA LYS 146 5.388 -10.328 -10.328 647 1HB LYS 146 2HB LYS 146 6.766 -8.325 -8.325 648 2HB LYS 146 1HB LYS 146 7.025 -7.924 -7.924 649 1HG LYS 146 1HG LYS 146 8.548 -9.523 -9.523 650 2HG LYS 146 2HG LYS 146 7.530 -10.725 -10.725 651 1HD LYS 146 2HD LYS 146 8.296 -9.126 -9.126 652 2HD LYS 146 1HD LYS 146 9.733 -9.127 -9.127 653 1HE LYS 146 2HE LYS 146 10.245 -11.062 -11.062 654 2HE LYS 146 1HE LYS 146 8.980 -11.765 -11.765 655 1HZ LYS 146 1HZ LYS 146 8.267 -10.564 -10.564 656 2HZ LYS 146 3HZ LYS 146 8.944 -12.113 -12.113 657 3HZ LYS 146 2HZ LYS 146 7.497 -11.805 -11.805 658 H VAL 147 H VAL 147 4.042 -7.796 -7.796 659 HA VAL 147 HA VAL 147 5.178 -8.620 -8.620 660 HB VAL 147 HB VAL 147 2.681 -7.051 -7.051 661 1HG1 VAL 147 3HG1 VAL 147 4.773 -7.591 -7.591 662 2HG1 VAL 147 2HG1 VAL 147 5.127 -5.949 -5.949 663 3HG1 VAL 147 1HG1 VAL 147 3.580 -6.313 -6.313 664 1HG2 VAL 147 3HG2 VAL 147 5.140 -5.965 -5.965 665 2HG2 VAL 147 2HG2 VAL 147 3.496 -6.035 -6.035 666 3HG2 VAL 147 1HG2 VAL 147 3.880 -4.947 -4.947 667 H SER 148 H SER 148 3.279 -8.830 -8.830 668 HA SER 148 HA SER 148 1.860 -11.268 -11.268 669 1HB SER 148 2HB SER 148 3.257 -10.434 -10.434 670 2HB SER 148 1HB SER 148 1.577 -10.759 -10.759 671 HG SER 148 HG SER 148 2.504 -12.710 -12.710 672 H PHE 149 H PHE 149 0.993 -8.417 -8.417 673 HA PHE 149 HA PHE 149 -1.102 -7.547 -7.547 674 1HB PHE 149 2HB PHE 149 -2.254 -9.359 -9.359 675 2HB PHE 149 1HB PHE 149 -3.108 -8.508 -8.508 676 HD1 PHE 149 HD1 PHE 149 -2.014 -9.117 -9.117 677 HD2 PHE 149 HD2 PHE 149 -2.142 -11.624 -11.624 678 HE1 PHE 149 HE1 PHE 149 -1.842 -11.100 -11.100 679 HE2 PHE 149 HE2 PHE 149 -1.971 -13.613 -13.613 680 HZ PHE 149 HZ PHE 149 -1.821 -13.352 -13.352 681 H CYS 150 H CYS 150 -3.006 -6.680 -6.680 682 HA CYS 150 HA CYS 150 -1.524 -5.422 -5.422 683 1HB CYS 150 2HB CYS 150 -2.395 -3.246 -3.246 684 2HB CYS 150 1HB CYS 150 -1.624 -3.903 -3.903 685 HG CYS 150 HG CYS 150 -4.622 -3.334 -3.334 686 H ALA 151 H ALA 151 -3.003 -4.225 -4.225 687 HA ALA 151 HA ALA 151 -5.754 -4.783 -4.783 688 1HB ALA 151 1HB ALA 151 -3.976 -6.840 -6.840 689 2HB ALA 151 3HB ALA 151 -5.186 -6.275 -6.275 690 3HB ALA 151 2HB ALA 151 -5.690 -6.920 -6.920 691 HA PRO 152 HA PRO 152 -4.622 -1.256 -1.256 692 1HB PRO 152 2HB PRO 152 -7.218 -0.504 -0.504 693 2HB PRO 152 1HB PRO 152 -6.312 -0.030 -0.030 694 1HG PRO 152 1HG PRO 152 -8.303 -2.234 -2.234 695 2HG PRO 152 2HG PRO 152 -8.115 -1.092 -1.092 696 1HD PRO 152 1HD PRO 152 -7.213 -3.611 -3.611 697 2HD PRO 152 2HD PRO 152 -6.319 -2.260 -2.260 698 H ASP 153 H ASP 153 -4.901 -0.638 -0.638 699 HA ASP 153 HA ASP 153 -5.658 -2.866 -2.866 700 1HB ASP 153 2HB ASP 153 -3.433 -1.955 -1.955 701 2HB ASP 153 1HB ASP 153 -4.096 -0.333 -0.333 702 H ARG 154 H ARG 154 -7.852 -1.862 -1.862 703 HA ARG 154 HA ARG 154 -9.948 -1.330 -1.330 704 1HB ARG 154 1HB ARG 154 -8.701 0.313 0.313 705 2HB ARG 154 2HB ARG 154 -10.353 -0.280 -0.280 706 1HG ARG 154 2HG ARG 154 -8.436 -2.444 -2.444 707 2HG ARG 154 1HG ARG 154 -8.242 -1.453 -1.453 708 1HD ARG 154 1HD ARG 154 -9.858 -2.791 -2.791 709 2HD ARG 154 2HD ARG 154 -10.924 -1.688 -1.688 710 HE ARG 154 HE ARG 154 -10.172 -3.700 -3.700 711 1HH1 ARG 154 1HH2 ARG 154 -11.967 -3.366 -3.366 712 2HH1 ARG 154 2HH2 ARG 154 -13.015 -4.705 -4.705 713 1HH2 ARG 154 1HH1 ARG 154 -11.545 -5.467 -5.467 714 2HH2 ARG 154 2HH1 ARG 154 -12.774 -5.900 -5.900 715 H ASN 155 H ASN 155 -10.269 -0.207 -0.207 716 HA ASN 155 HA ASN 155 -9.125 2.166 2.166 717 1HB ASN 155 2HB ASN 155 -11.547 0.660 0.660 718 2HB ASN 155 1HB ASN 155 -11.644 2.385 2.385 719 1HD2 ASN 155 1HD2 ASN 155 -10.322 1.084 1.084 720 2HD2 ASN 155 2HD2 ASN 155 -11.807 1.257 1.257 721 H HIS 156 H HIS 156 -11.478 1.657 1.657 722 HA HIS 156 HA HIS 156 -12.875 3.993 3.993 723 1HB HIS 156 1HB HIS 156 -12.517 1.850 1.850 724 2HB HIS 156 2HB HIS 156 -11.869 3.189 3.189 725 HD1 HIS 156 HD1 HIS 156 -13.913 2.975 2.975 726 HD2 HIS 156 HD2 HIS 156 -14.901 3.957 3.957 727 HE1 HIS 156 HE1 HIS 156 -16.312 3.770 3.770 728 H GLU 157 H GLU 157 -9.478 3.609 3.609 729 HA GLU 157 HA GLU 157 -9.397 6.371 6.371 730 1HB GLU 157 1HB GLU 157 -6.837 5.476 5.476 731 2HB GLU 157 2HB GLU 157 -8.074 5.508 5.508 732 1HG GLU 157 1HG GLU 157 -8.669 3.195 3.195 733 2HG GLU 157 2HG GLU 157 -7.384 3.167 3.167 734 H ARG 158 H ARG 158 -9.141 4.791 4.791 735 HA ARG 158 HA ARG 158 -8.376 5.432 5.432 736 1HB ARG 158 2HB ARG 158 -7.118 7.847 7.847 737 2HB ARG 158 1HB ARG 158 -7.715 7.671 7.671 738 1HG ARG 158 1HG ARG 158 -9.355 7.842 7.842 739 2HG ARG 158 2HG ARG 158 -9.223 9.060 9.060 740 1HD ARG 158 2HD ARG 158 -10.703 8.012 8.012 741 2HD ARG 158 1HD ARG 158 -10.052 6.417 6.417 742 HE ARG 158 HE ARG 158 -11.780 6.164 6.164 743 1HH1 ARG 158 1HH1 ARG 158 -11.102 9.567 9.567 744 2HH1 ARG 158 2HH1 ARG 158 -12.384 10.049 10.049 745 1HH2 ARG 158 1HH2 ARG 158 -13.472 6.788 6.788 746 2HH2 ARG 158 2HH2 ARG 158 -13.731 8.468 8.468 747 H GLY 159 H GLY 159 -6.910 3.561 3.561 748 1HA GLY 159 1HA GLY 159 -4.160 4.324 4.324 749 2HA GLY 159 2HA GLY 159 -4.465 3.469 3.469 750 H PHE 160 H PHE 160 -3.191 2.970 2.970 751 HA PHE 160 HA PHE 160 -4.422 0.339 0.339 752 1HB PHE 160 1HB PHE 160 -3.333 2.354 2.354 753 2HB PHE 160 2HB PHE 160 -2.559 0.794 0.794 754 HD1 PHE 160 HD1 PHE 160 -6.066 1.558 1.558 755 HD2 PHE 160 HD2 PHE 160 -3.426 0.008 0.008 756 HE1 PHE 160 HE1 PHE 160 -7.997 0.816 0.816 757 HE2 PHE 160 HE2 PHE 160 -5.353 -0.737 -0.737 758 HZ PHE 160 HZ PHE 160 -7.643 -0.334 -0.334 759 H SER 161 H SER 161 -2.486 -1.109 -1.109 760 HA SER 161 HA SER 161 0.083 -0.942 -0.942 761 1HB SER 161 1HB SER 161 -0.648 -3.141 -3.141 762 2HB SER 161 2HB SER 161 -0.183 -1.540 -1.540 763 HG SER 161 HG SER 161 -2.716 -2.675 -2.675 764 H TYR 162 H TYR 162 1.309 -2.203 -2.203 765 HA TYR 162 HA TYR 162 0.044 -4.396 -4.396 766 1HB TYR 162 2HB TYR 162 2.853 -3.619 -3.619 767 2HB TYR 162 1HB TYR 162 1.563 -4.079 -4.079 768 HD1 TYR 162 HD1 TYR 162 3.004 -1.304 -1.304 769 HD2 TYR 162 HD2 TYR 162 0.139 -2.436 -2.436 770 HE1 TYR 162 HE1 TYR 162 2.667 1.065 1.065 771 HE2 TYR 162 HE2 TYR 162 -0.207 -0.071 -0.071 772 HH TYR 162 HH2 TYR 162 1.526 2.177 2.177 773 H ILE 163 H ILE 163 2.042 -6.067 -6.067 774 HA ILE 163 HA ILE 163 3.610 -6.759 -6.759 775 HB ILE 163 HB ILE 163 2.442 -9.197 -9.197 776 1HG1 ILE 163 1HG1 ILE 163 0.036 -7.454 -7.454 777 2HG1 ILE 163 2HG1 ILE 163 0.630 -7.800 -7.800 778 1HG2 ILE 163 1HG2 ILE 163 2.273 -6.975 -6.975 779 2HG2 ILE 163 3HG2 ILE 163 1.087 -8.267 -8.267 780 3HG2 ILE 163 2HG2 ILE 163 2.811 -8.640 -8.640 781 1HD1 ILE 163 3HD1 ILE 163 0.616 -10.279 -10.279 782 2HD1 ILE 163 2HD1 ILE 163 -0.743 -9.534 -9.534 783 3HD1 ILE 163 1HD1 ILE 163 -0.715 -9.578 -9.578 784 H CYS 164 H CYS 164 5.391 -7.864 -7.864 785 HA CYS 164 HA CYS 164 5.382 -9.211 -9.211 786 1HB CYS 164 2HB CYS 164 6.449 -7.085 -7.085 787 2HB CYS 164 1HB CYS 164 7.465 -7.284 -7.284 788 HG CYS 164 HG CYS 164 7.951 -8.565 -8.565 789 H ARG 165 H ARG 165 6.905 -10.909 -10.909 790 HA ARG 165 HA ARG 165 7.879 -11.978 -11.978 791 1HB ARG 165 2HB ARG 165 7.750 -14.220 -14.220 792 2HB ARG 165 1HB ARG 165 6.246 -13.495 -13.495 793 1HG ARG 165 1HG ARG 165 5.472 -13.250 -13.250 794 2HG ARG 165 2HG ARG 165 7.028 -12.683 -12.683 795 1HD ARG 165 2HD ARG 165 7.465 -14.676 -14.676 796 2HD ARG 165 1HD ARG 165 7.218 -15.455 -15.455 797 HE ARG 165 HE ARG 165 4.697 -15.038 -15.038 798 1HH1 ARG 165 1HH1 ARG 165 7.523 -16.552 -16.552 799 2HH1 ARG 165 2HH1 ARG 165 6.620 -17.680 -17.680 800 1HH2 ARG 165 1HH2 ARG 165 3.496 -16.517 -16.517 801 2HH2 ARG 165 2HH2 ARG 165 4.331 -17.660 -17.660 802 H ASP 166 H ASP 166 9.960 -11.252 -11.252 803 HA ASP 166 HA ASP 166 12.141 -10.999 -10.999 804 1HB ASP 166 1HB ASP 166 12.552 -13.338 -13.338 805 2HB ASP 166 2HB ASP 166 13.038 -13.047 -13.047 806 H GLY 167 H GLY 167 13.599 -11.803 -11.803 807 1HA GLY 167 1HA GLY 167 13.770 -11.540 -11.540 808 2HA GLY 167 2HA GLY 167 12.183 -10.789 -10.789 809 H THR 168 H THR 168 11.987 -8.582 -8.582 810 HA THR 168 HA THR 168 14.494 -7.090 -7.090 811 HB THR 168 HB THR 168 11.933 -5.635 -5.635 812 HG1 THR 168 1HG THR 168 11.206 -6.622 -6.622 813 1HG2 THR 168 2HG2 THR 168 14.307 -5.808 -5.808 814 2HG2 THR 168 1HG2 THR 168 12.942 -4.704 -4.704 815 3HG2 THR 168 3HG2 THR 168 14.023 -4.566 -4.566 816 H THR 169 H THR 169 13.575 -8.210 -8.210 817 HA THR 169 HA THR 169 13.673 -5.732 -5.732 818 HB THR 169 HB THR 169 11.903 -7.356 -7.356 819 HG1 THR 169 1HG THR 169 10.928 -7.035 -7.035 820 1HG2 THR 169 2HG2 THR 169 11.615 -4.812 -4.812 821 2HG2 THR 169 1HG2 THR 169 10.199 -5.588 -5.588 822 3HG2 THR 169 3HG2 THR 169 11.551 -5.106 -5.106 823 H ARG 170 H ARG 170 12.888 -8.981 -8.981 824 HA ARG 170 HA ARG 170 15.462 -9.826 -9.826 825 1HB ARG 170 1HB ARG 170 15.072 -9.432 -9.432 826 2HB ARG 170 2HB ARG 170 15.819 -8.187 -8.187 827 1HG ARG 170 2HG ARG 170 13.661 -7.059 -7.059 828 2HG ARG 170 1HG ARG 170 12.929 -8.310 -8.310 829 1HD ARG 170 2HD ARG 170 15.188 -6.517 -6.517 830 2HD ARG 170 1HD ARG 170 13.488 -6.238 -6.238 831 HE ARG 170 HE ARG 170 14.319 -8.832 -8.832 832 1HH1 ARG 170 1HH1 ARG 170 14.464 -5.463 -5.463 833 2HH1 ARG 170 2HH1 ARG 170 14.646 -5.775 -5.775 834 1HH2 ARG 170 1HH2 ARG 170 14.559 -9.253 -9.253 835 2HH2 ARG 170 2HH2 ARG 170 14.700 -7.930 -7.930 836 H ARG 171 H ARG 171 12.145 -9.671 -9.671 837 HA ARG 171 HA ARG 171 11.767 -12.483 -12.483 838 1HB ARG 171 2HB ARG 171 11.484 -13.146 -13.146 839 2HB ARG 171 1HB ARG 171 13.032 -12.320 -12.320 840 1HG ARG 171 2HG ARG 171 12.376 -10.672 -10.672 841 2HG ARG 171 1HG ARG 171 10.750 -10.604 -10.604 842 1HD ARG 171 2HD ARG 171 9.940 -11.836 -11.836 843 2HD ARG 171 1HD ARG 171 11.140 -13.095 -13.095 844 HE ARG 171 HE ARG 171 11.224 -11.042 -11.042 845 1HH1 ARG 171 1HH1 ARG 171 13.074 -13.315 -13.315 846 2HH1 ARG 171 2HH1 ARG 171 14.378 -13.393 -13.393 847 1HH2 ARG 171 1HH2 ARG 171 12.935 -11.137 -11.137 848 2HH2 ARG 171 2HH2 ARG 171 14.299 -12.154 -12.154 849 H TRP 172 H TRP 172 9.593 -12.487 -12.487 850 HA TRP 172 HA TRP 172 7.523 -11.426 -11.426 851 1HB TRP 172 1HB TRP 172 7.035 -12.041 -12.041 852 2HB TRP 172 2HB TRP 172 6.029 -12.388 -12.388 853 HD1 TRP 172 HD1 TRP 172 8.248 -14.057 -14.057 854 HE1 TRP 172 HE1 TRP 172 8.880 -16.410 -16.410 855 HE3 TRP 172 HE3 TRP 172 6.688 -13.674 -13.674 856 HZ2 TRP 172 2HZ TRP 172 8.736 -17.913 -17.913 857 HZ3 TRP 172 HZ3 TRP 172 6.968 -15.618 -15.618 858 HH2 TRP 172 HH2 TRP 172 7.973 -17.691 -17.691 859 H MET 173 H MET 173 8.515 -9.248 -9.248 860 HA MET 173 HA MET 173 8.269 -7.630 -7.630 861 1HB MET 173 1HB MET 173 9.146 -6.840 -6.840 862 2HB MET 173 2HB MET 173 9.282 -5.852 -5.852 863 1HG MET 173 1HG MET 173 10.779 -8.347 -8.347 864 2HG MET 173 2HG MET 173 11.417 -6.743 -6.743 865 1HE MET 173 2HE MET 173 9.943 -5.775 -5.775 866 2HE MET 173 1HE MET 173 10.584 -6.472 -6.472 867 3HE MET 173 3HE MET 173 11.685 -5.798 -5.798 868 H CYS 174 H CYS 174 6.497 -6.668 -6.668 869 HA CYS 174 HA CYS 174 4.300 -6.333 -6.333 870 1HB CYS 174 2HB CYS 174 4.743 -6.250 -6.250 871 2HB CYS 174 1HB CYS 174 3.700 -4.941 -4.941 872 HG CYS 174 HG CYS 174 2.942 -7.848 -7.848 873 H HIS 175 H HIS 175 3.226 -4.213 -4.213 874 HA HIS 175 HA HIS 175 5.097 -1.957 -1.957 875 1HB HIS 175 2HB HIS 175 3.417 -2.696 -2.696 876 2HB HIS 175 1HB HIS 175 4.366 -1.221 -1.221 877 HD1 HIS 175 HD1 HIS 175 6.732 -1.359 -1.359 878 HD2 HIS 175 HD2 HIS 175 5.074 -5.098 -5.098 879 HE1 HIS 175 HE1 HIS 175 8.422 -3.058 -3.058 880 H GLY 176 H GLY 176 4.172 -0.585 -0.585 881 1HA GLY 176 1HA GLY 176 1.256 -0.164 -0.164 882 2HA GLY 176 2HA GLY 176 2.173 0.024 0.024 883 H PHE 177 H PHE 177 0.573 1.745 1.745 884 HA PHE 177 HA PHE 177 2.175 4.125 4.125 885 1HB PHE 177 1HB PHE 177 2.059 4.871 4.871 886 2HB PHE 177 2HB PHE 177 2.924 3.344 3.344 887 HD1 PHE 177 HD1 PHE 177 1.214 1.232 1.232 888 HD2 PHE 177 HD2 PHE 177 0.680 5.062 5.062 889 HE1 PHE 177 HE1 PHE 177 -0.279 0.240 0.240 890 HE2 PHE 177 HE2 PHE 177 -0.815 4.079 4.079 891 HZ PHE 177 HZ PHE 177 -1.296 1.664 1.664 892 H LEU 178 H LEU 178 1.016 6.021 6.021 893 HA LEU 178 HA LEU 178 -1.909 5.703 5.703 894 1HB LEU 178 2HB LEU 178 -0.163 6.685 6.685 895 2HB LEU 178 1HB LEU 178 -1.080 8.055 8.055 896 HG LEU 178 HG LEU 178 -2.030 6.806 6.806 897 1HD1 LEU 178 1HD1 LEU 178 -3.295 7.947 7.947 898 2HD1 LEU 178 3HD1 LEU 178 -4.301 6.647 6.647 899 3HD1 LEU 178 2HD1 LEU 178 -3.810 7.978 7.978 900 1HD2 LEU 178 3HD2 LEU 178 -1.563 4.566 4.566 901 2HD2 LEU 178 2HD2 LEU 178 -2.915 4.713 4.713 902 3HD2 LEU 178 1HD2 LEU 178 -3.189 4.866 4.866 903 H ALA 179 H ALA 179 -3.161 7.159 7.159 904 HA ALA 179 HA ALA 179 -2.037 8.518 8.518 905 1HB ALA 179 3HB ALA 179 -4.738 8.355 8.355 906 2HB ALA 179 2HB ALA 179 -4.424 9.652 9.652 907 3HB ALA 179 1HB ALA 179 -4.207 7.970 7.970 908 H CYS 180 H CYS 180 -1.545 10.639 10.639 909 HA CYS 180 HA CYS 180 -0.621 12.230 12.230 910 1HB CYS 180 1HB CYS 180 0.065 12.477 12.477 911 2HB CYS 180 2HB CYS 180 -1.518 13.148 13.148 912 HG CYS 180 HG CYS 180 0.507 14.938 14.938 913 H LYS 181 H LYS 181 -3.503 12.892 12.892 914 HA LYS 181 HA LYS 181 -4.489 14.839 14.839 915 1HB LYS 181 1HB LYS 181 -6.123 13.535 13.535 916 2HB LYS 181 2HB LYS 181 -6.276 15.158 15.158 917 1HG LYS 181 2HG LYS 181 -4.075 14.129 14.129 918 2HG LYS 181 1HG LYS 181 -5.337 15.284 15.284 919 1HD LYS 181 2HD LYS 181 -3.430 15.820 15.820 920 2HD LYS 181 1HD LYS 181 -3.004 16.193 16.193 921 1HE LYS 181 1HE LYS 181 -4.755 17.754 17.754 922 2HE LYS 181 2HE LYS 181 -5.550 17.175 17.175 923 1HZ LYS 181 1HZ LYS 181 -2.891 18.489 18.489 924 2HZ LYS 181 3HZ LYS 181 -4.343 19.315 19.315 925 3HZ LYS 181 2HZ LYS 181 -3.844 18.113 18.113 926 H ASP 182 H ASP 182 -4.895 11.431 11.431 927 HA ASP 182 HA ASP 182 -5.997 9.830 9.830 928 1HB ASP 182 1HB ASP 182 -5.483 11.963 11.963 929 2HB ASP 182 2HB ASP 182 -6.931 11.047 11.047 930 H SER 183 H SER 183 -7.655 9.881 9.881 931 HA SER 183 HA SER 183 -10.252 10.108 10.108 932 1HB SER 183 2HB SER 183 -9.327 12.566 12.566 933 2HB SER 183 1HB SER 183 -10.156 12.017 12.017 934 HG SER 183 HG SER 183 -11.300 13.121 13.121 935 H GLY 184 H GLY 184 -8.606 8.233 8.233 936 1HA GLY 184 2HA GLY 184 -8.681 6.802 6.802 937 2HA GLY 184 1HA GLY 184 -10.418 6.973 6.973 938 H GLU 185 H GLU 185 -8.123 9.469 9.469 939 HA GLU 185 HA GLU 185 -9.300 9.429 9.429 940 1HB GLU 185 2HB GLU 185 -9.632 11.435 11.435 941 2HB GLU 185 1HB GLU 185 -8.755 12.122 12.122 942 1HG GLU 185 1HG GLU 185 -10.988 10.543 10.543 943 2HG GLU 185 2HG GLU 185 -11.505 11.780 11.780 944 H ARG 186 H ARG 186 -6.515 9.071 9.071 945 HA ARG 186 HA ARG 186 -4.934 10.492 10.492 946 1HB ARG 186 2HB ARG 186 -4.220 9.742 9.742 947 2HB ARG 186 1HB ARG 186 -3.052 10.341 10.341 948 1HG ARG 186 1HG ARG 186 -5.524 11.899 11.899 949 2HG ARG 186 2HG ARG 186 -4.077 11.999 11.999 950 1HD ARG 186 1HD ARG 186 -2.852 13.051 13.051 951 2HD ARG 186 2HD ARG 186 -3.782 12.335 12.335 952 HE ARG 186 HE ARG 186 -5.486 14.044 14.044 953 1HH1 ARG 186 1HH1 ARG 186 -2.559 14.250 14.250 954 2HH1 ARG 186 2HH1 ARG 186 -2.884 15.853 15.853 955 1HH2 ARG 186 1HH2 ARG 186 -5.923 16.157 16.157 956 2HH2 ARG 186 2HH2 ARG 186 -4.796 16.936 16.936 957 H LEU 187 H LEU 187 -4.546 7.695 7.695 958 HA LEU 187 HA LEU 187 -3.907 6.038 6.038 959 1HB LEU 187 2HB LEU 187 -1.924 5.082 5.082 960 2HB LEU 187 1HB LEU 187 -1.719 6.654 6.654 961 HG LEU 187 HG LEU 187 -0.728 6.317 6.317 962 1HD1 LEU 187 3HD2 LEU 187 -1.440 8.522 8.522 963 2HD1 LEU 187 2HD2 LEU 187 -2.611 8.613 8.613 964 3HD1 LEU 187 1HD2 LEU 187 -0.884 8.549 8.549 965 1HD2 LEU 187 2HD1 LEU 187 -2.645 5.142 5.142 966 2HD2 LEU 187 1HD1 LEU 187 -2.216 6.588 6.588 967 3HD2 LEU 187 3HD1 LEU 187 -3.614 6.607 6.607 968 H SER 188 H SER 188 -5.931 6.335 6.335 969 HA SER 188 HA SER 188 -5.723 3.647 3.647 970 1HB SER 188 1HB SER 188 -6.873 6.160 6.160 971 2HB SER 188 2HB SER 188 -8.049 4.849 4.849 972 HG SER 188 HG SER 188 -5.791 5.294 5.294 973 H HIS 189 H HIS 189 -7.649 5.650 5.650 974 HA HIS 189 HA HIS 189 -9.332 3.329 3.329 975 1HB HIS 189 1HB HIS 189 -10.425 5.493 5.493 976 2HB HIS 189 2HB HIS 189 -9.949 6.199 6.199 977 HD1 HIS 189 HD1 HIS 189 -10.697 3.050 3.050 978 HD2 HIS 189 HD2 HIS 189 -13.067 6.046 6.046 979 HE1 HIS 189 HE1 HIS 189 -13.057 2.600 2.600 980 H ALA 190 H ALA 190 -6.955 5.543 5.543 981 HA ALA 190 HA ALA 190 -7.462 5.217 5.217 982 1HB ALA 190 3HB ALA 190 -5.829 6.859 6.859 983 2HB ALA 190 2HB ALA 190 -4.745 5.949 5.949 984 3HB ALA 190 1HB ALA 190 -6.046 6.922 6.922 985 H VAL 191 H VAL 191 -4.814 4.103 4.103 986 HA VAL 191 HA VAL 191 -3.496 2.473 2.473 987 HB VAL 191 HB VAL 191 -3.908 1.810 1.810 988 1HG1 VAL 191 2HG2 VAL 191 -2.076 0.871 0.871 989 2HG1 VAL 191 1HG2 VAL 191 -1.416 1.054 1.054 990 3HG1 VAL 191 3HG2 VAL 191 -2.794 -0.011 -0.011 991 1HG2 VAL 191 2HG1 VAL 191 -1.942 3.679 3.679 992 2HG2 VAL 191 1HG1 VAL 191 -3.178 4.091 4.091 993 3HG2 VAL 191 3HG1 VAL 191 -1.802 3.096 3.096 994 H GLY 192 H GLY 192 -6.167 1.543 1.543 995 1HA GLY 192 1HA GLY 192 -6.372 -1.135 -1.135 996 2HA GLY 192 2HA GLY 192 -7.755 -0.110 -0.110 997 H CYS 193 H CYS 193 -7.403 1.566 1.566 998 HA CYS 193 HA CYS 193 -8.809 -0.071 -0.071 999 1HB CYS 193 2HB CYS 193 -9.064 2.494 2.494 1000 2HB CYS 193 1HB CYS 193 -7.787 2.669 2.669 1001 HG CYS 193 HG CYS 193 -9.875 1.058 1.058 1002 H ALA 194 H ALA 194 -5.561 1.077 1.077 1003 HA ALA 194 HA ALA 194 -4.553 0.801 0.801 1004 1HB ALA 194 3HB ALA 194 -3.511 1.453 1.453 1005 2HB ALA 194 2HB ALA 194 -2.673 -0.041 -0.041 1006 3HB ALA 194 1HB ALA 194 -2.611 1.340 1.340 1007 H PHE 195 H PHE 195 -4.769 -1.569 -1.569 1008 HA PHE 195 HA PHE 195 -3.518 -3.714 -3.714 1009 1HB PHE 195 1HB PHE 195 -5.688 -3.496 -3.496 1010 2HB PHE 195 2HB PHE 195 -5.235 -5.080 -5.080 1011 HD1 PHE 195 HD2 PHE 195 -4.072 -2.149 -2.149 1012 HD2 PHE 195 HD1 PHE 195 -3.160 -6.101 -6.101 1013 HE1 PHE 195 HE2 PHE 195 -2.186 -2.226 -2.226 1014 HE2 PHE 195 HE1 PHE 195 -1.272 -6.185 -6.185 1015 HZ PHE 195 HZ PHE 195 -0.784 -4.247 -4.247 1016 H ALA 196 H ALA 196 -6.633 -2.319 -2.319 1017 HA ALA 196 HA ALA 196 -8.038 -4.366 -4.366 1018 1HB ALA 196 2HB ALA 196 -8.683 -1.891 -1.891 1019 2HB ALA 196 1HB ALA 196 -8.040 -1.636 -1.636 1020 3HB ALA 196 3HB ALA 196 -9.384 -2.751 -2.751 1021 H VAL 197 H VAL 197 -5.270 -2.625 -2.625 1022 HA VAL 197 HA VAL 197 -5.515 -3.669 -3.669 1023 HB VAL 197 HB VAL 197 -3.270 -2.107 -2.107 1024 1HG1 VAL 197 1HG2 VAL 197 -3.227 -3.620 -3.620 1025 2HG1 VAL 197 3HG2 VAL 197 -3.443 -1.954 -1.954 1026 3HG1 VAL 197 2HG2 VAL 197 -2.071 -2.379 -2.379 1027 1HG2 VAL 197 1HG1 VAL 197 -5.675 -1.308 -1.308 1028 2HG2 VAL 197 3HG1 VAL 197 -5.097 -0.655 -0.655 1029 3HG2 VAL 197 2HG1 VAL 197 -4.225 -0.304 -0.304 1030 H CYS 198 H CYS 198 -3.791 -4.363 -4.363 1031 HA CYS 198 HA CYS 198 -1.769 -6.027 -6.027 1032 1HB CYS 198 1HB CYS 198 -2.205 -5.239 -5.239 1033 2HB CYS 198 2HB CYS 198 -3.362 -6.560 -6.560 1034 HG CYS 198 HG CYS 198 -0.777 -7.059 -7.059 1035 H LEU 199 H LEU 199 -5.118 -6.836 -6.836 1036 HA LEU 199 HA LEU 199 -4.762 -9.505 -9.505 1037 1HB LEU 199 1HB LEU 199 -7.275 -9.619 -9.619 1038 2HB LEU 199 2HB LEU 199 -5.924 -9.876 -9.876 1039 HG LEU 199 HG LEU 199 -7.090 -7.133 -7.133 1040 1HD1 LEU 199 2HD2 LEU 199 -8.176 -9.346 -9.346 1041 2HD1 LEU 199 1HD2 LEU 199 -8.607 -7.642 -7.642 1042 3HD1 LEU 199 3HD2 LEU 199 -9.014 -8.537 -8.537 1043 1HD2 LEU 199 1HD1 LEU 199 -4.932 -7.872 -7.872 1044 2HD2 LEU 199 3HD1 LEU 199 -6.041 -6.686 -6.686 1045 3HD2 LEU 199 2HD1 LEU 199 -6.101 -8.365 -8.365 1046 H GLU 200 H GLU 200 -6.205 -6.436 -6.436 1047 HA GLU 200 HA GLU 200 -7.407 -5.582 -5.582 1048 1HB GLU 200 1HB GLU 200 -6.926 -7.263 -7.263 1049 2HB GLU 200 2HB GLU 200 -6.076 -5.784 -5.784 1050 1HG GLU 200 2HG GLU 200 -4.629 -7.330 -7.330 1051 2HG GLU 200 1HG GLU 200 -5.275 -8.617 -8.617 1052 H ARG 201 H ARG 201 -9.504 -5.616 -5.616 1053 HA ARG 201 HA ARG 201 -11.608 -6.313 -6.313 1054 1HB ARG 201 1HB ARG 201 -10.039 -8.132 -8.132 1055 2HB ARG 201 2HB ARG 201 -11.082 -9.156 -9.156 1056 1HG ARG 201 1HG ARG 201 -12.159 -6.932 -6.932 1057 2HG ARG 201 2HG ARG 201 -11.901 -8.566 -8.566 1058 1HD ARG 201 2HD ARG 201 -14.017 -8.891 -8.891 1059 2HD ARG 201 1HD ARG 201 -13.263 -9.106 -9.106 1060 HE ARG 201 HE ARG 201 -13.735 -6.420 -6.420 1061 1HH1 ARG 201 2HH1 ARG 201 -15.680 -9.296 -9.296 1062 2HH1 ARG 201 1HH1 ARG 201 -17.114 -8.535 -8.535 1063 1HH2 ARG 201 1HH2 ARG 201 -15.619 -5.406 -5.406 1064 2HH2 ARG 201 2HH2 ARG 201 -17.080 -6.323 -6.323 1065 H LYS 202 H LYS 202 -10.265 -6.553 -6.553 1066 HA LYS 202 HA LYS 202 -10.654 -7.368 -7.368 1067 1HB LYS 202 1HB LYS 202 -13.459 -7.763 -7.763 1068 2HB LYS 202 2HB LYS 202 -12.980 -7.515 -7.515 1069 1HG LYS 202 2HG LYS 202 -12.659 -5.494 -5.494 1070 2HG LYS 202 1HG LYS 202 -13.961 -5.506 -5.506 1071 1HD LYS 202 1HD LYS 202 -11.208 -5.605 -5.605 1072 2HD LYS 202 2HD LYS 202 -11.694 -4.094 -4.094 1073 1HE LYS 202 2HE LYS 202 -13.863 -4.523 -4.523 1074 2HE LYS 202 1HE LYS 202 -12.664 -5.355 -5.355 1075 1HZ LYS 202 3HZ LYS 202 -11.321 -3.297 -3.297 1076 2HZ LYS 202 2HZ LYS 202 -12.591 -2.519 -2.519 1077 3HZ LYS 202 1HZ LYS 202 -12.811 -3.094 -3.094 1078 H GLN 203 H GLN 203 -9.538 -9.303 -9.303 1079 HA GLN 203 HA GLN 203 -10.968 -11.745 -11.745 1080 1HB GLN 203 1HB GLN 203 -7.985 -11.244 -11.244 1081 2HB GLN 203 2HB GLN 203 -8.750 -12.785 -12.785 1082 1HG GLN 203 1HG GLN 203 -9.735 -10.526 -10.526 1083 2HG GLN 203 2HG GLN 203 -8.037 -10.929 -10.929 1084 1HE2 GLN 203 2HE2 GLN 203 -9.082 -13.245 -13.245 1085 2HE2 GLN 203 1HE2 GLN 203 -8.194 -11.807 -11.807 1086 H ARG 204 H ARG 204 -11.816 -11.419 -11.419 1087 HA ARG 204 HA ARG 204 -10.141 -11.747 -11.747 1088 1HB ARG 204 1HB ARG 204 -12.867 -11.280 -11.280 1089 2HB ARG 204 2HB ARG 204 -12.805 -12.779 -12.779 1090 1HG ARG 204 1HG ARG 204 -12.324 -11.707 -11.707 1091 2HG ARG 204 2HG ARG 204 -11.037 -10.778 -10.778 1092 1HD ARG 204 1HD ARG 204 -12.315 -8.965 -8.965 1093 2HD ARG 204 2HD ARG 204 -13.584 -9.845 -9.845 1094 HE ARG 204 HE ARG 204 -13.755 -10.549 -10.549 1095 1HH1 ARG 204 1HH2 ARG 204 -14.101 -7.692 -7.692 1096 2HH1 ARG 204 2HH2 ARG 204 -15.252 -6.948 -6.948 1097 1HH2 ARG 204 1HH1 ARG 204 -15.271 -9.578 -9.578 1098 2HH2 ARG 204 2HH1 ARG 204 -15.917 -8.020 -8.020 1099 H ARG 205 H ARG 205 -8.936 -13.464 -13.464 1100 HA ARG 205 HA ARG 205 -9.544 -16.059 -16.059 1101 1HB ARG 205 2HB ARG 205 -7.251 -14.747 -14.747 1102 2HB ARG 205 1HB ARG 205 -7.514 -16.054 -16.054 1103 1HG ARG 205 2HG ARG 205 -6.650 -17.502 -17.502 1104 2HG ARG 205 1HG ARG 205 -7.873 -17.078 -17.078 1105 1HD ARG 205 1HD ARG 205 -6.317 -14.998 -14.998 1106 2HD ARG 205 2HD ARG 205 -5.094 -16.053 -16.053 1107 HE ARG 205 HE ARG 205 -6.304 -17.559 -17.559 1108 1HH1 ARG 205 2HH2 ARG 205 -4.628 -14.510 -14.510 1109 2HH1 ARG 205 1HH2 ARG 205 -4.016 -14.635 -14.635 1110 1HH2 ARG 205 2HH1 ARG 205 -5.504 -17.736 -17.736 1111 2HH2 ARG 205 1HH1 ARG 205 -4.515 -16.471 -16.471 1112 H THR 206 H THR 206 -11.201 -17.142 -17.142 1113 HA THR 206 HA THR 206 -11.059 -17.889 -17.889 1114 HB THR 206 HB THR 206 -13.288 -17.161 -17.161 1115 HG1 THR 206 1HG THR 206 -13.404 -16.294 -16.294 1116 1HG2 THR 206 1HG2 THR 206 -11.406 -15.489 -15.489 1117 2HG2 THR 206 3HG2 THR 206 -12.046 -14.771 -14.771 1118 3HG2 THR 206 2HG2 THR 206 -13.045 -14.836 -14.836 1119 H ARG 207 H ARG 207 -10.563 -19.739 -19.739 1120 HA ARG 207 HA ARG 207 -12.467 -20.989 -20.989 1121 1HB ARG 207 2HB ARG 207 -9.960 -21.726 -21.726 1122 2HB ARG 207 1HB ARG 207 -11.077 -23.083 -23.083 1123 1HG ARG 207 1HG ARG 207 -10.061 -21.452 -21.452 1124 2HG ARG 207 2HG ARG 207 -9.718 -23.146 -23.146 1125 1HD ARG 207 1HD ARG 207 -11.516 -23.786 -23.786 1126 2HD ARG 207 2HD ARG 207 -12.546 -22.773 -22.773 1127 HE ARG 207 HE ARG 207 -12.740 -21.374 -21.374 1128 1HH1 ARG 207 1HH1 ARG 207 -9.710 -23.067 -23.067 1129 2HH1 ARG 207 2HH1 ARG 207 -9.287 -22.332 -22.332 1130 1HH2 ARG 207 2HH2 ARG 207 -12.195 -20.400 -20.400 1131 2HH2 ARG 207 1HH2 ARG 207 -10.701 -20.815 -20.815 1132 H ALA 208 H ALA 208 -11.725 -21.748 -21.748 1133 HA ALA 208 HA ALA 208 -12.985 -22.647 -22.647 1134 1HB ALA 208 2HB ALA 208 -14.735 -20.897 -20.897 1135 2HB ALA 208 1HB ALA 208 -15.640 -22.281 -22.281 1136 3HB ALA 208 3HB ALA 208 -14.706 -21.275 -21.275 1137 H ALA 209 H ALA 209 -12.256 -24.760 -24.760 1138 HA ALA 209 HA ALA 209 -14.343 -26.369 -26.369 1139 1HB ALA 209 2HB ALA 209 -11.415 -26.356 -26.356 1140 2HB ALA 209 1HB ALA 209 -12.160 -27.952 -27.952 1141 3HB ALA 209 3HB ALA 209 -12.653 -26.823 -26.823 1142 H ALA 210 H ALA 210 -15.391 -26.536 -26.536 1143 HA ALA 210 HA ALA 210 -14.090 -27.797 -27.797 1144 1HB ALA 210 2HB ALA 210 -16.146 -26.274 -26.274 1145 2HB ALA 210 1HB ALA 210 -17.062 -27.715 -27.715 1146 3HB ALA 210 3HB ALA 210 -16.144 -27.682 -27.682 1147 1H ALA 1 2HT ALA 1 -11.994 -8.126 -8.126 1148 2H ALA 1 1HT ALA 1 -12.279 -7.692 -7.692 1149 3H ALA 1 3HT ALA 1 -13.601 -7.949 -7.949 1150 HA ALA 1 HA ALA 1 -13.441 -5.692 -5.692 1151 1HB ALA 1 3HB ALA 1 -10.735 -6.246 -6.246 1152 2HB ALA 1 2HB ALA 1 -10.762 -5.121 -5.121 1153 3HB ALA 1 1HB ALA 1 -11.596 -4.713 -4.713 1154 H TYR 2 H TYR 2 -10.779 -6.524 -6.524 1155 HA TYR 2 HA TYR 2 -12.597 -6.044 -6.044 1156 1HB TYR 2 1HB TYR 2 -10.025 -5.172 -5.172 1157 2HB TYR 2 2HB TYR 2 -11.488 -4.215 -4.215 1158 HD1 TYR 2 HD1 TYR 2 -9.001 -5.717 -5.717 1159 HD2 TYR 2 HD2 TYR 2 -11.145 -2.258 -2.258 1160 HE1 TYR 2 HE1 TYR 2 -7.946 -4.417 -4.417 1161 HE2 TYR 2 HE2 TYR 2 -10.093 -0.950 -0.950 1162 HH TYR 2 HH2 TYR 2 -8.930 -1.138 -1.138 1163 H ILE 3 H ILE 3 -9.115 -6.667 -6.667 1164 HA ILE 3 HA ILE 3 -9.631 -9.336 -9.336 1165 HB ILE 3 HB ILE 3 -7.724 -7.278 -7.278 1166 1HG1 ILE 3 1HG1 ILE 3 -9.275 -8.260 -8.260 1167 2HG1 ILE 3 2HG1 ILE 3 -10.408 -8.240 -8.240 1168 1HG2 ILE 3 3HG2 ILE 3 -7.324 -10.029 -10.029 1169 2HG2 ILE 3 2HG2 ILE 3 -7.985 -9.707 -9.707 1170 3HG2 ILE 3 1HG2 ILE 3 -6.533 -8.866 -8.866 1171 1HD1 ILE 3 1HD1 ILE 3 -8.768 -5.870 -5.870 1172 2HD1 ILE 3 3HD1 ILE 3 -10.418 -6.184 -6.184 1173 3HD1 ILE 3 2HD1 ILE 3 -10.085 -5.903 -5.903 1174 H GLY 4 H GLY 4 -6.941 -7.213 -7.213 1175 1HA GLY 4 2HA GLY 4 -5.065 -9.079 -9.079 1176 2HA GLY 4 1HA GLY 4 -5.276 -7.593 -7.593 1177 HA PRO 5 HA PRO 5 -6.962 -9.947 -9.947 1178 1HB PRO 5 1HB PRO 5 -9.102 -8.649 -8.649 1179 2HB PRO 5 2HB PRO 5 -7.541 -7.824 -7.824 1180 1HG PRO 5 1HG PRO 5 -9.850 -7.687 -7.687 1181 2HG PRO 5 2HG PRO 5 -8.838 -6.378 -6.378 1182 1HD PRO 5 2HD PRO 5 -8.481 -7.581 -7.581 1183 2HD PRO 5 1HD PRO 5 -7.216 -6.715 -6.715 1184 1HN PTR 6 H PTR 6 -9.375 -9.431 -9.431 1185 HA PTR 6 HA PTR 6 -11.306 -11.248 -11.248 1186 1HB PTR 6 1HB PTR 6 -11.011 -10.600 -10.600 1187 2HB PTR 6 2HB PTR 6 -11.532 -9.363 -9.363 1188 HD1 PTR 6 HD1 PTR 6 -12.486 -12.354 -12.354 1189 HD2 PTR 6 HD2 PTR 6 -13.674 -9.615 -9.615 1190 HE1 PTR 6 HE1 PTR 6 -14.856 -12.945 -12.945 1191 HE2 PTR 6 HE2 PTR 6 -15.991 -10.427 -10.427 1192 H LEU 7 H LEU 7 -9.362 -11.633 -11.633 1193 HA LEU 7 HA LEU 7 -9.851 -14.264 -14.264 1194 1HB LEU 7 2HB LEU 7 -7.088 -13.128 -13.128 1195 2HB LEU 7 1HB LEU 7 -7.892 -14.332 -14.332 1196 HG LEU 7 HG LEU 7 -8.442 -11.376 -11.376 1197 1HD1 LEU 7 1HD1 LEU 7 -7.424 -13.278 -13.278 1198 2HD1 LEU 7 3HD1 LEU 7 -8.057 -11.683 -11.683 1199 3HD1 LEU 7 2HD1 LEU 7 -6.644 -11.833 -11.833 1200 1HD2 LEU 7 1HD2 LEU 7 -10.271 -13.523 -13.523 1201 2HD2 LEU 7 3HD2 LEU 7 -10.563 -11.784 -11.784 1202 3HD2 LEU 7 2HD2 LEU 7 -10.018 -12.543 -12.543
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