NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
23573 | 2jwu | 15537 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA THR 1 HA THR 1 4.071 -12.588 -2.764 2 HB THR 1 HB THR 1 1.779 -10.921 -1.818 3 HG1 THR 1 1HG THR 1 0.747 -12.544 -1.011 4 H1 THR 1 1HT THR 1 3.668 -11.853 0.051 5 H2 THR 1 2HT THR 1 4.910 -12.820 -0.636 6 H3 THR 1 3HT THR 1 3.295 -13.400 -0.585 7 HG21 THR 1 3HG2 THR 1 2.330 -12.671 -4.177 8 HG22 THR 1 1HG2 THR 1 1.874 -10.968 -4.133 9 HG23 THR 1 2HG2 THR 1 0.684 -12.209 -3.740 10 H THR 2 H THR 2 4.534 -10.799 -4.072 11 HA THR 2 HA THR 2 6.063 -8.757 -2.833 12 HB THR 2 HB THR 2 5.084 -8.955 -5.689 13 HG1 THR 2 1HG THR 2 7.584 -9.727 -4.605 14 HG21 THR 2 3HG2 THR 2 7.484 -7.468 -4.665 15 HG22 THR 2 1HG2 THR 2 5.934 -6.706 -5.026 16 HG23 THR 2 2HG2 THR 2 6.847 -7.499 -6.311 17 H TYR 3 H TYR 3 5.331 -6.985 -1.895 18 HA TYR 3 HA TYR 3 2.668 -5.982 -2.591 19 HD1 TYR 3 2HD TYR 3 0.985 -4.521 -0.871 20 HD2 TYR 3 1HD TYR 3 3.070 -7.846 0.762 21 HE1 TYR 3 2HE TYR 3 -1.139 -5.433 -0.031 22 HE2 TYR 3 1HE TYR 3 0.959 -8.768 1.605 23 HH TYR 3 HH TYR 3 -1.412 -8.625 1.183 24 HB2 TYR 3 2HB TYR 3 4.283 -6.082 -0.143 25 HB3 TYR 3 1HB TYR 3 3.512 -4.519 -0.413 26 H LYS 4 H LYS 4 2.365 -4.047 -3.548 27 HA LYS 4 HA LYS 4 4.754 -2.378 -3.990 28 HB2 LYS 4 2HB LYS 4 2.341 -2.482 -5.784 29 HB3 LYS 4 1HB LYS 4 3.898 -1.755 -6.128 30 HG2 LYS 4 2HG LYS 4 4.913 -4.011 -6.075 31 HG3 LYS 4 1HG LYS 4 3.299 -4.692 -5.857 32 HD2 LYS 4 2HD LYS 4 2.590 -3.880 -7.988 33 HD3 LYS 4 1HD LYS 4 4.068 -2.934 -8.182 34 HE2 LYS 4 2HE LYS 4 4.814 -4.690 -9.354 35 HE3 LYS 4 1HE LYS 4 5.049 -5.455 -7.783 36 HZ1 LYS 4 3HZ LYS 4 3.787 -6.809 -9.429 37 HZ2 LYS 4 1HZ LYS 4 2.541 -5.668 -9.342 38 HZ3 LYS 4 2HZ LYS 4 2.966 -6.551 -7.972 39 H LEU 5 H LEU 5 4.677 -0.246 -3.528 40 HA LEU 5 HA LEU 5 2.091 0.947 -2.825 41 HG LEU 5 HG LEU 5 3.407 3.241 -1.198 42 HB2 LEU 5 2HB LEU 5 3.034 0.291 -0.719 43 HB3 LEU 5 1HB LEU 5 4.592 0.992 -1.143 44 HD11 LEU 5 1HD1 LEU 5 1.131 1.813 -1.085 45 HD12 LEU 5 2HD1 LEU 5 1.265 3.488 -0.547 46 HD13 LEU 5 3HD1 LEU 5 1.359 2.175 0.627 47 HD21 LEU 5 3HD2 LEU 5 3.258 2.069 1.539 48 HD22 LEU 5 1HD2 LEU 5 3.921 3.617 1.011 49 HD23 LEU 5 2HD2 LEU 5 4.812 2.124 0.705 50 H ILE 6 H ILE 6 1.838 3.036 -3.428 51 HA ILE 6 HA ILE 6 4.189 4.493 -4.417 52 HB ILE 6 HB ILE 6 2.795 5.351 -6.314 53 HG12 ILE 6 2HG1 ILE 6 1.022 3.029 -6.329 54 HG13 ILE 6 1HG1 ILE 6 0.720 4.097 -4.962 55 HG21 ILE 6 1HG2 ILE 6 3.767 3.821 -7.616 56 HG22 ILE 6 2HG2 ILE 6 2.841 2.500 -6.907 57 HG23 ILE 6 3HG2 ILE 6 4.314 3.066 -6.120 58 HD11 ILE 6 3HD1 ILE 6 0.988 5.306 -7.659 59 HD12 ILE 6 1HD1 ILE 6 0.004 5.807 -6.284 60 HD13 ILE 6 2HD1 ILE 6 -0.492 4.429 -7.265 61 H LEU 7 H LEU 7 4.301 6.498 -3.630 62 HA LEU 7 HA LEU 7 1.858 7.662 -2.480 63 HG LEU 7 HG LEU 7 2.577 6.454 -0.575 64 HB2 LEU 7 2HB LEU 7 4.745 8.032 -1.711 65 HB3 LEU 7 1HB LEU 7 3.443 9.046 -1.101 66 HD11 LEU 7 1HD1 LEU 7 4.509 5.266 -0.821 67 HD12 LEU 7 2HD1 LEU 7 4.688 5.779 0.859 68 HD13 LEU 7 3HD1 LEU 7 5.538 6.642 -0.423 69 HD21 LEU 7 3HD2 LEU 7 3.997 7.685 1.640 70 HD22 LEU 7 1HD2 LEU 7 2.278 7.361 1.443 71 HD23 LEU 7 2HD2 LEU 7 2.977 8.833 0.775 72 H ASN 8 H ASN 8 1.161 9.608 -3.143 73 HA ASN 8 HA ASN 8 2.877 11.081 -5.036 74 HB2 ASN 8 2HB ASN 8 -0.138 11.121 -5.096 75 HB3 ASN 8 1HB ASN 8 0.982 11.669 -6.337 76 HD21 ASN 8 1HD2 ASN 8 -1.107 9.300 -5.555 77 HD22 ASN 8 2HD2 ASN 8 -0.454 7.999 -6.502 78 H LEU 9 H LEU 9 3.705 12.634 -3.730 79 HA LEU 9 HA LEU 9 2.043 14.042 -1.828 80 HG LEU 9 HG LEU 9 4.355 12.481 -0.989 81 HB2 LEU 9 2HB LEU 9 4.926 14.243 -2.628 82 HB3 LEU 9 1HB LEU 9 4.188 15.433 -1.579 83 HD11 LEU 9 1HD1 LEU 9 6.192 14.717 -0.512 84 HD12 LEU 9 2HD1 LEU 9 6.495 12.979 -0.556 85 HD13 LEU 9 3HD1 LEU 9 5.843 13.718 0.904 86 HD21 LEU 9 3HD2 LEU 9 2.921 14.720 0.229 87 HD22 LEU 9 1HD2 LEU 9 3.910 13.802 1.364 88 HD23 LEU 9 2HD2 LEU 9 2.679 12.982 0.407 89 H LYS 10 H LYS 10 2.580 16.578 -1.854 90 HA LYS 10 HA LYS 10 1.207 17.576 -4.147 91 HB2 LYS 10 2HB LYS 10 0.880 18.556 -1.921 92 HB3 LYS 10 1HB LYS 10 2.573 19.053 -1.884 93 HG2 LYS 10 2HG LYS 10 1.271 20.962 -2.423 94 HG3 LYS 10 1HG LYS 10 2.124 20.468 -3.890 95 HD2 LYS 10 2HD LYS 10 -0.083 19.097 -4.316 96 HD3 LYS 10 1HD LYS 10 -0.781 20.300 -3.222 97 HE2 LYS 10 2HE LYS 10 -1.094 21.341 -5.236 98 HE3 LYS 10 1HE LYS 10 0.486 21.991 -4.788 99 HZ1 LYS 10 3HZ LYS 10 0.719 21.312 -6.993 100 HZ2 LYS 10 1HZ LYS 10 -0.140 19.873 -6.756 101 HZ3 LYS 10 2HZ LYS 10 1.417 20.046 -6.114 102 H GLN 11 H GLN 11 4.525 17.200 -3.270 103 HA GLN 11 HA GLN 11 5.368 18.125 -5.869 104 HB2 GLN 11 2HB GLN 11 7.093 19.684 -4.835 105 HB3 GLN 11 1HB GLN 11 5.438 20.253 -4.878 106 HG2 GLN 11 2HG GLN 11 5.622 20.687 -2.716 107 HG3 GLN 11 1HG GLN 11 5.660 18.951 -2.442 108 HE21 GLN 11 1HE2 GLN 11 6.869 20.329 -0.592 109 HE22 GLN 11 2HE2 GLN 11 8.589 20.279 -0.747 110 H ALA 12 H ALA 12 5.473 15.602 -4.825 111 HA ALA 12 HA ALA 12 8.195 14.936 -5.122 112 HB1 ALA 12 1HB ALA 12 7.129 14.820 -2.309 113 HB2 ALA 12 2HB ALA 12 8.493 15.763 -2.894 114 HB3 ALA 12 3HB ALA 12 8.597 14.007 -2.850 115 H LYS 13 H LYS 13 7.554 13.376 -6.538 116 HA LYS 13 HA LYS 13 5.526 11.441 -5.788 117 HB2 LYS 13 2HB LYS 13 7.229 11.772 -8.260 118 HB3 LYS 13 1HB LYS 13 6.090 10.458 -8.049 119 HG2 LYS 13 2HG LYS 13 4.237 11.912 -8.054 120 HG3 LYS 13 1HG LYS 13 5.266 13.335 -7.855 121 HD2 LYS 13 2HD LYS 13 4.667 13.359 -10.123 122 HD3 LYS 13 1HD LYS 13 6.296 12.686 -10.102 123 HE2 LYS 13 2HE LYS 13 4.900 10.421 -9.885 124 HE3 LYS 13 1HE LYS 13 3.717 11.394 -10.755 125 HZ1 LYS 13 3HZ LYS 13 5.355 11.813 -12.467 126 HZ2 LYS 13 1HZ LYS 13 5.163 10.140 -12.247 127 HZ3 LYS 13 2HZ LYS 13 6.520 10.930 -11.617 128 H GLU 14 H GLU 14 5.998 9.749 -4.573 129 HA GLU 14 HA GLU 14 8.631 8.471 -4.885 130 HB2 GLU 14 2HB GLU 14 8.495 9.693 -2.750 131 HB3 GLU 14 1HB GLU 14 7.063 8.776 -2.323 132 HG2 GLU 14 2HG GLU 14 8.977 7.873 -1.186 133 HG3 GLU 14 1HG GLU 14 8.392 6.711 -2.375 134 H GLU 15 H GLU 15 8.585 6.382 -5.391 135 HA GLU 15 HA GLU 15 6.291 4.747 -4.622 136 HB2 GLU 15 2HB GLU 15 7.281 4.870 -7.476 137 HB3 GLU 15 1HB GLU 15 5.957 3.888 -6.864 138 HG2 GLU 15 2HG GLU 15 4.718 5.570 -7.693 139 HG3 GLU 15 1HG GLU 15 5.075 6.299 -6.125 140 H ALA 16 H ALA 16 6.770 2.598 -4.322 141 HA ALA 16 HA ALA 16 9.301 1.511 -5.205 142 HB1 ALA 16 1HB ALA 16 8.843 2.377 -2.416 143 HB2 ALA 16 2HB ALA 16 10.340 2.269 -3.342 144 HB3 ALA 16 3HB ALA 16 9.629 0.813 -2.645 145 H ILE 17 H ILE 17 9.559 -0.770 -4.038 146 HA ILE 17 HA ILE 17 6.934 -2.061 -3.812 147 HB ILE 17 HB ILE 17 9.159 -3.231 -5.481 148 HG12 ILE 17 2HG1 ILE 17 8.279 -1.170 -6.528 149 HG13 ILE 17 1HG1 ILE 17 7.869 -2.609 -7.455 150 HG21 ILE 17 1HG2 ILE 17 6.517 -4.137 -4.574 151 HG22 ILE 17 2HG2 ILE 17 7.938 -5.066 -5.055 152 HG23 ILE 17 3HG2 ILE 17 6.853 -4.409 -6.282 153 HD11 ILE 17 3HD1 ILE 17 6.119 -0.680 -6.875 154 HD12 ILE 17 1HD1 ILE 17 5.874 -1.719 -5.474 155 HD13 ILE 17 2HD1 ILE 17 5.656 -2.366 -7.097 156 H LYS 18 H LYS 18 6.828 -3.486 -2.184 157 HA LYS 18 HA LYS 18 9.328 -4.610 -1.124 158 HB2 LYS 18 2HB LYS 18 7.288 -4.025 0.914 159 HB3 LYS 18 1HB LYS 18 9.032 -3.828 0.979 160 HG2 LYS 18 2HG LYS 18 7.669 -1.902 -0.761 161 HG3 LYS 18 1HG LYS 18 7.227 -1.801 0.944 162 HD2 LYS 18 2HD LYS 18 9.087 -0.334 0.514 163 HD3 LYS 18 1HD LYS 18 9.629 -1.679 1.518 164 HE2 LYS 18 2HE LYS 18 10.445 -2.799 -0.557 165 HE3 LYS 18 1HE LYS 18 10.052 -1.327 -1.445 166 HZ1 LYS 18 3HZ LYS 18 12.338 -1.235 -0.907 167 HZ2 LYS 18 1HZ LYS 18 12.062 -1.650 0.710 168 HZ3 LYS 18 2HZ LYS 18 11.566 -0.142 0.127 169 H GLU 19 H GLU 19 9.229 -6.717 -0.517 170 HA GLU 19 HA GLU 19 6.763 -8.141 -1.130 171 HB2 GLU 19 2HB GLU 19 9.280 -8.761 -1.743 172 HB3 GLU 19 1HB GLU 19 9.203 -9.561 -0.179 173 HG2 GLU 19 2HG GLU 19 7.065 -10.660 -1.059 174 HG3 GLU 19 1HG GLU 19 7.601 -10.113 -2.647 175 H LEU 20 H LEU 20 5.633 -9.426 0.312 176 HA LEU 20 HA LEU 20 6.497 -9.554 3.086 177 HG LEU 20 HG LEU 20 4.470 -6.928 4.513 178 HB2 LEU 20 2HB LEU 20 4.493 -7.699 2.141 179 HB3 LEU 20 1HB LEU 20 3.785 -8.840 3.271 180 HD11 LEU 20 1HD1 LEU 20 4.951 -9.194 5.469 181 HD12 LEU 20 2HD1 LEU 20 5.918 -7.879 6.136 182 HD13 LEU 20 3HD1 LEU 20 6.622 -8.983 4.955 183 HD21 LEU 20 3HD2 LEU 20 7.340 -7.143 3.862 184 HD22 LEU 20 1HD2 LEU 20 6.351 -5.720 4.192 185 HD23 LEU 20 2HD2 LEU 20 6.302 -6.483 2.601 186 H VAL 21 H VAL 21 4.175 -10.501 4.233 187 HA VAL 21 HA VAL 21 3.775 -13.013 2.753 188 HB VAL 21 HB VAL 21 3.180 -14.028 4.922 189 HG11 VAL 21 1HG1 VAL 21 5.351 -14.545 4.578 190 HG12 VAL 21 2HG1 VAL 21 5.597 -13.479 5.962 191 HG13 VAL 21 3HG1 VAL 21 5.824 -12.864 4.325 192 HG21 VAL 21 3HG2 VAL 21 3.774 -12.746 6.996 193 HG22 VAL 21 1HG2 VAL 21 2.339 -12.168 6.149 194 HG23 VAL 21 2HG2 VAL 21 3.865 -11.297 5.996 195 H ASP 22 H ASP 22 2.093 -10.633 4.780 196 HA ASP 22 HA ASP 22 -0.388 -11.280 3.353 197 HB2 ASP 22 2HB ASP 22 -0.072 -12.233 5.825 198 HB3 ASP 22 1HB ASP 22 -0.605 -10.603 6.245 199 H ALA 23 H ALA 23 -2.121 -9.521 4.134 200 HA ALA 23 HA ALA 23 -0.940 -6.992 3.395 201 HB1 ALA 23 1HB ALA 23 -3.019 -6.309 2.807 202 HB2 ALA 23 2HB ALA 23 -3.797 -7.143 4.152 203 HB3 ALA 23 3HB ALA 23 -3.281 -8.052 2.733 204 H ALA 24 H ALA 24 -2.527 -8.381 6.237 205 HA ALA 24 HA ALA 24 -2.831 -6.147 7.815 206 HB1 ALA 24 1HB ALA 24 -1.864 -8.117 9.555 207 HB2 ALA 24 2HB ALA 24 -2.659 -8.990 8.246 208 HB3 ALA 24 3HB ALA 24 -3.549 -7.771 9.161 209 H THR 25 H THR 25 0.054 -8.179 7.461 210 HA THR 25 HA THR 25 1.682 -6.512 9.100 211 HB THR 25 HB THR 25 2.170 -8.840 7.275 212 HG1 THR 25 1HG THR 25 1.654 -9.295 9.393 213 HG21 THR 25 3HG2 THR 25 4.411 -7.270 8.525 214 HG22 THR 25 1HG2 THR 25 4.045 -7.320 6.800 215 HG23 THR 25 2HG2 THR 25 4.545 -8.789 7.639 216 H ALA 26 H ALA 26 1.143 -6.860 5.621 217 HA ALA 26 HA ALA 26 3.120 -5.167 4.668 218 HB1 ALA 26 1HB ALA 26 1.633 -4.763 2.739 219 HB2 ALA 26 2HB ALA 26 0.293 -5.483 3.632 220 HB3 ALA 26 3HB ALA 26 1.683 -6.471 3.181 221 H GLU 27 H GLU 27 -0.202 -4.380 5.583 222 HA GLU 27 HA GLU 27 -0.189 -1.644 5.298 223 HB2 GLU 27 2HB GLU 27 -2.186 -2.962 5.850 224 HB3 GLU 27 1HB GLU 27 -1.526 -3.304 7.445 225 HG2 GLU 27 2HG GLU 27 -1.843 -1.119 8.178 226 HG3 GLU 27 1HG GLU 27 -1.986 -0.487 6.538 227 H LYS 28 H LYS 28 1.124 -3.640 7.874 228 HA LYS 28 HA LYS 28 1.629 -1.528 9.703 229 HB2 LYS 28 2HB LYS 28 1.581 -4.055 10.161 230 HB3 LYS 28 1HB LYS 28 3.225 -4.078 9.536 231 HG2 LYS 28 2HG LYS 28 3.261 -2.022 11.379 232 HG3 LYS 28 1HG LYS 28 2.228 -3.242 12.130 233 HD2 LYS 28 2HD LYS 28 4.157 -4.160 12.817 234 HD3 LYS 28 1HD LYS 28 4.279 -4.763 11.162 235 HE2 LYS 28 2HE LYS 28 5.433 -2.525 10.654 236 HE3 LYS 28 1HE LYS 28 5.612 -2.376 12.400 237 HZ1 LYS 28 3HZ LYS 28 7.103 -4.073 12.489 238 HZ2 LYS 28 1HZ LYS 28 7.443 -3.513 10.929 239 HZ3 LYS 28 2HZ LYS 28 6.466 -4.875 11.144 240 H TYR 29 H TYR 29 3.642 -3.205 7.326 241 HA TYR 29 HA TYR 29 5.937 -1.556 7.778 242 HD1 TYR 29 2HD TYR 29 6.240 -1.610 3.992 243 HD2 TYR 29 1HD TYR 29 8.500 -3.663 6.956 244 HE1 TYR 29 2HE TYR 29 8.313 -0.975 2.841 245 HE2 TYR 29 1HE TYR 29 10.584 -3.033 5.810 246 HH TYR 29 HH TYR 29 11.307 -1.131 4.216 247 HB2 TYR 29 2HB TYR 29 6.170 -3.854 6.962 248 HB3 TYR 29 1HB TYR 29 5.255 -3.443 5.512 249 H PHE 30 H PHE 30 3.827 -1.963 4.947 250 HA PHE 30 HA PHE 30 4.732 0.096 3.401 251 HD1 PHE 30 1HD PHE 30 5.173 -0.203 1.878 252 HD2 PHE 30 2HD PHE 30 1.414 -2.098 1.210 253 HE1 PHE 30 1HE PHE 30 5.935 -0.922 -0.338 254 HE2 PHE 30 2HE PHE 30 2.178 -2.815 -1.012 255 HZ PHE 30 HZ PHE 30 4.441 -2.232 -1.786 256 HB2 PHE 30 2HB PHE 30 2.328 -1.533 3.552 257 HB3 PHE 30 1HB PHE 30 1.979 0.075 2.933 258 H LYS 31 H LYS 31 2.222 0.312 5.917 259 HA LYS 31 HA LYS 31 1.665 3.052 5.466 260 HB2 LYS 31 2HB LYS 31 0.207 1.423 6.726 261 HB3 LYS 31 1HB LYS 31 1.326 1.584 8.079 262 HG2 LYS 31 2HG LYS 31 -0.015 3.968 6.846 263 HG3 LYS 31 1HG LYS 31 -0.794 3.004 8.102 264 HD2 LYS 31 2HD LYS 31 1.621 3.390 9.234 265 HD3 LYS 31 1HD LYS 31 1.489 4.868 8.277 266 HE2 LYS 31 2HE LYS 31 -0.054 5.731 9.644 267 HE3 LYS 31 1HE LYS 31 -0.967 4.223 9.699 268 HZ1 LYS 31 3HZ LYS 31 1.118 5.202 11.494 269 HZ2 LYS 31 1HZ LYS 31 1.065 3.535 11.209 270 HZ3 LYS 31 2HZ LYS 31 -0.287 4.329 11.842 271 H LEU 32 H LEU 32 3.890 1.381 7.654 272 HA LEU 32 HA LEU 32 4.744 3.638 9.092 273 HG LEU 32 HG LEU 32 5.498 2.951 10.933 274 HB2 LEU 32 2HB LEU 32 5.480 0.878 8.870 275 HB3 LEU 32 1HB LEU 32 6.932 1.857 8.841 276 HD11 LEU 32 1HD1 LEU 32 5.069 -0.022 10.829 277 HD12 LEU 32 2HD1 LEU 32 3.863 1.252 11.025 278 HD13 LEU 32 3HD1 LEU 32 5.001 0.909 12.326 279 HD21 LEU 32 3HD2 LEU 32 7.746 2.730 11.290 280 HD22 LEU 32 1HD2 LEU 32 7.798 1.079 10.669 281 HD23 LEU 32 2HD2 LEU 32 7.143 1.397 12.277 282 H TYR 33 H TYR 33 5.605 2.417 5.947 283 HA TYR 33 HA TYR 33 7.968 4.005 5.653 284 HD1 TYR 33 2HD TYR 33 5.993 4.345 2.148 285 HD2 TYR 33 1HD TYR 33 9.791 2.700 3.144 286 HE1 TYR 33 2HE TYR 33 6.961 5.368 0.133 287 HE2 TYR 33 1HE TYR 33 10.767 3.721 1.132 288 HH TYR 33 HH TYR 33 8.960 4.913 -1.387 289 HB2 TYR 33 2HB TYR 33 7.894 2.029 4.348 290 HB3 TYR 33 1HB TYR 33 6.272 2.387 3.752 291 H ALA 34 H ALA 34 4.702 4.165 4.247 292 HA ALA 34 HA ALA 34 5.047 6.592 2.894 293 HB1 ALA 34 1HB ALA 34 2.741 4.938 3.725 294 HB2 ALA 34 2HB ALA 34 3.184 5.559 2.134 295 HB3 ALA 34 3HB ALA 34 2.411 6.620 3.314 296 H ASN 35 H ASN 35 4.375 5.910 6.236 297 HA ASN 35 HA ASN 35 3.526 8.612 6.824 298 HB2 ASN 35 2HB ASN 35 2.945 6.273 8.013 299 HB3 ASN 35 1HB ASN 35 4.294 6.778 9.025 300 HD21 ASN 35 1HD2 ASN 35 1.748 6.492 10.027 301 HD22 ASN 35 2HD2 ASN 35 1.129 8.046 10.463 302 H ALA 36 H ALA 36 6.461 6.750 6.895 303 HA ALA 36 HA ALA 36 7.856 8.756 8.481 304 HB1 ALA 36 1HB ALA 36 9.206 6.409 7.215 305 HB2 ALA 36 2HB ALA 36 8.163 6.179 8.621 306 HB3 ALA 36 3HB ALA 36 9.573 7.232 8.731 307 H LYS 37 H LYS 37 8.189 7.256 5.263 308 HA LYS 37 HA LYS 37 10.228 8.964 4.357 309 HB2 LYS 37 2HB LYS 37 8.361 7.029 3.123 310 HB3 LYS 37 1HB LYS 37 9.031 8.242 2.044 311 HG2 LYS 37 2HG LYS 37 10.399 6.276 1.974 312 HG3 LYS 37 1HG LYS 37 11.298 7.577 2.758 313 HD2 LYS 37 2HD LYS 37 10.133 6.433 4.906 314 HD3 LYS 37 1HD LYS 37 10.302 5.025 3.855 315 HE2 LYS 37 2HE LYS 37 12.273 5.148 5.182 316 HE3 LYS 37 1HE LYS 37 12.711 5.661 3.551 317 HZ1 LYS 37 3HZ LYS 37 13.665 7.330 4.714 318 HZ2 LYS 37 1HZ LYS 37 12.598 7.207 6.020 319 HZ3 LYS 37 2HZ LYS 37 12.118 8.003 4.608 320 H THR 38 H THR 38 6.732 9.037 3.638 321 HA THR 38 HA THR 38 6.993 11.932 3.192 322 HB THR 38 HB THR 38 5.477 11.811 1.307 323 HG1 THR 38 1HG THR 38 5.446 9.002 1.667 324 HG21 THR 38 3HG2 THR 38 7.531 9.646 0.951 325 HG22 THR 38 1HG2 THR 38 7.852 11.375 0.810 326 HG23 THR 38 2HG2 THR 38 6.747 10.588 -0.316 327 H VAL 39 H VAL 39 4.162 12.251 2.593 328 HA VAL 39 HA VAL 39 3.148 12.074 5.319 329 HB VAL 39 HB VAL 39 1.884 13.446 2.945 330 HG11 VAL 39 1HG1 VAL 39 0.264 13.084 4.637 331 HG12 VAL 39 2HG1 VAL 39 0.767 14.766 4.777 332 HG13 VAL 39 3HG1 VAL 39 1.383 13.567 5.909 333 HG21 VAL 39 3HG2 VAL 39 4.285 14.146 4.028 334 HG22 VAL 39 1HG2 VAL 39 3.165 15.106 4.992 335 HG23 VAL 39 2HG2 VAL 39 3.173 15.261 3.238 336 H GLU 40 H GLU 40 0.911 11.405 5.698 337 HA GLU 40 HA GLU 40 0.126 9.223 3.881 338 HB2 GLU 40 2HB GLU 40 -1.034 8.288 5.931 339 HB3 GLU 40 1HB GLU 40 0.724 8.273 5.965 340 HG2 GLU 40 2HG GLU 40 0.845 9.770 7.651 341 HG3 GLU 40 1HG GLU 40 -0.595 10.644 7.125 342 H GLY 41 H GLY 41 -1.456 9.961 2.601 343 HA2 GLY 41 2HA GLY 41 -3.631 11.511 3.857 344 HA3 GLY 41 1HA GLY 41 -3.166 11.646 2.160 345 H VAL 42 H VAL 42 -4.661 10.790 0.874 346 HA VAL 42 HA VAL 42 -6.664 9.005 1.730 347 HB VAL 42 HB VAL 42 -7.120 8.653 -0.700 348 HG11 VAL 42 1HG1 VAL 42 -6.792 11.577 -0.502 349 HG12 VAL 42 2HG1 VAL 42 -7.660 10.806 0.826 350 HG13 VAL 42 3HG1 VAL 42 -8.236 10.616 -0.829 351 HG21 VAL 42 3HG2 VAL 42 -4.756 8.828 -1.423 352 HG22 VAL 42 1HG2 VAL 42 -4.828 10.562 -1.127 353 HG23 VAL 42 2HG2 VAL 42 -5.851 9.833 -2.364 354 H TRP 43 H TRP 43 -7.038 6.820 0.970 355 HA TRP 43 HA TRP 43 -4.600 5.307 0.413 356 HD1 TRP 43 HD TRP 43 -5.000 6.797 4.053 357 HE1 TRP 43 1HE TRP 43 -2.629 6.687 5.056 358 HE3 TRP 43 3HE TRP 43 -3.324 2.606 1.684 359 HZ2 TRP 43 2HZ TRP 43 -0.344 5.034 4.860 360 HZ3 TRP 43 3HZ TRP 43 -1.031 1.819 2.139 361 HH2 TRP 43 HH TRP 43 0.425 3.012 3.696 362 HB2 TRP 43 2HB TRP 43 -6.462 5.019 2.734 363 HB3 TRP 43 1HB TRP 43 -5.653 3.591 2.100 364 H THR 44 H THR 44 -5.048 4.468 -1.531 365 HA THR 44 HA THR 44 -7.647 3.129 -1.900 366 HB THR 44 HB THR 44 -6.134 3.725 -4.340 367 HG1 THR 44 1HG THR 44 -7.209 5.895 -2.867 368 HG21 THR 44 3HG2 THR 44 -8.596 3.024 -4.067 369 HG22 THR 44 1HG2 THR 44 -8.181 4.262 -5.252 370 HG23 THR 44 2HG2 THR 44 -8.872 4.727 -3.697 371 H TYR 45 H TYR 45 -7.395 1.012 -1.661 372 HA TYR 45 HA TYR 45 -4.857 -0.253 -2.319 373 HD1 TYR 45 2HD TYR 45 -3.753 -2.064 -0.518 374 HD2 TYR 45 1HD TYR 45 -7.483 -3.590 -1.876 375 HE1 TYR 45 2HE TYR 45 -2.775 -4.314 -0.654 376 HE2 TYR 45 1HE TYR 45 -6.516 -5.846 -2.016 377 HH TYR 45 HH TYR 45 -3.529 -6.655 -0.628 378 HB2 TYR 45 2HB TYR 45 -5.928 -0.823 -0.193 379 HB3 TYR 45 1HB TYR 45 -7.360 -1.385 -1.050 380 H LYS 46 H LYS 46 -4.603 -1.919 -3.796 381 HA LYS 46 HA LYS 46 -6.786 -2.193 -5.758 382 HB2 LYS 46 2HB LYS 46 -3.978 -1.541 -6.073 383 HB3 LYS 46 1HB LYS 46 -4.408 -2.964 -7.014 384 HG2 LYS 46 2HG LYS 46 -4.936 -1.415 -8.554 385 HG3 LYS 46 1HG LYS 46 -6.458 -1.374 -7.661 386 HD2 LYS 46 2HD LYS 46 -6.095 0.828 -7.487 387 HD3 LYS 46 1HD LYS 46 -4.902 0.392 -6.260 388 HE2 LYS 46 2HE LYS 46 -3.809 1.851 -7.773 389 HE3 LYS 46 1HE LYS 46 -3.218 0.228 -8.127 390 HZ1 LYS 46 3HZ LYS 46 -3.707 1.362 -10.160 391 HZ2 LYS 46 1HZ LYS 46 -5.276 1.732 -9.649 392 HZ3 LYS 46 2HZ LYS 46 -4.843 0.126 -9.955 393 H ASP 47 H ASP 47 -7.620 -4.155 -5.993 394 HA ASP 47 HA ASP 47 -6.284 -6.417 -4.718 395 HB2 ASP 47 2HB ASP 47 -8.933 -5.613 -4.786 396 HB3 ASP 47 1HB ASP 47 -8.889 -6.945 -5.939 397 H GLU 48 H GLU 48 -5.049 -5.545 -7.054 398 HA GLU 48 HA GLU 48 -5.814 -7.558 -9.051 399 HB2 GLU 48 2HB GLU 48 -5.361 -4.920 -9.438 400 HB3 GLU 48 1HB GLU 48 -3.745 -5.551 -9.719 401 HG2 GLU 48 2HG GLU 48 -5.708 -7.144 -11.094 402 HG3 GLU 48 1HG GLU 48 -5.861 -5.439 -11.518 403 H THR 49 H THR 49 -3.280 -6.528 -6.913 404 HA THR 49 HA THR 49 -1.978 -9.024 -6.966 405 HB THR 49 HB THR 49 -1.130 -8.399 -9.122 406 HG1 THR 49 1HG THR 49 0.387 -9.295 -7.616 407 HG21 THR 49 3HG2 THR 49 -0.743 -5.750 -7.887 408 HG22 THR 49 1HG2 THR 49 -1.185 -6.182 -9.529 409 HG23 THR 49 2HG2 THR 49 0.496 -6.293 -9.021 410 H LYS 50 H LYS 50 -2.966 -7.278 -5.012 411 HA LYS 50 HA LYS 50 -2.435 -6.399 -2.982 412 HB2 LYS 50 2HB LYS 50 -0.019 -8.044 -3.621 413 HB3 LYS 50 1HB LYS 50 -0.002 -7.004 -2.203 414 HG2 LYS 50 2HG LYS 50 -1.156 -8.490 -1.041 415 HG3 LYS 50 1HG LYS 50 -2.438 -8.498 -2.252 416 HD2 LYS 50 2HD LYS 50 0.110 -10.086 -2.499 417 HD3 LYS 50 1HD LYS 50 -1.382 -10.731 -1.814 418 HE2 LYS 50 2HE LYS 50 -1.165 -9.558 -4.581 419 HE3 LYS 50 1HE LYS 50 -1.018 -11.279 -4.226 420 HZ1 LYS 50 3HZ LYS 50 -3.375 -10.022 -3.126 421 HZ2 LYS 50 1HZ LYS 50 -3.216 -11.489 -3.955 422 HZ3 LYS 50 2HZ LYS 50 -3.322 -10.039 -4.816 423 H THR 51 H THR 51 -2.595 -4.326 -4.173 424 HA THR 51 HA THR 51 -0.006 -2.920 -4.144 425 HB THR 51 HB THR 51 -1.971 -1.611 -5.818 426 HG1 THR 51 1HG THR 51 -2.718 -3.720 -6.195 427 HG21 THR 51 3HG2 THR 51 0.608 -2.887 -6.673 428 HG22 THR 51 1HG2 THR 51 0.525 -1.321 -5.865 429 HG23 THR 51 2HG2 THR 51 -0.255 -1.547 -7.430 430 H PHE 52 H PHE 52 0.099 -0.965 -3.151 431 HA PHE 52 HA PHE 52 -2.361 -0.005 -1.839 432 HD1 PHE 52 1HD PHE 52 -0.350 -2.658 -0.274 433 HD2 PHE 52 2HD PHE 52 -2.402 0.765 1.199 434 HE1 PHE 52 1HE PHE 52 -1.516 -4.070 1.371 435 HE2 PHE 52 2HE PHE 52 -3.571 -0.639 2.847 436 HZ PHE 52 HZ PHE 52 -3.130 -3.060 2.934 437 HB2 PHE 52 2HB PHE 52 0.401 -0.419 -0.810 438 HB3 PHE 52 1HB PHE 52 -0.474 0.998 -0.223 439 H THR 53 H THR 53 -2.914 2.074 -2.176 440 HA THR 53 HA THR 53 -0.908 3.854 -3.388 441 HB THR 53 HB THR 53 -3.836 3.895 -4.103 442 HG1 THR 53 1HG THR 53 -1.704 2.520 -5.354 443 HG21 THR 53 3HG2 THR 53 -2.222 4.753 -6.223 444 HG22 THR 53 1HG2 THR 53 -1.617 5.561 -4.776 445 HG23 THR 53 2HG2 THR 53 -3.312 5.718 -5.230 446 H VAL 54 H VAL 54 -0.551 5.595 -2.190 447 HA VAL 54 HA VAL 54 -2.789 6.807 -0.729 448 HB VAL 54 HB VAL 54 -1.613 5.435 0.911 449 HG11 VAL 54 1HG1 VAL 54 0.730 5.892 1.488 450 HG12 VAL 54 2HG1 VAL 54 0.829 7.023 0.139 451 HG13 VAL 54 3HG1 VAL 54 0.557 5.307 -0.166 452 HG21 VAL 54 3HG2 VAL 54 -2.338 7.146 2.177 453 HG22 VAL 54 1HG2 VAL 54 -1.702 8.366 1.076 454 HG23 VAL 54 2HG2 VAL 54 -0.636 7.595 2.249 455 H THR 55 H THR 55 -2.831 8.987 -0.881 456 HA THR 55 HA THR 55 -0.368 10.398 -1.582 457 HB THR 55 HB THR 55 -1.192 10.167 -3.742 458 HG1 THR 55 1HG THR 55 -2.494 12.533 -2.910 459 HG21 THR 55 3HG2 THR 55 -3.391 10.157 -4.459 460 HG22 THR 55 1HG2 THR 55 -3.972 10.946 -2.993 461 HG23 THR 55 2HG2 THR 55 -3.439 9.269 -2.937 462 H GLU 56 H GLU 56 -0.486 12.716 -1.256 463 HA GLU 56 HA GLU 56 -2.749 13.874 0.047 464 HB2 GLU 56 2HB GLU 56 -1.364 12.402 1.772 465 HB3 GLU 56 1HB GLU 56 -0.344 13.833 1.811 466 HG2 GLU 56 2HG GLU 56 -3.304 13.974 2.244 467 HG3 GLU 56 1HG GLU 56 -2.176 13.657 3.558 Start of MODEL 2 1 HA THR 1 HA THR 1 3.973 -12.346 -2.791 2 HB THR 1 HB THR 1 2.311 -10.916 -1.082 3 HG1 THR 1 1HG THR 1 2.949 -13.389 0.148 4 H1 THR 1 1HT THR 1 4.584 -13.798 -1.068 5 H2 THR 1 2HT THR 1 4.941 -12.491 -0.016 6 H3 THR 1 3HT THR 1 5.905 -12.761 -1.410 7 HG21 THR 1 3HG2 THR 1 1.040 -12.085 -2.501 8 HG22 THR 1 1HG2 THR 1 1.013 -13.277 -1.200 9 HG23 THR 1 2HG2 THR 1 2.148 -13.458 -2.538 10 H THR 2 H THR 2 5.001 -10.751 -3.816 11 HA THR 2 HA THR 2 6.340 -8.624 -2.504 12 HB THR 2 HB THR 2 7.010 -9.518 -4.718 13 HG1 THR 2 1HG THR 2 7.472 -7.300 -3.988 14 HG21 THR 2 3HG2 THR 2 4.653 -8.003 -5.808 15 HG22 THR 2 1HG2 THR 2 4.754 -9.760 -5.699 16 HG23 THR 2 2HG2 THR 2 5.880 -8.875 -6.729 17 H TYR 3 H TYR 3 5.519 -6.828 -1.691 18 HA TYR 3 HA TYR 3 2.837 -5.986 -2.535 19 HD1 TYR 3 2HD TYR 3 0.936 -4.623 -0.723 20 HD2 TYR 3 1HD TYR 3 3.217 -7.932 0.664 21 HE1 TYR 3 2HE TYR 3 -1.133 -5.738 -0.002 22 HE2 TYR 3 1HE TYR 3 1.155 -9.059 1.388 23 HH TYR 3 HH TYR 3 -1.771 -8.365 0.362 24 HB2 TYR 3 2HB TYR 3 4.311 -5.942 0.018 25 HB3 TYR 3 1HB TYR 3 3.399 -4.470 -0.333 26 H LYS 4 H LYS 4 2.473 -4.010 -3.428 27 HA LYS 4 HA LYS 4 4.829 -2.280 -3.803 28 HB2 LYS 4 2HB LYS 4 2.497 -2.473 -5.696 29 HB3 LYS 4 1HB LYS 4 4.043 -1.698 -5.977 30 HG2 LYS 4 2HG LYS 4 4.931 -3.581 -6.741 31 HG3 LYS 4 1HG LYS 4 4.394 -4.483 -5.323 32 HD2 LYS 4 2HD LYS 4 2.533 -5.258 -6.359 33 HD3 LYS 4 1HD LYS 4 2.307 -3.779 -7.294 34 HE2 LYS 4 2HE LYS 4 2.917 -5.871 -8.594 35 HE3 LYS 4 1HE LYS 4 3.888 -4.433 -8.905 36 HZ1 LYS 4 3HZ LYS 4 5.707 -5.325 -7.892 37 HZ2 LYS 4 1HZ LYS 4 5.000 -6.747 -8.478 38 HZ3 LYS 4 2HZ LYS 4 4.808 -6.311 -6.855 39 H LEU 5 H LEU 5 4.639 -0.110 -3.503 40 HA LEU 5 HA LEU 5 1.999 0.989 -2.856 41 HG LEU 5 HG LEU 5 3.395 3.396 -1.082 42 HB2 LEU 5 2HB LEU 5 2.949 0.432 -0.710 43 HB3 LEU 5 1HB LEU 5 4.463 1.225 -1.132 44 HD11 LEU 5 1HD1 LEU 5 1.234 3.551 -1.562 45 HD12 LEU 5 2HD1 LEU 5 0.888 2.947 0.059 46 HD13 LEU 5 3HD1 LEU 5 0.988 1.825 -1.298 47 HD21 LEU 5 3HD2 LEU 5 2.759 3.474 1.308 48 HD22 LEU 5 1HD2 LEU 5 4.253 2.582 1.020 49 HD23 LEU 5 2HD2 LEU 5 2.750 1.711 1.335 50 H ILE 6 H ILE 6 1.699 3.094 -3.454 51 HA ILE 6 HA ILE 6 4.013 4.561 -4.516 52 HB ILE 6 HB ILE 6 2.449 5.392 -6.362 53 HG12 ILE 6 2HG1 ILE 6 0.993 2.832 -5.660 54 HG13 ILE 6 1HG1 ILE 6 0.380 4.452 -5.343 55 HG21 ILE 6 1HG2 ILE 6 2.766 2.944 -7.495 56 HG22 ILE 6 2HG2 ILE 6 3.908 2.854 -6.154 57 HG23 ILE 6 3HG2 ILE 6 4.043 4.150 -7.340 58 HD11 ILE 6 3HD1 ILE 6 0.347 4.913 -7.735 59 HD12 ILE 6 1HD1 ILE 6 -0.619 3.491 -7.339 60 HD13 ILE 6 2HD1 ILE 6 0.982 3.298 -8.057 61 H LEU 7 H LEU 7 4.146 6.487 -3.575 62 HA LEU 7 HA LEU 7 1.682 7.707 -2.538 63 HG LEU 7 HG LEU 7 2.331 6.436 -0.618 64 HB2 LEU 7 2HB LEU 7 4.542 8.056 -1.655 65 HB3 LEU 7 1HB LEU 7 3.196 9.018 -1.051 66 HD11 LEU 7 1HD1 LEU 7 4.459 5.656 0.761 67 HD12 LEU 7 2HD1 LEU 7 5.296 6.530 -0.525 68 HD13 LEU 7 3HD1 LEU 7 4.214 5.196 -0.926 69 HD21 LEU 7 3HD2 LEU 7 2.099 7.223 1.460 70 HD22 LEU 7 1HD2 LEU 7 2.782 8.726 0.836 71 HD23 LEU 7 2HD2 LEU 7 3.824 7.543 1.624 72 H ASN 8 H ASN 8 1.056 9.669 -3.214 73 HA ASN 8 HA ASN 8 2.811 11.054 -5.128 74 HB2 ASN 8 2HB ASN 8 -0.161 10.699 -4.996 75 HB3 ASN 8 1HB ASN 8 0.505 12.124 -5.788 76 HD21 ASN 8 1HD2 ASN 8 0.611 8.601 -5.756 77 HD22 ASN 8 2HD2 ASN 8 0.991 8.420 -7.441 78 H LEU 9 H LEU 9 3.897 12.421 -3.754 79 HA LEU 9 HA LEU 9 2.617 13.901 -1.686 80 HG LEU 9 HG LEU 9 4.902 12.457 -0.974 81 HB2 LEU 9 2HB LEU 9 5.313 13.880 -2.945 82 HB3 LEU 9 1HB LEU 9 4.855 15.293 -2.010 83 HD11 LEU 9 1HD1 LEU 9 7.141 13.262 -1.370 84 HD12 LEU 9 2HD1 LEU 9 6.816 13.226 0.363 85 HD13 LEU 9 3HD1 LEU 9 6.784 14.762 -0.508 86 HD21 LEU 9 3HD2 LEU 9 4.282 15.093 0.344 87 HD22 LEU 9 1HD2 LEU 9 4.640 13.612 1.233 88 HD23 LEU 9 2HD2 LEU 9 3.223 13.688 0.186 89 H LYS 10 H LYS 10 3.093 16.423 -1.717 90 HA LYS 10 HA LYS 10 1.436 17.445 -3.839 91 HB2 LYS 10 2HB LYS 10 2.025 18.180 -1.171 92 HB3 LYS 10 1HB LYS 10 2.525 19.521 -2.183 93 HG2 LYS 10 2HG LYS 10 0.362 19.835 -3.025 94 HG3 LYS 10 1HG LYS 10 -0.180 18.255 -2.471 95 HD2 LYS 10 2HD LYS 10 -0.110 18.964 -0.185 96 HD3 LYS 10 1HD LYS 10 0.673 20.483 -0.628 97 HE2 LYS 10 2HE LYS 10 -1.491 20.757 -2.113 98 HE3 LYS 10 1HE LYS 10 -2.167 19.629 -0.940 99 HZ1 LYS 10 3HZ LYS 10 -2.135 21.165 0.685 100 HZ2 LYS 10 1HZ LYS 10 -2.156 22.260 -0.602 101 HZ3 LYS 10 2HZ LYS 10 -0.699 21.871 0.163 102 H GLN 11 H GLN 11 4.815 17.266 -3.173 103 HA GLN 11 HA GLN 11 5.324 18.940 -5.530 104 HB2 GLN 11 2HB GLN 11 7.418 19.748 -4.375 105 HB3 GLN 11 1HB GLN 11 5.905 20.361 -3.717 106 HG2 GLN 11 2HG GLN 11 6.637 19.723 -1.727 107 HG3 GLN 11 1HG GLN 11 6.384 18.066 -2.256 108 HE21 GLN 11 1HE2 GLN 11 8.341 19.111 -0.391 109 HE22 GLN 11 2HE2 GLN 11 9.888 18.682 -1.020 110 H ALA 12 H ALA 12 5.193 15.996 -5.076 111 HA ALA 12 HA ALA 12 7.308 15.208 -6.705 112 HB1 ALA 12 1HB ALA 12 8.431 13.768 -4.773 113 HB2 ALA 12 2HB ALA 12 7.913 15.149 -3.806 114 HB3 ALA 12 3HB ALA 12 8.985 15.393 -5.183 115 H LYS 13 H LYS 13 7.504 12.843 -6.913 116 HA LYS 13 HA LYS 13 5.151 11.411 -5.874 117 HB2 LYS 13 2HB LYS 13 6.214 11.069 -8.676 118 HB3 LYS 13 1HB LYS 13 4.737 10.400 -8.003 119 HG2 LYS 13 2HG LYS 13 3.589 12.363 -8.192 120 HG3 LYS 13 1HG LYS 13 5.048 13.358 -8.053 121 HD2 LYS 13 2HD LYS 13 4.533 13.617 -10.285 122 HD3 LYS 13 1HD LYS 13 5.667 12.266 -10.342 123 HE2 LYS 13 2HE LYS 13 4.059 11.265 -11.556 124 HE3 LYS 13 1HE LYS 13 3.319 10.956 -9.990 125 HZ1 LYS 13 3HZ LYS 13 2.647 13.050 -11.961 126 HZ2 LYS 13 1HZ LYS 13 2.196 13.203 -10.338 127 HZ3 LYS 13 2HZ LYS 13 1.628 11.898 -11.250 128 H GLU 14 H GLU 14 5.936 9.888 -4.573 129 HA GLU 14 HA GLU 14 8.416 8.507 -5.345 130 HB2 GLU 14 2HB GLU 14 7.108 8.941 -2.667 131 HB3 GLU 14 1HB GLU 14 8.403 7.777 -2.905 132 HG2 GLU 14 2HG GLU 14 8.557 10.746 -3.354 133 HG3 GLU 14 1HG GLU 14 9.282 9.836 -2.027 134 H GLU 15 H GLU 15 8.504 6.323 -5.536 135 HA GLU 15 HA GLU 15 6.194 4.706 -4.816 136 HB2 GLU 15 2HB GLU 15 6.002 3.713 -7.045 137 HB3 GLU 15 1HB GLU 15 5.687 5.442 -7.099 138 HG2 GLU 15 2HG GLU 15 7.171 5.598 -8.728 139 HG3 GLU 15 1HG GLU 15 8.426 5.181 -7.563 140 H ALA 16 H ALA 16 6.717 2.605 -4.342 141 HA ALA 16 HA ALA 16 9.274 1.505 -5.135 142 HB1 ALA 16 1HB ALA 16 10.284 2.408 -3.320 143 HB2 ALA 16 2HB ALA 16 9.591 0.993 -2.528 144 HB3 ALA 16 3HB ALA 16 8.776 2.552 -2.414 145 H ILE 17 H ILE 17 9.575 -0.718 -4.060 146 HA ILE 17 HA ILE 17 6.967 -2.036 -3.698 147 HB ILE 17 HB ILE 17 9.248 -3.262 -5.243 148 HG12 ILE 17 2HG1 ILE 17 8.501 -1.369 -6.532 149 HG13 ILE 17 1HG1 ILE 17 7.841 -2.825 -7.267 150 HG21 ILE 17 1HG2 ILE 17 7.100 -4.447 -4.048 151 HG22 ILE 17 2HG2 ILE 17 7.993 -5.105 -5.419 152 HG23 ILE 17 3HG2 ILE 17 6.513 -4.188 -5.688 153 HD11 ILE 17 3HD1 ILE 17 6.480 -0.518 -6.290 154 HD12 ILE 17 1HD1 ILE 17 5.928 -1.944 -5.416 155 HD13 ILE 17 2HD1 ILE 17 5.836 -1.898 -7.174 156 H LYS 18 H LYS 18 6.862 -3.327 -1.968 157 HA LYS 18 HA LYS 18 9.379 -4.257 -0.754 158 HB2 LYS 18 2HB LYS 18 7.038 -3.685 0.999 159 HB3 LYS 18 1HB LYS 18 8.756 -3.590 1.358 160 HG2 LYS 18 2HG LYS 18 7.310 -1.636 -0.412 161 HG3 LYS 18 1HG LYS 18 7.557 -1.399 1.318 162 HD2 LYS 18 2HD LYS 18 9.722 -1.734 -0.760 163 HD3 LYS 18 1HD LYS 18 9.250 -0.219 0.014 164 HE2 LYS 18 2HE LYS 18 10.692 -0.632 1.649 165 HE3 LYS 18 1HE LYS 18 9.771 -2.072 2.078 166 HZ1 LYS 18 3HZ LYS 18 12.067 -2.629 1.656 167 HZ2 LYS 18 1HZ LYS 18 11.989 -1.944 0.110 168 HZ3 LYS 18 2HZ LYS 18 11.084 -3.327 0.468 169 H GLU 19 H GLU 19 9.457 -6.361 -0.187 170 HA GLU 19 HA GLU 19 7.188 -8.031 -0.893 171 HB2 GLU 19 2HB GLU 19 10.060 -8.579 -0.195 172 HB3 GLU 19 1HB GLU 19 8.880 -9.881 -0.266 173 HG2 GLU 19 2HG GLU 19 8.355 -9.116 -2.609 174 HG3 GLU 19 1HG GLU 19 9.769 -8.070 -2.489 175 H LEU 20 H LEU 20 5.894 -9.092 0.482 176 HA LEU 20 HA LEU 20 6.638 -9.319 3.300 177 HG LEU 20 HG LEU 20 6.482 -6.791 2.941 178 HB2 LEU 20 2HB LEU 20 4.062 -8.074 2.338 179 HB3 LEU 20 1HB LEU 20 4.407 -8.504 4.001 180 HD11 LEU 20 1HD1 LEU 20 3.745 -6.112 2.226 181 HD12 LEU 20 2HD1 LEU 20 5.267 -5.417 1.676 182 HD13 LEU 20 3HD1 LEU 20 4.539 -4.861 3.182 183 HD21 LEU 20 3HD2 LEU 20 4.513 -6.578 5.211 184 HD22 LEU 20 1HD2 LEU 20 5.832 -5.443 4.931 185 HD23 LEU 20 2HD2 LEU 20 6.183 -7.133 5.292 186 H VAL 21 H VAL 21 4.409 -10.406 4.363 187 HA VAL 21 HA VAL 21 4.087 -12.853 2.768 188 HB VAL 21 HB VAL 21 3.463 -13.968 4.874 189 HG11 VAL 21 1HG1 VAL 21 5.885 -13.609 3.997 190 HG12 VAL 21 2HG1 VAL 21 5.630 -14.270 5.614 191 HG13 VAL 21 3HG1 VAL 21 6.049 -12.568 5.413 192 HG21 VAL 21 3HG2 VAL 21 4.003 -11.258 6.074 193 HG22 VAL 21 1HG2 VAL 21 3.937 -12.747 7.015 194 HG23 VAL 21 2HG2 VAL 21 2.510 -12.192 6.141 195 H ASP 22 H ASP 22 2.245 -10.618 4.832 196 HA ASP 22 HA ASP 22 -0.156 -11.322 3.293 197 HB2 ASP 22 2HB ASP 22 0.034 -12.399 5.665 198 HB3 ASP 22 1HB ASP 22 -0.361 -10.778 6.238 199 H ALA 23 H ALA 23 -1.954 -9.672 3.737 200 HA ALA 23 HA ALA 23 -0.883 -7.082 3.195 201 HB1 ALA 23 1HB ALA 23 -3.759 -7.387 3.843 202 HB2 ALA 23 2HB ALA 23 -3.139 -8.238 2.428 203 HB3 ALA 23 3HB ALA 23 -2.974 -6.486 2.547 204 H ALA 24 H ALA 24 -2.634 -8.510 5.940 205 HA ALA 24 HA ALA 24 -3.018 -6.295 7.521 206 HB1 ALA 24 1HB ALA 24 -3.742 -8.604 8.090 207 HB2 ALA 24 2HB ALA 24 -2.972 -7.763 9.437 208 HB3 ALA 24 3HB ALA 24 -2.075 -8.982 8.530 209 H THR 25 H THR 25 -0.116 -8.333 7.342 210 HA THR 25 HA THR 25 1.421 -6.667 9.064 211 HB THR 25 HB THR 25 2.012 -8.981 7.251 212 HG1 THR 25 1HG THR 25 1.329 -9.222 9.464 213 HG21 THR 25 3HG2 THR 25 3.907 -7.479 6.866 214 HG22 THR 25 1HG2 THR 25 4.372 -8.916 7.781 215 HG23 THR 25 2HG2 THR 25 4.162 -7.374 8.610 216 H ALA 26 H ALA 26 1.055 -7.001 5.559 217 HA ALA 26 HA ALA 26 3.070 -5.314 4.695 218 HB1 ALA 26 1HB ALA 26 1.716 -4.938 2.697 219 HB2 ALA 26 2HB ALA 26 0.282 -5.537 3.536 220 HB3 ALA 26 3HB ALA 26 1.624 -6.630 3.187 221 H GLU 27 H GLU 27 -0.276 -4.507 5.500 222 HA GLU 27 HA GLU 27 -0.231 -1.769 5.220 223 HB2 GLU 27 2HB GLU 27 -1.703 -3.575 7.132 224 HB3 GLU 27 1HB GLU 27 -1.984 -1.837 7.091 225 HG2 GLU 27 2HG GLU 27 -2.732 -1.961 4.810 226 HG3 GLU 27 1HG GLU 27 -2.318 -3.674 4.731 227 H LYS 28 H LYS 28 0.951 -3.784 7.840 228 HA LYS 28 HA LYS 28 1.403 -1.690 9.701 229 HB2 LYS 28 2HB LYS 28 1.565 -4.440 9.769 230 HB3 LYS 28 1HB LYS 28 3.254 -3.959 9.871 231 HG2 LYS 28 2HG LYS 28 2.416 -4.192 12.085 232 HG3 LYS 28 1HG LYS 28 2.643 -2.471 11.771 233 HD2 LYS 28 2HD LYS 28 0.538 -2.841 12.916 234 HD3 LYS 28 1HD LYS 28 0.241 -2.266 11.274 235 HE2 LYS 28 2HE LYS 28 -1.255 -4.119 11.952 236 HE3 LYS 28 1HE LYS 28 -0.277 -4.493 10.535 237 HZ1 LYS 28 3HZ LYS 28 0.395 -5.338 13.301 238 HZ2 LYS 28 1HZ LYS 28 1.193 -5.795 11.882 239 HZ3 LYS 28 2HZ LYS 28 -0.389 -6.321 12.167 240 H TYR 29 H TYR 29 3.572 -3.431 7.500 241 HA TYR 29 HA TYR 29 5.828 -1.787 8.000 242 HD1 TYR 29 2HD TYR 29 6.269 -1.680 4.271 243 HD2 TYR 29 1HD TYR 29 8.381 -3.942 7.187 244 HE1 TYR 29 2HE TYR 29 8.392 -1.022 3.229 245 HE2 TYR 29 1HE TYR 29 10.516 -3.292 6.152 246 HH TYR 29 HH TYR 29 11.108 -2.476 3.512 247 HB2 TYR 29 2HB TYR 29 6.049 -4.068 7.118 248 HB3 TYR 29 1HB TYR 29 5.200 -3.585 5.650 249 H PHE 30 H PHE 30 3.802 -2.082 5.093 250 HA PHE 30 HA PHE 30 4.780 0.011 3.648 251 HD1 PHE 30 2HD PHE 30 5.101 0.140 2.019 252 HD2 PHE 30 1HD PHE 30 1.640 -2.255 1.350 253 HE1 PHE 30 2HE PHE 30 5.921 -0.415 -0.225 254 HE2 PHE 30 1HE PHE 30 2.462 -2.806 -0.899 255 HZ PHE 30 HZ PHE 30 4.607 -1.889 -1.687 256 HB2 PHE 30 2HB PHE 30 2.375 -1.596 3.639 257 HB3 PHE 30 1HB PHE 30 2.020 0.051 3.132 258 H LYS 31 H LYS 31 2.146 0.199 6.045 259 HA LYS 31 HA LYS 31 1.619 2.932 5.712 260 HB2 LYS 31 2HB LYS 31 0.156 1.378 6.973 261 HB3 LYS 31 1HB LYS 31 1.365 1.323 8.256 262 HG2 LYS 31 2HG LYS 31 0.922 4.023 7.913 263 HG3 LYS 31 1HG LYS 31 -0.679 3.310 7.702 264 HD2 LYS 31 2HD LYS 31 -0.507 2.196 9.838 265 HD3 LYS 31 1HD LYS 31 1.156 2.756 10.034 266 HE2 LYS 31 2HE LYS 31 -0.007 4.279 11.318 267 HE3 LYS 31 1HE LYS 31 0.103 5.121 9.772 268 HZ1 LYS 31 3HZ LYS 31 -2.095 5.350 10.033 269 HZ2 LYS 31 1HZ LYS 31 -2.219 4.078 11.144 270 HZ3 LYS 31 2HZ LYS 31 -2.182 3.753 9.485 271 H LEU 32 H LEU 32 4.043 1.234 7.586 272 HA LEU 32 HA LEU 32 4.941 3.486 9.070 273 HG LEU 32 HG LEU 32 5.730 2.776 10.882 274 HB2 LEU 32 2HB LEU 32 5.613 0.706 8.823 275 HB3 LEU 32 1HB LEU 32 7.077 1.664 8.749 276 HD11 LEU 32 1HD1 LEU 32 5.190 -0.169 10.737 277 HD12 LEU 32 2HD1 LEU 32 4.069 1.147 11.085 278 HD13 LEU 32 3HD1 LEU 32 5.283 0.686 12.277 279 HD21 LEU 32 3HD2 LEU 32 8.169 2.095 10.552 280 HD22 LEU 32 1HD2 LEU 32 7.684 0.514 11.168 281 HD23 LEU 32 2HD2 LEU 32 7.501 1.948 12.178 282 H TYR 33 H TYR 33 5.524 2.312 5.865 283 HA TYR 33 HA TYR 33 7.951 3.787 5.439 284 HD1 TYR 33 1HD TYR 33 5.804 4.269 2.073 285 HD2 TYR 33 2HD TYR 33 9.544 2.374 2.809 286 HE1 TYR 33 1HE TYR 33 6.706 5.256 0.010 287 HE2 TYR 33 2HE TYR 33 10.455 3.359 0.747 288 HH TYR 33 HH TYR 33 9.528 5.774 -0.705 289 HB2 TYR 33 2HB TYR 33 7.703 1.819 4.132 290 HB3 TYR 33 1HB TYR 33 6.070 2.261 3.635 291 H ALA 34 H ALA 34 4.624 4.073 4.202 292 HA ALA 34 HA ALA 34 4.968 6.500 2.864 293 HB1 ALA 34 1HB ALA 34 2.389 6.647 3.347 294 HB2 ALA 34 2HB ALA 34 2.625 4.985 3.889 295 HB3 ALA 34 3HB ALA 34 3.042 5.444 2.237 296 H ASN 35 H ASN 35 4.677 5.840 6.231 297 HA ASN 35 HA ASN 35 3.840 8.529 6.915 298 HB2 ASN 35 2HB ASN 35 3.332 6.267 8.167 299 HB3 ASN 35 1HB ASN 35 4.882 6.589 8.939 300 HD21 ASN 35 1HD2 ASN 35 4.225 7.097 10.943 301 HD22 ASN 35 2HD2 ASN 35 3.195 8.429 11.330 302 H ALA 36 H ALA 36 6.723 6.517 7.523 303 HA ALA 36 HA ALA 36 8.246 8.652 8.612 304 HB1 ALA 36 1HB ALA 36 9.365 6.135 7.408 305 HB2 ALA 36 2HB ALA 36 8.612 6.187 9.002 306 HB3 ALA 36 3HB ALA 36 10.061 7.139 8.681 307 H LYS 37 H LYS 37 8.115 7.169 5.393 308 HA LYS 37 HA LYS 37 10.225 8.743 4.313 309 HB2 LYS 37 2HB LYS 37 8.012 7.419 2.744 310 HB3 LYS 37 1HB LYS 37 9.638 7.809 2.196 311 HG2 LYS 37 2HG LYS 37 9.452 5.998 4.517 312 HG3 LYS 37 1HG LYS 37 8.881 5.362 2.975 313 HD2 LYS 37 2HD LYS 37 10.976 5.028 2.310 314 HD3 LYS 37 1HD LYS 37 11.347 6.737 2.549 315 HE2 LYS 37 2HE LYS 37 11.414 5.923 5.097 316 HE3 LYS 37 1HE LYS 37 11.856 4.408 4.308 317 HZ1 LYS 37 3HZ LYS 37 13.823 5.237 3.607 318 HZ2 LYS 37 1HZ LYS 37 13.633 6.237 4.958 319 HZ3 LYS 37 2HZ LYS 37 13.242 6.814 3.416 320 H THR 38 H THR 38 6.771 8.805 3.408 321 HA THR 38 HA THR 38 7.029 11.722 3.068 322 HB THR 38 HB THR 38 5.551 11.627 1.188 323 HG1 THR 38 1HG THR 38 5.271 8.847 1.641 324 HG21 THR 38 3HG2 THR 38 8.005 10.519 1.043 325 HG22 THR 38 1HG2 THR 38 6.939 10.768 -0.337 326 HG23 THR 38 2HG2 THR 38 7.005 9.191 0.452 327 H VAL 39 H VAL 39 4.169 12.013 2.501 328 HA VAL 39 HA VAL 39 3.190 11.763 5.253 329 HB VAL 39 HB VAL 39 1.549 13.473 4.675 330 HG11 VAL 39 1HG1 VAL 39 3.306 14.611 5.525 331 HG12 VAL 39 2HG1 VAL 39 3.397 15.244 3.883 332 HG13 VAL 39 3HG1 VAL 39 4.452 13.919 4.376 333 HG21 VAL 39 3HG2 VAL 39 0.961 13.338 2.477 334 HG22 VAL 39 1HG2 VAL 39 2.608 13.012 1.941 335 HG23 VAL 39 2HG2 VAL 39 2.132 14.653 2.373 336 H GLU 40 H GLU 40 0.661 11.647 5.288 337 HA GLU 40 HA GLU 40 -0.220 9.583 3.381 338 HB2 GLU 40 2HB GLU 40 -0.529 9.610 6.380 339 HB3 GLU 40 1HB GLU 40 -1.509 8.591 5.336 340 HG2 GLU 40 2HG GLU 40 0.291 7.275 4.713 341 HG3 GLU 40 1HG GLU 40 1.473 8.498 5.178 342 H GLY 41 H GLY 41 -2.155 9.925 2.468 343 HA2 GLY 41 2HA GLY 41 -3.999 11.811 3.772 344 HA3 GLY 41 1HA GLY 41 -3.554 12.046 2.082 345 H VAL 42 H VAL 42 -4.585 10.875 0.516 346 HA VAL 42 HA VAL 42 -6.896 9.328 1.401 347 HB VAL 42 HB VAL 42 -6.154 10.059 -1.433 348 HG11 VAL 42 1HG1 VAL 42 -7.806 8.552 -1.760 349 HG12 VAL 42 2HG1 VAL 42 -8.835 9.929 -1.379 350 HG13 VAL 42 3HG1 VAL 42 -8.448 8.740 -0.132 351 HG21 VAL 42 3HG2 VAL 42 -7.888 11.572 0.510 352 HG22 VAL 42 1HG2 VAL 42 -7.711 11.939 -1.206 353 HG23 VAL 42 2HG2 VAL 42 -6.325 12.093 -0.123 354 H TRP 43 H TRP 43 -6.482 7.330 1.873 355 HA TRP 43 HA TRP 43 -4.491 5.762 0.535 356 HD1 TRP 43 HD TRP 43 -4.631 7.206 3.929 357 HE1 TRP 43 1HE TRP 43 -2.339 6.810 5.031 358 HE3 TRP 43 3HE TRP 43 -3.608 2.575 2.031 359 HZ2 TRP 43 2HZ TRP 43 -0.355 4.802 5.084 360 HZ3 TRP 43 3HZ TRP 43 -1.491 1.483 2.655 361 HH2 TRP 43 HH TRP 43 0.100 2.575 4.149 362 HB2 TRP 43 2HB TRP 43 -6.373 5.415 2.817 363 HB3 TRP 43 1HB TRP 43 -5.663 3.974 2.092 364 H THR 44 H THR 44 -4.825 3.994 -0.785 365 HA THR 44 HA THR 44 -7.482 3.106 -1.461 366 HB THR 44 HB THR 44 -7.209 3.567 -3.895 367 HG1 THR 44 1HG THR 44 -5.645 5.105 -4.498 368 HG21 THR 44 3HG2 THR 44 -7.759 5.910 -3.875 369 HG22 THR 44 1HG2 THR 44 -7.124 6.074 -2.239 370 HG23 THR 44 2HG2 THR 44 -8.560 5.093 -2.533 371 H TYR 45 H TYR 45 -7.253 0.979 -1.436 372 HA TYR 45 HA TYR 45 -4.692 -0.232 -2.085 373 HD1 TYR 45 1HD TYR 45 -3.645 -2.139 -0.478 374 HD2 TYR 45 2HD TYR 45 -7.352 -3.622 -1.941 375 HE1 TYR 45 1HE TYR 45 -2.646 -4.372 -0.727 376 HE2 TYR 45 2HE TYR 45 -6.363 -5.860 -2.195 377 HH TYR 45 HH TYR 45 -3.364 -6.708 -0.840 378 HB2 TYR 45 2HB TYR 45 -5.878 -0.963 -0.072 379 HB3 TYR 45 1HB TYR 45 -7.254 -1.461 -1.052 380 H LYS 46 H LYS 46 -4.470 -1.987 -3.550 381 HA LYS 46 HA LYS 46 -6.518 -2.076 -5.665 382 HB2 LYS 46 2HB LYS 46 -3.831 -1.162 -5.861 383 HB3 LYS 46 1HB LYS 46 -3.938 -2.676 -6.746 384 HG2 LYS 46 2HG LYS 46 -6.129 -0.794 -7.259 385 HG3 LYS 46 1HG LYS 46 -4.533 -0.239 -7.766 386 HD2 LYS 46 2HD LYS 46 -4.361 -2.652 -8.785 387 HD3 LYS 46 1HD LYS 46 -6.122 -2.578 -8.710 388 HE2 LYS 46 2HE LYS 46 -4.814 -0.195 -9.835 389 HE3 LYS 46 1HE LYS 46 -4.625 -1.666 -10.785 390 HZ1 LYS 46 3HZ LYS 46 -7.210 -0.518 -9.874 391 HZ2 LYS 46 1HZ LYS 46 -7.024 -1.926 -10.793 392 HZ3 LYS 46 2HZ LYS 46 -6.586 -0.428 -11.446 393 H ASP 47 H ASP 47 -7.271 -4.046 -6.068 394 HA ASP 47 HA ASP 47 -5.909 -6.341 -4.881 395 HB2 ASP 47 2HB ASP 47 -8.690 -5.757 -5.763 396 HB3 ASP 47 1HB ASP 47 -8.153 -7.438 -5.811 397 H GLU 48 H GLU 48 -5.005 -4.986 -7.399 398 HA GLU 48 HA GLU 48 -5.528 -6.933 -9.474 399 HB2 GLU 48 2HB GLU 48 -5.027 -4.326 -9.641 400 HB3 GLU 48 1HB GLU 48 -3.365 -4.897 -9.732 401 HG2 GLU 48 2HG GLU 48 -3.808 -4.952 -11.937 402 HG3 GLU 48 1HG GLU 48 -4.516 -6.518 -11.543 403 H THR 49 H THR 49 -3.084 -6.245 -7.106 404 HA THR 49 HA THR 49 -1.896 -8.775 -7.289 405 HB THR 49 HB THR 49 -0.946 -8.085 -9.381 406 HG1 THR 49 1HG THR 49 1.255 -8.207 -8.865 407 HG21 THR 49 3HG2 THR 49 0.810 -5.995 -8.751 408 HG22 THR 49 1HG2 THR 49 -0.782 -5.505 -8.173 409 HG23 THR 49 2HG2 THR 49 -0.564 -5.968 -9.863 410 H LYS 50 H LYS 50 -2.847 -7.024 -5.288 411 HA LYS 50 HA LYS 50 -2.331 -6.288 -3.200 412 HB2 LYS 50 2HB LYS 50 0.115 -7.951 -3.781 413 HB3 LYS 50 1HB LYS 50 -0.128 -7.142 -2.238 414 HG2 LYS 50 2HG LYS 50 -0.899 -9.293 -1.856 415 HG3 LYS 50 1HG LYS 50 -2.378 -8.381 -2.175 416 HD2 LYS 50 2HD LYS 50 -1.089 -9.559 -4.543 417 HD3 LYS 50 1HD LYS 50 -1.731 -10.720 -3.380 418 HE2 LYS 50 2HE LYS 50 -3.695 -8.739 -3.642 419 HE3 LYS 50 1HE LYS 50 -3.127 -9.067 -5.280 420 HZ1 LYS 50 3HZ LYS 50 -3.647 -11.387 -3.599 421 HZ2 LYS 50 1HZ LYS 50 -3.960 -11.147 -5.246 422 HZ3 LYS 50 2HZ LYS 50 -5.003 -10.500 -4.084 423 H THR 51 H THR 51 -2.292 -4.129 -4.162 424 HA THR 51 HA THR 51 0.330 -2.891 -3.775 425 HB THR 51 HB THR 51 -1.425 -2.365 -6.178 426 HG1 THR 51 1HG THR 51 -0.301 -3.879 -7.056 427 HG21 THR 51 3HG2 THR 51 -0.372 -0.434 -6.379 428 HG22 THR 51 1HG2 THR 51 1.128 -1.336 -6.604 429 HG23 THR 51 2HG2 THR 51 0.659 -0.789 -4.993 430 H PHE 52 H PHE 52 0.221 -1.148 -2.535 431 HA PHE 52 HA PHE 52 -2.408 -0.034 -1.898 432 HD1 PHE 52 2HD PHE 52 -0.128 -2.386 -0.399 433 HD2 PHE 52 1HD PHE 52 -2.649 0.535 1.401 434 HE1 PHE 52 2HE PHE 52 -1.018 -4.099 1.128 435 HE2 PHE 52 1HE PHE 52 -3.538 -1.174 2.933 436 HZ PHE 52 HZ PHE 52 -2.726 -3.493 2.796 437 HB2 PHE 52 2HB PHE 52 0.292 0.113 -0.571 438 HB3 PHE 52 1HB PHE 52 -1.015 1.209 -0.116 439 H THR 53 H THR 53 -2.824 2.221 -1.990 440 HA THR 53 HA THR 53 -0.862 3.886 -3.368 441 HB THR 53 HB THR 53 -3.689 3.509 -4.366 442 HG1 THR 53 1HG THR 53 -2.867 2.243 -5.837 443 HG21 THR 53 3HG2 THR 53 -1.478 5.168 -5.548 444 HG22 THR 53 1HG2 THR 53 -2.881 5.804 -4.690 445 HG23 THR 53 2HG2 THR 53 -3.096 4.935 -6.210 446 H VAL 54 H VAL 54 -0.640 5.618 -2.124 447 HA VAL 54 HA VAL 54 -3.064 6.909 -1.073 448 HB VAL 54 HB VAL 54 -2.028 5.696 0.782 449 HG11 VAL 54 1HG1 VAL 54 0.261 5.626 -0.039 450 HG12 VAL 54 2HG1 VAL 54 0.204 6.303 1.586 451 HG13 VAL 54 3HG1 VAL 54 0.414 7.366 0.195 452 HG21 VAL 54 3HG2 VAL 54 -1.745 7.598 2.331 453 HG22 VAL 54 1HG2 VAL 54 -3.155 7.779 1.288 454 HG23 VAL 54 2HG2 VAL 54 -1.684 8.690 0.948 455 H THR 55 H THR 55 -2.909 9.193 -0.802 456 HA THR 55 HA THR 55 -0.505 10.474 -1.874 457 HB THR 55 HB THR 55 -1.494 11.464 -3.669 458 HG1 THR 55 1HG THR 55 -3.105 12.688 -3.220 459 HG21 THR 55 3HG2 THR 55 -3.112 10.120 -4.817 460 HG22 THR 55 1HG2 THR 55 -3.544 9.293 -3.319 461 HG23 THR 55 2HG2 THR 55 -1.942 9.067 -4.022 462 H GLU 56 H GLU 56 -0.861 12.984 -1.754 463 HA GLU 56 HA GLU 56 -1.988 13.536 0.906 464 HB2 GLU 56 2HB GLU 56 0.491 13.824 0.602 465 HB3 GLU 56 1HB GLU 56 0.149 15.116 -0.533 466 HG2 GLU 56 2HG GLU 56 -1.317 15.916 1.597 467 HG3 GLU 56 1HG GLU 56 0.015 15.078 2.399 Start of MODEL 3 1 HA THR 1 HA THR 1 5.519 -12.635 -0.968 2 HB THR 1 HB THR 1 4.402 -12.401 -3.772 3 HG1 THR 1 1HG THR 1 4.437 -14.695 -3.652 4 H1 THR 1 1HT THR 1 3.491 -11.242 -0.563 5 H2 THR 1 2HT THR 1 3.274 -12.920 -0.842 6 H3 THR 1 3HT THR 1 2.952 -11.791 -2.094 7 HG21 THR 1 3HG2 THR 1 6.364 -12.992 -4.643 8 HG22 THR 1 1HG2 THR 1 6.718 -14.117 -3.332 9 HG23 THR 1 2HG2 THR 1 7.042 -12.394 -3.130 10 H THR 2 H THR 2 4.335 -10.406 -3.489 11 HA THR 2 HA THR 2 6.335 -8.452 -2.564 12 HB THR 2 HB THR 2 5.358 -8.897 -5.389 13 HG1 THR 2 1HG THR 2 7.465 -9.663 -5.729 14 HG21 THR 2 3HG2 THR 2 7.805 -7.419 -5.154 15 HG22 THR 2 1HG2 THR 2 6.496 -6.602 -4.300 16 HG23 THR 2 2HG2 THR 2 6.317 -7.007 -6.007 17 H TYR 3 H TYR 3 5.433 -6.728 -1.676 18 HA TYR 3 HA TYR 3 2.718 -5.967 -2.477 19 HD1 TYR 3 2HD TYR 3 0.824 -4.658 -0.766 20 HD2 TYR 3 1HD TYR 3 3.192 -7.810 0.826 21 HE1 TYR 3 2HE TYR 3 -1.220 -5.807 -0.023 22 HE2 TYR 3 1HE TYR 3 1.161 -8.971 1.572 23 HH TYR 3 HH TYR 3 -1.734 -8.496 0.470 24 HB2 TYR 3 2HB TYR 3 4.236 -5.861 0.039 25 HB3 TYR 3 1HB TYR 3 3.295 -4.407 -0.301 26 H LYS 4 H LYS 4 2.299 -4.099 -3.497 27 HA LYS 4 HA LYS 4 4.586 -2.344 -4.073 28 HB2 LYS 4 2HB LYS 4 3.504 -3.383 -6.011 29 HB3 LYS 4 1HB LYS 4 1.969 -2.669 -5.546 30 HG2 LYS 4 2HG LYS 4 2.566 -0.577 -6.231 31 HG3 LYS 4 1HG LYS 4 4.288 -0.863 -5.973 32 HD2 LYS 4 2HD LYS 4 4.358 -1.037 -8.216 33 HD3 LYS 4 1HD LYS 4 3.750 -2.668 -7.927 34 HE2 LYS 4 2HE LYS 4 1.520 -2.018 -8.377 35 HE3 LYS 4 1HE LYS 4 1.929 -0.303 -8.314 36 HZ1 LYS 4 3HZ LYS 4 3.317 -1.923 -10.298 37 HZ2 LYS 4 1HZ LYS 4 2.758 -0.329 -10.398 38 HZ3 LYS 4 2HZ LYS 4 1.677 -1.619 -10.575 39 H LEU 5 H LEU 5 4.548 -0.193 -3.667 40 HA LEU 5 HA LEU 5 2.070 1.026 -2.689 41 HG LEU 5 HG LEU 5 3.714 3.334 -1.170 42 HB2 LEU 5 2HB LEU 5 3.195 0.400 -0.665 43 HB3 LEU 5 1HB LEU 5 4.718 1.062 -1.249 44 HD11 LEU 5 1HD1 LEU 5 1.615 3.552 0.205 45 HD12 LEU 5 2HD1 LEU 5 1.379 1.821 -0.029 46 HD13 LEU 5 3HD1 LEU 5 1.401 2.905 -1.421 47 HD21 LEU 5 3HD2 LEU 5 3.622 1.783 1.418 48 HD22 LEU 5 1HD2 LEU 5 3.747 3.536 1.269 49 HD23 LEU 5 2HD2 LEU 5 5.056 2.507 0.688 50 H ILE 6 H ILE 6 1.767 3.081 -3.359 51 HA ILE 6 HA ILE 6 4.043 4.496 -4.562 52 HB ILE 6 HB ILE 6 2.366 5.351 -6.304 53 HG12 ILE 6 2HG1 ILE 6 0.956 2.804 -5.481 54 HG13 ILE 6 1HG1 ILE 6 0.355 4.432 -5.191 55 HG21 ILE 6 1HG2 ILE 6 2.785 2.513 -6.914 56 HG22 ILE 6 2HG2 ILE 6 4.220 3.370 -6.357 57 HG23 ILE 6 3HG2 ILE 6 3.339 3.952 -7.767 58 HD11 ILE 6 3HD1 ILE 6 -0.791 3.575 -7.076 59 HD12 ILE 6 1HD1 ILE 6 0.715 3.053 -7.832 60 HD13 ILE 6 2HD1 ILE 6 0.362 4.772 -7.668 61 H LEU 7 H LEU 7 4.282 6.412 -3.631 62 HA LEU 7 HA LEU 7 1.922 7.692 -2.439 63 HG LEU 7 HG LEU 7 2.703 6.435 -0.581 64 HB2 LEU 7 2HB LEU 7 4.852 7.950 -1.792 65 HB3 LEU 7 1HB LEU 7 3.621 9.030 -1.143 66 HD11 LEU 7 1HD1 LEU 7 5.667 6.682 -0.303 67 HD12 LEU 7 2HD1 LEU 7 4.704 5.315 -0.856 68 HD13 LEU 7 3HD1 LEU 7 4.745 5.724 0.856 69 HD21 LEU 7 3HD2 LEU 7 4.092 7.734 1.614 70 HD22 LEU 7 1HD2 LEU 7 2.375 7.389 1.408 71 HD23 LEU 7 2HD2 LEU 7 3.071 8.851 0.710 72 H ASN 8 H ASN 8 1.266 9.657 -3.098 73 HA ASN 8 HA ASN 8 2.955 11.041 -5.083 74 HB2 ASN 8 2HB ASN 8 -0.055 11.216 -4.996 75 HB3 ASN 8 1HB ASN 8 1.024 11.696 -6.300 76 HD21 ASN 8 1HD2 ASN 8 0.004 8.864 -4.436 77 HD22 ASN 8 2HD2 ASN 8 0.108 7.743 -5.760 78 H LEU 9 H LEU 9 3.890 12.643 -3.949 79 HA LEU 9 HA LEU 9 2.402 14.116 -1.943 80 HG LEU 9 HG LEU 9 4.554 12.697 -0.854 81 HB2 LEU 9 2HB LEU 9 5.230 13.985 -2.833 82 HB3 LEU 9 1HB LEU 9 4.689 15.458 -2.054 83 HD11 LEU 9 1HD1 LEU 9 6.808 13.254 -0.814 84 HD12 LEU 9 2HD1 LEU 9 6.219 13.807 0.755 85 HD13 LEU 9 3HD1 LEU 9 6.476 14.966 -0.553 86 HD21 LEU 9 3HD2 LEU 9 3.248 13.518 0.748 87 HD22 LEU 9 1HD2 LEU 9 3.024 14.946 -0.262 88 HD23 LEU 9 2HD2 LEU 9 4.290 14.924 0.966 89 H LYS 10 H LYS 10 2.966 16.631 -2.043 90 HA LYS 10 HA LYS 10 1.716 17.550 -4.498 91 HB2 LYS 10 2HB LYS 10 1.682 18.369 -1.775 92 HB3 LYS 10 1HB LYS 10 2.307 19.707 -2.721 93 HG2 LYS 10 2HG LYS 10 -0.234 18.255 -3.415 94 HG3 LYS 10 1HG LYS 10 -0.191 19.667 -2.358 95 HD2 LYS 10 2HD LYS 10 1.257 20.549 -4.478 96 HD3 LYS 10 1HD LYS 10 0.111 19.475 -5.277 97 HE2 LYS 10 2HE LYS 10 -0.839 21.472 -3.264 98 HE3 LYS 10 1HE LYS 10 -0.510 21.963 -4.928 99 HZ1 LYS 10 3HZ LYS 10 -2.874 21.150 -4.215 100 HZ2 LYS 10 1HZ LYS 10 -2.201 19.609 -4.455 101 HZ3 LYS 10 2HZ LYS 10 -2.241 20.726 -5.728 102 H GLN 11 H GLN 11 4.822 17.017 -3.575 103 HA GLN 11 HA GLN 11 5.829 19.256 -5.200 104 HB2 GLN 11 2HB GLN 11 7.981 18.971 -3.942 105 HB3 GLN 11 1HB GLN 11 6.630 19.536 -2.963 106 HG2 GLN 11 2HG GLN 11 6.328 17.368 -2.009 107 HG3 GLN 11 1HG GLN 11 7.523 16.672 -3.100 108 HE21 GLN 11 1HE2 GLN 11 6.982 18.401 -0.189 109 HE22 GLN 11 2HE2 GLN 11 8.623 18.487 0.330 110 H ALA 12 H ALA 12 6.229 15.841 -4.372 111 HA ALA 12 HA ALA 12 7.207 15.339 -7.070 112 HB1 ALA 12 1HB ALA 12 9.279 14.612 -6.550 113 HB2 ALA 12 2HB ALA 12 8.773 13.954 -4.990 114 HB3 ALA 12 3HB ALA 12 9.079 15.686 -5.167 115 H LYS 13 H LYS 13 7.400 12.951 -7.484 116 HA LYS 13 HA LYS 13 5.303 11.517 -5.993 117 HB2 LYS 13 2HB LYS 13 5.297 12.159 -8.657 118 HB3 LYS 13 1HB LYS 13 5.951 10.527 -8.685 119 HG2 LYS 13 2HG LYS 13 3.932 9.993 -7.133 120 HG3 LYS 13 1HG LYS 13 3.266 11.478 -7.816 121 HD2 LYS 13 2HD LYS 13 4.235 9.092 -9.389 122 HD3 LYS 13 1HD LYS 13 2.549 9.504 -9.077 123 HE2 LYS 13 2HE LYS 13 2.690 10.532 -11.072 124 HE3 LYS 13 1HE LYS 13 3.431 11.825 -10.127 125 HZ1 LYS 13 3HZ LYS 13 5.143 9.686 -11.179 126 HZ2 LYS 13 1HZ LYS 13 5.508 11.312 -10.885 127 HZ3 LYS 13 2HZ LYS 13 4.596 10.883 -12.241 128 H GLU 14 H GLU 14 6.041 9.901 -4.798 129 HA GLU 14 HA GLU 14 8.488 8.510 -5.654 130 HB2 GLU 14 2HB GLU 14 7.456 8.685 -2.832 131 HB3 GLU 14 1HB GLU 14 9.032 8.114 -3.361 132 HG2 GLU 14 2HG GLU 14 8.052 10.939 -3.659 133 HG3 GLU 14 1HG GLU 14 9.063 10.362 -2.335 134 H GLU 15 H GLU 15 8.512 6.324 -5.777 135 HA GLU 15 HA GLU 15 6.266 4.791 -4.738 136 HB2 GLU 15 2HB GLU 15 6.088 3.627 -7.020 137 HB3 GLU 15 1HB GLU 15 5.345 5.213 -6.854 138 HG2 GLU 15 2HG GLU 15 6.832 6.213 -8.248 139 HG3 GLU 15 1HG GLU 15 8.140 5.108 -7.828 140 H ALA 16 H ALA 16 6.732 2.610 -4.409 141 HA ALA 16 HA ALA 16 9.250 1.515 -5.322 142 HB1 ALA 16 1HB ALA 16 9.667 0.918 -2.755 143 HB2 ALA 16 2HB ALA 16 8.850 2.468 -2.546 144 HB3 ALA 16 3HB ALA 16 10.321 2.369 -3.515 145 H ILE 17 H ILE 17 9.566 -0.732 -4.176 146 HA ILE 17 HA ILE 17 6.957 -2.037 -3.820 147 HB ILE 17 HB ILE 17 9.142 -3.412 -5.351 148 HG12 ILE 17 2HG1 ILE 17 8.644 -1.276 -6.518 149 HG13 ILE 17 1HG1 ILE 17 8.162 -2.688 -7.452 150 HG21 ILE 17 1HG2 ILE 17 7.438 -4.864 -4.590 151 HG22 ILE 17 2HG2 ILE 17 7.133 -4.600 -6.305 152 HG23 ILE 17 3HG2 ILE 17 6.166 -3.755 -5.097 153 HD11 ILE 17 3HD1 ILE 17 5.904 -2.035 -5.992 154 HD12 ILE 17 1HD1 ILE 17 6.194 -1.705 -7.698 155 HD13 ILE 17 2HD1 ILE 17 6.576 -0.481 -6.486 156 H LYS 18 H LYS 18 6.900 -3.625 -2.288 157 HA LYS 18 HA LYS 18 9.454 -4.369 -1.022 158 HB2 LYS 18 2HB LYS 18 6.935 -4.124 0.586 159 HB3 LYS 18 1HB LYS 18 8.605 -4.076 1.131 160 HG2 LYS 18 2HG LYS 18 7.590 -1.905 -0.641 161 HG3 LYS 18 1HG LYS 18 7.157 -1.911 1.068 162 HD2 LYS 18 2HD LYS 18 9.078 -0.784 1.325 163 HD3 LYS 18 1HD LYS 18 9.826 -2.379 1.206 164 HE2 LYS 18 2HE LYS 18 10.685 -1.960 -0.837 165 HE3 LYS 18 1HE LYS 18 9.271 -1.050 -1.359 166 HZ1 LYS 18 3HZ LYS 18 10.932 0.200 0.676 167 HZ2 LYS 18 1HZ LYS 18 10.144 0.889 -0.653 168 HZ3 LYS 18 2HZ LYS 18 11.612 0.077 -0.868 169 H GLU 19 H GLU 19 9.066 -6.314 0.515 170 HA GLU 19 HA GLU 19 7.384 -8.273 -0.908 171 HB2 GLU 19 2HB GLU 19 10.149 -8.323 -0.426 172 HB3 GLU 19 1HB GLU 19 9.462 -9.485 0.698 173 HG2 GLU 19 2HG GLU 19 8.717 -10.866 -0.965 174 HG3 GLU 19 1HG GLU 19 8.589 -9.558 -2.143 175 H LEU 20 H LEU 20 6.232 -9.802 0.325 176 HA LEU 20 HA LEU 20 6.359 -9.916 3.158 177 HG LEU 20 HG LEU 20 5.721 -8.628 4.671 178 HB2 LEU 20 2HB LEU 20 4.941 -7.736 2.153 179 HB3 LEU 20 1HB LEU 20 3.704 -8.902 2.597 180 HD11 LEU 20 1HD1 LEU 20 4.495 -6.179 3.533 181 HD12 LEU 20 2HD1 LEU 20 6.064 -6.408 4.307 182 HD13 LEU 20 3HD1 LEU 20 4.600 -6.316 5.287 183 HD21 LEU 20 3HD2 LEU 20 3.169 -7.785 5.516 184 HD22 LEU 20 1HD2 LEU 20 3.945 -9.343 5.786 185 HD23 LEU 20 2HD2 LEU 20 2.926 -9.097 4.372 186 H VAL 21 H VAL 21 3.863 -10.773 3.847 187 HA VAL 21 HA VAL 21 3.347 -12.982 1.959 188 HB VAL 21 HB VAL 21 3.191 -13.204 4.965 189 HG11 VAL 21 1HG1 VAL 21 2.769 -15.492 4.651 190 HG12 VAL 21 2HG1 VAL 21 3.227 -15.430 2.949 191 HG13 VAL 21 3HG1 VAL 21 1.727 -14.672 3.488 192 HG21 VAL 21 3HG2 VAL 21 5.510 -13.009 3.559 193 HG22 VAL 21 1HG2 VAL 21 5.231 -14.749 3.527 194 HG23 VAL 21 2HG2 VAL 21 5.326 -13.899 5.069 195 H ASP 22 H ASP 22 1.994 -10.796 4.374 196 HA ASP 22 HA ASP 22 -0.654 -11.257 3.195 197 HB2 ASP 22 2HB ASP 22 -0.404 -12.471 5.394 198 HB3 ASP 22 1HB ASP 22 -0.201 -10.895 6.163 199 H ALA 23 H ALA 23 -2.194 -9.461 3.703 200 HA ALA 23 HA ALA 23 -0.874 -6.951 3.249 201 HB1 ALA 23 1HB ALA 23 -2.868 -6.168 2.530 202 HB2 ALA 23 2HB ALA 23 -3.779 -6.990 3.799 203 HB3 ALA 23 3HB ALA 23 -3.216 -7.891 2.391 204 H ALA 24 H ALA 24 -2.462 -8.521 5.950 205 HA ALA 24 HA ALA 24 -2.934 -6.371 7.626 206 HB1 ALA 24 1HB ALA 24 -2.842 -7.898 9.454 207 HB2 ALA 24 2HB ALA 24 -1.808 -9.009 8.553 208 HB3 ALA 24 3HB ALA 24 -3.491 -8.783 8.074 209 H THR 25 H THR 25 0.036 -8.297 7.316 210 HA THR 25 HA THR 25 1.555 -6.614 9.032 211 HB THR 25 HB THR 25 2.281 -8.781 7.063 212 HG1 THR 25 1HG THR 25 2.868 -9.851 8.950 213 HG21 THR 25 3HG2 THR 25 4.577 -8.677 7.697 214 HG22 THR 25 1HG2 THR 25 4.266 -7.342 8.803 215 HG23 THR 25 2HG2 THR 25 4.109 -7.096 7.062 216 H ALA 26 H ALA 26 1.185 -6.892 5.517 217 HA ALA 26 HA ALA 26 3.126 -5.091 4.724 218 HB1 ALA 26 1HB ALA 26 1.818 -6.429 3.136 219 HB2 ALA 26 2HB ALA 26 1.767 -4.717 2.710 220 HB3 ALA 26 3HB ALA 26 0.380 -5.471 3.504 221 H GLU 27 H GLU 27 -0.257 -4.481 5.523 222 HA GLU 27 HA GLU 27 -0.363 -1.743 5.255 223 HB2 GLU 27 2HB GLU 27 -2.316 -3.163 5.719 224 HB3 GLU 27 1HB GLU 27 -1.706 -3.481 7.339 225 HG2 GLU 27 2HG GLU 27 -1.773 -0.765 7.316 226 HG3 GLU 27 1HG GLU 27 -3.143 -1.157 6.278 227 H LYS 28 H LYS 28 0.954 -3.695 7.861 228 HA LYS 28 HA LYS 28 1.307 -1.527 9.686 229 HB2 LYS 28 2HB LYS 28 1.308 -4.128 10.088 230 HB3 LYS 28 1HB LYS 28 3.027 -3.976 9.757 231 HG2 LYS 28 2HG LYS 28 3.203 -2.314 11.567 232 HG3 LYS 28 1HG LYS 28 1.491 -2.557 11.922 233 HD2 LYS 28 2HD LYS 28 3.438 -4.844 11.901 234 HD3 LYS 28 1HD LYS 28 3.199 -3.845 13.335 235 HE2 LYS 28 2HE LYS 28 0.630 -4.432 12.583 236 HE3 LYS 28 1HE LYS 28 1.493 -5.914 12.176 237 HZ1 LYS 28 3HZ LYS 28 0.929 -4.752 14.775 238 HZ2 LYS 28 1HZ LYS 28 2.474 -5.417 14.597 239 HZ3 LYS 28 2HZ LYS 28 1.107 -6.374 14.328 240 H TYR 29 H TYR 29 3.441 -3.234 7.438 241 HA TYR 29 HA TYR 29 5.704 -1.570 7.984 242 HD1 TYR 29 1HD TYR 29 6.179 -1.717 4.216 243 HD2 TYR 29 2HD TYR 29 8.337 -3.664 7.320 244 HE1 TYR 29 1HE TYR 29 8.289 -1.088 3.132 245 HE2 TYR 29 2HE TYR 29 10.458 -3.042 6.243 246 HH TYR 29 HH TYR 29 11.328 -1.426 4.685 247 HB2 TYR 29 2HB TYR 29 6.015 -3.872 7.247 248 HB3 TYR 29 1HB TYR 29 5.156 -3.529 5.746 249 H PHE 30 H PHE 30 3.711 -2.010 5.065 250 HA PHE 30 HA PHE 30 4.749 0.033 3.555 251 HD1 PHE 30 1HD PHE 30 5.251 -0.095 2.025 252 HD2 PHE 30 2HD PHE 30 1.620 -2.108 1.067 253 HE1 PHE 30 1HE PHE 30 6.141 -0.631 -0.194 254 HE2 PHE 30 2HE PHE 30 2.510 -2.642 -1.157 255 HZ PHE 30 HZ PHE 30 4.771 -1.908 -1.793 256 HB2 PHE 30 2HB PHE 30 2.418 -1.662 3.485 257 HB3 PHE 30 1HB PHE 30 1.994 -0.042 2.946 258 H LYS 31 H LYS 31 2.152 0.240 5.958 259 HA LYS 31 HA LYS 31 1.571 2.974 5.430 260 HB2 LYS 31 2HB LYS 31 0.042 1.348 6.598 261 HB3 LYS 31 1HB LYS 31 1.076 1.504 8.018 262 HG2 LYS 31 2HG LYS 31 0.581 4.098 7.509 263 HG3 LYS 31 1HG LYS 31 -0.906 3.368 6.897 264 HD2 LYS 31 2HD LYS 31 0.021 2.365 9.504 265 HD3 LYS 31 1HD LYS 31 -0.498 4.051 9.483 266 HE2 LYS 31 2HE LYS 31 -2.469 2.823 8.039 267 HE3 LYS 31 1HE LYS 31 -2.066 1.592 9.234 268 HZ1 LYS 31 3HZ LYS 31 -2.551 3.068 10.991 269 HZ2 LYS 31 1HZ LYS 31 -3.838 3.205 9.901 270 HZ3 LYS 31 2HZ LYS 31 -2.650 4.406 9.959 271 H LEU 32 H LEU 32 3.810 1.312 7.557 272 HA LEU 32 HA LEU 32 4.541 3.574 9.106 273 HG LEU 32 HG LEU 32 5.187 2.878 10.980 274 HB2 LEU 32 2HB LEU 32 5.282 0.811 8.920 275 HB3 LEU 32 1HB LEU 32 6.732 1.791 8.967 276 HD11 LEU 32 1HD1 LEU 32 4.579 0.881 12.349 277 HD12 LEU 32 2HD1 LEU 32 4.813 -0.104 10.905 278 HD13 LEU 32 3HD1 LEU 32 3.564 1.141 10.930 279 HD21 LEU 32 3HD2 LEU 32 7.061 0.665 11.633 280 HD22 LEU 32 1HD2 LEU 32 6.936 2.282 12.324 281 HD23 LEU 32 2HD2 LEU 32 7.687 2.057 10.746 282 H TYR 33 H TYR 33 5.446 2.413 5.969 283 HA TYR 33 HA TYR 33 7.859 3.970 5.778 284 HD1 TYR 33 2HD TYR 33 5.999 4.247 2.174 285 HD2 TYR 33 1HD TYR 33 9.782 2.693 3.354 286 HE1 TYR 33 2HE TYR 33 7.029 5.252 0.182 287 HE2 TYR 33 1HE TYR 33 10.821 3.697 1.363 288 HH TYR 33 HH TYR 33 9.197 5.972 -0.610 289 HB2 TYR 33 2HB TYR 33 7.848 1.993 4.481 290 HB3 TYR 33 1HB TYR 33 6.243 2.330 3.829 291 H ALA 34 H ALA 34 4.680 4.110 4.171 292 HA ALA 34 HA ALA 34 5.055 6.503 2.813 293 HB1 ALA 34 1HB ALA 34 2.731 4.895 3.648 294 HB2 ALA 34 2HB ALA 34 3.171 5.521 2.058 295 HB3 ALA 34 3HB ALA 34 2.407 6.580 3.243 296 H ASN 35 H ASN 35 4.351 5.942 6.173 297 HA ASN 35 HA ASN 35 3.565 8.687 6.661 298 HB2 ASN 35 2HB ASN 35 2.626 6.667 7.893 299 HB3 ASN 35 1HB ASN 35 4.170 6.588 8.739 300 HD21 ASN 35 1HD2 ASN 35 4.829 8.496 9.943 301 HD22 ASN 35 2HD2 ASN 35 3.614 9.478 10.684 302 H ALA 36 H ALA 36 6.313 6.579 7.433 303 HA ALA 36 HA ALA 36 7.760 8.641 8.791 304 HB1 ALA 36 1HB ALA 36 8.265 6.479 9.515 305 HB2 ALA 36 2HB ALA 36 9.670 6.948 8.557 306 HB3 ALA 36 3HB ALA 36 8.453 5.873 7.869 307 H LYS 37 H LYS 37 7.544 7.538 5.500 308 HA LYS 37 HA LYS 37 9.980 8.811 4.651 309 HB2 LYS 37 2HB LYS 37 7.684 7.696 3.034 310 HB3 LYS 37 1HB LYS 37 9.227 8.225 2.375 311 HG2 LYS 37 2HG LYS 37 9.188 6.141 4.504 312 HG3 LYS 37 1HG LYS 37 8.778 5.701 2.846 313 HD2 LYS 37 2HD LYS 37 11.322 7.063 3.720 314 HD3 LYS 37 1HD LYS 37 11.159 5.352 3.324 315 HE2 LYS 37 2HE LYS 37 11.554 5.833 1.195 316 HE3 LYS 37 1HE LYS 37 10.080 6.797 1.158 317 HZ1 LYS 37 3HZ LYS 37 12.856 7.678 1.573 318 HZ2 LYS 37 1HZ LYS 37 11.581 8.603 2.188 319 HZ3 LYS 37 2HZ LYS 37 11.682 8.301 0.527 320 H THR 38 H THR 38 6.681 9.350 3.419 321 HA THR 38 HA THR 38 7.347 12.201 3.184 322 HB THR 38 HB THR 38 5.372 12.237 1.596 323 HG1 THR 38 1HG THR 38 5.674 9.423 1.695 324 HG21 THR 38 3HG2 THR 38 6.532 11.203 -0.270 325 HG22 THR 38 1HG2 THR 38 7.633 10.399 0.848 326 HG23 THR 38 2HG2 THR 38 7.633 12.154 0.720 327 H VAL 39 H VAL 39 4.123 10.750 3.249 328 HA VAL 39 HA VAL 39 3.536 11.649 5.912 329 HB VAL 39 HB VAL 39 1.633 13.159 5.071 330 HG11 VAL 39 1HG1 VAL 39 4.360 14.321 4.617 331 HG12 VAL 39 2HG1 VAL 39 3.836 13.808 6.220 332 HG13 VAL 39 3HG1 VAL 39 2.946 15.067 5.362 333 HG21 VAL 39 3HG2 VAL 39 3.377 13.755 2.738 334 HG22 VAL 39 1HG2 VAL 39 1.645 14.004 2.947 335 HG23 VAL 39 2HG2 VAL 39 2.273 12.387 2.628 336 H GLU 40 H GLU 40 1.025 11.546 6.230 337 HA GLU 40 HA GLU 40 0.073 9.141 4.816 338 HB2 GLU 40 2HB GLU 40 0.633 9.050 7.345 339 HB3 GLU 40 1HB GLU 40 -0.865 9.946 7.555 340 HG2 GLU 40 2HG GLU 40 -2.130 8.176 6.545 341 HG3 GLU 40 1HG GLU 40 -0.655 7.303 6.136 342 H GLY 41 H GLY 41 -1.343 9.796 3.320 343 HA2 GLY 41 2HA GLY 41 -3.453 11.675 4.177 344 HA3 GLY 41 1HA GLY 41 -2.779 11.679 2.551 345 H VAL 42 H VAL 42 -4.432 11.061 1.272 346 HA VAL 42 HA VAL 42 -6.481 9.276 2.015 347 HB VAL 42 HB VAL 42 -6.993 9.121 -0.405 348 HG11 VAL 42 1HG1 VAL 42 -6.506 11.805 0.841 349 HG12 VAL 42 2HG1 VAL 42 -8.026 10.935 0.637 350 HG13 VAL 42 3HG1 VAL 42 -7.223 11.651 -0.763 351 HG21 VAL 42 3HG2 VAL 42 -4.294 10.352 -0.604 352 HG22 VAL 42 1HG2 VAL 42 -5.521 10.833 -1.782 353 HG23 VAL 42 2HG2 VAL 42 -5.060 9.132 -1.621 354 H TRP 43 H TRP 43 -6.895 7.140 1.129 355 HA TRP 43 HA TRP 43 -4.453 5.644 0.503 356 HD1 TRP 43 HD TRP 43 -4.907 6.901 4.174 357 HE1 TRP 43 1HE TRP 43 -2.568 6.677 5.227 358 HE3 TRP 43 3HE TRP 43 -3.290 2.779 1.646 359 HZ2 TRP 43 2HZ TRP 43 -0.327 4.970 5.007 360 HZ3 TRP 43 3HZ TRP 43 -1.033 1.906 2.120 361 HH2 TRP 43 HH TRP 43 0.414 2.980 3.768 362 HB2 TRP 43 2HB TRP 43 -6.385 5.219 2.735 363 HB3 TRP 43 1HB TRP 43 -5.585 3.820 2.023 364 H THR 44 H THR 44 -4.735 3.716 -0.642 365 HA THR 44 HA THR 44 -7.355 2.884 -1.513 366 HB THR 44 HB THR 44 -5.597 3.442 -3.820 367 HG1 THR 44 1HG THR 44 -6.948 5.560 -2.508 368 HG21 THR 44 3HG2 THR 44 -7.493 3.422 -4.975 369 HG22 THR 44 1HG2 THR 44 -8.298 4.511 -3.846 370 HG23 THR 44 2HG2 THR 44 -8.233 2.779 -3.508 371 H TYR 45 H TYR 45 -7.351 0.787 -2.332 372 HA TYR 45 HA TYR 45 -4.719 -0.538 -2.408 373 HD1 TYR 45 2HD TYR 45 -3.615 -2.131 -0.729 374 HD2 TYR 45 1HD TYR 45 -7.283 -3.987 -1.826 375 HE1 TYR 45 2HE TYR 45 -2.495 -4.320 -0.747 376 HE2 TYR 45 1HE TYR 45 -6.174 -6.180 -1.846 377 HH TYR 45 HH TYR 45 -3.423 -6.862 -0.406 378 HB2 TYR 45 2HB TYR 45 -5.972 -1.069 -0.333 379 HB3 TYR 45 1HB TYR 45 -7.278 -1.723 -1.315 380 H LYS 46 H LYS 46 -4.468 -2.270 -3.835 381 HA LYS 46 HA LYS 46 -6.551 -2.474 -5.909 382 HB2 LYS 46 2HB LYS 46 -3.617 -2.931 -6.402 383 HB3 LYS 46 1HB LYS 46 -4.889 -2.668 -7.578 384 HG2 LYS 46 2HG LYS 46 -4.618 -0.444 -5.736 385 HG3 LYS 46 1HG LYS 46 -3.133 -0.779 -6.630 386 HD2 LYS 46 2HD LYS 46 -5.026 -0.967 -8.582 387 HD3 LYS 46 1HD LYS 46 -5.691 0.305 -7.560 388 HE2 LYS 46 2HE LYS 46 -4.090 1.770 -8.134 389 HE3 LYS 46 1HE LYS 46 -2.818 0.550 -8.091 390 HZ1 LYS 46 3HZ LYS 46 -3.151 1.431 -10.320 391 HZ2 LYS 46 1HZ LYS 46 -4.764 0.928 -10.296 392 HZ3 LYS 46 2HZ LYS 46 -3.520 -0.218 -10.261 393 H ASP 47 H ASP 47 -7.357 -4.441 -6.254 394 HA ASP 47 HA ASP 47 -6.141 -6.711 -4.887 395 HB2 ASP 47 2HB ASP 47 -8.808 -6.630 -6.302 396 HB3 ASP 47 1HB ASP 47 -8.249 -7.825 -5.127 397 H GLU 48 H GLU 48 -5.060 -5.575 -7.405 398 HA GLU 48 HA GLU 48 -5.578 -7.712 -9.327 399 HB2 GLU 48 2HB GLU 48 -5.194 -5.048 -9.696 400 HB3 GLU 48 1HB GLU 48 -3.562 -5.650 -9.963 401 HG2 GLU 48 2HG GLU 48 -5.622 -7.186 -11.338 402 HG3 GLU 48 1HG GLU 48 -5.535 -5.499 -11.846 403 H THR 49 H THR 49 -3.111 -6.521 -7.173 404 HA THR 49 HA THR 49 -1.706 -8.993 -7.218 405 HB THR 49 HB THR 49 -0.858 -8.059 -9.330 406 HG1 THR 49 1HG THR 49 0.519 -9.257 -7.811 407 HG21 THR 49 3HG2 THR 49 0.311 -5.837 -7.683 408 HG22 THR 49 1HG2 THR 49 -1.064 -5.663 -8.770 409 HG23 THR 49 2HG2 THR 49 0.521 -6.102 -9.406 410 H LYS 50 H LYS 50 -2.920 -7.188 -5.320 411 HA LYS 50 HA LYS 50 -2.556 -6.348 -3.239 412 HB2 LYS 50 2HB LYS 50 -0.114 -8.053 -3.639 413 HB3 LYS 50 1HB LYS 50 -0.300 -7.085 -2.181 414 HG2 LYS 50 2HG LYS 50 -2.181 -8.288 -1.483 415 HG3 LYS 50 1HG LYS 50 -2.428 -8.998 -3.081 416 HD2 LYS 50 2HD LYS 50 0.178 -9.573 -1.834 417 HD3 LYS 50 1HD LYS 50 -1.221 -10.270 -1.016 418 HE2 LYS 50 2HE LYS 50 -1.736 -11.638 -2.770 419 HE3 LYS 50 1HE LYS 50 -1.068 -10.531 -3.969 420 HZ1 LYS 50 3HZ LYS 50 0.266 -12.604 -2.405 421 HZ2 LYS 50 1HZ LYS 50 1.152 -11.199 -2.738 422 HZ3 LYS 50 2HZ LYS 50 0.525 -12.123 -4.007 423 H THR 51 H THR 51 -2.520 -4.202 -4.144 424 HA THR 51 HA THR 51 0.122 -2.950 -3.848 425 HB THR 51 HB THR 51 -1.847 -2.213 -6.017 426 HG1 THR 51 1HG THR 51 -0.770 -4.284 -6.293 427 HG21 THR 51 3HG2 THR 51 -0.622 -0.413 -6.356 428 HG22 THR 51 1HG2 THR 51 0.802 -1.423 -6.597 429 HG23 THR 51 2HG2 THR 51 0.399 -0.841 -4.983 430 H PHE 52 H PHE 52 0.144 -0.956 -2.903 431 HA PHE 52 HA PHE 52 -2.441 0.035 -1.887 432 HD1 PHE 52 1HD PHE 52 -0.124 -2.447 -0.364 433 HD2 PHE 52 2HD PHE 52 -2.710 0.524 1.247 434 HE1 PHE 52 1HE PHE 52 -1.104 -4.125 1.145 435 HE2 PHE 52 2HE PHE 52 -3.698 -1.147 2.759 436 HZ PHE 52 HZ PHE 52 -2.892 -3.475 2.709 437 HB2 PHE 52 2HB PHE 52 0.307 -0.044 -0.670 438 HB3 PHE 52 1HB PHE 52 -0.875 1.147 -0.126 439 H THR 53 H THR 53 -2.754 2.315 -1.769 440 HA THR 53 HA THR 53 -0.830 3.988 -3.199 441 HB THR 53 HB THR 53 -3.736 4.152 -3.934 442 HG1 THR 53 1HG THR 53 -3.297 2.121 -4.570 443 HG21 THR 53 3HG2 THR 53 -2.996 5.865 -5.123 444 HG22 THR 53 1HG2 THR 53 -2.158 4.688 -6.137 445 HG23 THR 53 2HG2 THR 53 -1.312 5.454 -4.791 446 H VAL 54 H VAL 54 -0.458 5.724 -2.004 447 HA VAL 54 HA VAL 54 -2.692 7.005 -0.604 448 HB VAL 54 HB VAL 54 -1.652 5.689 1.123 449 HG11 VAL 54 1HG1 VAL 54 0.771 6.058 1.682 450 HG12 VAL 54 2HG1 VAL 54 0.924 6.882 0.132 451 HG13 VAL 54 3HG1 VAL 54 0.464 5.182 0.184 452 HG21 VAL 54 3HG2 VAL 54 -0.337 8.021 2.096 453 HG22 VAL 54 1HG2 VAL 54 -1.926 7.391 2.526 454 HG23 VAL 54 2HG2 VAL 54 -1.760 8.525 1.188 455 H THR 55 H THR 55 -2.642 9.204 -0.672 456 HA THR 55 HA THR 55 -0.153 10.521 -1.451 457 HB THR 55 HB THR 55 -1.067 10.347 -3.581 458 HG1 THR 55 1HG THR 55 -2.237 12.753 -2.680 459 HG21 THR 55 3HG2 THR 55 -3.326 9.546 -2.673 460 HG22 THR 55 1HG2 THR 55 -3.283 10.405 -4.214 461 HG23 THR 55 2HG2 THR 55 -3.779 11.243 -2.748 462 H GLU 56 H GLU 56 -0.385 12.954 -1.332 463 HA GLU 56 HA GLU 56 -2.484 14.054 0.250 464 HB2 GLU 56 2HB GLU 56 -1.205 12.803 1.978 465 HB3 GLU 56 1HB GLU 56 0.209 13.766 1.583 466 HG2 GLU 56 2HG GLU 56 -0.964 14.546 3.595 467 HG3 GLU 56 1HG GLU 56 -0.869 15.770 2.329 Start of MODEL 4 1 HA THR 1 HA THR 1 5.647 -12.621 -0.771 2 HB THR 1 HB THR 1 5.015 -12.585 -3.731 3 HG1 THR 1 1HG THR 1 5.064 -14.859 -3.480 4 H1 THR 1 1HT THR 1 3.348 -11.428 -2.142 5 H2 THR 1 2HT THR 1 3.569 -11.732 -0.469 6 H3 THR 1 3HT THR 1 3.341 -13.038 -1.557 7 HG21 THR 1 3HG2 THR 1 7.064 -13.716 -4.114 8 HG22 THR 1 1HG2 THR 1 7.395 -13.829 -2.386 9 HG23 THR 1 2HG2 THR 1 7.428 -12.260 -3.186 10 H THR 2 H THR 2 4.665 -10.480 -3.456 11 HA THR 2 HA THR 2 6.589 -8.496 -2.438 12 HB THR 2 HB THR 2 7.249 -9.527 -4.609 13 HG1 THR 2 1HG THR 2 6.598 -6.778 -4.545 14 HG21 THR 2 3HG2 THR 2 4.913 -9.794 -5.490 15 HG22 THR 2 1HG2 THR 2 6.087 -9.119 -6.619 16 HG23 THR 2 2HG2 THR 2 4.926 -8.061 -5.817 17 H TYR 3 H TYR 3 5.620 -6.769 -1.622 18 HA TYR 3 HA TYR 3 2.938 -6.062 -2.567 19 HD1 TYR 3 2HD TYR 3 1.012 -4.490 -0.715 20 HD2 TYR 3 1HD TYR 3 3.173 -7.934 0.525 21 HE1 TYR 3 2HE TYR 3 -1.094 -5.559 -0.031 22 HE2 TYR 3 1HE TYR 3 1.078 -9.013 1.212 23 HH TYR 3 HH TYR 3 -1.321 -8.863 0.699 24 HB2 TYR 3 2HB TYR 3 4.331 -5.905 0.008 25 HB3 TYR 3 1HB TYR 3 3.450 -4.432 -0.404 26 H LYS 4 H LYS 4 2.448 -4.045 -3.371 27 HA LYS 4 HA LYS 4 4.760 -2.303 -3.934 28 HB2 LYS 4 2HB LYS 4 3.260 -3.621 -5.779 29 HB3 LYS 4 1HB LYS 4 2.413 -2.084 -5.701 30 HG2 LYS 4 2HG LYS 4 5.268 -1.695 -5.849 31 HG3 LYS 4 1HG LYS 4 4.681 -2.679 -7.189 32 HD2 LYS 4 2HD LYS 4 2.810 -0.641 -6.976 33 HD3 LYS 4 1HD LYS 4 4.354 0.163 -6.682 34 HE2 LYS 4 2HE LYS 4 4.363 -1.736 -8.920 35 HE3 LYS 4 1HE LYS 4 3.300 -0.347 -9.141 36 HZ1 LYS 4 3HZ LYS 4 5.457 0.885 -8.259 37 HZ2 LYS 4 1HZ LYS 4 5.210 0.554 -9.900 38 HZ3 LYS 4 2HZ LYS 4 6.206 -0.452 -8.974 39 H LEU 5 H LEU 5 4.654 -0.221 -3.376 40 HA LEU 5 HA LEU 5 2.043 0.935 -2.692 41 HG LEU 5 HG LEU 5 3.296 3.262 -1.085 42 HB2 LEU 5 2HB LEU 5 2.992 0.307 -0.578 43 HB3 LEU 5 1HB LEU 5 4.537 1.034 -1.002 44 HD11 LEU 5 1HD1 LEU 5 1.035 2.441 -1.206 45 HD12 LEU 5 2HD1 LEU 5 1.246 3.357 0.287 46 HD13 LEU 5 3HD1 LEU 5 1.223 1.595 0.330 47 HD21 LEU 5 3HD2 LEU 5 3.155 2.194 1.680 48 HD22 LEU 5 1HD2 LEU 5 3.893 3.674 1.074 49 HD23 LEU 5 2HD2 LEU 5 4.711 2.130 0.851 50 H ILE 6 H ILE 6 1.728 2.945 -3.434 51 HA ILE 6 HA ILE 6 4.063 4.452 -4.398 52 HB ILE 6 HB ILE 6 2.598 5.294 -6.271 53 HG12 ILE 6 2HG1 ILE 6 0.907 2.920 -5.452 54 HG13 ILE 6 1HG1 ILE 6 0.434 4.612 -5.329 55 HG21 ILE 6 1HG2 ILE 6 2.774 2.448 -6.870 56 HG22 ILE 6 2HG2 ILE 6 4.232 3.092 -6.116 57 HG23 ILE 6 3HG2 ILE 6 3.612 3.816 -7.601 58 HD11 ILE 6 3HD1 ILE 6 0.064 2.850 -7.489 59 HD12 ILE 6 1HD1 ILE 6 1.233 4.064 -8.008 60 HD13 ILE 6 2HD1 ILE 6 -0.345 4.562 -7.395 61 H LEU 7 H LEU 7 4.186 6.403 -3.518 62 HA LEU 7 HA LEU 7 1.745 7.580 -2.390 63 HG LEU 7 HG LEU 7 2.577 6.273 -0.559 64 HB2 LEU 7 2HB LEU 7 4.640 7.972 -1.650 65 HB3 LEU 7 1HB LEU 7 3.326 8.951 -1.002 66 HD11 LEU 7 1HD1 LEU 7 4.651 5.301 -0.756 67 HD12 LEU 7 2HD1 LEU 7 4.627 5.717 0.960 68 HD13 LEU 7 3HD1 LEU 7 5.498 6.739 -0.183 69 HD21 LEU 7 3HD2 LEU 7 2.157 7.077 1.488 70 HD22 LEU 7 1HD2 LEU 7 2.605 8.636 0.800 71 HD23 LEU 7 2HD2 LEU 7 3.795 7.690 1.694 72 H ASN 8 H ASN 8 0.922 9.299 -3.366 73 HA ASN 8 HA ASN 8 2.618 10.770 -5.258 74 HB2 ASN 8 2HB ASN 8 -0.048 9.794 -5.402 75 HB3 ASN 8 1HB ASN 8 -0.128 11.554 -5.442 76 HD21 ASN 8 1HD2 ASN 8 1.172 8.707 -7.000 77 HD22 ASN 8 2HD2 ASN 8 1.493 9.460 -8.533 78 H LEU 9 H LEU 9 3.584 12.429 -4.266 79 HA LEU 9 HA LEU 9 2.131 13.985 -2.271 80 HG LEU 9 HG LEU 9 4.600 12.196 -1.648 81 HB2 LEU 9 2HB LEU 9 5.001 14.008 -3.189 82 HB3 LEU 9 1HB LEU 9 4.354 15.173 -2.052 83 HD11 LEU 9 1HD1 LEU 9 6.684 12.997 -1.173 84 HD12 LEU 9 2HD1 LEU 9 5.906 13.223 0.395 85 HD13 LEU 9 3HD1 LEU 9 6.088 14.588 -0.703 86 HD21 LEU 9 3HD2 LEU 9 3.732 12.675 0.633 87 HD22 LEU 9 1HD2 LEU 9 2.537 12.891 -0.643 88 HD23 LEU 9 2HD2 LEU 9 3.313 14.298 0.086 89 H LYS 10 H LYS 10 2.490 16.426 -2.390 90 HA LYS 10 HA LYS 10 1.596 17.300 -5.012 91 HB2 LYS 10 2HB LYS 10 0.433 18.012 -2.920 92 HB3 LYS 10 1HB LYS 10 1.881 18.894 -2.460 93 HG2 LYS 10 2HG LYS 10 0.854 20.624 -3.443 94 HG3 LYS 10 1HG LYS 10 1.459 19.895 -4.936 95 HD2 LYS 10 2HD LYS 10 -0.897 18.530 -4.442 96 HD3 LYS 10 1HD LYS 10 -1.274 20.181 -3.975 97 HE2 LYS 10 2HE LYS 10 0.214 19.919 -6.497 98 HE3 LYS 10 1HE LYS 10 -1.400 19.206 -6.513 99 HZ1 LYS 10 3HZ LYS 10 -0.930 21.767 -7.021 100 HZ2 LYS 10 1HZ LYS 10 -1.189 21.866 -5.352 101 HZ3 LYS 10 2HZ LYS 10 -2.383 21.220 -6.360 102 H GLN 11 H GLN 11 4.086 16.572 -5.404 103 HA GLN 11 HA GLN 11 5.385 18.888 -6.318 104 HB2 GLN 11 2HB GLN 11 7.436 18.691 -4.844 105 HB3 GLN 11 1HB GLN 11 6.012 19.391 -4.088 106 HG2 GLN 11 2HG GLN 11 5.530 17.278 -2.996 107 HG3 GLN 11 1HG GLN 11 6.918 16.535 -3.791 108 HE21 GLN 11 1HE2 GLN 11 6.159 19.380 -1.808 109 HE22 GLN 11 2HE2 GLN 11 7.561 19.269 -0.806 110 H ALA 12 H ALA 12 5.798 15.556 -5.214 111 HA ALA 12 HA ALA 12 6.950 14.851 -7.783 112 HB1 ALA 12 1HB ALA 12 8.744 15.556 -5.901 113 HB2 ALA 12 2HB ALA 12 9.058 14.348 -7.149 114 HB3 ALA 12 3HB ALA 12 8.563 13.835 -5.530 115 H LYS 13 H LYS 13 7.075 12.530 -8.102 116 HA LYS 13 HA LYS 13 5.118 11.111 -6.439 117 HB2 LYS 13 2HB LYS 13 6.092 10.290 -9.173 118 HB3 LYS 13 1HB LYS 13 4.679 9.704 -8.319 119 HG2 LYS 13 2HG LYS 13 3.481 11.666 -8.699 120 HG3 LYS 13 1HG LYS 13 4.936 12.584 -9.094 121 HD2 LYS 13 2HD LYS 13 4.307 12.223 -11.224 122 HD3 LYS 13 1HD LYS 13 5.014 10.628 -10.982 123 HE2 LYS 13 2HE LYS 13 2.982 9.607 -10.851 124 HE3 LYS 13 1HE LYS 13 2.195 11.022 -10.152 125 HZ1 LYS 13 3HZ LYS 13 3.012 10.760 -12.994 126 HZ2 LYS 13 1HZ LYS 13 2.179 12.059 -12.306 127 HZ3 LYS 13 2HZ LYS 13 1.438 10.551 -12.410 128 H GLU 14 H GLU 14 5.883 9.701 -5.022 129 HA GLU 14 HA GLU 14 8.442 8.365 -5.603 130 HB2 GLU 14 2HB GLU 14 8.151 9.999 -3.563 131 HB3 GLU 14 1HB GLU 14 7.366 8.614 -2.821 132 HG2 GLU 14 2HG GLU 14 9.747 8.797 -2.245 133 HG3 GLU 14 1HG GLU 14 9.353 7.289 -3.065 134 H GLU 15 H GLU 15 8.246 6.290 -6.070 135 HA GLU 15 HA GLU 15 6.166 4.725 -4.700 136 HB2 GLU 15 2HB GLU 15 6.044 3.384 -6.890 137 HB3 GLU 15 1HB GLU 15 5.241 4.948 -6.838 138 HG2 GLU 15 2HG GLU 15 6.975 5.976 -8.090 139 HG3 GLU 15 1HG GLU 15 8.009 4.556 -7.940 140 H ALA 16 H ALA 16 6.661 2.535 -4.314 141 HA ALA 16 HA ALA 16 9.257 1.502 -5.060 142 HB1 ALA 16 1HB ALA 16 10.292 1.483 -3.022 143 HB2 ALA 16 2HB ALA 16 8.774 1.511 -2.125 144 HB3 ALA 16 3HB ALA 16 9.380 2.986 -2.881 145 H ILE 17 H ILE 17 9.588 -0.731 -4.110 146 HA ILE 17 HA ILE 17 7.013 -2.090 -3.678 147 HB ILE 17 HB ILE 17 7.735 -2.443 -6.004 148 HG12 ILE 17 2HG1 ILE 17 8.140 -5.121 -5.508 149 HG13 ILE 17 1HG1 ILE 17 7.366 -4.576 -4.024 150 HG21 ILE 17 1HG2 ILE 17 10.000 -4.168 -5.275 151 HG22 ILE 17 2HG2 ILE 17 10.269 -2.440 -5.052 152 HG23 ILE 17 3HG2 ILE 17 9.803 -3.062 -6.634 153 HD11 ILE 17 3HD1 ILE 17 5.431 -3.908 -5.148 154 HD12 ILE 17 1HD1 ILE 17 5.872 -5.449 -5.881 155 HD13 ILE 17 2HD1 ILE 17 6.229 -3.941 -6.722 156 H LYS 18 H LYS 18 6.993 -3.643 -2.130 157 HA LYS 18 HA LYS 18 9.565 -4.317 -0.858 158 HB2 LYS 18 2HB LYS 18 7.013 -4.244 0.710 159 HB3 LYS 18 1HB LYS 18 8.668 -4.080 1.276 160 HG2 LYS 18 2HG LYS 18 7.556 -1.975 -0.511 161 HG3 LYS 18 1HG LYS 18 7.047 -2.019 1.178 162 HD2 LYS 18 2HD LYS 18 8.879 -0.625 1.281 163 HD3 LYS 18 1HD LYS 18 9.608 -2.190 1.649 164 HE2 LYS 18 2HE LYS 18 10.560 -2.378 -0.475 165 HE3 LYS 18 1HE LYS 18 9.477 -1.168 -1.166 166 HZ1 LYS 18 3HZ LYS 18 11.959 -0.810 0.305 167 HZ2 LYS 18 1HZ LYS 18 10.729 0.300 0.654 168 HZ3 LYS 18 2HZ LYS 18 11.287 0.127 -0.935 169 H GLU 19 H GLU 19 9.250 -6.317 0.635 170 HA GLU 19 HA GLU 19 7.647 -8.313 -0.830 171 HB2 GLU 19 2HB GLU 19 10.401 -8.563 0.375 172 HB3 GLU 19 1HB GLU 19 9.434 -9.958 -0.088 173 HG2 GLU 19 2HG GLU 19 9.590 -9.485 -2.345 174 HG3 GLU 19 1HG GLU 19 9.978 -7.788 -2.066 175 H LEU 20 H LEU 20 6.020 -9.017 0.362 176 HA LEU 20 HA LEU 20 6.493 -9.653 3.184 177 HG LEU 20 HG LEU 20 6.518 -7.021 2.842 178 HB2 LEU 20 2HB LEU 20 4.063 -8.169 2.176 179 HB3 LEU 20 1HB LEU 20 4.348 -8.681 3.829 180 HD11 LEU 20 1HD1 LEU 20 3.803 -6.189 2.212 181 HD12 LEU 20 2HD1 LEU 20 5.346 -5.528 1.672 182 HD13 LEU 20 3HD1 LEU 20 4.663 -5.025 3.219 183 HD21 LEU 20 3HD2 LEU 20 4.588 -6.530 5.101 184 HD22 LEU 20 1HD2 LEU 20 6.234 -5.923 4.926 185 HD23 LEU 20 2HD2 LEU 20 5.954 -7.639 5.215 186 H VAL 21 H VAL 21 3.988 -10.567 3.861 187 HA VAL 21 HA VAL 21 3.556 -12.742 1.919 188 HB VAL 21 HB VAL 21 2.851 -14.139 3.872 189 HG11 VAL 21 1HG1 VAL 21 5.304 -13.772 2.817 190 HG12 VAL 21 2HG1 VAL 21 4.941 -14.962 4.067 191 HG13 VAL 21 3HG1 VAL 21 5.630 -13.398 4.510 192 HG21 VAL 21 3HG2 VAL 21 2.327 -12.494 5.509 193 HG22 VAL 21 1HG2 VAL 21 3.940 -11.792 5.412 194 HG23 VAL 21 2HG2 VAL 21 3.717 -13.395 6.108 195 H ASP 22 H ASP 22 1.981 -10.839 4.483 196 HA ASP 22 HA ASP 22 -0.566 -11.201 3.045 197 HB2 ASP 22 2HB ASP 22 -0.409 -12.427 5.253 198 HB3 ASP 22 1HB ASP 22 -0.305 -10.846 6.034 199 H ALA 23 H ALA 23 -2.162 -9.439 3.493 200 HA ALA 23 HA ALA 23 -0.908 -6.911 3.051 201 HB1 ALA 23 1HB ALA 23 -2.949 -6.146 2.416 202 HB2 ALA 23 2HB ALA 23 -3.805 -7.044 3.672 203 HB3 ALA 23 3HB ALA 23 -3.230 -7.875 2.227 204 H ALA 24 H ALA 24 -2.673 -8.371 5.755 205 HA ALA 24 HA ALA 24 -2.979 -6.195 7.416 206 HB1 ALA 24 1HB ALA 24 -2.236 -9.026 8.157 207 HB2 ALA 24 2HB ALA 24 -3.860 -8.349 8.033 208 HB3 ALA 24 3HB ALA 24 -2.769 -7.802 9.307 209 H THR 25 H THR 25 -0.155 -8.317 7.116 210 HA THR 25 HA THR 25 1.461 -6.785 8.888 211 HB THR 25 HB THR 25 1.949 -9.031 6.960 212 HG1 THR 25 1HG THR 25 1.278 -9.406 9.135 213 HG21 THR 25 3HG2 THR 25 3.892 -7.580 6.636 214 HG22 THR 25 1HG2 THR 25 4.313 -9.080 7.467 215 HG23 THR 25 2HG2 THR 25 4.170 -7.574 8.378 216 H ALA 26 H ALA 26 1.063 -6.957 5.375 217 HA ALA 26 HA ALA 26 3.123 -5.287 4.578 218 HB1 ALA 26 1HB ALA 26 0.330 -5.454 3.420 219 HB2 ALA 26 2HB ALA 26 1.700 -6.479 2.986 220 HB3 ALA 26 3HB ALA 26 1.737 -4.758 2.612 221 H GLU 27 H GLU 27 -0.198 -4.438 5.446 222 HA GLU 27 HA GLU 27 -0.096 -1.692 5.264 223 HB2 GLU 27 2HB GLU 27 -1.631 -3.618 6.960 224 HB3 GLU 27 1HB GLU 27 -1.750 -1.900 7.316 225 HG2 GLU 27 2HG GLU 27 -2.091 -2.182 4.534 226 HG3 GLU 27 1HG GLU 27 -3.083 -3.418 5.305 227 H LYS 28 H LYS 28 1.069 -3.829 7.801 228 HA LYS 28 HA LYS 28 1.588 -1.845 9.747 229 HB2 LYS 28 2HB LYS 28 1.626 -4.484 9.874 230 HB3 LYS 28 1HB LYS 28 3.331 -4.268 9.509 231 HG2 LYS 28 2HG LYS 28 2.038 -2.765 11.752 232 HG3 LYS 28 1HG LYS 28 2.596 -4.424 11.968 233 HD2 LYS 28 2HD LYS 28 4.357 -2.232 10.894 234 HD3 LYS 28 1HD LYS 28 4.233 -2.604 12.615 235 HE2 LYS 28 2HE LYS 28 4.691 -4.969 10.988 236 HE3 LYS 28 1HE LYS 28 5.968 -3.767 10.805 237 HZ1 LYS 28 3HZ LYS 28 6.232 -3.735 13.207 238 HZ2 LYS 28 1HZ LYS 28 6.452 -5.300 12.603 239 HZ3 LYS 28 2HZ LYS 28 5.009 -4.889 13.382 240 H TYR 29 H TYR 29 3.673 -3.397 7.340 241 HA TYR 29 HA TYR 29 5.923 -1.729 7.872 242 HD1 TYR 29 2HD TYR 29 6.376 -1.469 4.195 243 HD2 TYR 29 1HD TYR 29 8.465 -3.898 6.992 244 HE1 TYR 29 2HE TYR 29 8.505 -0.775 3.196 245 HE2 TYR 29 1HE TYR 29 10.607 -3.210 5.999 246 HH TYR 29 HH TYR 29 11.529 -1.413 4.672 247 HB2 TYR 29 2HB TYR 29 6.141 -3.998 6.922 248 HB3 TYR 29 1HB TYR 29 5.299 -3.458 5.470 249 H PHE 30 H PHE 30 3.913 -2.031 4.960 250 HA PHE 30 HA PHE 30 4.751 0.120 3.539 251 HD1 PHE 30 2HD PHE 30 5.196 -0.192 2.009 252 HD2 PHE 30 1HD PHE 30 1.407 -2.008 1.306 253 HE1 PHE 30 2HE PHE 30 5.951 -0.896 -0.213 254 HE2 PHE 30 1HE PHE 30 2.165 -2.714 -0.924 255 HZ PHE 30 HZ PHE 30 4.439 -2.161 -1.685 256 HB2 PHE 30 2HB PHE 30 2.314 -1.488 3.655 257 HB3 PHE 30 1HB PHE 30 2.016 0.142 3.060 258 H LYS 31 H LYS 31 2.124 0.219 5.957 259 HA LYS 31 HA LYS 31 1.595 2.962 5.699 260 HB2 LYS 31 2HB LYS 31 0.163 1.268 6.894 261 HB3 LYS 31 1HB LYS 31 1.304 1.354 8.236 262 HG2 LYS 31 2HG LYS 31 0.652 3.474 8.833 263 HG3 LYS 31 1HG LYS 31 0.073 3.868 7.213 264 HD2 LYS 31 2HD LYS 31 -1.522 1.739 8.006 265 HD3 LYS 31 1HD LYS 31 -1.351 2.719 9.464 266 HE2 LYS 31 2HE LYS 31 -2.458 4.498 8.566 267 HE3 LYS 31 1HE LYS 31 -1.937 4.130 6.922 268 HZ1 LYS 31 3HZ LYS 31 -3.981 2.596 8.435 269 HZ2 LYS 31 1HZ LYS 31 -3.522 2.340 6.826 270 HZ3 LYS 31 2HZ LYS 31 -4.322 3.764 7.262 271 H LEU 32 H LEU 32 3.850 1.221 7.800 272 HA LEU 32 HA LEU 32 4.702 3.432 9.311 273 HG LEU 32 HG LEU 32 5.486 2.706 11.126 274 HB2 LEU 32 2HB LEU 32 5.420 0.681 9.018 275 HB3 LEU 32 1HB LEU 32 6.880 1.643 8.990 276 HD11 LEU 32 1HD1 LEU 32 3.841 1.066 11.293 277 HD12 LEU 32 2HD1 LEU 32 5.059 0.561 12.464 278 HD13 LEU 32 3HD1 LEU 32 4.962 -0.233 10.892 279 HD21 LEU 32 3HD2 LEU 32 7.141 1.022 12.373 280 HD22 LEU 32 1HD2 LEU 32 7.702 2.467 11.536 281 HD23 LEU 32 2HD2 LEU 32 7.795 0.896 10.742 282 H TYR 33 H TYR 33 5.532 2.335 6.113 283 HA TYR 33 HA TYR 33 7.921 3.887 5.868 284 HD1 TYR 33 2HD TYR 33 5.954 4.413 2.351 285 HD2 TYR 33 1HD TYR 33 9.716 2.713 3.373 286 HE1 TYR 33 2HE TYR 33 6.976 5.519 0.408 287 HE2 TYR 33 1HE TYR 33 10.749 3.815 1.433 288 HH TYR 33 HH TYR 33 8.984 5.158 -1.073 289 HB2 TYR 33 2HB TYR 33 7.766 1.974 4.471 290 HB3 TYR 33 1HB TYR 33 6.162 2.433 3.892 291 H ALA 34 H ALA 34 4.698 4.187 4.372 292 HA ALA 34 HA ALA 34 5.086 6.670 3.181 293 HB1 ALA 34 1HB ALA 34 2.679 5.142 4.054 294 HB2 ALA 34 2HB ALA 34 3.203 5.591 2.431 295 HB3 ALA 34 3HB ALA 34 2.495 6.807 3.497 296 H ASN 35 H ASN 35 4.266 5.851 6.480 297 HA ASN 35 HA ASN 35 3.460 8.475 7.256 298 HB2 ASN 35 2HB ASN 35 2.777 6.402 8.457 299 HB3 ASN 35 1HB ASN 35 4.439 6.213 9.008 300 HD21 ASN 35 1HD2 ASN 35 1.833 6.709 10.403 301 HD22 ASN 35 2HD2 ASN 35 2.138 8.071 11.422 302 H ALA 36 H ALA 36 6.505 6.707 7.292 303 HA ALA 36 HA ALA 36 7.860 8.863 8.694 304 HB1 ALA 36 1HB ALA 36 8.377 6.469 9.149 305 HB2 ALA 36 2HB ALA 36 9.783 7.438 8.713 306 HB3 ALA 36 3HB ALA 36 9.056 6.355 7.525 307 H LYS 37 H LYS 37 8.230 7.197 5.562 308 HA LYS 37 HA LYS 37 10.157 8.881 4.477 309 HB2 LYS 37 2HB LYS 37 8.585 6.710 3.591 310 HB3 LYS 37 1HB LYS 37 8.354 7.998 2.418 311 HG2 LYS 37 2HG LYS 37 10.167 6.794 1.601 312 HG3 LYS 37 1HG LYS 37 10.903 8.189 2.392 313 HD2 LYS 37 2HD LYS 37 11.183 6.741 4.436 314 HD3 LYS 37 1HD LYS 37 10.692 5.370 3.437 315 HE2 LYS 37 2HE LYS 37 12.562 6.025 1.861 316 HE3 LYS 37 1HE LYS 37 13.117 7.124 3.123 317 HZ1 LYS 37 3HZ LYS 37 12.645 4.298 3.780 318 HZ2 LYS 37 1HZ LYS 37 13.716 5.400 4.488 319 HZ3 LYS 37 2HZ LYS 37 14.068 4.732 2.975 320 H THR 38 H THR 38 6.781 8.905 3.339 321 HA THR 38 HA THR 38 7.044 11.809 2.954 322 HB THR 38 HB THR 38 5.273 11.582 1.264 323 HG1 THR 38 1HG THR 38 4.619 9.451 0.685 324 HG21 THR 38 3HG2 THR 38 7.735 11.101 0.722 325 HG22 THR 38 1HG2 THR 38 6.499 10.621 -0.442 326 HG23 THR 38 2HG2 THR 38 7.222 9.416 0.625 327 H VAL 39 H VAL 39 4.197 12.248 2.597 328 HA VAL 39 HA VAL 39 3.423 12.218 5.415 329 HB VAL 39 HB VAL 39 3.375 14.380 4.246 330 HG11 VAL 39 1HG1 VAL 39 2.362 14.755 2.279 331 HG12 VAL 39 2HG1 VAL 39 0.962 13.772 2.697 332 HG13 VAL 39 3HG1 VAL 39 2.432 13.004 2.099 333 HG21 VAL 39 3HG2 VAL 39 1.769 13.738 6.112 334 HG22 VAL 39 1HG2 VAL 39 0.549 13.565 4.851 335 HG23 VAL 39 2HG2 VAL 39 1.324 15.125 5.120 336 H GLU 40 H GLU 40 1.192 11.748 5.997 337 HA GLU 40 HA GLU 40 0.164 9.494 4.439 338 HB2 GLU 40 2HB GLU 40 0.616 9.748 7.118 339 HB3 GLU 40 1HB GLU 40 -1.102 10.123 7.024 340 HG2 GLU 40 2HG GLU 40 -1.505 7.950 7.020 341 HG3 GLU 40 1HG GLU 40 -0.756 7.863 5.427 342 H GLY 41 H GLY 41 -1.454 9.844 3.077 343 HA2 GLY 41 2HA GLY 41 -3.493 11.834 3.825 344 HA3 GLY 41 1HA GLY 41 -2.831 11.780 2.191 345 H VAL 42 H VAL 42 -4.674 11.252 1.084 346 HA VAL 42 HA VAL 42 -6.582 9.362 1.917 347 HB VAL 42 HB VAL 42 -7.053 11.022 0.170 348 HG11 VAL 42 1HG1 VAL 42 -5.812 11.281 -1.657 349 HG12 VAL 42 2HG1 VAL 42 -5.857 9.562 -2.027 350 HG13 VAL 42 3HG1 VAL 42 -4.658 10.197 -0.901 351 HG21 VAL 42 3HG2 VAL 42 -7.406 8.442 -1.252 352 HG22 VAL 42 1HG2 VAL 42 -8.574 9.717 -0.920 353 HG23 VAL 42 2HG2 VAL 42 -8.105 8.590 0.356 354 H TRP 43 H TRP 43 -6.781 7.240 1.664 355 HA TRP 43 HA TRP 43 -4.474 5.805 0.573 356 HD1 TRP 43 HD TRP 43 -4.746 7.089 4.090 357 HE1 TRP 43 1HE TRP 43 -2.433 6.772 5.171 358 HE3 TRP 43 3HE TRP 43 -3.417 2.686 1.872 359 HZ2 TRP 43 2HZ TRP 43 -0.320 4.900 5.093 360 HZ3 TRP 43 3HZ TRP 43 -1.230 1.697 2.427 361 HH2 TRP 43 HH TRP 43 0.285 2.783 4.003 362 HB2 TRP 43 2HB TRP 43 -6.358 5.308 2.829 363 HB3 TRP 43 1HB TRP 43 -5.576 3.932 2.056 364 H THR 44 H THR 44 -4.722 4.392 -1.046 365 HA THR 44 HA THR 44 -7.410 3.464 -1.754 366 HB THR 44 HB THR 44 -5.821 3.997 -4.127 367 HG1 THR 44 1HG THR 44 -6.439 6.174 -2.423 368 HG21 THR 44 3HG2 THR 44 -7.800 4.442 -5.043 369 HG22 THR 44 1HG2 THR 44 -8.257 5.549 -3.748 370 HG23 THR 44 2HG2 THR 44 -8.476 3.812 -3.540 371 H TYR 45 H TYR 45 -7.227 1.332 -1.489 372 HA TYR 45 HA TYR 45 -4.725 -0.017 -2.094 373 HD1 TYR 45 2HD TYR 45 -3.664 -1.816 -1.308 374 HD2 TYR 45 1HD TYR 45 -7.602 -3.354 -0.831 375 HE1 TYR 45 2HE TYR 45 -2.784 -4.105 -1.478 376 HE2 TYR 45 1HE TYR 45 -6.733 -5.648 -0.997 377 HH TYR 45 HH TYR 45 -4.350 -6.754 -0.507 378 HB2 TYR 45 2HB TYR 45 -5.884 -0.593 -0.024 379 HB3 TYR 45 1HB TYR 45 -7.314 -1.070 -0.935 380 H LYS 46 H LYS 46 -4.503 -1.720 -3.545 381 HA LYS 46 HA LYS 46 -6.613 -1.909 -5.592 382 HB2 LYS 46 2HB LYS 46 -3.616 -2.047 -5.958 383 HB3 LYS 46 1HB LYS 46 -4.793 -2.352 -7.228 384 HG2 LYS 46 2HG LYS 46 -5.294 0.184 -5.958 385 HG3 LYS 46 1HG LYS 46 -3.632 0.086 -6.544 386 HD2 LYS 46 2HD LYS 46 -4.284 -0.173 -8.740 387 HD3 LYS 46 1HD LYS 46 -5.879 -0.792 -8.305 388 HE2 LYS 46 2HE LYS 46 -5.911 1.729 -7.240 389 HE3 LYS 46 1HE LYS 46 -4.968 1.959 -8.709 390 HZ1 LYS 46 3HZ LYS 46 -7.468 2.220 -8.886 391 HZ2 LYS 46 1HZ LYS 46 -7.562 0.539 -8.716 392 HZ3 LYS 46 2HZ LYS 46 -6.733 1.215 -10.033 393 H ASP 47 H ASP 47 -7.489 -3.856 -5.768 394 HA ASP 47 HA ASP 47 -6.118 -6.139 -4.560 395 HB2 ASP 47 2HB ASP 47 -8.479 -7.221 -5.173 396 HB3 ASP 47 1HB ASP 47 -8.270 -6.213 -3.736 397 H GLU 48 H GLU 48 -5.115 -5.162 -7.024 398 HA GLU 48 HA GLU 48 -5.977 -7.155 -8.986 399 HB2 GLU 48 2HB GLU 48 -4.454 -4.583 -9.146 400 HB3 GLU 48 1HB GLU 48 -4.234 -5.788 -10.406 401 HG2 GLU 48 2HG GLU 48 -6.464 -5.644 -11.093 402 HG3 GLU 48 1HG GLU 48 -6.958 -4.830 -9.603 403 H THR 49 H THR 49 -3.331 -6.287 -6.921 404 HA THR 49 HA THR 49 -2.126 -8.825 -7.077 405 HB THR 49 HB THR 49 -1.387 -8.068 -9.284 406 HG1 THR 49 1HG THR 49 0.709 -8.050 -7.377 407 HG21 THR 49 3HG2 THR 49 -1.261 -5.787 -9.361 408 HG22 THR 49 1HG2 THR 49 0.446 -6.214 -9.188 409 HG23 THR 49 2HG2 THR 49 -0.472 -5.666 -7.790 410 H LYS 50 H LYS 50 -2.991 -7.010 -5.092 411 HA LYS 50 HA LYS 50 -2.369 -6.194 -3.062 412 HB2 LYS 50 2HB LYS 50 0.018 -7.900 -3.735 413 HB3 LYS 50 1HB LYS 50 -0.065 -6.986 -2.234 414 HG2 LYS 50 2HG LYS 50 -0.972 -8.873 -1.435 415 HG3 LYS 50 1HG LYS 50 -2.450 -8.239 -2.163 416 HD2 LYS 50 2HD LYS 50 -1.527 -9.483 -4.299 417 HD3 LYS 50 1HD LYS 50 -0.656 -10.431 -3.090 418 HE2 LYS 50 2HE LYS 50 -2.519 -11.481 -2.400 419 HE3 LYS 50 1HE LYS 50 -3.488 -10.007 -2.474 420 HZ1 LYS 50 3HZ LYS 50 -4.174 -10.463 -4.553 421 HZ2 LYS 50 1HZ LYS 50 -3.794 -12.058 -4.140 422 HZ3 LYS 50 2HZ LYS 50 -2.697 -11.131 -5.032 423 H THR 51 H THR 51 -2.402 -4.077 -4.139 424 HA THR 51 HA THR 51 0.227 -2.808 -3.929 425 HB THR 51 HB THR 51 -1.662 -2.357 -6.247 426 HG1 THR 51 1HG THR 51 0.901 -3.567 -6.200 427 HG21 THR 51 3HG2 THR 51 -0.624 -0.354 -6.234 428 HG22 THR 51 1HG2 THR 51 0.620 -1.279 -7.073 429 HG23 THR 51 2HG2 THR 51 0.775 -0.956 -5.346 430 H PHE 52 H PHE 52 0.151 -1.088 -2.671 431 HA PHE 52 HA PHE 52 -2.439 0.075 -1.981 432 HD1 PHE 52 2HD PHE 52 -0.207 -2.295 -0.505 433 HD2 PHE 52 1HD PHE 52 -2.550 0.752 1.318 434 HE1 PHE 52 2HE PHE 52 -1.106 -3.942 1.085 435 HE2 PHE 52 1HE PHE 52 -3.453 -0.889 2.915 436 HZ PHE 52 HZ PHE 52 -2.731 -3.241 2.796 437 HB2 PHE 52 2HB PHE 52 0.302 0.184 -0.741 438 HB3 PHE 52 1HB PHE 52 -0.955 1.332 -0.271 439 H THR 53 H THR 53 -2.833 2.328 -2.081 440 HA THR 53 HA THR 53 -0.912 3.964 -3.551 441 HB THR 53 HB THR 53 -3.790 3.733 -4.430 442 HG1 THR 53 1HG THR 53 -1.444 2.528 -5.439 443 HG21 THR 53 3HG2 THR 53 -2.753 5.880 -4.965 444 HG22 THR 53 1HG2 THR 53 -3.087 4.926 -6.410 445 HG23 THR 53 2HG2 THR 53 -1.441 5.032 -5.783 446 H VAL 54 H VAL 54 -0.614 5.290 -1.789 447 HA VAL 54 HA VAL 54 -2.991 6.775 -0.869 448 HB VAL 54 HB VAL 54 -1.987 5.461 0.935 449 HG11 VAL 54 1HG1 VAL 54 0.515 6.987 0.243 450 HG12 VAL 54 2HG1 VAL 54 0.268 5.240 0.212 451 HG13 VAL 54 3HG1 VAL 54 0.295 6.099 1.751 452 HG21 VAL 54 3HG2 VAL 54 -1.976 8.427 1.003 453 HG22 VAL 54 1HG2 VAL 54 -1.248 7.583 2.370 454 HG23 VAL 54 2HG2 VAL 54 -2.930 7.274 1.935 455 H THR 55 H THR 55 -2.951 8.978 -0.953 456 HA THR 55 HA THR 55 -0.437 10.314 -1.603 457 HB THR 55 HB THR 55 -1.188 10.139 -3.784 458 HG1 THR 55 1HG THR 55 -0.982 12.249 -3.780 459 HG21 THR 55 3HG2 THR 55 -4.007 10.805 -3.052 460 HG22 THR 55 1HG2 THR 55 -3.411 9.153 -3.114 461 HG23 THR 55 2HG2 THR 55 -3.389 10.152 -4.567 462 H GLU 56 H GLU 56 -0.756 12.769 -1.584 463 HA GLU 56 HA GLU 56 -2.458 13.426 0.719 464 HB2 GLU 56 2HB GLU 56 0.069 13.799 0.780 465 HB3 GLU 56 1HB GLU 56 -0.200 15.104 -0.365 466 HG2 GLU 56 2HG GLU 56 -1.919 15.201 1.997 467 HG3 GLU 56 1HG GLU 56 -0.198 15.357 2.343 Start of MODEL 5 1 HA THR 1 HA THR 1 5.573 -12.800 -2.483 2 HB THR 1 HB THR 1 3.319 -11.036 -1.815 3 HG1 THR 1 1HG THR 1 2.677 -12.251 -0.220 4 H1 THR 1 1HT THR 1 4.958 -12.080 0.299 5 H2 THR 1 2HT THR 1 6.498 -12.591 -0.254 6 H3 THR 1 3HT THR 1 5.152 -13.648 -0.362 7 HG21 THR 1 3HG2 THR 1 2.168 -12.204 -3.450 8 HG22 THR 1 1HG2 THR 1 3.165 -13.646 -3.261 9 HG23 THR 1 2HG2 THR 1 3.832 -12.206 -4.034 10 H THR 2 H THR 2 4.644 -10.439 -3.567 11 HA THR 2 HA THR 2 6.591 -8.474 -2.558 12 HB THR 2 HB THR 2 5.660 -8.823 -5.413 13 HG1 THR 2 1HG THR 2 8.164 -9.522 -4.290 14 HG21 THR 2 3HG2 THR 2 7.178 -7.232 -6.070 15 HG22 THR 2 1HG2 THR 2 8.131 -7.374 -4.594 16 HG23 THR 2 2HG2 THR 2 6.573 -6.550 -4.560 17 H TYR 3 H TYR 3 5.661 -6.763 -1.677 18 HA TYR 3 HA TYR 3 2.956 -6.012 -2.517 19 HD1 TYR 3 1HD TYR 3 1.045 -4.667 -0.780 20 HD2 TYR 3 2HD TYR 3 3.375 -7.872 0.757 21 HE1 TYR 3 1HE TYR 3 -1.008 -5.795 -0.036 22 HE2 TYR 3 2HE TYR 3 1.335 -9.010 1.507 23 HH TYR 3 HH TYR 3 -1.027 -9.053 1.035 24 HB2 TYR 3 2HB TYR 3 4.442 -5.917 0.017 25 HB3 TYR 3 1HB TYR 3 3.518 -4.454 -0.328 26 H LYS 4 H LYS 4 2.517 -4.098 -3.471 27 HA LYS 4 HA LYS 4 4.798 -2.298 -3.946 28 HB2 LYS 4 2HB LYS 4 3.477 -3.571 -5.853 29 HB3 LYS 4 1HB LYS 4 2.358 -2.228 -5.665 30 HG2 LYS 4 2HG LYS 4 4.217 -0.661 -6.072 31 HG3 LYS 4 1HG LYS 4 5.284 -2.040 -6.349 32 HD2 LYS 4 2HD LYS 4 4.120 -2.684 -8.292 33 HD3 LYS 4 1HD LYS 4 2.744 -1.647 -7.906 34 HE2 LYS 4 2HE LYS 4 3.685 -0.201 -9.337 35 HE3 LYS 4 1HE LYS 4 4.790 0.152 -8.009 36 HZ1 LYS 4 3HZ LYS 4 5.257 -1.335 -10.466 37 HZ2 LYS 4 1HZ LYS 4 6.008 -1.937 -9.073 38 HZ3 LYS 4 2HZ LYS 4 6.308 -0.351 -9.578 39 H LEU 5 H LEU 5 4.604 -0.123 -3.632 40 HA LEU 5 HA LEU 5 2.025 0.930 -2.721 41 HG LEU 5 HG LEU 5 3.743 3.343 -1.148 42 HB2 LEU 5 2HB LEU 5 3.105 0.432 -0.664 43 HB3 LEU 5 1HB LEU 5 4.638 1.083 -1.231 44 HD11 LEU 5 1HD1 LEU 5 1.563 3.703 -1.315 45 HD12 LEU 5 2HD1 LEU 5 1.348 3.025 0.299 46 HD13 LEU 5 3HD1 LEU 5 1.230 1.981 -1.119 47 HD21 LEU 5 3HD2 LEU 5 3.227 1.790 1.384 48 HD22 LEU 5 1HD2 LEU 5 3.448 3.537 1.280 49 HD23 LEU 5 2HD2 LEU 5 4.777 2.451 0.864 50 H ILE 6 H ILE 6 1.661 3.071 -3.205 51 HA ILE 6 HA ILE 6 3.813 4.497 -4.614 52 HB ILE 6 HB ILE 6 2.447 3.731 -6.386 53 HG12 ILE 6 2HG1 ILE 6 1.328 6.478 -5.824 54 HG13 ILE 6 1HG1 ILE 6 3.001 6.225 -6.313 55 HG21 ILE 6 1HG2 ILE 6 0.049 3.856 -6.446 56 HG22 ILE 6 2HG2 ILE 6 0.016 4.724 -4.911 57 HG23 ILE 6 3HG2 ILE 6 0.544 3.044 -4.962 58 HD11 ILE 6 3HD1 ILE 6 2.439 5.938 -8.448 59 HD12 ILE 6 1HD1 ILE 6 0.889 6.643 -7.992 60 HD13 ILE 6 2HD1 ILE 6 1.078 4.892 -8.046 61 H LEU 7 H LEU 7 4.149 6.501 -3.901 62 HA LEU 7 HA LEU 7 1.993 7.826 -2.408 63 HG LEU 7 HG LEU 7 2.752 6.296 -0.694 64 HB2 LEU 7 2HB LEU 7 4.941 7.816 -1.785 65 HB3 LEU 7 1HB LEU 7 3.778 8.906 -1.035 66 HD11 LEU 7 1HD1 LEU 7 5.711 6.449 -0.437 67 HD12 LEU 7 2HD1 LEU 7 4.687 5.104 -0.941 68 HD13 LEU 7 3HD1 LEU 7 4.808 5.526 0.767 69 HD21 LEU 7 3HD2 LEU 7 2.416 7.089 1.365 70 HD22 LEU 7 1HD2 LEU 7 3.103 8.599 0.768 71 HD23 LEU 7 2HD2 LEU 7 4.126 7.435 1.607 72 H ASN 8 H ASN 8 1.409 9.745 -3.178 73 HA ASN 8 HA ASN 8 3.231 11.079 -5.067 74 HB2 ASN 8 2HB ASN 8 0.241 11.453 -4.833 75 HB3 ASN 8 1HB ASN 8 1.290 12.081 -6.097 76 HD21 ASN 8 1HD2 ASN 8 0.145 11.076 -7.724 77 HD22 ASN 8 2HD2 ASN 8 0.207 9.358 -7.981 78 H LEU 9 H LEU 9 4.409 12.382 -3.729 79 HA LEU 9 HA LEU 9 3.129 14.004 -1.711 80 HG LEU 9 HG LEU 9 5.161 12.107 -0.886 81 HB2 LEU 9 2HB LEU 9 5.942 13.612 -2.653 82 HB3 LEU 9 1HB LEU 9 5.541 14.995 -1.656 83 HD11 LEU 9 1HD1 LEU 9 7.139 12.172 0.165 84 HD12 LEU 9 2HD1 LEU 9 6.915 13.837 0.699 85 HD13 LEU 9 3HD1 LEU 9 7.491 13.499 -0.933 86 HD21 LEU 9 3HD2 LEU 9 4.217 14.651 0.278 87 HD22 LEU 9 1HD2 LEU 9 4.911 13.484 1.405 88 HD23 LEU 9 2HD2 LEU 9 3.540 13.026 0.392 89 H LYS 10 H LYS 10 3.813 16.404 -1.660 90 HA LYS 10 HA LYS 10 2.631 17.676 -3.896 91 HB2 LYS 10 2HB LYS 10 3.638 18.441 -1.281 92 HB3 LYS 10 1HB LYS 10 4.026 19.646 -2.502 93 HG2 LYS 10 2HG LYS 10 1.922 20.153 -1.408 94 HG3 LYS 10 1HG LYS 10 1.677 19.798 -3.120 95 HD2 LYS 10 2HD LYS 10 1.367 17.332 -2.057 96 HD3 LYS 10 1HD LYS 10 0.771 18.333 -0.730 97 HE2 LYS 10 2HE LYS 10 -1.111 17.858 -2.063 98 HE3 LYS 10 1HE LYS 10 -0.666 19.516 -2.440 99 HZ1 LYS 10 3HZ LYS 10 0.543 17.483 -4.115 100 HZ2 LYS 10 1HZ LYS 10 -0.125 18.988 -4.537 101 HZ3 LYS 10 2HZ LYS 10 -1.134 17.651 -4.281 102 H GLN 11 H GLN 11 5.942 17.073 -2.943 103 HA GLN 11 HA GLN 11 7.153 18.826 -4.811 104 HB2 GLN 11 2HB GLN 11 8.115 17.603 -2.683 105 HB3 GLN 11 1HB GLN 11 8.531 16.353 -3.848 106 HG2 GLN 11 2HG GLN 11 10.362 17.931 -3.391 107 HG3 GLN 11 1HG GLN 11 9.888 17.896 -5.089 108 HE21 GLN 11 1HE2 GLN 11 8.907 19.679 -6.000 109 HE22 GLN 11 2HE2 GLN 11 8.870 21.221 -5.223 110 H ALA 12 H ALA 12 6.672 15.299 -4.818 111 HA ALA 12 HA ALA 12 6.164 15.230 -7.617 112 HB1 ALA 12 1HB ALA 12 8.108 14.433 -8.509 113 HB2 ALA 12 2HB ALA 12 8.650 13.729 -6.986 114 HB3 ALA 12 3HB ALA 12 8.772 15.469 -7.246 115 H LYS 13 H LYS 13 6.213 12.837 -8.398 116 HA LYS 13 HA LYS 13 4.758 11.304 -6.403 117 HB2 LYS 13 2HB LYS 13 5.230 10.789 -9.345 118 HB3 LYS 13 1HB LYS 13 4.211 9.814 -8.305 119 HG2 LYS 13 2HG LYS 13 2.888 11.932 -7.854 120 HG3 LYS 13 1HG LYS 13 3.779 12.644 -9.199 121 HD2 LYS 13 2HD LYS 13 2.279 10.055 -9.464 122 HD3 LYS 13 1HD LYS 13 1.508 11.621 -9.732 123 HE2 LYS 13 2HE LYS 13 2.569 11.955 -11.691 124 HE3 LYS 13 1HE LYS 13 4.062 11.198 -11.133 125 HZ1 LYS 13 3HZ LYS 13 1.651 9.909 -12.240 126 HZ2 LYS 13 1HZ LYS 13 2.769 9.036 -11.321 127 HZ3 LYS 13 2HZ LYS 13 3.253 9.773 -12.761 128 H GLU 14 H GLU 14 5.651 9.743 -5.242 129 HA GLU 14 HA GLU 14 8.121 8.482 -6.236 130 HB2 GLU 14 2HB GLU 14 7.387 8.822 -3.332 131 HB3 GLU 14 1HB GLU 14 8.935 8.316 -3.996 132 HG2 GLU 14 2HG GLU 14 7.730 11.033 -4.425 133 HG3 GLU 14 1HG GLU 14 8.874 10.652 -3.139 134 H GLU 15 H GLU 15 8.195 6.317 -6.340 135 HA GLU 15 HA GLU 15 6.011 4.803 -5.072 136 HB2 GLU 15 2HB GLU 15 6.967 4.752 -7.905 137 HB3 GLU 15 1HB GLU 15 6.371 3.261 -7.183 138 HG2 GLU 15 2HG GLU 15 4.333 4.751 -6.511 139 HG3 GLU 15 1HG GLU 15 4.910 5.774 -7.824 140 H ALA 16 H ALA 16 6.497 2.594 -4.565 141 HA ALA 16 HA ALA 16 9.232 1.679 -4.798 142 HB1 ALA 16 1HB ALA 16 9.932 1.898 -2.666 143 HB2 ALA 16 2HB ALA 16 8.322 1.636 -1.995 144 HB3 ALA 16 3HB ALA 16 8.761 3.217 -2.639 145 H ILE 17 H ILE 17 9.498 -0.513 -3.789 146 HA ILE 17 HA ILE 17 6.967 -1.989 -3.598 147 HB ILE 17 HB ILE 17 7.797 -2.250 -5.899 148 HG12 ILE 17 2HG1 ILE 17 8.309 -4.924 -5.428 149 HG13 ILE 17 1HG1 ILE 17 7.415 -4.438 -3.991 150 HG21 ILE 17 1HG2 ILE 17 10.283 -2.154 -4.853 151 HG22 ILE 17 2HG2 ILE 17 9.911 -2.779 -6.460 152 HG23 ILE 17 3HG2 ILE 17 10.107 -3.888 -5.103 153 HD11 ILE 17 3HD1 ILE 17 6.164 -5.333 -6.092 154 HD12 ILE 17 1HD1 ILE 17 6.373 -3.683 -6.676 155 HD13 ILE 17 2HD1 ILE 17 5.504 -3.981 -5.172 156 H LYS 18 H LYS 18 6.912 -3.263 -1.864 157 HA LYS 18 HA LYS 18 9.457 -4.231 -0.744 158 HB2 LYS 18 2HB LYS 18 7.271 -3.714 1.181 159 HB3 LYS 18 1HB LYS 18 9.002 -3.489 1.362 160 HG2 LYS 18 2HG LYS 18 7.707 -1.612 -0.489 161 HG3 LYS 18 1HG LYS 18 7.189 -1.489 1.192 162 HD2 LYS 18 2HD LYS 18 8.980 -0.082 1.235 163 HD3 LYS 18 1HD LYS 18 9.790 -1.598 1.633 164 HE2 LYS 18 2HE LYS 18 9.528 -0.916 -1.237 165 HE3 LYS 18 1HE LYS 18 10.652 0.055 -0.284 166 HZ1 LYS 18 3HZ LYS 18 11.997 -1.739 0.124 167 HZ2 LYS 18 1HZ LYS 18 11.452 -2.117 -1.433 168 HZ3 LYS 18 2HZ LYS 18 10.763 -2.876 -0.087 169 H GLU 19 H GLU 19 9.500 -6.326 -0.107 170 HA GLU 19 HA GLU 19 7.167 -7.942 -0.756 171 HB2 GLU 19 2HB GLU 19 10.029 -8.625 -0.096 172 HB3 GLU 19 1HB GLU 19 8.783 -9.851 -0.299 173 HG2 GLU 19 2HG GLU 19 8.998 -9.789 -2.495 174 HG3 GLU 19 1HG GLU 19 8.739 -8.045 -2.520 175 H LEU 20 H LEU 20 5.927 -9.006 0.679 176 HA LEU 20 HA LEU 20 6.787 -9.154 3.478 177 HG LEU 20 HG LEU 20 4.746 -6.182 4.221 178 HB2 LEU 20 2HB LEU 20 4.222 -7.910 2.495 179 HB3 LEU 20 1HB LEU 20 4.392 -8.529 4.127 180 HD11 LEU 20 1HD1 LEU 20 6.939 -6.031 5.163 181 HD12 LEU 20 2HD1 LEU 20 7.480 -7.445 4.258 182 HD13 LEU 20 3HD1 LEU 20 6.283 -7.624 5.541 183 HD21 LEU 20 3HD2 LEU 20 5.708 -4.943 2.626 184 HD22 LEU 20 1HD2 LEU 20 5.624 -6.398 1.632 185 HD23 LEU 20 2HD2 LEU 20 7.102 -6.015 2.508 186 H VAL 21 H VAL 21 4.823 -10.370 4.711 187 HA VAL 21 HA VAL 21 4.608 -12.909 3.302 188 HB VAL 21 HB VAL 21 3.873 -13.840 5.447 189 HG11 VAL 21 1HG1 VAL 21 6.199 -12.249 6.309 190 HG12 VAL 21 2HG1 VAL 21 6.376 -13.107 4.780 191 HG13 VAL 21 3HG1 VAL 21 5.975 -13.999 6.248 192 HG21 VAL 21 3HG2 VAL 21 3.988 -12.372 7.477 193 HG22 VAL 21 1HG2 VAL 21 2.638 -12.038 6.397 194 HG23 VAL 21 2HG2 VAL 21 4.050 -10.985 6.392 195 H ASP 22 H ASP 22 2.478 -10.561 4.898 196 HA ASP 22 HA ASP 22 0.286 -11.486 3.196 197 HB2 ASP 22 2HB ASP 22 0.464 -12.078 5.964 198 HB3 ASP 22 1HB ASP 22 -0.787 -10.847 5.782 199 H ALA 23 H ALA 23 -1.739 -9.906 4.050 200 HA ALA 23 HA ALA 23 -0.793 -7.286 3.256 201 HB1 ALA 23 1HB ALA 23 -2.983 -8.559 2.524 202 HB2 ALA 23 2HB ALA 23 -2.932 -6.799 2.646 203 HB3 ALA 23 3HB ALA 23 -3.643 -7.756 3.948 204 H ALA 24 H ALA 24 -2.489 -8.716 6.039 205 HA ALA 24 HA ALA 24 -2.952 -6.494 7.574 206 HB1 ALA 24 1HB ALA 24 -1.953 -9.176 8.534 207 HB2 ALA 24 2HB ALA 24 -3.636 -8.721 8.267 208 HB3 ALA 24 3HB ALA 24 -2.708 -7.945 9.548 209 H THR 25 H THR 25 0.041 -8.392 7.417 210 HA THR 25 HA THR 25 1.500 -6.631 9.112 211 HB THR 25 HB THR 25 2.174 -8.959 7.359 212 HG1 THR 25 1HG THR 25 2.869 -8.366 10.038 213 HG21 THR 25 3HG2 THR 25 4.291 -7.218 8.602 214 HG22 THR 25 1HG2 THR 25 3.986 -7.376 6.872 215 HG23 THR 25 2HG2 THR 25 4.541 -8.771 7.804 216 H ALA 26 H ALA 26 1.118 -7.011 5.619 217 HA ALA 26 HA ALA 26 3.056 -5.249 4.722 218 HB1 ALA 26 1HB ALA 26 0.273 -5.710 3.621 219 HB2 ALA 26 2HB ALA 26 1.743 -6.573 3.169 220 HB3 ALA 26 3HB ALA 26 1.566 -4.866 2.765 221 H GLU 27 H GLU 27 -0.317 -4.570 5.536 222 HA GLU 27 HA GLU 27 -0.366 -1.831 5.253 223 HB2 GLU 27 2HB GLU 27 -1.790 -3.723 7.110 224 HB3 GLU 27 1HB GLU 27 -2.096 -1.991 7.177 225 HG2 GLU 27 2HG GLU 27 -2.339 -2.538 4.500 226 HG3 GLU 27 1HG GLU 27 -3.013 -3.979 5.261 227 H LYS 28 H LYS 28 0.913 -3.804 7.857 228 HA LYS 28 HA LYS 28 1.295 -1.660 9.700 229 HB2 LYS 28 2HB LYS 28 1.172 -4.126 10.270 230 HB3 LYS 28 1HB LYS 28 2.804 -4.273 9.638 231 HG2 LYS 28 2HG LYS 28 3.522 -2.552 11.300 232 HG3 LYS 28 1HG LYS 28 1.905 -2.649 12.002 233 HD2 LYS 28 2HD LYS 28 3.107 -4.131 13.317 234 HD3 LYS 28 1HD LYS 28 2.383 -5.198 12.115 235 HE2 LYS 28 2HE LYS 28 4.533 -4.911 10.791 236 HE3 LYS 28 1HE LYS 28 5.211 -4.185 12.246 237 HZ1 LYS 28 3HZ LYS 28 5.081 -6.167 13.398 238 HZ2 LYS 28 1HZ LYS 28 5.525 -6.688 11.850 239 HZ3 LYS 28 2HZ LYS 28 3.919 -6.833 12.364 240 H TYR 29 H TYR 29 3.414 -3.385 7.450 241 HA TYR 29 HA TYR 29 5.704 -1.770 8.021 242 HD1 TYR 29 2HD TYR 29 6.133 -1.808 4.245 243 HD2 TYR 29 1HD TYR 29 8.308 -3.888 7.252 244 HE1 TYR 29 2HE TYR 29 8.233 -1.178 3.147 245 HE2 TYR 29 1HE TYR 29 10.422 -3.264 6.160 246 HH TYR 29 HH TYR 29 10.640 -0.889 3.800 247 HB2 TYR 29 2HB TYR 29 5.983 -4.052 7.216 248 HB3 TYR 29 1HB TYR 29 5.106 -3.661 5.735 249 H PHE 30 H PHE 30 3.677 -2.101 5.116 250 HA PHE 30 HA PHE 30 4.718 -0.038 3.639 251 HD1 PHE 30 1HD PHE 30 5.146 -0.040 2.065 252 HD2 PHE 30 2HD PHE 30 1.578 -2.210 1.221 253 HE1 PHE 30 1HE PHE 30 6.011 -0.582 -0.165 254 HE2 PHE 30 2HE PHE 30 2.440 -2.748 -1.017 255 HZ PHE 30 HZ PHE 30 4.661 -1.938 -1.710 256 HB2 PHE 30 2HB PHE 30 2.350 -1.685 3.583 257 HB3 PHE 30 1HB PHE 30 1.958 -0.050 3.069 258 H LYS 31 H LYS 31 2.255 0.144 6.168 259 HA LYS 31 HA LYS 31 1.639 2.884 5.710 260 HB2 LYS 31 2HB LYS 31 0.094 1.394 6.901 261 HB3 LYS 31 1HB LYS 31 1.268 1.219 8.204 262 HG2 LYS 31 2HG LYS 31 0.832 3.989 7.817 263 HG3 LYS 31 1HG LYS 31 -0.744 3.198 7.867 264 HD2 LYS 31 2HD LYS 31 1.346 2.537 9.906 265 HD3 LYS 31 1HD LYS 31 0.361 3.990 10.080 266 HE2 LYS 31 2HE LYS 31 -1.543 2.818 10.497 267 HE3 LYS 31 1HE LYS 31 -1.059 1.461 9.480 268 HZ1 LYS 31 3HZ LYS 31 -1.127 1.139 12.009 269 HZ2 LYS 31 1HZ LYS 31 0.329 2.001 12.028 270 HZ3 LYS 31 2HZ LYS 31 0.217 0.549 11.164 271 H LEU 32 H LEU 32 3.927 1.176 7.760 272 HA LEU 32 HA LEU 32 4.785 3.417 9.258 273 HG LEU 32 HG LEU 32 5.535 2.717 11.096 274 HB2 LEU 32 2HB LEU 32 5.448 0.641 9.038 275 HB3 LEU 32 1HB LEU 32 6.928 1.579 9.004 276 HD11 LEU 32 1HD1 LEU 32 3.851 1.158 11.338 277 HD12 LEU 32 2HD1 LEU 32 5.075 0.570 12.465 278 HD13 LEU 32 3HD1 LEU 32 4.893 -0.192 10.884 279 HD21 LEU 32 3HD2 LEU 32 7.963 2.050 10.877 280 HD22 LEU 32 1HD2 LEU 32 7.473 0.435 11.385 281 HD23 LEU 32 2HD2 LEU 32 7.235 1.810 12.465 282 H TYR 33 H TYR 33 5.497 2.287 6.065 283 HA TYR 33 HA TYR 33 7.939 3.784 5.782 284 HD1 TYR 33 2HD TYR 33 6.031 4.208 2.253 285 HD2 TYR 33 1HD TYR 33 9.744 2.433 3.346 286 HE1 TYR 33 2HE TYR 33 7.091 5.220 0.280 287 HE2 TYR 33 1HE TYR 33 10.813 3.444 1.374 288 HH TYR 33 HH TYR 33 9.283 5.853 -0.515 289 HB2 TYR 33 2HB TYR 33 7.785 1.799 4.472 290 HB3 TYR 33 1HB TYR 33 6.195 2.247 3.851 291 H ALA 34 H ALA 34 4.710 3.991 4.289 292 HA ALA 34 HA ALA 34 5.100 6.443 3.008 293 HB1 ALA 34 1HB ALA 34 3.261 5.348 2.209 294 HB2 ALA 34 2HB ALA 34 2.483 6.516 3.276 295 HB3 ALA 34 3HB ALA 34 2.720 4.852 3.815 296 H ASN 35 H ASN 35 4.277 5.703 6.314 297 HA ASN 35 HA ASN 35 3.446 8.392 6.942 298 HB2 ASN 35 2HB ASN 35 3.864 5.888 8.552 299 HB3 ASN 35 1HB ASN 35 3.606 7.439 9.345 300 HD21 ASN 35 1HD2 ASN 35 1.845 5.487 9.825 301 HD22 ASN 35 2HD2 ASN 35 0.341 5.801 9.036 302 H ALA 36 H ALA 36 6.386 6.521 7.076 303 HA ALA 36 HA ALA 36 7.743 8.549 8.676 304 HB1 ALA 36 1HB ALA 36 9.635 7.019 8.668 305 HB2 ALA 36 2HB ALA 36 8.792 5.961 7.537 306 HB3 ALA 36 3HB ALA 36 8.162 6.190 9.169 307 H LYS 37 H LYS 37 8.301 6.927 5.541 308 HA LYS 37 HA LYS 37 10.335 8.614 4.655 309 HB2 LYS 37 2HB LYS 37 8.445 6.722 3.364 310 HB3 LYS 37 1HB LYS 37 9.246 7.882 2.312 311 HG2 LYS 37 2HG LYS 37 10.530 5.874 2.336 312 HG3 LYS 37 1HG LYS 37 11.427 7.113 3.218 313 HD2 LYS 37 2HD LYS 37 9.670 5.610 4.965 314 HD3 LYS 37 1HD LYS 37 10.800 4.558 4.111 315 HE2 LYS 37 2HE LYS 37 12.445 6.577 4.857 316 HE3 LYS 37 1HE LYS 37 11.292 6.580 6.190 317 HZ1 LYS 37 3HZ LYS 37 11.786 3.977 5.976 318 HZ2 LYS 37 1HZ LYS 37 12.671 5.009 6.985 319 HZ3 LYS 37 2HZ LYS 37 13.277 4.590 5.462 320 H THR 38 H THR 38 6.912 8.696 3.627 321 HA THR 38 HA THR 38 7.283 11.559 3.030 322 HB THR 38 HB THR 38 5.693 11.377 1.281 323 HG1 THR 38 1HG THR 38 4.065 10.124 1.650 324 HG21 THR 38 3HG2 THR 38 7.850 10.372 0.677 325 HG22 THR 38 1HG2 THR 38 6.497 9.640 -0.181 326 HG23 THR 38 2HG2 THR 38 7.238 8.797 1.177 327 H VAL 39 H VAL 39 4.426 12.021 2.675 328 HA VAL 39 HA VAL 39 3.680 12.132 5.509 329 HB VAL 39 HB VAL 39 2.362 13.621 3.240 330 HG11 VAL 39 1HG1 VAL 39 0.993 13.586 5.179 331 HG12 VAL 39 2HG1 VAL 39 1.764 15.172 5.132 332 HG13 VAL 39 3HG1 VAL 39 2.363 13.933 6.235 333 HG21 VAL 39 3HG2 VAL 39 4.918 14.134 4.620 334 HG22 VAL 39 1HG2 VAL 39 3.835 15.517 4.456 335 HG23 VAL 39 2HG2 VAL 39 4.367 14.637 3.023 336 H GLU 40 H GLU 40 1.387 11.832 6.063 337 HA GLU 40 HA GLU 40 0.279 9.576 4.564 338 HB2 GLU 40 2HB GLU 40 0.712 9.438 7.055 339 HB3 GLU 40 1HB GLU 40 -0.604 10.585 7.265 340 HG2 GLU 40 2HG GLU 40 -1.891 8.803 5.790 341 HG3 GLU 40 1HG GLU 40 -0.675 7.730 6.480 342 H GLY 41 H GLY 41 -1.305 9.926 3.176 343 HA2 GLY 41 2HA GLY 41 -3.263 12.048 3.776 344 HA3 GLY 41 1HA GLY 41 -2.568 11.894 2.164 345 H VAL 42 H VAL 42 -4.314 11.308 0.968 346 HA VAL 42 HA VAL 42 -6.379 9.601 1.837 347 HB VAL 42 HB VAL 42 -6.927 9.337 -0.584 348 HG11 VAL 42 1HG1 VAL 42 -7.928 11.370 -0.645 349 HG12 VAL 42 2HG1 VAL 42 -6.430 12.236 -0.311 350 HG13 VAL 42 3HG1 VAL 42 -7.317 11.472 1.007 351 HG21 VAL 42 3HG2 VAL 42 -4.230 10.474 -0.840 352 HG22 VAL 42 1HG2 VAL 42 -5.438 11.146 -1.930 353 HG23 VAL 42 2HG2 VAL 42 -5.120 9.405 -1.925 354 H TRP 43 H TRP 43 -6.844 7.431 1.152 355 HA TRP 43 HA TRP 43 -4.448 5.861 0.516 356 HD1 TRP 43 HD TRP 43 -4.565 7.240 3.987 357 HE1 TRP 43 1HE TRP 43 -2.263 6.741 5.026 358 HE3 TRP 43 3HE TRP 43 -3.686 2.693 1.843 359 HZ2 TRP 43 2HZ TRP 43 -0.326 4.687 4.942 360 HZ3 TRP 43 3HZ TRP 43 -1.587 1.522 2.370 361 HH2 TRP 43 HH TRP 43 0.059 2.500 3.889 362 HB2 TRP 43 2HB TRP 43 -6.354 5.611 2.781 363 HB3 TRP 43 1HB TRP 43 -5.734 4.119 2.076 364 H THR 44 H THR 44 -4.787 3.884 -0.547 365 HA THR 44 HA THR 44 -7.423 3.122 -1.427 366 HB THR 44 HB THR 44 -5.786 3.377 -3.806 367 HG1 THR 44 1HG THR 44 -4.970 5.211 -2.705 368 HG21 THR 44 3HG2 THR 44 -8.440 3.327 -3.281 369 HG22 THR 44 1HG2 THR 44 -7.722 3.868 -4.799 370 HG23 THR 44 2HG2 THR 44 -8.174 5.047 -3.569 371 H TYR 45 H TYR 45 -7.334 1.112 -2.762 372 HA TYR 45 HA TYR 45 -4.815 -0.350 -2.467 373 HD1 TYR 45 2HD TYR 45 -3.916 -2.020 -0.711 374 HD2 TYR 45 1HD TYR 45 -7.526 -3.703 -2.203 375 HE1 TYR 45 2HE TYR 45 -2.874 -4.245 -0.699 376 HE2 TYR 45 1HE TYR 45 -6.495 -5.936 -2.195 377 HH TYR 45 HH TYR 45 -3.536 -6.589 -0.632 378 HB2 TYR 45 2HB TYR 45 -6.243 -0.876 -0.508 379 HB3 TYR 45 1HB TYR 45 -7.492 -1.459 -1.603 380 H LYS 46 H LYS 46 -4.504 -2.057 -3.900 381 HA LYS 46 HA LYS 46 -6.459 -2.231 -6.098 382 HB2 LYS 46 2HB LYS 46 -3.479 -2.516 -6.455 383 HB3 LYS 46 1HB LYS 46 -4.698 -2.329 -7.692 384 HG2 LYS 46 2HG LYS 46 -4.723 -0.105 -5.855 385 HG3 LYS 46 1HG LYS 46 -3.137 -0.332 -6.594 386 HD2 LYS 46 2HD LYS 46 -3.997 -0.080 -8.764 387 HD3 LYS 46 1HD LYS 46 -5.664 -0.307 -8.223 388 HE2 LYS 46 2HE LYS 46 -4.896 1.856 -6.760 389 HE3 LYS 46 1HE LYS 46 -3.993 2.105 -8.252 390 HZ1 LYS 46 3HZ LYS 46 -6.197 1.692 -9.410 391 HZ2 LYS 46 1HZ LYS 46 -6.030 3.162 -8.587 392 HZ3 LYS 46 2HZ LYS 46 -6.919 1.904 -7.889 393 H ASP 47 H ASP 47 -7.194 -4.212 -6.481 394 HA ASP 47 HA ASP 47 -5.936 -6.466 -5.131 395 HB2 ASP 47 2HB ASP 47 -8.639 -5.927 -6.267 396 HB3 ASP 47 1HB ASP 47 -8.100 -7.605 -6.156 397 H GLU 48 H GLU 48 -4.825 -5.217 -7.612 398 HA GLU 48 HA GLU 48 -5.197 -7.265 -9.633 399 HB2 GLU 48 2HB GLU 48 -3.801 -4.630 -9.489 400 HB3 GLU 48 1HB GLU 48 -3.251 -5.796 -10.686 401 HG2 GLU 48 2HG GLU 48 -5.224 -5.723 -11.864 402 HG3 GLU 48 1HG GLU 48 -6.155 -5.153 -10.484 403 H THR 49 H THR 49 -2.876 -6.327 -7.208 404 HA THR 49 HA THR 49 -1.618 -8.848 -7.179 405 HB THR 49 HB THR 49 0.699 -7.625 -7.833 406 HG1 THR 49 1HG THR 49 0.451 -6.111 -9.289 407 HG21 THR 49 3HG2 THR 49 0.818 -9.038 -9.570 408 HG22 THR 49 1HG2 THR 49 -0.751 -8.554 -10.202 409 HG23 THR 49 2HG2 THR 49 -0.659 -9.692 -8.857 410 H LYS 50 H LYS 50 -2.772 -7.003 -5.343 411 HA LYS 50 HA LYS 50 -2.433 -6.176 -3.251 412 HB2 LYS 50 2HB LYS 50 -0.101 -7.991 -3.643 413 HB3 LYS 50 1HB LYS 50 -0.065 -6.894 -2.268 414 HG2 LYS 50 2HG LYS 50 -1.213 -8.432 -1.156 415 HG3 LYS 50 1HG LYS 50 -2.598 -8.003 -2.164 416 HD2 LYS 50 2HD LYS 50 -2.555 -10.205 -2.672 417 HD3 LYS 50 1HD LYS 50 -1.315 -9.696 -3.823 418 HE2 LYS 50 2HE LYS 50 -0.254 -11.442 -2.770 419 HE3 LYS 50 1HE LYS 50 0.297 -10.077 -1.802 420 HZ1 LYS 50 3HZ LYS 50 -0.739 -12.263 -0.742 421 HZ2 LYS 50 1HZ LYS 50 -2.164 -11.375 -0.943 422 HZ3 LYS 50 2HZ LYS 50 -0.896 -10.743 -0.020 423 H THR 51 H THR 51 -2.389 -4.034 -4.147 424 HA THR 51 HA THR 51 0.204 -2.747 -3.736 425 HB THR 51 HB THR 51 -1.516 -2.271 -6.178 426 HG1 THR 51 1HG THR 51 -0.015 -3.366 -7.280 427 HG21 THR 51 3HG2 THR 51 -0.537 -0.242 -6.036 428 HG22 THR 51 1HG2 THR 51 0.788 -1.112 -6.806 429 HG23 THR 51 2HG2 THR 51 0.811 -0.830 -5.066 430 H PHE 52 H PHE 52 0.033 -1.006 -2.495 431 HA PHE 52 HA PHE 52 -2.627 0.083 -1.952 432 HD1 PHE 52 2HD PHE 52 -0.297 -2.245 -0.481 433 HD2 PHE 52 1HD PHE 52 -2.977 0.477 1.393 434 HE1 PHE 52 2HE PHE 52 -1.136 -4.062 0.950 435 HE2 PHE 52 1HE PHE 52 -3.820 -1.334 2.830 436 HZ PHE 52 HZ PHE 52 -2.900 -3.607 2.608 437 HB2 PHE 52 2HB PHE 52 0.015 0.292 -0.512 438 HB3 PHE 52 1HB PHE 52 -1.379 1.287 -0.080 439 H THR 53 H THR 53 -2.947 2.408 -1.861 440 HA THR 53 HA THR 53 -0.998 4.002 -3.355 441 HB THR 53 HB THR 53 -3.932 4.071 -4.040 442 HG1 THR 53 1HG THR 53 -1.836 2.635 -5.293 443 HG21 THR 53 3HG2 THR 53 -2.201 4.797 -6.174 444 HG22 THR 53 1HG2 THR 53 -1.779 5.740 -4.746 445 HG23 THR 53 2HG2 THR 53 -3.432 5.764 -5.361 446 H VAL 54 H VAL 54 -0.540 5.718 -2.169 447 HA VAL 54 HA VAL 54 -2.721 7.159 -0.829 448 HB VAL 54 HB VAL 54 -1.769 5.836 0.945 449 HG11 VAL 54 1HG1 VAL 54 0.903 6.917 0.066 450 HG12 VAL 54 2HG1 VAL 54 0.345 5.251 -0.065 451 HG13 VAL 54 3HG1 VAL 54 0.624 5.964 1.524 452 HG21 VAL 54 3HG2 VAL 54 -1.970 7.590 2.297 453 HG22 VAL 54 1HG2 VAL 54 -1.712 8.679 0.935 454 HG23 VAL 54 2HG2 VAL 54 -0.337 8.112 1.881 455 H THR 55 H THR 55 -2.477 9.379 -0.824 456 HA THR 55 HA THR 55 0.075 10.484 -1.721 457 HB THR 55 HB THR 55 -0.981 10.366 -3.803 458 HG1 THR 55 1HG THR 55 -1.388 12.505 -4.310 459 HG21 THR 55 3HG2 THR 55 -3.218 10.768 -4.304 460 HG22 THR 55 1HG2 THR 55 -3.509 11.548 -2.755 461 HG23 THR 55 2HG2 THR 55 -3.244 9.813 -2.821 462 H GLU 56 H GLU 56 0.419 12.665 -1.167 463 HA GLU 56 HA GLU 56 -1.624 14.003 0.420 464 HB2 GLU 56 2HB GLU 56 0.201 12.506 1.746 465 HB3 GLU 56 1HB GLU 56 1.056 14.041 1.660 466 HG2 GLU 56 2HG GLU 56 -1.763 13.835 2.663 467 HG3 GLU 56 1HG GLU 56 -0.366 13.609 3.714 Start of MODEL 6 1 HA THR 1 HA THR 1 3.794 -12.596 -3.168 2 HB THR 1 HB THR 1 1.801 -11.202 -1.459 3 HG1 THR 1 1HG THR 1 1.379 -12.984 -0.435 4 H1 THR 1 1HT THR 1 5.118 -13.209 -1.374 5 H2 THR 1 2HT THR 1 3.566 -13.894 -1.116 6 H3 THR 1 3HT THR 1 4.047 -12.497 -0.241 7 HG21 THR 1 3HG2 THR 1 1.127 -10.953 -3.600 8 HG22 THR 1 1HG2 THR 1 0.352 -12.502 -3.266 9 HG23 THR 1 2HG2 THR 1 1.886 -12.454 -4.134 10 H THR 2 H THR 2 4.699 -10.871 -4.081 11 HA THR 2 HA THR 2 5.995 -8.878 -2.536 12 HB THR 2 HB THR 2 6.805 -9.659 -4.745 13 HG1 THR 2 1HG THR 2 6.269 -6.908 -4.395 14 HG21 THR 2 3HG2 THR 2 4.534 -8.038 -5.870 15 HG22 THR 2 1HG2 THR 2 4.684 -9.795 -5.943 16 HG23 THR 2 2HG2 THR 2 5.851 -8.776 -6.788 17 H TYR 3 H TYR 3 5.265 -6.998 -1.792 18 HA TYR 3 HA TYR 3 2.595 -6.121 -2.624 19 HD1 TYR 3 2HD TYR 3 0.838 -4.467 -0.719 20 HD2 TYR 3 1HD TYR 3 2.871 -7.999 0.494 21 HE1 TYR 3 2HE TYR 3 -1.289 -5.418 0.063 22 HE2 TYR 3 1HE TYR 3 0.751 -8.961 1.279 23 HH TYR 3 HH TYR 3 -2.233 -7.751 0.443 24 HB2 TYR 3 2HB TYR 3 4.107 -6.054 -0.114 25 HB3 TYR 3 1HB TYR 3 3.295 -4.533 -0.488 26 H LYS 4 H LYS 4 2.196 -4.077 -3.412 27 HA LYS 4 HA LYS 4 4.580 -2.445 -3.999 28 HB2 LYS 4 2HB LYS 4 2.101 -2.584 -5.705 29 HB3 LYS 4 1HB LYS 4 3.623 -1.811 -6.102 30 HG2 LYS 4 2HG LYS 4 4.655 -3.789 -6.606 31 HG3 LYS 4 1HG LYS 4 3.615 -4.732 -5.535 32 HD2 LYS 4 2HD LYS 4 1.729 -4.186 -7.160 33 HD3 LYS 4 1HD LYS 4 2.989 -3.634 -8.265 34 HE2 LYS 4 2HE LYS 4 4.020 -5.823 -8.236 35 HE3 LYS 4 1HE LYS 4 2.851 -6.387 -7.043 36 HZ1 LYS 4 3HZ LYS 4 1.820 -7.134 -8.877 37 HZ2 LYS 4 1HZ LYS 4 2.541 -5.997 -9.903 38 HZ3 LYS 4 2HZ LYS 4 1.218 -5.554 -8.945 39 H LEU 5 H LEU 5 4.548 -0.357 -3.425 40 HA LEU 5 HA LEU 5 1.980 0.858 -2.672 41 HG LEU 5 HG LEU 5 3.644 3.154 -1.023 42 HB2 LEU 5 2HB LEU 5 2.974 0.241 -0.595 43 HB3 LEU 5 1HB LEU 5 4.543 0.863 -1.088 44 HD11 LEU 5 1HD1 LEU 5 1.201 2.044 -1.297 45 HD12 LEU 5 2HD1 LEU 5 1.483 3.678 -0.702 46 HD13 LEU 5 3HD1 LEU 5 1.220 2.360 0.438 47 HD21 LEU 5 3HD2 LEU 5 2.863 2.131 1.626 48 HD22 LEU 5 1HD2 LEU 5 4.046 3.361 1.185 49 HD23 LEU 5 2HD2 LEU 5 4.461 1.653 1.056 50 H ILE 6 H ILE 6 1.673 2.889 -3.357 51 HA ILE 6 HA ILE 6 3.972 4.343 -4.481 52 HB ILE 6 HB ILE 6 2.952 3.624 -6.443 53 HG12 ILE 6 2HG1 ILE 6 1.434 6.182 -5.913 54 HG13 ILE 6 1HG1 ILE 6 3.155 6.139 -6.278 55 HG21 ILE 6 1HG2 ILE 6 1.020 2.538 -6.134 56 HG22 ILE 6 2HG2 ILE 6 0.269 4.093 -6.488 57 HG23 ILE 6 3HG2 ILE 6 0.522 3.598 -4.815 58 HD11 ILE 6 3HD1 ILE 6 1.398 4.724 -8.172 59 HD12 ILE 6 1HD1 ILE 6 2.811 5.738 -8.467 60 HD13 ILE 6 2HD1 ILE 6 1.248 6.481 -8.126 61 H LEU 7 H LEU 7 4.101 6.451 -3.953 62 HA LEU 7 HA LEU 7 1.766 7.674 -2.646 63 HG LEU 7 HG LEU 7 2.473 6.373 -0.688 64 HB2 LEU 7 2HB LEU 7 4.656 8.015 -1.847 65 HB3 LEU 7 1HB LEU 7 3.295 8.887 -1.151 66 HD11 LEU 7 1HD1 LEU 7 4.149 5.003 -1.356 67 HD12 LEU 7 2HD1 LEU 7 4.751 5.367 0.263 68 HD13 LEU 7 3HD1 LEU 7 5.394 6.230 -1.136 69 HD21 LEU 7 3HD2 LEU 7 3.711 8.486 0.800 70 HD22 LEU 7 1HD2 LEU 7 4.211 6.925 1.443 71 HD23 LEU 7 2HD2 LEU 7 2.500 7.318 1.320 72 H ASN 8 H ASN 8 1.205 9.667 -3.310 73 HA ASN 8 HA ASN 8 3.073 11.074 -5.103 74 HB2 ASN 8 2HB ASN 8 0.072 11.124 -5.418 75 HB3 ASN 8 1HB ASN 8 1.288 11.702 -6.551 76 HD21 ASN 8 1HD2 ASN 8 1.212 10.473 -8.283 77 HD22 ASN 8 2HD2 ASN 8 1.154 8.737 -8.297 78 H LEU 9 H LEU 9 3.738 12.855 -4.110 79 HA LEU 9 HA LEU 9 1.869 14.298 -2.360 80 HG LEU 9 HG LEU 9 4.074 12.413 -1.366 81 HB2 LEU 9 2HB LEU 9 4.880 14.439 -2.553 82 HB3 LEU 9 1HB LEU 9 3.896 15.420 -1.480 83 HD11 LEU 9 1HD1 LEU 9 5.853 14.440 -0.391 84 HD12 LEU 9 2HD1 LEU 9 5.979 12.685 -0.263 85 HD13 LEU 9 3HD1 LEU 9 5.102 13.598 0.966 86 HD21 LEU 9 3HD2 LEU 9 2.084 12.762 -0.347 87 HD22 LEU 9 1HD2 LEU 9 2.443 14.449 0.024 88 HD23 LEU 9 2HD2 LEU 9 3.124 13.163 1.020 89 H LYS 10 H LYS 10 2.425 16.758 -2.309 90 HA LYS 10 HA LYS 10 2.009 17.713 -5.006 91 HB2 LYS 10 2HB LYS 10 0.994 18.484 -2.611 92 HB3 LYS 10 1HB LYS 10 2.281 19.665 -2.810 93 HG2 LYS 10 2HG LYS 10 0.757 20.832 -3.952 94 HG3 LYS 10 1HG LYS 10 1.105 19.711 -5.269 95 HD2 LYS 10 2HD LYS 10 -1.143 19.423 -5.198 96 HD3 LYS 10 1HD LYS 10 -0.716 18.263 -3.938 97 HE2 LYS 10 2HE LYS 10 -2.400 19.516 -2.945 98 HE3 LYS 10 1HE LYS 10 -0.937 20.281 -2.334 99 HZ1 LYS 10 3HZ LYS 10 -2.908 21.664 -3.371 100 HZ2 LYS 10 1HZ LYS 10 -2.068 21.342 -4.805 101 HZ3 LYS 10 2HZ LYS 10 -1.300 22.150 -3.536 102 H GLN 11 H GLN 11 4.723 16.954 -3.390 103 HA GLN 11 HA GLN 11 6.395 18.497 -5.096 104 HB2 GLN 11 2HB GLN 11 7.562 19.802 -3.407 105 HB3 GLN 11 1HB GLN 11 5.858 20.227 -3.425 106 HG2 GLN 11 2HG GLN 11 5.739 18.401 -1.527 107 HG3 GLN 11 1HG GLN 11 7.442 18.810 -1.351 108 HE21 GLN 11 1HE2 GLN 11 6.936 19.611 0.740 109 HE22 GLN 11 2HE2 GLN 11 6.228 21.173 0.935 110 H ALA 12 H ALA 12 5.948 15.728 -4.359 111 HA ALA 12 HA ALA 12 8.608 14.836 -4.249 112 HB1 ALA 12 1HB ALA 12 8.082 13.604 -1.915 113 HB2 ALA 12 2HB ALA 12 7.233 15.125 -1.653 114 HB3 ALA 12 3HB ALA 12 8.957 15.132 -2.036 115 H LYS 13 H LYS 13 8.091 13.414 -5.842 116 HA LYS 13 HA LYS 13 5.889 11.546 -5.425 117 HB2 LYS 13 2HB LYS 13 6.485 12.859 -7.641 118 HB3 LYS 13 1HB LYS 13 7.586 11.511 -7.882 119 HG2 LYS 13 2HG LYS 13 4.872 10.717 -7.129 120 HG3 LYS 13 1HG LYS 13 4.980 11.577 -8.665 121 HD2 LYS 13 2HD LYS 13 6.581 9.135 -7.894 122 HD3 LYS 13 1HD LYS 13 5.182 9.151 -8.968 123 HE2 LYS 13 2HE LYS 13 6.770 11.059 -10.103 124 HE3 LYS 13 1HE LYS 13 7.969 9.930 -9.472 125 HZ1 LYS 13 3HZ LYS 13 6.592 8.152 -10.612 126 HZ2 LYS 13 1HZ LYS 13 7.493 9.180 -11.614 127 HZ3 LYS 13 2HZ LYS 13 5.823 9.409 -11.438 128 H GLU 14 H GLU 14 6.236 9.566 -4.664 129 HA GLU 14 HA GLU 14 8.825 8.281 -5.146 130 HB2 GLU 14 2HB GLU 14 7.574 7.950 -2.459 131 HB3 GLU 14 1HB GLU 14 9.261 7.798 -2.929 132 HG2 GLU 14 2HG GLU 14 9.559 10.137 -2.964 133 HG3 GLU 14 1HG GLU 14 7.821 10.430 -2.871 134 H GLU 15 H GLU 15 8.691 6.212 -5.715 135 HA GLU 15 HA GLU 15 6.302 4.671 -5.039 136 HB2 GLU 15 2HB GLU 15 7.329 5.118 -7.844 137 HB3 GLU 15 1HB GLU 15 6.210 3.831 -7.418 138 HG2 GLU 15 2HG GLU 15 4.471 5.205 -7.444 139 HG3 GLU 15 1HG GLU 15 5.307 6.411 -6.466 140 H ALA 16 H ALA 16 6.771 2.596 -4.526 141 HA ALA 16 HA ALA 16 9.134 1.302 -5.584 142 HB1 ALA 16 1HB ALA 16 8.917 1.660 -2.603 143 HB2 ALA 16 2HB ALA 16 9.944 2.650 -3.638 144 HB3 ALA 16 3HB ALA 16 10.235 0.916 -3.506 145 H ILE 17 H ILE 17 9.385 -0.935 -4.469 146 HA ILE 17 HA ILE 17 6.746 -2.056 -3.822 147 HB ILE 17 HB ILE 17 8.680 -3.508 -5.612 148 HG12 ILE 17 2HG1 ILE 17 8.038 -1.429 -6.750 149 HG13 ILE 17 1HG1 ILE 17 7.299 -2.827 -7.528 150 HG21 ILE 17 1HG2 ILE 17 5.765 -3.860 -4.953 151 HG22 ILE 17 2HG2 ILE 17 7.100 -4.935 -4.536 152 HG23 ILE 17 3HG2 ILE 17 6.604 -4.754 -6.219 153 HD11 ILE 17 3HD1 ILE 17 6.031 -0.511 -6.677 154 HD12 ILE 17 1HD1 ILE 17 5.568 -1.738 -5.497 155 HD13 ILE 17 2HD1 ILE 17 5.266 -2.006 -7.214 156 H LYS 18 H LYS 18 6.757 -3.822 -2.429 157 HA LYS 18 HA LYS 18 9.375 -4.573 -1.310 158 HB2 LYS 18 2HB LYS 18 6.953 -4.476 0.443 159 HB3 LYS 18 1HB LYS 18 8.648 -4.350 0.883 160 HG2 LYS 18 2HG LYS 18 7.531 -2.172 -0.785 161 HG3 LYS 18 1HG LYS 18 6.990 -2.271 0.891 162 HD2 LYS 18 2HD LYS 18 8.873 -0.841 0.884 163 HD3 LYS 18 1HD LYS 18 9.430 -2.382 1.541 164 HE2 LYS 18 2HE LYS 18 10.344 -2.981 -0.645 165 HE3 LYS 18 1HE LYS 18 9.773 -1.451 -1.310 166 HZ1 LYS 18 3HZ LYS 18 11.205 -0.566 0.731 167 HZ2 LYS 18 1HZ LYS 18 11.866 -0.828 -0.804 168 HZ3 LYS 18 2HZ LYS 18 12.058 -1.992 0.409 169 H GLU 19 H GLU 19 9.091 -6.594 0.151 170 HA GLU 19 HA GLU 19 7.313 -8.498 -1.229 171 HB2 GLU 19 2HB GLU 19 10.000 -9.169 -0.027 172 HB3 GLU 19 1HB GLU 19 8.992 -10.199 -1.032 173 HG2 GLU 19 2HG GLU 19 9.382 -8.015 -2.634 174 HG3 GLU 19 1HG GLU 19 10.922 -8.153 -1.785 175 H LEU 20 H LEU 20 5.765 -9.206 0.069 176 HA LEU 20 HA LEU 20 6.429 -9.877 2.844 177 HG LEU 20 HG LEU 20 6.459 -7.203 2.470 178 HB2 LEU 20 2HB LEU 20 3.987 -8.300 2.019 179 HB3 LEU 20 1HB LEU 20 4.341 -8.868 3.643 180 HD11 LEU 20 1HD1 LEU 20 3.666 -6.284 2.512 181 HD12 LEU 20 2HD1 LEU 20 5.050 -5.685 1.598 182 HD13 LEU 20 3HD1 LEU 20 4.830 -5.205 3.281 183 HD21 LEU 20 3HD2 LEU 20 5.175 -6.418 4.976 184 HD22 LEU 20 1HD2 LEU 20 6.868 -6.760 4.623 185 HD23 LEU 20 2HD2 LEU 20 5.754 -8.083 4.961 186 H VAL 21 H VAL 21 4.015 -10.763 3.732 187 HA VAL 21 HA VAL 21 3.410 -12.945 1.848 188 HB VAL 21 HB VAL 21 2.763 -14.289 3.820 189 HG11 VAL 21 1HG1 VAL 21 5.571 -13.191 3.923 190 HG12 VAL 21 2HG1 VAL 21 5.002 -14.491 2.875 191 HG13 VAL 21 3HG1 VAL 21 5.034 -14.717 4.623 192 HG21 VAL 21 3HG2 VAL 21 2.153 -12.632 5.409 193 HG22 VAL 21 1HG2 VAL 21 3.744 -11.876 5.331 194 HG23 VAL 21 2HG2 VAL 21 3.561 -13.470 6.060 195 H ASP 22 H ASP 22 1.948 -10.895 4.367 196 HA ASP 22 HA ASP 22 -0.629 -11.205 2.976 197 HB2 ASP 22 2HB ASP 22 -1.710 -10.961 5.244 198 HB3 ASP 22 1HB ASP 22 -0.840 -12.475 4.989 199 H ALA 23 H ALA 23 -2.208 -9.414 3.840 200 HA ALA 23 HA ALA 23 -0.921 -6.904 3.241 201 HB1 ALA 23 1HB ALA 23 -2.978 -6.095 2.740 202 HB2 ALA 23 2HB ALA 23 -3.767 -6.962 4.058 203 HB3 ALA 23 3HB ALA 23 -3.329 -7.815 2.578 204 H ALA 24 H ALA 24 -2.371 -8.460 6.046 205 HA ALA 24 HA ALA 24 -2.637 -6.333 7.780 206 HB1 ALA 24 1HB ALA 24 -3.388 -8.424 8.547 207 HB2 ALA 24 2HB ALA 24 -2.020 -8.031 9.588 208 HB3 ALA 24 3HB ALA 24 -1.821 -9.184 8.269 209 H THR 25 H THR 25 0.249 -8.311 7.183 210 HA THR 25 HA THR 25 1.930 -6.711 8.836 211 HB THR 25 HB THR 25 2.357 -8.950 6.890 212 HG1 THR 25 1HG THR 25 2.961 -8.497 9.616 213 HG21 THR 25 3HG2 THR 25 4.625 -7.388 8.104 214 HG22 THR 25 1HG2 THR 25 4.206 -7.424 6.389 215 HG23 THR 25 2HG2 THR 25 4.754 -8.897 7.197 216 H ALA 26 H ALA 26 1.278 -6.909 5.357 217 HA ALA 26 HA ALA 26 3.208 -5.157 4.421 218 HB1 ALA 26 1HB ALA 26 1.667 -4.678 2.559 219 HB2 ALA 26 2HB ALA 26 0.349 -5.430 3.463 220 HB3 ALA 26 3HB ALA 26 1.722 -6.403 2.927 221 H GLU 27 H GLU 27 -0.082 -4.437 5.482 222 HA GLU 27 HA GLU 27 -0.102 -1.691 5.325 223 HB2 GLU 27 2HB GLU 27 -1.410 -3.638 7.214 224 HB3 GLU 27 1HB GLU 27 -1.682 -1.905 7.367 225 HG2 GLU 27 2HG GLU 27 -2.517 -1.854 5.050 226 HG3 GLU 27 1HG GLU 27 -2.304 -3.603 4.960 227 H LYS 28 H LYS 28 1.301 -3.795 7.768 228 HA LYS 28 HA LYS 28 1.844 -1.802 9.701 229 HB2 LYS 28 2HB LYS 28 1.915 -4.351 9.984 230 HB3 LYS 28 1HB LYS 28 3.518 -4.271 9.263 231 HG2 LYS 28 2HG LYS 28 3.007 -2.449 11.528 232 HG3 LYS 28 1HG LYS 28 3.082 -4.172 11.897 233 HD2 LYS 28 2HD LYS 28 5.195 -2.709 10.325 234 HD3 LYS 28 1HD LYS 28 5.270 -2.948 12.073 235 HE2 LYS 28 2HE LYS 28 6.410 -4.806 11.496 236 HE3 LYS 28 1HE LYS 28 4.793 -5.475 11.271 237 HZ1 LYS 28 3HZ LYS 28 5.048 -5.559 9.060 238 HZ2 LYS 28 1HZ LYS 28 6.703 -5.502 9.405 239 HZ3 LYS 28 2HZ LYS 28 5.881 -4.088 8.975 240 H TYR 29 H TYR 29 3.811 -3.231 7.133 241 HA TYR 29 HA TYR 29 6.046 -1.498 7.576 242 HD1 TYR 29 2HD TYR 29 6.267 -1.243 3.860 243 HD2 TYR 29 1HD TYR 29 8.629 -3.537 6.552 244 HE1 TYR 29 2HE TYR 29 8.299 -0.459 2.731 245 HE2 TYR 29 1HE TYR 29 10.676 -2.757 5.428 246 HH TYR 29 HH TYR 29 11.234 -1.878 3.026 247 HB2 TYR 29 2HB TYR 29 6.306 -3.755 6.609 248 HB3 TYR 29 1HB TYR 29 5.358 -3.254 5.210 249 H PHE 30 H PHE 30 3.891 -1.888 4.794 250 HA PHE 30 HA PHE 30 4.560 0.289 3.316 251 HD1 PHE 30 1HD PHE 30 5.077 -0.347 1.903 252 HD2 PHE 30 2HD PHE 30 1.177 -1.927 1.232 253 HE1 PHE 30 1HE PHE 30 5.796 -1.188 -0.285 254 HE2 PHE 30 2HE PHE 30 1.897 -2.766 -0.960 255 HZ PHE 30 HZ PHE 30 4.212 -2.399 -1.722 256 HB2 PHE 30 2HB PHE 30 2.176 -1.402 3.601 257 HB3 PHE 30 1HB PHE 30 1.849 0.179 2.906 258 H LYS 31 H LYS 31 2.348 0.273 6.085 259 HA LYS 31 HA LYS 31 1.574 3.000 5.749 260 HB2 LYS 31 2HB LYS 31 0.214 1.323 6.989 261 HB3 LYS 31 1HB LYS 31 1.442 1.316 8.253 262 HG2 LYS 31 2HG LYS 31 0.914 3.463 8.955 263 HG3 LYS 31 1HG LYS 31 0.118 3.872 7.433 264 HD2 LYS 31 2HD LYS 31 -1.487 1.901 8.152 265 HD3 LYS 31 1HD LYS 31 -0.900 2.317 9.761 266 HE2 LYS 31 2HE LYS 31 -2.011 4.279 9.801 267 HE3 LYS 31 1HE LYS 31 -1.706 4.601 8.094 268 HZ1 LYS 31 3HZ LYS 31 -3.925 4.220 8.018 269 HZ2 LYS 31 1HZ LYS 31 -3.926 3.179 9.354 270 HZ3 LYS 31 2HZ LYS 31 -3.406 2.619 7.844 271 H LEU 32 H LEU 32 3.936 1.340 7.808 272 HA LEU 32 HA LEU 32 4.791 3.549 9.286 273 HG LEU 32 HG LEU 32 5.760 2.856 11.029 274 HB2 LEU 32 2HB LEU 32 5.584 0.840 8.918 275 HB3 LEU 32 1HB LEU 32 7.016 1.840 8.790 276 HD11 LEU 32 1HD1 LEU 32 5.194 -0.056 10.748 277 HD12 LEU 32 2HD1 LEU 32 4.184 1.231 11.414 278 HD13 LEU 32 3HD1 LEU 32 5.552 0.612 12.342 279 HD21 LEU 32 3HD2 LEU 32 7.625 2.049 12.197 280 HD22 LEU 32 1HD2 LEU 32 8.193 2.268 10.542 281 HD23 LEU 32 2HD2 LEU 32 7.798 0.654 11.132 282 H TYR 33 H TYR 33 5.520 2.572 6.024 283 HA TYR 33 HA TYR 33 7.816 4.262 5.732 284 HD1 TYR 33 1HD TYR 33 5.778 4.646 2.206 285 HD2 TYR 33 2HD TYR 33 9.643 3.240 3.289 286 HE1 TYR 33 1HE TYR 33 6.743 5.821 0.272 287 HE2 TYR 33 2HE TYR 33 10.619 4.409 1.355 288 HH TYR 33 HH TYR 33 9.556 6.721 -0.122 289 HB2 TYR 33 2HB TYR 33 7.716 2.332 4.332 290 HB3 TYR 33 1HB TYR 33 6.093 2.741 3.773 291 H ALA 34 H ALA 34 4.505 4.368 4.415 292 HA ALA 34 HA ALA 34 4.756 6.935 3.283 293 HB1 ALA 34 1HB ALA 34 2.369 5.278 4.037 294 HB2 ALA 34 2HB ALA 34 3.056 5.545 2.436 295 HB3 ALA 34 3HB ALA 34 2.226 6.860 3.269 296 H ASN 35 H ASN 35 4.176 5.904 6.524 297 HA ASN 35 HA ASN 35 2.956 8.369 7.375 298 HB2 ASN 35 2HB ASN 35 2.666 6.017 8.419 299 HB3 ASN 35 1HB ASN 35 4.198 6.350 9.227 300 HD21 ASN 35 1HD2 ASN 35 4.296 8.362 10.490 301 HD22 ASN 35 2HD2 ASN 35 2.877 8.866 11.337 302 H ALA 36 H ALA 36 6.166 6.914 7.475 303 HA ALA 36 HA ALA 36 7.240 9.222 8.897 304 HB1 ALA 36 1HB ALA 36 9.294 7.971 9.057 305 HB2 ALA 36 2HB ALA 36 8.677 6.752 7.942 306 HB3 ALA 36 3HB ALA 36 7.943 6.942 9.533 307 H LYS 37 H LYS 37 8.235 7.410 5.985 308 HA LYS 37 HA LYS 37 9.898 9.410 4.962 309 HB2 LYS 37 2HB LYS 37 8.734 6.900 3.988 310 HB3 LYS 37 1HB LYS 37 9.057 8.069 2.718 311 HG2 LYS 37 2HG LYS 37 11.062 7.017 2.753 312 HG3 LYS 37 1HG LYS 37 11.380 8.241 3.982 313 HD2 LYS 37 2HD LYS 37 11.473 6.722 5.643 314 HD3 LYS 37 1HD LYS 37 10.134 5.778 4.989 315 HE2 LYS 37 2HE LYS 37 11.959 4.344 4.791 316 HE3 LYS 37 1HE LYS 37 11.804 5.043 3.180 317 HZ1 LYS 37 3HZ LYS 37 13.908 5.381 5.154 318 HZ2 LYS 37 1HZ LYS 37 13.471 6.778 4.306 319 HZ3 LYS 37 2HZ LYS 37 13.993 5.406 3.465 320 H THR 38 H THR 38 6.441 8.914 4.625 321 HA THR 38 HA THR 38 6.302 11.459 3.148 322 HB THR 38 HB THR 38 4.182 9.442 2.639 323 HG1 THR 38 1HG THR 38 6.066 8.181 2.482 324 HG21 THR 38 3HG2 THR 38 5.653 10.879 0.503 325 HG22 THR 38 1HG2 THR 38 4.582 11.808 1.555 326 HG23 THR 38 2HG2 THR 38 3.944 10.454 0.620 327 H VAL 39 H VAL 39 3.374 11.372 3.076 328 HA VAL 39 HA VAL 39 2.797 11.739 5.942 329 HB VAL 39 HB VAL 39 1.262 13.564 5.319 330 HG11 VAL 39 1HG1 VAL 39 4.117 13.913 4.416 331 HG12 VAL 39 2HG1 VAL 39 3.487 14.140 6.048 332 HG13 VAL 39 3HG1 VAL 39 2.997 15.235 4.753 333 HG21 VAL 39 3HG2 VAL 39 2.050 14.418 2.840 334 HG22 VAL 39 1HG2 VAL 39 0.549 13.559 3.196 335 HG23 VAL 39 2HG2 VAL 39 1.959 12.668 2.628 336 H GLU 40 H GLU 40 0.275 11.961 6.196 337 HA GLU 40 HA GLU 40 -0.839 9.525 5.021 338 HB2 GLU 40 2HB GLU 40 -2.543 9.705 6.801 339 HB3 GLU 40 1HB GLU 40 -0.905 9.660 7.444 340 HG2 GLU 40 2HG GLU 40 -1.495 12.366 7.071 341 HG3 GLU 40 1HG GLU 40 -2.942 11.644 7.778 342 H GLY 41 H GLY 41 -1.924 9.816 3.187 343 HA2 GLY 41 2HA GLY 41 -3.799 12.097 3.048 344 HA3 GLY 41 1HA GLY 41 -2.838 11.590 1.663 345 H VAL 42 H VAL 42 -4.599 11.129 0.350 346 HA VAL 42 HA VAL 42 -6.746 9.453 1.210 347 HB VAL 42 HB VAL 42 -5.935 10.029 -1.647 348 HG11 VAL 42 1HG1 VAL 42 -7.592 8.220 -1.266 349 HG12 VAL 42 2HG1 VAL 42 -8.236 9.579 -2.181 350 HG13 VAL 42 3HG1 VAL 42 -8.643 9.396 -0.473 351 HG21 VAL 42 3HG2 VAL 42 -7.953 11.753 -1.178 352 HG22 VAL 42 1HG2 VAL 42 -6.253 12.187 -1.042 353 HG23 VAL 42 2HG2 VAL 42 -7.170 11.759 0.402 354 H TRP 43 H TRP 43 -6.361 7.486 1.798 355 HA TRP 43 HA TRP 43 -4.320 5.851 0.644 356 HD1 TRP 43 HD TRP 43 -4.542 7.430 3.873 357 HE1 TRP 43 1HE TRP 43 -2.330 7.003 5.123 358 HE3 TRP 43 3HE TRP 43 -3.682 2.623 2.372 359 HZ2 TRP 43 2HZ TRP 43 -0.467 4.904 5.425 360 HZ3 TRP 43 3HZ TRP 43 -1.661 1.475 3.185 361 HH2 TRP 43 HH TRP 43 -0.089 2.593 4.681 362 HB2 TRP 43 2HB TRP 43 -6.329 5.622 2.819 363 HB3 TRP 43 1HB TRP 43 -5.631 4.130 2.185 364 H THR 44 H THR 44 -4.621 3.868 -0.433 365 HA THR 44 HA THR 44 -7.233 3.096 -1.378 366 HB THR 44 HB THR 44 -5.333 3.532 -3.611 367 HG1 THR 44 1HG THR 44 -5.102 5.509 -2.657 368 HG21 THR 44 3HG2 THR 44 -7.964 4.609 -3.973 369 HG22 THR 44 1HG2 THR 44 -8.051 2.957 -3.365 370 HG23 THR 44 2HG2 THR 44 -7.150 3.306 -4.841 371 H TYR 45 H TYR 45 -7.282 0.973 -2.130 372 HA TYR 45 HA TYR 45 -4.711 -0.452 -2.164 373 HD1 TYR 45 1HD TYR 45 -3.539 -2.037 -0.979 374 HD2 TYR 45 2HD TYR 45 -7.439 -3.720 -0.694 375 HE1 TYR 45 1HE TYR 45 -2.559 -4.290 -0.950 376 HE2 TYR 45 2HE TYR 45 -6.465 -5.977 -0.661 377 HH TYR 45 HH TYR 45 -4.142 -6.974 0.033 378 HB2 TYR 45 2HB TYR 45 -5.806 -0.804 0.017 379 HB3 TYR 45 1HB TYR 45 -7.231 -1.429 -0.809 380 H LYS 46 H LYS 46 -4.703 -2.444 -3.337 381 HA LYS 46 HA LYS 46 -6.898 -2.706 -5.283 382 HB2 LYS 46 2HB LYS 46 -3.929 -2.924 -5.809 383 HB3 LYS 46 1HB LYS 46 -5.177 -3.354 -6.970 384 HG2 LYS 46 2HG LYS 46 -5.625 -0.700 -5.967 385 HG3 LYS 46 1HG LYS 46 -3.984 -0.858 -6.596 386 HD2 LYS 46 2HD LYS 46 -5.185 -2.033 -8.593 387 HD3 LYS 46 1HD LYS 46 -6.594 -1.155 -8.002 388 HE2 LYS 46 2HE LYS 46 -4.148 0.452 -8.215 389 HE3 LYS 46 1HE LYS 46 -4.757 -0.164 -9.756 390 HZ1 LYS 46 3HZ LYS 46 -5.758 1.932 -9.379 391 HZ2 LYS 46 1HZ LYS 46 -6.203 1.529 -7.795 392 HZ3 LYS 46 2HZ LYS 46 -6.959 0.773 -9.110 393 H ASP 47 H ASP 47 -7.811 -4.646 -5.243 394 HA ASP 47 HA ASP 47 -6.434 -6.839 -3.895 395 HB2 ASP 47 2HB ASP 47 -9.289 -6.245 -4.569 396 HB3 ASP 47 1HB ASP 47 -8.800 -7.917 -4.279 397 H GLU 48 H GLU 48 -5.526 -6.092 -6.500 398 HA GLU 48 HA GLU 48 -6.392 -8.391 -8.113 399 HB2 GLU 48 2HB GLU 48 -5.026 -5.829 -8.957 400 HB3 GLU 48 1HB GLU 48 -5.407 -7.164 -10.040 401 HG2 GLU 48 2HG GLU 48 -7.734 -6.821 -9.806 402 HG3 GLU 48 1HG GLU 48 -7.501 -5.719 -8.442 403 H THR 49 H THR 49 -3.658 -6.769 -6.681 404 HA THR 49 HA THR 49 -2.083 -9.170 -6.834 405 HB THR 49 HB THR 49 -0.145 -7.962 -7.949 406 HG1 THR 49 1HG THR 49 -2.246 -6.190 -8.635 407 HG21 THR 49 3HG2 THR 49 -0.696 -8.648 -10.054 408 HG22 THR 49 1HG2 THR 49 -2.375 -8.128 -9.902 409 HG23 THR 49 2HG2 THR 49 -1.826 -9.589 -9.079 410 H LYS 50 H LYS 50 -3.183 -7.327 -4.826 411 HA LYS 50 HA LYS 50 -2.588 -6.384 -2.841 412 HB2 LYS 50 2HB LYS 50 -0.204 -8.078 -3.486 413 HB3 LYS 50 1HB LYS 50 -0.155 -7.009 -2.091 414 HG2 LYS 50 2HG LYS 50 -0.897 -8.943 -1.128 415 HG3 LYS 50 1HG LYS 50 -2.431 -8.158 -1.507 416 HD2 LYS 50 2HD LYS 50 -2.717 -9.501 -3.460 417 HD3 LYS 50 1HD LYS 50 -1.081 -10.147 -3.323 418 HE2 LYS 50 2HE LYS 50 -1.881 -11.828 -2.114 419 HE3 LYS 50 1HE LYS 50 -2.367 -10.675 -0.872 420 HZ1 LYS 50 3HZ LYS 50 -4.450 -10.357 -2.218 421 HZ2 LYS 50 1HZ LYS 50 -4.290 -11.864 -1.462 422 HZ3 LYS 50 2HZ LYS 50 -3.990 -11.712 -3.120 423 H THR 51 H THR 51 -2.740 -4.323 -4.036 424 HA THR 51 HA THR 51 -0.123 -2.977 -4.089 425 HB THR 51 HB THR 51 -2.236 -1.893 -5.851 426 HG1 THR 51 1HG THR 51 -0.834 -4.248 -6.568 427 HG21 THR 51 3HG2 THR 51 -0.536 -1.004 -6.973 428 HG22 THR 51 1HG2 THR 51 0.367 -2.519 -6.991 429 HG23 THR 51 2HG2 THR 51 0.447 -1.461 -5.581 430 H PHE 52 H PHE 52 0.004 -0.969 -3.222 431 HA PHE 52 HA PHE 52 -2.430 0.096 -1.946 432 HD1 PHE 52 1HD PHE 52 -0.757 -2.566 -0.525 433 HD2 PHE 52 2HD PHE 52 -2.148 1.013 1.309 434 HE1 PHE 52 1HE PHE 52 -1.940 -3.901 1.172 435 HE2 PHE 52 2HE PHE 52 -3.333 -0.316 3.010 436 HZ PHE 52 HZ PHE 52 -3.230 -2.776 2.941 437 HB2 PHE 52 2HB PHE 52 0.330 -0.317 -0.900 438 HB3 PHE 52 1HB PHE 52 -0.533 1.129 -0.368 439 H THR 53 H THR 53 -2.734 2.329 -1.982 440 HA THR 53 HA THR 53 -0.740 3.974 -3.340 441 HB THR 53 HB THR 53 -3.579 4.241 -4.242 442 HG1 THR 53 1HG THR 53 -1.726 2.306 -5.155 443 HG21 THR 53 3HG2 THR 53 -1.003 5.252 -5.064 444 HG22 THR 53 1HG2 THR 53 -2.624 5.786 -5.507 445 HG23 THR 53 2HG2 THR 53 -1.857 4.469 -6.393 446 H VAL 54 H VAL 54 -0.447 5.770 -2.203 447 HA VAL 54 HA VAL 54 -2.754 7.031 -0.901 448 HB VAL 54 HB VAL 54 -1.647 5.697 0.834 449 HG11 VAL 54 1HG1 VAL 54 0.619 6.126 1.528 450 HG12 VAL 54 2HG1 VAL 54 0.786 7.398 0.313 451 HG13 VAL 54 3HG1 VAL 54 0.608 5.717 -0.188 452 HG21 VAL 54 3HG2 VAL 54 -2.496 7.386 2.034 453 HG22 VAL 54 1HG2 VAL 54 -1.903 8.607 0.910 454 HG23 VAL 54 2HG2 VAL 54 -0.832 7.957 2.149 455 H THR 55 H THR 55 -2.846 9.139 -1.339 456 HA THR 55 HA THR 55 -0.350 10.583 -1.859 457 HB THR 55 HB THR 55 -1.025 10.232 -4.058 458 HG1 THR 55 1HG THR 55 -0.776 12.355 -4.091 459 HG21 THR 55 3HG2 THR 55 -3.857 10.951 -3.449 460 HG22 THR 55 1HG2 THR 55 -3.272 9.297 -3.421 461 HG23 THR 55 2HG2 THR 55 -3.204 10.233 -4.914 462 H GLU 56 H GLU 56 -0.523 12.907 -1.628 463 HA GLU 56 HA GLU 56 -2.095 13.636 0.621 464 HB2 GLU 56 2HB GLU 56 0.136 14.588 0.183 465 HB3 GLU 56 1HB GLU 56 -0.492 15.387 -1.251 466 HG2 GLU 56 2HG GLU 56 -0.442 17.043 0.393 467 HG3 GLU 56 1HG GLU 56 -2.135 16.553 0.300 Start of MODEL 7 1 HA THR 1 HA THR 1 3.539 -12.274 -2.591 2 HB THR 1 HB THR 1 2.911 -11.140 0.082 3 HG1 THR 1 1HG THR 1 2.475 -13.880 -0.485 4 H1 THR 1 1HT THR 1 5.590 -13.083 -1.972 5 H2 THR 1 2HT THR 1 4.468 -13.774 -0.872 6 H3 THR 1 3HT THR 1 5.457 -12.460 -0.378 7 HG21 THR 1 3HG2 THR 1 1.511 -11.219 -2.187 8 HG22 THR 1 1HG2 THR 1 0.765 -11.198 -0.589 9 HG23 THR 1 2HG2 THR 1 0.959 -12.725 -1.452 10 H THR 2 H THR 2 4.755 -10.820 -3.737 11 HA THR 2 HA THR 2 6.203 -8.685 -2.553 12 HB THR 2 HB THR 2 6.748 -9.627 -4.771 13 HG1 THR 2 1HG THR 2 7.057 -7.597 -5.796 14 HG21 THR 2 3HG2 THR 2 4.352 -8.146 -5.813 15 HG22 THR 2 1HG2 THR 2 4.404 -9.891 -5.573 16 HG23 THR 2 2HG2 THR 2 5.500 -9.126 -6.726 17 H TYR 3 H TYR 3 5.430 -6.874 -1.707 18 HA TYR 3 HA TYR 3 2.751 -5.976 -2.515 19 HD1 TYR 3 2HD TYR 3 0.832 -4.698 -0.698 20 HD2 TYR 3 1HD TYR 3 3.126 -8.020 0.642 21 HE1 TYR 3 2HE TYR 3 -1.235 -5.856 -0.041 22 HE2 TYR 3 1HE TYR 3 1.065 -9.189 1.298 23 HH TYR 3 HH TYR 3 -1.356 -9.137 0.663 24 HB2 TYR 3 2HB TYR 3 4.210 -6.001 0.052 25 HB3 TYR 3 1HB TYR 3 3.285 -4.531 -0.274 26 H LYS 4 H LYS 4 2.506 -4.107 -3.564 27 HA LYS 4 HA LYS 4 4.872 -2.377 -3.843 28 HB2 LYS 4 2HB LYS 4 3.585 -3.549 -5.842 29 HB3 LYS 4 1HB LYS 4 2.534 -2.151 -5.678 30 HG2 LYS 4 2HG LYS 4 4.230 -0.657 -6.245 31 HG3 LYS 4 1HG LYS 4 5.502 -1.837 -5.927 32 HD2 LYS 4 2HD LYS 4 5.130 -2.965 -7.916 33 HD3 LYS 4 1HD LYS 4 3.479 -2.362 -8.067 34 HE2 LYS 4 2HE LYS 4 4.137 -0.557 -9.203 35 HE3 LYS 4 1HE LYS 4 5.445 -0.221 -8.069 36 HZ1 LYS 4 3HZ LYS 4 6.942 -1.293 -9.339 37 HZ2 LYS 4 1HZ LYS 4 5.846 -0.962 -10.586 38 HZ3 LYS 4 2HZ LYS 4 5.851 -2.483 -9.848 39 H LEU 5 H LEU 5 4.739 -0.184 -3.533 40 HA LEU 5 HA LEU 5 2.160 0.917 -2.669 41 HG LEU 5 HG LEU 5 3.586 3.325 -1.156 42 HB2 LEU 5 2HB LEU 5 3.279 0.369 -0.617 43 HB3 LEU 5 1HB LEU 5 4.770 1.118 -1.172 44 HD11 LEU 5 1HD1 LEU 5 1.442 1.868 0.372 45 HD12 LEU 5 2HD1 LEU 5 1.297 2.319 -1.327 46 HD13 LEU 5 3HD1 LEU 5 1.475 3.568 -0.095 47 HD21 LEU 5 3HD2 LEU 5 4.957 2.258 0.766 48 HD22 LEU 5 1HD2 LEU 5 3.394 2.097 1.564 49 HD23 LEU 5 2HD2 LEU 5 3.984 3.691 1.094 50 H ILE 6 H ILE 6 1.823 3.050 -3.146 51 HA ILE 6 HA ILE 6 3.996 4.512 -4.472 52 HB ILE 6 HB ILE 6 2.821 3.736 -6.348 53 HG12 ILE 6 2HG1 ILE 6 1.465 6.375 -5.766 54 HG13 ILE 6 1HG1 ILE 6 3.151 6.240 -6.254 55 HG21 ILE 6 1HG2 ILE 6 0.138 4.410 -6.110 56 HG22 ILE 6 2HG2 ILE 6 0.564 3.718 -4.546 57 HG23 ILE 6 3HG2 ILE 6 0.837 2.795 -6.022 58 HD11 ILE 6 3HD1 ILE 6 2.483 6.324 -8.358 59 HD12 ILE 6 1HD1 ILE 6 0.789 6.260 -7.867 60 HD13 ILE 6 2HD1 ILE 6 1.688 4.767 -8.132 61 H LEU 7 H LEU 7 4.151 6.598 -3.865 62 HA LEU 7 HA LEU 7 1.882 7.757 -2.397 63 HG LEU 7 HG LEU 7 2.778 6.405 -0.620 64 HB2 LEU 7 2HB LEU 7 4.823 8.073 -1.823 65 HB3 LEU 7 1HB LEU 7 3.560 9.050 -1.083 66 HD11 LEU 7 1HD1 LEU 7 4.749 5.310 -0.989 67 HD12 LEU 7 2HD1 LEU 7 4.962 5.759 0.705 68 HD13 LEU 7 3HD1 LEU 7 5.735 6.709 -0.566 69 HD21 LEU 7 3HD2 LEU 7 3.208 8.769 0.798 70 HD22 LEU 7 1HD2 LEU 7 4.211 7.560 1.601 71 HD23 LEU 7 2HD2 LEU 7 2.483 7.279 1.402 72 H ASN 8 H ASN 8 1.210 9.730 -2.986 73 HA ASN 8 HA ASN 8 2.878 11.252 -4.874 74 HB2 ASN 8 2HB ASN 8 -0.134 10.992 -4.992 75 HB3 ASN 8 1HB ASN 8 0.882 11.893 -6.112 76 HD21 ASN 8 1HD2 ASN 8 -0.876 9.967 -6.975 77 HD22 ASN 8 2HD2 ASN 8 0.016 8.616 -7.600 78 H LEU 9 H LEU 9 3.610 12.512 -3.097 79 HA LEU 9 HA LEU 9 1.591 14.121 -1.723 80 HG LEU 9 HG LEU 9 5.177 14.820 -1.933 81 HB2 LEU 9 2HB LEU 9 3.277 14.703 -0.150 82 HB3 LEU 9 1HB LEU 9 3.378 12.973 -0.417 83 HD11 LEU 9 1HD1 LEU 9 5.416 15.472 0.398 84 HD12 LEU 9 2HD1 LEU 9 6.843 14.598 -0.158 85 HD13 LEU 9 3HD1 LEU 9 5.654 13.787 0.858 86 HD21 LEU 9 3HD2 LEU 9 4.855 11.981 -1.594 87 HD22 LEU 9 1HD2 LEU 9 6.474 12.483 -1.128 88 HD23 LEU 9 2HD2 LEU 9 5.857 12.867 -2.738 89 H LYS 10 H LYS 10 2.100 16.449 -1.391 90 HA LYS 10 HA LYS 10 2.139 17.840 -3.766 91 HB2 LYS 10 2HB LYS 10 1.497 18.586 -1.366 92 HB3 LYS 10 1HB LYS 10 3.177 19.089 -1.243 93 HG2 LYS 10 2HG LYS 10 1.941 20.990 -1.883 94 HG3 LYS 10 1HG LYS 10 2.828 20.457 -3.316 95 HD2 LYS 10 2HD LYS 10 0.596 19.098 -3.746 96 HD3 LYS 10 1HD LYS 10 -0.092 20.367 -2.733 97 HE2 LYS 10 2HE LYS 10 1.715 21.379 -4.796 98 HE3 LYS 10 1HE LYS 10 0.319 20.519 -5.444 99 HZ1 LYS 10 3HZ LYS 10 -1.085 22.120 -4.757 100 HZ2 LYS 10 1HZ LYS 10 0.295 23.097 -4.762 101 HZ3 LYS 10 2HZ LYS 10 -0.243 22.413 -3.317 102 H GLN 11 H GLN 11 4.828 16.763 -1.826 103 HA GLN 11 HA GLN 11 6.827 18.444 -2.895 104 HB2 GLN 11 2HB GLN 11 7.142 15.628 -1.839 105 HB3 GLN 11 1HB GLN 11 8.416 16.829 -2.001 106 HG2 GLN 11 2HG GLN 11 6.005 17.272 -0.272 107 HG3 GLN 11 1HG GLN 11 7.452 16.457 0.316 108 HE21 GLN 11 1HE2 GLN 11 7.812 18.093 1.830 109 HE22 GLN 11 2HE2 GLN 11 8.427 19.643 1.375 110 H ALA 12 H ALA 12 5.804 15.156 -3.787 111 HA ALA 12 HA ALA 12 6.127 15.500 -6.536 112 HB1 ALA 12 1HB ALA 12 8.598 14.884 -5.106 113 HB2 ALA 12 2HB ALA 12 8.356 15.490 -6.744 114 HB3 ALA 12 3HB ALA 12 8.241 13.758 -6.417 115 H LYS 13 H LYS 13 6.732 13.071 -7.499 116 HA LYS 13 HA LYS 13 4.815 11.298 -6.125 117 HB2 LYS 13 2HB LYS 13 5.306 11.944 -8.977 118 HB3 LYS 13 1HB LYS 13 4.979 10.253 -8.619 119 HG2 LYS 13 2HG LYS 13 2.871 10.800 -7.632 120 HG3 LYS 13 1HG LYS 13 3.208 12.525 -7.756 121 HD2 LYS 13 2HD LYS 13 3.495 11.282 -10.329 122 HD3 LYS 13 1HD LYS 13 1.924 10.883 -9.642 123 HE2 LYS 13 2HE LYS 13 2.706 13.688 -9.341 124 HE3 LYS 13 1HE LYS 13 2.488 13.166 -11.010 125 HZ1 LYS 13 3HZ LYS 13 0.360 13.693 -10.545 126 HZ2 LYS 13 1HZ LYS 13 0.529 13.461 -8.879 127 HZ3 LYS 13 2HZ LYS 13 0.319 12.133 -9.903 128 H GLU 14 H GLU 14 5.843 9.785 -5.001 129 HA GLU 14 HA GLU 14 8.132 8.423 -6.260 130 HB2 GLU 14 2HB GLU 14 7.943 8.576 -3.284 131 HB3 GLU 14 1HB GLU 14 9.358 8.409 -4.301 132 HG2 GLU 14 2HG GLU 14 9.347 10.713 -4.847 133 HG3 GLU 14 1HG GLU 14 7.746 10.941 -4.159 134 H GLU 15 H GLU 15 8.291 6.205 -5.960 135 HA GLU 15 HA GLU 15 6.240 4.842 -4.407 136 HB2 GLU 15 2HB GLU 15 5.545 3.433 -6.294 137 HB3 GLU 15 1HB GLU 15 5.182 5.128 -6.590 138 HG2 GLU 15 2HG GLU 15 6.074 4.637 -8.601 139 HG3 GLU 15 1HG GLU 15 7.575 5.016 -7.756 140 H ALA 16 H ALA 16 6.641 2.495 -4.268 141 HA ALA 16 HA ALA 16 9.250 1.541 -5.078 142 HB1 ALA 16 1HB ALA 16 9.892 2.695 -3.080 143 HB2 ALA 16 2HB ALA 16 9.923 0.962 -2.750 144 HB3 ALA 16 3HB ALA 16 8.581 1.945 -2.168 145 H ILE 17 H ILE 17 9.602 -0.734 -4.005 146 HA ILE 17 HA ILE 17 7.032 -2.153 -3.832 147 HB ILE 17 HB ILE 17 7.850 -2.418 -6.124 148 HG12 ILE 17 2HG1 ILE 17 8.126 -4.986 -6.058 149 HG13 ILE 17 1HG1 ILE 17 7.936 -4.827 -4.317 150 HG21 ILE 17 1HG2 ILE 17 9.964 -2.954 -6.708 151 HG22 ILE 17 2HG2 ILE 17 10.189 -4.027 -5.328 152 HG23 ILE 17 3HG2 ILE 17 10.337 -2.283 -5.120 153 HD11 ILE 17 3HD1 ILE 17 5.863 -5.391 -5.632 154 HD12 ILE 17 1HD1 ILE 17 5.926 -3.747 -6.264 155 HD13 ILE 17 2HD1 ILE 17 5.738 -4.018 -4.533 156 H LYS 18 H LYS 18 6.945 -3.678 -2.283 157 HA LYS 18 HA LYS 18 9.466 -4.484 -0.990 158 HB2 LYS 18 2HB LYS 18 6.901 -4.214 0.547 159 HB3 LYS 18 1HB LYS 18 8.550 -4.251 1.154 160 HG2 LYS 18 2HG LYS 18 7.666 -1.994 -0.587 161 HG3 LYS 18 1HG LYS 18 7.213 -2.027 1.116 162 HD2 LYS 18 2HD LYS 18 9.174 -0.970 1.406 163 HD3 LYS 18 1HD LYS 18 9.847 -2.598 1.295 164 HE2 LYS 18 2HE LYS 18 10.753 -2.223 -0.741 165 HE3 LYS 18 1HE LYS 18 9.408 -1.216 -1.269 166 HZ1 LYS 18 3HZ LYS 18 11.600 -0.377 0.550 167 HZ2 LYS 18 1HZ LYS 18 10.296 0.594 0.080 168 HZ3 LYS 18 2HZ LYS 18 11.425 0.079 -1.069 169 H GLU 19 H GLU 19 9.032 -6.466 0.493 170 HA GLU 19 HA GLU 19 7.231 -8.333 -0.904 171 HB2 GLU 19 2HB GLU 19 10.089 -8.701 -0.055 172 HB3 GLU 19 1HB GLU 19 9.020 -10.085 -0.217 173 HG2 GLU 19 2HG GLU 19 8.723 -9.712 -2.526 174 HG3 GLU 19 1HG GLU 19 9.440 -8.106 -2.433 175 H LEU 20 H LEU 20 5.901 -9.502 0.355 176 HA LEU 20 HA LEU 20 6.523 -10.041 3.118 177 HG LEU 20 HG LEU 20 6.756 -7.809 3.950 178 HB2 LEU 20 2HB LEU 20 4.708 -7.874 2.329 179 HB3 LEU 20 1HB LEU 20 4.037 -8.979 3.514 180 HD11 LEU 20 1HD1 LEU 20 4.647 -6.153 3.477 181 HD12 LEU 20 2HD1 LEU 20 6.036 -5.763 4.487 182 HD13 LEU 20 3HD1 LEU 20 4.556 -6.371 5.223 183 HD21 LEU 20 3HD2 LEU 20 6.288 -9.436 5.534 184 HD22 LEU 20 1HD2 LEU 20 4.582 -9.000 5.623 185 HD23 LEU 20 2HD2 LEU 20 5.798 -7.947 6.345 186 H VAL 21 H VAL 21 4.023 -10.776 4.049 187 HA VAL 21 HA VAL 21 3.410 -12.999 2.230 188 HB VAL 21 HB VAL 21 2.177 -13.772 4.495 189 HG11 VAL 21 1HG1 VAL 21 3.993 -15.265 4.838 190 HG12 VAL 21 2HG1 VAL 21 5.131 -14.161 4.062 191 HG13 VAL 21 3HG1 VAL 21 3.884 -14.964 3.105 192 HG21 VAL 21 3HG2 VAL 21 4.660 -12.517 5.605 193 HG22 VAL 21 1HG2 VAL 21 3.245 -13.139 6.453 194 HG23 VAL 21 2HG2 VAL 21 3.142 -11.618 5.571 195 H ASP 22 H ASP 22 1.613 -11.052 4.643 196 HA ASP 22 HA ASP 22 -0.703 -11.186 2.825 197 HB2 ASP 22 2HB ASP 22 -0.474 -11.420 5.786 198 HB3 ASP 22 1HB ASP 22 -1.911 -10.632 5.134 199 H ALA 23 H ALA 23 -2.340 -9.333 3.489 200 HA ALA 23 HA ALA 23 -0.911 -6.874 2.991 201 HB1 ALA 23 1HB ALA 23 -2.837 -6.064 2.156 202 HB2 ALA 23 2HB ALA 23 -3.820 -6.767 3.439 203 HB3 ALA 23 3HB ALA 23 -3.277 -7.770 2.093 204 H ALA 24 H ALA 24 -2.682 -8.355 5.638 205 HA ALA 24 HA ALA 24 -3.123 -6.170 7.277 206 HB1 ALA 24 1HB ALA 24 -2.719 -9.063 7.711 207 HB2 ALA 24 2HB ALA 24 -4.005 -7.999 8.280 208 HB3 ALA 24 3HB ALA 24 -2.452 -8.030 9.115 209 H THR 25 H THR 25 -0.236 -8.222 7.055 210 HA THR 25 HA THR 25 1.295 -6.614 8.842 211 HB THR 25 HB THR 25 1.945 -8.852 6.938 212 HG1 THR 25 1HG THR 25 2.165 -9.974 8.742 213 HG21 THR 25 3HG2 THR 25 4.254 -8.847 7.635 214 HG22 THR 25 1HG2 THR 25 3.993 -7.382 8.583 215 HG23 THR 25 2HG2 THR 25 3.865 -7.328 6.821 216 H ALA 26 H ALA 26 1.058 -6.912 5.315 217 HA ALA 26 HA ALA 26 3.091 -5.200 4.563 218 HB1 ALA 26 1HB ALA 26 1.712 -6.512 2.980 219 HB2 ALA 26 2HB ALA 26 1.849 -4.818 2.504 220 HB3 ALA 26 3HB ALA 26 0.367 -5.405 3.263 221 H GLU 27 H GLU 27 -0.286 -4.418 5.239 222 HA GLU 27 HA GLU 27 -0.242 -1.676 4.981 223 HB2 GLU 27 2HB GLU 27 -2.281 -2.996 5.357 224 HB3 GLU 27 1HB GLU 27 -1.752 -3.353 6.998 225 HG2 GLU 27 2HG GLU 27 -1.817 -0.503 6.456 226 HG3 GLU 27 1HG GLU 27 -3.385 -1.272 6.206 227 H LYS 28 H LYS 28 0.853 -3.711 7.627 228 HA LYS 28 HA LYS 28 1.228 -1.625 9.515 229 HB2 LYS 28 2HB LYS 28 1.403 -4.390 9.554 230 HB3 LYS 28 1HB LYS 28 3.069 -3.878 9.791 231 HG2 LYS 28 2HG LYS 28 0.713 -2.999 11.447 232 HG3 LYS 28 1HG LYS 28 1.911 -4.209 11.911 233 HD2 LYS 28 2HD LYS 28 2.577 -1.346 11.245 234 HD3 LYS 28 1HD LYS 28 2.293 -1.935 12.885 235 HE2 LYS 28 2HE LYS 28 4.111 -3.737 12.023 236 HE3 LYS 28 1HE LYS 28 4.609 -2.317 11.100 237 HZ1 LYS 28 3HZ LYS 28 5.423 -2.821 13.579 238 HZ2 LYS 28 1HZ LYS 28 4.063 -1.869 13.918 239 HZ3 LYS 28 2HZ LYS 28 5.303 -1.257 12.943 240 H TYR 29 H TYR 29 3.426 -3.309 7.308 241 HA TYR 29 HA TYR 29 5.681 -1.676 7.943 242 HD1 TYR 29 2HD TYR 29 6.286 -1.622 4.224 243 HD2 TYR 29 1HD TYR 29 8.287 -3.820 7.269 244 HE1 TYR 29 2HE TYR 29 8.446 -0.969 3.263 245 HE2 TYR 29 1HE TYR 29 10.460 -3.173 6.311 246 HH TYR 29 HH TYR 29 10.911 -2.089 3.337 247 HB2 TYR 29 2HB TYR 29 5.964 -3.963 7.106 248 HB3 TYR 29 1HB TYR 29 5.172 -3.517 5.595 249 H PHE 30 H PHE 30 3.795 -2.019 4.947 250 HA PHE 30 HA PHE 30 4.837 0.066 3.527 251 HD1 PHE 30 2HD PHE 30 5.342 -0.029 1.988 252 HD2 PHE 30 1HD PHE 30 1.754 -2.120 1.026 253 HE1 PHE 30 2HE PHE 30 6.286 -0.634 -0.191 254 HE2 PHE 30 1HE PHE 30 2.698 -2.717 -1.159 255 HZ PHE 30 HZ PHE 30 4.962 -1.976 -1.774 256 HB2 PHE 30 2HB PHE 30 2.442 -1.566 3.419 257 HB3 PHE 30 1HB PHE 30 2.113 0.066 2.851 258 H LYS 31 H LYS 31 2.128 0.245 5.832 259 HA LYS 31 HA LYS 31 1.632 3.001 5.411 260 HB2 LYS 31 2HB LYS 31 0.042 1.403 6.503 261 HB3 LYS 31 1HB LYS 31 1.084 1.420 7.926 262 HG2 LYS 31 2HG LYS 31 0.214 4.056 6.936 263 HG3 LYS 31 1HG LYS 31 -1.048 3.022 7.609 264 HD2 LYS 31 2HD LYS 31 0.286 2.748 9.655 265 HD3 LYS 31 1HD LYS 31 1.521 3.817 8.981 266 HE2 LYS 31 2HE LYS 31 -1.236 4.870 9.014 267 HE3 LYS 31 1HE LYS 31 -0.470 4.657 10.587 268 HZ1 LYS 31 3HZ LYS 31 0.835 6.107 8.358 269 HZ2 LYS 31 1HZ LYS 31 1.269 6.105 9.995 270 HZ3 LYS 31 2HZ LYS 31 -0.147 6.881 9.497 271 H LEU 32 H LEU 32 3.857 1.236 7.445 272 HA LEU 32 HA LEU 32 4.595 3.393 9.133 273 HG LEU 32 HG LEU 32 5.287 2.595 10.945 274 HB2 LEU 32 2HB LEU 32 5.324 0.652 8.769 275 HB3 LEU 32 1HB LEU 32 6.787 1.614 8.837 276 HD11 LEU 32 1HD1 LEU 32 4.730 0.512 12.215 277 HD12 LEU 32 2HD1 LEU 32 4.919 -0.380 10.705 278 HD13 LEU 32 3HD1 LEU 32 3.668 0.857 10.850 279 HD21 LEU 32 3HD2 LEU 32 7.774 1.884 10.648 280 HD22 LEU 32 1HD2 LEU 32 7.227 0.359 11.340 281 HD23 LEU 32 2HD2 LEU 32 7.041 1.857 12.250 282 H TYR 33 H TYR 33 5.602 2.348 5.955 283 HA TYR 33 HA TYR 33 7.962 3.962 5.853 284 HD1 TYR 33 2HD TYR 33 6.114 4.491 2.281 285 HD2 TYR 33 1HD TYR 33 9.897 2.859 3.359 286 HE1 TYR 33 2HE TYR 33 7.155 5.652 0.380 287 HE2 TYR 33 1HE TYR 33 10.946 4.018 1.459 288 HH TYR 33 HH TYR 33 9.846 6.477 -0.029 289 HB2 TYR 33 2HB TYR 33 7.959 2.077 4.423 290 HB3 TYR 33 1HB TYR 33 6.358 2.457 3.789 291 H ALA 34 H ALA 34 4.767 4.204 4.304 292 HA ALA 34 HA ALA 34 5.144 6.702 3.118 293 HB1 ALA 34 1HB ALA 34 2.757 5.097 3.884 294 HB2 ALA 34 2HB ALA 34 3.314 5.600 2.288 295 HB3 ALA 34 3HB ALA 34 2.538 6.765 3.359 296 H ASN 35 H ASN 35 4.399 5.836 6.399 297 HA ASN 35 HA ASN 35 3.477 8.452 7.155 298 HB2 ASN 35 2HB ASN 35 2.824 6.251 8.266 299 HB3 ASN 35 1HB ASN 35 4.413 6.281 9.026 300 HD21 ASN 35 1HD2 ASN 35 4.397 7.051 10.995 301 HD22 ASN 35 2HD2 ASN 35 3.336 8.267 11.612 302 H ALA 36 H ALA 36 6.521 6.760 7.070 303 HA ALA 36 HA ALA 36 7.843 8.809 8.671 304 HB1 ALA 36 1HB ALA 36 8.424 6.447 9.023 305 HB2 ALA 36 2HB ALA 36 9.815 7.402 8.515 306 HB3 ALA 36 3HB ALA 36 8.999 6.348 7.359 307 H LYS 37 H LYS 37 8.475 7.293 5.496 308 HA LYS 37 HA LYS 37 10.221 9.306 4.602 309 HB2 LYS 37 2HB LYS 37 8.860 6.975 3.436 310 HB3 LYS 37 1HB LYS 37 9.213 8.255 2.284 311 HG2 LYS 37 2HG LYS 37 11.080 6.878 2.180 312 HG3 LYS 37 1HG LYS 37 11.590 8.195 3.235 313 HD2 LYS 37 2HD LYS 37 11.584 6.876 5.115 314 HD3 LYS 37 1HD LYS 37 10.365 5.776 4.467 315 HE2 LYS 37 2HE LYS 37 12.487 4.639 4.574 316 HE3 LYS 37 1HE LYS 37 12.048 4.897 2.887 317 HZ1 LYS 37 3HZ LYS 37 13.650 6.528 2.635 318 HZ2 LYS 37 1HZ LYS 37 14.434 5.405 3.631 319 HZ3 LYS 37 2HZ LYS 37 13.785 6.819 4.296 320 H THR 38 H THR 38 6.848 8.684 3.600 321 HA THR 38 HA THR 38 6.692 11.464 2.668 322 HB THR 38 HB THR 38 4.441 9.627 2.122 323 HG1 THR 38 1HG THR 38 6.983 9.224 0.931 324 HG21 THR 38 3HG2 THR 38 5.257 10.519 -0.273 325 HG22 THR 38 1HG2 THR 38 5.867 11.808 0.764 326 HG23 THR 38 2HG2 THR 38 4.150 11.400 0.782 327 H VAL 39 H VAL 39 3.764 11.482 2.729 328 HA VAL 39 HA VAL 39 3.368 11.777 5.636 329 HB VAL 39 HB VAL 39 1.738 13.304 3.634 330 HG11 VAL 39 1HG1 VAL 39 0.819 13.748 5.651 331 HG12 VAL 39 2HG1 VAL 39 2.109 14.951 5.714 332 HG13 VAL 39 3HG1 VAL 39 2.306 13.401 6.531 333 HG21 VAL 39 3HG2 VAL 39 4.018 13.780 2.977 334 HG22 VAL 39 1HG2 VAL 39 4.463 14.112 4.650 335 HG23 VAL 39 2HG2 VAL 39 3.341 15.180 3.807 336 H GLU 40 H GLU 40 0.975 11.715 6.244 337 HA GLU 40 HA GLU 40 -0.193 9.345 4.987 338 HB2 GLU 40 2HB GLU 40 0.137 9.291 7.416 339 HB3 GLU 40 1HB GLU 40 -0.868 10.726 7.592 340 HG2 GLU 40 2HG GLU 40 -2.794 9.504 6.772 341 HG3 GLU 40 1HG GLU 40 -1.799 8.071 6.524 342 H GLY 41 H GLY 41 -1.484 9.832 3.319 343 HA2 GLY 41 2HA GLY 41 -3.547 11.889 3.775 344 HA3 GLY 41 1HA GLY 41 -2.692 11.782 2.242 345 H VAL 42 H VAL 42 -4.013 10.995 0.735 346 HA VAL 42 HA VAL 42 -6.330 9.485 1.260 347 HB VAL 42 HB VAL 42 -4.800 9.554 -1.345 348 HG11 VAL 42 1HG1 VAL 42 -7.109 9.273 -2.295 349 HG12 VAL 42 2HG1 VAL 42 -7.666 8.945 -0.652 350 HG13 VAL 42 3HG1 VAL 42 -6.482 7.877 -1.414 351 HG21 VAL 42 3HG2 VAL 42 -5.687 11.769 -0.029 352 HG22 VAL 42 1HG2 VAL 42 -7.085 11.360 -1.022 353 HG23 VAL 42 2HG2 VAL 42 -5.519 11.639 -1.778 354 H TRP 43 H TRP 43 -6.773 7.270 0.544 355 HA TRP 43 HA TRP 43 -4.460 5.510 0.438 356 HD1 TRP 43 HD TRP 43 -4.822 7.238 4.024 357 HE1 TRP 43 1HE TRP 43 -2.478 6.929 5.046 358 HE3 TRP 43 3HE TRP 43 -3.543 2.856 1.762 359 HZ2 TRP 43 2HZ TRP 43 -0.358 5.063 4.903 360 HZ3 TRP 43 3HZ TRP 43 -1.337 1.864 2.250 361 HH2 TRP 43 HH TRP 43 0.219 2.947 3.790 362 HB2 TRP 43 2HB TRP 43 -6.423 5.653 2.672 363 HB3 TRP 43 1HB TRP 43 -5.811 4.071 2.205 364 H THR 44 H THR 44 -4.757 3.904 -0.959 365 HA THR 44 HA THR 44 -7.407 2.823 -1.452 366 HB THR 44 HB THR 44 -5.930 3.478 -3.932 367 HG1 THR 44 1HG THR 44 -5.698 5.460 -3.098 368 HG21 THR 44 3HG2 THR 44 -8.196 2.395 -3.844 369 HG22 THR 44 1HG2 THR 44 -8.070 3.832 -4.861 370 HG23 THR 44 2HG2 THR 44 -8.820 3.940 -3.268 371 H TYR 45 H TYR 45 -7.155 0.701 -1.316 372 HA TYR 45 HA TYR 45 -4.561 -0.491 -1.883 373 HD1 TYR 45 2HD TYR 45 -3.352 -2.118 -0.700 374 HD2 TYR 45 1HD TYR 45 -7.144 -4.034 -0.904 375 HE1 TYR 45 2HE TYR 45 -2.235 -4.306 -0.789 376 HE2 TYR 45 1HE TYR 45 -6.037 -6.229 -0.992 377 HH TYR 45 HH TYR 45 -3.074 -6.833 -0.084 378 HB2 TYR 45 2HB TYR 45 -5.739 -1.102 0.191 379 HB3 TYR 45 1HB TYR 45 -7.076 -1.740 -0.760 380 H LYS 46 H LYS 46 -4.274 -2.271 -3.280 381 HA LYS 46 HA LYS 46 -6.378 -2.603 -5.314 382 HB2 LYS 46 2HB LYS 46 -3.496 -1.941 -5.632 383 HB3 LYS 46 1HB LYS 46 -4.197 -3.056 -6.796 384 HG2 LYS 46 2HG LYS 46 -4.446 -0.987 -7.802 385 HG3 LYS 46 1HG LYS 46 -6.030 -1.283 -7.082 386 HD2 LYS 46 2HD LYS 46 -5.595 0.203 -5.297 387 HD3 LYS 46 1HD LYS 46 -3.875 0.280 -5.685 388 HE2 LYS 46 2HE LYS 46 -4.451 2.208 -6.697 389 HE3 LYS 46 1HE LYS 46 -4.937 1.142 -8.005 390 HZ1 LYS 46 3HZ LYS 46 -6.862 2.267 -7.778 391 HZ2 LYS 46 1HZ LYS 46 -6.575 2.679 -6.164 392 HZ3 LYS 46 2HZ LYS 46 -7.152 1.138 -6.552 393 H ASP 47 H ASP 47 -7.051 -4.501 -4.227 394 HA ASP 47 HA ASP 47 -5.412 -6.640 -3.503 395 HB2 ASP 47 2HB ASP 47 -8.151 -6.090 -3.468 396 HB3 ASP 47 1HB ASP 47 -8.002 -7.535 -4.473 397 H GLU 48 H GLU 48 -6.388 -5.564 -6.617 398 HA GLU 48 HA GLU 48 -6.417 -7.867 -8.134 399 HB2 GLU 48 2HB GLU 48 -6.139 -5.055 -8.608 400 HB3 GLU 48 1HB GLU 48 -5.010 -5.922 -9.638 401 HG2 GLU 48 2HG GLU 48 -6.774 -7.201 -10.609 402 HG3 GLU 48 1HG GLU 48 -7.941 -6.571 -9.446 403 H THR 49 H THR 49 -3.670 -6.177 -6.765 404 HA THR 49 HA THR 49 -1.986 -8.466 -7.307 405 HB THR 49 HB THR 49 -0.931 -5.813 -8.229 406 HG1 THR 49 1HG THR 49 -1.584 -6.421 -10.339 407 HG21 THR 49 3HG2 THR 49 -0.263 -8.360 -9.555 408 HG22 THR 49 1HG2 THR 49 0.370 -8.113 -7.937 409 HG23 THR 49 2HG2 THR 49 0.743 -6.957 -9.214 410 H LYS 50 H LYS 50 -3.077 -6.904 -5.008 411 HA LYS 50 HA LYS 50 -2.418 -6.119 -2.974 412 HB2 LYS 50 2HB LYS 50 -0.197 -7.971 -3.767 413 HB3 LYS 50 1HB LYS 50 -0.086 -7.061 -2.266 414 HG2 LYS 50 2HG LYS 50 -1.658 -8.304 -1.238 415 HG3 LYS 50 1HG LYS 50 -2.619 -8.496 -2.705 416 HD2 LYS 50 2HD LYS 50 -0.022 -9.929 -2.165 417 HD3 LYS 50 1HD LYS 50 -1.622 -10.619 -1.880 418 HE2 LYS 50 2HE LYS 50 -1.329 -9.500 -4.552 419 HE3 LYS 50 1HE LYS 50 -0.165 -10.782 -4.217 420 HZ1 LYS 50 3HZ LYS 50 -3.110 -11.001 -3.885 421 HZ2 LYS 50 1HZ LYS 50 -1.985 -12.234 -3.593 422 HZ3 LYS 50 2HZ LYS 50 -2.213 -11.654 -5.164 423 H THR 51 H THR 51 -2.338 -3.952 -3.964 424 HA THR 51 HA THR 51 0.328 -2.806 -3.619 425 HB THR 51 HB THR 51 -1.440 -2.237 -6.009 426 HG1 THR 51 1HG THR 51 0.320 -3.154 -7.153 427 HG21 THR 51 3HG2 THR 51 0.808 -0.774 -4.871 428 HG22 THR 51 1HG2 THR 51 -0.391 -0.275 -6.064 429 HG23 THR 51 2HG2 THR 51 1.021 -1.203 -6.569 430 H PHE 52 H PHE 52 0.234 -1.147 -2.262 431 HA PHE 52 HA PHE 52 -2.348 0.037 -1.629 432 HD1 PHE 52 1HD PHE 52 0.061 -2.327 -0.276 433 HD2 PHE 52 2HD PHE 52 -2.541 0.404 1.697 434 HE1 PHE 52 1HE PHE 52 -0.733 -4.140 1.187 435 HE2 PHE 52 2HE PHE 52 -3.334 -1.403 3.165 436 HZ PHE 52 HZ PHE 52 -2.431 -3.680 2.909 437 HB2 PHE 52 2HB PHE 52 0.375 0.196 -0.341 438 HB3 PHE 52 1HB PHE 52 -0.975 1.210 0.176 439 H THR 53 H THR 53 -2.768 2.268 -1.700 440 HA THR 53 HA THR 53 -0.841 3.920 -3.168 441 HB THR 53 HB THR 53 -3.785 3.870 -3.830 442 HG1 THR 53 1HG THR 53 -1.623 2.621 -5.170 443 HG21 THR 53 3HG2 THR 53 -1.775 5.705 -4.488 444 HG22 THR 53 1HG2 THR 53 -3.406 5.601 -5.145 445 HG23 THR 53 2HG2 THR 53 -2.080 4.755 -5.939 446 H VAL 54 H VAL 54 -0.475 5.752 -2.125 447 HA VAL 54 HA VAL 54 -2.669 7.030 -0.659 448 HB VAL 54 HB VAL 54 -1.542 5.882 1.098 449 HG11 VAL 54 1HG1 VAL 54 1.049 7.004 0.044 450 HG12 VAL 54 2HG1 VAL 54 0.499 5.338 -0.146 451 HG13 VAL 54 3HG1 VAL 54 0.854 5.972 1.460 452 HG21 VAL 54 3HG2 VAL 54 -0.094 8.379 1.576 453 HG22 VAL 54 1HG2 VAL 54 -1.393 7.627 2.499 454 HG23 VAL 54 2HG2 VAL 54 -1.771 8.615 1.091 455 H THR 55 H THR 55 -2.533 9.288 -0.540 456 HA THR 55 HA THR 55 -0.207 10.551 -1.791 457 HB THR 55 HB THR 55 -1.338 11.562 -3.514 458 HG1 THR 55 1HG THR 55 -3.309 12.374 -3.353 459 HG21 THR 55 3HG2 THR 55 -1.619 9.146 -3.879 460 HG22 THR 55 1HG2 THR 55 -2.910 10.108 -4.598 461 HG23 THR 55 2HG2 THR 55 -3.195 9.237 -3.091 462 H GLU 56 H GLU 56 0.352 12.453 -0.885 463 HA GLU 56 HA GLU 56 -0.802 13.236 1.564 464 HB2 GLU 56 2HB GLU 56 1.590 13.635 0.668 465 HB3 GLU 56 1HB GLU 56 0.908 15.054 -0.113 466 HG2 GLU 56 2HG GLU 56 0.332 14.725 2.762 467 HG3 GLU 56 1HG GLU 56 1.999 15.092 2.324 Start of MODEL 8 1 HA THR 1 HA THR 1 3.996 -12.322 -3.001 2 HB THR 1 HB THR 1 2.375 -11.323 -0.660 3 HG1 THR 1 1HG THR 1 2.165 -13.802 -2.018 4 H1 THR 1 1HT THR 1 4.804 -12.372 -0.182 5 H2 THR 1 2HT THR 1 5.602 -13.050 -1.539 6 H3 THR 1 3HT THR 1 4.124 -13.723 -0.983 7 HG21 THR 1 3HG2 THR 1 0.748 -12.046 -2.810 8 HG22 THR 1 1HG2 THR 1 2.093 -11.141 -3.504 9 HG23 THR 1 2HG2 THR 1 1.108 -10.422 -2.229 10 H THR 2 H THR 2 4.947 -10.625 -3.904 11 HA THR 2 HA THR 2 6.250 -8.603 -2.377 12 HB THR 2 HB THR 2 7.077 -9.366 -4.574 13 HG1 THR 2 1HG THR 2 7.722 -7.329 -3.919 14 HG21 THR 2 3HG2 THR 2 6.067 -8.605 -6.628 15 HG22 THR 2 1HG2 THR 2 4.738 -7.869 -5.732 16 HG23 THR 2 2HG2 THR 2 4.935 -9.622 -5.737 17 H TYR 3 H TYR 3 5.463 -6.757 -1.611 18 HA TYR 3 HA TYR 3 2.806 -5.900 -2.524 19 HD1 TYR 3 1HD TYR 3 0.830 -4.553 -0.511 20 HD2 TYR 3 2HD TYR 3 3.147 -7.990 0.433 21 HE1 TYR 3 1HE TYR 3 -1.220 -5.752 0.130 22 HE2 TYR 3 2HE TYR 3 1.107 -9.198 1.080 23 HH TYR 3 HH TYR 3 -1.996 -8.093 0.327 24 HB2 TYR 3 2HB TYR 3 4.207 -5.846 0.080 25 HB3 TYR 3 1HB TYR 3 3.248 -4.411 -0.295 26 H LYS 4 H LYS 4 2.517 -3.989 -3.517 27 HA LYS 4 HA LYS 4 4.887 -2.263 -3.807 28 HB2 LYS 4 2HB LYS 4 3.544 -3.477 -5.796 29 HB3 LYS 4 1HB LYS 4 2.619 -1.986 -5.697 30 HG2 LYS 4 2HG LYS 4 4.259 -0.759 -6.597 31 HG3 LYS 4 1HG LYS 4 5.523 -1.610 -5.706 32 HD2 LYS 4 2HD LYS 4 5.978 -2.223 -7.887 33 HD3 LYS 4 1HD LYS 4 4.978 -3.566 -7.332 34 HE2 LYS 4 2HE LYS 4 3.258 -3.022 -8.692 35 HE3 LYS 4 1HE LYS 4 3.523 -1.289 -8.507 36 HZ1 LYS 4 3HZ LYS 4 4.883 -1.220 -10.284 37 HZ2 LYS 4 1HZ LYS 4 4.054 -2.623 -10.741 38 HZ3 LYS 4 2HZ LYS 4 5.562 -2.739 -9.986 39 H LEU 5 H LEU 5 4.797 -0.156 -3.297 40 HA LEU 5 HA LEU 5 2.183 0.971 -2.531 41 HG LEU 5 HG LEU 5 3.798 3.416 -1.069 42 HB2 LEU 5 2HB LEU 5 3.286 0.497 -0.477 43 HB3 LEU 5 1HB LEU 5 4.806 1.155 -1.062 44 HD11 LEU 5 1HD1 LEU 5 1.583 3.575 -1.111 45 HD12 LEU 5 2HD1 LEU 5 1.593 3.138 0.597 46 HD13 LEU 5 3HD1 LEU 5 1.384 1.888 -0.630 47 HD21 LEU 5 3HD2 LEU 5 3.768 1.850 1.502 48 HD22 LEU 5 1HD2 LEU 5 3.591 3.601 1.437 49 HD23 LEU 5 2HD2 LEU 5 5.069 2.844 0.846 50 H ILE 6 H ILE 6 1.816 3.096 -3.030 51 HA ILE 6 HA ILE 6 3.950 4.559 -4.421 52 HB ILE 6 HB ILE 6 2.693 3.679 -6.230 53 HG12 ILE 6 2HG1 ILE 6 1.404 6.375 -5.868 54 HG13 ILE 6 1HG1 ILE 6 3.141 6.230 -6.125 55 HG21 ILE 6 1HG2 ILE 6 0.281 3.772 -6.399 56 HG22 ILE 6 2HG2 ILE 6 0.182 4.623 -4.856 57 HG23 ILE 6 3HG2 ILE 6 0.746 2.955 -4.907 58 HD11 ILE 6 3HD1 ILE 6 1.012 5.200 -7.984 59 HD12 ILE 6 1HD1 ILE 6 2.754 5.132 -8.249 60 HD13 ILE 6 2HD1 ILE 6 1.931 6.689 -8.195 61 H LEU 7 H LEU 7 4.140 6.615 -3.772 62 HA LEU 7 HA LEU 7 1.861 7.835 -2.369 63 HG LEU 7 HG LEU 7 2.668 6.428 -0.586 64 HB2 LEU 7 2HB LEU 7 4.789 8.054 -1.689 65 HB3 LEU 7 1HB LEU 7 3.532 9.074 -0.993 66 HD11 LEU 7 1HD1 LEU 7 4.791 5.831 0.900 67 HD12 LEU 7 2HD1 LEU 7 5.612 6.710 -0.390 68 HD13 LEU 7 3HD1 LEU 7 4.629 5.298 -0.776 69 HD21 LEU 7 3HD2 LEU 7 2.919 8.776 0.834 70 HD22 LEU 7 1HD2 LEU 7 3.988 7.668 1.693 71 HD23 LEU 7 2HD2 LEU 7 2.292 7.248 1.452 72 H ASN 8 H ASN 8 1.200 9.742 -3.118 73 HA ASN 8 HA ASN 8 2.865 11.066 -5.144 74 HB2 ASN 8 2HB ASN 8 0.398 10.266 -5.540 75 HB3 ASN 8 1HB ASN 8 -0.018 11.744 -4.678 76 HD21 ASN 8 1HD2 ASN 8 0.105 10.578 -7.615 77 HD22 ASN 8 2HD2 ASN 8 0.616 11.970 -8.521 78 H LEU 9 H LEU 9 4.198 12.299 -3.837 79 HA LEU 9 HA LEU 9 3.085 14.019 -1.803 80 HG LEU 9 HG LEU 9 4.980 12.400 -0.570 81 HB2 LEU 9 2HB LEU 9 5.764 13.217 -2.710 82 HB3 LEU 9 1HB LEU 9 5.658 14.879 -2.155 83 HD11 LEU 9 1HD1 LEU 9 7.375 12.868 -0.835 84 HD12 LEU 9 2HD1 LEU 9 6.831 13.068 0.835 85 HD13 LEU 9 3HD1 LEU 9 7.118 14.486 -0.182 86 HD21 LEU 9 3HD2 LEU 9 4.404 15.282 -0.104 87 HD22 LEU 9 1HD2 LEU 9 4.858 14.278 1.269 88 HD23 LEU 9 2HD2 LEU 9 3.446 13.864 0.297 89 H LYS 10 H LYS 10 3.444 16.349 -1.790 90 HA LYS 10 HA LYS 10 2.448 17.570 -4.124 91 HB2 LYS 10 2HB LYS 10 3.529 18.566 -1.517 92 HB3 LYS 10 1HB LYS 10 3.257 19.711 -2.824 93 HG2 LYS 10 2HG LYS 10 1.039 17.849 -2.170 94 HG3 LYS 10 1HG LYS 10 1.396 19.126 -1.008 95 HD2 LYS 10 2HD LYS 10 0.497 20.699 -2.320 96 HD3 LYS 10 1HD LYS 10 1.378 20.120 -3.739 97 HE2 LYS 10 2HE LYS 10 -0.391 18.187 -3.661 98 HE3 LYS 10 1HE LYS 10 -1.331 19.344 -2.727 99 HZ1 LYS 10 3HZ LYS 10 -0.249 19.758 -5.463 100 HZ2 LYS 10 1HZ LYS 10 -1.098 20.926 -4.567 101 HZ3 LYS 10 2HZ LYS 10 -1.872 19.508 -5.060 102 H GLN 11 H GLN 11 5.684 17.108 -2.894 103 HA GLN 11 HA GLN 11 6.904 18.932 -4.749 104 HB2 GLN 11 2HB GLN 11 7.929 18.484 -2.567 105 HB3 GLN 11 1HB GLN 11 8.132 16.790 -3.003 106 HG2 GLN 11 2HG GLN 11 10.227 17.818 -3.287 107 HG3 GLN 11 1HG GLN 11 9.571 17.567 -4.904 108 HE21 GLN 11 1HE2 GLN 11 10.678 19.842 -2.607 109 HE22 GLN 11 2HE2 GLN 11 10.448 21.265 -3.559 110 H ALA 12 H ALA 12 6.743 15.397 -4.427 111 HA ALA 12 HA ALA 12 6.799 15.079 -7.287 112 HB1 ALA 12 1HB ALA 12 9.216 15.345 -6.618 113 HB2 ALA 12 2HB ALA 12 8.822 13.859 -7.486 114 HB3 ALA 12 3HB ALA 12 9.054 13.827 -5.739 115 H LYS 13 H LYS 13 6.953 12.607 -7.799 116 HA LYS 13 HA LYS 13 5.143 11.262 -5.917 117 HB2 LYS 13 2HB LYS 13 5.631 10.861 -8.868 118 HB3 LYS 13 1HB LYS 13 4.664 9.770 -7.902 119 HG2 LYS 13 2HG LYS 13 2.902 11.054 -8.271 120 HG3 LYS 13 1HG LYS 13 3.693 12.359 -7.387 121 HD2 LYS 13 2HD LYS 13 4.082 11.796 -10.321 122 HD3 LYS 13 1HD LYS 13 2.959 12.993 -9.673 123 HE2 LYS 13 2HE LYS 13 4.961 14.003 -8.481 124 HE3 LYS 13 1HE LYS 13 5.963 12.975 -9.504 125 HZ1 LYS 13 3HZ LYS 13 5.434 15.368 -10.254 126 HZ2 LYS 13 1HZ LYS 13 3.935 14.730 -10.720 127 HZ3 LYS 13 2HZ LYS 13 5.362 14.117 -11.391 128 H GLU 14 H GLU 14 5.991 9.749 -4.668 129 HA GLU 14 HA GLU 14 8.366 8.290 -5.628 130 HB2 GLU 14 2HB GLU 14 8.672 9.775 -3.616 131 HB3 GLU 14 1HB GLU 14 7.569 8.725 -2.749 132 HG2 GLU 14 2HG GLU 14 9.845 8.150 -2.221 133 HG3 GLU 14 1HG GLU 14 9.088 6.839 -3.122 134 H GLU 15 H GLU 15 8.212 6.157 -5.866 135 HA GLU 15 HA GLU 15 6.239 4.644 -4.346 136 HB2 GLU 15 2HB GLU 15 5.535 3.480 -6.507 137 HB3 GLU 15 1HB GLU 15 4.904 5.100 -6.233 138 HG2 GLU 15 2HG GLU 15 5.840 5.871 -8.087 139 HG3 GLU 15 1HG GLU 15 7.405 5.178 -7.669 140 H ALA 16 H ALA 16 6.842 2.554 -3.948 141 HA ALA 16 HA ALA 16 9.121 1.438 -5.394 142 HB1 ALA 16 1HB ALA 16 10.222 2.546 -3.594 143 HB2 ALA 16 2HB ALA 16 10.216 0.820 -3.232 144 HB3 ALA 16 3HB ALA 16 9.081 1.895 -2.417 145 H ILE 17 H ILE 17 9.596 -0.848 -4.434 146 HA ILE 17 HA ILE 17 7.017 -2.181 -3.914 147 HB ILE 17 HB ILE 17 7.768 -2.648 -6.190 148 HG12 ILE 17 2HG1 ILE 17 7.975 -5.174 -5.994 149 HG13 ILE 17 1HG1 ILE 17 8.003 -4.952 -4.248 150 HG21 ILE 17 1HG2 ILE 17 9.866 -3.907 -6.568 151 HG22 ILE 17 2HG2 ILE 17 10.282 -3.653 -4.874 152 HG23 ILE 17 3HG2 ILE 17 10.131 -2.272 -5.961 153 HD11 ILE 17 3HD1 ILE 17 5.787 -3.526 -5.025 154 HD12 ILE 17 1HD1 ILE 17 5.796 -5.155 -4.348 155 HD13 ILE 17 2HD1 ILE 17 5.770 -4.928 -6.097 156 H LYS 18 H LYS 18 7.026 -3.947 -2.502 157 HA LYS 18 HA LYS 18 9.539 -4.482 -1.075 158 HB2 LYS 18 2HB LYS 18 6.950 -4.330 0.430 159 HB3 LYS 18 1HB LYS 18 8.594 -4.193 1.039 160 HG2 LYS 18 2HG LYS 18 7.405 -2.123 -0.771 161 HG3 LYS 18 1HG LYS 18 7.153 -2.096 0.975 162 HD2 LYS 18 2HD LYS 18 9.204 -1.324 1.365 163 HD3 LYS 18 1HD LYS 18 9.944 -2.467 0.244 164 HE2 LYS 18 2HE LYS 18 10.420 -0.389 -0.700 165 HE3 LYS 18 1HE LYS 18 9.005 -0.936 -1.599 166 HZ1 LYS 18 3HZ LYS 18 7.733 0.690 -0.746 167 HZ2 LYS 18 1HZ LYS 18 9.209 1.466 -0.463 168 HZ3 LYS 18 2HZ LYS 18 8.447 0.618 0.785 169 H GLU 19 H GLU 19 9.184 -6.434 0.468 170 HA GLU 19 HA GLU 19 7.555 -8.453 -0.933 171 HB2 GLU 19 2HB GLU 19 9.297 -10.111 -0.394 172 HB3 GLU 19 1HB GLU 19 9.903 -8.825 -1.426 173 HG2 GLU 19 2HG GLU 19 11.581 -8.626 0.008 174 HG3 GLU 19 1HG GLU 19 10.421 -7.915 1.128 175 H LEU 20 H LEU 20 5.910 -8.981 0.335 176 HA LEU 20 HA LEU 20 6.463 -9.584 3.160 177 HG LEU 20 HG LEU 20 4.689 -6.307 3.666 178 HB2 LEU 20 2HB LEU 20 4.027 -8.120 2.124 179 HB3 LEU 20 1HB LEU 20 4.256 -8.663 3.776 180 HD11 LEU 20 1HD1 LEU 20 6.071 -7.498 5.215 181 HD12 LEU 20 2HD1 LEU 20 7.042 -6.242 4.447 182 HD13 LEU 20 3HD1 LEU 20 7.214 -7.923 3.942 183 HD21 LEU 20 3HD2 LEU 20 5.612 -6.803 1.117 184 HD22 LEU 20 1HD2 LEU 20 7.074 -6.380 2.008 185 HD23 LEU 20 2HD2 LEU 20 5.710 -5.265 1.980 186 H VAL 21 H VAL 21 4.145 -10.605 4.006 187 HA VAL 21 HA VAL 21 3.688 -12.852 2.160 188 HB VAL 21 HB VAL 21 3.055 -14.183 4.120 189 HG11 VAL 21 1HG1 VAL 21 5.718 -12.955 3.812 190 HG12 VAL 21 2HG1 VAL 21 5.233 -14.649 3.760 191 HG13 VAL 21 3HG1 VAL 21 5.434 -13.838 5.312 192 HG21 VAL 21 3HG2 VAL 21 3.622 -11.629 5.597 193 HG22 VAL 21 1HG2 VAL 21 3.672 -13.203 6.392 194 HG23 VAL 21 2HG2 VAL 21 2.175 -12.636 5.652 195 H ASP 22 H ASP 22 2.035 -10.763 4.520 196 HA ASP 22 HA ASP 22 -0.461 -11.229 3.030 197 HB2 ASP 22 2HB ASP 22 -1.721 -11.142 5.117 198 HB3 ASP 22 1HB ASP 22 -0.517 -12.428 5.188 199 H ALA 23 H ALA 23 -2.117 -9.467 3.500 200 HA ALA 23 HA ALA 23 -0.873 -6.939 2.978 201 HB1 ALA 23 1HB ALA 23 -3.207 -7.969 2.195 202 HB2 ALA 23 2HB ALA 23 -2.896 -6.233 2.265 203 HB3 ALA 23 3HB ALA 23 -3.764 -7.029 3.579 204 H ALA 24 H ALA 24 -2.616 -8.376 5.700 205 HA ALA 24 HA ALA 24 -2.982 -6.174 7.317 206 HB1 ALA 24 1HB ALA 24 -3.349 -8.827 7.651 207 HB2 ALA 24 2HB ALA 24 -3.445 -7.654 8.964 208 HB3 ALA 24 3HB ALA 24 -1.960 -8.567 8.705 209 H THR 25 H THR 25 -0.101 -8.221 7.037 210 HA THR 25 HA THR 25 1.460 -6.622 8.808 211 HB THR 25 HB THR 25 2.011 -8.901 6.939 212 HG1 THR 25 1HG THR 25 1.415 -9.401 9.029 213 HG21 THR 25 3HG2 THR 25 4.379 -8.872 7.424 214 HG22 THR 25 1HG2 THR 25 4.203 -7.348 8.294 215 HG23 THR 25 2HG2 THR 25 3.913 -7.407 6.554 216 H ALA 26 H ALA 26 1.087 -6.861 5.295 217 HA ALA 26 HA ALA 26 3.111 -5.155 4.482 218 HB1 ALA 26 1HB ALA 26 1.749 -6.374 2.877 219 HB2 ALA 26 2HB ALA 26 1.678 -4.648 2.519 220 HB3 ALA 26 3HB ALA 26 0.324 -5.438 3.334 221 H GLU 27 H GLU 27 -0.238 -4.360 5.279 222 HA GLU 27 HA GLU 27 -0.183 -1.617 5.096 223 HB2 GLU 27 2HB GLU 27 -2.216 -2.938 5.503 224 HB3 GLU 27 1HB GLU 27 -1.639 -3.332 7.121 225 HG2 GLU 27 2HG GLU 27 -2.088 -1.244 7.940 226 HG3 GLU 27 1HG GLU 27 -1.929 -0.470 6.363 227 H LYS 28 H LYS 28 0.988 -3.716 7.656 228 HA LYS 28 HA LYS 28 1.423 -1.671 9.579 229 HB2 LYS 28 2HB LYS 28 1.937 -4.518 9.340 230 HB3 LYS 28 1HB LYS 28 3.283 -3.686 10.107 231 HG2 LYS 28 2HG LYS 28 0.935 -2.674 11.283 232 HG3 LYS 28 1HG LYS 28 0.753 -4.426 11.205 233 HD2 LYS 28 2HD LYS 28 3.375 -3.407 12.115 234 HD3 LYS 28 1HD LYS 28 2.013 -3.165 13.209 235 HE2 LYS 28 2HE LYS 28 1.541 -5.524 13.222 236 HE3 LYS 28 1HE LYS 28 2.765 -5.817 11.989 237 HZ1 LYS 28 3HZ LYS 28 4.481 -5.317 13.495 238 HZ2 LYS 28 1HZ LYS 28 3.419 -6.320 14.351 239 HZ3 LYS 28 2HZ LYS 28 3.420 -4.651 14.633 240 H TYR 29 H TYR 29 3.560 -3.337 7.300 241 HA TYR 29 HA TYR 29 5.845 -1.739 7.896 242 HD1 TYR 29 2HD TYR 29 6.309 -1.566 4.159 243 HD2 TYR 29 1HD TYR 29 8.397 -3.888 7.048 244 HE1 TYR 29 2HE TYR 29 8.439 -0.909 3.134 245 HE2 TYR 29 1HE TYR 29 10.537 -3.237 6.031 246 HH TYR 29 HH TYR 29 11.042 -2.289 3.252 247 HB2 TYR 29 2HB TYR 29 6.067 -3.998 6.971 248 HB3 TYR 29 1HB TYR 29 5.226 -3.492 5.508 249 H PHE 30 H PHE 30 3.839 -1.960 4.973 250 HA PHE 30 HA PHE 30 4.835 0.163 3.574 251 HD1 PHE 30 2HD PHE 30 5.340 -0.080 2.063 252 HD2 PHE 30 1HD PHE 30 1.597 -1.898 1.149 253 HE1 PHE 30 2HE PHE 30 6.203 -0.734 -0.134 254 HE2 PHE 30 1HE PHE 30 2.459 -2.549 -1.061 255 HZ PHE 30 HZ PHE 30 4.762 -1.966 -1.705 256 HB2 PHE 30 2HB PHE 30 2.394 -1.426 3.546 257 HB3 PHE 30 1HB PHE 30 2.114 0.214 2.975 258 H LYS 31 H LYS 31 2.144 0.294 5.914 259 HA LYS 31 HA LYS 31 1.660 3.049 5.624 260 HB2 LYS 31 2HB LYS 31 0.119 1.446 6.751 261 HB3 LYS 31 1HB LYS 31 1.241 1.383 8.110 262 HG2 LYS 31 2HG LYS 31 0.886 3.726 8.564 263 HG3 LYS 31 1HG LYS 31 -0.141 3.877 7.135 264 HD2 LYS 31 2HD LYS 31 -1.737 3.626 8.760 265 HD3 LYS 31 1HD LYS 31 -1.484 1.938 8.311 266 HE2 LYS 31 2HE LYS 31 -0.788 1.435 10.362 267 HE3 LYS 31 1HE LYS 31 0.401 2.737 10.335 268 HZ1 LYS 31 3HZ LYS 31 -1.815 4.129 10.735 269 HZ2 LYS 31 1HZ LYS 31 -0.882 3.506 11.999 270 HZ3 LYS 31 2HZ LYS 31 -2.269 2.685 11.487 271 H LEU 32 H LEU 32 3.947 1.252 7.581 272 HA LEU 32 HA LEU 32 4.766 3.403 9.232 273 HG LEU 32 HG LEU 32 5.524 2.599 11.017 274 HB2 LEU 32 2HB LEU 32 5.459 0.656 8.842 275 HB3 LEU 32 1HB LEU 32 6.929 1.605 8.857 276 HD11 LEU 32 1HD1 LEU 32 5.050 -0.351 10.734 277 HD12 LEU 32 2HD1 LEU 32 3.874 0.926 11.050 278 HD13 LEU 32 3HD1 LEU 32 5.036 0.469 12.295 279 HD21 LEU 32 3HD2 LEU 32 7.704 0.540 10.795 280 HD22 LEU 32 1HD2 LEU 32 7.175 1.212 12.337 281 HD23 LEU 32 2HD2 LEU 32 7.862 2.269 11.103 282 H TYR 33 H TYR 33 5.596 2.415 6.001 283 HA TYR 33 HA TYR 33 7.981 4.012 5.837 284 HD1 TYR 33 1HD TYR 33 6.072 4.469 2.287 285 HD2 TYR 33 2HD TYR 33 9.877 2.877 3.341 286 HE1 TYR 33 1HE TYR 33 7.079 5.603 0.354 287 HE2 TYR 33 2HE TYR 33 10.891 4.007 1.407 288 HH TYR 33 HH TYR 33 9.029 5.424 -1.078 289 HB2 TYR 33 2HB TYR 33 7.951 2.098 4.439 290 HB3 TYR 33 1HB TYR 33 6.341 2.471 3.826 291 H ALA 34 H ALA 34 4.766 4.195 4.314 292 HA ALA 34 HA ALA 34 5.099 6.684 3.101 293 HB1 ALA 34 1HB ALA 34 2.748 5.044 3.898 294 HB2 ALA 34 2HB ALA 34 3.272 5.570 2.297 295 HB3 ALA 34 3HB ALA 34 2.487 6.712 3.385 296 H ASN 35 H ASN 35 4.513 5.875 6.411 297 HA ASN 35 HA ASN 35 3.542 8.505 7.120 298 HB2 ASN 35 2HB ASN 35 4.247 6.064 8.749 299 HB3 ASN 35 1HB ASN 35 3.738 7.584 9.476 300 HD21 ASN 35 1HD2 ASN 35 2.127 5.873 10.258 301 HD22 ASN 35 2HD2 ASN 35 0.673 5.739 9.334 302 H ALA 36 H ALA 36 6.548 6.686 7.320 303 HA ALA 36 HA ALA 36 7.871 8.838 8.763 304 HB1 ALA 36 1HB ALA 36 9.096 7.164 9.543 305 HB2 ALA 36 2HB ALA 36 9.753 6.905 7.928 306 HB3 ALA 36 3HB ALA 36 8.304 6.039 8.440 307 H LYS 37 H LYS 37 8.513 7.063 5.730 308 HA LYS 37 HA LYS 37 10.455 8.779 4.731 309 HB2 LYS 37 2HB LYS 37 8.861 6.588 3.736 310 HB3 LYS 37 1HB LYS 37 9.053 7.817 2.496 311 HG2 LYS 37 2HG LYS 37 10.834 6.315 2.200 312 HG3 LYS 37 1HG LYS 37 11.531 7.736 2.977 313 HD2 LYS 37 2HD LYS 37 11.854 6.648 4.979 314 HD3 LYS 37 1HD LYS 37 10.559 5.489 4.679 315 HE2 LYS 37 2HE LYS 37 12.325 4.111 4.315 316 HE3 LYS 37 1HE LYS 37 12.196 4.791 2.694 317 HZ1 LYS 37 3HZ LYS 37 13.946 6.308 3.160 318 HZ2 LYS 37 1HZ LYS 37 14.481 4.774 3.631 319 HZ3 LYS 37 2HZ LYS 37 13.975 5.889 4.798 320 H THR 38 H THR 38 6.938 8.879 4.301 321 HA THR 38 HA THR 38 7.170 11.702 3.587 322 HB THR 38 HB THR 38 5.848 11.530 1.619 323 HG1 THR 38 1HG THR 38 4.955 9.518 0.971 324 HG21 THR 38 3HG2 THR 38 7.863 9.302 1.656 325 HG22 THR 38 1HG2 THR 38 8.070 10.948 1.053 326 HG23 THR 38 2HG2 THR 38 7.007 9.825 0.204 327 H VAL 39 H VAL 39 4.331 11.857 2.848 328 HA VAL 39 HA VAL 39 3.208 11.617 5.551 329 HB VAL 39 HB VAL 39 1.448 13.194 4.683 330 HG11 VAL 39 1HG1 VAL 39 2.870 14.384 5.974 331 HG12 VAL 39 2HG1 VAL 39 3.317 15.106 4.429 332 HG13 VAL 39 3HG1 VAL 39 4.302 13.813 5.117 333 HG21 VAL 39 3HG2 VAL 39 3.367 13.541 2.382 334 HG22 VAL 39 1HG2 VAL 39 1.857 14.412 2.647 335 HG23 VAL 39 2HG2 VAL 39 1.828 12.686 2.284 336 H GLU 40 H GLU 40 0.703 11.363 5.469 337 HA GLU 40 HA GLU 40 -0.015 9.322 3.478 338 HB2 GLU 40 2HB GLU 40 -1.085 7.983 5.204 339 HB3 GLU 40 1HB GLU 40 0.616 8.209 5.578 340 HG2 GLU 40 2HG GLU 40 0.034 8.917 7.585 341 HG3 GLU 40 1HG GLU 40 -0.726 10.320 6.831 342 H GLY 41 H GLY 41 -1.829 9.804 2.441 343 HA2 GLY 41 2HA GLY 41 -3.847 11.443 3.841 344 HA3 GLY 41 1HA GLY 41 -3.379 11.776 2.177 345 H VAL 42 H VAL 42 -4.791 11.062 0.731 346 HA VAL 42 HA VAL 42 -6.877 9.245 1.412 347 HB VAL 42 HB VAL 42 -6.070 10.084 -1.376 348 HG11 VAL 42 1HG1 VAL 42 -8.376 8.682 -0.186 349 HG12 VAL 42 2HG1 VAL 42 -7.683 8.563 -1.801 350 HG13 VAL 42 3HG1 VAL 42 -8.750 9.897 -1.402 351 HG21 VAL 42 3HG2 VAL 42 -6.319 12.085 -0.066 352 HG22 VAL 42 1HG2 VAL 42 -7.838 11.501 0.610 353 HG23 VAL 42 2HG2 VAL 42 -7.734 11.907 -1.105 354 H TRP 43 H TRP 43 -6.626 7.207 1.686 355 HA TRP 43 HA TRP 43 -4.519 5.722 0.375 356 HD1 TRP 43 HD TRP 43 -4.829 6.970 3.986 357 HE1 TRP 43 1HE TRP 43 -2.498 6.659 5.033 358 HE3 TRP 43 3HE TRP 43 -3.424 2.704 1.567 359 HZ2 TRP 43 2HZ TRP 43 -0.343 4.842 4.850 360 HZ3 TRP 43 3HZ TRP 43 -1.210 1.738 2.054 361 HH2 TRP 43 HH TRP 43 0.297 2.788 3.663 362 HB2 TRP 43 2HB TRP 43 -6.405 5.266 2.639 363 HB3 TRP 43 1HB TRP 43 -5.640 3.873 1.877 364 H THR 44 H THR 44 -4.866 3.847 -0.846 365 HA THR 44 HA THR 44 -7.524 3.063 -1.637 366 HB THR 44 HB THR 44 -5.998 3.590 -4.057 367 HG1 THR 44 1HG THR 44 -6.258 5.863 -3.964 368 HG21 THR 44 3HG2 THR 44 -8.138 4.957 -4.523 369 HG22 THR 44 1HG2 THR 44 -8.747 4.176 -3.064 370 HG23 THR 44 2HG2 THR 44 -8.231 3.197 -4.440 371 H TYR 45 H TYR 45 -7.305 0.934 -1.360 372 HA TYR 45 HA TYR 45 -4.784 -0.373 -1.981 373 HD1 TYR 45 1HD TYR 45 -3.698 -2.150 -1.291 374 HD2 TYR 45 2HD TYR 45 -7.569 -3.745 -0.538 375 HE1 TYR 45 1HE TYR 45 -2.783 -4.427 -1.449 376 HE2 TYR 45 2HE TYR 45 -6.664 -6.029 -0.694 377 HH TYR 45 HH TYR 45 -3.299 -6.673 -0.748 378 HB2 TYR 45 2HB TYR 45 -5.900 -0.947 0.113 379 HB3 TYR 45 1HB TYR 45 -7.335 -1.459 -0.770 380 H LYS 46 H LYS 46 -4.516 -2.030 -3.450 381 HA LYS 46 HA LYS 46 -6.674 -2.346 -5.429 382 HB2 LYS 46 2HB LYS 46 -3.846 -1.641 -5.752 383 HB3 LYS 46 1HB LYS 46 -4.360 -2.966 -6.790 384 HG2 LYS 46 2HG LYS 46 -4.838 -1.218 -8.145 385 HG3 LYS 46 1HG LYS 46 -6.372 -1.322 -7.278 386 HD2 LYS 46 2HD LYS 46 -6.110 0.781 -6.615 387 HD3 LYS 46 1HD LYS 46 -4.653 0.305 -5.740 388 HE2 LYS 46 2HE LYS 46 -3.586 1.723 -7.106 389 HE3 LYS 46 1HE LYS 46 -3.760 0.462 -8.318 390 HZ1 LYS 46 3HZ LYS 46 -4.609 2.939 -8.676 391 HZ2 LYS 46 1HZ LYS 46 -6.011 2.281 -7.992 392 HZ3 LYS 46 2HZ LYS 46 -5.362 1.608 -9.404 393 H ASP 47 H ASP 47 -7.458 -4.336 -5.504 394 HA ASP 47 HA ASP 47 -5.919 -6.533 -4.357 395 HB2 ASP 47 2HB ASP 47 -8.798 -6.422 -5.276 396 HB3 ASP 47 1HB ASP 47 -8.036 -7.789 -4.464 397 H GLU 48 H GLU 48 -5.072 -5.492 -6.894 398 HA GLU 48 HA GLU 48 -5.837 -7.610 -8.764 399 HB2 GLU 48 2HB GLU 48 -5.833 -5.102 -9.377 400 HB3 GLU 48 1HB GLU 48 -4.082 -5.257 -9.418 401 HG2 GLU 48 2HG GLU 48 -4.309 -7.031 -11.111 402 HG3 GLU 48 1HG GLU 48 -6.054 -6.789 -11.098 403 H THR 49 H THR 49 -3.160 -6.319 -6.952 404 HA THR 49 HA THR 49 -1.680 -8.749 -7.232 405 HB THR 49 HB THR 49 0.359 -7.163 -8.040 406 HG1 THR 49 1HG THR 49 -1.889 -6.242 -9.493 407 HG21 THR 49 3HG2 THR 49 -1.035 -9.273 -9.144 408 HG22 THR 49 1HG2 THR 49 0.464 -8.567 -9.743 409 HG23 THR 49 2HG2 THR 49 -1.085 -8.020 -10.385 410 H LYS 50 H LYS 50 -2.804 -7.054 -5.147 411 HA LYS 50 HA LYS 50 -2.287 -6.309 -3.061 412 HB2 LYS 50 2HB LYS 50 0.227 -7.854 -3.689 413 HB3 LYS 50 1HB LYS 50 -0.063 -7.105 -2.127 414 HG2 LYS 50 2HG LYS 50 -0.707 -9.330 -1.851 415 HG3 LYS 50 1HG LYS 50 -2.222 -8.449 -2.059 416 HD2 LYS 50 2HD LYS 50 -2.465 -9.196 -4.289 417 HD3 LYS 50 1HD LYS 50 -0.797 -9.774 -4.354 418 HE2 LYS 50 2HE LYS 50 -1.683 -11.782 -3.905 419 HE3 LYS 50 1HE LYS 50 -1.796 -11.190 -2.248 420 HZ1 LYS 50 3HZ LYS 50 -3.872 -12.173 -3.413 421 HZ2 LYS 50 1HZ LYS 50 -3.988 -10.646 -4.131 422 HZ3 LYS 50 2HZ LYS 50 -4.035 -10.794 -2.448 423 H THR 51 H THR 51 -2.338 -4.122 -3.886 424 HA THR 51 HA THR 51 0.264 -2.824 -3.589 425 HB THR 51 HB THR 51 -1.603 -2.290 -5.906 426 HG1 THR 51 1HG THR 51 0.917 -3.558 -5.725 427 HG21 THR 51 3HG2 THR 51 0.927 -1.155 -6.343 428 HG22 THR 51 1HG2 THR 51 0.402 -0.630 -4.744 429 HG23 THR 51 2HG2 THR 51 -0.620 -0.331 -6.151 430 H PHE 52 H PHE 52 0.197 -0.968 -2.481 431 HA PHE 52 HA PHE 52 -2.442 0.043 -1.675 432 HD1 PHE 52 2HD PHE 52 -0.157 -2.373 -0.253 433 HD2 PHE 52 1HD PHE 52 -2.669 0.499 1.631 434 HE1 PHE 52 2HE PHE 52 -1.045 -4.126 1.226 435 HE2 PHE 52 1HE PHE 52 -3.560 -1.249 3.116 436 HZ PHE 52 HZ PHE 52 -2.750 -3.565 2.912 437 HB2 PHE 52 2HB PHE 52 0.270 0.119 -0.365 438 HB3 PHE 52 1HB PHE 52 -1.021 1.210 0.141 439 H THR 53 H THR 53 -3.066 2.062 -2.211 440 HA THR 53 HA THR 53 -1.058 3.819 -3.467 441 HB THR 53 HB THR 53 -4.003 3.613 -4.117 442 HG1 THR 53 1HG THR 53 -2.603 1.870 -4.856 443 HG21 THR 53 3HG2 THR 53 -1.856 5.194 -5.508 444 HG22 THR 53 1HG2 THR 53 -3.131 5.868 -4.491 445 HG23 THR 53 2HG2 THR 53 -3.544 5.051 -5.999 446 H VAL 54 H VAL 54 -0.642 5.574 -2.304 447 HA VAL 54 HA VAL 54 -2.854 6.905 -0.899 448 HB VAL 54 HB VAL 54 -1.688 5.535 0.776 449 HG11 VAL 54 1HG1 VAL 54 0.755 7.191 0.162 450 HG12 VAL 54 2HG1 VAL 54 0.516 5.528 -0.372 451 HG13 VAL 54 3HG1 VAL 54 0.615 5.894 1.349 452 HG21 VAL 54 3HG2 VAL 54 -2.253 7.157 2.181 453 HG22 VAL 54 1HG2 VAL 54 -2.124 8.350 0.890 454 HG23 VAL 54 2HG2 VAL 54 -0.712 7.955 1.869 455 H THR 55 H THR 55 -2.699 9.135 -0.826 456 HA THR 55 HA THR 55 -0.253 10.376 -1.830 457 HB THR 55 HB THR 55 -1.395 10.280 -3.861 458 HG1 THR 55 1HG THR 55 -1.887 12.378 -4.294 459 HG21 THR 55 3HG2 THR 55 -3.931 11.405 -3.448 460 HG22 THR 55 1HG2 THR 55 -3.734 10.118 -2.260 461 HG23 THR 55 2HG2 THR 55 -3.531 9.772 -3.977 462 H GLU 56 H GLU 56 -0.516 12.871 -1.728 463 HA GLU 56 HA GLU 56 -2.231 13.704 0.482 464 HB2 GLU 56 2HB GLU 56 0.223 12.974 1.162 465 HB3 GLU 56 1HB GLU 56 0.619 14.584 0.581 466 HG2 GLU 56 2HG GLU 56 -1.671 14.449 2.414 467 HG3 GLU 56 1HG GLU 56 -0.110 13.998 3.112 Start of MODEL 9 1 HA THR 1 HA THR 1 4.700 -12.740 -2.157 2 HB THR 1 HB THR 1 2.150 -11.227 -2.497 3 HG1 THR 1 1HG THR 1 1.191 -12.809 -1.457 4 H1 THR 1 1HT THR 1 3.113 -13.419 -0.417 5 H2 THR 1 2HT THR 1 3.101 -11.786 0.115 6 H3 THR 1 3HT THR 1 4.561 -12.689 0.138 7 HG21 THR 1 3HG2 THR 1 2.733 -11.564 -4.608 8 HG22 THR 1 1HG2 THR 1 2.278 -13.249 -4.359 9 HG23 THR 1 2HG2 THR 1 3.960 -12.751 -4.163 10 H THR 2 H THR 2 5.020 -10.834 -3.660 11 HA THR 2 HA THR 2 6.235 -8.716 -2.213 12 HB THR 2 HB THR 2 7.090 -9.530 -4.378 13 HG1 THR 2 1HG THR 2 7.520 -7.482 -5.225 14 HG21 THR 2 3HG2 THR 2 4.993 -9.911 -5.554 15 HG22 THR 2 1HG2 THR 2 6.060 -8.842 -6.463 16 HG23 THR 2 2HG2 THR 2 4.686 -8.175 -5.578 17 H TYR 3 H TYR 3 5.430 -6.838 -1.555 18 HA TYR 3 HA TYR 3 2.746 -6.079 -2.481 19 HD1 TYR 3 1HD TYR 3 0.759 -4.669 -0.591 20 HD2 TYR 3 2HD TYR 3 3.057 -8.044 0.592 21 HE1 TYR 3 1HE TYR 3 -1.305 -5.841 0.062 22 HE2 TYR 3 2HE TYR 3 1.006 -9.224 1.255 23 HH TYR 3 HH TYR 3 -1.394 -9.167 0.737 24 HB2 TYR 3 2HB TYR 3 4.128 -5.951 0.122 25 HB3 TYR 3 1HB TYR 3 3.185 -4.519 -0.289 26 H LYS 4 H LYS 4 2.385 -4.142 -3.441 27 HA LYS 4 HA LYS 4 4.740 -2.418 -3.838 28 HB2 LYS 4 2HB LYS 4 2.307 -2.607 -5.609 29 HB3 LYS 4 1HB LYS 4 3.794 -1.745 -5.952 30 HG2 LYS 4 2HG LYS 4 4.983 -3.938 -5.921 31 HG3 LYS 4 1HG LYS 4 3.408 -4.721 -5.782 32 HD2 LYS 4 2HD LYS 4 3.786 -2.746 -7.967 33 HD3 LYS 4 1HD LYS 4 4.581 -4.313 -8.130 34 HE2 LYS 4 2HE LYS 4 1.872 -4.661 -7.239 35 HE3 LYS 4 1HE LYS 4 1.909 -3.674 -8.702 36 HZ1 LYS 4 3HZ LYS 4 2.500 -6.476 -8.357 37 HZ2 LYS 4 1HZ LYS 4 3.639 -5.648 -9.294 38 HZ3 LYS 4 2HZ LYS 4 2.009 -5.634 -9.736 39 H LEU 5 H LEU 5 4.629 -0.261 -3.472 40 HA LEU 5 HA LEU 5 2.056 0.909 -2.709 41 HG LEU 5 HG LEU 5 3.428 3.249 -1.082 42 HB2 LEU 5 2HB LEU 5 3.064 0.288 -0.609 43 HB3 LEU 5 1HB LEU 5 4.589 1.033 -1.075 44 HD11 LEU 5 1HD1 LEU 5 1.271 3.464 -0.022 45 HD12 LEU 5 2HD1 LEU 5 1.189 1.720 0.235 46 HD13 LEU 5 3HD1 LEU 5 1.146 2.373 -1.402 47 HD21 LEU 5 3HD2 LEU 5 4.570 1.915 0.959 48 HD22 LEU 5 1HD2 LEU 5 2.969 2.210 1.638 49 HD23 LEU 5 2HD2 LEU 5 3.957 3.566 1.087 50 H ILE 6 H ILE 6 1.771 2.964 -3.393 51 HA ILE 6 HA ILE 6 4.107 4.426 -4.407 52 HB ILE 6 HB ILE 6 2.745 5.196 -6.347 53 HG12 ILE 6 2HG1 ILE 6 0.931 2.991 -6.487 54 HG13 ILE 6 1HG1 ILE 6 0.684 3.814 -4.950 55 HG21 ILE 6 1HG2 ILE 6 4.270 2.956 -6.084 56 HG22 ILE 6 2HG2 ILE 6 3.646 3.578 -7.611 57 HG23 ILE 6 3HG2 ILE 6 2.782 2.296 -6.762 58 HD11 ILE 6 3HD1 ILE 6 0.796 5.336 -7.522 59 HD12 ILE 6 1HD1 ILE 6 0.090 5.813 -5.979 60 HD13 ILE 6 2HD1 ILE 6 -0.690 4.574 -6.961 61 H LEU 7 H LEU 7 4.211 6.377 -3.532 62 HA LEU 7 HA LEU 7 1.752 7.558 -2.452 63 HG LEU 7 HG LEU 7 2.481 6.528 -0.469 64 HB2 LEU 7 2HB LEU 7 4.651 8.008 -1.770 65 HB3 LEU 7 1HB LEU 7 3.358 9.044 -1.181 66 HD11 LEU 7 1HD1 LEU 7 5.455 6.581 -0.509 67 HD12 LEU 7 2HD1 LEU 7 4.345 5.247 -0.811 68 HD13 LEU 7 3HD1 LEU 7 4.642 5.788 0.841 69 HD21 LEU 7 3HD2 LEU 7 4.121 7.788 1.582 70 HD22 LEU 7 1HD2 LEU 7 2.378 7.510 1.534 71 HD23 LEU 7 2HD2 LEU 7 3.064 8.931 0.748 72 H ASN 8 H ASN 8 0.953 9.401 -3.257 73 HA ASN 8 HA ASN 8 2.552 10.778 -5.312 74 HB2 ASN 8 2HB ASN 8 -0.113 9.768 -5.356 75 HB3 ASN 8 1HB ASN 8 -0.203 11.524 -5.461 76 HD21 ASN 8 1HD2 ASN 8 0.053 8.755 -7.206 77 HD22 ASN 8 2HD2 ASN 8 0.733 9.397 -8.668 78 H LEU 9 H LEU 9 3.552 12.397 -4.250 79 HA LEU 9 HA LEU 9 2.047 14.033 -2.360 80 HG LEU 9 HG LEU 9 4.069 12.512 -0.997 81 HB2 LEU 9 2HB LEU 9 4.920 13.611 -2.973 82 HB3 LEU 9 1HB LEU 9 4.454 15.177 -2.346 83 HD11 LEU 9 1HD1 LEU 9 6.356 13.567 -1.017 84 HD12 LEU 9 2HD1 LEU 9 5.675 13.245 0.572 85 HD13 LEU 9 3HD1 LEU 9 5.659 14.885 -0.072 86 HD21 LEU 9 3HD2 LEU 9 2.853 15.163 -0.516 87 HD22 LEU 9 1HD2 LEU 9 3.447 14.297 0.899 88 HD23 LEU 9 2HD2 LEU 9 2.243 13.547 -0.150 89 H LYS 10 H LYS 10 2.435 16.445 -2.496 90 HA LYS 10 HA LYS 10 1.677 17.314 -5.143 91 HB2 LYS 10 2HB LYS 10 1.534 18.373 -2.417 92 HB3 LYS 10 1HB LYS 10 1.927 19.599 -3.618 93 HG2 LYS 10 2HG LYS 10 -0.248 17.874 -4.464 94 HG3 LYS 10 1HG LYS 10 -0.594 18.717 -2.947 95 HD2 LYS 10 2HD LYS 10 0.284 20.810 -4.195 96 HD3 LYS 10 1HD LYS 10 0.007 19.858 -5.654 97 HE2 LYS 10 2HE LYS 10 -1.959 21.121 -5.304 98 HE3 LYS 10 1HE LYS 10 -2.342 19.479 -4.804 99 HZ1 LYS 10 3HZ LYS 10 -1.399 21.426 -2.812 100 HZ2 LYS 10 1HZ LYS 10 -2.373 20.055 -2.593 101 HZ3 LYS 10 2HZ LYS 10 -3.017 21.451 -3.304 102 H GLN 11 H GLN 11 4.549 17.220 -3.255 103 HA GLN 11 HA GLN 11 5.870 19.222 -4.935 104 HB2 GLN 11 2HB GLN 11 7.062 17.699 -2.617 105 HB3 GLN 11 1HB GLN 11 7.667 19.171 -3.358 106 HG2 GLN 11 2HG GLN 11 4.951 19.173 -2.132 107 HG3 GLN 11 1HG GLN 11 6.370 19.238 -1.089 108 HE21 GLN 11 1HE2 GLN 11 6.836 21.222 -0.503 109 HE22 GLN 11 2HE2 GLN 11 6.673 22.642 -1.472 110 H ALA 12 H ALA 12 5.966 15.780 -4.169 111 HA ALA 12 HA ALA 12 7.410 15.297 -6.645 112 HB1 ALA 12 1HB ALA 12 9.240 14.189 -5.737 113 HB2 ALA 12 2HB ALA 12 8.466 13.997 -4.164 114 HB3 ALA 12 3HB ALA 12 9.046 15.582 -4.674 115 H LYS 13 H LYS 13 7.841 12.744 -6.713 116 HA LYS 13 HA LYS 13 5.395 11.391 -5.779 117 HB2 LYS 13 2HB LYS 13 6.595 10.927 -8.508 118 HB3 LYS 13 1HB LYS 13 5.042 10.360 -7.896 119 HG2 LYS 13 2HG LYS 13 4.318 12.098 -9.162 120 HG3 LYS 13 1HG LYS 13 4.622 12.974 -7.661 121 HD2 LYS 13 2HD LYS 13 5.586 14.227 -9.455 122 HD3 LYS 13 1HD LYS 13 6.904 13.513 -8.523 123 HE2 LYS 13 2HE LYS 13 6.126 11.676 -10.562 124 HE3 LYS 13 1HE LYS 13 6.368 13.268 -11.293 125 HZ1 LYS 13 3HZ LYS 13 8.328 11.830 -9.585 126 HZ2 LYS 13 1HZ LYS 13 8.556 13.358 -10.272 127 HZ3 LYS 13 2HZ LYS 13 8.415 11.999 -11.267 128 H GLU 14 H GLU 14 6.053 9.871 -4.420 129 HA GLU 14 HA GLU 14 8.543 8.422 -5.005 130 HB2 GLU 14 2HB GLU 14 7.068 8.894 -2.417 131 HB3 GLU 14 1HB GLU 14 8.390 7.745 -2.567 132 HG2 GLU 14 2HG GLU 14 8.580 10.694 -3.131 133 HG3 GLU 14 1HG GLU 14 9.099 9.897 -1.645 134 H GLU 15 H GLU 15 8.443 6.364 -5.599 135 HA GLU 15 HA GLU 15 6.191 4.705 -4.755 136 HB2 GLU 15 2HB GLU 15 7.057 4.900 -7.646 137 HB3 GLU 15 1HB GLU 15 5.774 3.884 -7.002 138 HG2 GLU 15 2HG GLU 15 4.417 5.540 -7.615 139 HG3 GLU 15 1HG GLU 15 4.997 6.359 -6.167 140 H ALA 16 H ALA 16 6.738 2.600 -4.385 141 HA ALA 16 HA ALA 16 9.175 1.486 -5.482 142 HB1 ALA 16 1HB ALA 16 9.122 1.288 -2.540 143 HB2 ALA 16 2HB ALA 16 9.529 2.872 -3.205 144 HB3 ALA 16 3HB ALA 16 10.486 1.458 -3.647 145 H ILE 17 H ILE 17 9.563 -0.758 -4.320 146 HA ILE 17 HA ILE 17 6.968 -2.058 -3.838 147 HB ILE 17 HB ILE 17 9.140 -3.267 -5.551 148 HG12 ILE 17 2HG1 ILE 17 8.212 -1.372 -6.744 149 HG13 ILE 17 1HG1 ILE 17 7.591 -2.859 -7.455 150 HG21 ILE 17 1HG2 ILE 17 7.977 -5.071 -4.783 151 HG22 ILE 17 2HG2 ILE 17 6.987 -4.659 -6.185 152 HG23 ILE 17 3HG2 ILE 17 6.484 -4.160 -4.570 153 HD11 ILE 17 3HD1 ILE 17 5.532 -2.111 -7.180 154 HD12 ILE 17 1HD1 ILE 17 6.156 -0.642 -6.432 155 HD13 ILE 17 2HD1 ILE 17 5.783 -2.048 -5.438 156 H LYS 18 H LYS 18 6.973 -3.644 -2.298 157 HA LYS 18 HA LYS 18 9.574 -4.357 -1.111 158 HB2 LYS 18 2HB LYS 18 7.129 -4.153 0.603 159 HB3 LYS 18 1HB LYS 18 8.820 -4.019 1.058 160 HG2 LYS 18 2HG LYS 18 7.729 -1.919 -0.727 161 HG3 LYS 18 1HG LYS 18 7.192 -1.930 0.953 162 HD2 LYS 18 2HD LYS 18 9.043 -0.669 1.247 163 HD3 LYS 18 1HD LYS 18 9.832 -2.246 1.323 164 HE2 LYS 18 2HE LYS 18 9.504 -1.189 -1.389 165 HE3 LYS 18 1HE LYS 18 10.534 -0.205 -0.350 166 HZ1 LYS 18 3HZ LYS 18 10.946 -2.929 -1.330 167 HZ2 LYS 18 1HZ LYS 18 11.554 -2.542 0.202 168 HZ3 LYS 18 2HZ LYS 18 12.055 -1.666 -1.154 169 H GLU 19 H GLU 19 9.261 -6.292 0.450 170 HA GLU 19 HA GLU 19 7.491 -8.259 -0.849 171 HB2 GLU 19 2HB GLU 19 10.241 -8.305 -0.839 172 HB3 GLU 19 1HB GLU 19 9.843 -9.348 0.520 173 HG2 GLU 19 2HG GLU 19 8.252 -9.883 -1.865 174 HG3 GLU 19 1HG GLU 19 9.985 -10.119 -2.094 175 H LEU 20 H LEU 20 6.031 -9.167 0.432 176 HA LEU 20 HA LEU 20 6.607 -9.503 3.278 177 HG LEU 20 HG LEU 20 6.503 -6.933 2.904 178 HB2 LEU 20 2HB LEU 20 4.125 -8.163 2.200 179 HB3 LEU 20 1HB LEU 20 4.353 -8.654 3.870 180 HD11 LEU 20 1HD1 LEU 20 5.225 -5.519 1.731 181 HD12 LEU 20 2HD1 LEU 20 4.657 -4.979 3.312 182 HD13 LEU 20 3HD1 LEU 20 3.724 -6.162 2.393 183 HD21 LEU 20 3HD2 LEU 20 5.824 -7.664 5.287 184 HD22 LEU 20 1HD2 LEU 20 4.622 -6.379 5.164 185 HD23 LEU 20 2HD2 LEU 20 6.338 -5.998 5.020 186 H VAL 21 H VAL 21 4.296 -10.558 4.184 187 HA VAL 21 HA VAL 21 3.965 -12.932 2.474 188 HB VAL 21 HB VAL 21 3.439 -12.762 5.440 189 HG11 VAL 21 1HG1 VAL 21 2.295 -14.623 4.791 190 HG12 VAL 21 2HG1 VAL 21 3.894 -15.333 5.009 191 HG13 VAL 21 3HG1 VAL 21 3.330 -14.908 3.392 192 HG21 VAL 21 3HG2 VAL 21 5.911 -13.651 3.965 193 HG22 VAL 21 1HG2 VAL 21 5.591 -14.013 5.660 194 HG23 VAL 21 2HG2 VAL 21 5.775 -12.339 5.133 195 H ASP 22 H ASP 22 2.237 -10.501 4.338 196 HA ASP 22 HA ASP 22 -0.205 -11.212 2.906 197 HB2 ASP 22 2HB ASP 22 0.126 -12.128 5.460 198 HB3 ASP 22 1HB ASP 22 -0.680 -10.585 5.745 199 H ALA 23 H ALA 23 -2.002 -9.520 3.712 200 HA ALA 23 HA ALA 23 -0.866 -6.943 3.071 201 HB1 ALA 23 1HB ALA 23 -3.725 -7.078 3.744 202 HB2 ALA 23 2HB ALA 23 -3.211 -8.093 2.395 203 HB3 ALA 23 3HB ALA 23 -2.911 -6.353 2.357 204 H ALA 24 H ALA 24 -2.612 -8.401 5.802 205 HA ALA 24 HA ALA 24 -2.953 -6.218 7.432 206 HB1 ALA 24 1HB ALA 24 -1.990 -8.889 8.443 207 HB2 ALA 24 2HB ALA 24 -3.646 -8.590 7.914 208 HB3 ALA 24 3HB ALA 24 -2.988 -7.709 9.292 209 H THR 25 H THR 25 -0.070 -8.269 7.165 210 HA THR 25 HA THR 25 1.496 -6.649 8.909 211 HB THR 25 HB THR 25 2.037 -8.954 7.075 212 HG1 THR 25 1HG THR 25 2.679 -8.481 9.794 213 HG21 THR 25 3HG2 THR 25 4.406 -8.921 7.558 214 HG22 THR 25 1HG2 THR 25 4.235 -7.379 8.395 215 HG23 THR 25 2HG2 THR 25 3.938 -7.477 6.656 216 H ALA 26 H ALA 26 1.095 -6.924 5.404 217 HA ALA 26 HA ALA 26 3.127 -5.239 4.561 218 HB1 ALA 26 1HB ALA 26 0.337 -5.454 3.406 219 HB2 ALA 26 2HB ALA 26 1.697 -6.510 3.018 220 HB3 ALA 26 3HB ALA 26 1.749 -4.804 2.578 221 H GLU 27 H GLU 27 -0.214 -4.429 5.378 222 HA GLU 27 HA GLU 27 -0.160 -1.687 5.145 223 HB2 GLU 27 2HB GLU 27 -2.193 -2.986 5.591 224 HB3 GLU 27 1HB GLU 27 -1.598 -3.382 7.199 225 HG2 GLU 27 2HG GLU 27 -2.426 -1.505 8.033 226 HG3 GLU 27 1HG GLU 27 -1.610 -0.534 6.808 227 H LYS 28 H LYS 28 1.023 -3.748 7.734 228 HA LYS 28 HA LYS 28 1.480 -1.691 9.629 229 HB2 LYS 28 2HB LYS 28 1.980 -4.524 9.413 230 HB3 LYS 28 1HB LYS 28 3.397 -3.710 10.061 231 HG2 LYS 28 2HG LYS 28 2.363 -3.966 12.026 232 HG3 LYS 28 1HG LYS 28 1.430 -2.556 11.522 233 HD2 LYS 28 2HD LYS 28 -0.197 -4.101 12.176 234 HD3 LYS 28 1HD LYS 28 -0.156 -4.252 10.418 235 HE2 LYS 28 2HE LYS 28 1.633 -6.106 10.958 236 HE3 LYS 28 1HE LYS 28 0.809 -6.135 12.515 237 HZ1 LYS 28 3HZ LYS 28 -0.930 -7.184 11.637 238 HZ2 LYS 28 1HZ LYS 28 0.047 -7.494 10.293 239 HZ3 LYS 28 2HZ LYS 28 -1.000 -6.166 10.290 240 H TYR 29 H TYR 29 3.613 -3.337 7.332 241 HA TYR 29 HA TYR 29 5.872 -1.680 7.863 242 HD1 TYR 29 1HD TYR 29 6.318 -1.526 4.147 243 HD2 TYR 29 2HD TYR 29 8.431 -3.840 7.024 244 HE1 TYR 29 1HE TYR 29 8.439 -0.855 3.117 245 HE2 TYR 29 2HE TYR 29 10.564 -3.176 5.998 246 HH TYR 29 HH TYR 29 10.733 -1.596 2.962 247 HB2 TYR 29 2HB TYR 29 6.103 -3.958 6.963 248 HB3 TYR 29 1HB TYR 29 5.255 -3.467 5.498 249 H PHE 30 H PHE 30 3.859 -2.000 4.954 250 HA PHE 30 HA PHE 30 4.777 0.121 3.512 251 HD1 PHE 30 2HD PHE 30 5.241 -0.091 1.974 252 HD2 PHE 30 1HD PHE 30 1.562 -2.096 1.200 253 HE1 PHE 30 2HE PHE 30 6.082 -0.771 -0.224 254 HE2 PHE 30 1HE PHE 30 2.404 -2.773 -1.006 255 HZ PHE 30 HZ PHE 30 4.665 -2.113 -1.721 256 HB2 PHE 30 2HB PHE 30 2.362 -1.508 3.551 257 HB3 PHE 30 1HB PHE 30 2.049 0.116 2.954 258 H LYS 31 H LYS 31 2.125 0.249 5.896 259 HA LYS 31 HA LYS 31 1.567 2.981 5.553 260 HB2 LYS 31 2HB LYS 31 0.095 1.370 6.752 261 HB3 LYS 31 1HB LYS 31 1.246 1.371 8.089 262 HG2 LYS 31 2HG LYS 31 0.421 4.050 7.327 263 HG3 LYS 31 1HG LYS 31 -0.936 3.027 7.804 264 HD2 LYS 31 2HD LYS 31 -0.404 3.344 9.938 265 HD3 LYS 31 1HD LYS 31 1.152 2.562 9.655 266 HE2 LYS 31 2HE LYS 31 1.773 4.940 8.689 267 HE3 LYS 31 1HE LYS 31 0.460 5.455 9.748 268 HZ1 LYS 31 3HZ LYS 31 1.757 3.982 11.457 269 HZ2 LYS 31 1HZ LYS 31 2.220 5.585 11.165 270 HZ3 LYS 31 2HZ LYS 31 3.066 4.315 10.439 271 H LEU 32 H LEU 32 3.839 1.303 7.674 272 HA LEU 32 HA LEU 32 4.656 3.547 9.164 273 HG LEU 32 HG LEU 32 5.460 2.874 10.988 274 HB2 LEU 32 2HB LEU 32 5.374 0.798 8.937 275 HB3 LEU 32 1HB LEU 32 6.840 1.751 8.873 276 HD11 LEU 32 1HD1 LEU 32 5.047 0.766 12.387 277 HD12 LEU 32 2HD1 LEU 32 4.938 -0.072 10.840 278 HD13 LEU 32 3HD1 LEU 32 3.818 1.240 11.212 279 HD21 LEU 32 3HD2 LEU 32 7.875 2.380 10.821 280 HD22 LEU 32 1HD2 LEU 32 7.522 0.679 11.112 281 HD23 LEU 32 2HD2 LEU 32 7.178 1.875 12.361 282 H TYR 33 H TYR 33 5.478 2.427 5.980 283 HA TYR 33 HA TYR 33 7.866 4.000 5.732 284 HD1 TYR 33 2HD TYR 33 5.901 4.354 2.180 285 HD2 TYR 33 1HD TYR 33 9.716 2.803 3.258 286 HE1 TYR 33 2HE TYR 33 6.889 5.415 0.198 287 HE2 TYR 33 1HE TYR 33 10.713 3.862 1.276 288 HH TYR 33 HH TYR 33 9.023 4.925 -1.286 289 HB2 TYR 33 2HB TYR 33 7.797 2.048 4.391 290 HB3 TYR 33 1HB TYR 33 6.178 2.424 3.792 291 H ALA 34 H ALA 34 4.653 4.185 4.202 292 HA ALA 34 HA ALA 34 5.000 6.605 2.897 293 HB1 ALA 34 1HB ALA 34 3.099 5.614 2.178 294 HB2 ALA 34 2HB ALA 34 2.372 6.700 3.364 295 HB3 ALA 34 3HB ALA 34 2.673 5.012 3.781 296 H ASN 35 H ASN 35 4.204 5.976 6.251 297 HA ASN 35 HA ASN 35 3.470 8.701 6.816 298 HB2 ASN 35 2HB ASN 35 2.653 6.594 8.036 299 HB3 ASN 35 1HB ASN 35 4.203 6.627 8.871 300 HD21 ASN 35 1HD2 ASN 35 1.051 7.689 8.911 301 HD22 ASN 35 2HD2 ASN 35 1.205 8.941 10.092 302 H ALA 36 H ALA 36 6.388 6.791 6.948 303 HA ALA 36 HA ALA 36 7.795 8.852 8.459 304 HB1 ALA 36 1HB ALA 36 9.745 7.152 8.009 305 HB2 ALA 36 2HB ALA 36 8.412 6.058 7.641 306 HB3 ALA 36 3HB ALA 36 8.514 6.819 9.229 307 H LYS 37 H LYS 37 8.186 7.174 5.340 308 HA LYS 37 HA LYS 37 10.284 8.712 4.361 309 HB2 LYS 37 2HB LYS 37 8.486 6.725 3.344 310 HB3 LYS 37 1HB LYS 37 8.660 8.006 2.153 311 HG2 LYS 37 2HG LYS 37 10.324 6.448 1.631 312 HG3 LYS 37 1HG LYS 37 11.166 7.752 2.469 313 HD2 LYS 37 2HD LYS 37 11.258 6.485 4.495 314 HD3 LYS 37 1HD LYS 37 10.205 5.238 3.823 315 HE2 LYS 37 2HE LYS 37 12.101 5.099 1.999 316 HE3 LYS 37 1HE LYS 37 13.082 5.796 3.290 317 HZ1 LYS 37 3HZ LYS 37 11.858 3.840 4.608 318 HZ2 LYS 37 1HZ LYS 37 13.345 3.639 3.826 319 HZ3 LYS 37 2HZ LYS 37 11.918 3.142 3.069 320 H THR 38 H THR 38 6.870 9.038 3.327 321 HA THR 38 HA THR 38 7.450 11.861 2.736 322 HB THR 38 HB THR 38 5.177 11.516 1.407 323 HG1 THR 38 1HG THR 38 5.174 9.380 0.536 324 HG21 THR 38 3HG2 THR 38 7.637 10.287 0.225 325 HG22 THR 38 1HG2 THR 38 7.494 12.023 0.491 326 HG23 THR 38 2HG2 THR 38 6.359 11.200 -0.578 327 H VAL 39 H VAL 39 4.252 10.408 3.094 328 HA VAL 39 HA VAL 39 3.720 11.294 5.711 329 HB VAL 39 HB VAL 39 3.975 13.530 4.707 330 HG11 VAL 39 1HG1 VAL 39 2.931 14.239 2.835 331 HG12 VAL 39 2HG1 VAL 39 1.469 13.306 3.164 332 HG13 VAL 39 3HG1 VAL 39 2.885 12.515 2.474 333 HG21 VAL 39 3HG2 VAL 39 1.063 13.136 5.299 334 HG22 VAL 39 1HG2 VAL 39 2.109 14.490 5.725 335 HG23 VAL 39 2HG2 VAL 39 2.289 12.941 6.549 336 H GLU 40 H GLU 40 1.385 11.180 6.245 337 HA GLU 40 HA GLU 40 0.103 9.140 4.592 338 HB2 GLU 40 2HB GLU 40 0.388 8.633 6.965 339 HB3 GLU 40 1HB GLU 40 -0.512 10.080 7.398 340 HG2 GLU 40 2HG GLU 40 -2.108 8.530 5.633 341 HG3 GLU 40 1HG GLU 40 -1.484 7.474 6.898 342 H GLY 41 H GLY 41 -1.957 9.321 3.781 343 HA2 GLY 41 2HA GLY 41 -3.641 11.580 4.318 344 HA3 GLY 41 1HA GLY 41 -2.846 11.695 2.750 345 H VAL 42 H VAL 42 -4.305 11.188 1.230 346 HA VAL 42 HA VAL 42 -6.551 9.535 1.643 347 HB VAL 42 HB VAL 42 -5.221 10.080 -1.019 348 HG11 VAL 42 1HG1 VAL 42 -8.149 9.952 -0.794 349 HG12 VAL 42 2HG1 VAL 42 -7.311 8.438 -0.480 350 HG13 VAL 42 3HG1 VAL 42 -7.070 9.274 -2.013 351 HG21 VAL 42 3HG2 VAL 42 -7.478 11.774 -0.258 352 HG22 VAL 42 1HG2 VAL 42 -5.949 12.198 -1.027 353 HG23 VAL 42 2HG2 VAL 42 -6.040 12.026 0.726 354 H TRP 43 H TRP 43 -6.928 7.397 1.190 355 HA TRP 43 HA TRP 43 -4.581 5.781 0.505 356 HD1 TRP 43 HD TRP 43 -4.885 7.028 4.249 357 HE1 TRP 43 1HE TRP 43 -2.526 6.627 5.202 358 HE3 TRP 43 3HE TRP 43 -3.605 2.932 1.505 359 HZ2 TRP 43 2HZ TRP 43 -0.400 4.803 4.831 360 HZ3 TRP 43 3HZ TRP 43 -1.389 1.909 1.855 361 HH2 TRP 43 HH TRP 43 0.180 2.828 3.487 362 HB2 TRP 43 2HB TRP 43 -6.497 5.566 2.768 363 HB3 TRP 43 1HB TRP 43 -5.862 4.073 2.084 364 H THR 44 H THR 44 -4.892 3.965 -0.719 365 HA THR 44 HA THR 44 -7.523 3.065 -1.458 366 HB THR 44 HB THR 44 -6.188 3.512 -3.954 367 HG1 THR 44 1HG THR 44 -5.224 5.281 -2.789 368 HG21 THR 44 3HG2 THR 44 -8.290 3.758 -4.569 369 HG22 THR 44 1HG2 THR 44 -8.390 5.267 -3.661 370 HG23 THR 44 2HG2 THR 44 -8.789 3.738 -2.876 371 H TYR 45 H TYR 45 -7.471 0.929 -1.905 372 HA TYR 45 HA TYR 45 -4.811 -0.289 -2.230 373 HD1 TYR 45 2HD TYR 45 -3.672 -2.051 -0.701 374 HD2 TYR 45 1HD TYR 45 -7.454 -3.731 -1.681 375 HE1 TYR 45 2HE TYR 45 -2.637 -4.279 -0.842 376 HE2 TYR 45 1HE TYR 45 -6.433 -5.962 -1.822 377 HH TYR 45 HH TYR 45 -4.224 -6.957 -2.201 378 HB2 TYR 45 2HB TYR 45 -5.957 -0.916 -0.159 379 HB3 TYR 45 1HB TYR 45 -7.340 -1.491 -1.085 380 H LYS 46 H LYS 46 -4.489 -1.940 -3.706 381 HA LYS 46 HA LYS 46 -6.576 -2.201 -5.771 382 HB2 LYS 46 2HB LYS 46 -3.612 -2.538 -6.224 383 HB3 LYS 46 1HB LYS 46 -4.878 -2.379 -7.429 384 HG2 LYS 46 2HG LYS 46 -4.879 -0.092 -5.697 385 HG3 LYS 46 1HG LYS 46 -3.268 -0.358 -6.371 386 HD2 LYS 46 2HD LYS 46 -4.029 -0.152 -8.568 387 HD3 LYS 46 1HD LYS 46 -5.711 -0.419 -8.108 388 HE2 LYS 46 2HE LYS 46 -5.885 1.734 -7.145 389 HE3 LYS 46 1HE LYS 46 -4.137 1.975 -7.192 390 HZ1 LYS 46 3HZ LYS 46 -5.687 1.597 -9.674 391 HZ2 LYS 46 1HZ LYS 46 -4.169 2.317 -9.470 392 HZ3 LYS 46 2HZ LYS 46 -5.562 3.122 -8.947 393 H ASP 47 H ASP 47 -7.380 -4.173 -6.054 394 HA ASP 47 HA ASP 47 -6.077 -6.427 -4.738 395 HB2 ASP 47 2HB ASP 47 -8.822 -5.706 -5.426 396 HB3 ASP 47 1HB ASP 47 -8.434 -7.382 -5.824 397 H GLU 48 H GLU 48 -5.153 -5.223 -7.334 398 HA GLU 48 HA GLU 48 -5.690 -7.313 -9.269 399 HB2 GLU 48 2HB GLU 48 -4.473 -4.639 -9.301 400 HB3 GLU 48 1HB GLU 48 -3.676 -5.799 -10.353 401 HG2 GLU 48 2HG GLU 48 -5.527 -6.051 -11.699 402 HG3 GLU 48 1HG GLU 48 -6.644 -5.521 -10.443 403 H THR 49 H THR 49 -3.104 -6.273 -7.153 404 HA THR 49 HA THR 49 -1.882 -8.851 -7.201 405 HB THR 49 HB THR 49 -0.136 -6.630 -8.238 406 HG1 THR 49 1HG THR 49 -0.479 -7.537 -10.316 407 HG21 THR 49 3HG2 THR 49 1.411 -8.188 -7.886 408 HG22 THR 49 1HG2 THR 49 0.740 -8.988 -9.304 409 HG23 THR 49 2HG2 THR 49 0.212 -9.466 -7.692 410 H LYS 50 H LYS 50 -2.979 -6.990 -5.287 411 HA LYS 50 HA LYS 50 -2.562 -6.220 -3.189 412 HB2 LYS 50 2HB LYS 50 -0.254 -8.073 -3.644 413 HB3 LYS 50 1HB LYS 50 -0.284 -7.073 -2.199 414 HG2 LYS 50 2HG LYS 50 -1.741 -8.418 -1.203 415 HG3 LYS 50 1HG LYS 50 -2.820 -8.388 -2.600 416 HD2 LYS 50 2HD LYS 50 -0.332 -10.078 -2.517 417 HD3 LYS 50 1HD LYS 50 -1.890 -10.656 -1.916 418 HE2 LYS 50 2HE LYS 50 -1.799 -9.462 -4.636 419 HE3 LYS 50 1HE LYS 50 -1.096 -11.065 -4.418 420 HZ1 LYS 50 3HZ LYS 50 -3.101 -11.993 -4.079 421 HZ2 LYS 50 1HZ LYS 50 -3.668 -10.649 -4.936 422 HZ3 LYS 50 2HZ LYS 50 -3.722 -10.660 -3.246 423 H THR 51 H THR 51 -2.434 -4.065 -4.040 424 HA THR 51 HA THR 51 0.215 -2.905 -3.635 425 HB THR 51 HB THR 51 -1.482 -2.349 -6.074 426 HG1 THR 51 1HG THR 51 -0.311 -3.812 -6.977 427 HG21 THR 51 3HG2 THR 51 1.050 -1.320 -6.487 428 HG22 THR 51 1HG2 THR 51 0.630 -0.810 -4.853 429 HG23 THR 51 2HG2 THR 51 -0.433 -0.408 -6.203 430 H PHE 52 H PHE 52 0.156 -1.111 -2.453 431 HA PHE 52 HA PHE 52 -2.455 0.095 -1.878 432 HD1 PHE 52 2HD PHE 52 -0.331 -2.395 -0.419 433 HD2 PHE 52 1HD PHE 52 -2.766 0.519 1.502 434 HE1 PHE 52 2HE PHE 52 -1.292 -4.145 1.016 435 HE2 PHE 52 1HE PHE 52 -3.728 -1.226 2.943 436 HZ PHE 52 HZ PHE 52 -2.994 -3.565 2.697 437 HB2 PHE 52 2HB PHE 52 0.186 0.123 -0.420 438 HB3 PHE 52 1HB PHE 52 -1.136 1.212 0.009 439 H THR 53 H THR 53 -2.730 2.377 -1.925 440 HA THR 53 HA THR 53 -0.608 3.957 -3.160 441 HB THR 53 HB THR 53 -1.752 3.301 -5.120 442 HG1 THR 53 1HG THR 53 -1.483 5.639 -4.763 443 HG21 THR 53 3HG2 THR 53 -4.255 3.767 -5.329 444 HG22 THR 53 1HG2 THR 53 -4.267 3.740 -3.566 445 HG23 THR 53 2HG2 THR 53 -3.750 2.316 -4.465 446 H VAL 54 H VAL 54 -0.345 5.457 -1.633 447 HA VAL 54 HA VAL 54 -2.749 6.836 -0.618 448 HB VAL 54 HB VAL 54 -1.662 5.616 1.179 449 HG11 VAL 54 1HG1 VAL 54 0.819 7.141 0.406 450 HG12 VAL 54 2HG1 VAL 54 0.558 5.404 0.263 451 HG13 VAL 54 3HG1 VAL 54 0.648 6.153 1.856 452 HG21 VAL 54 3HG2 VAL 54 -1.857 8.523 1.149 453 HG22 VAL 54 1HG2 VAL 54 -0.725 7.929 2.360 454 HG23 VAL 54 2HG2 VAL 54 -2.396 7.367 2.364 455 H THR 55 H THR 55 -2.879 8.974 -0.988 456 HA THR 55 HA THR 55 -0.425 10.433 -1.664 457 HB THR 55 HB THR 55 -1.299 10.101 -3.802 458 HG1 THR 55 1HG THR 55 -2.572 12.498 -3.026 459 HG21 THR 55 3HG2 THR 55 -3.928 10.980 -3.852 460 HG22 THR 55 1HG2 THR 55 -3.824 9.907 -2.459 461 HG23 THR 55 2HG2 THR 55 -3.349 9.331 -4.055 462 H GLU 56 H GLU 56 -0.780 12.845 -1.623 463 HA GLU 56 HA GLU 56 -2.571 13.509 0.613 464 HB2 GLU 56 2HB GLU 56 0.097 13.820 0.572 465 HB3 GLU 56 1HB GLU 56 -0.376 15.360 -0.129 466 HG2 GLU 56 2HG GLU 56 -2.048 15.039 2.062 467 HG3 GLU 56 1HG GLU 56 -0.479 14.472 2.611 Start of MODEL 10 1 HA THR 1 HA THR 1 4.854 -12.936 -2.839 2 HB THR 1 HB THR 1 2.823 -11.114 -2.310 3 HG1 THR 1 1HG THR 1 2.686 -13.181 -0.377 4 H1 THR 1 1HT THR 1 4.644 -12.372 0.038 5 H2 THR 1 2HT THR 1 6.079 -12.907 -0.734 6 H3 THR 1 3HT THR 1 4.679 -13.897 -0.744 7 HG21 THR 1 3HG2 THR 1 1.514 -13.529 -2.297 8 HG22 THR 1 1HG2 THR 1 3.011 -13.878 -3.162 9 HG23 THR 1 2HG2 THR 1 1.951 -12.586 -3.723 10 H THR 2 H THR 2 4.062 -10.516 -3.752 11 HA THR 2 HA THR 2 6.177 -8.692 -2.818 12 HB THR 2 HB THR 2 5.100 -8.947 -5.632 13 HG1 THR 2 1HG THR 2 6.352 -10.746 -5.086 14 HG21 THR 2 3HG2 THR 2 6.095 -6.718 -4.877 15 HG22 THR 2 1HG2 THR 2 6.736 -7.460 -6.341 16 HG23 THR 2 2HG2 THR 2 7.635 -7.575 -4.826 17 H TYR 3 H TYR 3 5.393 -6.950 -1.867 18 HA TYR 3 HA TYR 3 2.698 -6.026 -2.552 19 HD1 TYR 3 1HD TYR 3 0.952 -4.657 -0.795 20 HD2 TYR 3 2HD TYR 3 3.215 -7.900 0.772 21 HE1 TYR 3 1HE TYR 3 -1.118 -5.688 0.045 22 HE2 TYR 3 2HE TYR 3 1.156 -8.936 1.618 23 HH TYR 3 HH TYR 3 -1.219 -8.907 1.214 24 HB2 TYR 3 2HB TYR 3 4.330 -6.051 -0.106 25 HB3 TYR 3 1HB TYR 3 3.471 -4.534 -0.383 26 H LYS 4 H LYS 4 2.328 -4.091 -3.484 27 HA LYS 4 HA LYS 4 4.672 -2.386 -4.003 28 HB2 LYS 4 2HB LYS 4 3.205 -3.636 -5.877 29 HB3 LYS 4 1HB LYS 4 2.285 -2.144 -5.738 30 HG2 LYS 4 2HG LYS 4 4.016 -0.842 -6.519 31 HG3 LYS 4 1HG LYS 4 5.246 -2.027 -6.081 32 HD2 LYS 4 2HD LYS 4 4.417 -3.512 -7.866 33 HD3 LYS 4 1HD LYS 4 3.238 -2.281 -8.321 34 HE2 LYS 4 2HE LYS 4 5.670 -0.936 -8.270 35 HE3 LYS 4 1HE LYS 4 6.045 -2.497 -8.995 36 HZ1 LYS 4 3HZ LYS 4 5.303 -0.632 -10.531 37 HZ2 LYS 4 1HZ LYS 4 3.747 -0.883 -9.915 38 HZ3 LYS 4 2HZ LYS 4 4.550 -2.132 -10.717 39 H LEU 5 H LEU 5 4.605 -0.271 -3.511 40 HA LEU 5 HA LEU 5 2.043 0.939 -2.768 41 HG LEU 5 HG LEU 5 3.716 3.156 -0.875 42 HB2 LEU 5 2HB LEU 5 2.956 0.241 -0.663 43 HB3 LEU 5 1HB LEU 5 4.534 0.907 -1.073 44 HD11 LEU 5 1HD1 LEU 5 1.602 3.514 -1.497 45 HD12 LEU 5 2HD1 LEU 5 1.174 3.063 0.151 46 HD13 LEU 5 3HD1 LEU 5 1.121 1.858 -1.134 47 HD21 LEU 5 3HD2 LEU 5 4.184 1.607 1.197 48 HD22 LEU 5 1HD2 LEU 5 2.468 1.875 1.503 49 HD23 LEU 5 2HD2 LEU 5 3.570 3.248 1.407 50 H ILE 6 H ILE 6 1.810 2.988 -3.458 51 HA ILE 6 HA ILE 6 4.202 4.461 -4.310 52 HB ILE 6 HB ILE 6 3.001 5.264 -6.318 53 HG12 ILE 6 2HG1 ILE 6 1.079 3.366 -6.826 54 HG13 ILE 6 1HG1 ILE 6 0.853 3.670 -5.108 55 HG21 ILE 6 1HG2 ILE 6 4.405 2.967 -6.000 56 HG22 ILE 6 2HG2 ILE 6 3.859 3.596 -7.553 57 HG23 ILE 6 3HG2 ILE 6 2.918 2.358 -6.726 58 HD11 ILE 6 3HD1 ILE 6 1.146 6.104 -6.670 59 HD12 ILE 6 1HD1 ILE 6 -0.077 5.656 -5.484 60 HD13 ILE 6 2HD1 ILE 6 -0.233 5.121 -7.157 61 H LEU 7 H LEU 7 4.229 6.526 -3.670 62 HA LEU 7 HA LEU 7 1.713 7.677 -2.667 63 HG LEU 7 HG LEU 7 2.380 6.388 -0.707 64 HB2 LEU 7 2HB LEU 7 4.521 8.156 -1.671 65 HB3 LEU 7 1HB LEU 7 3.086 9.007 -1.106 66 HD11 LEU 7 1HD1 LEU 7 4.534 5.687 0.673 67 HD12 LEU 7 2HD1 LEU 7 5.335 6.616 -0.597 68 HD13 LEU 7 3HD1 LEU 7 4.316 5.239 -1.022 69 HD21 LEU 7 3HD2 LEU 7 2.678 8.664 0.779 70 HD22 LEU 7 1HD2 LEU 7 3.821 7.564 1.546 71 HD23 LEU 7 2HD2 LEU 7 2.125 7.110 1.395 72 H ASN 8 H ASN 8 1.095 9.622 -3.405 73 HA ASN 8 HA ASN 8 2.987 11.079 -5.133 74 HB2 ASN 8 2HB ASN 8 -0.013 11.045 -5.481 75 HB3 ASN 8 1HB ASN 8 1.190 11.692 -6.590 76 HD21 ASN 8 1HD2 ASN 8 -0.914 9.335 -6.358 77 HD22 ASN 8 2HD2 ASN 8 -0.079 8.046 -7.172 78 H LEU 9 H LEU 9 3.353 13.149 -4.643 79 HA LEU 9 HA LEU 9 1.541 14.458 -2.719 80 HG LEU 9 HG LEU 9 4.136 12.682 -2.014 81 HB2 LEU 9 2HB LEU 9 4.506 14.930 -2.969 82 HB3 LEU 9 1HB LEU 9 3.431 15.604 -1.760 83 HD11 LEU 9 1HD1 LEU 9 6.039 14.035 -1.296 84 HD12 LEU 9 2HD1 LEU 9 5.436 13.022 0.018 85 HD13 LEU 9 3HD1 LEU 9 5.049 14.739 -0.014 86 HD21 LEU 9 3HD2 LEU 9 1.879 13.717 -0.924 87 HD22 LEU 9 1HD2 LEU 9 2.967 13.736 0.464 88 HD23 LEU 9 2HD2 LEU 9 2.653 12.225 -0.390 89 H LYS 10 H LYS 10 2.194 16.968 -2.740 90 HA LYS 10 HA LYS 10 1.738 17.798 -5.506 91 HB2 LYS 10 2HB LYS 10 0.259 18.476 -3.474 92 HB3 LYS 10 1HB LYS 10 1.555 19.625 -3.131 93 HG2 LYS 10 2HG LYS 10 1.142 20.133 -5.746 94 HG3 LYS 10 1HG LYS 10 -0.480 19.634 -5.253 95 HD2 LYS 10 2HD LYS 10 -0.210 21.268 -3.314 96 HD3 LYS 10 1HD LYS 10 1.193 21.899 -4.179 97 HE2 LYS 10 2HE LYS 10 -0.187 22.442 -6.090 98 HE3 LYS 10 1HE LYS 10 -1.592 21.721 -5.313 99 HZ1 LYS 10 3HZ LYS 10 -1.932 23.886 -4.771 100 HZ2 LYS 10 1HZ LYS 10 -0.288 24.281 -4.790 101 HZ3 LYS 10 2HZ LYS 10 -0.948 23.461 -3.460 102 H GLN 11 H GLN 11 4.390 17.069 -4.343 103 HA GLN 11 HA GLN 11 5.838 19.360 -5.371 104 HB2 GLN 11 2HB GLN 11 6.820 18.357 -2.735 105 HB3 GLN 11 1HB GLN 11 7.029 19.939 -3.482 106 HG2 GLN 11 2HG GLN 11 4.834 20.602 -2.877 107 HG3 GLN 11 1HG GLN 11 4.408 18.955 -2.385 108 HE21 GLN 11 1HE2 GLN 11 4.066 19.057 -0.275 109 HE22 GLN 11 2HE2 GLN 11 5.145 19.735 0.891 110 H ALA 12 H ALA 12 6.067 16.186 -3.804 111 HA ALA 12 HA ALA 12 8.056 15.415 -5.819 112 HB1 ALA 12 1HB ALA 12 8.382 15.381 -2.870 113 HB2 ALA 12 2HB ALA 12 9.564 15.681 -4.135 114 HB3 ALA 12 3HB ALA 12 9.056 14.035 -3.790 115 H LYS 13 H LYS 13 8.017 13.265 -6.441 116 HA LYS 13 HA LYS 13 5.741 11.693 -5.397 117 HB2 LYS 13 2HB LYS 13 6.896 11.662 -8.195 118 HB3 LYS 13 1HB LYS 13 5.545 10.694 -7.626 119 HG2 LYS 13 2HG LYS 13 4.217 12.685 -7.282 120 HG3 LYS 13 1HG LYS 13 5.578 13.700 -7.738 121 HD2 LYS 13 2HD LYS 13 4.417 11.626 -9.577 122 HD3 LYS 13 1HD LYS 13 3.824 13.284 -9.524 123 HE2 LYS 13 2HE LYS 13 5.608 14.073 -10.645 124 HE3 LYS 13 1HE LYS 13 6.734 13.060 -9.737 125 HZ1 LYS 13 3HZ LYS 13 6.201 12.700 -12.307 126 HZ2 LYS 13 1HZ LYS 13 5.022 11.685 -11.644 127 HZ3 LYS 13 2HZ LYS 13 6.653 11.435 -11.278 128 H GLU 14 H GLU 14 6.253 9.849 -4.442 129 HA GLU 14 HA GLU 14 8.785 8.534 -5.158 130 HB2 GLU 14 2HB GLU 14 7.603 8.619 -2.386 131 HB3 GLU 14 1HB GLU 14 9.157 7.944 -2.853 132 HG2 GLU 14 2HG GLU 14 8.582 10.826 -3.339 133 HG3 GLU 14 1HG GLU 14 9.033 10.276 -1.729 134 H GLU 15 H GLU 15 8.737 6.381 -5.488 135 HA GLU 15 HA GLU 15 6.404 4.843 -4.649 136 HB2 GLU 15 2HB GLU 15 7.329 4.749 -7.518 137 HB3 GLU 15 1HB GLU 15 5.898 4.009 -6.822 138 HG2 GLU 15 2HG GLU 15 4.842 6.122 -6.545 139 HG3 GLU 15 1HG GLU 15 6.322 6.979 -6.968 140 H ALA 16 H ALA 16 6.826 2.679 -4.316 141 HA ALA 16 HA ALA 16 9.312 1.512 -5.233 142 HB1 ALA 16 1HB ALA 16 9.875 0.863 -2.798 143 HB2 ALA 16 2HB ALA 16 8.857 2.237 -2.363 144 HB3 ALA 16 3HB ALA 16 10.289 2.481 -3.363 145 H ILE 17 H ILE 17 9.543 -0.749 -4.032 146 HA ILE 17 HA ILE 17 6.901 -1.983 -3.709 147 HB ILE 17 HB ILE 17 7.523 -2.338 -6.048 148 HG12 ILE 17 2HG1 ILE 17 7.978 -5.059 -5.445 149 HG13 ILE 17 1HG1 ILE 17 7.020 -4.419 -4.113 150 HG21 ILE 17 1HG2 ILE 17 9.995 -3.655 -4.932 151 HG22 ILE 17 2HG2 ILE 17 9.931 -2.152 -5.854 152 HG23 ILE 17 3HG2 ILE 17 9.499 -3.679 -6.624 153 HD11 ILE 17 3HD1 ILE 17 5.978 -5.386 -6.388 154 HD12 ILE 17 1HD1 ILE 17 6.107 -3.678 -6.809 155 HD13 ILE 17 2HD1 ILE 17 5.188 -4.168 -5.385 156 H LYS 18 H LYS 18 6.825 -3.475 -2.121 157 HA LYS 18 HA LYS 18 9.353 -4.560 -1.089 158 HB2 LYS 18 2HB LYS 18 7.329 -4.041 0.979 159 HB3 LYS 18 1HB LYS 18 9.067 -3.790 1.016 160 HG2 LYS 18 2HG LYS 18 7.616 -1.893 -0.685 161 HG3 LYS 18 1HG LYS 18 7.188 -1.824 1.023 162 HD2 LYS 18 2HD LYS 18 8.965 -0.312 0.777 163 HD3 LYS 18 1HD LYS 18 9.696 -1.757 1.477 164 HE2 LYS 18 2HE LYS 18 10.563 -2.423 -0.651 165 HE3 LYS 18 1HE LYS 18 9.666 -1.149 -1.473 166 HZ1 LYS 18 3HZ LYS 18 11.003 0.479 -0.221 167 HZ2 LYS 18 1HZ LYS 18 11.942 -0.493 -1.239 168 HZ3 LYS 18 2HZ LYS 18 11.920 -0.787 0.425 169 H GLU 19 H GLU 19 9.291 -6.672 -0.480 170 HA GLU 19 HA GLU 19 6.823 -8.118 -1.064 171 HB2 GLU 19 2HB GLU 19 8.327 -10.142 -0.817 172 HB3 GLU 19 1HB GLU 19 8.714 -9.054 -2.143 173 HG2 GLU 19 2HG GLU 19 10.583 -8.174 -1.016 174 HG3 GLU 19 1HG GLU 19 10.088 -8.887 0.519 175 H LEU 20 H LEU 20 5.680 -9.292 0.399 176 HA LEU 20 HA LEU 20 6.700 -9.556 3.124 177 HG LEU 20 HG LEU 20 6.559 -7.044 2.929 178 HB2 LEU 20 2HB LEU 20 4.088 -8.224 2.408 179 HB3 LEU 20 1HB LEU 20 4.490 -8.771 4.025 180 HD11 LEU 20 1HD1 LEU 20 4.927 -5.013 3.384 181 HD12 LEU 20 2HD1 LEU 20 3.729 -6.163 2.787 182 HD13 LEU 20 3HD1 LEU 20 5.108 -5.723 1.779 183 HD21 LEU 20 3HD2 LEU 20 6.710 -6.374 5.075 184 HD22 LEU 20 1HD2 LEU 20 5.737 -7.813 5.380 185 HD23 LEU 20 2HD2 LEU 20 4.963 -6.233 5.264 186 H VAL 21 H VAL 21 4.693 -10.685 4.431 187 HA VAL 21 HA VAL 21 4.241 -13.146 2.921 188 HB VAL 21 HB VAL 21 3.656 -14.164 5.072 189 HG11 VAL 21 1HG1 VAL 21 5.922 -14.386 4.567 190 HG12 VAL 21 2HG1 VAL 21 5.920 -13.743 6.210 191 HG13 VAL 21 3HG1 VAL 21 6.247 -12.673 4.846 192 HG21 VAL 21 3HG2 VAL 21 4.119 -11.392 6.163 193 HG22 VAL 21 1HG2 VAL 21 4.053 -12.843 7.160 194 HG23 VAL 21 2HG2 VAL 21 2.637 -12.345 6.234 195 H ASP 22 H ASP 22 2.415 -10.785 4.849 196 HA ASP 22 HA ASP 22 0.008 -11.540 3.353 197 HB2 ASP 22 2HB ASP 22 0.337 -12.423 5.896 198 HB3 ASP 22 1HB ASP 22 -0.433 -10.866 6.200 199 H ALA 23 H ALA 23 -1.830 -9.868 4.197 200 HA ALA 23 HA ALA 23 -0.783 -7.287 3.433 201 HB1 ALA 23 1HB ALA 23 -2.908 -6.694 2.896 202 HB2 ALA 23 2HB ALA 23 -3.624 -7.607 4.228 203 HB3 ALA 23 3HB ALA 23 -3.066 -8.447 2.780 204 H ALA 24 H ALA 24 -2.305 -8.734 6.285 205 HA ALA 24 HA ALA 24 -2.691 -6.528 7.873 206 HB1 ALA 24 1HB ALA 24 -1.692 -9.260 8.665 207 HB2 ALA 24 2HB ALA 24 -3.362 -8.698 8.640 208 HB3 ALA 24 3HB ALA 24 -2.223 -8.032 9.813 209 H THR 25 H THR 25 0.287 -8.426 7.523 210 HA THR 25 HA THR 25 1.845 -6.682 9.141 211 HB THR 25 HB THR 25 2.444 -8.961 7.283 212 HG1 THR 25 1HG THR 25 3.212 -8.484 9.967 213 HG21 THR 25 3HG2 THR 25 4.236 -7.373 6.808 214 HG22 THR 25 1HG2 THR 25 4.823 -8.781 7.692 215 HG23 THR 25 2HG2 THR 25 4.582 -7.250 8.533 216 H ALA 26 H ALA 26 1.290 -7.030 5.662 217 HA ALA 26 HA ALA 26 3.173 -5.240 4.705 218 HB1 ALA 26 1HB ALA 26 0.356 -5.729 3.711 219 HB2 ALA 26 2HB ALA 26 1.821 -6.557 3.188 220 HB3 ALA 26 3HB ALA 26 1.595 -4.846 2.816 221 H GLU 27 H GLU 27 -0.177 -4.602 5.636 222 HA GLU 27 HA GLU 27 -0.285 -1.871 5.374 223 HB2 GLU 27 2HB GLU 27 -1.560 -3.773 7.329 224 HB3 GLU 27 1HB GLU 27 -1.908 -2.046 7.380 225 HG2 GLU 27 2HG GLU 27 -2.751 -2.123 5.104 226 HG3 GLU 27 1HG GLU 27 -2.352 -3.837 4.999 227 H LYS 28 H LYS 28 1.145 -3.803 7.930 228 HA LYS 28 HA LYS 28 1.590 -1.647 9.735 229 HB2 LYS 28 2HB LYS 28 1.932 -4.436 9.770 230 HB3 LYS 28 1HB LYS 28 3.538 -3.764 10.012 231 HG2 LYS 28 2HG LYS 28 2.793 -3.919 12.170 232 HG3 LYS 28 1HG LYS 28 2.327 -2.264 11.773 233 HD2 LYS 28 2HD LYS 28 0.455 -3.251 12.841 234 HD3 LYS 28 1HD LYS 28 0.069 -3.180 11.118 235 HE2 LYS 28 2HE LYS 28 -0.569 -5.330 12.119 236 HE3 LYS 28 1HE LYS 28 0.659 -5.522 10.867 237 HZ1 LYS 28 3HZ LYS 28 1.651 -5.191 13.577 238 HZ2 LYS 28 1HZ LYS 28 2.182 -6.222 12.346 239 HZ3 LYS 28 2HZ LYS 28 0.828 -6.637 13.271 240 H TYR 29 H TYR 29 3.686 -3.373 7.456 241 HA TYR 29 HA TYR 29 5.929 -1.667 7.842 242 HD1 TYR 29 1HD TYR 29 6.182 -1.745 4.053 243 HD2 TYR 29 2HD TYR 29 8.525 -3.739 6.992 244 HE1 TYR 29 1HE TYR 29 8.222 -1.087 2.859 245 HE2 TYR 29 2HE TYR 29 10.575 -3.084 5.804 246 HH TYR 29 HH TYR 29 11.346 -1.429 4.229 247 HB2 TYR 29 2HB TYR 29 6.199 -3.961 7.045 248 HB3 TYR 29 1HB TYR 29 5.254 -3.588 5.603 249 H PHE 30 H PHE 30 3.772 -2.090 5.046 250 HA PHE 30 HA PHE 30 4.675 -0.029 3.488 251 HD1 PHE 30 2HD PHE 30 5.129 -0.318 1.968 252 HD2 PHE 30 1HD PHE 30 1.373 -2.198 1.245 253 HE1 PHE 30 2HE PHE 30 5.891 -0.972 -0.268 254 HE2 PHE 30 1HE PHE 30 2.137 -2.849 -0.997 255 HZ PHE 30 HZ PHE 30 4.397 -2.238 -1.753 256 HB2 PHE 30 2HB PHE 30 2.312 -1.704 3.615 257 HB3 PHE 30 1HB PHE 30 1.913 -0.095 3.026 258 H LYS 31 H LYS 31 1.971 0.174 5.816 259 HA LYS 31 HA LYS 31 1.456 2.897 5.412 260 HB2 LYS 31 2HB LYS 31 0.040 1.185 6.681 261 HB3 LYS 31 1HB LYS 31 1.087 1.515 8.060 262 HG2 LYS 31 2HG LYS 31 -0.071 3.331 8.566 263 HG3 LYS 31 1HG LYS 31 0.167 3.985 6.945 264 HD2 LYS 31 2HD LYS 31 -2.051 3.777 6.725 265 HD3 LYS 31 1HD LYS 31 -1.733 2.052 6.529 266 HE2 LYS 31 2HE LYS 31 -2.278 1.579 8.751 267 HE3 LYS 31 1HE LYS 31 -2.101 3.263 9.247 268 HZ1 LYS 31 3HZ LYS 31 -4.386 2.901 9.174 269 HZ2 LYS 31 1HZ LYS 31 -4.313 2.024 7.729 270 HZ3 LYS 31 2HZ LYS 31 -4.066 3.696 7.716 271 H LEU 32 H LEU 32 3.844 1.267 7.389 272 HA LEU 32 HA LEU 32 4.583 3.541 8.933 273 HG LEU 32 HG LEU 32 5.294 2.840 10.778 274 HB2 LEU 32 2HB LEU 32 5.391 0.796 8.693 275 HB3 LEU 32 1HB LEU 32 6.809 1.820 8.705 276 HD11 LEU 32 1HD1 LEU 32 5.046 -0.158 10.727 277 HD12 LEU 32 2HD1 LEU 32 3.734 1.020 10.713 278 HD13 LEU 32 3HD1 LEU 32 4.750 0.849 12.144 279 HD21 LEU 32 3HD2 LEU 32 7.816 2.013 10.424 280 HD22 LEU 32 1HD2 LEU 32 7.220 0.698 11.433 281 HD23 LEU 32 2HD2 LEU 32 7.131 2.362 12.010 282 H TYR 33 H TYR 33 5.532 2.285 5.813 283 HA TYR 33 HA TYR 33 7.857 3.905 5.502 284 HD1 TYR 33 1HD TYR 33 5.823 4.321 2.065 285 HD2 TYR 33 2HD TYR 33 9.620 2.580 2.885 286 HE1 TYR 33 1HE TYR 33 6.731 5.358 0.033 287 HE2 TYR 33 2HE TYR 33 10.539 3.618 0.853 288 HH TYR 33 HH TYR 33 8.832 6.012 -0.923 289 HB2 TYR 33 2HB TYR 33 7.784 1.955 4.171 290 HB3 TYR 33 1HB TYR 33 6.144 2.291 3.616 291 H ALA 34 H ALA 34 4.537 4.105 4.259 292 HA ALA 34 HA ALA 34 4.859 6.524 2.866 293 HB1 ALA 34 1HB ALA 34 2.986 5.435 2.182 294 HB2 ALA 34 2HB ALA 34 2.256 6.578 3.310 295 HB3 ALA 34 3HB ALA 34 2.558 4.912 3.809 296 H ASN 35 H ASN 35 4.347 5.850 6.232 297 HA ASN 35 HA ASN 35 3.509 8.555 6.845 298 HB2 ASN 35 2HB ASN 35 3.553 5.995 8.223 299 HB3 ASN 35 1HB ASN 35 4.148 7.298 9.246 300 HD21 ASN 35 1HD2 ASN 35 1.625 5.664 9.185 301 HD22 ASN 35 2HD2 ASN 35 0.355 6.835 9.246 302 H ALA 36 H ALA 36 6.444 6.689 6.824 303 HA ALA 36 HA ALA 36 7.890 8.703 8.356 304 HB1 ALA 36 1HB ALA 36 8.716 6.680 9.004 305 HB2 ALA 36 2HB ALA 36 9.832 7.033 7.684 306 HB3 ALA 36 3HB ALA 36 8.470 5.945 7.421 307 H LYS 37 H LYS 37 7.776 7.391 5.072 308 HA LYS 37 HA LYS 37 9.908 9.023 4.093 309 HB2 LYS 37 2HB LYS 37 7.743 7.700 2.458 310 HB3 LYS 37 1HB LYS 37 9.353 8.167 1.928 311 HG2 LYS 37 2HG LYS 37 9.142 6.236 4.170 312 HG3 LYS 37 1HG LYS 37 8.745 5.671 2.545 313 HD2 LYS 37 2HD LYS 37 10.962 5.276 2.427 314 HD3 LYS 37 1HD LYS 37 11.043 6.999 2.053 315 HE2 LYS 37 2HE LYS 37 11.115 7.191 4.692 316 HE3 LYS 37 1HE LYS 37 11.755 5.553 4.552 317 HZ1 LYS 37 3HZ LYS 37 13.274 6.692 2.772 318 HZ2 LYS 37 1HZ LYS 37 13.663 6.769 4.417 319 HZ3 LYS 37 2HZ LYS 37 12.926 8.088 3.661 320 H THR 38 H THR 38 6.469 9.048 3.139 321 HA THR 38 HA THR 38 6.705 11.953 2.728 322 HB THR 38 HB THR 38 4.738 11.673 1.209 323 HG1 THR 38 1HG THR 38 4.098 9.637 2.255 324 HG21 THR 38 3HG2 THR 38 5.975 11.157 -0.594 325 HG22 THR 38 1HG2 THR 38 6.625 9.690 0.137 326 HG23 THR 38 2HG2 THR 38 7.300 11.261 0.567 327 H VAL 39 H VAL 39 3.842 12.392 2.574 328 HA VAL 39 HA VAL 39 3.248 12.286 5.438 329 HB VAL 39 HB VAL 39 1.394 13.913 4.789 330 HG11 VAL 39 1HG1 VAL 39 3.918 15.234 4.051 331 HG12 VAL 39 2HG1 VAL 39 3.951 14.322 5.559 332 HG13 VAL 39 3HG1 VAL 39 2.770 15.613 5.336 333 HG21 VAL 39 3HG2 VAL 39 1.727 13.215 2.295 334 HG22 VAL 39 1HG2 VAL 39 2.985 14.449 2.321 335 HG23 VAL 39 2HG2 VAL 39 1.318 14.881 2.700 336 H GLU 40 H GLU 40 0.788 12.165 5.900 337 HA GLU 40 HA GLU 40 -0.202 9.769 4.532 338 HB2 GLU 40 2HB GLU 40 0.124 9.912 7.081 339 HB3 GLU 40 1HB GLU 40 -1.318 10.914 7.079 340 HG2 GLU 40 2HG GLU 40 -2.565 9.082 6.017 341 HG3 GLU 40 1HG GLU 40 -1.118 8.078 6.095 342 H GLY 41 H GLY 41 -1.828 9.909 3.145 343 HA2 GLY 41 2HA GLY 41 -3.817 12.045 3.495 344 HA3 GLY 41 1HA GLY 41 -3.020 11.850 1.933 345 H VAL 42 H VAL 42 -4.597 11.106 0.611 346 HA VAL 42 HA VAL 42 -6.723 9.439 1.416 347 HB VAL 42 HB VAL 42 -7.101 9.022 -0.987 348 HG11 VAL 42 1HG1 VAL 42 -7.813 11.164 -1.493 349 HG12 VAL 42 2HG1 VAL 42 -6.426 11.926 -0.715 350 HG13 VAL 42 3HG1 VAL 42 -7.703 11.204 0.267 351 HG21 VAL 42 3HG2 VAL 42 -4.801 8.847 -1.732 352 HG22 VAL 42 1HG2 VAL 42 -4.528 10.551 -1.360 353 HG23 VAL 42 2HG2 VAL 42 -5.635 10.090 -2.651 354 H TRP 43 H TRP 43 -7.124 7.219 0.800 355 HA TRP 43 HA TRP 43 -4.698 5.622 0.430 356 HD1 TRP 43 HD TRP 43 -4.994 7.313 3.851 357 HE1 TRP 43 1HE TRP 43 -2.678 7.043 4.944 358 HE3 TRP 43 3HE TRP 43 -3.754 2.733 1.979 359 HZ2 TRP 43 2HZ TRP 43 -0.596 5.129 5.003 360 HZ3 TRP 43 3HZ TRP 43 -1.583 1.747 2.599 361 HH2 TRP 43 HH TRP 43 -0.041 2.923 4.078 362 HB2 TRP 43 2HB TRP 43 -6.634 5.537 2.691 363 HB3 TRP 43 1HB TRP 43 -5.935 4.017 2.146 364 H THR 44 H THR 44 -5.023 4.617 -1.435 365 HA THR 44 HA THR 44 -7.632 3.326 -1.898 366 HB THR 44 HB THR 44 -6.711 3.535 -4.402 367 HG1 THR 44 1HG THR 44 -5.691 5.550 -4.646 368 HG21 THR 44 3HG2 THR 44 -8.300 5.462 -2.789 369 HG22 THR 44 1HG2 THR 44 -8.794 4.436 -4.136 370 HG23 THR 44 2HG2 THR 44 -7.837 5.888 -4.436 371 H TYR 45 H TYR 45 -7.372 1.219 -1.532 372 HA TYR 45 HA TYR 45 -4.816 -0.062 -2.064 373 HD1 TYR 45 2HD TYR 45 -3.650 -1.695 -0.844 374 HD2 TYR 45 1HD TYR 45 -7.515 -3.474 -0.902 375 HE1 TYR 45 2HE TYR 45 -2.615 -3.926 -0.850 376 HE2 TYR 45 1HE TYR 45 -6.491 -5.709 -0.906 377 HH TYR 45 HH TYR 45 -4.300 -6.735 -0.181 378 HB2 TYR 45 2HB TYR 45 -5.989 -0.552 0.036 379 HB3 TYR 45 1HB TYR 45 -7.360 -1.181 -0.870 380 H LYS 46 H LYS 46 -4.653 -2.035 -3.271 381 HA LYS 46 HA LYS 46 -6.685 -2.308 -5.382 382 HB2 LYS 46 2HB LYS 46 -3.919 -1.608 -5.632 383 HB3 LYS 46 1HB LYS 46 -4.177 -3.178 -6.384 384 HG2 LYS 46 2HG LYS 46 -6.203 -1.184 -7.065 385 HG3 LYS 46 1HG LYS 46 -4.569 -0.769 -7.588 386 HD2 LYS 46 2HD LYS 46 -4.395 -3.002 -8.646 387 HD3 LYS 46 1HD LYS 46 -6.078 -3.303 -8.211 388 HE2 LYS 46 2HE LYS 46 -6.867 -1.631 -9.653 389 HE3 LYS 46 1HE LYS 46 -5.271 -0.897 -9.813 390 HZ1 LYS 46 3HZ LYS 46 -6.350 -2.552 -11.618 391 HZ2 LYS 46 1HZ LYS 46 -5.452 -3.650 -10.690 392 HZ3 LYS 46 2HZ LYS 46 -4.683 -2.332 -11.417 393 H ASP 47 H ASP 47 -7.658 -4.208 -5.179 394 HA ASP 47 HA ASP 47 -6.249 -6.437 -3.933 395 HB2 ASP 47 2HB ASP 47 -9.048 -5.619 -4.221 396 HB3 ASP 47 1HB ASP 47 -8.790 -7.345 -4.496 397 H GLU 48 H GLU 48 -5.613 -5.543 -6.666 398 HA GLU 48 HA GLU 48 -6.493 -7.874 -8.228 399 HB2 GLU 48 2HB GLU 48 -5.067 -5.416 -9.247 400 HB3 GLU 48 1HB GLU 48 -5.872 -6.654 -10.198 401 HG2 GLU 48 2HG GLU 48 -7.317 -4.894 -8.244 402 HG3 GLU 48 1HG GLU 48 -7.101 -4.478 -9.940 403 H THR 49 H THR 49 -3.718 -6.303 -6.844 404 HA THR 49 HA THR 49 -2.125 -8.667 -7.248 405 HB THR 49 HB THR 49 -0.931 -6.123 -8.304 406 HG1 THR 49 1HG THR 49 -1.717 -6.526 -10.288 407 HG21 THR 49 3HG2 THR 49 0.531 -8.071 -7.872 408 HG22 THR 49 1HG2 THR 49 0.502 -7.569 -9.562 409 HG23 THR 49 2HG2 THR 49 -0.407 -8.990 -9.046 410 H LYS 50 H LYS 50 -3.189 -7.000 -5.055 411 HA LYS 50 HA LYS 50 -2.554 -6.162 -3.037 412 HB2 LYS 50 2HB LYS 50 -0.413 -8.087 -3.774 413 HB3 LYS 50 1HB LYS 50 -0.092 -7.014 -2.418 414 HG2 LYS 50 2HG LYS 50 -1.041 -8.716 -1.276 415 HG3 LYS 50 1HG LYS 50 -2.518 -7.847 -1.704 416 HD2 LYS 50 2HD LYS 50 -2.932 -10.106 -2.237 417 HD3 LYS 50 1HD LYS 50 -2.607 -9.307 -3.777 418 HE2 LYS 50 2HE LYS 50 -1.452 -11.445 -3.663 419 HE3 LYS 50 1HE LYS 50 -0.295 -10.117 -3.698 420 HZ1 LYS 50 3HZ LYS 50 0.184 -11.919 -2.052 421 HZ2 LYS 50 1HZ LYS 50 -1.180 -11.417 -1.187 422 HZ3 LYS 50 2HZ LYS 50 0.122 -10.362 -1.401 423 H THR 51 H THR 51 -2.528 -4.012 -4.022 424 HA THR 51 HA THR 51 0.128 -2.815 -3.774 425 HB THR 51 HB THR 51 -1.717 -2.304 -6.116 426 HG1 THR 51 1HG THR 51 -0.692 -4.068 -6.714 427 HG21 THR 51 3HG2 THR 51 0.671 -0.892 -5.132 428 HG22 THR 51 1HG2 THR 51 -0.684 -0.306 -6.093 429 HG23 THR 51 2HG2 THR 51 0.610 -1.224 -6.862 430 H PHE 52 H PHE 52 0.089 -1.062 -2.542 431 HA PHE 52 HA PHE 52 -2.497 0.125 -1.853 432 HD1 PHE 52 1HD PHE 52 -0.264 -2.311 -0.415 433 HD2 PHE 52 2HD PHE 52 -2.667 0.660 1.460 434 HE1 PHE 52 1HE PHE 52 -1.179 -4.015 1.107 435 HE2 PHE 52 2HE PHE 52 -3.585 -1.039 2.986 436 HZ PHE 52 HZ PHE 52 -2.840 -3.379 2.810 437 HB2 PHE 52 2HB PHE 52 0.226 0.181 -0.564 438 HB3 PHE 52 1HB PHE 52 -1.049 1.303 -0.080 439 H THR 53 H THR 53 -2.900 2.344 -2.043 440 HA THR 53 HA THR 53 -0.881 3.965 -3.408 441 HB THR 53 HB THR 53 -3.730 3.676 -4.368 442 HG1 THR 53 1HG THR 53 -1.284 2.862 -5.551 443 HG21 THR 53 3HG2 THR 53 -2.007 4.907 -6.263 444 HG22 THR 53 1HG2 THR 53 -1.928 5.805 -4.750 445 HG23 THR 53 2HG2 THR 53 -3.484 5.533 -5.532 446 H VAL 54 H VAL 54 -0.568 5.563 -1.997 447 HA VAL 54 HA VAL 54 -2.945 6.943 -0.926 448 HB VAL 54 HB VAL 54 -1.954 5.902 0.957 449 HG11 VAL 54 1HG1 VAL 54 0.157 5.279 -0.107 450 HG12 VAL 54 2HG1 VAL 54 0.416 5.992 1.486 451 HG13 VAL 54 3HG1 VAL 54 0.714 6.946 0.033 452 HG21 VAL 54 3HG2 VAL 54 -2.075 8.669 0.780 453 HG22 VAL 54 1HG2 VAL 54 -0.501 8.357 1.508 454 HG23 VAL 54 2HG2 VAL 54 -1.963 7.719 2.259 455 H THR 55 H THR 55 -2.966 9.154 -1.026 456 HA THR 55 HA THR 55 -0.585 10.495 -2.102 457 HB THR 55 HB THR 55 -3.361 10.462 -3.243 458 HG1 THR 55 1HG THR 55 -2.319 9.916 -5.032 459 HG21 THR 55 3HG2 THR 55 -2.928 12.825 -2.915 460 HG22 THR 55 1HG2 THR 55 -2.863 12.397 -4.626 461 HG23 THR 55 2HG2 THR 55 -1.376 12.671 -3.724 462 H GLU 56 H GLU 56 -0.454 12.737 -1.641 463 HA GLU 56 HA GLU 56 -2.397 13.796 0.272 464 HB2 GLU 56 2HB GLU 56 -0.103 12.711 1.206 465 HB3 GLU 56 1HB GLU 56 0.432 14.360 0.918 466 HG2 GLU 56 2HG GLU 56 -2.029 13.715 2.502 467 HG3 GLU 56 1HG GLU 56 -0.428 13.813 3.232 Start of MODEL 11 1 HA THR 1 HA THR 1 4.468 -12.904 -3.006 2 HB THR 1 HB THR 1 2.839 -11.192 -1.173 3 HG1 THR 1 1HG THR 1 2.379 -13.967 -1.507 4 H1 THR 1 1HT THR 1 5.176 -12.481 -0.190 5 H2 THR 1 2HT THR 1 5.920 -13.503 -1.352 6 H3 THR 1 3HT THR 1 4.363 -13.886 -0.741 7 HG21 THR 1 3HG2 THR 1 1.249 -12.692 -2.928 8 HG22 THR 1 1HG2 THR 1 2.635 -12.126 -3.861 9 HG23 THR 1 2HG2 THR 1 1.620 -10.970 -2.998 10 H THR 2 H THR 2 3.909 -10.541 -3.811 11 HA THR 2 HA THR 2 6.062 -8.771 -2.863 12 HB THR 2 HB THR 2 4.975 -8.981 -5.673 13 HG1 THR 2 1HG THR 2 7.477 -9.861 -4.681 14 HG21 THR 2 3HG2 THR 2 6.094 -6.793 -4.787 15 HG22 THR 2 1HG2 THR 2 6.514 -7.447 -6.371 16 HG23 THR 2 2HG2 THR 2 7.579 -7.722 -4.992 17 H TYR 3 H TYR 3 5.312 -7.020 -1.894 18 HA TYR 3 HA TYR 3 2.637 -6.039 -2.582 19 HD1 TYR 3 1HD TYR 3 0.882 -4.698 -0.812 20 HD2 TYR 3 2HD TYR 3 3.125 -7.975 0.710 21 HE1 TYR 3 1HE TYR 3 -1.198 -5.745 -0.017 22 HE2 TYR 3 2HE TYR 3 1.053 -9.033 1.510 23 HH TYR 3 HH TYR 3 -1.446 -8.914 0.837 24 HB2 TYR 3 2HB TYR 3 4.249 -6.106 -0.119 25 HB3 TYR 3 1HB TYR 3 3.391 -4.586 -0.387 26 H LYS 4 H LYS 4 2.341 -4.150 -3.592 27 HA LYS 4 HA LYS 4 4.707 -2.449 -4.016 28 HB2 LYS 4 2HB LYS 4 3.420 -3.664 -5.964 29 HB3 LYS 4 1HB LYS 4 2.309 -2.313 -5.788 30 HG2 LYS 4 2HG LYS 4 4.848 -1.163 -5.843 31 HG3 LYS 4 1HG LYS 4 4.877 -2.422 -7.080 32 HD2 LYS 4 2HD LYS 4 2.490 -0.661 -6.974 33 HD3 LYS 4 1HD LYS 4 3.996 0.046 -7.569 34 HE2 LYS 4 2HE LYS 4 3.974 -2.295 -8.922 35 HE3 LYS 4 1HE LYS 4 2.243 -1.992 -8.780 36 HZ1 LYS 4 3HZ LYS 4 3.748 -0.991 -10.717 37 HZ2 LYS 4 1HZ LYS 4 3.870 0.272 -9.604 38 HZ3 LYS 4 2HZ LYS 4 2.348 -0.228 -10.153 39 H LEU 5 H LEU 5 4.614 -0.296 -3.618 40 HA LEU 5 HA LEU 5 2.044 0.870 -2.825 41 HG LEU 5 HG LEU 5 3.424 3.211 -1.260 42 HB2 LEU 5 2HB LEU 5 3.076 0.259 -0.744 43 HB3 LEU 5 1HB LEU 5 4.604 0.979 -1.235 44 HD11 LEU 5 1HD1 LEU 5 1.354 2.140 0.546 45 HD12 LEU 5 2HD1 LEU 5 1.140 1.801 -1.172 46 HD13 LEU 5 3HD1 LEU 5 1.279 3.468 -0.614 47 HD21 LEU 5 3HD2 LEU 5 3.200 2.133 1.493 48 HD22 LEU 5 1HD2 LEU 5 4.007 3.588 0.907 49 HD23 LEU 5 2HD2 LEU 5 4.764 2.009 0.690 50 H ILE 6 H ILE 6 1.709 2.858 -3.609 51 HA ILE 6 HA ILE 6 4.020 4.354 -4.648 52 HB ILE 6 HB ILE 6 2.471 5.154 -6.498 53 HG12 ILE 6 2HG1 ILE 6 0.967 2.641 -6.426 54 HG13 ILE 6 1HG1 ILE 6 0.574 3.725 -5.095 55 HG21 ILE 6 1HG2 ILE 6 4.281 3.142 -6.410 56 HG22 ILE 6 2HG2 ILE 6 3.466 3.684 -7.879 57 HG23 ILE 6 3HG2 ILE 6 2.858 2.283 -6.997 58 HD11 ILE 6 3HD1 ILE 6 -0.904 4.037 -7.011 59 HD12 ILE 6 1HD1 ILE 6 0.487 4.443 -8.015 60 HD13 ILE 6 2HD1 ILE 6 0.037 5.488 -6.670 61 H LEU 7 H LEU 7 4.144 6.320 -3.799 62 HA LEU 7 HA LEU 7 1.712 7.494 -2.647 63 HG LEU 7 HG LEU 7 2.488 6.440 -0.674 64 HB2 LEU 7 2HB LEU 7 4.624 7.961 -2.019 65 HB3 LEU 7 1HB LEU 7 3.315 8.948 -1.369 66 HD11 LEU 7 1HD1 LEU 7 4.776 5.679 0.479 67 HD12 LEU 7 2HD1 LEU 7 5.425 6.389 -1.003 68 HD13 LEU 7 3HD1 LEU 7 4.246 5.080 -1.095 69 HD21 LEU 7 3HD2 LEU 7 4.285 7.584 1.305 70 HD22 LEU 7 1HD2 LEU 7 2.537 7.354 1.362 71 HD23 LEU 7 2HD2 LEU 7 3.213 8.781 0.579 72 H ASN 8 H ASN 8 0.943 9.392 -3.357 73 HA ASN 8 HA ASN 8 2.529 10.815 -5.395 74 HB2 ASN 8 2HB ASN 8 -0.242 9.879 -5.391 75 HB3 ASN 8 1HB ASN 8 -0.092 11.579 -5.824 76 HD21 ASN 8 1HD2 ASN 8 1.157 8.364 -6.569 77 HD22 ASN 8 2HD2 ASN 8 1.477 8.685 -8.246 78 H LEU 9 H LEU 9 3.384 11.864 -3.373 79 HA LEU 9 HA LEU 9 1.634 13.677 -1.998 80 HG LEU 9 HG LEU 9 5.245 14.165 -2.756 81 HB2 LEU 9 2HB LEU 9 3.601 14.405 -0.785 82 HB3 LEU 9 1HB LEU 9 3.514 12.657 -0.824 83 HD11 LEU 9 1HD1 LEU 9 5.581 14.479 -0.099 84 HD12 LEU 9 2HD1 LEU 9 6.896 14.481 -1.266 85 HD13 LEU 9 3HD1 LEU 9 6.523 13.013 -0.374 86 HD21 LEU 9 3HD2 LEU 9 5.433 12.064 -3.515 87 HD22 LEU 9 1HD2 LEU 9 4.767 11.374 -2.039 88 HD23 LEU 9 2HD2 LEU 9 6.470 11.814 -2.113 89 H LYS 10 H LYS 10 2.354 16.049 -1.809 90 HA LYS 10 HA LYS 10 2.211 17.141 -4.456 91 HB2 LYS 10 2HB LYS 10 1.596 18.006 -1.806 92 HB3 LYS 10 1HB LYS 10 2.645 19.202 -2.550 93 HG2 LYS 10 2HG LYS 10 1.075 19.859 -4.034 94 HG3 LYS 10 1HG LYS 10 0.419 18.226 -4.218 95 HD2 LYS 10 2HD LYS 10 -1.221 18.671 -2.781 96 HD3 LYS 10 1HD LYS 10 -0.064 19.164 -1.549 97 HE2 LYS 10 2HE LYS 10 -1.070 20.927 -3.780 98 HE3 LYS 10 1HE LYS 10 -1.686 20.942 -2.131 99 HZ1 LYS 10 3HZ LYS 10 0.180 22.585 -2.912 100 HZ2 LYS 10 1HZ LYS 10 1.195 21.292 -2.512 101 HZ3 LYS 10 2HZ LYS 10 0.167 21.965 -1.344 102 H GLN 11 H GLN 11 4.553 17.444 -1.807 103 HA GLN 11 HA GLN 11 6.372 19.090 -3.134 104 HB2 GLN 11 2HB GLN 11 8.056 18.030 -1.498 105 HB3 GLN 11 1HB GLN 11 6.705 18.936 -0.839 106 HG2 GLN 11 2HG GLN 11 5.875 16.249 -1.104 107 HG3 GLN 11 1HG GLN 11 7.466 16.239 -0.348 108 HE21 GLN 11 1HE2 GLN 11 4.199 16.522 0.175 109 HE22 GLN 11 2HE2 GLN 11 4.235 17.185 1.770 110 H ALA 12 H ALA 12 5.684 15.778 -3.674 111 HA ALA 12 HA ALA 12 7.362 15.593 -5.904 112 HB1 ALA 12 1HB ALA 12 8.663 13.632 -4.345 113 HB2 ALA 12 2HB ALA 12 8.720 15.147 -3.441 114 HB3 ALA 12 3HB ALA 12 9.352 15.077 -5.079 115 H LYS 13 H LYS 13 7.951 12.951 -6.086 116 HA LYS 13 HA LYS 13 5.424 11.540 -5.562 117 HB2 LYS 13 2HB LYS 13 6.569 12.247 -8.149 118 HB3 LYS 13 1HB LYS 13 6.291 10.524 -7.999 119 HG2 LYS 13 2HG LYS 13 3.983 10.830 -7.637 120 HG3 LYS 13 1HG LYS 13 4.178 12.562 -7.368 121 HD2 LYS 13 2HD LYS 13 3.288 12.317 -9.549 122 HD3 LYS 13 1HD LYS 13 4.996 12.716 -9.749 123 HE2 LYS 13 2HE LYS 13 5.115 10.013 -9.671 124 HE3 LYS 13 1HE LYS 13 3.535 10.253 -10.413 125 HZ1 LYS 13 3HZ LYS 13 6.186 10.903 -11.450 126 HZ2 LYS 13 1HZ LYS 13 4.921 11.950 -11.855 127 HZ3 LYS 13 2HZ LYS 13 4.819 10.307 -12.257 128 H GLU 14 H GLU 14 6.031 9.995 -4.174 129 HA GLU 14 HA GLU 14 8.541 8.552 -4.689 130 HB2 GLU 14 2HB GLU 14 6.933 8.837 -2.150 131 HB3 GLU 14 1HB GLU 14 8.356 7.820 -2.310 132 HG2 GLU 14 2HG GLU 14 8.224 10.808 -2.550 133 HG3 GLU 14 1HG GLU 14 8.979 9.876 -1.264 134 H GLU 15 H GLU 15 8.545 6.433 -5.132 135 HA GLU 15 HA GLU 15 6.206 4.800 -4.566 136 HB2 GLU 15 2HB GLU 15 6.036 3.977 -6.867 137 HB3 GLU 15 1HB GLU 15 5.734 5.707 -6.790 138 HG2 GLU 15 2HG GLU 15 7.108 5.673 -8.583 139 HG3 GLU 15 1HG GLU 15 8.328 5.805 -7.317 140 H ALA 16 H ALA 16 6.690 2.653 -4.256 141 HA ALA 16 HA ALA 16 9.246 1.586 -5.093 142 HB1 ALA 16 1HB ALA 16 9.860 2.747 -3.039 143 HB2 ALA 16 2HB ALA 16 9.995 0.998 -2.842 144 HB3 ALA 16 3HB ALA 16 8.617 1.858 -2.157 145 H ILE 17 H ILE 17 9.483 -0.694 -3.859 146 HA ILE 17 HA ILE 17 6.875 -2.019 -3.723 147 HB ILE 17 HB ILE 17 7.609 -2.292 -6.041 148 HG12 ILE 17 2HG1 ILE 17 8.133 -5.015 -5.453 149 HG13 ILE 17 1HG1 ILE 17 7.050 -4.420 -4.198 150 HG21 ILE 17 1HG2 ILE 17 10.092 -2.136 -5.311 151 HG22 ILE 17 2HG2 ILE 17 9.659 -3.134 -6.698 152 HG23 ILE 17 3HG2 ILE 17 9.969 -3.886 -5.134 153 HD11 ILE 17 3HD1 ILE 17 5.325 -4.136 -5.632 154 HD12 ILE 17 1HD1 ILE 17 6.177 -5.417 -6.493 155 HD13 ILE 17 2HD1 ILE 17 6.374 -3.738 -6.995 156 H LYS 18 H LYS 18 6.771 -3.521 -2.153 157 HA LYS 18 HA LYS 18 9.273 -4.612 -1.072 158 HB2 LYS 18 2HB LYS 18 7.183 -4.053 0.933 159 HB3 LYS 18 1HB LYS 18 8.927 -3.899 1.056 160 HG2 LYS 18 2HG LYS 18 7.673 -1.911 -0.692 161 HG3 LYS 18 1HG LYS 18 7.162 -1.832 0.993 162 HD2 LYS 18 2HD LYS 18 9.011 -0.449 0.978 163 HD3 LYS 18 1HD LYS 18 9.702 -1.986 1.503 164 HE2 LYS 18 2HE LYS 18 10.654 -2.402 -0.601 165 HE3 LYS 18 1HE LYS 18 9.641 -1.193 -1.391 166 HZ1 LYS 18 3HZ LYS 18 11.603 -0.068 -1.230 167 HZ2 LYS 18 1HZ LYS 18 12.072 -0.830 0.205 168 HZ3 LYS 18 2HZ LYS 18 10.904 0.394 0.240 169 H GLU 19 H GLU 19 9.192 -6.734 -0.513 170 HA GLU 19 HA GLU 19 6.745 -8.171 -1.165 171 HB2 GLU 19 2HB GLU 19 9.508 -9.180 -0.463 172 HB3 GLU 19 1HB GLU 19 8.158 -10.189 -0.968 173 HG2 GLU 19 2HG GLU 19 8.156 -8.619 -3.057 174 HG3 GLU 19 1HG GLU 19 9.818 -8.303 -2.562 175 H LEU 20 H LEU 20 5.779 -9.714 0.240 176 HA LEU 20 HA LEU 20 6.597 -9.955 2.967 177 HG LEU 20 HG LEU 20 6.759 -7.752 3.790 178 HB2 LEU 20 2HB LEU 20 4.680 -7.886 2.220 179 HB3 LEU 20 1HB LEU 20 4.051 -8.982 3.437 180 HD11 LEU 20 1HD1 LEU 20 4.561 -6.170 3.381 181 HD12 LEU 20 2HD1 LEU 20 5.999 -5.719 4.296 182 HD13 LEU 20 3HD1 LEU 20 4.583 -6.353 5.134 183 HD21 LEU 20 3HD2 LEU 20 5.926 -7.911 6.206 184 HD22 LEU 20 1HD2 LEU 20 6.341 -9.410 5.376 185 HD23 LEU 20 2HD2 LEU 20 4.650 -8.940 5.559 186 H VAL 21 H VAL 21 4.193 -10.725 4.140 187 HA VAL 21 HA VAL 21 3.600 -13.127 2.555 188 HB VAL 21 HB VAL 21 2.589 -13.891 4.839 189 HG11 VAL 21 1HG1 VAL 21 4.335 -15.179 4.139 190 HG12 VAL 21 2HG1 VAL 21 5.077 -14.421 5.550 191 HG13 VAL 21 3HG1 VAL 21 5.416 -13.801 3.935 192 HG21 VAL 21 3HG2 VAL 21 2.775 -11.738 5.973 193 HG22 VAL 21 1HG2 VAL 21 4.525 -11.760 5.746 194 HG23 VAL 21 2HG2 VAL 21 3.753 -12.963 6.779 195 H ASP 22 H ASP 22 1.939 -10.709 4.590 196 HA ASP 22 HA ASP 22 -0.469 -11.169 2.975 197 HB2 ASP 22 2HB ASP 22 -0.301 -12.171 5.483 198 HB3 ASP 22 1HB ASP 22 -0.938 -10.563 5.830 199 H ALA 23 H ALA 23 -2.191 -9.393 3.849 200 HA ALA 23 HA ALA 23 -0.911 -6.870 3.222 201 HB1 ALA 23 1HB ALA 23 -2.941 -6.122 2.561 202 HB2 ALA 23 2HB ALA 23 -3.800 -6.954 3.855 203 HB3 ALA 23 3HB ALA 23 -3.259 -7.852 2.437 204 H ALA 24 H ALA 24 -2.541 -8.379 5.966 205 HA ALA 24 HA ALA 24 -2.916 -6.200 7.620 206 HB1 ALA 24 1HB ALA 24 -2.106 -8.047 9.423 207 HB2 ALA 24 2HB ALA 24 -2.454 -9.083 8.039 208 HB3 ALA 24 3HB ALA 24 -3.710 -8.029 8.689 209 H THR 25 H THR 25 -0.009 -8.208 7.283 210 HA THR 25 HA THR 25 1.582 -6.557 8.974 211 HB THR 25 HB THR 25 2.170 -8.801 7.056 212 HG1 THR 25 1HG THR 25 2.898 -9.768 8.981 213 HG21 THR 25 3HG2 THR 25 4.285 -7.286 8.570 214 HG22 THR 25 1HG2 THR 25 4.053 -7.239 6.823 215 HG23 THR 25 2HG2 THR 25 4.512 -8.750 7.613 216 H ALA 26 H ALA 26 1.151 -6.877 5.471 217 HA ALA 26 HA ALA 26 3.113 -5.145 4.588 218 HB1 ALA 26 1HB ALA 26 0.320 -5.348 3.444 219 HB2 ALA 26 2HB ALA 26 1.621 -6.495 3.120 220 HB3 ALA 26 3HB ALA 26 1.775 -4.816 2.600 221 H GLU 27 H GLU 27 -0.229 -4.399 5.450 222 HA GLU 27 HA GLU 27 -0.237 -1.660 5.181 223 HB2 GLU 27 2HB GLU 27 -2.234 -2.995 5.683 224 HB3 GLU 27 1HB GLU 27 -1.604 -3.353 7.287 225 HG2 GLU 27 2HG GLU 27 -1.964 -1.187 8.047 226 HG3 GLU 27 1HG GLU 27 -2.057 -0.524 6.416 227 H LYS 28 H LYS 28 1.045 -3.661 7.768 228 HA LYS 28 HA LYS 28 1.503 -1.549 9.616 229 HB2 LYS 28 2HB LYS 28 1.610 -4.256 9.781 230 HB3 LYS 28 1HB LYS 28 3.324 -3.878 9.692 231 HG2 LYS 28 2HG LYS 28 3.156 -2.450 11.629 232 HG3 LYS 28 1HG LYS 28 1.407 -2.690 11.688 233 HD2 LYS 28 2HD LYS 28 2.307 -4.146 13.313 234 HD3 LYS 28 1HD LYS 28 1.897 -5.167 11.933 235 HE2 LYS 28 2HE LYS 28 3.987 -5.958 12.240 236 HE3 LYS 28 1HE LYS 28 4.438 -4.530 11.310 237 HZ1 LYS 28 3HZ LYS 28 5.747 -4.801 13.353 238 HZ2 LYS 28 1HZ LYS 28 4.336 -4.648 14.275 239 HZ3 LYS 28 2HZ LYS 28 4.879 -3.349 13.338 240 H TYR 29 H TYR 29 3.548 -3.196 7.249 241 HA TYR 29 HA TYR 29 5.829 -1.537 7.758 242 HD1 TYR 29 1HD TYR 29 6.239 -1.558 4.013 243 HD2 TYR 29 2HD TYR 29 8.424 -3.664 6.996 244 HE1 TYR 29 1HE TYR 29 8.338 -0.907 2.923 245 HE2 TYR 29 2HE TYR 29 10.534 -3.017 5.911 246 HH TYR 29 HH TYR 29 11.360 -2.294 3.767 247 HB2 TYR 29 2HB TYR 29 6.099 -3.837 6.958 248 HB3 TYR 29 1HB TYR 29 5.222 -3.435 5.481 249 H PHE 30 H PHE 30 3.793 -1.972 4.874 250 HA PHE 30 HA PHE 30 4.711 0.098 3.353 251 HD1 PHE 30 1HD PHE 30 5.182 -0.171 1.833 252 HD2 PHE 30 2HD PHE 30 1.477 -2.138 1.080 253 HE1 PHE 30 1HE PHE 30 6.008 -0.876 -0.365 254 HE2 PHE 30 2HE PHE 30 2.303 -2.840 -1.123 255 HZ PHE 30 HZ PHE 30 4.571 -2.214 -1.848 256 HB2 PHE 30 2HB PHE 30 2.319 -1.554 3.442 257 HB3 PHE 30 1HB PHE 30 1.970 0.053 2.819 258 H LYS 31 H LYS 31 2.361 0.286 5.981 259 HA LYS 31 HA LYS 31 1.721 3.035 5.483 260 HB2 LYS 31 2HB LYS 31 0.189 1.475 6.673 261 HB3 LYS 31 1HB LYS 31 1.328 1.440 8.020 262 HG2 LYS 31 2HG LYS 31 1.021 3.862 8.315 263 HG3 LYS 31 1HG LYS 31 -0.163 3.854 7.009 264 HD2 LYS 31 2HD LYS 31 -1.775 2.985 8.313 265 HD3 LYS 31 1HD LYS 31 -0.665 1.867 9.105 266 HE2 LYS 31 2HE LYS 31 -0.845 4.819 9.701 267 HE3 LYS 31 1HE LYS 31 -1.646 3.561 10.637 268 HZ1 LYS 31 3HZ LYS 31 0.619 2.584 10.986 269 HZ2 LYS 31 1HZ LYS 31 0.357 4.077 11.745 270 HZ3 LYS 31 2HZ LYS 31 1.267 3.998 10.320 271 H LEU 32 H LEU 32 4.031 1.304 7.469 272 HA LEU 32 HA LEU 32 4.862 3.494 9.053 273 HG LEU 32 HG LEU 32 5.650 2.742 10.848 274 HB2 LEU 32 2HB LEU 32 5.568 0.747 8.718 275 HB3 LEU 32 1HB LEU 32 7.034 1.704 8.690 276 HD11 LEU 32 1HD1 LEU 32 5.202 -0.223 10.653 277 HD12 LEU 32 2HD1 LEU 32 4.009 1.048 10.920 278 HD13 LEU 32 3HD1 LEU 32 5.176 0.653 12.182 279 HD21 LEU 32 3HD2 LEU 32 7.321 1.040 12.058 280 HD22 LEU 32 1HD2 LEU 32 7.866 2.508 11.248 281 HD23 LEU 32 2HD2 LEU 32 7.967 0.957 10.420 282 H TYR 33 H TYR 33 5.609 2.484 5.820 283 HA TYR 33 HA TYR 33 8.003 4.066 5.587 284 HD1 TYR 33 2HD TYR 33 5.966 4.473 2.075 285 HD2 TYR 33 1HD TYR 33 9.831 2.972 3.047 286 HE1 TYR 33 2HE TYR 33 6.897 5.606 0.106 287 HE2 TYR 33 1HE TYR 33 10.771 4.103 1.075 288 HH TYR 33 HH TYR 33 8.999 6.418 -0.734 289 HB2 TYR 33 2HB TYR 33 7.945 2.154 4.197 290 HB3 TYR 33 1HB TYR 33 6.310 2.509 3.636 291 H ALA 34 H ALA 34 4.744 4.248 4.164 292 HA ALA 34 HA ALA 34 5.038 6.698 2.886 293 HB1 ALA 34 1HB ALA 34 2.441 6.766 3.324 294 HB2 ALA 34 2HB ALA 34 2.719 5.103 3.839 295 HB3 ALA 34 3HB ALA 34 3.154 5.606 2.206 296 H ASN 35 H ASN 35 4.190 5.978 6.224 297 HA ASN 35 HA ASN 35 3.488 8.681 6.868 298 HB2 ASN 35 2HB ASN 35 2.695 6.539 8.047 299 HB3 ASN 35 1HB ASN 35 4.252 6.567 8.867 300 HD21 ASN 35 1HD2 ASN 35 3.440 6.936 10.885 301 HD22 ASN 35 2HD2 ASN 35 2.685 8.420 11.347 302 H ALA 36 H ALA 36 6.369 6.675 7.218 303 HA ALA 36 HA ALA 36 7.808 8.670 8.707 304 HB1 ALA 36 1HB ALA 36 8.491 6.512 9.219 305 HB2 ALA 36 2HB ALA 36 9.770 7.091 8.154 306 HB3 ALA 36 3HB ALA 36 8.526 6.015 7.527 307 H LYS 37 H LYS 37 8.172 7.298 5.433 308 HA LYS 37 HA LYS 37 10.111 9.236 4.647 309 HB2 LYS 37 2HB LYS 37 8.747 6.939 3.432 310 HB3 LYS 37 1HB LYS 37 9.124 8.227 2.296 311 HG2 LYS 37 2HG LYS 37 10.918 6.632 2.320 312 HG3 LYS 37 1HG LYS 37 11.475 8.150 3.028 313 HD2 LYS 37 2HD LYS 37 10.347 6.287 4.978 314 HD3 LYS 37 1HD LYS 37 11.769 5.663 4.146 315 HE2 LYS 37 2HE LYS 37 12.539 8.213 4.722 316 HE3 LYS 37 1HE LYS 37 11.525 7.826 6.110 317 HZ1 LYS 37 3HZ LYS 37 13.504 5.845 5.271 318 HZ2 LYS 37 1HZ LYS 37 12.945 6.222 6.821 319 HZ3 LYS 37 2HZ LYS 37 14.068 7.231 6.059 320 H THR 38 H THR 38 6.926 8.654 3.160 321 HA THR 38 HA THR 38 6.818 11.438 2.343 322 HB THR 38 HB THR 38 4.508 9.672 1.798 323 HG1 THR 38 1HG THR 38 7.074 9.146 0.713 324 HG21 THR 38 3HG2 THR 38 6.129 10.925 -0.334 325 HG22 THR 38 1HG2 THR 38 5.231 11.988 0.750 326 HG23 THR 38 2HG2 THR 38 4.380 10.756 -0.182 327 H VAL 39 H VAL 39 3.908 11.611 2.326 328 HA VAL 39 HA VAL 39 3.471 12.078 5.200 329 HB VAL 39 HB VAL 39 1.986 13.418 2.943 330 HG11 VAL 39 1HG1 VAL 39 1.770 15.149 4.871 331 HG12 VAL 39 2HG1 VAL 39 2.139 13.773 5.903 332 HG13 VAL 39 3HG1 VAL 39 0.726 13.729 4.848 333 HG21 VAL 39 3HG2 VAL 39 4.303 14.601 4.455 334 HG22 VAL 39 1HG2 VAL 39 3.456 15.278 3.067 335 HG23 VAL 39 2HG2 VAL 39 4.466 13.845 2.870 336 H GLU 40 H GLU 40 1.192 11.900 5.929 337 HA GLU 40 HA GLU 40 -0.028 9.519 4.748 338 HB2 GLU 40 2HB GLU 40 -1.397 9.562 6.891 339 HB3 GLU 40 1HB GLU 40 0.323 9.254 7.069 340 HG2 GLU 40 2HG GLU 40 0.701 11.189 8.165 341 HG3 GLU 40 1HG GLU 40 -0.525 12.071 7.256 342 H GLY 41 H GLY 41 -1.418 9.996 3.165 343 HA2 GLY 41 2HA GLY 41 -3.479 12.033 3.741 344 HA3 GLY 41 1HA GLY 41 -2.741 11.875 2.144 345 H VAL 42 H VAL 42 -4.374 11.191 0.872 346 HA VAL 42 HA VAL 42 -6.484 9.514 1.689 347 HB VAL 42 HB VAL 42 -5.452 9.753 -1.140 348 HG11 VAL 42 1HG1 VAL 42 -8.174 9.165 0.009 349 HG12 VAL 42 2HG1 VAL 42 -7.124 8.041 -0.857 350 HG13 VAL 42 3HG1 VAL 42 -7.839 9.418 -1.703 351 HG21 VAL 42 3HG2 VAL 42 -7.439 11.561 -1.043 352 HG22 VAL 42 1HG2 VAL 42 -5.739 11.969 -0.808 353 HG23 VAL 42 2HG2 VAL 42 -6.794 11.738 0.589 354 H TRP 43 H TRP 43 -6.898 7.306 1.077 355 HA TRP 43 HA TRP 43 -4.483 5.719 0.588 356 HD1 TRP 43 HD TRP 43 -4.739 7.183 4.181 357 HE1 TRP 43 1HE TRP 43 -2.395 6.818 5.178 358 HE3 TRP 43 3HE TRP 43 -3.543 2.824 1.824 359 HZ2 TRP 43 2HZ TRP 43 -0.305 4.924 4.982 360 HZ3 TRP 43 3HZ TRP 43 -1.349 1.793 2.279 361 HH2 TRP 43 HH TRP 43 0.234 2.823 3.824 362 HB2 TRP 43 2HB TRP 43 -6.391 5.583 2.860 363 HB3 TRP 43 1HB TRP 43 -5.751 4.064 2.245 364 H THR 44 H THR 44 -4.759 3.802 -0.519 365 HA THR 44 HA THR 44 -7.382 2.858 -1.245 366 HB THR 44 HB THR 44 -6.241 3.049 -3.769 367 HG1 THR 44 1HG THR 44 -5.957 5.538 -2.443 368 HG21 THR 44 3HG2 THR 44 -8.534 3.379 -3.615 369 HG22 THR 44 1HG2 THR 44 -7.906 4.962 -4.080 370 HG23 THR 44 2HG2 THR 44 -8.367 4.651 -2.405 371 H TYR 45 H TYR 45 -7.308 0.797 -2.347 372 HA TYR 45 HA TYR 45 -4.664 -0.494 -2.281 373 HD1 TYR 45 1HD TYR 45 -3.552 -2.146 -0.818 374 HD2 TYR 45 2HD TYR 45 -7.299 -3.978 -1.657 375 HE1 TYR 45 1HE TYR 45 -2.456 -4.345 -0.876 376 HE2 TYR 45 2HE TYR 45 -6.211 -6.185 -1.718 377 HH TYR 45 HH TYR 45 -3.704 -7.035 -0.462 378 HB2 TYR 45 2HB TYR 45 -5.938 -1.093 -0.250 379 HB3 TYR 45 1HB TYR 45 -7.240 -1.708 -1.264 380 H LYS 46 H LYS 46 -4.435 -2.353 -3.628 381 HA LYS 46 HA LYS 46 -6.400 -2.475 -5.821 382 HB2 LYS 46 2HB LYS 46 -3.478 -3.075 -6.195 383 HB3 LYS 46 1HB LYS 46 -4.681 -2.695 -7.413 384 HG2 LYS 46 2HG LYS 46 -3.906 -0.668 -5.357 385 HG3 LYS 46 1HG LYS 46 -2.930 -0.917 -6.805 386 HD2 LYS 46 2HD LYS 46 -5.843 -0.606 -7.200 387 HD3 LYS 46 1HD LYS 46 -4.952 0.831 -6.691 388 HE2 LYS 46 2HE LYS 46 -3.890 -0.830 -8.926 389 HE3 LYS 46 1HE LYS 46 -5.243 0.259 -9.232 390 HZ1 LYS 46 3HZ LYS 46 -2.672 0.981 -9.370 391 HZ2 LYS 46 1HZ LYS 46 -3.024 1.421 -7.782 392 HZ3 LYS 46 2HZ LYS 46 -3.934 2.058 -9.051 393 H ASP 47 H ASP 47 -7.335 -4.392 -6.052 394 HA ASP 47 HA ASP 47 -6.188 -6.704 -4.689 395 HB2 ASP 47 2HB ASP 47 -8.893 -5.886 -5.545 396 HB3 ASP 47 1HB ASP 47 -8.544 -7.612 -5.667 397 H GLU 48 H GLU 48 -5.214 -5.572 -7.320 398 HA GLU 48 HA GLU 48 -5.790 -7.767 -9.142 399 HB2 GLU 48 2HB GLU 48 -4.820 -5.024 -9.402 400 HB3 GLU 48 1HB GLU 48 -3.905 -6.163 -10.375 401 HG2 GLU 48 2HG GLU 48 -6.865 -6.309 -10.472 402 HG3 GLU 48 1HG GLU 48 -6.071 -4.956 -11.277 403 H THR 49 H THR 49 -3.209 -6.484 -7.179 404 HA THR 49 HA THR 49 -1.812 -8.976 -7.213 405 HB THR 49 HB THR 49 -0.258 -6.652 -8.331 406 HG1 THR 49 1HG THR 49 -0.616 -7.543 -10.379 407 HG21 THR 49 3HG2 THR 49 1.331 -8.227 -9.019 408 HG22 THR 49 1HG2 THR 49 0.238 -9.581 -8.735 409 HG23 THR 49 2HG2 THR 49 0.902 -8.688 -7.375 410 H LYS 50 H LYS 50 -2.986 -7.110 -5.313 411 HA LYS 50 HA LYS 50 -2.561 -6.248 -3.251 412 HB2 LYS 50 2HB LYS 50 -0.153 -7.999 -3.665 413 HB3 LYS 50 1HB LYS 50 -0.325 -7.033 -2.208 414 HG2 LYS 50 2HG LYS 50 -1.852 -8.407 -1.333 415 HG3 LYS 50 1HG LYS 50 -2.700 -8.601 -2.868 416 HD2 LYS 50 2HD LYS 50 -0.342 -9.941 -3.307 417 HD3 LYS 50 1HD LYS 50 -0.675 -10.293 -1.609 418 HE2 LYS 50 2HE LYS 50 -1.641 -11.955 -3.174 419 HE3 LYS 50 1HE LYS 50 -2.844 -11.164 -2.156 420 HZ1 LYS 50 3HZ LYS 50 -3.738 -10.056 -3.913 421 HZ2 LYS 50 1HZ LYS 50 -3.190 -11.432 -4.730 422 HZ3 LYS 50 2HZ LYS 50 -2.290 -10.000 -4.787 423 H THR 51 H THR 51 -2.490 -4.102 -4.068 424 HA THR 51 HA THR 51 0.168 -2.903 -3.830 425 HB THR 51 HB THR 51 -1.727 -2.249 -6.093 426 HG1 THR 51 1HG THR 51 0.711 -3.696 -6.087 427 HG21 THR 51 3HG2 THR 51 -0.556 -0.312 -5.937 428 HG22 THR 51 1HG2 THR 51 0.558 -1.249 -6.935 429 HG23 THR 51 2HG2 THR 51 0.849 -1.087 -5.203 430 H PHE 52 H PHE 52 0.159 -1.168 -2.567 431 HA PHE 52 HA PHE 52 -2.422 0.009 -1.821 432 HD1 PHE 52 2HD PHE 52 -0.427 -2.564 -0.323 433 HD2 PHE 52 1HD PHE 52 -2.668 0.587 1.451 434 HE1 PHE 52 2HE PHE 52 -1.534 -4.189 1.158 435 HE2 PHE 52 1HE PHE 52 -3.776 -1.030 2.937 436 HZ PHE 52 HZ PHE 52 -3.210 -3.422 2.791 437 HB2 PHE 52 2HB PHE 52 0.258 -0.143 -0.477 438 HB3 PHE 52 1HB PHE 52 -0.906 1.094 0.001 439 H THR 53 H THR 53 -2.708 2.284 -1.785 440 HA THR 53 HA THR 53 -0.648 3.906 -3.073 441 HB THR 53 HB THR 53 -1.842 3.362 -5.007 442 HG1 THR 53 1HG THR 53 -1.705 5.663 -4.618 443 HG21 THR 53 3HG2 THR 53 -4.503 3.930 -4.740 444 HG22 THR 53 1HG2 THR 53 -4.127 3.106 -3.227 445 HG23 THR 53 2HG2 THR 53 -3.788 2.317 -4.770 446 H VAL 54 H VAL 54 -0.365 5.674 -1.913 447 HA VAL 54 HA VAL 54 -2.696 6.947 -0.653 448 HB VAL 54 HB VAL 54 -1.614 5.762 1.142 449 HG11 VAL 54 1HG1 VAL 54 0.934 7.123 0.285 450 HG12 VAL 54 2HG1 VAL 54 0.555 5.410 0.100 451 HG13 VAL 54 3HG1 VAL 54 0.740 6.103 1.711 452 HG21 VAL 54 3HG2 VAL 54 -0.443 8.131 2.111 453 HG22 VAL 54 1HG2 VAL 54 -2.077 7.536 2.405 454 HG23 VAL 54 2HG2 VAL 54 -1.766 8.630 1.058 455 H THR 55 H THR 55 -2.863 8.998 -1.279 456 HA THR 55 HA THR 55 -0.412 10.416 -2.090 457 HB THR 55 HB THR 55 -1.656 10.077 -4.068 458 HG1 THR 55 1HG THR 55 -2.522 12.631 -3.217 459 HG21 THR 55 3HG2 THR 55 -3.947 10.283 -2.333 460 HG22 THR 55 1HG2 THR 55 -3.792 9.538 -3.924 461 HG23 THR 55 2HG2 THR 55 -4.124 11.262 -3.789 462 H GLU 56 H GLU 56 -0.693 12.853 -2.028 463 HA GLU 56 HA GLU 56 -1.555 13.570 0.621 464 HB2 GLU 56 2HB GLU 56 0.511 14.499 -0.289 465 HB3 GLU 56 1HB GLU 56 -0.378 15.246 -1.605 466 HG2 GLU 56 2HG GLU 56 0.249 16.820 0.195 467 HG3 GLU 56 1HG GLU 56 -1.483 16.732 -0.094 Start of MODEL 12 1 HA THR 1 HA THR 1 4.502 -12.703 -2.414 2 HB THR 1 HB THR 1 1.984 -11.097 -2.641 3 HG1 THR 1 1HG THR 1 1.147 -12.808 -1.603 4 H1 THR 1 1HT THR 1 2.637 -11.999 -0.259 5 H2 THR 1 2HT THR 1 4.302 -12.322 0.007 6 H3 THR 1 3HT THR 1 3.284 -13.536 -0.658 7 HG21 THR 1 3HG2 THR 1 2.235 -13.088 -4.626 8 HG22 THR 1 1HG2 THR 1 3.803 -12.301 -4.458 9 HG23 THR 1 2HG2 THR 1 2.364 -11.340 -4.801 10 H THR 2 H THR 2 4.946 -10.784 -3.840 11 HA THR 2 HA THR 2 6.214 -8.750 -2.321 12 HB THR 2 HB THR 2 5.673 -8.812 -5.292 13 HG1 THR 2 1HG THR 2 7.776 -9.728 -5.381 14 HG21 THR 2 3HG2 THR 2 6.534 -6.657 -4.136 15 HG22 THR 2 1HG2 THR 2 7.320 -7.245 -5.603 16 HG23 THR 2 2HG2 THR 2 8.054 -7.547 -4.028 17 H TYR 3 H TYR 3 5.398 -6.931 -1.545 18 HA TYR 3 HA TYR 3 2.781 -6.033 -2.515 19 HD1 TYR 3 2HD TYR 3 0.919 -4.405 -0.586 20 HD2 TYR 3 1HD TYR 3 2.879 -8.023 0.482 21 HE1 TYR 3 2HE TYR 3 -1.246 -5.386 0.045 22 HE2 TYR 3 1HE TYR 3 0.721 -9.016 1.112 23 HH TYR 3 HH TYR 3 -1.656 -8.711 0.630 24 HB2 TYR 3 2HB TYR 3 4.146 -6.024 0.083 25 HB3 TYR 3 1HB TYR 3 3.345 -4.498 -0.300 26 H LYS 4 H LYS 4 2.435 -3.993 -3.306 27 HA LYS 4 HA LYS 4 4.844 -2.342 -3.718 28 HB2 LYS 4 2HB LYS 4 3.503 -3.530 -5.698 29 HB3 LYS 4 1HB LYS 4 2.523 -2.078 -5.557 30 HG2 LYS 4 2HG LYS 4 4.380 -0.677 -6.037 31 HG3 LYS 4 1HG LYS 4 5.509 -2.025 -5.899 32 HD2 LYS 4 2HD LYS 4 5.237 -2.528 -8.049 33 HD3 LYS 4 1HD LYS 4 3.489 -2.654 -7.834 34 HE2 LYS 4 2HE LYS 4 3.490 -0.090 -7.950 35 HE3 LYS 4 1HE LYS 4 5.123 -0.252 -8.596 36 HZ1 LYS 4 3HZ LYS 4 4.312 -1.480 -10.438 37 HZ2 LYS 4 1HZ LYS 4 3.322 -0.112 -10.295 38 HZ3 LYS 4 2HZ LYS 4 2.765 -1.619 -9.768 39 H LEU 5 H LEU 5 4.797 -0.271 -3.080 40 HA LEU 5 HA LEU 5 2.191 0.892 -2.349 41 HG LEU 5 HG LEU 5 3.635 3.263 -0.825 42 HB2 LEU 5 2HB LEU 5 3.257 0.317 -0.291 43 HB3 LEU 5 1HB LEU 5 4.782 1.019 -0.815 44 HD11 LEU 5 1HD1 LEU 5 1.351 2.695 -0.968 45 HD12 LEU 5 2HD1 LEU 5 1.584 3.367 0.644 46 HD13 LEU 5 3HD1 LEU 5 1.450 1.620 0.427 47 HD21 LEU 5 3HD2 LEU 5 4.549 1.678 1.391 48 HD22 LEU 5 1HD2 LEU 5 3.311 2.816 1.920 49 HD23 LEU 5 2HD2 LEU 5 4.751 3.403 1.089 50 H ILE 6 H ILE 6 1.814 2.928 -3.016 51 HA ILE 6 HA ILE 6 4.050 4.475 -4.128 52 HB ILE 6 HB ILE 6 3.146 3.614 -6.106 53 HG12 ILE 6 2HG1 ILE 6 1.574 6.169 -5.749 54 HG13 ILE 6 1HG1 ILE 6 3.316 6.136 -6.017 55 HG21 ILE 6 1HG2 ILE 6 1.183 2.580 -6.037 56 HG22 ILE 6 2HG2 ILE 6 0.405 4.157 -6.154 57 HG23 ILE 6 3HG2 ILE 6 0.719 3.444 -4.573 58 HD11 ILE 6 3HD1 ILE 6 1.335 4.903 -7.907 59 HD12 ILE 6 1HD1 ILE 6 3.048 5.216 -8.183 60 HD13 ILE 6 2HD1 ILE 6 1.915 6.563 -8.046 61 H LEU 7 H LEU 7 4.023 6.592 -3.622 62 HA LEU 7 HA LEU 7 1.545 7.713 -2.510 63 HG LEU 7 HG LEU 7 2.545 6.088 -0.768 64 HB2 LEU 7 2HB LEU 7 4.314 8.245 -1.445 65 HB3 LEU 7 1HB LEU 7 2.806 8.913 -0.829 66 HD11 LEU 7 1HD1 LEU 7 4.803 5.607 -0.766 67 HD12 LEU 7 2HD1 LEU 7 4.460 5.756 0.959 68 HD13 LEU 7 3HD1 LEU 7 5.229 7.088 0.090 69 HD21 LEU 7 3HD2 LEU 7 1.911 6.465 1.396 70 HD22 LEU 7 1HD2 LEU 7 1.714 8.084 0.729 71 HD23 LEU 7 2HD2 LEU 7 3.154 7.686 1.666 72 H ASN 8 H ASN 8 0.979 9.680 -3.234 73 HA ASN 8 HA ASN 8 2.902 11.072 -4.983 74 HB2 ASN 8 2HB ASN 8 -0.113 11.244 -5.134 75 HB3 ASN 8 1HB ASN 8 1.051 11.878 -6.292 76 HD21 ASN 8 1HD2 ASN 8 1.037 10.746 -8.080 77 HD22 ASN 8 2HD2 ASN 8 0.889 9.019 -8.199 78 H LEU 9 H LEU 9 3.642 12.919 -4.203 79 HA LEU 9 HA LEU 9 2.086 14.326 -2.151 80 HG LEU 9 HG LEU 9 4.025 13.152 -0.564 81 HB2 LEU 9 2HB LEU 9 4.936 13.911 -2.663 82 HB3 LEU 9 1HB LEU 9 4.533 15.577 -2.280 83 HD11 LEU 9 1HD1 LEU 9 5.579 15.536 0.278 84 HD12 LEU 9 2HD1 LEU 9 6.342 14.361 -0.794 85 HD13 LEU 9 3HD1 LEU 9 5.728 13.856 0.782 86 HD21 LEU 9 3HD2 LEU 9 2.436 14.266 0.511 87 HD22 LEU 9 1HD2 LEU 9 2.556 15.567 -0.670 88 HD23 LEU 9 2HD2 LEU 9 3.538 15.613 0.792 89 H LYS 10 H LYS 10 2.779 16.829 -2.225 90 HA LYS 10 HA LYS 10 1.753 17.766 -4.784 91 HB2 LYS 10 2HB LYS 10 1.070 18.491 -2.309 92 HB3 LYS 10 1HB LYS 10 2.374 19.643 -2.560 93 HG2 LYS 10 2HG LYS 10 1.090 20.087 -4.819 94 HG3 LYS 10 1HG LYS 10 -0.273 19.442 -3.900 95 HD2 LYS 10 2HD LYS 10 0.889 21.200 -2.129 96 HD3 LYS 10 1HD LYS 10 1.094 22.012 -3.678 97 HE2 LYS 10 2HE LYS 10 -1.249 21.927 -4.119 98 HE3 LYS 10 1HE LYS 10 -1.529 20.889 -2.725 99 HZ1 LYS 10 3HZ LYS 10 -1.415 22.614 -1.293 100 HZ2 LYS 10 1HZ LYS 10 -1.900 23.492 -2.649 101 HZ3 LYS 10 2HZ LYS 10 -0.273 23.465 -2.205 102 H GLN 11 H GLN 11 4.237 16.830 -5.182 103 HA GLN 11 HA GLN 11 5.595 18.995 -6.311 104 HB2 GLN 11 2HB GLN 11 7.683 18.824 -4.835 105 HB3 GLN 11 1HB GLN 11 6.319 19.734 -4.202 106 HG2 GLN 11 2HG GLN 11 5.983 17.053 -3.377 107 HG3 GLN 11 1HG GLN 11 7.670 17.491 -3.081 108 HE21 GLN 11 1HE2 GLN 11 5.622 16.953 -1.141 109 HE22 GLN 11 2HE2 GLN 11 5.434 18.378 -0.188 110 H ALA 12 H ALA 12 5.911 15.775 -4.910 111 HA ALA 12 HA ALA 12 7.008 14.790 -7.400 112 HB1 ALA 12 1HB ALA 12 8.601 14.045 -5.007 113 HB2 ALA 12 2HB ALA 12 8.883 15.621 -5.737 114 HB3 ALA 12 3HB ALA 12 9.088 14.160 -6.700 115 H LYS 13 H LYS 13 6.741 12.582 -7.690 116 HA LYS 13 HA LYS 13 5.101 11.263 -5.636 117 HB2 LYS 13 2HB LYS 13 5.215 10.554 -8.568 118 HB3 LYS 13 1HB LYS 13 4.040 10.014 -7.378 119 HG2 LYS 13 2HG LYS 13 2.771 11.833 -7.634 120 HG3 LYS 13 1HG LYS 13 4.162 12.914 -7.655 121 HD2 LYS 13 2HD LYS 13 3.052 13.048 -9.783 122 HD3 LYS 13 1HD LYS 13 4.589 12.217 -9.999 123 HE2 LYS 13 2HE LYS 13 3.405 10.658 -11.073 124 HE3 LYS 13 1HE LYS 13 2.891 10.148 -9.467 125 HZ1 LYS 13 3HZ LYS 13 0.854 10.486 -10.303 126 HZ2 LYS 13 1HZ LYS 13 1.398 11.500 -11.544 127 HZ3 LYS 13 2HZ LYS 13 1.157 12.119 -9.987 128 H GLU 14 H GLU 14 5.955 9.577 -4.621 129 HA GLU 14 HA GLU 14 8.171 8.131 -5.919 130 HB2 GLU 14 2HB GLU 14 7.953 8.222 -2.944 131 HB3 GLU 14 1HB GLU 14 9.377 8.036 -3.948 132 HG2 GLU 14 2HG GLU 14 9.434 10.355 -4.447 133 HG3 GLU 14 1HG GLU 14 7.832 10.606 -3.745 134 H GLU 15 H GLU 15 8.139 5.946 -5.903 135 HA GLU 15 HA GLU 15 6.138 4.549 -4.300 136 HB2 GLU 15 2HB GLU 15 5.472 3.224 -6.358 137 HB3 GLU 15 1HB GLU 15 4.875 4.876 -6.277 138 HG2 GLU 15 2HG GLU 15 5.954 5.473 -8.129 139 HG3 GLU 15 1HG GLU 15 7.440 4.663 -7.633 140 H ALA 16 H ALA 16 6.702 2.453 -3.781 141 HA ALA 16 HA ALA 16 9.104 1.325 -5.016 142 HB1 ALA 16 1HB ALA 16 9.859 0.697 -2.641 143 HB2 ALA 16 2HB ALA 16 8.778 1.984 -2.110 144 HB3 ALA 16 3HB ALA 16 10.123 2.352 -3.189 145 H ILE 17 H ILE 17 9.494 -0.956 -4.189 146 HA ILE 17 HA ILE 17 6.935 -2.309 -3.643 147 HB ILE 17 HB ILE 17 7.553 -2.585 -6.012 148 HG12 ILE 17 2HG1 ILE 17 7.936 -5.278 -5.645 149 HG13 ILE 17 1HG1 ILE 17 7.267 -4.793 -4.092 150 HG21 ILE 17 1HG2 ILE 17 9.544 -3.508 -6.753 151 HG22 ILE 17 2HG2 ILE 17 9.920 -4.216 -5.185 152 HG23 ILE 17 3HG2 ILE 17 10.068 -2.474 -5.422 153 HD11 ILE 17 3HD1 ILE 17 5.915 -3.858 -6.564 154 HD12 ILE 17 1HD1 ILE 17 5.242 -4.244 -4.982 155 HD13 ILE 17 2HD1 ILE 17 5.725 -5.541 -6.074 156 H LYS 18 H LYS 18 6.971 -3.840 -2.090 157 HA LYS 18 HA LYS 18 9.589 -4.676 -1.033 158 HB2 LYS 18 2HB LYS 18 7.243 -4.434 0.800 159 HB3 LYS 18 1HB LYS 18 8.956 -4.312 1.162 160 HG2 LYS 18 2HG LYS 18 7.842 -2.188 -0.562 161 HG3 LYS 18 1HG LYS 18 7.290 -2.214 1.111 162 HD2 LYS 18 2HD LYS 18 9.189 -0.820 1.093 163 HD3 LYS 18 1HD LYS 18 9.739 -2.355 1.766 164 HE2 LYS 18 2HE LYS 18 10.434 -2.950 -0.618 165 HE3 LYS 18 1HE LYS 18 10.214 -1.238 -0.980 166 HZ1 LYS 18 3HZ LYS 18 11.749 -0.961 1.090 167 HZ2 LYS 18 1HZ LYS 18 12.417 -1.300 -0.427 168 HZ3 LYS 18 2HZ LYS 18 12.230 -2.538 0.710 169 H GLU 19 H GLU 19 9.263 -6.624 0.516 170 HA GLU 19 HA GLU 19 7.430 -8.524 -0.793 171 HB2 GLU 19 2HB GLU 19 9.079 -10.279 -0.024 172 HB3 GLU 19 1HB GLU 19 9.653 -9.200 -1.287 173 HG2 GLU 19 2HG GLU 19 11.058 -8.044 0.173 174 HG3 GLU 19 1HG GLU 19 10.231 -8.662 1.601 175 H LEU 20 H LEU 20 5.859 -9.316 0.444 176 HA LEU 20 HA LEU 20 6.304 -9.657 3.313 177 HG LEU 20 HG LEU 20 6.412 -7.085 2.895 178 HB2 LEU 20 2HB LEU 20 3.987 -8.127 2.123 179 HB3 LEU 20 1HB LEU 20 4.094 -8.630 3.800 180 HD11 LEU 20 1HD1 LEU 20 4.804 -4.981 3.302 181 HD12 LEU 20 2HD1 LEU 20 3.680 -6.063 2.483 182 HD13 LEU 20 3HD1 LEU 20 5.195 -5.611 1.703 183 HD21 LEU 20 3HD2 LEU 20 4.645 -6.290 5.143 184 HD22 LEU 20 1HD2 LEU 20 6.407 -6.325 5.040 185 HD23 LEU 20 2HD2 LEU 20 5.507 -7.824 5.271 186 H VAL 21 H VAL 21 3.894 -10.546 4.163 187 HA VAL 21 HA VAL 21 3.505 -12.929 2.481 188 HB VAL 21 HB VAL 21 2.577 -14.015 4.480 189 HG11 VAL 21 1HG1 VAL 21 4.796 -14.543 4.313 190 HG12 VAL 21 2HG1 VAL 21 4.788 -13.755 5.890 191 HG13 VAL 21 3HG1 VAL 21 5.322 -12.866 4.464 192 HG21 VAL 21 3HG2 VAL 21 3.198 -11.381 5.807 193 HG22 VAL 21 1HG2 VAL 21 2.893 -12.875 6.691 194 HG23 VAL 21 2HG2 VAL 21 1.630 -12.180 5.673 195 H ASP 22 H ASP 22 1.664 -10.574 4.399 196 HA ASP 22 HA ASP 22 -0.601 -10.964 2.575 197 HB2 ASP 22 2HB ASP 22 -0.675 -12.101 5.021 198 HB3 ASP 22 1HB ASP 22 -1.277 -10.494 5.427 199 H ALA 23 H ALA 23 -2.372 -9.174 3.504 200 HA ALA 23 HA ALA 23 -1.019 -6.673 2.999 201 HB1 ALA 23 1HB ALA 23 -3.432 -7.530 2.247 202 HB2 ALA 23 2HB ALA 23 -3.035 -5.821 2.429 203 HB3 ALA 23 3HB ALA 23 -3.889 -6.671 3.720 204 H ALA 24 H ALA 24 -2.472 -8.337 5.711 205 HA ALA 24 HA ALA 24 -2.758 -6.233 7.509 206 HB1 ALA 24 1HB ALA 24 -3.125 -7.831 9.067 207 HB2 ALA 24 2HB ALA 24 -1.683 -8.744 8.624 208 HB3 ALA 24 3HB ALA 24 -3.153 -8.898 7.663 209 H THR 25 H THR 25 0.055 -8.284 6.829 210 HA THR 25 HA THR 25 1.777 -6.879 8.608 211 HB THR 25 HB THR 25 2.062 -9.284 7.680 212 HG1 THR 25 1HG THR 25 4.297 -9.110 7.902 213 HG21 THR 25 3HG2 THR 25 3.577 -9.449 5.754 214 HG22 THR 25 1HG2 THR 25 3.298 -7.741 5.421 215 HG23 THR 25 2HG2 THR 25 1.962 -8.886 5.330 216 H ALA 26 H ALA 26 1.169 -6.775 5.122 217 HA ALA 26 HA ALA 26 3.129 -4.963 4.359 218 HB1 ALA 26 1HB ALA 26 0.291 -5.225 3.336 219 HB2 ALA 26 2HB ALA 26 1.711 -6.076 2.727 220 HB3 ALA 26 3HB ALA 26 1.581 -4.329 2.527 221 H GLU 27 H GLU 27 -0.208 -4.294 5.307 222 HA GLU 27 HA GLU 27 -0.244 -1.571 5.364 223 HB2 GLU 27 2HB GLU 27 -2.191 -2.996 5.830 224 HB3 GLU 27 1HB GLU 27 -1.475 -3.474 7.368 225 HG2 GLU 27 2HG GLU 27 -1.495 -0.919 7.859 226 HG3 GLU 27 1HG GLU 27 -2.700 -0.869 6.570 227 H LYS 28 H LYS 28 1.151 -3.773 7.731 228 HA LYS 28 HA LYS 28 1.676 -1.802 9.710 229 HB2 LYS 28 2HB LYS 28 1.835 -4.542 9.610 230 HB3 LYS 28 1HB LYS 28 3.531 -4.077 9.627 231 HG2 LYS 28 2HG LYS 28 2.300 -2.504 11.585 232 HG3 LYS 28 1HG LYS 28 1.625 -4.121 11.772 233 HD2 LYS 28 2HD LYS 28 3.526 -4.165 13.123 234 HD3 LYS 28 1HD LYS 28 4.067 -4.929 11.627 235 HE2 LYS 28 2HE LYS 28 5.496 -3.259 11.146 236 HE3 LYS 28 1HE LYS 28 4.385 -2.011 11.711 237 HZ1 LYS 28 3HZ LYS 28 4.986 -2.813 14.024 238 HZ2 LYS 28 1HZ LYS 28 6.178 -1.954 13.185 239 HZ3 LYS 28 2HZ LYS 28 6.273 -3.638 13.304 240 H TYR 29 H TYR 29 3.724 -3.370 7.281 241 HA TYR 29 HA TYR 29 6.001 -1.741 7.782 242 HD1 TYR 29 1HD TYR 29 6.255 -1.498 4.015 243 HD2 TYR 29 2HD TYR 29 8.532 -3.808 6.765 244 HE1 TYR 29 1HE TYR 29 8.317 -0.786 2.892 245 HE2 TYR 29 2HE TYR 29 10.608 -3.101 5.648 246 HH TYR 29 HH TYR 29 11.257 -2.277 3.320 247 HB2 TYR 29 2HB TYR 29 6.200 -3.974 6.791 248 HB3 TYR 29 1HB TYR 29 5.274 -3.440 5.387 249 H PHE 30 H PHE 30 3.826 -1.909 4.981 250 HA PHE 30 HA PHE 30 4.739 0.255 3.577 251 HD1 PHE 30 1HD PHE 30 5.281 -0.283 2.141 252 HD2 PHE 30 2HD PHE 30 1.405 -1.832 1.294 253 HE1 PHE 30 1HE PHE 30 6.091 -1.116 -0.018 254 HE2 PHE 30 2HE PHE 30 2.215 -2.666 -0.871 255 HZ PHE 30 HZ PHE 30 4.561 -2.309 -1.527 256 HB2 PHE 30 2HB PHE 30 2.247 -1.304 3.680 257 HB3 PHE 30 1HB PHE 30 2.061 0.310 3.004 258 H LYS 31 H LYS 31 2.123 0.306 6.013 259 HA LYS 31 HA LYS 31 1.631 3.067 5.788 260 HB2 LYS 31 2HB LYS 31 0.162 1.349 6.933 261 HB3 LYS 31 1HB LYS 31 1.263 1.450 8.305 262 HG2 LYS 31 2HG LYS 31 0.455 3.435 8.973 263 HG3 LYS 31 1HG LYS 31 0.243 4.025 7.325 264 HD2 LYS 31 2HD LYS 31 -1.675 2.207 7.298 265 HD3 LYS 31 1HD LYS 31 -1.620 2.465 9.042 266 HE2 LYS 31 2HE LYS 31 -2.166 4.742 8.832 267 HE3 LYS 31 1HE LYS 31 -1.817 4.748 7.103 268 HZ1 LYS 31 3HZ LYS 31 -4.250 4.691 7.874 269 HZ2 LYS 31 1HZ LYS 31 -3.969 3.049 8.180 270 HZ3 LYS 31 2HZ LYS 31 -3.779 3.663 6.616 271 H LEU 32 H LEU 32 4.031 1.249 7.545 272 HA LEU 32 HA LEU 32 4.858 3.374 9.253 273 HG LEU 32 HG LEU 32 5.581 2.514 11.026 274 HB2 LEU 32 2HB LEU 32 5.570 0.631 8.790 275 HB3 LEU 32 1HB LEU 32 7.021 1.609 8.854 276 HD11 LEU 32 1HD1 LEU 32 3.954 0.756 10.850 277 HD12 LEU 32 2HD1 LEU 32 4.984 0.444 12.246 278 HD13 LEU 32 3HD1 LEU 32 5.221 -0.463 10.751 279 HD21 LEU 32 3HD2 LEU 32 7.220 0.772 12.200 280 HD22 LEU 32 1HD2 LEU 32 7.799 2.256 11.446 281 HD23 LEU 32 2HD2 LEU 32 7.902 0.728 10.573 282 H TYR 33 H TYR 33 5.626 2.388 6.003 283 HA TYR 33 HA TYR 33 8.020 3.935 5.772 284 HD1 TYR 33 1HD TYR 33 5.941 4.576 2.322 285 HD2 TYR 33 2HD TYR 33 9.749 2.869 3.160 286 HE1 TYR 33 1HE TYR 33 6.892 5.750 0.382 287 HE2 TYR 33 2HE TYR 33 10.706 4.039 1.223 288 HH TYR 33 HH TYR 33 9.180 5.137 -1.202 289 HB2 TYR 33 2HB TYR 33 7.843 2.083 4.303 290 HB3 TYR 33 1HB TYR 33 6.221 2.543 3.789 291 H ALA 34 H ALA 34 4.755 4.302 4.389 292 HA ALA 34 HA ALA 34 5.127 6.824 3.269 293 HB1 ALA 34 1HB ALA 34 3.238 5.589 2.599 294 HB2 ALA 34 2HB ALA 34 2.607 6.994 3.460 295 HB3 ALA 34 3HB ALA 34 2.664 5.421 4.257 296 H ASN 35 H ASN 35 4.721 5.919 6.571 297 HA ASN 35 HA ASN 35 3.835 8.532 7.436 298 HB2 ASN 35 2HB ASN 35 4.596 6.004 8.890 299 HB3 ASN 35 1HB ASN 35 4.253 7.504 9.746 300 HD21 ASN 35 1HD2 ASN 35 2.660 5.724 10.550 301 HD22 ASN 35 2HD2 ASN 35 1.105 5.764 9.802 302 H ALA 36 H ALA 36 6.840 6.695 7.356 303 HA ALA 36 HA ALA 36 8.263 8.826 8.747 304 HB1 ALA 36 1HB ALA 36 8.576 6.165 8.874 305 HB2 ALA 36 2HB ALA 36 9.869 7.312 9.222 306 HB3 ALA 36 3HB ALA 36 9.772 6.547 7.636 307 H LYS 37 H LYS 37 7.695 7.710 5.525 308 HA LYS 37 HA LYS 37 9.928 9.297 4.489 309 HB2 LYS 37 2HB LYS 37 8.240 7.098 3.381 310 HB3 LYS 37 1HB LYS 37 8.990 8.230 2.267 311 HG2 LYS 37 2HG LYS 37 10.482 6.434 2.425 312 HG3 LYS 37 1HG LYS 37 11.181 7.707 3.427 313 HD2 LYS 37 2HD LYS 37 9.586 6.351 5.206 314 HD3 LYS 37 1HD LYS 37 10.198 5.058 4.172 315 HE2 LYS 37 2HE LYS 37 11.950 7.136 5.463 316 HE3 LYS 37 1HE LYS 37 11.605 5.564 6.182 317 HZ1 LYS 37 3HZ LYS 37 12.408 4.826 3.760 318 HZ2 LYS 37 1HZ LYS 37 13.463 4.993 5.073 319 HZ3 LYS 37 2HZ LYS 37 13.320 6.239 3.937 320 H THR 38 H THR 38 6.598 8.713 3.348 321 HA THR 38 HA THR 38 6.482 11.515 2.509 322 HB THR 38 HB THR 38 4.261 9.694 1.809 323 HG1 THR 38 1HG THR 38 6.847 9.335 0.705 324 HG21 THR 38 3HG2 THR 38 4.841 12.068 0.893 325 HG22 THR 38 1HG2 THR 38 4.199 10.823 -0.176 326 HG23 THR 38 2HG2 THR 38 5.929 11.167 -0.159 327 H VAL 39 H VAL 39 3.557 11.552 2.413 328 HA VAL 39 HA VAL 39 3.012 11.808 5.298 329 HB VAL 39 HB VAL 39 1.505 13.370 3.226 330 HG11 VAL 39 1HG1 VAL 39 1.649 14.995 5.295 331 HG12 VAL 39 2HG1 VAL 39 1.966 13.493 6.164 332 HG13 VAL 39 3HG1 VAL 39 0.471 13.682 5.243 333 HG21 VAL 39 3HG2 VAL 39 4.286 13.861 4.179 334 HG22 VAL 39 1HG2 VAL 39 3.217 15.239 3.920 335 HG23 VAL 39 2HG2 VAL 39 3.573 14.137 2.589 336 H GLU 40 H GLU 40 0.605 11.723 5.801 337 HA GLU 40 HA GLU 40 -0.516 9.398 4.429 338 HB2 GLU 40 2HB GLU 40 -2.103 9.407 6.418 339 HB3 GLU 40 1HB GLU 40 -0.417 9.055 6.762 340 HG2 GLU 40 2HG GLU 40 -0.054 11.195 7.682 341 HG3 GLU 40 1HG GLU 40 -1.574 11.799 7.048 342 H GLY 41 H GLY 41 -1.856 9.820 2.807 343 HA2 GLY 41 2HA GLY 41 -3.781 12.042 3.140 344 HA3 GLY 41 1HA GLY 41 -3.025 11.653 1.592 345 H VAL 42 H VAL 42 -4.772 11.073 0.394 346 HA VAL 42 HA VAL 42 -6.865 9.414 1.446 347 HB VAL 42 HB VAL 42 -7.592 9.300 -0.991 348 HG11 VAL 42 1HG1 VAL 42 -7.904 11.976 -0.925 349 HG12 VAL 42 2HG1 VAL 42 -7.469 11.667 0.755 350 HG13 VAL 42 3HG1 VAL 42 -8.859 10.851 0.040 351 HG21 VAL 42 3HG2 VAL 42 -6.431 10.307 -2.650 352 HG22 VAL 42 1HG2 VAL 42 -5.064 10.021 -1.572 353 HG23 VAL 42 2HG2 VAL 42 -5.850 11.601 -1.602 354 H TRP 43 H TRP 43 -6.255 7.492 2.046 355 HA TRP 43 HA TRP 43 -4.390 5.856 0.666 356 HD1 TRP 43 HD TRP 43 -4.426 7.461 3.965 357 HE1 TRP 43 1HE TRP 43 -2.105 7.129 5.028 358 HE3 TRP 43 3HE TRP 43 -3.451 2.727 2.312 359 HZ2 TRP 43 2HZ TRP 43 -0.120 5.120 5.147 360 HZ3 TRP 43 3HZ TRP 43 -1.318 1.670 2.943 361 HH2 TRP 43 HH TRP 43 0.312 2.844 4.330 362 HB2 TRP 43 2HB TRP 43 -6.195 5.595 3.019 363 HB3 TRP 43 1HB TRP 43 -5.492 4.129 2.336 364 H THR 44 H THR 44 -4.762 3.927 -0.435 365 HA THR 44 HA THR 44 -7.431 3.035 -1.024 366 HB THR 44 HB THR 44 -6.178 3.361 -3.588 367 HG1 THR 44 1HG THR 44 -6.649 5.796 -2.223 368 HG21 THR 44 3HG2 THR 44 -8.608 3.082 -3.131 369 HG22 THR 44 1HG2 THR 44 -8.208 4.406 -4.224 370 HG23 THR 44 2HG2 THR 44 -8.627 4.746 -2.546 371 H TYR 45 H TYR 45 -7.324 1.108 -2.582 372 HA TYR 45 HA TYR 45 -4.733 -0.250 -2.447 373 HD1 TYR 45 1HD TYR 45 -3.826 -1.993 -0.406 374 HD2 TYR 45 2HD TYR 45 -7.109 -3.670 -2.528 375 HE1 TYR 45 1HE TYR 45 -2.675 -4.161 -0.459 376 HE2 TYR 45 2HE TYR 45 -5.966 -5.847 -2.589 377 HH TYR 45 HH TYR 45 -2.658 -6.222 -1.520 378 HB2 TYR 45 2HB TYR 45 -6.066 -0.903 -0.452 379 HB3 TYR 45 1HB TYR 45 -7.316 -1.524 -1.525 380 H LYS 46 H LYS 46 -4.364 -1.781 -4.021 381 HA LYS 46 HA LYS 46 -6.389 -1.921 -6.156 382 HB2 LYS 46 2HB LYS 46 -3.384 -2.099 -6.450 383 HB3 LYS 46 1HB LYS 46 -4.562 -2.118 -7.753 384 HG2 LYS 46 2HG LYS 46 -4.956 0.217 -6.149 385 HG3 LYS 46 1HG LYS 46 -3.262 0.099 -6.626 386 HD2 LYS 46 2HD LYS 46 -3.922 -0.127 -8.958 387 HD3 LYS 46 1HD LYS 46 -5.624 -0.050 -8.497 388 HE2 LYS 46 2HE LYS 46 -3.898 2.168 -7.577 389 HE3 LYS 46 1HE LYS 46 -4.209 2.084 -9.311 390 HZ1 LYS 46 3HZ LYS 46 -5.826 3.306 -7.600 391 HZ2 LYS 46 1HZ LYS 46 -6.525 1.766 -7.581 392 HZ3 LYS 46 2HZ LYS 46 -6.368 2.610 -9.035 393 H ASP 47 H ASP 47 -7.097 -3.877 -6.728 394 HA ASP 47 HA ASP 47 -5.934 -6.208 -5.424 395 HB2 ASP 47 2HB ASP 47 -8.535 -5.712 -6.846 396 HB3 ASP 47 1HB ASP 47 -8.008 -7.341 -6.421 397 H GLU 48 H GLU 48 -4.836 -4.770 -7.907 398 HA GLU 48 HA GLU 48 -5.073 -6.752 -9.989 399 HB2 GLU 48 2HB GLU 48 -3.704 -4.130 -9.666 400 HB3 GLU 48 1HB GLU 48 -3.028 -5.247 -10.842 401 HG2 GLU 48 2HG GLU 48 -5.954 -4.773 -10.926 402 HG3 GLU 48 1HG GLU 48 -4.894 -3.476 -11.475 403 H THR 49 H THR 49 -2.837 -5.957 -7.438 404 HA THR 49 HA THR 49 -1.619 -8.500 -7.476 405 HB THR 49 HB THR 49 0.732 -7.185 -7.966 406 HG1 THR 49 1HG THR 49 -0.336 -5.348 -8.744 407 HG21 THR 49 3HG2 THR 49 -0.917 -9.082 -9.402 408 HG22 THR 49 1HG2 THR 49 0.829 -9.042 -9.172 409 HG23 THR 49 2HG2 THR 49 0.091 -8.096 -10.461 410 H LYS 50 H LYS 50 -2.829 -6.712 -5.612 411 HA LYS 50 HA LYS 50 -2.578 -5.947 -3.487 412 HB2 LYS 50 2HB LYS 50 -0.155 -7.721 -3.733 413 HB3 LYS 50 1HB LYS 50 -0.508 -6.844 -2.251 414 HG2 LYS 50 2HG LYS 50 -1.704 -8.621 -1.658 415 HG3 LYS 50 1HG LYS 50 -2.903 -8.066 -2.826 416 HD2 LYS 50 2HD LYS 50 -2.486 -10.344 -3.329 417 HD3 LYS 50 1HD LYS 50 -1.648 -9.403 -4.564 418 HE2 LYS 50 2HE LYS 50 -0.162 -11.125 -3.872 419 HE3 LYS 50 1HE LYS 50 0.432 -9.620 -3.172 420 HZ1 LYS 50 3HZ LYS 50 0.499 -10.866 -1.317 421 HZ2 LYS 50 1HZ LYS 50 -0.655 -11.975 -1.864 422 HZ3 LYS 50 2HZ LYS 50 -1.147 -10.493 -1.216 423 H THR 51 H THR 51 -2.352 -3.795 -4.394 424 HA THR 51 HA THR 51 0.297 -2.677 -3.807 425 HB THR 51 HB THR 51 -1.387 -1.988 -6.223 426 HG1 THR 51 1HG THR 51 1.041 -3.397 -5.902 427 HG21 THR 51 3HG2 THR 51 0.803 -0.776 -6.853 428 HG22 THR 51 1HG2 THR 51 1.092 -0.752 -5.113 429 HG23 THR 51 2HG2 THR 51 -0.348 0.019 -5.779 430 H PHE 52 H PHE 52 0.200 -1.068 -2.406 431 HA PHE 52 HA PHE 52 -2.380 0.128 -1.754 432 HD1 PHE 52 1HD PHE 52 -0.179 -2.339 -0.102 433 HD2 PHE 52 2HD PHE 52 -2.737 0.720 1.382 434 HE1 PHE 52 1HE PHE 52 -1.234 -3.964 1.419 435 HE2 PHE 52 2HE PHE 52 -3.795 -0.897 2.906 436 HZ PHE 52 HZ PHE 52 -3.046 -3.243 2.922 437 HB2 PHE 52 2HB PHE 52 0.316 0.059 -0.432 438 HB3 PHE 52 1HB PHE 52 -0.868 1.278 0.041 439 H THR 53 H THR 53 -2.988 2.046 -2.548 440 HA THR 53 HA THR 53 -0.889 3.887 -3.492 441 HB THR 53 HB THR 53 -2.085 2.935 -5.393 442 HG1 THR 53 1HG THR 53 -1.770 4.873 -6.112 443 HG21 THR 53 3HG2 THR 53 -4.615 4.229 -4.471 444 HG22 THR 53 1HG2 THR 53 -4.239 2.553 -4.068 445 HG23 THR 53 2HG2 THR 53 -4.367 3.047 -5.757 446 H VAL 54 H VAL 54 -0.799 5.678 -2.351 447 HA VAL 54 HA VAL 54 -3.282 6.904 -1.377 448 HB VAL 54 HB VAL 54 -2.351 5.640 0.509 449 HG11 VAL 54 1HG1 VAL 54 -0.172 6.524 1.492 450 HG12 VAL 54 2HG1 VAL 54 0.116 7.244 -0.092 451 HG13 VAL 54 3HG1 VAL 54 -0.051 5.496 0.063 452 HG21 VAL 54 3HG2 VAL 54 -1.767 7.941 1.865 453 HG22 VAL 54 1HG2 VAL 54 -3.392 7.333 1.547 454 HG23 VAL 54 2HG2 VAL 54 -2.680 8.549 0.485 455 H THR 55 H THR 55 -3.279 9.130 -1.411 456 HA THR 55 HA THR 55 -0.762 10.496 -1.998 457 HB THR 55 HB THR 55 -1.529 10.239 -4.193 458 HG1 THR 55 1HG THR 55 -1.904 12.289 -4.800 459 HG21 THR 55 3HG2 THR 55 -3.715 10.361 -4.974 460 HG22 THR 55 1HG2 THR 55 -4.283 11.154 -3.512 461 HG23 THR 55 2HG2 THR 55 -3.832 9.460 -3.464 462 H GLU 56 H GLU 56 -0.792 12.769 -1.574 463 HA GLU 56 HA GLU 56 -2.632 13.460 0.562 464 HB2 GLU 56 2HB GLU 56 -0.192 14.862 -0.542 465 HB3 GLU 56 1HB GLU 56 -1.160 15.478 0.791 466 HG2 GLU 56 2HG GLU 56 0.770 14.380 1.670 467 HG3 GLU 56 1HG GLU 56 -0.656 13.419 2.060 Start of MODEL 13 1 HA THR 1 HA THR 1 4.699 -12.659 -2.117 2 HB THR 1 HB THR 1 2.166 -11.156 -2.692 3 HG1 THR 1 1HG THR 1 1.152 -13.193 -3.003 4 H1 THR 1 1HT THR 1 2.937 -11.584 -0.036 5 H2 THR 1 2HT THR 1 4.326 -12.575 0.131 6 H3 THR 1 3HT THR 1 2.884 -13.222 -0.537 7 HG21 THR 1 3HG2 THR 1 2.327 -12.720 -4.740 8 HG22 THR 1 1HG2 THR 1 4.006 -12.918 -4.241 9 HG23 THR 1 2HG2 THR 1 3.388 -11.316 -4.636 10 H THR 2 H THR 2 5.066 -10.751 -3.699 11 HA THR 2 HA THR 2 6.273 -8.650 -2.220 12 HB THR 2 HB THR 2 7.147 -9.512 -4.381 13 HG1 THR 2 1HG THR 2 7.776 -7.449 -3.697 14 HG21 THR 2 3HG2 THR 2 5.022 -9.728 -5.592 15 HG22 THR 2 1HG2 THR 2 6.216 -8.780 -6.476 16 HG23 THR 2 2HG2 THR 2 4.893 -7.969 -5.639 17 H TYR 3 H TYR 3 5.435 -6.806 -1.532 18 HA TYR 3 HA TYR 3 2.787 -6.018 -2.509 19 HD1 TYR 3 1HD TYR 3 0.900 -4.348 -0.630 20 HD2 TYR 3 2HD TYR 3 2.948 -7.872 0.574 21 HE1 TYR 3 1HE TYR 3 -1.233 -5.340 0.082 22 HE2 TYR 3 2HE TYR 3 0.824 -8.874 1.289 23 HH TYR 3 HH TYR 3 -1.745 -8.460 0.542 24 HB2 TYR 3 2HB TYR 3 4.174 -5.868 0.072 25 HB3 TYR 3 1HB TYR 3 3.339 -4.376 -0.367 26 H LYS 4 H LYS 4 2.412 -4.080 -3.483 27 HA LYS 4 HA LYS 4 4.771 -2.385 -3.970 28 HB2 LYS 4 2HB LYS 4 2.340 -2.669 -5.736 29 HB3 LYS 4 1HB LYS 4 3.805 -1.780 -6.106 30 HG2 LYS 4 2HG LYS 4 5.053 -3.934 -6.019 31 HG3 LYS 4 1HG LYS 4 3.506 -4.762 -5.832 32 HD2 LYS 4 2HD LYS 4 3.673 -2.862 -8.078 33 HD3 LYS 4 1HD LYS 4 4.693 -4.295 -8.214 34 HE2 LYS 4 2HE LYS 4 2.855 -5.747 -8.120 35 HE3 LYS 4 1HE LYS 4 1.789 -4.496 -7.482 36 HZ1 LYS 4 3HZ LYS 4 1.179 -4.683 -9.690 37 HZ2 LYS 4 1HZ LYS 4 2.774 -4.845 -10.236 38 HZ3 LYS 4 2HZ LYS 4 2.209 -3.342 -9.702 39 H LEU 5 H LEU 5 4.701 -0.296 -3.418 40 HA LEU 5 HA LEU 5 2.091 0.880 -2.742 41 HG LEU 5 HG LEU 5 3.809 3.274 -1.231 42 HB2 LEU 5 2HB LEU 5 3.050 0.410 -0.638 43 HB3 LEU 5 1HB LEU 5 4.644 0.949 -1.156 44 HD11 LEU 5 1HD1 LEU 5 1.356 2.306 -1.478 45 HD12 LEU 5 2HD1 LEU 5 1.667 3.894 -0.780 46 HD13 LEU 5 3HD1 LEU 5 1.371 2.510 0.272 47 HD21 LEU 5 3HD2 LEU 5 3.546 3.548 1.232 48 HD22 LEU 5 1HD2 LEU 5 4.929 2.558 0.762 49 HD23 LEU 5 2HD2 LEU 5 3.462 1.791 1.368 50 H ILE 6 H ILE 6 1.748 2.942 -3.397 51 HA ILE 6 HA ILE 6 4.001 4.425 -4.563 52 HB ILE 6 HB ILE 6 2.354 5.202 -6.363 53 HG12 ILE 6 2HG1 ILE 6 1.012 2.557 -5.869 54 HG13 ILE 6 1HG1 ILE 6 0.427 4.017 -5.078 55 HG21 ILE 6 1HG2 ILE 6 4.253 3.245 -6.319 56 HG22 ILE 6 2HG2 ILE 6 3.432 3.830 -7.768 57 HG23 ILE 6 3HG2 ILE 6 2.852 2.378 -6.953 58 HD11 ILE 6 3HD1 ILE 6 0.129 5.054 -7.293 59 HD12 ILE 6 1HD1 ILE 6 -0.846 3.601 -7.073 60 HD13 ILE 6 2HD1 ILE 6 0.628 3.538 -8.040 61 H LEU 7 H LEU 7 4.139 6.334 -3.585 62 HA LEU 7 HA LEU 7 1.682 7.541 -2.523 63 HG LEU 7 HG LEU 7 2.521 6.158 -0.690 64 HB2 LEU 7 2HB LEU 7 4.552 7.984 -1.704 65 HB3 LEU 7 1HB LEU 7 3.168 8.844 -1.038 66 HD11 LEU 7 1HD1 LEU 7 4.715 5.638 0.740 67 HD12 LEU 7 2HD1 LEU 7 5.448 6.570 -0.568 68 HD13 LEU 7 3HD1 LEU 7 4.518 5.117 -0.936 69 HD21 LEU 7 3HD2 LEU 7 2.250 6.810 1.446 70 HD22 LEU 7 1HD2 LEU 7 2.558 8.416 0.792 71 HD23 LEU 7 2HD2 LEU 7 3.864 7.510 1.554 72 H ASN 8 H ASN 8 1.026 9.499 -3.189 73 HA ASN 8 HA ASN 8 2.811 10.990 -5.001 74 HB2 ASN 8 2HB ASN 8 -0.200 10.893 -5.217 75 HB3 ASN 8 1HB ASN 8 0.934 11.597 -6.367 76 HD21 ASN 8 1HD2 ASN 8 -0.070 8.562 -4.884 77 HD22 ASN 8 2HD2 ASN 8 0.362 7.554 -6.230 78 H LEU 9 H LEU 9 3.530 12.585 -3.688 79 HA LEU 9 HA LEU 9 1.635 14.010 -1.986 80 HG LEU 9 HG LEU 9 3.356 12.558 -0.352 81 HB2 LEU 9 2HB LEU 9 4.582 13.744 -2.113 82 HB3 LEU 9 1HB LEU 9 3.954 15.270 -1.523 83 HD11 LEU 9 1HD1 LEU 9 5.159 14.787 0.531 84 HD12 LEU 9 2HD1 LEU 9 5.606 13.128 0.150 85 HD13 LEU 9 3HD1 LEU 9 4.645 13.482 1.586 86 HD21 LEU 9 3HD2 LEU 9 1.743 13.489 0.870 87 HD22 LEU 9 1HD2 LEU 9 1.824 14.865 -0.227 88 HD23 LEU 9 2HD2 LEU 9 2.752 14.877 1.274 89 H LYS 10 H LYS 10 2.250 16.499 -1.869 90 HA LYS 10 HA LYS 10 1.567 17.545 -4.466 91 HB2 LYS 10 2HB LYS 10 1.734 18.621 -1.697 92 HB3 LYS 10 1HB LYS 10 1.860 19.766 -3.021 93 HG2 LYS 10 2HG LYS 10 -0.351 17.829 -3.227 94 HG3 LYS 10 1HG LYS 10 -0.465 18.993 -1.900 95 HD2 LYS 10 2HD LYS 10 0.193 20.699 -3.814 96 HD3 LYS 10 1HD LYS 10 -0.516 19.452 -4.840 97 HE2 LYS 10 2HE LYS 10 -2.033 20.274 -2.424 98 HE3 LYS 10 1HE LYS 10 -1.950 21.419 -3.756 99 HZ1 LYS 10 3HZ LYS 10 -3.317 18.868 -3.601 100 HZ2 LYS 10 1HZ LYS 10 -2.565 19.209 -5.079 101 HZ3 LYS 10 2HZ LYS 10 -3.734 20.264 -4.452 102 H GLN 11 H GLN 11 4.414 17.291 -2.493 103 HA GLN 11 HA GLN 11 5.899 19.244 -4.047 104 HB2 GLN 11 2HB GLN 11 6.993 17.327 -1.990 105 HB3 GLN 11 1HB GLN 11 7.711 18.830 -2.547 106 HG2 GLN 11 2HG GLN 11 5.099 18.697 -1.071 107 HG3 GLN 11 1HG GLN 11 6.657 18.901 -0.276 108 HE21 GLN 11 1HE2 GLN 11 5.826 20.897 0.520 109 HE22 GLN 11 2HE2 GLN 11 5.835 22.305 -0.486 110 H ALA 12 H ALA 12 6.012 15.724 -3.480 111 HA ALA 12 HA ALA 12 6.910 15.292 -6.190 112 HB1 ALA 12 1HB ALA 12 9.026 14.455 -5.797 113 HB2 ALA 12 2HB ALA 12 8.710 14.168 -4.086 114 HB3 ALA 12 3HB ALA 12 8.955 15.812 -4.673 115 H LYS 13 H LYS 13 6.707 13.140 -6.870 116 HA LYS 13 HA LYS 13 5.152 11.451 -5.027 117 HB2 LYS 13 2HB LYS 13 5.205 11.302 -8.042 118 HB3 LYS 13 1HB LYS 13 4.115 10.455 -6.964 119 HG2 LYS 13 2HG LYS 13 2.784 12.256 -6.672 120 HG3 LYS 13 1HG LYS 13 4.118 13.396 -6.766 121 HD2 LYS 13 2HD LYS 13 3.572 11.964 -9.264 122 HD3 LYS 13 1HD LYS 13 2.255 13.001 -8.717 123 HE2 LYS 13 2HE LYS 13 4.918 14.220 -8.546 124 HE3 LYS 13 1HE LYS 13 4.386 13.834 -10.182 125 HZ1 LYS 13 3HZ LYS 13 3.320 15.781 -8.293 126 HZ2 LYS 13 1HZ LYS 13 2.196 14.981 -9.269 127 HZ3 LYS 13 2HZ LYS 13 3.449 15.865 -9.976 128 H GLU 14 H GLU 14 6.060 9.643 -4.320 129 HA GLU 14 HA GLU 14 8.296 8.497 -5.863 130 HB2 GLU 14 2HB GLU 14 7.959 8.249 -2.877 131 HB3 GLU 14 1HB GLU 14 9.383 7.882 -3.838 132 HG2 GLU 14 2HG GLU 14 8.272 10.657 -3.668 133 HG3 GLU 14 1HG GLU 14 9.382 10.020 -2.456 134 H GLU 15 H GLU 15 8.418 6.280 -6.079 135 HA GLU 15 HA GLU 15 6.250 4.670 -4.935 136 HB2 GLU 15 2HB GLU 15 6.002 3.541 -7.189 137 HB3 GLU 15 1HB GLU 15 5.364 5.178 -7.080 138 HG2 GLU 15 2HG GLU 15 8.146 5.037 -7.966 139 HG3 GLU 15 1HG GLU 15 6.999 4.246 -9.046 140 H ALA 16 H ALA 16 6.789 2.555 -4.507 141 HA ALA 16 HA ALA 16 9.258 1.432 -5.512 142 HB1 ALA 16 1HB ALA 16 10.454 1.286 -3.529 143 HB2 ALA 16 2HB ALA 16 9.035 1.606 -2.534 144 HB3 ALA 16 3HB ALA 16 9.775 2.912 -3.463 145 H ILE 17 H ILE 17 9.614 -0.804 -4.662 146 HA ILE 17 HA ILE 17 7.054 -2.099 -3.971 147 HB ILE 17 HB ILE 17 9.190 -3.311 -5.728 148 HG12 ILE 17 2HG1 ILE 17 8.228 -1.435 -6.919 149 HG13 ILE 17 1HG1 ILE 17 7.584 -2.927 -7.595 150 HG21 ILE 17 1HG2 ILE 17 8.060 -5.120 -4.944 151 HG22 ILE 17 2HG2 ILE 17 7.004 -4.704 -6.294 152 HG23 ILE 17 3HG2 ILE 17 6.576 -4.214 -4.656 153 HD11 ILE 17 3HD1 ILE 17 5.540 -2.151 -7.284 154 HD12 ILE 17 1HD1 ILE 17 6.187 -0.695 -6.531 155 HD13 ILE 17 2HD1 ILE 17 5.827 -2.111 -5.545 156 H LYS 18 H LYS 18 7.107 -3.687 -2.429 157 HA LYS 18 HA LYS 18 9.734 -4.444 -1.347 158 HB2 LYS 18 2HB LYS 18 7.499 -4.066 0.580 159 HB3 LYS 18 1HB LYS 18 9.228 -3.860 0.815 160 HG2 LYS 18 2HG LYS 18 8.444 -1.864 -1.001 161 HG3 LYS 18 1HG LYS 18 7.221 -1.898 0.265 162 HD2 LYS 18 2HD LYS 18 8.674 -0.529 1.314 163 HD3 LYS 18 1HD LYS 18 9.445 -2.051 1.764 164 HE2 LYS 18 2HE LYS 18 10.208 -0.786 -0.817 165 HE3 LYS 18 1HE LYS 18 10.814 -0.068 0.672 166 HZ1 LYS 18 3HZ LYS 18 11.693 -2.273 1.277 167 HZ2 LYS 18 1HZ LYS 18 12.387 -1.658 -0.138 168 HZ3 LYS 18 2HZ LYS 18 11.207 -2.869 -0.228 169 H GLU 19 H GLU 19 9.496 -6.304 0.257 170 HA GLU 19 HA GLU 19 7.665 -8.282 -0.913 171 HB2 GLU 19 2HB GLU 19 9.168 -9.976 -0.002 172 HB3 GLU 19 1HB GLU 19 10.059 -8.837 -1.001 173 HG2 GLU 19 2HG GLU 19 10.320 -7.694 1.439 174 HG3 GLU 19 1HG GLU 19 10.269 -9.403 1.865 175 H LEU 20 H LEU 20 6.177 -9.347 0.305 176 HA LEU 20 HA LEU 20 6.208 -9.069 3.207 177 HG LEU 20 HG LEU 20 3.898 -6.306 3.456 178 HB2 LEU 20 2HB LEU 20 4.601 -7.427 1.527 179 HB3 LEU 20 1HB LEU 20 3.532 -8.551 2.349 180 HD11 LEU 20 1HD1 LEU 20 4.746 -8.367 5.395 181 HD12 LEU 20 2HD1 LEU 20 3.260 -8.670 4.496 182 HD13 LEU 20 3HD1 LEU 20 3.419 -7.210 5.465 183 HD21 LEU 20 3HD2 LEU 20 6.537 -7.507 4.269 184 HD22 LEU 20 1HD2 LEU 20 5.893 -5.927 4.706 185 HD23 LEU 20 2HD2 LEU 20 6.358 -6.257 3.038 186 H VAL 21 H VAL 21 4.222 -10.287 4.147 187 HA VAL 21 HA VAL 21 3.934 -12.791 2.620 188 HB VAL 21 HB VAL 21 3.582 -12.455 5.596 189 HG11 VAL 21 1HG1 VAL 21 3.155 -14.662 5.701 190 HG12 VAL 21 2HG1 VAL 21 4.316 -15.051 4.427 191 HG13 VAL 21 3HG1 VAL 21 2.708 -14.462 4.006 192 HG21 VAL 21 3HG2 VAL 21 5.814 -12.104 5.570 193 HG22 VAL 21 1HG2 VAL 21 6.014 -12.811 3.968 194 HG23 VAL 21 2HG2 VAL 21 5.866 -13.856 5.381 195 H ASP 22 H ASP 22 2.217 -10.327 4.429 196 HA ASP 22 HA ASP 22 -0.280 -11.205 3.209 197 HB2 ASP 22 2HB ASP 22 0.360 -11.585 6.008 198 HB3 ASP 22 1HB ASP 22 -1.034 -10.519 5.825 199 H ALA 23 H ALA 23 -2.085 -9.538 3.998 200 HA ALA 23 HA ALA 23 -1.046 -6.951 3.233 201 HB1 ALA 23 1HB ALA 23 -3.307 -8.126 2.538 202 HB2 ALA 23 2HB ALA 23 -3.171 -6.373 2.664 203 HB3 ALA 23 3HB ALA 23 -3.899 -7.298 3.978 204 H ALA 24 H ALA 24 -2.784 -8.314 6.027 205 HA ALA 24 HA ALA 24 -3.106 -6.084 7.585 206 HB1 ALA 24 1HB ALA 24 -3.547 -7.513 9.282 207 HB2 ALA 24 2HB ALA 24 -2.059 -8.426 9.042 208 HB3 ALA 24 3HB ALA 24 -3.455 -8.729 8.009 209 H THR 25 H THR 25 -0.216 -8.134 7.372 210 HA THR 25 HA THR 25 1.348 -6.460 9.065 211 HB THR 25 HB THR 25 2.023 -8.697 7.155 212 HG1 THR 25 1HG THR 25 2.226 -8.403 9.967 213 HG21 THR 25 3HG2 THR 25 4.062 -7.389 8.922 214 HG22 THR 25 1HG2 THR 25 3.886 -6.987 7.211 215 HG23 THR 25 2HG2 THR 25 4.303 -8.633 7.695 216 H ALA 26 H ALA 26 0.919 -6.811 5.573 217 HA ALA 26 HA ALA 26 2.924 -5.153 4.664 218 HB1 ALA 26 1HB ALA 26 0.104 -5.421 3.594 219 HB2 ALA 26 2HB ALA 26 1.502 -6.393 3.131 220 HB3 ALA 26 3HB ALA 26 1.450 -4.678 2.726 221 H GLU 27 H GLU 27 -0.394 -4.273 5.509 222 HA GLU 27 HA GLU 27 -0.283 -1.534 5.254 223 HB2 GLU 27 2HB GLU 27 -1.796 -3.358 7.110 224 HB3 GLU 27 1HB GLU 27 -2.007 -1.609 7.188 225 HG2 GLU 27 2HG GLU 27 -2.826 -1.538 4.947 226 HG3 GLU 27 1HG GLU 27 -2.416 -3.231 4.689 227 H LYS 28 H LYS 28 0.883 -3.604 7.838 228 HA LYS 28 HA LYS 28 1.396 -1.534 9.717 229 HB2 LYS 28 2HB LYS 28 1.319 -4.174 9.969 230 HB3 LYS 28 1HB LYS 28 3.047 -4.024 9.683 231 HG2 LYS 28 2HG LYS 28 2.518 -2.088 11.586 232 HG3 LYS 28 1HG LYS 28 1.503 -3.451 12.062 233 HD2 LYS 28 2HD LYS 28 4.469 -3.565 11.513 234 HD3 LYS 28 1HD LYS 28 3.717 -3.564 13.110 235 HE2 LYS 28 2HE LYS 28 2.553 -5.613 11.464 236 HE3 LYS 28 1HE LYS 28 4.308 -5.779 11.491 237 HZ1 LYS 28 3HZ LYS 28 2.380 -6.180 13.613 238 HZ2 LYS 28 1HZ LYS 28 3.770 -5.334 14.075 239 HZ3 LYS 28 2HZ LYS 28 3.907 -6.873 13.390 240 H TYR 29 H TYR 29 3.459 -3.292 7.433 241 HA TYR 29 HA TYR 29 5.779 -1.722 7.958 242 HD1 TYR 29 1HD TYR 29 6.238 -1.601 4.255 243 HD2 TYR 29 2HD TYR 29 8.265 -3.998 7.130 244 HE1 TYR 29 1HE TYR 29 8.382 -1.011 3.224 245 HE2 TYR 29 2HE TYR 29 10.421 -3.415 6.101 246 HH TYR 29 HH TYR 29 10.867 -2.374 3.225 247 HB2 TYR 29 2HB TYR 29 5.938 -4.014 7.084 248 HB3 TYR 29 1HB TYR 29 5.105 -3.514 5.614 249 H PHE 30 H PHE 30 3.748 -1.985 5.051 250 HA PHE 30 HA PHE 30 4.730 0.062 3.563 251 HD1 PHE 30 2HD PHE 30 5.123 -0.234 2.002 252 HD2 PHE 30 1HD PHE 30 1.248 -1.902 1.413 253 HE1 PHE 30 2HE PHE 30 5.791 -0.988 -0.234 254 HE2 PHE 30 1HE PHE 30 1.919 -2.657 -0.827 255 HZ PHE 30 HZ PHE 30 4.193 -2.204 -1.649 256 HB2 PHE 30 2HB PHE 30 2.214 -1.398 3.719 257 HB3 PHE 30 1HB PHE 30 1.984 0.240 3.122 258 H LYS 31 H LYS 31 2.073 0.391 5.923 259 HA LYS 31 HA LYS 31 1.763 3.162 5.633 260 HB2 LYS 31 2HB LYS 31 0.198 1.554 6.816 261 HB3 LYS 31 1HB LYS 31 1.299 1.631 8.192 262 HG2 LYS 31 2HG LYS 31 0.605 4.275 7.290 263 HG3 LYS 31 1HG LYS 31 -0.841 3.327 7.633 264 HD2 LYS 31 2HD LYS 31 0.464 2.678 9.806 265 HD3 LYS 31 1HD LYS 31 1.367 4.154 9.464 266 HE2 LYS 31 2HE LYS 31 -0.274 5.116 10.675 267 HE3 LYS 31 1HE LYS 31 -1.147 5.057 9.144 268 HZ1 LYS 31 3HZ LYS 31 -2.625 4.136 10.642 269 HZ2 LYS 31 1HZ LYS 31 -1.427 3.304 11.497 270 HZ3 LYS 31 2HZ LYS 31 -1.903 2.763 9.969 271 H LEU 32 H LEU 32 4.023 1.254 7.495 272 HA LEU 32 HA LEU 32 4.960 3.329 9.180 273 HG LEU 32 HG LEU 32 5.769 2.470 10.911 274 HB2 LEU 32 2HB LEU 32 5.533 0.574 8.711 275 HB3 LEU 32 1HB LEU 32 7.044 1.462 8.672 276 HD11 LEU 32 1HD1 LEU 32 5.236 0.380 12.191 277 HD12 LEU 32 2HD1 LEU 32 5.243 -0.478 10.652 278 HD13 LEU 32 3HD1 LEU 32 4.074 0.810 10.936 279 HD21 LEU 32 3HD2 LEU 32 7.687 0.160 10.976 280 HD22 LEU 32 1HD2 LEU 32 7.547 1.507 12.105 281 HD23 LEU 32 2HD2 LEU 32 8.183 1.777 10.482 282 H TYR 33 H TYR 33 5.717 2.339 5.918 283 HA TYR 33 HA TYR 33 8.127 3.877 5.708 284 HD1 TYR 33 1HD TYR 33 6.049 4.479 2.251 285 HD2 TYR 33 2HD TYR 33 9.877 2.814 3.080 286 HE1 TYR 33 1HE TYR 33 6.975 5.650 0.300 287 HE2 TYR 33 2HE TYR 33 10.813 3.981 1.128 288 HH TYR 33 HH TYR 33 9.046 5.219 -1.296 289 HB2 TYR 33 2HB TYR 33 7.994 2.025 4.248 290 HB3 TYR 33 1HB TYR 33 6.362 2.443 3.729 291 H ALA 34 H ALA 34 4.820 4.248 4.458 292 HA ALA 34 HA ALA 34 5.213 6.758 3.256 293 HB1 ALA 34 1HB ALA 34 2.674 6.907 3.478 294 HB2 ALA 34 2HB ALA 34 2.767 5.306 4.211 295 HB3 ALA 34 3HB ALA 34 3.332 5.555 2.560 296 H ASN 35 H ASN 35 4.676 5.844 6.558 297 HA ASN 35 HA ASN 35 3.801 8.444 7.419 298 HB2 ASN 35 2HB ASN 35 4.276 5.816 8.663 299 HB3 ASN 35 1HB ASN 35 4.604 7.196 9.707 300 HD21 ASN 35 1HD2 ASN 35 2.916 8.662 10.161 301 HD22 ASN 35 2HD2 ASN 35 1.262 8.180 10.021 302 H ALA 36 H ALA 36 6.823 6.603 7.532 303 HA ALA 36 HA ALA 36 8.243 8.691 8.907 304 HB1 ALA 36 1HB ALA 36 10.163 7.031 7.845 305 HB2 ALA 36 2HB ALA 36 8.777 5.962 8.051 306 HB3 ALA 36 3HB ALA 36 9.410 6.860 9.430 307 H LYS 37 H LYS 37 8.516 7.282 5.639 308 HA LYS 37 HA LYS 37 10.328 9.179 4.651 309 HB2 LYS 37 2HB LYS 37 8.399 7.284 3.350 310 HB3 LYS 37 1HB LYS 37 9.310 8.430 2.377 311 HG2 LYS 37 2HG LYS 37 10.398 6.252 2.458 312 HG3 LYS 37 1HG LYS 37 11.398 7.500 3.200 313 HD2 LYS 37 2HD LYS 37 10.798 6.762 5.398 314 HD3 LYS 37 1HD LYS 37 9.592 5.648 4.751 315 HE2 LYS 37 2HE LYS 37 11.131 4.087 4.222 316 HE3 LYS 37 1HE LYS 37 12.325 5.284 3.723 317 HZ1 LYS 37 3HZ LYS 37 12.357 5.733 6.303 318 HZ2 LYS 37 1HZ LYS 37 13.309 4.521 5.603 319 HZ3 LYS 37 2HZ LYS 37 11.851 4.120 6.361 320 H THR 38 H THR 38 6.908 8.916 3.669 321 HA THR 38 HA THR 38 6.896 11.836 3.313 322 HB THR 38 HB THR 38 5.231 11.556 1.629 323 HG1 THR 38 1HG THR 38 4.261 9.555 1.234 324 HG21 THR 38 3HG2 THR 38 6.363 9.292 0.492 325 HG22 THR 38 1HG2 THR 38 7.657 10.030 1.434 326 HG23 THR 38 2HG2 THR 38 6.814 10.972 0.204 327 H VAL 39 H VAL 39 3.974 11.925 3.086 328 HA VAL 39 HA VAL 39 3.329 11.690 5.949 329 HB VAL 39 HB VAL 39 1.528 13.368 5.449 330 HG11 VAL 39 1HG1 VAL 39 4.443 13.962 5.194 331 HG12 VAL 39 2HG1 VAL 39 3.338 14.310 6.522 332 HG13 VAL 39 3HG1 VAL 39 3.268 15.267 5.042 333 HG21 VAL 39 3HG2 VAL 39 1.672 14.660 3.395 334 HG22 VAL 39 1HG2 VAL 39 1.392 12.958 3.026 335 HG23 VAL 39 2HG2 VAL 39 3.002 13.650 2.829 336 H GLU 40 H GLU 40 0.837 11.547 6.274 337 HA GLU 40 HA GLU 40 -0.093 9.296 4.629 338 HB2 GLU 40 2HB GLU 40 -1.480 8.655 6.525 339 HB3 GLU 40 1HB GLU 40 0.197 8.823 7.028 340 HG2 GLU 40 2HG GLU 40 -0.444 11.179 7.768 341 HG3 GLU 40 1HG GLU 40 -2.115 10.643 7.591 342 H GLY 41 H GLY 41 -1.838 9.499 3.387 343 HA2 GLY 41 2HA GLY 41 -3.808 11.586 4.004 344 HA3 GLY 41 1HA GLY 41 -3.036 11.607 2.417 345 H VAL 42 H VAL 42 -4.824 11.160 1.182 346 HA VAL 42 HA VAL 42 -6.770 9.214 1.790 347 HB VAL 42 HB VAL 42 -7.381 9.322 -0.610 348 HG11 VAL 42 1HG1 VAL 42 -8.455 10.955 0.640 349 HG12 VAL 42 2HG1 VAL 42 -7.688 11.898 -0.639 350 HG13 VAL 42 3HG1 VAL 42 -6.958 11.830 0.968 351 HG21 VAL 42 3HG2 VAL 42 -5.026 11.187 -0.870 352 HG22 VAL 42 1HG2 VAL 42 -6.184 10.770 -2.134 353 HG23 VAL 42 2HG2 VAL 42 -5.087 9.537 -1.495 354 H TRP 43 H TRP 43 -6.865 7.117 1.530 355 HA TRP 43 HA TRP 43 -4.544 5.759 0.357 356 HD1 TRP 43 HD TRP 43 -4.913 6.831 4.063 357 HE1 TRP 43 1HE TRP 43 -2.557 6.604 5.076 358 HE3 TRP 43 3HE TRP 43 -3.275 2.810 1.387 359 HZ2 TRP 43 2HZ TRP 43 -0.298 4.932 4.777 360 HZ3 TRP 43 3HZ TRP 43 -1.002 1.952 1.807 361 HH2 TRP 43 HH TRP 43 0.453 2.994 3.468 362 HB2 TRP 43 2HB TRP 43 -6.394 5.142 2.616 363 HB3 TRP 43 1HB TRP 43 -5.565 3.817 1.798 364 H THR 44 H THR 44 -4.830 3.975 -0.982 365 HA THR 44 HA THR 44 -7.480 3.126 -1.760 366 HB THR 44 HB THR 44 -7.084 3.607 -4.179 367 HG1 THR 44 1HG THR 44 -5.014 5.294 -3.235 368 HG21 THR 44 3HG2 THR 44 -6.968 6.181 -2.654 369 HG22 THR 44 1HG2 THR 44 -8.404 5.159 -2.677 370 HG23 THR 44 2HG2 THR 44 -7.780 5.837 -4.180 371 H TYR 45 H TYR 45 -7.234 0.999 -1.637 372 HA TYR 45 HA TYR 45 -4.681 -0.232 -2.275 373 HD1 TYR 45 1HD TYR 45 -3.557 -1.883 -0.710 374 HD2 TYR 45 2HD TYR 45 -7.224 -3.743 -1.800 375 HE1 TYR 45 1HE TYR 45 -2.420 -4.061 -0.796 376 HE2 TYR 45 2HE TYR 45 -6.099 -5.925 -1.890 377 HH TYR 45 HH TYR 45 -2.613 -6.231 -1.278 378 HB2 TYR 45 2HB TYR 45 -5.939 -0.873 -0.235 379 HB3 TYR 45 1HB TYR 45 -7.231 -1.495 -1.253 380 H LYS 46 H LYS 46 -4.477 -2.031 -3.694 381 HA LYS 46 HA LYS 46 -6.521 -2.135 -5.813 382 HB2 LYS 46 2HB LYS 46 -4.183 -0.980 -6.255 383 HB3 LYS 46 1HB LYS 46 -3.646 -2.644 -6.445 384 HG2 LYS 46 2HG LYS 46 -4.286 -2.478 -8.563 385 HG3 LYS 46 1HG LYS 46 -5.945 -2.532 -7.966 386 HD2 LYS 46 2HD LYS 46 -5.716 0.007 -7.671 387 HD3 LYS 46 1HD LYS 46 -4.283 -0.136 -8.690 388 HE2 LYS 46 2HE LYS 46 -5.573 -0.998 -10.505 389 HE3 LYS 46 1HE LYS 46 -7.001 -1.175 -9.480 390 HZ1 LYS 46 3HZ LYS 46 -6.576 1.410 -9.205 391 HZ2 LYS 46 1HZ LYS 46 -7.510 0.780 -10.465 392 HZ3 LYS 46 2HZ LYS 46 -5.898 1.216 -10.736 393 H ASP 47 H ASP 47 -7.274 -4.101 -6.263 394 HA ASP 47 HA ASP 47 -5.998 -6.397 -4.974 395 HB2 ASP 47 2HB ASP 47 -8.247 -7.509 -5.864 396 HB3 ASP 47 1HB ASP 47 -8.229 -6.535 -4.396 397 H GLU 48 H GLU 48 -4.958 -5.166 -7.437 398 HA GLU 48 HA GLU 48 -5.518 -7.109 -9.522 399 HB2 GLU 48 2HB GLU 48 -4.788 -4.480 -9.595 400 HB3 GLU 48 1HB GLU 48 -3.241 -5.269 -9.877 401 HG2 GLU 48 2HG GLU 48 -3.979 -6.291 -11.834 402 HG3 GLU 48 1HG GLU 48 -5.677 -6.004 -11.450 403 H THR 49 H THR 49 -2.997 -6.334 -7.225 404 HA THR 49 HA THR 49 -1.927 -8.945 -7.243 405 HB THR 49 HB THR 49 0.432 -7.929 -8.022 406 HG1 THR 49 1HG THR 49 -1.416 -6.629 -9.723 407 HG21 THR 49 3HG2 THR 49 -1.165 -9.825 -9.023 408 HG22 THR 49 1HG2 THR 49 0.321 -9.281 -9.805 409 HG23 THR 49 2HG2 THR 49 -1.238 -8.642 -10.328 410 H LYS 50 H LYS 50 -2.863 -7.129 -5.323 411 HA LYS 50 HA LYS 50 -2.376 -6.336 -3.253 412 HB2 LYS 50 2HB LYS 50 -0.006 -8.090 -3.800 413 HB3 LYS 50 1HB LYS 50 -0.037 -7.091 -2.352 414 HG2 LYS 50 2HG LYS 50 -1.997 -8.186 -1.549 415 HG3 LYS 50 1HG LYS 50 -2.203 -9.051 -3.072 416 HD2 LYS 50 2HD LYS 50 0.094 -10.062 -2.615 417 HD3 LYS 50 1HD LYS 50 -0.087 -9.436 -0.974 418 HE2 LYS 50 2HE LYS 50 -1.936 -10.806 -0.535 419 HE3 LYS 50 1HE LYS 50 -2.200 -11.147 -2.247 420 HZ1 LYS 50 3HZ LYS 50 0.370 -11.970 -1.167 421 HZ2 LYS 50 1HZ LYS 50 -0.660 -12.769 -2.249 422 HZ3 LYS 50 2HZ LYS 50 -0.974 -12.821 -0.587 423 H THR 51 H THR 51 -2.372 -4.202 -4.227 424 HA THR 51 HA THR 51 0.260 -2.936 -3.976 425 HB THR 51 HB THR 51 -1.665 -2.381 -6.239 426 HG1 THR 51 1HG THR 51 -0.438 -3.621 -7.453 427 HG21 THR 51 3HG2 THR 51 -0.586 -0.416 -6.255 428 HG22 THR 51 1HG2 THR 51 0.684 -1.353 -7.041 429 HG23 THR 51 2HG2 THR 51 0.771 -1.028 -5.309 430 H PHE 52 H PHE 52 0.214 -1.227 -2.689 431 HA PHE 52 HA PHE 52 -2.376 -0.077 -1.941 432 HD1 PHE 52 2HD PHE 52 -0.539 -2.568 -0.243 433 HD2 PHE 52 1HD PHE 52 -2.523 0.890 1.246 434 HE1 PHE 52 2HE PHE 52 -1.739 -3.963 1.392 435 HE2 PHE 52 1HE PHE 52 -3.722 -0.497 2.887 436 HZ PHE 52 HZ PHE 52 -3.333 -2.927 2.958 437 HB2 PHE 52 2HB PHE 52 0.309 -0.249 -0.648 438 HB3 PHE 52 1HB PHE 52 -0.720 1.126 -0.238 439 H THR 53 H THR 53 -2.776 2.153 -2.055 440 HA THR 53 HA THR 53 -0.770 3.832 -3.351 441 HB THR 53 HB THR 53 -3.571 3.484 -4.429 442 HG1 THR 53 1HG THR 53 -2.510 1.845 -5.285 443 HG21 THR 53 3HG2 THR 53 -3.018 5.720 -4.859 444 HG22 THR 53 1HG2 THR 53 -2.638 4.847 -6.343 445 HG23 THR 53 2HG2 THR 53 -1.344 5.320 -5.240 446 H VAL 54 H VAL 54 -0.558 5.449 -1.944 447 HA VAL 54 HA VAL 54 -3.011 6.749 -0.958 448 HB VAL 54 HB VAL 54 -1.990 5.474 0.872 449 HG11 VAL 54 1HG1 VAL 54 0.194 5.703 1.593 450 HG12 VAL 54 2HG1 VAL 54 0.402 7.263 0.800 451 HG13 VAL 54 3HG1 VAL 54 0.365 5.785 -0.159 452 HG21 VAL 54 3HG2 VAL 54 -1.503 7.540 2.387 453 HG22 VAL 54 1HG2 VAL 54 -3.116 7.305 1.718 454 HG23 VAL 54 2HG2 VAL 54 -2.012 8.461 0.974 455 H THR 55 H THR 55 -3.020 8.966 -0.951 456 HA THR 55 HA THR 55 -0.550 10.367 -1.649 457 HB THR 55 HB THR 55 -1.391 10.175 -3.808 458 HG1 THR 55 1HG THR 55 -2.054 12.222 -4.341 459 HG21 THR 55 3HG2 THR 55 -3.562 10.048 -4.499 460 HG22 THR 55 1HG2 THR 55 -4.161 10.986 -3.137 461 HG23 THR 55 2HG2 THR 55 -3.673 9.316 -2.901 462 H GLU 56 H GLU 56 -0.943 12.816 -1.599 463 HA GLU 56 HA GLU 56 -2.877 13.474 0.520 464 HB2 GLU 56 2HB GLU 56 -0.239 13.353 1.008 465 HB3 GLU 56 1HB GLU 56 -0.336 15.003 0.421 466 HG2 GLU 56 2HG GLU 56 -2.153 13.990 2.577 467 HG3 GLU 56 1HG GLU 56 -0.537 14.608 2.929 Start of MODEL 14 1 HA THR 1 HA THR 1 4.412 -12.607 -1.531 2 HB THR 1 HB THR 1 2.190 -11.212 -2.914 3 HG1 THR 1 1HG THR 1 0.767 -12.886 -2.650 4 H1 THR 1 1HT THR 1 2.033 -11.553 -0.198 5 H2 THR 1 2HT THR 1 3.571 -11.521 0.562 6 H3 THR 1 3HT THR 1 2.880 -13.017 0.078 7 HG21 THR 1 3HG2 THR 1 2.851 -13.943 -3.680 8 HG22 THR 1 1HG2 THR 1 4.221 -12.834 -3.734 9 HG23 THR 1 2HG2 THR 1 2.758 -12.476 -4.653 10 H THR 2 H THR 2 4.540 -10.846 -3.592 11 HA THR 2 HA THR 2 5.986 -8.683 -2.456 12 HB THR 2 HB THR 2 5.080 -9.078 -5.315 13 HG1 THR 2 1HG THR 2 6.406 -10.777 -4.358 14 HG21 THR 2 3HG2 THR 2 6.833 -7.640 -5.986 15 HG22 THR 2 1HG2 THR 2 7.454 -7.520 -4.339 16 HG23 THR 2 2HG2 THR 2 5.906 -6.787 -4.753 17 H TYR 3 H TYR 3 5.156 -6.898 -1.622 18 HA TYR 3 HA TYR 3 2.516 -5.996 -2.522 19 HD1 TYR 3 1HD TYR 3 0.642 -4.498 -0.620 20 HD2 TYR 3 2HD TYR 3 2.811 -7.953 0.578 21 HE1 TYR 3 1HE TYR 3 -1.457 -5.558 0.102 22 HE2 TYR 3 2HE TYR 3 0.721 -9.023 1.304 23 HH TYR 3 HH TYR 3 -1.670 -8.873 0.870 24 HB2 TYR 3 2HB TYR 3 3.967 -5.928 0.041 25 HB3 TYR 3 1HB TYR 3 3.087 -4.450 -0.346 26 H LYS 4 H LYS 4 2.208 -4.056 -3.481 27 HA LYS 4 HA LYS 4 4.608 -2.404 -3.921 28 HB2 LYS 4 2HB LYS 4 3.279 -3.626 -5.857 29 HB3 LYS 4 1HB LYS 4 2.237 -2.219 -5.719 30 HG2 LYS 4 2HG LYS 4 5.157 -1.752 -5.917 31 HG3 LYS 4 1HG LYS 4 4.304 -2.286 -7.364 32 HD2 LYS 4 2HD LYS 4 2.625 -0.362 -6.527 33 HD3 LYS 4 1HD LYS 4 4.146 0.275 -5.900 34 HE2 LYS 4 2HE LYS 4 3.666 -0.564 -8.756 35 HE3 LYS 4 1HE LYS 4 3.612 1.098 -8.170 36 HZ1 LYS 4 3HZ LYS 4 5.744 0.853 -9.022 37 HZ2 LYS 4 1HZ LYS 4 5.944 -0.702 -8.382 38 HZ3 LYS 4 2HZ LYS 4 5.971 0.645 -7.358 39 H LEU 5 H LEU 5 4.567 -0.276 -3.455 40 HA LEU 5 HA LEU 5 2.001 0.949 -2.722 41 HG LEU 5 HG LEU 5 3.522 3.272 -1.138 42 HB2 LEU 5 2HB LEU 5 2.988 0.346 -0.627 43 HB3 LEU 5 1HB LEU 5 4.550 0.991 -1.113 44 HD11 LEU 5 1HD1 LEU 5 1.393 3.542 0.109 45 HD12 LEU 5 2HD1 LEU 5 1.192 1.792 0.064 46 HD13 LEU 5 3HD1 LEU 5 1.207 2.714 -1.438 47 HD21 LEU 5 3HD2 LEU 5 3.972 3.605 1.076 48 HD22 LEU 5 1HD2 LEU 5 4.682 2.004 0.867 49 HD23 LEU 5 2HD2 LEU 5 3.080 2.170 1.586 50 H ILE 6 H ILE 6 1.739 3.021 -3.373 51 HA ILE 6 HA ILE 6 4.073 4.441 -4.457 52 HB ILE 6 HB ILE 6 2.540 5.284 -6.303 53 HG12 ILE 6 2HG1 ILE 6 0.965 2.823 -5.513 54 HG13 ILE 6 1HG1 ILE 6 0.429 4.485 -5.300 55 HG21 ILE 6 1HG2 ILE 6 4.125 2.934 -6.095 56 HG22 ILE 6 2HG2 ILE 6 3.822 3.939 -7.513 57 HG23 ILE 6 3HG2 ILE 6 2.752 2.584 -7.147 58 HD11 ILE 6 3HD1 ILE 6 0.711 2.896 -7.804 59 HD12 ILE 6 1HD1 ILE 6 0.783 4.657 -7.859 60 HD13 ILE 6 2HD1 ILE 6 -0.653 3.853 -7.226 61 H LEU 7 H LEU 7 4.248 6.366 -3.533 62 HA LEU 7 HA LEU 7 1.815 7.643 -2.491 63 HG LEU 7 HG LEU 7 2.453 6.374 -0.569 64 HB2 LEU 7 2HB LEU 7 4.686 7.930 -1.622 65 HB3 LEU 7 1HB LEU 7 3.376 8.946 -1.032 66 HD11 LEU 7 1HD1 LEU 7 4.294 5.080 -0.733 67 HD12 LEU 7 2HD1 LEU 7 4.595 5.686 0.895 68 HD13 LEU 7 3HD1 LEU 7 5.400 6.430 -0.487 69 HD21 LEU 7 3HD2 LEU 7 2.214 7.176 1.511 70 HD22 LEU 7 1HD2 LEU 7 2.817 8.687 0.829 71 HD23 LEU 7 2HD2 LEU 7 3.924 7.591 1.654 72 H ASN 8 H ASN 8 1.174 9.525 -3.319 73 HA ASN 8 HA ASN 8 3.043 10.939 -5.105 74 HB2 ASN 8 2HB ASN 8 0.042 10.639 -5.255 75 HB3 ASN 8 1HB ASN 8 0.930 11.822 -6.206 76 HD21 ASN 8 1HD2 ASN 8 0.959 8.365 -5.426 77 HD22 ASN 8 2HD2 ASN 8 1.381 7.836 -7.027 78 H LEU 9 H LEU 9 3.894 12.435 -3.728 79 HA LEU 9 HA LEU 9 2.024 14.103 -2.210 80 HG LEU 9 HG LEU 9 5.670 14.395 -2.870 81 HB2 LEU 9 2HB LEU 9 3.970 14.901 -0.962 82 HB3 LEU 9 1HB LEU 9 3.803 13.160 -0.879 83 HD11 LEU 9 1HD1 LEU 9 6.040 15.275 -0.499 84 HD12 LEU 9 2HD1 LEU 9 7.414 14.538 -1.328 85 HD13 LEU 9 3HD1 LEU 9 6.527 13.632 -0.103 86 HD21 LEU 9 3HD2 LEU 9 6.785 12.108 -1.864 87 HD22 LEU 9 1HD2 LEU 9 5.821 12.205 -3.337 88 HD23 LEU 9 2HD2 LEU 9 5.063 11.733 -1.822 89 H LYS 10 H LYS 10 3.108 16.462 -1.954 90 HA LYS 10 HA LYS 10 2.772 17.621 -4.542 91 HB2 LYS 10 2HB LYS 10 2.186 18.493 -2.093 92 HB3 LYS 10 1HB LYS 10 3.770 19.254 -2.269 93 HG2 LYS 10 2HG LYS 10 3.035 20.746 -3.781 94 HG3 LYS 10 1HG LYS 10 1.944 19.589 -4.552 95 HD2 LYS 10 2HD LYS 10 0.211 20.081 -3.152 96 HD3 LYS 10 1HD LYS 10 1.280 20.501 -1.810 97 HE2 LYS 10 2HE LYS 10 1.923 22.475 -3.470 98 HE3 LYS 10 1HE LYS 10 0.294 22.171 -4.051 99 HZ1 LYS 10 3HZ LYS 10 -0.625 22.742 -2.018 100 HZ2 LYS 10 1HZ LYS 10 0.634 23.859 -2.173 101 HZ3 LYS 10 2HZ LYS 10 0.817 22.514 -1.170 102 H GLN 11 H GLN 11 5.479 17.789 -2.237 103 HA GLN 11 HA GLN 11 7.215 19.142 -3.947 104 HB2 GLN 11 2HB GLN 11 8.978 18.571 -2.418 105 HB3 GLN 11 1HB GLN 11 7.527 18.942 -1.501 106 HG2 GLN 11 2HG GLN 11 7.206 16.743 -0.874 107 HG3 GLN 11 1HG GLN 11 8.175 16.111 -2.201 108 HE21 GLN 11 1HE2 GLN 11 9.480 14.875 -0.886 109 HE22 GLN 11 2HE2 GLN 11 10.648 15.561 0.187 110 H ALA 12 H ALA 12 6.245 15.856 -4.031 111 HA ALA 12 HA ALA 12 7.595 15.336 -6.430 112 HB1 ALA 12 1HB ALA 12 8.911 13.603 -4.450 113 HB2 ALA 12 2HB ALA 12 9.412 15.290 -4.444 114 HB3 ALA 12 3HB ALA 12 9.544 14.336 -5.920 115 H LYS 13 H LYS 13 7.981 12.682 -6.470 116 HA LYS 13 HA LYS 13 5.518 11.466 -5.438 117 HB2 LYS 13 2HB LYS 13 6.353 11.791 -8.251 118 HB3 LYS 13 1HB LYS 13 5.765 10.191 -7.820 119 HG2 LYS 13 2HG LYS 13 3.648 10.982 -7.291 120 HG3 LYS 13 1HG LYS 13 4.205 12.649 -7.116 121 HD2 LYS 13 2HD LYS 13 4.599 11.434 -9.773 122 HD3 LYS 13 1HD LYS 13 2.920 11.698 -9.296 123 HE2 LYS 13 2HE LYS 13 3.279 14.024 -9.003 124 HE3 LYS 13 1HE LYS 13 5.026 13.836 -9.094 125 HZ1 LYS 13 3HZ LYS 13 4.694 13.084 -11.432 126 HZ2 LYS 13 1HZ LYS 13 4.281 14.700 -11.155 127 HZ3 LYS 13 2HZ LYS 13 3.067 13.532 -11.299 128 H GLU 14 H GLU 14 6.196 9.919 -4.108 129 HA GLU 14 HA GLU 14 8.585 8.369 -4.842 130 HB2 GLU 14 2HB GLU 14 7.293 8.514 -2.120 131 HB3 GLU 14 1HB GLU 14 8.881 7.870 -2.521 132 HG2 GLU 14 2HG GLU 14 8.338 10.707 -3.161 133 HG3 GLU 14 1HG GLU 14 8.550 10.267 -1.468 134 H GLU 15 H GLU 15 8.431 6.283 -5.322 135 HA GLU 15 HA GLU 15 6.185 4.696 -4.366 136 HB2 GLU 15 2HB GLU 15 5.816 3.819 -6.718 137 HB3 GLU 15 1HB GLU 15 5.229 5.446 -6.401 138 HG2 GLU 15 2HG GLU 15 6.344 6.110 -8.192 139 HG3 GLU 15 1HG GLU 15 7.835 5.791 -7.307 140 H ALA 16 H ALA 16 6.672 2.541 -4.138 141 HA ALA 16 HA ALA 16 9.035 1.428 -5.386 142 HB1 ALA 16 1HB ALA 16 10.262 2.289 -3.639 143 HB2 ALA 16 2HB ALA 16 9.836 0.696 -3.014 144 HB3 ALA 16 3HB ALA 16 8.940 2.118 -2.485 145 H ILE 17 H ILE 17 9.418 -0.874 -4.414 146 HA ILE 17 HA ILE 17 6.815 -2.146 -3.885 147 HB ILE 17 HB ILE 17 7.418 -2.495 -6.241 148 HG12 ILE 17 2HG1 ILE 17 7.800 -5.192 -5.780 149 HG13 ILE 17 1HG1 ILE 17 7.077 -4.637 -4.274 150 HG21 ILE 17 1HG2 ILE 17 9.434 -3.176 -6.977 151 HG22 ILE 17 2HG2 ILE 17 9.688 -4.263 -5.613 152 HG23 ILE 17 3HG2 ILE 17 9.987 -2.534 -5.432 153 HD11 ILE 17 3HD1 ILE 17 5.782 -3.700 -6.744 154 HD12 ILE 17 1HD1 ILE 17 5.077 -4.253 -5.226 155 HD13 ILE 17 2HD1 ILE 17 5.662 -5.425 -6.404 156 H LYS 18 H LYS 18 6.802 -3.655 -2.304 157 HA LYS 18 HA LYS 18 9.394 -4.569 -1.249 158 HB2 LYS 18 2HB LYS 18 7.156 -4.208 0.671 159 HB3 LYS 18 1HB LYS 18 8.886 -4.029 0.916 160 HG2 LYS 18 2HG LYS 18 7.579 -2.021 -0.821 161 HG3 LYS 18 1HG LYS 18 7.187 -1.974 0.897 162 HD2 LYS 18 2HD LYS 18 9.023 -0.605 0.846 163 HD3 LYS 18 1HD LYS 18 9.792 -2.159 1.173 164 HE2 LYS 18 2HE LYS 18 10.572 -2.369 -1.010 165 HE3 LYS 18 1HE LYS 18 9.409 -1.200 -1.639 166 HZ1 LYS 18 3HZ LYS 18 11.788 -0.431 -1.443 167 HZ2 LYS 18 1HZ LYS 18 11.569 -0.429 0.234 168 HZ3 LYS 18 2HZ LYS 18 10.626 0.576 -0.744 169 H GLU 19 H GLU 19 8.998 -6.443 0.372 170 HA GLU 19 HA GLU 19 6.996 -8.265 -0.796 171 HB2 GLU 19 2HB GLU 19 9.768 -8.869 0.239 172 HB3 GLU 19 1HB GLU 19 8.582 -10.109 -0.155 173 HG2 GLU 19 2HG GLU 19 8.641 -8.546 -2.421 174 HG3 GLU 19 1HG GLU 19 10.325 -8.568 -1.894 175 H LEU 20 H LEU 20 5.695 -9.393 0.569 176 HA LEU 20 HA LEU 20 6.268 -9.421 3.427 177 HG LEU 20 HG LEU 20 4.285 -6.467 4.162 178 HB2 LEU 20 2HB LEU 20 3.945 -8.001 2.168 179 HB3 LEU 20 1HB LEU 20 3.774 -8.718 3.758 180 HD11 LEU 20 1HD1 LEU 20 7.087 -7.341 4.362 181 HD12 LEU 20 2HD1 LEU 20 5.895 -8.395 5.127 182 HD13 LEU 20 3HD1 LEU 20 6.002 -6.697 5.595 183 HD21 LEU 20 3HD2 LEU 20 5.566 -6.591 1.656 184 HD22 LEU 20 1HD2 LEU 20 6.774 -6.057 2.823 185 HD23 LEU 20 2HD2 LEU 20 5.261 -5.170 2.654 186 H VAL 21 H VAL 21 4.116 -10.503 4.507 187 HA VAL 21 HA VAL 21 3.807 -13.021 3.027 188 HB VAL 21 HB VAL 21 3.168 -12.489 5.929 189 HG11 VAL 21 1HG1 VAL 21 1.970 -14.385 5.314 190 HG12 VAL 21 2HG1 VAL 21 3.470 -15.050 5.961 191 HG13 VAL 21 3HG1 VAL 21 3.232 -14.947 4.216 192 HG21 VAL 21 3HG2 VAL 21 5.671 -12.419 4.882 193 HG22 VAL 21 1HG2 VAL 21 5.509 -14.132 5.262 194 HG23 VAL 21 2HG2 VAL 21 5.293 -12.924 6.530 195 H ASP 22 H ASP 22 2.026 -10.367 4.414 196 HA ASP 22 HA ASP 22 -0.317 -11.056 2.897 197 HB2 ASP 22 2HB ASP 22 -0.132 -11.833 5.675 198 HB3 ASP 22 1HB ASP 22 -1.423 -10.649 5.457 199 H ALA 23 H ALA 23 -2.154 -9.379 3.603 200 HA ALA 23 HA ALA 23 -0.988 -6.808 3.193 201 HB1 ALA 23 1HB ALA 23 -3.066 -6.103 2.679 202 HB2 ALA 23 2HB ALA 23 -3.810 -6.937 4.042 203 HB3 ALA 23 3HB ALA 23 -3.392 -7.833 2.581 204 H ALA 24 H ALA 24 -2.206 -8.551 5.966 205 HA ALA 24 HA ALA 24 -2.576 -6.484 7.778 206 HB1 ALA 24 1HB ALA 24 -2.724 -8.104 9.347 207 HB2 ALA 24 2HB ALA 24 -1.224 -8.881 8.841 208 HB3 ALA 24 3HB ALA 24 -2.716 -9.175 7.945 209 H THR 25 H THR 25 0.392 -8.327 7.100 210 HA THR 25 HA THR 25 2.007 -6.667 8.752 211 HB THR 25 HB THR 25 2.454 -9.112 7.971 212 HG1 THR 25 1HG THR 25 4.601 -7.270 7.861 213 HG21 THR 25 3HG2 THR 25 3.708 -7.613 5.685 214 HG22 THR 25 1HG2 THR 25 2.396 -8.791 5.581 215 HG23 THR 25 2HG2 THR 25 4.004 -9.302 6.095 216 H ALA 26 H ALA 26 1.227 -6.762 5.315 217 HA ALA 26 HA ALA 26 3.094 -4.911 4.377 218 HB1 ALA 26 1HB ALA 26 0.230 -5.285 3.471 219 HB2 ALA 26 2HB ALA 26 1.623 -6.201 2.892 220 HB3 ALA 26 3HB ALA 26 1.506 -4.473 2.560 221 H GLU 27 H GLU 27 -0.232 -4.371 5.439 222 HA GLU 27 HA GLU 27 -0.390 -1.644 5.392 223 HB2 GLU 27 2HB GLU 27 -1.545 -3.709 7.245 224 HB3 GLU 27 1HB GLU 27 -1.914 -1.998 7.457 225 HG2 GLU 27 2HG GLU 27 -3.210 -1.897 5.594 226 HG3 GLU 27 1HG GLU 27 -2.291 -3.146 4.753 227 H LYS 28 H LYS 28 1.181 -3.702 7.773 228 HA LYS 28 HA LYS 28 1.656 -1.608 9.659 229 HB2 LYS 28 2HB LYS 28 2.776 -4.383 9.306 230 HB3 LYS 28 1HB LYS 28 3.388 -3.295 10.546 231 HG2 LYS 28 2HG LYS 28 0.531 -3.362 10.671 232 HG3 LYS 28 1HG LYS 28 1.166 -5.008 10.685 233 HD2 LYS 28 2HD LYS 28 2.393 -2.922 12.438 234 HD3 LYS 28 1HD LYS 28 0.888 -3.706 12.924 235 HE2 LYS 28 2HE LYS 28 1.883 -5.744 13.216 236 HE3 LYS 28 1HE LYS 28 3.132 -5.427 12.011 237 HZ1 LYS 28 3HZ LYS 28 3.039 -4.639 14.840 238 HZ2 LYS 28 1HZ LYS 28 3.903 -3.677 13.749 239 HZ3 LYS 28 2HZ LYS 28 4.316 -5.306 13.954 240 H TYR 29 H TYR 29 3.619 -3.218 7.202 241 HA TYR 29 HA TYR 29 5.924 -1.586 7.646 242 HD1 TYR 29 1HD TYR 29 6.035 -1.619 3.791 243 HD2 TYR 29 2HD TYR 29 8.494 -3.565 6.665 244 HE1 TYR 29 1HE TYR 29 8.030 -0.943 2.532 245 HE2 TYR 29 2HE TYR 29 10.500 -2.891 5.412 246 HH TYR 29 HH TYR 29 11.194 -1.222 3.805 247 HB2 TYR 29 2HB TYR 29 6.167 -3.842 6.766 248 HB3 TYR 29 1HB TYR 29 5.169 -3.433 5.373 249 H PHE 30 H PHE 30 3.663 -1.865 4.920 250 HA PHE 30 HA PHE 30 4.578 0.253 3.414 251 HD1 PHE 30 2HD PHE 30 5.109 -0.212 1.959 252 HD2 PHE 30 1HD PHE 30 1.281 -1.886 1.133 253 HE1 PHE 30 2HE PHE 30 5.916 -0.963 -0.230 254 HE2 PHE 30 1HE PHE 30 2.088 -2.639 -1.062 255 HZ PHE 30 HZ PHE 30 4.409 -2.180 -1.745 256 HB2 PHE 30 2HB PHE 30 2.171 -1.402 3.531 257 HB3 PHE 30 1HB PHE 30 1.861 0.207 2.891 258 H LYS 31 H LYS 31 2.199 0.322 6.043 259 HA LYS 31 HA LYS 31 1.525 3.056 5.648 260 HB2 LYS 31 2HB LYS 31 0.100 1.418 6.887 261 HB3 LYS 31 1HB LYS 31 1.275 1.467 8.201 262 HG2 LYS 31 2HG LYS 31 0.595 3.497 8.920 263 HG3 LYS 31 1HG LYS 31 0.211 4.067 7.295 264 HD2 LYS 31 2HD LYS 31 -1.743 2.411 7.385 265 HD3 LYS 31 1HD LYS 31 -1.439 2.354 9.124 266 HE2 LYS 31 2HE LYS 31 -1.466 5.023 8.715 267 HE3 LYS 31 1HE LYS 31 -2.592 4.500 7.463 268 HZ1 LYS 31 3HZ LYS 31 -3.969 3.477 9.073 269 HZ2 LYS 31 1HZ LYS 31 -3.613 5.021 9.665 270 HZ3 LYS 31 2HZ LYS 31 -2.821 3.667 10.299 271 H LEU 32 H LEU 32 3.806 1.395 7.798 272 HA LEU 32 HA LEU 32 4.672 3.683 9.192 273 HG LEU 32 HG LEU 32 5.402 2.998 11.052 274 HB2 LEU 32 2HB LEU 32 5.418 0.910 8.999 275 HB3 LEU 32 1HB LEU 32 6.855 1.909 8.988 276 HD11 LEU 32 1HD1 LEU 32 3.743 1.393 11.240 277 HD12 LEU 32 2HD1 LEU 32 4.942 0.862 12.419 278 HD13 LEU 32 3HD1 LEU 32 4.838 0.070 10.846 279 HD21 LEU 32 3HD2 LEU 32 7.602 2.757 11.544 280 HD22 LEU 32 1HD2 LEU 32 7.710 1.171 10.783 281 HD23 LEU 32 2HD2 LEU 32 7.003 1.331 12.390 282 H TYR 33 H TYR 33 5.562 2.300 6.111 283 HA TYR 33 HA TYR 33 7.920 3.820 5.693 284 HD1 TYR 33 1HD TYR 33 5.850 4.292 2.277 285 HD2 TYR 33 2HD TYR 33 9.549 2.366 3.125 286 HE1 TYR 33 1HE TYR 33 6.811 5.240 0.224 287 HE2 TYR 33 2HE TYR 33 10.521 3.312 1.072 288 HH TYR 33 HH TYR 33 8.695 4.658 -1.372 289 HB2 TYR 33 2HB TYR 33 7.666 1.843 4.405 290 HB3 TYR 33 1HB TYR 33 6.050 2.308 3.867 291 H ALA 34 H ALA 34 4.608 4.152 4.435 292 HA ALA 34 HA ALA 34 5.027 6.589 3.097 293 HB1 ALA 34 1HB ALA 34 2.434 6.741 3.465 294 HB2 ALA 34 2HB ALA 34 2.633 5.076 4.015 295 HB3 ALA 34 3HB ALA 34 3.125 5.529 2.384 296 H ASN 35 H ASN 35 4.393 5.844 6.433 297 HA ASN 35 HA ASN 35 3.486 8.422 7.213 298 HB2 ASN 35 2HB ASN 35 4.101 5.889 8.502 299 HB3 ASN 35 1HB ASN 35 4.637 7.258 9.470 300 HD21 ASN 35 1HD2 ASN 35 2.292 5.208 9.407 301 HD22 ASN 35 2HD2 ASN 35 0.926 6.195 9.794 302 H ALA 36 H ALA 36 6.647 6.894 7.002 303 HA ALA 36 HA ALA 36 7.942 9.233 8.166 304 HB1 ALA 36 1HB ALA 36 8.581 6.784 8.637 305 HB2 ALA 36 2HB ALA 36 9.873 7.952 8.360 306 HB3 ALA 36 3HB ALA 36 9.389 6.850 7.071 307 H LYS 37 H LYS 37 7.400 7.745 5.061 308 HA LYS 37 HA LYS 37 9.453 9.069 3.640 309 HB2 LYS 37 2HB LYS 37 7.230 7.327 3.025 310 HB3 LYS 37 1HB LYS 37 7.361 8.611 1.832 311 HG2 LYS 37 2HG LYS 37 8.632 6.765 1.053 312 HG3 LYS 37 1HG LYS 37 9.767 8.015 1.563 313 HD2 LYS 37 2HD LYS 37 9.812 6.778 3.812 314 HD3 LYS 37 1HD LYS 37 9.058 5.442 2.940 315 HE2 LYS 37 2HE LYS 37 11.340 4.965 2.833 316 HE3 LYS 37 1HE LYS 37 10.985 5.699 1.271 317 HZ1 LYS 37 3HZ LYS 37 11.660 7.856 2.632 318 HZ2 LYS 37 1HZ LYS 37 12.799 6.906 1.818 319 HZ3 LYS 37 2HZ LYS 37 12.582 6.720 3.485 320 H THR 38 H THR 38 6.014 9.645 2.982 321 HA THR 38 HA THR 38 6.647 12.510 2.796 322 HB THR 38 HB THR 38 5.972 11.976 0.667 323 HG1 THR 38 1HG THR 38 4.517 13.542 1.556 324 HG21 THR 38 3HG2 THR 38 4.348 9.850 1.922 325 HG22 THR 38 1HG2 THR 38 5.398 9.794 0.507 326 HG23 THR 38 2HG2 THR 38 3.791 10.514 0.386 327 H VAL 39 H VAL 39 3.351 11.320 2.806 328 HA VAL 39 HA VAL 39 2.947 11.995 5.595 329 HB VAL 39 HB VAL 39 1.302 13.466 3.547 330 HG11 VAL 39 1HG1 VAL 39 1.637 13.573 6.518 331 HG12 VAL 39 2HG1 VAL 39 0.165 13.465 5.560 332 HG13 VAL 39 3HG1 VAL 39 1.063 14.982 5.628 333 HG21 VAL 39 3HG2 VAL 39 3.810 14.419 4.921 334 HG22 VAL 39 1HG2 VAL 39 2.668 15.475 4.089 335 HG23 VAL 39 2HG2 VAL 39 3.547 14.240 3.185 336 H GLU 40 H GLU 40 0.654 11.599 6.257 337 HA GLU 40 HA GLU 40 -0.364 9.269 4.808 338 HB2 GLU 40 2HB GLU 40 -0.721 10.293 7.609 339 HB3 GLU 40 1HB GLU 40 -1.820 9.096 6.943 340 HG2 GLU 40 2HG GLU 40 1.165 8.769 7.135 341 HG3 GLU 40 1HG GLU 40 -0.004 8.116 8.282 342 H GLY 41 H GLY 41 -1.757 9.816 3.248 343 HA2 GLY 41 2HA GLY 41 -3.953 11.654 3.976 344 HA3 GLY 41 1HA GLY 41 -3.195 11.680 2.383 345 H VAL 42 H VAL 42 -4.753 11.004 1.027 346 HA VAL 42 HA VAL 42 -6.768 9.144 1.661 347 HB VAL 42 HB VAL 42 -7.141 8.974 -0.787 348 HG11 VAL 42 1HG1 VAL 42 -7.662 11.062 0.835 349 HG12 VAL 42 2HG1 VAL 42 -8.202 10.961 -0.842 350 HG13 VAL 42 3HG1 VAL 42 -6.743 11.868 -0.438 351 HG21 VAL 42 3HG2 VAL 42 -5.162 9.087 -1.906 352 HG22 VAL 42 1HG2 VAL 42 -4.484 10.301 -0.828 353 HG23 VAL 42 2HG2 VAL 42 -5.657 10.767 -2.059 354 H TRP 43 H TRP 43 -7.059 6.993 0.926 355 HA TRP 43 HA TRP 43 -4.578 5.558 0.313 356 HD1 TRP 43 HD TRP 43 -4.988 6.853 3.925 357 HE1 TRP 43 1HE TRP 43 -2.661 6.600 5.002 358 HE3 TRP 43 3HE TRP 43 -3.456 2.614 1.538 359 HZ2 TRP 43 2HZ TRP 43 -0.461 4.827 4.853 360 HZ3 TRP 43 3HZ TRP 43 -1.228 1.699 2.053 361 HH2 TRP 43 HH TRP 43 0.235 2.784 3.680 362 HB2 TRP 43 2HB TRP 43 -6.506 5.135 2.548 363 HB3 TRP 43 1HB TRP 43 -5.718 3.726 1.847 364 H THR 44 H THR 44 -4.744 4.057 -1.241 365 HA THR 44 HA THR 44 -7.391 3.048 -1.990 366 HB THR 44 HB THR 44 -5.621 3.608 -4.274 367 HG1 THR 44 1HG THR 44 -6.170 5.836 -4.268 368 HG21 THR 44 3HG2 THR 44 -7.936 4.806 -4.872 369 HG22 THR 44 1HG2 THR 44 -8.500 3.646 -3.671 370 HG23 THR 44 2HG2 THR 44 -7.641 3.081 -5.104 371 H TYR 45 H TYR 45 -7.270 0.913 -1.817 372 HA TYR 45 HA TYR 45 -4.707 -0.422 -2.195 373 HD1 TYR 45 1HD TYR 45 -3.637 -2.025 -0.888 374 HD2 TYR 45 2HD TYR 45 -7.462 -3.839 -1.316 375 HE1 TYR 45 1HE TYR 45 -2.580 -4.244 -0.860 376 HE2 TYR 45 2HE TYR 45 -6.416 -6.065 -1.290 377 HH TYR 45 HH TYR 45 -4.106 -7.020 -1.843 378 HB2 TYR 45 2HB TYR 45 -6.047 -0.926 -0.182 379 HB3 TYR 45 1HB TYR 45 -7.335 -1.544 -1.210 380 H LYS 46 H LYS 46 -4.433 -2.232 -3.545 381 HA LYS 46 HA LYS 46 -6.437 -2.506 -5.684 382 HB2 LYS 46 2HB LYS 46 -3.887 -1.417 -5.969 383 HB3 LYS 46 1HB LYS 46 -3.718 -3.064 -6.558 384 HG2 LYS 46 2HG LYS 46 -5.942 -1.290 -7.489 385 HG3 LYS 46 1HG LYS 46 -4.341 -1.243 -8.232 386 HD2 LYS 46 2HD LYS 46 -4.514 -3.663 -8.687 387 HD3 LYS 46 1HD LYS 46 -6.144 -3.652 -8.009 388 HE2 LYS 46 2HE LYS 46 -6.583 -3.454 -10.256 389 HE3 LYS 46 1HE LYS 46 -6.548 -1.761 -9.759 390 HZ1 LYS 46 3HZ LYS 46 -5.147 -1.608 -11.499 391 HZ2 LYS 46 1HZ LYS 46 -4.702 -3.241 -11.453 392 HZ3 LYS 46 2HZ LYS 46 -3.996 -2.136 -10.377 393 H ASP 47 H ASP 47 -7.266 -4.357 -4.640 394 HA ASP 47 HA ASP 47 -5.786 -6.544 -3.743 395 HB2 ASP 47 2HB ASP 47 -8.488 -5.882 -3.949 396 HB3 ASP 47 1HB ASP 47 -8.321 -7.349 -4.915 397 H GLU 48 H GLU 48 -6.445 -5.503 -6.952 398 HA GLU 48 HA GLU 48 -6.474 -7.796 -8.439 399 HB2 GLU 48 2HB GLU 48 -6.483 -5.267 -9.129 400 HB3 GLU 48 1HB GLU 48 -4.758 -5.518 -9.338 401 HG2 GLU 48 2HG GLU 48 -6.052 -7.659 -10.625 402 HG3 GLU 48 1HG GLU 48 -6.898 -6.185 -11.095 403 H THR 49 H THR 49 -3.744 -6.343 -6.805 404 HA THR 49 HA THR 49 -2.241 -8.776 -7.040 405 HB THR 49 HB THR 49 -0.723 -6.463 -8.115 406 HG1 THR 49 1HG THR 49 -2.471 -7.983 -9.749 407 HG21 THR 49 3HG2 THR 49 -0.717 -9.422 -8.492 408 HG22 THR 49 1HG2 THR 49 0.601 -8.344 -8.019 409 HG23 THR 49 2HG2 THR 49 0.026 -8.366 -9.690 410 H LYS 50 H LYS 50 -3.287 -6.973 -4.969 411 HA LYS 50 HA LYS 50 -2.669 -6.077 -2.969 412 HB2 LYS 50 2HB LYS 50 -0.398 -7.943 -3.573 413 HB3 LYS 50 1HB LYS 50 -0.377 -6.953 -2.120 414 HG2 LYS 50 2HG LYS 50 -2.007 -8.153 -1.110 415 HG3 LYS 50 1HG LYS 50 -2.839 -8.507 -2.628 416 HD2 LYS 50 2HD LYS 50 -0.490 -9.858 -2.946 417 HD3 LYS 50 1HD LYS 50 -0.765 -10.019 -1.211 418 HE2 LYS 50 2HE LYS 50 -2.024 -11.780 -1.821 419 HE3 LYS 50 1HE LYS 50 -3.239 -10.550 -2.163 420 HZ1 LYS 50 3HZ LYS 50 -2.486 -12.351 -3.938 421 HZ2 LYS 50 1HZ LYS 50 -1.352 -11.148 -4.296 422 HZ3 LYS 50 2HZ LYS 50 -3.004 -10.803 -4.379 423 H THR 51 H THR 51 -2.580 -3.950 -3.910 424 HA THR 51 HA THR 51 0.095 -2.808 -3.710 425 HB THR 51 HB THR 51 -1.720 -2.361 -6.086 426 HG1 THR 51 1HG THR 51 -0.564 -4.266 -6.282 427 HG21 THR 51 3HG2 THR 51 0.765 -0.974 -5.208 428 HG22 THR 51 1HG2 THR 51 -0.709 -0.307 -5.908 429 HG23 THR 51 2HG2 THR 51 0.434 -1.185 -6.928 430 H PHE 52 H PHE 52 0.027 -1.132 -2.383 431 HA PHE 52 HA PHE 52 -2.531 0.147 -1.813 432 HD1 PHE 52 1HD PHE 52 -0.351 -2.309 -0.233 433 HD2 PHE 52 2HD PHE 52 -2.839 0.716 1.435 434 HE1 PHE 52 1HE PHE 52 -1.348 -3.971 1.282 435 HE2 PHE 52 2HE PHE 52 -3.839 -0.943 2.954 436 HZ PHE 52 HZ PHE 52 -3.094 -3.289 2.877 437 HB2 PHE 52 2HB PHE 52 0.156 0.151 -0.448 438 HB3 PHE 52 1HB PHE 52 -1.101 1.313 -0.012 439 H THR 53 H THR 53 -2.856 2.395 -1.948 440 HA THR 53 HA THR 53 -0.796 3.974 -3.292 441 HB THR 53 HB THR 53 -3.636 3.776 -4.305 442 HG1 THR 53 1HG THR 53 -1.204 2.788 -5.370 443 HG21 THR 53 3HG2 THR 53 -3.151 5.296 -5.945 444 HG22 THR 53 1HG2 THR 53 -1.410 5.051 -5.811 445 HG23 THR 53 2HG2 THR 53 -2.268 5.971 -4.577 446 H VAL 54 H VAL 54 -0.485 5.542 -1.848 447 HA VAL 54 HA VAL 54 -2.856 6.971 -0.831 448 HB VAL 54 HB VAL 54 -1.928 5.809 1.042 449 HG11 VAL 54 1HG1 VAL 54 0.234 5.244 0.126 450 HG12 VAL 54 2HG1 VAL 54 0.437 6.028 1.694 451 HG13 VAL 54 3HG1 VAL 54 0.744 6.932 0.210 452 HG21 VAL 54 3HG2 VAL 54 -0.583 8.222 1.839 453 HG22 VAL 54 1HG2 VAL 54 -2.142 7.590 2.360 454 HG23 VAL 54 2HG2 VAL 54 -2.040 8.614 0.931 455 H THR 55 H THR 55 -2.819 9.181 -0.955 456 HA THR 55 HA THR 55 -0.325 10.488 -1.734 457 HB THR 55 HB THR 55 -1.229 10.166 -3.869 458 HG1 THR 55 1HG THR 55 -0.837 12.227 -4.068 459 HG21 THR 55 3HG2 THR 55 -3.514 9.499 -2.956 460 HG22 THR 55 1HG2 THR 55 -3.445 10.306 -4.521 461 HG23 THR 55 2HG2 THR 55 -3.905 11.205 -3.083 462 H GLU 56 H GLU 56 -0.692 12.958 -1.840 463 HA GLU 56 HA GLU 56 -1.865 13.720 0.683 464 HB2 GLU 56 2HB GLU 56 -0.901 15.931 0.203 465 HB3 GLU 56 1HB GLU 56 0.288 14.654 0.045 466 HG2 GLU 56 2HG GLU 56 0.798 15.631 -1.890 467 HG3 GLU 56 1HG GLU 56 -0.657 14.839 -2.498 Start of MODEL 15 1 HA THR 1 HA THR 1 4.485 -12.612 -2.536 2 HB THR 1 HB THR 1 2.874 -11.233 -0.382 3 HG1 THR 1 1HG THR 1 1.515 -13.071 -0.537 4 H1 THR 1 1HT THR 1 4.826 -12.409 0.363 5 H2 THR 1 2HT THR 1 6.161 -12.621 -0.695 6 H3 THR 1 3HT THR 1 4.906 -13.793 -0.648 7 HG21 THR 1 3HG2 THR 1 1.245 -12.092 -2.485 8 HG22 THR 1 1HG2 THR 1 2.638 -11.311 -3.233 9 HG23 THR 1 2HG2 THR 1 1.667 -10.436 -2.049 10 H THR 2 H THR 2 4.464 -10.690 -3.762 11 HA THR 2 HA THR 2 6.271 -8.647 -2.740 12 HB THR 2 HB THR 2 5.141 -8.953 -5.526 13 HG1 THR 2 1HG THR 2 6.420 -10.760 -4.803 14 HG21 THR 2 3HG2 THR 2 7.680 -7.579 -4.719 15 HG22 THR 2 1HG2 THR 2 6.145 -6.728 -4.894 16 HG23 THR 2 2HG2 THR 2 6.863 -7.549 -6.282 17 H TYR 3 H TYR 3 5.481 -6.890 -1.821 18 HA TYR 3 HA TYR 3 2.772 -6.007 -2.512 19 HD1 TYR 3 2HD TYR 3 0.964 -4.742 -0.798 20 HD2 TYR 3 1HD TYR 3 3.324 -7.878 0.840 21 HE1 TYR 3 2HE TYR 3 -1.077 -5.847 0.014 22 HE2 TYR 3 1HE TYR 3 1.293 -8.993 1.652 23 HH TYR 3 HH TYR 3 -1.075 -9.062 1.197 24 HB2 TYR 3 2HB TYR 3 4.383 -6.004 -0.047 25 HB3 TYR 3 1HB TYR 3 3.472 -4.518 -0.331 26 H LYS 4 H LYS 4 2.413 -4.099 -3.500 27 HA LYS 4 HA LYS 4 4.756 -2.373 -3.969 28 HB2 LYS 4 2HB LYS 4 3.405 -3.620 -5.874 29 HB3 LYS 4 1HB LYS 4 2.342 -2.232 -5.711 30 HG2 LYS 4 2HG LYS 4 4.653 -0.935 -5.879 31 HG3 LYS 4 1HG LYS 4 5.104 -2.396 -6.758 32 HD2 LYS 4 2HD LYS 4 2.728 -0.637 -7.366 33 HD3 LYS 4 1HD LYS 4 4.247 -0.658 -8.261 34 HE2 LYS 4 2HE LYS 4 3.788 -3.155 -8.599 35 HE3 LYS 4 1HE LYS 4 2.145 -2.790 -8.079 36 HZ1 LYS 4 3HZ LYS 4 2.439 -2.744 -10.506 37 HZ2 LYS 4 1HZ LYS 4 3.522 -1.455 -10.337 38 HZ3 LYS 4 2HZ LYS 4 1.902 -1.264 -9.891 39 H LEU 5 H LEU 5 4.638 -0.205 -3.623 40 HA LEU 5 HA LEU 5 2.074 0.943 -2.807 41 HG LEU 5 HG LEU 5 3.677 3.301 -1.168 42 HB2 LEU 5 2HB LEU 5 3.077 0.374 -0.719 43 HB3 LEU 5 1HB LEU 5 4.630 1.040 -1.217 44 HD11 LEU 5 1HD1 LEU 5 1.496 3.776 -0.924 45 HD12 LEU 5 2HD1 LEU 5 1.240 2.486 0.253 46 HD13 LEU 5 3HD1 LEU 5 1.259 2.115 -1.473 47 HD21 LEU 5 3HD2 LEU 5 3.236 3.386 1.316 48 HD22 LEU 5 1HD2 LEU 5 4.748 2.619 0.828 49 HD23 LEU 5 2HD2 LEU 5 3.372 1.628 1.313 50 H ILE 6 H ILE 6 1.744 2.990 -3.494 51 HA ILE 6 HA ILE 6 4.033 4.432 -4.655 52 HB ILE 6 HB ILE 6 2.397 5.310 -6.388 53 HG12 ILE 6 2HG1 ILE 6 0.833 2.861 -5.547 54 HG13 ILE 6 1HG1 ILE 6 0.353 4.520 -5.207 55 HG21 ILE 6 1HG2 ILE 6 2.552 2.505 -7.091 56 HG22 ILE 6 2HG2 ILE 6 4.051 3.088 -6.370 57 HG23 ILE 6 3HG2 ILE 6 3.387 3.891 -7.790 58 HD11 ILE 6 3HD1 ILE 6 -0.647 3.233 -7.238 59 HD12 ILE 6 1HD1 ILE 6 0.859 3.701 -8.025 60 HD13 ILE 6 2HD1 ILE 6 -0.223 4.938 -7.386 61 H LEU 7 H LEU 7 4.281 6.389 -3.801 62 HA LEU 7 HA LEU 7 1.939 7.663 -2.559 63 HG LEU 7 HG LEU 7 2.629 6.399 -0.681 64 HB2 LEU 7 2HB LEU 7 4.862 7.843 -1.851 65 HB3 LEU 7 1HB LEU 7 3.646 8.943 -1.210 66 HD11 LEU 7 1HD1 LEU 7 4.489 5.105 -0.919 67 HD12 LEU 7 2HD1 LEU 7 4.720 5.634 0.751 68 HD13 LEU 7 3HD1 LEU 7 5.595 6.433 -0.560 69 HD21 LEU 7 3HD2 LEU 7 3.171 8.758 0.661 70 HD22 LEU 7 1HD2 LEU 7 4.114 7.550 1.531 71 HD23 LEU 7 2HD2 LEU 7 2.377 7.335 1.327 72 H ASN 8 H ASN 8 1.342 9.655 -3.171 73 HA ASN 8 HA ASN 8 3.119 11.099 -5.026 74 HB2 ASN 8 2HB ASN 8 0.108 11.184 -5.166 75 HB3 ASN 8 1HB ASN 8 1.264 11.771 -6.356 76 HD21 ASN 8 1HD2 ASN 8 0.264 8.799 -4.708 77 HD22 ASN 8 2HD2 ASN 8 0.498 7.757 -6.081 78 H LEU 9 H LEU 9 3.756 11.973 -2.822 79 HA LEU 9 HA LEU 9 1.925 13.764 -1.537 80 HG LEU 9 HG LEU 9 5.555 13.950 -2.105 81 HB2 LEU 9 2HB LEU 9 3.829 14.408 -0.142 82 HB3 LEU 9 1HB LEU 9 3.638 12.669 -0.227 83 HD11 LEU 9 1HD1 LEU 9 7.250 14.215 -0.542 84 HD12 LEU 9 2HD1 LEU 9 6.411 13.264 0.680 85 HD13 LEU 9 3HD1 LEU 9 5.846 14.887 0.280 86 HD21 LEU 9 3HD2 LEU 9 5.019 11.311 -0.938 87 HD22 LEU 9 1HD2 LEU 9 6.727 11.738 -1.067 88 HD23 LEU 9 2HD2 LEU 9 5.705 11.744 -2.505 89 H LYS 10 H LYS 10 2.123 16.041 -1.382 90 HA LYS 10 HA LYS 10 2.265 17.402 -3.757 91 HB2 LYS 10 2HB LYS 10 1.869 18.051 -1.036 92 HB3 LYS 10 1HB LYS 10 3.084 19.176 -1.651 93 HG2 LYS 10 2HG LYS 10 1.539 19.718 -3.526 94 HG3 LYS 10 1HG LYS 10 0.316 18.717 -2.739 95 HD2 LYS 10 2HD LYS 10 1.080 20.316 -0.686 96 HD3 LYS 10 1HD LYS 10 1.291 21.410 -2.060 97 HE2 LYS 10 2HE LYS 10 -1.128 20.251 -2.597 98 HE3 LYS 10 1HE LYS 10 -1.158 20.351 -0.835 99 HZ1 LYS 10 3HZ LYS 10 -0.258 22.731 -2.255 100 HZ2 LYS 10 1HZ LYS 10 -1.229 22.597 -0.879 101 HZ3 LYS 10 2HZ LYS 10 -1.892 22.351 -2.413 102 H GLN 11 H GLN 11 4.878 16.952 -1.420 103 HA GLN 11 HA GLN 11 6.746 18.661 -2.593 104 HB2 GLN 11 2HB GLN 11 7.231 17.836 -0.427 105 HB3 GLN 11 1HB GLN 11 7.042 16.165 -0.936 106 HG2 GLN 11 2HG GLN 11 9.100 16.547 -2.388 107 HG3 GLN 11 1HG GLN 11 9.333 18.033 -1.463 108 HE21 GLN 11 1HE2 GLN 11 8.461 17.116 1.031 109 HE22 GLN 11 2HE2 GLN 11 9.612 15.969 1.619 110 H ALA 12 H ALA 12 5.888 15.339 -3.359 111 HA ALA 12 HA ALA 12 6.676 15.467 -6.023 112 HB1 ALA 12 1HB ALA 12 8.683 13.686 -4.857 113 HB2 ALA 12 2HB ALA 12 8.934 15.388 -4.485 114 HB3 ALA 12 3HB ALA 12 8.832 14.855 -6.165 115 H LYS 13 H LYS 13 6.970 13.173 -6.982 116 HA LYS 13 HA LYS 13 5.029 11.418 -5.629 117 HB2 LYS 13 2HB LYS 13 5.764 11.702 -8.547 118 HB3 LYS 13 1HB LYS 13 4.730 10.417 -7.923 119 HG2 LYS 13 2HG LYS 13 2.954 11.762 -7.774 120 HG3 LYS 13 1HG LYS 13 3.896 13.095 -7.109 121 HD2 LYS 13 2HD LYS 13 4.443 12.513 -9.929 122 HD3 LYS 13 1HD LYS 13 2.789 13.041 -9.605 123 HE2 LYS 13 2HE LYS 13 3.486 15.096 -8.748 124 HE3 LYS 13 1HE LYS 13 5.131 14.527 -8.464 125 HZ1 LYS 13 3HZ LYS 13 4.555 16.056 -10.489 126 HZ2 LYS 13 1HZ LYS 13 4.145 14.585 -11.217 127 HZ3 LYS 13 2HZ LYS 13 5.713 14.832 -10.629 128 H GLU 14 H GLU 14 5.838 9.674 -4.690 129 HA GLU 14 HA GLU 14 8.261 8.451 -5.834 130 HB2 GLU 14 2HB GLU 14 7.473 8.490 -2.921 131 HB3 GLU 14 1HB GLU 14 8.947 7.810 -3.594 132 HG2 GLU 14 2HG GLU 14 8.280 10.701 -3.939 133 HG3 GLU 14 1HG GLU 14 9.051 10.108 -2.470 134 H GLU 15 H GLU 15 8.382 6.220 -5.919 135 HA GLU 15 HA GLU 15 6.139 4.644 -4.942 136 HB2 GLU 15 2HB GLU 15 5.811 3.571 -7.160 137 HB3 GLU 15 1HB GLU 15 5.355 5.268 -7.136 138 HG2 GLU 15 2HG GLU 15 7.204 5.910 -8.395 139 HG3 GLU 15 1HG GLU 15 8.067 4.409 -8.059 140 H ALA 16 H ALA 16 6.636 2.487 -4.593 141 HA ALA 16 HA ALA 16 9.145 1.397 -5.536 142 HB1 ALA 16 1HB ALA 16 9.765 2.729 -3.524 143 HB2 ALA 16 2HB ALA 16 10.132 1.011 -3.390 144 HB3 ALA 16 3HB ALA 16 8.722 1.679 -2.566 145 H ILE 17 H ILE 17 9.486 -0.848 -4.432 146 HA ILE 17 HA ILE 17 6.895 -2.164 -3.997 147 HB ILE 17 HB ILE 17 7.523 -2.521 -6.341 148 HG12 ILE 17 2HG1 ILE 17 8.052 -5.225 -5.656 149 HG13 ILE 17 1HG1 ILE 17 7.022 -4.565 -4.391 150 HG21 ILE 17 1HG2 ILE 17 9.559 -3.165 -7.061 151 HG22 ILE 17 2HG2 ILE 17 9.834 -4.226 -5.679 152 HG23 ILE 17 3HG2 ILE 17 10.083 -2.486 -5.520 153 HD11 ILE 17 3HD1 ILE 17 6.235 -3.977 -7.171 154 HD12 ILE 17 1HD1 ILE 17 5.246 -4.355 -5.761 155 HD13 ILE 17 2HD1 ILE 17 6.074 -5.647 -6.629 156 H LYS 18 H LYS 18 6.891 -3.433 -2.256 157 HA LYS 18 HA LYS 18 9.438 -4.555 -1.305 158 HB2 LYS 18 2HB LYS 18 7.487 -3.739 0.769 159 HB3 LYS 18 1HB LYS 18 9.243 -3.710 0.804 160 HG2 LYS 18 2HG LYS 18 8.685 -1.772 -1.038 161 HG3 LYS 18 1HG LYS 18 7.338 -1.615 0.086 162 HD2 LYS 18 2HD LYS 18 8.736 -0.357 1.301 163 HD3 LYS 18 1HD LYS 18 9.475 -1.886 1.775 164 HE2 LYS 18 2HE LYS 18 11.223 -1.651 0.254 165 HE3 LYS 18 1HE LYS 18 10.341 -0.482 -0.724 166 HZ1 LYS 18 3HZ LYS 18 11.944 -0.071 1.659 167 HZ2 LYS 18 1HZ LYS 18 10.509 0.824 1.589 168 HZ3 LYS 18 2HZ LYS 18 11.658 0.967 0.357 169 H GLU 19 H GLU 19 9.351 -6.624 -0.594 170 HA GLU 19 HA GLU 19 6.833 -8.038 -0.959 171 HB2 GLU 19 2HB GLU 19 8.166 -10.067 -0.832 172 HB3 GLU 19 1HB GLU 19 8.896 -8.936 -1.964 173 HG2 GLU 19 2HG GLU 19 10.720 -9.707 -0.805 174 HG3 GLU 19 1HG GLU 19 10.335 -8.223 0.066 175 H LEU 20 H LEU 20 5.946 -9.463 0.603 176 HA LEU 20 HA LEU 20 6.932 -9.351 3.326 177 HG LEU 20 HG LEU 20 6.803 -7.095 3.645 178 HB2 LEU 20 2HB LEU 20 4.351 -8.082 2.455 179 HB3 LEU 20 1HB LEU 20 4.550 -8.695 4.090 180 HD11 LEU 20 1HD1 LEU 20 6.148 -5.800 1.912 181 HD12 LEU 20 2HD1 LEU 20 5.315 -4.923 3.195 182 HD13 LEU 20 3HD1 LEU 20 4.431 -6.083 2.203 183 HD21 LEU 20 3HD2 LEU 20 5.359 -5.516 5.174 184 HD22 LEU 20 1HD2 LEU 20 5.971 -7.056 5.774 185 HD23 LEU 20 2HD2 LEU 20 4.298 -6.922 5.237 186 H VAL 21 H VAL 21 4.901 -10.450 4.713 187 HA VAL 21 HA VAL 21 4.611 -13.052 3.406 188 HB VAL 21 HB VAL 21 3.898 -13.787 5.748 189 HG11 VAL 21 1HG1 VAL 21 6.202 -13.983 4.573 190 HG12 VAL 21 2HG1 VAL 21 6.082 -14.299 6.303 191 HG13 VAL 21 3HG1 VAL 21 6.702 -12.751 5.733 192 HG21 VAL 21 3HG2 VAL 21 3.954 -12.383 7.501 193 HG22 VAL 21 1HG2 VAL 21 3.811 -11.122 6.276 194 HG23 VAL 21 2HG2 VAL 21 5.397 -11.553 6.918 195 H ASP 22 H ASP 22 2.698 -10.459 4.813 196 HA ASP 22 HA ASP 22 0.339 -11.493 3.488 197 HB2 ASP 22 2HB ASP 22 0.622 -12.409 5.974 198 HB3 ASP 22 1HB ASP 22 -0.075 -10.837 6.367 199 H ALA 23 H ALA 23 -1.607 -9.936 4.140 200 HA ALA 23 HA ALA 23 -0.708 -7.307 3.402 201 HB1 ALA 23 1HB ALA 23 -3.535 -7.781 4.169 202 HB2 ALA 23 2HB ALA 23 -2.909 -8.612 2.744 203 HB3 ALA 23 3HB ALA 23 -2.859 -6.851 2.831 204 H ALA 24 H ALA 24 -2.410 -8.694 6.213 205 HA ALA 24 HA ALA 24 -2.807 -6.457 7.737 206 HB1 ALA 24 1HB ALA 24 -3.190 -7.869 9.464 207 HB2 ALA 24 2HB ALA 24 -1.678 -8.746 9.224 208 HB3 ALA 24 3HB ALA 24 -3.074 -9.097 8.205 209 H THR 25 H THR 25 0.142 -8.428 7.603 210 HA THR 25 HA THR 25 1.662 -6.686 9.255 211 HB THR 25 HB THR 25 2.320 -8.977 7.421 212 HG1 THR 25 1HG THR 25 2.830 -8.522 10.172 213 HG21 THR 25 3HG2 THR 25 4.657 -8.851 7.936 214 HG22 THR 25 1HG2 THR 25 4.412 -7.382 8.883 215 HG23 THR 25 2HG2 THR 25 4.161 -7.358 7.137 216 H ALA 26 H ALA 26 1.229 -7.066 5.763 217 HA ALA 26 HA ALA 26 3.185 -5.334 4.851 218 HB1 ALA 26 1HB ALA 26 0.395 -5.752 3.756 219 HB2 ALA 26 2HB ALA 26 1.842 -6.661 3.320 220 HB3 ALA 26 3HB ALA 26 1.713 -4.956 2.892 221 H GLU 27 H GLU 27 -0.146 -4.632 5.775 222 HA GLU 27 HA GLU 27 -0.194 -1.894 5.424 223 HB2 GLU 27 2HB GLU 27 -2.178 -3.237 5.946 224 HB3 GLU 27 1HB GLU 27 -1.549 -3.554 7.561 225 HG2 GLU 27 2HG GLU 27 -2.768 -1.812 8.204 226 HG3 GLU 27 1HG GLU 27 -1.538 -0.815 7.431 227 H LYS 28 H LYS 28 1.138 -3.821 8.049 228 HA LYS 28 HA LYS 28 1.540 -1.666 9.856 229 HB2 LYS 28 2HB LYS 28 3.060 -4.274 9.656 230 HB3 LYS 28 1HB LYS 28 3.070 -3.180 11.031 231 HG2 LYS 28 2HG LYS 28 0.529 -3.559 11.084 232 HG3 LYS 28 1HG LYS 28 0.870 -4.951 10.054 233 HD2 LYS 28 2HD LYS 28 2.248 -4.480 12.690 234 HD3 LYS 28 1HD LYS 28 0.763 -5.418 12.533 235 HE2 LYS 28 2HE LYS 28 1.811 -7.168 11.546 236 HE3 LYS 28 1HE LYS 28 2.967 -6.137 10.704 237 HZ1 LYS 28 3HZ LYS 28 3.476 -5.956 13.450 238 HZ2 LYS 28 1HZ LYS 28 4.458 -6.624 12.244 239 HZ3 LYS 28 2HZ LYS 28 3.343 -7.596 13.062 240 H TYR 29 H TYR 29 3.636 -3.294 7.521 241 HA TYR 29 HA TYR 29 5.858 -1.548 7.958 242 HD1 TYR 29 2HD TYR 29 6.302 -1.524 4.270 243 HD2 TYR 29 1HD TYR 29 8.463 -3.698 7.221 244 HE1 TYR 29 2HE TYR 29 8.408 -0.834 3.225 245 HE2 TYR 29 1HE TYR 29 10.582 -3.014 6.178 246 HH TYR 29 HH TYR 29 11.149 -2.216 3.514 247 HB2 TYR 29 2HB TYR 29 6.143 -3.865 7.168 248 HB3 TYR 29 1HB TYR 29 5.285 -3.455 5.681 249 H PHE 30 H PHE 30 3.849 -2.087 5.073 250 HA PHE 30 HA PHE 30 4.681 0.001 3.536 251 HD1 PHE 30 1HD PHE 30 5.083 -0.102 1.967 252 HD2 PHE 30 2HD PHE 30 1.524 -2.341 1.282 253 HE1 PHE 30 1HE PHE 30 5.880 -0.678 -0.281 254 HE2 PHE 30 2HE PHE 30 2.324 -2.917 -0.970 255 HZ PHE 30 HZ PHE 30 4.509 -2.092 -1.747 256 HB2 PHE 30 2HB PHE 30 2.387 -1.755 3.619 257 HB3 PHE 30 1HB PHE 30 1.906 -0.155 3.066 258 H LYS 31 H LYS 31 2.134 0.141 6.017 259 HA LYS 31 HA LYS 31 1.456 2.845 5.527 260 HB2 LYS 31 2HB LYS 31 0.051 1.187 6.793 261 HB3 LYS 31 1HB LYS 31 1.166 1.371 8.146 262 HG2 LYS 31 2HG LYS 31 -0.134 3.022 8.849 263 HG3 LYS 31 1HG LYS 31 0.474 3.971 7.490 264 HD2 LYS 31 2HD LYS 31 -1.642 4.095 6.789 265 HD3 LYS 31 1HD LYS 31 -1.504 2.388 6.366 266 HE2 LYS 31 2HE LYS 31 -2.146 1.964 8.831 267 HE3 LYS 31 1HE LYS 31 -2.694 3.640 8.818 268 HZ1 LYS 31 3HZ LYS 31 -3.843 2.697 6.597 269 HZ2 LYS 31 1HZ LYS 31 -4.598 2.717 8.111 270 HZ3 LYS 31 2HZ LYS 31 -3.854 1.303 7.555 271 H LEU 32 H LEU 32 3.697 1.314 7.809 272 HA LEU 32 HA LEU 32 4.458 3.678 9.142 273 HG LEU 32 HG LEU 32 4.939 2.993 11.082 274 HB2 LEU 32 2HB LEU 32 5.310 0.906 9.054 275 HB3 LEU 32 1HB LEU 32 6.675 1.991 9.210 276 HD11 LEU 32 1HD1 LEU 32 4.703 -0.007 11.074 277 HD12 LEU 32 2HD1 LEU 32 3.399 1.151 10.805 278 HD13 LEU 32 3HD1 LEU 32 4.182 1.055 12.383 279 HD21 LEU 32 3HD2 LEU 32 7.287 1.155 11.166 280 HD22 LEU 32 1HD2 LEU 32 6.419 1.518 12.659 281 HD23 LEU 32 2HD2 LEU 32 7.140 2.825 11.720 282 H TYR 33 H TYR 33 5.308 2.381 6.058 283 HA TYR 33 HA TYR 33 7.762 3.824 5.754 284 HD1 TYR 33 2HD TYR 33 5.889 4.315 2.258 285 HD2 TYR 33 1HD TYR 33 9.495 2.297 3.280 286 HE1 TYR 33 2HE TYR 33 6.971 5.245 0.256 287 HE2 TYR 33 1HE TYR 33 10.587 3.222 1.278 288 HH TYR 33 HH TYR 33 9.272 5.749 -0.531 289 HB2 TYR 33 2HB TYR 33 7.545 1.829 4.476 290 HB3 TYR 33 1HB TYR 33 5.968 2.314 3.851 291 H ALA 34 H ALA 34 4.510 4.162 4.343 292 HA ALA 34 HA ALA 34 5.024 6.585 3.007 293 HB1 ALA 34 1HB ALA 34 2.587 5.060 3.760 294 HB2 ALA 34 2HB ALA 34 3.169 5.553 2.169 295 HB3 ALA 34 3HB ALA 34 2.404 6.733 3.233 296 H ASN 35 H ASN 35 4.098 5.878 6.293 297 HA ASN 35 HA ASN 35 3.287 8.563 6.912 298 HB2 ASN 35 2HB ASN 35 3.387 5.987 8.287 299 HB3 ASN 35 1HB ASN 35 3.839 7.332 9.330 300 HD21 ASN 35 1HD2 ASN 35 2.317 8.788 9.960 301 HD22 ASN 35 2HD2 ASN 35 0.634 8.618 9.615 302 H ALA 36 H ALA 36 6.145 6.574 7.634 303 HA ALA 36 HA ALA 36 7.506 8.722 8.961 304 HB1 ALA 36 1HB ALA 36 7.760 6.048 9.079 305 HB2 ALA 36 2HB ALA 36 9.021 7.173 9.583 306 HB3 ALA 36 3HB ALA 36 9.086 6.435 7.983 307 H LYS 37 H LYS 37 8.051 7.003 5.883 308 HA LYS 37 HA LYS 37 10.175 8.566 4.983 309 HB2 LYS 37 2HB LYS 37 8.073 7.233 3.270 310 HB3 LYS 37 1HB LYS 37 9.697 7.691 2.771 311 HG2 LYS 37 2HG LYS 37 9.577 5.914 5.101 312 HG3 LYS 37 1HG LYS 37 8.976 5.217 3.598 313 HD2 LYS 37 2HD LYS 37 11.075 4.848 2.966 314 HD3 LYS 37 1HD LYS 37 11.354 6.589 2.955 315 HE2 LYS 37 2HE LYS 37 11.562 4.924 5.451 316 HE3 LYS 37 1HE LYS 37 12.929 5.195 4.372 317 HZ1 LYS 37 3HZ LYS 37 11.461 7.165 6.012 318 HZ2 LYS 37 1HZ LYS 37 12.391 7.653 4.688 319 HZ3 LYS 37 2HZ LYS 37 13.120 6.843 5.980 320 H THR 38 H THR 38 6.879 8.757 3.629 321 HA THR 38 HA THR 38 7.376 11.604 3.104 322 HB THR 38 HB THR 38 5.798 11.471 1.328 323 HG1 THR 38 1HG THR 38 4.133 10.250 1.584 324 HG21 THR 38 3HG2 THR 38 7.532 9.034 1.427 325 HG22 THR 38 1HG2 THR 38 7.750 10.516 0.493 326 HG23 THR 38 2HG2 THR 38 6.479 9.374 0.054 327 H VAL 39 H VAL 39 4.561 12.225 2.676 328 HA VAL 39 HA VAL 39 3.781 12.493 5.482 329 HB VAL 39 HB VAL 39 2.151 14.172 4.636 330 HG11 VAL 39 1HG1 VAL 39 3.841 15.877 4.032 331 HG12 VAL 39 2HG1 VAL 39 5.039 14.592 3.877 332 HG13 VAL 39 3HG1 VAL 39 4.294 14.922 5.442 333 HG21 VAL 39 3HG2 VAL 39 3.542 13.831 1.983 334 HG22 VAL 39 1HG2 VAL 39 2.203 14.916 2.361 335 HG23 VAL 39 2HG2 VAL 39 1.952 13.169 2.358 336 H GLU 40 H GLU 40 1.280 12.592 5.759 337 HA GLU 40 HA GLU 40 0.225 10.088 4.651 338 HB2 GLU 40 2HB GLU 40 -1.303 10.073 6.547 339 HB3 GLU 40 1HB GLU 40 0.357 10.242 7.104 340 HG2 GLU 40 2HG GLU 40 -0.008 12.670 7.345 341 HG3 GLU 40 1HG GLU 40 -1.690 12.432 6.876 342 H GLY 41 H GLY 41 -1.627 10.005 3.491 343 HA2 GLY 41 2HA GLY 41 -3.376 12.327 3.352 344 HA3 GLY 41 1HA GLY 41 -2.534 11.905 1.861 345 H VAL 42 H VAL 42 -4.343 11.323 0.694 346 HA VAL 42 HA VAL 42 -6.422 9.680 1.631 347 HB VAL 42 HB VAL 42 -6.652 11.051 -0.387 348 HG11 VAL 42 1HG1 VAL 42 -4.542 10.911 -1.411 349 HG12 VAL 42 2HG1 VAL 42 -5.644 10.088 -2.513 350 HG13 VAL 42 3HG1 VAL 42 -4.588 9.156 -1.453 351 HG21 VAL 42 3HG2 VAL 42 -6.983 8.139 -1.090 352 HG22 VAL 42 1HG2 VAL 42 -7.920 9.505 -1.685 353 HG23 VAL 42 2HG2 VAL 42 -8.059 9.009 0.001 354 H TRP 43 H TRP 43 -6.901 7.468 0.969 355 HA TRP 43 HA TRP 43 -4.497 5.852 0.519 356 HD1 TRP 43 HD TRP 43 -4.698 7.318 4.047 357 HE1 TRP 43 1HE TRP 43 -2.383 6.854 5.073 358 HE3 TRP 43 3HE TRP 43 -3.717 2.844 1.808 359 HZ2 TRP 43 2HZ TRP 43 -0.397 4.849 4.942 360 HZ3 TRP 43 3HZ TRP 43 -1.588 1.709 2.308 361 HH2 TRP 43 HH TRP 43 0.038 2.693 3.843 362 HB2 TRP 43 2HB TRP 43 -6.433 5.748 2.765 363 HB3 TRP 43 1HB TRP 43 -5.840 4.210 2.147 364 H THR 44 H THR 44 -4.716 4.161 -0.825 365 HA THR 44 HA THR 44 -7.368 3.212 -1.572 366 HB THR 44 HB THR 44 -5.640 3.589 -3.911 367 HG1 THR 44 1HG THR 44 -6.764 5.887 -2.695 368 HG21 THR 44 3HG2 THR 44 -8.186 3.017 -3.712 369 HG22 THR 44 1HG2 THR 44 -7.574 4.004 -5.038 370 HG23 THR 44 2HG2 THR 44 -8.350 4.773 -3.652 371 H TYR 45 H TYR 45 -7.332 1.135 -2.611 372 HA TYR 45 HA TYR 45 -4.745 -0.254 -2.429 373 HD1 TYR 45 1HD TYR 45 -3.878 -1.907 -0.467 374 HD2 TYR 45 2HD TYR 45 -7.334 -3.616 -2.267 375 HE1 TYR 45 1HE TYR 45 -2.805 -4.118 -0.411 376 HE2 TYR 45 2HE TYR 45 -6.270 -5.832 -2.215 377 HH TYR 45 HH TYR 45 -4.088 -6.786 -0.452 378 HB2 TYR 45 2HB TYR 45 -6.159 -0.766 -0.453 379 HB3 TYR 45 1HB TYR 45 -7.399 -1.391 -1.535 380 H LYS 46 H LYS 46 -4.405 -1.954 -3.861 381 HA LYS 46 HA LYS 46 -6.339 -2.124 -6.076 382 HB2 LYS 46 2HB LYS 46 -3.504 -1.548 -6.063 383 HB3 LYS 46 1HB LYS 46 -3.837 -2.979 -7.026 384 HG2 LYS 46 2HG LYS 46 -3.939 -1.181 -8.521 385 HG3 LYS 46 1HG LYS 46 -5.617 -1.603 -8.185 386 HD2 LYS 46 2HD LYS 46 -5.902 0.249 -6.748 387 HD3 LYS 46 1HD LYS 46 -4.166 0.554 -6.682 388 HE2 LYS 46 2HE LYS 46 -4.647 2.121 -8.227 389 HE3 LYS 46 1HE LYS 46 -4.587 0.753 -9.334 390 HZ1 LYS 46 3HZ LYS 46 -7.054 1.783 -8.039 391 HZ2 LYS 46 1HZ LYS 46 -6.968 0.538 -9.180 392 HZ3 LYS 46 2HZ LYS 46 -6.580 2.124 -9.620 393 H ASP 47 H ASP 47 -7.228 -4.051 -6.366 394 HA ASP 47 HA ASP 47 -6.114 -6.360 -4.976 395 HB2 ASP 47 2HB ASP 47 -8.734 -6.182 -6.460 396 HB3 ASP 47 1HB ASP 47 -8.249 -7.409 -5.288 397 H GLU 48 H GLU 48 -4.942 -5.260 -7.482 398 HA GLU 48 HA GLU 48 -5.472 -7.390 -9.409 399 HB2 GLU 48 2HB GLU 48 -5.010 -4.770 -9.811 400 HB3 GLU 48 1HB GLU 48 -3.361 -5.372 -9.932 401 HG2 GLU 48 2HG GLU 48 -3.716 -6.170 -11.963 402 HG3 GLU 48 1HG GLU 48 -5.177 -7.010 -11.451 403 H THR 49 H THR 49 -2.986 -6.245 -7.227 404 HA THR 49 HA THR 49 -1.696 -8.792 -7.205 405 HB THR 49 HB THR 49 0.019 -6.530 -8.208 406 HG1 THR 49 1HG THR 49 -1.065 -6.761 -10.001 407 HG21 THR 49 3HG2 THR 49 1.322 -8.291 -7.312 408 HG22 THR 49 1HG2 THR 49 1.396 -8.425 -9.067 409 HG23 THR 49 2HG2 THR 49 0.360 -9.513 -8.146 410 H LYS 50 H LYS 50 -2.910 -6.924 -5.354 411 HA LYS 50 HA LYS 50 -2.588 -6.106 -3.257 412 HB2 LYS 50 2HB LYS 50 -0.304 -7.992 -3.600 413 HB3 LYS 50 1HB LYS 50 -0.284 -6.915 -2.212 414 HG2 LYS 50 2HG LYS 50 -2.218 -7.859 -1.305 415 HG3 LYS 50 1HG LYS 50 -2.673 -8.615 -2.832 416 HD2 LYS 50 2HD LYS 50 -0.551 -9.995 -2.608 417 HD3 LYS 50 1HD LYS 50 -0.458 -9.397 -0.948 418 HE2 LYS 50 2HE LYS 50 -1.611 -11.342 -0.611 419 HE3 LYS 50 1HE LYS 50 -2.954 -10.229 -0.867 420 HZ1 LYS 50 3HZ LYS 50 -1.993 -12.395 -2.550 421 HZ2 LYS 50 1HZ LYS 50 -2.485 -10.994 -3.362 422 HZ3 LYS 50 2HZ LYS 50 -3.561 -11.804 -2.338 423 H THR 51 H THR 51 -2.449 -3.956 -4.088 424 HA THR 51 HA THR 51 0.187 -2.778 -3.649 425 HB THR 51 HB THR 51 -1.501 -2.250 -6.100 426 HG1 THR 51 1HG THR 51 -0.370 -3.933 -6.702 427 HG21 THR 51 3HG2 THR 51 0.930 -1.116 -6.575 428 HG22 THR 51 1HG2 THR 51 0.649 -0.701 -4.885 429 HG23 THR 51 2HG2 THR 51 -0.533 -0.246 -6.110 430 H PHE 52 H PHE 52 0.102 -0.996 -2.447 431 HA PHE 52 HA PHE 52 -2.520 0.149 -1.840 432 HD1 PHE 52 1HD PHE 52 0.046 -2.136 -0.404 433 HD2 PHE 52 2HD PHE 52 -2.846 0.379 1.445 434 HE1 PHE 52 1HE PHE 52 -0.670 -4.012 1.019 435 HE2 PHE 52 2HE PHE 52 -3.564 -1.491 2.873 436 HZ PHE 52 HZ PHE 52 -2.476 -3.691 2.662 437 HB2 PHE 52 2HB PHE 52 0.167 0.385 -0.478 438 HB3 PHE 52 1HB PHE 52 -1.253 1.310 0.014 439 H THR 53 H THR 53 -2.822 2.461 -1.812 440 HA THR 53 HA THR 53 -0.849 4.035 -3.284 441 HB THR 53 HB THR 53 -3.737 4.119 -4.123 442 HG1 THR 53 1HG THR 53 -2.966 2.014 -4.509 443 HG21 THR 53 3HG2 THR 53 -1.358 5.513 -4.910 444 HG22 THR 53 1HG2 THR 53 -3.030 5.781 -5.392 445 HG23 THR 53 2HG2 THR 53 -2.036 4.618 -6.269 446 H VAL 54 H VAL 54 -0.439 5.625 -1.904 447 HA VAL 54 HA VAL 54 -2.717 7.107 -0.768 448 HB VAL 54 HB VAL 54 -1.781 5.906 1.079 449 HG11 VAL 54 1HG1 VAL 54 0.885 6.895 0.097 450 HG12 VAL 54 2HG1 VAL 54 0.325 5.228 0.203 451 HG13 VAL 54 3HG1 VAL 54 0.635 6.147 1.674 452 HG21 VAL 54 3HG2 VAL 54 -1.966 7.711 2.365 453 HG22 VAL 54 1HG2 VAL 54 -1.750 8.735 0.946 454 HG23 VAL 54 2HG2 VAL 54 -0.351 8.240 1.899 455 H THR 55 H THR 55 -2.637 9.285 -1.046 456 HA THR 55 HA THR 55 -0.087 10.494 -1.822 457 HB THR 55 HB THR 55 -0.964 10.159 -3.952 458 HG1 THR 55 1HG THR 55 -0.531 12.427 -3.444 459 HG21 THR 55 3HG2 THR 55 -3.663 11.180 -3.178 460 HG22 THR 55 1HG2 THR 55 -3.239 9.471 -3.097 461 HG23 THR 55 2HG2 THR 55 -3.183 10.322 -4.641 462 H GLU 56 H GLU 56 -0.002 12.800 -1.577 463 HA GLU 56 HA GLU 56 -2.103 13.877 0.183 464 HB2 GLU 56 2HB GLU 56 0.155 13.267 1.267 465 HB3 GLU 56 1HB GLU 56 0.791 14.662 0.410 466 HG2 GLU 56 2HG GLU 56 -1.656 15.109 1.985 467 HG3 GLU 56 1HG GLU 56 -0.185 14.761 2.899 Start of MODEL 16 1 HA THR 1 HA THR 1 5.429 -12.646 -2.266 2 HB THR 1 HB THR 1 3.141 -11.138 -2.684 3 HG1 THR 1 1HG THR 1 1.567 -12.210 -1.403 4 H1 THR 1 1HT THR 1 5.852 -12.681 -0.018 5 H2 THR 1 2HT THR 1 4.277 -13.341 -0.199 6 H3 THR 1 3HT THR 1 4.478 -11.726 0.352 7 HG21 THR 1 3HG2 THR 1 2.088 -13.165 -3.449 8 HG22 THR 1 1HG2 THR 1 3.275 -14.140 -2.584 9 HG23 THR 1 2HG2 THR 1 3.781 -13.139 -3.945 10 H THR 2 H THR 2 5.051 -10.577 -3.740 11 HA THR 2 HA THR 2 6.575 -8.452 -2.453 12 HB THR 2 HB THR 2 7.320 -9.392 -4.630 13 HG1 THR 2 1HG THR 2 7.691 -7.144 -3.957 14 HG21 THR 2 3HG2 THR 2 5.045 -9.716 -5.604 15 HG22 THR 2 1HG2 THR 2 6.202 -8.914 -6.666 16 HG23 THR 2 2HG2 THR 2 4.966 -7.970 -5.839 17 H TYR 3 H TYR 3 5.607 -6.719 -1.663 18 HA TYR 3 HA TYR 3 2.918 -6.036 -2.614 19 HD1 TYR 3 2HD TYR 3 0.921 -4.619 -0.806 20 HD2 TYR 3 1HD TYR 3 3.240 -7.922 0.535 21 HE1 TYR 3 2HE TYR 3 -1.139 -5.781 -0.124 22 HE2 TYR 3 1HE TYR 3 1.190 -9.094 1.218 23 HH TYR 3 HH TYR 3 -1.668 -8.543 0.191 24 HB2 TYR 3 2HB TYR 3 4.303 -5.866 -0.027 25 HB3 TYR 3 1HB TYR 3 3.359 -4.433 -0.434 26 H LYS 4 H LYS 4 2.464 -4.111 -3.572 27 HA LYS 4 HA LYS 4 4.751 -2.303 -4.008 28 HB2 LYS 4 2HB LYS 4 3.346 -3.630 -5.909 29 HB3 LYS 4 1HB LYS 4 2.440 -2.125 -5.838 30 HG2 LYS 4 2HG LYS 4 5.009 -1.222 -5.915 31 HG3 LYS 4 1HG LYS 4 5.106 -2.677 -6.908 32 HD2 LYS 4 2HD LYS 4 4.330 -1.424 -8.586 33 HD3 LYS 4 1HD LYS 4 2.771 -1.465 -7.756 34 HE2 LYS 4 2HE LYS 4 3.269 0.816 -8.227 35 HE3 LYS 4 1HE LYS 4 3.487 0.573 -6.494 36 HZ1 LYS 4 3HZ LYS 4 5.949 0.084 -7.368 37 HZ2 LYS 4 1HZ LYS 4 5.419 1.625 -6.904 38 HZ3 LYS 4 2HZ LYS 4 5.453 1.199 -8.541 39 H LEU 5 H LEU 5 4.589 -0.199 -3.501 40 HA LEU 5 HA LEU 5 1.943 0.860 -2.776 41 HG LEU 5 HG LEU 5 3.291 3.320 -1.275 42 HB2 LEU 5 2HB LEU 5 3.010 0.370 -0.692 43 HB3 LEU 5 1HB LEU 5 4.511 1.125 -1.218 44 HD11 LEU 5 1HD1 LEU 5 1.019 2.280 -1.441 45 HD12 LEU 5 2HD1 LEU 5 1.171 3.543 -0.221 46 HD13 LEU 5 3HD1 LEU 5 1.164 1.849 0.265 47 HD21 LEU 5 3HD2 LEU 5 3.704 1.738 1.230 48 HD22 LEU 5 1HD2 LEU 5 3.079 3.385 1.310 49 HD23 LEU 5 2HD2 LEU 5 4.655 3.074 0.579 50 H ILE 6 H ILE 6 1.534 2.943 -3.357 51 HA ILE 6 HA ILE 6 3.693 4.393 -4.739 52 HB ILE 6 HB ILE 6 2.336 3.630 -6.506 53 HG12 ILE 6 2HG1 ILE 6 1.123 6.330 -5.914 54 HG13 ILE 6 1HG1 ILE 6 2.799 6.141 -6.416 55 HG21 ILE 6 1HG2 ILE 6 -0.087 3.722 -6.536 56 HG22 ILE 6 2HG2 ILE 6 -0.101 4.501 -4.954 57 HG23 ILE 6 3HG2 ILE 6 0.470 2.839 -5.114 58 HD11 ILE 6 3HD1 ILE 6 0.377 5.298 -7.987 59 HD12 ILE 6 1HD1 ILE 6 2.053 5.092 -8.492 60 HD13 ILE 6 2HD1 ILE 6 1.385 6.711 -8.298 61 H LEU 7 H LEU 7 3.950 6.485 -4.188 62 HA LEU 7 HA LEU 7 1.820 7.755 -2.614 63 HG LEU 7 HG LEU 7 2.573 6.452 -0.768 64 HB2 LEU 7 2HB LEU 7 4.784 7.849 -2.087 65 HB3 LEU 7 1HB LEU 7 3.618 8.942 -1.341 66 HD11 LEU 7 1HD1 LEU 7 4.810 5.534 0.377 67 HD12 LEU 7 2HD1 LEU 7 5.506 6.254 -1.078 68 HD13 LEU 7 3HD1 LEU 7 4.261 5.014 -1.217 69 HD21 LEU 7 3HD2 LEU 7 2.612 7.340 1.271 70 HD22 LEU 7 1HD2 LEU 7 3.486 8.705 0.581 71 HD23 LEU 7 2HD2 LEU 7 4.374 7.364 1.301 72 H ASN 8 H ASN 8 1.271 9.774 -3.173 73 HA ASN 8 HA ASN 8 2.956 11.130 -5.175 74 HB2 ASN 8 2HB ASN 8 0.284 10.276 -5.435 75 HB3 ASN 8 1HB ASN 8 0.211 12.025 -5.245 76 HD21 ASN 8 1HD2 ASN 8 -0.176 10.100 -7.548 77 HD22 ASN 8 2HD2 ASN 8 0.793 10.772 -8.821 78 H LEU 9 H LEU 9 4.071 12.433 -3.766 79 HA LEU 9 HA LEU 9 2.597 14.073 -1.864 80 HG LEU 9 HG LEU 9 4.219 12.199 -0.597 81 HB2 LEU 9 2HB LEU 9 5.465 13.434 -2.348 82 HB3 LEU 9 1HB LEU 9 5.078 14.939 -1.531 83 HD11 LEU 9 1HD1 LEU 9 6.629 13.824 -0.100 84 HD12 LEU 9 2HD1 LEU 9 6.414 12.079 -0.062 85 HD13 LEU 9 3HD1 LEU 9 5.889 13.066 1.302 86 HD21 LEU 9 3HD2 LEU 9 3.073 14.619 -0.028 87 HD22 LEU 9 1HD2 LEU 9 4.239 14.437 1.284 88 HD23 LEU 9 2HD2 LEU 9 3.018 13.194 1.010 89 H LYS 10 H LYS 10 3.306 16.426 -1.714 90 HA LYS 10 HA LYS 10 2.656 17.693 -4.184 91 HB2 LYS 10 2HB LYS 10 2.993 18.471 -1.386 92 HB3 LYS 10 1HB LYS 10 3.558 19.705 -2.512 93 HG2 LYS 10 2HG LYS 10 0.911 18.483 -3.050 94 HG3 LYS 10 1HG LYS 10 1.047 19.582 -1.673 95 HD2 LYS 10 2HD LYS 10 2.033 20.301 -4.416 96 HD3 LYS 10 1HD LYS 10 0.392 20.639 -3.881 97 HE2 LYS 10 2HE LYS 10 2.833 21.555 -2.380 98 HE3 LYS 10 1HE LYS 10 2.045 22.531 -3.628 99 HZ1 LYS 10 3HZ LYS 10 1.412 22.665 -1.055 100 HZ2 LYS 10 1HZ LYS 10 0.314 21.481 -1.546 101 HZ3 LYS 10 2HZ LYS 10 0.315 22.997 -2.296 102 H GLN 11 H GLN 11 5.609 17.029 -2.455 103 HA GLN 11 HA GLN 11 7.215 18.843 -3.998 104 HB2 GLN 11 2HB GLN 11 8.000 18.405 -1.801 105 HB3 GLN 11 1HB GLN 11 7.837 16.663 -2.003 106 HG2 GLN 11 2HG GLN 11 9.679 16.891 -3.775 107 HG3 GLN 11 1HG GLN 11 9.953 18.496 -3.089 108 HE21 GLN 11 1HE2 GLN 11 11.149 18.675 -1.308 109 HE22 GLN 11 2HE2 GLN 11 11.745 17.350 -0.372 110 H ALA 12 H ALA 12 7.027 15.285 -3.789 111 HA ALA 12 HA ALA 12 7.407 15.063 -6.646 112 HB1 ALA 12 1HB ALA 12 9.348 13.402 -6.215 113 HB2 ALA 12 2HB ALA 12 9.534 14.278 -4.695 114 HB3 ALA 12 3HB ALA 12 9.686 15.134 -6.224 115 H LYS 13 H LYS 13 7.273 12.797 -7.389 116 HA LYS 13 HA LYS 13 5.321 11.362 -5.770 117 HB2 LYS 13 2HB LYS 13 4.949 11.856 -8.214 118 HB3 LYS 13 1HB LYS 13 6.242 10.718 -8.570 119 HG2 LYS 13 2HG LYS 13 5.011 8.892 -7.881 120 HG3 LYS 13 1HG LYS 13 3.911 9.873 -6.913 121 HD2 LYS 13 2HD LYS 13 2.643 9.279 -8.784 122 HD3 LYS 13 1HD LYS 13 3.190 10.917 -9.143 123 HE2 LYS 13 2HE LYS 13 4.502 10.239 -10.846 124 HE3 LYS 13 1HE LYS 13 4.976 8.753 -10.035 125 HZ1 LYS 13 3HZ LYS 13 3.281 7.613 -10.955 126 HZ2 LYS 13 1HZ LYS 13 3.367 8.820 -12.141 127 HZ3 LYS 13 2HZ LYS 13 2.210 8.921 -10.912 128 H GLU 14 H GLU 14 5.829 9.651 -4.582 129 HA GLU 14 HA GLU 14 8.389 8.291 -5.106 130 HB2 GLU 14 2HB GLU 14 6.840 8.381 -2.516 131 HB3 GLU 14 1HB GLU 14 8.437 7.691 -2.757 132 HG2 GLU 14 2HG GLU 14 7.954 10.573 -3.358 133 HG3 GLU 14 1HG GLU 14 8.182 10.042 -1.694 134 H GLU 15 H GLU 15 8.425 6.162 -5.518 135 HA GLU 15 HA GLU 15 6.115 4.508 -4.884 136 HB2 GLU 15 2HB GLU 15 7.074 5.070 -7.681 137 HB3 GLU 15 1HB GLU 15 6.212 3.589 -7.285 138 HG2 GLU 15 2HG GLU 15 4.274 4.810 -6.622 139 HG3 GLU 15 1HG GLU 15 5.132 6.344 -6.754 140 H ALA 16 H ALA 16 6.702 2.484 -4.321 141 HA ALA 16 HA ALA 16 9.144 1.301 -5.327 142 HB1 ALA 16 1HB ALA 16 9.635 0.857 -2.701 143 HB2 ALA 16 2HB ALA 16 8.978 2.493 -2.647 144 HB3 ALA 16 3HB ALA 16 10.385 2.140 -3.651 145 H ILE 17 H ILE 17 9.496 -0.907 -4.254 146 HA ILE 17 HA ILE 17 6.897 -2.153 -3.640 147 HB ILE 17 HB ILE 17 7.534 -2.695 -5.942 148 HG12 ILE 17 2HG1 ILE 17 8.026 -5.336 -5.190 149 HG13 ILE 17 1HG1 ILE 17 7.163 -4.648 -3.818 150 HG21 ILE 17 1HG2 ILE 17 9.545 -4.030 -6.397 151 HG22 ILE 17 2HG2 ILE 17 10.037 -3.842 -4.715 152 HG23 ILE 17 3HG2 ILE 17 9.933 -2.431 -5.767 153 HD11 ILE 17 3HD1 ILE 17 6.170 -4.365 -6.632 154 HD12 ILE 17 1HD1 ILE 17 5.285 -4.138 -5.121 155 HD13 ILE 17 2HD1 ILE 17 5.777 -5.757 -5.621 156 H LYS 18 H LYS 18 6.866 -3.499 -1.923 157 HA LYS 18 HA LYS 18 9.437 -4.364 -0.782 158 HB2 LYS 18 2HB LYS 18 7.280 -3.761 1.151 159 HB3 LYS 18 1HB LYS 18 9.015 -3.516 1.286 160 HG2 LYS 18 2HG LYS 18 7.630 -1.754 -0.628 161 HG3 LYS 18 1HG LYS 18 7.208 -1.531 1.069 162 HD2 LYS 18 2HD LYS 18 8.995 -0.101 0.848 163 HD3 LYS 18 1HD LYS 18 9.791 -1.565 1.424 164 HE2 LYS 18 2HE LYS 18 10.608 -2.091 -0.711 165 HE3 LYS 18 1HE LYS 18 9.497 -0.977 -1.504 166 HZ1 LYS 18 3HZ LYS 18 12.037 -0.401 -1.043 167 HZ2 LYS 18 1HZ LYS 18 11.365 0.193 0.393 168 HZ3 LYS 18 2HZ LYS 18 10.827 0.781 -1.098 169 H GLU 19 H GLU 19 9.502 -6.421 -0.022 170 HA GLU 19 HA GLU 19 7.243 -8.124 -0.630 171 HB2 GLU 19 2HB GLU 19 10.066 -8.438 -0.479 172 HB3 GLU 19 1HB GLU 19 9.348 -9.556 0.672 173 HG2 GLU 19 2HG GLU 19 7.808 -9.791 -1.642 174 HG3 GLU 19 1HG GLU 19 9.479 -9.708 -2.193 175 H LEU 20 H LEU 20 6.052 -9.323 0.821 176 HA LEU 20 HA LEU 20 6.632 -9.119 3.667 177 HG LEU 20 HG LEU 20 4.456 -6.284 4.285 178 HB2 LEU 20 2HB LEU 20 4.253 -7.887 2.327 179 HB3 LEU 20 1HB LEU 20 4.072 -8.566 3.934 180 HD11 LEU 20 1HD1 LEU 20 7.251 -7.334 4.541 181 HD12 LEU 20 2HD1 LEU 20 5.945 -7.926 5.565 182 HD13 LEU 20 3HD1 LEU 20 6.381 -6.217 5.594 183 HD21 LEU 20 3HD2 LEU 20 5.409 -4.976 2.772 184 HD22 LEU 20 1HD2 LEU 20 5.803 -6.403 1.815 185 HD23 LEU 20 2HD2 LEU 20 6.960 -5.786 2.995 186 H VAL 21 H VAL 21 4.555 -10.260 4.831 187 HA VAL 21 HA VAL 21 4.490 -12.915 3.618 188 HB VAL 21 HB VAL 21 3.424 -12.100 6.321 189 HG11 VAL 21 1HG1 VAL 21 2.968 -14.388 4.972 190 HG12 VAL 21 2HG1 VAL 21 3.048 -14.287 6.730 191 HG13 VAL 21 3HG1 VAL 21 4.459 -14.812 5.812 192 HG21 VAL 21 3HG2 VAL 21 6.164 -13.140 5.606 193 HG22 VAL 21 1HG2 VAL 21 5.544 -12.925 7.243 194 HG23 VAL 21 2HG2 VAL 21 5.782 -11.525 6.197 195 H ASP 22 H ASP 22 2.376 -10.270 4.467 196 HA ASP 22 HA ASP 22 0.307 -11.257 2.746 197 HB2 ASP 22 2HB ASP 22 0.192 -11.977 5.500 198 HB3 ASP 22 1HB ASP 22 -1.072 -10.784 5.206 199 H ALA 23 H ALA 23 -1.818 -9.706 3.707 200 HA ALA 23 HA ALA 23 -0.851 -7.073 2.991 201 HB1 ALA 23 1HB ALA 23 -3.001 -6.526 2.470 202 HB2 ALA 23 2HB ALA 23 -3.689 -7.534 3.742 203 HB3 ALA 23 3HB ALA 23 -3.076 -8.274 2.263 204 H ALA 24 H ALA 24 -2.356 -8.641 5.787 205 HA ALA 24 HA ALA 24 -2.799 -6.472 7.427 206 HB1 ALA 24 1HB ALA 24 -2.027 -8.183 9.286 207 HB2 ALA 24 2HB ALA 24 -2.077 -9.316 7.936 208 HB3 ALA 24 3HB ALA 24 -3.528 -8.420 8.388 209 H THR 25 H THR 25 0.200 -8.327 7.023 210 HA THR 25 HA THR 25 1.727 -6.651 8.739 211 HB THR 25 HB THR 25 2.274 -9.064 8.046 212 HG1 THR 25 1HG THR 25 3.786 -7.868 9.173 213 HG21 THR 25 3HG2 THR 25 3.657 -7.783 5.722 214 HG22 THR 25 1HG2 THR 25 2.086 -8.570 5.575 215 HG23 THR 25 2HG2 THR 25 3.490 -9.495 6.107 216 H ALA 26 H ALA 26 1.182 -6.824 5.253 217 HA ALA 26 HA ALA 26 3.027 -4.956 4.368 218 HB1 ALA 26 1HB ALA 26 1.686 -6.218 2.800 219 HB2 ALA 26 2HB ALA 26 1.412 -4.497 2.523 220 HB3 ALA 26 3HB ALA 26 0.208 -5.456 3.389 221 H GLU 27 H GLU 27 -0.329 -4.410 5.332 222 HA GLU 27 HA GLU 27 -0.466 -1.673 5.228 223 HB2 GLU 27 2HB GLU 27 -1.738 -3.718 7.025 224 HB3 GLU 27 1HB GLU 27 -2.079 -2.005 7.243 225 HG2 GLU 27 2HG GLU 27 -2.641 -2.064 4.706 226 HG3 GLU 27 1HG GLU 27 -2.790 -3.801 4.970 227 H LYS 28 H LYS 28 1.003 -3.723 7.667 228 HA LYS 28 HA LYS 28 1.410 -1.626 9.571 229 HB2 LYS 28 2HB LYS 28 2.006 -4.478 9.359 230 HB3 LYS 28 1HB LYS 28 3.301 -3.574 10.136 231 HG2 LYS 28 2HG LYS 28 2.082 -3.146 11.978 232 HG3 LYS 28 1HG LYS 28 0.577 -2.964 11.075 233 HD2 LYS 28 2HD LYS 28 0.396 -4.914 12.460 234 HD3 LYS 28 1HD LYS 28 0.530 -5.440 10.781 235 HE2 LYS 28 2HE LYS 28 3.075 -5.571 11.309 236 HE3 LYS 28 1HE LYS 28 2.543 -5.605 12.989 237 HZ1 LYS 28 3HZ LYS 28 1.682 -7.507 10.877 238 HZ2 LYS 28 1HZ LYS 28 1.203 -7.548 12.499 239 HZ3 LYS 28 2HZ LYS 28 2.819 -7.833 12.087 240 H TYR 29 H TYR 29 3.440 -3.256 7.182 241 HA TYR 29 HA TYR 29 5.740 -1.636 7.715 242 HD1 TYR 29 1HD TYR 29 6.054 -1.605 3.936 243 HD2 TYR 29 2HD TYR 29 8.328 -3.732 6.835 244 HE1 TYR 29 1HE TYR 29 8.116 -0.938 2.792 245 HE2 TYR 29 2HE TYR 29 10.405 -3.071 5.696 246 HH TYR 29 HH TYR 29 11.118 -2.357 3.431 247 HB2 TYR 29 2HB TYR 29 6.005 -3.906 6.865 248 HB3 TYR 29 1HB TYR 29 5.083 -3.493 5.418 249 H PHE 30 H PHE 30 3.611 -1.936 4.880 250 HA PHE 30 HA PHE 30 4.595 0.171 3.412 251 HD1 PHE 30 1HD PHE 30 5.093 -0.060 1.887 252 HD2 PHE 30 2HD PHE 30 1.407 -2.025 1.041 253 HE1 PHE 30 1HE PHE 30 5.958 -0.730 -0.308 254 HE2 PHE 30 2HE PHE 30 2.274 -2.691 -1.160 255 HZ PHE 30 HZ PHE 30 4.554 -2.050 -1.836 256 HB2 PHE 30 2HB PHE 30 2.196 -1.479 3.415 257 HB3 PHE 30 1HB PHE 30 1.869 0.143 2.826 258 H LYS 31 H LYS 31 2.401 0.264 6.132 259 HA LYS 31 HA LYS 31 1.651 3.008 5.705 260 HB2 LYS 31 2HB LYS 31 0.146 1.482 6.889 261 HB3 LYS 31 1HB LYS 31 1.355 1.259 8.152 262 HG2 LYS 31 2HG LYS 31 1.035 3.382 9.014 263 HG3 LYS 31 1HG LYS 31 0.324 3.991 7.518 264 HD2 LYS 31 2HD LYS 31 -1.606 2.421 7.934 265 HD3 LYS 31 1HD LYS 31 -0.924 2.140 9.537 266 HE2 LYS 31 2HE LYS 31 -1.374 4.287 10.250 267 HE3 LYS 31 1HE LYS 31 -1.394 4.938 8.612 268 HZ1 LYS 31 3HZ LYS 31 -3.605 4.911 9.000 269 HZ2 LYS 31 1HZ LYS 31 -3.523 3.645 10.123 270 HZ3 LYS 31 2HZ LYS 31 -3.463 3.312 8.464 271 H LEU 32 H LEU 32 4.061 1.267 7.554 272 HA LEU 32 HA LEU 32 4.922 3.466 9.132 273 HG LEU 32 HG LEU 32 5.685 2.680 10.932 274 HB2 LEU 32 2HB LEU 32 5.628 0.704 8.775 275 HB3 LEU 32 1HB LEU 32 7.081 1.681 8.777 276 HD11 LEU 32 1HD1 LEU 32 5.234 0.499 12.207 277 HD12 LEU 32 2HD1 LEU 32 5.127 -0.243 10.609 278 HD13 LEU 32 3HD1 LEU 32 4.023 1.059 11.052 279 HD21 LEU 32 3HD2 LEU 32 7.893 2.407 11.358 280 HD22 LEU 32 1HD2 LEU 32 7.982 0.866 10.507 281 HD23 LEU 32 2HD2 LEU 32 7.315 0.938 12.138 282 H TYR 33 H TYR 33 5.509 2.491 5.872 283 HA TYR 33 HA TYR 33 7.940 4.015 5.578 284 HD1 TYR 33 2HD TYR 33 5.939 4.468 2.089 285 HD2 TYR 33 1HD TYR 33 9.722 2.790 3.088 286 HE1 TYR 33 2HE TYR 33 6.934 5.556 0.122 287 HE2 TYR 33 1HE TYR 33 10.726 3.875 1.122 288 HH TYR 33 HH TYR 33 9.081 6.271 -0.698 289 HB2 TYR 33 2HB TYR 33 7.788 2.064 4.221 290 HB3 TYR 33 1HB TYR 33 6.177 2.500 3.648 291 H ALA 34 H ALA 34 4.626 4.242 4.284 292 HA ALA 34 HA ALA 34 5.000 6.750 3.052 293 HB1 ALA 34 1HB ALA 34 2.629 5.098 3.778 294 HB2 ALA 34 2HB ALA 34 3.196 5.620 2.192 295 HB3 ALA 34 3HB ALA 34 2.392 6.768 3.264 296 H ASN 35 H ASN 35 4.222 5.829 6.315 297 HA ASN 35 HA ASN 35 3.275 8.438 7.083 298 HB2 ASN 35 2HB ASN 35 2.532 6.298 8.174 299 HB3 ASN 35 1HB ASN 35 4.136 6.167 8.881 300 HD21 ASN 35 1HD2 ASN 35 3.971 6.619 10.955 301 HD22 ASN 35 2HD2 ASN 35 3.129 7.964 11.636 302 H ALA 36 H ALA 36 6.271 6.594 7.405 303 HA ALA 36 HA ALA 36 7.551 8.793 8.824 304 HB1 ALA 36 1HB ALA 36 9.185 7.319 9.443 305 HB2 ALA 36 2HB ALA 36 9.063 6.384 7.954 306 HB3 ALA 36 3HB ALA 36 7.839 6.204 9.212 307 H LYS 37 H LYS 37 8.405 6.815 5.976 308 HA LYS 37 HA LYS 37 10.396 8.464 4.980 309 HB2 LYS 37 2HB LYS 37 9.176 6.102 4.193 310 HB3 LYS 37 1HB LYS 37 8.836 7.204 2.865 311 HG2 LYS 37 2HG LYS 37 10.828 6.504 2.118 312 HG3 LYS 37 1HG LYS 37 11.456 7.704 3.247 313 HD2 LYS 37 2HD LYS 37 12.056 6.110 4.813 314 HD3 LYS 37 1HD LYS 37 10.906 4.921 4.192 315 HE2 LYS 37 2HE LYS 37 13.117 4.207 3.610 316 HE3 LYS 37 1HE LYS 37 12.304 4.742 2.139 317 HZ1 LYS 37 3HZ LYS 37 14.747 5.525 2.849 318 HZ2 LYS 37 1HZ LYS 37 13.834 6.772 3.536 319 HZ3 LYS 37 2HZ LYS 37 13.718 6.452 1.879 320 H THR 38 H THR 38 6.920 8.749 4.682 321 HA THR 38 HA THR 38 7.299 11.371 3.453 322 HB THR 38 HB THR 38 5.774 11.003 1.674 323 HG1 THR 38 1HG THR 38 4.159 9.772 2.241 324 HG21 THR 38 3HG2 THR 38 7.891 10.086 1.074 325 HG22 THR 38 1HG2 THR 38 6.628 9.013 0.469 326 HG23 THR 38 2HG2 THR 38 7.534 8.578 1.920 327 H VAL 39 H VAL 39 4.434 11.699 2.951 328 HA VAL 39 HA VAL 39 3.529 11.925 5.744 329 HB VAL 39 HB VAL 39 2.231 13.521 3.590 330 HG11 VAL 39 1HG1 VAL 39 1.232 14.071 5.544 331 HG12 VAL 39 2HG1 VAL 39 2.591 15.192 5.652 332 HG13 VAL 39 3HG1 VAL 39 2.646 13.653 6.512 333 HG21 VAL 39 3HG2 VAL 39 3.911 15.264 3.687 334 HG22 VAL 39 1HG2 VAL 39 4.643 13.761 3.126 335 HG23 VAL 39 2HG2 VAL 39 4.890 14.293 4.787 336 H GLU 40 H GLU 40 1.020 12.093 5.839 337 HA GLU 40 HA GLU 40 -0.016 9.709 4.499 338 HB2 GLU 40 2HB GLU 40 -0.130 10.332 7.086 339 HB3 GLU 40 1HB GLU 40 -1.591 11.164 6.569 340 HG2 GLU 40 2HG GLU 40 -2.272 8.967 5.493 341 HG3 GLU 40 1HG GLU 40 -0.962 8.238 6.419 342 H GLY 41 H GLY 41 -2.191 9.713 3.615 343 HA2 GLY 41 2HA GLY 41 -3.553 12.173 3.112 344 HA3 GLY 41 1HA GLY 41 -2.656 11.632 1.701 345 H VAL 42 H VAL 42 -4.327 11.085 0.373 346 HA VAL 42 HA VAL 42 -6.571 9.544 1.315 347 HB VAL 42 HB VAL 42 -5.799 10.058 -1.561 348 HG11 VAL 42 1HG1 VAL 42 -8.171 9.755 -1.996 349 HG12 VAL 42 2HG1 VAL 42 -8.467 9.490 -0.279 350 HG13 VAL 42 3HG1 VAL 42 -7.506 8.336 -1.191 351 HG21 VAL 42 3HG2 VAL 42 -5.947 12.228 -0.859 352 HG22 VAL 42 1HG2 VAL 42 -7.037 11.842 0.475 353 HG23 VAL 42 2HG2 VAL 42 -7.650 11.905 -1.176 354 H TRP 43 H TRP 43 -6.347 7.534 1.828 355 HA TRP 43 HA TRP 43 -4.344 5.843 0.650 356 HD1 TRP 43 HD TRP 43 -4.505 7.422 4.019 357 HE1 TRP 43 1HE TRP 43 -2.219 7.004 5.125 358 HE3 TRP 43 3HE TRP 43 -3.565 2.748 2.193 359 HZ2 TRP 43 2HZ TRP 43 -0.271 4.965 5.209 360 HZ3 TRP 43 3HZ TRP 43 -1.467 1.631 2.829 361 HH2 TRP 43 HH TRP 43 0.145 2.716 4.306 362 HB2 TRP 43 2HB TRP 43 -6.269 5.686 2.909 363 HB3 TRP 43 1HB TRP 43 -5.613 4.180 2.273 364 H THR 44 H THR 44 -4.701 3.947 -0.477 365 HA THR 44 HA THR 44 -7.358 3.123 -1.234 366 HB THR 44 HB THR 44 -5.459 4.130 -3.357 367 HG1 THR 44 1HG THR 44 -7.092 5.710 -3.677 368 HG21 THR 44 3HG2 THR 44 -6.693 2.377 -4.326 369 HG22 THR 44 1HG2 THR 44 -7.481 3.875 -4.829 370 HG23 THR 44 2HG2 THR 44 -8.186 2.898 -3.541 371 H TYR 45 H TYR 45 -7.406 0.983 -1.830 372 HA TYR 45 HA TYR 45 -4.785 -0.357 -2.020 373 HD1 TYR 45 2HD TYR 45 -3.642 -2.070 -0.767 374 HD2 TYR 45 1HD TYR 45 -7.567 -3.697 -0.955 375 HE1 TYR 45 2HE TYR 45 -2.691 -4.336 -0.848 376 HE2 TYR 45 1HE TYR 45 -6.629 -5.968 -1.032 377 HH TYR 45 HH TYR 45 -3.455 -6.673 -0.264 378 HB2 TYR 45 2HB TYR 45 -5.907 -0.856 0.100 379 HB3 TYR 45 1HB TYR 45 -7.329 -1.417 -0.775 380 H LYS 46 H LYS 46 -4.647 -2.240 -3.305 381 HA LYS 46 HA LYS 46 -6.780 -2.531 -5.311 382 HB2 LYS 46 2HB LYS 46 -4.179 -1.569 -5.763 383 HB3 LYS 46 1HB LYS 46 -4.181 -3.219 -6.371 384 HG2 LYS 46 2HG LYS 46 -6.467 -1.505 -7.131 385 HG3 LYS 46 1HG LYS 46 -4.898 -1.133 -7.847 386 HD2 LYS 46 2HD LYS 46 -4.822 -3.697 -8.325 387 HD3 LYS 46 1HD LYS 46 -6.571 -3.599 -8.111 388 HE2 LYS 46 2HE LYS 46 -6.360 -3.265 -10.377 389 HE3 LYS 46 1HE LYS 46 -6.385 -1.609 -9.781 390 HZ1 LYS 46 3HZ LYS 46 -4.623 -1.708 -11.298 391 HZ2 LYS 46 1HZ LYS 46 -4.055 -3.185 -10.695 392 HZ3 LYS 46 2HZ LYS 46 -3.877 -1.773 -9.776 393 H ASP 47 H ASP 47 -7.627 -4.496 -5.206 394 HA ASP 47 HA ASP 47 -6.086 -6.671 -4.023 395 HB2 ASP 47 2HB ASP 47 -8.863 -5.937 -4.093 396 HB3 ASP 47 1HB ASP 47 -8.673 -7.574 -4.727 397 H GLU 48 H GLU 48 -5.511 -5.688 -6.741 398 HA GLU 48 HA GLU 48 -6.283 -8.017 -8.350 399 HB2 GLU 48 2HB GLU 48 -6.329 -5.370 -9.007 400 HB3 GLU 48 1HB GLU 48 -4.758 -5.849 -9.640 401 HG2 GLU 48 2HG GLU 48 -6.270 -7.855 -10.580 402 HG3 GLU 48 1HG GLU 48 -7.467 -6.561 -10.534 403 H THR 49 H THR 49 -3.577 -6.395 -6.899 404 HA THR 49 HA THR 49 -1.903 -8.697 -7.313 405 HB THR 49 HB THR 49 -0.589 -6.218 -8.270 406 HG1 THR 49 1HG THR 49 -2.067 -5.913 -9.717 407 HG21 THR 49 3HG2 THR 49 0.017 -8.090 -10.073 408 HG22 THR 49 1HG2 THR 49 -0.349 -9.122 -8.693 409 HG23 THR 49 2HG2 THR 49 0.898 -7.879 -8.557 410 H LYS 50 H LYS 50 -3.038 -7.077 -5.120 411 HA LYS 50 HA LYS 50 -2.444 -6.218 -3.097 412 HB2 LYS 50 2HB LYS 50 -0.125 -7.977 -3.806 413 HB3 LYS 50 1HB LYS 50 -0.065 -7.008 -2.341 414 HG2 LYS 50 2HG LYS 50 -0.864 -9.104 -1.670 415 HG3 LYS 50 1HG LYS 50 -2.290 -8.066 -1.728 416 HD2 LYS 50 2HD LYS 50 -3.223 -9.235 -3.410 417 HD3 LYS 50 1HD LYS 50 -1.682 -9.457 -4.240 418 HE2 LYS 50 2HE LYS 50 -2.747 -11.035 -1.907 419 HE3 LYS 50 1HE LYS 50 -2.491 -11.606 -3.554 420 HZ1 LYS 50 3HZ LYS 50 -0.588 -11.259 -1.398 421 HZ2 LYS 50 1HZ LYS 50 -0.048 -10.740 -2.915 422 HZ3 LYS 50 2HZ LYS 50 -0.565 -12.337 -2.702 423 H THR 51 H THR 51 -2.471 -4.068 -4.111 424 HA THR 51 HA THR 51 0.163 -2.813 -3.859 425 HB THR 51 HB THR 51 -1.721 -2.307 -6.167 426 HG1 THR 51 1HG THR 51 -0.004 -3.211 -7.388 427 HG21 THR 51 3HG2 THR 51 0.369 -1.107 -7.052 428 HG22 THR 51 1HG2 THR 51 0.850 -1.021 -5.357 429 HG23 THR 51 2HG2 THR 51 -0.659 -0.273 -5.885 430 H PHE 52 H PHE 52 0.079 -1.173 -2.500 431 HA PHE 52 HA PHE 52 -2.501 0.031 -1.838 432 HD1 PHE 52 2HD PHE 52 -0.495 -2.485 -0.519 433 HD2 PHE 52 1HD PHE 52 -2.569 0.563 1.605 434 HE1 PHE 52 2HE PHE 52 -1.466 -4.188 0.968 435 HE2 PHE 52 1HE PHE 52 -3.541 -1.133 3.099 436 HZ PHE 52 HZ PHE 52 -2.993 -3.513 2.780 437 HB2 PHE 52 2HB PHE 52 0.199 0.017 -0.506 438 HB3 PHE 52 1HB PHE 52 -1.052 1.164 -0.022 439 H THR 53 H THR 53 -2.757 2.344 -1.747 440 HA THR 53 HA THR 53 -0.756 3.934 -3.161 441 HB THR 53 HB THR 53 -3.648 3.756 -4.021 442 HG1 THR 53 1HG THR 53 -2.676 2.124 -5.016 443 HG21 THR 53 3HG2 THR 53 -1.834 5.907 -4.329 444 HG22 THR 53 1HG2 THR 53 -3.452 5.721 -5.004 445 HG23 THR 53 2HG2 THR 53 -2.050 5.137 -5.901 446 H VAL 54 H VAL 54 -0.405 5.738 -2.070 447 HA VAL 54 HA VAL 54 -2.644 7.065 -0.718 448 HB VAL 54 HB VAL 54 -1.548 5.764 1.024 449 HG11 VAL 54 1HG1 VAL 54 0.956 7.223 0.192 450 HG12 VAL 54 2HG1 VAL 54 0.641 5.493 0.046 451 HG13 VAL 54 3HG1 VAL 54 0.796 6.230 1.641 452 HG21 VAL 54 3HG2 VAL 54 -1.039 8.734 1.153 453 HG22 VAL 54 1HG2 VAL 54 -0.884 7.653 2.539 454 HG23 VAL 54 2HG2 VAL 54 -2.449 7.851 1.746 455 H THR 55 H THR 55 -2.655 9.223 -1.037 456 HA THR 55 HA THR 55 -0.141 10.508 -1.869 457 HB THR 55 HB THR 55 -0.955 11.230 -3.842 458 HG1 THR 55 1HG THR 55 -3.533 11.537 -2.724 459 HG21 THR 55 3HG2 THR 55 -2.740 9.945 -4.883 460 HG22 THR 55 1HG2 THR 55 -3.182 9.278 -3.311 461 HG23 THR 55 2HG2 THR 55 -1.613 8.898 -4.025 462 H GLU 56 H GLU 56 0.277 12.402 -0.899 463 HA GLU 56 HA GLU 56 -1.780 13.484 0.894 464 HB2 GLU 56 2HB GLU 56 0.389 12.823 1.892 465 HB3 GLU 56 1HB GLU 56 1.200 14.001 0.871 466 HG2 GLU 56 2HG GLU 56 -1.003 14.911 2.638 467 HG3 GLU 56 1HG GLU 56 0.565 14.552 3.350 Start of MODEL 17 1 HA THR 1 HA THR 1 4.717 -12.518 -1.683 2 HB THR 1 HB THR 1 2.474 -11.117 -3.022 3 HG1 THR 1 1HG THR 1 1.014 -12.670 -2.686 4 H1 THR 1 1HT THR 1 2.711 -11.102 -0.081 5 H2 THR 1 2HT THR 1 4.030 -12.069 0.439 6 H3 THR 1 3HT THR 1 2.671 -12.801 -0.308 7 HG21 THR 1 3HG2 THR 1 4.433 -13.131 -3.668 8 HG22 THR 1 1HG2 THR 1 3.463 -12.114 -4.732 9 HG23 THR 1 2HG2 THR 1 2.805 -13.633 -4.122 10 H THR 2 H THR 2 4.794 -10.714 -3.710 11 HA THR 2 HA THR 2 6.239 -8.557 -2.562 12 HB THR 2 HB THR 2 5.295 -8.955 -5.408 13 HG1 THR 2 1HG THR 2 7.651 -9.726 -4.050 14 HG21 THR 2 3HG2 THR 2 7.547 -7.620 -5.727 15 HG22 THR 2 1HG2 THR 2 7.084 -6.953 -4.162 16 HG23 THR 2 2HG2 THR 2 5.995 -6.806 -5.542 17 H TYR 3 H TYR 3 5.434 -6.752 -1.730 18 HA TYR 3 HA TYR 3 2.767 -5.871 -2.595 19 HD1 TYR 3 1HD TYR 3 0.800 -4.659 -0.890 20 HD2 TYR 3 2HD TYR 3 3.128 -7.861 0.662 21 HE1 TYR 3 1HE TYR 3 -1.260 -5.832 -0.236 22 HE2 TYR 3 2HE TYR 3 1.076 -9.043 1.321 23 HH TYR 3 HH TYR 3 -1.263 -9.110 0.774 24 HB2 TYR 3 2HB TYR 3 4.187 -5.871 -0.005 25 HB3 TYR 3 1HB TYR 3 3.247 -4.418 -0.351 26 H LYS 4 H LYS 4 2.532 -4.028 -3.677 27 HA LYS 4 HA LYS 4 4.866 -2.246 -3.888 28 HB2 LYS 4 2HB LYS 4 3.685 -3.472 -5.922 29 HB3 LYS 4 1HB LYS 4 2.592 -2.101 -5.813 30 HG2 LYS 4 2HG LYS 4 5.138 -0.986 -5.704 31 HG3 LYS 4 1HG LYS 4 5.246 -2.257 -6.923 32 HD2 LYS 4 2HD LYS 4 2.994 -1.220 -7.768 33 HD3 LYS 4 1HD LYS 4 3.553 0.202 -6.882 34 HE2 LYS 4 2HE LYS 4 5.356 0.528 -8.275 35 HE3 LYS 4 1HE LYS 4 5.427 -1.167 -8.754 36 HZ1 LYS 4 3HZ LYS 4 3.440 -0.852 -10.078 37 HZ2 LYS 4 1HZ LYS 4 4.634 0.253 -10.551 38 HZ3 LYS 4 2HZ LYS 4 3.336 0.767 -9.598 39 H LEU 5 H LEU 5 4.712 -0.121 -3.398 40 HA LEU 5 HA LEU 5 2.059 0.932 -2.678 41 HG LEU 5 HG LEU 5 3.350 3.417 -1.158 42 HB2 LEU 5 2HB LEU 5 3.212 0.448 -0.618 43 HB3 LEU 5 1HB LEU 5 4.648 1.297 -1.175 44 HD11 LEU 5 1HD1 LEU 5 1.226 1.804 0.240 45 HD12 LEU 5 2HD1 LEU 5 1.123 2.342 -1.435 46 HD13 LEU 5 3HD1 LEU 5 1.191 3.528 -0.131 47 HD21 LEU 5 3HD2 LEU 5 3.645 1.803 1.356 48 HD22 LEU 5 1HD2 LEU 5 3.110 3.482 1.384 49 HD23 LEU 5 2HD2 LEU 5 4.694 3.073 0.731 50 H ILE 6 H ILE 6 1.644 3.052 -3.203 51 HA ILE 6 HA ILE 6 3.774 4.509 -4.616 52 HB ILE 6 HB ILE 6 2.447 3.656 -6.381 53 HG12 ILE 6 2HG1 ILE 6 1.308 6.409 -5.878 54 HG13 ILE 6 1HG1 ILE 6 2.961 6.137 -6.424 55 HG21 ILE 6 1HG2 ILE 6 0.009 3.847 -6.462 56 HG22 ILE 6 2HG2 ILE 6 0.017 4.581 -4.856 57 HG23 ILE 6 3HG2 ILE 6 0.544 2.911 -5.068 58 HD11 ILE 6 3HD1 ILE 6 0.655 6.395 -7.986 59 HD12 ILE 6 1HD1 ILE 6 1.138 4.700 -8.099 60 HD13 ILE 6 2HD1 ILE 6 2.283 5.974 -8.522 61 H LEU 7 H LEU 7 4.063 6.518 -3.892 62 HA LEU 7 HA LEU 7 1.848 7.793 -2.432 63 HG LEU 7 HG LEU 7 2.743 6.365 -0.695 64 HB2 LEU 7 2HB LEU 7 4.807 7.977 -1.893 65 HB3 LEU 7 1HB LEU 7 3.600 9.019 -1.146 66 HD11 LEU 7 1HD1 LEU 7 5.699 6.721 -0.401 67 HD12 LEU 7 2HD1 LEU 7 4.796 5.354 -1.052 68 HD13 LEU 7 3HD1 LEU 7 4.808 5.654 0.688 69 HD21 LEU 7 3HD2 LEU 7 2.392 7.228 1.331 70 HD22 LEU 7 1HD2 LEU 7 3.039 8.738 0.694 71 HD23 LEU 7 2HD2 LEU 7 4.097 7.616 1.545 72 H ASN 8 H ASN 8 1.126 9.631 -3.263 73 HA ASN 8 HA ASN 8 2.849 11.062 -5.180 74 HB2 ASN 8 2HB ASN 8 0.072 10.206 -5.305 75 HB3 ASN 8 1HB ASN 8 0.234 11.937 -5.598 76 HD21 ASN 8 1HD2 ASN 8 -0.479 11.488 -7.743 77 HD22 ASN 8 2HD2 ASN 8 0.643 10.889 -8.928 78 H LEU 9 H LEU 9 3.764 12.714 -4.129 79 HA LEU 9 HA LEU 9 2.303 14.166 -2.082 80 HG LEU 9 HG LEU 9 4.687 12.694 -1.167 81 HB2 LEU 9 2HB LEU 9 5.126 14.127 -3.057 82 HB3 LEU 9 1HB LEU 9 4.550 15.526 -2.177 83 HD11 LEU 9 1HD1 LEU 9 5.975 15.019 0.153 84 HD12 LEU 9 2HD1 LEU 9 6.717 14.359 -1.303 85 HD13 LEU 9 3HD1 LEU 9 6.474 13.327 0.103 86 HD21 LEU 9 3HD2 LEU 9 3.358 15.134 -0.050 87 HD22 LEU 9 1HD2 LEU 9 3.987 13.877 1.012 88 HD23 LEU 9 2HD2 LEU 9 2.740 13.488 -0.173 89 H LYS 10 H LYS 10 2.902 16.696 -2.221 90 HA LYS 10 HA LYS 10 1.668 17.581 -4.720 91 HB2 LYS 10 2HB LYS 10 1.057 18.208 -2.160 92 HB3 LYS 10 1HB LYS 10 2.148 19.534 -2.551 93 HG2 LYS 10 2HG LYS 10 0.772 20.189 -4.411 94 HG3 LYS 10 1HG LYS 10 -0.272 18.777 -4.181 95 HD2 LYS 10 2HD LYS 10 -1.453 20.522 -3.178 96 HD3 LYS 10 1HD LYS 10 -0.664 19.721 -1.819 97 HE2 LYS 10 2HE LYS 10 -0.303 21.997 -1.427 98 HE3 LYS 10 1HE LYS 10 1.207 21.432 -2.139 99 HZ1 LYS 10 3HZ LYS 10 0.651 23.452 -3.194 100 HZ2 LYS 10 1HZ LYS 10 -0.950 22.980 -3.464 101 HZ3 LYS 10 2HZ LYS 10 0.307 22.235 -4.317 102 H GLN 11 H GLN 11 4.472 16.826 -4.604 103 HA GLN 11 HA GLN 11 5.574 19.212 -5.794 104 HB2 GLN 11 2HB GLN 11 7.680 19.029 -4.417 105 HB3 GLN 11 1HB GLN 11 6.272 19.638 -3.558 106 HG2 GLN 11 2HG GLN 11 6.021 17.028 -3.009 107 HG3 GLN 11 1HG GLN 11 7.775 17.123 -3.211 108 HE21 GLN 11 1HE2 GLN 11 7.128 16.414 -0.824 109 HE22 GLN 11 2HE2 GLN 11 7.216 17.703 0.322 110 H ALA 12 H ALA 12 6.219 15.891 -4.717 111 HA ALA 12 HA ALA 12 7.307 15.302 -7.372 112 HB1 ALA 12 1HB ALA 12 9.073 13.878 -6.028 113 HB2 ALA 12 2HB ALA 12 8.792 15.113 -4.800 114 HB3 ALA 12 3HB ALA 12 9.360 15.582 -6.401 115 H LYS 13 H LYS 13 7.510 12.948 -7.751 116 HA LYS 13 HA LYS 13 5.316 11.531 -6.426 117 HB2 LYS 13 2HB LYS 13 6.622 11.294 -9.109 118 HB3 LYS 13 1HB LYS 13 5.756 9.919 -8.444 119 HG2 LYS 13 2HG LYS 13 3.801 10.788 -9.012 120 HG3 LYS 13 1HG LYS 13 4.177 12.313 -8.214 121 HD2 LYS 13 2HD LYS 13 5.366 11.659 -10.888 122 HD3 LYS 13 1HD LYS 13 3.722 12.297 -10.767 123 HE2 LYS 13 2HE LYS 13 6.131 13.620 -9.529 124 HE3 LYS 13 1HE LYS 13 5.512 14.014 -11.133 125 HZ1 LYS 13 3HZ LYS 13 3.566 14.056 -8.977 126 HZ2 LYS 13 1HZ LYS 13 3.758 15.112 -10.287 127 HZ3 LYS 13 2HZ LYS 13 4.748 15.270 -8.925 128 H GLU 14 H GLU 14 5.761 10.023 -4.978 129 HA GLU 14 HA GLU 14 8.402 8.722 -5.055 130 HB2 GLU 14 2HB GLU 14 6.643 9.317 -2.674 131 HB3 GLU 14 1HB GLU 14 8.145 8.405 -2.608 132 HG2 GLU 14 2HG GLU 14 7.919 11.258 -3.525 133 HG3 GLU 14 1HG GLU 14 8.368 10.757 -1.894 134 H GLU 15 H GLU 15 8.485 6.576 -5.239 135 HA GLU 15 HA GLU 15 6.198 4.950 -4.464 136 HB2 GLU 15 2HB GLU 15 6.292 3.750 -6.692 137 HB3 GLU 15 1HB GLU 15 5.589 5.360 -6.718 138 HG2 GLU 15 2HG GLU 15 8.172 5.938 -7.254 139 HG3 GLU 15 1HG GLU 15 8.032 4.340 -7.985 140 H ALA 16 H ALA 16 6.762 2.939 -3.780 141 HA ALA 16 HA ALA 16 9.483 1.989 -4.314 142 HB1 ALA 16 1HB ALA 16 8.347 2.730 -1.688 143 HB2 ALA 16 2HB ALA 16 10.017 2.762 -2.256 144 HB3 ALA 16 3HB ALA 16 9.287 1.237 -1.752 145 H ILE 17 H ILE 17 9.729 -0.312 -3.356 146 HA ILE 17 HA ILE 17 7.218 -1.812 -3.582 147 HB ILE 17 HB ILE 17 8.869 -1.685 -5.711 148 HG12 ILE 17 2HG1 ILE 17 6.631 -2.704 -5.608 149 HG13 ILE 17 1HG1 ILE 17 7.760 -3.686 -6.533 150 HG21 ILE 17 1HG2 ILE 17 10.732 -2.741 -4.473 151 HG22 ILE 17 2HG2 ILE 17 10.235 -3.656 -5.896 152 HG23 ILE 17 3HG2 ILE 17 9.748 -4.192 -4.289 153 HD11 ILE 17 3HD1 ILE 17 6.221 -4.919 -4.983 154 HD12 ILE 17 1HD1 ILE 17 7.126 -4.208 -3.649 155 HD13 ILE 17 2HD1 ILE 17 7.940 -5.270 -4.797 156 H LYS 18 H LYS 18 6.979 -3.144 -1.907 157 HA LYS 18 HA LYS 18 9.388 -4.263 -0.637 158 HB2 LYS 18 2HB LYS 18 7.071 -3.678 1.118 159 HB3 LYS 18 1HB LYS 18 8.790 -3.619 1.472 160 HG2 LYS 18 2HG LYS 18 7.779 -1.557 -0.383 161 HG3 LYS 18 1HG LYS 18 7.226 -1.453 1.287 162 HD2 LYS 18 2HD LYS 18 9.147 -0.189 1.348 163 HD3 LYS 18 1HD LYS 18 9.743 -1.770 1.860 164 HE2 LYS 18 2HE LYS 18 10.713 -2.202 -0.233 165 HE3 LYS 18 1HE LYS 18 9.798 -0.913 -1.016 166 HZ1 LYS 18 3HZ LYS 18 11.117 0.550 0.690 167 HZ2 LYS 18 1HZ LYS 18 11.815 0.088 -0.782 168 HZ3 LYS 18 2HZ LYS 18 12.207 -0.741 0.640 169 H GLU 19 H GLU 19 9.291 -6.374 -0.061 170 HA GLU 19 HA GLU 19 6.898 -7.845 -0.868 171 HB2 GLU 19 2HB GLU 19 9.251 -8.448 -1.654 172 HB3 GLU 19 1HB GLU 19 9.537 -9.027 -0.019 173 HG2 GLU 19 2HG GLU 19 7.696 -10.610 -0.256 174 HG3 GLU 19 1HG GLU 19 7.412 -10.029 -1.897 175 H LEU 20 H LEU 20 5.601 -8.896 0.524 176 HA LEU 20 HA LEU 20 6.479 -9.250 3.302 177 HG LEU 20 HG LEU 20 4.549 -6.206 4.132 178 HB2 LEU 20 2HB LEU 20 3.928 -7.900 2.416 179 HB3 LEU 20 1HB LEU 20 4.147 -8.552 4.029 180 HD11 LEU 20 1HD1 LEU 20 7.224 -7.596 4.117 181 HD12 LEU 20 2HD1 LEU 20 6.056 -7.653 5.439 182 HD13 LEU 20 3HD1 LEU 20 6.800 -6.120 4.987 183 HD21 LEU 20 3HD2 LEU 20 5.367 -6.419 1.524 184 HD22 LEU 20 1HD2 LEU 20 6.875 -6.086 2.375 185 HD23 LEU 20 2HD2 LEU 20 5.512 -4.978 2.531 186 H VAL 21 H VAL 21 4.355 -10.407 4.445 187 HA VAL 21 HA VAL 21 4.037 -12.845 2.858 188 HB VAL 21 HB VAL 21 5.001 -13.083 5.114 189 HG11 VAL 21 1HG1 VAL 21 3.829 -12.585 7.074 190 HG12 VAL 21 2HG1 VAL 21 2.297 -12.401 6.217 191 HG13 VAL 21 3HG1 VAL 21 3.561 -11.188 6.034 192 HG21 VAL 21 3HG2 VAL 21 2.406 -14.434 5.441 193 HG22 VAL 21 1HG2 VAL 21 4.039 -15.103 5.395 194 HG23 VAL 21 2HG2 VAL 21 3.208 -14.698 3.892 195 H ASP 22 H ASP 22 2.126 -10.575 4.802 196 HA ASP 22 HA ASP 22 -0.234 -11.349 3.234 197 HB2 ASP 22 2HB ASP 22 0.106 -12.072 5.889 198 HB3 ASP 22 1HB ASP 22 -0.888 -10.618 5.987 199 H ALA 23 H ALA 23 -2.061 -9.692 3.612 200 HA ALA 23 HA ALA 23 -0.983 -7.113 3.007 201 HB1 ALA 23 1HB ALA 23 -3.214 -8.297 2.215 202 HB2 ALA 23 2HB ALA 23 -3.064 -6.541 2.301 203 HB3 ALA 23 3HB ALA 23 -3.874 -7.421 3.597 204 H ALA 24 H ALA 24 -2.781 -8.480 5.750 205 HA ALA 24 HA ALA 24 -3.229 -6.228 7.257 206 HB1 ALA 24 1HB ALA 24 -3.548 -8.866 7.705 207 HB2 ALA 24 2HB ALA 24 -3.694 -7.639 8.964 208 HB3 ALA 24 3HB ALA 24 -2.187 -8.535 8.777 209 H THR 25 H THR 25 -0.296 -8.221 7.190 210 HA THR 25 HA THR 25 1.174 -6.498 8.913 211 HB THR 25 HB THR 25 1.847 -8.838 7.158 212 HG1 THR 25 1HG THR 25 2.048 -9.799 9.022 213 HG21 THR 25 3HG2 THR 25 3.725 -7.298 6.805 214 HG22 THR 25 1HG2 THR 25 4.188 -8.725 7.731 215 HG23 THR 25 2HG2 THR 25 3.943 -7.186 8.553 216 H ALA 26 H ALA 26 0.891 -6.895 5.410 217 HA ALA 26 HA ALA 26 2.910 -5.185 4.582 218 HB1 ALA 26 1HB ALA 26 1.537 -4.810 2.552 219 HB2 ALA 26 2HB ALA 26 0.170 -5.590 3.356 220 HB3 ALA 26 3HB ALA 26 1.631 -6.514 2.997 221 H GLU 27 H GLU 27 -0.467 -4.448 5.294 222 HA GLU 27 HA GLU 27 -0.466 -1.712 4.944 223 HB2 GLU 27 2HB GLU 27 -2.487 -3.053 5.353 224 HB3 GLU 27 1HB GLU 27 -1.957 -3.351 7.006 225 HG2 GLU 27 2HG GLU 27 -1.973 -0.764 7.204 226 HG3 GLU 27 1HG GLU 27 -3.004 -0.836 5.775 227 H LYS 28 H LYS 28 0.696 -3.640 7.636 228 HA LYS 28 HA LYS 28 1.036 -1.426 9.418 229 HB2 LYS 28 2HB LYS 28 1.885 -4.295 9.408 230 HB3 LYS 28 1HB LYS 28 2.653 -3.185 10.532 231 HG2 LYS 28 2HG LYS 28 0.165 -2.556 11.100 232 HG3 LYS 28 1HG LYS 28 -0.148 -4.166 10.448 233 HD2 LYS 28 2HD LYS 28 0.155 -4.462 12.771 234 HD3 LYS 28 1HD LYS 28 1.660 -4.999 12.019 235 HE2 LYS 28 2HE LYS 28 2.617 -3.672 13.562 236 HE3 LYS 28 1HE LYS 28 2.210 -2.383 12.428 237 HZ1 LYS 28 3HZ LYS 28 0.564 -1.616 13.751 238 HZ2 LYS 28 1HZ LYS 28 1.503 -2.325 14.967 239 HZ3 LYS 28 2HZ LYS 28 0.157 -3.143 14.354 240 H TYR 29 H TYR 29 3.220 -3.337 7.385 241 HA TYR 29 HA TYR 29 5.528 -1.780 7.982 242 HD1 TYR 29 2HD TYR 29 6.129 -1.875 4.261 243 HD2 TYR 29 1HD TYR 29 8.065 -4.044 7.365 244 HE1 TYR 29 2HE TYR 29 8.304 -1.334 3.269 245 HE2 TYR 29 1HE TYR 29 10.255 -3.512 6.377 246 HH TYR 29 HH TYR 29 10.812 -2.692 3.475 247 HB2 TYR 29 2HB TYR 29 5.739 -4.092 7.231 248 HB3 TYR 29 1HB TYR 29 4.955 -3.688 5.704 249 H PHE 30 H PHE 30 3.607 -2.089 4.998 250 HA PHE 30 HA PHE 30 4.814 -0.079 3.557 251 HD1 PHE 30 2HD PHE 30 5.263 0.096 1.973 252 HD2 PHE 30 1HD PHE 30 1.836 -2.217 0.939 253 HE1 PHE 30 2HE PHE 30 6.239 -0.360 -0.233 254 HE2 PHE 30 1HE PHE 30 2.812 -2.667 -1.270 255 HZ PHE 30 HZ PHE 30 5.013 -1.739 -1.861 256 HB2 PHE 30 2HB PHE 30 2.461 -1.704 3.327 257 HB3 PHE 30 1HB PHE 30 2.063 -0.057 2.847 258 H LYS 31 H LYS 31 2.498 0.202 6.136 259 HA LYS 31 HA LYS 31 1.808 2.931 5.557 260 HB2 LYS 31 2HB LYS 31 0.225 1.572 6.779 261 HB3 LYS 31 1HB LYS 31 1.418 1.248 8.037 262 HG2 LYS 31 2HG LYS 31 0.862 4.089 7.557 263 HG3 LYS 31 1HG LYS 31 -0.499 3.152 8.179 264 HD2 LYS 31 2HD LYS 31 0.487 2.802 10.189 265 HD3 LYS 31 1HD LYS 31 2.106 2.702 9.495 266 HE2 LYS 31 2HE LYS 31 2.254 5.084 9.323 267 HE3 LYS 31 1HE LYS 31 0.557 5.271 9.765 268 HZ1 LYS 31 3HZ LYS 31 1.463 5.643 11.781 269 HZ2 LYS 31 1HZ LYS 31 2.871 4.764 11.454 270 HZ3 LYS 31 2HZ LYS 31 1.449 3.954 11.882 271 H LEU 32 H LEU 32 4.188 1.250 7.487 272 HA LEU 32 HA LEU 32 5.060 3.502 8.985 273 HG LEU 32 HG LEU 32 5.814 2.784 10.816 274 HB2 LEU 32 2HB LEU 32 5.736 0.721 8.740 275 HB3 LEU 32 1HB LEU 32 7.202 1.681 8.704 276 HD11 LEU 32 1HD1 LEU 32 4.138 1.173 10.986 277 HD12 LEU 32 2HD1 LEU 32 5.332 0.679 12.185 278 HD13 LEU 32 3HD1 LEU 32 5.246 -0.151 10.632 279 HD21 LEU 32 3HD2 LEU 32 7.431 1.086 12.096 280 HD22 LEU 32 1HD2 LEU 32 8.023 2.512 11.245 281 HD23 LEU 32 2HD2 LEU 32 8.093 0.930 10.470 282 H TYR 33 H TYR 33 5.715 2.319 5.793 283 HA TYR 33 HA TYR 33 8.133 3.838 5.432 284 HD1 TYR 33 1HD TYR 33 6.089 4.153 1.955 285 HD2 TYR 33 2HD TYR 33 9.888 2.492 2.924 286 HE1 TYR 33 1HE TYR 33 7.038 5.142 -0.083 287 HE2 TYR 33 2HE TYR 33 10.845 3.480 0.886 288 HH TYR 33 HH TYR 33 9.161 5.801 -0.999 289 HB2 TYR 33 2HB TYR 33 8.004 1.846 4.158 290 HB3 TYR 33 1HB TYR 33 6.375 2.217 3.588 291 H ALA 34 H ALA 34 4.853 4.003 4.050 292 HA ALA 34 HA ALA 34 5.183 6.403 2.669 293 HB1 ALA 34 1HB ALA 34 2.885 4.795 3.596 294 HB2 ALA 34 2HB ALA 34 3.281 5.393 1.984 295 HB3 ALA 34 3HB ALA 34 2.560 6.478 3.174 296 H ASN 35 H ASN 35 4.525 5.787 6.037 297 HA ASN 35 HA ASN 35 3.771 8.513 6.610 298 HB2 ASN 35 2HB ASN 35 3.019 6.360 7.849 299 HB3 ASN 35 1HB ASN 35 4.563 6.491 8.688 300 HD21 ASN 35 1HD2 ASN 35 2.961 6.639 10.500 301 HD22 ASN 35 2HD2 ASN 35 2.429 8.223 10.947 302 H ALA 36 H ALA 36 6.672 6.584 6.670 303 HA ALA 36 HA ALA 36 8.155 8.571 8.180 304 HB1 ALA 36 1HB ALA 36 8.505 6.081 8.409 305 HB2 ALA 36 2HB ALA 36 9.963 7.046 8.165 306 HB3 ALA 36 3HB ALA 36 9.275 6.131 6.822 307 H LYS 37 H LYS 37 8.358 7.115 4.932 308 HA LYS 37 HA LYS 37 10.372 8.765 3.934 309 HB2 LYS 37 2HB LYS 37 8.554 6.796 2.899 310 HB3 LYS 37 1HB LYS 37 8.640 8.154 1.785 311 HG2 LYS 37 2HG LYS 37 10.302 6.705 1.053 312 HG3 LYS 37 1HG LYS 37 11.178 7.919 1.986 313 HD2 LYS 37 2HD LYS 37 11.264 6.431 3.899 314 HD3 LYS 37 1HD LYS 37 10.302 5.229 3.035 315 HE2 LYS 37 2HE LYS 37 12.075 4.983 1.382 316 HE3 LYS 37 1HE LYS 37 13.029 6.216 2.205 317 HZ1 LYS 37 3HZ LYS 37 12.143 3.885 3.741 318 HZ2 LYS 37 1HZ LYS 37 13.549 4.809 3.904 319 HZ3 LYS 37 2HZ LYS 37 13.419 3.682 2.651 320 H THR 38 H THR 38 6.936 9.011 3.010 321 HA THR 38 HA THR 38 7.325 11.918 2.748 322 HB THR 38 HB THR 38 5.561 11.901 1.078 323 HG1 THR 38 1HG THR 38 5.398 9.100 1.458 324 HG21 THR 38 3HG2 THR 38 6.500 10.413 -0.649 325 HG22 THR 38 1HG2 THR 38 7.549 9.704 0.580 326 HG23 THR 38 2HG2 THR 38 7.713 11.407 0.155 327 H VAL 39 H VAL 39 4.473 12.459 2.510 328 HA VAL 39 HA VAL 39 3.802 12.335 5.348 329 HB VAL 39 HB VAL 39 2.190 13.834 3.309 330 HG11 VAL 39 1HG1 VAL 39 2.131 15.406 5.378 331 HG12 VAL 39 2HG1 VAL 39 2.655 13.976 6.256 332 HG13 VAL 39 3HG1 VAL 39 1.137 13.950 5.359 333 HG21 VAL 39 3HG2 VAL 39 4.067 14.924 2.709 334 HG22 VAL 39 1HG2 VAL 39 4.958 14.390 4.134 335 HG23 VAL 39 2HG2 VAL 39 3.850 15.756 4.247 336 H GLU 40 H GLU 40 1.427 12.047 5.876 337 HA GLU 40 HA GLU 40 0.460 9.689 4.443 338 HB2 GLU 40 2HB GLU 40 0.734 10.151 7.109 339 HB3 GLU 40 1HB GLU 40 -0.956 10.578 6.874 340 HG2 GLU 40 2HG GLU 40 -0.569 8.170 5.494 341 HG3 GLU 40 1HG GLU 40 0.268 7.992 7.035 342 H GLY 41 H GLY 41 -1.093 9.887 2.985 343 HA2 GLY 41 2HA GLY 41 -3.062 12.059 3.330 344 HA3 GLY 41 1HA GLY 41 -2.383 11.657 1.757 345 H VAL 42 H VAL 42 -4.193 10.987 0.690 346 HA VAL 42 HA VAL 42 -6.257 9.438 1.810 347 HB VAL 42 HB VAL 42 -6.554 10.701 -0.269 348 HG11 VAL 42 1HG1 VAL 42 -5.649 9.706 -2.384 349 HG12 VAL 42 2HG1 VAL 42 -4.646 8.670 -1.381 350 HG13 VAL 42 3HG1 VAL 42 -4.440 10.416 -1.313 351 HG21 VAL 42 3HG2 VAL 42 -7.886 9.090 -1.451 352 HG22 VAL 42 1HG2 VAL 42 -8.001 8.743 0.273 353 HG23 VAL 42 2HG2 VAL 42 -6.975 7.756 -0.752 354 H TRP 43 H TRP 43 -6.808 7.206 1.292 355 HA TRP 43 HA TRP 43 -4.453 5.523 0.797 356 HD1 TRP 43 HD TRP 43 -4.449 7.298 4.142 357 HE1 TRP 43 1HE TRP 43 -2.088 6.938 5.103 358 HE3 TRP 43 3HE TRP 43 -3.580 2.588 2.382 359 HZ2 TRP 43 2HZ TRP 43 -0.110 4.919 5.109 360 HZ3 TRP 43 3HZ TRP 43 -1.429 1.507 2.905 361 HH2 TRP 43 HH TRP 43 0.268 2.651 4.242 362 HB2 TRP 43 2HB TRP 43 -6.254 5.561 3.164 363 HB3 TRP 43 1HB TRP 43 -5.660 3.998 2.613 364 H THR 44 H THR 44 -4.786 3.720 -0.376 365 HA THR 44 HA THR 44 -7.441 2.672 -0.835 366 HB THR 44 HB THR 44 -6.036 3.248 -3.370 367 HG1 THR 44 1HG THR 44 -6.548 5.377 -3.409 368 HG21 THR 44 3HG2 THR 44 -8.526 4.133 -3.735 369 HG22 THR 44 1HG2 THR 44 -8.810 3.003 -2.409 370 HG23 THR 44 2HG2 THR 44 -8.065 2.439 -3.905 371 H TYR 45 H TYR 45 -7.405 0.591 -1.841 372 HA TYR 45 HA TYR 45 -4.716 -0.602 -2.007 373 HD1 TYR 45 1HD TYR 45 -3.506 -2.371 -1.096 374 HD2 TYR 45 2HD TYR 45 -7.371 -4.141 -0.995 375 HE1 TYR 45 1HE TYR 45 -2.487 -4.591 -1.359 376 HE2 TYR 45 2HE TYR 45 -6.366 -6.369 -1.257 377 HH TYR 45 HH TYR 45 -3.384 -7.125 -0.645 378 HB2 TYR 45 2HB TYR 45 -5.783 -1.314 0.065 379 HB3 TYR 45 1HB TYR 45 -7.204 -1.852 -0.824 380 H LYS 46 H LYS 46 -4.434 -2.327 -3.449 381 HA LYS 46 HA LYS 46 -6.531 -2.569 -5.503 382 HB2 LYS 46 2HB LYS 46 -3.937 -1.553 -5.808 383 HB3 LYS 46 1HB LYS 46 -3.881 -3.170 -6.498 384 HG2 LYS 46 2HG LYS 46 -4.646 -2.217 -8.358 385 HG3 LYS 46 1HG LYS 46 -6.206 -2.165 -7.531 386 HD2 LYS 46 2HD LYS 46 -6.079 0.072 -7.137 387 HD3 LYS 46 1HD LYS 46 -4.319 0.050 -6.987 388 HE2 LYS 46 2HE LYS 46 -3.985 0.214 -9.252 389 HE3 LYS 46 1HE LYS 46 -5.560 -0.486 -9.646 390 HZ1 LYS 46 3HZ LYS 46 -5.259 2.181 -8.391 391 HZ2 LYS 46 1HZ LYS 46 -6.636 1.524 -9.109 392 HZ3 LYS 46 2HZ LYS 46 -5.311 1.962 -10.064 393 H ASP 47 H ASP 47 -7.371 -4.538 -5.540 394 HA ASP 47 HA ASP 47 -5.848 -6.779 -4.457 395 HB2 ASP 47 2HB ASP 47 -8.672 -6.090 -4.687 396 HB3 ASP 47 1HB ASP 47 -8.345 -7.747 -5.197 397 H GLU 48 H GLU 48 -5.222 -5.610 -7.089 398 HA GLU 48 HA GLU 48 -5.955 -7.801 -8.885 399 HB2 GLU 48 2HB GLU 48 -5.448 -4.974 -9.235 400 HB3 GLU 48 1HB GLU 48 -4.427 -5.925 -10.304 401 HG2 GLU 48 2HG GLU 48 -6.265 -5.643 -11.617 402 HG3 GLU 48 1HG GLU 48 -6.668 -7.171 -10.836 403 H THR 49 H THR 49 -3.256 -6.315 -7.255 404 HA THR 49 HA THR 49 -1.623 -8.630 -7.739 405 HB THR 49 HB THR 49 -1.115 -7.499 -9.792 406 HG1 THR 49 1HG THR 49 0.971 -6.879 -7.979 407 HG21 THR 49 3HG2 THR 49 -0.028 -5.209 -9.695 408 HG22 THR 49 1HG2 THR 49 -0.754 -5.056 -8.098 409 HG23 THR 49 2HG2 THR 49 -1.781 -5.275 -9.509 410 H LYS 50 H LYS 50 -2.771 -7.093 -5.505 411 HA LYS 50 HA LYS 50 -2.207 -6.362 -3.425 412 HB2 LYS 50 2HB LYS 50 0.066 -8.115 -4.225 413 HB3 LYS 50 1HB LYS 50 0.256 -7.136 -2.777 414 HG2 LYS 50 2HG LYS 50 -1.648 -8.159 -1.756 415 HG3 LYS 50 1HG LYS 50 -2.046 -9.015 -3.246 416 HD2 LYS 50 2HD LYS 50 -0.056 -10.346 -3.081 417 HD3 LYS 50 1HD LYS 50 0.521 -9.396 -1.711 418 HE2 LYS 50 2HE LYS 50 -1.894 -10.185 -0.791 419 HE3 LYS 50 1HE LYS 50 -1.478 -11.556 -1.819 420 HZ1 LYS 50 3HZ LYS 50 -0.717 -11.426 0.680 421 HZ2 LYS 50 1HZ LYS 50 0.571 -10.557 0.012 422 HZ3 LYS 50 2HZ LYS 50 0.261 -12.137 -0.500 423 H THR 51 H THR 51 -2.264 -4.154 -4.233 424 HA THR 51 HA THR 51 0.321 -2.854 -3.867 425 HB THR 51 HB THR 51 -1.452 -2.333 -6.259 426 HG1 THR 51 1HG THR 51 -0.120 -4.216 -6.400 427 HG21 THR 51 3HG2 THR 51 1.047 -1.157 -6.638 428 HG22 THR 51 1HG2 THR 51 0.532 -0.677 -5.020 429 HG23 THR 51 2HG2 THR 51 -0.503 -0.345 -6.409 430 H PHE 52 H PHE 52 0.173 -1.108 -2.625 431 HA PHE 52 HA PHE 52 -2.486 -0.130 -1.908 432 HD1 PHE 52 1HD PHE 52 -0.389 -2.479 -0.604 433 HD2 PHE 52 2HD PHE 52 -2.490 0.535 1.542 434 HE1 PHE 52 1HE PHE 52 -1.262 -4.189 0.933 435 HE2 PHE 52 2HE PHE 52 -3.367 -1.170 3.085 436 HZ PHE 52 HZ PHE 52 -2.754 -3.535 2.782 437 HB2 PHE 52 2HB PHE 52 0.229 0.058 -0.632 438 HB3 PHE 52 1HB PHE 52 -1.066 1.159 -0.152 439 H THR 53 H THR 53 -2.988 2.114 -1.899 440 HA THR 53 HA THR 53 -1.198 3.819 -3.480 441 HB THR 53 HB THR 53 -4.185 3.763 -3.880 442 HG1 THR 53 1HG THR 53 -3.746 1.948 -4.859 443 HG21 THR 53 3HG2 THR 53 -2.642 5.772 -4.551 444 HG22 THR 53 1HG2 THR 53 -3.920 5.203 -5.623 445 HG23 THR 53 2HG2 THR 53 -2.248 4.723 -5.913 446 H VAL 54 H VAL 54 -0.694 5.545 -2.329 447 HA VAL 54 HA VAL 54 -2.781 6.890 -0.770 448 HB VAL 54 HB VAL 54 -1.605 5.593 0.889 449 HG11 VAL 54 1HG1 VAL 54 0.975 6.879 0.037 450 HG12 VAL 54 2HG1 VAL 54 0.447 5.305 -0.560 451 HG13 VAL 54 3HG1 VAL 54 0.740 5.542 1.164 452 HG21 VAL 54 3HG2 VAL 54 -0.182 7.924 1.698 453 HG22 VAL 54 1HG2 VAL 54 -1.740 7.329 2.273 454 HG23 VAL 54 2HG2 VAL 54 -1.670 8.436 0.902 455 H THR 55 H THR 55 -2.658 9.111 -0.837 456 HA THR 55 HA THR 55 -0.217 10.325 -1.901 457 HB THR 55 HB THR 55 -1.080 10.981 -3.863 458 HG1 THR 55 1HG THR 55 -3.461 11.674 -2.496 459 HG21 THR 55 3HG2 THR 55 -1.981 8.820 -4.123 460 HG22 THR 55 1HG2 THR 55 -3.231 9.949 -4.647 461 HG23 THR 55 2HG2 THR 55 -3.345 9.183 -3.063 462 H GLU 56 H GLU 56 0.319 12.108 -0.832 463 HA GLU 56 HA GLU 56 -1.729 13.372 0.861 464 HB2 GLU 56 2HB GLU 56 0.517 12.242 1.751 465 HB3 GLU 56 1HB GLU 56 1.162 13.834 1.376 466 HG2 GLU 56 2HG GLU 56 -1.332 13.650 2.975 467 HG3 GLU 56 1HG GLU 56 0.200 13.267 3.749 Start of MODEL 18 1 HA THR 1 HA THR 1 4.595 -12.850 -1.147 2 HB THR 1 HB THR 1 3.951 -12.524 -4.042 3 HG1 THR 1 1HG THR 1 2.728 -14.386 -2.307 4 H1 THR 1 1HT THR 1 2.101 -11.805 -2.273 5 H2 THR 1 2HT THR 1 2.718 -11.263 -0.767 6 H3 THR 1 3HT THR 1 2.329 -12.919 -0.990 7 HG21 THR 1 3HG2 THR 1 5.481 -14.472 -2.381 8 HG22 THR 1 1HG2 THR 1 6.006 -13.535 -3.780 9 HG23 THR 1 2HG2 THR 1 4.921 -14.909 -3.995 10 H THR 2 H THR 2 3.454 -10.528 -3.607 11 HA THR 2 HA THR 2 5.747 -8.814 -2.913 12 HB THR 2 HB THR 2 4.420 -9.056 -5.618 13 HG1 THR 2 1HG THR 2 6.783 -10.203 -4.576 14 HG21 THR 2 3HG2 THR 2 6.292 -7.818 -6.478 15 HG22 THR 2 1HG2 THR 2 7.001 -7.712 -4.868 16 HG23 THR 2 2HG2 THR 2 5.488 -6.879 -5.217 17 H TYR 3 H TYR 3 5.143 -7.008 -1.946 18 HA TYR 3 HA TYR 3 2.479 -5.910 -2.518 19 HD1 TYR 3 2HD TYR 3 0.770 -4.638 -0.626 20 HD2 TYR 3 1HD TYR 3 3.029 -7.995 0.681 21 HE1 TYR 3 2HE TYR 3 -1.292 -5.696 0.199 22 HE2 TYR 3 1HE TYR 3 0.976 -9.066 1.507 23 HH TYR 3 HH TYR 3 -2.124 -7.960 0.695 24 HB2 TYR 3 2HB TYR 3 4.147 -6.075 -0.080 25 HB3 TYR 3 1HB TYR 3 3.277 -4.556 -0.307 26 H LYS 4 H LYS 4 2.306 -4.032 -3.565 27 HA LYS 4 HA LYS 4 4.745 -2.414 -3.896 28 HB2 LYS 4 2HB LYS 4 3.323 -3.586 -5.870 29 HB3 LYS 4 1HB LYS 4 2.489 -2.041 -5.780 30 HG2 LYS 4 2HG LYS 4 5.366 -1.715 -5.769 31 HG3 LYS 4 1HG LYS 4 4.803 -2.597 -7.190 32 HD2 LYS 4 2HD LYS 4 3.218 -0.223 -6.463 33 HD3 LYS 4 1HD LYS 4 4.867 0.105 -6.999 34 HE2 LYS 4 2HE LYS 4 3.521 0.166 -8.941 35 HE3 LYS 4 1HE LYS 4 4.388 -1.369 -8.989 36 HZ1 LYS 4 3HZ LYS 4 1.764 -1.144 -9.358 37 HZ2 LYS 4 1HZ LYS 4 1.791 -1.424 -7.689 38 HZ3 LYS 4 2HZ LYS 4 2.496 -2.540 -8.748 39 H LEU 5 H LEU 5 4.718 -0.273 -3.438 40 HA LEU 5 HA LEU 5 2.149 0.946 -2.690 41 HG LEU 5 HG LEU 5 3.678 3.289 -1.133 42 HB2 LEU 5 2HB LEU 5 3.188 0.353 -0.614 43 HB3 LEU 5 1HB LEU 5 4.728 1.025 -1.133 44 HD11 LEU 5 1HD1 LEU 5 1.416 3.107 -1.333 45 HD12 LEU 5 2HD1 LEU 5 1.543 3.264 0.418 46 HD13 LEU 5 3HD1 LEU 5 1.327 1.674 -0.312 47 HD21 LEU 5 3HD2 LEU 5 3.906 3.612 1.185 48 HD22 LEU 5 1HD2 LEU 5 4.956 2.249 0.802 49 HD23 LEU 5 2HD2 LEU 5 3.384 1.969 1.549 50 H ILE 6 H ILE 6 1.842 2.997 -3.360 51 HA ILE 6 HA ILE 6 4.133 4.469 -4.461 52 HB ILE 6 HB ILE 6 2.592 5.265 -6.311 53 HG12 ILE 6 2HG1 ILE 6 1.044 2.792 -5.505 54 HG13 ILE 6 1HG1 ILE 6 0.493 4.448 -5.281 55 HG21 ILE 6 1HG2 ILE 6 2.936 2.397 -6.822 56 HG22 ILE 6 2HG2 ILE 6 4.371 3.218 -6.208 57 HG23 ILE 6 3HG2 ILE 6 3.587 3.790 -7.682 58 HD11 ILE 6 3HD1 ILE 6 1.232 4.036 -8.013 59 HD12 ILE 6 1HD1 ILE 6 -0.329 4.492 -7.332 60 HD13 ILE 6 2HD1 ILE 6 0.098 2.790 -7.497 61 H LEU 7 H LEU 7 4.252 6.439 -3.606 62 HA LEU 7 HA LEU 7 1.791 7.639 -2.531 63 HG LEU 7 HG LEU 7 2.478 6.352 -0.632 64 HB2 LEU 7 2HB LEU 7 4.655 7.994 -1.660 65 HB3 LEU 7 1HB LEU 7 3.317 8.965 -1.062 66 HD11 LEU 7 1HD1 LEU 7 5.411 6.516 -0.561 67 HD12 LEU 7 2HD1 LEU 7 4.355 5.118 -0.747 68 HD13 LEU 7 3HD1 LEU 7 4.661 5.787 0.857 69 HD21 LEU 7 3HD2 LEU 7 2.717 8.666 0.781 70 HD22 LEU 7 1HD2 LEU 7 3.870 7.622 1.612 71 HD23 LEU 7 2HD2 LEU 7 2.185 7.127 1.451 72 H ASN 8 H ASN 8 1.159 9.602 -3.210 73 HA ASN 8 HA ASN 8 2.992 11.079 -4.985 74 HB2 ASN 8 2HB ASN 8 -0.013 11.053 -5.279 75 HB3 ASN 8 1HB ASN 8 1.179 11.675 -6.415 76 HD21 ASN 8 1HD2 ASN 8 -0.911 9.267 -5.965 77 HD22 ASN 8 2HD2 ASN 8 -0.126 7.996 -6.851 78 H LEU 9 H LEU 9 3.434 13.080 -4.358 79 HA LEU 9 HA LEU 9 1.584 14.412 -2.489 80 HG LEU 9 HG LEU 9 3.794 12.524 -1.651 81 HB2 LEU 9 2HB LEU 9 4.573 14.774 -2.614 82 HB3 LEU 9 1HB LEU 9 3.478 15.505 -1.458 83 HD11 LEU 9 1HD1 LEU 9 5.836 14.314 -0.937 84 HD12 LEU 9 2HD1 LEU 9 5.804 12.571 -0.714 85 HD13 LEU 9 3HD1 LEU 9 5.226 13.636 0.566 86 HD21 LEU 9 3HD2 LEU 9 1.966 13.994 -0.338 87 HD22 LEU 9 1HD2 LEU 9 3.240 13.934 0.880 88 HD23 LEU 9 2HD2 LEU 9 2.563 12.438 0.240 89 H LYS 10 H LYS 10 2.316 16.910 -2.439 90 HA LYS 10 HA LYS 10 1.839 17.817 -5.155 91 HB2 LYS 10 2HB LYS 10 1.443 18.910 -2.439 92 HB3 LYS 10 1HB LYS 10 1.870 20.097 -3.673 93 HG2 LYS 10 2HG LYS 10 -0.134 18.385 -4.737 94 HG3 LYS 10 1HG LYS 10 -0.655 18.927 -3.136 95 HD2 LYS 10 2HD LYS 10 -1.424 20.694 -4.347 96 HD3 LYS 10 1HD LYS 10 0.229 21.259 -4.090 97 HE2 LYS 10 2HE LYS 10 0.527 21.334 -6.288 98 HE3 LYS 10 1HE LYS 10 0.254 19.592 -6.381 99 HZ1 LYS 10 3HZ LYS 10 -1.348 20.452 -7.778 100 HZ2 LYS 10 1HZ LYS 10 -1.649 21.803 -6.809 101 HZ3 LYS 10 2HZ LYS 10 -2.221 20.278 -6.333 102 H GLN 11 H GLN 11 4.500 17.366 -3.140 103 HA GLN 11 HA GLN 11 6.046 19.432 -4.558 104 HB2 GLN 11 2HB GLN 11 7.707 19.187 -2.735 105 HB3 GLN 11 1HB GLN 11 6.135 19.725 -2.165 106 HG2 GLN 11 2HG GLN 11 6.087 16.935 -2.018 107 HG3 GLN 11 1HG GLN 11 7.668 17.423 -1.412 108 HE21 GLN 11 1HE2 GLN 11 7.815 18.266 0.575 109 HE22 GLN 11 2HE2 GLN 11 6.477 18.616 1.605 110 H ALA 12 H ALA 12 5.868 16.020 -3.787 111 HA ALA 12 HA ALA 12 7.472 15.345 -6.056 112 HB1 ALA 12 1HB ALA 12 9.237 14.135 -4.764 113 HB2 ALA 12 2HB ALA 12 8.651 14.950 -3.312 114 HB3 ALA 12 3HB ALA 12 9.311 15.889 -4.639 115 H LYS 13 H LYS 13 7.267 13.188 -6.640 116 HA LYS 13 HA LYS 13 5.466 11.585 -4.947 117 HB2 LYS 13 2HB LYS 13 5.723 11.589 -7.961 118 HB3 LYS 13 1HB LYS 13 4.662 10.540 -7.029 119 HG2 LYS 13 2HG LYS 13 3.082 12.092 -6.942 120 HG3 LYS 13 1HG LYS 13 4.222 13.298 -6.332 121 HD2 LYS 13 2HD LYS 13 3.936 14.343 -8.284 122 HD3 LYS 13 1HD LYS 13 4.919 13.060 -8.992 123 HE2 LYS 13 2HE LYS 13 2.574 11.817 -9.039 124 HE3 LYS 13 1HE LYS 13 1.978 13.478 -9.064 125 HZ1 LYS 13 3HZ LYS 13 3.684 13.757 -10.955 126 HZ2 LYS 13 1HZ LYS 13 2.214 12.987 -11.286 127 HZ3 LYS 13 2HZ LYS 13 3.615 12.067 -11.061 128 H GLU 14 H GLU 14 6.295 9.773 -4.165 129 HA GLU 14 HA GLU 14 8.550 8.519 -5.590 130 HB2 GLU 14 2HB GLU 14 8.136 8.552 -2.596 131 HB3 GLU 14 1HB GLU 14 9.511 7.878 -3.462 132 HG2 GLU 14 2HG GLU 14 8.838 10.760 -3.772 133 HG3 GLU 14 1HG GLU 14 9.679 10.210 -2.325 134 H GLU 15 H GLU 15 8.714 6.227 -5.444 135 HA GLU 15 HA GLU 15 6.420 4.788 -4.364 136 HB2 GLU 15 2HB GLU 15 6.315 3.483 -6.574 137 HB3 GLU 15 1HB GLU 15 5.583 5.082 -6.532 138 HG2 GLU 15 2HG GLU 15 7.255 6.028 -7.821 139 HG3 GLU 15 1HG GLU 15 8.403 4.739 -7.453 140 H ALA 16 H ALA 16 6.768 2.471 -4.233 141 HA ALA 16 HA ALA 16 9.425 1.455 -4.757 142 HB1 ALA 16 1HB ALA 16 9.398 2.694 -2.480 143 HB2 ALA 16 2HB ALA 16 10.143 1.100 -2.587 144 HB3 ALA 16 3HB ALA 16 8.524 1.274 -1.912 145 H ILE 17 H ILE 17 9.598 -0.873 -3.917 146 HA ILE 17 HA ILE 17 6.983 -2.210 -3.945 147 HB ILE 17 HB ILE 17 7.858 -2.307 -6.229 148 HG12 ILE 17 2HG1 ILE 17 8.341 -5.069 -5.819 149 HG13 ILE 17 1HG1 ILE 17 7.193 -4.566 -4.583 150 HG21 ILE 17 1HG2 ILE 17 10.246 -2.110 -5.624 151 HG22 ILE 17 2HG2 ILE 17 9.926 -3.409 -6.772 152 HG23 ILE 17 3HG2 ILE 17 10.215 -3.784 -5.075 153 HD11 ILE 17 3HD1 ILE 17 5.542 -4.229 -6.068 154 HD12 ILE 17 1HD1 ILE 17 6.485 -5.363 -7.035 155 HD13 ILE 17 2HD1 ILE 17 6.635 -3.625 -7.314 156 H LYS 18 H LYS 18 6.794 -3.635 -2.346 157 HA LYS 18 HA LYS 18 9.249 -4.764 -1.165 158 HB2 LYS 18 2HB LYS 18 6.749 -4.404 0.446 159 HB3 LYS 18 1HB LYS 18 8.415 -4.507 0.992 160 HG2 LYS 18 2HG LYS 18 7.590 -2.172 -0.660 161 HG3 LYS 18 1HG LYS 18 7.109 -2.240 1.034 162 HD2 LYS 18 2HD LYS 18 9.147 -1.068 1.016 163 HD3 LYS 18 1HD LYS 18 9.557 -2.698 1.552 164 HE2 LYS 18 2HE LYS 18 10.409 -3.270 -0.600 165 HE3 LYS 18 1HE LYS 18 9.777 -1.784 -1.308 166 HZ1 LYS 18 3HZ LYS 18 12.186 -2.215 0.257 167 HZ2 LYS 18 1HZ LYS 18 11.336 -0.790 0.595 168 HZ3 LYS 18 2HZ LYS 18 11.879 -1.100 -0.978 169 H GLU 19 H GLU 19 8.673 -6.776 0.212 170 HA GLU 19 HA GLU 19 6.696 -8.411 -1.241 171 HB2 GLU 19 2HB GLU 19 8.243 -10.347 -0.914 172 HB3 GLU 19 1HB GLU 19 8.863 -9.109 -2.000 173 HG2 GLU 19 2HG GLU 19 10.401 -8.332 -0.412 174 HG3 GLU 19 1HG GLU 19 9.601 -9.189 0.903 175 H LEU 20 H LEU 20 5.284 -9.505 -0.009 176 HA LEU 20 HA LEU 20 5.924 -10.182 2.739 177 HG LEU 20 HG LEU 20 4.190 -7.574 4.537 178 HB2 LEU 20 2HB LEU 20 4.405 -7.855 2.093 179 HB3 LEU 20 1HB LEU 20 3.322 -9.024 2.831 180 HD11 LEU 20 1HD1 LEU 20 5.076 -10.409 4.499 181 HD12 LEU 20 2HD1 LEU 20 3.915 -9.599 5.551 182 HD13 LEU 20 3HD1 LEU 20 5.644 -9.373 5.808 183 HD21 LEU 20 3HD2 LEU 20 6.409 -7.046 4.874 184 HD22 LEU 20 1HD2 LEU 20 6.318 -7.118 3.114 185 HD23 LEU 20 2HD2 LEU 20 6.989 -8.474 4.019 186 H VAL 21 H VAL 21 3.369 -10.857 3.608 187 HA VAL 21 HA VAL 21 2.512 -12.856 1.621 188 HB VAL 21 HB VAL 21 3.806 -13.951 3.383 189 HG11 VAL 21 1HG1 VAL 21 1.691 -13.207 5.361 190 HG12 VAL 21 2HG1 VAL 21 3.084 -12.164 5.089 191 HG13 VAL 21 3HG1 VAL 21 3.320 -13.820 5.645 192 HG21 VAL 21 3HG2 VAL 21 1.566 -15.248 4.303 193 HG22 VAL 21 1HG2 VAL 21 2.407 -15.595 2.793 194 HG23 VAL 21 2HG2 VAL 21 1.005 -14.523 2.794 195 H ASP 22 H ASP 22 1.564 -11.031 4.511 196 HA ASP 22 HA ASP 22 -1.213 -11.095 3.530 197 HB2 ASP 22 2HB ASP 22 -0.104 -11.615 6.228 198 HB3 ASP 22 1HB ASP 22 -1.564 -10.629 6.170 199 H ALA 23 H ALA 23 -2.330 -9.179 3.501 200 HA ALA 23 HA ALA 23 -0.873 -6.798 3.321 201 HB1 ALA 23 1HB ALA 23 -3.746 -6.549 3.937 202 HB2 ALA 23 2HB ALA 23 -3.325 -7.520 2.523 203 HB3 ALA 23 3HB ALA 23 -2.791 -5.840 2.632 204 H ALA 24 H ALA 24 -2.382 -8.331 6.057 205 HA ALA 24 HA ALA 24 -2.689 -6.168 7.779 206 HB1 ALA 24 1HB ALA 24 -3.247 -8.688 8.113 207 HB2 ALA 24 2HB ALA 24 -2.826 -7.703 9.513 208 HB3 ALA 24 3HB ALA 24 -1.624 -8.776 8.795 209 H THR 25 H THR 25 0.135 -8.253 7.261 210 HA THR 25 HA THR 25 1.841 -6.714 8.948 211 HB THR 25 HB THR 25 2.271 -8.930 6.962 212 HG1 THR 25 1HG THR 25 2.861 -8.661 9.723 213 HG21 THR 25 3HG2 THR 25 4.487 -7.480 8.395 214 HG22 THR 25 1HG2 THR 25 4.206 -7.485 6.652 215 HG23 THR 25 2HG2 THR 25 4.644 -8.981 7.481 216 H ALA 26 H ALA 26 1.332 -6.936 5.436 217 HA ALA 26 HA ALA 26 3.334 -5.217 4.595 218 HB1 ALA 26 1HB ALA 26 0.538 -5.459 3.463 219 HB2 ALA 26 2HB ALA 26 1.915 -6.480 3.043 220 HB3 ALA 26 3HB ALA 26 1.932 -4.765 2.631 221 H GLU 27 H GLU 27 0.008 -4.468 5.506 222 HA GLU 27 HA GLU 27 -0.008 -1.729 5.270 223 HB2 GLU 27 2HB GLU 27 -1.989 -3.079 5.801 224 HB3 GLU 27 1HB GLU 27 -1.326 -3.438 7.391 225 HG2 GLU 27 2HG GLU 27 -1.627 -0.581 6.692 226 HG3 GLU 27 1HG GLU 27 -3.109 -1.501 6.940 227 H LYS 28 H LYS 28 1.318 -3.745 7.832 228 HA LYS 28 HA LYS 28 1.805 -1.638 9.675 229 HB2 LYS 28 2HB LYS 28 3.265 -4.274 9.417 230 HB3 LYS 28 1HB LYS 28 3.261 -3.223 10.826 231 HG2 LYS 28 2HG LYS 28 0.595 -4.017 9.934 232 HG3 LYS 28 1HG LYS 28 1.616 -5.361 10.446 233 HD2 LYS 28 2HD LYS 28 1.600 -2.964 12.183 234 HD3 LYS 28 1HD LYS 28 0.121 -3.925 12.144 235 HE2 LYS 28 2HE LYS 28 1.079 -5.683 13.199 236 HE3 LYS 28 1HE LYS 28 2.637 -5.439 12.409 237 HZ1 LYS 28 3HZ LYS 28 3.213 -3.770 13.941 238 HZ2 LYS 28 1HZ LYS 28 2.561 -5.022 14.874 239 HZ3 LYS 28 2HZ LYS 28 1.637 -3.645 14.543 240 H TYR 29 H TYR 29 3.858 -3.303 7.321 241 HA TYR 29 HA TYR 29 6.129 -1.631 7.766 242 HD1 TYR 29 2HD TYR 29 6.452 -1.590 4.018 243 HD2 TYR 29 1HD TYR 29 8.689 -3.767 6.910 244 HE1 TYR 29 2HE TYR 29 8.533 -0.935 2.893 245 HE2 TYR 29 1HE TYR 29 10.780 -3.117 5.790 246 HH TYR 29 HH TYR 29 11.052 -0.667 3.685 247 HB2 TYR 29 2HB TYR 29 6.362 -3.923 6.921 248 HB3 TYR 29 1HB TYR 29 5.456 -3.488 5.472 249 H PHE 30 H PHE 30 4.021 -2.012 4.928 250 HA PHE 30 HA PHE 30 4.916 0.075 3.417 251 HD1 PHE 30 2HD PHE 30 5.373 -0.204 1.900 252 HD2 PHE 30 1HD PHE 30 1.613 -2.074 1.154 253 HE1 PHE 30 2HE PHE 30 6.148 -0.867 -0.328 254 HE2 PHE 30 1HE PHE 30 2.393 -2.732 -1.080 255 HZ PHE 30 HZ PHE 30 4.659 -2.129 -1.822 256 HB2 PHE 30 2HB PHE 30 2.526 -1.576 3.525 257 HB3 PHE 30 1HB PHE 30 2.162 0.043 2.940 258 H LYS 31 H LYS 31 2.351 0.242 5.889 259 HA LYS 31 HA LYS 31 1.784 2.977 5.488 260 HB2 LYS 31 2HB LYS 31 0.354 1.324 6.752 261 HB3 LYS 31 1HB LYS 31 1.488 1.485 8.096 262 HG2 LYS 31 2HG LYS 31 0.342 3.978 6.981 263 HG3 LYS 31 1HG LYS 31 -0.733 2.928 7.907 264 HD2 LYS 31 2HD LYS 31 1.963 3.658 8.984 265 HD3 LYS 31 1HD LYS 31 0.613 4.783 9.131 266 HE2 LYS 31 2HE LYS 31 0.216 3.669 11.044 267 HE3 LYS 31 1HE LYS 31 -0.554 2.497 9.976 268 HZ1 LYS 31 3HZ LYS 31 2.307 2.175 10.350 269 HZ2 LYS 31 1HZ LYS 31 1.083 1.008 10.286 270 HZ3 LYS 31 2HZ LYS 31 1.356 1.870 11.715 271 H LEU 32 H LEU 32 4.083 1.313 7.594 272 HA LEU 32 HA LEU 32 4.927 3.537 9.074 273 HG LEU 32 HG LEU 32 6.064 1.001 11.020 274 HB2 LEU 32 2HB LEU 32 5.634 0.830 8.850 275 HB3 LEU 32 1HB LEU 32 7.108 1.752 8.619 276 HD11 LEU 32 1HD1 LEU 32 7.847 3.359 10.507 277 HD12 LEU 32 2HD1 LEU 32 8.364 1.675 10.533 278 HD13 LEU 32 3HD1 LEU 32 7.750 2.432 12.003 279 HD21 LEU 32 3HD2 LEU 32 4.254 2.727 10.705 280 HD22 LEU 32 1HD2 LEU 32 5.522 3.942 10.875 281 HD23 LEU 32 2HD2 LEU 32 5.182 2.829 12.201 282 H TYR 33 H TYR 33 5.738 2.432 5.878 283 HA TYR 33 HA TYR 33 8.030 4.140 5.577 284 HD1 TYR 33 2HD TYR 33 6.049 4.456 2.152 285 HD2 TYR 33 1HD TYR 33 9.878 2.786 2.974 286 HE1 TYR 33 2HE TYR 33 6.938 5.498 0.113 287 HE2 TYR 33 1HE TYR 33 10.773 3.823 0.933 288 HH TYR 33 HH TYR 33 8.809 5.136 -1.478 289 HB2 TYR 33 2HB TYR 33 8.069 2.155 4.284 290 HB3 TYR 33 1HB TYR 33 6.426 2.409 3.699 291 H ALA 34 H ALA 34 4.709 4.116 4.318 292 HA ALA 34 HA ALA 34 4.916 6.581 2.947 293 HB1 ALA 34 1HB ALA 34 3.163 5.417 2.116 294 HB2 ALA 34 2HB ALA 34 2.279 6.378 3.301 295 HB3 ALA 34 3HB ALA 34 2.740 4.719 3.679 296 H ASN 35 H ASN 35 4.072 5.732 6.237 297 HA ASN 35 HA ASN 35 3.027 8.334 6.879 298 HB2 ASN 35 2HB ASN 35 2.470 6.043 7.980 299 HB3 ASN 35 1HB ASN 35 3.923 6.334 8.931 300 HD21 ASN 35 1HD2 ASN 35 3.080 6.731 10.884 301 HD22 ASN 35 2HD2 ASN 35 1.976 8.012 11.239 302 H ALA 36 H ALA 36 6.126 6.753 7.011 303 HA ALA 36 HA ALA 36 7.269 8.860 8.667 304 HB1 ALA 36 1HB ALA 36 8.361 6.284 7.575 305 HB2 ALA 36 2HB ALA 36 8.058 6.725 9.255 306 HB3 ALA 36 3HB ALA 36 9.382 7.480 8.369 307 H LYS 37 H LYS 37 7.879 7.427 5.458 308 HA LYS 37 HA LYS 37 9.791 9.298 4.631 309 HB2 LYS 37 2HB LYS 37 7.863 7.834 2.826 310 HB3 LYS 37 1HB LYS 37 9.456 8.450 2.410 311 HG2 LYS 37 2HG LYS 37 9.474 6.575 4.648 312 HG3 LYS 37 1HG LYS 37 8.885 5.881 3.137 313 HD2 LYS 37 2HD LYS 37 10.957 5.756 2.341 314 HD3 LYS 37 1HD LYS 37 11.199 7.483 2.607 315 HE2 LYS 37 2HE LYS 37 11.583 6.804 5.075 316 HE3 LYS 37 1HE LYS 37 11.820 5.182 4.420 317 HZ1 LYS 37 3HZ LYS 37 13.937 5.920 4.294 318 HZ2 LYS 37 1HZ LYS 37 13.500 7.551 4.171 319 HZ3 LYS 37 2HZ LYS 37 13.408 6.546 2.817 320 H THR 38 H THR 38 6.444 9.103 3.403 321 HA THR 38 HA THR 38 6.523 12.023 3.034 322 HB THR 38 HB THR 38 4.986 11.776 1.233 323 HG1 THR 38 1HG THR 38 3.527 10.307 1.749 324 HG21 THR 38 3HG2 THR 38 6.012 9.908 -0.180 325 HG22 THR 38 1HG2 THR 38 7.118 9.680 1.174 326 HG23 THR 38 2HG2 THR 38 7.057 11.231 0.338 327 H VAL 39 H VAL 39 3.640 12.203 2.600 328 HA VAL 39 HA VAL 39 2.790 12.017 5.405 329 HB VAL 39 HB VAL 39 1.503 13.654 3.220 330 HG11 VAL 39 1HG1 VAL 39 1.115 13.364 6.159 331 HG12 VAL 39 2HG1 VAL 39 -0.077 13.507 4.872 332 HG13 VAL 39 3HG1 VAL 39 0.821 14.928 5.406 333 HG21 VAL 39 3HG2 VAL 39 2.676 15.587 4.165 334 HG22 VAL 39 1HG2 VAL 39 3.805 14.393 3.523 335 HG23 VAL 39 2HG2 VAL 39 3.545 14.518 5.264 336 H GLU 40 H GLU 40 0.532 11.473 5.835 337 HA GLU 40 HA GLU 40 -0.376 9.354 4.027 338 HB2 GLU 40 2HB GLU 40 -0.453 9.789 6.924 339 HB3 GLU 40 1HB GLU 40 -1.971 9.194 6.264 340 HG2 GLU 40 2HG GLU 40 -0.508 7.426 5.093 341 HG3 GLU 40 1HG GLU 40 0.720 7.895 6.267 342 H GLY 41 H GLY 41 -1.880 9.895 2.600 343 HA2 GLY 41 2HA GLY 41 -3.968 11.805 3.443 344 HA3 GLY 41 1HA GLY 41 -3.295 11.790 1.813 345 H VAL 42 H VAL 42 -4.908 11.156 0.518 346 HA VAL 42 HA VAL 42 -6.945 9.328 1.321 347 HB VAL 42 HB VAL 42 -7.637 9.361 -1.059 348 HG11 VAL 42 1HG1 VAL 42 -7.203 11.843 0.521 349 HG12 VAL 42 2HG1 VAL 42 -8.708 11.044 0.059 350 HG13 VAL 42 3HG1 VAL 42 -7.815 11.994 -1.126 351 HG21 VAL 42 3HG2 VAL 42 -6.228 11.343 -2.268 352 HG22 VAL 42 1HG2 VAL 42 -5.941 9.617 -2.514 353 HG23 VAL 42 2HG2 VAL 42 -4.959 10.521 -1.363 354 H TRP 43 H TRP 43 -6.659 7.294 1.624 355 HA TRP 43 HA TRP 43 -4.538 5.821 0.349 356 HD1 TRP 43 HD TRP 43 -4.881 7.073 3.906 357 HE1 TRP 43 1HE TRP 43 -2.583 6.719 5.015 358 HE3 TRP 43 3HE TRP 43 -3.538 2.722 1.600 359 HZ2 TRP 43 2HZ TRP 43 -0.477 4.837 4.920 360 HZ3 TRP 43 3HZ TRP 43 -1.362 1.708 2.159 361 HH2 TRP 43 HH TRP 43 0.131 2.745 3.785 362 HB2 TRP 43 2HB TRP 43 -6.479 5.360 2.563 363 HB3 TRP 43 1HB TRP 43 -5.712 3.961 1.813 364 H THR 44 H THR 44 -4.833 3.943 -0.889 365 HA THR 44 HA THR 44 -7.463 3.154 -1.764 366 HB THR 44 HB THR 44 -5.775 3.772 -4.089 367 HG1 THR 44 1HG THR 44 -5.382 5.741 -3.510 368 HG21 THR 44 3HG2 THR 44 -8.246 5.053 -4.280 369 HG22 THR 44 1HG2 THR 44 -8.557 3.518 -3.472 370 HG23 THR 44 2HG2 THR 44 -7.753 3.540 -5.042 371 H TYR 45 H TYR 45 -7.314 1.016 -1.629 372 HA TYR 45 HA TYR 45 -4.760 -0.291 -2.151 373 HD1 TYR 45 1HD TYR 45 -3.722 -2.013 -0.336 374 HD2 TYR 45 2HD TYR 45 -7.380 -3.651 -1.767 375 HE1 TYR 45 1HE TYR 45 -2.691 -4.244 -0.402 376 HE2 TYR 45 2HE TYR 45 -6.359 -5.886 -1.837 377 HH TYR 45 HH TYR 45 -4.186 -6.917 -1.944 378 HB2 TYR 45 2HB TYR 45 -5.973 -0.836 -0.076 379 HB3 TYR 45 1HB TYR 45 -7.327 -1.427 -1.030 380 H LYS 46 H LYS 46 -4.535 -2.055 -3.557 381 HA LYS 46 HA LYS 46 -6.627 -2.265 -5.623 382 HB2 LYS 46 2HB LYS 46 -3.732 -1.769 -5.840 383 HB3 LYS 46 1HB LYS 46 -4.346 -3.009 -6.927 384 HG2 LYS 46 2HG LYS 46 -4.427 -0.979 -8.112 385 HG3 LYS 46 1HG LYS 46 -6.089 -1.343 -7.651 386 HD2 LYS 46 2HD LYS 46 -6.110 0.307 -5.994 387 HD3 LYS 46 1HD LYS 46 -4.350 0.419 -5.961 388 HE2 LYS 46 2HE LYS 46 -4.850 1.084 -8.533 389 HE3 LYS 46 1HE LYS 46 -6.299 1.709 -7.748 390 HZ1 LYS 46 3HZ LYS 46 -3.480 2.460 -7.274 391 HZ2 LYS 46 1HZ LYS 46 -4.680 2.786 -6.125 392 HZ3 LYS 46 2HZ LYS 46 -4.785 3.457 -7.675 393 H ASP 47 H ASP 47 -7.441 -4.237 -5.900 394 HA ASP 47 HA ASP 47 -6.142 -6.486 -4.567 395 HB2 ASP 47 2HB ASP 47 -8.867 -5.710 -5.083 396 HB3 ASP 47 1HB ASP 47 -8.576 -7.332 -5.716 397 H GLU 48 H GLU 48 -5.154 -5.366 -7.128 398 HA GLU 48 HA GLU 48 -5.748 -7.458 -9.052 399 HB2 GLU 48 2HB GLU 48 -4.165 -4.909 -9.152 400 HB3 GLU 48 1HB GLU 48 -4.001 -6.115 -10.421 401 HG2 GLU 48 2HG GLU 48 -6.499 -4.646 -9.616 402 HG3 GLU 48 1HG GLU 48 -5.575 -4.452 -11.105 403 H THR 49 H THR 49 -3.138 -6.382 -6.980 404 HA THR 49 HA THR 49 -1.924 -8.965 -6.994 405 HB THR 49 HB THR 49 -0.193 -6.772 -8.116 406 HG1 THR 49 1HG THR 49 -1.567 -7.002 -9.751 407 HG21 THR 49 3HG2 THR 49 1.325 -8.425 -8.690 408 HG22 THR 49 1HG2 THR 49 0.131 -9.715 -8.529 409 HG23 THR 49 2HG2 THR 49 0.768 -8.913 -7.096 410 H LYS 50 H LYS 50 -2.981 -7.147 -5.061 411 HA LYS 50 HA LYS 50 -2.520 -6.338 -2.984 412 HB2 LYS 50 2HB LYS 50 -0.173 -8.117 -3.513 413 HB3 LYS 50 1HB LYS 50 -0.164 -7.091 -2.085 414 HG2 LYS 50 2HG LYS 50 -1.036 -9.064 -1.276 415 HG3 LYS 50 1HG LYS 50 -2.490 -8.125 -1.621 416 HD2 LYS 50 2HD LYS 50 -1.391 -9.875 -3.764 417 HD3 LYS 50 1HD LYS 50 -2.243 -10.633 -2.416 418 HE2 LYS 50 2HE LYS 50 -3.858 -8.492 -3.134 419 HE3 LYS 50 1HE LYS 50 -3.286 -9.135 -4.672 420 HZ1 LYS 50 3HZ LYS 50 -5.400 -10.093 -3.412 421 HZ2 LYS 50 1HZ LYS 50 -4.215 -11.077 -2.710 422 HZ3 LYS 50 2HZ LYS 50 -4.411 -11.057 -4.391 423 H THR 51 H THR 51 -2.503 -4.186 -3.866 424 HA THR 51 HA THR 51 0.143 -2.945 -3.643 425 HB THR 51 HB THR 51 -1.823 -2.400 -5.876 426 HG1 THR 51 1HG THR 51 -0.750 -3.952 -6.770 427 HG21 THR 51 3HG2 THR 51 -0.763 -0.337 -5.397 428 HG22 THR 51 1HG2 THR 51 0.043 -1.020 -6.809 429 HG23 THR 51 2HG2 THR 51 0.812 -1.112 -5.223 430 H PHE 52 H PHE 52 0.182 -1.025 -2.624 431 HA PHE 52 HA PHE 52 -2.397 0.058 -1.696 432 HD1 PHE 52 1HD PHE 52 -0.038 -2.418 -0.115 433 HD2 PHE 52 2HD PHE 52 -2.713 0.513 1.424 434 HE1 PHE 52 1HE PHE 52 -1.000 -4.096 1.407 435 HE2 PHE 52 2HE PHE 52 -3.677 -1.161 2.949 436 HZ PHE 52 HZ PHE 52 -2.820 -3.468 2.939 437 HB2 PHE 52 2HB PHE 52 0.343 -0.019 -0.451 438 HB3 PHE 52 1HB PHE 52 -0.857 1.161 0.077 439 H THR 53 H THR 53 -2.895 2.169 -2.089 440 HA THR 53 HA THR 53 -0.820 3.866 -3.301 441 HB THR 53 HB THR 53 -3.667 3.605 -4.278 442 HG1 THR 53 1HG THR 53 -2.446 1.870 -4.970 443 HG21 THR 53 3HG2 THR 53 -1.692 4.957 -5.958 444 HG22 THR 53 1HG2 THR 53 -2.151 5.833 -4.498 445 HG23 THR 53 2HG2 THR 53 -3.387 5.339 -5.655 446 H VAL 54 H VAL 54 -0.547 5.603 -2.072 447 HA VAL 54 HA VAL 54 -2.922 6.925 -0.952 448 HB VAL 54 HB VAL 54 -1.956 5.636 0.870 449 HG11 VAL 54 1HG1 VAL 54 0.301 5.375 0.091 450 HG12 VAL 54 2HG1 VAL 54 0.331 6.144 1.676 451 HG13 VAL 54 3HG1 VAL 54 0.592 7.108 0.223 452 HG21 VAL 54 3HG2 VAL 54 -1.433 7.523 2.438 453 HG22 VAL 54 1HG2 VAL 54 -2.929 7.711 1.524 454 HG23 VAL 54 2HG2 VAL 54 -1.487 8.609 1.048 455 H THR 55 H THR 55 -2.910 9.105 -1.123 456 HA THR 55 HA THR 55 -0.394 10.475 -1.707 457 HB THR 55 HB THR 55 -1.114 10.173 -3.907 458 HG1 THR 55 1HG THR 55 -2.378 12.603 -3.210 459 HG21 THR 55 3HG2 THR 55 -3.751 11.161 -4.022 460 HG22 THR 55 1HG2 THR 55 -3.693 9.913 -2.782 461 HG23 THR 55 2HG2 THR 55 -3.160 9.555 -4.424 462 H GLU 56 H GLU 56 -0.457 12.764 -1.346 463 HA GLU 56 HA GLU 56 -2.468 13.495 0.650 464 HB2 GLU 56 2HB GLU 56 0.243 13.765 0.688 465 HB3 GLU 56 1HB GLU 56 -0.245 15.359 0.128 466 HG2 GLU 56 2HG GLU 56 -1.952 14.971 2.196 467 HG3 GLU 56 1HG GLU 56 -0.527 14.112 2.762 Start of MODEL 19 1 HA THR 1 HA THR 1 4.406 -12.562 -2.758 2 HB THR 1 HB THR 1 3.610 -11.067 -0.299 3 HG1 THR 1 1HG THR 1 3.498 -12.877 0.754 4 H1 THR 1 1HT THR 1 5.257 -13.995 -1.221 5 H2 THR 1 2HT THR 1 5.658 -12.743 -0.117 6 H3 THR 1 3HT THR 1 6.562 -12.934 -1.562 7 HG21 THR 1 3HG2 THR 1 1.665 -12.579 -1.903 8 HG22 THR 1 1HG2 THR 1 2.459 -11.226 -2.707 9 HG23 THR 1 2HG2 THR 1 1.563 -10.961 -1.213 10 H THR 2 H THR 2 4.054 -10.393 -3.571 11 HA THR 2 HA THR 2 6.205 -8.534 -2.802 12 HB THR 2 HB THR 2 6.548 -9.570 -5.027 13 HG1 THR 2 1HG THR 2 5.905 -6.812 -5.148 14 HG21 THR 2 3HG2 THR 2 5.156 -9.133 -6.879 15 HG22 THR 2 1HG2 THR 2 4.136 -8.039 -5.944 16 HG23 THR 2 2HG2 THR 2 4.114 -9.771 -5.605 17 H TYR 3 H TYR 3 5.453 -6.762 -1.871 18 HA TYR 3 HA TYR 3 2.745 -5.843 -2.545 19 HD1 TYR 3 2HD TYR 3 0.937 -4.592 -0.798 20 HD2 TYR 3 1HD TYR 3 3.253 -7.803 0.753 21 HE1 TYR 3 2HE TYR 3 -1.120 -5.692 -0.022 22 HE2 TYR 3 1HE TYR 3 1.205 -8.915 1.530 23 HH TYR 3 HH TYR 3 -1.921 -7.879 0.573 24 HB2 TYR 3 2HB TYR 3 4.335 -5.905 -0.064 25 HB3 TYR 3 1HB TYR 3 3.441 -4.407 -0.329 26 H LYS 4 H LYS 4 2.443 -3.941 -3.538 27 HA LYS 4 HA LYS 4 4.805 -2.226 -3.934 28 HB2 LYS 4 2HB LYS 4 3.521 -3.418 -5.893 29 HB3 LYS 4 1HB LYS 4 2.399 -2.078 -5.700 30 HG2 LYS 4 2HG LYS 4 5.183 -1.230 -5.811 31 HG3 LYS 4 1HG LYS 4 4.646 -2.078 -7.263 32 HD2 LYS 4 2HD LYS 4 2.646 -0.198 -6.368 33 HD3 LYS 4 1HD LYS 4 4.201 0.603 -6.600 34 HE2 LYS 4 2HE LYS 4 4.095 0.403 -8.827 35 HE3 LYS 4 1HE LYS 4 3.536 -1.267 -8.738 36 HZ1 LYS 4 3HZ LYS 4 1.315 -0.558 -8.467 37 HZ2 LYS 4 1HZ LYS 4 1.941 0.352 -9.751 38 HZ3 LYS 4 2HZ LYS 4 1.766 1.052 -8.220 39 H LEU 5 H LEU 5 4.727 -0.087 -3.481 40 HA LEU 5 HA LEU 5 2.160 1.067 -2.652 41 HG LEU 5 HG LEU 5 3.901 3.416 -1.058 42 HB2 LEU 5 2HB LEU 5 3.193 0.516 -0.589 43 HB3 LEU 5 1HB LEU 5 4.754 1.126 -1.128 44 HD11 LEU 5 1HD1 LEU 5 1.695 3.611 -1.410 45 HD12 LEU 5 2HD1 LEU 5 1.571 3.401 0.336 46 HD13 LEU 5 3HD1 LEU 5 1.342 2.020 -0.738 47 HD21 LEU 5 3HD2 LEU 5 4.942 2.609 0.941 48 HD22 LEU 5 1HD2 LEU 5 3.458 1.801 1.449 49 HD23 LEU 5 2HD2 LEU 5 3.531 3.562 1.403 50 H ILE 6 H ILE 6 1.758 2.993 -3.525 51 HA ILE 6 HA ILE 6 4.021 4.503 -4.665 52 HB ILE 6 HB ILE 6 2.340 5.342 -6.373 53 HG12 ILE 6 2HG1 ILE 6 0.789 2.847 -6.074 54 HG13 ILE 6 1HG1 ILE 6 0.500 4.062 -4.831 55 HG21 ILE 6 1HG2 ILE 6 3.555 3.989 -7.645 56 HG22 ILE 6 2HG2 ILE 6 2.430 2.680 -7.277 57 HG23 ILE 6 3HG2 ILE 6 3.862 2.918 -6.277 58 HD11 ILE 6 3HD1 ILE 6 0.429 4.834 -7.710 59 HD12 ILE 6 1HD1 ILE 6 -0.381 5.572 -6.329 60 HD13 ILE 6 2HD1 ILE 6 -0.955 4.033 -6.967 61 H LEU 7 H LEU 7 4.281 6.383 -3.657 62 HA LEU 7 HA LEU 7 1.934 7.655 -2.435 63 HG LEU 7 HG LEU 7 2.728 6.343 -0.612 64 HB2 LEU 7 2HB LEU 7 4.868 7.876 -1.793 65 HB3 LEU 7 1HB LEU 7 3.652 8.959 -1.122 66 HD11 LEU 7 1HD1 LEU 7 5.684 6.630 -0.263 67 HD12 LEU 7 2HD1 LEU 7 4.758 5.263 -0.878 68 HD13 LEU 7 3HD1 LEU 7 4.744 5.632 0.847 69 HD21 LEU 7 3HD2 LEU 7 2.356 7.270 1.381 70 HD22 LEU 7 1HD2 LEU 7 3.038 8.747 0.709 71 HD23 LEU 7 2HD2 LEU 7 4.065 7.641 1.618 72 H ASN 8 H ASN 8 1.290 9.640 -3.037 73 HA ASN 8 HA ASN 8 2.987 11.086 -4.964 74 HB2 ASN 8 2HB ASN 8 -0.027 11.215 -4.940 75 HB3 ASN 8 1HB ASN 8 1.077 11.746 -6.207 76 HD21 ASN 8 1HD2 ASN 8 0.083 8.844 -4.437 77 HD22 ASN 8 2HD2 ASN 8 0.221 7.764 -5.790 78 H LEU 9 H LEU 9 3.809 12.802 -3.955 79 HA LEU 9 HA LEU 9 2.212 14.179 -1.923 80 HG LEU 9 HG LEU 9 4.487 12.373 -1.270 81 HB2 LEU 9 2HB LEU 9 5.133 14.350 -2.647 82 HB3 LEU 9 1HB LEU 9 4.365 15.379 -1.454 83 HD11 LEU 9 1HD1 LEU 9 6.550 12.545 -0.484 84 HD12 LEU 9 2HD1 LEU 9 6.002 13.680 0.747 85 HD13 LEU 9 3HD1 LEU 9 6.536 14.274 -0.828 86 HD21 LEU 9 3HD2 LEU 9 3.762 14.433 0.807 87 HD22 LEU 9 1HD2 LEU 9 3.721 12.679 0.988 88 HD23 LEU 9 2HD2 LEU 9 2.596 13.478 -0.109 89 H LYS 10 H LYS 10 2.904 16.678 -1.905 90 HA LYS 10 HA LYS 10 1.946 17.694 -4.465 91 HB2 LYS 10 2HB LYS 10 2.346 19.206 -1.880 92 HB3 LYS 10 1HB LYS 10 1.428 19.728 -3.286 93 HG2 LYS 10 2HG LYS 10 -0.405 18.693 -2.582 94 HG3 LYS 10 1HG LYS 10 0.472 17.190 -2.293 95 HD2 LYS 10 2HD LYS 10 -0.101 17.633 -0.146 96 HD3 LYS 10 1HD LYS 10 1.361 18.612 -0.208 97 HE2 LYS 10 2HE LYS 10 -1.420 19.641 -0.769 98 HE3 LYS 10 1HE LYS 10 -0.597 19.783 0.785 99 HZ1 LYS 10 3HZ LYS 10 -0.029 21.157 -1.747 100 HZ2 LYS 10 1HZ LYS 10 1.245 20.873 -0.677 101 HZ3 LYS 10 2HZ LYS 10 -0.090 21.778 -0.174 102 H GLN 11 H GLN 11 4.522 16.817 -4.656 103 HA GLN 11 HA GLN 11 5.883 19.163 -5.526 104 HB2 GLN 11 2HB GLN 11 7.906 18.830 -4.098 105 HB3 GLN 11 1HB GLN 11 6.491 19.394 -3.216 106 HG2 GLN 11 2HG GLN 11 6.059 17.056 -2.509 107 HG3 GLN 11 1HG GLN 11 7.572 16.588 -3.287 108 HE21 GLN 11 1HE2 GLN 11 7.060 16.170 -0.589 109 HE22 GLN 11 2HE2 GLN 11 8.128 17.158 0.342 110 H ALA 12 H ALA 12 6.201 15.747 -4.638 111 HA ALA 12 HA ALA 12 7.241 15.164 -7.285 112 HB1 ALA 12 1HB ALA 12 9.344 14.552 -6.743 113 HB2 ALA 12 2HB ALA 12 8.872 13.940 -5.154 114 HB3 ALA 12 3HB ALA 12 9.101 15.669 -5.402 115 H LYS 13 H LYS 13 7.232 12.886 -7.781 116 HA LYS 13 HA LYS 13 5.313 11.411 -6.126 117 HB2 LYS 13 2HB LYS 13 5.800 11.604 -9.029 118 HB3 LYS 13 1HB LYS 13 5.429 9.990 -8.438 119 HG2 LYS 13 2HG LYS 13 3.319 10.627 -7.688 120 HG3 LYS 13 1HG LYS 13 3.712 12.340 -7.732 121 HD2 LYS 13 2HD LYS 13 3.962 10.978 -10.313 122 HD3 LYS 13 1HD LYS 13 2.327 10.998 -9.663 123 HE2 LYS 13 2HE LYS 13 2.583 13.466 -9.325 124 HE3 LYS 13 1HE LYS 13 4.109 13.368 -10.198 125 HZ1 LYS 13 3HZ LYS 13 2.530 12.162 -11.932 126 HZ2 LYS 13 1HZ LYS 13 2.750 13.845 -11.920 127 HZ3 LYS 13 2HZ LYS 13 1.381 13.161 -11.200 128 H GLU 14 H GLU 14 6.027 9.763 -4.962 129 HA GLU 14 HA GLU 14 8.506 8.413 -5.809 130 HB2 GLU 14 2HB GLU 14 8.726 9.813 -3.738 131 HB3 GLU 14 1HB GLU 14 7.547 8.761 -2.967 132 HG2 GLU 14 2HG GLU 14 9.748 8.098 -2.300 133 HG3 GLU 14 1HG GLU 14 9.061 6.849 -3.337 134 H GLU 15 H GLU 15 8.361 6.304 -6.181 135 HA GLU 15 HA GLU 15 6.215 4.767 -4.899 136 HB2 GLU 15 2HB GLU 15 6.904 4.448 -7.818 137 HB3 GLU 15 1HB GLU 15 5.568 3.718 -6.944 138 HG2 GLU 15 2HG GLU 15 4.346 5.676 -6.902 139 HG3 GLU 15 1HG GLU 15 5.770 6.689 -7.151 140 H ALA 16 H ALA 16 6.670 2.582 -4.554 141 HA ALA 16 HA ALA 16 9.172 1.465 -5.485 142 HB1 ALA 16 1HB ALA 16 8.949 1.336 -2.546 143 HB2 ALA 16 2HB ALA 16 9.394 2.901 -3.227 144 HB3 ALA 16 3HB ALA 16 10.375 1.476 -3.575 145 H ILE 17 H ILE 17 9.500 -0.777 -4.447 146 HA ILE 17 HA ILE 17 6.911 -2.071 -3.932 147 HB ILE 17 HB ILE 17 7.482 -2.432 -6.293 148 HG12 ILE 17 2HG1 ILE 17 7.898 -5.126 -5.807 149 HG13 ILE 17 1HG1 ILE 17 7.180 -4.559 -4.304 150 HG21 ILE 17 1HG2 ILE 17 9.480 -3.202 -7.060 151 HG22 ILE 17 2HG2 ILE 17 9.807 -4.134 -5.601 152 HG23 ILE 17 3HG2 ILE 17 10.045 -2.387 -5.602 153 HD11 ILE 17 3HD1 ILE 17 5.804 -5.350 -6.509 154 HD12 ILE 17 1HD1 ILE 17 5.824 -3.595 -6.702 155 HD13 ILE 17 2HD1 ILE 17 5.167 -4.313 -5.230 156 H LYS 18 H LYS 18 6.933 -3.395 -2.226 157 HA LYS 18 HA LYS 18 9.514 -4.460 -1.299 158 HB2 LYS 18 2HB LYS 18 7.478 -3.760 0.750 159 HB3 LYS 18 1HB LYS 18 9.231 -3.738 0.855 160 HG2 LYS 18 2HG LYS 18 8.673 -1.739 -0.966 161 HG3 LYS 18 1HG LYS 18 7.377 -1.604 0.219 162 HD2 LYS 18 2HD LYS 18 8.897 -0.335 1.307 163 HD3 LYS 18 1HD LYS 18 9.470 -1.907 1.872 164 HE2 LYS 18 2HE LYS 18 11.445 -1.074 1.116 165 HE3 LYS 18 1HE LYS 18 10.856 -1.773 -0.393 166 HZ1 LYS 18 3HZ LYS 18 10.095 0.983 0.202 167 HZ2 LYS 18 1HZ LYS 18 10.451 0.256 -1.284 168 HZ3 LYS 18 2HZ LYS 18 11.704 0.703 -0.238 169 H GLU 19 H GLU 19 9.504 -6.544 -0.605 170 HA GLU 19 HA GLU 19 7.120 -8.092 -1.153 171 HB2 GLU 19 2HB GLU 19 9.725 -9.163 -0.089 172 HB3 GLU 19 1HB GLU 19 8.501 -10.010 -1.023 173 HG2 GLU 19 2HG GLU 19 9.706 -9.592 -2.831 174 HG3 GLU 19 1HG GLU 19 9.293 -7.888 -2.641 175 H LEU 20 H LEU 20 6.010 -9.379 0.303 176 HA LEU 20 HA LEU 20 6.723 -9.306 3.118 177 HG LEU 20 HG LEU 20 4.474 -6.743 4.318 178 HB2 LEU 20 2HB LEU 20 4.741 -7.562 1.996 179 HB3 LEU 20 1HB LEU 20 3.951 -8.714 3.061 180 HD11 LEU 20 1HD1 LEU 20 5.876 -7.660 6.087 181 HD12 LEU 20 2HD1 LEU 20 6.436 -8.930 4.999 182 HD13 LEU 20 3HD1 LEU 20 4.743 -8.869 5.486 183 HD21 LEU 20 3HD2 LEU 20 6.415 -5.573 4.243 184 HD22 LEU 20 1HD2 LEU 20 6.503 -6.313 2.643 185 HD23 LEU 20 2HD2 LEU 20 7.404 -7.011 3.988 186 H VAL 21 H VAL 21 4.352 -10.297 4.171 187 HA VAL 21 HA VAL 21 4.153 -12.893 2.792 188 HB VAL 21 HB VAL 21 3.498 -13.836 4.996 189 HG11 VAL 21 1HG1 VAL 21 6.095 -12.576 5.587 190 HG12 VAL 21 2HG1 VAL 21 5.971 -13.385 4.021 191 HG13 VAL 21 3HG1 VAL 21 5.645 -14.283 5.507 192 HG21 VAL 21 3HG2 VAL 21 4.038 -12.465 7.019 193 HG22 VAL 21 1HG2 VAL 21 2.627 -11.914 6.113 194 HG23 VAL 21 2HG2 VAL 21 4.164 -11.061 5.963 195 H ASP 22 H ASP 22 2.280 -10.544 4.692 196 HA ASP 22 HA ASP 22 -0.100 -11.313 3.169 197 HB2 ASP 22 2HB ASP 22 0.267 -12.134 5.787 198 HB3 ASP 22 1HB ASP 22 -0.714 -10.680 5.958 199 H ALA 23 H ALA 23 -1.965 -9.672 3.933 200 HA ALA 23 HA ALA 23 -0.898 -7.069 3.282 201 HB1 ALA 23 1HB ALA 23 -3.161 -8.237 2.531 202 HB2 ALA 23 2HB ALA 23 -2.991 -6.485 2.641 203 HB3 ALA 23 3HB ALA 23 -3.768 -7.380 3.948 204 H ALA 24 H ALA 24 -2.529 -8.580 6.043 205 HA ALA 24 HA ALA 24 -2.967 -6.388 7.653 206 HB1 ALA 24 1HB ALA 24 -3.667 -8.623 8.296 207 HB2 ALA 24 2HB ALA 24 -2.689 -7.906 9.577 208 HB3 ALA 24 3HB ALA 24 -1.988 -9.114 8.501 209 H THR 25 H THR 25 -0.004 -8.320 7.377 210 HA THR 25 HA THR 25 1.515 -6.624 9.088 211 HB THR 25 HB THR 25 2.151 -8.889 7.224 212 HG1 THR 25 1HG THR 25 1.716 -9.639 9.180 213 HG21 THR 25 3HG2 THR 25 4.511 -8.759 7.721 214 HG22 THR 25 1HG2 THR 25 4.265 -7.252 8.603 215 HG23 THR 25 2HG2 THR 25 3.989 -7.308 6.861 216 H ALA 26 H ALA 26 1.110 -6.945 5.582 217 HA ALA 26 HA ALA 26 3.051 -5.171 4.717 218 HB1 ALA 26 1HB ALA 26 1.621 -4.790 2.747 219 HB2 ALA 26 2HB ALA 26 0.264 -5.542 3.588 220 HB3 ALA 26 3HB ALA 26 1.687 -6.501 3.175 221 H GLU 27 H GLU 27 -0.313 -4.503 5.560 222 HA GLU 27 HA GLU 27 -0.369 -1.763 5.301 223 HB2 GLU 27 2HB GLU 27 -1.764 -3.650 7.187 224 HB3 GLU 27 1HB GLU 27 -2.096 -1.921 7.206 225 HG2 GLU 27 2HG GLU 27 -2.231 -3.109 4.544 226 HG3 GLU 27 1HG GLU 27 -3.400 -3.773 5.683 227 H LYS 28 H LYS 28 0.921 -3.749 7.891 228 HA LYS 28 HA LYS 28 1.305 -1.628 9.751 229 HB2 LYS 28 2HB LYS 28 1.457 -4.344 9.901 230 HB3 LYS 28 1HB LYS 28 3.163 -3.918 9.889 231 HG2 LYS 28 2HG LYS 28 2.594 -2.287 11.761 232 HG3 LYS 28 1HG LYS 28 1.058 -3.142 11.876 233 HD2 LYS 28 2HD LYS 28 3.472 -4.832 11.826 234 HD3 LYS 28 1HD LYS 28 3.263 -3.833 13.263 235 HE2 LYS 28 2HE LYS 28 1.459 -4.998 13.970 236 HE3 LYS 28 1HE LYS 28 0.864 -5.274 12.334 237 HZ1 LYS 28 3HZ LYS 28 3.306 -6.659 13.160 238 HZ2 LYS 28 1HZ LYS 28 2.081 -7.164 12.108 239 HZ3 LYS 28 2HZ LYS 28 1.833 -7.218 13.779 240 H TYR 29 H TYR 29 3.430 -3.272 7.449 241 HA TYR 29 HA TYR 29 5.684 -1.593 7.989 242 HD1 TYR 29 2HD TYR 29 6.145 -1.591 4.254 243 HD2 TYR 29 1HD TYR 29 8.298 -3.707 7.251 244 HE1 TYR 29 2HE TYR 29 8.257 -0.922 3.198 245 HE2 TYR 29 1HE TYR 29 10.421 -3.043 6.201 246 HH TYR 29 HH TYR 29 10.595 -0.656 3.757 247 HB2 TYR 29 2HB TYR 29 5.974 -3.888 7.180 248 HB3 TYR 29 1HB TYR 29 5.117 -3.481 5.694 249 H PHE 30 H PHE 30 3.683 -2.013 5.078 250 HA PHE 30 HA PHE 30 4.637 0.071 3.587 251 HD1 PHE 30 2HD PHE 30 5.114 -0.088 2.047 252 HD2 PHE 30 1HD PHE 30 1.472 -2.128 1.202 253 HE1 PHE 30 2HE PHE 30 5.962 -0.673 -0.176 254 HE2 PHE 30 1HE PHE 30 2.323 -2.715 -1.029 255 HZ PHE 30 HZ PHE 30 4.572 -1.994 -1.718 256 HB2 PHE 30 2HB PHE 30 2.287 -1.619 3.582 257 HB3 PHE 30 1HB PHE 30 1.886 -0.001 3.022 258 H LYS 31 H LYS 31 2.162 0.224 6.111 259 HA LYS 31 HA LYS 31 1.478 2.939 5.626 260 HB2 LYS 31 2HB LYS 31 0.004 1.385 6.853 261 HB3 LYS 31 1HB LYS 31 1.173 1.337 8.169 262 HG2 LYS 31 2HG LYS 31 0.843 3.724 8.554 263 HG3 LYS 31 1HG LYS 31 -0.323 3.775 7.231 264 HD2 LYS 31 2HD LYS 31 -1.835 2.360 8.404 265 HD3 LYS 31 1HD LYS 31 -0.627 1.989 9.638 266 HE2 LYS 31 2HE LYS 31 -0.997 3.910 10.758 267 HE3 LYS 31 1HE LYS 31 -1.228 4.847 9.284 268 HZ1 LYS 31 3HZ LYS 31 -3.294 2.915 10.056 269 HZ2 LYS 31 1HZ LYS 31 -3.445 4.378 9.222 270 HZ3 LYS 31 2HZ LYS 31 -3.209 4.379 10.896 271 H LEU 32 H LEU 32 3.644 1.366 7.960 272 HA LEU 32 HA LEU 32 4.473 3.670 9.303 273 HG LEU 32 HG LEU 32 5.497 1.310 11.514 274 HB2 LEU 32 2HB LEU 32 5.079 0.951 9.364 275 HB3 LEU 32 1HB LEU 32 6.605 1.762 9.075 276 HD11 LEU 32 1HD1 LEU 32 7.377 3.538 10.808 277 HD12 LEU 32 2HD1 LEU 32 7.830 1.845 10.996 278 HD13 LEU 32 3HD1 LEU 32 7.226 2.756 12.382 279 HD21 LEU 32 3HD2 LEU 32 3.762 3.061 10.998 280 HD22 LEU 32 1HD2 LEU 32 5.073 4.239 11.062 281 HD23 LEU 32 2HD2 LEU 32 4.678 3.285 12.489 282 H TYR 33 H TYR 33 5.330 2.425 6.191 283 HA TYR 33 HA TYR 33 7.759 3.926 5.926 284 HD1 TYR 33 2HD TYR 33 5.920 4.255 2.330 285 HD2 TYR 33 1HD TYR 33 9.615 2.547 3.573 286 HE1 TYR 33 2HE TYR 33 7.025 5.217 0.356 287 HE2 TYR 33 1HE TYR 33 10.730 3.506 1.602 288 HH TYR 33 HH TYR 33 9.331 5.885 -0.325 289 HB2 TYR 33 2HB TYR 33 7.623 1.920 4.657 290 HB3 TYR 33 1HB TYR 33 6.048 2.360 3.994 291 H ALA 34 H ALA 34 4.589 4.128 4.311 292 HA ALA 34 HA ALA 34 5.026 6.528 2.979 293 HB1 ALA 34 1HB ALA 34 2.388 6.648 3.281 294 HB2 ALA 34 2HB ALA 34 2.638 4.973 3.777 295 HB3 ALA 34 3HB ALA 34 3.164 5.510 2.181 296 H ASN 35 H ASN 35 4.419 5.971 6.325 297 HA ASN 35 HA ASN 35 3.494 8.668 6.832 298 HB2 ASN 35 2HB ASN 35 3.169 6.255 8.140 299 HB3 ASN 35 1HB ASN 35 4.313 7.112 9.168 300 HD21 ASN 35 1HD2 ASN 35 3.420 9.725 8.700 301 HD22 ASN 35 2HD2 ASN 35 1.859 9.902 9.417 302 H ALA 36 H ALA 36 6.443 6.777 7.314 303 HA ALA 36 HA ALA 36 7.774 9.060 8.545 304 HB1 ALA 36 1HB ALA 36 9.248 7.598 9.423 305 HB2 ALA 36 2HB ALA 36 9.320 6.622 7.956 306 HB3 ALA 36 3HB ALA 36 7.968 6.436 9.073 307 H LYS 37 H LYS 37 7.552 7.521 5.457 308 HA LYS 37 HA LYS 37 10.035 8.636 4.481 309 HB2 LYS 37 2HB LYS 37 8.679 6.439 3.756 310 HB3 LYS 37 1HB LYS 37 8.021 7.568 2.582 311 HG2 LYS 37 2HG LYS 37 9.809 6.698 1.439 312 HG3 LYS 37 1HG LYS 37 10.521 8.149 2.149 313 HD2 LYS 37 2HD LYS 37 11.449 6.817 3.968 314 HD3 LYS 37 1HD LYS 37 10.707 5.363 3.296 315 HE2 LYS 37 2HE LYS 37 12.038 5.745 1.216 316 HE3 LYS 37 1HE LYS 37 12.872 7.055 2.054 317 HZ1 LYS 37 3HZ LYS 37 13.152 4.184 2.362 318 HZ2 LYS 37 1HZ LYS 37 13.171 5.071 3.802 319 HZ3 LYS 37 2HZ LYS 37 14.292 5.412 2.583 320 H THR 38 H THR 38 6.586 9.326 4.220 321 HA THR 38 HA THR 38 7.275 11.955 3.138 322 HB THR 38 HB THR 38 5.450 11.824 1.484 323 HG1 THR 38 1HG THR 38 4.123 10.215 1.496 324 HG21 THR 38 3HG2 THR 38 7.772 11.164 0.840 325 HG22 THR 38 1HG2 THR 38 6.491 10.452 -0.141 326 HG23 THR 38 2HG2 THR 38 7.297 9.486 1.097 327 H VAL 39 H VAL 39 4.115 10.388 3.477 328 HA VAL 39 HA VAL 39 3.463 11.506 5.988 329 HB VAL 39 HB VAL 39 3.536 13.627 4.750 330 HG11 VAL 39 1HG1 VAL 39 2.485 14.035 2.790 331 HG12 VAL 39 2HG1 VAL 39 1.121 12.987 3.177 332 HG13 VAL 39 3HG1 VAL 39 2.636 12.286 2.613 333 HG21 VAL 39 3HG2 VAL 39 1.558 14.512 5.609 334 HG22 VAL 39 1HG2 VAL 39 1.844 13.081 6.603 335 HG23 VAL 39 2HG2 VAL 39 0.651 13.029 5.305 336 H GLU 40 H GLU 40 1.193 11.181 6.560 337 HA GLU 40 HA GLU 40 0.068 8.929 5.065 338 HB2 GLU 40 2HB GLU 40 0.523 9.198 7.725 339 HB3 GLU 40 1HB GLU 40 -1.153 9.723 7.636 340 HG2 GLU 40 2HG GLU 40 -1.028 7.409 6.087 341 HG3 GLU 40 1HG GLU 40 -0.048 7.071 7.512 342 H GLY 41 H GLY 41 -1.338 9.517 3.543 343 HA2 GLY 41 2HA GLY 41 -3.399 11.506 4.273 344 HA3 GLY 41 1HA GLY 41 -2.657 11.468 2.673 345 H VAL 42 H VAL 42 -4.370 10.949 1.400 346 HA VAL 42 HA VAL 42 -6.421 9.148 2.084 347 HB VAL 42 HB VAL 42 -6.682 10.789 0.281 348 HG11 VAL 42 1HG1 VAL 42 -5.074 9.101 -1.564 349 HG12 VAL 42 2HG1 VAL 42 -4.242 10.233 -0.501 350 HG13 VAL 42 3HG1 VAL 42 -5.450 10.825 -1.642 351 HG21 VAL 42 3HG2 VAL 42 -8.064 8.715 0.345 352 HG22 VAL 42 1HG2 VAL 42 -6.935 7.984 -0.800 353 HG23 VAL 42 2HG2 VAL 42 -7.873 9.395 -1.270 354 H TRP 43 H TRP 43 -6.861 7.053 1.119 355 HA TRP 43 HA TRP 43 -4.442 5.561 0.420 356 HD1 TRP 43 HD TRP 43 -4.974 6.784 4.090 357 HE1 TRP 43 1HE TRP 43 -2.662 6.600 5.210 358 HE3 TRP 43 3HE TRP 43 -3.206 2.688 1.615 359 HZ2 TRP 43 2HZ TRP 43 -0.384 4.936 5.057 360 HZ3 TRP 43 3HZ TRP 43 -0.949 1.857 2.158 361 HH2 TRP 43 HH TRP 43 0.431 2.962 3.845 362 HB2 TRP 43 2HB TRP 43 -6.386 5.036 2.635 363 HB3 TRP 43 1HB TRP 43 -5.517 3.696 1.895 364 H THR 44 H THR 44 -4.730 3.798 -0.916 365 HA THR 44 HA THR 44 -7.378 2.960 -1.718 366 HB THR 44 HB THR 44 -5.757 3.675 -4.067 367 HG1 THR 44 1HG THR 44 -5.318 5.539 -3.009 368 HG21 THR 44 3HG2 THR 44 -8.624 3.883 -3.270 369 HG22 THR 44 1HG2 THR 44 -7.895 2.999 -4.610 370 HG23 THR 44 2HG2 THR 44 -8.010 4.758 -4.672 371 H TYR 45 H TYR 45 -7.186 0.827 -1.636 372 HA TYR 45 HA TYR 45 -4.623 -0.427 -2.249 373 HD1 TYR 45 1HD TYR 45 -3.468 -2.122 -0.759 374 HD2 TYR 45 2HD TYR 45 -7.236 -3.890 -1.648 375 HE1 TYR 45 1HE TYR 45 -2.396 -4.331 -0.896 376 HE2 TYR 45 2HE TYR 45 -6.173 -6.102 -1.786 377 HH TYR 45 HH TYR 45 -3.933 -7.046 -2.207 378 HB2 TYR 45 2HB TYR 45 -5.800 -1.043 -0.169 379 HB3 TYR 45 1HB TYR 45 -7.156 -1.636 -1.120 380 H LYS 46 H LYS 46 -4.389 -2.131 -3.717 381 HA LYS 46 HA LYS 46 -6.514 -2.319 -5.748 382 HB2 LYS 46 2HB LYS 46 -3.657 -1.718 -6.001 383 HB3 LYS 46 1HB LYS 46 -4.198 -3.001 -7.074 384 HG2 LYS 46 2HG LYS 46 -4.455 -1.074 -8.334 385 HG3 LYS 46 1HG LYS 46 -6.083 -1.390 -7.727 386 HD2 LYS 46 2HD LYS 46 -5.520 0.199 -5.833 387 HD3 LYS 46 1HD LYS 46 -4.095 0.655 -6.768 388 HE2 LYS 46 2HE LYS 46 -5.678 2.252 -7.374 389 HE3 LYS 46 1HE LYS 46 -5.745 1.083 -8.684 390 HZ1 LYS 46 3HZ LYS 46 -7.731 0.177 -7.839 391 HZ2 LYS 46 1HZ LYS 46 -7.939 1.856 -7.776 392 HZ3 LYS 46 2HZ LYS 46 -7.590 0.991 -6.371 393 H ASP 47 H ASP 47 -7.273 -4.295 -6.144 394 HA ASP 47 HA ASP 47 -5.968 -6.565 -4.853 395 HB2 ASP 47 2HB ASP 47 -8.715 -5.873 -5.613 396 HB3 ASP 47 1HB ASP 47 -8.283 -7.553 -5.944 397 H GLU 48 H GLU 48 -4.948 -5.342 -7.357 398 HA GLU 48 HA GLU 48 -5.473 -7.360 -9.371 399 HB2 GLU 48 2HB GLU 48 -4.798 -4.691 -9.504 400 HB3 GLU 48 1HB GLU 48 -3.281 -5.488 -9.896 401 HG2 GLU 48 2HG GLU 48 -5.873 -6.147 -11.268 402 HG3 GLU 48 1HG GLU 48 -4.771 -4.891 -11.838 403 H THR 49 H THR 49 -2.861 -6.323 -7.262 404 HA THR 49 HA THR 49 -1.695 -8.929 -7.257 405 HB THR 49 HB THR 49 0.296 -6.939 -8.188 406 HG1 THR 49 1HG THR 49 -1.469 -8.167 -10.020 407 HG21 THR 49 3HG2 THR 49 0.342 -9.325 -9.680 408 HG22 THR 49 1HG2 THR 49 0.098 -9.765 -7.995 409 HG23 THR 49 2HG2 THR 49 1.482 -8.778 -8.457 410 H LYS 50 H LYS 50 -2.737 -7.196 -5.302 411 HA LYS 50 HA LYS 50 -2.287 -6.412 -3.213 412 HB2 LYS 50 2HB LYS 50 0.252 -7.951 -3.737 413 HB3 LYS 50 1HB LYS 50 -0.066 -7.149 -2.207 414 HG2 LYS 50 2HG LYS 50 -1.384 -8.795 -1.511 415 HG3 LYS 50 1HG LYS 50 -2.287 -8.814 -3.026 416 HD2 LYS 50 2HD LYS 50 -0.629 -10.224 -4.056 417 HD3 LYS 50 1HD LYS 50 0.414 -10.098 -2.638 418 HE2 LYS 50 2HE LYS 50 -0.545 -12.053 -2.073 419 HE3 LYS 50 1HE LYS 50 -1.849 -11.017 -1.496 420 HZ1 LYS 50 3HZ LYS 50 -3.074 -12.340 -2.817 421 HZ2 LYS 50 1HZ LYS 50 -1.768 -12.786 -3.797 422 HZ3 LYS 50 2HZ LYS 50 -2.545 -11.305 -4.044 423 H THR 51 H THR 51 -2.342 -4.260 -4.170 424 HA THR 51 HA THR 51 0.257 -2.928 -3.890 425 HB THR 51 HB THR 51 -1.732 -2.367 -6.092 426 HG1 THR 51 1HG THR 51 0.799 -3.631 -6.103 427 HG21 THR 51 3HG2 THR 51 0.778 -1.263 -6.672 428 HG22 THR 51 1HG2 THR 51 0.369 -0.756 -5.035 429 HG23 THR 51 2HG2 THR 51 -0.738 -0.418 -6.363 430 H PHE 52 H PHE 52 0.219 -0.889 -3.019 431 HA PHE 52 HA PHE 52 -2.393 0.028 -2.004 432 HD1 PHE 52 2HD PHE 52 -0.506 -2.472 -0.567 433 HD2 PHE 52 1HD PHE 52 -2.403 0.829 1.334 434 HE1 PHE 52 2HE PHE 52 -1.594 -4.013 1.014 435 HE2 PHE 52 1HE PHE 52 -3.491 -0.705 2.920 436 HZ PHE 52 HZ PHE 52 -3.091 -3.130 2.758 437 HB2 PHE 52 2HB PHE 52 0.327 -0.062 -0.757 438 HB3 PHE 52 1HB PHE 52 -0.784 1.223 -0.281 439 H THR 53 H THR 53 -2.723 2.321 -1.861 440 HA THR 53 HA THR 53 -0.844 4.010 -3.329 441 HB THR 53 HB THR 53 -3.775 3.878 -4.044 442 HG1 THR 53 1HG THR 53 -1.503 2.880 -5.412 443 HG21 THR 53 3HG2 THR 53 -3.372 5.902 -4.886 444 HG22 THR 53 1HG2 THR 53 -2.484 5.035 -6.138 445 HG23 THR 53 2HG2 THR 53 -1.623 5.712 -4.756 446 H VAL 54 H VAL 54 -0.416 5.589 -1.940 447 HA VAL 54 HA VAL 54 -2.676 6.921 -0.610 448 HB VAL 54 HB VAL 54 -1.676 5.597 1.117 449 HG11 VAL 54 1HG1 VAL 54 0.420 5.019 0.175 450 HG12 VAL 54 2HG1 VAL 54 0.756 5.877 1.679 451 HG13 VAL 54 3HG1 VAL 54 0.939 6.701 0.130 452 HG21 VAL 54 3HG2 VAL 54 -0.276 7.913 2.055 453 HG22 VAL 54 1HG2 VAL 54 -1.846 7.285 2.556 454 HG23 VAL 54 2HG2 VAL 54 -1.739 8.415 1.210 455 H THR 55 H THR 55 -2.623 9.110 -0.646 456 HA THR 55 HA THR 55 -0.135 10.448 -1.396 457 HB THR 55 HB THR 55 -1.038 10.308 -3.532 458 HG1 THR 55 1HG THR 55 -1.581 12.373 -4.030 459 HG21 THR 55 3HG2 THR 55 -3.763 11.149 -2.685 460 HG22 THR 55 1HG2 THR 55 -3.287 9.460 -2.653 461 HG23 THR 55 2HG2 THR 55 -3.255 10.354 -4.171 462 H GLU 56 H GLU 56 -0.483 12.919 -1.330 463 HA GLU 56 HA GLU 56 -2.393 13.646 0.776 464 HB2 GLU 56 2HB GLU 56 0.129 13.245 1.476 465 HB3 GLU 56 1HB GLU 56 0.329 14.866 0.835 466 HG2 GLU 56 2HG GLU 56 -1.957 14.672 2.600 467 HG3 GLU 56 1HG GLU 56 -0.465 14.177 3.393 Start of MODEL 20 1 HA THR 1 HA THR 1 5.724 -12.411 -0.390 2 HB THR 1 HB THR 1 5.095 -12.341 -3.332 3 HG1 THR 1 1HG THR 1 4.490 -14.382 -1.472 4 H1 THR 1 1HT THR 1 3.212 -11.750 -1.747 5 H2 THR 1 2HT THR 1 3.631 -11.088 -0.218 6 H3 THR 1 3HT THR 1 3.479 -12.788 -0.409 7 HG21 THR 1 3HG2 THR 1 7.260 -12.893 -3.351 8 HG22 THR 1 1HG2 THR 1 6.667 -14.494 -2.912 9 HG23 THR 1 2HG2 THR 1 7.253 -13.398 -1.660 10 H THR 2 H THR 2 4.543 -10.416 -3.107 11 HA THR 2 HA THR 2 6.481 -8.347 -2.302 12 HB THR 2 HB THR 2 5.527 -8.947 -5.108 13 HG1 THR 2 1HG THR 2 6.968 -10.532 -4.092 14 HG21 THR 2 3HG2 THR 2 6.500 -6.592 -4.283 15 HG22 THR 2 1HG2 THR 2 6.784 -7.261 -5.893 16 HG23 THR 2 2HG2 THR 2 8.009 -7.441 -4.634 17 H TYR 3 H TYR 3 5.527 -6.593 -1.543 18 HA TYR 3 HA TYR 3 2.820 -5.930 -2.482 19 HD1 TYR 3 2HD TYR 3 0.779 -4.604 -0.688 20 HD2 TYR 3 1HD TYR 3 3.176 -7.843 0.672 21 HE1 TYR 3 2HE TYR 3 -1.253 -5.822 -0.029 22 HE2 TYR 3 1HE TYR 3 1.154 -9.072 1.336 23 HH TYR 3 HH TYR 3 -1.210 -9.134 0.823 24 HB2 TYR 3 2HB TYR 3 4.183 -5.753 0.126 25 HB3 TYR 3 1HB TYR 3 3.202 -4.348 -0.293 26 H LYS 4 H LYS 4 2.413 -4.028 -3.482 27 HA LYS 4 HA LYS 4 4.711 -2.233 -3.887 28 HB2 LYS 4 2HB LYS 4 3.497 -3.474 -5.838 29 HB3 LYS 4 1HB LYS 4 2.279 -2.220 -5.637 30 HG2 LYS 4 2HG LYS 4 3.783 -0.518 -6.223 31 HG3 LYS 4 1HG LYS 4 5.184 -1.571 -6.026 32 HD2 LYS 4 2HD LYS 4 3.322 -2.649 -7.960 33 HD3 LYS 4 1HD LYS 4 3.812 -1.012 -8.392 34 HE2 LYS 4 2HE LYS 4 5.833 -1.704 -9.019 35 HE3 LYS 4 1HE LYS 4 6.074 -2.566 -7.502 36 HZ1 LYS 4 3HZ LYS 4 4.742 -4.404 -8.446 37 HZ2 LYS 4 1HZ LYS 4 6.177 -4.115 -9.297 38 HZ3 LYS 4 2HZ LYS 4 4.700 -3.585 -9.926 39 H LEU 5 H LEU 5 4.531 -0.054 -3.587 40 HA LEU 5 HA LEU 5 1.948 1.031 -2.721 41 HG LEU 5 HG LEU 5 3.543 3.444 -1.125 42 HB2 LEU 5 2HB LEU 5 3.030 0.502 -0.654 43 HB3 LEU 5 1HB LEU 5 4.544 1.217 -1.201 44 HD11 LEU 5 1HD1 LEU 5 1.188 3.053 0.340 45 HD12 LEU 5 2HD1 LEU 5 1.097 1.941 -1.028 46 HD13 LEU 5 3HD1 LEU 5 1.344 3.664 -1.306 47 HD21 LEU 5 3HD2 LEU 5 3.372 1.730 1.333 48 HD22 LEU 5 1HD2 LEU 5 3.041 3.460 1.388 49 HD23 LEU 5 2HD2 LEU 5 4.624 2.882 0.869 50 H ILE 6 H ILE 6 1.611 3.169 -3.216 51 HA ILE 6 HA ILE 6 3.798 4.595 -4.571 52 HB ILE 6 HB ILE 6 2.491 3.792 -6.381 53 HG12 ILE 6 2HG1 ILE 6 1.396 6.560 -5.894 54 HG13 ILE 6 1HG1 ILE 6 3.076 6.271 -6.338 55 HG21 ILE 6 1HG2 ILE 6 0.094 3.955 -6.529 56 HG22 ILE 6 2HG2 ILE 6 0.024 4.832 -5.001 57 HG23 ILE 6 3HG2 ILE 6 0.528 3.143 -5.025 58 HD11 ILE 6 3HD1 ILE 6 0.603 5.791 -7.954 59 HD12 ILE 6 1HD1 ILE 6 2.143 5.032 -8.359 60 HD13 ILE 6 2HD1 ILE 6 2.006 6.790 -8.341 61 H LEU 7 H LEU 7 4.092 6.601 -3.822 62 HA LEU 7 HA LEU 7 1.866 7.876 -2.387 63 HG LEU 7 HG LEU 7 2.664 6.394 -0.662 64 HB2 LEU 7 2HB LEU 7 4.807 7.962 -1.749 65 HB3 LEU 7 1HB LEU 7 3.616 9.037 -1.022 66 HD11 LEU 7 1HD1 LEU 7 4.692 5.709 0.855 67 HD12 LEU 7 2HD1 LEU 7 5.607 6.675 -0.306 68 HD13 LEU 7 3HD1 LEU 7 4.662 5.292 -0.860 69 HD21 LEU 7 3HD2 LEU 7 3.932 7.631 1.648 70 HD22 LEU 7 1HD2 LEU 7 2.243 7.209 1.372 71 HD23 LEU 7 2HD2 LEU 7 2.883 8.734 0.762 72 H ASN 8 H ASN 8 1.220 9.775 -3.136 73 HA ASN 8 HA ASN 8 2.966 11.168 -5.052 74 HB2 ASN 8 2HB ASN 8 0.344 10.325 -5.352 75 HB3 ASN 8 1HB ASN 8 0.180 12.041 -4.996 76 HD21 ASN 8 1HD2 ASN 8 0.151 10.066 -7.450 77 HD22 ASN 8 2HD2 ASN 8 0.949 11.009 -8.672 78 H LEU 9 H LEU 9 4.130 12.490 -3.709 79 HA LEU 9 HA LEU 9 2.740 14.144 -1.759 80 HG LEU 9 HG LEU 9 5.842 12.644 -0.370 81 HB2 LEU 9 2HB LEU 9 5.620 13.621 -2.399 82 HB3 LEU 9 1HB LEU 9 5.163 14.986 -1.404 83 HD11 LEU 9 1HD1 LEU 9 4.727 14.964 0.548 84 HD12 LEU 9 2HD1 LEU 9 5.276 13.623 1.553 85 HD13 LEU 9 3HD1 LEU 9 3.578 13.747 1.097 86 HD21 LEU 9 3HD2 LEU 9 2.848 12.395 -0.581 87 HD22 LEU 9 1HD2 LEU 9 3.972 11.264 0.173 88 HD23 LEU 9 2HD2 LEU 9 3.985 11.483 -1.576 89 H LYS 10 H LYS 10 3.749 16.492 -1.656 90 HA LYS 10 HA LYS 10 2.974 17.741 -4.146 91 HB2 LYS 10 2HB LYS 10 3.409 18.626 -1.344 92 HB3 LYS 10 1HB LYS 10 3.634 19.832 -2.609 93 HG2 LYS 10 2HG LYS 10 1.406 19.690 -3.304 94 HG3 LYS 10 1HG LYS 10 1.147 18.158 -2.455 95 HD2 LYS 10 2HD LYS 10 1.591 19.459 -0.314 96 HD3 LYS 10 1HD LYS 10 1.426 20.913 -1.289 97 HE2 LYS 10 2HE LYS 10 -0.816 20.563 -1.681 98 HE3 LYS 10 1HE LYS 10 -0.693 18.821 -1.421 99 HZ1 LYS 10 3HZ LYS 10 -1.845 20.103 0.368 100 HZ2 LYS 10 1HZ LYS 10 -0.358 20.801 0.755 101 HZ3 LYS 10 2HZ LYS 10 -0.567 19.136 0.900 102 H GLN 11 H GLN 11 5.882 17.066 -2.375 103 HA GLN 11 HA GLN 11 7.514 18.936 -3.816 104 HB2 GLN 11 2HB GLN 11 8.583 16.573 -2.297 105 HB3 GLN 11 1HB GLN 11 9.319 18.149 -2.537 106 HG2 GLN 11 2HG GLN 11 8.288 19.051 -0.758 107 HG3 GLN 11 1HG GLN 11 6.783 18.183 -1.056 108 HE21 GLN 11 1HE2 GLN 11 6.296 16.552 0.234 109 HE22 GLN 11 2HE2 GLN 11 7.383 15.773 1.331 110 H ALA 12 H ALA 12 6.848 15.474 -3.959 111 HA ALA 12 HA ALA 12 7.411 15.312 -6.721 112 HB1 ALA 12 1HB ALA 12 9.439 13.673 -5.350 113 HB2 ALA 12 2HB ALA 12 9.732 15.412 -5.363 114 HB3 ALA 12 3HB ALA 12 9.527 14.546 -6.882 115 H LYS 13 H LYS 13 7.453 12.982 -7.475 116 HA LYS 13 HA LYS 13 5.507 11.492 -5.893 117 HB2 LYS 13 2HB LYS 13 6.467 10.805 -8.665 118 HB3 LYS 13 1HB LYS 13 4.968 10.301 -7.876 119 HG2 LYS 13 2HG LYS 13 4.099 12.546 -8.006 120 HG3 LYS 13 1HG LYS 13 5.629 13.131 -8.664 121 HD2 LYS 13 2HD LYS 13 4.644 12.823 -10.660 122 HD3 LYS 13 1HD LYS 13 5.026 11.120 -10.397 123 HE2 LYS 13 2HE LYS 13 2.868 10.593 -9.794 124 HE3 LYS 13 1HE LYS 13 2.486 12.238 -9.300 125 HZ1 LYS 13 3HZ LYS 13 2.442 12.896 -11.609 126 HZ2 LYS 13 1HZ LYS 13 1.371 11.608 -11.364 127 HZ3 LYS 13 2HZ LYS 13 2.873 11.340 -12.105 128 H GLU 14 H GLU 14 6.103 9.843 -4.662 129 HA GLU 14 HA GLU 14 8.566 8.384 -5.349 130 HB2 GLU 14 2HB GLU 14 8.861 9.835 -3.357 131 HB3 GLU 14 1HB GLU 14 7.543 8.983 -2.571 132 HG2 GLU 14 2HG GLU 14 9.553 8.082 -1.719 133 HG3 GLU 14 1HG GLU 14 8.881 6.878 -2.819 134 H GLU 15 H GLU 15 8.230 6.325 -5.805 135 HA GLU 15 HA GLU 15 6.258 4.802 -4.300 136 HB2 GLU 15 2HB GLU 15 5.212 3.893 -6.328 137 HB3 GLU 15 1HB GLU 15 4.972 5.628 -6.198 138 HG2 GLU 15 2HG GLU 15 5.663 5.732 -8.305 139 HG3 GLU 15 1HG GLU 15 7.282 5.441 -7.669 140 H ALA 16 H ALA 16 6.921 2.773 -3.911 141 HA ALA 16 HA ALA 16 8.948 1.561 -5.635 142 HB1 ALA 16 1HB ALA 16 10.505 1.160 -3.950 143 HB2 ALA 16 2HB ALA 16 9.343 1.499 -2.665 144 HB3 ALA 16 3HB ALA 16 9.987 2.817 -3.643 145 H ILE 17 H ILE 17 9.490 -0.723 -4.399 146 HA ILE 17 HA ILE 17 6.887 -1.936 -3.748 147 HB ILE 17 HB ILE 17 7.469 -2.488 -6.066 148 HG12 ILE 17 2HG1 ILE 17 7.961 -5.139 -5.138 149 HG13 ILE 17 1HG1 ILE 17 6.915 -4.343 -3.969 150 HG21 ILE 17 1HG2 ILE 17 10.087 -2.799 -4.962 151 HG22 ILE 17 2HG2 ILE 17 9.587 -2.774 -6.652 152 HG23 ILE 17 3HG2 ILE 17 9.605 -4.295 -5.762 153 HD11 ILE 17 3HD1 ILE 17 5.476 -5.375 -5.491 154 HD12 ILE 17 1HD1 ILE 17 6.420 -4.836 -6.879 155 HD13 ILE 17 2HD1 ILE 17 5.477 -3.671 -5.949 156 H LYS 18 H LYS 18 6.875 -3.441 -2.144 157 HA LYS 18 HA LYS 18 9.459 -4.079 -0.884 158 HB2 LYS 18 2HB LYS 18 6.904 -3.890 0.678 159 HB3 LYS 18 1HB LYS 18 8.560 -3.796 1.259 160 HG2 LYS 18 2HG LYS 18 7.478 -1.688 -0.563 161 HG3 LYS 18 1HG LYS 18 7.117 -1.660 1.164 162 HD2 LYS 18 2HD LYS 18 9.022 -0.476 1.291 163 HD3 LYS 18 1HD LYS 18 9.790 -2.064 1.216 164 HE2 LYS 18 2HE LYS 18 10.567 -1.730 -0.877 165 HE3 LYS 18 1HE LYS 18 9.123 -0.855 -1.383 166 HZ1 LYS 18 3HZ LYS 18 9.940 1.132 -0.572 167 HZ2 LYS 18 1HZ LYS 18 11.339 0.404 -1.188 168 HZ3 LYS 18 2HZ LYS 18 11.041 0.390 0.477 169 H GLU 19 H GLU 19 9.159 -6.012 0.694 170 HA GLU 19 HA GLU 19 7.505 -8.057 -0.639 171 HB2 GLU 19 2HB GLU 19 10.283 -8.326 0.515 172 HB3 GLU 19 1HB GLU 19 9.292 -9.693 0.030 173 HG2 GLU 19 2HG GLU 19 9.268 -8.901 -2.260 174 HG3 GLU 19 1HG GLU 19 10.190 -7.472 -1.793 175 H LEU 20 H LEU 20 6.106 -9.100 0.617 176 HA LEU 20 HA LEU 20 6.632 -9.380 3.477 177 HG LEU 20 HG LEU 20 4.596 -6.476 4.337 178 HB2 LEU 20 2HB LEU 20 4.288 -7.917 2.294 179 HB3 LEU 20 1HB LEU 20 4.141 -8.736 3.839 180 HD11 LEU 20 1HD1 LEU 20 5.928 -8.203 5.578 181 HD12 LEU 20 2HD1 LEU 20 6.605 -6.573 5.589 182 HD13 LEU 20 3HD1 LEU 20 7.287 -7.803 4.525 183 HD21 LEU 20 3HD2 LEU 20 5.655 -5.102 2.958 184 HD22 LEU 20 1HD2 LEU 20 5.927 -6.465 1.873 185 HD23 LEU 20 2HD2 LEU 20 7.140 -6.044 3.082 186 H VAL 21 H VAL 21 4.473 -10.576 4.404 187 HA VAL 21 HA VAL 21 4.226 -12.955 2.701 188 HB VAL 21 HB VAL 21 3.612 -12.732 5.646 189 HG11 VAL 21 1HG1 VAL 21 3.084 -14.921 5.626 190 HG12 VAL 21 2HG1 VAL 21 4.311 -15.314 4.423 191 HG13 VAL 21 3HG1 VAL 21 2.765 -14.629 3.916 192 HG21 VAL 21 3HG2 VAL 21 6.102 -12.500 4.568 193 HG22 VAL 21 1HG2 VAL 21 5.984 -14.243 4.819 194 HG23 VAL 21 2HG2 VAL 21 5.755 -13.140 6.175 195 H ASP 22 H ASP 22 2.352 -10.553 4.454 196 HA ASP 22 HA ASP 22 -0.011 -11.351 2.940 197 HB2 ASP 22 2HB ASP 22 -1.447 -11.317 4.938 198 HB3 ASP 22 1HB ASP 22 -0.215 -12.574 5.057 199 H ALA 23 H ALA 23 -1.890 -9.699 3.823 200 HA ALA 23 HA ALA 23 -0.820 -7.098 3.132 201 HB1 ALA 23 1HB ALA 23 -2.910 -6.516 2.493 202 HB2 ALA 23 2HB ALA 23 -3.683 -7.387 3.819 203 HB3 ALA 23 3HB ALA 23 -3.100 -8.268 2.406 204 H ALA 24 H ALA 24 -2.544 -8.567 5.875 205 HA ALA 24 HA ALA 24 -2.927 -6.388 7.493 206 HB1 ALA 24 1HB ALA 24 -1.815 -8.745 8.880 207 HB2 ALA 24 2HB ALA 24 -3.212 -9.045 7.845 208 HB3 ALA 24 3HB ALA 24 -3.322 -7.870 9.155 209 H THR 25 H THR 25 0.007 -8.382 7.286 210 HA THR 25 HA THR 25 1.532 -6.707 9.003 211 HB THR 25 HB THR 25 2.127 -8.999 7.170 212 HG1 THR 25 1HG THR 25 2.853 -8.510 9.863 213 HG21 THR 25 3HG2 THR 25 3.980 -7.459 6.716 214 HG22 THR 25 1HG2 THR 25 4.499 -8.892 7.603 215 HG23 THR 25 2HG2 THR 25 4.301 -7.357 8.449 216 H ALA 26 H ALA 26 1.112 -6.970 5.500 217 HA ALA 26 HA ALA 26 3.095 -5.230 4.651 218 HB1 ALA 26 1HB ALA 26 0.305 -5.556 3.524 219 HB2 ALA 26 2HB ALA 26 1.720 -6.514 3.092 220 HB3 ALA 26 3HB ALA 26 1.664 -4.798 2.690 221 H GLU 27 H GLU 27 -0.255 -4.512 5.521 222 HA GLU 27 HA GLU 27 -0.273 -1.769 5.282 223 HB2 GLU 27 2HB GLU 27 -1.698 -3.694 7.091 224 HB3 GLU 27 1HB GLU 27 -1.939 -1.960 7.285 225 HG2 GLU 27 2HG GLU 27 -2.231 -2.498 4.543 226 HG3 GLU 27 1HG GLU 27 -3.122 -3.757 5.399 227 H LYS 28 H LYS 28 1.022 -3.793 7.841 228 HA LYS 28 HA LYS 28 1.475 -1.685 9.702 229 HB2 LYS 28 2HB LYS 28 1.430 -4.276 10.062 230 HB3 LYS 28 1HB LYS 28 3.135 -4.182 9.638 231 HG2 LYS 28 2HG LYS 28 3.698 -3.107 11.563 232 HG3 LYS 28 1HG LYS 28 2.125 -2.322 11.716 233 HD2 LYS 28 2HD LYS 28 2.214 -5.278 11.963 234 HD3 LYS 28 1HD LYS 28 2.880 -4.329 13.295 235 HE2 LYS 28 2HE LYS 28 0.609 -2.996 12.981 236 HE3 LYS 28 1HE LYS 28 0.082 -4.541 12.313 237 HZ1 LYS 28 3HZ LYS 28 1.497 -4.570 14.874 238 HZ2 LYS 28 1HZ LYS 28 0.254 -5.572 14.316 239 HZ3 LYS 28 2HZ LYS 28 -0.100 -4.014 14.866 240 H TYR 29 H TYR 29 3.574 -3.419 7.436 241 HA TYR 29 HA TYR 29 5.864 -1.802 7.935 242 HD1 TYR 29 2HD TYR 29 6.199 -1.768 4.153 243 HD2 TYR 29 1HD TYR 29 8.425 -3.924 7.066 244 HE1 TYR 29 2HE TYR 29 8.280 -1.132 3.022 245 HE2 TYR 29 1HE TYR 29 10.520 -3.295 5.939 246 HH TYR 29 HH TYR 29 10.997 -2.549 3.231 247 HB2 TYR 29 2HB TYR 29 6.097 -4.073 7.078 248 HB3 TYR 29 1HB TYR 29 5.191 -3.639 5.630 249 H PHE 30 H PHE 30 3.765 -2.073 5.076 250 HA PHE 30 HA PHE 30 4.794 0.021 3.627 251 HD1 PHE 30 1HD PHE 30 5.202 0.075 2.051 252 HD2 PHE 30 2HD PHE 30 1.658 -2.123 1.179 253 HE1 PHE 30 1HE PHE 30 6.057 -0.406 -0.195 254 HE2 PHE 30 2HE PHE 30 2.515 -2.602 -1.073 255 HZ PHE 30 HZ PHE 30 4.718 -1.748 -1.764 256 HB2 PHE 30 2HB PHE 30 2.432 -1.635 3.551 257 HB3 PHE 30 1HB PHE 30 2.028 0.010 3.076 258 H LYS 31 H LYS 31 2.224 0.164 6.077 259 HA LYS 31 HA LYS 31 1.618 2.891 5.696 260 HB2 LYS 31 2HB LYS 31 0.144 1.371 6.947 261 HB3 LYS 31 1HB LYS 31 1.363 1.238 8.213 262 HG2 LYS 31 2HG LYS 31 0.966 3.353 9.012 263 HG3 LYS 31 1HG LYS 31 0.331 3.931 7.469 264 HD2 LYS 31 2HD LYS 31 -1.761 3.069 7.850 265 HD3 LYS 31 1HD LYS 31 -1.154 1.783 8.898 266 HE2 LYS 31 2HE LYS 31 -0.508 3.828 10.438 267 HE3 LYS 31 1HE LYS 31 -1.807 4.614 9.537 268 HZ1 LYS 31 3HZ LYS 31 -3.150 2.544 10.148 269 HZ2 LYS 31 1HZ LYS 31 -2.866 3.687 11.363 270 HZ3 LYS 31 2HZ LYS 31 -1.959 2.261 11.314 271 H LEU 32 H LEU 32 3.986 1.230 7.703 272 HA LEU 32 HA LEU 32 4.856 3.496 9.146 273 HG LEU 32 HG LEU 32 5.911 1.029 11.219 274 HB2 LEU 32 2HB LEU 32 5.451 0.763 9.068 275 HB3 LEU 32 1HB LEU 32 6.963 1.597 8.775 276 HD11 LEU 32 1HD1 LEU 32 7.792 3.273 10.562 277 HD12 LEU 32 2HD1 LEU 32 8.234 1.570 10.680 278 HD13 LEU 32 3HD1 LEU 32 7.668 2.432 12.109 279 HD21 LEU 32 3HD2 LEU 32 5.129 2.964 12.306 280 HD22 LEU 32 1HD2 LEU 32 4.178 2.815 10.827 281 HD23 LEU 32 2HD2 LEU 32 5.498 3.981 10.913 282 H TYR 33 H TYR 33 5.497 2.355 5.950 283 HA TYR 33 HA TYR 33 7.917 3.887 5.610 284 HD1 TYR 33 2HD TYR 33 5.955 4.191 2.106 285 HD2 TYR 33 1HD TYR 33 9.719 2.511 3.160 286 HE1 TYR 33 2HE TYR 33 6.953 5.177 0.091 287 HE2 TYR 33 1HE TYR 33 10.729 3.496 1.143 288 HH TYR 33 HH TYR 33 9.101 5.826 -0.776 289 HB2 TYR 33 2HB TYR 33 7.799 1.873 4.346 290 HB3 TYR 33 1HB TYR 33 6.188 2.258 3.740 291 H ALA 34 H ALA 34 4.663 3.996 4.160 292 HA ALA 34 HA ALA 34 4.989 6.415 2.805 293 HB1 ALA 34 1HB ALA 34 2.691 4.748 3.632 294 HB2 ALA 34 2HB ALA 34 3.139 5.358 2.040 295 HB3 ALA 34 3HB ALA 34 2.349 6.423 3.202 296 H ASN 35 H ASN 35 4.207 5.757 6.141 297 HA ASN 35 HA ASN 35 3.382 8.474 6.685 298 HB2 ASN 35 2HB ASN 35 2.377 6.565 7.894 299 HB3 ASN 35 1HB ASN 35 3.949 6.202 8.603 300 HD21 ASN 35 1HD2 ASN 35 1.742 8.955 8.208 301 HD22 ASN 35 2HD2 ASN 35 1.947 9.566 9.811 302 H ALA 36 H ALA 36 6.301 6.594 6.847 303 HA ALA 36 HA ALA 36 7.653 8.599 8.473 304 HB1 ALA 36 1HB ALA 36 9.567 7.054 8.401 305 HB2 ALA 36 2HB ALA 36 8.651 5.991 7.335 306 HB3 ALA 36 3HB ALA 36 8.096 6.272 8.983 307 H LYS 37 H LYS 37 8.169 7.037 5.305 308 HA LYS 37 HA LYS 37 10.249 8.683 4.451 309 HB2 LYS 37 2HB LYS 37 8.385 6.795 3.198 310 HB3 LYS 37 1HB LYS 37 8.978 8.040 2.108 311 HG2 LYS 37 2HG LYS 37 10.478 6.274 1.867 312 HG3 LYS 37 1HG LYS 37 11.308 7.412 2.931 313 HD2 LYS 37 2HD LYS 37 10.793 6.098 4.857 314 HD3 LYS 37 1HD LYS 37 9.711 5.056 3.927 315 HE2 LYS 37 2HE LYS 37 11.774 4.486 2.522 316 HE3 LYS 37 1HE LYS 37 12.711 5.220 3.822 317 HZ1 LYS 37 3HZ LYS 37 10.745 3.287 4.694 318 HZ2 LYS 37 1HZ LYS 37 12.361 3.477 5.161 319 HZ3 LYS 37 2HZ LYS 37 11.984 2.640 3.742 320 H THR 38 H THR 38 6.768 8.976 3.685 321 HA THR 38 HA THR 38 7.268 11.822 3.106 322 HB THR 38 HB THR 38 5.347 11.663 1.498 323 HG1 THR 38 1HG THR 38 4.815 9.544 0.801 324 HG21 THR 38 3HG2 THR 38 6.554 10.523 -0.293 325 HG22 THR 38 1HG2 THR 38 7.692 9.884 0.890 326 HG23 THR 38 2HG2 THR 38 7.595 11.623 0.613 327 H VAL 39 H VAL 39 4.119 10.249 3.150 328 HA VAL 39 HA VAL 39 3.385 10.826 5.792 329 HB VAL 39 HB VAL 39 3.697 13.173 5.102 330 HG11 VAL 39 1HG1 VAL 39 2.920 12.570 2.679 331 HG12 VAL 39 2HG1 VAL 39 2.619 14.178 3.337 332 HG13 VAL 39 3HG1 VAL 39 1.323 12.982 3.305 333 HG21 VAL 39 3HG2 VAL 39 1.982 12.494 6.788 334 HG22 VAL 39 1HG2 VAL 39 0.775 12.548 5.501 335 HG23 VAL 39 2HG2 VAL 39 1.630 14.016 5.968 336 H GLU 40 H GLU 40 1.041 10.604 6.151 337 HA GLU 40 HA GLU 40 -0.120 8.835 4.132 338 HB2 GLU 40 2HB GLU 40 -0.541 9.225 7.069 339 HB3 GLU 40 1HB GLU 40 -1.807 8.480 6.105 340 HG2 GLU 40 2HG GLU 40 -0.117 6.818 5.320 341 HG3 GLU 40 1HG GLU 40 1.008 7.503 6.491 342 H GLY 41 H GLY 41 -1.855 9.345 2.961 343 HA2 GLY 41 2HA GLY 41 -3.510 11.624 3.790 344 HA3 GLY 41 1HA GLY 41 -2.841 11.581 2.160 345 H VAL 42 H VAL 42 -4.210 10.874 0.662 346 HA VAL 42 HA VAL 42 -6.592 9.414 1.452 347 HB VAL 42 HB VAL 42 -7.220 9.575 -0.944 348 HG11 VAL 42 1HG1 VAL 42 -6.427 12.340 -0.237 349 HG12 VAL 42 2HG1 VAL 42 -7.400 11.455 0.937 350 HG13 VAL 42 3HG1 VAL 42 -8.000 11.697 -0.704 351 HG21 VAL 42 3HG2 VAL 42 -5.607 9.827 -2.454 352 HG22 VAL 42 1HG2 VAL 42 -4.434 10.263 -1.213 353 HG23 VAL 42 2HG2 VAL 42 -5.463 11.505 -1.925 354 H TRP 43 H TRP 43 -6.266 7.396 1.899 355 HA TRP 43 HA TRP 43 -4.380 5.739 0.513 356 HD1 TRP 43 HD TRP 43 -4.451 7.307 3.763 357 HE1 TRP 43 1HE TRP 43 -2.194 6.908 4.931 358 HE3 TRP 43 3HE TRP 43 -3.593 2.496 2.256 359 HZ2 TRP 43 2HZ TRP 43 -0.301 4.835 5.182 360 HZ3 TRP 43 3HZ TRP 43 -1.533 1.377 3.009 361 HH2 TRP 43 HH TRP 43 0.077 2.525 4.439 362 HB2 TRP 43 2HB TRP 43 -6.266 5.437 2.805 363 HB3 TRP 43 1HB TRP 43 -5.544 3.995 2.083 364 H THR 44 H THR 44 -4.799 3.991 -0.782 365 HA THR 44 HA THR 44 -7.487 3.189 -1.440 366 HB THR 44 HB THR 44 -6.947 3.565 -3.955 367 HG1 THR 44 1HG THR 44 -5.401 4.926 -4.424 368 HG21 THR 44 3HG2 THR 44 -7.413 6.205 -2.742 369 HG22 THR 44 1HG2 THR 44 -8.541 4.925 -2.301 370 HG23 THR 44 2HG2 THR 44 -8.310 5.352 -3.996 371 H TYR 45 H TYR 45 -7.225 1.057 -1.238 372 HA TYR 45 HA TYR 45 -4.723 -0.194 -2.022 373 HD1 TYR 45 2HD TYR 45 -3.491 -1.938 -0.810 374 HD2 TYR 45 1HD TYR 45 -7.380 -3.640 -1.081 375 HE1 TYR 45 2HE TYR 45 -2.491 -4.176 -1.020 376 HE2 TYR 45 1HE TYR 45 -6.391 -5.882 -1.289 377 HH TYR 45 HH TYR 45 -3.728 -6.807 -0.409 378 HB2 TYR 45 2HB TYR 45 -5.751 -0.814 0.113 379 HB3 TYR 45 1HB TYR 45 -7.190 -1.372 -0.731 380 H LYS 46 H LYS 46 -4.612 -2.036 -3.393 381 HA LYS 46 HA LYS 46 -6.811 -2.237 -5.340 382 HB2 LYS 46 2HB LYS 46 -4.208 -1.260 -5.813 383 HB3 LYS 46 1HB LYS 46 -4.266 -2.860 -6.539 384 HG2 LYS 46 2HG LYS 46 -6.499 -0.965 -7.065 385 HG3 LYS 46 1HG LYS 46 -4.958 -0.733 -7.892 386 HD2 LYS 46 2HD LYS 46 -5.145 -2.698 -9.075 387 HD3 LYS 46 1HD LYS 46 -6.172 -3.453 -7.848 388 HE2 LYS 46 2HE LYS 46 -7.703 -3.066 -9.522 389 HE3 LYS 46 1HE LYS 46 -7.868 -1.589 -8.573 390 HZ1 LYS 46 3HZ LYS 46 -5.947 -0.870 -10.256 391 HZ2 LYS 46 1HZ LYS 46 -7.592 -0.640 -10.581 392 HZ3 LYS 46 2HZ LYS 46 -6.775 -1.967 -11.233 393 H ASP 47 H ASP 47 -7.635 -4.213 -5.381 394 HA ASP 47 HA ASP 47 -6.100 -6.443 -4.301 395 HB2 ASP 47 2HB ASP 47 -8.773 -5.717 -4.127 396 HB3 ASP 47 1HB ASP 47 -8.783 -7.071 -5.256 397 H GLU 48 H GLU 48 -5.042 -5.603 -6.682 398 HA GLU 48 HA GLU 48 -5.997 -7.562 -8.661 399 HB2 GLU 48 2HB GLU 48 -5.334 -4.883 -8.948 400 HB3 GLU 48 1HB GLU 48 -3.918 -5.722 -9.563 401 HG2 GLU 48 2HG GLU 48 -6.699 -6.399 -10.465 402 HG3 GLU 48 1HG GLU 48 -5.736 -5.136 -11.233 403 H THR 49 H THR 49 -3.281 -6.610 -6.704 404 HA THR 49 HA THR 49 -2.057 -9.147 -6.872 405 HB THR 49 HB THR 49 0.131 -7.952 -7.893 406 HG1 THR 49 1HG THR 49 -0.356 -6.235 -8.964 407 HG21 THR 49 3HG2 THR 49 -1.382 -9.996 -8.695 408 HG22 THR 49 1HG2 THR 49 -0.066 -9.324 -9.659 409 HG23 THR 49 2HG2 THR 49 -1.732 -8.846 -9.983 410 H LYS 50 H LYS 50 -2.882 -7.418 -4.829 411 HA LYS 50 HA LYS 50 -2.207 -6.603 -2.813 412 HB2 LYS 50 2HB LYS 50 0.255 -8.132 -3.630 413 HB3 LYS 50 1HB LYS 50 0.164 -7.275 -2.100 414 HG2 LYS 50 2HG LYS 50 -0.848 -9.013 -1.187 415 HG3 LYS 50 1HG LYS 50 -2.180 -8.844 -2.336 416 HD2 LYS 50 2HD LYS 50 0.235 -10.120 -3.419 417 HD3 LYS 50 1HD LYS 50 -0.569 -11.028 -2.139 418 HE2 LYS 50 2HE LYS 50 -2.373 -11.482 -3.416 419 HE3 LYS 50 1HE LYS 50 -2.345 -9.901 -4.194 420 HZ1 LYS 50 3HZ LYS 50 -0.152 -11.653 -4.899 421 HZ2 LYS 50 1HZ LYS 50 -1.107 -10.662 -5.883 422 HZ3 LYS 50 2HZ LYS 50 -1.676 -12.181 -5.412 423 H THR 51 H THR 51 -2.422 -4.511 -4.026 424 HA THR 51 HA THR 51 0.151 -3.092 -3.930 425 HB THR 51 HB THR 51 -2.004 -2.662 -6.007 426 HG1 THR 51 1HG THR 51 0.557 -3.864 -6.190 427 HG21 THR 51 3HG2 THR 51 -1.004 -0.790 -6.617 428 HG22 THR 51 1HG2 THR 51 0.568 -1.587 -6.671 429 HG23 THR 51 2HG2 THR 51 -0.018 -0.896 -5.158 430 H PHE 52 H PHE 52 0.123 -1.014 -3.167 431 HA PHE 52 HA PHE 52 -2.433 -0.076 -2.035 432 HD1 PHE 52 1HD PHE 52 -0.378 -2.526 -0.710 433 HD2 PHE 52 2HD PHE 52 -2.268 0.697 1.327 434 HE1 PHE 52 1HE PHE 52 -1.298 -4.109 0.934 435 HE2 PHE 52 2HE PHE 52 -3.190 -0.880 2.976 436 HZ PHE 52 HZ PHE 52 -2.706 -3.287 2.779 437 HB2 PHE 52 2HB PHE 52 0.355 -0.067 -0.921 438 HB3 PHE 52 1HB PHE 52 -0.804 1.156 -0.400 439 H THR 53 H THR 53 -2.823 2.181 -2.055 440 HA THR 53 HA THR 53 -0.974 3.839 -3.594 441 HB THR 53 HB THR 53 -3.904 3.566 -4.282 442 HG1 THR 53 1HG THR 53 -2.597 1.817 -5.009 443 HG21 THR 53 3HG2 THR 53 -2.934 5.835 -4.652 444 HG22 THR 53 1HG2 THR 53 -3.531 5.031 -6.102 445 HG23 THR 53 2HG2 THR 53 -1.798 5.093 -5.779 446 H VAL 54 H VAL 54 -0.585 5.549 -2.351 447 HA VAL 54 HA VAL 54 -2.858 6.903 -1.077 448 HB VAL 54 HB VAL 54 -1.812 5.502 0.654 449 HG11 VAL 54 1HG1 VAL 54 0.455 5.935 1.415 450 HG12 VAL 54 2HG1 VAL 54 0.668 7.142 0.145 451 HG13 VAL 54 3HG1 VAL 54 0.456 5.441 -0.279 452 HG21 VAL 54 3HG2 VAL 54 -1.745 8.474 0.811 453 HG22 VAL 54 1HG2 VAL 54 -1.109 7.540 2.165 454 HG23 VAL 54 2HG2 VAL 54 -2.781 7.322 1.650 455 H THR 55 H THR 55 -2.715 9.122 -1.065 456 HA THR 55 HA THR 55 -0.174 10.345 -1.825 457 HB THR 55 HB THR 55 -1.084 10.226 -3.964 458 HG1 THR 55 1HG THR 55 -2.146 12.682 -3.044 459 HG21 THR 55 3HG2 THR 55 -3.423 9.604 -2.961 460 HG22 THR 55 1HG2 THR 55 -3.266 10.262 -4.589 461 HG23 THR 55 2HG2 THR 55 -3.748 11.311 -3.257 462 H GLU 56 H GLU 56 -0.308 12.786 -1.685 463 HA GLU 56 HA GLU 56 -2.334 14.104 -0.288 464 HB2 GLU 56 2HB GLU 56 -1.176 12.406 1.441 465 HB3 GLU 56 1HB GLU 56 -0.068 13.762 1.607 466 HG2 GLU 56 2HG GLU 56 -2.294 15.128 1.870 467 HG3 GLU 56 1HG GLU 56 -2.939 13.561 2.346
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