NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
10186 | 1pce | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLU 1 2HN GLU 1 12.028 -5.965 -5.965 2 2H GLU 1 3HN GLU 1 12.190 -7.577 -7.577 3 3H GLU 1 1HN GLU 1 13.473 -6.691 -6.691 4 HA GLU 1 HA GLU 1 13.688 -5.636 -5.636 5 1HB GLU 1 1HB GLU 1 13.244 -8.641 -8.641 6 2HB GLU 1 2HB GLU 1 14.001 -7.618 -7.618 7 1HG GLU 1 1HG GLU 1 15.185 -7.688 -7.688 8 2HG GLU 1 2HG GLU 1 15.533 -8.936 -8.936 9 H LYS 2 H LYS 2 10.684 -7.578 -7.578 10 HA LYS 2 HA LYS 2 8.897 -7.683 -7.683 11 1HB LYS 2 1HB LYS 2 7.891 -5.477 -5.477 12 2HB LYS 2 2HB LYS 2 8.086 -5.781 -5.781 13 1HG LYS 2 1HG LYS 2 9.833 -4.221 -4.221 14 2HG LYS 2 2HG LYS 2 10.104 -4.038 -4.038 15 1HD LYS 2 1HD LYS 2 8.041 -2.941 -2.941 16 2HD LYS 2 2HD LYS 2 7.483 -3.283 -3.283 17 1HE LYS 2 1HE LYS 2 8.988 -1.748 -1.748 18 2HE LYS 2 2HE LYS 2 10.001 -1.647 -1.647 19 1HZ LYS 2 3HZ LYS 2 7.223 -0.630 -0.630 20 2HZ LYS 2 1HZ LYS 2 8.415 0.264 0.264 21 3HZ LYS 2 2HZ LYS 2 8.532 -0.288 -0.288 22 H GLN 3 H GLN 3 9.436 -5.055 -5.055 23 HA GLN 3 HA GLN 3 9.894 -4.856 -4.856 24 1HB GLN 3 1HB GLN 3 11.947 -4.322 -4.322 25 2HB GLN 3 2HB GLN 3 12.457 -6.017 -6.017 26 1HG GLN 3 1HG GLN 3 13.568 -4.578 -4.578 27 2HG GLN 3 2HG GLN 3 12.934 -6.130 -6.130 28 1HE2 GLN 3 2HE2 GLN 3 11.081 -2.704 -2.704 29 2HE2 GLN 3 1HE2 GLN 3 12.179 -2.624 -2.624 30 H VAL 4 H VAL 4 11.824 -7.858 -7.858 31 HA VAL 4 HA VAL 4 10.997 -8.563 -8.563 32 HB VAL 4 HB VAL 4 12.194 -10.425 -10.425 33 1HG1 VAL 4 3HG1 VAL 4 12.217 -10.374 -10.374 34 2HG1 VAL 4 1HG1 VAL 4 13.100 -11.538 -11.538 35 3HG1 VAL 4 2HG1 VAL 4 11.334 -11.522 -11.522 36 1HG2 VAL 4 1HG2 VAL 4 13.562 -8.511 -8.511 37 2HG2 VAL 4 2HG2 VAL 4 13.626 -8.409 -8.409 38 3HG2 VAL 4 3HG2 VAL 4 14.384 -9.755 -9.755 39 H PHE 5 H PHE 5 9.878 -9.524 -9.524 40 HA PHE 5 HA PHE 5 7.954 -11.441 -11.441 41 1HB PHE 5 1HB PHE 5 8.259 -10.331 -10.331 42 2HB PHE 5 2HB PHE 5 7.299 -11.722 -11.722 43 HD1 PHE 5 HD1 PHE 5 8.543 -13.648 -13.648 44 HD2 PHE 5 HD2 PHE 5 10.592 -10.612 -10.612 45 HE1 PHE 5 HE1 PHE 5 10.607 -15.011 -15.011 46 HE2 PHE 5 HE2 PHE 5 12.678 -11.949 -11.949 47 HZ PHE 5 HZ PHE 5 12.684 -14.156 -14.156 48 H SER 6 H SER 6 7.319 -9.368 -9.368 49 HA SER 6 HA SER 6 5.050 -7.888 -7.888 50 1HB SER 6 1HB SER 6 5.470 -6.310 -6.310 51 2HB SER 6 2HB SER 6 6.720 -6.355 -6.355 52 HG SER 6 HG SER 6 8.005 -7.545 -7.545 53 H ARG 7 H ARG 7 3.524 -7.191 -7.191 54 HA ARG 7 HA ARG 7 2.929 -9.560 -9.560 55 1HB ARG 7 1HB ARG 7 0.785 -7.568 -7.568 56 2HB ARG 7 2HB ARG 7 0.706 -9.253 -9.253 57 1HG ARG 7 1HG ARG 7 1.478 -9.904 -9.904 58 2HG ARG 7 2HG ARG 7 1.508 -8.196 -8.196 59 1HD ARG 7 1HD ARG 7 -0.494 -8.941 -8.941 60 2HD ARG 7 2HD ARG 7 -0.951 -8.042 -8.042 61 HE ARG 7 HE ARG 7 -1.315 -10.096 -10.096 62 1HH1 ARG 7 2HH2 ARG 7 -1.433 -10.353 -10.353 63 2HH1 ARG 7 1HH2 ARG 7 -2.053 -11.966 -11.966 64 1HH2 ARG 7 2HH1 ARG 7 -2.398 -11.977 -11.977 65 2HH2 ARG 7 1HH1 ARG 7 -2.763 -12.901 -12.901 66 H MET 8 H MET 8 3.304 -8.991 -8.991 67 HA MET 8 HA MET 8 4.051 -6.239 -6.239 68 1HB MET 8 1HB MET 8 5.344 -7.721 -7.721 69 2HB MET 8 2HB MET 8 4.007 -8.818 -8.818 70 1HG MET 8 1HG MET 8 3.138 -7.540 -7.540 71 2HG MET 8 2HG MET 8 3.852 -6.005 -6.005 72 1HE MET 8 2HE MET 8 6.830 -6.353 -6.353 73 2HE MET 8 3HE MET 8 7.442 -5.998 -5.998 74 3HE MET 8 1HE MET 8 6.115 -5.029 -5.029 75 HA PRO 9 HA PRO 9 -0.357 -5.515 -5.515 76 1HB PRO 9 1HB PRO 9 -0.368 -2.887 -2.887 77 2HB PRO 9 2HB PRO 9 0.081 -3.467 -3.467 78 1HG PRO 9 1HG PRO 9 2.031 -2.803 -2.803 79 2HG PRO 9 2HG PRO 9 2.065 -2.176 -2.176 80 1HD PRO 9 1HD PRO 9 3.540 -4.289 -4.289 81 2HD PRO 9 2HD PRO 9 2.715 -4.265 -4.265 82 H ILE 10 H ILE 10 -1.657 -5.781 -5.781 83 HA ILE 10 HA ILE 10 -0.311 -6.258 -6.258 84 HB ILE 10 HB ILE 10 -3.217 -6.337 -6.337 85 1HG1 ILE 10 1HG1 ILE 10 -1.758 -8.063 -8.063 86 2HG1 ILE 10 2HG1 ILE 10 -2.994 -8.719 -8.719 87 1HG2 ILE 10 1HG2 ILE 10 -2.006 -7.116 -7.116 88 2HG2 ILE 10 2HG2 ILE 10 -3.613 -7.613 -7.613 89 3HG2 ILE 10 3HG2 ILE 10 -3.253 -5.899 -5.899 90 1HD1 ILE 10 1HD1 ILE 10 -1.297 -9.099 -9.099 91 2HD1 ILE 10 2HD1 ILE 10 -0.037 -8.422 -8.422 92 3HD1 ILE 10 3HD1 ILE 10 -0.869 -9.908 -9.908 93 H CYS 11 H CYS 11 -0.011 -4.906 -4.906 94 HA CYS 11 HA CYS 11 -1.159 -2.124 -2.124 95 1HB CYS 11 1HB CYS 11 1.666 -3.141 -3.141 96 2HB CYS 11 2HB CYS 11 1.253 -1.707 -1.707 97 H GLU 12 H GLU 12 -2.668 -2.604 -2.604 98 HA GLU 12 HA GLU 12 -1.662 -1.796 -1.796 99 1HB GLU 12 1HB GLU 12 -2.447 -3.614 -3.614 100 2HB GLU 12 2HB GLU 12 -1.150 -4.186 -4.186 101 1HG GLU 12 1HG GLU 12 -2.770 -5.294 -5.294 102 2HG GLU 12 2HG GLU 12 -4.123 -4.702 -4.702 103 H HIS 13 H HIS 13 -3.802 -2.162 -2.162 104 HA HIS 13 HA HIS 13 -6.321 -1.914 -1.914 105 1HB HIS 13 1HB HIS 13 -5.742 0.362 0.362 106 2HB HIS 13 2HB HIS 13 -5.525 -0.278 -0.278 107 HD1 HIS 13 HD1 HIS 13 -8.266 0.731 0.731 108 HD2 HIS 13 HD2 HIS 13 -7.837 -1.212 -1.212 109 HE1 HIS 13 HE1 HIS 13 -10.613 0.420 0.420 110 HE2 HIS 13 HE2 HIS 13 -10.358 -0.811 -0.811 111 H MET 14 H MET 14 -6.930 -4.098 -4.098 112 HA MET 14 HA MET 14 -6.277 -5.421 -5.421 113 1HB MET 14 1HB MET 14 -8.495 -5.863 -5.863 114 2HB MET 14 2HB MET 14 -8.309 -6.900 -6.900 115 1HG MET 14 1HG MET 14 -5.841 -6.502 -6.502 116 2HG MET 14 2HG MET 14 -7.162 -7.392 -7.392 117 1HE MET 14 2HE MET 14 -4.828 -7.310 -7.310 118 2HE MET 14 3HE MET 14 -5.188 -8.903 -8.903 119 3HE MET 14 1HE MET 14 -6.422 -7.628 -7.628 120 H THR 15 H THR 15 -7.689 -5.949 -5.949 121 HA THR 15 HA THR 15 -9.161 -3.779 -3.779 122 HB THR 15 HB THR 15 -10.023 -5.893 -5.893 123 HG1 THR 15 HG1 THR 15 -8.713 -7.716 -7.716 124 1HG2 THR 15 1HG2 THR 15 -7.049 -5.176 -5.176 125 2HG2 THR 15 2HG2 THR 15 -7.867 -6.012 -6.012 126 3HG2 THR 15 3HG2 THR 15 -8.293 -4.335 -4.335 127 H GLU 16 H GLU 16 -10.109 -6.877 -6.877 128 HA GLU 16 HA GLU 16 -12.905 -6.148 -6.148 129 1HB GLU 16 1HB GLU 16 -11.963 -8.451 -8.451 130 2HB GLU 16 2HB GLU 16 -11.394 -8.471 -8.471 131 1HG GLU 16 1HG GLU 16 -14.023 -7.896 -7.896 132 2HG GLU 16 2HG GLU 16 -14.159 -8.796 -8.796 133 H SER 17 H SER 17 -11.803 -4.076 -4.076 134 HA SER 17 HA SER 17 -12.906 -4.719 -4.719 135 1HB SER 17 1HB SER 17 -11.140 -4.047 -4.047 136 2HB SER 17 2HB SER 17 -10.653 -5.444 -5.444 137 HG SER 17 HG SER 17 -8.944 -4.093 -4.093 138 HA PRO 18 HA PRO 18 -13.825 -0.403 -0.403 139 1HB PRO 18 1HB PRO 18 -16.178 -0.122 -0.122 140 2HB PRO 18 2HB PRO 18 -16.023 -1.088 -1.088 141 1HG PRO 18 1HG PRO 18 -16.145 -2.121 -2.121 142 2HG PRO 18 2HG PRO 18 -16.924 -2.748 -2.748 143 1HD PRO 18 1HD PRO 18 -14.504 -3.657 -3.657 144 2HD PRO 18 2HD PRO 18 -15.019 -3.918 -3.918 145 H ASP 19 H ASP 19 -15.260 -0.440 -0.440 146 HA ASP 19 HA ASP 19 -13.330 1.472 1.472 147 1HB ASP 19 1HB ASP 19 -15.814 1.393 1.393 148 2HB ASP 19 2HB ASP 19 -15.538 -0.083 -0.083 149 H CYS 20 H CYS 20 -12.271 0.977 0.977 150 HA CYS 20 HA CYS 20 -11.306 -1.835 -1.835 151 1HB CYS 20 1HB CYS 20 -10.572 0.790 0.790 152 2HB CYS 20 2HB CYS 20 -10.198 -0.770 -0.770 153 H SER 21 H SER 21 -13.734 -2.038 -2.038 154 HA SER 21 HA SER 21 -15.821 -1.503 -1.503 155 1HB SER 21 1HB SER 21 -15.352 -3.836 -3.836 156 2HB SER 21 2HB SER 21 -14.934 -4.254 -4.254 157 HG SER 21 HG SER 21 -17.028 -3.691 -3.691 158 H ARG 22 H ARG 22 -14.774 0.130 0.130 159 HA ARG 22 HA ARG 22 -14.065 0.674 0.674 160 1HB ARG 22 1HB ARG 22 -17.068 0.290 0.290 161 2HB ARG 22 2HB ARG 22 -16.081 1.167 1.167 162 1HG ARG 22 1HG ARG 22 -15.129 2.503 2.503 163 2HG ARG 22 2HG ARG 22 -16.353 1.819 1.819 164 1HD ARG 22 1HD ARG 22 -18.104 2.986 2.986 165 2HD ARG 22 2HD ARG 22 -16.945 3.472 3.472 166 HE ARG 22 HE ARG 22 -15.894 4.323 4.323 167 1HH1 ARG 22 2HH2 ARG 22 -18.624 5.179 5.179 168 2HH1 ARG 22 1HH2 ARG 22 -18.629 6.841 6.841 169 1HH2 ARG 22 2HH1 ARG 22 -15.725 6.618 6.618 170 2HH2 ARG 22 1HH1 ARG 22 -17.080 7.623 7.623 171 H ILE 23 H ILE 23 -12.981 -1.464 -1.464 172 HA ILE 23 HA ILE 23 -13.630 -3.490 -3.490 173 HB ILE 23 HB ILE 23 -11.137 -2.948 -2.948 174 1HG1 ILE 23 1HG1 ILE 23 -13.359 -5.025 -5.025 175 2HG1 ILE 23 2HG1 ILE 23 -13.219 -3.543 -3.543 176 1HG2 ILE 23 3HG2 ILE 23 -10.628 -4.248 -4.248 177 2HG2 ILE 23 1HG2 ILE 23 -11.874 -5.420 -5.420 178 3HG2 ILE 23 2HG2 ILE 23 -10.418 -5.205 -5.205 179 1HD1 ILE 23 3HD1 ILE 23 -10.967 -4.288 -4.288 180 2HD1 ILE 23 1HD1 ILE 23 -11.284 -5.869 -5.869 181 3HD1 ILE 23 2HD1 ILE 23 -12.346 -5.277 -5.277 182 H TYR 24 H TYR 24 -13.873 -2.312 -2.312 183 HA TYR 24 HA TYR 24 -11.789 -0.487 -0.487 184 1HB TYR 24 1HB TYR 24 -14.305 -0.553 -0.553 185 2HB TYR 24 2HB TYR 24 -13.858 -1.782 -1.782 186 HD1 TYR 24 HD2 TYR 24 -11.980 -1.065 -1.065 187 HD2 TYR 24 HD1 TYR 24 -14.085 1.685 1.685 188 HE1 TYR 24 HE2 TYR 24 -11.358 0.812 0.812 189 HE2 TYR 24 HE1 TYR 24 -13.520 3.550 3.550 190 HH TYR 24 HH TYR 24 -12.944 3.939 3.939 191 H ASP 25 H ASP 25 -9.828 -1.203 -1.203 192 HA ASP 25 HA ASP 25 -9.662 -3.593 -3.593 193 1HB ASP 25 1HB ASP 25 -9.886 -4.528 -4.528 194 2HB ASP 25 2HB ASP 25 -8.405 -3.693 -3.693 195 HA PRO 26 HA PRO 26 -6.535 -0.349 -0.349 196 1HB PRO 26 1HB PRO 26 -6.126 -0.332 -0.332 197 2HB PRO 26 2HB PRO 26 -7.391 0.584 0.584 198 1HG PRO 26 1HG PRO 26 -7.628 -2.036 -2.036 199 2HG PRO 26 2HG PRO 26 -8.797 -0.690 -0.690 200 1HD PRO 26 1HD PRO 26 -8.942 -2.999 -2.999 201 2HD PRO 26 2HD PRO 26 -9.669 -1.440 -1.440 202 H VAL 27 H VAL 27 -4.208 -0.363 -0.363 203 HA VAL 27 HA VAL 27 -2.994 -2.809 -2.809 204 HB VAL 27 HB VAL 27 -1.578 -3.229 -3.229 205 1HG1 VAL 27 1HG1 VAL 27 -3.680 -4.416 -4.416 206 2HG1 VAL 27 2HG1 VAL 27 -4.350 -3.143 -3.143 207 3HG1 VAL 27 3HG1 VAL 27 -2.961 -4.091 -4.091 208 1HG2 VAL 27 3HG2 VAL 27 -2.529 -0.639 -0.639 209 2HG2 VAL 27 1HG2 VAL 27 -0.929 -1.359 -1.359 210 3HG2 VAL 27 2HG2 VAL 27 -2.105 -1.918 -1.918 211 H CYS 28 H CYS 28 -0.688 -2.359 -2.359 212 HA CYS 28 HA CYS 28 -0.116 0.576 0.576 213 1HB CYS 28 1HB CYS 28 -0.046 -0.862 -0.862 214 2HB CYS 28 2HB CYS 28 1.265 -1.796 -1.796 215 H GLY 29 H GLY 29 1.310 1.457 1.457 216 1HA GLY 29 1HA GLY 29 2.655 -0.314 -0.314 217 2HA GLY 29 2HA GLY 29 2.652 1.442 1.442 218 H THR 30 H THR 30 5.018 -0.158 -0.158 219 HA THR 30 HA THR 30 6.710 -0.238 -0.238 220 HB THR 30 HB THR 30 8.528 0.011 0.011 221 HG1 THR 30 HG1 THR 30 7.376 0.974 0.974 222 1HG2 THR 30 2HG2 THR 30 6.513 -2.266 -2.266 223 2HG2 THR 30 3HG2 THR 30 8.119 -2.266 -2.266 224 3HG2 THR 30 1HG2 THR 30 7.971 -2.176 -2.176 225 H ASP 31 H ASP 31 5.459 2.473 2.473 226 HA ASP 31 HA ASP 31 7.519 4.398 4.398 227 1HB ASP 31 1HB ASP 31 5.788 5.970 5.970 228 2HB ASP 31 2HB ASP 31 6.059 4.682 4.682 229 H GLY 32 H GLY 32 4.787 2.744 2.744 230 1HA GLY 32 1HA GLY 32 4.419 2.615 2.615 231 2HA GLY 32 2HA GLY 32 5.371 4.078 4.078 232 H VAL 33 H VAL 33 3.080 4.594 4.594 233 HA VAL 33 HA VAL 33 1.137 5.721 5.721 234 HB VAL 33 HB VAL 33 1.369 6.250 6.250 235 1HG1 VAL 33 3HG1 VAL 33 -0.255 7.558 7.558 236 2HG1 VAL 33 1HG1 VAL 33 -0.059 8.203 8.203 237 3HG1 VAL 33 2HG1 VAL 33 -0.865 6.656 6.656 238 1HG2 VAL 33 2HG2 VAL 33 2.303 7.825 7.825 239 2HG2 VAL 33 3HG2 VAL 33 3.360 7.158 7.158 240 3HG2 VAL 33 1HG2 VAL 33 2.257 8.486 8.486 241 H THR 34 H THR 34 -1.018 5.144 5.144 242 HA THR 34 HA THR 34 -1.559 2.446 2.446 243 HB THR 34 HB THR 34 -3.428 4.589 4.589 244 HG1 THR 34 HG1 THR 34 -1.747 4.071 4.071 245 1HG2 THR 34 1HG2 THR 34 -3.710 1.563 1.563 246 2HG2 THR 34 2HG2 THR 34 -4.810 2.679 2.679 247 3HG2 THR 34 3HG2 THR 34 -4.636 2.769 2.769 248 H TYR 35 H TYR 35 -2.727 1.903 1.903 249 HA TYR 35 HA TYR 35 -3.950 4.075 4.075 250 1HB TYR 35 1HB TYR 35 -2.567 1.543 1.543 251 2HB TYR 35 2HB TYR 35 -3.560 2.581 2.581 252 HD1 TYR 35 HD2 TYR 35 -0.420 2.545 2.545 253 HD2 TYR 35 HD1 TYR 35 -2.651 4.545 4.545 254 HE1 TYR 35 HE2 TYR 35 1.450 4.114 4.114 255 HE2 TYR 35 HE1 TYR 35 -0.749 6.086 6.086 256 HH TYR 35 HH TYR 35 1.389 6.640 6.640 257 H GLU 36 H GLU 36 -6.025 3.586 3.586 258 HA GLU 36 HA GLU 36 -7.497 1.900 1.900 259 1HB GLU 36 1HB GLU 36 -8.438 3.728 3.728 260 2HB GLU 36 2HB GLU 36 -9.419 3.092 3.092 261 1HG GLU 36 1HG GLU 36 -8.466 4.451 4.451 262 2HG GLU 36 2HG GLU 36 -6.974 4.744 4.744 263 H SER 37 H SER 37 -6.246 1.267 1.267 264 HA SER 37 HA SER 37 -7.803 -1.166 -1.166 265 1HB SER 37 1HB SER 37 -9.372 0.454 0.454 266 2HB SER 37 2HB SER 37 -8.064 1.035 1.035 267 HG SER 37 HG SER 37 -9.451 -1.398 -1.398 268 H GLU 38 H GLU 38 -6.349 -2.659 -2.659 269 HA GLU 38 HA GLU 38 -3.662 -2.031 -2.031 270 1HB GLU 38 1HB GLU 38 -4.087 -4.309 -4.309 271 2HB GLU 38 2HB GLU 38 -5.503 -4.304 -4.304 272 1HG GLU 38 1HG GLU 38 -4.159 -4.101 -4.101 273 2HG GLU 38 2HG GLU 38 -2.652 -3.977 -3.977 274 H CYS 39 H CYS 39 -6.421 -2.055 -2.055 275 HA CYS 39 HA CYS 39 -5.066 -1.525 -1.525 276 1HB CYS 39 1HB CYS 39 -7.337 -1.978 -1.978 277 2HB CYS 39 2HB CYS 39 -7.835 -0.789 -0.789 278 H LYS 40 H LYS 40 -6.484 0.840 0.840 279 HA LYS 40 HA LYS 40 -5.460 3.163 3.163 280 1HB LYS 40 1HB LYS 40 -6.391 2.671 2.671 281 2HB LYS 40 2HB LYS 40 -5.817 4.243 4.243 282 1HG LYS 40 1HG LYS 40 -7.461 4.429 4.429 283 2HG LYS 40 2HG LYS 40 -8.010 2.758 2.758 284 1HD LYS 40 1HD LYS 40 -9.200 3.165 3.165 285 2HD LYS 40 2HD LYS 40 -8.166 4.495 4.495 286 1HE LYS 40 1HE LYS 40 -9.898 4.771 4.771 287 2HE LYS 40 2HE LYS 40 -10.589 5.018 5.018 288 1HZ LYS 40 2HZ LYS 40 -8.183 6.500 6.500 289 2HZ LYS 40 3HZ LYS 40 -9.698 7.035 7.035 290 3HZ LYS 40 1HZ LYS 40 -9.201 6.764 6.764 291 H LEU 41 H LEU 41 -3.961 1.070 1.070 292 HA LEU 41 HA LEU 41 -1.668 2.721 2.721 293 1HB LEU 41 1HB LEU 41 -2.195 0.746 0.746 294 2HB LEU 41 2HB LEU 41 -1.788 -0.331 -0.331 295 HG LEU 41 HG LEU 41 0.263 1.716 1.716 296 1HD1 LEU 41 2HD1 LEU 41 -0.519 0.543 0.543 297 2HD1 LEU 41 3HD1 LEU 41 -0.160 -1.012 -1.012 298 3HD1 LEU 41 1HD1 LEU 41 1.146 0.133 0.133 299 1HD2 LEU 41 2HD2 LEU 41 0.363 -1.091 -1.091 300 2HD2 LEU 41 3HD2 LEU 41 0.901 0.390 0.390 301 3HD2 LEU 41 1HD2 LEU 41 1.802 -0.225 -0.225 302 H CYS 42 H CYS 42 -2.223 0.051 0.051 303 HA CYS 42 HA CYS 42 0.213 0.479 0.479 304 1HB CYS 42 1HB CYS 42 -2.136 -1.153 -1.153 305 2HB CYS 42 2HB CYS 42 -1.574 -0.489 -0.489 306 H LEU 43 H LEU 43 -3.007 1.883 1.883 307 HA LEU 43 HA LEU 43 -2.342 3.382 3.382 308 1HB LEU 43 1HB LEU 43 -4.203 3.972 3.972 309 2HB LEU 43 2HB LEU 43 -4.207 4.916 4.916 310 HG LEU 43 HG LEU 43 -4.999 1.999 1.999 311 1HD1 LEU 43 1HD1 LEU 43 -6.670 3.709 3.709 312 2HD1 LEU 43 2HD1 LEU 43 -6.512 4.482 4.482 313 3HD1 LEU 43 3HD1 LEU 43 -7.168 2.839 2.839 314 1HD2 LEU 43 2HD2 LEU 43 -4.659 3.646 3.646 315 2HD2 LEU 43 3HD2 LEU 43 -3.794 2.148 2.148 316 3HD2 LEU 43 1HD2 LEU 43 -5.512 2.087 2.087 317 H ALA 44 H ALA 44 -2.034 4.366 4.366 318 HA ALA 44 HA ALA 44 -0.777 6.843 6.843 319 1HB ALA 44 2HB ALA 44 -0.539 4.980 4.980 320 2HB ALA 44 3HB ALA 44 0.025 6.653 6.653 321 3HB ALA 44 1HB ALA 44 -1.707 6.302 6.302 322 H ARG 45 H ARG 45 0.569 3.595 3.595 323 HA ARG 45 HA ARG 45 3.330 4.210 4.210 324 1HB ARG 45 1HB ARG 45 2.113 2.050 2.050 325 2HB ARG 45 2HB ARG 45 2.001 1.728 1.728 326 1HG ARG 45 1HG ARG 45 4.446 1.765 1.765 327 2HG ARG 45 2HG ARG 45 4.541 2.032 2.032 328 1HD ARG 45 1HD ARG 45 3.196 -0.059 -0.059 329 2HD ARG 45 2HD ARG 45 3.100 -0.313 -0.313 330 HE ARG 45 HE ARG 45 5.351 -0.929 -0.929 331 1HH1 ARG 45 2HH2 ARG 45 4.421 -0.140 -0.140 332 2HH1 ARG 45 1HH2 ARG 45 5.633 -1.168 -1.168 333 1HH2 ARG 45 2HH1 ARG 45 7.349 -1.903 -1.903 334 2HH2 ARG 45 1HH1 ARG 45 6.951 -2.430 -2.430 335 H ILE 46 H ILE 46 1.029 3.567 3.567 336 HA ILE 46 HA ILE 46 2.990 3.734 3.734 337 HB ILE 46 HB ILE 46 -0.061 3.881 3.881 338 1HG1 ILE 46 1HG1 ILE 46 1.758 1.612 1.612 339 2HG1 ILE 46 2HG1 ILE 46 1.022 1.673 1.673 340 1HG2 ILE 46 3HG2 ILE 46 1.845 3.635 3.635 341 2HG2 ILE 46 1HG2 ILE 46 0.075 3.504 3.504 342 3HG2 ILE 46 2HG2 ILE 46 0.804 5.022 5.022 343 1HD1 ILE 46 1HD1 ILE 46 -1.247 1.761 1.761 344 2HD1 ILE 46 2HD1 ILE 46 -0.468 1.441 1.441 345 3HD1 ILE 46 3HD1 ILE 46 -0.345 0.260 0.260 346 H GLU 47 H GLU 47 0.531 6.068 6.068 347 HA GLU 47 HA GLU 47 1.128 7.979 7.979 348 1HB GLU 47 1HB GLU 47 -0.211 9.527 9.527 349 2HB GLU 47 2HB GLU 47 -0.928 7.926 7.926 350 1HG GLU 47 1HG GLU 47 0.342 7.858 7.858 351 2HG GLU 47 2HG GLU 47 0.761 9.580 9.580 352 H ASN 48 H ASN 48 2.365 7.588 7.588 353 HA ASN 48 HA ASN 48 4.200 9.822 9.822 354 1HB ASN 48 1HB ASN 48 4.084 7.624 7.624 355 2HB ASN 48 2HB ASN 48 5.119 9.057 9.057 356 1HD2 ASN 48 2HD2 ASN 48 1.156 9.326 9.326 357 2HD2 ASN 48 1HD2 ASN 48 1.880 7.878 7.878 358 H LYS 49 H LYS 49 4.356 6.421 6.421 359 HA LYS 49 HA LYS 49 5.949 5.065 5.065 360 1HB LYS 49 1HB LYS 49 7.647 7.515 7.515 361 2HB LYS 49 2HB LYS 49 7.857 5.862 5.862 362 1HG LYS 49 1HG LYS 49 5.553 5.987 5.987 363 2HG LYS 49 2HG LYS 49 5.432 7.664 7.664 364 1HD LYS 49 1HD LYS 49 6.016 7.587 7.587 365 2HD LYS 49 2HD LYS 49 7.357 8.298 8.298 366 1HE LYS 49 1HE LYS 49 8.758 6.471 6.471 367 2HE LYS 49 2HE LYS 49 7.423 5.309 5.309 368 1HZ LYS 49 2HZ LYS 49 8.162 7.216 7.216 369 2HZ LYS 49 3HZ LYS 49 8.475 5.604 5.604 370 3HZ LYS 49 1HZ LYS 49 6.910 6.127 6.127 371 H GLN 50 H GLN 50 5.879 4.419 4.419 372 HA GLN 50 HA GLN 50 8.527 4.730 4.730 373 1HB GLN 50 1HB GLN 50 5.716 4.816 4.816 374 2HB GLN 50 2HB GLN 50 7.193 4.565 4.565 375 1HG GLN 50 1HG GLN 50 8.107 6.655 6.655 376 2HG GLN 50 2HG GLN 50 6.434 6.996 6.996 377 1HE2 GLN 50 2HE2 GLN 50 7.786 8.075 8.075 378 2HE2 GLN 50 1HE2 GLN 50 8.707 7.959 7.959 379 H ASP 51 H ASP 51 8.938 2.861 2.861 380 HA ASP 51 HA ASP 51 7.848 0.345 0.345 381 1HB ASP 51 1HB ASP 51 10.279 0.665 0.665 382 2HB ASP 51 2HB ASP 51 10.478 0.762 0.762 383 H ILE 52 H ILE 52 6.108 1.423 1.423 384 HA ILE 52 HA ILE 52 6.495 0.904 0.904 385 HB ILE 52 HB ILE 52 3.886 1.232 1.232 386 1HG1 ILE 52 1HG1 ILE 52 5.520 3.269 3.269 387 2HG1 ILE 52 2HG1 ILE 52 5.442 3.186 3.186 388 1HG2 ILE 52 1HG2 ILE 52 3.592 0.163 0.163 389 2HG2 ILE 52 2HG2 ILE 52 4.528 1.472 1.472 390 3HG2 ILE 52 3HG2 ILE 52 2.946 1.793 1.793 391 1HD1 ILE 52 3HD1 ILE 52 2.945 3.566 3.566 392 2HD1 ILE 52 1HD1 ILE 52 3.177 3.915 3.915 393 3HD1 ILE 52 2HD1 ILE 52 3.963 4.924 4.924 394 H GLN 53 H GLN 53 5.880 -1.000 -1.000 395 HA GLN 53 HA GLN 53 4.471 -3.111 -3.111 396 1HB GLN 53 1HB GLN 53 7.169 -3.322 -3.322 397 2HB GLN 53 2HB GLN 53 6.325 -4.172 -4.172 398 1HG GLN 53 1HG GLN 53 5.745 -5.921 -5.921 399 2HG GLN 53 2HG GLN 53 5.408 -4.869 -4.869 400 1HE2 GLN 53 2HE2 GLN 53 9.363 -6.004 -6.004 401 2HE2 GLN 53 1HE2 GLN 53 8.219 -5.986 -5.986 402 H ILE 54 H ILE 54 3.250 -4.567 -4.567 403 HA ILE 54 HA ILE 54 2.012 -3.023 -3.023 404 HB ILE 54 HB ILE 54 1.509 -5.740 -5.740 405 1HG1 ILE 54 1HG1 ILE 54 -0.330 -3.345 -3.345 406 2HG1 ILE 54 2HG1 ILE 54 0.873 -3.504 -3.504 407 1HG2 ILE 54 3HG2 ILE 54 0.255 -4.393 -4.393 408 2HG2 ILE 54 1HG2 ILE 54 -0.623 -5.635 -5.635 409 3HG2 ILE 54 2HG2 ILE 54 0.898 -6.034 -6.034 410 1HD1 ILE 54 2HD1 ILE 54 -1.297 -5.571 -5.571 411 2HD1 ILE 54 3HD1 ILE 54 -1.323 -4.326 -4.326 412 3HD1 ILE 54 1HD1 ILE 54 -0.085 -5.595 -5.595 413 H VAL 55 H VAL 55 3.035 -3.020 -3.020 414 HA VAL 55 HA VAL 55 5.027 -5.038 -5.038 415 HB VAL 55 HB VAL 55 3.732 -2.667 -2.667 416 1HG1 VAL 55 3HG1 VAL 55 5.785 -4.584 -4.584 417 2HG1 VAL 55 1HG1 VAL 55 5.310 -3.005 -3.005 418 3HG1 VAL 55 2HG1 VAL 55 4.141 -4.316 -4.316 419 1HG2 VAL 55 1HG2 VAL 55 6.528 -3.326 -3.326 420 2HG2 VAL 55 2HG2 VAL 55 5.367 -2.175 -2.175 421 3HG2 VAL 55 3HG2 VAL 55 6.104 -1.855 -1.855 422 H LYS 56 H LYS 56 1.648 -4.213 -4.213 423 HA LYS 56 HA LYS 56 1.119 -6.977 -6.977 424 1HB LYS 56 1HB LYS 56 0.590 -7.368 -7.368 425 2HB LYS 56 2HB LYS 56 2.148 -6.582 -6.582 426 1HG LYS 56 1HG LYS 56 -0.512 -5.111 -5.111 427 2HG LYS 56 2HG LYS 56 0.267 -6.051 -6.051 428 1HD LYS 56 1HD LYS 56 2.163 -4.654 -4.654 429 2HD LYS 56 2HD LYS 56 1.709 -3.762 -3.762 430 1HE LYS 56 1HE LYS 56 -0.114 -2.686 -2.686 431 2HE LYS 56 2HE LYS 56 -0.267 -3.891 -3.891 432 1HZ LYS 56 3HZ LYS 56 1.940 -1.953 -1.953 433 2HZ LYS 56 1HZ LYS 56 0.616 -1.862 -1.862 434 3HZ LYS 56 2HZ LYS 56 1.679 -3.080 -3.080 435 H ASP 57 H ASP 57 -1.072 -7.458 -7.458 436 HA ASP 57 HA ASP 57 -2.925 -5.820 -5.820 437 1HB ASP 57 1HB ASP 57 -3.455 -8.111 -8.111 438 2HB ASP 57 2HB ASP 57 -4.503 -7.569 -7.569 439 H GLY 58 H GLY 58 -4.572 -4.472 -4.472 440 1HA GLY 58 1HA GLY 58 -5.784 -3.258 -3.258 441 2HA GLY 58 2HA GLY 58 -5.252 -4.260 -4.260 442 H GLU 59 H GLU 59 -5.391 -1.886 -1.886 443 HA GLU 59 HA GLU 59 -3.677 0.066 0.066 444 1HB GLU 59 1HB GLU 59 -5.070 -0.032 -0.032 445 2HB GLU 59 2HB GLU 59 -4.294 1.363 1.363 446 1HG GLU 59 1HG GLU 59 -5.831 0.955 0.955 447 2HG GLU 59 2HG GLU 59 -6.795 -0.041 -0.041 448 H CYS 60 H CYS 60 -2.064 1.363 1.363 449 HA CYS 60 HA CYS 60 0.250 -0.195 -0.195 450 1HB CYS 60 1HB CYS 60 -0.261 2.790 2.790 451 2HB CYS 60 2HB CYS 60 1.296 2.021 2.021 Start of MODEL 2 1 1H GLU 1 1HN GLU 1 3.847 -19.405 -19.405 2 2H GLU 1 2HN GLU 1 3.943 -20.070 -20.070 3 3H GLU 1 3HN GLU 1 4.672 -20.822 -20.822 4 HA GLU 1 HA GLU 1 6.218 -19.134 -19.134 5 1HB GLU 1 1HB GLU 1 7.578 -19.430 -19.430 6 2HB GLU 1 2HB GLU 1 6.674 -20.926 -20.926 7 1HG GLU 1 1HG GLU 1 6.306 -18.738 -18.738 8 2HG GLU 1 2HG GLU 1 6.948 -20.349 -20.349 9 H LYS 2 H LYS 2 6.384 -16.970 -16.970 10 HA LYS 2 HA LYS 2 6.516 -15.317 -15.317 11 1HB LYS 2 1HB LYS 2 3.907 -15.404 -15.404 12 2HB LYS 2 2HB LYS 2 3.957 -14.507 -14.507 13 1HG LYS 2 1HG LYS 2 5.428 -13.554 -13.554 14 2HG LYS 2 2HG LYS 2 3.691 -13.373 -13.373 15 1HD LYS 2 1HD LYS 2 5.595 -12.269 -12.269 16 2HD LYS 2 2HD LYS 2 5.044 -11.362 -11.362 17 1HE LYS 2 1HE LYS 2 3.177 -12.459 -12.459 18 2HE LYS 2 2HE LYS 2 3.770 -10.802 -10.802 19 1HZ LYS 2 1HZ LYS 2 2.735 -10.788 -10.788 20 2HZ LYS 2 2HZ LYS 2 1.972 -12.160 -12.160 21 3HZ LYS 2 3HZ LYS 2 1.682 -10.909 -10.909 22 H GLN 3 H GLN 3 4.993 -14.730 -14.730 23 HA GLN 3 HA GLN 3 5.598 -13.769 -13.769 24 1HB GLN 3 1HB GLN 3 7.459 -15.363 -15.363 25 2HB GLN 3 2HB GLN 3 8.506 -14.176 -14.176 26 1HG GLN 3 1HG GLN 3 8.911 -14.060 -14.060 27 2HG GLN 3 2HG GLN 3 8.110 -12.589 -12.589 28 1HE2 GLN 3 2HE2 GLN 3 6.075 -15.264 -15.264 29 2HE2 GLN 3 1HE2 GLN 3 7.518 -15.751 -15.751 30 H VAL 4 H VAL 4 8.124 -12.563 -12.563 31 HA VAL 4 HA VAL 4 6.956 -9.844 -9.844 32 HB VAL 4 HB VAL 4 9.968 -10.369 -10.369 33 1HG1 VAL 4 1HG1 VAL 4 9.229 -8.296 -8.296 34 2HG1 VAL 4 2HG1 VAL 4 8.278 -7.847 -7.847 35 3HG1 VAL 4 3HG1 VAL 4 10.045 -7.928 -7.928 36 1HG2 VAL 4 3HG2 VAL 4 8.102 -9.486 -9.486 37 2HG2 VAL 4 1HG2 VAL 4 9.115 -10.958 -10.958 38 3HG2 VAL 4 2HG2 VAL 4 9.878 -9.381 -9.381 39 H PHE 5 H PHE 5 6.519 -9.386 -9.386 40 HA PHE 5 HA PHE 5 8.412 -9.639 -9.639 41 1HB PHE 5 1HB PHE 5 7.541 -12.223 -12.223 42 2HB PHE 5 2HB PHE 5 6.267 -11.617 -11.617 43 HD1 PHE 5 1HD PHE 5 9.936 -12.117 -12.117 44 HD2 PHE 5 1HD PHE 5 6.674 -11.149 -11.149 45 HE1 PHE 5 2HE PHE 5 11.364 -12.652 -12.652 46 HE2 PHE 5 1HE PHE 5 8.157 -11.446 -11.446 47 HZ PHE 5 HZ PHE 5 10.469 -12.389 -12.389 48 H SER 6 H SER 6 7.642 -8.580 -8.580 49 HA SER 6 HA SER 6 5.404 -6.869 -6.869 50 1HB SER 6 1HB SER 6 6.072 -6.351 -6.351 51 2HB SER 6 2HB SER 6 7.201 -5.966 -5.966 52 HG SER 6 HG SER 6 8.193 -7.220 -7.220 53 H ARG 7 H ARG 7 3.691 -6.686 -6.686 54 HA ARG 7 HA ARG 7 2.921 -9.339 -9.339 55 1HB ARG 7 1HB ARG 7 0.945 -7.383 -7.383 56 2HB ARG 7 2HB ARG 7 0.543 -8.750 -8.750 57 1HG ARG 7 1HG ARG 7 1.409 -10.315 -10.315 58 2HG ARG 7 2HG ARG 7 2.080 -9.001 -9.001 59 1HD ARG 7 1HD ARG 7 0.027 -9.959 -9.959 60 2HD ARG 7 2HD ARG 7 -0.102 -8.222 -8.222 61 HE ARG 7 HE ARG 7 -1.237 -9.057 -9.057 62 1HH1 ARG 7 1HH2 ARG 7 -1.800 -10.087 -10.087 63 2HH1 ARG 7 2HH2 ARG 7 -3.439 -10.398 -10.398 64 1HH2 ARG 7 2HH1 ARG 7 -3.533 -9.174 -9.174 65 2HH2 ARG 7 1HH1 ARG 7 -4.467 -9.809 -9.809 66 H MET 8 H MET 8 2.006 -9.154 -9.154 67 HA MET 8 HA MET 8 3.091 -6.794 -6.794 68 1HB MET 8 1HB MET 8 2.054 -9.476 -9.476 69 2HB MET 8 2HB MET 8 2.598 -8.171 -8.171 70 1HG MET 8 1HG MET 8 4.783 -8.119 -8.119 71 2HG MET 8 2HG MET 8 4.307 -9.431 -9.431 72 1HE MET 8 2HE MET 8 6.873 -9.154 -9.154 73 2HE MET 8 3HE MET 8 6.651 -10.568 -10.568 74 3HE MET 8 1HE MET 8 7.083 -10.786 -10.786 75 HA PRO 9 HA PRO 9 -1.209 -5.383 -5.383 76 1HB PRO 9 1HB PRO 9 -0.754 -2.892 -2.892 77 2HB PRO 9 2HB PRO 9 -0.429 -3.288 -3.288 78 1HG PRO 9 1HG PRO 9 1.560 -3.204 -3.204 79 2HG PRO 9 2HG PRO 9 1.727 -2.461 -2.461 80 1HD PRO 9 1HD PRO 9 2.821 -4.882 -4.882 81 2HD PRO 9 2HD PRO 9 2.205 -4.525 -4.525 82 H ILE 10 H ILE 10 -2.504 -5.673 -5.673 83 HA ILE 10 HA ILE 10 -1.260 -6.003 -6.003 84 HB ILE 10 HB ILE 10 -3.976 -6.613 -6.613 85 1HG1 ILE 10 1HG1 ILE 10 -1.787 -8.262 -8.262 86 2HG1 ILE 10 2HG1 ILE 10 -2.149 -8.178 -8.178 87 1HG2 ILE 10 2HG2 ILE 10 -3.190 -6.570 -6.570 88 2HG2 ILE 10 3HG2 ILE 10 -4.629 -7.412 -7.412 89 3HG2 ILE 10 1HG2 ILE 10 -4.506 -5.666 -5.666 90 1HD1 ILE 10 1HD1 ILE 10 -4.525 -9.010 -9.010 91 2HD1 ILE 10 2HD1 ILE 10 -3.768 -9.494 -9.494 92 3HD1 ILE 10 3HD1 ILE 10 -3.184 -10.163 -10.163 93 H CYS 11 H CYS 11 -1.786 -4.704 -4.704 94 HA CYS 11 HA CYS 11 -2.616 -1.924 -1.924 95 1HB CYS 11 1HB CYS 11 -0.543 -3.143 -3.143 96 2HB CYS 11 2HB CYS 11 -1.233 -1.600 -1.600 97 H GLU 12 H GLU 12 -4.401 -1.238 -1.238 98 HA GLU 12 HA GLU 12 -6.438 -1.433 -1.433 99 1HB GLU 12 1HB GLU 12 -5.786 0.131 0.131 100 2HB GLU 12 2HB GLU 12 -5.477 0.695 0.695 101 1HG GLU 12 1HG GLU 12 -3.138 0.415 0.415 102 2HG GLU 12 2HG GLU 12 -3.233 -0.733 -0.733 103 H HIS 13 H HIS 13 -6.917 -3.659 -3.659 104 HA HIS 13 HA HIS 13 -6.424 -3.870 -3.870 105 1HB HIS 13 1HB HIS 13 -4.619 -5.122 -5.122 106 2HB HIS 13 2HB HIS 13 -5.836 -6.366 -6.366 107 HD1 HIS 13 HD1 HIS 13 -5.717 -7.920 -7.920 108 HD2 HIS 13 HD2 HIS 13 -3.867 -4.145 -4.145 109 HE1 HIS 13 HE1 HIS 13 -4.627 -7.859 -7.859 110 HE2 HIS 13 HE2 HIS 13 -3.457 -5.572 -5.572 111 H MET 14 H MET 14 -7.542 -6.831 -6.831 112 HA MET 14 HA MET 14 -10.048 -5.925 -5.925 113 1HB MET 14 1HB MET 14 -9.154 -8.684 -8.684 114 2HB MET 14 2HB MET 14 -10.680 -8.329 -8.329 115 1HG MET 14 1HG MET 14 -9.467 -7.421 -7.421 116 2HG MET 14 2HG MET 14 -7.930 -7.818 -7.818 117 1HE MET 14 3HE MET 14 -7.050 -9.218 -9.218 118 2HE MET 14 1HE MET 14 -8.006 -10.491 -10.491 119 3HE MET 14 2HE MET 14 -8.527 -8.797 -8.797 120 H THR 15 H THR 15 -12.082 -6.629 -6.629 121 HA THR 15 HA THR 15 -13.255 -5.330 -5.330 122 HB THR 15 HB THR 15 -14.252 -6.950 -6.950 123 HG1 THR 15 HG1 THR 15 -15.523 -5.847 -5.847 124 1HG2 THR 15 2HG2 THR 15 -12.984 -8.944 -8.944 125 2HG2 THR 15 3HG2 THR 15 -14.098 -9.001 -9.001 126 3HG2 THR 15 1HG2 THR 15 -14.702 -9.234 -9.234 127 H GLU 16 H GLU 16 -13.650 -5.100 -5.100 128 HA GLU 16 HA GLU 16 -11.785 -5.243 -5.243 129 1HB GLU 16 1HB GLU 16 -14.394 -5.757 -5.757 130 2HB GLU 16 2HB GLU 16 -13.295 -4.403 -4.403 131 1HG GLU 16 1HG GLU 16 -15.426 -4.813 -4.813 132 2HG GLU 16 2HG GLU 16 -15.501 -3.736 -3.736 133 H SER 17 H SER 17 -10.514 -6.893 -6.893 134 HA SER 17 HA SER 17 -11.626 -9.489 -9.489 135 1HB SER 17 1HB SER 17 -9.223 -10.199 -10.199 136 2HB SER 17 2HB SER 17 -10.776 -10.300 -10.300 137 HG SER 17 HG SER 17 -10.413 -8.349 -8.349 138 HA PRO 18 HA PRO 18 -7.969 -8.567 -8.567 139 1HB PRO 18 1HB PRO 18 -6.235 -6.526 -6.526 140 2HB PRO 18 2HB PRO 18 -6.036 -8.078 -8.078 141 1HG PRO 18 1HG PRO 18 -7.473 -5.601 -5.601 142 2HG PRO 18 2HG PRO 18 -6.144 -6.460 -6.460 143 1HD PRO 18 1HD PRO 18 -8.667 -6.969 -6.969 144 2HD PRO 18 2HD PRO 18 -7.520 -8.324 -8.324 145 H ASP 19 H ASP 19 -7.473 -6.291 -6.291 146 HA ASP 19 HA ASP 19 -10.108 -5.112 -5.112 147 1HB ASP 19 1HB ASP 19 -7.475 -4.334 -4.334 148 2HB ASP 19 2HB ASP 19 -9.093 -3.925 -3.925 149 H CYS 20 H CYS 20 -10.253 -4.410 -4.410 150 HA CYS 20 HA CYS 20 -9.015 -1.751 -1.751 151 1HB CYS 20 1HB CYS 20 -9.937 -3.964 -3.964 152 2HB CYS 20 2HB CYS 20 -10.091 -2.297 -2.297 153 H SER 21 H SER 21 -10.212 -0.054 -0.054 154 HA SER 21 HA SER 21 -11.894 1.445 1.445 155 1HB SER 21 1HB SER 21 -13.052 -0.081 -0.081 156 2HB SER 21 2HB SER 21 -13.856 -0.839 -0.839 157 HG SER 21 HG SER 21 -15.044 0.895 0.895 158 H ARG 22 H ARG 22 -14.263 0.915 0.915 159 HA ARG 22 HA ARG 22 -13.356 1.741 1.741 160 1HB ARG 22 1HB ARG 22 -16.134 1.393 1.393 161 2HB ARG 22 2HB ARG 22 -15.816 1.984 1.984 162 1HG ARG 22 1HG ARG 22 -14.350 3.804 3.804 163 2HG ARG 22 2HG ARG 22 -14.946 3.262 3.262 164 1HD ARG 22 1HD ARG 22 -16.308 5.105 5.105 165 2HD ARG 22 2HD ARG 22 -17.273 3.616 3.616 166 HE ARG 22 HE ARG 22 -16.049 3.993 3.993 167 1HH1 ARG 22 2HH2 ARG 22 -18.966 5.053 5.053 168 2HH1 ARG 22 1HH2 ARG 22 -19.546 5.940 5.940 169 1HH2 ARG 22 2HH1 ARG 22 -17.050 4.719 4.719 170 2HH2 ARG 22 1HH1 ARG 22 -18.516 5.668 5.668 171 H ILE 23 H ILE 23 -12.830 -1.061 -1.061 172 HA ILE 23 HA ILE 23 -14.127 -2.602 -2.602 173 HB ILE 23 HB ILE 23 -11.355 -2.795 -2.795 174 1HG1 ILE 23 1HG1 ILE 23 -13.500 -3.184 -3.184 175 2HG1 ILE 23 2HG1 ILE 23 -12.170 -4.307 -4.307 176 1HG2 ILE 23 2HG2 ILE 23 -12.853 -4.585 -4.585 177 2HG2 ILE 23 3HG2 ILE 23 -11.483 -5.142 -5.142 178 3HG2 ILE 23 1HG2 ILE 23 -11.258 -3.832 -3.832 179 1HD1 ILE 23 2HD1 ILE 23 -14.637 -4.707 -4.707 180 2HD1 ILE 23 3HD1 ILE 23 -14.437 -5.366 -5.366 181 3HD1 ILE 23 1HD1 ILE 23 -13.354 -5.896 -5.896 182 H TYR 24 H TYR 24 -13.883 -2.096 -2.096 183 HA TYR 24 HA TYR 24 -11.744 -0.162 -0.162 184 1HB TYR 24 1HB TYR 24 -14.334 0.287 0.287 185 2HB TYR 24 2HB TYR 24 -14.203 -0.743 -0.743 186 HD1 TYR 24 HD1 TYR 24 -11.620 -0.024 -0.024 187 HD2 TYR 24 HD2 TYR 24 -14.555 2.481 2.481 188 HE1 TYR 24 HE1 TYR 24 -10.714 1.926 1.926 189 HE2 TYR 24 HE2 TYR 24 -13.716 4.421 4.421 190 HH TYR 24 HH TYR 24 -10.944 4.168 4.168 191 H ASP 25 H ASP 25 -10.218 -1.882 -1.882 192 HA ASP 25 HA ASP 25 -10.392 -3.654 -3.654 193 1HB ASP 25 1HB ASP 25 -11.205 -4.950 -4.950 194 2HB ASP 25 2HB ASP 25 -9.540 -4.845 -4.845 195 HA PRO 26 HA PRO 26 -6.940 -0.981 -0.981 196 1HB PRO 26 1HB PRO 26 -5.983 -0.638 -0.638 197 2HB PRO 26 2HB PRO 26 -7.250 0.314 0.314 198 1HG PRO 26 1HG PRO 26 -7.588 -2.013 -2.013 199 2HG PRO 26 2HG PRO 26 -8.566 -0.529 -0.529 200 1HD PRO 26 1HD PRO 26 -9.365 -2.909 -2.909 201 2HD PRO 26 2HD PRO 26 -9.767 -1.362 -1.362 202 H VAL 27 H VAL 27 -4.608 -0.845 -0.845 203 HA VAL 27 HA VAL 27 -3.155 -3.199 -3.199 204 HB VAL 27 HB VAL 27 -1.850 -3.325 -3.325 205 1HG1 VAL 27 3HG1 VAL 27 -3.608 -4.972 -4.972 206 2HG1 VAL 27 1HG1 VAL 27 -4.791 -3.962 -3.962 207 3HG1 VAL 27 2HG1 VAL 27 -3.410 -4.661 -4.661 208 1HG2 VAL 27 3HG2 VAL 27 -2.396 -1.097 -1.097 209 2HG2 VAL 27 1HG2 VAL 27 -2.658 -2.430 -2.430 210 3HG2 VAL 27 2HG2 VAL 27 -4.051 -1.660 -1.660 211 H CYS 28 H CYS 28 -0.941 -2.673 -2.673 212 HA CYS 28 HA CYS 28 -0.529 0.237 0.237 213 1HB CYS 28 1HB CYS 28 -0.477 -1.355 -1.355 214 2HB CYS 28 2HB CYS 28 0.774 -2.301 -2.301 215 H GLY 29 H GLY 29 1.065 1.324 1.324 216 1HA GLY 29 1HA GLY 29 2.523 -0.319 -0.319 217 2HA GLY 29 2HA GLY 29 2.145 1.407 1.407 218 H THR 30 H THR 30 4.699 -0.003 -0.003 219 HA THR 30 HA THR 30 6.488 0.566 0.566 220 HB THR 30 HB THR 30 8.231 0.058 0.058 221 HG1 THR 30 HG1 THR 30 7.240 0.869 0.869 222 1HG2 THR 30 2HG2 THR 30 5.937 -1.946 -1.946 223 2HG2 THR 30 3HG2 THR 30 7.542 -2.258 -2.258 224 3HG2 THR 30 1HG2 THR 30 7.373 -1.875 -1.875 225 H ASP 31 H ASP 31 4.828 2.788 2.788 226 HA ASP 31 HA ASP 31 6.961 4.780 4.780 227 1HB ASP 31 1HB ASP 31 5.114 6.196 6.196 228 2HB ASP 31 2HB ASP 31 5.143 4.708 4.708 229 H GLY 32 H GLY 32 4.543 3.555 3.555 230 1HA GLY 32 1HA GLY 32 5.109 4.191 4.191 231 2HA GLY 32 2HA GLY 32 4.989 5.859 5.859 232 H VAL 33 H VAL 33 2.720 4.661 4.661 233 HA VAL 33 HA VAL 33 0.761 5.872 5.872 234 HB VAL 33 HB VAL 33 0.805 5.570 5.570 235 1HG1 VAL 33 2HG1 VAL 33 -0.925 7.307 7.307 236 2HG1 VAL 33 3HG1 VAL 33 -0.830 7.454 7.454 237 3HG1 VAL 33 1HG1 VAL 33 -1.462 5.976 5.976 238 1HG2 VAL 33 2HG2 VAL 33 1.624 7.924 7.924 239 2HG2 VAL 33 3HG2 VAL 33 2.706 6.969 6.969 240 3HG2 VAL 33 1HG2 VAL 33 1.465 7.975 7.975 241 H THR 34 H THR 34 -1.361 5.046 5.046 242 HA THR 34 HA THR 34 -1.810 2.193 2.193 243 HB THR 34 HB THR 34 -3.406 4.211 4.211 244 HG1 THR 34 HG1 THR 34 -1.717 3.348 3.348 245 1HG2 THR 34 3HG2 THR 34 -4.044 1.326 1.326 246 2HG2 THR 34 1HG2 THR 34 -4.862 2.284 2.284 247 3HG2 THR 34 2HG2 THR 34 -4.997 2.767 2.767 248 H TYR 35 H TYR 35 -3.007 1.623 1.623 249 HA TYR 35 HA TYR 35 -4.532 3.686 3.686 250 1HB TYR 35 1HB TYR 35 -2.795 1.324 1.324 251 2HB TYR 35 2HB TYR 35 -4.178 1.744 1.744 252 HD1 TYR 35 HD1 TYR 35 -0.916 3.110 3.110 253 HD2 TYR 35 HD2 TYR 35 -4.298 3.699 3.699 254 HE1 TYR 35 HE1 TYR 35 0.163 5.117 5.117 255 HE2 TYR 35 HE2 TYR 35 -3.222 5.676 5.676 256 HH TYR 35 HH TYR 35 -0.077 6.930 6.930 257 H GLU 36 H GLU 36 -6.702 3.066 3.066 258 HA GLU 36 HA GLU 36 -7.886 1.111 1.111 259 1HB GLU 36 1HB GLU 36 -9.224 2.492 2.492 260 2HB GLU 36 2HB GLU 36 -9.965 1.716 1.716 261 1HG GLU 36 1HG GLU 36 -10.141 3.941 3.941 262 2HG GLU 36 2HG GLU 36 -8.696 3.423 3.423 263 H SER 37 H SER 37 -6.286 0.679 0.679 264 HA SER 37 HA SER 37 -7.350 -1.986 -1.986 265 1HB SER 37 1HB SER 37 -7.770 -0.512 -0.512 266 2HB SER 37 2HB SER 37 -8.830 -1.647 -1.647 267 HG SER 37 HG SER 37 -9.646 -0.053 -0.053 268 H GLU 38 H GLU 38 -5.798 -3.220 -3.220 269 HA GLU 38 HA GLU 38 -3.236 -2.109 -2.109 270 1HB GLU 38 1HB GLU 38 -2.652 -4.122 -4.122 271 2HB GLU 38 2HB GLU 38 -3.352 -4.415 -4.415 272 1HG GLU 38 1HG GLU 38 -5.365 -5.183 -5.183 273 2HG GLU 38 2HG GLU 38 -5.061 -4.413 -4.413 274 H CYS 39 H CYS 39 -5.873 -2.348 -2.348 275 HA CYS 39 HA CYS 39 -4.512 -1.813 -1.813 276 1HB CYS 39 1HB CYS 39 -6.853 -2.452 -2.452 277 2HB CYS 39 2HB CYS 39 -7.207 -0.768 -0.768 278 H LYS 40 H LYS 40 -5.791 0.441 0.441 279 HA LYS 40 HA LYS 40 -5.033 2.898 2.898 280 1HB LYS 40 1HB LYS 40 -5.574 2.299 2.299 281 2HB LYS 40 2HB LYS 40 -5.416 3.904 3.904 282 1HG LYS 40 1HG LYS 40 -7.346 3.290 3.290 283 2HG LYS 40 2HG LYS 40 -7.575 1.823 1.823 284 1HD LYS 40 1HD LYS 40 -9.085 3.347 3.347 285 2HD LYS 40 2HD LYS 40 -7.743 3.299 3.299 286 1HE LYS 40 1HE LYS 40 -7.106 5.418 5.418 287 2HE LYS 40 2HE LYS 40 -8.849 5.515 5.515 288 1HZ LYS 40 1HZ LYS 40 -8.290 5.476 5.476 289 2HZ LYS 40 2HZ LYS 40 -6.751 5.798 5.798 290 3HZ LYS 40 3HZ LYS 40 -7.934 6.843 6.843 291 H LEU 41 H LEU 41 -3.449 0.676 0.676 292 HA LEU 41 HA LEU 41 -1.187 2.368 2.368 293 1HB LEU 41 1HB LEU 41 -1.864 0.378 0.378 294 2HB LEU 41 2HB LEU 41 -1.235 -0.679 -0.679 295 HG LEU 41 HG LEU 41 0.614 1.458 1.458 296 1HD1 LEU 41 1HD1 LEU 41 -0.210 -1.036 -1.036 297 2HD1 LEU 41 2HD1 LEU 41 1.253 -0.087 -0.087 298 3HD1 LEU 41 3HD1 LEU 41 -0.341 0.654 0.654 299 1HD2 LEU 41 2HD2 LEU 41 1.266 -0.192 -0.192 300 2HD2 LEU 41 3HD2 LEU 41 2.280 -0.306 -0.306 301 3HD2 LEU 41 1HD2 LEU 41 1.004 -1.504 -1.504 302 H CYS 42 H CYS 42 -1.823 -0.216 -0.216 303 HA CYS 42 HA CYS 42 0.318 0.152 0.152 304 1HB CYS 42 1HB CYS 42 -2.155 -1.140 -1.140 305 2HB CYS 42 2HB CYS 42 -1.856 -0.235 -0.235 306 H LEU 43 H LEU 43 -2.718 1.953 1.953 307 HA LEU 43 HA LEU 43 -1.884 3.756 3.756 308 1HB LEU 43 1HB LEU 43 -3.790 3.955 3.955 309 2HB LEU 43 2HB LEU 43 -3.755 5.198 5.198 310 HG LEU 43 HG LEU 43 -4.467 2.266 2.266 311 1HD1 LEU 43 1HD1 LEU 43 -6.112 4.813 4.813 312 2HD1 LEU 43 2HD1 LEU 43 -6.688 3.174 3.174 313 3HD1 LEU 43 3HD1 LEU 43 -6.207 3.575 3.575 314 1HD2 LEU 43 3HD2 LEU 43 -4.189 4.501 4.501 315 2HD2 LEU 43 1HD2 LEU 43 -3.387 2.919 2.919 316 3HD2 LEU 43 2HD2 LEU 43 -5.123 3.022 3.022 317 H ALA 44 H ALA 44 -1.271 3.881 3.881 318 HA ALA 44 HA ALA 44 -0.048 6.467 6.467 319 1HB ALA 44 1HB ALA 44 -0.942 5.335 5.335 320 2HB ALA 44 2HB ALA 44 0.463 4.248 4.248 321 3HB ALA 44 3HB ALA 44 0.700 5.989 5.989 322 H ARG 45 H ARG 45 1.336 3.141 3.141 323 HA ARG 45 HA ARG 45 4.078 3.885 3.885 324 1HB ARG 45 1HB ARG 45 2.525 1.751 1.751 325 2HB ARG 45 2HB ARG 45 4.240 1.969 1.969 326 1HG ARG 45 1HG ARG 45 4.706 0.815 0.815 327 2HG ARG 45 2HG ARG 45 3.630 1.844 1.844 328 1HD ARG 45 1HD ARG 45 2.880 -0.554 -0.554 329 2HD ARG 45 2HD ARG 45 1.777 0.554 0.554 330 HE ARG 45 HE ARG 45 2.074 -0.429 -0.429 331 1HH1 ARG 45 2HH2 ARG 45 4.484 -1.658 -1.658 332 2HH1 ARG 45 1HH2 ARG 45 5.235 -2.638 -2.638 333 1HH2 ARG 45 2HH1 ARG 45 2.813 -2.081 -2.081 334 2HH2 ARG 45 1HH1 ARG 45 3.602 -3.445 -3.445 335 H ILE 46 H ILE 46 1.517 3.809 3.809 336 HA ILE 46 HA ILE 46 3.324 4.535 4.535 337 HB ILE 46 HB ILE 46 0.278 4.636 4.636 338 1HG1 ILE 46 1HG1 ILE 46 2.103 2.679 2.679 339 2HG1 ILE 46 2HG1 ILE 46 1.491 2.388 2.388 340 1HG2 ILE 46 3HG2 ILE 46 2.027 5.015 5.015 341 2HG2 ILE 46 1HG2 ILE 46 0.264 4.814 4.814 342 3HG2 ILE 46 2HG2 ILE 46 0.961 6.235 6.235 343 1HD1 ILE 46 1HD1 ILE 46 -0.858 2.600 2.600 344 2HD1 ILE 46 2HD1 ILE 46 -0.167 2.611 2.611 345 3HD1 ILE 46 3HD1 ILE 46 0.058 1.206 1.206 346 H GLU 47 H GLU 47 1.125 6.607 6.607 347 HA GLU 47 HA GLU 47 2.174 8.808 8.808 348 1HB GLU 47 1HB GLU 47 0.403 8.923 8.923 349 2HB GLU 47 2HB GLU 47 1.100 10.360 10.360 350 1HG GLU 47 1HG GLU 47 -0.504 8.267 8.267 351 2HG GLU 47 2HG GLU 47 -1.161 9.767 9.767 352 H ASN 48 H ASN 48 3.129 7.496 7.496 353 HA ASN 48 HA ASN 48 5.119 9.540 9.540 354 1HB ASN 48 1HB ASN 48 4.831 6.688 6.688 355 2HB ASN 48 2HB ASN 48 6.123 7.781 7.781 356 1HD2 ASN 48 2HD2 ASN 48 2.435 8.260 8.260 357 2HD2 ASN 48 1HD2 ASN 48 2.644 7.225 7.225 358 H LYS 49 H LYS 49 5.003 6.693 6.693 359 HA LYS 49 HA LYS 49 6.420 5.734 5.734 360 1HB LYS 49 1HB LYS 49 7.813 8.446 8.446 361 2HB LYS 49 2HB LYS 49 8.118 7.156 7.156 362 1HG LYS 49 1HG LYS 49 5.861 7.218 7.218 363 2HG LYS 49 2HG LYS 49 5.344 8.163 8.163 364 1HD LYS 49 1HD LYS 49 6.535 10.137 10.137 365 2HD LYS 49 2HD LYS 49 7.022 9.285 9.285 366 1HE LYS 49 1HE LYS 49 4.963 10.765 10.765 367 2HE LYS 49 2HE LYS 49 4.721 9.078 9.078 368 1HZ LYS 49 1HZ LYS 49 3.919 10.045 10.045 369 2HZ LYS 49 2HZ LYS 49 2.864 10.053 10.053 370 3HZ LYS 49 3HZ LYS 49 3.525 8.651 8.651 371 H GLN 50 H GLN 50 6.552 4.847 4.847 372 HA GLN 50 HA GLN 50 9.351 4.033 4.033 373 1HB GLN 50 1HB GLN 50 7.541 4.908 4.908 374 2HB GLN 50 2HB GLN 50 9.117 4.099 4.099 375 1HG GLN 50 1HG GLN 50 10.051 6.079 6.079 376 2HG GLN 50 2HG GLN 50 8.529 6.918 6.918 377 1HE2 GLN 50 2HE2 GLN 50 10.857 5.974 5.974 378 2HE2 GLN 50 1HE2 GLN 50 10.682 4.761 4.761 379 H ASP 51 H ASP 51 9.388 1.782 1.782 380 HA ASP 51 HA ASP 51 6.773 0.412 0.412 381 1HB ASP 51 1HB ASP 51 8.697 -0.589 -0.589 382 2HB ASP 51 2HB ASP 51 9.482 -0.814 -0.814 383 H ILE 52 H ILE 52 6.031 1.742 1.742 384 HA ILE 52 HA ILE 52 6.756 0.975 0.975 385 HB ILE 52 HB ILE 52 3.896 1.549 1.549 386 1HG1 ILE 52 1HG1 ILE 52 5.898 3.775 3.775 387 2HG1 ILE 52 2HG1 ILE 52 5.403 3.364 3.364 388 1HG2 ILE 52 1HG2 ILE 52 4.373 0.888 0.888 389 2HG2 ILE 52 2HG2 ILE 52 5.512 2.243 2.243 390 3HG2 ILE 52 3HG2 ILE 52 3.772 2.534 2.534 391 1HD1 ILE 52 1HD1 ILE 52 3.029 3.783 3.783 392 2HD1 ILE 52 2HD1 ILE 52 3.560 4.409 4.409 393 3HD1 ILE 52 3HD1 ILE 52 4.084 5.204 5.204 394 H GLN 53 H GLN 53 5.795 -0.802 -0.802 395 HA GLN 53 HA GLN 53 4.248 -2.808 -2.808 396 1HB GLN 53 1HB GLN 53 6.875 -3.244 -3.244 397 2HB GLN 53 2HB GLN 53 6.346 -3.727 -3.727 398 1HG GLN 53 1HG GLN 53 4.941 -5.427 -5.427 399 2HG GLN 53 2HG GLN 53 5.092 -4.834 -4.834 400 1HE2 GLN 53 2HE2 GLN 53 7.269 -7.845 -7.845 401 2HE2 GLN 53 1HE2 GLN 53 5.560 -7.523 -7.523 402 H ILE 54 H ILE 54 3.145 -4.286 -4.286 403 HA ILE 54 HA ILE 54 2.078 -2.632 -2.632 404 HB ILE 54 HB ILE 54 1.699 -5.490 -5.490 405 1HG1 ILE 54 1HG1 ILE 54 -0.369 -3.313 -3.313 406 2HG1 ILE 54 2HG1 ILE 54 0.836 -3.617 -3.617 407 1HG2 ILE 54 1HG2 ILE 54 0.322 -3.868 -3.868 408 2HG2 ILE 54 2HG2 ILE 54 -0.385 -5.361 -5.361 409 3HG2 ILE 54 3HG2 ILE 54 1.175 -5.424 -5.424 410 1HD1 ILE 54 1HD1 ILE 54 0.130 -6.009 -6.009 411 2HD1 ILE 54 2HD1 ILE 54 -1.220 -5.616 -5.616 412 3HD1 ILE 54 3HD1 ILE 54 -1.086 -4.840 -4.840 413 H VAL 55 H VAL 55 3.029 -2.717 -2.717 414 HA VAL 55 HA VAL 55 5.326 -4.396 -4.396 415 HB VAL 55 HB VAL 55 3.460 -2.685 -2.685 416 1HG1 VAL 55 2HG1 VAL 55 6.122 -4.023 -4.023 417 2HG1 VAL 55 3HG1 VAL 55 5.345 -2.817 -2.817 418 3HG1 VAL 55 1HG1 VAL 55 4.589 -4.392 -4.392 419 1HG2 VAL 55 1HG2 VAL 55 4.806 -1.386 -1.386 420 2HG2 VAL 55 2HG2 VAL 55 5.185 -1.006 -1.006 421 3HG2 VAL 55 3HG2 VAL 55 6.276 -2.046 -2.046 422 H LYS 56 H LYS 56 1.825 -4.148 -4.148 423 HA LYS 56 HA LYS 56 1.432 -6.936 -6.936 424 1HB LYS 56 1HB LYS 56 1.061 -7.061 -7.061 425 2HB LYS 56 2HB LYS 56 2.732 -6.786 -6.786 426 1HG LYS 56 1HG LYS 56 2.222 -5.511 -5.511 427 2HG LYS 56 2HG LYS 56 2.459 -4.356 -4.356 428 1HD LYS 56 1HD LYS 56 0.046 -3.983 -3.983 429 2HD LYS 56 2HD LYS 56 -0.266 -5.379 -5.379 430 1HE LYS 56 1HE LYS 56 -0.613 -3.067 -3.067 431 2HE LYS 56 2HE LYS 56 0.306 -4.220 -4.220 432 1HZ LYS 56 1HZ LYS 56 1.496 -2.041 -2.041 433 2HZ LYS 56 2HZ LYS 56 1.300 -2.090 -2.090 434 3HZ LYS 56 3HZ LYS 56 2.339 -3.136 -3.136 435 H ASP 57 H ASP 57 -0.710 -7.322 -7.322 436 HA ASP 57 HA ASP 57 -2.802 -6.178 -6.178 437 1HB ASP 57 1HB ASP 57 -2.795 -7.459 -7.459 438 2HB ASP 57 2HB ASP 57 -4.188 -7.297 -7.297 439 H GLY 58 H GLY 58 -4.514 -4.739 -4.739 440 1HA GLY 58 1HA GLY 58 -5.819 -3.419 -3.419 441 2HA GLY 58 2HA GLY 58 -5.011 -4.106 -4.106 442 H GLU 59 H GLU 59 -5.597 -1.794 -1.794 443 HA GLU 59 HA GLU 59 -3.997 0.407 0.407 444 1HB GLU 59 1HB GLU 59 -5.415 -0.145 -0.145 445 2HB GLU 59 2HB GLU 59 -4.829 1.448 1.448 446 1HG GLU 59 1HG GLU 59 -6.473 1.721 1.721 447 2HG GLU 59 2HG GLU 59 -6.761 -0.001 -0.001 448 H CYS 60 H CYS 60 -2.220 1.332 1.332 449 HA CYS 60 HA CYS 60 -0.244 -0.651 -0.651 450 1HB CYS 60 1HB CYS 60 -0.111 2.351 2.351 451 2HB CYS 60 2HB CYS 60 1.306 1.319 1.319 Start of MODEL 3 1 1H GLU 1 2HN GLU 1 15.584 -7.136 -7.136 2 2H GLU 1 3HN GLU 1 14.866 -8.055 -8.055 3 3H GLU 1 1HN GLU 1 14.857 -8.551 -8.551 4 HA GLU 1 HA GLU 1 13.481 -6.728 -6.728 5 1HB GLU 1 1HB GLU 1 12.626 -8.761 -8.761 6 2HB GLU 1 2HB GLU 1 11.838 -7.268 -7.268 7 1HG GLU 1 1HG GLU 1 11.744 -8.526 -8.526 8 2HG GLU 1 2HG GLU 1 10.465 -8.547 -8.547 9 H LYS 2 H LYS 2 11.893 -5.061 -5.061 10 HA LYS 2 HA LYS 2 13.664 -3.158 -3.158 11 1HB LYS 2 1HB LYS 2 10.747 -3.135 -3.135 12 2HB LYS 2 2HB LYS 2 11.508 -1.826 -1.826 13 1HG LYS 2 1HG LYS 2 13.008 -1.281 -1.281 14 2HG LYS 2 2HG LYS 2 12.667 -2.785 -2.785 15 1HD LYS 2 1HD LYS 2 11.569 -0.850 -0.850 16 2HD LYS 2 2HD LYS 2 10.445 -2.111 -2.111 17 1HE LYS 2 1HE LYS 2 9.527 0.085 0.085 18 2HE LYS 2 2HE LYS 2 9.767 -0.805 -0.805 19 1HZ LYS 2 2HZ LYS 2 11.838 1.073 1.073 20 2HZ LYS 2 3HZ LYS 2 10.468 1.621 1.621 21 3HZ LYS 2 1HZ LYS 2 11.423 0.588 0.588 22 H GLN 3 H GLN 3 10.378 -3.562 -3.562 23 HA GLN 3 HA GLN 3 11.419 -3.792 -3.792 24 1HB GLN 3 1HB GLN 3 8.601 -3.527 -3.527 25 2HB GLN 3 2HB GLN 3 9.034 -3.479 -3.479 26 1HG GLN 3 1HG GLN 3 10.484 -1.543 -1.543 27 2HG GLN 3 2HG GLN 3 10.192 -1.578 -1.578 28 1HE2 GLN 3 2HE2 GLN 3 7.060 -0.313 -0.313 29 2HE2 GLN 3 1HE2 GLN 3 8.139 -1.540 -1.540 30 H VAL 4 H VAL 4 10.215 -6.091 -6.091 31 HA VAL 4 HA VAL 4 9.641 -8.165 -8.165 32 HB VAL 4 HB VAL 4 11.615 -8.467 -8.467 33 1HG1 VAL 4 2HG1 VAL 4 9.486 -8.353 -8.353 34 2HG1 VAL 4 3HG1 VAL 4 10.420 -9.830 -9.830 35 3HG1 VAL 4 1HG1 VAL 4 11.245 -8.275 -8.275 36 1HG2 VAL 4 2HG2 VAL 4 10.573 -10.225 -10.225 37 2HG2 VAL 4 3HG2 VAL 4 11.264 -10.839 -10.839 38 3HG2 VAL 4 1HG2 VAL 4 9.513 -10.653 -10.653 39 H PHE 5 H PHE 5 7.961 -9.614 -9.614 40 HA PHE 5 HA PHE 5 5.795 -10.015 -10.015 41 1HB PHE 5 1HB PHE 5 5.851 -7.912 -7.912 42 2HB PHE 5 2HB PHE 5 4.386 -8.671 -8.671 43 HD1 PHE 5 1HD PHE 5 7.395 -10.874 -10.874 44 HD2 PHE 5 1HD PHE 5 4.010 -9.351 -9.351 45 HE1 PHE 5 1HE PHE 5 7.379 -12.886 -12.886 46 HE2 PHE 5 2HE PHE 5 3.930 -11.474 -11.474 47 HZ PHE 5 HZ PHE 5 5.545 -13.299 -13.299 48 H SER 6 H SER 6 7.281 -7.592 -7.592 49 HA SER 6 HA SER 6 5.220 -6.081 -6.081 50 1HB SER 6 1HB SER 6 7.243 -5.964 -5.964 51 2HB SER 6 2HB SER 6 7.264 -5.130 -5.130 52 HG SER 6 HG SER 6 9.159 -6.480 -6.480 53 H ARG 7 H ARG 7 4.459 -6.530 -6.530 54 HA ARG 7 HA ARG 7 4.627 -9.165 -9.165 55 1HB ARG 7 1HB ARG 7 2.190 -9.621 -9.621 56 2HB ARG 7 2HB ARG 7 2.840 -9.634 -9.634 57 1HG ARG 7 1HG ARG 7 2.083 -7.308 -7.308 58 2HG ARG 7 2HG ARG 7 1.367 -7.340 -7.340 59 1HD ARG 7 1HD ARG 7 -0.508 -7.750 -7.750 60 2HD ARG 7 2HD ARG 7 0.036 -9.428 -9.428 61 HE ARG 7 HE ARG 7 1.246 -8.726 -8.726 62 1HH1 ARG 7 2HH2 ARG 7 -2.166 -8.058 -8.058 63 2HH1 ARG 7 1HH2 ARG 7 -2.737 -8.262 -8.262 64 1HH2 ARG 7 2HH1 ARG 7 0.384 -9.179 -9.179 65 2HH2 ARG 7 1HH1 ARG 7 -1.291 -8.907 -8.907 66 H MET 8 H MET 8 3.827 -8.999 -8.999 67 HA MET 8 HA MET 8 4.300 -6.241 -6.241 68 1HB MET 8 1HB MET 8 4.454 -7.485 -7.485 69 2HB MET 8 2HB MET 8 5.809 -7.466 -7.466 70 1HG MET 8 1HG MET 8 3.848 -9.767 -9.767 71 2HG MET 8 2HG MET 8 5.286 -9.686 -9.686 72 1HE MET 8 3HE MET 8 5.660 -12.121 -12.121 73 2HE MET 8 1HE MET 8 5.955 -12.407 -12.407 74 3HE MET 8 2HE MET 8 4.350 -11.908 -11.908 75 HA PRO 9 HA PRO 9 -0.135 -6.338 -6.338 76 1HB PRO 9 1HB PRO 9 -0.609 -3.826 -3.826 77 2HB PRO 9 2HB PRO 9 -0.117 -4.180 -4.180 78 1HG PRO 9 1HG PRO 9 1.685 -3.312 -3.312 79 2HG PRO 9 2HG PRO 9 1.599 -2.607 -2.607 80 1HD PRO 9 1HD PRO 9 3.467 -4.457 -4.457 81 2HD PRO 9 2HD PRO 9 2.656 -4.497 -4.497 82 H ILE 10 H ILE 10 -1.195 -7.231 -7.231 83 HA ILE 10 HA ILE 10 -0.466 -6.755 -6.755 84 HB ILE 10 HB ILE 10 -2.884 -8.001 -8.001 85 1HG1 ILE 10 1HG1 ILE 10 -0.648 -9.222 -9.222 86 2HG1 ILE 10 2HG1 ILE 10 -2.000 -10.117 -10.117 87 1HG2 ILE 10 3HG2 ILE 10 -2.250 -7.745 -7.745 88 2HG2 ILE 10 1HG2 ILE 10 -3.473 -8.843 -8.843 89 3HG2 ILE 10 2HG2 ILE 10 -3.648 -7.098 -7.098 90 1HD1 ILE 10 1HD1 ILE 10 0.206 -8.799 -8.799 91 2HD1 ILE 10 2HD1 ILE 10 0.044 -10.517 -10.517 92 3HD1 ILE 10 3HD1 ILE 10 -1.146 -9.757 -9.757 93 H CYS 11 H CYS 11 -1.535 -5.200 -5.200 94 HA CYS 11 HA CYS 11 -3.234 -3.189 -3.189 95 1HB CYS 11 1HB CYS 11 -0.693 -2.773 -2.773 96 2HB CYS 11 2HB CYS 11 -1.814 -1.533 -1.533 97 H GLU 12 H GLU 12 -3.934 -1.632 -1.632 98 HA GLU 12 HA GLU 12 -5.491 -3.291 -3.291 99 1HB GLU 12 1HB GLU 12 -6.535 -1.239 -1.239 100 2HB GLU 12 2HB GLU 12 -6.442 -1.357 -1.357 101 1HG GLU 12 1HG GLU 12 -4.401 0.302 0.302 102 2HG GLU 12 2HG GLU 12 -6.017 0.911 0.911 103 H HIS 13 H HIS 13 -3.660 -4.376 -4.376 104 HA HIS 13 HA HIS 13 -2.214 -3.016 -3.016 105 1HB HIS 13 1HB HIS 13 -2.863 -5.953 -5.953 106 2HB HIS 13 2HB HIS 13 -1.561 -5.201 -5.201 107 HD1 HIS 13 HD1 HIS 13 -1.311 -7.457 -7.457 108 HD2 HIS 13 HD2 HIS 13 -0.661 -3.285 -3.285 109 HE1 HIS 13 HE1 HIS 13 0.127 -7.087 -7.087 110 HE2 HIS 13 HE2 HIS 13 0.565 -4.575 -4.575 111 H MET 14 H MET 14 -5.213 -5.016 -5.016 112 HA MET 14 HA MET 14 -6.257 -3.956 -3.956 113 1HB MET 14 1HB MET 14 -7.562 -5.296 -5.296 114 2HB MET 14 2HB MET 14 -8.403 -4.812 -4.812 115 1HG MET 14 1HG MET 14 -6.100 -6.773 -6.773 116 2HG MET 14 2HG MET 14 -7.776 -7.246 -7.246 117 1HE MET 14 3HE MET 14 -7.412 -8.965 -8.965 118 2HE MET 14 1HE MET 14 -6.842 -8.514 -8.514 119 3HE MET 14 2HE MET 14 -5.743 -8.386 -8.386 120 H THR 15 H THR 15 -5.966 -1.652 -1.652 121 HA THR 15 HA THR 15 -6.759 -0.277 -0.277 122 HB THR 15 HB THR 15 -6.702 1.664 1.664 123 HG1 THR 15 HG1 THR 15 -5.559 1.184 1.184 124 1HG2 THR 15 3HG2 THR 15 -4.870 1.022 1.022 125 2HG2 THR 15 1HG2 THR 15 -4.195 -0.047 -0.047 126 3HG2 THR 15 2HG2 THR 15 -4.238 1.706 1.706 127 H GLU 16 H GLU 16 -8.354 -1.323 -1.323 128 HA GLU 16 HA GLU 16 -10.962 -0.224 -0.224 129 1HB GLU 16 1HB GLU 16 -10.096 -2.222 -2.222 130 2HB GLU 16 2HB GLU 16 -11.708 -1.567 -1.567 131 1HG GLU 16 1HG GLU 16 -9.390 0.392 0.392 132 2HG GLU 16 2HG GLU 16 -9.960 -0.504 -0.504 133 H SER 17 H SER 17 -10.494 -1.132 -1.132 134 HA SER 17 HA SER 17 -12.343 -3.227 -3.227 135 1HB SER 17 1HB SER 17 -9.416 -3.696 -3.696 136 2HB SER 17 2HB SER 17 -10.750 -4.545 -4.545 137 HG SER 17 HG SER 17 -11.074 -4.770 -4.770 138 HA PRO 18 HA PRO 18 -11.535 0.398 0.398 139 1HB PRO 18 1HB PRO 18 -14.136 0.758 0.758 140 2HB PRO 18 2HB PRO 18 -13.458 1.491 1.491 141 1HG PRO 18 1HG PRO 18 -15.094 -1.019 -1.019 142 2HG PRO 18 2HG PRO 18 -15.291 0.321 0.321 143 1HD PRO 18 1HD PRO 18 -14.018 -1.959 -1.959 144 2HD PRO 18 2HD PRO 18 -13.389 -0.394 -0.394 145 H ASP 19 H ASP 19 -10.457 -0.536 -0.536 146 HA ASP 19 HA ASP 19 -11.825 -2.471 -2.471 147 1HB ASP 19 1HB ASP 19 -9.891 -3.931 -3.931 148 2HB ASP 19 2HB ASP 19 -10.403 -3.705 -3.705 149 H CYS 20 H CYS 20 -11.205 0.342 0.342 150 HA CYS 20 HA CYS 20 -10.051 0.337 0.337 151 1HB CYS 20 1HB CYS 20 -10.596 2.491 2.491 152 2HB CYS 20 2HB CYS 20 -10.992 2.859 2.859 153 H SER 21 H SER 21 -11.658 -1.358 -1.358 154 HA SER 21 HA SER 21 -14.479 -0.889 -0.889 155 1HB SER 21 1HB SER 21 -14.358 -2.928 -2.928 156 2HB SER 21 2HB SER 21 -13.666 -3.090 -3.090 157 HG SER 21 HG SER 21 -11.961 -3.694 -3.694 158 H ARG 22 H ARG 22 -15.845 -0.792 -0.792 159 HA ARG 22 HA ARG 22 -14.627 0.817 0.817 160 1HB ARG 22 1HB ARG 22 -17.577 0.521 0.521 161 2HB ARG 22 2HB ARG 22 -16.860 1.664 1.664 162 1HG ARG 22 1HG ARG 22 -16.142 1.802 1.802 163 2HG ARG 22 2HG ARG 22 -17.465 2.684 2.684 164 1HD ARG 22 1HD ARG 22 -16.087 3.942 3.942 165 2HD ARG 22 2HD ARG 22 -14.733 2.848 2.848 166 HE ARG 22 HE ARG 22 -15.616 4.655 4.655 167 1HH1 ARG 22 2HH2 ARG 22 -13.151 2.233 2.233 168 2HH1 ARG 22 1HH2 ARG 22 -11.798 3.179 3.179 169 1HH2 ARG 22 2HH1 ARG 22 -13.792 5.840 5.840 170 2HH2 ARG 22 1HH1 ARG 22 -12.182 5.215 5.215 171 H ILE 23 H ILE 23 -14.051 -1.877 -1.877 172 HA ILE 23 HA ILE 23 -15.284 -3.287 -3.287 173 HB ILE 23 HB ILE 23 -12.822 -3.671 -3.671 174 1HG1 ILE 23 1HG1 ILE 23 -15.360 -5.346 -5.346 175 2HG1 ILE 23 2HG1 ILE 23 -15.202 -4.005 -4.005 176 1HG2 ILE 23 2HG2 ILE 23 -12.384 -4.686 -4.686 177 2HG2 ILE 23 3HG2 ILE 23 -13.917 -5.583 -5.583 178 3HG2 ILE 23 1HG2 ILE 23 -12.587 -5.910 -5.910 179 1HD1 ILE 23 1HD1 ILE 23 -13.115 -5.115 -5.115 180 2HD1 ILE 23 2HD1 ILE 23 -13.563 -6.549 -6.549 181 3HD1 ILE 23 3HD1 ILE 23 -14.657 -5.926 -5.926 182 H TYR 24 H TYR 24 -14.290 -3.327 -3.327 183 HA TYR 24 HA TYR 24 -12.149 -1.303 -1.303 184 1HB TYR 24 1HB TYR 24 -14.173 -1.119 -1.119 185 2HB TYR 24 2HB TYR 24 -14.043 -2.812 -2.812 186 HD1 TYR 24 HD2 TYR 24 -12.207 0.465 0.465 187 HD2 TYR 24 HD1 TYR 24 -12.800 -3.409 -3.409 188 HE1 TYR 24 HE2 TYR 24 -10.891 1.175 1.175 189 HE2 TYR 24 HE1 TYR 24 -11.453 -2.704 -2.704 190 HH TYR 24 HH TYR 24 -10.152 0.608 0.608 191 H ASP 25 H ASP 25 -10.258 -2.354 -2.354 192 HA ASP 25 HA ASP 25 -9.625 -4.811 -4.811 193 1HB ASP 25 1HB ASP 25 -10.200 -5.655 -5.655 194 2HB ASP 25 2HB ASP 25 -8.999 -4.566 -4.566 195 HA PRO 26 HA PRO 26 -7.033 -1.078 -1.078 196 1HB PRO 26 1HB PRO 26 -6.410 -0.973 -0.973 197 2HB PRO 26 2HB PRO 26 -7.903 -0.319 -0.319 198 1HG PRO 26 1HG PRO 26 -7.557 -3.070 -3.070 199 2HG PRO 26 2HG PRO 26 -8.817 -1.852 -1.852 200 1HD PRO 26 1HD PRO 26 -9.196 -3.929 -3.929 201 2HD PRO 26 2HD PRO 26 -9.832 -2.315 -2.315 202 H VAL 27 H VAL 27 -4.761 -0.779 -0.779 203 HA VAL 27 HA VAL 27 -3.082 -2.969 -2.969 204 HB VAL 27 HB VAL 27 -1.829 -2.899 -2.899 205 1HG1 VAL 27 2HG1 VAL 27 -3.417 -4.765 -4.765 206 2HG1 VAL 27 3HG1 VAL 27 -4.685 -3.882 -3.882 207 3HG1 VAL 27 1HG1 VAL 27 -3.236 -4.425 -4.425 208 1HG2 VAL 27 3HG2 VAL 27 -2.649 -0.789 -0.789 209 2HG2 VAL 27 1HG2 VAL 27 -2.944 -2.123 -2.123 210 3HG2 VAL 27 2HG2 VAL 27 -4.284 -1.473 -1.473 211 H CYS 28 H CYS 28 -0.883 -2.231 -2.231 212 HA CYS 28 HA CYS 28 -0.517 0.719 0.719 213 1HB CYS 28 1HB CYS 28 -0.143 -0.248 -0.248 214 2HB CYS 28 2HB CYS 28 1.182 -1.251 -1.251 215 H GLY 29 H GLY 29 0.704 1.523 1.523 216 1HA GLY 29 1HA GLY 29 2.168 -0.178 -0.178 217 2HA GLY 29 2HA GLY 29 2.084 1.585 1.585 218 H THR 30 H THR 30 4.480 0.079 0.079 219 HA THR 30 HA THR 30 6.184 0.057 0.057 220 HB THR 30 HB THR 30 7.942 0.507 0.507 221 HG1 THR 30 HG1 THR 30 6.623 1.236 1.236 222 1HG2 THR 30 2HG2 THR 30 6.155 -1.963 -1.963 223 2HG2 THR 30 3HG2 THR 30 7.681 -1.878 -1.878 224 3HG2 THR 30 1HG2 THR 30 7.673 -1.697 -1.697 225 H ASP 31 H ASP 31 4.800 2.785 2.785 226 HA ASP 31 HA ASP 31 6.842 4.679 4.679 227 1HB ASP 31 1HB ASP 31 5.379 6.347 6.347 228 2HB ASP 31 2HB ASP 31 5.389 5.008 5.008 229 H GLY 32 H GLY 32 4.254 2.947 2.947 230 1HA GLY 32 1HA GLY 32 4.069 2.927 2.927 231 2HA GLY 32 2HA GLY 32 4.612 4.596 4.596 232 H VAL 33 H VAL 33 2.486 4.526 4.526 233 HA VAL 33 HA VAL 33 0.467 5.858 5.858 234 HB VAL 33 HB VAL 33 0.919 5.621 5.621 235 1HG1 VAL 33 3HG1 VAL 33 -1.236 7.119 7.119 236 2HG1 VAL 33 1HG1 VAL 33 -0.792 7.426 7.426 237 3HG1 VAL 33 2HG1 VAL 33 -1.444 5.857 5.857 238 1HG2 VAL 33 2HG2 VAL 33 1.262 7.882 7.882 239 2HG2 VAL 33 3HG2 VAL 33 2.545 7.037 7.037 240 3HG2 VAL 33 1HG2 VAL 33 1.399 8.071 8.071 241 H THR 34 H THR 34 -1.653 5.204 5.204 242 HA THR 34 HA THR 34 -2.285 2.381 2.381 243 HB THR 34 HB THR 34 -3.916 4.709 4.709 244 HG1 THR 34 HG1 THR 34 -2.023 3.986 3.986 245 1HG2 THR 34 2HG2 THR 34 -4.527 1.732 1.732 246 2HG2 THR 34 3HG2 THR 34 -5.426 3.030 3.030 247 3HG2 THR 34 1HG2 THR 34 -5.409 2.971 2.971 248 H TYR 35 H TYR 35 -3.658 1.654 1.654 249 HA TYR 35 HA TYR 35 -5.158 3.635 3.635 250 1HB TYR 35 1HB TYR 35 -3.620 1.221 1.221 251 2HB TYR 35 2HB TYR 35 -4.656 2.265 2.265 252 HD1 TYR 35 HD2 TYR 35 -1.423 1.991 1.991 253 HD2 TYR 35 HD1 TYR 35 -3.878 4.580 4.580 254 HE1 TYR 35 HE2 TYR 35 0.463 3.543 3.543 255 HE2 TYR 35 HE1 TYR 35 -1.912 6.007 6.007 256 HH TYR 35 HH TYR 35 1.218 5.681 5.681 257 H GLU 36 H GLU 36 -7.306 3.070 3.070 258 HA GLU 36 HA GLU 36 -8.191 0.873 0.873 259 1HB GLU 36 1HB GLU 36 -9.835 2.546 2.546 260 2HB GLU 36 2HB GLU 36 -10.369 1.633 1.633 261 1HG GLU 36 1HG GLU 36 -10.357 3.754 3.754 262 2HG GLU 36 2HG GLU 36 -8.748 3.229 3.229 263 H SER 37 H SER 37 -7.315 1.096 1.096 264 HA SER 37 HA SER 37 -8.247 -1.602 -1.602 265 1HB SER 37 1HB SER 37 -9.209 -0.477 -0.477 266 2HB SER 37 2HB SER 37 -10.216 -0.644 -0.644 267 HG SER 37 HG SER 37 -9.749 1.482 1.482 268 H GLU 38 H GLU 38 -6.589 -2.528 -2.528 269 HA GLU 38 HA GLU 38 -4.193 -1.063 -1.063 270 1HB GLU 38 1HB GLU 38 -4.519 -3.488 -3.488 271 2HB GLU 38 2HB GLU 38 -3.143 -2.929 -2.929 272 1HG GLU 38 1HG GLU 38 -3.807 -4.576 -4.576 273 2HG GLU 38 2HG GLU 38 -4.949 -3.391 -3.391 274 H CYS 39 H CYS 39 -6.655 -1.344 -1.344 275 HA CYS 39 HA CYS 39 -5.325 -0.535 -0.535 276 1HB CYS 39 1HB CYS 39 -7.723 -0.856 -0.856 277 2HB CYS 39 2HB CYS 39 -7.897 0.567 0.567 278 H LYS 40 H LYS 40 -6.146 1.464 1.464 279 HA LYS 40 HA LYS 40 -5.175 3.998 3.998 280 1HB LYS 40 1HB LYS 40 -5.280 3.172 3.172 281 2HB LYS 40 2HB LYS 40 -5.227 4.814 4.814 282 1HG LYS 40 1HG LYS 40 -7.555 4.421 4.421 283 2HG LYS 40 2HG LYS 40 -7.522 2.807 2.807 284 1HD LYS 40 1HD LYS 40 -8.641 4.076 4.076 285 2HD LYS 40 2HD LYS 40 -6.991 3.967 3.967 286 1HE LYS 40 1HE LYS 40 -6.672 6.308 6.308 287 2HE LYS 40 2HE LYS 40 -8.437 6.310 6.310 288 1HZ LYS 40 1HZ LYS 40 -8.165 5.937 5.937 289 2HZ LYS 40 2HZ LYS 40 -6.628 6.389 6.389 290 3HZ LYS 40 3HZ LYS 40 -7.829 7.434 7.434 291 H LEU 41 H LEU 41 -3.617 1.280 1.280 292 HA LEU 41 HA LEU 41 -1.123 2.690 2.690 293 1HB LEU 41 1HB LEU 41 -1.794 0.756 0.756 294 2HB LEU 41 2HB LEU 41 -1.747 -0.306 -0.306 295 HG LEU 41 HG LEU 41 0.728 1.271 1.271 296 1HD1 LEU 41 1HD1 LEU 41 -0.333 -1.173 -1.173 297 2HD1 LEU 41 2HD1 LEU 41 1.380 -0.696 -0.696 298 3HD1 LEU 41 3HD1 LEU 41 0.131 0.383 0.383 299 1HD2 LEU 41 2HD2 LEU 41 0.224 -1.515 -1.515 300 2HD2 LEU 41 3HD2 LEU 41 0.821 -0.114 -0.114 301 3HD2 LEU 41 1HD2 LEU 41 1.831 -0.849 -0.849 302 H CYS 42 H CYS 42 -2.368 0.427 0.427 303 HA CYS 42 HA CYS 42 -0.167 0.283 0.283 304 1HB CYS 42 1HB CYS 42 -3.174 0.108 0.108 305 2HB CYS 42 2HB CYS 42 -2.148 0.112 0.112 306 H LEU 43 H LEU 43 -2.948 2.548 2.548 307 HA LEU 43 HA LEU 43 -2.120 4.332 4.332 308 1HB LEU 43 1HB LEU 43 -3.698 4.566 4.566 309 2HB LEU 43 2HB LEU 43 -3.391 6.024 6.024 310 HG LEU 43 HG LEU 43 -4.610 3.562 3.562 311 1HD1 LEU 43 3HD1 LEU 43 -6.042 5.821 5.821 312 2HD1 LEU 43 1HD1 LEU 43 -6.822 4.749 4.749 313 3HD1 LEU 43 2HD1 LEU 43 -6.160 4.073 4.073 314 1HD2 LEU 43 1HD2 LEU 43 -3.693 5.447 5.447 315 2HD2 LEU 43 2HD2 LEU 43 -5.447 5.223 5.223 316 3HD2 LEU 43 3HD2 LEU 43 -4.808 6.542 6.542 317 H ALA 44 H ALA 44 -1.377 4.588 4.588 318 HA ALA 44 HA ALA 44 0.436 6.710 6.710 319 1HB ALA 44 2HB ALA 44 -0.457 5.829 5.829 320 2HB ALA 44 3HB ALA 44 0.576 4.395 4.395 321 3HB ALA 44 1HB ALA 44 1.309 5.993 5.993 322 H ARG 45 H ARG 45 1.009 3.252 3.252 323 HA ARG 45 HA ARG 45 3.855 3.321 3.321 324 1HB ARG 45 1HB ARG 45 2.075 1.365 1.365 325 2HB ARG 45 2HB ARG 45 2.106 1.437 1.437 326 1HG ARG 45 1HG ARG 45 4.451 0.865 0.865 327 2HG ARG 45 2HG ARG 45 4.566 1.071 1.071 328 1HD ARG 45 1HD ARG 45 2.818 -0.749 -0.749 329 2HD ARG 45 2HD ARG 45 2.918 -1.063 -1.063 330 HE ARG 45 HE ARG 45 5.122 -1.355 -1.355 331 1HH1 ARG 45 2HH2 ARG 45 3.658 -2.747 -2.747 332 2HH1 ARG 45 1HH2 ARG 45 4.714 -4.138 -4.138 333 1HH2 ARG 45 2HH1 ARG 45 6.770 -2.947 -2.947 334 2HH2 ARG 45 1HH1 ARG 45 6.382 -4.239 -4.239 335 H ILE 46 H ILE 46 1.243 4.069 4.069 336 HA ILE 46 HA ILE 46 3.108 4.538 4.538 337 HB ILE 46 HB ILE 46 0.276 5.618 5.618 338 1HG1 ILE 46 1HG1 ILE 46 1.049 3.111 3.111 339 2HG1 ILE 46 2HG1 ILE 46 0.379 3.072 3.072 340 1HG2 ILE 46 2HG2 ILE 46 1.669 6.778 6.778 341 2HG2 ILE 46 3HG2 ILE 46 1.990 5.221 5.221 342 3HG2 ILE 46 1HG2 ILE 46 0.348 5.892 5.892 343 1HD1 ILE 46 2HD1 ILE 46 -1.576 4.466 4.466 344 2HD1 ILE 46 3HD1 ILE 46 -1.005 4.093 4.093 345 3HD1 ILE 46 1HD1 ILE 46 -1.474 2.788 2.788 346 H GLU 47 H GLU 47 1.155 6.729 6.729 347 HA GLU 47 HA GLU 47 2.191 9.044 9.044 348 1HB GLU 47 1HB GLU 47 1.320 8.671 8.671 349 2HB GLU 47 2HB GLU 47 1.469 10.191 10.191 350 1HG GLU 47 1HG GLU 47 -0.194 9.229 9.229 351 2HG GLU 47 2HG GLU 47 -0.521 7.938 7.938 352 H ASN 48 H ASN 48 3.431 7.232 7.232 353 HA ASN 48 HA ASN 48 5.645 9.067 9.067 354 1HB ASN 48 1HB ASN 48 5.100 6.283 6.283 355 2HB ASN 48 2HB ASN 48 6.473 7.287 7.287 356 1HD2 ASN 48 2HD2 ASN 48 2.825 8.261 8.261 357 2HD2 ASN 48 1HD2 ASN 48 2.926 7.209 7.209 358 H LYS 49 H LYS 49 5.148 6.394 6.394 359 HA LYS 49 HA LYS 49 6.545 5.036 5.036 360 1HB LYS 49 1HB LYS 49 8.086 7.674 7.674 361 2HB LYS 49 2HB LYS 49 8.663 6.326 6.326 362 1HG LYS 49 1HG LYS 49 5.880 7.367 7.367 363 2HG LYS 49 2HG LYS 49 7.272 8.149 8.149 364 1HD LYS 49 1HD LYS 49 6.207 6.669 6.669 365 2HD LYS 49 2HD LYS 49 7.898 6.281 6.281 366 1HE LYS 49 1HE LYS 49 5.698 4.803 4.803 367 2HE LYS 49 2HE LYS 49 6.041 4.378 4.378 368 1HZ LYS 49 1HZ LYS 49 8.381 4.405 4.405 369 2HZ LYS 49 2HZ LYS 49 7.287 3.178 3.178 370 3HZ LYS 49 3HZ LYS 49 8.029 3.489 3.489 371 H GLN 50 H GLN 50 6.582 4.390 4.390 372 HA GLN 50 HA GLN 50 9.466 3.802 3.802 373 1HB GLN 50 1HB GLN 50 7.161 4.429 4.429 374 2HB GLN 50 2HB GLN 50 8.704 3.747 3.747 375 1HG GLN 50 1HG GLN 50 8.433 6.407 6.407 376 2HG GLN 50 2HG GLN 50 8.548 6.221 6.221 377 1HE2 GLN 50 2HE2 GLN 50 12.068 5.737 5.737 378 2HE2 GLN 50 1HE2 GLN 50 10.613 5.759 5.759 379 H ASP 51 H ASP 51 9.836 1.831 1.831 380 HA ASP 51 HA ASP 51 8.076 -0.346 -0.346 381 1HB ASP 51 1HB ASP 51 10.536 -0.677 -0.677 382 2HB ASP 51 2HB ASP 51 10.603 -0.421 -0.421 383 H ILE 52 H ILE 52 6.285 0.701 0.701 384 HA ILE 52 HA ILE 52 6.431 0.565 0.565 385 HB ILE 52 HB ILE 52 3.964 0.844 0.844 386 1HG1 ILE 52 1HG1 ILE 52 5.877 2.895 2.895 387 2HG1 ILE 52 2HG1 ILE 52 5.530 2.646 2.646 388 1HG2 ILE 52 1HG2 ILE 52 3.552 0.159 0.159 389 2HG2 ILE 52 2HG2 ILE 52 4.378 1.651 1.651 390 3HG2 ILE 52 3HG2 ILE 52 2.894 1.705 1.705 391 1HD1 ILE 52 2HD1 ILE 52 3.099 3.296 3.296 392 2HD1 ILE 52 3HD1 ILE 52 3.776 3.905 3.905 393 3HD1 ILE 52 1HD1 ILE 52 4.331 4.578 4.578 394 H GLN 53 H GLN 53 5.488 -1.103 -1.103 395 HA GLN 53 HA GLN 53 3.973 -3.259 -3.259 396 1HB GLN 53 1HB GLN 53 6.527 -3.780 -3.780 397 2HB GLN 53 2HB GLN 53 5.220 -4.946 -4.946 398 1HG GLN 53 1HG GLN 53 5.458 -4.525 -4.525 399 2HG GLN 53 2HG GLN 53 7.036 -3.893 -3.893 400 1HE2 GLN 53 2HE2 GLN 53 7.901 -7.316 -7.316 401 2HE2 GLN 53 1HE2 GLN 53 7.707 -5.768 -5.768 402 H ILE 54 H ILE 54 2.960 -4.639 -4.639 403 HA ILE 54 HA ILE 54 1.762 -2.818 -2.818 404 HB ILE 54 HB ILE 54 1.072 -5.522 -5.522 405 1HG1 ILE 54 1HG1 ILE 54 -0.749 -3.167 -3.167 406 2HG1 ILE 54 2HG1 ILE 54 0.560 -3.320 -3.320 407 1HG2 ILE 54 2HG2 ILE 54 -0.085 -4.093 -4.093 408 2HG2 ILE 54 3HG2 ILE 54 -1.048 -5.276 -5.276 409 3HG2 ILE 54 1HG2 ILE 54 0.433 -5.774 -5.774 410 1HD1 ILE 54 2HD1 ILE 54 -1.561 -5.443 -5.443 411 2HD1 ILE 54 3HD1 ILE 54 -1.482 -4.323 -4.323 412 3HD1 ILE 54 1HD1 ILE 54 -0.222 -5.544 -5.544 413 H VAL 55 H VAL 55 2.919 -2.783 -2.783 414 HA VAL 55 HA VAL 55 4.838 -4.879 -4.879 415 HB VAL 55 HB VAL 55 3.823 -2.490 -2.490 416 1HG1 VAL 55 3HG1 VAL 55 6.262 -4.281 -4.281 417 2HG1 VAL 55 1HG1 VAL 55 5.949 -2.756 -2.756 418 3HG1 VAL 55 2HG1 VAL 55 4.872 -4.124 -4.124 419 1HG2 VAL 55 2HG2 VAL 55 6.290 -2.890 -2.890 420 2HG2 VAL 55 3HG2 VAL 55 4.896 -1.846 -1.846 421 3HG2 VAL 55 1HG2 VAL 55 5.934 -1.473 -1.473 422 H LYS 56 H LYS 56 1.543 -4.005 -4.005 423 HA LYS 56 HA LYS 56 1.160 -6.705 -6.705 424 1HB LYS 56 1HB LYS 56 0.232 -6.058 -6.058 425 2HB LYS 56 2HB LYS 56 1.981 -6.091 -6.091 426 1HG LYS 56 1HG LYS 56 2.188 -3.762 -3.762 427 2HG LYS 56 2HG LYS 56 0.519 -3.473 -3.473 428 1HD LYS 56 1HD LYS 56 -0.440 -4.117 -4.117 429 2HD LYS 56 2HD LYS 56 1.050 -4.860 -4.860 430 1HE LYS 56 1HE LYS 56 2.095 -2.793 -2.793 431 2HE LYS 56 2HE LYS 56 1.070 -1.931 -1.931 432 1HZ LYS 56 1HZ LYS 56 0.125 -2.972 -2.972 433 2HZ LYS 56 2HZ LYS 56 0.577 -1.410 -1.410 434 3HZ LYS 56 3HZ LYS 56 -0.728 -2.008 -2.008 435 H ASP 57 H ASP 57 -1.070 -7.041 -7.041 436 HA ASP 57 HA ASP 57 -3.024 -5.538 -5.538 437 1HB ASP 57 1HB ASP 57 -3.325 -7.401 -7.401 438 2HB ASP 57 2HB ASP 57 -4.628 -6.868 -6.868 439 H GLY 58 H GLY 58 -4.617 -4.228 -4.228 440 1HA GLY 58 1HA GLY 58 -5.531 -2.801 -2.801 441 2HA GLY 58 2HA GLY 58 -4.699 -3.598 -3.598 442 H GLU 59 H GLU 59 -4.976 -1.217 -1.217 443 HA GLU 59 HA GLU 59 -3.461 0.831 0.831 444 1HB GLU 59 1HB GLU 59 -4.374 0.724 0.724 445 2HB GLU 59 2HB GLU 59 -4.014 2.150 2.150 446 1HG GLU 59 1HG GLU 59 -5.920 1.453 1.453 447 2HG GLU 59 2HG GLU 59 -6.356 0.211 0.211 448 H CYS 60 H CYS 60 -1.623 1.986 1.986 449 HA CYS 60 HA CYS 60 0.455 0.083 0.083 450 1HB CYS 60 1HB CYS 60 0.471 2.684 2.684 451 2HB CYS 60 2HB CYS 60 1.365 2.612 2.612 Start of MODEL 4 1 1H GLU 1 1HN GLU 1 2.879 -11.428 -11.428 2 2H GLU 1 2HN GLU 1 4.270 -11.102 -11.102 3 3H GLU 1 3HN GLU 1 3.150 -9.894 -9.894 4 HA GLU 1 HA GLU 1 3.614 -9.828 -9.828 5 1HB GLU 1 1HB GLU 1 5.843 -9.298 -9.298 6 2HB GLU 1 2HB GLU 1 5.494 -8.936 -8.936 7 1HG GLU 1 1HG GLU 1 7.072 -11.317 -11.317 8 2HG GLU 1 2HG GLU 1 7.719 -9.845 -9.845 9 H LYS 2 H LYS 2 5.268 -12.740 -12.740 10 HA LYS 2 HA LYS 2 6.127 -14.493 -14.493 11 1HB LYS 2 1HB LYS 2 4.824 -15.982 -15.982 12 2HB LYS 2 2HB LYS 2 3.802 -15.306 -15.306 13 1HG LYS 2 1HG LYS 2 2.352 -14.312 -14.312 14 2HG LYS 2 2HG LYS 2 3.607 -13.956 -13.956 15 1HD LYS 2 1HD LYS 2 2.129 -15.603 -15.603 16 2HD LYS 2 2HD LYS 2 3.765 -16.215 -16.215 17 1HE LYS 2 1HE LYS 2 2.224 -17.976 -17.976 18 2HE LYS 2 2HE LYS 2 3.110 -17.486 -17.486 19 1HZ LYS 2 3HZ LYS 2 1.164 -16.148 -16.148 20 2HZ LYS 2 1HZ LYS 2 0.334 -16.738 -16.738 21 3HZ LYS 2 2HZ LYS 2 0.852 -17.730 -17.730 22 H GLN 3 H GLN 3 5.739 -15.297 -15.297 23 HA GLN 3 HA GLN 3 7.698 -13.512 -13.512 24 1HB GLN 3 1HB GLN 3 7.571 -15.929 -15.929 25 2HB GLN 3 2HB GLN 3 5.951 -15.706 -15.706 26 1HG GLN 3 1HG GLN 3 7.571 -15.883 -15.883 27 2HG GLN 3 2HG GLN 3 6.894 -14.251 -14.251 28 1HE2 GLN 3 2HE2 GLN 3 10.325 -13.345 -13.345 29 2HE2 GLN 3 1HE2 GLN 3 8.850 -13.696 -13.696 30 H VAL 4 H VAL 4 6.488 -11.518 -11.518 31 HA VAL 4 HA VAL 4 4.602 -10.848 -10.848 32 HB VAL 4 HB VAL 4 5.122 -9.614 -9.614 33 1HG1 VAL 4 1HG1 VAL 4 4.069 -8.120 -8.120 34 2HG1 VAL 4 2HG1 VAL 4 3.792 -7.608 -7.608 35 3HG1 VAL 4 3HG1 VAL 4 5.432 -7.653 -7.653 36 1HG2 VAL 4 3HG2 VAL 4 3.143 -11.217 -11.217 37 2HG2 VAL 4 1HG2 VAL 4 2.761 -9.718 -9.718 38 3HG2 VAL 4 2HG2 VAL 4 2.523 -9.808 -9.808 39 H PHE 5 H PHE 5 5.870 -10.488 -10.488 40 HA PHE 5 HA PHE 5 7.904 -8.382 -8.382 41 1HB PHE 5 1HB PHE 5 8.429 -11.168 -11.168 42 2HB PHE 5 2HB PHE 5 9.208 -9.754 -9.754 43 HD1 PHE 5 1HD PHE 5 8.778 -11.593 -11.593 44 HD2 PHE 5 1HD PHE 5 10.972 -8.582 -8.582 45 HE1 PHE 5 1HE PHE 5 10.382 -11.416 -11.416 46 HE2 PHE 5 2HE PHE 5 12.538 -8.372 -8.372 47 HZ PHE 5 HZ PHE 5 12.308 -9.823 -9.823 48 H SER 6 H SER 6 7.983 -7.208 -7.208 49 HA SER 6 HA SER 6 5.363 -6.877 -6.877 50 1HB SER 6 1HB SER 6 6.427 -5.426 -5.426 51 2HB SER 6 2HB SER 6 6.706 -4.963 -4.963 52 HG SER 6 HG SER 6 8.669 -4.957 -4.957 53 H ARG 7 H ARG 7 4.140 -7.151 -7.151 54 HA ARG 7 HA ARG 7 4.870 -9.570 -9.570 55 1HB ARG 7 1HB ARG 7 2.349 -9.764 -9.764 56 2HB ARG 7 2HB ARG 7 3.131 -10.417 -10.417 57 1HG ARG 7 1HG ARG 7 2.347 -8.634 -8.634 58 2HG ARG 7 2HG ARG 7 1.724 -7.719 -7.719 59 1HD ARG 7 1HD ARG 7 0.004 -9.299 -9.299 60 2HD ARG 7 2HD ARG 7 0.773 -10.558 -10.558 61 HE ARG 7 HE ARG 7 -1.063 -8.503 -8.503 62 1HH1 ARG 7 2HH2 ARG 7 1.280 -11.081 -11.081 63 2HH1 ARG 7 1HH2 ARG 7 1.008 -10.746 -10.746 64 1HH2 ARG 7 2HH1 ARG 7 -1.636 -8.560 -8.560 65 2HH2 ARG 7 1HH1 ARG 7 -0.971 -9.634 -9.634 66 H MET 8 H MET 8 5.526 -8.797 -8.797 67 HA MET 8 HA MET 8 4.954 -6.312 -6.312 68 1HB MET 8 1HB MET 8 5.732 -8.984 -8.984 69 2HB MET 8 2HB MET 8 5.329 -7.688 -7.688 70 1HG MET 8 1HG MET 8 7.481 -7.549 -7.549 71 2HG MET 8 2HG MET 8 7.762 -7.690 -7.690 72 1HE MET 8 1HE MET 8 6.978 -5.756 -5.756 73 2HE MET 8 2HE MET 8 5.378 -5.596 -5.596 74 3HE MET 8 3HE MET 8 6.372 -4.173 -4.173 75 HA PRO 9 HA PRO 9 0.679 -6.979 -6.979 76 1HB PRO 9 1HB PRO 9 -0.214 -4.693 -4.693 77 2HB PRO 9 2HB PRO 9 0.252 -4.809 -4.809 78 1HG PRO 9 1HG PRO 9 1.944 -3.694 -3.694 79 2HG PRO 9 2HG PRO 9 1.769 -3.106 -3.106 80 1HD PRO 9 1HD PRO 9 3.881 -4.648 -4.648 81 2HD PRO 9 2HD PRO 9 3.157 -4.781 -4.781 82 H ILE 10 H ILE 10 -0.865 -7.764 -7.764 83 HA ILE 10 HA ILE 10 0.303 -8.557 -8.557 84 HB ILE 10 HB ILE 10 -1.988 -9.687 -9.687 85 1HG1 ILE 10 1HG1 ILE 10 0.455 -10.078 -10.078 86 2HG1 ILE 10 2HG1 ILE 10 -0.685 -11.404 -11.404 87 1HG2 ILE 10 3HG2 ILE 10 -0.758 -10.523 -10.523 88 2HG2 ILE 10 1HG2 ILE 10 -1.790 -11.585 -11.585 89 3HG2 ILE 10 2HG2 ILE 10 -2.431 -10.085 -10.085 90 1HD1 ILE 10 2HD1 ILE 10 1.370 -10.795 -10.795 91 2HD1 ILE 10 3HD1 ILE 10 1.596 -11.964 -11.964 92 3HD1 ILE 10 1HD1 ILE 10 0.342 -12.235 -12.235 93 H CYS 11 H CYS 11 0.045 -6.669 -6.669 94 HA CYS 11 HA CYS 11 -2.708 -5.669 -5.669 95 1HB CYS 11 1HB CYS 11 -0.273 -4.146 -4.146 96 2HB CYS 11 2HB CYS 11 -1.672 -3.445 -3.445 97 H GLU 12 H GLU 12 -2.116 -6.980 -6.980 98 HA GLU 12 HA GLU 12 -0.521 -5.625 -5.625 99 1HB GLU 12 1HB GLU 12 0.694 -7.539 -7.539 100 2HB GLU 12 2HB GLU 12 -0.218 -8.623 -8.623 101 1HG GLU 12 1HG GLU 12 1.716 -6.424 -6.424 102 2HG GLU 12 2HG GLU 12 2.118 -8.132 -8.132 103 H HIS 13 H HIS 13 -2.921 -8.151 -8.151 104 HA HIS 13 HA HIS 13 -4.422 -7.363 -7.363 105 1HB HIS 13 1HB HIS 13 -3.508 -10.202 -10.202 106 2HB HIS 13 2HB HIS 13 -5.052 -9.876 -9.876 107 HD1 HIS 13 HD1 HIS 13 -1.292 -8.955 -8.955 108 HD2 HIS 13 HD2 HIS 13 -5.073 -9.165 -9.165 109 HE1 HIS 13 HE1 HIS 13 -0.957 -8.209 -8.209 110 HE2 HIS 13 HE2 HIS 13 -3.263 -8.306 -8.306 111 H MET 14 H MET 14 -6.773 -7.858 -7.858 112 HA MET 14 HA MET 14 -7.448 -7.625 -7.625 113 1HB MET 14 1HB MET 14 -9.180 -8.047 -8.047 114 2HB MET 14 2HB MET 14 -9.784 -7.724 -7.724 115 1HG MET 14 1HG MET 14 -8.467 -5.556 -5.556 116 2HG MET 14 2HG MET 14 -8.201 -5.837 -5.837 117 1HE MET 14 1HE MET 14 -10.404 -6.455 -6.455 118 2HE MET 14 2HE MET 14 -11.299 -7.341 -7.341 119 3HE MET 14 3HE MET 14 -12.050 -5.963 -5.963 120 H THR 15 H THR 15 -6.048 -9.847 -9.847 121 HA THR 15 HA THR 15 -7.827 -12.204 -12.204 122 HB THR 15 HB THR 15 -5.849 -13.133 -13.133 123 HG1 THR 15 HG1 THR 15 -6.487 -13.814 -13.814 124 1HG2 THR 15 3HG2 THR 15 -4.434 -10.917 -10.917 125 2HG2 THR 15 1HG2 THR 15 -3.658 -12.319 -12.319 126 3HG2 THR 15 2HG2 THR 15 -4.475 -11.145 -11.145 127 H GLU 16 H GLU 16 -6.306 -9.954 -9.954 128 HA GLU 16 HA GLU 16 -7.716 -10.347 -10.347 129 1HB GLU 16 1HB GLU 16 -6.963 -7.798 -7.798 130 2HB GLU 16 2HB GLU 16 -7.837 -7.727 -7.727 131 1HG GLU 16 1HG GLU 16 -5.417 -7.573 -7.573 132 2HG GLU 16 2HG GLU 16 -6.099 -9.004 -9.004 133 H SER 17 H SER 17 -8.877 -8.557 -8.557 134 HA SER 17 HA SER 17 -10.962 -8.483 -8.483 135 1HB SER 17 1HB SER 17 -12.318 -9.199 -9.199 136 2HB SER 17 2HB SER 17 -13.036 -9.116 -9.116 137 HG SER 17 HG SER 17 -10.941 -10.903 -10.903 138 HA PRO 18 HA PRO 18 -10.686 -4.365 -4.365 139 1HB PRO 18 1HB PRO 18 -13.013 -3.153 -3.153 140 2HB PRO 18 2HB PRO 18 -11.681 -3.766 -3.766 141 1HG PRO 18 1HG PRO 18 -14.313 -5.081 -5.081 142 2HG PRO 18 2HG PRO 18 -13.383 -5.098 -5.098 143 1HD PRO 18 1HD PRO 18 -13.413 -7.189 -7.189 144 2HD PRO 18 2HD PRO 18 -12.027 -6.840 -6.840 145 H ASP 19 H ASP 19 -10.576 -3.570 -3.570 146 HA ASP 19 HA ASP 19 -13.091 -2.985 -2.985 147 1HB ASP 19 1HB ASP 19 -12.354 -4.016 -4.016 148 2HB ASP 19 2HB ASP 19 -11.759 -5.161 -5.161 149 H CYS 20 H CYS 20 -11.315 -1.326 -1.326 150 HA CYS 20 HA CYS 20 -10.434 0.695 0.695 151 1HB CYS 20 1HB CYS 20 -10.226 0.527 0.527 152 2HB CYS 20 2HB CYS 20 -10.366 2.105 2.105 153 H SER 21 H SER 21 -12.592 0.350 0.350 154 HA SER 21 HA SER 21 -14.844 1.900 1.900 155 1HB SER 21 1HB SER 21 -15.296 -0.490 -0.490 156 2HB SER 21 2HB SER 21 -14.748 -0.418 -0.418 157 HG SER 21 HG SER 21 -17.041 0.907 0.907 158 H ARG 22 H ARG 22 -16.104 2.150 2.150 159 HA ARG 22 HA ARG 22 -14.400 3.789 3.789 160 1HB ARG 22 1HB ARG 22 -17.343 3.690 3.690 161 2HB ARG 22 2HB ARG 22 -16.857 4.284 4.284 162 1HG ARG 22 1HG ARG 22 -15.454 5.423 5.423 163 2HG ARG 22 2HG ARG 22 -17.136 5.851 5.851 164 1HD ARG 22 1HD ARG 22 -14.834 6.211 6.211 165 2HD ARG 22 2HD ARG 22 -15.545 7.491 7.491 166 HE ARG 22 HE ARG 22 -17.593 7.388 7.388 167 1HH1 ARG 22 2HH2 ARG 22 -14.915 5.786 5.786 168 2HH1 ARG 22 1HH2 ARG 22 -15.882 5.366 5.366 169 1HH2 ARG 22 2HH1 ARG 22 -18.757 7.023 7.023 170 2HH2 ARG 22 1HH1 ARG 22 -18.209 5.796 5.796 171 H ILE 23 H ILE 23 -14.173 0.801 0.801 172 HA ILE 23 HA ILE 23 -15.658 -0.043 -0.043 173 HB ILE 23 HB ILE 23 -13.599 -1.474 -1.474 174 1HG1 ILE 23 1HG1 ILE 23 -16.612 -1.826 -1.826 175 2HG1 ILE 23 2HG1 ILE 23 -15.853 -1.094 -1.094 176 1HG2 ILE 23 3HG2 ILE 23 -15.118 -2.469 -2.469 177 2HG2 ILE 23 1HG2 ILE 23 -14.138 -3.474 -3.474 178 3HG2 ILE 23 2HG2 ILE 23 -13.365 -2.234 -2.234 179 1HD1 ILE 23 1HD1 ILE 23 -14.620 -3.302 -3.302 180 2HD1 ILE 23 2HD1 ILE 23 -15.718 -3.980 -3.980 181 3HD1 ILE 23 3HD1 ILE 23 -16.376 -3.330 -3.330 182 H TYR 24 H TYR 24 -14.762 -0.198 -0.198 183 HA TYR 24 HA TYR 24 -12.258 1.343 1.343 184 1HB TYR 24 1HB TYR 24 -14.545 1.702 1.702 185 2HB TYR 24 2HB TYR 24 -14.243 0.223 0.223 186 HD1 TYR 24 HD1 TYR 24 -11.933 0.102 0.102 187 HD2 TYR 24 HD2 TYR 24 -14.025 3.690 3.690 188 HE1 TYR 24 HE1 TYR 24 -10.858 1.337 1.337 189 HE2 TYR 24 HE2 TYR 24 -13.080 4.851 4.851 190 HH TYR 24 HH TYR 24 -10.404 3.587 3.587 191 H ASP 25 H ASP 25 -10.559 -0.190 -0.190 192 HA ASP 25 HA ASP 25 -10.489 -2.524 -2.524 193 1HB ASP 25 1HB ASP 25 -11.431 -3.385 -3.385 194 2HB ASP 25 2HB ASP 25 -9.950 -2.843 -2.843 195 HA PRO 26 HA PRO 26 -6.906 0.102 0.102 196 1HB PRO 26 1HB PRO 26 -6.034 0.222 0.222 197 2HB PRO 26 2HB PRO 26 -7.008 1.430 1.430 198 1HG PRO 26 1HG PRO 26 -7.902 -0.822 -0.822 199 2HG PRO 26 2HG PRO 26 -8.580 0.843 0.843 200 1HD PRO 26 1HD PRO 26 -9.798 -1.300 -1.300 201 2HD PRO 26 2HD PRO 26 -9.732 0.282 0.282 202 H VAL 27 H VAL 27 -4.633 -0.220 -0.220 203 HA VAL 27 HA VAL 27 -3.535 -2.720 -2.720 204 HB VAL 27 HB VAL 27 -2.423 -3.261 -3.261 205 1HG1 VAL 27 1HG1 VAL 27 -4.658 -4.305 -4.305 206 2HG1 VAL 27 2HG1 VAL 27 -5.425 -3.061 -3.061 207 3HG1 VAL 27 3HG1 VAL 27 -4.289 -4.205 -4.205 208 1HG2 VAL 27 3HG2 VAL 27 -2.364 -1.014 -1.014 209 2HG2 VAL 27 1HG2 VAL 27 -3.098 -2.213 -2.213 210 3HG2 VAL 27 2HG2 VAL 27 -4.128 -1.055 -1.055 211 H CYS 28 H CYS 28 -1.263 -2.548 -2.548 212 HA CYS 28 HA CYS 28 -0.479 0.249 0.249 213 1HB CYS 28 1HB CYS 28 -0.322 -1.414 -1.414 214 2HB CYS 28 2HB CYS 28 0.700 -2.417 -2.417 215 H GLY 29 H GLY 29 0.778 1.337 1.337 216 1HA GLY 29 1HA GLY 29 2.310 -0.035 -0.035 217 2HA GLY 29 2HA GLY 29 2.211 1.700 1.700 218 H THR 30 H THR 30 4.579 -0.155 -0.155 219 HA THR 30 HA THR 30 6.178 -0.198 -0.198 220 HB THR 30 HB THR 30 8.079 -0.183 -0.183 221 HG1 THR 30 HG1 THR 30 6.821 0.792 0.792 222 1HG2 THR 30 3HG2 THR 30 5.890 -2.286 -2.286 223 2HG2 THR 30 1HG2 THR 30 7.522 -2.491 -2.491 224 3HG2 THR 30 2HG2 THR 30 7.335 -2.205 -2.205 225 H ASP 31 H ASP 31 5.045 2.526 2.526 226 HA ASP 31 HA ASP 31 7.333 4.289 4.289 227 1HB ASP 31 1HB ASP 31 5.723 5.969 5.969 228 2HB ASP 31 2HB ASP 31 5.717 4.605 4.605 229 H GLY 32 H GLY 32 4.670 2.982 2.982 230 1HA GLY 32 1HA GLY 32 4.580 3.083 3.083 231 2HA GLY 32 2HA GLY 32 5.396 4.652 4.652 232 H VAL 33 H VAL 33 2.904 4.113 4.113 233 HA VAL 33 HA VAL 33 0.923 5.624 5.624 234 HB VAL 33 HB VAL 33 1.418 5.721 5.721 235 1HG1 VAL 33 2HG1 VAL 33 -0.912 6.114 6.114 236 2HG1 VAL 33 3HG1 VAL 33 -0.406 7.378 7.378 237 3HG1 VAL 33 1HG1 VAL 33 -0.147 7.569 7.569 238 1HG2 VAL 33 2HG2 VAL 33 2.141 7.737 7.737 239 2HG2 VAL 33 3HG2 VAL 33 3.278 6.851 6.851 240 3HG2 VAL 33 1HG2 VAL 33 2.200 8.062 8.062 241 H THR 34 H THR 34 -1.079 4.708 4.708 242 HA THR 34 HA THR 34 -1.544 2.152 2.152 243 HB THR 34 HB THR 34 -3.399 3.792 3.792 244 HG1 THR 34 HG1 THR 34 -1.346 1.938 1.938 245 1HG2 THR 34 1HG2 THR 34 -4.469 1.969 1.969 246 2HG2 THR 34 2HG2 THR 34 -3.319 0.804 0.804 247 3HG2 THR 34 3HG2 THR 34 -4.468 1.665 1.665 248 H TYR 35 H TYR 35 -2.697 1.881 1.881 249 HA TYR 35 HA TYR 35 -4.024 4.219 4.219 250 1HB TYR 35 1HB TYR 35 -2.862 1.628 1.628 251 2HB TYR 35 2HB TYR 35 -3.854 2.737 2.737 252 HD1 TYR 35 HD1 TYR 35 -0.619 2.449 2.449 253 HD2 TYR 35 HD2 TYR 35 -2.992 4.835 4.835 254 HE1 TYR 35 HE1 TYR 35 1.255 4.011 4.011 255 HE2 TYR 35 HE2 TYR 35 -1.088 6.400 6.400 256 HH TYR 35 HH TYR 35 1.944 5.960 5.960 257 H GLU 36 H GLU 36 -6.081 3.599 3.599 258 HA GLU 36 HA GLU 36 -7.762 2.344 2.344 259 1HB GLU 36 1HB GLU 36 -8.589 3.303 3.303 260 2HB GLU 36 2HB GLU 36 -9.528 3.244 3.244 261 1HG GLU 36 1HG GLU 36 -9.082 5.475 5.475 262 2HG GLU 36 2HG GLU 36 -7.628 4.973 4.973 263 H SER 37 H SER 37 -6.049 0.993 0.993 264 HA SER 37 HA SER 37 -7.268 -1.569 -1.569 265 1HB SER 37 1HB SER 37 -8.046 -1.343 -1.343 266 2HB SER 37 2HB SER 37 -9.127 -0.772 -0.772 267 HG SER 37 HG SER 37 -7.239 1.071 1.071 268 H GLU 38 H GLU 38 -6.024 -3.001 -3.001 269 HA GLU 38 HA GLU 38 -3.347 -2.263 -2.263 270 1HB GLU 38 1HB GLU 38 -3.920 -4.550 -4.550 271 2HB GLU 38 2HB GLU 38 -5.226 -4.532 -4.532 272 1HG GLU 38 1HG GLU 38 -3.873 -4.397 -4.397 273 2HG GLU 38 2HG GLU 38 -2.373 -4.122 -4.122 274 H CYS 39 H CYS 39 -6.394 -2.333 -2.333 275 HA CYS 39 HA CYS 39 -5.268 -1.703 -1.703 276 1HB CYS 39 1HB CYS 39 -7.578 -2.349 -2.349 277 2HB CYS 39 2HB CYS 39 -8.003 -0.749 -0.749 278 H LYS 40 H LYS 40 -6.421 0.637 0.637 279 HA LYS 40 HA LYS 40 -5.472 2.943 2.943 280 1HB LYS 40 1HB LYS 40 -6.327 2.752 2.752 281 2HB LYS 40 2HB LYS 40 -5.774 4.189 4.189 282 1HG LYS 40 1HG LYS 40 -7.613 3.798 3.798 283 2HG LYS 40 2HG LYS 40 -8.251 2.565 2.565 284 1HD LYS 40 1HD LYS 40 -9.469 4.594 4.594 285 2HD LYS 40 2HD LYS 40 -8.562 4.314 4.314 286 1HE LYS 40 1HE LYS 40 -7.604 6.177 6.177 287 2HE LYS 40 2HE LYS 40 -8.687 6.714 6.714 288 1HZ LYS 40 1HZ LYS 40 -6.522 5.454 5.454 289 2HZ LYS 40 2HZ LYS 40 -5.908 6.580 6.580 290 3HZ LYS 40 3HZ LYS 40 -7.006 6.926 6.926 291 H LEU 41 H LEU 41 -3.895 0.799 0.799 292 HA LEU 41 HA LEU 41 -1.637 2.547 2.547 293 1HB LEU 41 1HB LEU 41 -2.201 0.630 0.630 294 2HB LEU 41 2HB LEU 41 -1.865 -0.492 -0.492 295 HG LEU 41 HG LEU 41 0.317 1.416 1.416 296 1HD1 LEU 41 3HD1 LEU 41 -0.549 -1.148 -1.148 297 2HD1 LEU 41 1HD1 LEU 41 1.009 -0.344 -0.344 298 3HD1 LEU 41 2HD1 LEU 41 -0.507 0.462 0.462 299 1HD2 LEU 41 3HD2 LEU 41 0.230 -1.435 -1.435 300 2HD2 LEU 41 1HD2 LEU 41 0.853 0.010 0.010 301 3HD2 LEU 41 2HD2 LEU 41 1.700 -0.641 -0.641 302 H CYS 42 H CYS 42 -2.342 -0.076 -0.076 303 HA CYS 42 HA CYS 42 0.051 0.010 0.010 304 1HB CYS 42 1HB CYS 42 -2.750 -1.011 -1.011 305 2HB CYS 42 2HB CYS 42 -1.382 -1.180 -1.180 306 H LEU 43 H LEU 43 -3.038 1.790 1.790 307 HA LEU 43 HA LEU 43 -2.224 3.340 3.340 308 1HB LEU 43 1HB LEU 43 -4.062 3.810 3.810 309 2HB LEU 43 2HB LEU 43 -3.839 5.057 5.057 310 HG LEU 43 HG LEU 43 -5.017 2.306 2.306 311 1HD1 LEU 43 1HD1 LEU 43 -6.511 3.926 3.926 312 2HD1 LEU 43 2HD1 LEU 43 -6.183 5.126 5.126 313 3HD1 LEU 43 3HD1 LEU 43 -7.048 3.631 3.631 314 1HD2 LEU 43 1HD2 LEU 43 -4.375 4.578 4.578 315 2HD2 LEU 43 2HD2 LEU 43 -3.825 2.888 2.888 316 3HD2 LEU 43 3HD2 LEU 43 -5.521 3.271 3.271 317 H ALA 44 H ALA 44 -1.891 4.043 4.043 318 HA ALA 44 HA ALA 44 -0.669 6.544 6.544 319 1HB ALA 44 1HB ALA 44 -1.602 5.799 5.799 320 2HB ALA 44 2HB ALA 44 -0.286 4.618 4.618 321 3HB ALA 44 3HB ALA 44 0.074 6.355 6.355 322 H ARG 45 H ARG 45 0.895 3.358 3.358 323 HA ARG 45 HA ARG 45 3.592 4.299 4.299 324 1HB ARG 45 1HB ARG 45 4.190 2.009 2.009 325 2HB ARG 45 2HB ARG 45 3.051 1.999 1.999 326 1HG ARG 45 1HG ARG 45 1.268 1.717 1.717 327 2HG ARG 45 2HG ARG 45 2.520 1.513 1.513 328 1HD ARG 45 1HD ARG 45 3.328 -0.353 -0.353 329 2HD ARG 45 2HD ARG 45 1.796 -0.406 -0.406 330 HE ARG 45 HE ARG 45 1.176 -0.864 -0.864 331 1HH1 ARG 45 2HH2 ARG 45 4.627 -1.602 -1.602 332 2HH1 ARG 45 1HH2 ARG 45 4.910 -2.381 -2.381 333 1HH2 ARG 45 2HH1 ARG 45 1.670 -2.002 -2.002 334 2HH2 ARG 45 1HH1 ARG 45 3.141 -2.917 -2.917 335 H ILE 46 H ILE 46 1.308 3.932 3.932 336 HA ILE 46 HA ILE 46 3.332 4.374 4.374 337 HB ILE 46 HB ILE 46 0.319 4.740 4.740 338 1HG1 ILE 46 1HG1 ILE 46 2.028 2.484 2.484 339 2HG1 ILE 46 2HG1 ILE 46 1.276 2.373 2.373 340 1HG2 ILE 46 2HG2 ILE 46 2.402 4.669 4.669 341 2HG2 ILE 46 3HG2 ILE 46 0.643 4.738 4.738 342 3HG2 ILE 46 1HG2 ILE 46 1.475 6.092 6.092 343 1HD1 ILE 46 3HD1 ILE 46 -0.962 2.752 2.752 344 2HD1 ILE 46 1HD1 ILE 46 -0.225 2.711 2.711 345 3HD1 ILE 46 2HD1 ILE 46 -0.163 1.278 1.278 346 H GLU 47 H GLU 47 0.762 6.502 6.502 347 HA GLU 47 HA GLU 47 1.561 8.846 8.846 348 1HB GLU 47 1HB GLU 47 0.638 8.773 8.773 349 2HB GLU 47 2HB GLU 47 0.374 10.019 10.019 350 1HG GLU 47 1HG GLU 47 -0.926 7.268 7.268 351 2HG GLU 47 2HG GLU 47 -1.691 8.848 8.848 352 H ASN 48 H ASN 48 2.762 7.471 7.471 353 HA ASN 48 HA ASN 48 4.627 9.597 9.597 354 1HB ASN 48 1HB ASN 48 4.279 6.723 6.723 355 2HB ASN 48 2HB ASN 48 5.604 7.746 7.746 356 1HD2 ASN 48 2HD2 ASN 48 1.796 8.835 8.835 357 2HD2 ASN 48 1HD2 ASN 48 2.020 7.877 7.877 358 H LYS 49 H LYS 49 4.768 6.957 6.957 359 HA LYS 49 HA LYS 49 6.401 5.800 5.800 360 1HB LYS 49 1HB LYS 49 7.930 8.421 8.421 361 2HB LYS 49 2HB LYS 49 8.373 7.095 7.095 362 1HG LYS 49 1HG LYS 49 5.742 8.651 8.651 363 2HG LYS 49 2HG LYS 49 7.163 9.021 9.021 364 1HD LYS 49 1HD LYS 49 5.413 6.521 6.521 365 2HD LYS 49 2HD LYS 49 5.626 7.740 7.740 366 1HE LYS 49 1HE LYS 49 7.596 5.625 5.625 367 2HE LYS 49 2HE LYS 49 6.840 5.714 5.714 368 1HZ LYS 49 3HZ LYS 49 8.845 7.655 7.655 369 2HZ LYS 49 1HZ LYS 49 9.119 6.411 6.411 370 3HZ LYS 49 2HZ LYS 49 8.169 7.666 7.666 371 H GLN 50 H GLN 50 6.179 5.261 5.261 372 HA GLN 50 HA GLN 50 8.918 4.272 4.272 373 1HB GLN 50 1HB GLN 50 7.224 5.852 5.852 374 2HB GLN 50 2HB GLN 50 8.245 4.527 4.527 375 1HG GLN 50 1HG GLN 50 9.497 6.684 6.684 376 2HG GLN 50 2HG GLN 50 9.158 6.981 6.981 377 1HE2 GLN 50 2HE2 GLN 50 12.292 4.557 4.557 378 2HE2 GLN 50 1HE2 GLN 50 11.266 5.112 5.112 379 H ASP 51 H ASP 51 8.804 2.174 2.174 380 HA ASP 51 HA ASP 51 6.251 0.820 0.820 381 1HB ASP 51 1HB ASP 51 8.404 -0.001 -0.001 382 2HB ASP 51 2HB ASP 51 8.982 -0.282 -0.282 383 H ILE 52 H ILE 52 5.280 1.952 1.952 384 HA ILE 52 HA ILE 52 6.090 1.246 1.246 385 HB ILE 52 HB ILE 52 3.327 2.051 2.051 386 1HG1 ILE 52 1HG1 ILE 52 5.529 3.806 3.806 387 2HG1 ILE 52 2HG1 ILE 52 5.110 3.755 3.755 388 1HG2 ILE 52 3HG2 ILE 52 3.332 0.963 0.963 389 2HG2 ILE 52 1HG2 ILE 52 4.515 2.164 2.164 390 3HG2 ILE 52 2HG2 ILE 52 2.877 2.656 2.656 391 1HD1 ILE 52 1HD1 ILE 52 2.782 4.482 4.482 392 2HD1 ILE 52 2HD1 ILE 52 3.320 4.743 4.743 393 3HD1 ILE 52 3HD1 ILE 52 4.049 5.669 5.669 394 H GLN 53 H GLN 53 5.709 -0.640 -0.640 395 HA GLN 53 HA GLN 53 4.258 -2.792 -2.792 396 1HB GLN 53 1HB GLN 53 6.844 -2.823 -2.823 397 2HB GLN 53 2HB GLN 53 6.094 -3.347 -3.347 398 1HG GLN 53 1HG GLN 53 5.034 -5.222 -5.222 399 2HG GLN 53 2HG GLN 53 5.471 -4.604 -4.604 400 1HE2 GLN 53 2HE2 GLN 53 9.062 -5.447 -5.447 401 2HE2 GLN 53 1HE2 GLN 53 8.205 -3.969 -3.969 402 H ILE 54 H ILE 54 2.940 -4.169 -4.169 403 HA ILE 54 HA ILE 54 1.735 -2.885 -2.885 404 HB ILE 54 HB ILE 54 1.303 -5.494 -5.494 405 1HG1 ILE 54 1HG1 ILE 54 -0.498 -3.121 -3.121 406 2HG1 ILE 54 2HG1 ILE 54 0.422 -3.293 -3.293 407 1HG2 ILE 54 1HG2 ILE 54 -0.035 -4.579 -4.579 408 2HG2 ILE 54 2HG2 ILE 54 -0.557 -5.964 -5.964 409 3HG2 ILE 54 3HG2 ILE 54 1.003 -6.015 -6.015 410 1HD1 ILE 54 2HD1 ILE 54 -0.823 -5.421 -5.421 411 2HD1 ILE 54 3HD1 ILE 54 -1.884 -5.034 -5.034 412 3HD1 ILE 54 1HD1 ILE 54 -1.774 -3.932 -3.932 413 H VAL 55 H VAL 55 2.741 -3.075 -3.075 414 HA VAL 55 HA VAL 55 4.823 -5.093 -5.093 415 HB VAL 55 HB VAL 55 3.276 -3.194 -3.194 416 1HG1 VAL 55 1HG1 VAL 55 5.649 -5.030 -5.030 417 2HG1 VAL 55 2HG1 VAL 55 4.974 -3.812 -3.812 418 3HG1 VAL 55 3HG1 VAL 55 4.013 -5.217 -5.217 419 1HG2 VAL 55 1HG2 VAL 55 6.101 -3.207 -3.207 420 2HG2 VAL 55 2HG2 VAL 55 4.810 -2.034 -2.034 421 3HG2 VAL 55 3HG2 VAL 55 5.512 -2.086 -2.086 422 H LYS 56 H LYS 56 1.402 -4.388 -4.388 423 HA LYS 56 HA LYS 56 0.756 -7.174 -7.174 424 1HB LYS 56 1HB LYS 56 0.239 -6.757 -6.757 425 2HB LYS 56 2HB LYS 56 1.958 -6.522 -6.522 426 1HG LYS 56 1HG LYS 56 1.581 -4.068 -4.068 427 2HG LYS 56 2HG LYS 56 -0.130 -4.270 -4.270 428 1HD LYS 56 1HD LYS 56 2.241 -4.988 -4.988 429 2HD LYS 56 2HD LYS 56 1.368 -3.467 -3.467 430 1HE LYS 56 1HE LYS 56 0.487 -4.639 -4.639 431 2HE LYS 56 2HE LYS 56 -0.755 -4.579 -4.579 432 1HZ LYS 56 1HZ LYS 56 1.039 -6.852 -6.852 433 2HZ LYS 56 2HZ LYS 56 -0.467 -6.745 -6.745 434 3HZ LYS 56 3HZ LYS 56 -0.324 -6.916 -6.916 435 H ASP 57 H ASP 57 -1.555 -7.337 -7.337 436 HA ASP 57 HA ASP 57 -3.077 -5.226 -5.226 437 1HB ASP 57 1HB ASP 57 -3.941 -7.815 -7.815 438 2HB ASP 57 2HB ASP 57 -4.991 -6.720 -6.720 439 H GLY 58 H GLY 58 -4.917 -4.181 -4.181 440 1HA GLY 58 1HA GLY 58 -5.988 -3.195 -3.195 441 2HA GLY 58 2HA GLY 58 -5.202 -4.257 -4.257 442 H GLU 59 H GLU 59 -5.338 -1.820 -1.820 443 HA GLU 59 HA GLU 59 -3.407 0.056 0.056 444 1HB GLU 59 1HB GLU 59 -4.428 -0.195 -0.195 445 2HB GLU 59 2HB GLU 59 -3.780 1.231 1.231 446 1HG GLU 59 1HG GLU 59 -5.767 0.688 0.688 447 2HG GLU 59 2HG GLU 59 -6.476 -0.067 -0.067 448 H CYS 60 H CYS 60 -1.470 0.827 0.827 449 HA CYS 60 HA CYS 60 0.387 -1.332 -1.332 450 1HB CYS 60 1HB CYS 60 0.769 1.515 1.515 451 2HB CYS 60 2HB CYS 60 2.073 0.369 0.369 Start of MODEL 5 1 1H GLU 1 3HN GLU 1 17.204 -12.184 -12.184 2 2H GLU 1 1HN GLU 1 18.401 -11.232 -11.232 3 3H GLU 1 2HN GLU 1 16.883 -10.650 -10.650 4 HA GLU 1 HA GLU 1 17.249 -11.146 -11.146 5 1HB GLU 1 1HB GLU 1 19.039 -12.899 -12.899 6 2HB GLU 1 2HB GLU 1 17.720 -14.053 -14.053 7 1HG GLU 1 1HG GLU 1 16.964 -13.660 -13.660 8 2HG GLU 1 2HG GLU 1 18.227 -12.450 -12.450 9 H LYS 2 H LYS 2 15.389 -11.486 -11.486 10 HA LYS 2 HA LYS 2 13.459 -13.540 -13.540 11 1HB LYS 2 1HB LYS 2 12.488 -11.266 -11.266 12 2HB LYS 2 2HB LYS 2 12.596 -10.785 -10.785 13 1HG LYS 2 1HG LYS 2 11.136 -13.083 -13.083 14 2HG LYS 2 2HG LYS 2 10.761 -12.785 -12.785 15 1HD LYS 2 1HD LYS 2 10.400 -10.788 -10.788 16 2HD LYS 2 2HD LYS 2 9.123 -11.839 -11.839 17 1HE LYS 2 1HE LYS 2 10.522 -9.760 -9.760 18 2HE LYS 2 2HE LYS 2 9.080 -9.424 -9.424 19 1HZ LYS 2 1HZ LYS 2 7.980 -11.260 -11.260 20 2HZ LYS 2 2HZ LYS 2 9.267 -11.273 -11.273 21 3HZ LYS 2 3HZ LYS 2 8.353 -9.923 -9.923 22 H GLN 3 H GLN 3 12.262 -12.009 -12.009 23 HA GLN 3 HA GLN 3 14.326 -12.628 -12.628 24 1HB GLN 3 1HB GLN 3 11.585 -13.797 -13.797 25 2HB GLN 3 2HB GLN 3 13.062 -14.004 -14.004 26 1HG GLN 3 1HG GLN 3 12.725 -16.041 -16.041 27 2HG GLN 3 2HG GLN 3 14.019 -15.303 -15.303 28 1HE2 GLN 3 2HE2 GLN 3 10.192 -15.507 -15.507 29 2HE2 GLN 3 1HE2 GLN 3 10.383 -15.166 -15.166 30 H VAL 4 H VAL 4 10.880 -11.876 -11.876 31 HA VAL 4 HA VAL 4 9.609 -10.145 -10.145 32 HB VAL 4 HB VAL 4 12.070 -8.936 -8.936 33 1HG1 VAL 4 1HG1 VAL 4 12.355 -8.500 -8.500 34 2HG1 VAL 4 2HG1 VAL 4 10.865 -7.529 -7.529 35 3HG1 VAL 4 3HG1 VAL 4 12.285 -7.048 -7.048 36 1HG2 VAL 4 1HG2 VAL 4 9.960 -8.392 -8.392 37 2HG2 VAL 4 2HG2 VAL 4 10.812 -6.953 -6.953 38 3HG2 VAL 4 3HG2 VAL 4 9.407 -7.577 -7.577 39 H PHE 5 H PHE 5 8.620 -8.993 -8.993 40 HA PHE 5 HA PHE 5 9.859 -9.446 -9.446 41 1HB PHE 5 1HB PHE 5 8.209 -10.839 -10.839 42 2HB PHE 5 2HB PHE 5 8.963 -11.714 -11.714 43 HD1 PHE 5 1HD PHE 5 5.831 -9.802 -9.802 44 HD2 PHE 5 1HD PHE 5 7.633 -12.798 -12.798 45 HE1 PHE 5 1HE PHE 5 3.621 -10.802 -10.802 46 HE2 PHE 5 2HE PHE 5 5.369 -13.774 -13.774 47 HZ PHE 5 HZ PHE 5 3.420 -12.885 -12.885 48 H SER 6 H SER 6 8.721 -8.398 -8.398 49 HA SER 6 HA SER 6 6.516 -6.552 -6.552 50 1HB SER 6 1HB SER 6 7.450 -5.250 -5.250 51 2HB SER 6 2HB SER 6 8.498 -5.320 -5.320 52 HG SER 6 HG SER 6 8.711 -6.785 -6.785 53 H ARG 7 H ARG 7 5.234 -6.121 -6.121 54 HA ARG 7 HA ARG 7 4.859 -8.644 -8.644 55 1HB ARG 7 1HB ARG 7 2.540 -7.071 -7.071 56 2HB ARG 7 2HB ARG 7 2.471 -8.519 -8.519 57 1HG ARG 7 1HG ARG 7 3.773 -9.659 -9.659 58 2HG ARG 7 2HG ARG 7 3.292 -8.242 -8.242 59 1HD ARG 7 1HD ARG 7 1.472 -10.199 -10.199 60 2HD ARG 7 2HD ARG 7 1.629 -10.060 -10.060 61 HE ARG 7 HE ARG 7 0.367 -8.071 -8.071 62 1HH1 ARG 7 2HH2 ARG 7 0.614 -9.084 -9.084 63 2HH1 ARG 7 1HH2 ARG 7 -1.120 -8.805 -8.805 64 1HH2 ARG 7 2HH1 ARG 7 -1.623 -7.398 -7.398 65 2HH2 ARG 7 1HH1 ARG 7 -2.368 -7.658 -7.658 66 H MET 8 H MET 8 5.134 -7.972 -7.972 67 HA MET 8 HA MET 8 4.624 -5.226 -5.226 68 1HB MET 8 1HB MET 8 4.697 -5.947 -5.947 69 2HB MET 8 2HB MET 8 6.172 -6.232 -6.232 70 1HG MET 8 1HG MET 8 4.166 -8.442 -8.442 71 2HG MET 8 2HG MET 8 5.480 -7.977 -7.977 72 1HE MET 8 3HE MET 8 5.182 -10.904 -10.904 73 2HE MET 8 1HE MET 8 6.542 -10.296 -10.296 74 3HE MET 8 2HE MET 8 6.861 -11.331 -11.331 75 HA PRO 9 HA PRO 9 0.183 -6.030 -6.030 76 1HB PRO 9 1HB PRO 9 -0.605 -3.702 -3.702 77 2HB PRO 9 2HB PRO 9 -0.319 -3.915 -3.915 78 1HG PRO 9 1HG PRO 9 1.495 -2.437 -2.437 79 2HG PRO 9 2HG PRO 9 1.266 -2.232 -2.232 80 1HD PRO 9 1HD PRO 9 3.451 -3.565 -3.565 81 2HD PRO 9 2HD PRO 9 2.723 -3.804 -3.804 82 H ILE 10 H ILE 10 -0.473 -7.238 -7.238 83 HA ILE 10 HA ILE 10 0.938 -6.983 -6.983 84 HB ILE 10 HB ILE 10 -0.800 -9.283 -9.283 85 1HG1 ILE 10 1HG1 ILE 10 2.223 -8.864 -8.864 86 2HG1 ILE 10 2HG1 ILE 10 1.116 -8.955 -8.955 87 1HG2 ILE 10 2HG2 ILE 10 -0.417 -9.046 -9.046 88 2HG2 ILE 10 3HG2 ILE 10 1.313 -9.205 -9.205 89 3HG2 ILE 10 1HG2 ILE 10 0.205 -10.535 -10.535 90 1HD1 ILE 10 1HD1 ILE 10 0.528 -11.293 -11.293 91 2HD1 ILE 10 2HD1 ILE 10 1.806 -11.244 -11.244 92 3HD1 ILE 10 3HD1 ILE 10 2.223 -11.051 -11.051 93 H CYS 11 H CYS 11 -0.285 -5.005 -5.005 94 HA CYS 11 HA CYS 11 -3.157 -5.374 -5.374 95 1HB CYS 11 1HB CYS 11 -1.364 -2.943 -2.943 96 2HB CYS 11 2HB CYS 11 -2.794 -3.173 -3.173 97 H GLU 12 H GLU 12 -2.608 -7.230 -7.230 98 HA GLU 12 HA GLU 12 -1.742 -6.940 -6.940 99 1HB GLU 12 1HB GLU 12 -0.545 -8.723 -8.723 100 2HB GLU 12 2HB GLU 12 -1.994 -9.237 -9.237 101 1HG GLU 12 1HG GLU 12 -2.572 -9.654 -9.654 102 2HG GLU 12 2HG GLU 12 -0.901 -10.157 -10.157 103 H HIS 13 H HIS 13 -3.951 -9.478 -9.478 104 HA HIS 13 HA HIS 13 -6.195 -8.348 -8.348 105 1HB HIS 13 1HB HIS 13 -6.383 -10.660 -10.660 106 2HB HIS 13 2HB HIS 13 -5.824 -10.625 -10.625 107 HD1 HIS 13 HD1 HIS 13 -7.524 -10.633 -10.633 108 HD2 HIS 13 HD2 HIS 13 -8.892 -8.954 -8.954 109 HE1 HIS 13 HE1 HIS 13 -9.799 -9.557 -9.557 110 HE2 HIS 13 HE2 HIS 13 -10.604 -8.534 -8.534 111 H MET 14 H MET 14 -5.372 -8.534 -8.534 112 HA MET 14 HA MET 14 -7.315 -8.261 -8.261 113 1HB MET 14 1HB MET 14 -5.196 -6.096 -6.096 114 2HB MET 14 2HB MET 14 -6.449 -6.323 -6.323 115 1HG MET 14 1HG MET 14 -5.684 -8.629 -8.629 116 2HG MET 14 2HG MET 14 -4.426 -8.424 -8.424 117 1HE MET 14 1HE MET 14 -5.675 -7.583 -7.583 118 2HE MET 14 2HE MET 14 -4.498 -6.355 -6.355 119 3HE MET 14 3HE MET 14 -5.695 -5.953 -5.953 120 H THR 15 H THR 15 -6.573 -4.893 -4.893 121 HA THR 15 HA THR 15 -9.426 -4.257 -4.257 122 HB THR 15 HB THR 15 -8.597 -2.462 -2.462 123 HG1 THR 15 HG1 THR 15 -6.487 -3.359 -3.359 124 1HG2 THR 15 3HG2 THR 15 -10.505 -4.069 -4.069 125 2HG2 THR 15 1HG2 THR 15 -9.337 -5.260 -5.260 126 3HG2 THR 15 2HG2 THR 15 -9.601 -3.734 -3.734 127 H GLU 16 H GLU 16 -9.755 -2.296 -2.296 128 HA GLU 16 HA GLU 16 -7.774 -1.591 -1.591 129 1HB GLU 16 1HB GLU 16 -10.541 -0.431 -0.431 130 2HB GLU 16 2HB GLU 16 -9.606 -0.268 -0.268 131 1HG GLU 16 1HG GLU 16 -9.818 -2.650 -2.650 132 2HG GLU 16 2HG GLU 16 -10.627 -2.925 -2.925 133 H SER 17 H SER 17 -9.407 1.242 1.242 134 HA SER 17 HA SER 17 -7.106 2.483 2.483 135 1HB SER 17 1HB SER 17 -6.937 2.453 2.453 136 2HB SER 17 2HB SER 17 -8.328 3.556 3.556 137 HG SER 17 HG SER 17 -6.990 4.854 4.854 138 HA PRO 18 HA PRO 18 -10.587 5.475 5.475 139 1HB PRO 18 1HB PRO 18 -13.138 4.651 4.651 140 2HB PRO 18 2HB PRO 18 -12.469 4.949 4.949 141 1HG PRO 18 1HG PRO 18 -12.796 2.305 2.305 142 2HG PRO 18 2HG PRO 18 -13.237 2.715 2.715 143 1HD PRO 18 1HD PRO 18 -10.861 1.490 1.490 144 2HD PRO 18 2HD PRO 18 -11.046 2.465 2.465 145 H ASP 19 H ASP 19 -12.497 5.009 5.009 146 HA ASP 19 HA ASP 19 -10.890 3.671 3.671 147 1HB ASP 19 1HB ASP 19 -12.885 4.008 4.008 148 2HB ASP 19 2HB ASP 19 -12.262 5.534 5.534 149 H CYS 20 H CYS 20 -10.558 1.847 1.847 150 HA CYS 20 HA CYS 20 -12.161 0.566 0.566 151 1HB CYS 20 1HB CYS 20 -10.301 -1.120 -1.120 152 2HB CYS 20 2HB CYS 20 -10.806 -1.321 -1.321 153 H SER 21 H SER 21 -12.199 0.083 0.083 154 HA SER 21 HA SER 21 -14.924 -0.691 -0.691 155 1HB SER 21 1HB SER 21 -15.035 -2.644 -2.644 156 2HB SER 21 2HB SER 21 -13.834 -2.964 -2.964 157 HG SER 21 HG SER 21 -12.189 -2.582 -2.582 158 H ARG 22 H ARG 22 -16.133 0.101 0.101 159 HA ARG 22 HA ARG 22 -14.690 1.931 1.931 160 1HB ARG 22 1HB ARG 22 -17.610 1.240 1.240 161 2HB ARG 22 2HB ARG 22 -16.997 2.478 2.478 162 1HG ARG 22 1HG ARG 22 -16.023 3.766 3.766 163 2HG ARG 22 2HG ARG 22 -16.433 2.573 2.573 164 1HD ARG 22 1HD ARG 22 -17.877 4.574 4.574 165 2HD ARG 22 2HD ARG 22 -18.785 3.080 3.080 166 HE ARG 22 HE ARG 22 -18.382 5.177 5.177 167 1HH1 ARG 22 2HH2 ARG 22 -19.737 1.959 1.959 168 2HH1 ARG 22 1HH2 ARG 22 -20.200 1.705 1.705 169 1HH2 ARG 22 2HH1 ARG 22 -19.195 4.781 4.781 170 2HH2 ARG 22 1HH1 ARG 22 -19.950 3.227 3.227 171 H ILE 23 H ILE 23 -14.332 -1.085 -1.085 172 HA ILE 23 HA ILE 23 -15.631 -1.698 -1.698 173 HB ILE 23 HB ILE 23 -13.179 -2.895 -2.895 174 1HG1 ILE 23 1HG1 ILE 23 -15.224 -2.914 -2.914 175 2HG1 ILE 23 2HG1 ILE 23 -14.517 -4.457 -4.457 176 1HG2 ILE 23 2HG2 ILE 23 -13.398 -3.530 -3.530 177 2HG2 ILE 23 3HG2 ILE 23 -15.066 -4.046 -4.046 178 3HG2 ILE 23 1HG2 ILE 23 -13.729 -4.908 -4.908 179 1HD1 ILE 23 2HD1 ILE 23 -16.973 -3.317 -3.317 180 2HD1 ILE 23 3HD1 ILE 23 -17.019 -4.407 -4.407 181 3HD1 ILE 23 1HD1 ILE 23 -16.323 -4.976 -4.976 182 H TYR 24 H TYR 24 -14.766 -1.443 -1.443 183 HA TYR 24 HA TYR 24 -12.362 0.248 0.248 184 1HB TYR 24 1HB TYR 24 -14.626 0.721 0.721 185 2HB TYR 24 2HB TYR 24 -14.307 -0.628 -0.628 186 HD1 TYR 24 HD2 TYR 24 -12.010 -0.483 -0.483 187 HD2 TYR 24 HD1 TYR 24 -13.823 2.867 2.867 188 HE1 TYR 24 HE2 TYR 24 -10.637 1.083 1.083 189 HE2 TYR 24 HE1 TYR 24 -12.443 4.417 4.417 190 HH TYR 24 HH TYR 24 -9.802 3.351 3.351 191 H ASP 25 H ASP 25 -10.793 -1.294 -1.294 192 HA ASP 25 HA ASP 25 -10.352 -3.596 -3.596 193 1HB ASP 25 1HB ASP 25 -11.477 -4.432 -4.432 194 2HB ASP 25 2HB ASP 25 -10.192 -3.731 -3.731 195 HA PRO 26 HA PRO 26 -7.034 -0.548 -0.548 196 1HB PRO 26 1HB PRO 26 -6.316 0.253 0.253 197 2HB PRO 26 2HB PRO 26 -7.770 0.863 0.863 198 1HG PRO 26 1HG PRO 26 -7.614 -1.311 -1.311 199 2HG PRO 26 2HG PRO 26 -8.797 0.026 0.026 200 1HD PRO 26 1HD PRO 26 -9.292 -2.548 -2.548 201 2HD PRO 26 2HD PRO 26 -10.004 -1.080 -1.080 202 H VAL 27 H VAL 27 -4.751 -0.420 -0.420 203 HA VAL 27 HA VAL 27 -3.497 -2.816 -2.816 204 HB VAL 27 HB VAL 27 -2.221 -3.205 -3.205 205 1HG1 VAL 27 3HG1 VAL 27 -4.347 -4.497 -4.497 206 2HG1 VAL 27 1HG1 VAL 27 -5.199 -3.395 -3.395 207 3HG1 VAL 27 2HG1 VAL 27 -3.891 -4.418 -4.418 208 1HG2 VAL 27 1HG2 VAL 27 -2.463 -0.943 -0.943 209 2HG2 VAL 27 2HG2 VAL 27 -2.964 -2.223 -2.223 210 3HG2 VAL 27 3HG2 VAL 27 -4.188 -1.253 -1.253 211 H CYS 28 H CYS 28 -1.251 -2.541 -2.541 212 HA CYS 28 HA CYS 28 -0.503 0.308 0.308 213 1HB CYS 28 1HB CYS 28 -0.397 -1.164 -1.164 214 2HB CYS 28 2HB CYS 28 0.628 -2.304 -2.304 215 H GLY 29 H GLY 29 0.758 1.216 1.216 216 1HA GLY 29 1HA GLY 29 2.283 -0.488 -0.488 217 2HA GLY 29 2HA GLY 29 2.182 1.272 1.272 218 H THR 30 H THR 30 4.716 -0.141 -0.141 219 HA THR 30 HA THR 30 6.231 0.187 0.187 220 HB THR 30 HB THR 30 8.186 0.130 0.130 221 HG1 THR 30 HG1 THR 30 7.295 1.013 1.013 222 1HG2 THR 30 2HG2 THR 30 6.124 -2.090 -2.090 223 2HG2 THR 30 3HG2 THR 30 7.843 -2.221 -2.221 224 3HG2 THR 30 1HG2 THR 30 7.366 -1.934 -1.934 225 H ASP 31 H ASP 31 4.647 2.465 2.465 226 HA ASP 31 HA ASP 31 6.448 4.724 4.724 227 1HB ASP 31 1HB ASP 31 4.351 6.001 6.001 228 2HB ASP 31 2HB ASP 31 4.956 4.933 4.933 229 H GLY 32 H GLY 32 4.187 2.722 2.722 230 1HA GLY 32 1HA GLY 32 4.117 2.500 2.500 231 2HA GLY 32 2HA GLY 32 4.895 4.077 4.077 232 H VAL 33 H VAL 33 2.255 3.938 3.938 233 HA VAL 33 HA VAL 33 0.503 5.276 5.276 234 HB VAL 33 HB VAL 33 0.470 5.530 5.530 235 1HG1 VAL 33 2HG1 VAL 33 -0.848 7.122 7.122 236 2HG1 VAL 33 3HG1 VAL 33 -0.936 7.550 7.550 237 3HG1 VAL 33 1HG1 VAL 33 -1.687 6.055 6.055 238 1HG2 VAL 33 2HG2 VAL 33 1.716 7.371 7.371 239 2HG2 VAL 33 3HG2 VAL 33 2.570 6.512 6.512 240 3HG2 VAL 33 1HG2 VAL 33 1.438 7.804 7.804 241 H THR 34 H THR 34 -1.411 4.346 4.346 242 HA THR 34 HA THR 34 -2.283 1.856 1.856 243 HB THR 34 HB THR 34 -3.836 3.890 3.890 244 HG1 THR 34 HG1 THR 34 -3.140 2.845 2.845 245 1HG2 THR 34 1HG2 THR 34 -4.199 0.910 0.910 246 2HG2 THR 34 2HG2 THR 34 -5.148 1.882 1.882 247 3HG2 THR 34 3HG2 THR 34 -5.242 2.230 2.230 248 H TYR 35 H TYR 35 -2.964 1.932 1.932 249 HA TYR 35 HA TYR 35 -4.521 4.324 4.324 250 1HB TYR 35 1HB TYR 35 -3.206 2.078 2.078 251 2HB TYR 35 2HB TYR 35 -4.213 3.332 3.332 252 HD1 TYR 35 HD2 TYR 35 -2.674 5.497 5.497 253 HD2 TYR 35 HD1 TYR 35 -1.762 2.822 2.822 254 HE1 TYR 35 HE2 TYR 35 -0.772 6.924 6.924 255 HE2 TYR 35 HE1 TYR 35 0.147 4.278 4.278 256 HH TYR 35 HH TYR 35 1.774 5.776 5.776 257 H GLU 36 H GLU 36 -6.353 3.896 3.896 258 HA GLU 36 HA GLU 36 -8.215 2.377 2.377 259 1HB GLU 36 1HB GLU 36 -8.132 3.663 3.663 260 2HB GLU 36 2HB GLU 36 -9.499 2.656 2.656 261 1HG GLU 36 1HG GLU 36 -9.903 4.173 4.173 262 2HG GLU 36 2HG GLU 36 -8.713 5.284 5.284 263 H SER 37 H SER 37 -6.452 1.377 1.377 264 HA SER 37 HA SER 37 -7.206 -1.364 -1.364 265 1HB SER 37 1HB SER 37 -8.637 -1.303 -1.303 266 2HB SER 37 2HB SER 37 -9.406 -0.928 -0.928 267 HG SER 37 HG SER 37 -9.760 1.054 1.054 268 H GLU 38 H GLU 38 -6.456 -2.706 -2.706 269 HA GLU 38 HA GLU 38 -3.833 -1.948 -1.948 270 1HB GLU 38 1HB GLU 38 -5.468 -4.208 -4.208 271 2HB GLU 38 2HB GLU 38 -3.720 -3.989 -3.989 272 1HG GLU 38 1HG GLU 38 -3.634 -4.004 -4.004 273 2HG GLU 38 2HG GLU 38 -5.332 -4.478 -4.478 274 H CYS 39 H CYS 39 -6.754 -1.914 -1.914 275 HA CYS 39 HA CYS 39 -5.712 -1.078 -1.078 276 1HB CYS 39 1HB CYS 39 -8.072 -1.347 -1.347 277 2HB CYS 39 2HB CYS 39 -8.157 -0.272 -0.272 278 H LYS 40 H LYS 40 -6.558 1.029 1.029 279 HA LYS 40 HA LYS 40 -5.666 3.440 3.440 280 1HB LYS 40 1HB LYS 40 -6.440 2.913 2.913 281 2HB LYS 40 2HB LYS 40 -6.149 4.516 4.516 282 1HG LYS 40 1HG LYS 40 -7.993 4.261 4.261 283 2HG LYS 40 2HG LYS 40 -8.254 2.573 2.573 284 1HD LYS 40 1HD LYS 40 -8.875 3.227 3.227 285 2HD LYS 40 2HD LYS 40 -8.554 4.931 4.931 286 1HE LYS 40 1HE LYS 40 -10.359 4.983 4.983 287 2HE LYS 40 2HE LYS 40 -10.643 3.237 3.237 288 1HZ LYS 40 2HZ LYS 40 -10.964 5.154 5.154 289 2HZ LYS 40 3HZ LYS 40 -12.200 4.643 4.643 290 3HZ LYS 40 1HZ LYS 40 -11.378 3.587 3.587 291 H LEU 41 H LEU 41 -4.218 1.101 1.101 292 HA LEU 41 HA LEU 41 -1.850 2.644 2.644 293 1HB LEU 41 1HB LEU 41 -2.617 0.678 0.678 294 2HB LEU 41 2HB LEU 41 -2.167 -0.395 -0.395 295 HG LEU 41 HG LEU 41 -0.066 1.512 1.512 296 1HD1 LEU 41 1HD1 LEU 41 -0.724 -0.669 -0.669 297 2HD1 LEU 41 2HD1 LEU 41 0.752 0.296 0.296 298 3HD1 LEU 41 3HD1 LEU 41 -0.791 1.073 1.073 299 1HD2 LEU 41 2HD2 LEU 41 -0.194 -1.510 -1.510 300 2HD2 LEU 41 3HD2 LEU 41 0.296 -0.325 -0.325 301 3HD2 LEU 41 1HD2 LEU 41 1.310 -0.613 -0.613 302 H CYS 42 H CYS 42 -2.547 0.092 0.092 303 HA CYS 42 HA CYS 42 -0.229 0.097 0.097 304 1HB CYS 42 1HB CYS 42 -3.092 -0.036 -0.036 305 2HB CYS 42 2HB CYS 42 -1.645 -0.383 -0.383 306 H LEU 43 H LEU 43 -3.174 2.073 2.073 307 HA LEU 43 HA LEU 43 -2.390 3.807 3.807 308 1HB LEU 43 1HB LEU 43 -4.113 4.153 4.153 309 2HB LEU 43 2HB LEU 43 -3.934 5.480 5.480 310 HG LEU 43 HG LEU 43 -5.134 2.763 2.763 311 1HD1 LEU 43 1HD1 LEU 43 -6.566 4.374 4.374 312 2HD1 LEU 43 2HD1 LEU 43 -6.386 5.544 5.544 313 3HD1 LEU 43 3HD1 LEU 43 -7.199 3.990 3.990 314 1HD2 LEU 43 2HD2 LEU 43 -4.420 5.154 5.154 315 2HD2 LEU 43 3HD2 LEU 43 -4.109 3.420 3.420 316 3HD2 LEU 43 1HD2 LEU 43 -5.745 4.063 4.063 317 H ALA 44 H ALA 44 -1.785 4.271 4.271 318 HA ALA 44 HA ALA 44 -0.351 6.715 6.715 319 1HB ALA 44 3HB ALA 44 -1.233 6.069 6.069 320 2HB ALA 44 1HB ALA 44 -0.122 4.693 4.693 321 3HB ALA 44 2HB ALA 44 0.516 6.353 6.353 322 H ARG 45 H ARG 45 0.896 3.303 3.303 323 HA ARG 45 HA ARG 45 3.625 4.065 4.065 324 1HB ARG 45 1HB ARG 45 2.224 1.495 1.495 325 2HB ARG 45 2HB ARG 45 3.924 1.869 1.869 326 1HG ARG 45 1HG ARG 45 4.281 0.814 0.814 327 2HG ARG 45 2HG ARG 45 4.049 2.419 2.419 328 1HD ARG 45 1HD ARG 45 1.402 1.216 1.216 329 2HD ARG 45 2HD ARG 45 2.482 -0.056 -0.056 330 HE ARG 45 HE ARG 45 2.839 0.556 0.556 331 1HH1 ARG 45 2HH2 ARG 45 2.454 3.659 3.659 332 2HH1 ARG 45 1HH2 ARG 45 2.295 4.559 4.559 333 1HH2 ARG 45 2HH1 ARG 45 2.006 1.601 1.601 334 2HH2 ARG 45 1HH1 ARG 45 2.170 3.309 3.309 335 H ILE 46 H ILE 46 0.904 4.165 4.165 336 HA ILE 46 HA ILE 46 2.739 4.334 4.334 337 HB ILE 46 HB ILE 46 -0.162 5.274 5.274 338 1HG1 ILE 46 1HG1 ILE 46 0.848 2.604 2.604 339 2HG1 ILE 46 2HG1 ILE 46 0.126 2.801 2.801 340 1HG2 ILE 46 2HG2 ILE 46 1.117 6.222 6.222 341 2HG2 ILE 46 3HG2 ILE 46 1.621 4.588 4.588 342 3HG2 ILE 46 1HG2 ILE 46 -0.082 5.078 5.078 343 1HD1 ILE 46 2HD1 ILE 46 -1.920 3.783 3.783 344 2HD1 ILE 46 3HD1 ILE 46 -1.230 3.202 3.202 345 3HD1 ILE 46 1HD1 ILE 46 -1.621 2.050 2.050 346 H GLU 47 H GLU 47 1.012 6.829 6.829 347 HA GLU 47 HA GLU 47 2.153 9.059 9.059 348 1HB GLU 47 1HB GLU 47 0.285 8.926 8.926 349 2HB GLU 47 2HB GLU 47 1.509 8.655 8.655 350 1HG GLU 47 1HG GLU 47 1.179 11.111 11.111 351 2HG GLU 47 2HG GLU 47 0.839 10.900 10.900 352 H ASN 48 H ASN 48 3.087 7.186 7.186 353 HA ASN 48 HA ASN 48 5.292 8.774 8.774 354 1HB ASN 48 1HB ASN 48 4.732 5.924 5.924 355 2HB ASN 48 2HB ASN 48 5.831 7.023 7.023 356 1HD2 ASN 48 2HD2 ASN 48 2.437 8.853 8.853 357 2HD2 ASN 48 1HD2 ASN 48 3.472 9.159 9.159 358 H LYS 49 H LYS 49 5.035 5.997 5.997 359 HA LYS 49 HA LYS 49 6.648 4.764 4.764 360 1HB LYS 49 1HB LYS 49 8.084 7.457 7.457 361 2HB LYS 49 2HB LYS 49 8.720 6.103 6.103 362 1HG LYS 49 1HG LYS 49 5.885 7.029 7.029 363 2HG LYS 49 2HG LYS 49 7.240 7.916 7.916 364 1HD LYS 49 1HD LYS 49 8.064 6.093 6.093 365 2HD LYS 49 2HD LYS 49 7.148 4.887 4.887 366 1HE LYS 49 1HE LYS 49 5.851 7.005 7.005 367 2HE LYS 49 2HE LYS 49 6.295 5.386 5.386 368 1HZ LYS 49 2HZ LYS 49 4.856 4.480 4.480 369 2HZ LYS 49 3HZ LYS 49 4.313 5.998 5.998 370 3HZ LYS 49 1HZ LYS 49 4.081 5.367 5.367 371 H GLN 50 H GLN 50 6.528 4.125 4.125 372 HA GLN 50 HA GLN 50 9.357 3.367 3.367 373 1HB GLN 50 1HB GLN 50 7.419 4.653 4.653 374 2HB GLN 50 2HB GLN 50 8.856 3.725 3.725 375 1HG GLN 50 1HG GLN 50 10.290 5.367 5.367 376 2HG GLN 50 2HG GLN 50 8.849 6.300 6.300 377 1HE2 GLN 50 2HE2 GLN 50 10.219 6.206 6.206 378 2HE2 GLN 50 1HE2 GLN 50 10.722 4.985 4.985 379 H ASP 51 H ASP 51 9.524 1.348 1.348 380 HA ASP 51 HA ASP 51 7.211 -0.469 -0.469 381 1HB ASP 51 1HB ASP 51 9.378 -1.182 -1.182 382 2HB ASP 51 2HB ASP 51 10.161 -0.782 -0.782 383 H ILE 52 H ILE 52 6.307 1.158 1.158 384 HA ILE 52 HA ILE 52 7.113 0.701 0.701 385 HB ILE 52 HB ILE 52 4.723 2.057 2.057 386 1HG1 ILE 52 1HG1 ILE 52 7.008 3.499 3.499 387 2HG1 ILE 52 2HG1 ILE 52 6.910 3.125 3.125 388 1HG2 ILE 52 3HG2 ILE 52 4.232 1.250 1.250 389 2HG2 ILE 52 1HG2 ILE 52 5.703 2.042 2.042 390 3HG2 ILE 52 2HG2 ILE 52 4.374 3.009 3.009 391 1HD1 ILE 52 2HD1 ILE 52 4.760 4.724 4.724 392 2HD1 ILE 52 3HD1 ILE 52 6.090 5.397 5.397 393 3HD1 ILE 52 1HD1 ILE 52 4.900 4.349 4.349 394 H GLN 53 H GLN 53 6.441 -1.186 -1.186 395 HA GLN 53 HA GLN 53 4.353 -2.802 -2.802 396 1HB GLN 53 1HB GLN 53 6.773 -3.451 -3.451 397 2HB GLN 53 2HB GLN 53 5.534 -4.649 -4.649 398 1HG GLN 53 1HG GLN 53 5.901 -3.793 -3.793 399 2HG GLN 53 2HG GLN 53 7.361 -3.157 -3.157 400 1HE2 GLN 53 2HE2 GLN 53 8.308 -6.305 -6.305 401 2HE2 GLN 53 1HE2 GLN 53 7.853 -4.639 -4.639 402 H ILE 54 H ILE 54 3.252 -4.377 -4.377 403 HA ILE 54 HA ILE 54 2.140 -2.806 -2.806 404 HB ILE 54 HB ILE 54 1.247 -5.308 -5.308 405 1HG1 ILE 54 1HG1 ILE 54 -0.247 -2.734 -2.734 406 2HG1 ILE 54 2HG1 ILE 54 0.851 -2.816 -2.816 407 1HG2 ILE 54 3HG2 ILE 54 0.234 -4.058 -4.058 408 2HG2 ILE 54 1HG2 ILE 54 -0.693 -5.229 -5.229 409 3HG2 ILE 54 2HG2 ILE 54 0.837 -5.719 -5.719 410 1HD1 ILE 54 1HD1 ILE 54 -1.543 -4.639 -4.639 411 2HD1 ILE 54 2HD1 ILE 54 -1.421 -3.258 -3.258 412 3HD1 ILE 54 3HD1 ILE 54 -0.388 -4.669 -4.669 413 H VAL 55 H VAL 55 2.780 -3.107 -3.107 414 HA VAL 55 HA VAL 55 4.919 -4.961 -4.961 415 HB VAL 55 HB VAL 55 3.131 -3.008 -3.008 416 1HG1 VAL 55 3HG1 VAL 55 5.636 -4.461 -4.461 417 2HG1 VAL 55 1HG1 VAL 55 4.785 -3.180 -3.180 418 3HG1 VAL 55 2HG1 VAL 55 3.988 -4.731 -4.731 419 1HG2 VAL 55 1HG2 VAL 55 4.680 -1.964 -1.964 420 2HG2 VAL 55 2HG2 VAL 55 5.029 -1.522 -1.522 421 3HG2 VAL 55 3HG2 VAL 55 6.037 -2.737 -2.737 422 H LYS 56 H LYS 56 1.447 -4.394 -4.394 423 HA LYS 56 HA LYS 56 0.762 -7.145 -7.145 424 1HB LYS 56 1HB LYS 56 0.288 -7.010 -7.010 425 2HB LYS 56 2HB LYS 56 1.986 -6.585 -6.585 426 1HG LYS 56 1HG LYS 56 1.316 -4.143 -4.143 427 2HG LYS 56 2HG LYS 56 -0.347 -4.662 -4.662 428 1HD LYS 56 1HD LYS 56 0.607 -5.887 -5.887 429 2HD LYS 56 2HD LYS 56 2.096 -4.949 -4.949 430 1HE LYS 56 1HE LYS 56 0.419 -2.899 -2.899 431 2HE LYS 56 2HE LYS 56 -0.745 -3.977 -3.977 432 1HZ LYS 56 3HZ LYS 56 1.855 -3.086 -3.086 433 2HZ LYS 56 1HZ LYS 56 0.418 -2.478 -2.478 434 3HZ LYS 56 2HZ LYS 56 0.752 -4.016 -4.016 435 H ASP 57 H ASP 57 -1.573 -7.151 -7.151 436 HA ASP 57 HA ASP 57 -3.008 -5.059 -5.059 437 1HB ASP 57 1HB ASP 57 -4.020 -7.598 -7.598 438 2HB ASP 57 2HB ASP 57 -4.978 -6.469 -6.469 439 H GLY 58 H GLY 58 -4.811 -3.978 -3.978 440 1HA GLY 58 1HA GLY 58 -5.845 -2.852 -2.852 441 2HA GLY 58 2HA GLY 58 -5.168 -3.951 -3.951 442 H GLU 59 H GLU 59 -4.959 -2.031 -2.031 443 HA GLU 59 HA GLU 59 -3.758 0.360 0.360 444 1HB GLU 59 1HB GLU 59 -4.004 -0.556 -0.556 445 2HB GLU 59 2HB GLU 59 -3.971 1.103 1.103 446 1HG GLU 59 1HG GLU 59 -6.289 -0.744 -0.744 447 2HG GLU 59 2HG GLU 59 -6.245 0.053 0.053 448 H CYS 60 H CYS 60 -1.723 1.195 1.195 449 HA CYS 60 HA CYS 60 0.520 -0.601 -0.601 450 1HB CYS 60 1HB CYS 60 0.355 2.434 2.434 451 2HB CYS 60 2HB CYS 60 1.864 1.523 1.523 Start of MODEL 6 1 1H GLU 1 3HN GLU 1 7.767 -18.653 -18.653 2 2H GLU 1 1HN GLU 1 8.143 -20.159 -20.159 3 3H GLU 1 2HN GLU 1 6.574 -19.757 -19.757 4 HA GLU 1 HA GLU 1 6.315 -19.305 -19.305 5 1HB GLU 1 1HB GLU 1 8.149 -19.048 -19.048 6 2HB GLU 1 2HB GLU 1 8.225 -20.515 -20.515 7 1HG GLU 1 1HG GLU 1 9.842 -18.158 -18.158 8 2HG GLU 1 2HG GLU 1 10.385 -18.990 -18.990 9 H LYS 2 H LYS 2 8.531 -17.227 -17.227 10 HA LYS 2 HA LYS 2 6.847 -14.888 -14.888 11 1HB LYS 2 1HB LYS 2 9.580 -15.229 -15.229 12 2HB LYS 2 2HB LYS 2 8.496 -13.824 -13.824 13 1HG LYS 2 1HG LYS 2 6.786 -15.501 -15.501 14 2HG LYS 2 2HG LYS 2 8.145 -16.614 -16.614 15 1HD LYS 2 1HD LYS 2 7.870 -13.808 -13.808 16 2HD LYS 2 2HD LYS 2 7.659 -15.331 -15.331 17 1HE LYS 2 1HE LYS 2 9.767 -14.473 -14.473 18 2HE LYS 2 2HE LYS 2 10.101 -15.878 -15.878 19 1HZ LYS 2 3HZ LYS 2 10.121 -13.143 -13.143 20 2HZ LYS 2 1HZ LYS 2 11.401 -13.734 -13.734 21 3HZ LYS 2 2HZ LYS 2 10.962 -14.495 -14.495 22 H GLN 3 H GLN 3 7.014 -14.759 -14.759 23 HA GLN 3 HA GLN 3 9.375 -14.078 -14.078 24 1HB GLN 3 1HB GLN 3 8.051 -12.839 -12.839 25 2HB GLN 3 2HB GLN 3 7.251 -14.363 -14.363 26 1HG GLN 3 1HG GLN 3 6.428 -11.654 -11.654 27 2HG GLN 3 2HG GLN 3 5.777 -12.348 -12.348 28 1HE2 GLN 3 2HE2 GLN 3 3.325 -13.236 -13.236 29 2HE2 GLN 3 1HE2 GLN 3 3.962 -11.744 -11.744 30 H VAL 4 H VAL 4 10.654 -12.278 -12.278 31 HA VAL 4 HA VAL 4 10.170 -10.120 -10.120 32 HB VAL 4 HB VAL 4 12.451 -11.211 -11.211 33 1HG1 VAL 4 3HG1 VAL 4 12.537 -9.700 -9.700 34 2HG1 VAL 4 1HG1 VAL 4 13.946 -10.285 -10.285 35 3HG1 VAL 4 2HG1 VAL 4 12.757 -11.433 -11.433 36 1HG2 VAL 4 2HG2 VAL 4 12.188 -8.201 -8.201 37 2HG2 VAL 4 3HG2 VAL 4 12.127 -9.112 -9.112 38 3HG2 VAL 4 1HG2 VAL 4 13.627 -9.021 -9.021 39 H PHE 5 H PHE 5 10.042 -10.992 -10.992 40 HA PHE 5 HA PHE 5 10.377 -8.384 -8.384 41 1HB PHE 5 1HB PHE 5 10.748 -10.680 -10.680 42 2HB PHE 5 2HB PHE 5 9.004 -10.779 -10.779 43 HD1 PHE 5 1HD PHE 5 11.572 -8.030 -8.030 44 HD2 PHE 5 1HD PHE 5 8.540 -10.605 -10.605 45 HE1 PHE 5 1HE PHE 5 11.997 -7.091 -7.091 46 HE2 PHE 5 2HE PHE 5 9.152 -9.837 -9.837 47 HZ PHE 5 HZ PHE 5 10.860 -8.046 -8.046 48 H SER 6 H SER 6 8.563 -7.790 -7.790 49 HA SER 6 HA SER 6 5.984 -7.298 -7.298 50 1HB SER 6 1HB SER 6 5.968 -5.420 -5.420 51 2HB SER 6 2HB SER 6 7.035 -5.189 -5.189 52 HG SER 6 HG SER 6 8.028 -6.464 -6.464 53 H ARG 7 H ARG 7 4.126 -7.277 -7.277 54 HA ARG 7 HA ARG 7 4.379 -9.594 -9.594 55 1HB ARG 7 1HB ARG 7 1.828 -8.176 -8.176 56 2HB ARG 7 2HB ARG 7 2.018 -9.710 -9.710 57 1HG ARG 7 1HG ARG 7 3.348 -10.462 -10.462 58 2HG ARG 7 2HG ARG 7 2.565 -9.074 -9.074 59 1HD ARG 7 1HD ARG 7 1.290 -11.547 -11.547 60 2HD ARG 7 2HD ARG 7 1.202 -11.010 -11.010 61 HE ARG 7 HE ARG 7 -0.323 -10.089 -10.089 62 1HH1 ARG 7 2HH2 ARG 7 -0.102 -9.929 -9.929 63 2HH1 ARG 7 1HH2 ARG 7 -1.416 -8.799 -8.799 64 1HH2 ARG 7 2HH1 ARG 7 -1.897 -8.423 -8.423 65 2HH2 ARG 7 1HH1 ARG 7 -2.281 -7.818 -7.818 66 H MET 8 H MET 8 4.347 -9.236 -9.236 67 HA MET 8 HA MET 8 4.411 -6.507 -6.507 68 1HB MET 8 1HB MET 8 4.519 -9.246 -9.246 69 2HB MET 8 2HB MET 8 4.626 -7.678 -7.678 70 1HG MET 8 1HG MET 8 6.619 -7.118 -7.118 71 2HG MET 8 2HG MET 8 6.540 -8.733 -8.733 72 1HE MET 8 3HE MET 8 6.938 -6.665 -6.665 73 2HE MET 8 1HE MET 8 7.716 -7.766 -7.766 74 3HE MET 8 2HE MET 8 5.992 -7.965 -7.965 75 HA PRO 9 HA PRO 9 -0.080 -7.029 -7.029 76 1HB PRO 9 1HB PRO 9 -0.793 -4.574 -4.574 77 2HB PRO 9 2HB PRO 9 -0.286 -4.945 -4.945 78 1HG PRO 9 1HG PRO 9 1.424 -3.666 -3.666 79 2HG PRO 9 2HG PRO 9 1.262 -3.179 -3.179 80 1HD PRO 9 1HD PRO 9 3.285 -4.788 -4.788 81 2HD PRO 9 2HD PRO 9 2.664 -4.891 -4.891 82 H ILE 10 H ILE 10 -0.868 -7.941 -7.941 83 HA ILE 10 HA ILE 10 0.653 -7.748 -7.748 84 HB ILE 10 HB ILE 10 -1.953 -9.172 -9.172 85 1HG1 ILE 10 1HG1 ILE 10 -0.389 -10.021 -10.021 86 2HG1 ILE 10 2HG1 ILE 10 -0.608 -11.194 -11.194 87 1HG2 ILE 10 3HG2 ILE 10 0.126 -9.558 -9.558 88 2HG2 ILE 10 1HG2 ILE 10 -1.289 -10.594 -10.594 89 3HG2 ILE 10 2HG2 ILE 10 -1.510 -8.906 -8.906 90 1HD1 ILE 10 3HD1 ILE 10 1.584 -10.452 -10.452 91 2HD1 ILE 10 1HD1 ILE 10 1.793 -9.342 -9.342 92 3HD1 ILE 10 2HD1 ILE 10 1.733 -11.086 -11.086 93 H CYS 11 H CYS 11 0.538 -5.641 -5.641 94 HA CYS 11 HA CYS 11 -2.016 -4.474 -4.474 95 1HB CYS 11 1HB CYS 11 0.072 -3.355 -3.355 96 2HB CYS 11 2HB CYS 11 -1.105 -2.368 -2.368 97 H GLU 12 H GLU 12 -1.183 -4.967 -4.967 98 HA GLU 12 HA GLU 12 1.586 -4.381 -4.381 99 1HB GLU 12 1HB GLU 12 -0.420 -5.942 -5.942 100 2HB GLU 12 2HB GLU 12 1.349 -5.982 -5.982 101 1HG GLU 12 1HG GLU 12 1.238 -6.739 -6.739 102 2HG GLU 12 2HG GLU 12 -0.486 -6.975 -6.975 103 H HIS 13 H HIS 13 -1.563 -3.239 -3.239 104 HA HIS 13 HA HIS 13 -0.070 -1.285 -1.285 105 1HB HIS 13 1HB HIS 13 -2.214 -3.131 -3.131 106 2HB HIS 13 2HB HIS 13 -1.312 -1.903 -1.903 107 HD1 HIS 13 HD1 HIS 13 1.418 -2.674 -2.674 108 HD2 HIS 13 HD2 HIS 13 -1.231 -5.526 -5.526 109 HE1 HIS 13 HE1 HIS 13 2.637 -4.891 -4.891 110 HE2 HIS 13 HE2 HIS 13 1.046 -6.631 -6.631 111 H MET 14 H MET 14 -1.363 0.544 0.544 112 HA MET 14 HA MET 14 -3.488 1.274 1.274 113 1HB MET 14 1HB MET 14 -2.421 2.519 2.519 114 2HB MET 14 2HB MET 14 -3.537 3.273 3.273 115 1HG MET 14 1HG MET 14 -1.414 4.147 4.147 116 2HG MET 14 2HG MET 14 -1.824 3.116 3.116 117 1HE MET 14 3HE MET 14 0.427 3.787 3.787 118 2HE MET 14 1HE MET 14 1.495 2.364 2.364 119 3HE MET 14 2HE MET 14 -0.221 2.186 2.186 120 H THR 15 H THR 15 -4.903 -0.608 -0.608 121 HA THR 15 HA THR 15 -6.863 -0.224 -0.224 122 HB THR 15 HB THR 15 -4.663 -1.259 -1.259 123 HG1 THR 15 HG1 THR 15 -6.963 -2.739 -2.739 124 1HG2 THR 15 2HG2 THR 15 -4.370 -2.933 -2.933 125 2HG2 THR 15 3HG2 THR 15 -5.697 -3.867 -3.867 126 3HG2 THR 15 1HG2 THR 15 -4.261 -3.526 -3.526 127 H GLU 16 H GLU 16 -7.721 -2.970 -2.970 128 HA GLU 16 HA GLU 16 -9.010 -3.140 -3.140 129 1HB GLU 16 1HB GLU 16 -9.050 -5.283 -5.283 130 2HB GLU 16 2HB GLU 16 -10.292 -4.799 -4.799 131 1HG GLU 16 1HG GLU 16 -11.104 -3.978 -3.978 132 2HG GLU 16 2HG GLU 16 -10.337 -2.549 -2.549 133 H SER 17 H SER 17 -6.301 -3.232 -3.232 134 HA SER 17 HA SER 17 -5.480 -6.094 -6.094 135 1HB SER 17 1HB SER 17 -3.826 -4.992 -4.992 136 2HB SER 17 2HB SER 17 -3.901 -3.550 -3.550 137 HG SER 17 HG SER 17 -3.115 -6.072 -6.072 138 HA PRO 18 HA PRO 18 -6.065 -4.750 -4.750 139 1HB PRO 18 1HB PRO 18 -5.952 -2.165 -2.165 140 2HB PRO 18 2HB PRO 18 -4.490 -3.155 -3.155 141 1HG PRO 18 1HG PRO 18 -5.635 -1.091 -1.091 142 2HG PRO 18 2HG PRO 18 -3.931 -1.336 -1.336 143 1HD PRO 18 1HD PRO 18 -5.098 -2.318 -2.318 144 2HD PRO 18 2HD PRO 18 -3.665 -3.049 -3.049 145 H ASP 19 H ASP 19 -7.945 -3.551 -3.551 146 HA ASP 19 HA ASP 19 -10.085 -2.614 -2.614 147 1HB ASP 19 1HB ASP 19 -10.605 -4.906 -4.906 148 2HB ASP 19 2HB ASP 19 -10.100 -4.859 -4.859 149 H CYS 20 H CYS 20 -10.670 -0.635 -0.635 150 HA CYS 20 HA CYS 20 -10.358 0.020 0.020 151 1HB CYS 20 1HB CYS 20 -10.125 1.589 1.589 152 2HB CYS 20 2HB CYS 20 -10.873 2.426 2.426 153 H SER 21 H SER 21 -12.605 -1.677 -1.677 154 HA SER 21 HA SER 21 -15.049 -0.340 -0.340 155 1HB SER 21 1HB SER 21 -14.003 -2.986 -2.986 156 2HB SER 21 2HB SER 21 -15.690 -2.459 -2.459 157 HG SER 21 HG SER 21 -14.104 -2.912 -2.912 158 H ARG 22 H ARG 22 -16.273 -0.281 -0.281 159 HA ARG 22 HA ARG 22 -14.678 1.484 1.484 160 1HB ARG 22 1HB ARG 22 -17.549 0.648 0.648 161 2HB ARG 22 2HB ARG 22 -16.644 1.992 1.992 162 1HG ARG 22 1HG ARG 22 -16.399 2.551 2.551 163 2HG ARG 22 2HG ARG 22 -18.001 1.803 1.803 164 1HD ARG 22 1HD ARG 22 -16.944 4.217 4.217 165 2HD ARG 22 2HD ARG 22 -18.297 4.175 4.175 166 HE ARG 22 HE ARG 22 -19.053 2.516 2.516 167 1HH1 ARG 22 2HH2 ARG 22 -18.190 5.961 5.961 168 2HH1 ARG 22 1HH2 ARG 22 -18.758 6.360 6.360 169 1HH2 ARG 22 2HH1 ARG 22 -19.742 3.118 3.118 170 2HH2 ARG 22 1HH1 ARG 22 -19.937 4.765 4.765 171 H ILE 23 H ILE 23 -13.943 -1.369 -1.369 172 HA ILE 23 HA ILE 23 -14.713 -2.534 -2.534 173 HB ILE 23 HB ILE 23 -12.420 -2.946 -2.946 174 1HG1 ILE 23 1HG1 ILE 23 -14.811 -3.436 -3.436 175 2HG1 ILE 23 2HG1 ILE 23 -13.627 -4.711 -4.711 176 1HG2 ILE 23 1HG2 ILE 23 -13.146 -4.555 -4.555 177 2HG2 ILE 23 2HG2 ILE 23 -12.156 -5.187 -5.187 178 3HG2 ILE 23 3HG2 ILE 23 -11.606 -3.781 -3.781 179 1HD1 ILE 23 2HD1 ILE 23 -15.646 -4.491 -4.491 180 2HD1 ILE 23 3HD1 ILE 23 -15.868 -5.470 -5.470 181 3HD1 ILE 23 1HD1 ILE 23 -14.561 -5.857 -5.857 182 H TYR 24 H TYR 24 -14.491 -1.064 -1.064 183 HA TYR 24 HA TYR 24 -11.912 0.251 0.251 184 1HB TYR 24 1HB TYR 24 -13.984 1.163 1.163 185 2HB TYR 24 2HB TYR 24 -14.303 -0.342 -0.342 186 HD1 TYR 24 HD1 TYR 24 -12.695 -1.076 -1.076 187 HD2 TYR 24 HD2 TYR 24 -12.551 2.855 2.855 188 HE1 TYR 24 HE1 TYR 24 -11.361 -0.275 -0.275 189 HE2 TYR 24 HE2 TYR 24 -11.127 3.623 3.623 190 HH TYR 24 HH TYR 24 -10.243 3.067 3.067 191 H ASP 25 H ASP 25 -10.228 -1.163 -1.163 192 HA ASP 25 HA ASP 25 -10.327 -3.412 -3.412 193 1HB ASP 25 1HB ASP 25 -11.088 -4.467 -4.467 194 2HB ASP 25 2HB ASP 25 -9.726 -3.761 -3.761 195 HA PRO 26 HA PRO 26 -6.904 -0.536 -0.536 196 1HB PRO 26 1HB PRO 26 -6.230 0.047 0.047 197 2HB PRO 26 2HB PRO 26 -7.497 0.873 0.873 198 1HG PRO 26 1HG PRO 26 -7.833 -1.485 -1.485 199 2HG PRO 26 2HG PRO 26 -8.792 0.027 0.027 200 1HD PRO 26 1HD PRO 26 -9.748 -2.168 -2.168 201 2HD PRO 26 2HD PRO 26 -9.799 -0.604 -0.604 202 H VAL 27 H VAL 27 -4.659 -0.595 -0.595 203 HA VAL 27 HA VAL 27 -3.425 -2.910 -2.910 204 HB VAL 27 HB VAL 27 -2.201 -3.544 -3.544 205 1HG1 VAL 27 2HG1 VAL 27 -4.419 -4.651 -4.651 206 2HG1 VAL 27 3HG1 VAL 27 -5.180 -3.557 -3.557 207 3HG1 VAL 27 1HG1 VAL 27 -3.953 -4.706 -4.706 208 1HG2 VAL 27 3HG2 VAL 27 -2.237 -1.385 -1.385 209 2HG2 VAL 27 1HG2 VAL 27 -2.855 -2.707 -2.707 210 3HG2 VAL 27 2HG2 VAL 27 -3.985 -1.554 -1.554 211 H CYS 28 H CYS 28 -1.042 -2.660 -2.660 212 HA CYS 28 HA CYS 28 -0.424 0.215 0.215 213 1HB CYS 28 1HB CYS 28 -0.332 -1.305 -1.305 214 2HB CYS 28 2HB CYS 28 0.805 -2.355 -2.355 215 H GLY 29 H GLY 29 0.759 1.194 1.194 216 1HA GLY 29 1HA GLY 29 2.353 -0.248 -0.248 217 2HA GLY 29 2HA GLY 29 2.215 1.502 1.502 218 H THR 30 H THR 30 4.650 -0.264 -0.264 219 HA THR 30 HA THR 30 6.128 -0.274 -0.274 220 HB THR 30 HB THR 30 8.098 -0.392 -0.392 221 HG1 THR 30 HG1 THR 30 7.445 0.135 0.135 222 1HG2 THR 30 2HG2 THR 30 7.174 -2.398 -2.398 223 2HG2 THR 30 3HG2 THR 30 5.888 -2.489 -2.489 224 3HG2 THR 30 1HG2 THR 30 7.596 -2.684 -2.684 225 H ASP 31 H ASP 31 5.246 2.428 2.428 226 HA ASP 31 HA ASP 31 7.557 4.044 4.044 227 1HB ASP 31 1HB ASP 31 6.326 5.824 5.824 228 2HB ASP 31 2HB ASP 31 5.988 4.449 4.449 229 H GLY 32 H GLY 32 4.522 2.918 2.918 230 1HA GLY 32 1HA GLY 32 4.304 3.027 3.027 231 2HA GLY 32 2HA GLY 32 4.874 4.682 4.682 232 H VAL 33 H VAL 33 2.890 4.472 4.472 233 HA VAL 33 HA VAL 33 0.749 5.824 5.824 234 HB VAL 33 HB VAL 33 1.372 5.332 5.332 235 1HG1 VAL 33 3HG1 VAL 33 -1.169 6.607 6.607 236 2HG1 VAL 33 1HG1 VAL 33 -0.605 6.723 6.723 237 3HG1 VAL 33 2HG1 VAL 33 -1.065 5.150 5.150 238 1HG2 VAL 33 1HG2 VAL 33 2.437 7.179 7.179 239 2HG2 VAL 33 2HG2 VAL 33 1.595 7.741 7.741 240 3HG2 VAL 33 3HG2 VAL 33 0.832 7.876 7.876 241 H THR 34 H THR 34 -1.111 4.942 4.942 242 HA THR 34 HA THR 34 -1.861 2.170 2.170 243 HB THR 34 HB THR 34 -3.425 4.394 4.394 244 HG1 THR 34 HG1 THR 34 -1.681 3.726 3.726 245 1HG2 THR 34 3HG2 THR 34 -3.998 1.446 1.446 246 2HG2 THR 34 1HG2 THR 34 -4.890 2.482 2.482 247 3HG2 THR 34 2HG2 THR 34 -4.927 2.826 2.826 248 H TYR 35 H TYR 35 -3.049 1.755 1.755 249 HA TYR 35 HA TYR 35 -4.268 4.043 4.043 250 1HB TYR 35 1HB TYR 35 -3.143 1.372 1.372 251 2HB TYR 35 2HB TYR 35 -4.138 2.414 2.414 252 HD1 TYR 35 HD2 TYR 35 -3.396 4.766 4.766 253 HD2 TYR 35 HD1 TYR 35 -0.776 1.946 1.946 254 HE1 TYR 35 HE2 TYR 35 -1.458 6.185 6.185 255 HE2 TYR 35 HE1 TYR 35 1.180 3.327 3.327 256 HH TYR 35 HH TYR 35 0.839 6.451 6.451 257 H GLU 36 H GLU 36 -6.386 3.721 3.721 258 HA GLU 36 HA GLU 36 -8.138 2.302 2.302 259 1HB GLU 36 1HB GLU 36 -8.518 4.409 4.409 260 2HB GLU 36 2HB GLU 36 -8.979 3.098 3.098 261 1HG GLU 36 1HG GLU 36 -10.480 2.275 2.275 262 2HG GLU 36 2HG GLU 36 -10.277 3.924 3.924 263 H SER 37 H SER 37 -6.662 1.416 1.416 264 HA SER 37 HA SER 37 -7.610 -1.329 -1.329 265 1HB SER 37 1HB SER 37 -8.154 0.075 0.075 266 2HB SER 37 2HB SER 37 -8.820 -1.449 -1.449 267 HG SER 37 HG SER 37 -10.087 -0.283 -0.283 268 H GLU 38 H GLU 38 -6.314 -2.778 -2.778 269 HA GLU 38 HA GLU 38 -3.651 -2.101 -2.101 270 1HB GLU 38 1HB GLU 38 -4.324 -4.396 -4.396 271 2HB GLU 38 2HB GLU 38 -5.611 -4.190 -4.190 272 1HG GLU 38 1HG GLU 38 -4.064 -3.851 -3.851 273 2HG GLU 38 2HG GLU 38 -2.656 -3.969 -3.969 274 H CYS 39 H CYS 39 -6.455 -2.002 -2.002 275 HA CYS 39 HA CYS 39 -5.246 -1.177 -1.177 276 1HB CYS 39 1HB CYS 39 -7.641 -1.510 -1.510 277 2HB CYS 39 2HB CYS 39 -7.812 0.013 0.013 278 H LYS 40 H LYS 40 -5.921 0.874 0.874 279 HA LYS 40 HA LYS 40 -5.185 3.411 3.411 280 1HB LYS 40 1HB LYS 40 -6.009 2.654 2.654 281 2HB LYS 40 2HB LYS 40 -5.626 4.306 4.306 282 1HG LYS 40 1HG LYS 40 -7.412 4.458 4.458 283 2HG LYS 40 2HG LYS 40 -7.644 2.705 2.705 284 1HD LYS 40 1HD LYS 40 -8.482 2.547 2.547 285 2HD LYS 40 2HD LYS 40 -8.107 4.265 4.265 286 1HE LYS 40 1HE LYS 40 -9.701 4.886 4.886 287 2HE LYS 40 2HE LYS 40 -10.083 3.176 3.176 288 1HZ LYS 40 1HZ LYS 40 -10.480 4.593 4.593 289 2HZ LYS 40 2HZ LYS 40 -11.612 4.563 4.563 290 3HZ LYS 40 3HZ LYS 40 -11.141 3.141 3.141 291 H LEU 41 H LEU 41 -3.707 1.179 1.179 292 HA LEU 41 HA LEU 41 -1.248 2.649 2.649 293 1HB LEU 41 1HB LEU 41 -1.937 0.640 0.640 294 2HB LEU 41 2HB LEU 41 -1.787 -0.360 -0.360 295 HG LEU 41 HG LEU 41 0.590 1.175 1.175 296 1HD1 LEU 41 2HD1 LEU 41 -0.510 -1.571 -1.571 297 2HD1 LEU 41 3HD1 LEU 41 1.123 -1.034 -1.034 298 3HD1 LEU 41 1HD1 LEU 41 -0.295 -0.212 -0.212 299 1HD2 LEU 41 2HD2 LEU 41 0.252 -1.224 -1.224 300 2HD2 LEU 41 3HD2 LEU 41 1.094 0.300 0.300 301 3HD2 LEU 41 1HD2 LEU 41 1.787 -0.832 -0.832 302 H CYS 42 H CYS 42 -2.467 0.378 0.378 303 HA CYS 42 HA CYS 42 -0.154 0.263 0.263 304 1HB CYS 42 1HB CYS 42 -2.988 -0.547 -0.547 305 2HB CYS 42 2HB CYS 42 -1.675 -0.642 -0.642 306 H LEU 43 H LEU 43 -3.027 2.336 2.336 307 HA LEU 43 HA LEU 43 -2.256 3.892 3.892 308 1HB LEU 43 1HB LEU 43 -3.852 4.373 4.373 309 2HB LEU 43 2HB LEU 43 -3.611 5.677 5.677 310 HG LEU 43 HG LEU 43 -5.101 3.137 3.137 311 1HD1 LEU 43 3HD1 LEU 43 -6.281 4.792 4.792 312 2HD1 LEU 43 1HD1 LEU 43 -6.012 6.024 6.024 313 3HD1 LEU 43 2HD1 LEU 43 -7.026 4.610 4.610 314 1HD2 LEU 43 2HD2 LEU 43 -4.484 5.520 5.520 315 2HD2 LEU 43 3HD2 LEU 43 -3.997 3.842 3.842 316 3HD2 LEU 43 1HD2 LEU 43 -5.702 4.281 4.281 317 H ALA 44 H ALA 44 -1.528 4.336 4.336 318 HA ALA 44 HA ALA 44 -0.116 6.721 6.721 319 1HB ALA 44 1HB ALA 44 -0.920 5.926 5.926 320 2HB ALA 44 2HB ALA 44 0.315 4.648 4.648 321 3HB ALA 44 3HB ALA 44 0.804 6.352 6.352 322 H ARG 45 H ARG 45 1.167 3.401 3.401 323 HA ARG 45 HA ARG 45 3.881 4.234 4.234 324 1HB ARG 45 1HB ARG 45 4.339 1.902 1.902 325 2HB ARG 45 2HB ARG 45 3.474 1.979 1.979 326 1HG ARG 45 1HG ARG 45 1.416 1.569 1.569 327 2HG ARG 45 2HG ARG 45 2.160 1.483 1.483 328 1HD ARG 45 1HD ARG 45 3.023 -0.378 -0.378 329 2HD ARG 45 2HD ARG 45 1.609 -0.770 -0.770 330 HE ARG 45 HE ARG 45 4.319 -0.935 -0.935 331 1HH1 ARG 45 2HH2 ARG 45 1.052 -0.282 -0.282 332 2HH1 ARG 45 1HH2 ARG 45 1.061 -1.562 -1.562 333 1HH2 ARG 45 2HH1 ARG 45 4.276 -2.699 -2.699 334 2HH2 ARG 45 1HH1 ARG 45 2.951 -2.817 -2.817 335 H ILE 46 H ILE 46 1.231 3.928 3.928 336 HA ILE 46 HA ILE 46 3.032 4.211 4.211 337 HB ILE 46 HB ILE 46 0.012 4.466 4.466 338 1HG1 ILE 46 1HG1 ILE 46 1.799 2.319 2.319 339 2HG1 ILE 46 2HG1 ILE 46 1.089 2.181 2.181 340 1HG2 ILE 46 2HG2 ILE 46 1.777 4.478 4.478 341 2HG2 ILE 46 3HG2 ILE 46 0.000 4.464 4.464 342 3HG2 ILE 46 1HG2 ILE 46 0.865 5.865 5.865 343 1HD1 ILE 46 3HD1 ILE 46 -1.201 2.370 2.370 344 2HD1 ILE 46 1HD1 ILE 46 -0.463 2.287 2.287 345 3HD1 ILE 46 2HD1 ILE 46 -0.293 0.928 0.928 346 H GLU 47 H GLU 47 0.741 6.423 6.423 347 HA GLU 47 HA GLU 47 1.350 8.732 8.732 348 1HB GLU 47 1HB GLU 47 0.592 8.384 8.384 349 2HB GLU 47 2HB GLU 47 0.755 9.936 9.936 350 1HG GLU 47 1HG GLU 47 -1.438 9.738 9.738 351 2HG GLU 47 2HG GLU 47 -0.947 8.769 8.769 352 H ASN 48 H ASN 48 2.870 7.585 7.585 353 HA ASN 48 HA ASN 48 4.845 9.754 9.754 354 1HB ASN 48 1HB ASN 48 4.581 7.280 7.280 355 2HB ASN 48 2HB ASN 48 5.769 8.564 8.564 356 1HD2 ASN 48 2HD2 ASN 48 1.864 9.285 9.285 357 2HD2 ASN 48 1HD2 ASN 48 2.278 7.871 7.871 358 H LYS 49 H LYS 49 4.702 6.704 6.704 359 HA LYS 49 HA LYS 49 6.134 5.260 5.260 360 1HB LYS 49 1HB LYS 49 7.892 7.700 7.700 361 2HB LYS 49 2HB LYS 49 8.343 6.139 6.139 362 1HG LYS 49 1HG LYS 49 5.649 7.334 7.334 363 2HG LYS 49 2HG LYS 49 7.109 7.934 7.934 364 1HD LYS 49 1HD LYS 49 5.994 6.211 6.211 365 2HD LYS 49 2HD LYS 49 7.668 5.784 5.784 366 1HE LYS 49 1HE LYS 49 6.935 4.250 4.250 367 2HE LYS 49 2HE LYS 49 5.232 4.787 4.787 368 1HZ LYS 49 3HZ LYS 49 6.780 3.269 3.269 369 2HZ LYS 49 1HZ LYS 49 5.758 2.641 2.641 370 3HZ LYS 49 2HZ LYS 49 5.173 3.655 3.655 371 H GLN 50 H GLN 50 6.382 5.910 5.910 372 HA GLN 50 HA GLN 50 9.035 4.607 4.607 373 1HB GLN 50 1HB GLN 50 6.939 5.724 5.724 374 2HB GLN 50 2HB GLN 50 8.369 4.807 4.807 375 1HG GLN 50 1HG GLN 50 8.426 7.481 7.481 376 2HG GLN 50 2HG GLN 50 8.745 7.222 7.222 377 1HE2 GLN 50 2HE2 GLN 50 11.629 6.208 6.208 378 2HE2 GLN 50 1HE2 GLN 50 10.064 6.841 6.841 379 H ASP 51 H ASP 51 9.086 2.442 2.442 380 HA ASP 51 HA ASP 51 6.587 0.965 0.965 381 1HB ASP 51 1HB ASP 51 8.611 0.116 0.116 382 2HB ASP 51 2HB ASP 51 9.448 0.083 0.083 383 H ILE 52 H ILE 52 5.238 1.220 1.220 384 HA ILE 52 HA ILE 52 6.157 0.888 0.888 385 HB ILE 52 HB ILE 52 3.386 1.529 1.529 386 1HG1 ILE 52 1HG1 ILE 52 5.530 3.383 3.383 387 2HG1 ILE 52 2HG1 ILE 52 4.954 3.365 3.365 388 1HG2 ILE 52 2HG2 ILE 52 3.461 0.421 0.421 389 2HG2 ILE 52 3HG2 ILE 52 4.530 1.717 1.717 390 3HG2 ILE 52 1HG2 ILE 52 2.860 2.068 2.068 391 1HD1 ILE 52 3HD1 ILE 52 2.637 3.910 3.910 392 2HD1 ILE 52 1HD1 ILE 52 3.387 4.207 4.207 393 3HD1 ILE 52 2HD1 ILE 52 3.861 5.182 5.182 394 H GLN 53 H GLN 53 5.907 -1.071 -1.071 395 HA GLN 53 HA GLN 53 4.429 -3.214 -3.214 396 1HB GLN 53 1HB GLN 53 7.082 -3.233 -3.233 397 2HB GLN 53 2HB GLN 53 6.544 -3.719 -3.719 398 1HG GLN 53 1HG GLN 53 5.676 -5.767 -5.767 399 2HG GLN 53 2HG GLN 53 5.426 -5.139 -5.139 400 1HE2 GLN 53 2HE2 GLN 53 8.433 -7.509 -7.509 401 2HE2 GLN 53 1HE2 GLN 53 6.906 -7.647 -7.647 402 H ILE 54 H ILE 54 3.425 -4.790 -4.790 403 HA ILE 54 HA ILE 54 2.094 -3.149 -3.149 404 HB ILE 54 HB ILE 54 1.622 -5.866 -5.866 405 1HG1 ILE 54 1HG1 ILE 54 -0.142 -3.416 -3.416 406 2HG1 ILE 54 2HG1 ILE 54 0.833 -3.715 -3.715 407 1HG2 ILE 54 1HG2 ILE 54 0.221 -4.731 -4.731 408 2HG2 ILE 54 2HG2 ILE 54 -0.272 -6.167 -6.167 409 3HG2 ILE 54 3HG2 ILE 54 1.234 -6.197 -6.197 410 1HD1 ILE 54 3HD1 ILE 54 -0.427 -5.856 -5.856 411 2HD1 ILE 54 1HD1 ILE 54 -1.517 -5.376 -5.376 412 3HD1 ILE 54 2HD1 ILE 54 -1.410 -4.383 -4.383 413 H VAL 55 H VAL 55 2.983 -3.096 -3.096 414 HA VAL 55 HA VAL 55 4.904 -5.156 -5.156 415 HB VAL 55 HB VAL 55 3.430 -2.935 -2.935 416 1HG1 VAL 55 3HG1 VAL 55 5.581 -4.854 -4.854 417 2HG1 VAL 55 1HG1 VAL 55 4.992 -3.425 -3.425 418 3HG1 VAL 55 2HG1 VAL 55 3.909 -4.790 -4.790 419 1HG2 VAL 55 2HG2 VAL 55 6.323 -3.330 -3.330 420 2HG2 VAL 55 3HG2 VAL 55 5.145 -2.168 -2.168 421 3HG2 VAL 55 1HG2 VAL 55 5.750 -1.983 -1.983 422 H LYS 56 H LYS 56 1.439 -4.246 -4.246 423 HA LYS 56 HA LYS 56 0.816 -7.014 -7.014 424 1HB LYS 56 1HB LYS 56 0.181 -6.569 -6.569 425 2HB LYS 56 2HB LYS 56 1.923 -6.389 -6.389 426 1HG LYS 56 1HG LYS 56 1.670 -3.946 -3.946 427 2HG LYS 56 2HG LYS 56 -0.091 -4.092 -4.092 428 1HD LYS 56 1HD LYS 56 0.080 -5.480 -5.480 429 2HD LYS 56 2HD LYS 56 1.727 -4.825 -4.825 430 1HE LYS 56 1HE LYS 56 0.410 -3.279 -3.279 431 2HE LYS 56 2HE LYS 56 0.639 -2.515 -2.515 432 1HZ LYS 56 2HZ LYS 56 -1.632 -3.369 -3.369 433 2HZ LYS 56 3HZ LYS 56 -1.763 -3.932 -3.932 434 3HZ LYS 56 1HZ LYS 56 -1.605 -2.327 -2.327 435 H ASP 57 H ASP 57 -1.305 -7.300 -7.300 436 HA ASP 57 HA ASP 57 -3.493 -5.850 -5.850 437 1HB ASP 57 1HB ASP 57 -3.404 -7.670 -7.670 438 2HB ASP 57 2HB ASP 57 -4.858 -7.156 -7.156 439 H GLY 58 H GLY 58 -4.835 -4.345 -4.345 440 1HA GLY 58 1HA GLY 58 -5.800 -2.974 -2.974 441 2HA GLY 58 2HA GLY 58 -5.113 -3.872 -3.872 442 H GLU 59 H GLU 59 -5.532 -1.286 -1.286 443 HA GLU 59 HA GLU 59 -3.796 0.565 0.565 444 1HB GLU 59 1HB GLU 59 -4.944 0.794 0.794 445 2HB GLU 59 2HB GLU 59 -4.631 2.077 2.077 446 1HG GLU 59 1HG GLU 59 -6.374 0.803 0.803 447 2HG GLU 59 2HG GLU 59 -6.850 0.008 0.008 448 H CYS 60 H CYS 60 -1.873 1.462 1.462 449 HA CYS 60 HA CYS 60 0.050 -0.456 -0.456 450 1HB CYS 60 1HB CYS 60 0.199 2.545 2.545 451 2HB CYS 60 2HB CYS 60 1.631 1.534 1.534 Start of MODEL 7 1 1H GLU 1 1HN GLU 1 11.515 -6.258 -6.258 2 2H GLU 1 2HN GLU 1 12.351 -4.893 -4.893 3 3H GLU 1 3HN GLU 1 10.985 -5.373 -5.373 4 HA GLU 1 HA GLU 1 10.226 -3.686 -3.686 5 1HB GLU 1 1HB GLU 1 12.331 -4.157 -4.157 6 2HB GLU 1 2HB GLU 1 11.146 -5.036 -5.036 7 1HG GLU 1 1HG GLU 1 11.518 -2.675 -2.675 8 2HG GLU 1 2HG GLU 1 9.832 -2.955 -2.955 9 H LYS 2 H LYS 2 8.923 -4.672 -4.672 10 HA LYS 2 HA LYS 2 7.845 -7.261 -7.261 11 1HB LYS 2 1HB LYS 2 6.453 -5.390 -5.390 12 2HB LYS 2 2HB LYS 2 5.688 -5.145 -5.145 13 1HG LYS 2 1HG LYS 2 5.953 -7.763 -7.763 14 2HG LYS 2 2HG LYS 2 4.500 -6.771 -6.771 15 1HD LYS 2 1HD LYS 2 5.726 -8.043 -8.043 16 2HD LYS 2 2HD LYS 2 4.580 -8.856 -8.856 17 1HE LYS 2 1HE LYS 2 3.892 -6.100 -6.100 18 2HE LYS 2 2HE LYS 2 3.716 -7.534 -7.534 19 1HZ LYS 2 3HZ LYS 2 2.456 -7.334 -7.334 20 2HZ LYS 2 1HZ LYS 2 1.661 -7.012 -7.012 21 3HZ LYS 2 2HZ LYS 2 2.267 -8.507 -8.507 22 H GLN 3 H GLN 3 8.974 -7.651 -7.651 23 HA GLN 3 HA GLN 3 7.192 -7.446 -7.446 24 1HB GLN 3 1HB GLN 3 8.767 -6.411 -6.411 25 2HB GLN 3 2HB GLN 3 8.185 -5.309 -5.309 26 1HG GLN 3 1HG GLN 3 10.436 -5.893 -5.893 27 2HG GLN 3 2HG GLN 3 10.961 -6.437 -6.437 28 1HE2 GLN 3 2HE2 GLN 3 10.483 -2.977 -2.977 29 2HE2 GLN 3 1HE2 GLN 3 9.954 -4.599 -4.599 30 H VAL 4 H VAL 4 7.467 -9.195 -9.195 31 HA VAL 4 HA VAL 4 9.527 -11.192 -11.192 32 HB VAL 4 HB VAL 4 6.667 -11.492 -11.492 33 1HG1 VAL 4 2HG1 VAL 4 8.702 -13.639 -13.639 34 2HG1 VAL 4 3HG1 VAL 4 6.981 -13.915 -13.915 35 3HG1 VAL 4 1HG1 VAL 4 8.043 -13.343 -13.343 36 1HG2 VAL 4 3HG2 VAL 4 7.952 -11.945 -11.945 37 2HG2 VAL 4 1HG2 VAL 4 6.658 -10.806 -10.806 38 3HG2 VAL 4 2HG2 VAL 4 6.336 -12.548 -12.548 39 H PHE 5 H PHE 5 7.379 -10.693 -10.693 40 HA PHE 5 HA PHE 5 9.458 -10.281 -10.281 41 1HB PHE 5 1HB PHE 5 8.275 -11.603 -11.603 42 2HB PHE 5 2HB PHE 5 8.469 -12.662 -12.662 43 HD1 PHE 5 1HD PHE 5 6.257 -12.387 -12.387 44 HD2 PHE 5 1HD PHE 5 6.249 -11.889 -11.889 45 HE1 PHE 5 2HE PHE 5 3.872 -11.758 -11.758 46 HE2 PHE 5 1HE PHE 5 3.788 -11.626 -11.626 47 HZ PHE 5 HZ PHE 5 2.620 -11.390 -11.390 48 H SER 6 H SER 6 8.150 -8.978 -8.978 49 HA SER 6 HA SER 6 5.739 -7.631 -7.631 50 1HB SER 6 1HB SER 6 6.208 -5.832 -5.832 51 2HB SER 6 2HB SER 6 7.379 -5.962 -5.962 52 HG SER 6 HG SER 6 8.717 -7.216 -7.216 53 H ARG 7 H ARG 7 4.008 -7.240 -7.240 54 HA ARG 7 HA ARG 7 3.698 -9.327 -9.327 55 1HB ARG 7 1HB ARG 7 1.790 -7.694 -7.694 56 2HB ARG 7 2HB ARG 7 1.377 -7.911 -7.911 57 1HG ARG 7 1HG ARG 7 1.714 -10.371 -10.371 58 2HG ARG 7 2HG ARG 7 2.037 -10.081 -10.081 59 1HD ARG 7 1HD ARG 7 -0.502 -8.854 -8.854 60 2HD ARG 7 2HD ARG 7 -0.470 -10.565 -10.565 61 HE ARG 7 HE ARG 7 -0.830 -9.335 -9.335 62 1HH1 ARG 7 2HH2 ARG 7 0.250 -12.333 -12.333 63 2HH1 ARG 7 1HH2 ARG 7 0.486 -13.185 -13.185 64 1HH2 ARG 7 2HH1 ARG 7 -0.746 -10.516 -10.516 65 2HH2 ARG 7 1HH1 ARG 7 -0.622 -12.260 -12.260 66 H MET 8 H MET 8 4.324 -8.918 -8.918 67 HA MET 8 HA MET 8 4.494 -6.258 -6.258 68 1HB MET 8 1HB MET 8 4.530 -9.119 -9.119 69 2HB MET 8 2HB MET 8 4.550 -7.667 -7.667 70 1HG MET 8 1HG MET 8 6.666 -6.973 -6.973 71 2HG MET 8 2HG MET 8 6.658 -8.454 -8.454 72 1HE MET 8 3HE MET 8 7.252 -6.755 -6.755 73 2HE MET 8 1HE MET 8 7.397 -8.137 -8.137 74 3HE MET 8 2HE MET 8 5.823 -7.736 -7.736 75 HA PRO 9 HA PRO 9 -0.072 -6.835 -6.835 76 1HB PRO 9 1HB PRO 9 -0.710 -4.487 -4.487 77 2HB PRO 9 2HB PRO 9 -0.360 -4.639 -4.639 78 1HG PRO 9 1HG PRO 9 1.565 -3.720 -3.720 79 2HG PRO 9 2HG PRO 9 1.135 -2.958 -2.958 80 1HD PRO 9 1HD PRO 9 3.340 -4.588 -4.588 81 2HD PRO 9 2HD PRO 9 2.348 -4.569 -4.569 82 H ILE 10 H ILE 10 -1.110 -7.649 -7.649 83 HA ILE 10 HA ILE 10 0.147 -7.524 -7.524 84 HB ILE 10 HB ILE 10 -2.327 -8.986 -8.986 85 1HG1 ILE 10 1HG1 ILE 10 -0.419 -9.843 -9.843 86 2HG1 ILE 10 2HG1 ILE 10 -1.103 -11.002 -11.002 87 1HG2 ILE 10 1HG2 ILE 10 -0.718 -9.281 -9.281 88 2HG2 ILE 10 2HG2 ILE 10 -1.996 -10.380 -10.380 89 3HG2 ILE 10 3HG2 ILE 10 -2.382 -8.695 -8.695 90 1HD1 ILE 10 1HD1 ILE 10 0.782 -10.623 -10.623 91 2HD1 ILE 10 2HD1 ILE 10 1.460 -9.423 -9.423 92 3HD1 ILE 10 3HD1 ILE 10 1.335 -11.123 -11.123 93 H CYS 11 H CYS 11 -0.222 -5.223 -5.223 94 HA CYS 11 HA CYS 11 -2.769 -4.018 -4.018 95 1HB CYS 11 1HB CYS 11 -0.381 -3.051 -3.051 96 2HB CYS 11 2HB CYS 11 -1.876 -2.122 -2.122 97 H GLU 12 H GLU 12 -4.140 -5.393 -5.393 98 HA GLU 12 HA GLU 12 -5.434 -6.514 -6.514 99 1HB GLU 12 1HB GLU 12 -5.663 -3.912 -3.912 100 2HB GLU 12 2HB GLU 12 -5.804 -5.098 -5.098 101 1HG GLU 12 1HG GLU 12 -7.464 -4.971 -4.971 102 2HG GLU 12 2HG GLU 12 -8.016 -4.641 -4.641 103 H HIS 13 H HIS 13 -5.887 -7.287 -7.287 104 HA HIS 13 HA HIS 13 -3.517 -8.919 -8.919 105 1HB HIS 13 1HB HIS 13 -6.399 -9.882 -9.882 106 2HB HIS 13 2HB HIS 13 -4.921 -10.832 -10.832 107 HD1 HIS 13 HD1 HIS 13 -7.040 -8.805 -8.805 108 HD2 HIS 13 HD2 HIS 13 -3.732 -11.454 -11.454 109 HE1 HIS 13 HE1 HIS 13 -6.502 -9.444 -9.444 110 HE2 HIS 13 HE2 HIS 13 -4.519 -11.083 -11.083 111 H MET 14 H MET 14 -6.830 -7.678 -7.678 112 HA MET 14 HA MET 14 -6.719 -8.304 -8.304 113 1HB MET 14 1HB MET 14 -8.096 -6.069 -6.069 114 2HB MET 14 2HB MET 14 -8.381 -6.372 -6.372 115 1HG MET 14 1HG MET 14 -8.943 -8.291 -8.291 116 2HG MET 14 2HG MET 14 -10.121 -7.379 -7.379 117 1HE MET 14 3HE MET 14 -10.418 -7.769 -7.769 118 2HE MET 14 1HE MET 14 -8.674 -7.915 -7.915 119 3HE MET 14 2HE MET 14 -9.770 -9.202 -9.202 120 H THR 15 H THR 15 -5.903 -5.271 -5.271 121 HA THR 15 HA THR 15 -4.438 -3.650 -3.650 122 HB THR 15 HB THR 15 -3.134 -5.842 -5.842 123 HG1 THR 15 HG1 THR 15 -2.270 -3.236 -3.236 124 1HG2 THR 15 1HG2 THR 15 -3.623 -4.945 -4.945 125 2HG2 THR 15 2HG2 THR 15 -2.834 -3.417 -3.417 126 3HG2 THR 15 3HG2 THR 15 -1.903 -4.924 -4.924 127 H GLU 16 H GLU 16 -6.405 -4.832 -4.832 128 HA GLU 16 HA GLU 16 -6.355 -2.530 -2.530 129 1HB GLU 16 1HB GLU 16 -8.519 -4.651 -4.651 130 2HB GLU 16 2HB GLU 16 -8.316 -3.583 -3.583 131 1HG GLU 16 1HG GLU 16 -6.148 -4.622 -4.622 132 2HG GLU 16 2HG GLU 16 -6.284 -5.707 -5.707 133 H SER 17 H SER 17 -6.575 -1.178 -1.178 134 HA SER 17 HA SER 17 -7.808 0.206 0.206 135 1HB SER 17 1HB SER 17 -9.201 1.783 1.783 136 2HB SER 17 2HB SER 17 -7.461 1.629 1.629 137 HG SER 17 HG SER 17 -9.226 -0.036 -0.036 138 HA PRO 18 HA PRO 18 -11.966 -1.699 -1.699 139 1HB PRO 18 1HB PRO 18 -11.452 -3.385 -3.385 140 2HB PRO 18 2HB PRO 18 -11.202 -3.928 -3.928 141 1HG PRO 18 1HG PRO 18 -9.106 -2.789 -2.789 142 2HG PRO 18 2HG PRO 18 -9.044 -4.343 -4.343 143 1HD PRO 18 1HD PRO 18 -7.887 -2.065 -2.065 144 2HD PRO 18 2HD PRO 18 -8.680 -3.259 -3.259 145 H ASP 19 H ASP 19 -12.739 -1.515 -1.515 146 HA ASP 19 HA ASP 19 -11.479 0.824 0.824 147 1HB ASP 19 1HB ASP 19 -13.860 0.534 0.534 148 2HB ASP 19 2HB ASP 19 -13.590 -1.135 -1.135 149 H CYS 20 H CYS 20 -10.557 0.484 0.484 150 HA CYS 20 HA CYS 20 -8.449 -1.476 -1.476 151 1HB CYS 20 1HB CYS 20 -9.852 0.226 0.226 152 2HB CYS 20 2HB CYS 20 -8.432 -0.767 -0.767 153 H SER 21 H SER 21 -11.367 -1.047 -1.047 154 HA SER 21 HA SER 21 -12.759 -3.190 -3.190 155 1HB SER 21 1HB SER 21 -11.082 -4.827 -4.827 156 2HB SER 21 2HB SER 21 -10.317 -3.834 -3.834 157 HG SER 21 HG SER 21 -11.511 -5.515 -5.515 158 H ARG 22 H ARG 22 -14.479 -2.191 -2.191 159 HA ARG 22 HA ARG 22 -13.918 -0.284 -0.284 160 1HB ARG 22 1HB ARG 22 -16.480 -1.384 -1.384 161 2HB ARG 22 2HB ARG 22 -16.510 -0.268 -0.268 162 1HG ARG 22 1HG ARG 22 -15.271 0.349 0.349 163 2HG ARG 22 2HG ARG 22 -16.854 0.850 0.850 164 1HD ARG 22 1HD ARG 22 -15.690 2.775 2.775 165 2HD ARG 22 2HD ARG 22 -15.511 1.865 1.865 166 HE ARG 22 HE ARG 22 -13.199 1.690 1.690 167 1HH1 ARG 22 2HH2 ARG 22 -14.832 2.571 2.571 168 2HH1 ARG 22 1HH2 ARG 22 -13.347 2.447 2.447 169 1HH2 ARG 22 2HH1 ARG 22 -11.324 1.620 1.620 170 2HH2 ARG 22 1HH1 ARG 22 -11.478 1.801 1.801 171 H ILE 23 H ILE 23 -13.235 -3.234 -3.234 172 HA ILE 23 HA ILE 23 -14.653 -3.715 -3.715 173 HB ILE 23 HB ILE 23 -12.018 -4.712 -4.712 174 1HG1 ILE 23 1HG1 ILE 23 -14.707 -6.088 -6.088 175 2HG1 ILE 23 2HG1 ILE 23 -14.124 -5.495 -5.495 176 1HG2 ILE 23 2HG2 ILE 23 -13.374 -5.474 -5.474 177 2HG2 ILE 23 3HG2 ILE 23 -11.974 -6.314 -6.314 178 3HG2 ILE 23 1HG2 ILE 23 -11.817 -4.644 -4.644 179 1HD1 ILE 23 2HD1 ILE 23 -12.144 -7.040 -7.040 180 2HD1 ILE 23 3HD1 ILE 23 -12.932 -7.773 -7.773 181 3HD1 ILE 23 1HD1 ILE 23 -13.721 -7.835 -7.835 182 H TYR 24 H TYR 24 -14.176 -2.737 -2.737 183 HA TYR 24 HA TYR 24 -11.915 -0.794 -0.794 184 1HB TYR 24 1HB TYR 24 -14.015 -0.028 -0.028 185 2HB TYR 24 2HB TYR 24 -14.243 -1.559 -1.559 186 HD1 TYR 24 HD2 TYR 24 -12.704 -2.230 -2.230 187 HD2 TYR 24 HD1 TYR 24 -12.821 1.755 1.755 188 HE1 TYR 24 HE2 TYR 24 -11.725 -1.347 -1.347 189 HE2 TYR 24 HE1 TYR 24 -12.021 2.644 2.644 190 HH TYR 24 HH TYR 24 -11.104 2.116 2.116 191 H ASP 25 H ASP 25 -10.002 -1.675 -1.675 192 HA ASP 25 HA ASP 25 -10.034 -3.927 -3.927 193 1HB ASP 25 1HB ASP 25 -10.522 -5.262 -5.262 194 2HB ASP 25 2HB ASP 25 -9.215 -4.474 -4.474 195 HA PRO 26 HA PRO 26 -6.783 -0.807 -0.807 196 1HB PRO 26 1HB PRO 26 -6.226 -0.483 -0.483 197 2HB PRO 26 2HB PRO 26 -7.680 0.154 0.154 198 1HG PRO 26 1HG PRO 26 -7.563 -2.343 -2.343 199 2HG PRO 26 2HG PRO 26 -8.757 -1.021 -1.021 200 1HD PRO 26 1HD PRO 26 -9.174 -3.304 -3.304 201 2HD PRO 26 2HD PRO 26 -9.743 -1.723 -1.723 202 H VAL 27 H VAL 27 -4.447 -0.636 -0.636 203 HA VAL 27 HA VAL 27 -3.046 -3.055 -3.055 204 HB VAL 27 HB VAL 27 -1.656 -3.109 -3.109 205 1HG1 VAL 27 3HG1 VAL 27 -3.548 -4.711 -4.711 206 2HG1 VAL 27 1HG1 VAL 27 -4.583 -3.602 -3.602 207 3HG1 VAL 27 2HG1 VAL 27 -3.159 -4.317 -4.317 208 1HG2 VAL 27 3HG2 VAL 27 -2.077 -0.844 -0.844 209 2HG2 VAL 27 1HG2 VAL 27 -2.423 -2.095 -2.095 210 3HG2 VAL 27 2HG2 VAL 27 -3.762 -1.299 -1.299 211 H CYS 28 H CYS 28 -0.833 -2.560 -2.560 212 HA CYS 28 HA CYS 28 -0.299 0.347 0.347 213 1HB CYS 28 1HB CYS 28 -0.229 -1.098 -1.098 214 2HB CYS 28 2HB CYS 28 0.994 -2.111 -2.111 215 H GLY 29 H GLY 29 0.917 1.232 1.232 216 1HA GLY 29 1HA GLY 29 2.591 -0.378 -0.378 217 2HA GLY 29 2HA GLY 29 2.470 1.371 1.371 218 H THR 30 H THR 30 4.917 -0.055 -0.055 219 HA THR 30 HA THR 30 6.583 -0.060 -0.060 220 HB THR 30 HB THR 30 8.362 0.351 0.351 221 HG1 THR 30 HG1 THR 30 7.023 1.261 1.261 222 1HG2 THR 30 2HG2 THR 30 6.397 -1.983 -1.983 223 2HG2 THR 30 3HG2 THR 30 7.842 -2.001 -2.001 224 3HG2 THR 30 1HG2 THR 30 7.995 -1.848 -1.848 225 H ASP 31 H ASP 31 5.278 2.515 2.515 226 HA ASP 31 HA ASP 31 6.922 4.673 4.673 227 1HB ASP 31 1HB ASP 31 5.127 5.998 5.998 228 2HB ASP 31 2HB ASP 31 5.737 4.697 4.697 229 H GLY 32 H GLY 32 4.508 2.781 2.781 230 1HA GLY 32 1HA GLY 32 3.652 2.987 2.987 231 2HA GLY 32 2HA GLY 32 4.468 4.557 4.557 232 H VAL 33 H VAL 33 2.482 3.995 3.995 233 HA VAL 33 HA VAL 33 0.420 5.838 5.838 234 HB VAL 33 HB VAL 33 0.879 4.648 4.648 235 1HG1 VAL 33 3HG1 VAL 33 -1.177 6.653 6.653 236 2HG1 VAL 33 1HG1 VAL 33 -0.848 6.383 6.383 237 3HG1 VAL 33 2HG1 VAL 33 -1.499 5.071 5.071 238 1HG2 VAL 33 3HG2 VAL 33 2.588 6.354 6.354 239 2HG2 VAL 33 1HG2 VAL 33 1.599 6.843 6.843 240 3HG2 VAL 33 2HG2 VAL 33 1.266 7.506 7.506 241 H THR 34 H THR 34 -1.215 4.892 4.892 242 HA THR 34 HA THR 34 -2.176 2.176 2.176 243 HB THR 34 HB THR 34 -3.332 4.689 4.689 244 HG1 THR 34 HG1 THR 34 -1.662 3.729 3.729 245 1HG2 THR 34 3HG2 THR 34 -4.534 1.916 1.916 246 2HG2 THR 34 1HG2 THR 34 -5.087 3.093 3.093 247 3HG2 THR 34 2HG2 THR 34 -5.186 3.490 3.490 248 H TYR 35 H TYR 35 -3.079 1.714 1.714 249 HA TYR 35 HA TYR 35 -4.468 3.841 3.841 250 1HB TYR 35 1HB TYR 35 -3.556 1.026 1.026 251 2HB TYR 35 2HB TYR 35 -4.526 2.025 2.025 252 HD1 TYR 35 HD2 TYR 35 -3.662 4.175 4.175 253 HD2 TYR 35 HD1 TYR 35 -1.108 1.474 1.474 254 HE1 TYR 35 HE2 TYR 35 -1.683 5.439 5.439 255 HE2 TYR 35 HE1 TYR 35 0.879 2.710 2.710 256 HH TYR 35 HH TYR 35 1.615 4.698 4.698 257 H GLU 36 H GLU 36 -6.664 3.549 3.549 258 HA GLU 36 HA GLU 36 -8.340 1.935 1.935 259 1HB GLU 36 1HB GLU 36 -8.829 4.015 4.015 260 2HB GLU 36 2HB GLU 36 -10.073 2.788 2.788 261 1HG GLU 36 1HG GLU 36 -10.707 4.570 4.570 262 2HG GLU 36 2HG GLU 36 -10.070 3.316 3.316 263 H SER 37 H SER 37 -7.101 1.679 1.679 264 HA SER 37 HA SER 37 -7.762 -1.119 -1.119 265 1HB SER 37 1HB SER 37 -8.822 -0.839 -0.839 266 2HB SER 37 2HB SER 37 -9.818 -0.729 -0.729 267 HG SER 37 HG SER 37 -9.636 1.560 1.560 268 H GLU 38 H GLU 38 -6.656 -2.209 -2.209 269 HA GLU 38 HA GLU 38 -4.093 -1.552 -1.552 270 1HB GLU 38 1HB GLU 38 -6.322 -3.195 -3.195 271 2HB GLU 38 2HB GLU 38 -4.772 -3.033 -3.033 272 1HG GLU 38 1HG GLU 38 -4.536 -3.666 -3.666 273 2HG GLU 38 2HG GLU 38 -5.279 -4.922 -4.922 274 H CYS 39 H CYS 39 -7.223 -0.620 -0.620 275 HA CYS 39 HA CYS 39 -6.332 0.403 0.403 276 1HB CYS 39 1HB CYS 39 -8.725 0.371 0.371 277 2HB CYS 39 2HB CYS 39 -8.386 1.761 1.761 278 H LYS 40 H LYS 40 -6.363 2.126 2.126 279 HA LYS 40 HA LYS 40 -5.304 4.606 4.606 280 1HB LYS 40 1HB LYS 40 -5.916 3.778 3.778 281 2HB LYS 40 2HB LYS 40 -4.987 5.239 5.239 282 1HG LYS 40 1HG LYS 40 -6.762 6.130 6.130 283 2HG LYS 40 2HG LYS 40 -7.796 4.723 4.723 284 1HD LYS 40 1HD LYS 40 -8.299 5.437 5.437 285 2HD LYS 40 2HD LYS 40 -6.655 6.016 6.016 286 1HE LYS 40 1HE LYS 40 -7.097 8.053 8.053 287 2HE LYS 40 2HE LYS 40 -8.773 7.522 7.522 288 1HZ LYS 40 2HZ LYS 40 -7.570 7.988 7.988 289 2HZ LYS 40 3HZ LYS 40 -8.503 9.083 9.083 290 3HZ LYS 40 1HZ LYS 40 -9.131 7.632 7.632 291 H LEU 41 H LEU 41 -3.970 1.700 1.700 292 HA LEU 41 HA LEU 41 -1.300 2.754 2.754 293 1HB LEU 41 1HB LEU 41 -2.089 0.688 0.688 294 2HB LEU 41 2HB LEU 41 -2.144 -0.142 -0.142 295 HG LEU 41 HG LEU 41 0.409 1.198 1.198 296 1HD1 LEU 41 2HD1 LEU 41 -0.348 -0.308 -0.308 297 2HD1 LEU 41 3HD1 LEU 41 -0.534 -1.626 -1.626 298 3HD1 LEU 41 1HD1 LEU 41 1.078 -0.963 -0.963 299 1HD2 LEU 41 2HD2 LEU 41 -0.122 -1.142 -1.142 300 2HD2 LEU 41 3HD2 LEU 41 0.567 0.422 0.422 301 3HD2 LEU 41 1HD2 LEU 41 1.473 -0.635 -0.635 302 H CYS 42 H CYS 42 -2.825 0.798 0.798 303 HA CYS 42 HA CYS 42 -0.730 0.747 0.747 304 1HB CYS 42 1HB CYS 42 -3.739 0.661 0.661 305 2HB CYS 42 2HB CYS 42 -2.551 0.310 0.310 306 H LEU 43 H LEU 43 -3.435 3.077 3.077 307 HA LEU 43 HA LEU 43 -2.687 4.870 4.870 308 1HB LEU 43 1HB LEU 43 -4.006 5.192 5.192 309 2HB LEU 43 2HB LEU 43 -3.756 6.595 6.595 310 HG LEU 43 HG LEU 43 -5.236 4.159 4.159 311 1HD1 LEU 43 3HD1 LEU 43 -6.370 6.549 6.549 312 2HD1 LEU 43 1HD1 LEU 43 -7.338 5.495 5.495 313 3HD1 LEU 43 2HD1 LEU 43 -6.579 4.825 4.825 314 1HD2 LEU 43 2HD2 LEU 43 -4.402 5.848 5.848 315 2HD2 LEU 43 3HD2 LEU 43 -6.173 5.822 5.822 316 3HD2 LEU 43 1HD2 LEU 43 -5.263 7.115 7.115 317 H ALA 44 H ALA 44 -1.614 4.923 4.923 318 HA ALA 44 HA ALA 44 0.136 7.132 7.132 319 1HB ALA 44 1HB ALA 44 -0.579 6.346 6.346 320 2HB ALA 44 1HB ALA 44 0.363 4.859 4.859 321 3HB ALA 44 2HB ALA 44 1.186 6.426 6.426 322 H ARG 45 H ARG 45 0.820 3.672 3.672 323 HA ARG 45 HA ARG 45 3.572 3.604 3.604 324 1HB ARG 45 1HB ARG 45 2.148 1.712 1.712 325 2HB ARG 45 2HB ARG 45 1.251 1.864 1.864 326 1HG ARG 45 1HG ARG 45 3.248 1.241 1.241 327 2HG ARG 45 2HG ARG 45 4.172 1.088 1.088 328 1HD ARG 45 1HD ARG 45 1.618 -0.501 -0.501 329 2HD ARG 45 2HD ARG 45 3.241 -1.117 -1.117 330 HE ARG 45 HE ARG 45 1.712 -1.027 -1.027 331 1HH1 ARG 45 2HH2 ARG 45 5.041 -0.966 -0.966 332 2HH1 ARG 45 1HH2 ARG 45 5.728 -1.668 -1.668 333 1HH2 ARG 45 2HH1 ARG 45 2.731 -2.096 -2.096 334 2HH2 ARG 45 1HH1 ARG 45 4.456 -2.373 -2.373 335 H ILE 46 H ILE 46 0.824 3.840 3.840 336 HA ILE 46 HA ILE 46 2.604 4.026 4.026 337 HB ILE 46 HB ILE 46 -0.370 4.547 4.547 338 1HG1 ILE 46 1HG1 ILE 46 1.082 2.259 2.259 339 2HG1 ILE 46 2HG1 ILE 46 0.607 2.167 2.167 340 1HG2 ILE 46 3HG2 ILE 46 1.254 4.450 4.450 341 2HG2 ILE 46 1HG2 ILE 46 -0.518 4.473 4.473 342 3HG2 ILE 46 2HG2 ILE 46 0.395 5.864 5.864 343 1HD1 ILE 46 2HD1 ILE 46 -1.779 2.547 2.547 344 2HD1 ILE 46 3HD1 ILE 46 -1.287 2.432 2.432 345 3HD1 ILE 46 1HD1 ILE 46 -1.065 1.050 1.050 346 H GLU 47 H GLU 47 0.903 6.473 6.473 347 HA GLU 47 HA GLU 47 1.461 8.682 8.682 348 1HB GLU 47 1HB GLU 47 -0.248 8.513 8.513 349 2HB GLU 47 2HB GLU 47 1.101 8.641 8.641 350 1HG GLU 47 1HG GLU 47 1.608 10.883 10.883 351 2HG GLU 47 2HG GLU 47 -0.045 10.671 10.671 352 H ASN 48 H ASN 48 3.047 7.417 7.417 353 HA ASN 48 HA ASN 48 5.279 9.281 9.281 354 1HB ASN 48 1HB ASN 48 4.854 6.646 6.646 355 2HB ASN 48 2HB ASN 48 6.239 7.727 7.727 356 1HD2 ASN 48 2HD2 ASN 48 2.696 8.958 8.958 357 2HD2 ASN 48 1HD2 ASN 48 2.679 7.714 7.714 358 H LYS 49 H LYS 49 4.599 6.131 6.131 359 HA LYS 49 HA LYS 49 5.757 4.630 4.630 360 1HB LYS 49 1HB LYS 49 7.538 6.968 6.968 361 2HB LYS 49 2HB LYS 49 7.434 5.393 5.393 362 1HG LYS 49 1HG LYS 49 5.080 5.815 5.815 363 2HG LYS 49 2HG LYS 49 5.140 7.404 7.404 364 1HD LYS 49 1HD LYS 49 6.359 8.403 8.403 365 2HD LYS 49 2HD LYS 49 7.239 6.928 6.928 366 1HE LYS 49 1HE LYS 49 5.059 6.018 6.018 367 2HE LYS 49 2HE LYS 49 4.369 7.643 7.643 368 1HZ LYS 49 1HZ LYS 49 6.828 7.020 7.020 369 2HZ LYS 49 2HZ LYS 49 5.356 7.142 7.142 370 3HZ LYS 49 3HZ LYS 49 6.030 8.475 8.475 371 H GLN 50 H GLN 50 6.136 3.884 3.884 372 HA GLN 50 HA GLN 50 9.067 3.778 3.778 373 1HB GLN 50 1HB GLN 50 6.778 4.459 4.459 374 2HB GLN 50 2HB GLN 50 8.340 3.869 3.869 375 1HG GLN 50 1HG GLN 50 9.514 5.765 5.765 376 2HG GLN 50 2HG GLN 50 8.037 6.385 6.385 377 1HE2 GLN 50 2HE2 GLN 50 8.725 7.798 7.798 378 2HE2 GLN 50 1HE2 GLN 50 9.856 7.595 7.595 379 H ASP 51 H ASP 51 9.772 1.832 1.832 380 HA ASP 51 HA ASP 51 8.059 -0.510 -0.510 381 1HB ASP 51 1HB ASP 51 10.472 -0.521 -0.521 382 2HB ASP 51 2HB ASP 51 10.897 -0.169 -0.169 383 H ILE 52 H ILE 52 6.518 0.635 0.635 384 HA ILE 52 HA ILE 52 7.147 0.712 0.712 385 HB ILE 52 HB ILE 52 4.538 0.792 0.792 386 1HG1 ILE 52 1HG1 ILE 52 6.206 2.921 2.921 387 2HG1 ILE 52 2HG1 ILE 52 5.996 2.695 2.695 388 1HG2 ILE 52 3HG2 ILE 52 4.904 1.281 1.281 389 2HG2 ILE 52 1HG2 ILE 52 3.421 1.575 1.575 390 3HG2 ILE 52 2HG2 ILE 52 3.990 -0.061 -0.061 391 1HD1 ILE 52 3HD1 ILE 52 3.503 3.140 3.140 392 2HD1 ILE 52 1HD1 ILE 52 3.936 3.696 3.696 393 3HD1 ILE 52 2HD1 ILE 52 4.606 4.514 4.514 394 H GLN 53 H GLN 53 6.088 -0.843 -0.843 395 HA GLN 53 HA GLN 53 4.879 -3.190 -3.190 396 1HB GLN 53 1HB GLN 53 7.578 -3.446 -3.446 397 2HB GLN 53 2HB GLN 53 6.774 -4.006 -4.006 398 1HG GLN 53 1HG GLN 53 6.084 -5.936 -5.936 399 2HG GLN 53 2HG GLN 53 5.503 -5.078 -5.078 400 1HE2 GLN 53 2HE2 GLN 53 8.922 -7.047 -7.047 401 2HE2 GLN 53 1HE2 GLN 53 8.211 -6.876 -6.876 402 H ILE 54 H ILE 54 3.840 -4.617 -4.617 403 HA ILE 54 HA ILE 54 2.551 -2.815 -2.815 404 HB ILE 54 HB ILE 54 1.879 -5.541 -5.541 405 1HG1 ILE 54 1HG1 ILE 54 0.251 -2.986 -2.986 406 2HG1 ILE 54 2HG1 ILE 54 1.434 -3.407 -3.407 407 1HG2 ILE 54 3HG2 ILE 54 0.513 -3.945 -3.945 408 2HG2 ILE 54 1HG2 ILE 54 -0.213 -5.359 -5.359 409 3HG2 ILE 54 2HG2 ILE 54 1.254 -5.552 -5.552 410 1HD1 ILE 54 3HD1 ILE 54 0.282 -5.514 -5.514 411 2HD1 ILE 54 1HD1 ILE 54 -0.965 -5.121 -5.121 412 3HD1 ILE 54 2HD1 ILE 54 -0.764 -4.101 -4.101 413 H VAL 55 H VAL 55 3.427 -2.888 -2.888 414 HA VAL 55 HA VAL 55 5.405 -4.949 -4.949 415 HB VAL 55 HB VAL 55 4.118 -2.824 -2.824 416 1HG1 VAL 55 3HG1 VAL 55 6.648 -4.521 -4.521 417 2HG1 VAL 55 1HG1 VAL 55 6.216 -3.180 -3.180 418 3HG1 VAL 55 2HG1 VAL 55 5.197 -4.624 -4.624 419 1HG2 VAL 55 2HG2 VAL 55 6.705 -2.760 -2.760 420 2HG2 VAL 55 3HG2 VAL 55 5.253 -1.759 -1.759 421 3HG2 VAL 55 1HG2 VAL 55 6.220 -1.552 -1.552 422 H LYS 56 H LYS 56 2.004 -4.098 -4.098 423 HA LYS 56 HA LYS 56 1.467 -6.842 -6.842 424 1HB LYS 56 1HB LYS 56 0.744 -6.372 -6.372 425 2HB LYS 56 2HB LYS 56 2.464 -6.039 -6.039 426 1HG LYS 56 1HG LYS 56 1.904 -3.588 -3.588 427 2HG LYS 56 2HG LYS 56 0.218 -3.977 -3.977 428 1HD LYS 56 1HD LYS 56 1.185 -5.047 -5.047 429 2HD LYS 56 2HD LYS 56 2.720 -4.314 -4.314 430 1HE LYS 56 1HE LYS 56 1.795 -2.728 -2.728 431 2HE LYS 56 2HE LYS 56 1.468 -2.067 -2.067 432 1HZ LYS 56 3HZ LYS 56 -0.472 -3.516 -3.516 433 2HZ LYS 56 1HZ LYS 56 -0.387 -1.910 -1.910 434 3HZ LYS 56 2HZ LYS 56 -0.830 -2.869 -2.869 435 H ASP 57 H ASP 57 -0.681 -7.299 -7.299 436 HA ASP 57 HA ASP 57 -2.383 -5.651 -5.651 437 1HB ASP 57 1HB ASP 57 -3.167 -8.071 -8.071 438 2HB ASP 57 2HB ASP 57 -3.953 -7.466 -7.466 439 H GLY 58 H GLY 58 -4.440 -4.617 -4.617 440 1HA GLY 58 1HA GLY 58 -5.798 -3.558 -3.558 441 2HA GLY 58 2HA GLY 58 -5.042 -4.369 -4.369 442 H GLU 59 H GLU 59 -5.406 -1.807 -1.807 443 HA GLU 59 HA GLU 59 -3.692 0.023 0.023 444 1HB GLU 59 1HB GLU 59 -4.594 0.193 0.193 445 2HB GLU 59 2HB GLU 59 -4.218 1.517 1.517 446 1HG GLU 59 1HG GLU 59 -6.484 1.595 1.595 447 2HG GLU 59 2HG GLU 59 -6.242 0.222 0.222 448 H CYS 60 H CYS 60 -2.045 1.372 1.372 449 HA CYS 60 HA CYS 60 0.218 -0.303 -0.303 450 1HB CYS 60 1HB CYS 60 -0.164 2.693 2.693 451 2HB CYS 60 2HB CYS 60 1.334 1.851 1.851 Start of MODEL 8 1 1H GLU 1 3HN GLU 1 12.633 -5.532 -5.532 2 2H GLU 1 1HN GLU 1 11.962 -4.061 -4.061 3 3H GLU 1 2HN GLU 1 13.618 -4.306 -4.306 4 HA GLU 1 HA GLU 1 13.571 -4.696 -4.696 5 1HB GLU 1 1HB GLU 1 12.316 -2.104 -2.104 6 2HB GLU 1 2HB GLU 1 12.678 -2.379 -2.379 7 1HG GLU 1 1HG GLU 1 14.482 -1.137 -1.137 8 2HG GLU 1 2HG GLU 1 15.068 -2.752 -2.752 9 H LYS 2 H LYS 2 12.198 -4.244 -4.244 10 HA LYS 2 HA LYS 2 10.659 -4.868 -4.868 11 1HB LYS 2 1HB LYS 2 8.395 -4.319 -4.319 12 2HB LYS 2 2HB LYS 2 9.361 -3.062 -3.062 13 1HG LYS 2 1HG LYS 2 8.418 -5.169 -5.169 14 2HG LYS 2 2HG LYS 2 7.116 -4.371 -4.371 15 1HD LYS 2 1HD LYS 2 9.311 -2.738 -2.738 16 2HD LYS 2 2HD LYS 2 7.937 -3.360 -3.360 17 1HE LYS 2 1HE LYS 2 6.350 -2.195 -2.195 18 2HE LYS 2 2HE LYS 2 7.688 -1.651 -1.651 19 1HZ LYS 2 3HZ LYS 2 8.293 -0.729 -0.729 20 2HZ LYS 2 1HZ LYS 2 6.659 -0.510 -0.510 21 3HZ LYS 2 2HZ LYS 2 7.642 0.160 0.160 22 H GLN 3 H GLN 3 8.719 -6.324 -6.324 23 HA GLN 3 HA GLN 3 9.142 -9.014 -9.014 24 1HB GLN 3 1HB GLN 3 7.667 -7.807 -7.807 25 2HB GLN 3 2HB GLN 3 6.464 -8.547 -8.547 26 1HG GLN 3 1HG GLN 3 7.587 -10.703 -10.703 27 2HG GLN 3 2HG GLN 3 8.941 -10.024 -10.024 28 1HE2 GLN 3 2HE2 GLN 3 6.841 -9.538 -9.538 29 2HE2 GLN 3 1HE2 GLN 3 8.101 -8.711 -8.711 30 H VAL 4 H VAL 4 7.825 -10.074 -10.074 31 HA VAL 4 HA VAL 4 6.844 -10.359 -10.359 32 HB VAL 4 HB VAL 4 5.121 -8.611 -8.611 33 1HG1 VAL 4 2HG1 VAL 4 6.135 -6.636 -6.636 34 2HG1 VAL 4 3HG1 VAL 4 5.699 -7.473 -7.473 35 3HG1 VAL 4 1HG1 VAL 4 4.441 -6.963 -6.963 36 1HG2 VAL 4 2HG2 VAL 4 4.534 -10.636 -10.636 37 2HG2 VAL 4 3HG2 VAL 4 3.608 -9.252 -9.252 38 3HG2 VAL 4 1HG2 VAL 4 4.978 -9.868 -9.868 39 H PHE 5 H PHE 5 7.377 -10.066 -10.066 40 HA PHE 5 HA PHE 5 9.243 -7.843 -7.843 41 1HB PHE 5 1HB PHE 5 8.993 -10.533 -10.533 42 2HB PHE 5 2HB PHE 5 10.157 -9.259 -9.259 43 HD1 PHE 5 1HD PHE 5 11.721 -8.566 -8.566 44 HD2 PHE 5 1HD PHE 5 9.604 -12.320 -12.320 45 HE1 PHE 5 1HE PHE 5 13.367 -9.625 -9.625 46 HE2 PHE 5 2HE PHE 5 11.136 -13.291 -13.291 47 HZ PHE 5 HZ PHE 5 12.987 -11.916 -11.916 48 H SER 6 H SER 6 8.627 -6.920 -6.920 49 HA SER 6 HA SER 6 5.744 -6.717 -6.717 50 1HB SER 6 1HB SER 6 6.241 -5.316 -5.316 51 2HB SER 6 2HB SER 6 6.799 -4.677 -4.677 52 HG SER 6 HG SER 6 8.883 -5.552 -5.552 53 H ARG 7 H ARG 7 4.464 -6.969 -6.969 54 HA ARG 7 HA ARG 7 5.112 -9.409 -9.409 55 1HB ARG 7 1HB ARG 7 2.871 -10.221 -10.221 56 2HB ARG 7 2HB ARG 7 3.631 -10.005 -10.005 57 1HG ARG 7 1HG ARG 7 1.641 -9.132 -9.132 58 2HG ARG 7 2HG ARG 7 2.331 -7.640 -7.640 59 1HD ARG 7 1HD ARG 7 1.209 -8.020 -8.020 60 2HD ARG 7 2HD ARG 7 0.695 -9.636 -9.636 61 HE ARG 7 HE ARG 7 -0.443 -7.970 -7.970 62 1HH1 ARG 7 2HH2 ARG 7 -0.738 -8.606 -8.606 63 2HH1 ARG 7 1HH2 ARG 7 -2.341 -7.906 -7.906 64 1HH2 ARG 7 2HH1 ARG 7 -2.561 -7.354 -7.354 65 2HH2 ARG 7 1HH1 ARG 7 -3.400 -7.324 -7.324 66 H MET 8 H MET 8 4.595 -9.209 -9.209 67 HA MET 8 HA MET 8 4.335 -6.424 -6.424 68 1HB MET 8 1HB MET 8 4.975 -8.923 -8.923 69 2HB MET 8 2HB MET 8 4.946 -7.293 -7.293 70 1HG MET 8 1HG MET 8 6.683 -6.525 -6.525 71 2HG MET 8 2HG MET 8 6.614 -7.935 -7.935 72 1HE MET 8 1HE MET 8 6.675 -10.449 -10.449 73 2HE MET 8 2HE MET 8 8.423 -10.668 -10.668 74 3HE MET 8 3HE MET 8 7.789 -10.133 -10.133 75 HA PRO 9 HA PRO 9 -0.030 -7.152 -7.152 76 1HB PRO 9 1HB PRO 9 -0.732 -4.642 -4.642 77 2HB PRO 9 2HB PRO 9 -0.650 -5.318 -5.318 78 1HG PRO 9 1HG PRO 9 1.565 -3.661 -3.661 79 2HG PRO 9 2HG PRO 9 0.827 -3.403 -3.403 80 1HD PRO 9 1HD PRO 9 3.117 -4.751 -4.751 81 2HD PRO 9 2HD PRO 9 1.950 -5.265 -5.265 82 H ILE 10 H ILE 10 -0.740 -6.879 -6.879 83 HA ILE 10 HA ILE 10 1.736 -6.881 -6.881 84 HB ILE 10 HB ILE 10 -0.728 -8.553 -8.553 85 1HG1 ILE 10 1HG1 ILE 10 1.615 -9.379 -9.379 86 2HG1 ILE 10 2HG1 ILE 10 -0.009 -8.992 -8.992 87 1HG2 ILE 10 3HG2 ILE 10 1.114 -8.271 -8.271 88 2HG2 ILE 10 1HG2 ILE 10 2.225 -9.043 -9.043 89 3HG2 ILE 10 2HG2 ILE 10 0.823 -9.933 -9.933 90 1HD1 ILE 10 3HD1 ILE 10 -0.972 -10.789 -10.789 91 2HD1 ILE 10 1HD1 ILE 10 0.681 -11.331 -11.331 92 3HD1 ILE 10 2HD1 ILE 10 0.086 -11.322 -11.322 93 H CYS 11 H CYS 11 1.173 -4.533 -4.533 94 HA CYS 11 HA CYS 11 -0.772 -4.066 -4.066 95 1HB CYS 11 1HB CYS 11 0.972 -2.250 -2.250 96 2HB CYS 11 2HB CYS 11 1.023 -1.993 -1.993 97 H GLU 12 H GLU 12 -0.129 -3.969 -3.969 98 HA GLU 12 HA GLU 12 2.590 -4.712 -4.712 99 1HB GLU 12 1HB GLU 12 1.886 -4.997 -4.997 100 2HB GLU 12 2HB GLU 12 0.862 -5.967 -5.967 101 1HG GLU 12 1HG GLU 12 0.073 -3.385 -3.385 102 2HG GLU 12 2HG GLU 12 -0.422 -5.017 -5.017 103 H HIS 13 H HIS 13 0.074 -2.331 -2.331 104 HA HIS 13 HA HIS 13 1.688 0.064 0.064 105 1HB HIS 13 1HB HIS 13 1.305 -1.435 -1.435 106 2HB HIS 13 2HB HIS 13 0.721 0.206 0.206 107 HD1 HIS 13 HD1 HIS 13 2.511 2.185 2.185 108 HD2 HIS 13 HD2 HIS 13 3.944 -1.776 -1.776 109 HE1 HIS 13 HE1 HIS 13 4.981 2.283 2.283 110 HE2 HIS 13 HE2 HIS 13 5.849 -0.140 -0.140 111 H MET 14 H MET 14 -1.388 -1.648 -1.648 112 HA MET 14 HA MET 14 -2.851 0.920 0.920 113 1HB MET 14 1HB MET 14 -3.621 -1.982 -1.982 114 2HB MET 14 2HB MET 14 -4.763 -0.639 -0.639 115 1HG MET 14 1HG MET 14 -2.234 -0.604 -0.604 116 2HG MET 14 2HG MET 14 -3.523 -1.726 -1.726 117 1HE MET 14 2HE MET 14 -2.758 2.127 2.127 118 2HE MET 14 3HE MET 14 -4.228 2.841 2.841 119 3HE MET 14 1HE MET 14 -4.342 1.971 1.971 120 H THR 15 H THR 15 -4.443 -1.862 -1.862 121 HA THR 15 HA THR 15 -3.831 -1.180 -1.180 122 HB THR 15 HB THR 15 -5.283 0.670 0.670 123 HG1 THR 15 HG1 THR 15 -7.182 -0.449 -0.449 124 1HG2 THR 15 2HG2 THR 15 -6.546 -0.186 -0.186 125 2HG2 THR 15 3HG2 THR 15 -7.412 -1.320 -1.320 126 3HG2 THR 15 1HG2 THR 15 -7.625 0.432 0.432 127 H GLU 16 H GLU 16 -4.462 -2.746 -2.746 128 HA GLU 16 HA GLU 16 -5.465 -5.297 -5.297 129 1HB GLU 16 1HB GLU 16 -4.867 -4.205 -4.205 130 2HB GLU 16 2HB GLU 16 -5.253 -5.898 -5.898 131 1HG GLU 16 1HG GLU 16 -3.243 -6.140 -6.140 132 2HG GLU 16 2HG GLU 16 -2.864 -4.437 -4.437 133 H SER 17 H SER 17 -6.747 -2.327 -2.327 134 HA SER 17 HA SER 17 -8.570 -1.981 -1.981 135 1HB SER 17 1HB SER 17 -9.762 -2.820 -2.820 136 2HB SER 17 2HB SER 17 -10.567 -1.836 -1.836 137 HG SER 17 HG SER 17 -9.560 -0.502 -0.502 138 HA PRO 18 HA PRO 18 -9.936 -6.310 -6.310 139 1HB PRO 18 1HB PRO 18 -9.070 -6.304 -6.304 140 2HB PRO 18 2HB PRO 18 -8.130 -6.932 -6.932 141 1HG PRO 18 1HG PRO 18 -7.860 -4.254 -4.254 142 2HG PRO 18 2HG PRO 18 -6.583 -5.357 -5.357 143 1HD PRO 18 1HD PRO 18 -7.374 -3.172 -3.172 144 2HD PRO 18 2HD PRO 18 -6.856 -4.717 -4.717 145 H ASP 19 H ASP 19 -9.690 -3.481 -3.481 146 HA ASP 19 HA ASP 19 -12.646 -3.495 -3.495 147 1HB ASP 19 1HB ASP 19 -10.503 -3.928 -3.928 148 2HB ASP 19 2HB ASP 19 -11.846 -2.910 -2.910 149 H CYS 20 H CYS 20 -11.711 -1.902 -1.902 150 HA CYS 20 HA CYS 20 -11.993 0.826 0.826 151 1HB CYS 20 1HB CYS 20 -11.278 -0.095 -0.095 152 2HB CYS 20 2HB CYS 20 -12.331 1.303 1.303 153 H SER 21 H SER 21 -13.856 -0.231 -0.231 154 HA SER 21 HA SER 21 -16.273 0.438 0.438 155 1HB SER 21 1HB SER 21 -16.095 -2.270 -2.270 156 2HB SER 21 2HB SER 21 -17.414 -1.649 -1.649 157 HG SER 21 HG SER 21 -15.623 -1.477 -1.477 158 H ARG 22 H ARG 22 -14.920 1.764 1.764 159 HA ARG 22 HA ARG 22 -14.835 2.594 2.594 160 1HB ARG 22 1HB ARG 22 -17.758 2.294 2.294 161 2HB ARG 22 2HB ARG 22 -17.136 3.276 3.276 162 1HG ARG 22 1HG ARG 22 -15.954 4.745 4.745 163 2HG ARG 22 2HG ARG 22 -16.492 3.696 3.696 164 1HD ARG 22 1HD ARG 22 -18.027 5.478 5.478 165 2HD ARG 22 2HD ARG 22 -18.867 4.116 4.116 166 HE ARG 22 HE ARG 22 -17.576 5.879 5.879 167 1HH1 ARG 22 2HH2 ARG 22 -20.479 5.448 5.448 168 2HH1 ARG 22 1HH2 ARG 22 -21.384 6.674 6.674 169 1HH2 ARG 22 2HH1 ARG 22 -18.725 7.715 7.715 170 2HH2 ARG 22 1HH1 ARG 22 -20.462 7.763 7.763 171 H ILE 23 H ILE 23 -14.746 -0.406 -0.406 172 HA ILE 23 HA ILE 23 -15.896 -1.369 -1.369 173 HB ILE 23 HB ILE 23 -13.793 -2.313 -2.313 174 1HG1 ILE 23 1HG1 ILE 23 -16.214 -2.158 -2.158 175 2HG1 ILE 23 2HG1 ILE 23 -15.418 -3.683 -3.683 176 1HG2 ILE 23 1HG2 ILE 23 -14.791 -3.777 -3.777 177 2HG2 ILE 23 2HG2 ILE 23 -13.998 -4.575 -4.575 178 3HG2 ILE 23 3HG2 ILE 23 -13.127 -3.357 -3.357 179 1HD1 ILE 23 1HD1 ILE 23 -16.593 -4.536 -4.536 180 2HD1 ILE 23 2HD1 ILE 23 -17.361 -2.937 -2.937 181 3HD1 ILE 23 3HD1 ILE 23 -17.724 -3.943 -3.943 182 H TYR 24 H TYR 24 -15.112 -0.979 -0.979 183 HA TYR 24 HA TYR 24 -12.672 0.593 0.593 184 1HB TYR 24 1HB TYR 24 -14.733 1.057 1.057 185 2HB TYR 24 2HB TYR 24 -14.668 -0.521 -0.521 186 HD1 TYR 24 HD2 TYR 24 -12.746 2.685 2.685 187 HD2 TYR 24 HD1 TYR 24 -13.541 -0.719 -0.719 188 HE1 TYR 24 HE2 TYR 24 -11.506 3.761 3.761 189 HE2 TYR 24 HE1 TYR 24 -12.426 0.433 0.433 190 HH TYR 24 HH TYR 24 -10.926 3.633 3.633 191 H ASP 25 H ASP 25 -10.874 -0.762 -0.762 192 HA ASP 25 HA ASP 25 -10.356 -2.920 -2.920 193 1HB ASP 25 1HB ASP 25 -11.644 -4.047 -4.047 194 2HB ASP 25 2HB ASP 25 -10.379 -3.559 -3.559 195 HA PRO 26 HA PRO 26 -6.988 -0.237 -0.237 196 1HB PRO 26 1HB PRO 26 -5.803 0.168 0.168 197 2HB PRO 26 2HB PRO 26 -7.121 1.155 1.155 198 1HG PRO 26 1HG PRO 26 -7.311 -1.148 -1.148 199 2HG PRO 26 2HG PRO 26 -8.202 0.407 0.407 200 1HD PRO 26 1HD PRO 26 -9.276 -1.919 -1.919 201 2HD PRO 26 2HD PRO 26 -9.699 -0.349 -0.349 202 H VAL 27 H VAL 27 -4.569 -0.339 -0.339 203 HA VAL 27 HA VAL 27 -3.445 -2.848 -2.848 204 HB VAL 27 HB VAL 27 -2.260 -3.312 -3.312 205 1HG1 VAL 27 3HG1 VAL 27 -4.399 -4.542 -4.542 206 2HG1 VAL 27 1HG1 VAL 27 -5.268 -3.432 -3.432 207 3HG1 VAL 27 2HG1 VAL 27 -4.013 -4.500 -4.500 208 1HG2 VAL 27 3HG2 VAL 27 -2.493 -1.084 -1.084 209 2HG2 VAL 27 1HG2 VAL 27 -3.065 -2.372 -2.372 210 3HG2 VAL 27 2HG2 VAL 27 -4.234 -1.347 -1.347 211 H CYS 28 H CYS 28 -1.161 -2.639 -2.639 212 HA CYS 28 HA CYS 28 -0.414 0.155 0.155 213 1HB CYS 28 1HB CYS 28 -0.423 -1.663 -1.663 214 2HB CYS 28 2HB CYS 28 0.854 -2.485 -2.485 215 H GLY 29 H GLY 29 1.050 1.258 1.258 216 1HA GLY 29 1HA GLY 29 2.333 -0.314 -0.314 217 2HA GLY 29 2HA GLY 29 2.015 1.417 1.417 218 H THR 30 H THR 30 4.593 -0.064 -0.064 219 HA THR 30 HA THR 30 6.439 0.377 0.377 220 HB THR 30 HB THR 30 8.142 0.377 0.377 221 HG1 THR 30 HG1 THR 30 6.889 1.054 1.054 222 1HG2 THR 30 3HG2 THR 30 6.151 -1.914 -1.914 223 2HG2 THR 30 1HG2 THR 30 7.751 -2.043 -2.043 224 3HG2 THR 30 2HG2 THR 30 7.633 -1.630 -1.630 225 H ASP 31 H ASP 31 4.785 2.729 2.729 226 HA ASP 31 HA ASP 31 6.854 4.766 4.766 227 1HB ASP 31 1HB ASP 31 5.150 6.158 6.158 228 2HB ASP 31 2HB ASP 31 4.905 4.557 4.557 229 H GLY 32 H GLY 32 4.697 3.416 3.416 230 1HA GLY 32 1HA GLY 32 5.133 3.761 3.761 231 2HA GLY 32 2HA GLY 32 5.499 5.456 5.456 232 H VAL 33 H VAL 33 2.869 4.616 4.616 233 HA VAL 33 HA VAL 33 0.968 5.920 5.920 234 HB VAL 33 HB VAL 33 0.947 5.449 5.449 235 1HG1 VAL 33 2HG1 VAL 33 -0.804 7.295 7.295 236 2HG1 VAL 33 3HG1 VAL 33 -0.735 7.194 7.194 237 3HG1 VAL 33 1HG1 VAL 33 -1.349 5.832 5.832 238 1HG2 VAL 33 3HG2 VAL 33 1.708 7.839 7.839 239 2HG2 VAL 33 1HG2 VAL 33 2.798 6.971 6.971 240 3HG2 VAL 33 2HG2 VAL 33 1.487 7.945 7.945 241 H THR 34 H THR 34 -1.243 5.106 5.106 242 HA THR 34 HA THR 34 -1.524 2.163 2.163 243 HB THR 34 HB THR 34 -3.280 4.030 4.030 244 HG1 THR 34 HG1 THR 34 -1.101 3.532 3.532 245 1HG2 THR 34 1HG2 THR 34 -4.429 2.058 2.058 246 2HG2 THR 34 2HG2 THR 34 -3.236 0.993 0.993 247 3HG2 THR 34 3HG2 THR 34 -4.358 1.969 1.969 248 H TYR 35 H TYR 35 -2.391 1.829 1.829 249 HA TYR 35 HA TYR 35 -3.911 3.979 3.979 250 1HB TYR 35 1HB TYR 35 -2.941 1.233 1.233 251 2HB TYR 35 2HB TYR 35 -4.052 2.190 2.190 252 HD1 TYR 35 HD1 TYR 35 -0.593 2.105 2.105 253 HD2 TYR 35 HD2 TYR 35 -3.407 4.249 4.249 254 HE1 TYR 35 HE1 TYR 35 1.210 3.610 3.610 255 HE2 TYR 35 HE2 TYR 35 -1.614 5.811 5.811 256 HH TYR 35 HH TYR 35 1.649 5.635 5.635 257 H GLU 36 H GLU 36 -6.029 3.594 3.594 258 HA GLU 36 HA GLU 36 -7.715 2.346 2.346 259 1HB GLU 36 1HB GLU 36 -8.360 3.565 3.565 260 2HB GLU 36 2HB GLU 36 -9.510 3.261 3.261 261 1HG GLU 36 1HG GLU 36 -8.610 4.958 4.958 262 2HG GLU 36 2HG GLU 36 -7.127 5.114 5.114 263 H SER 37 H SER 37 -6.433 1.308 1.308 264 HA SER 37 HA SER 37 -7.040 -1.372 -1.372 265 1HB SER 37 1HB SER 37 -8.636 -1.578 -1.578 266 2HB SER 37 2HB SER 37 -9.301 -1.260 -1.260 267 HG SER 37 HG SER 37 -9.570 0.838 0.838 268 H GLU 38 H GLU 38 -6.327 -2.667 -2.667 269 HA GLU 38 HA GLU 38 -3.842 -1.596 -1.596 270 1HB GLU 38 1HB GLU 38 -4.964 -3.884 -3.884 271 2HB GLU 38 2HB GLU 38 -3.323 -3.587 -3.587 272 1HG GLU 38 1HG GLU 38 -3.904 -5.190 -5.190 273 2HG GLU 38 2HG GLU 38 -4.537 -3.836 -3.836 274 H CYS 39 H CYS 39 -6.888 -1.347 -1.347 275 HA CYS 39 HA CYS 39 -6.219 -0.941 -0.941 276 1HB CYS 39 1HB CYS 39 -8.575 -0.999 -0.999 277 2HB CYS 39 2HB CYS 39 -8.289 0.516 0.516 278 H LYS 40 H LYS 40 -6.656 1.587 1.587 279 HA LYS 40 HA LYS 40 -5.379 3.676 3.676 280 1HB LYS 40 1HB LYS 40 -6.292 3.317 3.317 281 2HB LYS 40 2HB LYS 40 -5.363 4.755 4.755 282 1HG LYS 40 1HG LYS 40 -6.984 5.583 5.583 283 2HG LYS 40 2HG LYS 40 -7.668 4.008 4.008 284 1HD LYS 40 1HD LYS 40 -9.130 5.527 5.527 285 2HD LYS 40 2HD LYS 40 -8.900 3.866 3.866 286 1HE LYS 40 1HE LYS 40 -8.958 5.286 5.286 287 2HE LYS 40 2HE LYS 40 -7.317 4.668 4.668 288 1HZ LYS 40 1HZ LYS 40 -8.095 7.373 7.373 289 2HZ LYS 40 2HZ LYS 40 -7.549 6.992 6.992 290 3HZ LYS 40 3HZ LYS 40 -6.570 6.762 6.762 291 H LEU 41 H LEU 41 -4.132 1.130 1.130 292 HA LEU 41 HA LEU 41 -1.600 2.454 2.454 293 1HB LEU 41 1HB LEU 41 -2.646 0.580 0.580 294 2HB LEU 41 2HB LEU 41 -2.116 -0.522 -0.522 295 HG LEU 41 HG LEU 41 -0.121 1.300 1.300 296 1HD1 LEU 41 1HD1 LEU 41 -1.122 -1.426 -1.426 297 2HD1 LEU 41 2HD1 LEU 41 0.322 -0.620 -0.620 298 3HD1 LEU 41 3HD1 LEU 41 -1.267 0.108 0.108 299 1HD2 LEU 41 1HD2 LEU 41 0.037 -1.281 -1.281 300 2HD2 LEU 41 2HD2 LEU 41 0.931 0.255 0.255 301 3HD2 LEU 41 3HD2 LEU 41 1.320 -0.794 -0.794 302 H CYS 42 H CYS 42 -2.918 0.249 0.249 303 HA CYS 42 HA CYS 42 -0.702 0.010 0.010 304 1HB CYS 42 1HB CYS 42 -3.531 -0.483 -0.483 305 2HB CYS 42 2HB CYS 42 -2.991 0.327 0.327 306 H LEU 43 H LEU 43 -3.373 2.325 2.325 307 HA LEU 43 HA LEU 43 -2.291 4.124 4.124 308 1HB LEU 43 1HB LEU 43 -3.952 4.700 4.700 309 2HB LEU 43 2HB LEU 43 -3.779 5.789 5.789 310 HG LEU 43 HG LEU 43 -5.176 3.095 3.095 311 1HD1 LEU 43 1HD1 LEU 43 -6.348 5.084 5.084 312 2HD1 LEU 43 2HD1 LEU 43 -6.213 5.906 5.906 313 3HD1 LEU 43 3HD1 LEU 43 -7.150 4.399 4.399 314 1HD2 LEU 43 2HD2 LEU 43 -4.574 5.044 5.044 315 2HD2 LEU 43 3HD2 LEU 43 -4.091 3.334 3.334 316 3HD2 LEU 43 1HD2 LEU 43 -5.790 3.753 3.753 317 H ALA 44 H ALA 44 -1.537 3.807 3.807 318 HA ALA 44 HA ALA 44 0.048 6.111 6.111 319 1HB ALA 44 1HB ALA 44 -0.952 4.867 4.867 320 2HB ALA 44 2HB ALA 44 0.398 3.710 3.710 321 3HB ALA 44 1HB ALA 44 0.706 5.421 5.421 322 H ARG 45 H ARG 45 1.049 2.712 2.712 323 HA ARG 45 HA ARG 45 3.857 3.168 3.168 324 1HB ARG 45 1HB ARG 45 2.876 1.220 1.220 325 2HB ARG 45 2HB ARG 45 4.143 1.051 1.051 326 1HG ARG 45 1HG ARG 45 2.245 0.937 0.937 327 2HG ARG 45 2HG ARG 45 1.181 0.923 0.923 328 1HD ARG 45 1HD ARG 45 2.169 -1.284 -1.284 329 2HD ARG 45 2HD ARG 45 2.918 -1.315 -1.315 330 HE ARG 45 HE ARG 45 0.437 -0.641 -0.641 331 1HH1 ARG 45 2HH2 ARG 45 1.383 -3.314 -3.314 332 2HH1 ARG 45 1HH2 ARG 45 -0.282 -3.920 -3.920 333 1HH2 ARG 45 2HH1 ARG 45 -1.744 -1.653 -1.653 334 2HH2 ARG 45 1HH1 ARG 45 -1.851 -3.113 -3.113 335 H ILE 46 H ILE 46 1.291 3.636 3.636 336 HA ILE 46 HA ILE 46 3.113 4.475 4.475 337 HB ILE 46 HB ILE 46 0.103 4.759 4.759 338 1HG1 ILE 46 1HG1 ILE 46 1.585 2.810 2.810 339 2HG1 ILE 46 2HG1 ILE 46 1.184 2.386 2.386 340 1HG2 ILE 46 3HG2 ILE 46 1.885 5.156 5.156 341 2HG2 ILE 46 1HG2 ILE 46 0.111 5.160 5.160 342 3HG2 ILE 46 2HG2 ILE 46 0.974 6.434 6.434 343 1HD1 ILE 46 1HD1 ILE 46 -1.203 2.770 2.770 344 2HD1 ILE 46 2HD1 ILE 46 -0.861 3.131 3.131 345 3HD1 ILE 46 3HD1 ILE 46 -0.511 1.523 1.523 346 H GLU 47 H GLU 47 0.853 6.458 6.458 347 HA GLU 47 HA GLU 47 1.657 8.857 8.857 348 1HB GLU 47 1HB GLU 47 0.563 10.035 10.035 349 2HB GLU 47 2HB GLU 47 -0.364 8.537 8.537 350 1HG GLU 47 1HG GLU 47 1.092 7.545 7.545 351 2HG GLU 47 2HG GLU 47 1.611 9.167 9.167 352 H ASN 48 H ASN 48 2.995 7.129 7.129 353 HA ASN 48 HA ASN 48 4.878 9.251 9.251 354 1HB ASN 48 1HB ASN 48 4.601 6.462 6.462 355 2HB ASN 48 2HB ASN 48 5.666 7.724 7.724 356 1HD2 ASN 48 2HD2 ASN 48 1.712 7.778 7.778 357 2HD2 ASN 48 1HD2 ASN 48 2.341 6.651 6.651 358 H LYS 49 H LYS 49 4.944 6.433 6.433 359 HA LYS 49 HA LYS 49 6.642 5.112 5.112 360 1HB LYS 49 1HB LYS 49 7.948 7.797 7.797 361 2HB LYS 49 2HB LYS 49 8.629 6.307 6.307 362 1HG LYS 49 1HG LYS 49 5.813 7.212 7.212 363 2HG LYS 49 2HG LYS 49 7.257 7.775 7.775 364 1HD LYS 49 1HD LYS 49 6.968 6.132 6.132 365 2HD LYS 49 2HD LYS 49 7.798 5.140 5.140 366 1HE LYS 49 1HE LYS 49 4.742 5.358 5.358 367 2HE LYS 49 2HE LYS 49 5.747 4.170 4.170 368 1HZ LYS 49 1HZ LYS 49 6.522 3.469 3.469 369 2HZ LYS 49 2HZ LYS 49 5.234 4.268 4.268 370 3HZ LYS 49 3HZ LYS 49 5.001 3.049 3.049 371 H GLN 50 H GLN 50 6.550 4.437 4.437 372 HA GLN 50 HA GLN 50 9.318 3.886 3.886 373 1HB GLN 50 1HB GLN 50 7.298 4.952 4.952 374 2HB GLN 50 2HB GLN 50 8.763 4.048 4.048 375 1HG GLN 50 1HG GLN 50 10.133 5.764 5.764 376 2HG GLN 50 2HG GLN 50 8.668 6.722 6.722 377 1HE2 GLN 50 2HE2 GLN 50 8.934 8.267 8.267 378 2HE2 GLN 50 1HE2 GLN 50 8.157 8.235 8.235 379 H ASP 51 H ASP 51 9.391 1.789 1.789 380 HA ASP 51 HA ASP 51 7.186 -0.023 -0.023 381 1HB ASP 51 1HB ASP 51 9.520 -0.809 -0.809 382 2HB ASP 51 2HB ASP 51 9.727 -0.371 -0.371 383 H ILE 52 H ILE 52 5.545 1.320 1.320 384 HA ILE 52 HA ILE 52 5.549 1.233 1.233 385 HB ILE 52 HB ILE 52 3.257 1.862 1.862 386 1HG1 ILE 52 1HG1 ILE 52 5.351 3.515 3.515 387 2HG1 ILE 52 2HG1 ILE 52 5.070 3.456 3.456 388 1HG2 ILE 52 3HG2 ILE 52 2.640 1.052 1.052 389 2HG2 ILE 52 1HG2 ILE 52 3.601 2.385 2.385 390 3HG2 ILE 52 2HG2 ILE 52 2.161 2.707 2.707 391 1HD1 ILE 52 3HD1 ILE 52 2.858 4.521 4.521 392 2HD1 ILE 52 1HD1 ILE 52 3.229 4.699 4.699 393 3HD1 ILE 52 2HD1 ILE 52 4.225 5.526 5.526 394 H GLN 53 H GLN 53 5.936 -0.802 -0.802 395 HA GLN 53 HA GLN 53 4.342 -3.041 -3.041 396 1HB GLN 53 1HB GLN 53 6.976 -2.890 -2.890 397 2HB GLN 53 2HB GLN 53 6.347 -3.374 -3.374 398 1HG GLN 53 1HG GLN 53 5.360 -5.364 -5.364 399 2HG GLN 53 2HG GLN 53 5.699 -4.807 -4.807 400 1HE2 GLN 53 2HE2 GLN 53 9.288 -5.499 -5.499 401 2HE2 GLN 53 1HE2 GLN 53 8.297 -4.132 -4.132 402 H ILE 54 H ILE 54 3.255 -4.446 -4.446 403 HA ILE 54 HA ILE 54 1.997 -2.822 -2.822 404 HB ILE 54 HB ILE 54 1.391 -5.530 -5.530 405 1HG1 ILE 54 1HG1 ILE 54 -0.350 -3.047 -3.047 406 2HG1 ILE 54 2HG1 ILE 54 0.727 -3.272 -3.272 407 1HG2 ILE 54 3HG2 ILE 54 0.176 -4.147 -4.147 408 2HG2 ILE 54 1HG2 ILE 54 -0.583 -5.516 -5.516 409 3HG2 ILE 54 2HG2 ILE 54 0.977 -5.736 -5.736 410 1HD1 ILE 54 3HD1 ILE 54 -0.399 -5.497 -5.497 411 2HD1 ILE 54 1HD1 ILE 54 -1.649 -4.991 -4.991 412 3HD1 ILE 54 2HD1 ILE 54 -1.379 -4.049 -4.049 413 H VAL 55 H VAL 55 2.948 -2.933 -2.933 414 HA VAL 55 HA VAL 55 5.130 -4.809 -4.809 415 HB VAL 55 HB VAL 55 3.612 -2.885 -2.885 416 1HG1 VAL 55 2HG1 VAL 55 4.826 -4.698 -4.698 417 2HG1 VAL 55 3HG1 VAL 55 6.306 -4.299 -4.299 418 3HG1 VAL 55 1HG1 VAL 55 5.574 -3.119 -3.119 419 1HG2 VAL 55 3HG2 VAL 55 6.245 -2.606 -2.606 420 2HG2 VAL 55 1HG2 VAL 55 4.759 -1.681 -1.681 421 3HG2 VAL 55 2HG2 VAL 55 5.636 -1.453 -1.453 422 H LYS 56 H LYS 56 1.718 -4.248 -4.248 423 HA LYS 56 HA LYS 56 1.135 -6.989 -6.989 424 1HB LYS 56 1HB LYS 56 0.536 -7.464 -7.464 425 2HB LYS 56 2HB LYS 56 2.256 -7.146 -7.146 426 1HG LYS 56 1HG LYS 56 0.206 -5.040 -5.040 427 2HG LYS 56 2HG LYS 56 0.846 -6.228 -6.228 428 1HD LYS 56 1HD LYS 56 3.110 -5.347 -5.347 429 2HD LYS 56 2HD LYS 56 2.597 -4.269 -4.269 430 1HE LYS 56 1HE LYS 56 2.803 -3.016 -3.016 431 2HE LYS 56 2HE LYS 56 1.145 -3.015 -3.015 432 1HZ LYS 56 1HZ LYS 56 0.561 -4.673 -4.673 433 2HZ LYS 56 2HZ LYS 56 2.123 -4.699 -4.699 434 3HZ LYS 56 3HZ LYS 56 1.176 -3.368 -3.368 435 H ASP 57 H ASP 57 -1.113 -7.403 -7.403 436 HA ASP 57 HA ASP 57 -2.665 -5.336 -5.336 437 1HB ASP 57 1HB ASP 57 -3.581 -7.942 -7.942 438 2HB ASP 57 2HB ASP 57 -4.476 -6.945 -6.945 439 H GLY 58 H GLY 58 -4.855 -4.627 -4.627 440 1HA GLY 58 1HA GLY 58 -6.138 -3.782 -3.782 441 2HA GLY 58 2HA GLY 58 -5.234 -4.695 -4.695 442 H GLU 59 H GLU 59 -5.802 -2.432 -2.432 443 HA GLU 59 HA GLU 59 -4.199 -0.156 -0.156 444 1HB GLU 59 1HB GLU 59 -5.387 -1.232 -1.232 445 2HB GLU 59 2HB GLU 59 -4.555 0.312 0.312 446 1HG GLU 59 1HG GLU 59 -6.433 0.256 0.256 447 2HG GLU 59 2HG GLU 59 -7.283 -0.344 -0.344 448 H CYS 60 H CYS 60 -2.337 0.628 0.628 449 HA CYS 60 HA CYS 60 -0.264 -1.342 -1.342 450 1HB CYS 60 1HB CYS 60 -0.260 1.519 1.519 451 2HB CYS 60 2HB CYS 60 1.210 0.529 0.529 Start of MODEL 9 1 1H GLU 1 3HN GLU 1 6.541 -17.805 -17.805 2 2H GLU 1 1HN GLU 1 7.105 -17.198 -17.198 3 3H GLU 1 2HN GLU 1 5.647 -17.959 -17.959 4 HA GLU 1 HA GLU 1 4.635 -16.337 -16.337 5 1HB GLU 1 1HB GLU 1 5.323 -14.199 -14.199 6 2HB GLU 1 2HB GLU 1 4.343 -15.544 -15.544 7 1HG GLU 1 1HG GLU 1 5.985 -14.830 -14.830 8 2HG GLU 1 2HG GLU 1 6.195 -16.514 -16.514 9 H LYS 2 H LYS 2 8.101 -15.633 -15.633 10 HA LYS 2 HA LYS 2 7.951 -13.182 -13.182 11 1HB LYS 2 1HB LYS 2 10.367 -13.232 -13.232 12 2HB LYS 2 2HB LYS 2 9.579 -13.703 -13.703 13 1HG LYS 2 1HG LYS 2 10.053 -16.111 -16.111 14 2HG LYS 2 2HG LYS 2 10.872 -15.661 -15.661 15 1HD LYS 2 1HD LYS 2 11.700 -14.898 -14.898 16 2HD LYS 2 2HD LYS 2 12.461 -16.046 -16.046 17 1HE LYS 2 1HE LYS 2 13.837 -14.358 -14.358 18 2HE LYS 2 2HE LYS 2 12.520 -13.927 -13.927 19 1HZ LYS 2 2HZ LYS 2 11.758 -12.319 -12.319 20 2HZ LYS 2 3HZ LYS 2 12.990 -12.740 -12.740 21 3HZ LYS 2 1HZ LYS 2 13.313 -12.075 -12.075 22 H GLN 3 H GLN 3 6.670 -14.030 -14.030 23 HA GLN 3 HA GLN 3 8.341 -14.430 -14.430 24 1HB GLN 3 1HB GLN 3 5.500 -13.457 -13.457 25 2HB GLN 3 2HB GLN 3 6.250 -13.434 -13.434 26 1HG GLN 3 1HG GLN 3 6.110 -16.000 -16.000 27 2HG GLN 3 2HG GLN 3 4.771 -15.409 -15.409 28 1HE2 GLN 3 2HE2 GLN 3 6.165 -17.478 -17.478 29 2HE2 GLN 3 1HE2 GLN 3 5.088 -17.523 -17.523 30 H VAL 4 H VAL 4 6.397 -11.647 -11.647 31 HA VAL 4 HA VAL 4 6.600 -9.461 -9.461 32 HB VAL 4 HB VAL 4 9.117 -10.263 -10.263 33 1HG1 VAL 4 2HG1 VAL 4 8.140 -7.452 -7.452 34 2HG1 VAL 4 3HG1 VAL 4 9.078 -7.740 -7.740 35 3HG1 VAL 4 1HG1 VAL 4 9.798 -8.070 -8.070 36 1HG2 VAL 4 3HG2 VAL 4 7.048 -10.693 -10.693 37 2HG2 VAL 4 1HG2 VAL 4 7.973 -9.414 -9.414 38 3HG2 VAL 4 2HG2 VAL 4 6.552 -9.003 -9.003 39 H PHE 5 H PHE 5 6.679 -10.643 -10.643 40 HA PHE 5 HA PHE 5 8.878 -9.350 -9.350 41 1HB PHE 5 1HB PHE 5 7.640 -12.066 -12.066 42 2HB PHE 5 2HB PHE 5 7.977 -11.120 -11.120 43 HD1 PHE 5 1HD PHE 5 10.278 -10.205 -10.205 44 HD2 PHE 5 1HD PHE 5 9.553 -13.071 -13.071 45 HE1 PHE 5 1HE PHE 5 12.681 -10.751 -10.751 46 HE2 PHE 5 2HE PHE 5 11.950 -13.658 -13.658 47 HZ PHE 5 HZ PHE 5 13.533 -12.493 -12.493 48 H SER 6 H SER 6 8.182 -8.001 -8.001 49 HA SER 6 HA SER 6 5.467 -7.133 -7.133 50 1HB SER 6 1HB SER 6 6.362 -5.822 -5.822 51 2HB SER 6 2HB SER 6 6.896 -5.364 -5.364 52 HG SER 6 HG SER 6 8.308 -6.980 -6.980 53 H ARG 7 H ARG 7 4.012 -7.093 -7.093 54 HA ARG 7 HA ARG 7 4.014 -9.456 -9.456 55 1HB ARG 7 1HB ARG 7 1.550 -9.540 -9.540 56 2HB ARG 7 2HB ARG 7 2.509 -9.887 -9.887 57 1HG ARG 7 1HG ARG 7 2.149 -7.317 -7.317 58 2HG ARG 7 2HG ARG 7 0.842 -7.430 -7.430 59 1HD ARG 7 1HD ARG 7 1.037 -9.320 -9.320 60 2HD ARG 7 2HD ARG 7 0.445 -7.690 -7.690 61 HE ARG 7 HE ARG 7 -1.532 -8.151 -8.151 62 1HH1 ARG 7 2HH2 ARG 7 0.561 -10.984 -10.984 63 2HH1 ARG 7 1HH2 ARG 7 -0.649 -11.887 -11.887 64 1HH2 ARG 7 2HH1 ARG 7 -3.143 -9.380 -9.380 65 2HH2 ARG 7 1HH1 ARG 7 -2.930 -11.003 -11.003 66 H MET 8 H MET 8 3.350 -8.799 -8.799 67 HA MET 8 HA MET 8 3.224 -5.839 -5.839 68 1HB MET 8 1HB MET 8 3.590 -6.067 -6.067 69 2HB MET 8 2HB MET 8 4.878 -6.855 -6.855 70 1HG MET 8 1HG MET 8 4.220 -8.985 -8.985 71 2HG MET 8 2HG MET 8 2.570 -8.487 -8.487 72 1HE MET 8 2HE MET 8 6.302 -8.213 -8.213 73 2HE MET 8 3HE MET 8 6.156 -7.307 -7.307 74 3HE MET 8 1HE MET 8 5.780 -6.504 -6.504 75 HA PRO 9 HA PRO 9 -1.146 -6.199 -6.199 76 1HB PRO 9 1HB PRO 9 -1.412 -3.943 -3.943 77 2HB PRO 9 2HB PRO 9 -1.422 -3.977 -3.977 78 1HG PRO 9 1HG PRO 9 0.831 -3.080 -3.080 79 2HG PRO 9 2HG PRO 9 0.306 -2.487 -2.487 80 1HD PRO 9 1HD PRO 9 2.419 -4.253 -4.253 81 2HD PRO 9 2HD PRO 9 1.523 -4.121 -4.121 82 H ILE 10 H ILE 10 -1.562 -7.503 -7.503 83 HA ILE 10 HA ILE 10 0.383 -7.794 -7.794 84 HB ILE 10 HB ILE 10 -2.186 -9.254 -9.254 85 1HG1 ILE 10 1HG1 ILE 10 0.745 -10.148 -10.148 86 2HG1 ILE 10 2HG1 ILE 10 -0.083 -9.485 -9.485 87 1HG2 ILE 10 1HG2 ILE 10 -1.719 -9.344 -9.344 88 2HG2 ILE 10 2HG2 ILE 10 -0.089 -9.940 -9.940 89 3HG2 ILE 10 3HG2 ILE 10 -1.528 -10.901 -10.901 90 1HD1 ILE 10 1HD1 ILE 10 -1.766 -11.305 -11.305 91 2HD1 ILE 10 2HD1 ILE 10 -0.833 -12.059 -12.059 92 3HD1 ILE 10 3HD1 ILE 10 -0.108 -11.863 -11.863 93 H CYS 11 H CYS 11 0.152 -5.573 -5.573 94 HA CYS 11 HA CYS 11 -2.268 -4.470 -4.470 95 1HB CYS 11 1HB CYS 11 0.606 -3.671 -3.671 96 2HB CYS 11 2HB CYS 11 -0.844 -2.711 -2.711 97 H GLU 12 H GLU 12 -3.142 -4.808 -4.808 98 HA GLU 12 HA GLU 12 -2.060 -6.643 -6.643 99 1HB GLU 12 1HB GLU 12 -4.465 -4.854 -4.854 100 2HB GLU 12 2HB GLU 12 -3.997 -5.355 -5.355 101 1HG GLU 12 1HG GLU 12 -4.178 -7.464 -7.464 102 2HG GLU 12 2HG GLU 12 -5.669 -6.791 -6.791 103 H HIS 13 H HIS 13 -2.871 -3.124 -3.124 104 HA HIS 13 HA HIS 13 -0.242 -2.586 -2.586 105 1HB HIS 13 1HB HIS 13 -1.634 -3.646 -3.646 106 2HB HIS 13 2HB HIS 13 -2.743 -2.279 -2.279 107 HD1 HIS 13 HD1 HIS 13 -2.032 -0.186 -0.186 108 HD2 HIS 13 HD2 HIS 13 1.004 -3.047 -3.047 109 HE1 HIS 13 HE1 HIS 13 -0.045 0.500 0.500 110 HE2 HIS 13 HE2 HIS 13 1.807 -1.254 -1.254 111 H MET 14 H MET 14 0.099 -0.331 -0.331 112 HA MET 14 HA MET 14 -0.970 1.136 1.136 113 1HB MET 14 1HB MET 14 0.855 1.955 1.955 114 2HB MET 14 2HB MET 14 0.662 2.845 2.845 115 1HG MET 14 1HG MET 14 1.846 0.058 0.058 116 2HG MET 14 2HG MET 14 2.699 1.561 1.561 117 1HE MET 14 3HE MET 14 3.540 -0.666 -0.666 118 2HE MET 14 1HE MET 14 4.022 0.985 0.985 119 3HE MET 14 2HE MET 14 3.423 -0.129 -0.129 120 H THR 15 H THR 15 -2.985 0.700 0.700 121 HA THR 15 HA THR 15 -3.872 3.522 3.522 122 HB THR 15 HB THR 15 -4.700 2.576 2.576 123 HG1 THR 15 HG1 THR 15 -3.700 0.961 0.961 124 1HG2 THR 15 3HG2 THR 15 -3.072 4.445 4.445 125 2HG2 THR 15 1HG2 THR 15 -1.750 3.269 3.269 126 3HG2 THR 15 2HG2 THR 15 -2.638 3.406 3.406 127 H GLU 16 H GLU 16 -5.401 3.233 3.233 128 HA GLU 16 HA GLU 16 -7.448 1.118 1.118 129 1HB GLU 16 1HB GLU 16 -7.068 3.384 3.384 130 2HB GLU 16 2HB GLU 16 -8.400 2.231 2.231 131 1HG GLU 16 1HG GLU 16 -6.595 0.385 0.385 132 2HG GLU 16 2HG GLU 16 -5.448 1.691 1.691 133 H SER 17 H SER 17 -8.960 1.545 1.545 134 HA SER 17 HA SER 17 -9.491 4.230 4.230 135 1HB SER 17 1HB SER 17 -11.195 1.747 1.747 136 2HB SER 17 2HB SER 17 -11.377 3.319 3.319 137 HG SER 17 HG SER 17 -10.142 1.976 1.976 138 HA PRO 18 HA PRO 18 -13.273 4.278 4.278 139 1HB PRO 18 1HB PRO 18 -13.990 2.349 2.349 140 2HB PRO 18 2HB PRO 18 -14.091 2.051 2.051 141 1HG PRO 18 1HG PRO 18 -11.853 1.240 1.240 142 2HG PRO 18 2HG PRO 18 -12.709 0.204 0.204 143 1HD PRO 18 1HD PRO 18 -10.326 1.503 1.503 144 2HD PRO 18 2HD PRO 18 -11.496 1.088 1.088 145 H ASP 19 H ASP 19 -13.801 4.798 4.798 146 HA ASP 19 HA ASP 19 -11.584 5.491 5.491 147 1HB ASP 19 1HB ASP 19 -13.633 6.823 6.823 148 2HB ASP 19 2HB ASP 19 -14.620 5.374 5.374 149 H CYS 20 H CYS 20 -11.635 4.433 4.433 150 HA CYS 20 HA CYS 20 -11.055 1.622 1.622 151 1HB CYS 20 1HB CYS 20 -11.478 3.428 3.428 152 2HB CYS 20 2HB CYS 20 -11.054 1.722 1.722 153 H SER 21 H SER 21 -12.279 -0.201 -0.201 154 HA SER 21 HA SER 21 -15.133 0.145 0.145 155 1HB SER 21 1HB SER 21 -13.718 -2.362 -2.362 156 2HB SER 21 2HB SER 21 -15.227 -2.206 -2.206 157 HG SER 21 HG SER 21 -13.813 -2.764 -2.764 158 H ARG 22 H ARG 22 -14.102 1.698 1.698 159 HA ARG 22 HA ARG 22 -14.134 2.153 2.153 160 1HB ARG 22 1HB ARG 22 -16.875 1.065 1.065 161 2HB ARG 22 2HB ARG 22 -16.581 1.955 1.955 162 1HG ARG 22 1HG ARG 22 -15.961 3.914 3.914 163 2HG ARG 22 2HG ARG 22 -15.621 3.165 3.165 164 1HD ARG 22 1HD ARG 22 -18.009 2.801 2.801 165 2HD ARG 22 2HD ARG 22 -18.410 3.344 3.344 166 HE ARG 22 HE ARG 22 -18.174 5.514 5.514 167 1HH1 ARG 22 2HH2 ARG 22 -16.614 3.552 3.552 168 2HH1 ARG 22 1HH2 ARG 22 -15.752 4.945 4.945 169 1HH2 ARG 22 2HH1 ARG 22 -17.072 7.355 7.355 170 2HH2 ARG 22 1HH1 ARG 22 -16.006 6.932 6.932 171 H ILE 23 H ILE 23 -12.785 -0.305 -0.305 172 HA ILE 23 HA ILE 23 -13.686 -2.166 -2.166 173 HB ILE 23 HB ILE 23 -10.941 -1.691 -1.691 174 1HG1 ILE 23 1HG1 ILE 23 -12.554 -1.953 -1.953 175 2HG1 ILE 23 2HG1 ILE 23 -11.507 -3.312 -3.312 176 1HG2 ILE 23 1HG2 ILE 23 -12.183 -4.127 -4.127 177 2HG2 ILE 23 2HG2 ILE 23 -10.628 -4.116 -4.116 178 3HG2 ILE 23 3HG2 ILE 23 -10.858 -3.122 -3.122 179 1HD1 ILE 23 2HD1 ILE 23 -13.332 -4.598 -4.598 180 2HD1 ILE 23 3HD1 ILE 23 -14.402 -3.190 -3.190 181 3HD1 ILE 23 1HD1 ILE 23 -13.849 -4.022 -4.022 182 H TYR 24 H TYR 24 -13.487 -2.023 -2.023 183 HA TYR 24 HA TYR 24 -11.626 -0.032 -0.032 184 1HB TYR 24 1HB TYR 24 -14.139 0.535 0.535 185 2HB TYR 24 2HB TYR 24 -14.330 -0.758 -0.758 186 HD1 TYR 24 HD1 TYR 24 -12.583 2.438 2.438 187 HD2 TYR 24 HD2 TYR 24 -13.705 -0.336 -0.336 188 HE1 TYR 24 HE1 TYR 24 -11.603 3.936 3.936 189 HE2 TYR 24 HE2 TYR 24 -12.694 1.159 1.159 190 HH TYR 24 HH TYR 24 -10.915 4.125 4.125 191 H ASP 25 H ASP 25 -10.155 -1.806 -1.806 192 HA ASP 25 HA ASP 25 -10.277 -3.765 -3.765 193 1HB ASP 25 1HB ASP 25 -11.207 -5.107 -5.107 194 2HB ASP 25 2HB ASP 25 -10.128 -4.455 -4.455 195 HA PRO 26 HA PRO 26 -6.800 -1.071 -1.071 196 1HB PRO 26 1HB PRO 26 -5.917 -0.391 -0.391 197 2HB PRO 26 2HB PRO 26 -7.338 0.321 0.321 198 1HG PRO 26 1HG PRO 26 -7.324 -1.956 -1.956 199 2HG PRO 26 2HG PRO 26 -8.354 -0.511 -0.511 200 1HD PRO 26 1HD PRO 26 -9.195 -2.899 -2.899 201 2HD PRO 26 2HD PRO 26 -9.632 -1.362 -1.362 202 H VAL 27 H VAL 27 -4.498 -0.792 -0.792 203 HA VAL 27 HA VAL 27 -3.026 -3.138 -3.138 204 HB VAL 27 HB VAL 27 -1.772 -3.205 -3.205 205 1HG1 VAL 27 1HG1 VAL 27 -3.558 -4.890 -4.890 206 2HG1 VAL 27 2HG1 VAL 27 -4.715 -3.879 -3.879 207 3HG1 VAL 27 3HG1 VAL 27 -3.337 -4.588 -4.588 208 1HG2 VAL 27 2HG2 VAL 27 -2.442 -0.991 -0.991 209 2HG2 VAL 27 3HG2 VAL 27 -2.764 -2.282 -2.282 210 3HG2 VAL 27 1HG2 VAL 27 -4.099 -1.578 -1.578 211 H CYS 28 H CYS 28 -0.834 -2.584 -2.584 212 HA CYS 28 HA CYS 28 -0.327 0.328 0.328 213 1HB CYS 28 1HB CYS 28 -0.236 -1.090 -1.090 214 2HB CYS 28 2HB CYS 28 0.892 -2.187 -2.187 215 H GLY 29 H GLY 29 0.945 1.250 1.250 216 1HA GLY 29 1HA GLY 29 2.556 -0.348 -0.348 217 2HA GLY 29 2HA GLY 29 2.422 1.405 1.405 218 H THR 30 H THR 30 4.901 -0.089 -0.089 219 HA THR 30 HA THR 30 6.565 -0.059 -0.059 220 HB THR 30 HB THR 30 8.351 0.188 0.188 221 HG1 THR 30 HG1 THR 30 7.034 0.943 0.943 222 1HG2 THR 30 1HG2 THR 30 6.438 -2.177 -2.177 223 2HG2 THR 30 2HG2 THR 30 8.025 -2.174 -2.174 224 3HG2 THR 30 3HG2 THR 30 7.921 -1.940 -1.940 225 H ASP 31 H ASP 31 5.217 2.542 2.542 226 HA ASP 31 HA ASP 31 7.190 4.554 4.554 227 1HB ASP 31 1HB ASP 31 5.485 6.068 6.068 228 2HB ASP 31 2HB ASP 31 5.952 4.809 4.809 229 H GLY 32 H GLY 32 4.573 2.858 2.858 230 1HA GLY 32 1HA GLY 32 4.006 3.051 3.051 231 2HA GLY 32 2HA GLY 32 4.627 4.706 4.706 232 H VAL 33 H VAL 33 2.874 4.515 4.515 233 HA VAL 33 HA VAL 33 0.670 6.024 6.024 234 HB VAL 33 HB VAL 33 1.276 5.215 5.215 235 1HG1 VAL 33 1HG1 VAL 33 -0.950 6.936 6.936 236 2HG1 VAL 33 2HG1 VAL 33 -0.475 6.937 6.937 237 3HG1 VAL 33 3HG1 VAL 33 -1.111 5.463 5.463 238 1HG2 VAL 33 1HG2 VAL 33 2.865 6.893 6.893 239 2HG2 VAL 33 2HG2 VAL 33 1.793 7.583 7.583 240 3HG2 VAL 33 3HG2 VAL 33 1.504 7.929 7.929 241 H THR 34 H THR 34 -1.315 5.136 5.136 242 HA THR 34 HA THR 34 -1.715 2.224 2.224 243 HB THR 34 HB THR 34 -3.361 4.293 4.293 244 HG1 THR 34 HG1 THR 34 -1.473 3.465 3.465 245 1HG2 THR 34 2HG2 THR 34 -3.959 1.395 1.395 246 2HG2 THR 34 3HG2 THR 34 -4.794 2.324 2.324 247 3HG2 THR 34 1HG2 THR 34 -4.920 2.823 2.823 248 H TYR 35 H TYR 35 -2.915 1.597 1.597 249 HA TYR 35 HA TYR 35 -4.384 3.668 3.668 250 1HB TYR 35 1HB TYR 35 -3.075 1.081 1.081 251 2HB TYR 35 2HB TYR 35 -4.088 2.122 2.122 252 HD1 TYR 35 HD1 TYR 35 -3.333 4.347 4.347 253 HD2 TYR 35 HD2 TYR 35 -0.800 1.859 1.859 254 HE1 TYR 35 HE1 TYR 35 -1.436 5.855 5.855 255 HE2 TYR 35 HE2 TYR 35 1.143 3.278 3.278 256 HH TYR 35 HH TYR 35 1.832 5.225 5.225 257 H GLU 36 H GLU 36 -6.472 3.193 3.193 258 HA GLU 36 HA GLU 36 -7.912 1.490 1.490 259 1HB GLU 36 1HB GLU 36 -8.791 2.825 2.825 260 2HB GLU 36 2HB GLU 36 -9.843 2.232 2.232 261 1HG GLU 36 1HG GLU 36 -8.743 3.853 3.853 262 2HG GLU 36 2HG GLU 36 -7.845 4.553 4.553 263 H SER 37 H SER 37 -6.379 0.874 0.874 264 HA SER 37 HA SER 37 -7.065 -1.860 -1.860 265 1HB SER 37 1HB SER 37 -9.240 -1.156 -1.156 266 2HB SER 37 2HB SER 37 -8.488 -0.001 -0.001 267 HG SER 37 HG SER 37 -8.465 -2.821 -2.821 268 H GLU 38 H GLU 38 -5.988 -2.967 -2.967 269 HA GLU 38 HA GLU 38 -3.541 -1.880 -1.880 270 1HB GLU 38 1HB GLU 38 -5.220 -4.048 -4.048 271 2HB GLU 38 2HB GLU 38 -3.536 -3.697 -3.697 272 1HG GLU 38 1HG GLU 38 -3.270 -5.416 -5.416 273 2HG GLU 38 2HG GLU 38 -3.349 -4.105 -4.105 274 H CYS 39 H CYS 39 -6.869 -1.308 -1.308 275 HA CYS 39 HA CYS 39 -6.197 -0.561 -0.561 276 1HB CYS 39 1HB CYS 39 -8.527 -0.743 -0.743 277 2HB CYS 39 2HB CYS 39 -8.363 0.604 0.604 278 H LYS 40 H LYS 40 -6.730 1.648 1.648 279 HA LYS 40 HA LYS 40 -5.516 3.904 3.904 280 1HB LYS 40 1HB LYS 40 -5.975 3.394 3.394 281 2HB LYS 40 2HB LYS 40 -5.471 4.918 4.918 282 1HG LYS 40 1HG LYS 40 -7.624 4.678 4.678 283 2HG LYS 40 2HG LYS 40 -8.163 3.536 3.536 284 1HD LYS 40 1HD LYS 40 -7.613 5.430 5.430 285 2HD LYS 40 2HD LYS 40 -7.234 6.422 6.422 286 1HE LYS 40 1HE LYS 40 -9.361 7.119 7.119 287 2HE LYS 40 2HE LYS 40 -9.644 6.038 6.038 288 1HZ LYS 40 2HZ LYS 40 -9.949 5.287 5.287 289 2HZ LYS 40 3HZ LYS 40 -11.164 5.767 5.767 290 3HZ LYS 40 1HZ LYS 40 -10.397 4.347 4.347 291 H LEU 41 H LEU 41 -4.067 1.226 1.226 292 HA LEU 41 HA LEU 41 -1.613 2.735 2.735 293 1HB LEU 41 1HB LEU 41 -2.446 0.724 0.724 294 2HB LEU 41 2HB LEU 41 -1.899 -0.275 -0.275 295 HG LEU 41 HG LEU 41 -0.138 1.697 1.697 296 1HD1 LEU 41 1HD1 LEU 41 -0.951 -0.134 -0.134 297 2HD1 LEU 41 2HD1 LEU 41 -0.300 -1.297 -1.297 298 3HD1 LEU 41 3HD1 LEU 41 0.794 -0.226 -0.226 299 1HD2 LEU 41 3HD2 LEU 41 0.627 -0.404 -0.404 300 2HD2 LEU 41 1HD2 LEU 41 0.948 1.347 1.347 301 3HD2 LEU 41 2HD2 LEU 41 1.748 0.373 0.373 302 H CYS 42 H CYS 42 -2.781 0.290 0.290 303 HA CYS 42 HA CYS 42 -0.474 0.163 0.163 304 1HB CYS 42 1HB CYS 42 -3.390 -0.155 -0.155 305 2HB CYS 42 2HB CYS 42 -2.116 -0.247 -0.247 306 H LEU 43 H LEU 43 -3.272 2.383 2.383 307 HA LEU 43 HA LEU 43 -2.319 4.172 4.172 308 1HB LEU 43 1HB LEU 43 -3.971 4.546 4.546 309 2HB LEU 43 2HB LEU 43 -3.756 5.851 5.851 310 HG LEU 43 HG LEU 43 -5.157 3.207 3.207 311 1HD1 LEU 43 1HD1 LEU 43 -6.345 5.058 5.058 312 2HD1 LEU 43 2HD1 LEU 43 -6.232 6.047 6.047 313 3HD1 LEU 43 3HD1 LEU 43 -7.140 4.524 4.524 314 1HD2 LEU 43 2HD2 LEU 43 -4.440 5.479 5.479 315 2HD2 LEU 43 3HD2 LEU 43 -4.089 3.738 3.738 316 3HD2 LEU 43 1HD2 LEU 43 -5.745 4.322 4.322 317 H ALA 44 H ALA 44 -1.740 4.381 4.381 318 HA ALA 44 HA ALA 44 -0.189 6.714 6.714 319 1HB ALA 44 2HB ALA 44 -1.099 5.829 5.829 320 2HB ALA 44 1HB ALA 44 0.017 4.437 4.437 321 3HB ALA 44 1HB ALA 44 0.652 6.074 6.074 322 H ARG 45 H ARG 45 0.850 3.334 3.334 323 HA ARG 45 HA ARG 45 3.666 3.745 3.745 324 1HB ARG 45 1HB ARG 45 2.012 1.956 1.956 325 2HB ARG 45 2HB ARG 45 3.773 1.931 1.931 326 1HG ARG 45 1HG ARG 45 3.816 1.238 1.238 327 2HG ARG 45 2HG ARG 45 2.100 1.569 1.569 328 1HD ARG 45 1HD ARG 45 2.323 -0.861 -0.861 329 2HD ARG 45 2HD ARG 45 1.530 -0.129 -0.129 330 HE ARG 45 HE ARG 45 3.152 -0.482 -0.482 331 1HH1 ARG 45 2HH2 ARG 45 4.219 -1.795 -1.795 332 2HH1 ARG 45 1HH2 ARG 45 5.352 -2.828 -2.828 333 1HH2 ARG 45 2HH1 ARG 45 4.415 -2.252 -2.252 334 2HH2 ARG 45 1HH1 ARG 45 5.270 -3.280 -3.280 335 H ILE 46 H ILE 46 1.281 4.587 4.587 336 HA ILE 46 HA ILE 46 3.294 5.239 5.239 337 HB ILE 46 HB ILE 46 0.370 6.082 6.082 338 1HG1 ILE 46 1HG1 ILE 46 1.515 3.655 3.655 339 2HG1 ILE 46 2HG1 ILE 46 0.769 3.526 3.526 340 1HG2 ILE 46 3HG2 ILE 46 2.384 5.893 5.893 341 2HG2 ILE 46 1HG2 ILE 46 0.657 6.226 6.226 342 3HG2 ILE 46 2HG2 ILE 46 1.665 7.363 7.363 343 1HD1 ILE 46 1HD1 ILE 46 -1.310 4.600 4.600 344 2HD1 ILE 46 2HD1 ILE 46 -0.593 4.432 4.432 345 3HD1 ILE 46 3HD1 ILE 46 -0.938 2.991 2.991 346 H GLU 47 H GLU 47 1.120 7.058 7.058 347 HA GLU 47 HA GLU 47 1.969 9.625 9.625 348 1HB GLU 47 1HB GLU 47 0.899 8.676 8.676 349 2HB GLU 47 2HB GLU 47 0.967 10.351 10.351 350 1HG GLU 47 1HG GLU 47 -0.640 8.130 8.130 351 2HG GLU 47 2HG GLU 47 -1.300 9.339 9.339 352 H ASN 48 H ASN 48 3.185 7.572 7.572 353 HA ASN 48 HA ASN 48 5.346 9.361 9.361 354 1HB ASN 48 1HB ASN 48 4.406 6.648 6.648 355 2HB ASN 48 2HB ASN 48 6.147 6.806 6.806 356 1HD2 ASN 48 2HD2 ASN 48 4.065 8.817 8.817 357 2HD2 ASN 48 1HD2 ASN 48 3.208 8.328 8.328 358 H LYS 49 H LYS 49 4.961 6.716 6.716 359 HA LYS 49 HA LYS 49 6.038 6.055 6.055 360 1HB LYS 49 1HB LYS 49 8.424 7.823 7.823 361 2HB LYS 49 2HB LYS 49 8.014 6.982 6.982 362 1HG LYS 49 1HG LYS 49 5.925 8.412 8.412 363 2HG LYS 49 2HG LYS 49 6.498 9.329 9.329 364 1HD LYS 49 1HD LYS 49 7.369 10.656 10.656 365 2HD LYS 49 2HD LYS 49 8.731 9.579 9.579 366 1HE LYS 49 1HE LYS 49 8.551 9.577 9.577 367 2HE LYS 49 2HE LYS 49 7.759 8.071 8.071 368 1HZ LYS 49 1HZ LYS 49 5.613 9.360 9.360 369 2HZ LYS 49 2HZ LYS 49 6.441 10.600 10.600 370 3HZ LYS 49 3HZ LYS 49 6.409 9.146 9.146 371 H GLN 50 H GLN 50 6.277 5.072 5.072 372 HA GLN 50 HA GLN 50 8.902 3.625 3.625 373 1HB GLN 50 1HB GLN 50 7.324 4.611 4.611 374 2HB GLN 50 2HB GLN 50 8.468 3.268 3.268 375 1HG GLN 50 1HG GLN 50 9.686 5.145 5.145 376 2HG GLN 50 2HG GLN 50 10.252 4.740 4.740 377 1HE2 GLN 50 2HE2 GLN 50 9.072 7.864 7.864 378 2HE2 GLN 50 1HE2 GLN 50 10.032 6.400 6.400 379 H ASP 51 H ASP 51 8.926 1.467 1.467 380 HA ASP 51 HA ASP 51 6.465 -0.104 -0.104 381 1HB ASP 51 1HB ASP 51 8.586 -0.669 -0.669 382 2HB ASP 51 2HB ASP 51 9.383 -0.918 -0.918 383 H ILE 52 H ILE 52 5.592 0.946 0.946 384 HA ILE 52 HA ILE 52 6.873 0.624 0.624 385 HB ILE 52 HB ILE 52 3.994 1.226 1.226 386 1HG1 ILE 52 1HG1 ILE 52 6.177 3.120 3.120 387 2HG1 ILE 52 2HG1 ILE 52 5.722 2.917 2.917 388 1HG2 ILE 52 2HG2 ILE 52 4.075 0.345 0.345 389 2HG2 ILE 52 3HG2 ILE 52 5.214 1.642 1.642 390 3HG2 ILE 52 1HG2 ILE 52 3.559 2.012 2.012 391 1HD1 ILE 52 1HD1 ILE 52 3.385 3.635 3.635 392 2HD1 ILE 52 2HD1 ILE 52 3.963 4.053 4.053 393 3HD1 ILE 52 3HD1 ILE 52 4.631 4.876 4.876 394 H GLN 53 H GLN 53 6.263 -1.060 -1.060 395 HA GLN 53 HA GLN 53 4.648 -3.320 -3.320 396 1HB GLN 53 1HB GLN 53 7.306 -3.583 -3.583 397 2HB GLN 53 2HB GLN 53 6.641 -3.919 -3.919 398 1HG GLN 53 1HG GLN 53 5.327 -5.762 -5.762 399 2HG GLN 53 2HG GLN 53 5.523 -5.253 -5.253 400 1HE2 GLN 53 2HE2 GLN 53 8.945 -6.369 -6.369 401 2HE2 GLN 53 1HE2 GLN 53 7.818 -5.095 -5.095 402 H ILE 54 H ILE 54 3.516 -4.568 -4.568 403 HA ILE 54 HA ILE 54 2.534 -2.649 -2.649 404 HB ILE 54 HB ILE 54 1.464 -5.236 -5.236 405 1HG1 ILE 54 1HG1 ILE 54 0.056 -2.574 -2.574 406 2HG1 ILE 54 2HG1 ILE 54 1.227 -2.858 -2.858 407 1HG2 ILE 54 1HG2 ILE 54 0.391 -3.661 -3.661 408 2HG2 ILE 54 2HG2 ILE 54 -0.421 -5.028 -5.028 409 3HG2 ILE 54 3HG2 ILE 54 1.081 -5.296 -5.296 410 1HD1 ILE 54 2HD1 ILE 54 0.017 -4.842 -4.842 411 2HD1 ILE 54 3HD1 ILE 54 -1.248 -4.531 -4.531 412 3HD1 ILE 54 1HD1 ILE 54 -0.951 -3.369 -3.369 413 H VAL 55 H VAL 55 3.359 -2.826 -2.826 414 HA VAL 55 HA VAL 55 5.323 -4.880 -4.880 415 HB VAL 55 HB VAL 55 3.952 -2.697 -2.697 416 1HG1 VAL 55 1HG1 VAL 55 6.380 -4.435 -4.435 417 2HG1 VAL 55 2HG1 VAL 55 5.800 -3.040 -3.040 418 3HG1 VAL 55 3HG1 VAL 55 4.804 -4.480 -4.480 419 1HG2 VAL 55 1HG2 VAL 55 6.639 -2.852 -2.852 420 2HG2 VAL 55 2HG2 VAL 55 5.277 -1.763 -1.763 421 3HG2 VAL 55 3HG2 VAL 55 6.184 -1.582 -1.582 422 H LYS 56 H LYS 56 1.904 -4.107 -4.107 423 HA LYS 56 HA LYS 56 1.424 -6.865 -6.865 424 1HB LYS 56 1HB LYS 56 0.728 -6.602 -6.602 425 2HB LYS 56 2HB LYS 56 2.356 -5.955 -5.955 426 1HG LYS 56 1HG LYS 56 1.553 -3.660 -3.660 427 2HG LYS 56 2HG LYS 56 -0.129 -4.171 -4.171 428 1HD LYS 56 1HD LYS 56 0.338 -5.671 -5.671 429 2HD LYS 56 2HD LYS 56 1.710 -4.596 -4.596 430 1HE LYS 56 1HE LYS 56 -0.048 -3.795 -3.795 431 2HE LYS 56 2HE LYS 56 0.098 -2.641 -2.641 432 1HZ LYS 56 3HZ LYS 56 -1.921 -4.849 -4.849 433 2HZ LYS 56 1HZ LYS 56 -2.139 -3.483 -3.483 434 3HZ LYS 56 2HZ LYS 56 -1.910 -3.397 -3.397 435 H ASP 57 H ASP 57 -0.783 -7.363 -7.363 436 HA ASP 57 HA ASP 57 -2.634 -5.782 -5.782 437 1HB ASP 57 1HB ASP 57 -3.369 -7.706 -7.706 438 2HB ASP 57 2HB ASP 57 -4.240 -7.310 -7.310 439 H GLY 58 H GLY 58 -4.481 -4.598 -4.598 440 1HA GLY 58 1HA GLY 58 -5.662 -3.356 -3.356 441 2HA GLY 58 2HA GLY 58 -4.858 -4.103 -4.103 442 H GLU 59 H GLU 59 -5.356 -1.447 -1.447 443 HA GLU 59 HA GLU 59 -3.497 0.305 0.305 444 1HB GLU 59 1HB GLU 59 -4.497 0.698 0.698 445 2HB GLU 59 2HB GLU 59 -4.149 1.901 1.901 446 1HG GLU 59 1HG GLU 59 -6.429 1.930 1.930 447 2HG GLU 59 2HG GLU 59 -6.190 0.546 0.546 448 H CYS 60 H CYS 60 -1.690 1.391 1.391 449 HA CYS 60 HA CYS 60 0.325 -0.364 -0.364 450 1HB CYS 60 1HB CYS 60 0.257 2.676 2.676 451 2HB CYS 60 2HB CYS 60 1.656 1.666 1.666 Start of MODEL 10 1 1H GLU 1 3HN GLU 1 12.992 -16.808 -16.808 2 2H GLU 1 1HN GLU 1 13.798 -18.107 -18.107 3 3H GLU 1 2HN GLU 1 14.624 -16.754 -16.754 4 HA GLU 1 HA GLU 1 15.126 -17.761 -17.761 5 1HB GLU 1 1HB GLU 1 14.053 -19.774 -19.774 6 2HB GLU 1 2HB GLU 1 14.333 -19.877 -19.877 7 1HG GLU 1 1HG GLU 1 11.937 -19.266 -19.266 8 2HG GLU 1 2HG GLU 1 11.631 -19.222 -19.222 9 H LYS 2 H LYS 2 13.404 -18.407 -18.407 10 HA LYS 2 HA LYS 2 12.623 -15.668 -15.668 11 1HB LYS 2 1HB LYS 2 13.845 -17.206 -17.206 12 2HB LYS 2 2HB LYS 2 12.387 -18.186 -18.186 13 1HG LYS 2 1HG LYS 2 12.438 -15.190 -15.190 14 2HG LYS 2 2HG LYS 2 12.946 -16.400 -16.400 15 1HD LYS 2 1HD LYS 2 10.751 -17.419 -17.419 16 2HD LYS 2 2HD LYS 2 10.164 -16.436 -16.436 17 1HE LYS 2 1HE LYS 2 9.270 -15.480 -15.480 18 2HE LYS 2 2HE LYS 2 10.473 -14.358 -14.358 19 1HZ LYS 2 1HZ LYS 2 10.858 -16.165 -16.165 20 2HZ LYS 2 2HZ LYS 2 10.578 -14.561 -14.561 21 3HZ LYS 2 3HZ LYS 2 12.000 -15.102 -15.102 22 H GLN 3 H GLN 3 10.916 -15.227 -15.227 23 HA GLN 3 HA GLN 3 8.464 -16.125 -16.125 24 1HB GLN 3 1HB GLN 3 8.779 -17.672 -17.672 25 2HB GLN 3 2HB GLN 3 8.495 -16.304 -16.304 26 1HG GLN 3 1HG GLN 3 6.223 -16.133 -16.133 27 2HG GLN 3 2HG GLN 3 6.527 -16.897 -16.897 28 1HE2 GLN 3 2HE2 GLN 3 5.077 -19.853 -19.853 29 2HE2 GLN 3 1HE2 GLN 3 4.872 -18.496 -18.496 30 H VAL 4 H VAL 4 10.228 -13.730 -13.730 31 HA VAL 4 HA VAL 4 8.236 -11.642 -11.642 32 HB VAL 4 HB VAL 4 11.292 -11.606 -11.606 33 1HG1 VAL 4 1HG1 VAL 4 9.323 -9.279 -9.279 34 2HG1 VAL 4 2HG1 VAL 4 11.057 -9.158 -9.158 35 3HG1 VAL 4 3HG1 VAL 4 10.529 -9.587 -9.587 36 1HG2 VAL 4 3HG2 VAL 4 10.139 -12.309 -12.309 37 2HG2 VAL 4 1HG2 VAL 4 11.007 -10.767 -10.767 38 3HG2 VAL 4 2HG2 VAL 4 9.237 -10.777 -10.777 39 H PHE 5 H PHE 5 7.496 -10.932 -10.932 40 HA PHE 5 HA PHE 5 9.427 -10.103 -10.103 41 1HB PHE 5 1HB PHE 5 8.339 -11.272 -11.272 42 2HB PHE 5 2HB PHE 5 9.480 -12.204 -12.204 43 HD1 PHE 5 1HD PHE 5 5.899 -11.773 -11.773 44 HD2 PHE 5 1HD PHE 5 8.703 -14.122 -14.122 45 HE1 PHE 5 2HE PHE 5 4.197 -13.538 -13.538 46 HE2 PHE 5 1HE PHE 5 7.021 -15.940 -15.940 47 HZ PHE 5 HZ PHE 5 4.758 -15.630 -15.630 48 H SER 6 H SER 6 8.537 -8.416 -8.416 49 HA SER 6 HA SER 6 5.914 -7.436 -7.436 50 1HB SER 6 1HB SER 6 6.526 -5.905 -5.905 51 2HB SER 6 2HB SER 6 7.373 -5.708 -5.708 52 HG SER 6 HG SER 6 8.304 -7.273 -7.273 53 H ARG 7 H ARG 7 4.350 -6.930 -6.930 54 HA ARG 7 HA ARG 7 4.295 -9.187 -9.187 55 1HB ARG 7 1HB ARG 7 1.659 -8.558 -8.558 56 2HB ARG 7 2HB ARG 7 2.439 -9.981 -9.981 57 1HG ARG 7 1HG ARG 7 2.369 -9.203 -9.203 58 2HG ARG 7 2HG ARG 7 2.321 -7.495 -7.495 59 1HD ARG 7 1HD ARG 7 0.183 -8.505 -8.505 60 2HD ARG 7 2HD ARG 7 0.036 -7.524 -7.524 61 HE ARG 7 HE ARG 7 0.312 -10.002 -10.002 62 1HH1 ARG 7 2HH2 ARG 7 -1.976 -8.847 -8.847 63 2HH1 ARG 7 1HH2 ARG 7 -3.374 -9.230 -9.230 64 1HH2 ARG 7 2HH1 ARG 7 -1.416 -10.859 -10.859 65 2HH2 ARG 7 1HH1 ARG 7 -3.067 -10.627 -10.627 66 H MET 8 H MET 8 4.408 -8.279 -8.279 67 HA MET 8 HA MET 8 3.835 -5.417 -5.417 68 1HB MET 8 1HB MET 8 3.720 -6.231 -6.231 69 2HB MET 8 2HB MET 8 5.216 -5.809 -5.809 70 1HG MET 8 1HG MET 8 4.251 -8.679 -8.679 71 2HG MET 8 2HG MET 8 5.181 -7.937 -7.937 72 1HE MET 8 3HE MET 8 6.813 -9.898 -9.898 73 2HE MET 8 1HE MET 8 7.823 -10.241 -10.241 74 3HE MET 8 2HE MET 8 6.066 -10.557 -10.557 75 HA PRO 9 HA PRO 9 -0.581 -6.339 -6.339 76 1HB PRO 9 1HB PRO 9 -1.408 -3.890 -3.890 77 2HB PRO 9 2HB PRO 9 -1.226 -4.306 -4.306 78 1HG PRO 9 1HG PRO 9 0.621 -2.685 -2.685 79 2HG PRO 9 2HG PRO 9 0.316 -2.575 -2.575 80 1HD PRO 9 1HD PRO 9 2.536 -3.783 -3.783 81 2HD PRO 9 2HD PRO 9 1.996 -4.080 -4.080 82 H ILE 10 H ILE 10 -1.491 -7.283 -7.283 83 HA ILE 10 HA ILE 10 0.215 -7.515 -7.515 84 HB ILE 10 HB ILE 10 -2.220 -9.105 -9.105 85 1HG1 ILE 10 1HG1 ILE 10 -0.516 -9.163 -9.163 86 2HG1 ILE 10 2HG1 ILE 10 -0.655 -10.703 -10.703 87 1HG2 ILE 10 3HG2 ILE 10 0.027 -9.720 -9.720 88 2HG2 ILE 10 1HG2 ILE 10 -1.067 -10.940 -10.940 89 3HG2 ILE 10 2HG2 ILE 10 -1.712 -9.627 -9.627 90 1HD1 ILE 10 3HD1 ILE 10 1.430 -10.228 -10.228 91 2HD1 ILE 10 1HD1 ILE 10 1.561 -8.653 -8.653 92 3HD1 ILE 10 2HD1 ILE 10 1.688 -10.145 -10.145 93 H CYS 11 H CYS 11 -0.094 -5.973 -5.973 94 HA CYS 11 HA CYS 11 -2.820 -5.067 -5.067 95 1HB CYS 11 1HB CYS 11 -0.474 -3.433 -3.433 96 2HB CYS 11 2HB CYS 11 -1.911 -2.829 -2.829 97 H GLU 12 H GLU 12 -2.215 -6.415 -6.415 98 HA GLU 12 HA GLU 12 -0.638 -5.090 -5.090 99 1HB GLU 12 1HB GLU 12 -0.072 -7.335 -7.335 100 2HB GLU 12 2HB GLU 12 0.552 -7.077 -7.077 101 1HG GLU 12 1HG GLU 12 -2.071 -8.564 -8.564 102 2HG GLU 12 2HG GLU 12 -0.496 -9.349 -9.349 103 H HIS 13 H HIS 13 -3.490 -4.750 -4.750 104 HA HIS 13 HA HIS 13 -4.986 -6.577 -6.577 105 1HB HIS 13 1HB HIS 13 -5.797 -4.058 -4.058 106 2HB HIS 13 2HB HIS 13 -6.898 -5.060 -5.060 107 HD1 HIS 13 HD1 HIS 13 -8.112 -5.301 -5.301 108 HD2 HIS 13 HD2 HIS 13 -4.511 -7.396 -7.396 109 HE1 HIS 13 HE1 HIS 13 -7.929 -7.157 -7.157 110 HE2 HIS 13 HE2 HIS 13 -5.733 -8.409 -8.409 111 H MET 14 H MET 14 -5.655 -6.322 -6.322 112 HA MET 14 HA MET 14 -4.241 -4.373 -4.373 113 1HB MET 14 1HB MET 14 -6.234 -6.581 -6.581 114 2HB MET 14 2HB MET 14 -5.311 -5.642 -5.642 115 1HG MET 14 1HG MET 14 -3.216 -6.518 -6.518 116 2HG MET 14 2HG MET 14 -4.006 -7.326 -7.326 117 1HE MET 14 1HE MET 14 -1.962 -8.860 -8.860 118 2HE MET 14 2HE MET 14 -2.926 -9.632 -9.632 119 3HE MET 14 3HE MET 14 -2.812 -10.393 -10.393 120 H THR 15 H THR 15 -5.601 -2.711 -2.711 121 HA THR 15 HA THR 15 -7.318 -1.401 -1.401 122 HB THR 15 HB THR 15 -8.789 -1.536 -1.536 123 HG1 THR 15 HG1 THR 15 -8.552 -3.921 -3.921 124 1HG2 THR 15 3HG2 THR 15 -9.685 -0.606 -0.606 125 2HG2 THR 15 1HG2 THR 15 -9.644 -2.233 -2.233 126 3HG2 THR 15 2HG2 THR 15 -10.715 -1.889 -1.889 127 H GLU 16 H GLU 16 -6.699 0.679 0.679 128 HA GLU 16 HA GLU 16 -4.678 1.452 1.452 129 1HB GLU 16 1HB GLU 16 -6.685 3.311 3.311 130 2HB GLU 16 2HB GLU 16 -5.031 3.684 3.684 131 1HG GLU 16 1HG GLU 16 -5.844 1.772 1.772 132 2HG GLU 16 2HG GLU 16 -5.145 3.366 3.366 133 H SER 17 H SER 17 -8.106 2.323 2.323 134 HA SER 17 HA SER 17 -7.880 3.294 3.294 135 1HB SER 17 1HB SER 17 -8.267 5.082 5.082 136 2HB SER 17 2HB SER 17 -9.535 4.194 4.194 137 HG SER 17 HG SER 17 -10.904 4.622 4.622 138 HA PRO 18 HA PRO 18 -10.906 -0.201 -0.201 139 1HB PRO 18 1HB PRO 18 -9.851 -1.518 -1.518 140 2HB PRO 18 2HB PRO 18 -9.210 -1.789 -1.789 141 1HG PRO 18 1HG PRO 18 -8.096 0.026 0.026 142 2HG PRO 18 2HG PRO 18 -7.208 -1.161 -1.161 143 1HD PRO 18 1HD PRO 18 -7.357 1.535 1.535 144 2HD PRO 18 2HD PRO 18 -7.196 0.285 0.285 145 H ASP 19 H ASP 19 -12.327 -0.282 -0.282 146 HA ASP 19 HA ASP 19 -12.441 2.458 2.458 147 1HB ASP 19 1HB ASP 19 -14.255 0.044 0.044 148 2HB ASP 19 2HB ASP 19 -14.530 1.625 1.625 149 H CYS 20 H CYS 20 -12.050 2.854 2.854 150 HA CYS 20 HA CYS 20 -10.692 0.777 0.777 151 1HB CYS 20 1HB CYS 20 -11.511 3.635 3.635 152 2HB CYS 20 2HB CYS 20 -10.669 2.490 2.490 153 H SER 21 H SER 21 -13.854 1.964 1.964 154 HA SER 21 HA SER 21 -15.900 1.223 1.223 155 1HB SER 21 1HB SER 21 -14.342 -0.686 -0.686 156 2HB SER 21 2HB SER 21 -14.860 -1.563 -1.563 157 HG SER 21 HG SER 21 -16.554 -0.219 -0.219 158 H ARG 22 H ARG 22 -14.936 2.323 2.323 159 HA ARG 22 HA ARG 22 -14.353 2.113 2.113 160 1HB ARG 22 1HB ARG 22 -17.303 1.439 1.439 161 2HB ARG 22 2HB ARG 22 -16.498 2.013 2.013 162 1HG ARG 22 1HG ARG 22 -16.552 3.590 3.590 163 2HG ARG 22 2HG ARG 22 -17.735 3.762 3.762 164 1HD ARG 22 1HD ARG 22 -16.056 4.532 4.532 165 2HD ARG 22 2HD ARG 22 -14.731 4.161 4.161 166 HE ARG 22 HE ARG 22 -16.535 5.822 5.822 167 1HH1 ARG 22 2HH2 ARG 22 -13.992 6.015 6.015 168 2HH1 ARG 22 1HH2 ARG 22 -13.455 7.579 7.579 169 1HH2 ARG 22 2HH1 ARG 22 -15.757 7.806 7.806 170 2HH2 ARG 22 1HH1 ARG 22 -14.532 8.666 8.666 171 H ILE 23 H ILE 23 -13.337 -0.027 -0.027 172 HA ILE 23 HA ILE 23 -13.932 -2.409 -2.409 173 HB ILE 23 HB ILE 23 -11.364 -1.445 -1.445 174 1HG1 ILE 23 1HG1 ILE 23 -13.289 -3.650 -3.650 175 2HG1 ILE 23 2HG1 ILE 23 -13.424 -2.001 -2.001 176 1HG2 ILE 23 2HG2 ILE 23 -12.130 -4.123 -4.123 177 2HG2 ILE 23 3HG2 ILE 23 -10.644 -3.863 -3.863 178 3HG2 ILE 23 1HG2 ILE 23 -10.888 -3.037 -3.037 179 1HD1 ILE 23 3HD1 ILE 23 -11.166 -2.089 -2.089 180 2HD1 ILE 23 1HD1 ILE 23 -10.988 -3.772 -3.772 181 3HD1 ILE 23 2HD1 ILE 23 -12.220 -3.360 -3.360 182 H TYR 24 H TYR 24 -13.613 -2.510 -2.510 183 HA TYR 24 HA TYR 24 -11.825 -0.460 -0.460 184 1HB TYR 24 1HB TYR 24 -14.412 -0.243 -0.243 185 2HB TYR 24 2HB TYR 24 -14.218 -1.590 -1.590 186 HD1 TYR 24 HD2 TYR 24 -12.399 -1.302 -1.302 187 HD2 TYR 24 HD1 TYR 24 -13.737 1.960 1.960 188 HE1 TYR 24 HE2 TYR 24 -11.259 0.311 0.311 189 HE2 TYR 24 HE1 TYR 24 -12.597 3.555 3.555 190 HH TYR 24 HH TYR 24 -10.753 2.520 2.520 191 H ASP 25 H ASP 25 -10.030 -1.688 -1.688 192 HA ASP 25 HA ASP 25 -10.060 -4.162 -4.162 193 1HB ASP 25 1HB ASP 25 -10.783 -4.870 -4.870 194 2HB ASP 25 2HB ASP 25 -9.278 -4.233 -4.233 195 HA PRO 26 HA PRO 26 -6.851 -0.914 -0.914 196 1HB PRO 26 1HB PRO 26 -6.170 -0.666 -0.666 197 2HB PRO 26 2HB PRO 26 -7.420 0.264 0.264 198 1HG PRO 26 1HG PRO 26 -7.770 -2.247 -2.247 199 2HG PRO 26 2HG PRO 26 -8.789 -0.778 -0.778 200 1HD PRO 26 1HD PRO 26 -9.542 -2.960 -2.960 201 2HD PRO 26 2HD PRO 26 -9.730 -1.345 -1.345 202 H VAL 27 H VAL 27 -4.582 -0.731 -0.731 203 HA VAL 27 HA VAL 27 -3.079 -3.016 -3.016 204 HB VAL 27 HB VAL 27 -1.811 -3.162 -3.162 205 1HG1 VAL 27 1HG1 VAL 27 -3.441 -4.928 -4.928 206 2HG1 VAL 27 2HG1 VAL 27 -4.704 -4.108 -4.108 207 3HG1 VAL 27 3HG1 VAL 27 -3.299 -4.781 -4.781 208 1HG2 VAL 27 3HG2 VAL 27 -2.776 -1.075 -1.075 209 2HG2 VAL 27 1HG2 VAL 27 -2.914 -2.517 -2.517 210 3HG2 VAL 27 2HG2 VAL 27 -4.327 -1.911 -1.911 211 H CYS 28 H CYS 28 -0.936 -2.395 -2.395 212 HA CYS 28 HA CYS 28 -0.486 0.564 0.564 213 1HB CYS 28 1HB CYS 28 -0.558 -0.529 -0.529 214 2HB CYS 28 2HB CYS 28 0.836 -1.516 -1.516 215 H GLY 29 H GLY 29 0.881 1.324 1.324 216 1HA GLY 29 1HA GLY 29 2.576 -0.444 -0.444 217 2HA GLY 29 2HA GLY 29 2.432 1.308 1.308 218 H THR 30 H THR 30 4.925 -0.220 -0.220 219 HA THR 30 HA THR 30 6.463 0.251 0.251 220 HB THR 30 HB THR 30 8.351 0.023 0.023 221 HG1 THR 30 HG1 THR 30 7.418 0.492 0.492 222 1HG2 THR 30 1HG2 THR 30 6.293 -2.201 -2.201 223 2HG2 THR 30 2HG2 THR 30 7.936 -2.392 -2.392 224 3HG2 THR 30 3HG2 THR 30 7.712 -1.890 -1.890 225 H ASP 31 H ASP 31 5.028 2.412 2.412 226 HA ASP 31 HA ASP 31 6.936 4.581 4.581 227 1HB ASP 31 1HB ASP 31 5.352 5.864 5.864 228 2HB ASP 31 2HB ASP 31 5.329 4.293 4.293 229 H GLY 32 H GLY 32 4.330 3.077 3.077 230 1HA GLY 32 1HA GLY 32 4.268 3.307 3.307 231 2HA GLY 32 2HA GLY 32 4.696 5.015 5.015 232 H VAL 33 H VAL 33 2.465 4.224 4.224 233 HA VAL 33 HA VAL 33 0.405 5.652 5.652 234 HB VAL 33 HB VAL 33 0.751 5.149 5.149 235 1HG1 VAL 33 1HG1 VAL 33 -1.284 6.743 6.743 236 2HG1 VAL 33 2HG1 VAL 33 -1.054 6.944 6.944 237 3HG1 VAL 33 3HG1 VAL 33 -1.638 5.399 5.399 238 1HG2 VAL 33 3HG2 VAL 33 1.137 7.631 7.631 239 2HG2 VAL 33 1HG2 VAL 33 2.417 6.684 6.684 240 3HG2 VAL 33 2HG2 VAL 33 1.253 7.571 7.571 241 H THR 34 H THR 34 -1.178 4.525 4.525 242 HA THR 34 HA THR 34 -2.161 1.947 1.947 243 HB THR 34 HB THR 34 -3.283 4.113 4.113 244 HG1 THR 34 HG1 THR 34 -1.482 3.085 3.085 245 1HG2 THR 34 2HG2 THR 34 -4.328 1.336 1.336 246 2HG2 THR 34 3HG2 THR 34 -4.824 2.295 2.295 247 3HG2 THR 34 1HG2 THR 34 -5.170 2.872 2.872 248 H TYR 35 H TYR 35 -2.955 1.847 1.847 249 HA TYR 35 HA TYR 35 -4.669 4.062 4.062 250 1HB TYR 35 1HB TYR 35 -3.503 1.578 1.578 251 2HB TYR 35 2HB TYR 35 -4.609 2.692 2.692 252 HD1 TYR 35 HD2 TYR 35 -3.901 5.078 5.078 253 HD2 TYR 35 HD1 TYR 35 -1.170 2.181 2.181 254 HE1 TYR 35 HE2 TYR 35 -2.003 6.570 6.570 255 HE2 TYR 35 HE1 TYR 35 0.736 3.603 3.603 256 HH TYR 35 HH TYR 35 1.329 5.801 5.801 257 H GLU 36 H GLU 36 -6.851 3.687 3.687 258 HA GLU 36 HA GLU 36 -8.187 1.925 1.925 259 1HB GLU 36 1HB GLU 36 -9.338 3.172 3.172 260 2HB GLU 36 2HB GLU 36 -10.223 2.648 2.648 261 1HG GLU 36 1HG GLU 36 -9.268 4.414 4.414 262 2HG GLU 36 2HG GLU 36 -8.193 4.938 4.938 263 H SER 37 H SER 37 -7.082 1.414 1.414 264 HA SER 37 HA SER 37 -7.281 -1.337 -1.337 265 1HB SER 37 1HB SER 37 -8.745 -2.049 -2.049 266 2HB SER 37 2HB SER 37 -9.655 -1.030 -1.030 267 HG SER 37 HG SER 37 -8.897 -0.595 -0.595 268 H GLU 38 H GLU 38 -6.545 -2.523 -2.523 269 HA GLU 38 HA GLU 38 -4.005 -1.461 -1.461 270 1HB GLU 38 1HB GLU 38 -5.185 -3.442 -3.442 271 2HB GLU 38 2HB GLU 38 -3.553 -3.307 -3.307 272 1HG GLU 38 1HG GLU 38 -4.207 -5.055 -5.055 273 2HG GLU 38 2HG GLU 38 -4.910 -3.831 -3.831 274 H CYS 39 H CYS 39 -6.970 -0.988 -0.988 275 HA CYS 39 HA CYS 39 -6.051 -0.186 -0.186 276 1HB CYS 39 1HB CYS 39 -8.484 -0.094 -0.094 277 2HB CYS 39 2HB CYS 39 -8.110 1.401 1.401 278 H LYS 40 H LYS 40 -6.255 1.857 1.857 279 HA LYS 40 HA LYS 40 -5.080 4.162 4.162 280 1HB LYS 40 1HB LYS 40 -5.921 3.747 3.747 281 2HB LYS 40 2HB LYS 40 -5.191 5.217 5.217 282 1HG LYS 40 1HG LYS 40 -7.199 5.933 5.933 283 2HG LYS 40 2HG LYS 40 -7.215 4.643 4.643 284 1HD LYS 40 1HD LYS 40 -9.258 4.491 4.491 285 2HD LYS 40 2HD LYS 40 -8.290 3.102 3.102 286 1HE LYS 40 1HE LYS 40 -9.535 4.173 4.173 287 2HE LYS 40 2HE LYS 40 -7.784 4.127 4.127 288 1HZ LYS 40 2HZ LYS 40 -9.297 6.457 6.457 289 2HZ LYS 40 3HZ LYS 40 -8.859 6.208 6.208 290 3HZ LYS 40 1HZ LYS 40 -7.685 6.457 6.457 291 H LEU 41 H LEU 41 -3.864 1.539 1.539 292 HA LEU 41 HA LEU 41 -1.313 2.812 2.812 293 1HB LEU 41 1HB LEU 41 -2.289 0.799 0.799 294 2HB LEU 41 2HB LEU 41 -1.874 -0.173 -0.173 295 HG LEU 41 HG LEU 41 0.155 1.472 1.472 296 1HD1 LEU 41 1HD1 LEU 41 -0.621 -1.440 -1.440 297 2HD1 LEU 41 2HD1 LEU 41 0.796 -0.686 -0.686 298 3HD1 LEU 41 3HD1 LEU 41 -0.825 -0.160 -0.160 299 1HD2 LEU 41 2HD2 LEU 41 0.377 -0.396 -0.396 300 2HD2 LEU 41 3HD2 LEU 41 1.295 1.069 1.069 301 3HD2 LEU 41 1HD2 LEU 41 1.652 -0.443 -0.443 302 H CYS 42 H CYS 42 -2.622 0.677 0.677 303 HA CYS 42 HA CYS 42 -0.175 0.559 0.559 304 1HB CYS 42 1HB CYS 42 -3.009 -0.236 -0.236 305 2HB CYS 42 2HB CYS 42 -1.719 -0.286 -0.286 306 H LEU 43 H LEU 43 -3.070 2.601 2.601 307 HA LEU 43 HA LEU 43 -2.131 4.264 4.264 308 1HB LEU 43 1HB LEU 43 -3.736 4.754 4.754 309 2HB LEU 43 2HB LEU 43 -3.413 6.071 6.071 310 HG LEU 43 HG LEU 43 -4.733 3.502 3.502 311 1HD1 LEU 43 2HD1 LEU 43 -6.036 6.005 6.005 312 2HD1 LEU 43 3HD1 LEU 43 -6.885 4.830 4.830 313 3HD1 LEU 43 1HD1 LEU 43 -6.246 4.318 4.318 314 1HD2 LEU 43 3HD2 LEU 43 -4.670 6.380 6.380 315 2HD2 LEU 43 1HD2 LEU 43 -3.790 5.006 5.006 316 3HD2 LEU 43 2HD2 LEU 43 -5.562 5.046 5.046 317 H ALA 44 H ALA 44 -1.471 4.476 4.476 318 HA ALA 44 HA ALA 44 0.207 6.726 6.726 319 1HB ALA 44 1HB ALA 44 -0.713 5.913 5.913 320 2HB ALA 44 1HB ALA 44 0.378 4.509 4.509 321 3HB ALA 44 2HB ALA 44 1.043 6.141 6.141 322 H ARG 45 H ARG 45 1.046 3.271 3.271 323 HA ARG 45 HA ARG 45 3.846 3.567 3.567 324 1HB ARG 45 1HB ARG 45 1.996 1.607 1.607 325 2HB ARG 45 2HB ARG 45 3.751 1.492 1.492 326 1HG ARG 45 1HG ARG 45 3.849 1.176 1.176 327 2HG ARG 45 2HG ARG 45 2.158 1.552 1.552 328 1HD ARG 45 1HD ARG 45 2.250 -0.781 -0.781 329 2HD ARG 45 2HD ARG 45 1.622 -0.456 -0.456 330 HE ARG 45 HE ARG 45 4.506 -1.090 -1.090 331 1HH1 ARG 45 2HH2 ARG 45 1.265 -2.291 -2.291 332 2HH1 ARG 45 1HH2 ARG 45 1.976 -3.642 -3.642 333 1HH2 ARG 45 2HH1 ARG 45 5.302 -2.946 -2.946 334 2HH2 ARG 45 1HH1 ARG 45 4.134 -3.921 -3.921 335 H ILE 46 H ILE 46 1.316 3.795 3.795 336 HA ILE 46 HA ILE 46 3.175 4.365 4.365 337 HB ILE 46 HB ILE 46 0.187 4.946 4.946 338 1HG1 ILE 46 1HG1 ILE 46 1.645 2.656 2.656 339 2HG1 ILE 46 2HG1 ILE 46 0.853 2.515 2.515 340 1HG2 ILE 46 2HG2 ILE 46 1.269 6.356 6.356 341 2HG2 ILE 46 3HG2 ILE 46 2.017 4.909 4.909 342 3HG2 ILE 46 1HG2 ILE 46 0.255 5.132 5.132 343 1HD1 ILE 46 2HD1 ILE 46 -1.317 3.176 3.176 344 2HD1 ILE 46 3HD1 ILE 46 -0.539 3.087 3.087 345 3HD1 ILE 46 1HD1 ILE 46 -0.645 1.644 1.644 346 H GLU 47 H GLU 47 1.113 6.499 6.499 347 HA GLU 47 HA GLU 47 1.763 8.959 8.959 348 1HB GLU 47 1HB GLU 47 1.067 8.204 8.204 349 2HB GLU 47 2HB GLU 47 1.129 9.864 9.864 350 1HG GLU 47 1HG GLU 47 -0.627 9.473 9.473 351 2HG GLU 47 2HG GLU 47 -0.649 7.742 7.742 352 H ASN 48 H ASN 48 3.274 7.367 7.367 353 HA ASN 48 HA ASN 48 5.368 9.318 9.318 354 1HB ASN 48 1HB ASN 48 4.984 6.552 6.552 355 2HB ASN 48 2HB ASN 48 6.359 7.600 7.600 356 1HD2 ASN 48 2HD2 ASN 48 2.664 8.791 8.791 357 2HD2 ASN 48 1HD2 ASN 48 2.778 7.548 7.548 358 H LYS 49 H LYS 49 5.074 6.539 6.539 359 HA LYS 49 HA LYS 49 6.503 5.544 5.544 360 1HB LYS 49 1HB LYS 49 8.656 7.623 7.623 361 2HB LYS 49 2HB LYS 49 8.493 6.596 6.596 362 1HG LYS 49 1HG LYS 49 6.574 8.839 8.839 363 2HG LYS 49 2HG LYS 49 7.929 9.009 9.009 364 1HD LYS 49 1HD LYS 49 7.040 7.459 7.459 365 2HD LYS 49 2HD LYS 49 5.798 6.889 6.889 366 1HE LYS 49 1HE LYS 49 5.908 9.750 9.750 367 2HE LYS 49 2HE LYS 49 4.973 8.427 8.427 368 1HZ LYS 49 1HZ LYS 49 3.810 8.160 8.160 369 2HZ LYS 49 2HZ LYS 49 4.574 9.385 9.385 370 3HZ LYS 49 3HZ LYS 49 3.582 9.689 9.689 371 H GLN 50 H GLN 50 6.175 4.637 4.637 372 HA GLN 50 HA GLN 50 8.881 3.585 3.585 373 1HB GLN 50 1HB GLN 50 6.714 4.694 4.694 374 2HB GLN 50 2HB GLN 50 8.000 3.596 3.596 375 1HG GLN 50 1HG GLN 50 9.690 5.273 5.273 376 2HG GLN 50 2HG GLN 50 8.350 6.418 6.418 377 1HE2 GLN 50 2HE2 GLN 50 10.121 6.057 6.057 378 2HE2 GLN 50 1HE2 GLN 50 10.835 5.663 5.663 379 H ASP 51 H ASP 51 8.927 1.450 1.450 380 HA ASP 51 HA ASP 51 6.462 -0.187 -0.187 381 1HB ASP 51 1HB ASP 51 8.325 -1.054 -1.054 382 2HB ASP 51 2HB ASP 51 9.411 -0.864 -0.864 383 H ILE 52 H ILE 52 5.663 1.083 1.083 384 HA ILE 52 HA ILE 52 6.749 0.644 0.644 385 HB ILE 52 HB ILE 52 3.854 1.258 1.258 386 1HG1 ILE 52 1HG1 ILE 52 6.041 3.295 3.295 387 2HG1 ILE 52 2HG1 ILE 52 5.485 2.943 2.943 388 1HG2 ILE 52 1HG2 ILE 52 4.237 0.510 0.510 389 2HG2 ILE 52 2HG2 ILE 52 5.489 1.750 1.750 390 3HG2 ILE 52 3HG2 ILE 52 3.789 2.205 2.205 391 1HD1 ILE 52 1HD1 ILE 52 3.182 3.604 3.604 392 2HD1 ILE 52 2HD1 ILE 52 3.750 4.117 4.117 393 3HD1 ILE 52 3HD1 ILE 52 4.370 4.913 4.913 394 H GLN 53 H GLN 53 6.327 -1.125 -1.125 395 HA GLN 53 HA GLN 53 4.740 -3.378 -3.378 396 1HB GLN 53 1HB GLN 53 7.470 -3.375 -3.375 397 2HB GLN 53 2HB GLN 53 6.746 -3.972 -3.972 398 1HG GLN 53 1HG GLN 53 5.586 -5.706 -5.706 399 2HG GLN 53 2HG GLN 53 6.082 -5.044 -5.044 400 1HE2 GLN 53 2HE2 GLN 53 9.530 -6.302 -6.302 401 2HE2 GLN 53 1HE2 GLN 53 8.820 -4.724 -4.724 402 H ILE 54 H ILE 54 3.700 -4.696 -4.696 403 HA ILE 54 HA ILE 54 2.564 -2.845 -2.845 404 HB ILE 54 HB ILE 54 1.707 -5.530 -5.530 405 1HG1 ILE 54 1HG1 ILE 54 0.208 -2.913 -2.913 406 2HG1 ILE 54 2HG1 ILE 54 1.242 -3.203 -3.203 407 1HG2 ILE 54 1HG2 ILE 54 0.629 -4.122 -4.122 408 2HG2 ILE 54 2HG2 ILE 54 -0.180 -5.454 -5.454 409 3HG2 ILE 54 3HG2 ILE 54 1.364 -5.744 -5.744 410 1HD1 ILE 54 1HD1 ILE 54 -1.099 -4.981 -4.981 411 2HD1 ILE 54 2HD1 ILE 54 -1.094 -3.734 -3.734 412 3HD1 ILE 54 3HD1 ILE 54 -0.036 -5.153 -5.153 413 H VAL 55 H VAL 55 3.225 -2.801 -2.801 414 HA VAL 55 HA VAL 55 5.363 -4.481 -4.481 415 HB VAL 55 HB VAL 55 3.483 -2.413 -2.413 416 1HG1 VAL 55 1HG1 VAL 55 4.483 -3.924 -3.924 417 2HG1 VAL 55 2HG1 VAL 55 6.094 -3.535 -3.535 418 3HG1 VAL 55 3HG1 VAL 55 5.103 -2.272 -2.272 419 1HG2 VAL 55 1HG2 VAL 55 4.980 -1.506 -1.506 420 2HG2 VAL 55 2HG2 VAL 55 5.350 -0.865 -0.865 421 3HG2 VAL 55 3HG2 VAL 55 6.381 -2.127 -2.127 422 H LYS 56 H LYS 56 1.822 -4.016 -4.016 423 HA LYS 56 HA LYS 56 1.457 -6.722 -6.722 424 1HB LYS 56 1HB LYS 56 0.549 -5.927 -5.927 425 2HB LYS 56 2HB LYS 56 2.295 -5.703 -5.703 426 1HG LYS 56 1HG LYS 56 1.768 -3.276 -3.276 427 2HG LYS 56 2HG LYS 56 0.111 -3.557 -3.557 428 1HD LYS 56 1HD LYS 56 2.651 -3.955 -3.955 429 2HD LYS 56 2HD LYS 56 1.766 -2.441 -2.441 430 1HE LYS 56 1HE LYS 56 0.373 -5.056 -5.056 431 2HE LYS 56 2HE LYS 56 1.347 -4.147 -4.147 432 1HZ LYS 56 2HZ LYS 56 -1.002 -2.974 -2.974 433 2HZ LYS 56 3HZ LYS 56 -0.966 -3.695 -3.695 434 3HZ LYS 56 1HZ LYS 56 -0.116 -2.341 -2.341 435 H ASP 57 H ASP 57 -0.685 -7.299 -7.299 436 HA ASP 57 HA ASP 57 -2.622 -5.956 -5.956 437 1HB ASP 57 1HB ASP 57 -2.970 -8.027 -8.027 438 2HB ASP 57 2HB ASP 57 -4.248 -7.486 -7.486 439 H GLY 58 H GLY 58 -4.427 -4.706 -4.706 440 1HA GLY 58 1HA GLY 58 -5.811 -3.499 -3.499 441 2HA GLY 58 2HA GLY 58 -5.050 -4.224 -4.224 442 H GLU 59 H GLU 59 -5.490 -1.837 -1.837 443 HA GLU 59 HA GLU 59 -3.670 0.143 0.143 444 1HB GLU 59 1HB GLU 59 -5.024 -0.173 -0.173 445 2HB GLU 59 2HB GLU 59 -4.405 1.321 1.321 446 1HG GLU 59 1HG GLU 59 -6.527 1.604 1.604 447 2HG GLU 59 2HG GLU 59 -6.122 0.419 0.419 448 H CYS 60 H CYS 60 -1.891 1.094 1.094 449 HA CYS 60 HA CYS 60 0.031 -0.951 -0.951 450 1HB CYS 60 1HB CYS 60 0.199 1.920 1.920 451 2HB CYS 60 2HB CYS 60 1.171 1.459 1.459 Start of MODEL 11 1 1H GLU 1 1HN GLU 1 7.861 -17.391 -17.391 2 2H GLU 1 2HN GLU 1 6.335 -16.755 -16.755 3 3H GLU 1 3HN GLU 1 7.075 -16.954 -16.954 4 HA GLU 1 HA GLU 1 8.727 -15.427 -15.427 5 1HB GLU 1 1HB GLU 1 6.176 -14.710 -14.710 6 2HB GLU 1 2HB GLU 1 6.315 -13.851 -13.851 7 1HG GLU 1 1HG GLU 1 6.952 -12.416 -12.416 8 2HG GLU 1 2HG GLU 1 8.419 -12.741 -12.741 9 H LYS 2 H LYS 2 8.189 -13.206 -13.206 10 HA LYS 2 HA LYS 2 9.469 -14.675 -14.675 11 1HB LYS 2 1HB LYS 2 10.921 -13.826 -13.826 12 2HB LYS 2 2HB LYS 2 10.426 -12.181 -12.181 13 1HG LYS 2 1HG LYS 2 11.433 -12.385 -12.385 14 2HG LYS 2 2HG LYS 2 11.670 -14.120 -14.120 15 1HD LYS 2 1HD LYS 2 13.747 -13.579 -13.579 16 2HD LYS 2 2HD LYS 2 13.047 -13.215 -13.215 17 1HE LYS 2 1HE LYS 2 13.633 -11.249 -11.249 18 2HE LYS 2 2HE LYS 2 14.558 -11.462 -11.462 19 1HZ LYS 2 3HZ LYS 2 12.712 -10.616 -10.616 20 2HZ LYS 2 1HZ LYS 2 11.796 -10.385 -10.385 21 3HZ LYS 2 2HZ LYS 2 13.201 -9.555 -9.555 22 H GLN 3 H GLN 3 7.757 -14.388 -14.388 23 HA GLN 3 HA GLN 3 6.491 -11.857 -11.857 24 1HB GLN 3 1HB GLN 3 6.712 -14.462 -14.462 25 2HB GLN 3 2HB GLN 3 6.266 -13.012 -13.012 26 1HG GLN 3 1HG GLN 3 4.288 -14.144 -14.144 27 2HG GLN 3 2HG GLN 3 4.398 -12.528 -12.528 28 1HE2 GLN 3 2HE2 GLN 3 3.376 -14.112 -14.112 29 2HE2 GLN 3 1HE2 GLN 3 3.017 -12.946 -12.946 30 H VAL 4 H VAL 4 9.152 -13.397 -13.397 31 HA VAL 4 HA VAL 4 10.319 -12.498 -12.498 32 HB VAL 4 HB VAL 4 10.837 -10.769 -10.769 33 1HG1 VAL 4 2HG1 VAL 4 12.478 -10.971 -10.971 34 2HG1 VAL 4 3HG1 VAL 4 13.203 -10.460 -10.460 35 3HG1 VAL 4 1HG1 VAL 4 11.951 -9.480 -9.480 36 1HG2 VAL 4 1HG2 VAL 4 11.261 -13.158 -13.158 37 2HG2 VAL 4 2HG2 VAL 4 12.748 -12.211 -12.211 38 3HG2 VAL 4 3HG2 VAL 4 12.357 -13.137 -13.137 39 H PHE 5 H PHE 5 7.912 -11.940 -11.940 40 HA PHE 5 HA PHE 5 6.661 -10.698 -10.698 41 1HB PHE 5 1HB PHE 5 9.205 -9.943 -9.943 42 2HB PHE 5 2HB PHE 5 8.483 -8.382 -8.382 43 HD1 PHE 5 1HD PHE 5 6.255 -7.803 -7.803 44 HD2 PHE 5 1HD PHE 5 8.724 -11.176 -11.176 45 HE1 PHE 5 1HE PHE 5 5.142 -7.929 -7.929 46 HE2 PHE 5 2HE PHE 5 7.559 -11.346 -11.346 47 HZ PHE 5 HZ PHE 5 5.781 -9.701 -9.701 48 H SER 6 H SER 6 7.922 -9.136 -9.136 49 HA SER 6 HA SER 6 5.835 -7.039 -7.039 50 1HB SER 6 1HB SER 6 7.279 -6.588 -6.588 51 2HB SER 6 2HB SER 6 7.813 -6.048 -6.048 52 HG SER 6 HG SER 6 9.145 -7.922 -7.922 53 H ARG 7 H ARG 7 5.191 -6.874 -6.874 54 HA ARG 7 HA ARG 7 4.163 -9.499 -9.499 55 1HB ARG 7 1HB ARG 7 2.511 -7.036 -7.036 56 2HB ARG 7 2HB ARG 7 1.938 -8.359 -8.359 57 1HG ARG 7 1HG ARG 7 2.114 -9.956 -9.956 58 2HG ARG 7 2HG ARG 7 2.962 -8.885 -8.885 59 1HD ARG 7 1HD ARG 7 0.536 -9.217 -9.217 60 2HD ARG 7 2HD ARG 7 1.133 -7.550 -7.550 61 HE ARG 7 HE ARG 7 -0.012 -8.103 -8.103 62 1HH1 ARG 7 2HH2 ARG 7 -0.909 -7.755 -7.755 63 2HH1 ARG 7 1HH2 ARG 7 -2.592 -7.516 -7.516 64 1HH2 ARG 7 2HH1 ARG 7 -2.207 -7.275 -7.275 65 2HH2 ARG 7 1HH1 ARG 7 -3.327 -7.275 -7.275 66 H MET 8 H MET 8 3.855 -9.427 -9.427 67 HA MET 8 HA MET 8 4.648 -7.004 -7.004 68 1HB MET 8 1HB MET 8 4.067 -9.901 -9.901 69 2HB MET 8 2HB MET 8 4.656 -8.630 -8.630 70 1HG MET 8 1HG MET 8 6.730 -9.002 -9.002 71 2HG MET 8 2HG MET 8 6.420 -8.722 -8.722 72 1HE MET 8 2HE MET 8 5.863 -10.660 -10.660 73 2HE MET 8 3HE MET 8 4.493 -11.286 -11.286 74 3HE MET 8 1HE MET 8 5.780 -12.380 -12.380 75 HA PRO 9 HA PRO 9 0.069 -6.739 -6.739 76 1HB PRO 9 1HB PRO 9 -0.212 -4.040 -4.040 77 2HB PRO 9 2HB PRO 9 0.084 -4.773 -4.773 78 1HG PRO 9 1HG PRO 9 2.114 -3.545 -3.545 79 2HG PRO 9 2HG PRO 9 1.978 -3.323 -3.323 80 1HD PRO 9 1HD PRO 9 3.765 -5.039 -5.039 81 2HD PRO 9 2HD PRO 9 2.849 -5.457 -5.457 82 H ILE 10 H ILE 10 -1.178 -7.118 -7.118 83 HA ILE 10 HA ILE 10 -0.216 -6.866 -6.866 84 HB ILE 10 HB ILE 10 -2.866 -7.773 -7.773 85 1HG1 ILE 10 1HG1 ILE 10 -0.417 -9.296 -9.296 86 2HG1 ILE 10 2HG1 ILE 10 -1.006 -9.233 -9.233 87 1HG2 ILE 10 3HG2 ILE 10 -3.062 -6.926 -6.926 88 2HG2 ILE 10 1HG2 ILE 10 -1.814 -8.093 -8.093 89 3HG2 ILE 10 2HG2 ILE 10 -3.389 -8.644 -8.644 90 1HD1 ILE 10 3HD1 ILE 10 -3.077 -10.393 -10.393 91 2HD1 ILE 10 1HD1 ILE 10 -2.440 -10.551 -10.551 92 3HD1 ILE 10 2HD1 ILE 10 -1.601 -11.336 -11.336 93 H CYS 11 H CYS 11 -0.785 -5.138 -5.138 94 HA CYS 11 HA CYS 11 -2.707 -3.112 -3.112 95 1HB CYS 11 1HB CYS 11 0.302 -2.804 -2.804 96 2HB CYS 11 2HB CYS 11 -0.833 -1.480 -1.480 97 H GLU 12 H GLU 12 -3.756 -2.260 -2.260 98 HA GLU 12 HA GLU 12 -3.345 -3.704 -3.704 99 1HB GLU 12 1HB GLU 12 -4.899 -2.129 -2.129 100 2HB GLU 12 2HB GLU 12 -5.532 -2.858 -2.858 101 1HG GLU 12 1HG GLU 12 -5.826 -0.850 -0.850 102 2HG GLU 12 2HG GLU 12 -4.236 -0.263 -0.263 103 H HIS 13 H HIS 13 -2.702 -2.886 -2.886 104 HA HIS 13 HA HIS 13 -1.198 -0.318 -0.318 105 1HB HIS 13 1HB HIS 13 -0.451 -2.830 -2.830 106 2HB HIS 13 2HB HIS 13 0.131 -1.199 -1.199 107 HD1 HIS 13 HD1 HIS 13 2.030 -0.258 -0.258 108 HD2 HIS 13 HD2 HIS 13 0.228 -3.710 -3.710 109 HE1 HIS 13 HE1 HIS 13 3.409 -0.907 -0.907 110 HE2 HIS 13 HE2 HIS 13 2.283 -2.982 -2.982 111 H MET 14 H MET 14 -1.626 -1.629 -1.629 112 HA MET 14 HA MET 14 -4.235 -0.163 -0.163 113 1HB MET 14 1HB MET 14 -2.016 -0.302 -0.302 114 2HB MET 14 2HB MET 14 -3.471 0.695 0.695 115 1HG MET 14 1HG MET 14 -2.599 1.890 1.890 116 2HG MET 14 2HG MET 14 -1.118 0.936 0.936 117 1HE MET 14 3HE MET 14 -3.198 3.828 3.828 118 2HE MET 14 1HE MET 14 -2.244 4.192 4.192 119 3HE MET 14 2HE MET 14 -3.183 2.690 2.690 120 H THR 15 H THR 15 -3.801 -3.106 -3.106 121 HA THR 15 HA THR 15 -5.506 -3.859 -3.859 122 HB THR 15 HB THR 15 -3.354 -4.345 -4.345 123 HG1 THR 15 HG1 THR 15 -4.752 -6.719 -6.719 124 1HG2 THR 15 2HG2 THR 15 -1.960 -4.831 -4.831 125 2HG2 THR 15 3HG2 THR 15 -2.849 -6.348 -6.348 126 3HG2 THR 15 1HG2 THR 15 -1.903 -6.138 -6.138 127 H GLU 16 H GLU 16 -3.789 -5.217 -5.217 128 HA GLU 16 HA GLU 16 -6.263 -6.751 -6.751 129 1HB GLU 16 1HB GLU 16 -3.842 -7.631 -7.631 130 2HB GLU 16 2HB GLU 16 -3.876 -6.699 -6.699 131 1HG GLU 16 1HG GLU 16 -4.548 -9.028 -9.028 132 2HG GLU 16 2HG GLU 16 -5.926 -7.953 -7.953 133 H SER 17 H SER 17 -7.267 -4.649 -4.649 134 HA SER 17 HA SER 17 -6.977 -2.872 -2.872 135 1HB SER 17 1HB SER 17 -7.422 -2.181 -2.181 136 2HB SER 17 2HB SER 17 -7.200 -1.065 -1.065 137 HG SER 17 HG SER 17 -5.112 -1.368 -1.368 138 HA PRO 18 HA PRO 18 -11.436 -3.947 -3.947 139 1HB PRO 18 1HB PRO 18 -11.960 -4.969 -4.969 140 2HB PRO 18 2HB PRO 18 -10.917 -5.822 -5.822 141 1HG PRO 18 1HG PRO 18 -9.956 -3.996 -3.996 142 2HG PRO 18 2HG PRO 18 -9.493 -5.696 -5.696 143 1HD PRO 18 1HD PRO 18 -8.049 -3.570 -3.570 144 2HD PRO 18 2HD PRO 18 -8.171 -5.131 -5.131 145 H ASP 19 H ASP 19 -12.279 -3.229 -3.229 146 HA ASP 19 HA ASP 19 -12.055 -0.259 -0.259 147 1HB ASP 19 1HB ASP 19 -14.354 -1.999 -1.999 148 2HB ASP 19 2HB ASP 19 -14.226 -0.245 -0.245 149 H CYS 20 H CYS 20 -11.352 0.541 0.541 150 HA CYS 20 HA CYS 20 -9.983 -1.304 -1.304 151 1HB CYS 20 1HB CYS 20 -10.872 1.554 1.554 152 2HB CYS 20 2HB CYS 20 -10.428 0.608 0.608 153 H SER 21 H SER 21 -10.567 -2.542 -2.542 154 HA SER 21 HA SER 21 -13.380 -3.012 -3.012 155 1HB SER 21 1HB SER 21 -10.840 -3.811 -3.811 156 2HB SER 21 2HB SER 21 -12.462 -4.423 -4.423 157 HG SER 21 HG SER 21 -11.269 -4.629 -4.629 158 H ARG 22 H ARG 22 -14.668 -1.674 -1.674 159 HA ARG 22 HA ARG 22 -13.547 0.374 0.374 160 1HB ARG 22 1HB ARG 22 -16.351 -0.699 -0.699 161 2HB ARG 22 2HB ARG 22 -15.986 0.830 0.830 162 1HG ARG 22 1HG ARG 22 -15.206 1.858 1.858 163 2HG ARG 22 2HG ARG 22 -15.344 0.348 0.348 164 1HD ARG 22 1HD ARG 22 -17.587 2.039 2.039 165 2HD ARG 22 2HD ARG 22 -17.250 1.684 1.684 166 HE ARG 22 HE ARG 22 -17.784 -0.681 -0.681 167 1HH1 ARG 22 2HH2 ARG 22 -18.698 1.403 1.403 168 2HH1 ARG 22 1HH2 ARG 22 -20.079 0.397 0.397 169 1HH2 ARG 22 2HH1 ARG 22 -19.528 -2.056 -2.056 170 2HH2 ARG 22 1HH1 ARG 22 -20.107 -1.748 -1.748 171 H ILE 23 H ILE 23 -13.083 -2.571 -2.571 172 HA ILE 23 HA ILE 23 -14.762 -3.262 -3.262 173 HB ILE 23 HB ILE 23 -12.041 -4.155 -4.155 174 1HG1 ILE 23 1HG1 ILE 23 -14.220 -4.629 -4.629 175 2HG1 ILE 23 2HG1 ILE 23 -13.092 -5.936 -5.936 176 1HG2 ILE 23 3HG2 ILE 23 -13.607 -5.288 -5.288 177 2HG2 ILE 23 1HG2 ILE 23 -12.281 -6.136 -6.136 178 3HG2 ILE 23 2HG2 ILE 23 -11.963 -4.624 -4.624 179 1HD1 ILE 23 2HD1 ILE 23 -15.630 -5.414 -5.414 180 2HD1 ILE 23 3HD1 ILE 23 -15.457 -6.615 -6.615 181 3HD1 ILE 23 1HD1 ILE 23 -14.534 -6.799 -6.799 182 H TYR 24 H TYR 24 -14.703 -2.387 -2.387 183 HA TYR 24 HA TYR 24 -12.455 -0.732 -0.732 184 1HB TYR 24 1HB TYR 24 -14.850 -0.457 -0.457 185 2HB TYR 24 2HB TYR 24 -14.786 -1.964 -1.964 186 HD1 TYR 24 HD2 TYR 24 -12.729 -2.021 -2.021 187 HD2 TYR 24 HD1 TYR 24 -14.811 1.458 1.458 188 HE1 TYR 24 HE2 TYR 24 -12.133 -0.779 -0.779 189 HE2 TYR 24 HE1 TYR 24 -14.411 2.593 2.593 190 HH TYR 24 HH TYR 24 -12.473 1.135 1.135 191 H ASP 25 H ASP 25 -10.570 -2.048 -2.048 192 HA ASP 25 HA ASP 25 -10.377 -3.921 -3.921 193 1HB ASP 25 1HB ASP 25 -11.052 -5.522 -5.522 194 2HB ASP 25 2HB ASP 25 -9.754 -4.951 -4.951 195 HA PRO 26 HA PRO 26 -7.093 -0.956 -0.956 196 1HB PRO 26 1HB PRO 26 -6.203 -0.471 -0.471 197 2HB PRO 26 2HB PRO 26 -7.467 0.434 0.434 198 1HG PRO 26 1HG PRO 26 -7.806 -1.847 -1.847 199 2HG PRO 26 2HG PRO 26 -8.782 -0.366 -0.366 200 1HD PRO 26 1HD PRO 26 -9.611 -2.734 -2.734 201 2HD PRO 26 2HD PRO 26 -9.931 -1.222 -1.222 202 H VAL 27 H VAL 27 -4.798 -0.814 -0.814 203 HA VAL 27 HA VAL 27 -3.271 -2.977 -2.977 204 HB VAL 27 HB VAL 27 -1.998 -3.357 -3.357 205 1HG1 VAL 27 3HG1 VAL 27 -3.920 -4.878 -4.878 206 2HG1 VAL 27 1HG1 VAL 27 -4.948 -3.886 -3.886 207 3HG1 VAL 27 2HG1 VAL 27 -3.575 -4.769 -4.769 208 1HG2 VAL 27 1HG2 VAL 27 -2.456 -1.228 -1.228 209 2HG2 VAL 27 2HG2 VAL 27 -2.885 -2.622 -2.622 210 3HG2 VAL 27 3HG2 VAL 27 -4.158 -1.694 -1.694 211 H CYS 28 H CYS 28 -0.905 -2.265 -2.265 212 HA CYS 28 HA CYS 28 -0.625 0.701 0.701 213 1HB CYS 28 1HB CYS 28 -0.506 -0.265 -0.265 214 2HB CYS 28 2HB CYS 28 1.060 -0.919 -0.919 215 H GLY 29 H GLY 29 1.001 1.467 1.467 216 1HA GLY 29 1HA GLY 29 2.472 -0.508 -0.508 217 2HA GLY 29 2HA GLY 29 2.408 1.225 1.225 218 H THR 30 H THR 30 4.867 -0.157 -0.157 219 HA THR 30 HA THR 30 6.480 0.363 0.363 220 HB THR 30 HB THR 30 8.356 -0.140 -0.140 221 HG1 THR 30 HG1 THR 30 7.726 0.567 0.567 222 1HG2 THR 30 2HG2 THR 30 6.047 -2.128 -2.128 223 2HG2 THR 30 3HG2 THR 30 7.740 -2.454 -2.454 224 3HG2 THR 30 1HG2 THR 30 7.323 -2.037 -2.037 225 H ASP 31 H ASP 31 4.796 2.582 2.582 226 HA ASP 31 HA ASP 31 6.832 4.722 4.722 227 1HB ASP 31 1HB ASP 31 4.898 5.996 5.996 228 2HB ASP 31 2HB ASP 31 5.527 4.737 4.737 229 H GLY 32 H GLY 32 4.591 2.909 2.909 230 1HA GLY 32 1HA GLY 32 4.002 3.219 3.219 231 2HA GLY 32 2HA GLY 32 4.589 4.891 4.891 232 H VAL 33 H VAL 33 2.636 4.382 4.382 233 HA VAL 33 HA VAL 33 0.545 6.003 6.003 234 HB VAL 33 HB VAL 33 1.035 5.305 5.305 235 1HG1 VAL 33 3HG1 VAL 33 -0.964 7.213 7.213 236 2HG1 VAL 33 1HG1 VAL 33 -0.601 7.176 7.176 237 3HG1 VAL 33 2HG1 VAL 33 -1.341 5.775 5.775 238 1HG2 VAL 33 2HG2 VAL 33 1.612 7.816 7.816 239 2HG2 VAL 33 3HG2 VAL 33 2.795 6.750 6.750 240 3HG2 VAL 33 1HG2 VAL 33 1.681 7.709 7.709 241 H THR 34 H THR 34 -1.508 5.291 5.291 242 HA THR 34 HA THR 34 -2.080 2.388 2.388 243 HB THR 34 HB THR 34 -3.463 4.699 4.699 244 HG1 THR 34 HG1 THR 34 -1.471 3.194 3.194 245 1HG2 THR 34 3HG2 THR 34 -4.385 1.818 1.818 246 2HG2 THR 34 1HG2 THR 34 -4.975 2.965 2.965 247 3HG2 THR 34 2HG2 THR 34 -5.239 3.294 3.294 248 H TYR 35 H TYR 35 -3.542 1.652 1.652 249 HA TYR 35 HA TYR 35 -5.017 3.605 3.605 250 1HB TYR 35 1HB TYR 35 -3.440 1.174 1.174 251 2HB TYR 35 2HB TYR 35 -4.469 2.183 2.183 252 HD1 TYR 35 HD2 TYR 35 -3.846 4.746 4.746 253 HD2 TYR 35 HD1 TYR 35 -1.185 1.881 1.881 254 HE1 TYR 35 HE2 TYR 35 -1.924 6.154 6.154 255 HE2 TYR 35 HE1 TYR 35 0.755 3.261 3.261 256 HH TYR 35 HH TYR 35 1.435 5.165 5.165 257 H GLU 36 H GLU 36 -7.095 3.061 3.061 258 HA GLU 36 HA GLU 36 -8.026 0.989 0.989 259 1HB GLU 36 1HB GLU 36 -9.513 2.916 2.916 260 2HB GLU 36 2HB GLU 36 -10.249 1.816 1.816 261 1HG GLU 36 1HG GLU 36 -9.974 4.001 4.001 262 2HG GLU 36 2HG GLU 36 -8.941 2.799 2.799 263 H SER 37 H SER 37 -7.238 0.889 0.889 264 HA SER 37 HA SER 37 -7.650 -1.895 -1.895 265 1HB SER 37 1HB SER 37 -9.000 -2.323 -2.323 266 2HB SER 37 2HB SER 37 -9.885 -1.217 -1.217 267 HG SER 37 HG SER 37 -9.193 -0.925 -0.925 268 H GLU 38 H GLU 38 -6.524 -2.921 -2.921 269 HA GLU 38 HA GLU 38 -3.998 -1.729 -1.729 270 1HB GLU 38 1HB GLU 38 -5.364 -3.934 -3.934 271 2HB GLU 38 2HB GLU 38 -3.667 -3.476 -3.476 272 1HG GLU 38 1HG GLU 38 -3.218 -3.952 -3.952 273 2HG GLU 38 2HG GLU 38 -4.896 -4.417 -4.417 274 H CYS 39 H CYS 39 -6.956 -1.207 -1.207 275 HA CYS 39 HA CYS 39 -6.164 -0.140 -0.140 276 1HB CYS 39 1HB CYS 39 -8.519 -0.125 -0.125 277 2HB CYS 39 2HB CYS 39 -8.092 1.071 1.071 278 H LYS 40 H LYS 40 -6.218 1.589 1.589 279 HA LYS 40 HA LYS 40 -5.267 4.116 4.116 280 1HB LYS 40 1HB LYS 40 -5.985 3.220 3.220 281 2HB LYS 40 2HB LYS 40 -5.212 4.792 4.792 282 1HG LYS 40 1HG LYS 40 -7.383 4.120 4.120 283 2HG LYS 40 2HG LYS 40 -7.892 4.262 4.262 284 1HD LYS 40 1HD LYS 40 -7.064 6.470 6.470 285 2HD LYS 40 2HD LYS 40 -6.063 6.365 6.365 286 1HE LYS 40 1HE LYS 40 -7.820 6.696 6.696 287 2HE LYS 40 2HE LYS 40 -8.998 5.926 5.926 288 1HZ LYS 40 3HZ LYS 40 -7.886 8.613 8.613 289 2HZ LYS 40 1HZ LYS 40 -9.398 8.204 8.204 290 3HZ LYS 40 2HZ LYS 40 -8.982 7.790 7.790 291 H LEU 41 H LEU 41 -3.855 1.427 1.427 292 HA LEU 41 HA LEU 41 -1.245 2.551 2.551 293 1HB LEU 41 1HB LEU 41 -2.177 0.585 0.585 294 2HB LEU 41 2HB LEU 41 -2.206 -0.318 -0.318 295 HG LEU 41 HG LEU 41 0.455 0.832 0.832 296 1HD1 LEU 41 2HD1 LEU 41 -0.884 -1.406 -1.406 297 2HD1 LEU 41 3HD1 LEU 41 0.859 -0.998 -0.998 298 3HD1 LEU 41 1HD1 LEU 41 -0.355 0.144 0.144 299 1HD2 LEU 41 1HD2 LEU 41 -0.628 -1.848 -1.848 300 2HD2 LEU 41 2HD2 LEU 41 0.329 -0.659 -0.659 301 3HD2 LEU 41 3HD2 LEU 41 1.041 -1.615 -1.615 302 H CYS 42 H CYS 42 -2.735 0.646 0.646 303 HA CYS 42 HA CYS 42 -0.481 0.436 0.436 304 1HB CYS 42 1HB CYS 42 -3.462 0.261 0.261 305 2HB CYS 42 2HB CYS 42 -2.241 0.073 0.073 306 H LEU 43 H LEU 43 -3.248 2.703 2.703 307 HA LEU 43 HA LEU 43 -2.398 4.539 4.539 308 1HB LEU 43 1HB LEU 43 -3.826 4.699 4.699 309 2HB LEU 43 2HB LEU 43 -3.522 6.187 6.187 310 HG LEU 43 HG LEU 43 -4.885 3.858 3.858 311 1HD1 LEU 43 1HD1 LEU 43 -6.080 5.968 5.968 312 2HD1 LEU 43 2HD1 LEU 43 -7.014 5.142 5.142 313 3HD1 LEU 43 3HD1 LEU 43 -6.305 4.206 4.206 314 1HD2 LEU 43 1HD2 LEU 43 -4.036 5.784 5.784 315 2HD2 LEU 43 2HD2 LEU 43 -5.816 5.698 5.698 316 3HD2 LEU 43 3HD2 LEU 43 -4.987 6.887 6.887 317 H ALA 44 H ALA 44 -1.549 4.637 4.637 318 HA ALA 44 HA ALA 44 0.280 6.761 6.761 319 1HB ALA 44 2HB ALA 44 -0.691 5.937 5.937 320 2HB ALA 44 1HB ALA 44 0.340 4.489 4.489 321 3HB ALA 44 1HB ALA 44 1.067 6.098 6.098 322 H ARG 45 H ARG 45 0.815 3.300 3.300 323 HA ARG 45 HA ARG 45 3.667 3.245 3.245 324 1HB ARG 45 1HB ARG 45 1.491 1.517 1.517 325 2HB ARG 45 2HB ARG 45 2.140 1.771 1.771 326 1HG ARG 45 1HG ARG 45 3.847 0.397 0.397 327 2HG ARG 45 2HG ARG 45 4.250 1.088 1.088 328 1HD ARG 45 1HD ARG 45 1.711 -0.561 -0.561 329 2HD ARG 45 2HD ARG 45 3.207 -1.398 -1.398 330 HE ARG 45 HE ARG 45 3.755 -1.356 -1.356 331 1HH1 ARG 45 2HH2 ARG 45 2.058 1.746 1.746 332 2HH1 ARG 45 1HH2 ARG 45 2.032 2.047 2.047 333 1HH2 ARG 45 2HH1 ARG 45 3.436 -1.113 -1.113 334 2HH2 ARG 45 1HH1 ARG 45 2.691 0.307 0.307 335 H ILE 46 H ILE 46 1.182 4.384 4.384 336 HA ILE 46 HA ILE 46 3.140 4.830 4.830 337 HB ILE 46 HB ILE 46 0.296 5.894 5.894 338 1HG1 ILE 46 1HG1 ILE 46 1.359 3.282 3.282 339 2HG1 ILE 46 2HG1 ILE 46 0.303 3.434 3.434 340 1HG2 ILE 46 3HG2 ILE 46 1.823 6.980 6.980 341 2HG2 ILE 46 1HG2 ILE 46 2.117 5.390 5.390 342 3HG2 ILE 46 2HG2 ILE 46 0.493 6.095 6.095 343 1HD1 ILE 46 3HD1 ILE 46 -1.458 4.445 4.445 344 2HD1 ILE 46 1HD1 ILE 46 -0.477 4.146 4.146 345 3HD1 ILE 46 2HD1 ILE 46 -0.994 2.788 2.788 346 H GLU 47 H GLU 47 1.217 7.016 7.016 347 HA GLU 47 HA GLU 47 2.681 9.251 9.251 348 1HB GLU 47 1HB GLU 47 0.912 9.268 9.268 349 2HB GLU 47 2HB GLU 47 1.405 10.643 10.643 350 1HG GLU 47 1HG GLU 47 -0.436 8.337 8.337 351 2HG GLU 47 2HG GLU 47 -0.849 10.044 10.044 352 H ASN 48 H ASN 48 3.268 7.302 7.302 353 HA ASN 48 HA ASN 48 5.477 8.961 8.961 354 1HB ASN 48 1HB ASN 48 5.018 6.003 6.003 355 2HB ASN 48 2HB ASN 48 6.062 7.092 7.092 356 1HD2 ASN 48 2HD2 ASN 48 2.603 8.732 8.732 357 2HD2 ASN 48 1HD2 ASN 48 3.739 9.174 9.174 358 H LYS 49 H LYS 49 4.961 6.601 6.601 359 HA LYS 49 HA LYS 49 6.247 5.646 5.646 360 1HB LYS 49 1HB LYS 49 8.419 7.672 7.672 361 2HB LYS 49 2HB LYS 49 8.116 6.806 6.806 362 1HG LYS 49 1HG LYS 49 5.982 8.080 8.080 363 2HG LYS 49 2HG LYS 49 6.406 9.036 9.036 364 1HD LYS 49 1HD LYS 49 8.683 9.452 9.452 365 2HD LYS 49 2HD LYS 49 7.916 8.826 8.826 366 1HE LYS 49 1HE LYS 49 7.068 11.233 11.233 367 2HE LYS 49 2HE LYS 49 7.892 11.326 11.326 368 1HZ LYS 49 3HZ LYS 49 5.203 10.088 10.088 369 2HZ LYS 49 1HZ LYS 49 5.430 11.681 11.681 370 3HZ LYS 49 2HZ LYS 49 5.934 10.720 10.720 371 H GLN 50 H GLN 50 6.335 4.369 4.369 372 HA GLN 50 HA GLN 50 9.181 3.449 3.449 373 1HB GLN 50 1HB GLN 50 7.606 4.754 4.754 374 2HB GLN 50 2HB GLN 50 8.923 3.610 3.610 375 1HG GLN 50 1HG GLN 50 10.579 4.976 4.976 376 2HG GLN 50 2HG GLN 50 9.404 5.983 5.983 377 1HE2 GLN 50 2HE2 GLN 50 9.510 6.664 6.664 378 2HE2 GLN 50 1HE2 GLN 50 9.529 4.998 4.998 379 H ASP 51 H ASP 51 9.525 1.431 1.431 380 HA ASP 51 HA ASP 51 7.258 -0.389 -0.389 381 1HB ASP 51 1HB ASP 51 9.444 -0.838 -0.838 382 2HB ASP 51 2HB ASP 51 10.214 -0.897 -0.897 383 H ILE 52 H ILE 52 6.532 0.945 0.945 384 HA ILE 52 HA ILE 52 7.443 0.216 0.216 385 HB ILE 52 HB ILE 52 4.951 1.444 1.444 386 1HG1 ILE 52 1HG1 ILE 52 7.008 2.863 2.863 387 2HG1 ILE 52 2HG1 ILE 52 7.149 2.685 2.685 388 1HG2 ILE 52 2HG2 ILE 52 4.564 0.378 0.378 389 2HG2 ILE 52 3HG2 ILE 52 5.437 1.792 1.792 390 3HG2 ILE 52 1HG2 ILE 52 3.947 1.977 1.977 391 1HD1 ILE 52 2HD1 ILE 52 4.809 4.029 4.029 392 2HD1 ILE 52 3HD1 ILE 52 6.132 4.837 4.837 393 3HD1 ILE 52 1HD1 ILE 52 4.993 3.817 3.817 394 H GLN 53 H GLN 53 6.446 -1.424 -1.424 395 HA GLN 53 HA GLN 53 4.578 -3.367 -3.367 396 1HB GLN 53 1HB GLN 53 6.862 -3.908 -3.908 397 2HB GLN 53 2HB GLN 53 5.619 -5.079 -5.079 398 1HG GLN 53 1HG GLN 53 6.227 -4.671 -4.671 399 2HG GLN 53 2HG GLN 53 7.517 -3.656 -3.656 400 1HE2 GLN 53 2HE2 GLN 53 7.958 -7.703 -7.703 401 2HE2 GLN 53 1HE2 GLN 53 6.482 -6.904 -6.904 402 H ILE 54 H ILE 54 3.672 -4.758 -4.758 403 HA ILE 54 HA ILE 54 2.350 -2.767 -2.767 404 HB ILE 54 HB ILE 54 1.584 -5.538 -5.538 405 1HG1 ILE 54 1HG1 ILE 54 0.031 -2.956 -2.956 406 2HG1 ILE 54 2HG1 ILE 54 1.184 -3.360 -3.360 407 1HG2 ILE 54 3HG2 ILE 54 0.342 -3.776 -3.776 408 2HG2 ILE 54 1HG2 ILE 54 -0.446 -5.201 -5.201 409 3HG2 ILE 54 2HG2 ILE 54 1.040 -5.392 -5.392 410 1HD1 ILE 54 1HD1 ILE 54 -0.042 -5.486 -5.486 411 2HD1 ILE 54 2HD1 ILE 54 -1.307 -4.916 -4.916 412 3HD1 ILE 54 3HD1 ILE 54 -0.953 -4.016 -4.016 413 H VAL 55 H VAL 55 3.026 -2.672 -2.672 414 HA VAL 55 HA VAL 55 5.231 -4.286 -4.286 415 HB VAL 55 HB VAL 55 3.358 -2.216 -2.216 416 1HG1 VAL 55 3HG1 VAL 55 4.298 -3.706 -3.706 417 2HG1 VAL 55 1HG1 VAL 55 5.924 -3.293 -3.293 418 3HG1 VAL 55 2HG1 VAL 55 4.864 -2.038 -2.038 419 1HG2 VAL 55 2HG2 VAL 55 4.961 -1.439 -1.439 420 2HG2 VAL 55 3HG2 VAL 55 5.215 -0.678 -0.678 421 3HG2 VAL 55 1HG2 VAL 55 6.298 -1.969 -1.969 422 H LYS 56 H LYS 56 1.720 -3.919 -3.919 423 HA LYS 56 HA LYS 56 1.353 -6.628 -6.628 424 1HB LYS 56 1HB LYS 56 0.723 -6.107 -6.107 425 2HB LYS 56 2HB LYS 56 2.427 -5.703 -5.703 426 1HG LYS 56 1HG LYS 56 1.566 -3.262 -3.262 427 2HG LYS 56 2HG LYS 56 0.043 -3.850 -3.850 428 1HD LYS 56 1HD LYS 56 1.512 -4.663 -4.663 429 2HD LYS 56 2HD LYS 56 2.799 -3.678 -3.678 430 1HE LYS 56 1HE LYS 56 1.623 -2.497 -2.497 431 2HE LYS 56 2HE LYS 56 1.409 -1.664 -1.664 432 1HZ LYS 56 3HZ LYS 56 -0.600 -3.576 -3.576 433 2HZ LYS 56 1HZ LYS 56 -0.565 -1.959 -1.959 434 3HZ LYS 56 2HZ LYS 56 -0.855 -2.401 -2.401 435 H ASP 57 H ASP 57 -0.973 -6.924 -6.924 436 HA ASP 57 HA ASP 57 -2.668 -5.246 -5.246 437 1HB ASP 57 1HB ASP 57 -3.348 -7.601 -7.601 438 2HB ASP 57 2HB ASP 57 -4.495 -6.735 -6.735 439 H GLY 58 H GLY 58 -4.675 -4.367 -4.367 440 1HA GLY 58 1HA GLY 58 -5.897 -3.055 -3.055 441 2HA GLY 58 2HA GLY 58 -4.976 -3.626 -3.626 442 H GLU 59 H GLU 59 -5.424 -1.103 -1.103 443 HA GLU 59 HA GLU 59 -3.760 0.724 0.724 444 1HB GLU 59 1HB GLU 59 -4.644 1.078 1.078 445 2HB GLU 59 2HB GLU 59 -4.219 2.304 2.304 446 1HG GLU 59 1HG GLU 59 -6.289 1.393 1.393 447 2HG GLU 59 2HG GLU 59 -6.757 0.652 0.652 448 H CYS 60 H CYS 60 -1.931 1.908 1.908 449 HA CYS 60 HA CYS 60 0.109 -0.015 -0.015 450 1HB CYS 60 1HB CYS 60 0.077 2.900 2.900 451 2HB CYS 60 2HB CYS 60 1.094 2.389 2.389 Start of MODEL 12 1 1H GLU 1 2HN GLU 1 13.839 -14.036 -14.036 2 2H GLU 1 3HN GLU 1 13.365 -12.983 -12.983 3 3H GLU 1 1HN GLU 1 14.448 -12.512 -12.512 4 HA GLU 1 HA GLU 1 12.461 -11.601 -11.601 5 1HB GLU 1 1HB GLU 1 10.382 -12.809 -12.809 6 2HB GLU 1 2HB GLU 1 11.014 -12.813 -12.813 7 1HG GLU 1 1HG GLU 1 10.773 -15.132 -15.132 8 2HG GLU 1 2HG GLU 1 10.089 -14.955 -14.955 9 H LYS 2 H LYS 2 14.758 -12.527 -12.527 10 HA LYS 2 HA LYS 2 14.087 -14.837 -14.837 11 1HB LYS 2 1HB LYS 2 16.318 -14.171 -14.171 12 2HB LYS 2 2HB LYS 2 16.649 -13.277 -13.277 13 1HG LYS 2 1HG LYS 2 17.591 -15.183 -15.183 14 2HG LYS 2 2HG LYS 2 15.970 -15.725 -15.725 15 1HD LYS 2 1HD LYS 2 17.524 -16.201 -16.201 16 2HD LYS 2 2HD LYS 2 17.320 -17.396 -17.396 17 1HE LYS 2 1HE LYS 2 14.939 -16.207 -16.207 18 2HE LYS 2 2HE LYS 2 15.839 -17.598 -17.598 19 1HZ LYS 2 1HZ LYS 2 15.257 -18.778 -18.778 20 2HZ LYS 2 2HZ LYS 2 14.362 -17.505 -17.505 21 3HZ LYS 2 3HZ LYS 2 13.954 -18.290 -18.290 22 H GLN 3 H GLN 3 12.350 -12.870 -12.870 23 HA GLN 3 HA GLN 3 13.063 -12.880 -12.880 24 1HB GLN 3 1HB GLN 3 12.438 -10.534 -10.534 25 2HB GLN 3 2HB GLN 3 13.995 -10.765 -10.765 26 1HG GLN 3 1HG GLN 3 11.442 -9.947 -9.947 27 2HG GLN 3 2HG GLN 3 12.673 -8.836 -8.836 28 1HE2 GLN 3 2HE2 GLN 3 15.236 -10.154 -10.154 29 2HE2 GLN 3 1HE2 GLN 3 15.037 -9.773 -9.773 30 H VAL 4 H VAL 4 11.326 -13.688 -13.688 31 HA VAL 4 HA VAL 4 8.725 -13.761 -13.761 32 HB VAL 4 HB VAL 4 9.598 -14.806 -14.806 33 1HG1 VAL 4 1HG1 VAL 4 7.070 -15.332 -15.332 34 2HG1 VAL 4 2HG1 VAL 4 7.536 -16.209 -16.209 35 3HG1 VAL 4 3HG1 VAL 4 7.137 -14.494 -14.494 36 1HG2 VAL 4 1HG2 VAL 4 10.781 -15.950 -15.950 37 2HG2 VAL 4 2HG2 VAL 4 9.608 -17.014 -17.014 38 3HG2 VAL 4 3HG2 VAL 4 9.217 -16.268 -16.268 39 H PHE 5 H PHE 5 8.623 -11.403 -11.403 40 HA PHE 5 HA PHE 5 7.095 -10.350 -10.350 41 1HB PHE 5 1HB PHE 5 9.443 -8.746 -8.746 42 2HB PHE 5 2HB PHE 5 8.209 -8.163 -8.163 43 HD1 PHE 5 1HD PHE 5 7.915 -9.814 -9.814 44 HD2 PHE 5 1HD PHE 5 11.512 -9.054 -9.054 45 HE1 PHE 5 2HE PHE 5 9.297 -10.515 -10.515 46 HE2 PHE 5 1HE PHE 5 12.876 -9.793 -9.793 47 HZ PHE 5 HZ PHE 5 11.758 -10.511 -10.511 48 H SER 6 H SER 6 8.579 -8.963 -8.963 49 HA SER 6 HA SER 6 6.143 -7.477 -7.477 50 1HB SER 6 1HB SER 6 7.407 -6.651 -6.651 51 2HB SER 6 2HB SER 6 8.338 -6.550 -6.550 52 HG SER 6 HG SER 6 8.615 -8.879 -8.879 53 H ARG 7 H ARG 7 5.248 -7.509 -7.509 54 HA ARG 7 HA ARG 7 4.962 -10.203 -10.203 55 1HB ARG 7 1HB ARG 7 2.448 -10.061 -10.061 56 2HB ARG 7 2HB ARG 7 3.407 -10.591 -10.591 57 1HG ARG 7 1HG ARG 7 2.946 -8.761 -8.761 58 2HG ARG 7 2HG ARG 7 2.908 -7.624 -7.624 59 1HD ARG 7 1HD ARG 7 0.757 -9.707 -9.707 60 2HD ARG 7 2HD ARG 7 0.694 -8.052 -8.052 61 HE ARG 7 HE ARG 7 1.191 -7.873 -7.873 62 1HH1 ARG 7 2HH2 ARG 7 -1.349 -8.961 -8.961 63 2HH1 ARG 7 1HH2 ARG 7 -2.661 -8.584 -8.584 64 1HH2 ARG 7 2HH1 ARG 7 -0.673 -7.048 -7.048 65 2HH2 ARG 7 1HH1 ARG 7 -2.258 -7.423 -7.423 66 H MET 8 H MET 8 5.656 -9.301 -9.301 67 HA MET 8 HA MET 8 5.405 -6.781 -6.781 68 1HB MET 8 1HB MET 8 5.403 -9.431 -9.431 69 2HB MET 8 2HB MET 8 5.673 -7.868 -7.868 70 1HG MET 8 1HG MET 8 7.654 -7.523 -7.523 71 2HG MET 8 2HG MET 8 7.396 -9.127 -9.127 72 1HE MET 8 3HE MET 8 10.078 -8.026 -8.026 73 2HE MET 8 1HE MET 8 9.923 -9.649 -9.649 74 3HE MET 8 2HE MET 8 10.629 -9.457 -9.457 75 HA PRO 9 HA PRO 9 1.005 -6.899 -6.899 76 1HB PRO 9 1HB PRO 9 0.383 -4.452 -4.452 77 2HB PRO 9 2HB PRO 9 0.718 -4.779 -4.779 78 1HG PRO 9 1HG PRO 9 2.624 -3.604 -3.604 79 2HG PRO 9 2HG PRO 9 2.446 -3.236 -3.236 80 1HD PRO 9 1HD PRO 9 4.460 -4.848 -4.848 81 2HD PRO 9 2HD PRO 9 3.555 -5.234 -5.234 82 H ILE 10 H ILE 10 -0.127 -7.991 -7.991 83 HA ILE 10 HA ILE 10 0.406 -7.941 -7.941 84 HB ILE 10 HB ILE 10 -1.148 -9.955 -9.955 85 1HG1 ILE 10 1HG1 ILE 10 1.598 -10.108 -10.108 86 2HG1 ILE 10 2HG1 ILE 10 1.253 -10.112 -10.112 87 1HG2 ILE 10 2HG2 ILE 10 -1.982 -9.629 -9.629 88 2HG2 ILE 10 3HG2 ILE 10 -0.361 -10.052 -10.052 89 3HG2 ILE 10 1HG2 ILE 10 -1.349 -11.234 -11.234 90 1HD1 ILE 10 1HD1 ILE 10 -0.031 -12.251 -12.251 91 2HD1 ILE 10 2HD1 ILE 10 0.582 -12.306 -12.306 92 3HD1 ILE 10 3HD1 ILE 10 1.712 -12.357 -12.357 93 H CYS 11 H CYS 11 -0.483 -5.864 -5.864 94 HA CYS 11 HA CYS 11 -3.230 -5.321 -5.321 95 1HB CYS 11 1HB CYS 11 -1.394 -3.817 -3.817 96 2HB CYS 11 2HB CYS 11 -2.998 -3.305 -3.305 97 H GLU 12 H GLU 12 -4.009 -7.247 -7.247 98 HA GLU 12 HA GLU 12 -5.350 -6.590 -6.590 99 1HB GLU 12 1HB GLU 12 -4.034 -9.338 -9.338 100 2HB GLU 12 2HB GLU 12 -5.280 -8.994 -8.994 101 1HG GLU 12 1HG GLU 12 -3.767 -7.187 -7.187 102 2HG GLU 12 2HG GLU 12 -2.479 -7.831 -7.831 103 H HIS 13 H HIS 13 -7.371 -7.789 -7.789 104 HA HIS 13 HA HIS 13 -8.309 -8.876 -8.876 105 1HB HIS 13 1HB HIS 13 -9.816 -7.126 -7.126 106 2HB HIS 13 2HB HIS 13 -10.508 -7.955 -7.955 107 HD1 HIS 13 HD1 HIS 13 -10.024 -6.938 -6.938 108 HD2 HIS 13 HD2 HIS 13 -7.935 -5.125 -5.125 109 HE1 HIS 13 HE1 HIS 13 -8.738 -4.971 -4.971 110 HE2 HIS 13 HE2 HIS 13 -7.439 -3.899 -3.899 111 H MET 14 H MET 14 -10.152 -10.437 -10.437 112 HA MET 14 HA MET 14 -9.843 -12.267 -12.267 113 1HB MET 14 1HB MET 14 -12.297 -11.614 -11.614 114 2HB MET 14 2HB MET 14 -12.043 -13.071 -13.071 115 1HG MET 14 1HG MET 14 -11.388 -13.848 -13.848 116 2HG MET 14 2HG MET 14 -9.829 -13.283 -13.283 117 1HE MET 14 1HE MET 14 -12.779 -12.968 -12.968 118 2HE MET 14 2HE MET 14 -12.400 -11.482 -11.482 119 3HE MET 14 3HE MET 14 -12.956 -11.389 -11.389 120 H THR 15 H THR 15 -11.449 -12.606 -12.606 121 HA THR 15 HA THR 15 -12.093 -10.298 -10.298 122 HB THR 15 HB THR 15 -13.571 -12.049 -12.049 123 HG1 THR 15 HG1 THR 15 -12.337 -13.735 -13.735 124 1HG2 THR 15 2HG2 THR 15 -11.240 -11.629 -11.629 125 2HG2 THR 15 3HG2 THR 15 -10.644 -12.828 -12.828 126 3HG2 THR 15 1HG2 THR 15 -11.684 -13.333 -13.333 127 H GLU 16 H GLU 16 -14.193 -12.591 -12.591 128 HA GLU 16 HA GLU 16 -16.421 -10.850 -10.850 129 1HB GLU 16 1HB GLU 16 -15.394 -13.327 -13.327 130 2HB GLU 16 2HB GLU 16 -16.970 -12.617 -12.617 131 1HG GLU 16 1HG GLU 16 -16.068 -13.637 -13.637 132 2HG GLU 16 2HG GLU 16 -16.899 -14.610 -14.610 133 H SER 17 H SER 17 -15.257 -8.863 -8.863 134 HA SER 17 HA SER 17 -15.141 -8.801 -8.801 135 1HB SER 17 1HB SER 17 -12.810 -9.353 -9.353 136 2HB SER 17 2HB SER 17 -12.773 -7.959 -7.959 137 HG SER 17 HG SER 17 -12.969 -6.591 -6.591 138 HA PRO 18 HA PRO 18 -16.494 -4.543 -4.543 139 1HB PRO 18 1HB PRO 18 -15.794 -3.326 -3.326 140 2HB PRO 18 2HB PRO 18 -17.279 -4.307 -4.307 141 1HG PRO 18 1HG PRO 18 -14.610 -5.187 -5.187 142 2HG PRO 18 2HG PRO 18 -16.234 -5.437 -5.437 143 1HD PRO 18 1HD PRO 18 -15.014 -7.359 -7.359 144 2HD PRO 18 2HD PRO 18 -16.762 -7.102 -7.102 145 H ASP 19 H ASP 19 -15.354 -2.498 -2.498 146 HA ASP 19 HA ASP 19 -12.590 -2.830 -2.830 147 1HB ASP 19 1HB ASP 19 -14.662 -0.610 -0.610 148 2HB ASP 19 2HB ASP 19 -13.039 -0.495 -0.495 149 H CYS 20 H CYS 20 -11.677 -0.189 -0.189 150 HA CYS 20 HA CYS 20 -10.891 -0.104 -0.104 151 1HB CYS 20 1HB CYS 20 -10.644 1.679 1.679 152 2HB CYS 20 2HB CYS 20 -10.608 2.481 2.481 153 H SER 21 H SER 21 -11.441 1.736 1.736 154 HA SER 21 HA SER 21 -12.779 2.958 2.958 155 1HB SER 21 1HB SER 21 -14.293 3.470 3.470 156 2HB SER 21 2HB SER 21 -14.503 4.386 4.386 157 HG SER 21 HG SER 21 -12.276 4.859 4.859 158 H ARG 22 H ARG 22 -14.938 3.324 3.324 159 HA ARG 22 HA ARG 22 -15.966 2.277 2.277 160 1HB ARG 22 1HB ARG 22 -17.282 1.210 1.210 161 2HB ARG 22 2HB ARG 22 -17.781 0.528 0.528 162 1HG ARG 22 1HG ARG 22 -17.542 3.526 3.526 163 2HG ARG 22 2HG ARG 22 -18.772 2.824 2.824 164 1HD ARG 22 1HD ARG 22 -19.742 3.259 3.259 165 2HD ARG 22 2HD ARG 22 -19.679 1.523 1.523 166 HE ARG 22 HE ARG 22 -17.471 2.816 2.816 167 1HH1 ARG 22 2HH2 ARG 22 -19.517 0.053 0.053 168 2HH1 ARG 22 1HH2 ARG 22 -20.274 0.346 0.346 169 1HH2 ARG 22 2HH1 ARG 22 -17.858 2.916 2.916 170 2HH2 ARG 22 1HH1 ARG 22 -19.035 1.828 1.828 171 H ILE 23 H ILE 23 -13.411 1.344 1.344 172 HA ILE 23 HA ILE 23 -13.650 -1.453 -1.453 173 HB ILE 23 HB ILE 23 -11.086 -0.307 -0.307 174 1HG1 ILE 23 1HG1 ILE 23 -13.039 -2.001 -2.001 175 2HG1 ILE 23 2HG1 ILE 23 -12.564 -0.321 -0.321 176 1HG2 ILE 23 3HG2 ILE 23 -11.305 -2.271 -2.271 177 2HG2 ILE 23 1HG2 ILE 23 -12.071 -3.178 -3.178 178 3HG2 ILE 23 2HG2 ILE 23 -10.392 -2.627 -2.627 179 1HD1 ILE 23 2HD1 ILE 23 -10.201 -0.984 -0.984 180 2HD1 ILE 23 3HD1 ILE 23 -10.677 -2.688 -2.688 181 3HD1 ILE 23 1HD1 ILE 23 -11.241 -1.708 -1.708 182 H TYR 24 H TYR 24 -14.092 -0.861 -0.861 183 HA TYR 24 HA TYR 24 -11.983 0.596 0.596 184 1HB TYR 24 1HB TYR 24 -14.441 0.987 0.987 185 2HB TYR 24 2HB TYR 24 -14.566 -0.688 -0.688 186 HD1 TYR 24 HD1 TYR 24 -12.627 -1.376 -1.376 187 HD2 TYR 24 HD2 TYR 24 -14.190 2.582 2.582 188 HE1 TYR 24 HE1 TYR 24 -11.889 -0.653 -0.653 189 HE2 TYR 24 HE2 TYR 24 -13.856 3.121 3.121 190 HH TYR 24 HH TYR 24 -12.766 2.568 2.568 191 H ASP 25 H ASP 25 -10.269 -0.852 -0.852 192 HA ASP 25 HA ASP 25 -10.521 -3.505 -3.505 193 1HB ASP 25 1HB ASP 25 -11.266 -3.837 -3.837 194 2HB ASP 25 2HB ASP 25 -9.685 -3.224 -3.224 195 HA PRO 26 HA PRO 26 -6.973 -0.560 -0.560 196 1HB PRO 26 1HB PRO 26 -6.400 -0.412 -0.412 197 2HB PRO 26 2HB PRO 26 -7.588 0.581 0.581 198 1HG PRO 26 1HG PRO 26 -8.093 -1.937 -1.937 199 2HG PRO 26 2HG PRO 26 -9.042 -0.416 -0.416 200 1HD PRO 26 1HD PRO 26 -9.831 -2.588 -2.588 201 2HD PRO 26 2HD PRO 26 -10.012 -0.935 -0.935 202 H VAL 27 H VAL 27 -4.714 -0.597 -0.597 203 HA VAL 27 HA VAL 27 -3.410 -2.932 -2.932 204 HB VAL 27 HB VAL 27 -2.118 -3.341 -3.341 205 1HG1 VAL 27 2HG1 VAL 27 -4.179 -4.733 -4.733 206 2HG1 VAL 27 3HG1 VAL 27 -5.086 -3.650 -3.650 207 3HG1 VAL 27 1HG1 VAL 27 -3.735 -4.600 -4.600 208 1HG2 VAL 27 2HG2 VAL 27 -2.402 -1.143 -1.143 209 2HG2 VAL 27 3HG2 VAL 27 -2.928 -2.452 -2.452 210 3HG2 VAL 27 1HG2 VAL 27 -4.132 -1.460 -1.460 211 H CYS 28 H CYS 28 -0.996 -2.445 -2.445 212 HA CYS 28 HA CYS 28 -0.561 0.521 0.521 213 1HB CYS 28 1HB CYS 28 -0.325 -0.637 -0.637 214 2HB CYS 28 2HB CYS 28 1.045 -1.570 -1.570 215 H GLY 29 H GLY 29 0.808 1.480 1.480 216 1HA GLY 29 1HA GLY 29 2.325 -0.112 -0.112 217 2HA GLY 29 2HA GLY 29 2.180 1.648 1.648 218 H THR 30 H THR 30 4.651 -0.097 -0.097 219 HA THR 30 HA THR 30 6.170 0.158 0.158 220 HB THR 30 HB THR 30 8.109 0.001 0.001 221 HG1 THR 30 HG1 THR 30 7.110 0.661 0.661 222 1HG2 THR 30 2HG2 THR 30 5.980 -2.145 -2.145 223 2HG2 THR 30 3HG2 THR 30 7.687 -2.352 -2.352 224 3HG2 THR 30 1HG2 THR 30 7.312 -1.895 -1.895 225 H ASP 31 H ASP 31 4.957 2.704 2.704 226 HA ASP 31 HA ASP 31 7.209 4.524 4.524 227 1HB ASP 31 1HB ASP 31 5.781 6.173 6.173 228 2HB ASP 31 2HB ASP 31 5.469 4.733 4.733 229 H GLY 32 H GLY 32 4.434 3.226 3.226 230 1HA GLY 32 1HA GLY 32 4.490 3.026 3.026 231 2HA GLY 32 2HA GLY 32 5.166 4.665 4.665 232 H VAL 33 H VAL 33 2.751 4.481 4.481 233 HA VAL 33 HA VAL 33 0.826 5.798 5.798 234 HB VAL 33 HB VAL 33 1.211 5.985 5.985 235 1HG1 VAL 33 3HG1 VAL 33 -0.671 7.480 7.480 236 2HG1 VAL 33 1HG1 VAL 33 -0.350 7.877 7.877 237 3HG1 VAL 33 2HG1 VAL 33 -1.144 6.349 6.349 238 1HG2 VAL 33 3HG2 VAL 33 1.845 7.809 7.809 239 2HG2 VAL 33 1HG2 VAL 33 3.025 7.116 7.116 240 3HG2 VAL 33 2HG2 VAL 33 1.900 8.362 8.362 241 H THR 34 H THR 34 -1.285 5.137 5.137 242 HA THR 34 HA THR 34 -1.804 2.337 2.337 243 HB THR 34 HB THR 34 -3.500 4.450 4.450 244 HG1 THR 34 HG1 THR 34 -1.534 3.709 3.709 245 1HG2 THR 34 3HG2 THR 34 -3.884 1.450 1.450 246 2HG2 THR 34 1HG2 THR 34 -4.821 2.481 2.481 247 3HG2 THR 34 2HG2 THR 34 -4.922 2.744 2.744 248 H TYR 35 H TYR 35 -2.770 1.810 1.810 249 HA TYR 35 HA TYR 35 -4.128 3.933 3.933 250 1HB TYR 35 1HB TYR 35 -2.667 1.411 1.411 251 2HB TYR 35 2HB TYR 35 -3.760 2.302 2.302 252 HD1 TYR 35 HD2 TYR 35 -3.331 4.750 4.750 253 HD2 TYR 35 HD1 TYR 35 -0.394 2.297 2.297 254 HE1 TYR 35 HE2 TYR 35 -1.586 6.426 6.426 255 HE2 TYR 35 HE1 TYR 35 1.380 3.893 3.893 256 HH TYR 35 HH TYR 35 0.644 6.905 6.905 257 H GLU 36 H GLU 36 -6.207 3.566 3.566 258 HA GLU 36 HA GLU 36 -7.644 1.898 1.898 259 1HB GLU 36 1HB GLU 36 -8.724 3.319 3.319 260 2HB GLU 36 2HB GLU 36 -9.608 2.833 2.833 261 1HG GLU 36 1HG GLU 36 -8.381 4.400 4.400 262 2HG GLU 36 2HG GLU 36 -7.299 4.869 4.869 263 H SER 37 H SER 37 -6.300 1.185 1.185 264 HA SER 37 HA SER 37 -7.163 -1.489 -1.489 265 1HB SER 37 1HB SER 37 -8.451 -1.198 -1.198 266 2HB SER 37 2HB SER 37 -9.260 -1.129 -1.129 267 HG SER 37 HG SER 37 -9.660 0.874 0.874 268 H GLU 38 H GLU 38 -6.300 -2.747 -2.747 269 HA GLU 38 HA GLU 38 -3.702 -2.127 -2.127 270 1HB GLU 38 1HB GLU 38 -4.853 -4.291 -4.291 271 2HB GLU 38 2HB GLU 38 -5.893 -3.889 -3.889 272 1HG GLU 38 1HG GLU 38 -4.581 -5.034 -5.034 273 2HG GLU 38 2HG GLU 38 -3.427 -3.739 -3.739 274 H CYS 39 H CYS 39 -6.804 -1.428 -1.428 275 HA CYS 39 HA CYS 39 -6.029 -0.438 -0.438 276 1HB CYS 39 1HB CYS 39 -8.385 -0.617 -0.617 277 2HB CYS 39 2HB CYS 39 -8.192 0.357 0.357 278 H LYS 40 H LYS 40 -6.534 1.484 1.484 279 HA LYS 40 HA LYS 40 -5.427 3.877 3.877 280 1HB LYS 40 1HB LYS 40 -5.894 3.175 3.175 281 2HB LYS 40 2HB LYS 40 -5.441 4.767 4.767 282 1HG LYS 40 1HG LYS 40 -7.529 4.666 4.666 283 2HG LYS 40 2HG LYS 40 -7.993 3.213 3.213 284 1HD LYS 40 1HD LYS 40 -9.189 4.956 4.956 285 2HD LYS 40 2HD LYS 40 -7.857 4.605 4.605 286 1HE LYS 40 1HE LYS 40 -6.632 6.596 6.596 287 2HE LYS 40 2HE LYS 40 -7.934 6.901 6.901 288 1HZ LYS 40 3HZ LYS 40 -9.416 7.281 7.281 289 2HZ LYS 40 1HZ LYS 40 -8.212 7.017 7.017 290 3HZ LYS 40 2HZ LYS 40 -8.104 8.287 8.287 291 H LEU 41 H LEU 41 -3.992 1.195 1.195 292 HA LEU 41 HA LEU 41 -1.507 2.518 2.518 293 1HB LEU 41 1HB LEU 41 -2.331 0.422 0.422 294 2HB LEU 41 2HB LEU 41 -1.923 -0.467 -0.467 295 HG LEU 41 HG LEU 41 0.210 1.288 1.288 296 1HD1 LEU 41 2HD1 LEU 41 -0.777 -1.353 -1.353 297 2HD1 LEU 41 3HD1 LEU 41 0.812 -0.659 -0.659 298 3HD1 LEU 41 1HD1 LEU 41 -0.675 0.190 0.190 299 1HD2 LEU 41 1HD2 LEU 41 0.561 -0.134 -0.134 300 2HD2 LEU 41 2HD2 LEU 41 1.734 -0.378 -0.378 301 3HD2 LEU 41 3HD2 LEU 41 0.453 -1.551 -1.551 302 H CYS 42 H CYS 42 -2.542 0.310 0.310 303 HA CYS 42 HA CYS 42 -0.192 0.781 0.781 304 1HB CYS 42 1HB CYS 42 -2.741 -0.493 -0.493 305 2HB CYS 42 2HB CYS 42 -2.096 0.421 0.421 306 H LEU 43 H LEU 43 -3.254 2.584 2.584 307 HA LEU 43 HA LEU 43 -2.563 4.463 4.463 308 1HB LEU 43 1HB LEU 43 -4.087 4.738 4.738 309 2HB LEU 43 2HB LEU 43 -4.011 6.031 6.031 310 HG LEU 43 HG LEU 43 -5.301 3.318 3.318 311 1HD1 LEU 43 2HD1 LEU 43 -6.574 5.011 5.011 312 2HD1 LEU 43 3HD1 LEU 43 -6.453 6.139 6.139 313 3HD1 LEU 43 1HD1 LEU 43 -7.347 4.616 4.616 314 1HD2 LEU 43 2HD2 LEU 43 -4.840 5.595 5.595 315 2HD2 LEU 43 3HD2 LEU 43 -4.343 3.891 3.891 316 3HD2 LEU 43 1HD2 LEU 43 -6.048 4.311 4.311 317 H ALA 44 H ALA 44 -1.764 4.605 4.605 318 HA ALA 44 HA ALA 44 -0.122 6.900 6.900 319 1HB ALA 44 1HB ALA 44 -0.955 6.110 6.110 320 2HB ALA 44 1HB ALA 44 0.049 4.645 4.645 321 3HB ALA 44 2HB ALA 44 0.819 6.243 6.243 322 H ARG 45 H ARG 45 0.767 3.431 3.431 323 HA ARG 45 HA ARG 45 3.569 3.747 3.747 324 1HB ARG 45 1HB ARG 45 1.791 1.838 1.838 325 2HB ARG 45 2HB ARG 45 3.545 1.788 1.788 326 1HG ARG 45 1HG ARG 45 3.505 1.413 1.413 327 2HG ARG 45 2HG ARG 45 1.751 1.479 1.479 328 1HD ARG 45 1HD ARG 45 2.046 -0.792 -0.792 329 2HD ARG 45 2HD ARG 45 1.906 -0.506 -0.506 330 HE ARG 45 HE ARG 45 4.228 -1.258 -1.258 331 1HH1 ARG 45 2HH2 ARG 45 3.262 -0.231 -0.231 332 2HH1 ARG 45 1HH2 ARG 45 4.523 -1.112 -1.112 333 1HH2 ARG 45 2HH1 ARG 45 5.921 -2.379 -2.379 334 2HH2 ARG 45 1HH1 ARG 45 5.880 -2.591 -2.591 335 H ILE 46 H ILE 46 1.046 3.988 3.988 336 HA ILE 46 HA ILE 46 2.786 4.589 4.589 337 HB ILE 46 HB ILE 46 -0.187 5.048 5.048 338 1HG1 ILE 46 1HG1 ILE 46 1.179 2.992 2.992 339 2HG1 ILE 46 2HG1 ILE 46 0.821 2.649 2.649 340 1HG2 ILE 46 2HG2 ILE 46 1.461 5.349 5.349 341 2HG2 ILE 46 3HG2 ILE 46 -0.310 5.301 5.301 342 3HG2 ILE 46 1HG2 ILE 46 0.536 6.628 6.628 343 1HD1 ILE 46 3HD1 ILE 46 -1.585 3.112 3.112 344 2HD1 ILE 46 1HD1 ILE 46 -1.251 3.318 3.318 345 3HD1 ILE 46 2HD1 ILE 46 -0.956 1.758 1.758 346 H GLU 47 H GLU 47 0.693 6.725 6.725 347 HA GLU 47 HA GLU 47 1.493 9.150 9.150 348 1HB GLU 47 1HB GLU 47 0.538 8.417 8.417 349 2HB GLU 47 2HB GLU 47 0.672 10.090 10.090 350 1HG GLU 47 1HG GLU 47 -0.949 9.801 9.801 351 2HG GLU 47 2HG GLU 47 -0.955 8.044 8.044 352 H ASN 48 H ASN 48 3.105 7.190 7.190 353 HA ASN 48 HA ASN 48 5.143 9.232 9.232 354 1HB ASN 48 1HB ASN 48 4.645 6.380 6.380 355 2HB ASN 48 2HB ASN 48 6.136 7.243 7.243 356 1HD2 ASN 48 2HD2 ASN 48 2.757 8.788 8.788 357 2HD2 ASN 48 1HD2 ASN 48 2.600 7.839 7.839 358 H LYS 49 H LYS 49 4.745 6.671 6.671 359 HA LYS 49 HA LYS 49 6.099 5.304 5.304 360 1HB LYS 49 1HB LYS 49 8.234 7.466 7.466 361 2HB LYS 49 2HB LYS 49 8.003 6.154 6.154 362 1HG LYS 49 1HG LYS 49 5.763 7.290 7.290 363 2HG LYS 49 2HG LYS 49 6.274 8.598 8.598 364 1HD LYS 49 1HD LYS 49 7.074 9.405 9.405 365 2HD LYS 49 2HD LYS 49 8.496 8.672 8.672 366 1HE LYS 49 1HE LYS 49 8.281 8.114 8.114 367 2HE LYS 49 2HE LYS 49 8.149 6.635 6.635 368 1HZ LYS 49 2HZ LYS 49 5.748 8.096 8.096 369 2HZ LYS 49 3HZ LYS 49 6.446 7.024 7.024 370 3HZ LYS 49 1HZ LYS 49 5.871 6.519 6.519 371 H GLN 50 H GLN 50 5.967 4.586 4.586 372 HA GLN 50 HA GLN 50 8.749 3.794 3.794 373 1HB GLN 50 1HB GLN 50 6.581 4.944 4.944 374 2HB GLN 50 2HB GLN 50 7.878 3.945 3.945 375 1HG GLN 50 1HG GLN 50 8.372 6.518 6.518 376 2HG GLN 50 2HG GLN 50 8.291 6.351 6.351 377 1HE2 GLN 50 2HE2 GLN 50 11.889 6.207 6.207 378 2HE2 GLN 50 1HE2 GLN 50 10.581 7.376 7.376 379 H ASP 51 H ASP 51 8.928 1.868 1.868 380 HA ASP 51 HA ASP 51 6.698 -0.023 -0.023 381 1HB ASP 51 1HB ASP 51 9.036 -0.620 -0.620 382 2HB ASP 51 2HB ASP 51 9.486 -0.512 -0.512 383 H ILE 52 H ILE 52 5.360 1.160 1.160 384 HA ILE 52 HA ILE 52 5.975 0.966 0.966 385 HB ILE 52 HB ILE 52 3.219 1.280 1.280 386 1HG1 ILE 52 1HG1 ILE 52 5.145 3.506 3.506 387 2HG1 ILE 52 2HG1 ILE 52 4.737 3.117 3.117 388 1HG2 ILE 52 3HG2 ILE 52 3.427 0.576 0.576 389 2HG2 ILE 52 1HG2 ILE 52 4.358 2.049 2.049 390 3HG2 ILE 52 2HG2 ILE 52 2.661 2.145 2.145 391 1HD1 ILE 52 2HD1 ILE 52 2.317 3.538 3.538 392 2HD1 ILE 52 3HD1 ILE 52 2.823 4.165 4.165 393 3HD1 ILE 52 1HD1 ILE 52 3.374 4.960 4.960 394 H GLN 53 H GLN 53 5.853 -0.893 -0.893 395 HA GLN 53 HA GLN 53 4.564 -3.309 -3.309 396 1HB GLN 53 1HB GLN 53 7.006 -2.757 -2.757 397 2HB GLN 53 2HB GLN 53 6.064 -4.155 -4.155 398 1HG GLN 53 1HG GLN 53 6.715 -3.727 -3.727 399 2HG GLN 53 2HG GLN 53 8.005 -4.240 -4.240 400 1HE2 GLN 53 2HE2 GLN 53 7.013 -7.510 -7.510 401 2HE2 GLN 53 1HE2 GLN 53 7.951 -6.131 -6.131 402 H ILE 54 H ILE 54 3.400 -4.602 -4.602 403 HA ILE 54 HA ILE 54 1.962 -2.975 -2.975 404 HB ILE 54 HB ILE 54 1.388 -5.625 -5.625 405 1HG1 ILE 54 1HG1 ILE 54 -0.303 -3.133 -3.133 406 2HG1 ILE 54 2HG1 ILE 54 0.756 -3.295 -3.295 407 1HG2 ILE 54 1HG2 ILE 54 0.090 -4.410 -4.410 408 2HG2 ILE 54 2HG2 ILE 54 -0.583 -5.766 -5.766 409 3HG2 ILE 54 3HG2 ILE 54 0.957 -5.957 -5.957 410 1HD1 ILE 54 3HD1 ILE 54 -1.625 -5.124 -5.124 411 2HD1 ILE 54 1HD1 ILE 54 -1.537 -3.807 -3.807 412 3HD1 ILE 54 2HD1 ILE 54 -0.486 -5.202 -5.202 413 H VAL 55 H VAL 55 2.715 -3.003 -3.003 414 HA VAL 55 HA VAL 55 4.988 -4.679 -4.679 415 HB VAL 55 HB VAL 55 3.084 -2.925 -2.925 416 1HG1 VAL 55 1HG1 VAL 55 4.379 -4.550 -4.550 417 2HG1 VAL 55 2HG1 VAL 55 5.880 -3.975 -3.975 418 3HG1 VAL 55 3HG1 VAL 55 4.923 -2.896 -2.896 419 1HG2 VAL 55 2HG2 VAL 55 4.280 -1.601 -1.601 420 2HG2 VAL 55 3HG2 VAL 55 4.702 -1.148 -1.148 421 3HG2 VAL 55 1HG2 VAL 55 5.814 -2.154 -2.154 422 H LYS 56 H LYS 56 1.540 -4.359 -4.359 423 HA LYS 56 HA LYS 56 0.915 -7.064 -7.064 424 1HB LYS 56 1HB LYS 56 0.571 -7.447 -7.447 425 2HB LYS 56 2HB LYS 56 2.264 -7.122 -7.122 426 1HG LYS 56 1HG LYS 56 2.108 -5.663 -5.663 427 2HG LYS 56 2HG LYS 56 1.369 -4.576 -4.576 428 1HD LYS 56 1HD LYS 56 -0.873 -5.915 -5.915 429 2HD LYS 56 2HD LYS 56 0.101 -6.374 -6.374 430 1HE LYS 56 1HE LYS 56 -1.313 -4.350 -4.350 431 2HE LYS 56 2HE LYS 56 0.415 -4.030 -4.030 432 1HZ LYS 56 3HZ LYS 56 -1.266 -3.441 -3.441 433 2HZ LYS 56 1HZ LYS 56 -1.014 -2.414 -2.414 434 3HZ LYS 56 2HZ LYS 56 0.287 -2.854 -2.854 435 H ASP 57 H ASP 57 -1.374 -7.250 -7.250 436 HA ASP 57 HA ASP 57 -2.869 -5.286 -5.286 437 1HB ASP 57 1HB ASP 57 -3.813 -7.453 -7.453 438 2HB ASP 57 2HB ASP 57 -4.812 -6.632 -6.632 439 H GLY 58 H GLY 58 -4.934 -4.318 -4.318 440 1HA GLY 58 1HA GLY 58 -6.045 -3.141 -3.141 441 2HA GLY 58 2HA GLY 58 -5.144 -3.921 -3.921 442 H GLU 59 H GLU 59 -5.486 -1.655 -1.655 443 HA GLU 59 HA GLU 59 -3.954 0.519 0.519 444 1HB GLU 59 1HB GLU 59 -5.076 0.286 0.286 445 2HB GLU 59 2HB GLU 59 -4.590 1.753 1.753 446 1HG GLU 59 1HG GLU 59 -6.352 1.220 1.220 447 2HG GLU 59 2HG GLU 59 -6.934 -0.080 -0.080 448 H CYS 60 H CYS 60 -2.026 1.439 1.439 449 HA CYS 60 HA CYS 60 -0.122 -0.589 -0.589 450 1HB CYS 60 1HB CYS 60 0.082 2.078 2.078 451 2HB CYS 60 2HB CYS 60 0.826 1.733 1.733 Start of MODEL 13 1 1H GLU 1 1HN GLU 1 18.638 -11.031 -11.031 2 2H GLU 1 2HN GLU 1 18.145 -9.900 -9.900 3 3H GLU 1 3HN GLU 1 18.280 -9.460 -9.460 4 HA GLU 1 HA GLU 1 16.039 -9.695 -9.695 5 1HB GLU 1 1HB GLU 1 16.386 -12.633 -12.633 6 2HB GLU 1 2HB GLU 1 15.093 -11.547 -11.547 7 1HG GLU 1 1HG GLU 1 17.893 -11.831 -11.831 8 2HG GLU 1 2HG GLU 1 16.359 -12.268 -12.268 9 H LYS 2 H LYS 2 17.422 -9.489 -9.489 10 HA LYS 2 HA LYS 2 17.089 -11.852 -11.852 11 1HB LYS 2 1HB LYS 2 17.985 -9.034 -9.034 12 2HB LYS 2 2HB LYS 2 17.891 -10.410 -10.410 13 1HG LYS 2 1HG LYS 2 19.438 -11.679 -11.679 14 2HG LYS 2 2HG LYS 2 19.587 -10.281 -10.281 15 1HD LYS 2 1HD LYS 2 20.318 -8.938 -8.938 16 2HD LYS 2 2HD LYS 2 20.481 -10.493 -10.493 17 1HE LYS 2 1HE LYS 2 21.931 -9.541 -9.541 18 2HE LYS 2 2HE LYS 2 22.649 -9.771 -9.771 19 1HZ LYS 2 2HZ LYS 2 21.602 -11.941 -11.941 20 2HZ LYS 2 3HZ LYS 2 23.165 -11.535 -11.535 21 3HZ LYS 2 1HZ LYS 2 22.285 -12.144 -12.144 22 H GLN 3 H GLN 3 15.954 -8.510 -8.510 23 HA GLN 3 HA GLN 3 14.064 -9.579 -9.579 24 1HB GLN 3 1HB GLN 3 14.395 -6.711 -6.711 25 2HB GLN 3 2HB GLN 3 13.525 -7.263 -7.263 26 1HG GLN 3 1HG GLN 3 15.666 -8.260 -8.260 27 2HG GLN 3 2HG GLN 3 16.534 -7.501 -7.501 28 1HE2 GLN 3 2HE2 GLN 3 16.261 -4.192 -4.192 29 2HE2 GLN 3 1HE2 GLN 3 16.341 -4.999 -4.999 30 H VAL 4 H VAL 4 12.417 -10.754 -10.754 31 HA VAL 4 HA VAL 4 10.554 -9.328 -9.328 32 HB VAL 4 HB VAL 4 11.527 -11.391 -11.391 33 1HG1 VAL 4 2HG1 VAL 4 11.798 -12.688 -12.688 34 2HG1 VAL 4 3HG1 VAL 4 10.045 -12.937 -12.937 35 3HG1 VAL 4 1HG1 VAL 4 10.977 -13.587 -13.587 36 1HG2 VAL 4 1HG2 VAL 4 9.250 -10.575 -10.575 37 2HG2 VAL 4 2HG2 VAL 4 9.505 -12.312 -12.312 38 3HG2 VAL 4 3HG2 VAL 4 8.546 -11.739 -11.739 39 H PHE 5 H PHE 5 10.477 -8.303 -8.303 40 HA PHE 5 HA PHE 5 8.704 -9.803 -9.803 41 1HB PHE 5 1HB PHE 5 10.341 -8.166 -8.166 42 2HB PHE 5 2HB PHE 5 9.496 -6.876 -6.876 43 HD1 PHE 5 1HD PHE 5 8.901 -9.609 -9.609 44 HD2 PHE 5 1HD PHE 5 7.738 -5.720 -5.720 45 HE1 PHE 5 2HE PHE 5 7.626 -9.225 -9.225 46 HE2 PHE 5 1HE PHE 5 6.543 -5.301 -5.301 47 HZ PHE 5 HZ PHE 5 6.533 -7.013 -7.013 48 H SER 6 H SER 6 8.404 -6.880 -6.880 49 HA SER 6 HA SER 6 5.523 -6.877 -6.877 50 1HB SER 6 1HB SER 6 5.876 -5.218 -5.218 51 2HB SER 6 2HB SER 6 6.536 -4.716 -4.716 52 HG SER 6 HG SER 6 8.135 -6.149 -6.149 53 H ARG 7 H ARG 7 4.093 -7.178 -7.178 54 HA ARG 7 HA ARG 7 4.966 -9.351 -9.351 55 1HB ARG 7 1HB ARG 7 2.640 -9.914 -9.914 56 2HB ARG 7 2HB ARG 7 3.123 -10.003 -10.003 57 1HG ARG 7 1HG ARG 7 1.965 -7.852 -7.852 58 2HG ARG 7 2HG ARG 7 1.472 -7.771 -7.771 59 1HD ARG 7 1HD ARG 7 0.226 -9.936 -9.936 60 2HD ARG 7 2HD ARG 7 0.779 -9.998 -9.998 61 HE ARG 7 HE ARG 7 -0.908 -8.680 -8.680 62 1HH1 ARG 7 2HH2 ARG 7 -0.645 -8.126 -8.126 63 2HH1 ARG 7 1HH2 ARG 7 -2.117 -7.174 -7.174 64 1HH2 ARG 7 2HH1 ARG 7 -2.996 -7.886 -7.886 65 2HH2 ARG 7 1HH1 ARG 7 -3.526 -7.205 -7.205 66 H MET 8 H MET 8 5.105 -8.779 -8.779 67 HA MET 8 HA MET 8 4.447 -6.037 -6.037 68 1HB MET 8 1HB MET 8 5.086 -6.663 -6.663 69 2HB MET 8 2HB MET 8 6.322 -7.092 -7.092 70 1HG MET 8 1HG MET 8 5.708 -9.443 -9.443 71 2HG MET 8 2HG MET 8 4.314 -9.067 -9.067 72 1HE MET 8 1HE MET 8 8.181 -8.787 -8.787 73 2HE MET 8 2HE MET 8 8.630 -8.573 -8.573 74 3HE MET 8 3HE MET 8 7.781 -7.274 -7.274 75 HA PRO 9 HA PRO 9 0.198 -7.026 -7.026 76 1HB PRO 9 1HB PRO 9 -0.597 -4.850 -4.850 77 2HB PRO 9 2HB PRO 9 -0.330 -4.819 -4.819 78 1HG PRO 9 1HG PRO 9 1.558 -3.888 -3.888 79 2HG PRO 9 2HG PRO 9 1.177 -3.099 -3.099 80 1HD PRO 9 1HD PRO 9 3.420 -4.642 -4.642 81 2HD PRO 9 2HD PRO 9 2.586 -4.539 -4.539 82 H ILE 10 H ILE 10 -1.128 -7.731 -7.731 83 HA ILE 10 HA ILE 10 0.281 -8.473 -8.473 84 HB ILE 10 HB ILE 10 -2.555 -9.108 -9.108 85 1HG1 ILE 10 1HG1 ILE 10 0.029 -10.708 -10.708 86 2HG1 ILE 10 2HG1 ILE 10 -0.984 -10.146 -10.146 87 1HG2 ILE 10 3HG2 ILE 10 -2.082 -9.106 -9.106 88 2HG2 ILE 10 1HG2 ILE 10 -0.777 -10.274 -10.274 89 3HG2 ILE 10 2HG2 ILE 10 -2.471 -10.701 -10.701 90 1HD1 ILE 10 2HD1 ILE 10 -2.859 -11.570 -11.570 91 2HD1 ILE 10 3HD1 ILE 10 -1.682 -12.273 -12.273 92 3HD1 ILE 10 1HD1 ILE 10 -1.448 -12.462 -12.462 93 H CYS 11 H CYS 11 0.631 -6.212 -6.212 94 HA CYS 11 HA CYS 11 -1.800 -4.861 -4.861 95 1HB CYS 11 1HB CYS 11 0.403 -3.776 -3.776 96 2HB CYS 11 2HB CYS 11 -0.334 -2.729 -2.729 97 H GLU 12 H GLU 12 -1.602 -4.763 -4.763 98 HA GLU 12 HA GLU 12 0.816 -3.729 -3.729 99 1HB GLU 12 1HB GLU 12 1.299 -6.187 -6.187 100 2HB GLU 12 2HB GLU 12 -0.211 -6.487 -6.487 101 1HG GLU 12 1HG GLU 12 1.844 -6.519 -6.519 102 2HG GLU 12 2HG GLU 12 0.659 -5.319 -5.319 103 H HIS 13 H HIS 13 0.427 -2.866 -2.866 104 HA HIS 13 HA HIS 13 -1.017 -1.097 -1.097 105 1HB HIS 13 1HB HIS 13 -0.845 -3.462 -3.462 106 2HB HIS 13 2HB HIS 13 -1.873 -2.121 -2.121 107 HD1 HIS 13 HD1 HIS 13 1.798 -2.415 -2.415 108 HD2 HIS 13 HD2 HIS 13 -0.848 -0.032 -0.032 109 HE1 HIS 13 HE1 HIS 13 3.174 -0.452 -0.452 110 HE2 HIS 13 HE2 HIS 13 1.527 1.001 1.001 111 H MET 14 H MET 14 -3.232 -3.616 -3.616 112 HA MET 14 HA MET 14 -5.451 -1.798 -1.798 113 1HB MET 14 1HB MET 14 -5.316 -4.074 -4.074 114 2HB MET 14 2HB MET 14 -6.724 -3.066 -3.066 115 1HG MET 14 1HG MET 14 -5.296 -1.033 -1.033 116 2HG MET 14 2HG MET 14 -4.063 -2.148 -2.148 117 1HE MET 14 2HE MET 14 -5.922 -4.372 -4.372 118 2HE MET 14 3HE MET 14 -5.929 -3.714 -3.714 119 3HE MET 14 1HE MET 14 -4.422 -3.718 -3.718 120 H THR 15 H THR 15 -4.004 -3.434 -3.434 121 HA THR 15 HA THR 15 -6.262 -4.543 -4.543 122 HB THR 15 HB THR 15 -4.123 -6.558 -6.558 123 HG1 THR 15 HG1 THR 15 -5.496 -6.314 -6.314 124 1HG2 THR 15 3HG2 THR 15 -7.091 -6.678 -6.678 125 2HG2 THR 15 1HG2 THR 15 -6.028 -8.076 -8.076 126 3HG2 THR 15 2HG2 THR 15 -6.362 -6.922 -6.922 127 H GLU 16 H GLU 16 -4.258 -2.288 -2.288 128 HA GLU 16 HA GLU 16 -2.697 -2.955 -2.955 129 1HB GLU 16 1HB GLU 16 -3.392 -0.317 -0.317 130 2HB GLU 16 2HB GLU 16 -2.392 -0.497 -0.497 131 1HG GLU 16 1HG GLU 16 -0.903 -2.101 -2.101 132 2HG GLU 16 2HG GLU 16 -1.838 -1.678 -1.678 133 H SER 17 H SER 17 -4.628 -4.073 -4.073 134 HA SER 17 HA SER 17 -6.521 -4.240 -4.240 135 1HB SER 17 1HB SER 17 -6.217 -2.927 -2.927 136 2HB SER 17 2HB SER 17 -4.886 -4.008 -4.008 137 HG SER 17 HG SER 17 -4.975 -1.252 -1.252 138 HA PRO 18 HA PRO 18 -8.747 -0.397 -0.397 139 1HB PRO 18 1HB PRO 18 -10.625 -1.494 -1.494 140 2HB PRO 18 2HB PRO 18 -8.968 -1.089 -1.089 141 1HG PRO 18 1HG PRO 18 -9.974 -3.800 -3.800 142 2HG PRO 18 2HG PRO 18 -9.089 -3.419 -3.419 143 1HD PRO 18 1HD PRO 18 -7.753 -4.334 -4.334 144 2HD PRO 18 2HD PRO 18 -7.072 -3.012 -3.012 145 H ASP 19 H ASP 19 -8.903 -1.535 -1.535 146 HA ASP 19 HA ASP 19 -11.747 -2.185 -2.185 147 1HB ASP 19 1HB ASP 19 -10.975 -2.822 -2.822 148 2HB ASP 19 2HB ASP 19 -10.128 -3.739 -3.739 149 H CYS 20 H CYS 20 -10.736 0.383 0.383 150 HA CYS 20 HA CYS 20 -11.341 2.182 2.182 151 1HB CYS 20 1HB CYS 20 -10.751 2.625 2.625 152 2HB CYS 20 2HB CYS 20 -11.674 3.811 3.811 153 H SER 21 H SER 21 -13.225 0.783 0.783 154 HA SER 21 HA SER 21 -15.630 1.833 1.833 155 1HB SER 21 1HB SER 21 -15.331 -1.069 -1.069 156 2HB SER 21 2HB SER 21 -16.632 -0.358 -0.358 157 HG SER 21 HG SER 21 -15.356 -0.428 -0.428 158 H ARG 22 H ARG 22 -14.332 2.784 2.784 159 HA ARG 22 HA ARG 22 -14.254 3.042 3.042 160 1HB ARG 22 1HB ARG 22 -17.187 3.086 3.086 161 2HB ARG 22 2HB ARG 22 -16.439 3.720 3.720 162 1HG ARG 22 1HG ARG 22 -14.927 5.099 5.099 163 2HG ARG 22 2HG ARG 22 -16.001 4.633 4.633 164 1HD ARG 22 1HD ARG 22 -16.434 6.891 6.891 165 2HD ARG 22 2HD ARG 22 -17.852 5.875 5.875 166 HE ARG 22 HE ARG 22 -16.026 6.815 6.815 167 1HH1 ARG 22 2HH2 ARG 22 -18.738 4.757 4.757 168 2HH1 ARG 22 1HH2 ARG 22 -19.422 4.614 4.614 169 1HH2 ARG 22 2HH1 ARG 22 -16.896 6.714 6.714 170 2HH2 ARG 22 1HH1 ARG 22 -18.309 5.772 5.772 171 H ILE 23 H ILE 23 -13.855 0.430 0.430 172 HA ILE 23 HA ILE 23 -15.145 -1.272 -1.272 173 HB ILE 23 HB ILE 23 -12.730 -1.499 -1.499 174 1HG1 ILE 23 1HG1 ILE 23 -15.375 -3.014 -3.014 175 2HG1 ILE 23 2HG1 ILE 23 -15.151 -1.520 -1.520 176 1HG2 ILE 23 1HG2 ILE 23 -13.876 -3.621 -3.621 177 2HG2 ILE 23 2HG2 ILE 23 -12.638 -3.892 -3.892 178 3HG2 ILE 23 3HG2 ILE 23 -12.269 -2.869 -2.869 179 1HD1 ILE 23 1HD1 ILE 23 -13.323 -2.502 -2.502 180 2HD1 ILE 23 2HD1 ILE 23 -13.557 -4.060 -4.060 181 3HD1 ILE 23 3HD1 ILE 23 -14.846 -3.391 -3.391 182 H TYR 24 H TYR 24 -14.209 -1.743 -1.743 183 HA TYR 24 HA TYR 24 -11.778 -0.209 -0.209 184 1HB TYR 24 1HB TYR 24 -13.876 0.641 0.641 185 2HB TYR 24 2HB TYR 24 -14.135 -0.950 -0.950 186 HD1 TYR 24 HD1 TYR 24 -11.875 2.014 2.014 187 HD2 TYR 24 HD2 TYR 24 -12.843 -1.645 -1.645 188 HE1 TYR 24 HE1 TYR 24 -10.346 2.647 2.647 189 HE2 TYR 24 HE2 TYR 24 -11.338 -0.996 -0.996 190 HH TYR 24 HH TYR 24 -9.799 0.566 0.566 191 H ASP 25 H ASP 25 -10.341 -1.825 -1.825 192 HA ASP 25 HA ASP 25 -10.406 -4.155 -4.155 193 1HB ASP 25 1HB ASP 25 -11.307 -5.024 -5.024 194 2HB ASP 25 2HB ASP 25 -9.856 -4.461 -4.461 195 HA PRO 26 HA PRO 26 -7.122 -1.095 -1.095 196 1HB PRO 26 1HB PRO 26 -6.195 -0.861 -0.861 197 2HB PRO 26 2HB PRO 26 -7.582 0.004 0.004 198 1HG PRO 26 1HG PRO 26 -7.634 -2.559 -2.559 199 2HG PRO 26 2HG PRO 26 -8.686 -1.136 -1.136 200 1HD PRO 26 1HD PRO 26 -9.478 -3.344 -3.344 201 2HD PRO 26 2HD PRO 26 -9.881 -1.725 -1.725 202 H VAL 27 H VAL 27 -4.818 -0.898 -0.898 203 HA VAL 27 HA VAL 27 -3.197 -3.195 -3.195 204 HB VAL 27 HB VAL 27 -1.978 -3.198 -3.198 205 1HG1 VAL 27 2HG1 VAL 27 -3.649 -4.952 -4.952 206 2HG1 VAL 27 3HG1 VAL 27 -4.910 -3.935 -3.935 207 3HG1 VAL 27 1HG1 VAL 27 -3.587 -4.549 -4.549 208 1HG2 VAL 27 1HG2 VAL 27 -2.679 -0.989 -0.989 209 2HG2 VAL 27 2HG2 VAL 27 -3.028 -2.296 -2.296 210 3HG2 VAL 27 3HG2 VAL 27 -4.344 -1.588 -1.588 211 H CYS 28 H CYS 28 -1.052 -2.605 -2.605 212 HA CYS 28 HA CYS 28 -0.516 0.323 0.323 213 1HB CYS 28 1HB CYS 28 -0.135 -1.052 -1.052 214 2HB CYS 28 2HB CYS 28 0.915 -2.129 -2.129 215 H GLY 29 H GLY 29 0.598 1.261 1.261 216 1HA GLY 29 1HA GLY 29 2.293 -0.395 -0.395 217 2HA GLY 29 2HA GLY 29 1.953 1.325 1.325 218 H THR 30 H THR 30 4.554 -0.152 -0.152 219 HA THR 30 HA THR 30 6.087 0.315 0.315 220 HB THR 30 HB THR 30 7.940 0.506 0.506 221 HG1 THR 30 HG1 THR 30 5.772 -0.820 -0.820 222 1HG2 THR 30 2HG2 THR 30 6.355 -2.036 -2.036 223 2HG2 THR 30 3HG2 THR 30 7.946 -1.941 -1.941 224 3HG2 THR 30 1HG2 THR 30 7.763 -1.430 -1.430 225 H ASP 31 H ASP 31 4.747 2.697 2.697 226 HA ASP 31 HA ASP 31 6.842 4.687 4.687 227 1HB ASP 31 1HB ASP 31 5.439 6.106 6.106 228 2HB ASP 31 2HB ASP 31 5.312 4.542 4.542 229 H GLY 32 H GLY 32 4.242 3.340 3.340 230 1HA GLY 32 1HA GLY 32 3.903 3.730 3.730 231 2HA GLY 32 2HA GLY 32 4.713 5.300 5.300 232 H VAL 33 H VAL 33 2.083 3.979 3.979 233 HA VAL 33 HA VAL 33 0.135 5.754 5.754 234 HB VAL 33 HB VAL 33 0.672 5.529 5.529 235 1HG1 VAL 33 3HG1 VAL 33 -1.818 6.658 6.658 236 2HG1 VAL 33 1HG1 VAL 33 -1.396 6.893 6.893 237 3HG1 VAL 33 2HG1 VAL 33 -1.763 5.273 5.273 238 1HG2 VAL 33 1HG2 VAL 33 1.891 7.324 7.324 239 2HG2 VAL 33 2HG2 VAL 33 0.682 8.018 8.018 240 3HG2 VAL 33 3HG2 VAL 33 0.344 7.916 7.916 241 H THR 34 H THR 34 -1.745 4.768 4.768 242 HA THR 34 HA THR 34 -2.086 1.931 1.931 243 HB THR 34 HB THR 34 -3.581 3.752 3.752 244 HG1 THR 34 HG1 THR 34 -1.656 1.686 1.686 245 1HG2 THR 34 3HG2 THR 34 -4.043 0.823 0.823 246 2HG2 THR 34 1HG2 THR 34 -4.769 1.664 1.664 247 3HG2 THR 34 2HG2 THR 34 -5.165 2.171 2.171 248 H TYR 35 H TYR 35 -3.174 1.554 1.554 249 HA TYR 35 HA TYR 35 -4.855 3.706 3.706 250 1HB TYR 35 1HB TYR 35 -3.687 1.211 1.211 251 2HB TYR 35 2HB TYR 35 -4.645 2.442 2.442 252 HD1 TYR 35 HD2 TYR 35 -1.386 1.731 1.731 253 HD2 TYR 35 HD1 TYR 35 -3.683 4.699 4.699 254 HE1 TYR 35 HE2 TYR 35 0.671 3.029 3.029 255 HE2 TYR 35 HE1 TYR 35 -1.597 5.943 5.943 256 HH TYR 35 HH TYR 35 1.588 4.770 4.770 257 H GLU 36 H GLU 36 -7.002 3.402 3.402 258 HA GLU 36 HA GLU 36 -8.294 1.499 1.499 259 1HB GLU 36 1HB GLU 36 -9.363 3.037 3.037 260 2HB GLU 36 2HB GLU 36 -10.359 2.333 2.333 261 1HG GLU 36 1HG GLU 36 -9.624 3.867 3.867 262 2HG GLU 36 2HG GLU 36 -8.228 4.402 4.402 263 H SER 37 H SER 37 -7.366 1.309 1.309 264 HA SER 37 HA SER 37 -7.816 -1.513 -1.513 265 1HB SER 37 1HB SER 37 -9.326 -1.592 -1.592 266 2HB SER 37 2HB SER 37 -10.097 -0.737 -0.737 267 HG SER 37 HG SER 37 -9.350 0.096 0.096 268 H GLU 38 H GLU 38 -6.720 -2.422 -2.422 269 HA GLU 38 HA GLU 38 -4.189 -1.247 -1.247 270 1HB GLU 38 1HB GLU 38 -5.550 -3.278 -3.278 271 2HB GLU 38 2HB GLU 38 -3.852 -2.814 -2.814 272 1HG GLU 38 1HG GLU 38 -3.483 -3.553 -3.553 273 2HG GLU 38 2HG GLU 38 -5.153 -4.142 -4.142 274 H CYS 39 H CYS 39 -7.084 -0.600 -0.600 275 HA CYS 39 HA CYS 39 -5.996 0.376 0.376 276 1HB CYS 39 1HB CYS 39 -8.430 0.468 0.468 277 2HB CYS 39 2HB CYS 39 -8.183 1.664 1.664 278 H LYS 40 H LYS 40 -6.220 2.157 2.157 279 HA LYS 40 HA LYS 40 -5.046 4.537 4.537 280 1HB LYS 40 1HB LYS 40 -5.736 4.033 4.033 281 2HB LYS 40 2HB LYS 40 -5.127 5.546 5.546 282 1HG LYS 40 1HG LYS 40 -7.308 6.086 6.086 283 2HG LYS 40 2HG LYS 40 -7.169 5.141 5.141 284 1HD LYS 40 1HD LYS 40 -9.109 4.273 4.273 285 2HD LYS 40 2HD LYS 40 -7.921 3.082 3.082 286 1HE LYS 40 1HE LYS 40 -9.441 3.624 3.624 287 2HE LYS 40 2HE LYS 40 -7.791 4.075 4.075 288 1HZ LYS 40 2HZ LYS 40 -9.707 6.027 6.027 289 2HZ LYS 40 3HZ LYS 40 -9.629 5.700 5.700 290 3HZ LYS 40 1HZ LYS 40 -8.343 6.340 6.340 291 H LEU 41 H LEU 41 -3.835 1.753 1.753 292 HA LEU 41 HA LEU 41 -1.215 2.839 2.839 293 1HB LEU 41 1HB LEU 41 -2.144 0.836 0.836 294 2HB LEU 41 2HB LEU 41 -2.116 -0.053 -0.053 295 HG LEU 41 HG LEU 41 0.458 1.179 1.179 296 1HD1 LEU 41 2HD1 LEU 41 -0.822 -1.391 -1.391 297 2HD1 LEU 41 3HD1 LEU 41 0.873 -0.925 -0.925 298 3HD1 LEU 41 1HD1 LEU 41 -0.445 0.032 0.032 299 1HD2 LEU 41 3HD2 LEU 41 -0.262 -1.400 -1.400 300 2HD2 LEU 41 1HD2 LEU 41 0.492 0.034 0.034 301 3HD2 LEU 41 2HD2 LEU 41 1.376 -0.924 -0.924 302 H CYS 42 H CYS 42 -2.549 0.787 0.787 303 HA CYS 42 HA CYS 42 -0.072 0.918 0.918 304 1HB CYS 42 1HB CYS 42 -2.775 -0.070 -0.070 305 2HB CYS 42 2HB CYS 42 -1.284 -0.136 -0.136 306 H LEU 43 H LEU 43 -3.029 2.884 2.884 307 HA LEU 43 HA LEU 43 -2.186 4.583 4.583 308 1HB LEU 43 1HB LEU 43 -3.687 5.058 5.058 309 2HB LEU 43 2HB LEU 43 -3.392 6.373 6.373 310 HG LEU 43 HG LEU 43 -4.882 3.861 3.861 311 1HD1 LEU 43 1HD1 LEU 43 -5.950 6.556 6.556 312 2HD1 LEU 43 2HD1 LEU 43 -6.926 5.328 5.328 313 3HD1 LEU 43 3HD1 LEU 43 -6.243 4.988 4.988 314 1HD2 LEU 43 2HD2 LEU 43 -4.688 6.644 6.644 315 2HD2 LEU 43 3HD2 LEU 43 -3.882 5.185 5.185 316 3HD2 LEU 43 1HD2 LEU 43 -5.638 5.276 5.276 317 H ALA 44 H ALA 44 -1.346 4.649 4.649 318 HA ALA 44 HA ALA 44 0.392 6.892 6.892 319 1HB ALA 44 1HB ALA 44 -0.444 6.238 6.238 320 2HB ALA 44 1HB ALA 44 0.463 4.718 4.718 321 3HB ALA 44 2HB ALA 44 1.325 6.261 6.261 322 H ARG 45 H ARG 45 0.962 3.389 3.389 323 HA ARG 45 HA ARG 45 3.777 3.606 3.606 324 1HB ARG 45 1HB ARG 45 1.871 1.701 1.701 325 2HB ARG 45 2HB ARG 45 3.626 1.631 1.631 326 1HG ARG 45 1HG ARG 45 3.707 1.244 1.244 327 2HG ARG 45 2HG ARG 45 1.987 1.522 1.522 328 1HD ARG 45 1HD ARG 45 2.393 -0.881 -0.881 329 2HD ARG 45 2HD ARG 45 1.465 -0.471 -0.471 330 HE ARG 45 HE ARG 45 3.154 -0.796 -0.796 331 1HH1 ARG 45 2HH2 ARG 45 4.153 -1.762 -1.762 332 2HH1 ARG 45 1HH2 ARG 45 5.469 -2.742 -2.742 333 1HH2 ARG 45 2HH1 ARG 45 4.505 -2.543 -2.543 334 2HH2 ARG 45 1HH1 ARG 45 5.818 -2.995 -2.995 335 H ILE 46 H ILE 46 1.022 4.398 4.398 336 HA ILE 46 HA ILE 46 2.821 4.945 4.945 337 HB ILE 46 HB ILE 46 0.082 6.176 6.176 338 1HG1 ILE 46 1HG1 ILE 46 0.514 3.679 3.679 339 2HG1 ILE 46 2HG1 ILE 46 0.005 3.611 3.611 340 1HG2 ILE 46 3HG2 ILE 46 1.503 7.202 7.202 341 2HG2 ILE 46 1HG2 ILE 46 1.547 5.623 5.623 342 3HG2 ILE 46 2HG2 ILE 46 0.014 6.496 6.496 343 1HD1 ILE 46 3HD1 ILE 46 -1.887 5.207 5.207 344 2HD1 ILE 46 1HD1 ILE 46 -1.508 4.791 4.791 345 3HD1 ILE 46 2HD1 ILE 46 -1.998 3.533 3.533 346 H GLU 47 H GLU 47 1.086 7.016 7.016 347 HA GLU 47 HA GLU 47 2.027 9.494 9.494 348 1HB GLU 47 1HB GLU 47 1.632 8.413 8.413 349 2HB GLU 47 2HB GLU 47 1.670 10.109 10.109 350 1HG GLU 47 1HG GLU 47 -0.415 8.344 8.344 351 2HG GLU 47 2HG GLU 47 -0.624 8.894 8.894 352 H ASN 48 H ASN 48 3.576 7.153 7.153 353 HA ASN 48 HA ASN 48 5.833 8.917 8.917 354 1HB ASN 48 1HB ASN 48 5.115 6.123 6.123 355 2HB ASN 48 2HB ASN 48 6.530 7.030 7.030 356 1HD2 ASN 48 2HD2 ASN 48 3.265 9.072 9.072 357 2HD2 ASN 48 1HD2 ASN 48 3.548 8.901 8.901 358 H LYS 49 H LYS 49 5.173 6.183 6.183 359 HA LYS 49 HA LYS 49 6.466 4.594 4.594 360 1HB LYS 49 1HB LYS 49 8.335 6.930 6.930 361 2HB LYS 49 2HB LYS 49 8.442 5.328 5.328 362 1HG LYS 49 1HG LYS 49 6.119 5.587 5.587 363 2HG LYS 49 2HG LYS 49 6.119 7.266 7.266 364 1HD LYS 49 1HD LYS 49 7.969 7.857 7.857 365 2HD LYS 49 2HD LYS 49 8.339 6.195 6.195 366 1HE LYS 49 1HE LYS 49 5.697 7.547 7.547 367 2HE LYS 49 2HE LYS 49 7.152 7.578 7.578 368 1HZ LYS 49 1HZ LYS 49 7.166 5.198 5.198 369 2HZ LYS 49 2HZ LYS 49 5.754 5.091 5.091 370 3HZ LYS 49 3HZ LYS 49 5.815 5.830 5.830 371 H GLN 50 H GLN 50 6.650 4.584 4.584 372 HA GLN 50 HA GLN 50 9.334 3.315 3.315 373 1HB GLN 50 1HB GLN 50 7.791 4.513 4.513 374 2HB GLN 50 2HB GLN 50 9.362 3.718 3.718 375 1HG GLN 50 1HG GLN 50 8.653 6.483 6.483 376 2HG GLN 50 2HG GLN 50 9.896 5.978 5.978 377 1HE2 GLN 50 2HE2 GLN 50 10.915 6.845 6.845 378 2HE2 GLN 50 1HE2 GLN 50 9.500 7.365 7.365 379 H ASP 51 H ASP 51 9.201 1.244 1.244 380 HA ASP 51 HA ASP 51 6.683 -0.049 -0.049 381 1HB ASP 51 1HB ASP 51 8.972 -1.040 -1.040 382 2HB ASP 51 2HB ASP 51 9.168 -1.334 -1.334 383 H ILE 52 H ILE 52 5.371 1.004 1.004 384 HA ILE 52 HA ILE 52 5.920 0.718 0.718 385 HB ILE 52 HB ILE 52 3.183 1.102 1.102 386 1HG1 ILE 52 1HG1 ILE 52 5.205 3.185 3.185 387 2HG1 ILE 52 2HG1 ILE 52 4.841 2.856 2.856 388 1HG2 ILE 52 3HG2 ILE 52 3.165 0.364 0.364 389 2HG2 ILE 52 1HG2 ILE 52 4.233 1.720 1.720 390 3HG2 ILE 52 2HG2 ILE 52 2.588 2.015 2.015 391 1HD1 ILE 52 3HD1 ILE 52 2.448 3.443 3.443 392 2HD1 ILE 52 1HD1 ILE 52 2.934 4.029 4.029 393 3HD1 ILE 52 2HD1 ILE 52 3.604 4.782 4.782 394 H GLN 53 H GLN 53 6.134 -1.171 -1.171 395 HA GLN 53 HA GLN 53 4.665 -3.582 -3.582 396 1HB GLN 53 1HB GLN 53 7.256 -3.229 -3.229 397 2HB GLN 53 2HB GLN 53 6.720 -3.613 -3.613 398 1HG GLN 53 1HG GLN 53 6.034 -5.864 -5.864 399 2HG GLN 53 2HG GLN 53 6.082 -5.333 -5.333 400 1HE2 GLN 53 2HE2 GLN 53 9.223 -7.304 -7.304 401 2HE2 GLN 53 1HE2 GLN 53 7.618 -7.573 -7.573 402 H ILE 54 H ILE 54 3.480 -4.740 -4.740 403 HA ILE 54 HA ILE 54 2.150 -2.931 -2.931 404 HB ILE 54 HB ILE 54 1.480 -5.643 -5.643 405 1HG1 ILE 54 1HG1 ILE 54 -0.088 -3.045 -3.045 406 2HG1 ILE 54 2HG1 ILE 54 1.073 -3.407 -3.407 407 1HG2 ILE 54 2HG2 ILE 54 0.149 -4.143 -4.143 408 2HG2 ILE 54 3HG2 ILE 54 -0.618 -5.485 -5.485 409 3HG2 ILE 54 1HG2 ILE 54 0.849 -5.777 -5.777 410 1HD1 ILE 54 3HD1 ILE 54 -0.182 -5.456 -5.456 411 2HD1 ILE 54 1HD1 ILE 54 -1.432 -5.001 -5.001 412 3HD1 ILE 54 2HD1 ILE 54 -1.115 -3.962 -3.962 413 H VAL 55 H VAL 55 2.949 -2.882 -2.882 414 HA VAL 55 HA VAL 55 5.045 -4.723 -4.723 415 HB VAL 55 HB VAL 55 3.547 -2.623 -2.623 416 1HG1 VAL 55 2HG1 VAL 55 6.184 -4.115 -4.115 417 2HG1 VAL 55 3HG1 VAL 55 5.815 -2.669 -2.669 418 3HG1 VAL 55 1HG1 VAL 55 4.806 -4.114 -4.114 419 1HG2 VAL 55 2HG2 VAL 55 4.624 -1.613 -1.613 420 2HG2 VAL 55 3HG2 VAL 55 5.417 -1.132 -1.132 421 3HG2 VAL 55 1HG2 VAL 55 6.156 -2.385 -2.385 422 H LYS 56 H LYS 56 1.589 -4.255 -4.255 423 HA LYS 56 HA LYS 56 1.233 -6.982 -6.982 424 1HB LYS 56 1HB LYS 56 0.396 -7.228 -7.228 425 2HB LYS 56 2HB LYS 56 2.107 -6.829 -6.829 426 1HG LYS 56 1HG LYS 56 -0.044 -4.707 -4.707 427 2HG LYS 56 2HG LYS 56 0.492 -5.805 -5.805 428 1HD LYS 56 1HD LYS 56 2.836 -5.000 -5.000 429 2HD LYS 56 2HD LYS 56 2.250 -3.782 -3.782 430 1HE LYS 56 1HE LYS 56 0.782 -2.797 -2.797 431 2HE LYS 56 2HE LYS 56 1.135 -4.059 -4.059 432 1HZ LYS 56 2HZ LYS 56 3.118 -2.144 -2.144 433 2HZ LYS 56 3HZ LYS 56 2.309 -2.021 -2.021 434 3HZ LYS 56 1HZ LYS 56 3.336 -3.283 -3.283 435 H ASP 57 H ASP 57 -1.034 -7.520 -7.520 436 HA ASP 57 HA ASP 57 -2.953 -5.742 -5.742 437 1HB ASP 57 1HB ASP 57 -3.278 -8.263 -8.263 438 2HB ASP 57 2HB ASP 57 -4.605 -7.349 -7.349 439 H GLY 58 H GLY 58 -4.553 -4.573 -4.573 440 1HA GLY 58 1HA GLY 58 -5.556 -3.230 -3.230 441 2HA GLY 58 2HA GLY 58 -4.924 -4.156 -4.156 442 H GLU 59 H GLU 59 -4.661 -1.996 -1.996 443 HA GLU 59 HA GLU 59 -3.235 0.008 0.008 444 1HB GLU 59 1HB GLU 59 -3.602 0.124 0.124 445 2HB GLU 59 2HB GLU 59 -3.758 1.403 1.403 446 1HG GLU 59 1HG GLU 59 -6.000 1.077 1.077 447 2HG GLU 59 2HG GLU 59 -5.865 -0.143 -0.143 448 H CYS 60 H CYS 60 -1.373 1.209 1.209 449 HA CYS 60 HA CYS 60 0.894 -0.578 -0.578 450 1HB CYS 60 1HB CYS 60 0.701 2.419 2.419 451 2HB CYS 60 2HB CYS 60 2.205 1.503 1.503 Start of MODEL 14 1 1H GLU 1 1HN GLU 1 11.860 -11.829 -11.829 2 2H GLU 1 2HN GLU 1 12.413 -13.222 -13.222 3 3H GLU 1 3HN GLU 1 12.837 -11.828 -11.828 4 HA GLU 1 HA GLU 1 11.167 -12.720 -12.720 5 1HB GLU 1 1HB GLU 1 8.888 -12.342 -12.342 6 2HB GLU 1 2HB GLU 1 9.324 -13.722 -13.722 7 1HG GLU 1 1HG GLU 1 9.139 -14.511 -14.511 8 2HG GLU 1 2HG GLU 1 10.880 -14.426 -14.426 9 H LYS 2 H LYS 2 10.471 -10.512 -10.512 10 HA LYS 2 HA LYS 2 9.196 -8.441 -8.441 11 1HB LYS 2 1HB LYS 2 10.862 -8.461 -8.461 12 2HB LYS 2 2HB LYS 2 9.909 -7.058 -7.058 13 1HG LYS 2 1HG LYS 2 7.842 -8.319 -8.319 14 2HG LYS 2 2HG LYS 2 8.684 -9.824 -9.824 15 1HD LYS 2 1HD LYS 2 9.616 -7.999 -7.999 16 2HD LYS 2 2HD LYS 2 7.894 -7.667 -7.667 17 1HE LYS 2 1HE LYS 2 8.180 -9.383 -9.383 18 2HE LYS 2 2HE LYS 2 7.407 -10.101 -10.101 19 1HZ LYS 2 1HZ LYS 2 9.717 -10.940 -10.940 20 2HZ LYS 2 2HZ LYS 2 10.222 -10.400 -10.400 21 3HZ LYS 2 3HZ LYS 2 9.032 -11.519 -11.519 22 H GLN 3 H GLN 3 10.167 -6.204 -6.204 23 HA GLN 3 HA GLN 3 11.391 -4.778 -4.778 24 1HB GLN 3 1HB GLN 3 13.476 -4.548 -4.548 25 2HB GLN 3 2HB GLN 3 13.300 -6.004 -6.004 26 1HG GLN 3 1HG GLN 3 14.283 -7.305 -7.305 27 2HG GLN 3 2HG GLN 3 14.505 -5.774 -5.774 28 1HE2 GLN 3 2HE2 GLN 3 17.568 -6.759 -6.759 29 2HE2 GLN 3 1HE2 GLN 3 16.673 -7.609 -7.609 30 H VAL 4 H VAL 4 12.223 -8.061 -8.061 31 HA VAL 4 HA VAL 4 12.014 -7.037 -7.037 32 HB VAL 4 HB VAL 4 14.179 -7.683 -7.683 33 1HG1 VAL 4 2HG1 VAL 4 13.672 -9.419 -9.419 34 2HG1 VAL 4 3HG1 VAL 4 13.203 -10.546 -10.546 35 3HG1 VAL 4 1HG1 VAL 4 14.849 -9.966 -9.966 36 1HG2 VAL 4 1HG2 VAL 4 13.495 -7.984 -7.984 37 2HG2 VAL 4 2HG2 VAL 4 14.845 -8.990 -8.990 38 3HG2 VAL 4 3HG2 VAL 4 13.243 -9.707 -9.707 39 H PHE 5 H PHE 5 9.633 -7.284 -7.284 40 HA PHE 5 HA PHE 5 8.876 -10.006 -10.006 41 1HB PHE 5 1HB PHE 5 7.031 -10.181 -10.181 42 2HB PHE 5 2HB PHE 5 8.577 -10.169 -10.169 43 HD1 PHE 5 1HD PHE 5 9.367 -7.907 -7.907 44 HD2 PHE 5 1HD PHE 5 5.316 -8.645 -8.645 45 HE1 PHE 5 2HE PHE 5 8.630 -5.753 -5.753 46 HE2 PHE 5 1HE PHE 5 4.553 -6.705 -6.705 47 HZ PHE 5 HZ PHE 5 6.228 -5.164 -5.164 48 H SER 6 H SER 6 9.104 -7.300 -7.300 49 HA SER 6 HA SER 6 6.350 -6.438 -6.438 50 1HB SER 6 1HB SER 6 7.379 -4.956 -4.956 51 2HB SER 6 2HB SER 6 8.117 -4.835 -4.835 52 HG SER 6 HG SER 6 9.115 -6.069 -6.069 53 H ARG 7 H ARG 7 5.611 -6.291 -6.291 54 HA ARG 7 HA ARG 7 6.338 -8.450 -8.450 55 1HB ARG 7 1HB ARG 7 3.949 -9.442 -9.442 56 2HB ARG 7 2HB ARG 7 5.089 -9.993 -9.993 57 1HG ARG 7 1HG ARG 7 4.090 -8.704 -8.704 58 2HG ARG 7 2HG ARG 7 3.132 -7.741 -7.741 59 1HD ARG 7 1HD ARG 7 2.807 -10.759 -10.759 60 2HD ARG 7 2HD ARG 7 1.964 -9.616 -9.616 61 HE ARG 7 HE ARG 7 1.565 -8.966 -8.966 62 1HH1 ARG 7 2HH2 ARG 7 0.549 -11.551 -11.551 63 2HH1 ARG 7 1HH2 ARG 7 -1.160 -11.144 -11.144 64 1HH2 ARG 7 2HH1 ARG 7 -0.664 -8.918 -8.918 65 2HH2 ARG 7 1HH1 ARG 7 -1.842 -9.834 -9.834 66 H MET 8 H MET 8 5.341 -8.171 -8.171 67 HA MET 8 HA MET 8 4.748 -5.335 -5.335 68 1HB MET 8 1HB MET 8 4.897 -7.625 -7.625 69 2HB MET 8 2HB MET 8 4.606 -5.933 -5.933 70 1HG MET 8 1HG MET 8 6.777 -5.276 -5.276 71 2HG MET 8 2HG MET 8 7.141 -6.959 -6.959 72 1HE MET 8 2HE MET 8 9.407 -6.623 -6.623 73 2HE MET 8 3HE MET 8 9.421 -6.110 -6.110 74 3HE MET 8 1HE MET 8 8.884 -4.975 -4.975 75 HA PRO 9 HA PRO 9 0.225 -6.155 -6.155 76 1HB PRO 9 1HB PRO 9 -0.487 -3.780 -3.780 77 2HB PRO 9 2HB PRO 9 -0.152 -3.946 -3.946 78 1HG PRO 9 1HG PRO 9 1.788 -2.996 -2.996 79 2HG PRO 9 2HG PRO 9 1.390 -2.175 -2.175 80 1HD PRO 9 1HD PRO 9 3.552 -3.747 -3.747 81 2HD PRO 9 2HD PRO 9 2.551 -3.805 -3.805 82 H ILE 10 H ILE 10 -0.800 -6.680 -6.680 83 HA ILE 10 HA ILE 10 1.062 -6.924 -6.924 84 HB ILE 10 HB ILE 10 -1.312 -8.704 -8.704 85 1HG1 ILE 10 1HG1 ILE 10 1.512 -9.154 -9.154 86 2HG1 ILE 10 2HG1 ILE 10 0.074 -8.846 -8.846 87 1HG2 ILE 10 2HG2 ILE 10 0.090 -8.526 -8.526 88 2HG2 ILE 10 3HG2 ILE 10 1.346 -9.371 -9.371 89 3HG2 ILE 10 1HG2 ILE 10 -0.239 -10.133 -10.133 90 1HD1 ILE 10 1HD1 ILE 10 -1.005 -10.889 -10.889 91 2HD1 ILE 10 2HD1 ILE 10 0.503 -11.292 -11.292 92 3HD1 ILE 10 3HD1 ILE 10 0.490 -11.187 -11.187 93 H CYS 11 H CYS 11 0.457 -4.774 -4.774 94 HA CYS 11 HA CYS 11 -2.257 -3.937 -3.937 95 1HB CYS 11 1HB CYS 11 0.155 -2.761 -2.761 96 2HB CYS 11 2HB CYS 11 -1.373 -1.943 -1.943 97 H GLU 12 H GLU 12 -3.213 -3.000 -3.000 98 HA GLU 12 HA GLU 12 -4.366 -3.388 -3.388 99 1HB GLU 12 1HB GLU 12 -2.061 -5.061 -5.061 100 2HB GLU 12 2HB GLU 12 -3.494 -4.572 -4.572 101 1HG GLU 12 1HG GLU 12 -2.837 -2.170 -2.170 102 2HG GLU 12 2HG GLU 12 -1.296 -2.771 -2.771 103 H HIS 13 H HIS 13 -3.506 -6.186 -6.186 104 HA HIS 13 HA HIS 13 -5.374 -7.902 -7.902 105 1HB HIS 13 1HB HIS 13 -3.843 -8.387 -8.387 106 2HB HIS 13 2HB HIS 13 -4.949 -9.523 -9.523 107 HD1 HIS 13 HD1 HIS 13 -4.007 -10.980 -10.980 108 HD2 HIS 13 HD2 HIS 13 -1.526 -7.832 -7.832 109 HE1 HIS 13 HE1 HIS 13 -1.711 -11.328 -11.328 110 HE2 HIS 13 HE2 HIS 13 -0.202 -9.406 -9.406 111 H MET 14 H MET 14 -5.562 -6.043 -6.043 112 HA MET 14 HA MET 14 -8.111 -7.264 -7.264 113 1HB MET 14 1HB MET 14 -6.384 -5.056 -5.056 114 2HB MET 14 2HB MET 14 -7.836 -5.725 -5.725 115 1HG MET 14 1HG MET 14 -5.911 -6.583 -6.583 116 2HG MET 14 2HG MET 14 -6.855 -7.883 -7.883 117 1HE MET 14 2HE MET 14 -4.229 -8.381 -8.381 118 2HE MET 14 3HE MET 14 -4.948 -9.646 -9.646 119 3HE MET 14 1HE MET 14 -3.230 -9.248 -9.248 120 H THR 15 H THR 15 -9.114 -4.636 -4.636 121 HA THR 15 HA THR 15 -10.662 -3.614 -3.614 122 HB THR 15 HB THR 15 -11.191 -1.943 -1.943 123 HG1 THR 15 HG1 THR 15 -10.485 -2.586 -2.586 124 1HG2 THR 15 2HG2 THR 15 -11.920 -4.909 -4.909 125 2HG2 THR 15 3HG2 THR 15 -12.784 -3.600 -3.600 126 3HG2 THR 15 1HG2 THR 15 -12.764 -3.654 -3.654 127 H GLU 16 H GLU 16 -8.713 -3.223 -3.223 128 HA GLU 16 HA GLU 16 -7.127 -0.784 -0.784 129 1HB GLU 16 1HB GLU 16 -6.604 -3.279 -3.279 130 2HB GLU 16 2HB GLU 16 -5.493 -1.924 -1.924 131 1HG GLU 16 1HG GLU 16 -6.498 -3.402 -3.402 132 2HG GLU 16 2HG GLU 16 -5.213 -4.090 -4.090 133 H SER 17 H SER 17 -9.451 0.009 0.009 134 HA SER 17 HA SER 17 -8.867 1.218 1.218 135 1HB SER 17 1HB SER 17 -10.748 -0.183 -0.183 136 2HB SER 17 2HB SER 17 -9.012 -0.468 -0.468 137 HG SER 17 HG SER 17 -9.142 -2.164 -2.164 138 HA PRO 18 HA PRO 18 -13.425 2.165 2.165 139 1HB PRO 18 1HB PRO 18 -14.745 0.809 0.809 140 2HB PRO 18 2HB PRO 18 -14.720 0.236 0.236 141 1HG PRO 18 1HG PRO 18 -12.911 -0.628 -0.628 142 2HG PRO 18 2HG PRO 18 -13.846 -1.686 -1.686 143 1HD PRO 18 1HD PRO 18 -11.244 -1.176 -1.176 144 2HD PRO 18 2HD PRO 18 -12.383 -1.206 -1.206 145 H ASP 19 H ASP 19 -14.355 3.357 3.357 146 HA ASP 19 HA ASP 19 -12.202 4.277 4.277 147 1HB ASP 19 1HB ASP 19 -13.690 5.818 5.818 148 2HB ASP 19 2HB ASP 19 -14.246 5.676 5.676 149 H CYS 20 H CYS 20 -12.207 3.975 3.975 150 HA CYS 20 HA CYS 20 -13.081 1.252 1.252 151 1HB CYS 20 1HB CYS 20 -10.710 3.015 3.015 152 2HB CYS 20 2HB CYS 20 -11.065 1.493 1.493 153 H SER 21 H SER 21 -14.773 3.768 3.768 154 HA SER 21 HA SER 21 -14.525 5.062 5.062 155 1HB SER 21 1HB SER 21 -15.983 5.799 5.799 156 2HB SER 21 2HB SER 21 -17.077 4.434 4.434 157 HG SER 21 HG SER 21 -17.757 6.381 6.381 158 H ARG 22 H ARG 22 -14.653 4.450 4.450 159 HA ARG 22 HA ARG 22 -14.931 3.263 3.263 160 1HB ARG 22 1HB ARG 22 -17.675 3.365 3.365 161 2HB ARG 22 2HB ARG 22 -17.493 2.714 2.714 162 1HG ARG 22 1HG ARG 22 -16.237 5.400 5.400 163 2HG ARG 22 2HG ARG 22 -17.984 5.299 5.299 164 1HD ARG 22 1HD ARG 22 -16.924 5.876 5.876 165 2HD ARG 22 2HD ARG 22 -17.865 4.400 4.400 166 HE ARG 22 HE ARG 22 -14.840 4.597 4.597 167 1HH1 ARG 22 2HH2 ARG 22 -17.566 2.374 2.374 168 2HH1 ARG 22 1HH2 ARG 22 -16.669 1.602 1.602 169 1HH2 ARG 22 2HH1 ARG 22 -13.848 3.549 3.549 170 2HH2 ARG 22 1HH1 ARG 22 -14.610 2.119 2.119 171 H ILE 23 H ILE 23 -14.228 1.523 1.523 172 HA ILE 23 HA ILE 23 -15.015 -1.111 -1.111 173 HB ILE 23 HB ILE 23 -12.766 -0.366 -0.366 174 1HG1 ILE 23 1HG1 ILE 23 -15.580 -1.427 -1.427 175 2HG1 ILE 23 2HG1 ILE 23 -14.957 0.173 0.173 176 1HG2 ILE 23 3HG2 ILE 23 -14.019 -3.049 -3.049 177 2HG2 ILE 23 1HG2 ILE 23 -12.757 -2.846 -2.846 178 3HG2 ILE 23 2HG2 ILE 23 -12.401 -2.498 -2.498 179 1HD1 ILE 23 1HD1 ILE 23 -13.201 -0.985 -0.985 180 2HD1 ILE 23 2HD1 ILE 23 -14.128 -2.485 -2.485 181 3HD1 ILE 23 3HD1 ILE 23 -14.883 -1.096 -1.096 182 H TYR 24 H TYR 24 -14.570 -0.693 -0.693 183 HA TYR 24 HA TYR 24 -12.003 0.362 0.362 184 1HB TYR 24 1HB TYR 24 -14.175 0.373 0.373 185 2HB TYR 24 2HB TYR 24 -13.870 -1.317 -1.317 186 HD1 TYR 24 HD1 TYR 24 -11.883 1.920 1.920 187 HD2 TYR 24 HD2 TYR 24 -12.922 -1.643 -1.643 188 HE1 TYR 24 HE1 TYR 24 -10.403 2.622 2.622 189 HE2 TYR 24 HE2 TYR 24 -11.456 -0.906 -0.906 190 HH TYR 24 HH TYR 24 -9.775 0.687 0.687 191 H ASP 25 H ASP 25 -10.127 -0.704 -0.704 192 HA ASP 25 HA ASP 25 -9.964 -3.585 -3.585 193 1HB ASP 25 1HB ASP 25 -10.651 -3.484 -3.484 194 2HB ASP 25 2HB ASP 25 -9.310 -2.386 -2.386 195 HA PRO 26 HA PRO 26 -6.750 -0.402 -0.402 196 1HB PRO 26 1HB PRO 26 -6.331 -0.616 -0.616 197 2HB PRO 26 2HB PRO 26 -7.580 0.402 0.402 198 1HG PRO 26 1HG PRO 26 -7.884 -2.426 -2.426 199 2HG PRO 26 2HG PRO 26 -8.923 -1.020 -1.020 200 1HD PRO 26 1HD PRO 26 -9.611 -2.832 -2.832 201 2HD PRO 26 2HD PRO 26 -9.813 -1.082 -1.082 202 H VAL 27 H VAL 27 -4.533 -0.545 -0.545 203 HA VAL 27 HA VAL 27 -3.257 -2.969 -2.969 204 HB VAL 27 HB VAL 27 -1.891 -3.232 -3.232 205 1HG1 VAL 27 1HG1 VAL 27 -3.915 -4.699 -4.699 206 2HG1 VAL 27 2HG1 VAL 27 -4.842 -3.614 -3.614 207 3HG1 VAL 27 3HG1 VAL 27 -3.459 -4.507 -4.507 208 1HG2 VAL 27 3HG2 VAL 27 -2.294 -0.970 -0.970 209 2HG2 VAL 27 1HG2 VAL 27 -2.620 -2.290 -2.290 210 3HG2 VAL 27 2HG2 VAL 27 -3.965 -1.438 -1.438 211 H CYS 28 H CYS 28 -1.096 -2.571 -2.571 212 HA CYS 28 HA CYS 28 -0.451 0.320 0.320 213 1HB CYS 28 1HB CYS 28 -0.530 -1.060 -1.060 214 2HB CYS 28 2HB CYS 28 0.720 -2.122 -2.122 215 H GLY 29 H GLY 29 0.962 1.241 1.241 216 1HA GLY 29 1HA GLY 29 2.477 -0.396 -0.396 217 2HA GLY 29 2HA GLY 29 2.400 1.370 1.370 218 H THR 30 H THR 30 4.859 -0.267 -0.267 219 HA THR 30 HA THR 30 6.384 -0.199 -0.199 220 HB THR 30 HB THR 30 8.318 -0.024 -0.024 221 HG1 THR 30 HG1 THR 30 7.189 0.708 0.708 222 1HG2 THR 30 3HG2 THR 30 6.381 -2.371 -2.371 223 2HG2 THR 30 1HG2 THR 30 8.061 -2.371 -2.371 224 3HG2 THR 30 2HG2 THR 30 7.752 -2.123 -2.123 225 H ASP 31 H ASP 31 5.145 2.455 2.455 226 HA ASP 31 HA ASP 31 7.211 4.326 4.326 227 1HB ASP 31 1HB ASP 31 5.727 6.029 6.029 228 2HB ASP 31 2HB ASP 31 5.840 4.733 4.733 229 H GLY 32 H GLY 32 4.692 2.619 2.619 230 1HA GLY 32 1HA GLY 32 4.402 2.485 2.485 231 2HA GLY 32 2HA GLY 32 5.268 4.011 4.011 232 H VAL 33 H VAL 33 2.808 4.004 4.004 233 HA VAL 33 HA VAL 33 0.893 5.341 5.341 234 HB VAL 33 HB VAL 33 1.218 5.688 5.688 235 1HG1 VAL 33 2HG1 VAL 33 -0.360 7.231 7.231 236 2HG1 VAL 33 3HG1 VAL 33 -0.194 7.681 7.681 237 3HG1 VAL 33 1HG1 VAL 33 -1.052 6.199 6.199 238 1HG2 VAL 33 3HG2 VAL 33 2.152 7.488 7.488 239 2HG2 VAL 33 1HG2 VAL 33 3.210 6.644 6.644 240 3HG2 VAL 33 2HG2 VAL 33 2.133 7.929 7.929 241 H THR 34 H THR 34 -1.266 4.603 4.603 242 HA THR 34 HA THR 34 -1.671 2.031 2.031 243 HB THR 34 HB THR 34 -3.396 3.424 3.424 244 HG1 THR 34 HG1 THR 34 -1.877 1.008 1.008 245 1HG2 THR 34 3HG2 THR 34 -3.715 0.745 0.745 246 2HG2 THR 34 1HG2 THR 34 -4.693 1.295 1.295 247 3HG2 THR 34 2HG2 THR 34 -4.774 2.162 2.162 248 H TYR 35 H TYR 35 -2.931 1.896 1.896 249 HA TYR 35 HA TYR 35 -4.174 4.395 4.395 250 1HB TYR 35 1HB TYR 35 -3.247 1.819 1.819 251 2HB TYR 35 2HB TYR 35 -4.134 3.108 3.108 252 HD1 TYR 35 HD1 TYR 35 -0.929 2.568 2.568 253 HD2 TYR 35 HD2 TYR 35 -2.912 4.731 4.731 254 HE1 TYR 35 HE1 TYR 35 1.198 3.646 3.646 255 HE2 TYR 35 HE2 TYR 35 -0.755 5.775 5.775 256 HH TYR 35 HH TYR 35 2.203 5.290 5.290 257 H GLU 36 H GLU 36 -6.423 4.317 4.317 258 HA GLU 36 HA GLU 36 -7.881 2.416 2.416 259 1HB GLU 36 1HB GLU 36 -8.796 4.357 4.357 260 2HB GLU 36 2HB GLU 36 -9.852 3.482 3.482 261 1HG GLU 36 1HG GLU 36 -9.659 5.640 5.640 262 2HG GLU 36 2HG GLU 36 -8.693 4.581 4.581 263 H SER 37 H SER 37 -6.667 2.109 2.109 264 HA SER 37 HA SER 37 -8.040 -0.435 -0.435 265 1HB SER 37 1HB SER 37 -8.817 0.120 0.120 266 2HB SER 37 2HB SER 37 -9.686 0.968 0.968 267 HG SER 37 HG SER 37 -8.133 2.733 2.733 268 H GLU 38 H GLU 38 -6.635 -1.855 -1.855 269 HA GLU 38 HA GLU 38 -3.956 -1.194 -1.194 270 1HB GLU 38 1HB GLU 38 -4.744 -3.413 -3.413 271 2HB GLU 38 2HB GLU 38 -5.874 -3.442 -3.442 272 1HG GLU 38 1HG GLU 38 -4.142 -3.361 -3.361 273 2HG GLU 38 2HG GLU 38 -2.858 -3.322 -3.322 274 H CYS 39 H CYS 39 -6.997 -1.063 -1.063 275 HA CYS 39 HA CYS 39 -6.007 -0.557 -0.557 276 1HB CYS 39 1HB CYS 39 -8.353 -0.764 -0.764 277 2HB CYS 39 2HB CYS 39 -8.427 0.508 0.508 278 H LYS 40 H LYS 40 -6.715 1.897 1.897 279 HA LYS 40 HA LYS 40 -5.482 3.994 3.994 280 1HB LYS 40 1HB LYS 40 -6.129 3.824 3.824 281 2HB LYS 40 2HB LYS 40 -5.333 5.206 5.206 282 1HG LYS 40 1HG LYS 40 -7.301 5.275 5.275 283 2HG LYS 40 2HG LYS 40 -8.112 4.135 4.135 284 1HD LYS 40 1HD LYS 40 -8.906 6.222 6.222 285 2HD LYS 40 2HD LYS 40 -7.604 5.867 5.867 286 1HE LYS 40 1HE LYS 40 -6.047 7.274 7.274 287 2HE LYS 40 2HE LYS 40 -7.449 7.631 7.631 288 1HZ LYS 40 1HZ LYS 40 -8.425 8.733 8.733 289 2HZ LYS 40 2HZ LYS 40 -6.984 8.470 8.470 290 3HZ LYS 40 3HZ LYS 40 -7.059 9.392 9.392 291 H LEU 41 H LEU 41 -4.098 1.610 1.610 292 HA LEU 41 HA LEU 41 -1.533 2.853 2.853 293 1HB LEU 41 1HB LEU 41 -2.373 0.957 0.957 294 2HB LEU 41 2HB LEU 41 -2.099 -0.136 -0.136 295 HG LEU 41 HG LEU 41 0.211 1.612 1.612 296 1HD1 LEU 41 2HD1 LEU 41 -0.715 0.712 0.712 297 2HD1 LEU 41 3HD1 LEU 41 -0.507 -0.924 -0.924 298 3HD1 LEU 41 1HD1 LEU 41 0.903 0.118 0.118 299 1HD2 LEU 41 2HD2 LEU 41 0.308 -0.092 -0.092 300 2HD2 LEU 41 3HD2 LEU 41 1.499 -0.377 -0.377 301 3HD2 LEU 41 1HD2 LEU 41 0.018 -1.351 -1.351 302 H CYS 42 H CYS 42 -2.890 0.540 0.540 303 HA CYS 42 HA CYS 42 -0.544 0.272 0.272 304 1HB CYS 42 1HB CYS 42 -3.379 -0.567 -0.567 305 2HB CYS 42 2HB CYS 42 -2.612 -0.296 -0.296 306 H LEU 43 H LEU 43 -3.507 2.239 2.239 307 HA LEU 43 HA LEU 43 -2.848 3.746 3.746 308 1HB LEU 43 1HB LEU 43 -4.235 4.487 4.487 309 2HB LEU 43 2HB LEU 43 -4.220 5.567 5.567 310 HG LEU 43 HG LEU 43 -5.508 2.806 2.806 311 1HD1 LEU 43 3HD1 LEU 43 -6.685 5.622 5.622 312 2HD1 LEU 43 1HD1 LEU 43 -7.602 4.109 4.109 313 3HD1 LEU 43 2HD1 LEU 43 -6.788 4.499 4.499 314 1HD2 LEU 43 2HD2 LEU 43 -5.287 4.919 4.919 315 2HD2 LEU 43 3HD2 LEU 43 -4.710 3.231 3.231 316 3HD2 LEU 43 1HD2 LEU 43 -6.440 3.564 3.564 317 H ALA 44 H ALA 44 -2.024 4.506 4.506 318 HA ALA 44 HA ALA 44 -0.436 6.765 6.765 319 1HB ALA 44 1HB ALA 44 -0.436 4.888 4.888 320 2HB ALA 44 1HB ALA 44 0.578 6.354 6.354 321 3HB ALA 44 2HB ALA 44 -1.185 6.472 6.472 322 H ARG 45 H ARG 45 0.583 3.344 3.344 323 HA ARG 45 HA ARG 45 3.268 3.474 3.474 324 1HB ARG 45 1HB ARG 45 1.231 1.413 1.413 325 2HB ARG 45 2HB ARG 45 2.079 1.492 1.492 326 1HG ARG 45 1HG ARG 45 3.389 -0.002 -0.002 327 2HG ARG 45 2HG ARG 45 4.248 1.472 1.472 328 1HD ARG 45 1HD ARG 45 2.450 -0.300 -0.300 329 2HD ARG 45 2HD ARG 45 3.995 0.441 0.441 330 HE ARG 45 HE ARG 45 1.254 1.430 1.430 331 1HH1 ARG 45 2HH2 ARG 45 4.537 2.645 2.645 332 2HH1 ARG 45 1HH2 ARG 45 4.223 4.156 4.156 333 1HH2 ARG 45 2HH1 ARG 45 0.793 3.311 3.311 334 2HH2 ARG 45 1HH1 ARG 45 2.003 4.492 4.492 335 H ILE 46 H ILE 46 0.577 3.604 3.604 336 HA ILE 46 HA ILE 46 2.460 3.825 3.825 337 HB ILE 46 HB ILE 46 -0.534 4.389 4.389 338 1HG1 ILE 46 1HG1 ILE 46 0.830 1.980 1.980 339 2HG1 ILE 46 2HG1 ILE 46 0.476 1.994 1.994 340 1HG2 ILE 46 1HG2 ILE 46 1.274 4.097 4.097 341 2HG2 ILE 46 2HG2 ILE 46 -0.500 4.124 4.124 342 3HG2 ILE 46 3HG2 ILE 46 0.379 5.551 5.551 343 1HD1 ILE 46 1HD1 ILE 46 -1.643 2.378 2.378 344 2HD1 ILE 46 2HD1 ILE 46 -1.289 0.885 0.885 345 3HD1 ILE 46 3HD1 ILE 46 -1.888 2.316 2.316 346 H GLU 47 H GLU 47 0.539 6.224 6.224 347 HA GLU 47 HA GLU 47 1.314 8.511 8.511 348 1HB GLU 47 1HB GLU 47 -0.444 8.331 8.331 349 2HB GLU 47 2HB GLU 47 0.800 8.286 8.286 350 1HG GLU 47 1HG GLU 47 1.543 10.555 10.555 351 2HG GLU 47 2HG GLU 47 0.277 10.547 10.547 352 H ASN 48 H ASN 48 2.865 6.866 6.866 353 HA ASN 48 HA ASN 48 4.989 8.829 8.829 354 1HB ASN 48 1HB ASN 48 4.400 6.200 6.200 355 2HB ASN 48 2HB ASN 48 5.915 7.058 7.058 356 1HD2 ASN 48 2HD2 ASN 48 2.533 8.818 8.818 357 2HD2 ASN 48 1HD2 ASN 48 2.387 7.562 7.562 358 H LYS 49 H LYS 49 4.678 5.639 5.639 359 HA LYS 49 HA LYS 49 6.083 3.984 3.984 360 1HB LYS 49 1HB LYS 49 7.543 6.304 6.304 361 2HB LYS 49 2HB LYS 49 8.023 4.620 4.620 362 1HG LYS 49 1HG LYS 49 6.025 4.013 4.013 363 2HG LYS 49 2HG LYS 49 5.118 5.390 5.390 364 1HD LYS 49 1HD LYS 49 7.256 5.508 5.508 365 2HD LYS 49 2HD LYS 49 5.499 5.580 5.580 366 1HE LYS 49 1HE LYS 49 5.627 7.618 7.618 367 2HE LYS 49 2HE LYS 49 7.329 7.677 7.677 368 1HZ LYS 49 3HZ LYS 49 6.532 7.895 7.895 369 2HZ LYS 49 1HZ LYS 49 4.976 7.904 7.904 370 3HZ LYS 49 2HZ LYS 49 5.966 9.114 9.114 371 H GLN 50 H GLN 50 6.177 4.210 4.210 372 HA GLN 50 HA GLN 50 9.034 3.664 3.664 373 1HB GLN 50 1HB GLN 50 7.004 4.986 4.986 374 2HB GLN 50 2HB GLN 50 8.577 4.349 4.349 375 1HG GLN 50 1HG GLN 50 8.094 6.684 6.684 376 2HG GLN 50 2HG GLN 50 8.637 6.797 6.797 377 1HE2 GLN 50 2HE2 GLN 50 11.915 5.294 5.294 378 2HE2 GLN 50 1HE2 GLN 50 10.687 4.994 4.994 379 H ASP 51 H ASP 51 9.242 1.625 1.625 380 HA ASP 51 HA ASP 51 6.848 -0.094 -0.094 381 1HB ASP 51 1HB ASP 51 8.765 -1.047 -1.047 382 2HB ASP 51 2HB ASP 51 9.800 -0.638 -0.638 383 H ILE 52 H ILE 52 5.994 1.348 1.348 384 HA ILE 52 HA ILE 52 6.723 0.727 0.727 385 HB ILE 52 HB ILE 52 4.070 1.610 1.610 386 1HG1 ILE 52 1HG1 ILE 52 6.208 3.329 3.329 387 2HG1 ILE 52 2HG1 ILE 52 5.911 3.286 3.286 388 1HG2 ILE 52 1HG2 ILE 52 3.875 0.561 0.561 389 2HG2 ILE 52 2HG2 ILE 52 5.104 1.689 1.689 390 3HG2 ILE 52 3HG2 ILE 52 3.520 2.278 2.278 391 1HD1 ILE 52 3HD1 ILE 52 3.367 3.732 3.732 392 2HD1 ILE 52 1HD1 ILE 52 4.389 4.640 4.640 393 3HD1 ILE 52 2HD1 ILE 52 4.405 5.002 5.002 394 H GLN 53 H GLN 53 6.198 -1.173 -1.173 395 HA GLN 53 HA GLN 53 4.541 -3.200 -3.200 396 1HB GLN 53 1HB GLN 53 6.899 -3.333 -3.333 397 2HB GLN 53 2HB GLN 53 5.872 -4.728 -4.728 398 1HG GLN 53 1HG GLN 53 6.356 -4.226 -4.226 399 2HG GLN 53 2HG GLN 53 7.495 -3.072 -3.072 400 1HE2 GLN 53 2HE2 GLN 53 9.726 -5.756 -5.756 401 2HE2 GLN 53 1HE2 GLN 53 8.969 -4.320 -4.320 402 H ILE 54 H ILE 54 3.355 -4.627 -4.627 403 HA ILE 54 HA ILE 54 1.955 -3.185 -3.185 404 HB ILE 54 HB ILE 54 1.706 -5.980 -5.980 405 1HG1 ILE 54 1HG1 ILE 54 -0.210 -3.609 -3.609 406 2HG1 ILE 54 2HG1 ILE 54 0.965 -3.976 -3.976 407 1HG2 ILE 54 2HG2 ILE 54 0.065 -4.615 -4.615 408 2HG2 ILE 54 3HG2 ILE 54 -0.361 -6.156 -6.156 409 3HG2 ILE 54 1HG2 ILE 54 1.097 -6.046 -6.046 410 1HD1 ILE 54 2HD1 ILE 54 -0.043 -6.224 -6.224 411 2HD1 ILE 54 3HD1 ILE 54 -1.333 -5.770 -5.770 412 3HD1 ILE 54 1HD1 ILE 54 -1.128 -4.870 -4.870 413 H VAL 55 H VAL 55 2.861 -3.135 -3.135 414 HA VAL 55 HA VAL 55 5.029 -4.899 -4.899 415 HB VAL 55 HB VAL 55 3.248 -2.905 -2.905 416 1HG1 VAL 55 1HG1 VAL 55 5.894 -4.213 -4.213 417 2HG1 VAL 55 2HG1 VAL 55 5.115 -2.895 -2.895 418 3HG1 VAL 55 3HG1 VAL 55 4.327 -4.470 -4.470 419 1HG2 VAL 55 2HG2 VAL 55 6.020 -2.583 -2.583 420 2HG2 VAL 55 3HG2 VAL 55 4.536 -1.836 -1.836 421 3HG2 VAL 55 1HG2 VAL 55 5.160 -1.371 -1.371 422 H LYS 56 H LYS 56 1.573 -4.286 -4.286 423 HA LYS 56 HA LYS 56 1.018 -7.090 -7.090 424 1HB LYS 56 1HB LYS 56 0.053 -6.642 -6.642 425 2HB LYS 56 2HB LYS 56 1.814 -6.753 -6.753 426 1HG LYS 56 1HG LYS 56 2.143 -4.453 -4.453 427 2HG LYS 56 2HG LYS 56 0.521 -4.029 -4.029 428 1HD LYS 56 1HD LYS 56 0.993 -5.521 -5.521 429 2HD LYS 56 2HD LYS 56 1.019 -3.762 -3.762 430 1HE LYS 56 1HE LYS 56 -1.285 -3.800 -3.800 431 2HE LYS 56 2HE LYS 56 -1.345 -5.536 -5.536 432 1HZ LYS 56 3HZ LYS 56 -1.036 -3.638 -3.638 433 2HZ LYS 56 1HZ LYS 56 -2.468 -4.238 -4.238 434 3HZ LYS 56 2HZ LYS 56 -1.351 -5.256 -5.256 435 H ASP 57 H ASP 57 -1.213 -7.451 -7.451 436 HA ASP 57 HA ASP 57 -2.835 -5.653 -5.653 437 1HB ASP 57 1HB ASP 57 -3.935 -7.867 -7.867 438 2HB ASP 57 2HB ASP 57 -4.469 -7.357 -7.357 439 H GLY 58 H GLY 58 -4.672 -4.428 -4.428 440 1HA GLY 58 1HA GLY 58 -5.974 -3.407 -3.407 441 2HA GLY 58 2HA GLY 58 -5.336 -4.466 -4.466 442 H GLU 59 H GLU 59 -5.804 -2.035 -2.035 443 HA GLU 59 HA GLU 59 -3.781 -0.074 -0.074 444 1HB GLU 59 1HB GLU 59 -5.681 -0.596 -0.596 445 2HB GLU 59 2HB GLU 59 -4.769 0.892 0.892 446 1HG GLU 59 1HG GLU 59 -5.978 1.564 1.564 447 2HG GLU 59 2HG GLU 59 -6.545 -0.048 -0.048 448 H CYS 60 H CYS 60 -2.083 0.471 0.471 449 HA CYS 60 HA CYS 60 -0.406 -1.800 -1.800 450 1HB CYS 60 1HB CYS 60 0.094 0.888 0.888 451 2HB CYS 60 2HB CYS 60 0.836 0.365 0.365 Start of MODEL 15 1 1H GLU 1 2HN GLU 1 10.083 -16.967 -16.967 2 2H GLU 1 3HN GLU 1 10.140 -18.077 -18.077 3 3H GLU 1 1HN GLU 1 11.484 -17.211 -17.211 4 HA GLU 1 HA GLU 1 10.678 -15.257 -15.257 5 1HB GLU 1 1HB GLU 1 9.528 -17.271 -17.271 6 2HB GLU 1 2HB GLU 1 10.219 -15.693 -15.693 7 1HG GLU 1 1HG GLU 1 12.453 -16.502 -16.502 8 2HG GLU 1 2HG GLU 1 11.777 -18.090 -18.090 9 H LYS 2 H LYS 2 7.940 -17.443 -17.443 10 HA LYS 2 HA LYS 2 5.703 -17.247 -17.247 11 1HB LYS 2 1HB LYS 2 4.542 -15.340 -15.340 12 2HB LYS 2 2HB LYS 2 6.058 -15.167 -15.167 13 1HG LYS 2 1HG LYS 2 6.664 -13.709 -13.709 14 2HG LYS 2 2HG LYS 2 4.917 -13.549 -13.549 15 1HD LYS 2 1HD LYS 2 6.621 -12.931 -12.931 16 2HD LYS 2 2HD LYS 2 6.176 -11.723 -11.723 17 1HE LYS 2 1HE LYS 2 4.175 -13.256 -13.256 18 2HE LYS 2 2HE LYS 2 4.820 -11.644 -11.644 19 1HZ LYS 2 3HZ LYS 2 3.884 -10.943 -10.943 20 2HZ LYS 2 1HZ LYS 2 3.062 -12.378 -12.378 21 3HZ LYS 2 2HZ LYS 2 2.775 -11.334 -11.334 22 H GLN 3 H GLN 3 4.023 -15.793 -15.793 23 HA GLN 3 HA GLN 3 4.826 -16.421 -16.421 24 1HB GLN 3 1HB GLN 3 3.155 -14.739 -14.739 25 2HB GLN 3 2HB GLN 3 2.554 -15.883 -15.883 26 1HG GLN 3 1HG GLN 3 1.579 -13.940 -13.940 27 2HG GLN 3 2HG GLN 3 2.968 -13.993 -13.993 28 1HE2 GLN 3 2HE2 GLN 3 4.489 -11.083 -11.083 29 2HE2 GLN 3 1HE2 GLN 3 4.859 -12.517 -12.517 30 H VAL 4 H VAL 4 5.828 -15.097 -15.097 31 HA VAL 4 HA VAL 4 8.067 -13.730 -13.730 32 HB VAL 4 HB VAL 4 7.914 -14.411 -14.411 33 1HG1 VAL 4 1HG1 VAL 4 5.484 -14.150 -14.150 34 2HG1 VAL 4 2HG1 VAL 4 5.678 -12.390 -12.390 35 3HG1 VAL 4 3HG1 VAL 4 6.481 -13.412 -13.412 36 1HG2 VAL 4 2HG2 VAL 4 9.163 -12.264 -12.264 37 2HG2 VAL 4 3HG2 VAL 4 8.914 -12.557 -12.557 38 3HG2 VAL 4 1HG2 VAL 4 7.897 -11.379 -11.379 39 H PHE 5 H PHE 5 8.375 -12.059 -12.059 40 HA PHE 5 HA PHE 5 6.779 -10.695 -10.695 41 1HB PHE 5 1HB PHE 5 8.382 -9.002 -9.002 42 2HB PHE 5 2HB PHE 5 9.226 -10.501 -10.501 43 HD1 PHE 5 1HD PHE 5 10.106 -10.873 -10.873 44 HD2 PHE 5 1HD PHE 5 9.057 -7.050 -7.050 45 HE1 PHE 5 1HE PHE 5 11.491 -9.725 -9.725 46 HE2 PHE 5 2HE PHE 5 10.568 -5.925 -5.925 47 HZ PHE 5 HZ PHE 5 11.738 -7.254 -7.254 48 H SER 6 H SER 6 7.658 -9.196 -9.196 49 HA SER 6 HA SER 6 5.239 -7.462 -7.462 50 1HB SER 6 1HB SER 6 6.389 -6.092 -6.092 51 2HB SER 6 2HB SER 6 7.180 -6.116 -6.116 52 HG SER 6 HG SER 6 8.746 -7.434 -7.434 53 H ARG 7 H ARG 7 4.061 -7.105 -7.105 54 HA ARG 7 HA ARG 7 3.784 -9.684 -9.684 55 1HB ARG 7 1HB ARG 7 1.537 -7.857 -7.857 56 2HB ARG 7 2HB ARG 7 1.426 -9.431 -9.431 57 1HG ARG 7 1HG ARG 7 2.305 -10.515 -10.515 58 2HG ARG 7 2HG ARG 7 2.586 -8.938 -8.938 59 1HD ARG 7 1HD ARG 7 0.494 -9.898 -9.898 60 2HD ARG 7 2HD ARG 7 0.169 -8.416 -8.416 61 HE ARG 7 HE ARG 7 -0.076 -10.500 -10.500 62 1HH1 ARG 7 2HH2 ARG 7 -1.825 -9.357 -9.357 63 2HH1 ARG 7 1HH2 ARG 7 -3.339 -9.911 -9.911 64 1HH2 ARG 7 2HH1 ARG 7 -1.995 -11.604 -11.604 65 2HH2 ARG 7 1HH1 ARG 7 -3.493 -10.960 -10.960 66 H MET 8 H MET 8 5.009 -8.781 -8.781 67 HA MET 8 HA MET 8 4.446 -6.145 -6.145 68 1HB MET 8 1HB MET 8 6.524 -6.972 -6.972 69 2HB MET 8 2HB MET 8 5.939 -8.580 -8.580 70 1HG MET 8 1HG MET 8 5.196 -8.047 -8.047 71 2HG MET 8 2HG MET 8 5.102 -6.294 -6.294 72 1HE MET 8 2HE MET 8 6.977 -4.637 -4.637 73 2HE MET 8 3HE MET 8 7.866 -5.442 -5.442 74 3HE MET 8 1HE MET 8 8.691 -5.036 -5.036 75 HA PRO 9 HA PRO 9 0.534 -7.569 -7.569 76 1HB PRO 9 1HB PRO 9 -0.544 -5.238 -5.238 77 2HB PRO 9 2HB PRO 9 -0.258 -5.572 -5.572 78 1HG PRO 9 1HG PRO 9 1.444 -3.901 -3.901 79 2HG PRO 9 2HG PRO 9 0.887 -3.561 -3.561 80 1HD PRO 9 1HD PRO 9 3.396 -4.707 -4.707 81 2HD PRO 9 2HD PRO 9 2.475 -4.945 -4.945 82 H ILE 10 H ILE 10 -0.773 -7.331 -7.331 83 HA ILE 10 HA ILE 10 0.851 -6.936 -6.936 84 HB ILE 10 HB ILE 10 -1.255 -9.108 -9.108 85 1HG1 ILE 10 1HG1 ILE 10 1.752 -9.437 -9.437 86 2HG1 ILE 10 2HG1 ILE 10 0.908 -9.621 -9.621 87 1HG2 ILE 10 2HG2 ILE 10 0.444 -8.309 -8.309 88 2HG2 ILE 10 3HG2 ILE 10 -0.515 -9.802 -9.802 89 3HG2 ILE 10 1HG2 ILE 10 -1.314 -8.233 -8.233 90 1HD1 ILE 10 1HD1 ILE 10 -0.486 -11.446 -11.446 91 2HD1 ILE 10 2HD1 ILE 10 0.525 -11.411 -11.411 92 3HD1 ILE 10 3HD1 ILE 10 1.247 -11.808 -11.808 93 H CYS 11 H CYS 11 -0.265 -5.445 -5.445 94 HA CYS 11 HA CYS 11 -3.142 -4.931 -4.931 95 1HB CYS 11 1HB CYS 11 -0.873 -3.201 -3.201 96 2HB CYS 11 2HB CYS 11 -2.205 -2.389 -2.389 97 H GLU 12 H GLU 12 -3.671 -5.619 -5.619 98 HA GLU 12 HA GLU 12 -2.459 -4.664 -4.664 99 1HB GLU 12 1HB GLU 12 -5.097 -5.990 -5.990 100 2HB GLU 12 2HB GLU 12 -4.483 -5.771 -5.771 101 1HG GLU 12 1HG GLU 12 -2.813 -7.347 -7.347 102 2HG GLU 12 2HG GLU 12 -2.564 -7.081 -7.081 103 H HIS 13 H HIS 13 -4.770 -3.312 -3.312 104 HA HIS 13 HA HIS 13 -5.940 -1.352 -1.352 105 1HB HIS 13 1HB HIS 13 -7.095 -1.993 -1.993 106 2HB HIS 13 2HB HIS 13 -5.711 -1.530 -1.530 107 HD1 HIS 13 HD1 HIS 13 -5.504 0.980 0.980 108 HD2 HIS 13 HD2 HIS 13 -8.662 0.111 0.111 109 HE1 HIS 13 HE1 HIS 13 -6.990 3.035 3.035 110 HE2 HIS 13 HE2 HIS 13 -8.870 2.568 2.568 111 H MET 14 H MET 14 -3.643 -1.110 -1.110 112 HA MET 14 HA MET 14 -1.975 0.944 0.944 113 1HB MET 14 1HB MET 14 -1.945 -0.199 -0.199 114 2HB MET 14 2HB MET 14 -0.758 0.909 0.909 115 1HG MET 14 1HG MET 14 -0.214 -0.834 -0.834 116 2HG MET 14 2HG MET 14 -1.369 -1.923 -1.923 117 1HE MET 14 2HE MET 14 2.143 -0.197 -0.197 118 2HE MET 14 3HE MET 14 2.653 -0.665 -0.665 119 3HE MET 14 1HE MET 14 1.344 0.504 0.504 120 H THR 15 H THR 15 -4.706 0.639 0.639 121 HA THR 15 HA THR 15 -4.811 3.310 3.310 122 HB THR 15 HB THR 15 -7.307 2.582 2.582 123 HG1 THR 15 HG1 THR 15 -7.045 1.077 1.077 124 1HG2 THR 15 3HG2 THR 15 -5.207 0.730 0.730 125 2HG2 THR 15 1HG2 THR 15 -6.885 0.931 0.931 126 3HG2 THR 15 2HG2 THR 15 -5.742 2.285 2.285 127 H GLU 16 H GLU 16 -4.550 4.868 4.868 128 HA GLU 16 HA GLU 16 -4.672 4.509 4.509 129 1HB GLU 16 1HB GLU 16 -5.083 7.272 7.272 130 2HB GLU 16 2HB GLU 16 -4.380 6.847 6.847 131 1HG GLU 16 1HG GLU 16 -2.751 5.341 5.341 132 2HG GLU 16 2HG GLU 16 -3.249 6.317 6.317 133 H SER 17 H SER 17 -7.501 5.767 5.767 134 HA SER 17 HA SER 17 -9.506 6.575 6.575 135 1HB SER 17 1HB SER 17 -10.899 4.439 4.439 136 2HB SER 17 2HB SER 17 -10.073 4.850 4.850 137 HG SER 17 HG SER 17 -8.356 3.392 3.392 138 HA PRO 18 HA PRO 18 -7.932 6.208 6.208 139 1HB PRO 18 1HB PRO 18 -9.247 8.315 8.315 140 2HB PRO 18 2HB PRO 18 -7.749 8.410 8.410 141 1HG PRO 18 1HG PRO 18 -10.581 8.936 8.936 142 2HG PRO 18 2HG PRO 18 -9.116 9.901 9.901 143 1HD PRO 18 1HD PRO 18 -10.089 8.175 8.175 144 2HD PRO 18 2HD PRO 18 -8.316 8.268 8.268 145 H ASP 19 H ASP 19 -11.539 6.708 6.708 146 HA ASP 19 HA ASP 19 -11.775 5.062 5.062 147 1HB ASP 19 1HB ASP 19 -13.460 6.817 6.817 148 2HB ASP 19 2HB ASP 19 -14.005 5.927 5.927 149 H CYS 20 H CYS 20 -10.540 3.273 3.273 150 HA CYS 20 HA CYS 20 -11.086 1.782 1.782 151 1HB CYS 20 1HB CYS 20 -10.286 0.277 0.277 152 2HB CYS 20 2HB CYS 20 -9.818 0.098 0.098 153 H SER 21 H SER 21 -12.233 1.483 1.483 154 HA SER 21 HA SER 21 -14.896 0.729 0.729 155 1HB SER 21 1HB SER 21 -13.154 -1.447 -1.447 156 2HB SER 21 2HB SER 21 -14.898 -1.529 -1.529 157 HG SER 21 HG SER 21 -13.935 -1.057 -1.057 158 H ARG 22 H ARG 22 -16.074 0.739 0.739 159 HA ARG 22 HA ARG 22 -14.792 2.489 2.489 160 1HB ARG 22 1HB ARG 22 -17.398 0.952 0.952 161 2HB ARG 22 2HB ARG 22 -16.946 2.304 2.304 162 1HG ARG 22 1HG ARG 22 -17.299 2.632 2.632 163 2HG ARG 22 2HG ARG 22 -18.614 2.722 2.722 164 1HD ARG 22 1HD ARG 22 -17.930 4.945 4.945 165 2HD ARG 22 2HD ARG 22 -17.475 4.582 4.582 166 HE ARG 22 HE ARG 22 -15.725 4.728 4.728 167 1HH1 ARG 22 2HH2 ARG 22 -15.904 5.022 5.022 168 2HH1 ARG 22 1HH2 ARG 22 -14.192 5.313 5.313 169 1HH2 ARG 22 2HH1 ARG 22 -13.477 4.820 4.820 170 2HH2 ARG 22 1HH1 ARG 22 -12.853 5.263 5.263 171 H ILE 23 H ILE 23 -13.909 -0.456 -0.456 172 HA ILE 23 HA ILE 23 -14.771 -1.813 -1.813 173 HB ILE 23 HB ILE 23 -12.394 -2.167 -2.167 174 1HG1 ILE 23 1HG1 ILE 23 -14.744 -2.367 -2.367 175 2HG1 ILE 23 2HG1 ILE 23 -13.671 -3.732 -3.732 176 1HG2 ILE 23 2HG2 ILE 23 -13.331 -4.093 -4.093 177 2HG2 ILE 23 3HG2 ILE 23 -12.278 -4.525 -4.525 178 3HG2 ILE 23 1HG2 ILE 23 -11.733 -3.342 -3.342 179 1HD1 ILE 23 3HD1 ILE 23 -15.851 -3.582 -3.582 180 2HD1 ILE 23 1HD1 ILE 23 -15.974 -4.415 -4.415 181 3HD1 ILE 23 2HD1 ILE 23 -14.818 -4.987 -4.987 182 H TYR 24 H TYR 24 -14.061 -1.893 -1.893 183 HA TYR 24 HA TYR 24 -11.629 -0.382 -0.382 184 1HB TYR 24 1HB TYR 24 -14.126 -0.378 -0.378 185 2HB TYR 24 2HB TYR 24 -13.449 -1.705 -1.705 186 HD1 TYR 24 HD1 TYR 24 -13.101 1.890 1.890 187 HD2 TYR 24 HD2 TYR 24 -11.957 -1.197 -1.197 188 HE1 TYR 24 HE1 TYR 24 -12.296 3.602 3.602 189 HE2 TYR 24 HE2 TYR 24 -11.018 0.528 0.528 190 HH TYR 24 HH TYR 24 -11.208 4.018 4.018 191 H ASP 25 H ASP 25 -9.819 -1.616 -1.616 192 HA ASP 25 HA ASP 25 -9.824 -4.260 -4.260 193 1HB ASP 25 1HB ASP 25 -10.213 -4.584 -4.584 194 2HB ASP 25 2HB ASP 25 -8.556 -4.030 -4.030 195 HA PRO 26 HA PRO 26 -6.792 -0.877 -0.877 196 1HB PRO 26 1HB PRO 26 -6.530 -0.790 -0.790 197 2HB PRO 26 2HB PRO 26 -7.746 0.081 0.081 198 1HG PRO 26 1HG PRO 26 -8.076 -2.537 -2.537 199 2HG PRO 26 2HG PRO 26 -9.211 -1.152 -1.152 200 1HD PRO 26 1HD PRO 26 -9.507 -3.389 -3.389 201 2HD PRO 26 2HD PRO 26 -9.876 -1.759 -1.759 202 H VAL 27 H VAL 27 -4.618 -0.791 -0.791 203 HA VAL 27 HA VAL 27 -3.063 -3.055 -3.055 204 HB VAL 27 HB VAL 27 -1.769 -3.034 -3.034 205 1HG1 VAL 27 3HG1 VAL 27 -3.272 -4.915 -4.915 206 2HG1 VAL 27 1HG1 VAL 27 -4.617 -4.093 -4.093 207 3HG1 VAL 27 2HG1 VAL 27 -3.206 -4.616 -4.616 208 1HG2 VAL 27 2HG2 VAL 27 -2.779 -0.948 -0.948 209 2HG2 VAL 27 3HG2 VAL 27 -2.876 -2.349 -2.349 210 3HG2 VAL 27 1HG2 VAL 27 -4.315 -1.814 -1.814 211 H CYS 28 H CYS 28 -0.836 -2.320 -2.320 212 HA CYS 28 HA CYS 28 -0.479 0.631 0.631 213 1HB CYS 28 1HB CYS 28 -0.351 -0.299 -0.299 214 2HB CYS 28 2HB CYS 28 1.118 -1.186 -1.186 215 H GLY 29 H GLY 29 1.054 1.428 1.428 216 1HA GLY 29 1HA GLY 29 2.573 -0.381 -0.381 217 2HA GLY 29 2HA GLY 29 2.479 1.381 1.381 218 H THR 30 H THR 30 4.943 -0.115 -0.115 219 HA THR 30 HA THR 30 6.481 0.192 0.192 220 HB THR 30 HB THR 30 8.363 0.293 0.293 221 HG1 THR 30 HG1 THR 30 7.709 -0.450 -0.450 222 1HG2 THR 30 3HG2 THR 30 6.423 -2.056 -2.056 223 2HG2 THR 30 1HG2 THR 30 8.065 -2.201 -2.201 224 3HG2 THR 30 2HG2 THR 30 7.828 -1.687 -1.687 225 H ASP 31 H ASP 31 5.038 2.612 2.612 226 HA ASP 31 HA ASP 31 6.991 4.707 4.707 227 1HB ASP 31 1HB ASP 31 5.373 6.145 6.145 228 2HB ASP 31 2HB ASP 31 5.444 4.733 4.733 229 H GLY 32 H GLY 32 4.333 3.025 3.025 230 1HA GLY 32 1HA GLY 32 4.125 2.957 2.957 231 2HA GLY 32 2HA GLY 32 4.684 4.627 4.627 232 H VAL 33 H VAL 33 2.474 4.214 4.214 233 HA VAL 33 HA VAL 33 0.433 5.653 5.653 234 HB VAL 33 HB VAL 33 0.844 5.298 5.298 235 1HG1 VAL 33 3HG1 VAL 33 -1.338 6.741 6.741 236 2HG1 VAL 33 1HG1 VAL 33 -0.964 7.049 7.049 237 3HG1 VAL 33 2HG1 VAL 33 -1.542 5.454 5.454 238 1HG2 VAL 33 3HG2 VAL 33 2.417 6.878 6.878 239 2HG2 VAL 33 1HG2 VAL 33 1.281 7.731 7.731 240 3HG2 VAL 33 2HG2 VAL 33 1.007 7.719 7.719 241 H THR 34 H THR 34 -1.266 4.605 4.605 242 HA THR 34 HA THR 34 -2.257 2.080 2.080 243 HB THR 34 HB THR 34 -3.654 4.256 4.256 244 HG1 THR 34 HG1 THR 34 -1.824 3.601 3.601 245 1HG2 THR 34 2HG2 THR 34 -4.208 1.272 1.272 246 2HG2 THR 34 3HG2 THR 34 -5.030 2.346 2.346 247 3HG2 THR 34 1HG2 THR 34 -5.228 2.599 2.599 248 H TYR 35 H TYR 35 -3.146 1.890 1.890 249 HA TYR 35 HA TYR 35 -4.628 4.153 4.153 250 1HB TYR 35 1HB TYR 35 -3.245 1.757 1.757 251 2HB TYR 35 2HB TYR 35 -4.378 2.780 2.780 252 HD1 TYR 35 HD2 TYR 35 -3.812 5.425 5.425 253 HD2 TYR 35 HD1 TYR 35 -0.978 2.231 2.231 254 HE1 TYR 35 HE2 TYR 35 -1.944 7.002 7.002 255 HE2 TYR 35 HE1 TYR 35 0.893 3.846 3.846 256 HH TYR 35 HH TYR 35 1.390 6.103 6.103 257 H GLU 36 H GLU 36 -6.822 3.747 3.747 258 HA GLU 36 HA GLU 36 -8.207 1.934 1.934 259 1HB GLU 36 1HB GLU 36 -9.071 3.066 3.066 260 2HB GLU 36 2HB GLU 36 -10.111 2.189 2.189 261 1HG GLU 36 1HG GLU 36 -9.661 3.911 3.911 262 2HG GLU 36 2HG GLU 36 -8.886 4.916 4.916 263 H SER 37 H SER 37 -6.740 1.409 1.409 264 HA SER 37 HA SER 37 -7.504 -1.383 -1.383 265 1HB SER 37 1HB SER 37 -9.564 -0.536 -0.536 266 2HB SER 37 2HB SER 37 -8.776 0.668 0.668 267 HG SER 37 HG SER 37 -9.020 -2.110 -2.110 268 H GLU 38 H GLU 38 -6.491 -2.445 -2.445 269 HA GLU 38 HA GLU 38 -4.015 -1.940 -1.940 270 1HB GLU 38 1HB GLU 38 -6.423 -3.385 -3.385 271 2HB GLU 38 2HB GLU 38 -4.732 -3.681 -3.681 272 1HG GLU 38 1HG GLU 38 -4.349 -4.484 -4.484 273 2HG GLU 38 2HG GLU 38 -6.055 -4.248 -4.248 274 H CYS 39 H CYS 39 -7.232 -0.763 -0.763 275 HA CYS 39 HA CYS 39 -6.599 0.127 0.127 276 1HB CYS 39 1HB CYS 39 -8.899 0.139 0.139 277 2HB CYS 39 2HB CYS 39 -8.494 1.267 1.267 278 H LYS 40 H LYS 40 -6.687 2.136 2.136 279 HA LYS 40 HA LYS 40 -5.315 4.358 4.358 280 1HB LYS 40 1HB LYS 40 -5.760 3.609 3.609 281 2HB LYS 40 2HB LYS 40 -4.879 5.035 5.035 282 1HG LYS 40 1HG LYS 40 -6.864 5.958 5.958 283 2HG LYS 40 2HG LYS 40 -6.980 5.590 5.590 284 1HD LYS 40 1HD LYS 40 -8.535 3.863 3.863 285 2HD LYS 40 2HD LYS 40 -8.005 3.562 3.562 286 1HE LYS 40 1HE LYS 40 -10.195 4.614 4.614 287 2HE LYS 40 2HE LYS 40 -9.054 5.576 5.576 288 1HZ LYS 40 1HZ LYS 40 -9.784 6.135 6.135 289 2HZ LYS 40 2HZ LYS 40 -10.454 6.895 6.895 290 3HZ LYS 40 3HZ LYS 40 -8.879 7.097 7.097 291 H LEU 41 H LEU 41 -4.087 1.428 1.428 292 HA LEU 41 HA LEU 41 -1.446 2.506 2.506 293 1HB LEU 41 1HB LEU 41 -2.318 0.434 0.434 294 2HB LEU 41 2HB LEU 41 -2.208 -0.413 -0.413 295 HG LEU 41 HG LEU 41 0.176 0.971 0.971 296 1HD1 LEU 41 2HD1 LEU 41 -0.797 -0.740 -0.740 297 2HD1 LEU 41 3HD1 LEU 41 -0.689 -1.927 -1.927 298 3HD1 LEU 41 1HD1 LEU 41 0.792 -1.215 -1.215 299 1HD2 LEU 41 2HD2 LEU 41 -0.010 -1.116 -1.116 300 2HD2 LEU 41 3HD2 LEU 41 0.786 0.470 0.470 301 3HD2 LEU 41 1HD2 LEU 41 1.457 -0.779 -0.779 302 H CYS 42 H CYS 42 -2.961 0.544 0.544 303 HA CYS 42 HA CYS 42 -0.628 0.382 0.382 304 1HB CYS 42 1HB CYS 42 -3.486 -0.252 -0.252 305 2HB CYS 42 2HB CYS 42 -2.288 -0.239 -0.239 306 H LEU 43 H LEU 43 -3.356 2.680 2.680 307 HA LEU 43 HA LEU 43 -2.401 4.436 4.436 308 1HB LEU 43 1HB LEU 43 -3.907 4.712 4.712 309 2HB LEU 43 2HB LEU 43 -3.428 6.160 6.160 310 HG LEU 43 HG LEU 43 -4.802 3.966 3.966 311 1HD1 LEU 43 2HD1 LEU 43 -6.241 4.247 4.247 312 2HD1 LEU 43 3HD1 LEU 43 -6.303 6.002 6.002 313 3HD1 LEU 43 1HD1 LEU 43 -6.986 4.845 4.845 314 1HD2 LEU 43 1HD2 LEU 43 -3.876 6.010 6.010 315 2HD2 LEU 43 2HD2 LEU 43 -5.648 5.971 5.971 316 3HD2 LEU 43 3HD2 LEU 43 -4.864 7.029 7.029 317 H ALA 44 H ALA 44 -1.590 4.396 4.396 318 HA ALA 44 HA ALA 44 -0.007 6.692 6.692 319 1HB ALA 44 1HB ALA 44 -0.869 5.773 5.773 320 2HB ALA 44 1HB ALA 44 0.222 4.376 4.376 321 3HB ALA 44 2HB ALA 44 0.884 6.007 6.007 322 H ARG 45 H ARG 45 0.993 3.277 3.277 323 HA ARG 45 HA ARG 45 3.786 3.878 3.878 324 1HB ARG 45 1HB ARG 45 4.001 1.687 1.687 325 2HB ARG 45 2HB ARG 45 3.319 1.625 1.625 326 1HG ARG 45 1HG ARG 45 1.099 1.478 1.478 327 2HG ARG 45 2HG ARG 45 1.716 1.626 1.626 328 1HD ARG 45 1HD ARG 45 1.166 -0.724 -0.724 329 2HD ARG 45 2HD ARG 45 2.905 -0.453 -0.453 330 HE ARG 45 HE ARG 45 1.376 -0.831 -0.831 331 1HH1 ARG 45 2HH2 ARG 45 3.669 -2.272 -2.272 332 2HH1 ARG 45 1HH2 ARG 45 4.975 -2.464 -2.464 333 1HH2 ARG 45 2HH1 ARG 45 2.549 -2.061 -2.061 334 2HH2 ARG 45 1HH1 ARG 45 4.136 -2.659 -2.659 335 H ILE 46 H ILE 46 1.198 3.988 3.988 336 HA ILE 46 HA ILE 46 2.969 4.508 4.508 337 HB ILE 46 HB ILE 46 -0.019 4.808 4.808 338 1HG1 ILE 46 1HG1 ILE 46 1.647 2.906 2.906 339 2HG1 ILE 46 2HG1 ILE 46 0.981 2.520 2.520 340 1HG2 ILE 46 3HG2 ILE 46 0.643 6.554 6.554 341 2HG2 ILE 46 1HG2 ILE 46 1.476 5.334 5.334 342 3HG2 ILE 46 2HG2 ILE 46 -0.284 5.278 5.278 343 1HD1 ILE 46 1HD1 ILE 46 -1.323 2.911 2.911 344 2HD1 ILE 46 2HD1 ILE 46 -0.645 3.099 3.099 345 3HD1 ILE 46 3HD1 ILE 46 -0.460 1.565 1.565 346 H GLU 47 H GLU 47 0.889 6.585 6.585 347 HA GLU 47 HA GLU 47 1.501 9.105 9.105 348 1HB GLU 47 1HB GLU 47 1.130 8.197 8.197 349 2HB GLU 47 2HB GLU 47 0.986 9.858 9.858 350 1HG GLU 47 1HG GLU 47 -0.785 7.805 7.805 351 2HG GLU 47 2HG GLU 47 -1.133 8.287 8.287 352 H ASN 48 H ASN 48 3.143 7.241 7.241 353 HA ASN 48 HA ASN 48 5.272 9.072 9.072 354 1HB ASN 48 1HB ASN 48 4.818 6.075 6.075 355 2HB ASN 48 2HB ASN 48 6.371 6.798 6.798 356 1HD2 ASN 48 2HD2 ASN 48 3.430 7.599 7.599 357 2HD2 ASN 48 1HD2 ASN 48 2.976 7.351 7.351 358 H LYS 49 H LYS 49 4.886 6.374 6.374 359 HA LYS 49 HA LYS 49 6.271 5.214 5.214 360 1HB LYS 49 1HB LYS 49 7.952 7.735 7.735 361 2HB LYS 49 2HB LYS 49 8.089 6.298 6.298 362 1HG LYS 49 1HG LYS 49 5.599 8.036 8.036 363 2HG LYS 49 2HG LYS 49 6.804 8.237 8.237 364 1HD LYS 49 1HD LYS 49 5.300 5.585 5.585 365 2HD LYS 49 2HD LYS 49 4.651 6.889 6.889 366 1HE LYS 49 1HE LYS 49 7.464 5.887 5.887 367 2HE LYS 49 2HE LYS 49 6.072 5.009 5.009 368 1HZ LYS 49 3HZ LYS 49 6.502 7.872 7.872 369 2HZ LYS 49 1HZ LYS 49 6.936 6.711 6.711 370 3HZ LYS 49 2HZ LYS 49 5.339 6.908 6.908 371 H GLN 50 H GLN 50 6.306 4.836 4.836 372 HA GLN 50 HA GLN 50 9.090 3.906 3.906 373 1HB GLN 50 1HB GLN 50 7.190 4.912 4.912 374 2HB GLN 50 2HB GLN 50 8.679 4.002 4.002 375 1HG GLN 50 1HG GLN 50 9.920 5.883 5.883 376 2HG GLN 50 2HG GLN 50 8.489 6.875 6.875 377 1HE2 GLN 50 2HE2 GLN 50 8.622 6.636 6.636 378 2HE2 GLN 50 1HE2 GLN 50 7.484 6.674 6.674 379 H ASP 51 H ASP 51 9.050 1.726 1.726 380 HA ASP 51 HA ASP 51 6.511 0.342 0.342 381 1HB ASP 51 1HB ASP 51 8.620 -0.312 -0.312 382 2HB ASP 51 2HB ASP 51 9.334 -0.718 -0.718 383 H ILE 52 H ILE 52 5.301 0.795 0.795 384 HA ILE 52 HA ILE 52 6.380 0.679 0.679 385 HB ILE 52 HB ILE 52 3.562 0.502 0.502 386 1HG1 ILE 52 1HG1 ILE 52 5.119 2.741 2.741 387 2HG1 ILE 52 2HG1 ILE 52 4.876 2.620 2.620 388 1HG2 ILE 52 3HG2 ILE 52 4.419 0.753 0.753 389 2HG2 ILE 52 1HG2 ILE 52 2.782 1.063 1.063 390 3HG2 ILE 52 2HG2 ILE 52 3.437 -0.546 -0.546 391 1HD1 ILE 52 3HD1 ILE 52 2.359 2.689 2.689 392 2HD1 ILE 52 1HD1 ILE 52 2.772 3.188 3.188 393 3HD1 ILE 52 2HD1 ILE 52 3.283 4.176 4.176 394 H GLN 53 H GLN 53 5.779 -0.978 -0.978 395 HA GLN 53 HA GLN 53 4.926 -3.614 -3.614 396 1HB GLN 53 1HB GLN 53 7.359 -3.059 -3.059 397 2HB GLN 53 2HB GLN 53 6.300 -4.117 -4.117 398 1HG GLN 53 1HG GLN 53 6.814 -5.887 -5.887 399 2HG GLN 53 2HG GLN 53 6.431 -5.084 -5.084 400 1HE2 GLN 53 2HE2 GLN 53 10.110 -6.107 -6.107 401 2HE2 GLN 53 1HE2 GLN 53 8.677 -6.989 -6.989 402 H ILE 54 H ILE 54 3.475 -4.586 -4.586 403 HA ILE 54 HA ILE 54 2.102 -2.894 -2.894 404 HB ILE 54 HB ILE 54 1.682 -5.690 -5.690 405 1HG1 ILE 54 1HG1 ILE 54 -0.287 -3.402 -3.402 406 2HG1 ILE 54 2HG1 ILE 54 0.992 -3.523 -3.523 407 1HG2 ILE 54 1HG2 ILE 54 0.232 -4.256 -4.256 408 2HG2 ILE 54 2HG2 ILE 54 -0.414 -5.684 -5.684 409 3HG2 ILE 54 3HG2 ILE 54 1.089 -5.811 -5.811 410 1HD1 ILE 54 3HD1 ILE 54 -1.017 -5.737 -5.737 411 2HD1 ILE 54 1HD1 ILE 54 -1.108 -4.513 -4.513 412 3HD1 ILE 54 2HD1 ILE 54 0.241 -5.652 -5.652 413 H VAL 55 H VAL 55 3.026 -2.870 -2.870 414 HA VAL 55 HA VAL 55 5.101 -4.817 -4.817 415 HB VAL 55 HB VAL 55 3.594 -2.725 -2.725 416 1HG1 VAL 55 3HG1 VAL 55 4.663 -4.591 -4.591 417 2HG1 VAL 55 1HG1 VAL 55 6.206 -4.196 -4.196 418 3HG1 VAL 55 2HG1 VAL 55 5.392 -3.008 -3.008 419 1HG2 VAL 55 3HG2 VAL 55 6.326 -2.644 -2.644 420 2HG2 VAL 55 1HG2 VAL 55 4.905 -1.686 -1.686 421 3HG2 VAL 55 2HG2 VAL 55 5.677 -1.401 -1.401 422 H LYS 56 H LYS 56 1.670 -3.978 -3.978 423 HA LYS 56 HA LYS 56 1.105 -6.751 -6.751 424 1HB LYS 56 1HB LYS 56 0.459 -5.940 -5.940 425 2HB LYS 56 2HB LYS 56 2.190 -6.166 -6.166 426 1HG LYS 56 1HG LYS 56 2.611 -3.837 -3.837 427 2HG LYS 56 2HG LYS 56 0.917 -3.429 -3.429 428 1HD LYS 56 1HD LYS 56 1.557 -4.829 -4.829 429 2HD LYS 56 2HD LYS 56 2.225 -3.218 -3.218 430 1HE LYS 56 1HE LYS 56 -0.009 -2.325 -2.325 431 2HE LYS 56 2HE LYS 56 -0.731 -3.894 -3.894 432 1HZ LYS 56 3HZ LYS 56 0.162 -3.709 -3.709 433 2HZ LYS 56 1HZ LYS 56 0.616 -2.179 -2.179 434 3HZ LYS 56 2HZ LYS 56 -0.968 -2.565 -2.565 435 H ASP 57 H ASP 57 -1.004 -7.141 -7.141 436 HA ASP 57 HA ASP 57 -3.042 -5.702 -5.702 437 1HB ASP 57 1HB ASP 57 -3.222 -7.589 -7.589 438 2HB ASP 57 2HB ASP 57 -4.500 -7.218 -7.218 439 H GLY 58 H GLY 58 -4.356 -4.088 -4.088 440 1HA GLY 58 1HA GLY 58 -5.617 -2.798 -2.798 441 2HA GLY 58 2HA GLY 58 -5.043 -3.737 -3.737 442 H GLU 59 H GLU 59 -5.245 -1.598 -1.598 443 HA GLU 59 HA GLU 59 -3.776 0.605 0.605 444 1HB GLU 59 1HB GLU 59 -4.591 0.194 0.194 445 2HB GLU 59 2HB GLU 59 -4.437 1.702 1.702 446 1HG GLU 59 1HG GLU 59 -6.270 0.535 0.535 447 2HG GLU 59 2HG GLU 59 -6.561 -0.440 -0.440 448 H CYS 60 H CYS 60 -1.908 1.585 1.585 449 HA CYS 60 HA CYS 60 0.148 -0.155 -0.155 450 1HB CYS 60 1HB CYS 60 0.005 2.437 2.437 451 2HB CYS 60 2HB CYS 60 0.884 2.309 2.309 Start of MODEL 16 1 1H GLU 1 1HN GLU 1 10.387 -11.401 -11.401 2 2H GLU 1 2HN GLU 1 9.791 -9.917 -9.917 3 3H GLU 1 3HN GLU 1 9.189 -11.235 -11.235 4 HA GLU 1 HA GLU 1 11.298 -11.591 -11.591 5 1HB GLU 1 1HB GLU 1 9.697 -10.033 -10.033 6 2HB GLU 1 2HB GLU 1 10.420 -8.682 -8.682 7 1HG GLU 1 1HG GLU 1 12.674 -9.565 -9.565 8 2HG GLU 1 2HG GLU 1 11.684 -10.458 -10.458 9 H LYS 2 H LYS 2 13.296 -11.728 -11.728 10 HA LYS 2 HA LYS 2 15.403 -11.122 -11.122 11 1HB LYS 2 1HB LYS 2 14.447 -8.612 -8.612 12 2HB LYS 2 2HB LYS 2 16.139 -8.954 -8.954 13 1HG LYS 2 1HG LYS 2 16.217 -10.874 -10.874 14 2HG LYS 2 2HG LYS 2 14.478 -11.046 -11.046 15 1HD LYS 2 1HD LYS 2 15.033 -10.322 -10.322 16 2HD LYS 2 2HD LYS 2 14.327 -8.916 -8.916 17 1HE LYS 2 1HE LYS 2 16.672 -8.049 -8.049 18 2HE LYS 2 2HE LYS 2 17.267 -9.378 -9.378 19 1HZ LYS 2 3HZ LYS 2 15.609 -8.498 -8.498 20 2HZ LYS 2 1HZ LYS 2 15.520 -7.167 -7.167 21 3HZ LYS 2 2HZ LYS 2 16.966 -7.586 -7.586 22 H GLN 3 H GLN 3 13.804 -8.000 -8.000 23 HA GLN 3 HA GLN 3 15.399 -7.661 -7.661 24 1HB GLN 3 1HB GLN 3 13.213 -5.943 -5.943 25 2HB GLN 3 2HB GLN 3 14.291 -5.487 -5.487 26 1HG GLN 3 1HG GLN 3 16.243 -5.848 -5.848 27 2HG GLN 3 2HG GLN 3 15.117 -6.102 -6.102 28 1HE2 GLN 3 2HE2 GLN 3 16.113 -2.441 -2.441 29 2HE2 GLN 3 1HE2 GLN 3 17.099 -3.904 -3.904 30 H VAL 4 H VAL 4 11.917 -8.006 -8.006 31 HA VAL 4 HA VAL 4 11.191 -8.980 -8.980 32 HB VAL 4 HB VAL 4 11.352 -6.493 -6.493 33 1HG1 VAL 4 1HG1 VAL 4 10.656 -5.986 -5.986 34 2HG1 VAL 4 2HG1 VAL 4 8.996 -6.477 -6.477 35 3HG1 VAL 4 3HG1 VAL 4 9.726 -5.082 -5.082 36 1HG2 VAL 4 3HG2 VAL 4 9.818 -7.689 -7.689 37 2HG2 VAL 4 1HG2 VAL 4 9.180 -6.097 -6.097 38 3HG2 VAL 4 2HG2 VAL 4 8.509 -7.549 -7.549 39 H PHE 5 H PHE 5 8.954 -9.905 -9.905 40 HA PHE 5 HA PHE 5 8.347 -10.821 -10.821 41 1HB PHE 5 1HB PHE 5 8.390 -12.348 -12.348 42 2HB PHE 5 2HB PHE 5 6.833 -11.637 -11.637 43 HD1 PHE 5 1HD PHE 5 8.713 -13.290 -13.290 44 HD2 PHE 5 1HD PHE 5 4.843 -12.481 -12.481 45 HE1 PHE 5 2HE PHE 5 7.616 -14.524 -14.524 46 HE2 PHE 5 1HE PHE 5 3.772 -13.861 -13.861 47 HZ PHE 5 HZ PHE 5 5.158 -14.890 -14.890 48 H SER 6 H SER 6 8.040 -8.206 -8.206 49 HA SER 6 HA SER 6 5.218 -7.519 -7.519 50 1HB SER 6 1HB SER 6 6.002 -5.928 -5.928 51 2HB SER 6 2HB SER 6 6.545 -5.560 -5.560 52 HG SER 6 HG SER 6 7.969 -6.852 -6.852 53 H ARG 7 H ARG 7 3.806 -7.600 -7.600 54 HA ARG 7 HA ARG 7 4.532 -9.816 -9.816 55 1HB ARG 7 1HB ARG 7 1.739 -8.928 -8.928 56 2HB ARG 7 2HB ARG 7 2.307 -10.391 -10.391 57 1HG ARG 7 1HG ARG 7 3.437 -11.022 -11.022 58 2HG ARG 7 2HG ARG 7 2.461 -9.729 -9.729 59 1HD ARG 7 1HD ARG 7 1.471 -12.193 -12.193 60 2HD ARG 7 2HD ARG 7 1.281 -11.845 -11.845 61 HE ARG 7 HE ARG 7 0.080 -9.691 -9.691 62 1HH1 ARG 7 2HH2 ARG 7 -0.417 -13.199 -13.199 63 2HH1 ARG 7 1HH2 ARG 7 -2.114 -13.093 -13.093 64 1HH2 ARG 7 2HH1 ARG 7 -2.159 -9.566 -9.566 65 2HH2 ARG 7 1HH1 ARG 7 -3.053 -11.026 -11.026 66 H MET 8 H MET 8 5.013 -8.997 -8.997 67 HA MET 8 HA MET 8 4.531 -6.371 -6.371 68 1HB MET 8 1HB MET 8 4.884 -7.118 -7.118 69 2HB MET 8 2HB MET 8 6.119 -7.559 -7.559 70 1HG MET 8 1HG MET 8 4.888 -9.862 -9.862 71 2HG MET 8 2HG MET 8 4.146 -9.347 -9.347 72 1HE MET 8 2HE MET 8 5.507 -8.711 -8.711 73 2HE MET 8 3HE MET 8 6.719 -7.696 -7.696 74 3HE MET 8 1HE MET 8 7.239 -9.041 -9.041 75 HA PRO 9 HA PRO 9 0.101 -6.705 -6.705 76 1HB PRO 9 1HB PRO 9 -0.585 -4.192 -4.192 77 2HB PRO 9 2HB PRO 9 -0.073 -4.538 -4.538 78 1HG PRO 9 1HG PRO 9 1.654 -3.533 -3.533 79 2HG PRO 9 2HG PRO 9 1.559 -2.887 -2.887 80 1HD PRO 9 1HD PRO 9 3.526 -4.566 -4.566 81 2HD PRO 9 2HD PRO 9 2.708 -4.763 -4.763 82 H ILE 10 H ILE 10 -1.412 -7.232 -7.232 83 HA ILE 10 HA ILE 10 -0.505 -7.479 -7.479 84 HB ILE 10 HB ILE 10 -3.042 -8.247 -8.247 85 1HG1 ILE 10 1HG1 ILE 10 -0.650 -9.686 -9.686 86 2HG1 ILE 10 2HG1 ILE 10 -1.228 -9.734 -9.734 87 1HG2 ILE 10 3HG2 ILE 10 -3.557 -7.521 -7.521 88 2HG2 ILE 10 1HG2 ILE 10 -2.493 -8.827 -8.827 89 3HG2 ILE 10 2HG2 ILE 10 -3.954 -9.183 -9.183 90 1HD1 ILE 10 3HD1 ILE 10 -3.290 -10.967 -10.967 91 2HD1 ILE 10 1HD1 ILE 10 -2.313 -11.096 -11.096 92 3HD1 ILE 10 2HD1 ILE 10 -1.740 -11.832 -11.832 93 H CYS 11 H CYS 11 -0.364 -5.574 -5.574 94 HA CYS 11 HA CYS 11 -2.504 -3.516 -3.516 95 1HB CYS 11 1HB CYS 11 0.336 -3.284 -3.284 96 2HB CYS 11 2HB CYS 11 -0.861 -1.989 -1.989 97 H GLU 12 H GLU 12 -2.877 -2.279 -2.279 98 HA GLU 12 HA GLU 12 -4.085 -4.132 -4.132 99 1HB GLU 12 1HB GLU 12 -4.741 -2.136 -2.136 100 2HB GLU 12 2HB GLU 12 -4.968 -1.893 -1.893 101 1HG GLU 12 1HG GLU 12 -2.822 -0.579 -0.579 102 2HG GLU 12 2HG GLU 12 -2.653 -0.812 -0.812 103 H HIS 13 H HIS 13 -0.972 -4.237 -4.237 104 HA HIS 13 HA HIS 13 -0.182 -3.262 -3.262 105 1HB HIS 13 1HB HIS 13 1.336 -3.386 -3.386 106 2HB HIS 13 2HB HIS 13 1.295 -5.155 -5.155 107 HD1 HIS 13 HD1 HIS 13 3.085 -6.160 -6.160 108 HD2 HIS 13 HD2 HIS 13 2.088 -2.101 -2.101 109 HE1 HIS 13 HE1 HIS 13 4.544 -5.349 -5.349 110 HE2 HIS 13 HE2 HIS 13 3.911 -2.914 -2.914 111 H MET 14 H MET 14 -1.140 -6.469 -6.469 112 HA MET 14 HA MET 14 -0.895 -7.822 -7.822 113 1HB MET 14 1HB MET 14 -2.395 -8.558 -8.558 114 2HB MET 14 2HB MET 14 -2.006 -9.597 -9.597 115 1HG MET 14 1HG MET 14 -0.532 -10.095 -10.095 116 2HG MET 14 2HG MET 14 0.414 -9.360 -9.360 117 1HE MET 14 3HE MET 14 -1.083 -9.197 -9.197 118 2HE MET 14 1HE MET 14 -0.553 -7.609 -7.609 119 3HE MET 14 2HE MET 14 -1.757 -7.704 -7.704 120 H THR 15 H THR 15 -2.921 -8.779 -8.779 121 HA THR 15 HA THR 15 -4.452 -6.543 -6.543 122 HB THR 15 HB THR 15 -5.464 -8.385 -8.385 123 HG1 THR 15 HG1 THR 15 -5.148 -10.255 -10.255 124 1HG2 THR 15 2HG2 THR 15 -3.457 -7.059 -7.059 125 2HG2 THR 15 3HG2 THR 15 -2.402 -8.211 -8.211 126 3HG2 THR 15 1HG2 THR 15 -3.373 -8.740 -8.740 127 H GLU 16 H GLU 16 -5.222 -9.117 -9.117 128 HA GLU 16 HA GLU 16 -8.076 -8.573 -8.573 129 1HB GLU 16 1HB GLU 16 -6.337 -9.759 -9.759 130 2HB GLU 16 2HB GLU 16 -8.086 -9.778 -9.778 131 1HG GLU 16 1HG GLU 16 -8.034 -11.208 -11.208 132 2HG GLU 16 2HG GLU 16 -6.264 -11.219 -11.219 133 H SER 17 H SER 17 -9.111 -7.659 -7.659 134 HA SER 17 HA SER 17 -8.200 -5.116 -5.116 135 1HB SER 17 1HB SER 17 -10.524 -6.137 -6.137 136 2HB SER 17 2HB SER 17 -9.921 -7.116 -7.116 137 HG SER 17 HG SER 17 -10.880 -5.276 -5.276 138 HA PRO 18 HA PRO 18 -5.573 -6.674 -6.674 139 1HB PRO 18 1HB PRO 18 -5.204 -4.410 -4.410 140 2HB PRO 18 2HB PRO 18 -4.506 -4.617 -4.617 141 1HG PRO 18 1HG PRO 18 -7.062 -3.118 -3.118 142 2HG PRO 18 2HG PRO 18 -5.675 -2.555 -2.555 143 1HD PRO 18 1HD PRO 18 -7.945 -3.743 -3.743 144 2HD PRO 18 2HD PRO 18 -6.348 -3.848 -3.848 145 H ASP 19 H ASP 19 -6.998 -4.452 -4.452 146 HA ASP 19 HA ASP 19 -9.511 -5.898 -5.898 147 1HB ASP 19 1HB ASP 19 -7.163 -5.614 -5.614 148 2HB ASP 19 2HB ASP 19 -8.818 -5.683 -5.683 149 H CYS 20 H CYS 20 -9.688 -3.818 -3.818 150 HA CYS 20 HA CYS 20 -10.016 -1.430 -1.430 151 1HB CYS 20 1HB CYS 20 -9.797 -1.814 -1.814 152 2HB CYS 20 2HB CYS 20 -10.553 -0.392 -0.392 153 H SER 21 H SER 21 -11.865 -1.362 -1.362 154 HA SER 21 HA SER 21 -14.251 -1.051 -1.051 155 1HB SER 21 1HB SER 21 -14.164 -3.615 -3.615 156 2HB SER 21 2HB SER 21 -14.299 -3.407 -3.407 157 HG SER 21 HG SER 21 -16.344 -3.701 -3.701 158 H ARG 22 H ARG 22 -16.012 -0.890 -0.890 159 HA ARG 22 HA ARG 22 -14.863 1.288 1.288 160 1HB ARG 22 1HB ARG 22 -17.575 0.016 0.016 161 2HB ARG 22 2HB ARG 22 -17.318 0.976 0.976 162 1HG ARG 22 1HG ARG 22 -16.613 2.156 2.156 163 2HG ARG 22 2HG ARG 22 -18.284 2.156 2.156 164 1HD ARG 22 1HD ARG 22 -17.672 3.350 3.350 165 2HD ARG 22 2HD ARG 22 -15.959 3.102 3.102 166 HE ARG 22 HE ARG 22 -17.462 4.618 4.618 167 1HH1 ARG 22 2HH2 ARG 22 -15.247 4.794 4.794 168 2HH1 ARG 22 1HH2 ARG 22 -14.519 6.260 6.260 169 1HH2 ARG 22 2HH1 ARG 22 -16.447 6.597 6.597 170 2HH2 ARG 22 1HH1 ARG 22 -15.620 7.534 7.534 171 H ILE 23 H ILE 23 -13.855 -1.542 -1.542 172 HA ILE 23 HA ILE 23 -14.944 -2.278 -2.278 173 HB ILE 23 HB ILE 23 -12.629 -3.356 -3.356 174 1HG1 ILE 23 1HG1 ILE 23 -15.410 -4.531 -4.531 175 2HG1 ILE 23 2HG1 ILE 23 -15.016 -3.405 -3.405 176 1HG2 ILE 23 1HG2 ILE 23 -12.576 -4.029 -4.029 177 2HG2 ILE 23 2HG2 ILE 23 -14.173 -4.745 -4.745 178 3HG2 ILE 23 3HG2 ILE 23 -12.781 -5.381 -5.381 179 1HD1 ILE 23 2HD1 ILE 23 -13.146 -4.865 -4.865 180 2HD1 ILE 23 3HD1 ILE 23 -13.686 -6.094 -6.094 181 3HD1 ILE 23 1HD1 ILE 23 -14.741 -5.602 -5.602 182 H TYR 24 H TYR 24 -14.358 -1.252 -1.252 183 HA TYR 24 HA TYR 24 -11.681 -0.107 -0.107 184 1HB TYR 24 1HB TYR 24 -13.619 0.849 0.849 185 2HB TYR 24 2HB TYR 24 -14.096 -0.725 -0.725 186 HD1 TYR 24 HD2 TYR 24 -10.901 1.331 1.331 187 HD2 TYR 24 HD1 TYR 24 -13.975 -0.777 -0.777 188 HE1 TYR 24 HE2 TYR 24 -9.889 2.046 2.046 189 HE2 TYR 24 HE1 TYR 24 -12.951 -0.068 -0.068 190 HH TYR 24 HH TYR 24 -9.954 1.821 1.821 191 H ASP 25 H ASP 25 -9.979 -1.448 -1.448 192 HA ASP 25 HA ASP 25 -10.182 -3.552 -3.552 193 1HB ASP 25 1HB ASP 25 -10.679 -4.940 -4.940 194 2HB ASP 25 2HB ASP 25 -9.190 -4.346 -4.346 195 HA PRO 26 HA PRO 26 -6.780 -0.624 -0.624 196 1HB PRO 26 1HB PRO 26 -6.079 -0.147 -0.147 197 2HB PRO 26 2HB PRO 26 -7.424 0.660 0.660 198 1HG PRO 26 1HG PRO 26 -7.590 -1.702 -1.702 199 2HG PRO 26 2HG PRO 26 -8.676 -0.291 -0.291 200 1HD PRO 26 1HD PRO 26 -9.289 -2.696 -2.696 201 2HD PRO 26 2HD PRO 26 -9.770 -1.172 -1.172 202 H VAL 27 H VAL 27 -4.478 -0.478 -0.478 203 HA VAL 27 HA VAL 27 -3.145 -2.872 -2.872 204 HB VAL 27 HB VAL 27 -1.884 -3.168 -3.168 205 1HG1 VAL 27 2HG1 VAL 27 -3.896 -4.597 -4.597 206 2HG1 VAL 27 3HG1 VAL 27 -4.855 -3.462 -3.462 207 3HG1 VAL 27 1HG1 VAL 27 -3.519 -4.344 -4.344 208 1HG2 VAL 27 1HG2 VAL 27 -3.899 -1.208 -1.208 209 2HG2 VAL 27 2HG2 VAL 27 -2.151 -0.951 -0.951 210 3HG2 VAL 27 3HG2 VAL 27 -2.751 -2.193 -2.193 211 H CYS 28 H CYS 28 -0.833 -2.437 -2.437 212 HA CYS 28 HA CYS 28 -0.229 0.497 0.497 213 1HB CYS 28 1HB CYS 28 -0.211 -0.706 -0.706 214 2HB CYS 28 2HB CYS 28 1.031 -1.828 -1.828 215 H GLY 29 H GLY 29 1.186 1.354 1.354 216 1HA GLY 29 1HA GLY 29 2.620 -0.361 -0.361 217 2HA GLY 29 2HA GLY 29 2.559 1.402 1.402 218 H THR 30 H THR 30 4.953 -0.251 -0.251 219 HA THR 30 HA THR 30 6.714 -0.014 -0.014 220 HB THR 30 HB THR 30 8.440 -0.020 -0.020 221 HG1 THR 30 HG1 THR 30 7.569 -0.738 -0.738 222 1HG2 THR 30 1HG2 THR 30 6.478 -2.321 -2.321 223 2HG2 THR 30 2HG2 THR 30 8.082 -2.435 -2.435 224 3HG2 THR 30 3HG2 THR 30 7.948 -2.006 -2.006 225 H ASP 31 H ASP 31 5.327 2.412 2.412 226 HA ASP 31 HA ASP 31 7.326 4.468 4.468 227 1HB ASP 31 1HB ASP 31 5.945 5.936 5.936 228 2HB ASP 31 2HB ASP 31 5.925 4.431 4.431 229 H GLY 32 H GLY 32 4.963 2.814 2.814 230 1HA GLY 32 1HA GLY 32 4.438 3.131 3.131 231 2HA GLY 32 2HA GLY 32 5.148 4.749 4.749 232 H VAL 33 H VAL 33 2.960 4.463 4.463 233 HA VAL 33 HA VAL 33 0.962 5.990 5.990 234 HB VAL 33 HB VAL 33 1.309 5.452 5.452 235 1HG1 VAL 33 1HG1 VAL 33 -0.944 6.935 6.935 236 2HG1 VAL 33 2HG1 VAL 33 -0.613 7.038 7.038 237 3HG1 VAL 33 3HG1 VAL 33 -1.113 5.500 5.500 238 1HG2 VAL 33 1HG2 VAL 33 1.421 7.950 7.950 239 2HG2 VAL 33 2HG2 VAL 33 2.811 7.134 7.134 240 3HG2 VAL 33 3HG2 VAL 33 1.581 7.922 7.922 241 H THR 34 H THR 34 -0.994 5.199 5.199 242 HA THR 34 HA THR 34 -1.594 2.346 2.346 243 HB THR 34 HB THR 34 -3.098 4.504 4.504 244 HG1 THR 34 HG1 THR 34 -2.131 3.380 3.380 245 1HG2 THR 34 1HG2 THR 34 -3.343 1.471 1.471 246 2HG2 THR 34 2HG2 THR 34 -4.207 2.533 2.533 247 3HG2 THR 34 3HG2 THR 34 -4.559 2.627 2.627 248 H TYR 35 H TYR 35 -2.455 1.876 1.876 249 HA TYR 35 HA TYR 35 -4.118 3.893 3.893 250 1HB TYR 35 1HB TYR 35 -2.953 1.225 1.225 251 2HB TYR 35 2HB TYR 35 -3.986 2.235 2.235 252 HD1 TYR 35 HD1 TYR 35 -3.211 4.376 4.376 253 HD2 TYR 35 HD2 TYR 35 -0.628 1.969 1.969 254 HE1 TYR 35 HE1 TYR 35 -1.313 5.883 5.883 255 HE2 TYR 35 HE2 TYR 35 1.279 3.410 3.410 256 HH TYR 35 HH TYR 35 1.900 5.467 5.467 257 H GLU 36 H GLU 36 -6.217 3.280 3.280 258 HA GLU 36 HA GLU 36 -7.807 1.790 1.790 259 1HB GLU 36 1HB GLU 36 -8.526 3.023 3.023 260 2HB GLU 36 2HB GLU 36 -9.669 2.366 2.366 261 1HG GLU 36 1HG GLU 36 -9.123 4.054 4.054 262 2HG GLU 36 2HG GLU 36 -7.761 4.637 4.637 263 H SER 37 H SER 37 -6.286 1.025 1.025 264 HA SER 37 HA SER 37 -6.301 -1.660 -1.660 265 1HB SER 37 1HB SER 37 -7.874 -2.263 -2.263 266 2HB SER 37 2HB SER 37 -8.412 -2.258 -2.258 267 HG SER 37 HG SER 37 -9.418 -0.399 -0.399 268 H GLU 38 H GLU 38 -5.539 -2.963 -2.963 269 HA GLU 38 HA GLU 38 -3.410 -2.008 -2.008 270 1HB GLU 38 1HB GLU 38 -5.582 -3.983 -3.983 271 2HB GLU 38 2HB GLU 38 -4.284 -3.559 -3.559 272 1HG GLU 38 1HG GLU 38 -3.497 -5.443 -5.443 273 2HG GLU 38 2HG GLU 38 -2.611 -4.177 -4.177 274 H CYS 39 H CYS 39 -6.751 -1.437 -1.437 275 HA CYS 39 HA CYS 39 -5.991 -0.658 -0.658 276 1HB CYS 39 1HB CYS 39 -8.333 -0.954 -0.954 277 2HB CYS 39 2HB CYS 39 -8.226 0.572 0.572 278 H LYS 40 H LYS 40 -6.442 1.490 1.490 279 HA LYS 40 HA LYS 40 -5.436 3.869 3.869 280 1HB LYS 40 1HB LYS 40 -6.151 3.215 3.215 281 2HB LYS 40 2HB LYS 40 -5.583 4.811 4.811 282 1HG LYS 40 1HG LYS 40 -7.449 5.217 5.217 283 2HG LYS 40 2HG LYS 40 -7.908 3.506 3.506 284 1HD LYS 40 1HD LYS 40 -8.502 3.527 3.527 285 2HD LYS 40 2HD LYS 40 -8.046 5.227 5.227 286 1HE LYS 40 1HE LYS 40 -10.494 4.938 4.938 287 2HE LYS 40 2HE LYS 40 -9.863 5.852 5.852 288 1HZ LYS 40 1HZ LYS 40 -10.423 2.947 2.947 289 2HZ LYS 40 2HZ LYS 40 -11.483 4.070 4.070 290 3HZ LYS 40 3HZ LYS 40 -10.073 3.899 3.899 291 H LEU 41 H LEU 41 -4.055 1.302 1.302 292 HA LEU 41 HA LEU 41 -1.607 2.712 2.712 293 1HB LEU 41 1HB LEU 41 -2.346 0.652 0.652 294 2HB LEU 41 2HB LEU 41 -2.062 -0.285 -0.285 295 HG LEU 41 HG LEU 41 0.189 1.355 1.355 296 1HD1 LEU 41 2HD1 LEU 41 -0.717 -1.427 -1.427 297 2HD1 LEU 41 3HD1 LEU 41 0.813 -0.666 -0.666 298 3HD1 LEU 41 1HD1 LEU 41 -0.730 0.023 0.023 299 1HD2 LEU 41 3HD2 LEU 41 0.052 -1.228 -1.228 300 2HD2 LEU 41 1HD2 LEU 41 0.707 0.326 0.326 301 3HD2 LEU 41 2HD2 LEU 41 1.542 -0.578 -0.578 302 H CYS 42 H CYS 42 -2.593 0.482 0.482 303 HA CYS 42 HA CYS 42 -0.192 0.330 0.330 304 1HB CYS 42 1HB CYS 42 -3.089 -0.147 -0.147 305 2HB CYS 42 2HB CYS 42 -1.848 -0.254 -0.254 306 H LEU 43 H LEU 43 -3.132 2.318 2.318 307 HA LEU 43 HA LEU 43 -2.228 3.947 3.947 308 1HB LEU 43 1HB LEU 43 -3.976 4.329 4.329 309 2HB LEU 43 2HB LEU 43 -3.694 5.721 5.721 310 HG LEU 43 HG LEU 43 -4.779 3.151 3.151 311 1HD1 LEU 43 2HD1 LEU 43 -6.293 5.392 5.392 312 2HD1 LEU 43 3HD1 LEU 43 -7.044 4.287 4.287 313 3HD1 LEU 43 1HD1 LEU 43 -6.406 3.651 3.651 314 1HD2 LEU 43 3HD2 LEU 43 -3.917 4.996 4.996 315 2HD2 LEU 43 1HD2 LEU 43 -5.674 4.751 4.751 316 3HD2 LEU 43 2HD2 LEU 43 -5.050 6.118 6.118 317 H ALA 44 H ALA 44 -1.880 4.632 4.632 318 HA ALA 44 HA ALA 44 -0.425 6.991 6.991 319 1HB ALA 44 1HB ALA 44 -0.418 5.151 5.151 320 2HB ALA 44 2HB ALA 44 0.224 6.798 6.798 321 3HB ALA 44 1HB ALA 44 -1.521 6.519 6.519 322 H ARG 45 H ARG 45 0.799 3.647 3.647 323 HA ARG 45 HA ARG 45 3.524 4.546 4.546 324 1HB ARG 45 1HB ARG 45 4.093 2.208 2.208 325 2HB ARG 45 2HB ARG 45 2.806 2.422 2.422 326 1HG ARG 45 1HG ARG 45 1.204 1.645 1.645 327 2HG ARG 45 2HG ARG 45 2.195 1.658 1.658 328 1HD ARG 45 1HD ARG 45 2.706 -0.103 -0.103 329 2HD ARG 45 2HD ARG 45 1.916 -0.627 -0.627 330 HE ARG 45 HE ARG 45 4.170 0.608 0.608 331 1HH1 ARG 45 2HH2 ARG 45 4.062 -1.881 -1.881 332 2HH1 ARG 45 1HH2 ARG 45 4.999 -3.027 -3.027 333 1HH2 ARG 45 2HH1 ARG 45 5.530 -0.608 -0.608 334 2HH2 ARG 45 1HH1 ARG 45 6.150 -2.121 -2.121 335 H ILE 46 H ILE 46 1.342 3.695 3.695 336 HA ILE 46 HA ILE 46 3.640 3.721 3.721 337 HB ILE 46 HB ILE 46 0.659 3.764 3.764 338 1HG1 ILE 46 1HG1 ILE 46 2.789 1.564 1.564 339 2HG1 ILE 46 2HG1 ILE 46 1.588 1.667 1.667 340 1HG2 ILE 46 3HG2 ILE 46 2.001 4.819 4.819 341 2HG2 ILE 46 1HG2 ILE 46 3.056 3.397 3.397 342 3HG2 ILE 46 2HG2 ILE 46 1.346 3.271 3.271 343 1HD1 ILE 46 2HD1 ILE 46 -0.224 1.539 1.539 344 2HD1 ILE 46 3HD1 ILE 46 1.056 1.099 1.099 345 3HD1 ILE 46 1HD1 ILE 46 0.746 0.075 0.075 346 H GLU 47 H GLU 47 1.064 6.120 6.120 347 HA GLU 47 HA GLU 47 1.949 8.072 8.072 348 1HB GLU 47 1HB GLU 47 0.494 8.302 8.302 349 2HB GLU 47 2HB GLU 47 0.752 9.652 9.652 350 1HG GLU 47 1HG GLU 47 -0.662 7.089 7.089 351 2HG GLU 47 2HG GLU 47 -1.509 8.463 8.463 352 H ASN 48 H ASN 48 2.709 7.617 7.617 353 HA ASN 48 HA ASN 48 4.568 9.837 9.837 354 1HB ASN 48 1HB ASN 48 4.081 7.563 7.563 355 2HB ASN 48 2HB ASN 48 5.218 8.876 8.876 356 1HD2 ASN 48 2HD2 ASN 48 1.178 9.673 9.673 357 2HD2 ASN 48 1HD2 ASN 48 1.796 8.145 8.145 358 H LYS 49 H LYS 49 4.856 6.685 6.685 359 HA LYS 49 HA LYS 49 6.564 5.414 5.414 360 1HB LYS 49 1HB LYS 49 7.558 8.218 8.218 361 2HB LYS 49 2HB LYS 49 8.761 6.938 6.938 362 1HG LYS 49 1HG LYS 49 6.095 6.796 6.796 363 2HG LYS 49 2HG LYS 49 7.531 7.543 7.543 364 1HD LYS 49 1HD LYS 49 8.704 5.561 5.561 365 2HD LYS 49 2HD LYS 49 7.985 4.817 4.817 366 1HE LYS 49 1HE LYS 49 7.294 3.659 3.659 367 2HE LYS 49 2HE LYS 49 5.902 4.335 4.335 368 1HZ LYS 49 2HZ LYS 49 7.153 5.655 5.655 369 2HZ LYS 49 3HZ LYS 49 5.892 4.567 4.567 370 3HZ LYS 49 1HZ LYS 49 5.682 6.000 6.000 371 H GLN 50 H GLN 50 6.204 4.950 4.950 372 HA GLN 50 HA GLN 50 8.969 4.421 4.421 373 1HB GLN 50 1HB GLN 50 6.707 4.978 4.978 374 2HB GLN 50 2HB GLN 50 8.403 4.666 4.666 375 1HG GLN 50 1HG GLN 50 7.304 7.152 7.152 376 2HG GLN 50 2HG GLN 50 7.753 7.018 7.018 377 1HE2 GLN 50 2HE2 GLN 50 10.656 8.671 8.671 378 2HE2 GLN 50 1HE2 GLN 50 8.987 9.029 9.029 379 H ASP 51 H ASP 51 9.115 2.271 2.271 380 HA ASP 51 HA ASP 51 6.998 0.487 0.487 381 1HB ASP 51 1HB ASP 51 9.380 0.033 0.033 382 2HB ASP 51 2HB ASP 51 9.670 -0.074 -0.074 383 H ILE 52 H ILE 52 5.447 1.446 1.446 384 HA ILE 52 HA ILE 52 6.075 0.897 0.897 385 HB ILE 52 HB ILE 52 3.299 1.339 1.339 386 1HG1 ILE 52 1HG1 ILE 52 5.332 3.442 3.442 387 2HG1 ILE 52 2HG1 ILE 52 4.811 3.212 3.212 388 1HG2 ILE 52 1HG2 ILE 52 3.482 0.497 0.497 389 2HG2 ILE 52 2HG2 ILE 52 4.499 1.893 1.893 390 3HG2 ILE 52 3HG2 ILE 52 2.803 2.115 2.115 391 1HD1 ILE 52 2HD1 ILE 52 2.412 3.687 3.687 392 2HD1 ILE 52 3HD1 ILE 52 3.152 4.226 4.226 393 3HD1 ILE 52 1HD1 ILE 52 3.558 5.036 5.036 394 H GLN 53 H GLN 53 5.710 -0.992 -0.992 395 HA GLN 53 HA GLN 53 4.102 -3.102 -3.102 396 1HB GLN 53 1HB GLN 53 6.824 -3.396 -3.396 397 2HB GLN 53 2HB GLN 53 6.322 -3.906 -3.906 398 1HG GLN 53 1HG GLN 53 4.866 -5.608 -5.608 399 2HG GLN 53 2HG GLN 53 5.041 -4.868 -4.868 400 1HE2 GLN 53 2HE2 GLN 53 7.922 -6.571 -6.571 401 2HE2 GLN 53 1HE2 GLN 53 6.954 -5.134 -5.134 402 H ILE 54 H ILE 54 2.984 -4.454 -4.454 403 HA ILE 54 HA ILE 54 2.017 -2.936 -2.936 404 HB ILE 54 HB ILE 54 1.311 -5.644 -5.644 405 1HG1 ILE 54 1HG1 ILE 54 -0.312 -3.071 -3.071 406 2HG1 ILE 54 2HG1 ILE 54 0.711 -3.460 -3.460 407 1HG2 ILE 54 3HG2 ILE 54 0.233 -4.107 -4.107 408 2HG2 ILE 54 1HG2 ILE 54 -0.669 -5.421 -5.421 409 3HG2 ILE 54 2HG2 ILE 54 0.888 -5.758 -5.758 410 1HD1 ILE 54 2HD1 ILE 54 -1.620 -5.169 -5.169 411 2HD1 ILE 54 3HD1 ILE 54 -1.573 -4.069 -4.069 412 3HD1 ILE 54 1HD1 ILE 54 -0.537 -5.511 -5.511 413 H VAL 55 H VAL 55 3.010 -3.043 -3.043 414 HA VAL 55 HA VAL 55 5.059 -5.017 -5.017 415 HB VAL 55 HB VAL 55 3.646 -2.958 -2.958 416 1HG1 VAL 55 2HG1 VAL 55 6.274 -4.484 -4.484 417 2HG1 VAL 55 3HG1 VAL 55 5.632 -3.237 -3.237 418 3HG1 VAL 55 1HG1 VAL 55 4.785 -4.777 -4.777 419 1HG2 VAL 55 3HG2 VAL 55 6.277 -2.781 -2.781 420 2HG2 VAL 55 1HG2 VAL 55 4.809 -1.850 -1.850 421 3HG2 VAL 55 2HG2 VAL 55 5.669 -1.582 -1.582 422 H LYS 56 H LYS 56 1.656 -4.255 -4.255 423 HA LYS 56 HA LYS 56 1.085 -7.025 -7.025 424 1HB LYS 56 1HB LYS 56 0.552 -7.189 -7.189 425 2HB LYS 56 2HB LYS 56 2.233 -6.714 -6.714 426 1HG LYS 56 1HG LYS 56 0.077 -4.614 -4.614 427 2HG LYS 56 2HG LYS 56 0.562 -5.661 -5.661 428 1HD LYS 56 1HD LYS 56 2.815 -4.886 -4.886 429 2HD LYS 56 2HD LYS 56 2.586 -4.025 -4.025 430 1HE LYS 56 1HE LYS 56 2.596 -2.466 -2.466 431 2HE LYS 56 2HE LYS 56 1.082 -2.424 -2.424 432 1HZ LYS 56 3HZ LYS 56 1.362 -3.994 -3.994 433 2HZ LYS 56 1HZ LYS 56 0.815 -2.419 -2.419 434 3HZ LYS 56 2HZ LYS 56 -0.005 -3.582 -3.582 435 H ASP 57 H ASP 57 -1.090 -7.398 -7.398 436 HA ASP 57 HA ASP 57 -3.072 -5.983 -5.983 437 1HB ASP 57 1HB ASP 57 -3.418 -7.696 -7.696 438 2HB ASP 57 2HB ASP 57 -4.599 -7.430 -7.430 439 H GLY 58 H GLY 58 -4.592 -4.413 -4.413 440 1HA GLY 58 1HA GLY 58 -5.907 -3.320 -3.320 441 2HA GLY 58 2HA GLY 58 -5.191 -4.149 -4.149 442 H GLU 59 H GLU 59 -5.803 -1.768 -1.768 443 HA GLU 59 HA GLU 59 -4.196 0.344 0.344 444 1HB GLU 59 1HB GLU 59 -5.735 0.392 0.392 445 2HB GLU 59 2HB GLU 59 -5.258 1.760 1.760 446 1HG GLU 59 1HG GLU 59 -6.548 0.568 0.568 447 2HG GLU 59 2HG GLU 59 -7.357 -0.368 -0.368 448 H CYS 60 H CYS 60 -2.379 1.358 1.358 449 HA CYS 60 HA CYS 60 -0.539 -0.729 -0.729 450 1HB CYS 60 1HB CYS 60 -0.162 1.525 1.525 451 2HB CYS 60 2HB CYS 60 0.270 1.880 1.880 Start of MODEL 17 1 1H GLU 1 3HN GLU 1 6.748 -19.028 -19.028 2 2H GLU 1 1HN GLU 1 7.726 -18.769 -18.769 3 3H GLU 1 2HN GLU 1 6.074 -18.841 -18.841 4 HA GLU 1 HA GLU 1 5.827 -16.805 -16.805 5 1HB GLU 1 1HB GLU 1 8.043 -16.638 -16.638 6 2HB GLU 1 2HB GLU 1 7.331 -15.240 -15.240 7 1HG GLU 1 1HG GLU 1 6.420 -15.732 -15.732 8 2HG GLU 1 2HG GLU 1 5.206 -15.577 -15.577 9 H LYS 2 H LYS 2 7.334 -14.822 -14.822 10 HA LYS 2 HA LYS 2 9.250 -16.048 -16.048 11 1HB LYS 2 1HB LYS 2 8.617 -13.284 -13.284 12 2HB LYS 2 2HB LYS 2 8.469 -14.682 -14.682 13 1HG LYS 2 1HG LYS 2 6.378 -13.676 -13.676 14 2HG LYS 2 2HG LYS 2 6.395 -13.400 -13.400 15 1HD LYS 2 1HD LYS 2 6.192 -16.246 -16.246 16 2HD LYS 2 2HD LYS 2 4.795 -15.173 -15.173 17 1HE LYS 2 1HE LYS 2 5.186 -14.910 -14.910 18 2HE LYS 2 2HE LYS 2 6.640 -15.923 -15.923 19 1HZ LYS 2 1HZ LYS 2 3.868 -16.808 -16.808 20 2HZ LYS 2 2HZ LYS 2 4.752 -17.121 -17.121 21 3HZ LYS 2 3HZ LYS 2 5.218 -17.770 -17.770 22 H GLN 3 H GLN 3 11.328 -14.895 -14.895 23 HA GLN 3 HA GLN 3 12.494 -14.288 -14.288 24 1HB GLN 3 1HB GLN 3 14.192 -12.925 -12.925 25 2HB GLN 3 2HB GLN 3 14.141 -14.672 -14.672 26 1HG GLN 3 1HG GLN 3 12.378 -13.308 -13.308 27 2HG GLN 3 2HG GLN 3 14.093 -13.025 -13.025 28 1HE2 GLN 3 2HE2 GLN 3 14.697 -16.238 -16.238 29 2HE2 GLN 3 1HE2 GLN 3 15.275 -14.594 -14.594 30 H VAL 4 H VAL 4 11.515 -12.005 -12.005 31 HA VAL 4 HA VAL 4 11.831 -9.684 -9.684 32 HB VAL 4 HB VAL 4 10.193 -10.085 -10.085 33 1HG1 VAL 4 2HG1 VAL 4 11.425 -7.604 -7.604 34 2HG1 VAL 4 3HG1 VAL 4 10.565 -7.641 -7.641 35 3HG1 VAL 4 1HG1 VAL 4 9.694 -7.988 -7.988 36 1HG2 VAL 4 3HG2 VAL 4 13.132 -9.367 -9.367 37 2HG2 VAL 4 1HG2 VAL 4 12.516 -10.761 -10.761 38 3HG2 VAL 4 2HG2 VAL 4 12.299 -9.137 -9.137 39 H PHE 5 H PHE 5 10.360 -8.776 -8.776 40 HA PHE 5 HA PHE 5 8.484 -10.551 -10.551 41 1HB PHE 5 1HB PHE 5 7.831 -8.581 -8.581 42 2HB PHE 5 2HB PHE 5 9.553 -8.933 -8.933 43 HD1 PHE 5 1HD PHE 5 11.162 -7.372 -7.372 44 HD2 PHE 5 1HD PHE 5 6.925 -6.535 -6.535 45 HE1 PHE 5 1HE PHE 5 11.611 -5.012 -5.012 46 HE2 PHE 5 2HE PHE 5 7.399 -4.175 -4.175 47 HZ PHE 5 HZ PHE 5 9.745 -3.393 -3.393 48 H SER 6 H SER 6 8.082 -7.696 -7.696 49 HA SER 6 HA SER 6 5.330 -7.501 -7.501 50 1HB SER 6 1HB SER 6 5.700 -6.074 -6.074 51 2HB SER 6 2HB SER 6 6.390 -5.551 -5.551 52 HG SER 6 HG SER 6 7.779 -7.075 -7.075 53 H ARG 7 H ARG 7 3.640 -7.637 -7.637 54 HA ARG 7 HA ARG 7 3.794 -9.887 -9.887 55 1HB ARG 7 1HB ARG 7 1.542 -8.125 -8.125 56 2HB ARG 7 2HB ARG 7 1.395 -9.070 -9.070 57 1HG ARG 7 1HG ARG 7 1.752 -11.164 -11.164 58 2HG ARG 7 2HG ARG 7 2.092 -10.335 -10.335 59 1HD ARG 7 1HD ARG 7 -0.560 -10.194 -10.194 60 2HD ARG 7 2HD ARG 7 -0.234 -11.271 -11.271 61 HE ARG 7 HE ARG 7 0.468 -8.733 -8.733 62 1HH1 ARG 7 2HH2 ARG 7 -2.696 -10.302 -10.302 63 2HH1 ARG 7 1HH2 ARG 7 -3.505 -9.073 -9.073 64 1HH2 ARG 7 2HH1 ARG 7 -0.705 -7.270 -7.270 65 2HH2 ARG 7 1HH1 ARG 7 -2.482 -7.345 -7.345 66 H MET 8 H MET 8 3.704 -9.443 -9.443 67 HA MET 8 HA MET 8 4.548 -6.745 -6.745 68 1HB MET 8 1HB MET 8 3.926 -9.304 -9.304 69 2HB MET 8 2HB MET 8 4.491 -7.802 -7.802 70 1HG MET 8 1HG MET 8 5.977 -9.455 -9.455 71 2HG MET 8 2HG MET 8 6.293 -9.456 -9.456 72 1HE MET 8 2HE MET 8 7.347 -7.326 -7.326 73 2HE MET 8 3HE MET 8 6.100 -6.239 -6.239 74 3HE MET 8 1HE MET 8 7.814 -5.824 -5.824 75 HA PRO 9 HA PRO 9 0.091 -6.087 -6.087 76 1HB PRO 9 1HB PRO 9 -0.044 -3.587 -3.587 77 2HB PRO 9 2HB PRO 9 0.576 -3.917 -3.917 78 1HG PRO 9 1HG PRO 9 2.240 -3.413 -3.413 79 2HG PRO 9 2HG PRO 9 2.414 -2.697 -2.697 80 1HD PRO 9 1HD PRO 9 3.825 -4.917 -4.917 81 2HD PRO 9 2HD PRO 9 3.431 -4.652 -4.652 82 H ILE 10 H ILE 10 -1.240 -6.600 -6.600 83 HA ILE 10 HA ILE 10 -0.186 -7.069 -7.069 84 HB ILE 10 HB ILE 10 -3.035 -7.033 -7.033 85 1HG1 ILE 10 1HG1 ILE 10 -0.987 -9.270 -9.270 86 2HG1 ILE 10 2HG1 ILE 10 -1.601 -8.688 -8.688 87 1HG2 ILE 10 3HG2 ILE 10 -2.894 -6.732 -6.732 88 2HG2 ILE 10 1HG2 ILE 10 -1.952 -8.231 -8.231 89 3HG2 ILE 10 2HG2 ILE 10 -3.636 -8.245 -8.245 90 1HD1 ILE 10 1HD1 ILE 10 -3.907 -9.376 -9.376 91 2HD1 ILE 10 2HD1 ILE 10 -3.152 -10.161 -10.161 92 3HD1 ILE 10 3HD1 ILE 10 -2.748 -10.696 -10.696 93 H CYS 11 H CYS 11 0.708 -5.041 -5.041 94 HA CYS 11 HA CYS 11 -1.191 -2.939 -2.939 95 1HB CYS 11 1HB CYS 11 1.450 -2.687 -2.687 96 2HB CYS 11 2HB CYS 11 0.582 -1.359 -1.359 97 H GLU 12 H GLU 12 0.724 -1.338 -1.338 98 HA GLU 12 HA GLU 12 1.905 -1.004 -1.004 99 1HB GLU 12 1HB GLU 12 3.427 -2.868 -2.868 100 2HB GLU 12 2HB GLU 12 3.033 -3.789 -3.789 101 1HG GLU 12 1HG GLU 12 3.921 -1.912 -1.912 102 2HG GLU 12 2HG GLU 12 4.249 -0.985 -0.985 103 H HIS 13 H HIS 13 -0.789 -2.057 -2.057 104 HA HIS 13 HA HIS 13 -1.190 -3.481 -3.481 105 1HB HIS 13 1HB HIS 13 -2.383 -3.833 -3.833 106 2HB HIS 13 2HB HIS 13 -3.485 -2.661 -2.661 107 HD1 HIS 13 HD1 HIS 13 -2.362 -6.243 -6.243 108 HD2 HIS 13 HD2 HIS 13 -4.613 -3.479 -3.479 109 HE1 HIS 13 HE1 HIS 13 -3.583 -7.591 -7.591 110 HE2 HIS 13 HE2 HIS 13 -4.908 -5.869 -5.869 111 H MET 14 H MET 14 -1.020 -1.925 -1.925 112 HA MET 14 HA MET 14 -1.765 0.830 0.830 113 1HB MET 14 1HB MET 14 -1.686 -0.846 -0.846 114 2HB MET 14 2HB MET 14 -1.562 0.911 0.911 115 1HG MET 14 1HG MET 14 0.643 0.584 0.584 116 2HG MET 14 2HG MET 14 0.510 0.200 0.200 117 1HE MET 14 2HE MET 14 1.057 -1.010 -1.010 118 2HE MET 14 3HE MET 14 1.075 -2.778 -2.778 119 3HE MET 14 1HE MET 14 -0.451 -1.894 -1.894 120 H THR 15 H THR 15 -3.704 1.684 1.684 121 HA THR 15 HA THR 15 -5.826 1.964 1.964 122 HB THR 15 HB THR 15 -6.509 0.677 0.677 123 HG1 THR 15 HG1 THR 15 -4.901 -1.378 -1.378 124 1HG2 THR 15 3HG2 THR 15 -4.535 1.987 1.987 125 2HG2 THR 15 1HG2 THR 15 -3.507 0.562 0.562 126 3HG2 THR 15 2HG2 THR 15 -4.677 0.546 0.546 127 H GLU 16 H GLU 16 -5.625 1.226 1.226 128 HA GLU 16 HA GLU 16 -7.534 -0.845 -0.845 129 1HB GLU 16 1HB GLU 16 -6.494 1.532 1.532 130 2HB GLU 16 2HB GLU 16 -7.368 0.139 0.139 131 1HG GLU 16 1HG GLU 16 -5.134 -0.876 -0.876 132 2HG GLU 16 2HG GLU 16 -4.534 0.414 0.414 133 H SER 17 H SER 17 -9.625 -0.366 -0.366 134 HA SER 17 HA SER 17 -11.031 1.984 1.984 135 1HB SER 17 1HB SER 17 -12.563 -0.092 -0.092 136 2HB SER 17 2HB SER 17 -12.946 0.828 0.828 137 HG SER 17 HG SER 17 -11.138 -1.343 -1.343 138 HA PRO 18 HA PRO 18 -10.002 3.449 3.449 139 1HB PRO 18 1HB PRO 18 -11.024 6.025 6.025 140 2HB PRO 18 2HB PRO 18 -9.411 5.503 5.503 141 1HG PRO 18 1HG PRO 18 -11.948 5.749 5.749 142 2HG PRO 18 2HG PRO 18 -10.315 6.360 6.360 143 1HD PRO 18 1HD PRO 18 -11.206 4.073 4.073 144 2HD PRO 18 2HD PRO 18 -9.527 4.145 4.145 145 H ASP 19 H ASP 19 -13.154 3.018 3.018 146 HA ASP 19 HA ASP 19 -14.733 3.323 3.323 147 1HB ASP 19 1HB ASP 19 -14.911 1.423 1.423 148 2HB ASP 19 2HB ASP 19 -16.148 1.549 1.549 149 H CYS 20 H CYS 20 -12.902 2.459 2.459 150 HA CYS 20 HA CYS 20 -12.360 -0.446 -0.446 151 1HB CYS 20 1HB CYS 20 -11.363 1.736 1.736 152 2HB CYS 20 2HB CYS 20 -10.976 0.034 0.034 153 H SER 21 H SER 21 -14.769 -0.559 -0.559 154 HA SER 21 HA SER 21 -16.656 0.108 0.108 155 1HB SER 21 1HB SER 21 -16.275 -2.762 -2.762 156 2HB SER 21 2HB SER 21 -17.814 -1.939 -1.939 157 HG SER 21 HG SER 21 -17.496 -0.691 -0.691 158 H ARG 22 H ARG 22 -16.132 0.517 0.517 159 HA ARG 22 HA ARG 22 -15.716 0.169 0.169 160 1HB ARG 22 1HB ARG 22 -17.791 -1.874 -1.874 161 2HB ARG 22 2HB ARG 22 -17.519 -1.340 -1.340 162 1HG ARG 22 1HG ARG 22 -18.231 0.641 0.641 163 2HG ARG 22 2HG ARG 22 -19.447 -0.329 -0.329 164 1HD ARG 22 1HD ARG 22 -19.376 1.783 1.783 165 2HD ARG 22 2HD ARG 22 -18.803 0.568 0.568 166 HE ARG 22 HE ARG 22 -16.507 1.361 1.361 167 1HH1 ARG 22 2HH2 ARG 22 -19.072 3.732 3.732 168 2HH1 ARG 22 1HH2 ARG 22 -18.104 5.021 5.021 169 1HH2 ARG 22 2HH1 ARG 22 -15.372 3.148 3.148 170 2HH2 ARG 22 1HH1 ARG 22 -16.138 4.750 4.750 171 H ILE 23 H ILE 23 -13.673 -1.081 -1.081 172 HA ILE 23 HA ILE 23 -13.149 -3.654 -3.654 173 HB ILE 23 HB ILE 23 -11.245 -1.815 -1.815 174 1HG1 ILE 23 1HG1 ILE 23 -12.847 -4.227 -4.227 175 2HG1 ILE 23 2HG1 ILE 23 -13.153 -2.549 -2.549 176 1HG2 ILE 23 1HG2 ILE 23 -10.228 -3.586 -3.586 177 2HG2 ILE 23 2HG2 ILE 23 -11.051 -4.810 -4.810 178 3HG2 ILE 23 3HG2 ILE 23 -9.805 -3.772 -3.772 179 1HD1 ILE 23 2HD1 ILE 23 -10.812 -2.449 -2.449 180 2HD1 ILE 23 3HD1 ILE 23 -10.764 -4.221 -4.221 181 3HD1 ILE 23 1HD1 ILE 23 -12.010 -3.471 -3.471 182 H TYR 24 H TYR 24 -13.950 -2.549 -2.549 183 HA TYR 24 HA TYR 24 -12.135 -0.610 -0.610 184 1HB TYR 24 1HB TYR 24 -14.567 -0.394 -0.394 185 2HB TYR 24 2HB TYR 24 -14.649 -2.026 -2.026 186 HD1 TYR 24 HD2 TYR 24 -12.432 0.982 0.982 187 HD2 TYR 24 HD1 TYR 24 -15.259 -1.862 -1.862 188 HE1 TYR 24 HE2 TYR 24 -11.976 1.773 1.773 189 HE2 TYR 24 HE1 TYR 24 -14.781 -1.073 -1.073 190 HH TYR 24 HH TYR 24 -12.367 1.425 1.425 191 H ASP 25 H ASP 25 -10.221 -1.909 -1.909 192 HA ASP 25 HA ASP 25 -10.045 -3.947 -3.947 193 1HB ASP 25 1HB ASP 25 -10.728 -5.190 -5.190 194 2HB ASP 25 2HB ASP 25 -9.296 -4.530 -4.530 195 HA PRO 26 HA PRO 26 -6.868 -0.787 -0.787 196 1HB PRO 26 1HB PRO 26 -6.280 -0.380 -0.380 197 2HB PRO 26 2HB PRO 26 -7.398 0.565 0.565 198 1HG PRO 26 1HG PRO 26 -8.033 -1.791 -1.791 199 2HG PRO 26 2HG PRO 26 -8.964 -0.273 -0.273 200 1HD PRO 26 1HD PRO 26 -9.762 -2.491 -2.491 201 2HD PRO 26 2HD PRO 26 -9.794 -0.958 -0.958 202 H VAL 27 H VAL 27 -4.584 -0.665 -0.665 203 HA VAL 27 HA VAL 27 -3.230 -2.978 -2.978 204 HB VAL 27 HB VAL 27 -1.961 -3.438 -3.438 205 1HG1 VAL 27 3HG1 VAL 27 -3.913 -4.869 -4.869 206 2HG1 VAL 27 1HG1 VAL 27 -4.931 -3.904 -3.904 207 3HG1 VAL 27 2HG1 VAL 27 -3.589 -4.845 -4.845 208 1HG2 VAL 27 1HG2 VAL 27 -4.040 -1.667 -1.667 209 2HG2 VAL 27 2HG2 VAL 27 -2.295 -1.371 -1.371 210 3HG2 VAL 27 3HG2 VAL 27 -2.915 -2.736 -2.736 211 H CYS 28 H CYS 28 -1.122 -2.550 -2.550 212 HA CYS 28 HA CYS 28 -0.522 0.305 0.305 213 1HB CYS 28 1HB CYS 28 -0.304 -1.111 -1.111 214 2HB CYS 28 2HB CYS 28 0.562 -2.301 -2.301 215 H GLY 29 H GLY 29 1.066 1.440 1.440 216 1HA GLY 29 1HA GLY 29 2.667 -0.058 -0.058 217 2HA GLY 29 2HA GLY 29 2.576 1.682 1.682 218 H THR 30 H THR 30 4.863 -0.093 -0.093 219 HA THR 30 HA THR 30 6.364 -0.451 -0.451 220 HB THR 30 HB THR 30 8.256 0.018 0.018 221 HG1 THR 30 HG1 THR 30 5.939 -1.032 -1.032 222 1HG2 THR 30 3HG2 THR 30 6.585 -2.511 -2.511 223 2HG2 THR 30 1HG2 THR 30 8.166 -2.407 -2.407 224 3HG2 THR 30 2HG2 THR 30 8.033 -2.056 -2.056 225 H ASP 31 H ASP 31 5.639 2.526 2.526 226 HA ASP 31 HA ASP 31 7.822 3.926 3.926 227 1HB ASP 31 1HB ASP 31 7.334 5.821 5.821 228 2HB ASP 31 2HB ASP 31 7.271 4.464 4.464 229 H GLY 32 H GLY 32 4.879 2.711 2.711 230 1HA GLY 32 1HA GLY 32 3.980 3.069 3.069 231 2HA GLY 32 2HA GLY 32 4.577 4.727 4.727 232 H VAL 33 H VAL 33 3.378 4.674 4.674 233 HA VAL 33 HA VAL 33 0.900 5.937 5.937 234 HB VAL 33 HB VAL 33 2.056 5.824 5.824 235 1HG1 VAL 33 3HG1 VAL 33 -0.258 7.391 7.391 236 2HG1 VAL 33 1HG1 VAL 33 0.400 7.618 7.618 237 3HG1 VAL 33 2HG1 VAL 33 -0.400 6.097 6.097 238 1HG2 VAL 33 2HG2 VAL 33 2.099 7.947 7.947 239 2HG2 VAL 33 3HG2 VAL 33 3.500 7.127 7.127 240 3HG2 VAL 33 1HG2 VAL 33 2.521 8.243 8.243 241 H THR 34 H THR 34 -0.626 4.531 4.531 242 HA THR 34 HA THR 34 -1.105 2.038 2.038 243 HB THR 34 HB THR 34 -2.769 3.677 3.677 244 HG1 THR 34 HG1 THR 34 -1.589 2.599 2.599 245 1HG2 THR 34 2HG2 THR 34 -4.034 1.716 1.716 246 2HG2 THR 34 3HG2 THR 34 -2.773 0.650 0.650 247 3HG2 THR 34 1HG2 THR 34 -3.776 1.632 1.632 248 H TYR 35 H TYR 35 -3.122 1.550 1.550 249 HA TYR 35 HA TYR 35 -4.470 3.850 3.850 250 1HB TYR 35 1HB TYR 35 -3.566 1.211 1.211 251 2HB TYR 35 2HB TYR 35 -4.492 2.464 2.464 252 HD1 TYR 35 HD2 TYR 35 -3.487 4.803 4.803 253 HD2 TYR 35 HD1 TYR 35 -1.194 1.435 1.435 254 HE1 TYR 35 HE2 TYR 35 -1.396 5.987 5.987 255 HE2 TYR 35 HE1 TYR 35 0.869 2.524 2.524 256 HH TYR 35 HH TYR 35 1.804 4.647 4.647 257 H GLU 36 H GLU 36 -6.590 3.305 3.305 258 HA GLU 36 HA GLU 36 -8.129 1.704 1.704 259 1HB GLU 36 1HB GLU 36 -8.774 3.838 3.838 260 2HB GLU 36 2HB GLU 36 -9.205 2.604 2.604 261 1HG GLU 36 1HG GLU 36 -10.667 1.488 1.488 262 2HG GLU 36 2HG GLU 36 -10.251 2.646 2.646 263 H SER 37 H SER 37 -6.456 0.917 0.917 264 HA SER 37 HA SER 37 -6.445 -1.724 -1.724 265 1HB SER 37 1HB SER 37 -7.750 -2.696 -2.696 266 2HB SER 37 2HB SER 37 -8.713 -2.121 -2.121 267 HG SER 37 HG SER 37 -9.652 -1.070 -1.070 268 H GLU 38 H GLU 38 -5.586 -3.046 -3.046 269 HA GLU 38 HA GLU 38 -3.420 -2.209 -2.209 270 1HB GLU 38 1HB GLU 38 -5.880 -3.769 -3.769 271 2HB GLU 38 2HB GLU 38 -4.575 -3.435 -3.435 272 1HG GLU 38 1HG GLU 38 -4.356 -5.604 -5.604 273 2HG GLU 38 2HG GLU 38 -2.954 -4.574 -4.574 274 H CYS 39 H CYS 39 -6.767 -1.388 -1.388 275 HA CYS 39 HA CYS 39 -5.858 -0.282 -0.282 276 1HB CYS 39 1HB CYS 39 -8.161 -0.708 -0.708 277 2HB CYS 39 2HB CYS 39 -8.359 0.284 0.284 278 H LYS 40 H LYS 40 -6.623 1.521 1.521 279 HA LYS 40 HA LYS 40 -5.546 4.035 4.035 280 1HB LYS 40 1HB LYS 40 -6.193 2.838 2.838 281 2HB LYS 40 2HB LYS 40 -5.563 4.480 4.480 282 1HG LYS 40 1HG LYS 40 -7.875 4.730 4.730 283 2HG LYS 40 2HG LYS 40 -7.449 4.900 4.900 284 1HD LYS 40 1HD LYS 40 -8.454 2.824 2.824 285 2HD LYS 40 2HD LYS 40 -8.511 2.285 2.285 286 1HE LYS 40 1HE LYS 40 -10.742 2.943 2.943 287 2HE LYS 40 2HE LYS 40 -10.181 4.005 4.005 288 1HZ LYS 40 2HZ LYS 40 -9.599 5.617 5.617 289 2HZ LYS 40 3HZ LYS 40 -10.466 4.617 4.617 290 3HZ LYS 40 1HZ LYS 40 -11.181 5.305 5.305 291 H LEU 41 H LEU 41 -3.956 1.126 1.126 292 HA LEU 41 HA LEU 41 -1.479 2.537 2.537 293 1HB LEU 41 1HB LEU 41 -2.073 0.314 0.314 294 2HB LEU 41 2HB LEU 41 -1.885 -0.426 -0.426 295 HG LEU 41 HG LEU 41 0.410 1.184 1.184 296 1HD1 LEU 41 1HD1 LEU 41 -0.308 -1.697 -1.697 297 2HD1 LEU 41 2HD1 LEU 41 1.251 -0.941 -0.941 298 3HD1 LEU 41 3HD1 LEU 41 -0.231 -0.376 -0.376 299 1HD2 LEU 41 2HD2 LEU 41 0.269 -1.296 -1.296 300 2HD2 LEU 41 3HD2 LEU 41 0.619 0.343 0.343 301 3HD2 LEU 41 1HD2 LEU 41 1.751 -0.463 -0.463 302 H CYS 42 H CYS 42 -2.700 0.633 0.633 303 HA CYS 42 HA CYS 42 -0.435 0.821 0.821 304 1HB CYS 42 1HB CYS 42 -3.336 0.583 0.583 305 2HB CYS 42 2HB CYS 42 -1.881 0.228 0.228 306 H LEU 43 H LEU 43 -3.356 2.842 2.842 307 HA LEU 43 HA LEU 43 -2.778 4.745 4.745 308 1HB LEU 43 1HB LEU 43 -4.151 4.738 4.738 309 2HB LEU 43 2HB LEU 43 -3.978 6.279 6.279 310 HG LEU 43 HG LEU 43 -5.208 3.916 3.916 311 1HD1 LEU 43 3HD1 LEU 43 -6.609 5.871 5.871 312 2HD1 LEU 43 1HD1 LEU 43 -7.449 4.930 4.930 313 3HD1 LEU 43 2HD1 LEU 43 -6.636 4.092 4.092 314 1HD2 LEU 43 1HD2 LEU 43 -4.530 5.943 5.943 315 2HD2 LEU 43 2HD2 LEU 43 -6.288 5.726 5.726 316 3HD2 LEU 43 3HD2 LEU 43 -5.544 6.943 6.943 317 H ALA 44 H ALA 44 -1.844 5.041 5.041 318 HA ALA 44 HA ALA 44 -0.153 7.269 7.269 319 1HB ALA 44 1HB ALA 44 -0.030 5.230 5.230 320 2HB ALA 44 2HB ALA 44 0.886 6.750 6.750 321 3HB ALA 44 1HB ALA 44 -0.884 6.795 6.795 322 H ARG 45 H ARG 45 0.549 3.820 3.820 323 HA ARG 45 HA ARG 45 3.355 3.862 3.862 324 1HB ARG 45 1HB ARG 45 1.693 1.921 1.921 325 2HB ARG 45 2HB ARG 45 1.536 1.922 1.922 326 1HG ARG 45 1HG ARG 45 3.999 1.486 1.486 327 2HG ARG 45 2HG ARG 45 4.047 1.483 1.483 328 1HD ARG 45 1HD ARG 45 2.014 -0.277 -0.277 329 2HD ARG 45 2HD ARG 45 2.800 -0.524 -0.524 330 HE ARG 45 HE ARG 45 3.754 -1.208 -1.208 331 1HH1 ARG 45 2HH2 ARG 45 4.782 -0.904 -0.904 332 2HH1 ARG 45 1HH2 ARG 45 6.107 -2.020 -2.020 333 1HH2 ARG 45 2HH1 ARG 45 5.381 -2.699 -2.699 334 2HH2 ARG 45 1HH1 ARG 45 6.624 -2.768 -2.768 335 H ILE 46 H ILE 46 0.833 4.035 4.035 336 HA ILE 46 HA ILE 46 2.790 4.208 4.208 337 HB ILE 46 HB ILE 46 -0.170 4.702 4.702 338 1HG1 ILE 46 1HG1 ILE 46 1.428 2.494 2.494 339 2HG1 ILE 46 2HG1 ILE 46 0.822 2.328 2.328 340 1HG2 ILE 46 2HG2 ILE 46 1.615 4.672 4.672 341 2HG2 ILE 46 3HG2 ILE 46 -0.161 4.739 4.739 342 3HG2 ILE 46 1HG2 ILE 46 0.748 6.086 6.086 343 1HD1 ILE 46 1HD1 ILE 46 -1.003 2.756 2.756 344 2HD1 ILE 46 2HD1 ILE 46 -0.621 1.216 1.216 345 3HD1 ILE 46 3HD1 ILE 46 -1.483 2.467 2.467 346 H GLU 47 H GLU 47 0.636 6.641 6.641 347 HA GLU 47 HA GLU 47 1.508 8.782 8.782 348 1HB GLU 47 1HB GLU 47 0.155 8.569 8.569 349 2HB GLU 47 2HB GLU 47 0.763 10.128 10.128 350 1HG GLU 47 1HG GLU 47 -1.467 9.974 9.974 351 2HG GLU 47 2HG GLU 47 -0.476 9.796 9.796 352 H ASN 48 H ASN 48 2.706 7.748 7.748 353 HA ASN 48 HA ASN 48 4.878 9.652 9.652 354 1HB ASN 48 1HB ASN 48 4.468 7.067 7.067 355 2HB ASN 48 2HB ASN 48 5.736 8.244 8.244 356 1HD2 ASN 48 2HD2 ASN 48 1.946 9.263 9.263 357 2HD2 ASN 48 1HD2 ASN 48 2.144 8.113 8.113 358 H LYS 49 H LYS 49 4.475 6.560 6.560 359 HA LYS 49 HA LYS 49 5.872 5.186 5.186 360 1HB LYS 49 1HB LYS 49 6.858 7.888 7.888 361 2HB LYS 49 2HB LYS 49 8.091 6.672 6.672 362 1HG LYS 49 1HG LYS 49 7.025 5.587 5.587 363 2HG LYS 49 2HG LYS 49 5.410 6.032 6.032 364 1HD LYS 49 1HD LYS 49 7.427 8.056 8.056 365 2HD LYS 49 2HD LYS 49 6.368 7.130 7.130 366 1HE LYS 49 1HE LYS 49 5.421 9.057 9.057 367 2HE LYS 49 2HE LYS 49 5.429 9.361 9.361 368 1HZ LYS 49 3HZ LYS 49 3.870 7.439 7.439 369 2HZ LYS 49 1HZ LYS 49 3.830 7.356 7.356 370 3HZ LYS 49 2HZ LYS 49 3.260 8.687 8.687 371 H GLN 50 H GLN 50 5.873 4.922 4.922 372 HA GLN 50 HA GLN 50 8.708 4.378 4.378 373 1HB GLN 50 1HB GLN 50 6.116 4.822 4.822 374 2HB GLN 50 2HB GLN 50 7.515 4.037 4.037 375 1HG GLN 50 1HG GLN 50 8.904 6.002 6.002 376 2HG GLN 50 2HG GLN 50 7.583 6.824 6.824 377 1HE2 GLN 50 2HE2 GLN 50 7.128 8.222 8.222 378 2HE2 GLN 50 1HE2 GLN 50 8.028 8.483 8.483 379 H ASP 51 H ASP 51 8.975 2.374 2.374 380 HA ASP 51 HA ASP 51 7.444 0.081 0.081 381 1HB ASP 51 1HB ASP 51 9.907 0.032 0.032 382 2HB ASP 51 2HB ASP 51 10.188 0.151 0.151 383 H ILE 52 H ILE 52 5.777 0.918 0.918 384 HA ILE 52 HA ILE 52 6.364 0.737 0.737 385 HB ILE 52 HB ILE 52 3.710 1.033 1.033 386 1HG1 ILE 52 1HG1 ILE 52 5.438 3.146 3.146 387 2HG1 ILE 52 2HG1 ILE 52 5.394 2.885 2.885 388 1HG2 ILE 52 2HG2 ILE 52 3.454 0.151 0.151 389 2HG2 ILE 52 3HG2 ILE 52 4.431 1.502 1.502 390 3HG2 ILE 52 1HG2 ILE 52 2.850 1.790 1.790 391 1HD1 ILE 52 3HD1 ILE 52 2.865 3.264 3.264 392 2HD1 ILE 52 1HD1 ILE 52 3.145 3.888 3.888 393 3HD1 ILE 52 2HD1 ILE 52 3.913 4.672 4.672 394 H GLN 53 H GLN 53 6.241 -1.032 -1.032 395 HA GLN 53 HA GLN 53 4.958 -3.575 -3.575 396 1HB GLN 53 1HB GLN 53 7.488 -3.020 -3.020 397 2HB GLN 53 2HB GLN 53 6.563 -4.138 -4.138 398 1HG GLN 53 1HG GLN 53 7.660 -5.283 -5.283 399 2HG GLN 53 2HG GLN 53 5.966 -5.489 -5.489 400 1HE2 GLN 53 2HE2 GLN 53 8.037 -3.064 -3.064 401 2HE2 GLN 53 1HE2 GLN 53 8.666 -3.202 -3.202 402 H ILE 54 H ILE 54 3.719 -4.763 -4.763 403 HA ILE 54 HA ILE 54 2.255 -3.039 -3.039 404 HB ILE 54 HB ILE 54 1.600 -5.695 -5.695 405 1HG1 ILE 54 1HG1 ILE 54 0.201 -2.979 -2.979 406 2HG1 ILE 54 2HG1 ILE 54 1.245 -3.536 -3.536 407 1HG2 ILE 54 1HG2 ILE 54 0.152 -4.233 -4.233 408 2HG2 ILE 54 2HG2 ILE 54 -0.502 -5.620 -5.620 409 3HG2 ILE 54 3HG2 ILE 54 0.913 -5.829 -5.829 410 1HD1 ILE 54 2HD1 ILE 54 -0.315 -5.450 -5.450 411 2HD1 ILE 54 3HD1 ILE 54 -1.410 -4.762 -4.762 412 3HD1 ILE 54 1HD1 ILE 54 -1.086 -3.870 -3.870 413 H VAL 55 H VAL 55 2.902 -3.072 -3.072 414 HA VAL 55 HA VAL 55 4.805 -5.082 -5.082 415 HB VAL 55 HB VAL 55 3.313 -3.041 -3.041 416 1HG1 VAL 55 2HG1 VAL 55 4.580 -4.749 -4.749 417 2HG1 VAL 55 3HG1 VAL 55 6.043 -4.333 -4.333 418 3HG1 VAL 55 1HG1 VAL 55 5.292 -3.142 -3.142 419 1HG2 VAL 55 1HG2 VAL 55 5.837 -2.610 -2.610 420 2HG2 VAL 55 2HG2 VAL 55 4.288 -1.767 -1.767 421 3HG2 VAL 55 3HG2 VAL 55 5.239 -1.524 -1.524 422 H LYS 56 H LYS 56 1.325 -4.352 -4.352 423 HA LYS 56 HA LYS 56 0.706 -6.884 -6.884 424 1HB LYS 56 1HB LYS 56 0.017 -5.858 -5.858 425 2HB LYS 56 2HB LYS 56 1.756 -5.949 -5.949 426 1HG LYS 56 1HG LYS 56 1.452 -3.476 -3.476 427 2HG LYS 56 2HG LYS 56 -0.032 -3.487 -3.487 428 1HD LYS 56 1HD LYS 56 2.823 -4.164 -4.164 429 2HD LYS 56 2HD LYS 56 2.169 -2.572 -2.572 430 1HE LYS 56 1HE LYS 56 0.986 -5.041 -5.041 431 2HE LYS 56 2HE LYS 56 2.170 -3.970 -3.970 432 1HZ LYS 56 2HZ LYS 56 -0.578 -3.183 -3.183 433 2HZ LYS 56 3HZ LYS 56 -0.020 -3.641 -3.641 434 3HZ LYS 56 1HZ LYS 56 0.543 -2.287 -2.287 435 H ASP 57 H ASP 57 -1.602 -7.036 -7.036 436 HA ASP 57 HA ASP 57 -3.262 -5.476 -5.476 437 1HB ASP 57 1HB ASP 57 -4.052 -7.450 -7.450 438 2HB ASP 57 2HB ASP 57 -5.140 -6.695 -6.695 439 H GLY 58 H GLY 58 -4.692 -3.904 -3.904 440 1HA GLY 58 1HA GLY 58 -5.728 -2.335 -2.335 441 2HA GLY 58 2HA GLY 58 -5.409 -3.290 -3.290 442 H GLU 59 H GLU 59 -5.033 -1.218 -1.218 443 HA GLU 59 HA GLU 59 -3.140 0.676 0.676 444 1HB GLU 59 1HB GLU 59 -3.983 -0.130 -0.130 445 2HB GLU 59 2HB GLU 59 -3.123 1.351 1.351 446 1HG GLU 59 1HG GLU 59 -5.889 0.575 0.575 447 2HG GLU 59 2HG GLU 59 -5.582 1.637 1.637 448 H CYS 60 H CYS 60 -1.075 1.208 1.208 449 HA CYS 60 HA CYS 60 0.752 -1.087 -1.087 450 1HB CYS 60 1HB CYS 60 1.219 1.936 1.936 451 2HB CYS 60 2HB CYS 60 2.501 0.730 0.730 Start of MODEL 18 1 1H GLU 1 1HN GLU 1 18.160 -9.365 -9.365 2 2H GLU 1 2HN GLU 1 17.339 -10.036 -10.036 3 3H GLU 1 3HN GLU 1 18.182 -10.991 -10.991 4 HA GLU 1 HA GLU 1 16.857 -10.587 -10.587 5 1HB GLU 1 1HB GLU 1 14.859 -11.034 -11.034 6 2HB GLU 1 2HB GLU 1 14.793 -11.596 -11.596 7 1HG GLU 1 1HG GLU 1 16.567 -12.602 -12.602 8 2HG GLU 1 2HG GLU 1 15.402 -13.492 -13.492 9 H LYS 2 H LYS 2 15.359 -8.730 -8.730 10 HA LYS 2 HA LYS 2 13.903 -7.049 -7.049 11 1HB LYS 2 1HB LYS 2 15.114 -6.288 -6.288 12 2HB LYS 2 2HB LYS 2 13.583 -5.610 -5.610 13 1HG LYS 2 1HG LYS 2 15.567 -4.243 -4.243 14 2HG LYS 2 2HG LYS 2 14.505 -4.615 -4.615 15 1HD LYS 2 1HD LYS 2 15.970 -6.266 -6.266 16 2HD LYS 2 2HD LYS 2 16.966 -6.318 -6.318 17 1HE LYS 2 1HE LYS 2 16.712 -3.857 -3.857 18 2HE LYS 2 2HE LYS 2 17.909 -5.129 -5.129 19 1HZ LYS 2 3HZ LYS 2 18.768 -4.648 -4.648 20 2HZ LYS 2 1HZ LYS 2 17.731 -3.409 -3.409 21 3HZ LYS 2 2HZ LYS 2 18.844 -3.350 -3.350 22 H GLN 3 H GLN 3 13.666 -8.344 -8.344 23 HA GLN 3 HA GLN 3 11.200 -7.961 -7.961 24 1HB GLN 3 1HB GLN 3 11.050 -9.848 -9.848 25 2HB GLN 3 2HB GLN 3 12.658 -9.125 -9.125 26 1HG GLN 3 1HG GLN 3 13.621 -10.961 -10.961 27 2HG GLN 3 2HG GLN 3 12.031 -11.627 -11.627 28 1HE2 GLN 3 2HE2 GLN 3 13.241 -12.021 -12.021 29 2HE2 GLN 3 1HE2 GLN 3 13.903 -10.726 -10.726 30 H VAL 4 H VAL 4 11.854 -10.684 -10.684 31 HA VAL 4 HA VAL 4 9.305 -11.849 -11.849 32 HB VAL 4 HB VAL 4 11.274 -11.669 -11.669 33 1HG1 VAL 4 2HG1 VAL 4 9.071 -13.693 -13.693 34 2HG1 VAL 4 3HG1 VAL 4 10.258 -13.829 -13.829 35 3HG1 VAL 4 1HG1 VAL 4 9.070 -12.526 -12.526 36 1HG2 VAL 4 2HG2 VAL 4 11.037 -13.631 -13.631 37 2HG2 VAL 4 3HG2 VAL 4 12.431 -12.587 -12.587 38 3HG2 VAL 4 1HG2 VAL 4 12.028 -13.919 -13.919 39 H PHE 5 H PHE 5 10.462 -9.000 -9.000 40 HA PHE 5 HA PHE 5 8.166 -8.860 -8.860 41 1HB PHE 5 1HB PHE 5 9.266 -7.253 -7.253 42 2HB PHE 5 2HB PHE 5 10.613 -7.597 -7.597 43 HD1 PHE 5 1HD PHE 5 10.487 -6.252 -6.252 44 HD2 PHE 5 1HD PHE 5 8.518 -5.054 -5.054 45 HE1 PHE 5 2HE PHE 5 10.524 -3.902 -3.902 46 HE2 PHE 5 1HE PHE 5 8.509 -2.717 -2.717 47 HZ PHE 5 HZ PHE 5 9.503 -2.126 -2.126 48 H SER 6 H SER 6 8.758 -7.919 -7.919 49 HA SER 6 HA SER 6 6.311 -6.240 -6.240 50 1HB SER 6 1HB SER 6 7.598 -5.512 -5.512 51 2HB SER 6 2HB SER 6 8.172 -4.968 -4.968 52 HG SER 6 HG SER 6 9.165 -7.352 -7.352 53 H ARG 7 H ARG 7 5.312 -6.365 -6.365 54 HA ARG 7 HA ARG 7 5.336 -9.097 -9.097 55 1HB ARG 7 1HB ARG 7 2.905 -7.552 -7.552 56 2HB ARG 7 2HB ARG 7 2.887 -9.012 -9.012 57 1HG ARG 7 1HG ARG 7 3.658 -10.379 -10.379 58 2HG ARG 7 2HG ARG 7 4.155 -9.035 -9.035 59 1HD ARG 7 1HD ARG 7 2.016 -10.117 -10.117 60 2HD ARG 7 2HD ARG 7 1.976 -8.367 -8.367 61 HE ARG 7 HE ARG 7 1.027 -9.074 -9.074 62 1HH1 ARG 7 2HH2 ARG 7 0.058 -10.520 -10.520 63 2HH1 ARG 7 1HH2 ARG 7 -1.508 -9.768 -9.768 64 1HH2 ARG 7 2HH1 ARG 7 -1.195 -8.524 -8.524 65 2HH2 ARG 7 1HH1 ARG 7 -2.277 -8.715 -8.715 66 H MET 8 H MET 8 5.088 -8.864 -8.864 67 HA MET 8 HA MET 8 4.593 -6.263 -6.263 68 1HB MET 8 1HB MET 8 4.293 -9.059 -9.059 69 2HB MET 8 2HB MET 8 4.329 -7.540 -7.540 70 1HG MET 8 1HG MET 8 6.592 -8.887 -8.887 71 2HG MET 8 2HG MET 8 6.465 -8.561 -8.561 72 1HE MET 8 1HE MET 8 6.564 -6.067 -6.067 73 2HE MET 8 2HE MET 8 5.406 -5.423 -5.423 74 3HE MET 8 3HE MET 8 6.986 -4.646 -4.646 75 HA PRO 9 HA PRO 9 0.032 -6.876 -6.876 76 1HB PRO 9 1HB PRO 9 -0.581 -4.356 -4.356 77 2HB PRO 9 2HB PRO 9 -0.474 -4.778 -4.778 78 1HG PRO 9 1HG PRO 9 1.492 -3.276 -3.276 79 2HG PRO 9 2HG PRO 9 1.182 -3.162 -3.162 80 1HD PRO 9 1HD PRO 9 3.356 -4.490 -4.490 81 2HD PRO 9 2HD PRO 9 2.627 -4.790 -4.790 82 H ILE 10 H ILE 10 -0.976 -7.606 -7.606 83 HA ILE 10 HA ILE 10 0.792 -7.845 -7.845 84 HB ILE 10 HB ILE 10 -1.921 -9.109 -9.109 85 1HG1 ILE 10 1HG1 ILE 10 -0.588 -9.718 -9.718 86 2HG1 ILE 10 2HG1 ILE 10 -0.646 -11.072 -11.072 87 1HG2 ILE 10 2HG2 ILE 10 0.412 -9.854 -9.854 88 2HG2 ILE 10 3HG2 ILE 10 -0.996 -10.876 -10.876 89 3HG2 ILE 10 1HG2 ILE 10 -1.193 -9.317 -9.317 90 1HD1 ILE 10 3HD1 ILE 10 1.678 -10.394 -10.394 91 2HD1 ILE 10 1HD1 ILE 10 1.681 -9.118 -9.118 92 3HD1 ILE 10 2HD1 ILE 10 1.606 -10.804 -10.804 93 H CYS 11 H CYS 11 0.537 -5.459 -5.459 94 HA CYS 11 HA CYS 11 -1.964 -4.291 -4.291 95 1HB CYS 11 1HB CYS 11 0.867 -3.285 -3.285 96 2HB CYS 11 2HB CYS 11 -0.591 -2.313 -2.313 97 H GLU 12 H GLU 12 -2.871 -5.462 -5.462 98 HA GLU 12 HA GLU 12 -2.128 -4.594 -4.594 99 1HB GLU 12 1HB GLU 12 -0.893 -6.772 -6.772 100 2HB GLU 12 2HB GLU 12 -2.424 -7.576 -7.576 101 1HG GLU 12 1HG GLU 12 -3.257 -7.154 -7.154 102 2HG GLU 12 2HG GLU 12 -1.868 -6.115 -6.115 103 H HIS 13 H HIS 13 -3.960 -4.877 -4.877 104 HA HIS 13 HA HIS 13 -6.477 -6.004 -6.004 105 1HB HIS 13 1HB HIS 13 -6.202 -2.998 -2.998 106 2HB HIS 13 2HB HIS 13 -7.700 -3.881 -3.881 107 HD1 HIS 13 HD1 HIS 13 -6.960 -1.456 -1.456 108 HD2 HIS 13 HD2 HIS 13 -7.392 -5.607 -5.607 109 HE1 HIS 13 HE1 HIS 13 -7.521 -1.774 -1.774 110 HE2 HIS 13 HE2 HIS 13 -7.678 -4.321 -4.321 111 H MET 14 H MET 14 -7.891 -5.848 -5.848 112 HA MET 14 HA MET 14 -6.048 -5.985 -5.985 113 1HB MET 14 1HB MET 14 -8.701 -7.390 -7.390 114 2HB MET 14 2HB MET 14 -7.616 -7.514 -7.514 115 1HG MET 14 1HG MET 14 -5.796 -8.182 -8.182 116 2HG MET 14 2HG MET 14 -7.181 -8.448 -8.448 117 1HE MET 14 1HE MET 14 -6.611 -9.284 -9.284 118 2HE MET 14 2HE MET 14 -5.092 -9.723 -9.723 119 3HE MET 14 3HE MET 14 -6.136 -10.988 -10.988 120 H THR 15 H THR 15 -9.132 -4.717 -4.717 121 HA THR 15 HA THR 15 -9.387 -3.034 -3.034 122 HB THR 15 HB THR 15 -11.266 -4.477 -4.477 123 HG1 THR 15 HG1 THR 15 -11.207 -4.369 -4.369 124 1HG2 THR 15 1HG2 THR 15 -11.808 -1.485 -1.485 125 2HG2 THR 15 2HG2 THR 15 -12.991 -2.729 -2.729 126 3HG2 THR 15 3HG2 THR 15 -11.616 -2.425 -2.425 127 H GLU 16 H GLU 16 -8.952 -0.865 -0.865 128 HA GLU 16 HA GLU 16 -7.246 0.091 0.091 129 1HB GLU 16 1HB GLU 16 -9.134 1.414 1.414 130 2HB GLU 16 2HB GLU 16 -8.473 2.447 2.447 131 1HG GLU 16 1HG GLU 16 -6.712 0.741 0.741 132 2HG GLU 16 2HG GLU 16 -7.092 2.448 2.448 133 H SER 17 H SER 17 -10.640 1.265 1.265 134 HA SER 17 HA SER 17 -11.567 2.485 2.485 135 1HB SER 17 1HB SER 17 -11.634 -0.458 -0.458 136 2HB SER 17 2HB SER 17 -12.144 0.471 0.471 137 HG SER 17 HG SER 17 -13.590 1.566 1.566 138 HA PRO 18 HA PRO 18 -8.078 2.985 2.985 139 1HB PRO 18 1HB PRO 18 -7.798 5.645 5.645 140 2HB PRO 18 2HB PRO 18 -7.215 4.647 4.647 141 1HG PRO 18 1HG PRO 18 -9.879 6.098 6.098 142 2HG PRO 18 2HG PRO 18 -8.663 6.198 6.198 143 1HD PRO 18 1HD PRO 18 -10.803 4.511 4.511 144 2HD PRO 18 2HD PRO 18 -9.221 4.020 4.020 145 H ASP 19 H ASP 19 -10.263 2.067 2.067 146 HA ASP 19 HA ASP 19 -11.939 4.103 4.103 147 1HB ASP 19 1HB ASP 19 -12.591 1.446 1.446 148 2HB ASP 19 2HB ASP 19 -13.733 2.378 2.378 149 H CYS 20 H CYS 20 -10.697 3.872 3.872 150 HA CYS 20 HA CYS 20 -10.682 1.289 1.289 151 1HB CYS 20 1HB CYS 20 -10.649 4.122 4.122 152 2HB CYS 20 2HB CYS 20 -10.380 2.606 2.606 153 H SER 21 H SER 21 -12.467 0.214 0.214 154 HA SER 21 HA SER 21 -15.001 1.590 1.590 155 1HB SER 21 1HB SER 21 -14.540 -0.736 -0.736 156 2HB SER 21 2HB SER 21 -14.489 -1.298 -1.298 157 HG SER 21 HG SER 21 -16.510 -1.627 -1.627 158 H ARG 22 H ARG 22 -16.533 0.296 0.296 159 HA ARG 22 HA ARG 22 -16.130 2.120 2.120 160 1HB ARG 22 1HB ARG 22 -18.393 0.199 0.199 161 2HB ARG 22 2HB ARG 22 -18.412 1.341 1.341 162 1HG ARG 22 1HG ARG 22 -19.302 2.838 2.838 163 2HG ARG 22 2HG ARG 22 -17.751 3.015 3.015 164 1HD ARG 22 1HD ARG 22 -19.940 1.022 1.022 165 2HD ARG 22 2HD ARG 22 -19.837 2.638 2.638 166 HE ARG 22 HE ARG 22 -18.131 0.322 0.322 167 1HH1 ARG 22 2HH2 ARG 22 -18.121 3.872 3.872 168 2HH1 ARG 22 1HH2 ARG 22 -16.978 3.913 3.913 169 1HH2 ARG 22 2HH1 ARG 22 -16.808 0.509 0.509 170 2HH2 ARG 22 1HH1 ARG 22 -16.390 2.097 2.097 171 H ILE 23 H ILE 23 -14.234 -0.046 -0.046 172 HA ILE 23 HA ILE 23 -14.898 -2.055 -2.055 173 HB ILE 23 HB ILE 23 -12.521 -1.515 -1.515 174 1HG1 ILE 23 1HG1 ILE 23 -14.732 -2.065 -2.065 175 2HG1 ILE 23 2HG1 ILE 23 -13.330 -3.022 -3.022 176 1HG2 ILE 23 3HG2 ILE 23 -13.108 -3.951 -3.951 177 2HG2 ILE 23 1HG2 ILE 23 -11.883 -3.882 -3.882 178 3HG2 ILE 23 2HG2 ILE 23 -11.749 -2.821 -2.821 179 1HD1 ILE 23 2HD1 ILE 23 -15.582 -3.818 -3.818 180 2HD1 ILE 23 3HD1 ILE 23 -15.406 -4.367 -4.367 181 3HD1 ILE 23 1HD1 ILE 23 -14.215 -4.857 -4.857 182 H TYR 24 H TYR 24 -14.100 -1.899 -1.899 183 HA TYR 24 HA TYR 24 -11.937 0.076 0.076 184 1HB TYR 24 1HB TYR 24 -13.924 0.849 0.849 185 2HB TYR 24 2HB TYR 24 -14.344 -0.776 -0.776 186 HD1 TYR 24 HD2 TYR 24 -11.406 1.600 1.600 187 HD2 TYR 24 HD1 TYR 24 -13.826 -1.403 -1.403 188 HE1 TYR 24 HE2 TYR 24 -10.063 1.840 1.840 189 HE2 TYR 24 HE1 TYR 24 -12.503 -1.137 -1.137 190 HH TYR 24 HH TYR 24 -9.723 1.088 1.088 191 H ASP 25 H ASP 25 -10.249 -1.341 -1.341 192 HA ASP 25 HA ASP 25 -10.263 -3.821 -3.821 193 1HB ASP 25 1HB ASP 25 -11.089 -4.280 -4.280 194 2HB ASP 25 2HB ASP 25 -9.436 -3.933 -3.933 195 HA PRO 26 HA PRO 26 -6.968 -0.739 -0.739 196 1HB PRO 26 1HB PRO 26 -6.352 -0.310 -0.310 197 2HB PRO 26 2HB PRO 26 -7.832 0.334 0.334 198 1HG PRO 26 1HG PRO 26 -7.569 -2.257 -2.257 199 2HG PRO 26 2HG PRO 26 -8.759 -0.962 -0.962 200 1HD PRO 26 1HD PRO 26 -9.355 -3.138 -3.138 201 2HD PRO 26 2HD PRO 26 -9.903 -1.523 -1.523 202 H VAL 27 H VAL 27 -4.664 -0.551 -0.551 203 HA VAL 27 HA VAL 27 -3.272 -2.909 -2.909 204 HB VAL 27 HB VAL 27 -1.946 -3.210 -3.210 205 1HG1 VAL 27 3HG1 VAL 27 -4.072 -4.592 -4.592 206 2HG1 VAL 27 1HG1 VAL 27 -4.869 -3.523 -3.523 207 3HG1 VAL 27 2HG1 VAL 27 -3.478 -4.508 -4.508 208 1HG2 VAL 27 1HG2 VAL 27 -2.284 -0.923 -0.923 209 2HG2 VAL 27 2HG2 VAL 27 -2.598 -2.220 -2.220 210 3HG2 VAL 27 3HG2 VAL 27 -3.955 -1.364 -1.364 211 H CYS 28 H CYS 28 -1.008 -2.511 -2.511 212 HA CYS 28 HA CYS 28 -0.359 0.401 0.401 213 1HB CYS 28 1HB CYS 28 -0.356 -0.948 -0.948 214 2HB CYS 28 2HB CYS 28 0.830 -2.057 -2.057 215 H GLY 29 H GLY 29 0.973 1.192 1.192 216 1HA GLY 29 1HA GLY 29 2.371 -0.606 -0.606 217 2HA GLY 29 2HA GLY 29 2.380 1.156 1.156 218 H THR 30 H THR 30 4.734 -0.530 -0.530 219 HA THR 30 HA THR 30 6.439 -0.305 -0.305 220 HB THR 30 HB THR 30 8.256 -0.453 -0.453 221 HG1 THR 30 HG1 THR 30 7.151 0.280 0.280 222 1HG2 THR 30 3HG2 THR 30 7.418 -2.412 -2.412 223 2HG2 THR 30 1HG2 THR 30 6.133 -2.639 -2.639 224 3HG2 THR 30 2HG2 THR 30 7.852 -2.795 -2.795 225 H ASP 31 H ASP 31 5.113 2.088 2.088 226 HA ASP 31 HA ASP 31 7.245 4.034 4.034 227 1HB ASP 31 1HB ASP 31 5.805 5.538 5.538 228 2HB ASP 31 2HB ASP 31 5.627 4.032 4.032 229 H GLY 32 H GLY 32 4.492 2.687 2.687 230 1HA GLY 32 1HA GLY 32 4.287 2.825 2.825 231 2HA GLY 32 2HA GLY 32 5.064 4.415 4.415 232 H VAL 33 H VAL 33 2.781 4.217 4.217 233 HA VAL 33 HA VAL 33 0.866 5.828 5.828 234 HB VAL 33 HB VAL 33 1.228 5.235 5.235 235 1HG1 VAL 33 3HG1 VAL 33 -1.047 6.750 6.750 236 2HG1 VAL 33 1HG1 VAL 33 -0.612 6.836 6.836 237 3HG1 VAL 33 2HG1 VAL 33 -1.151 5.306 5.306 238 1HG2 VAL 33 1HG2 VAL 33 2.720 6.949 6.949 239 2HG2 VAL 33 2HG2 VAL 33 1.648 7.656 7.656 240 3HG2 VAL 33 3HG2 VAL 33 1.275 7.842 7.842 241 H THR 34 H THR 34 -1.114 5.094 5.094 242 HA THR 34 HA THR 34 -1.877 2.278 2.278 243 HB THR 34 HB THR 34 -3.241 4.617 4.617 244 HG1 THR 34 HG1 THR 34 -2.633 3.533 3.533 245 1HG2 THR 34 2HG2 THR 34 -4.103 1.736 1.736 246 2HG2 THR 34 3HG2 THR 34 -4.765 2.756 2.756 247 3HG2 THR 34 1HG2 THR 34 -4.994 3.213 3.213 248 H TYR 35 H TYR 35 -3.167 1.749 1.749 249 HA TYR 35 HA TYR 35 -4.496 3.943 3.943 250 1HB TYR 35 1HB TYR 35 -3.603 1.194 1.194 251 2HB TYR 35 2HB TYR 35 -4.490 2.372 2.372 252 HD1 TYR 35 HD2 TYR 35 -3.430 4.466 4.466 253 HD2 TYR 35 HD1 TYR 35 -1.215 1.611 1.611 254 HE1 TYR 35 HE2 TYR 35 -1.328 5.663 5.663 255 HE2 TYR 35 HE1 TYR 35 0.889 2.792 2.792 256 HH TYR 35 HH TYR 35 1.792 4.770 4.770 257 H GLU 36 H GLU 36 -6.708 3.743 3.743 258 HA GLU 36 HA GLU 36 -8.185 2.125 2.125 259 1HB GLU 36 1HB GLU 36 -9.107 3.587 3.587 260 2HB GLU 36 2HB GLU 36 -10.165 2.993 2.993 261 1HG GLU 36 1HG GLU 36 -9.415 4.616 4.616 262 2HG GLU 36 2HG GLU 36 -7.959 4.972 4.972 263 H SER 37 H SER 37 -7.098 1.656 1.656 264 HA SER 37 HA SER 37 -8.097 -1.088 -1.088 265 1HB SER 37 1HB SER 37 -8.974 -0.543 -0.543 266 2HB SER 37 2HB SER 37 -10.005 -0.189 -0.189 267 HG SER 37 HG SER 37 -9.827 1.872 1.872 268 H GLU 38 H GLU 38 -6.650 -2.341 -2.341 269 HA GLU 38 HA GLU 38 -4.086 -1.481 -1.481 270 1HB GLU 38 1HB GLU 38 -5.764 -3.633 -3.633 271 2HB GLU 38 2HB GLU 38 -4.023 -3.386 -3.386 272 1HG GLU 38 1HG GLU 38 -3.648 -3.770 -3.770 273 2HG GLU 38 2HG GLU 38 -5.374 -4.053 -4.053 274 H CYS 39 H CYS 39 -7.032 -1.055 -1.055 275 HA CYS 39 HA CYS 39 -5.931 -0.533 -0.533 276 1HB CYS 39 1HB CYS 39 -8.316 -0.656 -0.656 277 2HB CYS 39 2HB CYS 39 -8.316 0.790 0.790 278 H LYS 40 H LYS 40 -6.500 1.855 1.855 279 HA LYS 40 HA LYS 40 -5.136 3.934 3.934 280 1HB LYS 40 1HB LYS 40 -5.964 3.764 3.764 281 2HB LYS 40 2HB LYS 40 -5.031 5.100 5.100 282 1HG LYS 40 1HG LYS 40 -6.965 6.081 6.081 283 2HG LYS 40 2HG LYS 40 -7.012 4.998 4.998 284 1HD LYS 40 1HD LYS 40 -9.118 4.829 4.829 285 2HD LYS 40 2HD LYS 40 -8.311 3.341 3.341 286 1HE LYS 40 1HE LYS 40 -8.073 4.067 4.067 287 2HE LYS 40 2HE LYS 40 -8.076 5.773 5.773 288 1HZ LYS 40 1HZ LYS 40 -10.391 5.640 5.640 289 2HZ LYS 40 2HZ LYS 40 -10.483 4.094 4.094 290 3HZ LYS 40 3HZ LYS 40 -10.079 5.359 5.359 291 H LEU 41 H LEU 41 -3.931 1.339 1.339 292 HA LEU 41 HA LEU 41 -1.329 2.556 2.556 293 1HB LEU 41 1HB LEU 41 -2.148 0.622 0.622 294 2HB LEU 41 2HB LEU 41 -2.029 -0.408 -0.408 295 HG LEU 41 HG LEU 41 0.376 1.118 1.118 296 1HD1 LEU 41 3HD1 LEU 41 -0.612 -1.662 -1.662 297 2HD1 LEU 41 1HD1 LEU 41 0.975 -1.005 -1.005 298 3HD1 LEU 41 2HD1 LEU 41 -0.495 -0.272 -0.272 299 1HD2 LEU 41 3HD2 LEU 41 -0.019 -1.270 -1.270 300 2HD2 LEU 41 1HD2 LEU 41 0.882 0.222 0.222 301 3HD2 LEU 41 2HD2 LEU 41 1.529 -0.940 -0.940 302 H CYS 42 H CYS 42 -2.614 0.235 0.235 303 HA CYS 42 HA CYS 42 -0.324 0.109 0.109 304 1HB CYS 42 1HB CYS 42 -3.295 -0.215 -0.215 305 2HB CYS 42 2HB CYS 42 -2.030 -0.425 -0.425 306 H LEU 43 H LEU 43 -3.161 2.345 2.345 307 HA LEU 43 HA LEU 43 -2.265 3.890 3.890 308 1HB LEU 43 1HB LEU 43 -3.862 4.580 4.580 309 2HB LEU 43 2HB LEU 43 -3.659 5.706 5.706 310 HG LEU 43 HG LEU 43 -5.169 3.071 3.071 311 1HD1 LEU 43 2HD1 LEU 43 -6.310 5.069 5.069 312 2HD1 LEU 43 3HD1 LEU 43 -6.032 5.949 5.949 313 3HD1 LEU 43 1HD1 LEU 43 -7.064 4.519 4.519 314 1HD2 LEU 43 3HD2 LEU 43 -4.407 4.977 4.977 315 2HD2 LEU 43 1HD2 LEU 43 -4.048 3.237 3.237 316 3HD2 LEU 43 2HD2 LEU 43 -5.716 3.780 3.780 317 H ALA 44 H ALA 44 -1.673 4.315 4.315 318 HA ALA 44 HA ALA 44 -0.267 6.714 6.714 319 1HB ALA 44 2HB ALA 44 -0.019 4.568 4.568 320 2HB ALA 44 1HB ALA 44 0.594 6.229 6.229 321 3HB ALA 44 1HB ALA 44 -1.149 5.948 5.948 322 H ARG 45 H ARG 45 1.000 3.325 3.325 323 HA ARG 45 HA ARG 45 3.732 4.180 4.180 324 1HB ARG 45 1HB ARG 45 4.248 2.016 2.016 325 2HB ARG 45 2HB ARG 45 3.441 1.905 1.905 326 1HG ARG 45 1HG ARG 45 1.371 1.391 1.391 327 2HG ARG 45 2HG ARG 45 1.994 1.699 1.699 328 1HD ARG 45 1HD ARG 45 2.874 -0.551 -0.551 329 2HD ARG 45 2HD ARG 45 1.764 -0.688 -0.688 330 HE ARG 45 HE ARG 45 3.428 0.110 0.110 331 1HH1 ARG 45 2HH2 ARG 45 4.430 -2.042 -2.042 332 2HH1 ARG 45 1HH2 ARG 45 6.137 -1.901 -1.901 333 1HH2 ARG 45 2HH1 ARG 45 5.452 -0.074 -0.074 334 2HH2 ARG 45 1HH1 ARG 45 6.727 -0.882 -0.882 335 H ILE 46 H ILE 46 1.201 4.090 4.090 336 HA ILE 46 HA ILE 46 3.109 4.430 4.430 337 HB ILE 46 HB ILE 46 0.081 4.698 4.698 338 1HG1 ILE 46 1HG1 ILE 46 1.805 2.374 2.374 339 2HG1 ILE 46 2HG1 ILE 46 1.070 2.381 2.381 340 1HG2 ILE 46 1HG2 ILE 46 1.227 5.863 5.863 341 2HG2 ILE 46 2HG2 ILE 46 2.079 4.354 4.354 342 3HG2 ILE 46 3HG2 ILE 46 0.314 4.460 4.460 343 1HD1 ILE 46 3HD1 ILE 46 -1.191 2.677 2.677 344 2HD1 ILE 46 1HD1 ILE 46 -0.426 2.396 2.396 345 3HD1 ILE 46 2HD1 ILE 46 -0.375 1.141 1.141 346 H GLU 47 H GLU 47 0.926 6.548 6.548 347 HA GLU 47 HA GLU 47 1.668 8.958 8.958 348 1HB GLU 47 1HB GLU 47 0.461 8.395 8.395 349 2HB GLU 47 2HB GLU 47 1.130 9.986 9.986 350 1HG GLU 47 1HG GLU 47 -1.110 10.157 10.157 351 2HG GLU 47 2HG GLU 47 -0.225 10.027 10.027 352 H ASN 48 H ASN 48 3.051 7.337 7.337 353 HA ASN 48 HA ASN 48 5.096 9.249 9.249 354 1HB ASN 48 1HB ASN 48 4.460 6.411 6.411 355 2HB ASN 48 2HB ASN 48 6.112 6.887 6.887 356 1HD2 ASN 48 2HD2 ASN 48 3.772 9.229 9.229 357 2HD2 ASN 48 1HD2 ASN 48 3.397 9.188 9.188 358 H LYS 49 H LYS 49 5.011 6.293 6.293 359 HA LYS 49 HA LYS 49 6.488 5.076 5.076 360 1HB LYS 49 1HB LYS 49 7.758 7.780 7.780 361 2HB LYS 49 2HB LYS 49 8.415 6.305 6.305 362 1HG LYS 49 1HG LYS 49 5.470 7.004 7.004 363 2HG LYS 49 2HG LYS 49 6.621 7.804 7.804 364 1HD LYS 49 1HD LYS 49 7.141 4.882 4.882 365 2HD LYS 49 2HD LYS 49 5.474 5.235 5.235 366 1HE LYS 49 1HE LYS 49 7.030 5.055 5.055 367 2HE LYS 49 2HE LYS 49 6.149 6.577 6.577 368 1HZ LYS 49 2HZ LYS 49 8.323 7.424 7.424 369 2HZ LYS 49 3HZ LYS 49 8.971 6.068 6.068 370 3HZ LYS 49 1HZ LYS 49 8.236 7.223 7.223 371 H GLN 50 H GLN 50 6.473 4.911 4.911 372 HA GLN 50 HA GLN 50 9.254 4.099 4.099 373 1HB GLN 50 1HB GLN 50 7.379 5.412 5.412 374 2HB GLN 50 2HB GLN 50 8.653 4.282 4.282 375 1HG GLN 50 1HG GLN 50 9.745 6.291 6.291 376 2HG GLN 50 2HG GLN 50 10.286 5.737 5.737 377 1HE2 GLN 50 2HE2 GLN 50 7.752 9.014 9.014 378 2HE2 GLN 50 1HE2 GLN 50 7.638 7.768 7.768 379 H ASP 51 H ASP 51 9.338 1.989 1.989 380 HA ASP 51 HA ASP 51 7.031 0.327 0.327 381 1HB ASP 51 1HB ASP 51 9.462 -0.391 -0.391 382 2HB ASP 51 2HB ASP 51 9.625 -0.326 -0.326 383 H ILE 52 H ILE 52 5.248 0.591 0.591 384 HA ILE 52 HA ILE 52 5.846 0.641 0.641 385 HB ILE 52 HB ILE 52 3.198 1.192 1.192 386 1HG1 ILE 52 1HG1 ILE 52 5.357 3.082 3.082 387 2HG1 ILE 52 2HG1 ILE 52 4.856 2.939 2.939 388 1HG2 ILE 52 1HG2 ILE 52 3.129 0.311 0.311 389 2HG2 ILE 52 2HG2 ILE 52 4.204 1.628 1.628 390 3HG2 ILE 52 3HG2 ILE 52 2.575 1.978 1.978 391 1HD1 ILE 52 1HD1 ILE 52 2.529 3.666 3.666 392 2HD1 ILE 52 2HD1 ILE 52 3.240 4.069 4.069 393 3HD1 ILE 52 3HD1 ILE 52 3.812 4.890 4.890 394 H GLN 53 H GLN 53 5.894 -1.291 -1.291 395 HA GLN 53 HA GLN 53 4.352 -3.570 -3.570 396 1HB GLN 53 1HB GLN 53 6.825 -3.298 -3.298 397 2HB GLN 53 2HB GLN 53 5.814 -4.738 -4.738 398 1HG GLN 53 1HG GLN 53 6.088 -5.188 -5.188 399 2HG GLN 53 2HG GLN 53 6.920 -3.667 -3.667 400 1HE2 GLN 53 2HE2 GLN 53 9.131 -6.874 -6.874 401 2HE2 GLN 53 1HE2 GLN 53 7.416 -6.999 -6.999 402 H ILE 54 H ILE 54 3.290 -4.892 -4.892 403 HA ILE 54 HA ILE 54 2.039 -3.180 -3.180 404 HB ILE 54 HB ILE 54 1.410 -5.927 -5.927 405 1HG1 ILE 54 1HG1 ILE 54 -0.284 -3.409 -3.409 406 2HG1 ILE 54 2HG1 ILE 54 0.787 -3.730 -3.730 407 1HG2 ILE 54 3HG2 ILE 54 0.158 -4.469 -4.469 408 2HG2 ILE 54 1HG2 ILE 54 -0.550 -5.894 -5.894 409 3HG2 ILE 54 2HG2 ILE 54 0.992 -6.037 -6.037 410 1HD1 ILE 54 3HD1 ILE 54 -0.378 -5.831 -5.831 411 2HD1 ILE 54 1HD1 ILE 54 -1.537 -5.503 -5.503 412 3HD1 ILE 54 2HD1 ILE 54 -1.437 -4.408 -4.408 413 H VAL 55 H VAL 55 2.892 -3.181 -3.181 414 HA VAL 55 HA VAL 55 4.963 -5.077 -5.077 415 HB VAL 55 HB VAL 55 3.371 -2.932 -2.932 416 1HG1 VAL 55 3HG1 VAL 55 5.785 -4.582 -4.582 417 2HG1 VAL 55 1HG1 VAL 55 5.122 -3.176 -3.176 418 3HG1 VAL 55 2HG1 VAL 55 4.155 -4.646 -4.646 419 1HG2 VAL 55 2HG2 VAL 55 4.908 -2.045 -2.045 420 2HG2 VAL 55 3HG2 VAL 55 5.462 -1.653 -1.653 421 3HG2 VAL 55 1HG2 VAL 55 6.244 -2.965 -2.965 422 H LYS 56 H LYS 56 1.505 -4.325 -4.325 423 HA LYS 56 HA LYS 56 0.915 -7.097 -7.097 424 1HB LYS 56 1HB LYS 56 0.258 -6.875 -6.875 425 2HB LYS 56 2HB LYS 56 1.966 -6.553 -6.553 426 1HG LYS 56 1HG LYS 56 1.495 -4.870 -4.870 427 2HG LYS 56 2HG LYS 56 1.155 -3.991 -3.991 428 1HD LYS 56 1HD LYS 56 -1.283 -4.689 -4.689 429 2HD LYS 56 2HD LYS 56 -0.865 -5.390 -5.390 430 1HE LYS 56 1HE LYS 56 -0.682 -2.467 -2.467 431 2HE LYS 56 2HE LYS 56 -1.927 -3.224 -3.224 432 1HZ LYS 56 2HZ LYS 56 -0.291 -3.641 -3.641 433 2HZ LYS 56 3HZ LYS 56 0.913 -2.960 -2.960 434 3HZ LYS 56 1HZ LYS 56 -0.297 -2.036 -2.036 435 H ASP 57 H ASP 57 -1.360 -7.459 -7.459 436 HA ASP 57 HA ASP 57 -2.919 -5.414 -5.414 437 1HB ASP 57 1HB ASP 57 -4.017 -7.928 -7.928 438 2HB ASP 57 2HB ASP 57 -4.706 -6.991 -6.991 439 H GLY 58 H GLY 58 -4.465 -4.132 -4.132 440 1HA GLY 58 1HA GLY 58 -5.760 -3.351 -3.351 441 2HA GLY 58 2HA GLY 58 -4.813 -4.186 -4.186 442 H GLU 59 H GLU 59 -5.475 -1.683 -1.683 443 HA GLU 59 HA GLU 59 -3.895 0.369 0.369 444 1HB GLU 59 1HB GLU 59 -5.107 0.366 0.366 445 2HB GLU 59 2HB GLU 59 -4.891 1.732 1.732 446 1HG GLU 59 1HG GLU 59 -7.145 1.387 1.387 447 2HG GLU 59 2HG GLU 59 -6.578 0.339 0.339 448 H CYS 60 H CYS 60 -2.032 1.393 1.393 449 HA CYS 60 HA CYS 60 0.040 -0.265 -0.265 450 1HB CYS 60 1HB CYS 60 -0.120 2.751 2.751 451 2HB CYS 60 2HB CYS 60 1.346 1.838 1.838 Start of MODEL 19 1 1H GLU 1 1HN GLU 1 5.052 -11.457 -11.457 2 2H GLU 1 2HN GLU 1 6.072 -10.152 -10.152 3 3H GLU 1 3HN GLU 1 4.525 -9.923 -9.923 4 HA GLU 1 HA GLU 1 3.704 -10.697 -10.697 5 1HB GLU 1 1HB GLU 1 4.450 -8.934 -8.934 6 2HB GLU 1 2HB GLU 1 3.888 -8.385 -8.385 7 1HG GLU 1 1HG GLU 1 6.817 -8.534 -8.534 8 2HG GLU 1 2HG GLU 1 5.788 -7.109 -7.109 9 H LYS 2 H LYS 2 4.056 -12.682 -12.682 10 HA LYS 2 HA LYS 2 4.753 -14.324 -14.324 11 1HB LYS 2 1HB LYS 2 4.885 -13.908 -13.908 12 2HB LYS 2 2HB LYS 2 4.436 -12.332 -12.332 13 1HG LYS 2 1HG LYS 2 6.039 -11.720 -11.720 14 2HG LYS 2 2HG LYS 2 7.028 -11.778 -11.778 15 1HD LYS 2 1HD LYS 2 8.155 -12.897 -12.897 16 2HD LYS 2 2HD LYS 2 7.728 -14.151 -14.151 17 1HE LYS 2 1HE LYS 2 7.311 -14.811 -14.811 18 2HE LYS 2 2HE LYS 2 5.848 -14.900 -14.900 19 1HZ LYS 2 3HZ LYS 2 6.583 -12.707 -12.707 20 2HZ LYS 2 1HZ LYS 2 5.543 -13.912 -13.912 21 3HZ LYS 2 2HZ LYS 2 5.133 -12.824 -12.824 22 H GLN 3 H GLN 3 7.718 -12.359 -12.359 23 HA GLN 3 HA GLN 3 9.183 -14.243 -14.243 24 1HB GLN 3 1HB GLN 3 9.208 -15.319 -15.319 25 2HB GLN 3 2HB GLN 3 10.208 -13.974 -13.974 26 1HG GLN 3 1HG GLN 3 10.732 -16.021 -16.021 27 2HG GLN 3 2HG GLN 3 11.565 -15.923 -15.923 28 1HE2 GLN 3 2HE2 GLN 3 13.709 -13.187 -13.187 29 2HE2 GLN 3 1HE2 GLN 3 12.953 -13.923 -13.923 30 H VAL 4 H VAL 4 8.784 -12.166 -12.166 31 HA VAL 4 HA VAL 4 8.841 -9.917 -9.917 32 HB VAL 4 HB VAL 4 10.549 -11.037 -11.037 33 1HG1 VAL 4 1HG1 VAL 4 12.136 -11.785 -11.785 34 2HG1 VAL 4 2HG1 VAL 4 12.625 -10.114 -10.114 35 3HG1 VAL 4 3HG1 VAL 4 12.914 -10.845 -10.845 36 1HG2 VAL 4 3HG2 VAL 4 11.166 -8.161 -8.161 37 2HG2 VAL 4 1HG2 VAL 4 10.026 -8.777 -8.777 38 3HG2 VAL 4 2HG2 VAL 4 11.767 -9.031 -9.031 39 H PHE 5 H PHE 5 8.160 -9.957 -9.957 40 HA PHE 5 HA PHE 5 9.617 -7.739 -7.739 41 1HB PHE 5 1HB PHE 5 10.982 -9.824 -9.824 42 2HB PHE 5 2HB PHE 5 9.624 -10.314 -10.314 43 HD1 PHE 5 1HD PHE 5 12.217 -7.689 -7.689 44 HD2 PHE 5 1HD PHE 5 9.378 -9.298 -9.298 45 HE1 PHE 5 2HE PHE 5 12.887 -5.978 -5.978 46 HE2 PHE 5 1HE PHE 5 10.043 -7.574 -7.574 47 HZ PHE 5 HZ PHE 5 11.780 -5.891 -5.891 48 H SER 6 H SER 6 8.757 -7.053 -7.053 49 HA SER 6 HA SER 6 5.809 -6.886 -6.886 50 1HB SER 6 1HB SER 6 6.392 -4.965 -4.965 51 2HB SER 6 2HB SER 6 7.171 -4.939 -4.939 52 HG SER 6 HG SER 6 8.441 -5.834 -5.834 53 H ARG 7 H ARG 7 5.280 -6.357 -6.357 54 HA ARG 7 HA ARG 7 5.811 -8.702 -8.702 55 1HB ARG 7 1HB ARG 7 3.546 -9.622 -9.622 56 2HB ARG 7 2HB ARG 7 4.304 -9.741 -9.741 57 1HG ARG 7 1HG ARG 7 3.054 -7.704 -7.704 58 2HG ARG 7 2HG ARG 7 2.212 -7.673 -7.673 59 1HD ARG 7 1HD ARG 7 1.125 -9.820 -9.820 60 2HD ARG 7 2HD ARG 7 2.153 -10.057 -10.057 61 HE ARG 7 HE ARG 7 1.077 -8.467 -8.467 62 1HH1 ARG 7 2HH2 ARG 7 -0.572 -8.767 -8.767 63 2HH1 ARG 7 1HH2 ARG 7 -2.008 -7.972 -7.972 64 1HH2 ARG 7 2HH1 ARG 7 -1.147 -7.930 -7.930 65 2HH2 ARG 7 1HH1 ARG 7 -2.230 -7.364 -7.364 66 H MET 8 H MET 8 5.113 -8.473 -8.473 67 HA MET 8 HA MET 8 4.487 -5.728 -5.728 68 1HB MET 8 1HB MET 8 4.847 -6.770 -6.770 69 2HB MET 8 2HB MET 8 6.195 -6.394 -6.394 70 1HG MET 8 1HG MET 8 5.058 -9.199 -9.199 71 2HG MET 8 2HG MET 8 6.134 -8.664 -8.664 72 1HE MET 8 3HE MET 8 8.685 -8.031 -8.031 73 2HE MET 8 1HE MET 8 8.301 -6.807 -6.807 74 3HE MET 8 2HE MET 8 9.505 -8.044 -8.044 75 HA PRO 9 HA PRO 9 0.208 -7.115 -7.115 76 1HB PRO 9 1HB PRO 9 -0.928 -4.717 -4.717 77 2HB PRO 9 2HB PRO 9 -0.484 -5.138 -5.138 78 1HG PRO 9 1HG PRO 9 1.108 -3.491 -3.491 79 2HG PRO 9 2HG PRO 9 0.750 -3.130 -3.130 80 1HD PRO 9 1HD PRO 9 3.094 -4.221 -4.221 81 2HD PRO 9 2HD PRO 9 2.336 -4.682 -4.682 82 H ILE 10 H ILE 10 -0.701 -7.891 -7.891 83 HA ILE 10 HA ILE 10 0.386 -7.233 -7.233 84 HB ILE 10 HB ILE 10 -1.850 -9.050 -9.050 85 1HG1 ILE 10 1HG1 ILE 10 0.838 -9.693 -9.693 86 2HG1 ILE 10 2HG1 ILE 10 0.566 -9.721 -9.721 87 1HG2 ILE 10 3HG2 ILE 10 -0.853 -8.597 -8.597 88 2HG2 ILE 10 1HG2 ILE 10 -2.006 -9.853 -9.853 89 3HG2 ILE 10 2HG2 ILE 10 -2.462 -8.165 -8.165 90 1HD1 ILE 10 3HD1 ILE 10 -1.182 -11.425 -11.425 91 2HD1 ILE 10 1HD1 ILE 10 -0.795 -11.541 -11.541 92 3HD1 ILE 10 2HD1 ILE 10 0.427 -11.964 -11.964 93 H CYS 11 H CYS 11 -0.842 -5.935 -5.935 94 HA CYS 11 HA CYS 11 -3.233 -4.510 -4.510 95 1HB CYS 11 1HB CYS 11 -0.641 -3.378 -3.378 96 2HB CYS 11 2HB CYS 11 -2.165 -2.502 -2.502 97 H GLU 12 H GLU 12 -3.982 -3.341 -3.341 98 HA GLU 12 HA GLU 12 -4.486 -5.403 -5.403 99 1HB GLU 12 1HB GLU 12 -5.336 -3.521 -3.521 100 2HB GLU 12 2HB GLU 12 -5.988 -3.499 -3.499 101 1HG GLU 12 1HG GLU 12 -5.003 -1.536 -1.536 102 2HG GLU 12 2HG GLU 12 -3.486 -1.925 -1.925 103 H HIS 13 H HIS 13 -3.989 -5.299 -5.299 104 HA HIS 13 HA HIS 13 -1.442 -4.039 -4.039 105 1HB HIS 13 1HB HIS 13 -0.772 -6.206 -6.206 106 2HB HIS 13 2HB HIS 13 -1.704 -7.057 -7.057 107 HD1 HIS 13 HD1 HIS 13 0.952 -4.160 -4.160 108 HD2 HIS 13 HD2 HIS 13 -0.081 -7.892 -7.892 109 HE1 HIS 13 HE1 HIS 13 2.745 -4.716 -4.716 110 HE2 HIS 13 HE2 HIS 13 2.108 -6.927 -6.927 111 H MET 14 H MET 14 -3.958 -6.361 -6.361 112 HA MET 14 HA MET 14 -3.700 -5.000 -5.000 113 1HB MET 14 1HB MET 14 -4.709 -7.801 -7.801 114 2HB MET 14 2HB MET 14 -4.422 -7.039 -7.039 115 1HG MET 14 1HG MET 14 -1.962 -6.889 -6.889 116 2HG MET 14 2HG MET 14 -2.384 -7.830 -7.830 117 1HE MET 14 3HE MET 14 -2.014 -7.851 -7.851 118 2HE MET 14 1HE MET 14 -2.390 -9.537 -9.537 119 3HE MET 14 2HE MET 14 -3.689 -8.451 -8.451 120 H THR 15 H THR 15 -5.909 -6.729 -6.729 121 HA THR 15 HA THR 15 -8.005 -4.753 -4.753 122 HB THR 15 HB THR 15 -8.355 -5.646 -5.646 123 HG1 THR 15 HG1 THR 15 -10.215 -7.196 -7.196 124 1HG2 THR 15 2HG2 THR 15 -7.133 -7.747 -7.747 125 2HG2 THR 15 3HG2 THR 15 -8.335 -8.492 -8.492 126 3HG2 THR 15 1HG2 THR 15 -8.796 -7.973 -7.973 127 H GLU 16 H GLU 16 -8.539 -4.856 -4.856 128 HA GLU 16 HA GLU 16 -8.865 -7.339 -7.339 129 1HB GLU 16 1HB GLU 16 -6.223 -6.427 -6.427 130 2HB GLU 16 2HB GLU 16 -6.783 -5.589 -5.589 131 1HG GLU 16 1HG GLU 16 -5.633 -7.610 -7.610 132 2HG GLU 16 2HG GLU 16 -7.325 -7.704 -7.704 133 H SER 17 H SER 17 -9.493 -6.764 -6.764 134 HA SER 17 HA SER 17 -10.134 -3.886 -3.886 135 1HB SER 17 1HB SER 17 -12.294 -4.764 -4.764 136 2HB SER 17 2HB SER 17 -12.215 -4.554 -4.554 137 HG SER 17 HG SER 17 -13.133 -6.570 -6.570 138 HA PRO 18 HA PRO 18 -8.118 -5.582 -5.582 139 1HB PRO 18 1HB PRO 18 -7.051 -3.201 -3.201 140 2HB PRO 18 2HB PRO 18 -6.278 -4.268 -4.268 141 1HG PRO 18 1HG PRO 18 -7.854 -1.773 -1.773 142 2HG PRO 18 2HG PRO 18 -6.349 -2.294 -2.294 143 1HD PRO 18 1HD PRO 18 -8.879 -2.558 -2.558 144 2HD PRO 18 2HD PRO 18 -7.543 -3.661 -3.661 145 H ASP 19 H ASP 19 -8.375 -4.108 -4.108 146 HA ASP 19 HA ASP 19 -11.202 -4.188 -4.188 147 1HB ASP 19 1HB ASP 19 -10.606 -3.478 -3.478 148 2HB ASP 19 2HB ASP 19 -9.584 -4.810 -4.810 149 H CYS 20 H CYS 20 -10.549 -2.205 -2.205 150 HA CYS 20 HA CYS 20 -11.146 0.434 0.434 151 1HB CYS 20 1HB CYS 20 -10.885 -0.553 -0.553 152 2HB CYS 20 2HB CYS 20 -11.248 1.092 1.092 153 H SER 21 H SER 21 -12.982 -0.745 -0.745 154 HA SER 21 HA SER 21 -15.350 0.306 0.306 155 1HB SER 21 1HB SER 21 -16.684 -1.841 -1.841 156 2HB SER 21 2HB SER 21 -15.551 -1.705 -1.705 157 HG SER 21 HG SER 21 -14.018 -2.848 -2.848 158 H ARG 22 H ARG 22 -13.970 1.107 1.107 159 HA ARG 22 HA ARG 22 -13.945 1.664 1.664 160 1HB ARG 22 1HB ARG 22 -16.856 1.225 1.225 161 2HB ARG 22 2HB ARG 22 -16.279 2.116 2.116 162 1HG ARG 22 1HG ARG 22 -15.371 3.874 3.874 163 2HG ARG 22 2HG ARG 22 -15.604 2.955 2.955 164 1HD ARG 22 1HD ARG 22 -17.391 4.695 4.695 165 2HD ARG 22 2HD ARG 22 -17.985 3.032 3.032 166 HE ARG 22 HE ARG 22 -17.506 4.012 4.012 167 1HH1 ARG 22 2HH2 ARG 22 -20.041 3.631 3.631 168 2HH1 ARG 22 1HH2 ARG 22 -21.275 3.424 3.424 169 1HH2 ARG 22 2HH1 ARG 22 -19.145 3.029 3.029 170 2HH2 ARG 22 1HH1 ARG 22 -20.820 3.170 3.170 171 H ILE 23 H ILE 23 -13.138 -0.929 -0.929 172 HA ILE 23 HA ILE 23 -14.666 -2.448 -2.448 173 HB ILE 23 HB ILE 23 -11.872 -2.950 -2.950 174 1HG1 ILE 23 1HG1 ILE 23 -14.596 -3.808 -3.808 175 2HG1 ILE 23 2HG1 ILE 23 -13.259 -3.053 -3.053 176 1HG2 ILE 23 2HG2 ILE 23 -12.454 -4.015 -4.015 177 2HG2 ILE 23 3HG2 ILE 23 -13.807 -4.837 -4.837 178 3HG2 ILE 23 1HG2 ILE 23 -12.137 -5.186 -5.186 179 1HD1 ILE 23 2HD1 ILE 23 -11.924 -5.215 -5.215 180 2HD1 ILE 23 3HD1 ILE 23 -13.482 -5.924 -5.924 181 3HD1 ILE 23 1HD1 ILE 23 -13.242 -5.293 -5.293 182 H TYR 24 H TYR 24 -14.270 -2.087 -2.087 183 HA TYR 24 HA TYR 24 -12.010 -0.258 -0.258 184 1HB TYR 24 1HB TYR 24 -14.541 -0.173 -0.173 185 2HB TYR 24 2HB TYR 24 -13.968 -1.207 -1.207 186 HD1 TYR 24 HD2 TYR 24 -11.144 0.068 0.068 187 HD2 TYR 24 HD1 TYR 24 -15.090 1.767 1.767 188 HE1 TYR 24 HE2 TYR 24 -10.558 1.754 1.754 189 HE2 TYR 24 HE1 TYR 24 -14.410 3.616 3.616 190 HH TYR 24 HH TYR 24 -11.326 3.534 3.534 191 H ASP 25 H ASP 25 -10.339 -1.771 -1.771 192 HA ASP 25 HA ASP 25 -10.023 -3.885 -3.885 193 1HB ASP 25 1HB ASP 25 -10.977 -5.017 -5.017 194 2HB ASP 25 2HB ASP 25 -9.613 -4.429 -4.429 195 HA PRO 26 HA PRO 26 -6.898 -0.736 -0.736 196 1HB PRO 26 1HB PRO 26 -6.029 -0.254 -0.254 197 2HB PRO 26 2HB PRO 26 -7.438 0.503 0.503 198 1HG PRO 26 1HG PRO 26 -7.429 -1.772 -1.772 199 2HG PRO 26 2HG PRO 26 -8.598 -0.447 -0.447 200 1HD PRO 26 1HD PRO 26 -8.967 -3.014 -3.014 201 2HD PRO 26 2HD PRO 26 -9.734 -1.564 -1.564 202 H VAL 27 H VAL 27 -4.524 -0.553 -0.553 203 HA VAL 27 HA VAL 27 -3.101 -2.938 -2.938 204 HB VAL 27 HB VAL 27 -1.818 -3.141 -3.141 205 1HG1 VAL 27 2HG1 VAL 27 -3.751 -4.678 -4.678 206 2HG1 VAL 27 3HG1 VAL 27 -4.775 -3.584 -3.584 207 3HG1 VAL 27 1HG1 VAL 27 -3.399 -4.390 -4.390 208 1HG2 VAL 27 3HG2 VAL 27 -2.187 -0.934 -0.934 209 2HG2 VAL 27 1HG2 VAL 27 -2.629 -2.210 -2.210 210 3HG2 VAL 27 2HG2 VAL 27 -3.901 -1.316 -1.316 211 H CYS 28 H CYS 28 -0.952 -2.399 -2.399 212 HA CYS 28 HA CYS 28 -0.389 0.537 0.537 213 1HB CYS 28 1HB CYS 28 -0.489 -0.550 -0.550 214 2HB CYS 28 2HB CYS 28 0.893 -1.568 -1.568 215 H GLY 29 H GLY 29 1.013 1.224 1.224 216 1HA GLY 29 1HA GLY 29 2.508 -0.668 -0.668 217 2HA GLY 29 2HA GLY 29 2.480 1.081 1.081 218 H THR 30 H THR 30 4.905 -0.252 -0.252 219 HA THR 30 HA THR 30 6.599 -0.147 -0.147 220 HB THR 30 HB THR 30 8.367 0.098 0.098 221 HG1 THR 30 HG1 THR 30 7.553 -0.530 -0.530 222 1HG2 THR 30 2HG2 THR 30 6.501 -2.311 -2.311 223 2HG2 THR 30 3HG2 THR 30 8.155 -2.275 -2.275 224 3HG2 THR 30 1HG2 THR 30 7.889 -2.030 -2.030 225 H ASP 31 H ASP 31 5.055 2.349 2.349 226 HA ASP 31 HA ASP 31 6.973 4.474 4.474 227 1HB ASP 31 1HB ASP 31 5.053 5.889 5.889 228 2HB ASP 31 2HB ASP 31 5.613 4.782 4.782 229 H GLY 32 H GLY 32 4.407 2.629 2.629 230 1HA GLY 32 1HA GLY 32 3.915 2.592 2.592 231 2HA GLY 32 2HA GLY 32 4.671 4.172 4.172 232 H VAL 33 H VAL 33 2.573 3.902 3.902 233 HA VAL 33 HA VAL 33 0.584 5.622 5.622 234 HB VAL 33 HB VAL 33 0.989 4.782 4.782 235 1HG1 VAL 33 3HG1 VAL 33 -0.997 6.755 6.755 236 2HG1 VAL 33 1HG1 VAL 33 -0.636 6.593 6.593 237 3HG1 VAL 33 2HG1 VAL 33 -1.386 5.250 5.250 238 1HG2 VAL 33 3HG2 VAL 33 2.741 6.337 6.337 239 2HG2 VAL 33 1HG2 VAL 33 1.746 7.042 7.042 240 3HG2 VAL 33 2HG2 VAL 33 1.442 7.471 7.471 241 H THR 34 H THR 34 -1.321 4.810 4.810 242 HA THR 34 HA THR 34 -2.107 2.028 2.028 243 HB THR 34 HB THR 34 -3.446 4.195 4.195 244 HG1 THR 34 HG1 THR 34 -1.562 3.261 3.261 245 1HG2 THR 34 2HG2 THR 34 -4.227 1.312 1.312 246 2HG2 THR 34 3HG2 THR 34 -4.877 2.309 2.309 247 3HG2 THR 34 1HG2 THR 34 -5.178 2.771 2.771 248 H TYR 35 H TYR 35 -2.722 1.810 1.810 249 HA TYR 35 HA TYR 35 -4.340 3.866 3.866 250 1HB TYR 35 1HB TYR 35 -3.270 1.115 1.115 251 2HB TYR 35 2HB TYR 35 -4.441 1.972 1.972 252 HD1 TYR 35 HD1 TYR 35 -3.917 4.015 4.015 253 HD2 TYR 35 HD2 TYR 35 -0.917 2.025 2.025 254 HE1 TYR 35 HE1 TYR 35 -2.211 5.525 5.525 255 HE2 TYR 35 HE2 TYR 35 0.807 3.550 3.550 256 HH TYR 35 HH TYR 35 -0.143 6.403 6.403 257 H GLU 36 H GLU 36 -6.517 3.599 3.599 258 HA GLU 36 HA GLU 36 -8.176 2.165 2.165 259 1HB GLU 36 1HB GLU 36 -8.750 3.394 3.394 260 2HB GLU 36 2HB GLU 36 -9.961 2.862 2.862 261 1HG GLU 36 1HG GLU 36 -9.859 5.191 5.191 262 2HG GLU 36 2HG GLU 36 -9.048 4.534 4.534 263 H SER 37 H SER 37 -6.975 1.415 1.415 264 HA SER 37 HA SER 37 -7.179 -1.370 -1.370 265 1HB SER 37 1HB SER 37 -8.829 -1.929 -1.929 266 2HB SER 37 2HB SER 37 -9.574 -1.010 -1.010 267 HG SER 37 HG SER 37 -9.278 -0.410 -0.410 268 H GLU 38 H GLU 38 -6.618 -2.447 -2.447 269 HA GLU 38 HA GLU 38 -4.083 -1.158 -1.158 270 1HB GLU 38 1HB GLU 38 -5.191 -3.531 -3.531 271 2HB GLU 38 2HB GLU 38 -3.514 -2.982 -2.982 272 1HG GLU 38 1HG GLU 38 -3.522 -3.433 -3.433 273 2HG GLU 38 2HG GLU 38 -5.182 -4.049 -4.049 274 H CYS 39 H CYS 39 -7.170 -0.914 -0.914 275 HA CYS 39 HA CYS 39 -6.530 -0.267 -0.267 276 1HB CYS 39 1HB CYS 39 -8.811 -0.266 -0.266 277 2HB CYS 39 2HB CYS 39 -8.455 1.085 1.085 278 H LYS 40 H LYS 40 -6.505 1.974 1.974 279 HA LYS 40 HA LYS 40 -5.414 4.227 4.227 280 1HB LYS 40 1HB LYS 40 -5.773 3.922 3.922 281 2HB LYS 40 2HB LYS 40 -5.450 5.424 5.424 282 1HG LYS 40 1HG LYS 40 -7.682 5.164 5.164 283 2HG LYS 40 2HG LYS 40 -7.953 3.686 3.686 284 1HD LYS 40 1HD LYS 40 -9.124 5.209 5.209 285 2HD LYS 40 2HD LYS 40 -7.582 5.085 5.085 286 1HE LYS 40 1HE LYS 40 -8.173 7.388 7.388 287 2HE LYS 40 2HE LYS 40 -6.840 7.219 7.219 288 1HZ LYS 40 3HZ LYS 40 -9.715 7.301 7.301 289 2HZ LYS 40 1HZ LYS 40 -8.716 8.597 8.597 290 3HZ LYS 40 2HZ LYS 40 -8.489 7.308 7.308 291 H LEU 41 H LEU 41 -4.136 1.525 1.525 292 HA LEU 41 HA LEU 41 -1.524 2.708 2.708 293 1HB LEU 41 1HB LEU 41 -2.588 0.803 0.803 294 2HB LEU 41 2HB LEU 41 -2.236 -0.236 -0.236 295 HG LEU 41 HG LEU 41 -0.051 1.334 1.334 296 1HD1 LEU 41 1HD1 LEU 41 -1.060 -1.472 -1.472 297 2HD1 LEU 41 2HD1 LEU 41 0.384 -0.708 -0.708 298 3HD1 LEU 41 3HD1 LEU 41 -1.219 -0.039 -0.039 299 1HD2 LEU 41 3HD2 LEU 41 -0.131 -1.074 -1.074 300 2HD2 LEU 41 1HD2 LEU 41 0.746 0.453 0.453 301 3HD2 LEU 41 2HD2 LEU 41 1.287 -0.699 -0.699 302 H CYS 42 H CYS 42 -3.046 0.631 0.631 303 HA CYS 42 HA CYS 42 -0.827 0.172 0.172 304 1HB CYS 42 1HB CYS 42 -3.800 0.347 0.347 305 2HB CYS 42 2HB CYS 42 -2.612 0.011 0.011 306 H LEU 43 H LEU 43 -3.383 2.673 2.673 307 HA LEU 43 HA LEU 43 -2.255 4.438 4.438 308 1HB LEU 43 1HB LEU 43 -3.841 4.809 4.809 309 2HB LEU 43 2HB LEU 43 -3.387 6.201 6.201 310 HG LEU 43 HG LEU 43 -5.331 4.025 4.025 311 1HD1 LEU 43 1HD1 LEU 43 -6.108 5.961 5.961 312 2HD1 LEU 43 2HD1 LEU 43 -5.459 7.081 7.081 313 3HD1 LEU 43 3HD1 LEU 43 -6.806 6.019 6.019 314 1HD2 LEU 43 3HD2 LEU 43 -4.049 6.104 6.104 315 2HD2 LEU 43 1HD2 LEU 43 -4.131 4.334 4.334 316 3HD2 LEU 43 2HD2 LEU 43 -5.599 5.307 5.307 317 H ALA 44 H ALA 44 -1.629 4.407 4.407 318 HA ALA 44 HA ALA 44 0.139 6.562 6.562 319 1HB ALA 44 1HB ALA 44 -0.890 5.677 5.677 320 2HB ALA 44 1HB ALA 44 0.132 4.223 4.223 321 3HB ALA 44 2HB ALA 44 0.870 5.811 5.811 322 H ARG 45 H ARG 45 0.833 3.097 3.097 323 HA ARG 45 HA ARG 45 3.665 3.240 3.240 324 1HB ARG 45 1HB ARG 45 1.838 1.560 1.560 325 2HB ARG 45 2HB ARG 45 3.592 1.353 1.353 326 1HG ARG 45 1HG ARG 45 3.591 0.718 0.718 327 2HG ARG 45 2HG ARG 45 1.978 1.323 1.323 328 1HD ARG 45 1HD ARG 45 1.679 -1.058 -1.058 329 2HD ARG 45 2HD ARG 45 1.129 -0.372 -0.372 330 HE ARG 45 HE ARG 45 2.436 -1.695 -1.695 331 1HH1 ARG 45 2HH2 ARG 45 3.882 -1.595 -1.595 332 2HH1 ARG 45 1HH2 ARG 45 5.270 -2.515 -2.515 333 1HH2 ARG 45 2HH1 ARG 45 3.974 -3.121 -3.121 334 2HH2 ARG 45 1HH1 ARG 45 5.282 -3.541 -3.541 335 H ILE 46 H ILE 46 1.375 4.023 4.023 336 HA ILE 46 HA ILE 46 3.568 4.642 4.642 337 HB ILE 46 HB ILE 46 0.604 5.259 5.259 338 1HG1 ILE 46 1HG1 ILE 46 2.302 2.964 2.964 339 2HG1 ILE 46 2HG1 ILE 46 1.080 2.830 2.830 340 1HG2 ILE 46 1HG2 ILE 46 2.165 6.644 6.644 341 2HG2 ILE 46 2HG2 ILE 46 2.756 5.133 5.133 342 3HG2 ILE 46 3HG2 ILE 46 1.060 5.621 5.621 343 1HD1 ILE 46 1HD1 ILE 46 -0.685 3.507 3.507 344 2HD1 ILE 46 2HD1 ILE 46 0.522 3.477 3.477 345 3HD1 ILE 46 3HD1 ILE 46 0.149 1.998 1.998 346 H GLU 47 H GLU 47 1.293 6.526 6.526 347 HA GLU 47 HA GLU 47 1.983 9.109 9.109 348 1HB GLU 47 1HB GLU 47 0.138 8.211 8.211 349 2HB GLU 47 2HB GLU 47 1.335 8.239 8.239 350 1HG GLU 47 1HG GLU 47 1.552 10.646 10.646 351 2HG GLU 47 2HG GLU 47 0.525 10.662 10.662 352 H ASN 48 H ASN 48 3.355 7.173 7.173 353 HA ASN 48 HA ASN 48 5.447 9.089 9.089 354 1HB ASN 48 1HB ASN 48 4.883 6.213 6.213 355 2HB ASN 48 2HB ASN 48 6.199 7.183 7.183 356 1HD2 ASN 48 2HD2 ASN 48 2.349 8.080 8.080 357 2HD2 ASN 48 1HD2 ASN 48 2.650 7.079 7.079 358 H LYS 49 H LYS 49 5.138 7.007 7.007 359 HA LYS 49 HA LYS 49 6.386 5.576 5.576 360 1HB LYS 49 1HB LYS 49 8.511 7.663 7.663 361 2HB LYS 49 2HB LYS 49 8.514 6.413 6.413 362 1HG LYS 49 1HG LYS 49 6.236 7.485 7.485 363 2HG LYS 49 2HG LYS 49 6.788 8.909 8.909 364 1HD LYS 49 1HD LYS 49 8.365 7.446 7.446 365 2HD LYS 49 2HD LYS 49 7.272 8.787 8.787 366 1HE LYS 49 1HE LYS 49 9.675 9.402 9.402 367 2HE LYS 49 2HE LYS 49 8.668 10.379 10.379 368 1HZ LYS 49 3HZ LYS 49 10.313 8.131 8.131 369 2HZ LYS 49 1HZ LYS 49 10.856 9.663 9.663 370 3HZ LYS 49 2HZ LYS 49 9.598 9.342 9.342 371 H GLN 50 H GLN 50 6.168 4.429 4.429 372 HA GLN 50 HA GLN 50 8.849 3.246 3.246 373 1HB GLN 50 1HB GLN 50 7.099 4.596 4.596 374 2HB GLN 50 2HB GLN 50 8.085 3.210 3.210 375 1HG GLN 50 1HG GLN 50 9.320 5.611 5.611 376 2HG GLN 50 2HG GLN 50 9.094 5.506 5.506 377 1HE2 GLN 50 2HE2 GLN 50 12.336 4.119 4.119 378 2HE2 GLN 50 1HE2 GLN 50 11.337 5.527 5.527 379 H ASP 51 H ASP 51 8.874 1.234 1.234 380 HA ASP 51 HA ASP 51 6.460 -0.462 -0.462 381 1HB ASP 51 1HB ASP 51 8.488 -1.583 -1.583 382 2HB ASP 51 2HB ASP 51 9.359 -0.898 -0.898 383 H ILE 52 H ILE 52 5.100 0.510 0.510 384 HA ILE 52 HA ILE 52 6.009 0.731 0.731 385 HB ILE 52 HB ILE 52 3.269 1.164 1.164 386 1HG1 ILE 52 1HG1 ILE 52 5.271 3.218 3.218 387 2HG1 ILE 52 2HG1 ILE 52 4.980 2.867 2.867 388 1HG2 ILE 52 3HG2 ILE 52 3.174 0.435 0.435 389 2HG2 ILE 52 1HG2 ILE 52 4.245 1.779 1.779 390 3HG2 ILE 52 2HG2 ILE 52 2.623 2.088 2.088 391 1HD1 ILE 52 2HD1 ILE 52 2.566 3.502 3.502 392 2HD1 ILE 52 3HD1 ILE 52 3.003 4.089 4.089 393 3HD1 ILE 52 1HD1 ILE 52 3.734 4.824 4.824 394 H GLN 53 H GLN 53 6.134 -1.261 -1.261 395 HA GLN 53 HA GLN 53 4.356 -3.477 -3.477 396 1HB GLN 53 1HB GLN 53 6.850 -3.454 -3.454 397 2HB GLN 53 2HB GLN 53 5.730 -4.822 -4.822 398 1HG GLN 53 1HG GLN 53 6.064 -4.909 -4.909 399 2HG GLN 53 2HG GLN 53 7.111 -3.524 -3.524 400 1HE2 GLN 53 2HE2 GLN 53 9.816 -5.742 -5.742 401 2HE2 GLN 53 1HE2 GLN 53 8.911 -4.475 -4.475 402 H ILE 54 H ILE 54 3.249 -4.663 -4.663 403 HA ILE 54 HA ILE 54 2.120 -2.901 -2.901 404 HB ILE 54 HB ILE 54 1.411 -5.678 -5.678 405 1HG1 ILE 54 1HG1 ILE 54 -0.226 -3.118 -3.118 406 2HG1 ILE 54 2HG1 ILE 54 0.935 -3.522 -3.522 407 1HG2 ILE 54 1HG2 ILE 54 0.313 -3.937 -3.937 408 2HG2 ILE 54 2HG2 ILE 54 -0.667 -5.197 -5.197 409 3HG2 ILE 54 3HG2 ILE 54 0.825 -5.635 -5.635 410 1HD1 ILE 54 3HD1 ILE 54 -0.177 -5.665 -5.665 411 2HD1 ILE 54 1HD1 ILE 54 -1.429 -5.258 -5.258 412 3HD1 ILE 54 2HD1 ILE 54 -1.230 -4.262 -4.262 413 H VAL 55 H VAL 55 3.092 -2.872 -2.872 414 HA VAL 55 HA VAL 55 5.092 -4.883 -4.883 415 HB VAL 55 HB VAL 55 3.824 -2.513 -2.513 416 1HG1 VAL 55 2HG1 VAL 55 5.916 -4.470 -4.470 417 2HG1 VAL 55 3HG1 VAL 55 5.527 -2.903 -2.903 418 3HG1 VAL 55 1HG1 VAL 55 4.316 -4.188 -4.188 419 1HG2 VAL 55 2HG2 VAL 55 5.464 -2.059 -2.059 420 2HG2 VAL 55 3HG2 VAL 55 6.145 -1.635 -1.635 421 3HG2 VAL 55 1HG2 VAL 55 6.645 -3.130 -3.130 422 H LYS 56 H LYS 56 1.667 -4.015 -4.015 423 HA LYS 56 HA LYS 56 1.162 -6.821 -6.821 424 1HB LYS 56 1HB LYS 56 0.399 -6.537 -6.537 425 2HB LYS 56 2HB LYS 56 2.137 -6.515 -6.515 426 1HG LYS 56 1HG LYS 56 1.749 -4.909 -4.909 427 2HG LYS 56 2HG LYS 56 2.057 -3.961 -3.961 428 1HD LYS 56 1HD LYS 56 -0.376 -3.530 -3.530 429 2HD LYS 56 2HD LYS 56 -0.730 -4.639 -4.639 430 1HE LYS 56 1HE LYS 56 0.881 -2.057 -2.057 431 2HE LYS 56 2HE LYS 56 -0.835 -2.264 -2.264 432 1HZ LYS 56 2HZ LYS 56 -0.183 -3.904 -3.904 433 2HZ LYS 56 3HZ LYS 56 1.424 -3.602 -3.602 434 3HZ LYS 56 1HZ LYS 56 0.480 -2.442 -2.442 435 H ASP 57 H ASP 57 -1.013 -7.301 -7.301 436 HA ASP 57 HA ASP 57 -2.886 -5.730 -5.730 437 1HB ASP 57 1HB ASP 57 -3.388 -7.901 -7.901 438 2HB ASP 57 2HB ASP 57 -4.550 -7.277 -7.277 439 H GLY 58 H GLY 58 -4.426 -4.296 -4.296 440 1HA GLY 58 1HA GLY 58 -5.683 -3.069 -3.069 441 2HA GLY 58 2HA GLY 58 -5.231 -4.150 -4.150 442 H GLU 59 H GLU 59 -5.422 -1.931 -1.931 443 HA GLU 59 HA GLU 59 -3.868 0.223 0.223 444 1HB GLU 59 1HB GLU 59 -5.264 0.005 0.005 445 2HB GLU 59 2HB GLU 59 -4.842 1.489 1.489 446 1HG GLU 59 1HG GLU 59 -6.482 0.876 0.876 447 2HG GLU 59 2HG GLU 59 -6.900 -0.591 -0.591 448 H CYS 60 H CYS 60 -2.130 1.296 1.296 449 HA CYS 60 HA CYS 60 -0.208 -0.247 -0.247 450 1HB CYS 60 1HB CYS 60 -0.015 2.197 2.197 451 2HB CYS 60 2HB CYS 60 0.870 2.239 2.239 Start of MODEL 20 1 1H GLU 1 1HN GLU 1 6.132 -10.345 -10.345 2 2H GLU 1 2HN GLU 1 5.136 -10.695 -10.695 3 3H GLU 1 3HN GLU 1 6.753 -10.628 -10.628 4 HA GLU 1 HA GLU 1 7.200 -12.498 -12.498 5 1HB GLU 1 1HB GLU 1 6.355 -14.193 -14.193 6 2HB GLU 1 2HB GLU 1 6.738 -12.774 -12.774 7 1HG GLU 1 1HG GLU 1 4.005 -12.417 -12.417 8 2HG GLU 1 2HG GLU 1 4.159 -14.143 -14.143 9 H LYS 2 H LYS 2 4.910 -10.953 -10.953 10 HA LYS 2 HA LYS 2 3.319 -13.233 -13.233 11 1HB LYS 2 1HB LYS 2 2.612 -11.739 -11.739 12 2HB LYS 2 2HB LYS 2 2.328 -11.048 -11.048 13 1HG LYS 2 1HG LYS 2 3.825 -9.364 -9.364 14 2HG LYS 2 2HG LYS 2 4.927 -10.289 -10.289 15 1HD LYS 2 1HD LYS 2 2.185 -9.384 -9.384 16 2HD LYS 2 2HD LYS 2 3.628 -8.359 -8.359 17 1HE LYS 2 1HE LYS 2 4.852 -10.136 -10.136 18 2HE LYS 2 2HE LYS 2 3.401 -11.137 -11.137 19 1HZ LYS 2 1HZ LYS 2 3.559 -8.418 -8.418 20 2HZ LYS 2 2HZ LYS 2 3.948 -9.779 -9.779 21 3HZ LYS 2 3HZ LYS 2 2.420 -9.608 -9.608 22 H GLN 3 H GLN 3 3.534 -13.832 -13.832 23 HA GLN 3 HA GLN 3 6.037 -14.980 -14.980 24 1HB GLN 3 1HB GLN 3 3.501 -14.486 -14.486 25 2HB GLN 3 2HB GLN 3 4.909 -14.986 -14.986 26 1HG GLN 3 1HG GLN 3 3.228 -16.786 -16.786 27 2HG GLN 3 2HG GLN 3 4.956 -17.078 -17.078 28 1HE2 GLN 3 2HE2 GLN 3 3.415 -16.559 -16.559 29 2HE2 GLN 3 1HE2 GLN 3 2.643 -15.746 -15.746 30 H VAL 4 H VAL 4 7.841 -13.803 -13.803 31 HA VAL 4 HA VAL 4 9.414 -12.444 -12.444 32 HB VAL 4 HB VAL 4 8.558 -13.706 -13.706 33 1HG1 VAL 4 3HG1 VAL 4 8.470 -10.813 -10.813 34 2HG1 VAL 4 1HG1 VAL 4 8.560 -12.254 -12.254 35 3HG1 VAL 4 2HG1 VAL 4 7.142 -11.991 -11.991 36 1HG2 VAL 4 2HG2 VAL 4 10.841 -13.368 -13.368 37 2HG2 VAL 4 3HG2 VAL 4 10.626 -13.102 -13.102 38 3HG2 VAL 4 1HG2 VAL 4 10.789 -11.714 -11.714 39 H PHE 5 H PHE 5 9.628 -9.972 -9.972 40 HA PHE 5 HA PHE 5 8.151 -8.371 -8.371 41 1HB PHE 5 1HB PHE 5 10.476 -7.809 -7.809 42 2HB PHE 5 2HB PHE 5 9.932 -7.307 -7.307 43 HD1 PHE 5 1HD PHE 5 9.431 -6.698 -6.698 44 HD2 PHE 5 1HD PHE 5 9.023 -5.089 -5.089 45 HE1 PHE 5 2HE PHE 5 8.719 -4.529 -4.529 46 HE2 PHE 5 1HE PHE 5 8.350 -2.903 -2.903 47 HZ PHE 5 HZ PHE 5 8.102 -2.649 -2.649 48 H SER 6 H SER 6 8.432 -7.823 -7.823 49 HA SER 6 HA SER 6 5.626 -6.876 -6.876 50 1HB SER 6 1HB SER 6 6.572 -5.636 -5.636 51 2HB SER 6 2HB SER 6 7.017 -5.060 -5.060 52 HG SER 6 HG SER 6 8.599 -6.757 -6.757 53 H ARG 7 H ARG 7 4.472 -6.957 -6.957 54 HA ARG 7 HA ARG 7 5.063 -9.302 -9.302 55 1HB ARG 7 1HB ARG 7 2.751 -9.922 -9.922 56 2HB ARG 7 2HB ARG 7 3.389 -10.020 -10.020 57 1HG ARG 7 1HG ARG 7 1.391 -9.143 -9.143 58 2HG ARG 7 2HG ARG 7 2.243 -7.615 -7.615 59 1HD ARG 7 1HD ARG 7 1.199 -7.355 -7.355 60 2HD ARG 7 2HD ARG 7 0.643 -9.026 -9.026 61 HE ARG 7 HE ARG 7 -0.517 -7.630 -7.630 62 1HH1 ARG 7 2HH2 ARG 7 -0.893 -8.229 -8.229 63 2HH1 ARG 7 1HH2 ARG 7 -2.353 -7.296 -7.296 64 1HH2 ARG 7 2HH1 ARG 7 -2.575 -6.859 -6.859 65 2HH2 ARG 7 1HH1 ARG 7 -3.550 -7.005 -7.005 66 H MET 8 H MET 8 4.971 -8.843 -8.843 67 HA MET 8 HA MET 8 4.457 -6.172 -6.172 68 1HB MET 8 1HB MET 8 4.933 -8.866 -8.866 69 2HB MET 8 2HB MET 8 4.522 -7.434 -7.434 70 1HG MET 8 1HG MET 8 6.806 -7.404 -7.404 71 2HG MET 8 2HG MET 8 7.009 -7.894 -7.894 72 1HE MET 8 3HE MET 8 8.889 -6.215 -6.215 73 2HE MET 8 1HE MET 8 8.711 -4.446 -4.446 74 3HE MET 8 2HE MET 8 8.486 -5.332 -5.332 75 HA PRO 9 HA PRO 9 0.082 -7.066 -7.066 76 1HB PRO 9 1HB PRO 9 -0.739 -4.662 -4.662 77 2HB PRO 9 2HB PRO 9 -0.356 -4.995 -4.995 78 1HG PRO 9 1HG PRO 9 1.434 -3.612 -3.612 79 2HG PRO 9 2HG PRO 9 1.092 -3.114 -3.114 80 1HD PRO 9 1HD PRO 9 3.307 -4.609 -4.609 81 2HD PRO 9 2HD PRO 9 2.624 -4.664 -4.664 82 H ILE 10 H ILE 10 -0.699 -7.648 -7.648 83 HA ILE 10 HA ILE 10 1.191 -7.584 -7.584 84 HB ILE 10 HB ILE 10 -1.392 -9.105 -9.105 85 1HG1 ILE 10 1HG1 ILE 10 0.107 -9.741 -9.741 86 2HG1 ILE 10 2HG1 ILE 10 0.091 -11.020 -11.020 87 1HG2 ILE 10 2HG2 ILE 10 0.831 -9.487 -9.487 88 2HG2 ILE 10 3HG2 ILE 10 -0.457 -10.674 -10.674 89 3HG2 ILE 10 1HG2 ILE 10 -0.867 -9.069 -9.069 90 1HD1 ILE 10 1HD1 ILE 10 2.283 -10.162 -10.162 91 2HD1 ILE 10 2HD1 ILE 10 2.291 -8.917 -8.917 92 3HD1 ILE 10 3HD1 ILE 10 2.375 -10.612 -10.612 93 H CYS 11 H CYS 11 0.993 -5.599 -5.599 94 HA CYS 11 HA CYS 11 -1.737 -4.541 -4.541 95 1HB CYS 11 1HB CYS 11 0.444 -3.398 -3.398 96 2HB CYS 11 2HB CYS 11 -0.757 -2.393 -2.393 97 H GLU 12 H GLU 12 -1.234 -4.810 -4.810 98 HA GLU 12 HA GLU 12 0.367 -2.589 -2.589 99 1HB GLU 12 1HB GLU 12 0.028 -5.211 -5.211 100 2HB GLU 12 2HB GLU 12 1.081 -3.852 -3.852 101 1HG GLU 12 1HG GLU 12 2.311 -4.279 -4.279 102 2HG GLU 12 2HG GLU 12 1.353 -5.763 -5.763 103 H HIS 13 H HIS 13 -2.085 -1.917 -1.917 104 HA HIS 13 HA HIS 13 -3.627 -1.982 -1.982 105 1HB HIS 13 1HB HIS 13 -4.717 -1.346 -1.346 106 2HB HIS 13 2HB HIS 13 -5.623 -1.557 -1.557 107 HD1 HIS 13 HD1 HIS 13 -4.002 -3.485 -3.485 108 HD2 HIS 13 HD2 HIS 13 -5.635 -4.221 -4.221 109 HE1 HIS 13 HE1 HIS 13 -4.204 -6.019 -6.019 110 HE2 HIS 13 HE2 HIS 13 -5.227 -6.479 -6.479 111 H MET 14 H MET 14 -4.007 -0.034 -0.034 112 HA MET 14 HA MET 14 -2.360 2.196 2.196 113 1HB MET 14 1HB MET 14 -5.105 2.139 2.139 114 2HB MET 14 2HB MET 14 -3.866 3.397 3.397 115 1HG MET 14 1HG MET 14 -2.450 1.906 1.906 116 2HG MET 14 2HG MET 14 -3.465 0.511 0.511 117 1HE MET 14 1HE MET 14 -4.592 4.148 4.148 118 2HE MET 14 2HE MET 14 -3.161 3.784 3.784 119 3HE MET 14 3HE MET 14 -4.776 3.852 3.852 120 H THR 15 H THR 15 -2.926 4.345 4.345 121 HA THR 15 HA THR 15 -4.510 4.250 4.250 122 HB THR 15 HB THR 15 -3.905 6.886 6.886 123 HG1 THR 15 HG1 THR 15 -3.110 6.572 6.572 124 1HG2 THR 15 2HG2 THR 15 -1.998 4.634 4.634 125 2HG2 THR 15 3HG2 THR 15 -1.663 6.363 6.363 126 3HG2 THR 15 1HG2 THR 15 -3.017 5.594 5.594 127 H GLU 16 H GLU 16 -5.847 4.125 4.125 128 HA GLU 16 HA GLU 16 -7.732 6.286 6.286 129 1HB GLU 16 1HB GLU 16 -8.145 3.522 3.522 130 2HB GLU 16 2HB GLU 16 -8.876 5.043 5.043 131 1HG GLU 16 1HG GLU 16 -5.908 4.371 4.371 132 2HG GLU 16 2HG GLU 16 -7.142 4.128 4.128 133 H SER 17 H SER 17 -7.546 3.086 3.086 134 HA SER 17 HA SER 17 -10.280 2.882 2.882 135 1HB SER 17 1HB SER 17 -9.183 1.359 1.359 136 2HB SER 17 2HB SER 17 -8.962 0.914 0.914 137 HG SER 17 HG SER 17 -7.160 2.506 2.506 138 HA PRO 18 HA PRO 18 -9.844 5.916 5.916 139 1HB PRO 18 1HB PRO 18 -12.346 5.783 5.783 140 2HB PRO 18 2HB PRO 18 -12.020 6.541 6.541 141 1HG PRO 18 1HG PRO 18 -12.985 3.710 3.710 142 2HG PRO 18 2HG PRO 18 -13.698 4.930 4.930 143 1HD PRO 18 1HD PRO 18 -11.927 3.005 3.005 144 2HD PRO 18 2HD PRO 18 -11.966 4.627 4.627 145 H ASP 19 H ASP 19 -10.904 5.311 5.311 146 HA ASP 19 HA ASP 19 -9.500 2.907 2.907 147 1HB ASP 19 1HB ASP 19 -9.959 4.714 4.714 148 2HB ASP 19 2HB ASP 19 -11.688 4.494 4.494 149 H CYS 20 H CYS 20 -10.422 0.922 0.922 150 HA CYS 20 HA CYS 20 -12.045 0.208 0.208 151 1HB CYS 20 1HB CYS 20 -10.607 -1.436 -1.436 152 2HB CYS 20 2HB CYS 20 -11.470 -2.107 -2.107 153 H SER 21 H SER 21 -13.950 1.354 1.354 154 HA SER 21 HA SER 21 -16.077 1.321 1.321 155 1HB SER 21 1HB SER 21 -16.379 -1.059 -1.059 156 2HB SER 21 2HB SER 21 -15.678 -1.540 -1.540 157 HG SER 21 HG SER 21 -17.927 -1.506 -1.506 158 H ARG 22 H ARG 22 -16.850 0.579 0.579 159 HA ARG 22 HA ARG 22 -15.325 2.568 2.568 160 1HB ARG 22 1HB ARG 22 -17.896 1.488 1.488 161 2HB ARG 22 2HB ARG 22 -17.013 2.929 2.929 162 1HG ARG 22 1HG ARG 22 -18.531 3.899 3.899 163 2HG ARG 22 2HG ARG 22 -17.258 3.645 3.645 164 1HD ARG 22 1HD ARG 22 -19.476 3.121 3.121 165 2HD ARG 22 2HD ARG 22 -18.467 1.711 1.711 166 HE ARG 22 HE ARG 22 -20.757 2.290 2.290 167 1HH1 ARG 22 2HH2 ARG 22 -18.549 -0.222 -0.222 168 2HH1 ARG 22 1HH2 ARG 22 -18.714 -1.213 -1.213 169 1HH2 ARG 22 2HH1 ARG 22 -21.262 0.786 0.786 170 2HH2 ARG 22 1HH1 ARG 22 -20.467 -0.748 -0.748 171 H ILE 23 H ILE 23 -14.000 0.212 0.212 172 HA ILE 23 HA ILE 23 -14.471 -1.648 -1.648 173 HB ILE 23 HB ILE 23 -12.286 -1.720 -1.720 174 1HG1 ILE 23 1HG1 ILE 23 -15.095 -2.933 -2.933 175 2HG1 ILE 23 2HG1 ILE 23 -14.495 -1.781 -1.781 176 1HG2 ILE 23 1HG2 ILE 23 -11.898 -3.012 -3.012 177 2HG2 ILE 23 2HG2 ILE 23 -13.432 -3.864 -3.864 178 3HG2 ILE 23 3HG2 ILE 23 -12.089 -4.071 -4.071 179 1HD1 ILE 23 3HD1 ILE 23 -12.814 -3.549 -3.549 180 2HD1 ILE 23 1HD1 ILE 23 -13.728 -4.683 -4.683 181 3HD1 ILE 23 2HD1 ILE 23 -14.527 -3.892 -3.892 182 H TYR 24 H TYR 24 -14.304 -0.053 -0.053 183 HA TYR 24 HA TYR 24 -11.689 0.890 0.890 184 1HB TYR 24 1HB TYR 24 -14.034 1.707 1.707 185 2HB TYR 24 2HB TYR 24 -14.080 0.349 0.349 186 HD1 TYR 24 HD1 TYR 24 -11.681 0.175 0.175 187 HD2 TYR 24 HD2 TYR 24 -13.545 3.723 3.723 188 HE1 TYR 24 HE1 TYR 24 -10.167 1.547 1.547 189 HE2 TYR 24 HE2 TYR 24 -12.080 5.111 5.111 190 HH TYR 24 HH TYR 24 -9.255 3.726 3.726 191 H ASP 25 H ASP 25 -10.377 -0.903 -0.903 192 HA ASP 25 HA ASP 25 -10.507 -3.123 -3.123 193 1HB ASP 25 1HB ASP 25 -11.523 -3.966 -3.966 194 2HB ASP 25 2HB ASP 25 -10.100 -3.438 -3.438 195 HA PRO 26 HA PRO 26 -6.890 -0.473 -0.473 196 1HB PRO 26 1HB PRO 26 -6.067 0.041 0.041 197 2HB PRO 26 2HB PRO 26 -7.417 0.882 0.882 198 1HG PRO 26 1HG PRO 26 -7.571 -1.603 -1.603 199 2HG PRO 26 2HG PRO 26 -8.520 -0.099 -0.099 200 1HD PRO 26 1HD PRO 26 -9.606 -2.156 -2.156 201 2HD PRO 26 2HD PRO 26 -9.703 -0.540 -0.540 202 H VAL 27 H VAL 27 -4.577 -0.391 -0.391 203 HA VAL 27 HA VAL 27 -3.299 -2.803 -2.803 204 HB VAL 27 HB VAL 27 -2.012 -3.162 -3.162 205 1HG1 VAL 27 1HG1 VAL 27 -4.088 -4.539 -4.539 206 2HG1 VAL 27 2HG1 VAL 27 -4.993 -3.398 -3.398 207 3HG1 VAL 27 3HG1 VAL 27 -3.670 -4.339 -4.339 208 1HG2 VAL 27 2HG2 VAL 27 -2.344 -0.858 -0.858 209 2HG2 VAL 27 3HG2 VAL 27 -2.662 -2.179 -2.179 210 3HG2 VAL 27 1HG2 VAL 27 -4.014 -1.300 -1.300 211 H CYS 28 H CYS 28 -1.022 -2.458 -2.458 212 HA CYS 28 HA CYS 28 -0.395 0.401 0.401 213 1HB CYS 28 1HB CYS 28 -0.344 -1.039 -1.039 214 2HB CYS 28 2HB CYS 28 0.756 -2.161 -2.161 215 H GLY 29 H GLY 29 1.003 1.446 1.446 216 1HA GLY 29 1HA GLY 29 2.675 0.074 0.074 217 2HA GLY 29 2HA GLY 29 2.621 1.794 1.794 218 H THR 30 H THR 30 4.983 -0.027 -0.027 219 HA THR 30 HA THR 30 6.367 -0.420 -0.420 220 HB THR 30 HB THR 30 8.404 -0.068 -0.068 221 HG1 THR 30 HG1 THR 30 7.298 0.894 0.894 222 1HG2 THR 30 1HG2 THR 30 6.377 -2.317 -2.317 223 2HG2 THR 30 2HG2 THR 30 8.061 -2.342 -2.342 224 3HG2 THR 30 3HG2 THR 30 7.757 -2.234 -2.234 225 H ASP 31 H ASP 31 5.656 2.575 2.575 226 HA ASP 31 HA ASP 31 7.868 3.990 3.990 227 1HB ASP 31 1HB ASP 31 6.739 5.995 5.995 228 2HB ASP 31 2HB ASP 31 6.999 4.881 4.881 229 H GLY 32 H GLY 32 4.735 2.723 2.723 230 1HA GLY 32 1HA GLY 32 3.787 2.546 2.546 231 2HA GLY 32 2HA GLY 32 4.769 3.893 3.893 232 H VAL 33 H VAL 33 3.135 4.202 4.202 233 HA VAL 33 HA VAL 33 0.995 5.870 5.870 234 HB VAL 33 HB VAL 33 1.972 5.545 5.545 235 1HG1 VAL 33 2HG1 VAL 33 -0.278 7.255 7.255 236 2HG1 VAL 33 3HG1 VAL 33 0.361 7.359 7.359 237 3HG1 VAL 33 1HG1 VAL 33 -0.457 5.886 5.886 238 1HG2 VAL 33 3HG2 VAL 33 3.439 6.939 6.939 239 2HG2 VAL 33 1HG2 VAL 33 2.612 7.930 7.930 240 3HG2 VAL 33 2HG2 VAL 33 2.027 7.906 7.906 241 H THR 34 H THR 34 -0.769 4.697 4.697 242 HA THR 34 HA THR 34 -1.387 2.160 2.160 243 HB THR 34 HB THR 34 -2.795 3.722 3.722 244 HG1 THR 34 HG1 THR 34 -1.718 2.370 2.370 245 1HG2 THR 34 3HG2 THR 34 -4.345 2.182 2.182 246 2HG2 THR 34 1HG2 THR 34 -3.254 0.835 0.835 247 3HG2 THR 34 2HG2 THR 34 -4.099 1.729 1.729 248 H TYR 35 H TYR 35 -3.071 1.879 1.879 249 HA TYR 35 HA TYR 35 -4.400 4.340 4.340 250 1HB TYR 35 1HB TYR 35 -3.362 1.859 1.859 251 2HB TYR 35 2HB TYR 35 -4.456 3.028 3.028 252 HD1 TYR 35 HD2 TYR 35 -1.033 2.666 2.666 253 HD2 TYR 35 HD1 TYR 35 -3.680 5.083 5.083 254 HE1 TYR 35 HE2 TYR 35 0.904 3.984 3.984 255 HE2 TYR 35 HE1 TYR 35 -1.769 6.433 6.433 256 HH TYR 35 HH TYR 35 0.449 6.898 6.898 257 H GLU 36 H GLU 36 -6.542 4.081 4.081 258 HA GLU 36 HA GLU 36 -8.161 2.383 2.383 259 1HB GLU 36 1HB GLU 36 -8.827 3.784 3.784 260 2HB GLU 36 2HB GLU 36 -9.959 3.001 3.001 261 1HG GLU 36 1HG GLU 36 -10.110 5.321 5.321 262 2HG GLU 36 2HG GLU 36 -9.260 4.598 4.598 263 H SER 37 H SER 37 -6.621 1.677 1.677 264 HA SER 37 HA SER 37 -8.087 -0.860 -0.860 265 1HB SER 37 1HB SER 37 -9.603 0.870 0.870 266 2HB SER 37 2HB SER 37 -8.279 1.528 1.528 267 HG SER 37 HG SER 37 -9.577 0.290 0.290 268 H GLU 38 H GLU 38 -6.760 -2.312 -2.312 269 HA GLU 38 HA GLU 38 -3.989 -1.773 -1.773 270 1HB GLU 38 1HB GLU 38 -4.817 -4.009 -4.009 271 2HB GLU 38 2HB GLU 38 -5.973 -3.884 -3.884 272 1HG GLU 38 1HG GLU 38 -4.143 -3.745 -3.745 273 2HG GLU 38 2HG GLU 38 -2.953 -4.012 -4.012 274 H CYS 39 H CYS 39 -6.792 -1.787 -1.787 275 HA CYS 39 HA CYS 39 -5.686 -1.152 -1.152 276 1HB CYS 39 1HB CYS 39 -8.028 -1.594 -1.594 277 2HB CYS 39 2HB CYS 39 -8.216 -0.059 -0.059 278 H LYS 40 H LYS 40 -6.434 1.140 1.140 279 HA LYS 40 HA LYS 40 -5.428 3.480 3.480 280 1HB LYS 40 1HB LYS 40 -6.001 3.033 3.033 281 2HB LYS 40 2HB LYS 40 -5.515 4.576 4.576 282 1HG LYS 40 1HG LYS 40 -7.504 4.545 4.545 283 2HG LYS 40 2HG LYS 40 -7.999 3.012 3.012 284 1HD LYS 40 1HD LYS 40 -9.140 4.311 4.311 285 2HD LYS 40 2HD LYS 40 -7.596 4.462 4.462 286 1HE LYS 40 1HE LYS 40 -7.131 6.556 6.556 287 2HE LYS 40 2HE LYS 40 -8.745 6.411 6.411 288 1HZ LYS 40 1HZ LYS 40 -8.270 6.691 6.691 289 2HZ LYS 40 2HZ LYS 40 -8.690 7.913 7.913 290 3HZ LYS 40 3HZ LYS 40 -9.723 6.631 6.631 291 H LEU 41 H LEU 41 -4.008 1.275 1.275 292 HA LEU 41 HA LEU 41 -1.582 2.751 2.751 293 1HB LEU 41 1HB LEU 41 -2.122 0.835 0.835 294 2HB LEU 41 2HB LEU 41 -2.039 -0.267 -0.267 295 HG LEU 41 HG LEU 41 0.428 1.393 1.393 296 1HD1 LEU 41 3HD1 LEU 41 -0.408 -0.709 -0.709 297 2HD1 LEU 41 1HD1 LEU 41 1.259 -0.131 -0.131 298 3HD1 LEU 41 2HD1 LEU 41 -0.008 0.981 0.981 299 1HD2 LEU 41 1HD2 LEU 41 -0.092 -1.588 -1.588 300 2HD2 LEU 41 2HD2 LEU 41 0.294 -0.437 -0.437 301 3HD2 LEU 41 3HD2 LEU 41 1.496 -0.803 -0.803 302 H CYS 42 H CYS 42 -2.566 0.309 0.309 303 HA CYS 42 HA CYS 42 -0.129 0.341 0.341 304 1HB CYS 42 1HB CYS 42 -2.899 -0.692 -0.692 305 2HB CYS 42 2HB CYS 42 -1.579 -0.678 -0.678 306 H LEU 43 H LEU 43 -3.210 2.064 2.064 307 HA LEU 43 HA LEU 43 -2.434 3.563 3.563 308 1HB LEU 43 1HB LEU 43 -4.124 4.187 4.187 309 2HB LEU 43 2HB LEU 43 -3.946 5.365 5.365 310 HG LEU 43 HG LEU 43 -5.017 2.568 2.568 311 1HD1 LEU 43 2HD1 LEU 43 -6.480 5.156 5.156 312 2HD1 LEU 43 3HD1 LEU 43 -7.238 3.774 3.774 313 3HD1 LEU 43 1HD1 LEU 43 -6.640 3.592 3.592 314 1HD2 LEU 43 3HD2 LEU 43 -5.007 5.149 5.149 315 2HD2 LEU 43 1HD2 LEU 43 -4.107 3.656 3.656 316 3HD2 LEU 43 2HD2 LEU 43 -5.864 3.655 3.655 317 H ALA 44 H ALA 44 -1.814 4.224 4.224 318 HA ALA 44 HA ALA 44 -0.254 6.526 6.526 319 1HB ALA 44 2HB ALA 44 -1.250 5.944 5.944 320 2HB ALA 44 1HB ALA 44 -0.069 4.634 4.634 321 3HB ALA 44 1HB ALA 44 0.481 6.310 6.310 322 H ARG 45 H ARG 45 0.755 3.049 3.049 323 HA ARG 45 HA ARG 45 3.544 3.507 3.507 324 1HB ARG 45 1HB ARG 45 1.962 1.325 1.325 325 2HB ARG 45 2HB ARG 45 3.712 1.397 1.397 326 1HG ARG 45 1HG ARG 45 3.683 1.098 1.098 327 2HG ARG 45 2HG ARG 45 1.955 1.269 1.269 328 1HD ARG 45 1HD ARG 45 2.455 -1.097 -1.097 329 2HD ARG 45 2HD ARG 45 1.640 -0.744 -0.744 330 HE ARG 45 HE ARG 45 3.177 -1.641 -1.641 331 1HH1 ARG 45 2HH2 ARG 45 4.606 -1.206 -1.206 332 2HH1 ARG 45 1HH2 ARG 45 6.108 -2.016 -2.016 333 1HH2 ARG 45 2HH1 ARG 45 4.855 -3.009 -3.009 334 2HH2 ARG 45 1HH1 ARG 45 6.367 -2.864 -2.864 335 H ILE 46 H ILE 46 1.066 3.492 3.492 336 HA ILE 46 HA ILE 46 2.939 3.988 3.988 337 HB ILE 46 HB ILE 46 -0.082 4.388 4.388 338 1HG1 ILE 46 1HG1 ILE 46 1.359 2.067 2.067 339 2HG1 ILE 46 2HG1 ILE 46 0.929 1.986 1.986 340 1HG2 ILE 46 3HG2 ILE 46 1.867 4.300 4.300 341 2HG2 ILE 46 1HG2 ILE 46 0.110 4.222 4.222 342 3HG2 ILE 46 2HG2 ILE 46 0.852 5.672 5.672 343 1HD1 ILE 46 1HD1 ILE 46 -1.448 2.434 2.434 344 2HD1 ILE 46 2HD1 ILE 46 -1.046 2.371 2.371 345 3HD1 ILE 46 3HD1 ILE 46 -0.824 0.939 0.939 346 H GLU 47 H GLU 47 0.514 6.177 6.177 347 HA GLU 47 HA GLU 47 1.315 8.493 8.493 348 1HB GLU 47 1HB GLU 47 0.137 8.160 8.160 349 2HB GLU 47 2HB GLU 47 0.279 9.686 9.686 350 1HG GLU 47 1HG GLU 47 -1.086 8.647 8.647 351 2HG GLU 47 2HG GLU 47 -1.394 7.263 7.263 352 H ASN 48 H ASN 48 2.559 7.152 7.152 353 HA ASN 48 HA ASN 48 4.320 9.447 9.447 354 1HB ASN 48 1HB ASN 48 4.223 6.754 6.754 355 2HB ASN 48 2HB ASN 48 5.360 8.036 8.036 356 1HD2 ASN 48 2HD2 ASN 48 1.402 8.751 8.751 357 2HD2 ASN 48 1HD2 ASN 48 1.840 7.526 7.526 358 H LYS 49 H LYS 49 4.487 6.643 6.643 359 HA LYS 49 HA LYS 49 6.152 5.516 5.516 360 1HB LYS 49 1HB LYS 49 7.494 8.260 8.260 361 2HB LYS 49 2HB LYS 49 8.273 6.826 6.826 362 1HG LYS 49 1HG LYS 49 7.374 7.766 7.766 363 2HG LYS 49 2HG LYS 49 6.240 6.463 6.463 364 1HD LYS 49 1HD LYS 49 4.853 8.326 8.326 365 2HD LYS 49 2HD LYS 49 5.898 9.480 9.480 366 1HE LYS 49 1HE LYS 49 4.117 7.329 7.329 367 2HE LYS 49 2HE LYS 49 3.801 9.059 9.059 368 1HZ LYS 49 3HZ LYS 49 5.928 9.306 9.306 369 2HZ LYS 49 1HZ LYS 49 5.849 7.679 7.679 370 3HZ LYS 49 2HZ LYS 49 4.628 8.693 8.693 371 H GLN 50 H GLN 50 5.830 4.805 4.805 372 HA GLN 50 HA GLN 50 8.589 4.405 4.405 373 1HB GLN 50 1HB GLN 50 6.118 5.289 5.289 374 2HB GLN 50 2HB GLN 50 7.541 4.520 4.520 375 1HG GLN 50 1HG GLN 50 8.964 6.381 6.381 376 2HG GLN 50 2HG GLN 50 7.528 7.173 7.173 377 1HE2 GLN 50 2HE2 GLN 50 6.929 8.770 8.770 378 2HE2 GLN 50 1HE2 GLN 50 7.151 8.963 8.963 379 H ASP 51 H ASP 51 8.943 2.289 2.289 380 HA ASP 51 HA ASP 51 6.683 0.394 0.394 381 1HB ASP 51 1HB ASP 51 8.978 -0.143 -0.143 382 2HB ASP 51 2HB ASP 51 9.561 -0.166 -0.166 383 H ILE 52 H ILE 52 5.383 1.280 1.280 384 HA ILE 52 HA ILE 52 6.506 1.190 1.190 385 HB ILE 52 HB ILE 52 3.719 1.944 1.944 386 1HG1 ILE 52 1HG1 ILE 52 6.068 3.675 3.675 387 2HG1 ILE 52 2HG1 ILE 52 5.461 3.526 3.526 388 1HG2 ILE 52 2HG2 ILE 52 3.790 1.044 1.044 389 2HG2 ILE 52 3HG2 ILE 52 5.016 2.259 2.259 390 3HG2 ILE 52 1HG2 ILE 52 3.369 2.743 2.743 391 1HD1 ILE 52 2HD1 ILE 52 3.248 4.428 4.428 392 2HD1 ILE 52 3HD1 ILE 52 3.990 4.773 4.773 393 3HD1 ILE 52 1HD1 ILE 52 4.605 5.567 5.567 394 H GLN 53 H GLN 53 6.522 -0.840 -0.840 395 HA GLN 53 HA GLN 53 4.893 -2.976 -2.976 396 1HB GLN 53 1HB GLN 53 7.461 -2.962 -2.962 397 2HB GLN 53 2HB GLN 53 6.670 -3.517 -3.517 398 1HG GLN 53 1HG GLN 53 5.755 -5.424 -5.424 399 2HG GLN 53 2HG GLN 53 6.199 -4.844 -4.844 400 1HE2 GLN 53 2HE2 GLN 53 8.773 -7.359 -7.359 401 2HE2 GLN 53 1HE2 GLN 53 7.026 -7.449 -7.449 402 H ILE 54 H ILE 54 3.613 -4.388 -4.388 403 HA ILE 54 HA ILE 54 2.291 -2.725 -2.725 404 HB ILE 54 HB ILE 54 1.627 -5.393 -5.393 405 1HG1 ILE 54 1HG1 ILE 54 0.139 -2.745 -2.745 406 2HG1 ILE 54 2HG1 ILE 54 1.173 -3.205 -3.205 407 1HG2 ILE 54 3HG2 ILE 54 0.339 -3.935 -3.935 408 2HG2 ILE 54 1HG2 ILE 54 -0.445 -5.265 -5.265 409 3HG2 ILE 54 2HG2 ILE 54 1.039 -5.570 -5.570 410 1HD1 ILE 54 3HD1 ILE 54 -0.264 -5.221 -5.221 411 2HD1 ILE 54 1HD1 ILE 54 -1.408 -4.550 -4.550 412 3HD1 ILE 54 2HD1 ILE 54 -1.068 -3.665 -3.665 413 H VAL 55 H VAL 55 2.992 -2.918 -2.918 414 HA VAL 55 HA VAL 55 4.999 -4.915 -4.915 415 HB VAL 55 HB VAL 55 3.300 -3.104 -3.104 416 1HG1 VAL 55 3HG1 VAL 55 5.880 -4.692 -4.692 417 2HG1 VAL 55 1HG1 VAL 55 5.288 -3.448 -3.448 418 3HG1 VAL 55 2HG1 VAL 55 4.341 -4.923 -4.923 419 1HG2 VAL 55 1HG2 VAL 55 6.027 -2.629 -2.629 420 2HG2 VAL 55 2HG2 VAL 55 4.531 -1.729 -1.729 421 3HG2 VAL 55 3HG2 VAL 55 5.282 -1.616 -1.616 422 H LYS 56 H LYS 56 1.516 -4.242 -4.242 423 HA LYS 56 HA LYS 56 0.817 -7.022 -7.022 424 1HB LYS 56 1HB LYS 56 0.002 -6.690 -6.690 425 2HB LYS 56 2HB LYS 56 1.758 -6.762 -6.762 426 1HG LYS 56 1HG LYS 56 2.036 -4.478 -4.478 427 2HG LYS 56 2HG LYS 56 0.386 -4.048 -4.048 428 1HD LYS 56 1HD LYS 56 0.864 -5.832 -5.832 429 2HD LYS 56 2HD LYS 56 1.061 -4.081 -4.081 430 1HE LYS 56 1HE LYS 56 -1.297 -3.834 -3.834 431 2HE LYS 56 2HE LYS 56 -1.473 -5.577 -5.577 432 1HZ LYS 56 1HZ LYS 56 -0.844 -3.904 -3.904 433 2HZ LYS 56 2HZ LYS 56 -2.330 -4.425 -4.425 434 3HZ LYS 56 3HZ LYS 56 -1.181 -5.513 -5.513 435 H ASP 57 H ASP 57 -1.518 -7.111 -7.111 436 HA ASP 57 HA ASP 57 -2.945 -5.095 -5.095 437 1HB ASP 57 1HB ASP 57 -3.935 -7.761 -7.761 438 2HB ASP 57 2HB ASP 57 -4.696 -6.734 -6.734 439 H GLY 58 H GLY 58 -4.655 -3.915 -3.915 440 1HA GLY 58 1HA GLY 58 -5.855 -2.885 -2.885 441 2HA GLY 58 2HA GLY 58 -5.409 -4.079 -4.079 442 H GLU 59 H GLU 59 -5.478 -1.626 -1.626 443 HA GLU 59 HA GLU 59 -3.434 0.185 0.185 444 1HB GLU 59 1HB GLU 59 -4.366 -0.623 -0.623 445 2HB GLU 59 2HB GLU 59 -4.060 0.997 0.997 446 1HG GLU 59 1HG GLU 59 -6.498 -0.767 -0.767 447 2HG GLU 59 2HG GLU 59 -6.398 0.690 0.690 448 H CYS 60 H CYS 60 -1.297 0.385 0.385 449 HA CYS 60 HA CYS 60 0.103 -2.080 -2.080 450 1HB CYS 60 1HB CYS 60 0.885 0.672 0.672 451 2HB CYS 60 2HB CYS 60 1.750 -0.170 -0.170
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