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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
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3239 |
1dcj ![]() ![]() |
4819 | cing | recoord | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 HT1 MET 1 -17.269 10.923 -5.234 2 2H MET 1 HT2 MET 1 -17.654 9.662 -6.306 3 3H MET 1 HT3 MET 1 -16.576 10.886 -6.782 4 HA MET 1 HA MET 1 -15.546 8.691 -6.133 5 1HB MET 1 HB2 MET 1 -14.707 11.337 -5.833 6 2HB MET 1 HB1 MET 1 -14.328 10.590 -4.281 7 1HG MET 1 HG2 MET 1 -12.465 9.805 -5.300 8 2HG MET 1 HG1 MET 1 -13.541 8.655 -6.093 9 1HE MET 1 HE1 MET 1 -10.668 10.194 -6.869 10 2HE MET 1 HE2 MET 1 -11.328 11.737 -6.333 11 3HE MET 1 HE3 MET 1 -10.853 11.528 -8.017 12 H THR 2 HN THR 2 -16.084 7.071 -4.752 13 HA THR 2 HA THR 2 -17.265 7.693 -2.128 14 HB THR 2 HB THR 2 -16.658 4.898 -2.475 15 HG1 THR 2 HG1 THR 2 -18.202 5.983 -4.569 16 1HG2 THR 2 HG21 THR 2 -18.534 6.058 -1.192 17 2HG2 THR 2 HG22 THR 2 -19.013 4.662 -2.159 18 3HG2 THR 2 HG23 THR 2 -19.325 6.294 -2.751 19 H ASP 3 HN ASP 3 -16.341 6.830 -0.127 20 HA ASP 3 HA ASP 3 -13.424 7.126 -0.079 21 1HB ASP 3 HB2 ASP 3 -15.617 7.222 1.846 22 2HB ASP 3 HB1 ASP 3 -14.240 6.304 2.457 23 H LEU 4 HN LEU 4 -12.256 5.373 -0.728 24 HA LEU 4 HA LEU 4 -13.260 2.654 -0.080 25 1HB LEU 4 HB2 LEU 4 -10.900 3.518 -1.780 26 2HB LEU 4 HB1 LEU 4 -11.517 1.872 -1.627 27 HG LEU 4 HG LEU 4 -13.346 4.099 -2.493 28 1HD1 LEU 4 HD11 LEU 4 -11.028 3.115 -3.930 29 2HD1 LEU 4 HD12 LEU 4 -12.159 4.388 -4.387 30 3HD1 LEU 4 HD13 LEU 4 -12.512 2.709 -4.794 31 1HD2 LEU 4 HD21 LEU 4 -13.294 1.192 -3.320 32 2HD2 LEU 4 HD22 LEU 4 -14.647 2.322 -3.385 33 3HD2 LEU 4 HD23 LEU 4 -14.077 1.717 -1.830 34 H PHE 5 HN PHE 5 -11.263 4.971 1.282 35 HA PHE 5 HA PHE 5 -9.260 3.089 2.329 36 1HB PHE 5 HB2 PHE 5 -9.702 6.041 2.442 37 2HB PHE 5 HB1 PHE 5 -8.759 5.299 3.736 38 HD1 PHE 5 HD1 PHE 5 -6.777 6.598 2.886 39 HD2 PHE 5 HD2 PHE 5 -8.741 3.617 0.512 40 HE1 PHE 5 HE1 PHE 5 -4.821 6.462 1.378 41 HE2 PHE 5 HE2 PHE 5 -6.756 3.507 -0.965 42 HZ PHE 5 HZ PHE 5 -4.800 4.979 -0.563 43 H SER 6 HN SER 6 -12.313 3.134 2.979 44 HA SER 6 HA SER 6 -12.853 3.817 5.618 45 1HB SER 6 HB2 SER 6 -13.651 1.244 4.222 46 2HB SER 6 HB1 SER 6 -14.413 1.891 5.672 47 HG SER 6 HG SER 6 -15.198 2.400 3.339 48 H SER 7 HN SER 7 -13.043 2.066 7.485 49 HA SER 7 HA SER 7 -10.522 1.468 8.471 50 1HB SER 7 HB2 SER 7 -13.186 0.801 9.155 51 2HB SER 7 HB1 SER 7 -12.215 -0.659 9.266 52 HG SER 7 HG SER 7 -11.602 0.169 11.099 53 HA PRO 8 HA PRO 8 -9.505 -1.648 5.365 54 1HB PRO 8 HB2 PRO 8 -6.795 -1.440 5.750 55 2HB PRO 8 HB1 PRO 8 -7.724 -0.352 4.708 56 1HG PRO 8 HG2 PRO 8 -6.603 0.159 7.428 57 2HG PRO 8 HG1 PRO 8 -6.916 1.301 6.110 58 1HD PRO 8 HD2 PRO 8 -8.545 0.938 8.381 59 2HD PRO 8 HD1 PRO 8 -9.024 1.769 6.887 60 H ASP 9 HN ASP 9 -8.209 -3.729 5.579 61 HA ASP 9 HA ASP 9 -8.682 -4.890 8.234 62 1HB ASP 9 HB2 ASP 9 -7.558 -6.091 5.682 63 2HB ASP 9 HB1 ASP 9 -7.935 -7.003 7.145 64 H HIS 10 HN HIS 10 -6.013 -3.616 6.414 65 HA HIS 10 HA HIS 10 -4.221 -4.206 8.710 66 1HB HIS 10 HB2 HIS 10 -3.851 -5.058 5.851 67 2HB HIS 10 HB1 HIS 10 -2.447 -4.706 6.852 68 HD1 HIS 10 HD1 HIS 10 -1.622 -6.644 8.197 69 HD2 HIS 10 HD2 HIS 10 -5.668 -7.022 7.271 70 HE1 HIS 10 HE1 HIS 10 -2.360 -8.883 9.122 71 H THR 11 HN THR 11 -2.034 -2.946 8.270 72 HA THR 11 HA THR 11 -2.484 -0.507 6.649 73 HB THR 11 HB THR 11 -1.678 -0.426 9.556 74 HG1 THR 11 HG1 THR 11 -3.843 -0.900 9.435 75 1HG2 THR 11 HG21 THR 11 -2.416 2.087 8.946 76 2HG2 THR 11 HG22 THR 11 -1.872 1.565 7.352 77 3HG2 THR 11 HG23 THR 11 -0.764 1.513 8.723 78 H LEU 12 HN LEU 12 -0.440 0.724 6.392 79 HA LEU 12 HA LEU 12 2.035 -0.727 7.144 80 1HB LEU 12 HB2 LEU 12 1.688 -1.677 4.981 81 2HB LEU 12 HB1 LEU 12 1.175 -0.130 4.315 82 HG LEU 12 HG LEU 12 3.404 0.755 4.307 83 1HD1 LEU 12 HD11 LEU 12 3.890 -1.414 6.354 84 2HD1 LEU 12 HD12 LEU 12 4.229 0.313 6.465 85 3HD1 LEU 12 HD13 LEU 12 5.240 -0.717 5.459 86 1HD2 LEU 12 HD21 LEU 12 3.315 -2.179 3.615 87 2HD2 LEU 12 HD22 LEU 12 4.814 -1.266 3.452 88 3HD2 LEU 12 HD23 LEU 12 3.390 -0.786 2.538 89 H ASP 13 HN ASP 13 3.022 0.930 8.240 90 HA ASP 13 HA ASP 13 2.748 3.709 7.372 91 1HB ASP 13 HB2 ASP 13 3.204 2.906 9.779 92 2HB ASP 13 HB1 ASP 13 4.860 2.606 9.249 93 H ALA 14 HN ALA 14 4.194 4.796 5.977 94 HA ALA 14 HA ALA 14 6.729 3.400 5.351 95 1HB ALA 14 HB1 ALA 14 5.450 4.401 2.929 96 2HB ALA 14 HB2 ALA 14 4.576 3.068 3.687 97 3HB ALA 14 HB3 ALA 14 6.266 2.868 3.230 98 H LEU 15 HN LEU 15 5.533 5.805 6.623 99 HA LEU 15 HA LEU 15 6.644 8.099 5.245 100 1HB LEU 15 HB2 LEU 15 5.896 7.962 8.153 101 2HB LEU 15 HB1 LEU 15 5.835 9.312 7.040 102 HG LEU 15 HG LEU 15 4.098 6.881 6.711 103 1HD1 LEU 15 HD11 LEU 15 2.891 9.423 7.610 104 2HD1 LEU 15 HD12 LEU 15 3.878 8.600 8.818 105 3HD1 LEU 15 HD13 LEU 15 2.510 7.766 8.081 106 1HD2 LEU 15 HD21 LEU 15 3.794 7.876 4.706 107 2HD2 LEU 15 HD22 LEU 15 4.634 9.337 5.226 108 3HD2 LEU 15 HD23 LEU 15 2.921 9.128 5.588 109 H GLY 16 HN GLY 16 8.788 8.014 5.097 110 1HA GLY 16 HA2 GLY 16 10.978 8.372 6.108 111 2HA GLY 16 HA1 GLY 16 10.381 7.577 7.573 112 H LEU 17 HN LEU 17 9.068 5.765 5.256 113 HA LEU 17 HA LEU 17 11.193 3.726 5.355 114 1HB LEU 17 HB2 LEU 17 8.339 3.674 4.321 115 2HB LEU 17 HB1 LEU 17 9.442 2.305 4.243 116 HG LEU 17 HG LEU 17 8.047 3.492 6.590 117 1HD1 LEU 17 HD11 LEU 17 7.438 1.341 5.414 118 2HD1 LEU 17 HD12 LEU 17 7.791 1.138 7.131 119 3HD1 LEU 17 HD13 LEU 17 8.995 0.690 5.923 120 1HD2 LEU 17 HD21 LEU 17 9.771 2.241 8.020 121 2HD2 LEU 17 HD22 LEU 17 10.247 3.815 7.381 122 3HD2 LEU 17 HD23 LEU 17 10.827 2.338 6.610 123 H ARG 18 HN ARG 18 12.080 2.917 3.405 124 HA ARG 18 HA ARG 18 11.179 4.315 0.961 125 1HB ARG 18 HB2 ARG 18 13.640 4.734 0.379 126 2HB ARG 18 HB1 ARG 18 12.868 5.776 1.575 127 1HG ARG 18 HG2 ARG 18 13.787 3.952 3.271 128 2HG ARG 18 HG1 ARG 18 14.945 3.658 1.974 129 1HD ARG 18 HD2 ARG 18 14.421 6.489 2.793 130 2HD ARG 18 HD1 ARG 18 15.430 5.488 3.838 131 HE ARG 18 HE ARG 18 16.157 6.476 1.183 132 1HH1 ARG 18 HH11 ARG 18 17.336 5.303 4.049 133 2HH1 ARG 18 HH12 ARG 18 18.625 4.371 3.365 134 1HH2 ARG 18 HH21 ARG 18 17.527 4.755 0.099 135 2HH2 ARG 18 HH22 ARG 18 18.733 4.060 1.130 136 H CYS 19 HN CYS 19 11.690 3.187 -0.933 137 HA CYS 19 HA CYS 19 11.550 0.405 -0.834 138 1HB CYS 19 HB2 CYS 19 11.191 1.449 -2.926 139 2HB CYS 19 HB1 CYS 19 12.779 2.209 -2.919 140 HG CYS 19 HG CYS 19 12.261 -0.413 -4.148 141 HA PRO 20 HA PRO 20 11.998 -1.362 -1.513 142 1HB PRO 20 HB2 PRO 20 12.847 -3.775 -0.559 143 2HB PRO 20 HB1 PRO 20 13.424 -3.095 -2.092 144 1HG PRO 20 HG2 PRO 20 14.853 -3.331 0.508 145 2HG PRO 20 HG1 PRO 20 15.519 -3.220 -1.127 146 1HD PRO 20 HD2 PRO 20 15.331 -1.118 0.797 147 2HD PRO 20 HD1 PRO 20 15.837 -0.970 -0.901 148 H GLU 21 HN GLU 21 12.996 -0.444 1.514 149 HA GLU 21 HA GLU 21 11.900 -2.203 3.355 150 1HB GLU 21 HB2 GLU 21 12.279 0.727 3.407 151 2HB GLU 21 HB1 GLU 21 11.491 -0.060 4.765 152 1HG GLU 21 HG2 GLU 21 13.526 -1.710 4.636 153 2HG GLU 21 HG1 GLU 21 14.302 -0.397 3.750 154 HA PRO 22 HA PRO 22 7.660 -0.062 3.281 155 1HB PRO 22 HB2 PRO 22 7.088 1.308 0.962 156 2HB PRO 22 HB1 PRO 22 7.728 2.067 2.417 157 1HG PRO 22 HG2 PRO 22 9.128 1.404 -0.126 158 2HG PRO 22 HG1 PRO 22 9.470 2.696 1.038 159 1HD PRO 22 HD2 PRO 22 10.903 0.310 0.830 160 2HD PRO 22 HD1 PRO 22 10.916 1.368 2.248 161 H VAL 23 HN VAL 23 8.504 -0.478 -0.131 162 HA VAL 23 HA VAL 23 6.392 -2.134 -0.937 163 HB VAL 23 HB VAL 23 9.315 -2.470 -1.666 164 1HG1 VAL 23 HG11 VAL 23 6.743 -3.522 -2.723 165 2HG1 VAL 23 HG12 VAL 23 8.355 -4.237 -2.766 166 3HG1 VAL 23 HG13 VAL 23 7.915 -2.984 -3.926 167 1HG2 VAL 23 HG21 VAL 23 8.003 -1.008 -3.665 168 2HG2 VAL 23 HG22 VAL 23 9.162 -0.374 -2.497 169 3HG2 VAL 23 HG23 VAL 23 7.433 -0.299 -2.154 170 H MET 24 HN MET 24 9.124 -2.791 1.160 171 HA MET 24 HA MET 24 8.899 -5.693 1.040 172 1HB MET 24 HB2 MET 24 10.361 -3.717 2.760 173 2HB MET 24 HB1 MET 24 10.237 -5.394 3.291 174 1HG MET 24 HG2 MET 24 10.957 -5.132 0.459 175 2HG MET 24 HG1 MET 24 12.147 -4.416 1.548 176 1HE MET 24 HE1 MET 24 13.681 -5.890 0.497 177 2HE MET 24 HE2 MET 24 12.815 -7.199 -0.303 178 3HE MET 24 HE3 MET 24 14.001 -7.571 0.945 179 H MET 25 HN MET 25 7.741 -3.179 3.280 180 HA MET 25 HA MET 25 6.618 -4.950 5.206 181 1HB MET 25 HB2 MET 25 6.133 -2.097 4.415 182 2HB MET 25 HB1 MET 25 5.000 -2.880 5.518 183 1HG MET 25 HG2 MET 25 7.817 -3.369 6.192 184 2HG MET 25 HG1 MET 25 7.362 -1.667 6.270 185 1HE MET 25 HE1 MET 25 7.336 -3.741 9.798 186 2HE MET 25 HE2 MET 25 8.125 -2.350 9.058 187 3HE MET 25 HE3 MET 25 8.289 -3.942 8.321 188 H VAL 26 HN VAL 26 5.224 -3.492 2.262 189 HA VAL 26 HA VAL 26 2.608 -4.634 2.601 190 HB VAL 26 HB VAL 26 4.141 -3.875 0.101 191 1HG1 VAL 26 HG11 VAL 26 1.215 -3.917 -0.073 192 2HG1 VAL 26 HG12 VAL 26 1.889 -5.516 0.224 193 3HG1 VAL 26 HG13 VAL 26 2.409 -4.590 -1.181 194 1HG2 VAL 26 HG21 VAL 26 2.087 -2.122 0.335 195 2HG2 VAL 26 HG22 VAL 26 3.681 -1.836 1.033 196 3HG2 VAL 26 HG23 VAL 26 2.380 -2.479 2.037 197 H ARG 27 HN ARG 27 5.656 -5.899 1.464 198 HA ARG 27 HA ARG 27 4.626 -8.215 0.108 199 1HB ARG 27 HB2 ARG 27 7.276 -7.528 1.348 200 2HB ARG 27 HB1 ARG 27 6.952 -9.181 0.810 201 1HG ARG 27 HG2 ARG 27 6.272 -6.968 -1.068 202 2HG ARG 27 HG1 ARG 27 7.979 -7.333 -0.835 203 1HD ARG 27 HD2 ARG 27 6.295 -9.720 -1.164 204 2HD ARG 27 HD1 ARG 27 6.323 -8.668 -2.579 205 HE ARG 27 HE ARG 27 8.439 -9.619 -2.963 206 1HH1 ARG 27 HH11 ARG 27 8.029 -11.153 -0.244 207 2HH1 ARG 27 HH12 ARG 27 9.536 -10.775 0.522 208 1HH2 ARG 27 HH21 ARG 27 10.335 -8.240 -1.706 209 2HH2 ARG 27 HH22 ARG 27 10.841 -9.124 -0.306 210 H LYS 28 HN LYS 28 6.111 -7.955 3.311 211 HA LYS 28 HA LYS 28 5.423 -10.567 4.208 212 1HB LYS 28 HB2 LYS 28 5.813 -8.036 5.839 213 2HB LYS 28 HB1 LYS 28 5.808 -9.674 6.492 214 1HG LYS 28 HG2 LYS 28 7.661 -10.084 4.653 215 2HG LYS 28 HG1 LYS 28 7.855 -8.334 4.757 216 1HD LYS 28 HD2 LYS 28 7.944 -8.707 7.324 217 2HD LYS 28 HD1 LYS 28 8.247 -10.397 6.921 218 1HE LYS 28 HE2 LYS 28 10.010 -9.189 5.248 219 2HE LYS 28 HE1 LYS 28 9.998 -8.029 6.576 220 1HZ LYS 28 HZ1 LYS 28 11.401 -9.407 7.581 221 2HZ LYS 28 HZ2 LYS 28 11.113 -10.660 6.470 222 3HZ LYS 28 HZ3 LYS 28 10.088 -10.456 7.810 223 H THR 29 HN THR 29 3.698 -7.524 4.334 224 HA THR 29 HA THR 29 1.468 -8.422 5.934 225 HB THR 29 HB THR 29 2.191 -6.133 4.189 226 HG1 THR 29 HG1 THR 29 2.501 -5.505 6.153 227 1HG2 THR 29 HG21 THR 29 -0.041 -5.152 4.243 228 2HG2 THR 29 HG22 THR 29 -0.671 -6.586 5.054 229 3HG2 THR 29 HG23 THR 29 -0.082 -6.697 3.395 230 H VAL 30 HN VAL 30 2.342 -8.363 2.584 231 HA VAL 30 HA VAL 30 -0.201 -9.159 1.474 232 HB VAL 30 HB VAL 30 2.663 -9.008 0.581 233 1HG1 VAL 30 HG11 VAL 30 2.073 -9.970 -1.602 234 2HG1 VAL 30 HG12 VAL 30 0.470 -10.374 -0.986 235 3HG1 VAL 30 HG13 VAL 30 1.899 -11.154 -0.307 236 1HG2 VAL 30 HG21 VAL 30 0.184 -8.022 -0.835 237 2HG2 VAL 30 HG22 VAL 30 1.836 -7.426 -0.984 238 3HG2 VAL 30 HG23 VAL 30 0.912 -7.108 0.485 239 H ARG 31 HN ARG 31 2.572 -10.725 2.842 240 HA ARG 31 HA ARG 31 1.863 -13.428 2.029 241 1HB ARG 31 HB2 ARG 31 3.760 -12.384 4.155 242 2HB ARG 31 HB1 ARG 31 3.654 -14.070 3.643 243 1HG ARG 31 HG2 ARG 31 4.167 -13.292 1.286 244 2HG ARG 31 HG1 ARG 31 4.495 -11.699 1.952 245 1HD ARG 31 HD2 ARG 31 6.622 -12.512 2.096 246 2HD ARG 31 HD1 ARG 31 6.016 -13.186 3.609 247 HE ARG 31 HE ARG 31 6.137 -15.333 2.633 248 1HH1 ARG 31 HH11 ARG 31 5.813 -12.915 0.212 249 2HH1 ARG 31 HH12 ARG 31 6.335 -13.943 -1.081 250 1HH2 ARG 31 HH21 ARG 31 7.002 -16.647 0.984 251 2HH2 ARG 31 HH22 ARG 31 7.008 -16.055 -0.643 252 H ASN 32 HN ASN 32 1.255 -11.267 4.736 253 HA ASN 32 HA ASN 32 -0.130 -13.494 6.165 254 1HB ASN 32 HB2 ASN 32 -0.168 -12.055 8.110 255 2HB ASN 32 HB1 ASN 32 1.466 -12.044 7.451 256 1HD2 ASN 32 HD21 ASN 32 1.831 -9.906 8.447 257 2HD2 ASN 32 HD22 ASN 32 1.154 -8.508 7.763 258 H MET 33 HN MET 33 -0.841 -11.271 3.856 259 HA MET 33 HA MET 33 -3.474 -10.479 4.919 260 1HB MET 33 HB2 MET 33 -1.829 -9.770 2.534 261 2HB MET 33 HB1 MET 33 -3.579 -9.651 2.364 262 1HG MET 33 HG2 MET 33 -3.337 -8.426 4.728 263 2HG MET 33 HG1 MET 33 -1.733 -8.074 4.103 264 1HE MET 33 HE1 MET 33 -5.565 -7.378 1.753 265 2HE MET 33 HE2 MET 33 -5.717 -7.232 3.501 266 3HE MET 33 HE3 MET 33 -5.117 -8.731 2.799 267 H GLN 34 HN GLN 34 -5.325 -10.792 3.215 268 HA GLN 34 HA GLN 34 -5.154 -13.511 2.004 269 1HB GLN 34 HB2 GLN 34 -7.195 -12.465 3.966 270 2HB GLN 34 HB1 GLN 34 -7.612 -13.743 2.824 271 1HG GLN 34 HG2 GLN 34 -5.230 -14.670 3.780 272 2HG GLN 34 HG1 GLN 34 -5.862 -13.842 5.204 273 1HE2 GLN 34 HE21 GLN 34 -7.760 -14.719 6.228 274 2HE2 GLN 34 HE22 GLN 34 -8.439 -16.205 5.767 275 HA PRO 35 HA PRO 35 -7.037 -11.520 -1.393 276 1HB PRO 35 HB2 PRO 35 -8.429 -13.642 -2.480 277 2HB PRO 35 HB1 PRO 35 -6.682 -13.406 -2.649 278 1HG PRO 35 HG2 PRO 35 -8.162 -15.312 -0.879 279 2HG PRO 35 HG1 PRO 35 -6.554 -15.477 -1.607 280 1HD PRO 35 HD2 PRO 35 -7.035 -14.789 1.069 281 2HD PRO 35 HD1 PRO 35 -5.513 -14.495 0.199 282 H GLY 36 HN GLY 36 -8.673 -10.148 -1.197 283 1HA GLY 36 HA2 GLY 36 -11.088 -9.699 -1.258 284 2HA GLY 36 HA1 GLY 36 -11.312 -11.107 -0.208 285 H GLU 37 HN GLU 37 -8.542 -9.176 0.449 286 HA GLU 37 HA GLU 37 -9.965 -7.962 2.790 287 1HB GLU 37 HB2 GLU 37 -7.315 -9.324 2.519 288 2HB GLU 37 HB1 GLU 37 -7.461 -8.008 3.677 289 1HG GLU 37 HG2 GLU 37 -9.438 -10.290 3.590 290 2HG GLU 37 HG1 GLU 37 -7.969 -10.361 4.564 291 H THR 38 HN THR 38 -8.223 -6.119 3.665 292 HA THR 38 HA THR 38 -7.328 -4.558 1.298 293 HB THR 38 HB THR 38 -8.370 -2.530 2.659 294 HG1 THR 38 HG1 THR 38 -9.848 -3.103 4.036 295 1HG2 THR 38 HG21 THR 38 -9.661 -4.459 0.748 296 2HG2 THR 38 HG22 THR 38 -9.058 -2.831 0.440 297 3HG2 THR 38 HG23 THR 38 -10.560 -3.060 1.337 298 H LEU 39 HN LEU 39 -5.795 -2.886 1.811 299 HA LEU 39 HA LEU 39 -4.636 -2.918 4.556 300 1HB LEU 39 HB2 LEU 39 -3.351 -4.616 3.447 301 2HB LEU 39 HB1 LEU 39 -3.192 -3.639 1.991 302 HG LEU 39 HG LEU 39 -2.077 -1.931 3.730 303 1HD1 LEU 39 HD11 LEU 39 -2.126 -3.021 5.760 304 2HD1 LEU 39 HD12 LEU 39 -0.578 -3.603 5.150 305 3HD1 LEU 39 HD13 LEU 39 -2.014 -4.619 5.025 306 1HD2 LEU 39 HD21 LEU 39 0.130 -2.994 3.124 307 2HD2 LEU 39 HD22 LEU 39 -0.945 -2.739 1.749 308 3HD2 LEU 39 HD23 LEU 39 -0.774 -4.349 2.449 309 H LEU 40 HN LEU 40 -4.527 -0.751 5.065 310 HA LEU 40 HA LEU 40 -4.326 1.256 2.916 311 1HB LEU 40 HB2 LEU 40 -5.839 1.847 4.687 312 2HB LEU 40 HB1 LEU 40 -4.649 1.444 5.925 313 HG LEU 40 HG LEU 40 -3.193 3.280 5.079 314 1HD1 LEU 40 HD11 LEU 40 -3.621 3.925 2.949 315 2HD1 LEU 40 HD12 LEU 40 -4.916 4.899 3.644 316 3HD1 LEU 40 HD13 LEU 40 -5.267 3.294 3.001 317 1HD2 LEU 40 HD21 LEU 40 -4.667 3.758 6.950 318 2HD2 LEU 40 HD22 LEU 40 -6.030 4.018 5.861 319 3HD2 LEU 40 HD23 LEU 40 -4.679 5.151 5.869 320 H ILE 41 HN ILE 41 -2.451 2.509 2.581 321 HA ILE 41 HA ILE 41 -0.111 1.856 4.319 322 HB ILE 41 HB ILE 41 0.088 2.037 1.315 323 1HG1 ILE 41 HG12 ILE 41 -0.761 -0.286 3.047 324 2HG1 ILE 41 HG11 ILE 41 -1.413 0.245 1.506 325 1HG2 ILE 41 HG21 ILE 41 1.930 1.822 3.445 326 2HG2 ILE 41 HG22 ILE 41 2.270 1.666 1.722 327 3HG2 ILE 41 HG23 ILE 41 1.894 0.237 2.679 328 1HD1 ILE 41 HD11 ILE 41 -0.154 -1.342 0.534 329 2HD1 ILE 41 HD12 ILE 41 0.745 -1.628 2.022 330 3HD1 ILE 41 HD13 ILE 41 1.246 -0.344 0.924 331 H ILE 42 HN ILE 42 1.035 3.703 4.887 332 HA ILE 42 HA ILE 42 0.480 6.142 3.276 333 HB ILE 42 HB ILE 42 1.821 6.094 5.973 334 1HG1 ILE 42 HG12 ILE 42 -1.095 5.842 5.282 335 2HG1 ILE 42 HG11 ILE 42 -0.177 5.015 6.543 336 1HG2 ILE 42 HG21 ILE 42 1.825 8.140 4.473 337 2HG2 ILE 42 HG22 ILE 42 1.088 8.395 6.050 338 3HG2 ILE 42 HG23 ILE 42 0.072 8.175 4.627 339 1HD1 ILE 42 HD11 ILE 42 -1.288 6.584 7.818 340 2HD1 ILE 42 HD12 ILE 42 -1.303 7.777 6.519 341 3HD1 ILE 42 HD13 ILE 42 0.180 7.479 7.426 342 H ALA 43 HN ALA 43 2.402 7.495 2.913 343 HA ALA 43 HA ALA 43 5.018 6.302 3.329 344 1HB ALA 43 HB1 ALA 43 5.505 5.523 1.217 345 2HB ALA 43 HB2 ALA 43 4.403 6.654 0.432 346 3HB ALA 43 HB3 ALA 43 3.770 5.207 1.218 347 H ASP 44 HN ASP 44 6.379 7.995 3.519 348 HA ASP 44 HA ASP 44 5.525 10.539 2.237 349 1HB ASP 44 HB2 ASP 44 6.925 11.723 3.802 350 2HB ASP 44 HB1 ASP 44 5.922 10.619 4.732 351 H ASP 45 HN ASP 45 7.817 7.967 2.390 352 HA ASP 45 HA ASP 45 9.986 9.203 1.001 353 1HB ASP 45 HB2 ASP 45 10.455 7.131 1.894 354 2HB ASP 45 HB1 ASP 45 8.927 6.464 1.360 355 HA PRO 46 HA PRO 46 8.002 9.857 -2.892 356 1HB PRO 46 HB2 PRO 46 10.272 10.296 -4.377 357 2HB PRO 46 HB1 PRO 46 9.579 11.494 -3.269 358 1HG PRO 46 HG2 PRO 46 12.013 9.808 -2.932 359 2HG PRO 46 HG1 PRO 46 11.621 11.372 -2.199 360 1HD PRO 46 HD2 PRO 46 11.432 8.845 -0.932 361 2HD PRO 46 HD1 PRO 46 10.762 10.367 -0.327 362 H ALA 47 HN ALA 47 10.328 7.382 -2.345 363 HA ALA 47 HA ALA 47 9.930 6.147 -5.003 364 1HB ALA 47 HB1 ALA 47 11.451 5.042 -2.627 365 2HB ALA 47 HB2 ALA 47 12.161 6.130 -3.819 366 3HB ALA 47 HB3 ALA 47 11.590 4.536 -4.311 367 H THR 48 HN THR 48 8.194 6.201 -2.167 368 HA THR 48 HA THR 48 7.422 3.355 -2.215 369 HB THR 48 HB THR 48 5.726 4.227 -0.455 370 HG1 THR 48 HG1 THR 48 7.375 6.338 0.052 371 1HG2 THR 48 HG21 THR 48 8.400 3.427 -0.329 372 2HG2 THR 48 HG22 THR 48 7.257 3.477 1.013 373 3HG2 THR 48 HG23 THR 48 8.315 4.851 0.704 374 H THR 49 HN THR 49 6.031 6.509 -3.067 375 HA THR 49 HA THR 49 3.407 5.626 -3.712 376 HB THR 49 HB THR 49 3.108 7.677 -4.741 377 HG1 THR 49 HG1 THR 49 4.914 8.629 -5.946 378 1HG2 THR 49 HG21 THR 49 5.764 8.550 -3.741 379 2HG2 THR 49 HG22 THR 49 4.683 7.800 -2.566 380 3HG2 THR 49 HG23 THR 49 4.168 9.238 -3.448 381 H ARG 50 HN ARG 50 6.449 5.406 -5.434 382 HA ARG 50 HA ARG 50 5.058 4.302 -7.816 383 1HB ARG 50 HB2 ARG 50 7.890 5.149 -7.251 384 2HB ARG 50 HB1 ARG 50 7.468 4.255 -8.711 385 1HG ARG 50 HG2 ARG 50 5.531 6.265 -8.548 386 2HG ARG 50 HG1 ARG 50 7.035 7.066 -8.090 387 1HD ARG 50 HD2 ARG 50 7.283 7.260 -10.358 388 2HD ARG 50 HD1 ARG 50 7.918 5.623 -10.200 389 HE ARG 50 HE ARG 50 5.205 6.329 -11.190 390 1HH1 ARG 50 HH21 ARG 50 5.275 3.757 -9.605 391 2HH1 ARG 50 HH22 ARG 50 5.583 2.589 -10.846 392 1HH2 ARG 50 HH11 ARG 50 6.626 4.940 -13.170 393 2HH2 ARG 50 HH12 ARG 50 6.347 3.259 -12.864 394 H ASP 51 HN ASP 51 7.363 3.240 -5.340 395 HA ASP 51 HA ASP 51 7.601 0.609 -6.618 396 1HB ASP 51 HB2 ASP 51 8.729 1.723 -4.038 397 2HB ASP 51 HB1 ASP 51 9.104 0.120 -4.678 398 H ILE 52 HN ILE 52 6.227 1.800 -3.535 399 HA ILE 52 HA ILE 52 5.532 -0.723 -2.506 400 HB ILE 52 HB ILE 52 4.535 2.046 -2.097 401 1HG1 ILE 52 HG12 ILE 52 5.617 -0.210 -0.413 402 2HG1 ILE 52 HG11 ILE 52 6.371 1.344 -0.767 403 1HG2 ILE 52 HG21 ILE 52 2.419 0.765 -2.226 404 2HG2 ILE 52 HG22 ILE 52 2.747 1.283 -0.573 405 3HG2 ILE 52 HG23 ILE 52 3.050 -0.387 -1.049 406 1HD1 ILE 52 HD11 ILE 52 5.453 2.167 1.113 407 2HD1 ILE 52 HD12 ILE 52 4.576 0.661 1.383 408 3HD1 ILE 52 HD13 ILE 52 3.861 1.934 0.393 409 HA PRO 53 HA PRO 53 1.392 -0.556 -4.773 410 1HB PRO 53 HB2 PRO 53 1.185 1.260 -6.821 411 2HB PRO 53 HB1 PRO 53 0.612 1.539 -5.166 412 1HG PRO 53 HG2 PRO 53 3.021 2.630 -6.546 413 2HG PRO 53 HG1 PRO 53 2.093 3.322 -5.204 414 1HD PRO 53 HD2 PRO 53 4.567 2.001 -4.968 415 2HD PRO 53 HD1 PRO 53 3.449 2.342 -3.629 416 H GLY 54 HN GLY 54 3.984 0.582 -6.973 417 1HA GLY 54 HA2 GLY 54 3.374 -1.090 -9.145 418 2HA GLY 54 HA1 GLY 54 5.031 -0.627 -8.717 419 H PHE 55 HN PHE 55 4.608 -1.869 -5.980 420 HA PHE 55 HA PHE 55 5.481 -4.553 -6.746 421 1HB PHE 55 HB2 PHE 55 6.601 -3.952 -4.826 422 2HB PHE 55 HB1 PHE 55 5.264 -2.976 -4.224 423 HD1 PHE 55 HD1 PHE 55 5.291 -6.559 -5.330 424 HD2 PHE 55 HD2 PHE 55 4.805 -3.798 -2.085 425 HE1 PHE 55 HE1 PHE 55 4.529 -8.408 -3.874 426 HE2 PHE 55 HE2 PHE 55 4.048 -5.648 -0.641 427 HZ PHE 55 HZ PHE 55 3.898 -7.954 -1.531 428 H CYS 56 HN CYS 56 2.662 -3.255 -4.897 429 HA CYS 56 HA CYS 56 1.358 -5.732 -4.552 430 1HB CYS 56 HB2 CYS 56 0.354 -2.918 -4.877 431 2HB CYS 56 HB1 CYS 56 -0.775 -4.261 -4.683 432 HG CYS 56 HG CYS 56 0.832 -4.798 -2.453 433 H THR 57 HN THR 57 1.373 -3.597 -7.378 434 HA THR 57 HA THR 57 -0.663 -5.039 -8.812 435 HB THR 57 HB THR 57 1.653 -3.485 -9.988 436 HG1 THR 57 HG1 THR 57 0.713 -1.793 -9.216 437 1HG2 THR 57 HG21 THR 57 0.675 -4.157 -11.906 438 2HG2 THR 57 HG22 THR 57 -0.672 -3.103 -11.473 439 3HG2 THR 57 HG23 THR 57 -0.717 -4.814 -11.046 440 H PHE 58 HN PHE 58 2.813 -5.478 -8.492 441 HA PHE 58 HA PHE 58 3.039 -7.400 -10.642 442 1HB PHE 58 HB2 PHE 58 4.880 -5.961 -9.470 443 2HB PHE 58 HB1 PHE 58 4.941 -7.297 -8.320 444 HD1 PHE 58 HD1 PHE 58 6.165 -6.086 -11.418 445 HD2 PHE 58 HD2 PHE 58 5.060 -9.707 -9.389 446 HE1 PHE 58 HE1 PHE 58 7.543 -7.398 -13.009 447 HE2 PHE 58 HE2 PHE 58 6.438 -11.019 -10.980 448 HZ PHE 58 HZ PHE 58 7.679 -9.864 -12.790 449 H MET 59 HN MET 59 2.248 -7.692 -7.205 450 HA MET 59 HA MET 59 2.590 -10.617 -7.369 451 1HB MET 59 HB2 MET 59 2.250 -8.678 -5.193 452 2HB MET 59 HB1 MET 59 1.624 -10.296 -4.906 453 1HG MET 59 HG2 MET 59 3.953 -11.026 -5.919 454 2HG MET 59 HG1 MET 59 4.444 -9.414 -5.404 455 1HE MET 59 HE1 MET 59 2.045 -12.304 -3.182 456 2HE MET 59 HE2 MET 59 3.556 -13.180 -3.413 457 3HE MET 59 HE3 MET 59 2.730 -12.482 -4.803 458 H GLU 60 HN GLU 60 0.230 -8.742 -8.473 459 HA GLU 60 HA GLU 60 -1.926 -9.415 -9.195 460 1HB GLU 60 HB2 GLU 60 -0.875 -11.811 -8.309 461 2HB GLU 60 HB1 GLU 60 -2.320 -11.625 -7.314 462 1HG GLU 60 HG2 GLU 60 -3.731 -11.422 -9.236 463 2HG GLU 60 HG1 GLU 60 -2.346 -11.242 -10.315 464 H HIS 61 HN HIS 61 -1.228 -7.746 -6.791 465 HA HIS 61 HA HIS 61 -3.624 -8.130 -5.100 466 1HB HIS 61 HB2 HIS 61 -1.382 -6.105 -4.824 467 2HB HIS 61 HB1 HIS 61 -2.578 -6.543 -3.610 468 HD1 HIS 61 HD1 HIS 61 -2.060 -9.659 -4.913 469 HD2 HIS 61 HD2 HIS 61 0.452 -7.185 -2.690 470 HE1 HIS 61 HE1 HIS 61 -0.296 -11.157 -3.902 471 H GLU 62 HN GLU 62 -4.713 -5.845 -4.550 472 HA GLU 62 HA GLU 62 -4.904 -4.373 -7.150 473 1HB GLU 62 HB2 GLU 62 -6.992 -5.405 -5.310 474 2HB GLU 62 HB1 GLU 62 -7.307 -3.883 -6.122 475 1HG GLU 62 HG2 GLU 62 -6.323 -5.408 -8.179 476 2HG GLU 62 HG1 GLU 62 -7.190 -6.615 -7.230 477 H LEU 63 HN LEU 63 -4.857 -2.209 -7.056 478 HA LEU 63 HA LEU 63 -4.234 -0.911 -4.475 479 1HB LEU 63 HB2 LEU 63 -2.898 0.045 -6.152 480 2HB LEU 63 HB1 LEU 63 -4.150 -0.118 -7.379 481 HG LEU 63 HG LEU 63 -5.450 1.676 -6.077 482 1HD1 LEU 63 HD11 LEU 63 -3.385 1.285 -4.236 483 2HD1 LEU 63 HD12 LEU 63 -4.554 2.605 -4.224 484 3HD1 LEU 63 HD13 LEU 63 -2.991 2.820 -5.011 485 1HD2 LEU 63 HD21 LEU 63 -4.626 3.149 -7.586 486 2HD2 LEU 63 HD22 LEU 63 -3.569 1.831 -8.093 487 3HD2 LEU 63 HD23 LEU 63 -2.991 3.029 -6.934 488 H VAL 64 HN VAL 64 -6.180 -0.819 -3.285 489 HA VAL 64 HA VAL 64 -8.682 -0.509 -4.604 490 HB VAL 64 HB VAL 64 -7.798 -0.327 -1.725 491 1HG1 VAL 64 HG11 VAL 64 -9.820 0.908 -1.844 492 2HG1 VAL 64 HG12 VAL 64 -10.290 -0.723 -1.358 493 3HG1 VAL 64 HG13 VAL 64 -10.504 -0.202 -3.029 494 1HG2 VAL 64 HG21 VAL 64 -9.591 -2.461 -2.621 495 2HG2 VAL 64 HG22 VAL 64 -8.088 -2.568 -1.707 496 3HG2 VAL 64 HG23 VAL 64 -8.044 -2.467 -3.468 497 H ALA 65 HN ALA 65 -6.701 1.866 -2.689 498 HA ALA 65 HA ALA 65 -8.007 3.961 -4.354 499 1HB ALA 65 HB1 ALA 65 -9.498 4.481 -2.748 500 2HB ALA 65 HB2 ALA 65 -8.133 5.104 -1.822 501 3HB ALA 65 HB3 ALA 65 -8.691 3.451 -1.565 502 H LYS 66 HN LYS 66 -6.464 5.535 -4.887 503 HA LYS 66 HA LYS 66 -3.943 5.424 -3.366 504 1HB LYS 66 HB2 LYS 66 -4.341 7.106 -5.785 505 2HB LYS 66 HB1 LYS 66 -2.896 6.250 -5.249 506 1HG LYS 66 HG2 LYS 66 -3.549 4.827 -6.866 507 2HG LYS 66 HG1 LYS 66 -4.530 4.166 -5.588 508 1HD LYS 66 HD2 LYS 66 -6.292 4.503 -6.966 509 2HD LYS 66 HD1 LYS 66 -6.097 6.215 -6.591 510 1HE LYS 66 HE2 LYS 66 -5.595 6.609 -8.746 511 2HE LYS 66 HE1 LYS 66 -4.173 5.579 -8.583 512 1HZ LYS 66 HZ1 LYS 66 -6.745 5.005 -9.777 513 2HZ LYS 66 HZ2 LYS 66 -6.133 3.767 -8.786 514 3HZ LYS 66 HZ3 LYS 66 -5.222 4.334 -10.103 515 H GLU 67 HN GLU 67 -2.877 7.386 -2.829 516 HA GLU 67 HA GLU 67 -4.612 9.764 -2.500 517 1HB GLU 67 HB2 GLU 67 -3.337 8.134 -0.411 518 2HB GLU 67 HB1 GLU 67 -3.304 9.860 -0.186 519 1HG GLU 67 HG2 GLU 67 -5.905 8.778 -1.056 520 2HG GLU 67 HG1 GLU 67 -5.394 8.266 0.553 521 H THR 68 HN THR 68 -3.523 11.296 -3.632 522 HA THR 68 HA THR 68 -0.605 11.656 -3.078 523 HB THR 68 HB THR 68 -0.233 12.143 -5.474 524 HG1 THR 68 HG1 THR 68 -2.159 11.219 -6.759 525 1HG2 THR 68 HG21 THR 68 -0.830 9.586 -4.332 526 2HG2 THR 68 HG22 THR 68 0.310 9.969 -5.622 527 3HG2 THR 68 HG23 THR 68 -1.368 9.588 -6.011 528 H ASP 69 HN ASP 69 -3.026 12.966 -2.067 529 HA ASP 69 HA ASP 69 -3.266 15.517 -3.463 530 1HB ASP 69 HB2 ASP 69 -4.192 14.718 -0.699 531 2HB ASP 69 HB1 ASP 69 -4.711 16.156 -1.579 532 H GLY 70 HN GLY 70 -0.803 14.336 -1.800 533 1HA GLY 70 HA2 GLY 70 1.006 16.115 -1.547 534 2HA GLY 70 HA1 GLY 70 -0.119 16.840 -0.429 535 H LEU 71 HN LEU 71 2.495 15.175 -0.482 536 HA LEU 71 HA LEU 71 2.519 12.883 0.925 537 1HB LEU 71 HB2 LEU 71 4.206 15.311 1.541 538 2HB LEU 71 HB1 LEU 71 4.523 13.712 2.179 539 HG LEU 71 HG LEU 71 4.133 13.920 -0.733 540 1HD1 LEU 71 HD11 LEU 71 5.602 15.787 -0.493 541 2HD1 LEU 71 HD12 LEU 71 6.642 14.424 -0.909 542 3HD1 LEU 71 HD13 LEU 71 6.535 14.974 0.764 543 1HD2 LEU 71 HD21 LEU 71 5.847 12.342 1.184 544 2HD2 LEU 71 HD22 LEU 71 6.075 12.256 -0.562 545 3HD2 LEU 71 HD23 LEU 71 4.546 11.747 0.154 546 HA PRO 72 HA PRO 72 3.400 11.870 2.360 547 1HB PRO 72 HB2 PRO 72 2.433 9.874 3.947 548 2HB PRO 72 HB1 PRO 72 3.671 11.019 4.501 549 1HG PRO 72 HG2 PRO 72 0.773 10.915 5.159 550 2HG PRO 72 HG1 PRO 72 2.114 11.513 6.153 551 1HD PRO 72 HD2 PRO 72 0.298 13.120 4.697 552 2HD PRO 72 HD1 PRO 72 1.861 13.663 5.348 553 H TYR 73 HN TYR 73 2.820 10.219 0.912 554 HA TYR 73 HA TYR 73 0.211 10.299 -0.273 555 1HB TYR 73 HB2 TYR 73 2.094 8.041 -0.662 556 2HB TYR 73 HB1 TYR 73 1.003 8.768 -1.830 557 HD1 TYR 73 HD1 TYR 73 4.243 8.685 -0.455 558 HD2 TYR 73 HD2 TYR 73 1.522 11.177 -2.600 559 HE1 TYR 73 HE1 TYR 73 6.155 10.017 -1.272 560 HE2 TYR 73 HE2 TYR 73 3.401 12.567 -3.404 561 HH TYR 73 HH TYR 73 6.747 11.597 -2.879 562 H ARG 74 HN ARG 74 -1.153 8.297 -0.571 563 HA ARG 74 HA ARG 74 -0.743 6.208 1.403 564 1HB ARG 74 HB2 ARG 74 -2.986 8.171 1.517 565 2HB ARG 74 HB1 ARG 74 -3.300 6.478 1.920 566 1HG ARG 74 HG2 ARG 74 -1.980 6.503 3.757 567 2HG ARG 74 HG1 ARG 74 -0.886 7.693 3.099 568 1HD ARG 74 HD2 ARG 74 -3.692 8.524 3.722 569 2HD ARG 74 HD1 ARG 74 -2.548 8.349 5.053 570 HE ARG 74 HE ARG 74 -1.212 9.891 3.144 571 1HH1 ARG 74 HH11 ARG 74 -4.404 10.456 3.222 572 2HH1 ARG 74 HH12 ARG 74 -4.349 11.990 4.024 573 1HH2 ARG 74 HH21 ARG 74 -1.012 11.696 4.924 574 2HH2 ARG 74 HH22 ARG 74 -2.427 12.693 4.988 575 H TYR 75 HN TYR 75 -1.924 4.327 0.845 576 HA TYR 75 HA TYR 75 -3.462 4.401 -1.638 577 1HB TYR 75 HB2 TYR 75 -1.270 2.423 -1.627 578 2HB TYR 75 HB1 TYR 75 -2.046 3.233 -2.988 579 HD1 TYR 75 HD1 TYR 75 -1.546 5.798 -3.249 580 HD2 TYR 75 HD2 TYR 75 0.710 3.128 -0.839 581 HE1 TYR 75 HE1 TYR 75 0.385 7.348 -3.388 582 HE2 TYR 75 HE2 TYR 75 2.674 4.663 -0.942 583 HH TYR 75 HH TYR 75 2.533 7.650 -2.884 584 H LEU 76 HN LEU 76 -5.122 2.903 -1.336 585 HA LEU 76 HA LEU 76 -4.762 1.046 0.830 586 1HB LEU 76 HB2 LEU 76 -6.963 2.121 0.580 587 2HB LEU 76 HB1 LEU 76 -7.134 1.395 -1.004 588 HG LEU 76 HG LEU 76 -6.712 -0.839 0.160 589 1HD1 LEU 76 HD11 LEU 76 -7.824 0.214 2.647 590 2HD1 LEU 76 HD12 LEU 76 -6.194 0.802 2.319 591 3HD1 LEU 76 HD13 LEU 76 -6.506 -0.932 2.402 592 1HD2 LEU 76 HD21 LEU 76 -9.207 -0.150 1.292 593 2HD2 LEU 76 HD22 LEU 76 -8.880 -0.988 -0.224 594 3HD2 LEU 76 HD23 LEU 76 -9.008 0.772 -0.196 595 H ILE 77 HN ILE 77 -4.928 -1.346 0.323 596 HA ILE 77 HA ILE 77 -4.846 -1.938 -2.557 597 HB ILE 77 HB ILE 77 -2.771 -2.966 -0.618 598 1HG1 ILE 77 HG12 ILE 77 -2.818 -0.548 -2.415 599 2HG1 ILE 77 HG11 ILE 77 -2.330 -0.653 -0.727 600 1HG2 ILE 77 HG21 ILE 77 -3.533 -3.926 -3.087 601 2HG2 ILE 77 HG22 ILE 77 -1.941 -4.162 -2.371 602 3HG2 ILE 77 HG23 ILE 77 -2.207 -2.842 -3.510 603 1HD1 ILE 77 HD11 ILE 77 -0.362 -0.416 -2.184 604 2HD1 ILE 77 HD12 ILE 77 -0.839 -1.862 -3.072 605 3HD1 ILE 77 HD13 ILE 77 -0.356 -1.986 -1.380 606 H ARG 78 HN ARG 78 -6.599 -3.297 -2.663 607 HA ARG 78 HA ARG 78 -7.303 -5.055 -0.463 608 1HB ARG 78 HB2 ARG 78 -9.076 -4.347 -1.915 609 2HB ARG 78 HB1 ARG 78 -8.210 -4.905 -3.347 610 1HG ARG 78 HG2 ARG 78 -9.001 -7.002 -3.104 611 2HG ARG 78 HG1 ARG 78 -8.527 -7.047 -1.406 612 1HD ARG 78 HD2 ARG 78 -11.045 -7.242 -1.923 613 2HD ARG 78 HD1 ARG 78 -10.567 -6.071 -0.694 614 HE ARG 78 HE ARG 78 -11.463 -4.416 -2.096 615 1HH1 ARG 78 HH21 ARG 78 -10.694 -7.268 -3.869 616 2HH1 ARG 78 HH22 ARG 78 -11.078 -6.575 -5.409 617 1HH2 ARG 78 HH11 ARG 78 -11.845 -3.452 -4.114 618 2HH2 ARG 78 HH12 ARG 78 -11.729 -4.416 -5.548 619 H LYS 79 HN LYS 79 -6.025 -6.756 0.061 620 HA LYS 79 HA LYS 79 -4.091 -7.990 -1.634 621 1HB LYS 79 HB2 LYS 79 -3.913 -8.325 0.734 622 2HB LYS 79 HB1 LYS 79 -5.542 -8.993 0.828 623 1HG LYS 79 HG2 LYS 79 -3.937 -10.822 0.901 624 2HG LYS 79 HG1 LYS 79 -4.798 -10.879 -0.637 625 1HD LYS 79 HD2 LYS 79 -2.805 -9.369 -1.472 626 2HD LYS 79 HD1 LYS 79 -1.964 -10.064 -0.085 627 1HE LYS 79 HE2 LYS 79 -3.340 -11.653 -2.271 628 2HE LYS 79 HE1 LYS 79 -1.598 -11.415 -2.128 629 1HZ LYS 79 HZ1 LYS 79 -3.384 -13.085 -0.544 630 2HZ LYS 79 HZ2 LYS 79 -2.129 -12.307 0.297 631 3HZ LYS 79 HZ3 LYS 79 -1.771 -13.348 -0.998 632 H GLY 80 HN GLY 80 -4.317 -9.525 -3.200 633 1HA GLY 80 HA2 GLY 80 -6.364 -11.513 -3.266 634 2HA GLY 80 HA1 GLY 80 -6.843 -10.169 -4.304 635 H GLY 81 HN GLY 81 -6.589 -12.110 -5.886 636 1HA GLY 81 HA2 GLY 81 -4.191 -11.661 -7.432 637 2HA GLY 81 HA1 GLY 81 -4.138 -13.232 -6.631 Start of MODEL 2 1 1H MET 1 HT1 MET 1 -21.591 9.304 -0.128 2 2H MET 1 HT2 MET 1 -21.143 10.276 -1.448 3 3H MET 1 HT3 MET 1 -20.121 10.149 -0.096 4 HA MET 1 HA MET 1 -20.834 7.877 -1.867 5 1HB MET 1 HB2 MET 1 -18.593 8.128 -2.811 6 2HB MET 1 HB1 MET 1 -19.492 9.630 -3.029 7 1HG MET 1 HG2 MET 1 -18.327 10.717 -1.279 8 2HG MET 1 HG1 MET 1 -17.721 9.196 -0.624 9 1HE MET 1 HE1 MET 1 -14.308 9.391 -1.665 10 2HE MET 1 HE2 MET 1 -15.427 8.052 -1.419 11 3HE MET 1 HE3 MET 1 -15.531 9.478 -0.390 12 H THR 2 HN THR 2 -18.933 6.216 -1.548 13 HA THR 2 HA THR 2 -18.529 5.947 1.397 14 HB THR 2 HB THR 2 -18.236 3.535 0.935 15 HG1 THR 2 HG1 THR 2 -19.108 3.926 -1.682 16 1HG2 THR 2 HG21 THR 2 -20.616 5.060 0.656 17 2HG2 THR 2 HG22 THR 2 -20.463 3.380 1.170 18 3HG2 THR 2 HG23 THR 2 -20.687 3.763 -0.537 19 H ASP 3 HN ASP 3 -16.498 6.365 2.097 20 HA ASP 3 HA ASP 3 -14.295 6.820 0.313 21 1HB ASP 3 HB2 ASP 3 -12.940 7.001 2.339 22 2HB ASP 3 HB1 ASP 3 -14.481 7.823 2.590 23 H LEU 4 HN LEU 4 -12.789 5.402 -0.481 24 HA LEU 4 HA LEU 4 -13.202 2.544 -0.044 25 1HB LEU 4 HB2 LEU 4 -11.094 4.065 -1.610 26 2HB LEU 4 HB1 LEU 4 -11.270 2.309 -1.615 27 HG LEU 4 HG LEU 4 -13.610 4.086 -2.275 28 1HD1 LEU 4 HD11 LEU 4 -12.339 3.006 -4.628 29 2HD1 LEU 4 HD12 LEU 4 -11.189 4.006 -3.740 30 3HD1 LEU 4 HD13 LEU 4 -12.732 4.685 -4.259 31 1HD2 LEU 4 HD21 LEU 4 -12.798 1.215 -2.713 32 2HD2 LEU 4 HD22 LEU 4 -14.030 1.960 -3.729 33 3HD2 LEU 4 HD23 LEU 4 -14.277 1.844 -1.987 34 H PHE 5 HN PHE 5 -11.279 5.008 1.388 35 HA PHE 5 HA PHE 5 -9.239 3.139 2.385 36 1HB PHE 5 HB2 PHE 5 -9.693 6.086 2.499 37 2HB PHE 5 HB1 PHE 5 -8.728 5.357 3.783 38 HD1 PHE 5 HD1 PHE 5 -6.759 6.644 2.912 39 HD2 PHE 5 HD2 PHE 5 -8.757 3.673 0.557 40 HE1 PHE 5 HE1 PHE 5 -4.822 6.506 1.381 41 HE2 PHE 5 HE2 PHE 5 -6.792 3.560 -0.943 42 HZ PHE 5 HZ PHE 5 -4.827 5.028 -0.560 43 H SER 6 HN SER 6 -12.281 3.173 3.118 44 HA SER 6 HA SER 6 -12.730 3.853 5.775 45 1HB SER 6 HB2 SER 6 -14.553 2.888 4.630 46 2HB SER 6 HB1 SER 6 -13.622 1.473 4.151 47 HG SER 6 HG SER 6 -14.622 0.679 5.851 48 H SER 7 HN SER 7 -12.857 2.102 7.635 49 HA SER 7 HA SER 7 -10.292 1.489 8.522 50 1HB SER 7 HB2 SER 7 -11.324 -0.120 10.052 51 2HB SER 7 HB1 SER 7 -12.351 1.304 9.910 52 HG SER 7 HG SER 7 -13.653 0.170 8.475 53 HA PRO 8 HA PRO 8 -9.447 -1.633 5.370 54 1HB PRO 8 HB2 PRO 8 -6.720 -1.473 5.657 55 2HB PRO 8 HB1 PRO 8 -7.668 -0.371 4.649 56 1HG PRO 8 HG2 PRO 8 -6.437 0.124 7.323 57 2HG PRO 8 HG1 PRO 8 -6.790 1.272 6.021 58 1HD PRO 8 HD2 PRO 8 -8.330 0.920 8.358 59 2HD PRO 8 HD1 PRO 8 -8.857 1.766 6.887 60 H ASP 9 HN ASP 9 -8.235 -3.744 5.508 61 HA ASP 9 HA ASP 9 -8.630 -4.948 8.143 62 1HB ASP 9 HB2 ASP 9 -7.530 -6.078 5.552 63 2HB ASP 9 HB1 ASP 9 -7.859 -7.032 6.999 64 H HIS 10 HN HIS 10 -5.987 -3.609 6.338 65 HA HIS 10 HA HIS 10 -4.174 -4.216 8.609 66 1HB HIS 10 HB2 HIS 10 -3.805 -5.054 5.742 67 2HB HIS 10 HB1 HIS 10 -2.407 -4.719 6.757 68 HD1 HIS 10 HD1 HIS 10 -1.586 -6.686 8.053 69 HD2 HIS 10 HD2 HIS 10 -5.645 -7.017 7.156 70 HE1 HIS 10 HE1 HIS 10 -2.334 -8.936 8.943 71 H THR 11 HN THR 11 -2.000 -2.943 8.173 72 HA THR 11 HA THR 11 -2.450 -0.513 6.538 73 HB THR 11 HB THR 11 -1.688 -0.426 9.456 74 HG1 THR 11 HG1 THR 11 -3.739 0.399 9.765 75 1HG2 THR 11 HG21 THR 11 -1.989 2.031 9.147 76 2HG2 THR 11 HG22 THR 11 -2.247 1.751 7.424 77 3HG2 THR 11 HG23 THR 11 -0.684 1.380 8.154 78 H LEU 12 HN LEU 12 -0.416 0.732 6.300 79 HA LEU 12 HA LEU 12 2.064 -0.694 7.080 80 1HB LEU 12 HB2 LEU 12 1.747 -1.665 4.925 81 2HB LEU 12 HB1 LEU 12 1.220 -0.132 4.242 82 HG LEU 12 HG LEU 12 3.438 0.776 4.226 83 1HD1 LEU 12 HD11 LEU 12 5.285 -0.659 5.416 84 2HD1 LEU 12 HD12 LEU 12 3.935 -1.336 6.327 85 3HD1 LEU 12 HD13 LEU 12 4.265 0.393 6.390 86 1HD2 LEU 12 HD21 LEU 12 4.882 -1.218 3.402 87 2HD2 LEU 12 HD22 LEU 12 3.429 -0.818 2.493 88 3HD2 LEU 12 HD23 LEU 12 3.421 -2.180 3.612 89 H ASP 13 HN ASP 13 3.026 0.980 8.172 90 HA ASP 13 HA ASP 13 2.739 3.748 7.282 91 1HB ASP 13 HB2 ASP 13 3.133 3.133 9.682 92 2HB ASP 13 HB1 ASP 13 4.740 2.558 9.236 93 H ALA 14 HN ALA 14 4.160 4.825 5.867 94 HA ALA 14 HA ALA 14 6.714 3.449 5.264 95 1HB ALA 14 HB1 ALA 14 4.581 3.079 3.601 96 2HB ALA 14 HB2 ALA 14 6.273 2.940 3.127 97 3HB ALA 14 HB3 ALA 14 5.401 4.448 2.849 98 H LEU 15 HN LEU 15 5.501 5.841 6.534 99 HA LEU 15 HA LEU 15 6.544 8.155 5.152 100 1HB LEU 15 HB2 LEU 15 5.879 7.968 8.080 101 2HB LEU 15 HB1 LEU 15 5.781 9.339 6.998 102 HG LEU 15 HG LEU 15 4.058 6.902 6.643 103 1HD1 LEU 15 HD11 LEU 15 2.359 8.821 7.525 104 2HD1 LEU 15 HD12 LEU 15 3.795 9.223 8.468 105 3HD1 LEU 15 HD13 LEU 15 3.086 7.612 8.584 106 1HD2 LEU 15 HD21 LEU 15 3.671 7.965 4.689 107 2HD2 LEU 15 HD22 LEU 15 4.532 9.408 5.227 108 3HD2 LEU 15 HD23 LEU 15 2.833 9.187 5.644 109 H GLY 16 HN GLY 16 8.689 8.207 4.964 110 1HA GLY 16 HA2 GLY 16 10.905 8.546 5.864 111 2HA GLY 16 HA1 GLY 16 10.359 7.824 7.385 112 H LEU 17 HN LEU 17 9.062 5.928 5.054 113 HA LEU 17 HA LEU 17 11.188 3.894 5.296 114 1HB LEU 17 HB2 LEU 17 8.352 3.779 4.221 115 2HB LEU 17 HB1 LEU 17 9.464 2.416 4.223 116 HG LEU 17 HG LEU 17 8.030 3.703 6.493 117 1HD1 LEU 17 HD11 LEU 17 7.486 1.485 5.352 118 2HD1 LEU 17 HD12 LEU 17 7.703 1.395 7.101 119 3HD1 LEU 17 HD13 LEU 17 8.996 0.869 6.022 120 1HD2 LEU 17 HD21 LEU 17 9.658 2.756 8.082 121 2HD2 LEU 17 HD22 LEU 17 10.385 4.023 7.091 122 3HD2 LEU 17 HD23 LEU 17 10.712 2.327 6.734 123 H ARG 18 HN ARG 18 12.088 2.992 3.378 124 HA ARG 18 HA ARG 18 11.216 4.316 0.881 125 1HB ARG 18 HB2 ARG 18 13.712 4.656 0.323 126 2HB ARG 18 HB1 ARG 18 12.910 5.778 1.423 127 1HG ARG 18 HG2 ARG 18 13.832 4.631 3.358 128 2HG ARG 18 HG1 ARG 18 14.528 3.381 2.326 129 1HD ARG 18 HD2 ARG 18 15.894 5.158 1.196 130 2HD ARG 18 HD1 ARG 18 15.286 6.315 2.381 131 HE ARG 18 HE ARG 18 17.158 4.086 2.949 132 1HH1 ARG 18 HH11 ARG 18 14.916 4.874 5.008 133 2HH1 ARG 18 HH12 ARG 18 15.851 5.864 6.078 134 1HH2 ARG 18 HH21 ARG 18 18.519 6.178 3.886 135 2HH2 ARG 18 HH22 ARG 18 17.890 6.601 5.444 136 H CYS 19 HN CYS 19 11.707 3.106 -0.969 137 HA CYS 19 HA CYS 19 11.561 0.326 -0.768 138 1HB CYS 19 HB2 CYS 19 11.196 1.314 -2.891 139 2HB CYS 19 HB1 CYS 19 12.800 2.037 -2.926 140 HG CYS 19 HG CYS 19 13.813 -0.362 -3.234 141 HA PRO 20 HA PRO 20 12.006 -1.475 -1.370 142 1HB PRO 20 HB2 PRO 20 12.867 -3.840 -0.312 143 2HB PRO 20 HB1 PRO 20 13.429 -3.229 -1.878 144 1HG PRO 20 HG2 PRO 20 14.881 -3.345 0.716 145 2HG PRO 20 HG1 PRO 20 15.531 -3.301 -0.928 146 1HD PRO 20 HD2 PRO 20 15.352 -1.122 0.906 147 2HD PRO 20 HD1 PRO 20 15.846 -1.045 -0.799 148 H GLU 21 HN GLU 21 13.005 -0.432 1.625 149 HA GLU 21 HA GLU 21 11.896 -2.122 3.530 150 1HB GLU 21 HB2 GLU 21 12.315 0.799 3.471 151 2HB GLU 21 HB1 GLU 21 11.450 0.101 4.831 152 1HG GLU 21 HG2 GLU 21 13.306 -0.982 5.628 153 2HG GLU 21 HG1 GLU 21 13.957 -1.272 4.015 154 HA PRO 22 HA PRO 22 7.667 0.029 3.339 155 1HB PRO 22 HB2 PRO 22 7.110 1.283 0.949 156 2HB PRO 22 HB1 PRO 22 7.742 2.112 2.368 157 1HG PRO 22 HG2 PRO 22 9.159 1.321 -0.129 158 2HG PRO 22 HG1 PRO 22 9.494 2.669 0.971 159 1HD PRO 22 HD2 PRO 22 10.926 0.280 0.896 160 2HD PRO 22 HD1 PRO 22 10.924 1.405 2.262 161 H VAL 23 HN VAL 23 8.495 -0.547 -0.052 162 HA VAL 23 HA VAL 23 6.394 -2.253 -0.768 163 HB VAL 23 HB VAL 23 9.318 -2.575 -1.494 164 1HG1 VAL 23 HG11 VAL 23 8.120 -3.365 -3.692 165 2HG1 VAL 23 HG12 VAL 23 6.737 -3.623 -2.628 166 3HG1 VAL 23 HG13 VAL 23 8.248 -4.482 -2.333 167 1HG2 VAL 23 HG21 VAL 23 9.147 -0.758 -2.849 168 2HG2 VAL 23 HG22 VAL 23 7.736 -0.336 -1.879 169 3HG2 VAL 23 HG23 VAL 23 7.534 -1.214 -3.395 170 H MET 24 HN MET 24 9.133 -2.814 1.352 171 HA MET 24 HA MET 24 8.957 -5.713 1.324 172 1HB MET 24 HB2 MET 24 10.314 -3.665 3.035 173 2HB MET 24 HB1 MET 24 10.175 -5.315 3.639 174 1HG MET 24 HG2 MET 24 11.005 -5.285 0.854 175 2HG MET 24 HG1 MET 24 12.113 -4.352 1.859 176 1HE MET 24 HE1 MET 24 14.126 -7.567 1.650 177 2HE MET 24 HE2 MET 24 14.170 -5.807 1.705 178 3HE MET 24 HE3 MET 24 13.274 -6.618 0.423 179 H MET 25 HN MET 25 7.677 -3.197 3.509 180 HA MET 25 HA MET 25 6.502 -4.949 5.408 181 1HB MET 25 HB2 MET 25 6.022 -2.133 4.540 182 2HB MET 25 HB1 MET 25 4.782 -2.911 5.524 183 1HG MET 25 HG2 MET 25 6.512 -1.690 6.878 184 2HG MET 25 HG1 MET 25 6.395 -3.406 7.267 185 1HE MET 25 HE1 MET 25 9.913 -4.185 7.471 186 2HE MET 25 HE2 MET 25 8.350 -4.977 7.297 187 3HE MET 25 HE3 MET 25 8.517 -3.604 8.387 188 H VAL 26 HN VAL 26 5.193 -3.586 2.388 189 HA VAL 26 HA VAL 26 2.591 -4.776 2.622 190 HB VAL 26 HB VAL 26 4.200 -3.992 0.183 191 1HG1 VAL 26 HG11 VAL 26 1.243 -4.101 0.022 192 2HG1 VAL 26 HG12 VAL 26 2.032 -5.670 0.134 193 3HG1 VAL 26 HG13 VAL 26 2.449 -4.570 -1.173 194 1HG2 VAL 26 HG21 VAL 26 3.696 -1.948 1.061 195 2HG2 VAL 26 HG22 VAL 26 2.432 -2.605 2.103 196 3HG2 VAL 26 HG23 VAL 26 2.092 -2.266 0.405 197 H ARG 27 HN ARG 27 5.690 -6.060 1.605 198 HA ARG 27 HA ARG 27 4.606 -8.403 0.260 199 1HB ARG 27 HB2 ARG 27 7.326 -7.674 1.311 200 2HB ARG 27 HB1 ARG 27 6.983 -9.331 0.797 201 1HG ARG 27 HG2 ARG 27 6.312 -6.988 -0.966 202 2HG ARG 27 HG1 ARG 27 7.924 -7.691 -0.967 203 1HD ARG 27 HD2 ARG 27 5.360 -9.224 -1.475 204 2HD ARG 27 HD1 ARG 27 6.494 -8.703 -2.721 205 HE ARG 27 HE ARG 27 8.074 -10.164 -0.992 206 1HH1 ARG 27 HH21 ARG 27 5.426 -11.583 -0.412 207 2HH1 ARG 27 HH22 ARG 27 5.500 -12.892 -1.543 208 1HH2 ARG 27 HH11 ARG 27 8.042 -11.473 -3.427 209 2HH2 ARG 27 HH12 ARG 27 6.982 -12.830 -3.250 210 H LYS 28 HN LYS 28 5.657 -7.745 3.553 211 HA LYS 28 HA LYS 28 5.342 -10.523 4.415 212 1HB LYS 28 HB2 LYS 28 6.091 -7.938 5.702 213 2HB LYS 28 HB1 LYS 28 5.378 -9.168 6.747 214 1HG LYS 28 HG2 LYS 28 7.480 -10.101 4.863 215 2HG LYS 28 HG1 LYS 28 8.021 -9.080 6.197 216 1HD LYS 28 HD2 LYS 28 6.098 -11.202 6.941 217 2HD LYS 28 HD1 LYS 28 7.677 -11.775 6.404 218 1HE LYS 28 HE2 LYS 28 8.754 -10.217 8.028 219 2HE LYS 28 HE1 LYS 28 7.153 -9.764 8.611 220 1HZ LYS 28 HZ1 LYS 28 8.701 -12.088 9.195 221 2HZ LYS 28 HZ2 LYS 28 7.148 -12.495 8.639 222 3HZ LYS 28 HZ3 LYS 28 7.332 -11.478 9.989 223 H THR 29 HN THR 29 3.506 -7.614 4.294 224 HA THR 29 HA THR 29 1.274 -8.535 5.932 225 HB THR 29 HB THR 29 2.033 -6.190 4.280 226 HG1 THR 29 HG1 THR 29 0.523 -6.094 6.619 227 1HG2 THR 29 HG21 THR 29 -0.865 -6.605 5.025 228 2HG2 THR 29 HG22 THR 29 -0.229 -6.845 3.398 229 3HG2 THR 29 HG23 THR 29 -0.166 -5.251 4.139 230 H VAL 30 HN VAL 30 2.213 -8.319 2.590 231 HA VAL 30 HA VAL 30 -0.270 -9.222 1.423 232 HB VAL 30 HB VAL 30 2.600 -8.938 0.530 233 1HG1 VAL 30 HG11 VAL 30 1.827 -9.725 -1.739 234 2HG1 VAL 30 HG12 VAL 30 0.398 -10.378 -0.938 235 3HG1 VAL 30 HG13 VAL 30 1.999 -10.990 -0.521 236 1HG2 VAL 30 HG21 VAL 30 0.858 -7.048 0.541 237 2HG2 VAL 30 HG22 VAL 30 0.082 -7.913 -0.783 238 3HG2 VAL 30 HG23 VAL 30 1.730 -7.313 -0.970 239 H ARG 31 HN ARG 31 2.642 -10.659 2.680 240 HA ARG 31 HA ARG 31 2.068 -13.373 1.820 241 1HB ARG 31 HB2 ARG 31 3.950 -12.195 3.878 242 2HB ARG 31 HB1 ARG 31 3.871 -13.921 3.520 243 1HG ARG 31 HG2 ARG 31 4.756 -13.661 1.383 244 2HG ARG 31 HG1 ARG 31 4.213 -11.993 1.244 245 1HD ARG 31 HD2 ARG 31 6.294 -11.357 1.829 246 2HD ARG 31 HD1 ARG 31 5.967 -12.003 3.437 247 HE ARG 31 HE ARG 31 7.352 -13.493 1.253 248 1HH1 ARG 31 HH21 ARG 31 5.856 -13.707 4.301 249 2HH1 ARG 31 HH22 ARG 31 7.104 -14.671 5.017 250 1HH2 ARG 31 HH11 ARG 31 9.207 -14.468 2.270 251 2HH2 ARG 31 HH12 ARG 31 9.000 -15.101 3.869 252 H ASN 32 HN ASN 32 1.386 -11.338 4.610 253 HA ASN 32 HA ASN 32 0.126 -13.678 5.974 254 1HB ASN 32 HB2 ASN 32 0.093 -12.326 7.984 255 2HB ASN 32 HB1 ASN 32 1.706 -12.236 7.281 256 1HD2 ASN 32 HD21 ASN 32 1.997 -10.132 8.402 257 2HD2 ASN 32 HD22 ASN 32 1.278 -8.728 7.777 258 H MET 33 HN MET 33 -0.782 -11.482 3.747 259 HA MET 33 HA MET 33 -3.374 -10.767 4.969 260 1HB MET 33 HB2 MET 33 -1.896 -9.962 2.515 261 2HB MET 33 HB1 MET 33 -3.655 -9.924 2.429 262 1HG MET 33 HG2 MET 33 -3.344 -8.715 4.800 263 2HG MET 33 HG1 MET 33 -1.806 -8.267 4.080 264 1HE MET 33 HE1 MET 33 -5.680 -7.985 3.952 265 2HE MET 33 HE2 MET 33 -5.276 -9.037 2.598 266 3HE MET 33 HE3 MET 33 -5.961 -7.444 2.292 267 H GLN 34 HN GLN 34 -5.263 -11.015 3.275 268 HA GLN 34 HA GLN 34 -5.191 -13.746 2.082 269 1HB GLN 34 HB2 GLN 34 -7.401 -12.579 3.808 270 2HB GLN 34 HB1 GLN 34 -7.504 -14.106 2.930 271 1HG GLN 34 HG2 GLN 34 -5.276 -14.665 4.212 272 2HG GLN 34 HG1 GLN 34 -5.828 -13.409 5.321 273 1HE2 GLN 34 HE21 GLN 34 -7.124 -14.193 6.982 274 2HE2 GLN 34 HE22 GLN 34 -8.094 -15.583 6.893 275 HA PRO 35 HA PRO 35 -6.931 -11.674 -1.339 276 1HB PRO 35 HB2 PRO 35 -8.398 -13.724 -2.460 277 2HB PRO 35 HB1 PRO 35 -6.638 -13.574 -2.590 278 1HG PRO 35 HG2 PRO 35 -8.248 -15.404 -0.855 279 2HG PRO 35 HG1 PRO 35 -6.635 -15.648 -1.548 280 1HD PRO 35 HD2 PRO 35 -7.142 -14.936 1.117 281 2HD PRO 35 HD1 PRO 35 -5.587 -14.721 0.284 282 H GLY 36 HN GLY 36 -8.566 -10.244 -1.311 283 1HA GLY 36 HA2 GLY 36 -10.949 -9.714 -1.408 284 2HA GLY 36 HA1 GLY 36 -11.253 -11.111 -0.365 285 H GLU 37 HN GLU 37 -8.482 -9.181 0.340 286 HA GLU 37 HA GLU 37 -9.944 -7.982 2.658 287 1HB GLU 37 HB2 GLU 37 -7.237 -9.265 2.412 288 2HB GLU 37 HB1 GLU 37 -7.532 -8.060 3.659 289 1HG GLU 37 HG2 GLU 37 -9.140 -10.594 3.235 290 2HG GLU 37 HG1 GLU 37 -7.971 -10.323 4.528 291 H THR 38 HN THR 38 -8.220 -6.130 3.560 292 HA THR 38 HA THR 38 -7.307 -4.566 1.201 293 HB THR 38 HB THR 38 -8.332 -2.537 2.556 294 HG1 THR 38 HG1 THR 38 -9.457 -3.258 4.163 295 1HG2 THR 38 HG21 THR 38 -10.068 -2.516 0.991 296 2HG2 THR 38 HG22 THR 38 -10.288 -4.263 1.068 297 3HG2 THR 38 HG23 THR 38 -8.894 -3.586 0.227 298 H LEU 39 HN LEU 39 -5.767 -2.918 1.708 299 HA LEU 39 HA LEU 39 -4.607 -2.948 4.450 300 1HB LEU 39 HB2 LEU 39 -3.323 -4.651 3.336 301 2HB LEU 39 HB1 LEU 39 -3.164 -3.665 1.882 302 HG LEU 39 HG LEU 39 -2.059 -1.957 3.621 303 1HD1 LEU 39 HD11 LEU 39 -0.567 -3.640 5.047 304 2HD1 LEU 39 HD12 LEU 39 -2.021 -4.630 4.932 305 3HD1 LEU 39 HD13 LEU 39 -2.102 -3.024 5.655 306 1HD2 LEU 39 HD21 LEU 39 -0.989 -2.898 1.597 307 2HD2 LEU 39 HD22 LEU 39 -0.641 -4.383 2.481 308 3HD2 LEU 39 HD23 LEU 39 0.130 -2.872 2.960 309 H LEU 40 HN LEU 40 -4.483 -0.777 4.952 310 HA LEU 40 HA LEU 40 -4.283 1.221 2.794 311 1HB LEU 40 HB2 LEU 40 -5.797 1.842 4.541 312 2HB LEU 40 HB1 LEU 40 -4.643 1.397 5.797 313 HG LEU 40 HG LEU 40 -3.126 3.211 4.982 314 1HD1 LEU 40 HD11 LEU 40 -4.295 3.177 2.664 315 2HD1 LEU 40 HD12 LEU 40 -3.803 4.739 3.318 316 3HD1 LEU 40 HD13 LEU 40 -5.491 4.235 3.414 317 1HD2 LEU 40 HD21 LEU 40 -4.163 4.765 6.320 318 2HD2 LEU 40 HD22 LEU 40 -5.210 3.395 6.691 319 3HD2 LEU 40 HD23 LEU 40 -5.713 4.592 5.497 320 H ILE 41 HN ILE 41 -2.411 2.517 2.497 321 HA ILE 41 HA ILE 41 -0.076 1.852 4.234 322 HB ILE 41 HB ILE 41 0.135 2.014 1.230 323 1HG1 ILE 41 HG12 ILE 41 -0.715 -0.291 2.983 324 2HG1 ILE 41 HG11 ILE 41 -1.368 0.227 1.438 325 1HG2 ILE 41 HG21 ILE 41 1.940 0.227 2.611 326 2HG2 ILE 41 HG22 ILE 41 1.974 1.816 3.366 327 3HG2 ILE 41 HG23 ILE 41 2.316 1.650 1.645 328 1HD1 ILE 41 HD11 ILE 41 -0.156 -1.524 0.635 329 2HD1 ILE 41 HD12 ILE 41 0.961 -1.505 1.998 330 3HD1 ILE 41 HD13 ILE 41 1.162 -0.353 0.679 331 H ILE 42 HN ILE 42 0.976 3.726 4.863 332 HA ILE 42 HA ILE 42 0.459 6.156 3.237 333 HB ILE 42 HB ILE 42 1.824 6.091 5.924 334 1HG1 ILE 42 HG12 ILE 42 -1.092 5.819 5.249 335 2HG1 ILE 42 HG11 ILE 42 -0.164 5.022 6.522 336 1HG2 ILE 42 HG21 ILE 42 0.048 8.189 4.646 337 2HG2 ILE 42 HG22 ILE 42 1.791 8.149 4.413 338 3HG2 ILE 42 HG23 ILE 42 1.127 8.390 6.023 339 1HD1 ILE 42 HD11 ILE 42 0.104 7.258 7.622 340 2HD1 ILE 42 HD12 ILE 42 -1.566 6.691 7.556 341 3HD1 ILE 42 HD13 ILE 42 -1.005 7.921 6.422 342 H ALA 43 HN ALA 43 2.392 7.518 2.877 343 HA ALA 43 HA ALA 43 5.005 6.291 3.222 344 1HB ALA 43 HB1 ALA 43 4.476 6.748 0.352 345 2HB ALA 43 HB2 ALA 43 3.633 5.364 1.046 346 3HB ALA 43 HB3 ALA 43 5.392 5.462 1.136 347 H ASP 44 HN ASP 44 6.402 7.953 3.418 348 HA ASP 44 HA ASP 44 5.547 10.554 2.256 349 1HB ASP 44 HB2 ASP 44 6.611 11.669 3.960 350 2HB ASP 44 HB1 ASP 44 6.205 10.202 4.827 351 H ASP 45 HN ASP 45 7.860 8.000 2.329 352 HA ASP 45 HA ASP 45 9.968 9.259 0.871 353 1HB ASP 45 HB2 ASP 45 10.474 7.196 1.787 354 2HB ASP 45 HB1 ASP 45 8.966 6.494 1.237 355 HA PRO 46 HA PRO 46 7.895 9.832 -2.989 356 1HB PRO 46 HB2 PRO 46 10.127 10.290 -4.526 357 2HB PRO 46 HB1 PRO 46 9.441 11.490 -3.416 358 1HG PRO 46 HG2 PRO 46 11.903 9.839 -3.109 359 2HG PRO 46 HG1 PRO 46 11.509 11.409 -2.391 360 1HD PRO 46 HD2 PRO 46 11.379 8.902 -1.082 361 2HD PRO 46 HD1 PRO 46 10.697 10.425 -0.488 362 H ALA 47 HN ALA 47 10.294 7.422 -2.456 363 HA ALA 47 HA ALA 47 9.877 6.116 -5.074 364 1HB ALA 47 HB1 ALA 47 12.126 6.111 -4.035 365 2HB ALA 47 HB2 ALA 47 11.519 4.471 -4.260 366 3HB ALA 47 HB3 ALA 47 11.482 5.213 -2.661 367 H THR 48 HN THR 48 8.173 6.215 -2.220 368 HA THR 48 HA THR 48 7.428 3.358 -2.208 369 HB THR 48 HB THR 48 5.741 4.275 -0.440 370 HG1 THR 48 HG1 THR 48 7.493 6.339 -0.010 371 1HG2 THR 48 HG21 THR 48 8.360 4.824 0.691 372 2HG2 THR 48 HG22 THR 48 8.384 3.390 -0.334 373 3HG2 THR 48 HG23 THR 48 7.258 3.487 1.020 374 H THR 49 HN THR 49 6.008 6.499 -3.048 375 HA THR 49 HA THR 49 3.378 5.613 -3.650 376 HB THR 49 HB THR 49 3.062 7.662 -4.677 377 HG1 THR 49 HG1 THR 49 4.147 7.574 -6.502 378 1HG2 THR 49 HG21 THR 49 4.158 9.239 -3.427 379 2HG2 THR 49 HG22 THR 49 5.743 8.521 -3.718 380 3HG2 THR 49 HG23 THR 49 4.656 7.807 -2.526 381 H ARG 50 HN ARG 50 6.388 5.407 -5.430 382 HA ARG 50 HA ARG 50 4.957 4.271 -7.773 383 1HB ARG 50 HB2 ARG 50 7.804 5.135 -7.293 384 2HB ARG 50 HB1 ARG 50 7.317 4.273 -8.752 385 1HG ARG 50 HG2 ARG 50 5.388 6.250 -8.526 386 2HG ARG 50 HG1 ARG 50 6.861 7.069 -8.006 387 1HD ARG 50 HD2 ARG 50 7.984 6.550 -10.053 388 2HD ARG 50 HD1 ARG 50 6.727 5.409 -10.531 389 HE ARG 50 HE ARG 50 6.531 8.357 -10.671 390 1HH1 ARG 50 HH21 ARG 50 4.855 5.363 -10.521 391 2HH1 ARG 50 HH22 ARG 50 3.604 5.850 -11.615 392 1HH2 ARG 50 HH11 ARG 50 5.009 8.953 -12.263 393 2HH2 ARG 50 HH12 ARG 50 3.691 7.881 -12.602 394 H ASP 51 HN ASP 51 7.354 3.262 -5.361 395 HA ASP 51 HA ASP 51 7.631 0.636 -6.627 396 1HB ASP 51 HB2 ASP 51 8.710 1.717 -4.012 397 2HB ASP 51 HB1 ASP 51 9.167 0.171 -4.737 398 H ILE 52 HN ILE 52 6.236 1.773 -3.523 399 HA ILE 52 HA ILE 52 5.590 -0.772 -2.518 400 HB ILE 52 HB ILE 52 4.537 1.969 -2.083 401 1HG1 ILE 52 HG12 ILE 52 5.652 -0.288 -0.421 402 2HG1 ILE 52 HG11 ILE 52 6.376 1.286 -0.753 403 1HG2 ILE 52 HG21 ILE 52 3.087 -0.505 -1.080 404 2HG2 ILE 52 HG22 ILE 52 2.443 0.658 -2.239 405 3HG2 ILE 52 HG23 ILE 52 2.753 1.153 -0.575 406 1HD1 ILE 52 HD11 ILE 52 4.686 2.408 0.577 407 2HD1 ILE 52 HD12 ILE 52 5.381 1.110 1.547 408 3HD1 ILE 52 HD13 ILE 52 3.801 0.899 0.797 409 HA PRO 53 HA PRO 53 1.462 -0.657 -4.814 410 1HB PRO 53 HB2 PRO 53 1.275 1.105 -6.910 411 2HB PRO 53 HB1 PRO 53 0.688 1.429 -5.268 412 1HG PRO 53 HG2 PRO 53 3.105 2.487 -6.655 413 2HG PRO 53 HG1 PRO 53 2.170 3.205 -5.332 414 1HD PRO 53 HD2 PRO 53 4.643 1.881 -5.068 415 2HD PRO 53 HD1 PRO 53 3.532 2.272 -3.736 416 H GLY 54 HN GLY 54 4.065 0.439 -7.015 417 1HA GLY 54 HA2 GLY 54 3.515 -1.277 -9.160 418 2HA GLY 54 HA1 GLY 54 5.163 -0.814 -8.698 419 H PHE 55 HN PHE 55 4.695 -2.002 -5.956 420 HA PHE 55 HA PHE 55 5.537 -4.716 -6.663 421 1HB PHE 55 HB2 PHE 55 6.657 -4.078 -4.747 422 2HB PHE 55 HB1 PHE 55 5.318 -3.090 -4.168 423 HD1 PHE 55 HD1 PHE 55 5.308 -6.682 -5.238 424 HD2 PHE 55 HD2 PHE 55 4.871 -3.891 -2.013 425 HE1 PHE 55 HE1 PHE 55 4.534 -8.507 -3.762 426 HE2 PHE 55 HE2 PHE 55 4.111 -5.724 -0.557 427 HZ PHE 55 HZ PHE 55 3.925 -8.028 -1.418 428 H CYS 56 HN CYS 56 2.739 -3.333 -4.850 429 HA CYS 56 HA CYS 56 1.361 -5.748 -4.444 430 1HB CYS 56 HB2 CYS 56 0.415 -2.932 -4.949 431 2HB CYS 56 HB1 CYS 56 -0.731 -4.246 -4.674 432 HG CYS 56 HG CYS 56 -0.079 -4.342 -2.268 433 H THR 57 HN THR 57 1.491 -3.737 -7.359 434 HA THR 57 HA THR 57 -0.517 -5.200 -8.802 435 HB THR 57 HB THR 57 1.877 -3.683 -9.880 436 HG1 THR 57 HG1 THR 57 0.268 -2.026 -10.095 437 1HG2 THR 57 HG21 THR 57 -0.253 -3.492 -11.655 438 2HG2 THR 57 HG22 THR 57 -0.304 -5.173 -11.123 439 3HG2 THR 57 HG23 THR 57 1.164 -4.522 -11.850 440 H PHE 58 HN PHE 58 2.948 -5.665 -8.358 441 HA PHE 58 HA PHE 58 3.252 -7.716 -10.353 442 1HB PHE 58 HB2 PHE 58 5.026 -6.286 -8.998 443 2HB PHE 58 HB1 PHE 58 4.968 -7.666 -7.902 444 HD1 PHE 58 HD1 PHE 58 6.544 -6.368 -10.763 445 HD2 PHE 58 HD2 PHE 58 5.017 -10.040 -9.140 446 HE1 PHE 58 HE1 PHE 58 8.008 -7.654 -12.297 447 HE2 PHE 58 HE2 PHE 58 6.480 -11.326 -10.675 448 HZ PHE 58 HZ PHE 58 7.976 -10.133 -12.253 449 H MET 59 HN MET 59 2.216 -7.791 -6.972 450 HA MET 59 HA MET 59 2.385 -10.727 -6.926 451 1HB MET 59 HB2 MET 59 1.893 -8.622 -4.938 452 2HB MET 59 HB1 MET 59 1.162 -10.188 -4.620 453 1HG MET 59 HG2 MET 59 4.087 -9.731 -5.261 454 2HG MET 59 HG1 MET 59 3.440 -10.014 -3.645 455 1HE MET 59 HE1 MET 59 5.422 -11.688 -6.170 456 2HE MET 59 HE2 MET 59 5.443 -13.167 -5.214 457 3HE MET 59 HE3 MET 59 5.658 -11.610 -4.420 458 H GLU 60 HN GLU 60 0.240 -8.743 -8.337 459 HA GLU 60 HA GLU 60 -1.871 -9.305 -9.250 460 1HB GLU 60 HB2 GLU 60 -1.049 -11.734 -8.639 461 2HB GLU 60 HB1 GLU 60 -2.206 -11.573 -7.318 462 1HG GLU 60 HG2 GLU 60 -3.633 -12.396 -8.925 463 2HG GLU 60 HG1 GLU 60 -3.759 -10.681 -9.314 464 H HIS 61 HN HIS 61 -1.319 -7.707 -6.737 465 HA HIS 61 HA HIS 61 -3.867 -8.025 -5.276 466 1HB HIS 61 HB2 HIS 61 -1.563 -6.117 -4.774 467 2HB HIS 61 HB1 HIS 61 -2.890 -6.486 -3.678 468 HD1 HIS 61 HD1 HIS 61 -2.503 -9.613 -4.939 469 HD2 HIS 61 HD2 HIS 61 0.040 -7.336 -2.551 470 HE1 HIS 61 HE1 HIS 61 -0.936 -11.241 -3.819 471 H GLU 62 HN GLU 62 -4.893 -5.726 -4.725 472 HA GLU 62 HA GLU 62 -4.920 -4.180 -7.285 473 1HB GLU 62 HB2 GLU 62 -7.102 -5.223 -5.567 474 2HB GLU 62 HB1 GLU 62 -7.352 -3.651 -6.308 475 1HG GLU 62 HG2 GLU 62 -6.677 -4.722 -8.519 476 2HG GLU 62 HG1 GLU 62 -6.768 -6.280 -7.696 477 H LEU 63 HN LEU 63 -5.000 -1.991 -7.148 478 HA LEU 63 HA LEU 63 -4.345 -0.762 -4.536 479 1HB LEU 63 HB2 LEU 63 -3.011 0.231 -6.189 480 2HB LEU 63 HB1 LEU 63 -4.261 0.090 -7.422 481 HG LEU 63 HG LEU 63 -5.563 1.855 -6.070 482 1HD1 LEU 63 HD11 LEU 63 -4.602 2.869 -4.276 483 2HD1 LEU 63 HD12 LEU 63 -3.008 2.888 -5.029 484 3HD1 LEU 63 HD13 LEU 63 -3.581 1.433 -4.214 485 1HD2 LEU 63 HD21 LEU 63 -3.126 3.230 -6.950 486 2HD2 LEU 63 HD22 LEU 63 -4.769 3.343 -7.581 487 3HD2 LEU 63 HD23 LEU 63 -3.708 2.038 -8.112 488 H VAL 64 HN VAL 64 -6.283 -0.678 -3.335 489 HA VAL 64 HA VAL 64 -8.796 -0.350 -4.631 490 HB VAL 64 HB VAL 64 -7.880 -0.226 -1.759 491 1HG1 VAL 64 HG11 VAL 64 -10.607 -0.056 -3.014 492 2HG1 VAL 64 HG12 VAL 64 -9.893 1.031 -1.821 493 3HG1 VAL 64 HG13 VAL 64 -10.368 -0.606 -1.357 494 1HG2 VAL 64 HG21 VAL 64 -8.179 -2.465 -1.787 495 2HG2 VAL 64 HG22 VAL 64 -8.175 -2.326 -3.545 496 3HG2 VAL 64 HG23 VAL 64 -9.702 -2.328 -2.663 497 H ALA 65 HN ALA 65 -6.805 1.989 -2.680 498 HA ALA 65 HA ALA 65 -8.114 4.116 -4.305 499 1HB ALA 65 HB1 ALA 65 -8.711 3.592 -1.482 500 2HB ALA 65 HB2 ALA 65 -9.592 4.569 -2.657 501 3HB ALA 65 HB3 ALA 65 -8.217 5.256 -1.793 502 H LYS 66 HN LYS 66 -6.563 5.701 -4.826 503 HA LYS 66 HA LYS 66 -4.025 5.520 -3.336 504 1HB LYS 66 HB2 LYS 66 -4.421 7.273 -5.704 505 2HB LYS 66 HB1 LYS 66 -2.987 6.375 -5.207 506 1HG LYS 66 HG2 LYS 66 -3.682 5.015 -6.864 507 2HG LYS 66 HG1 LYS 66 -4.653 4.329 -5.592 508 1HD LYS 66 HD2 LYS 66 -6.444 4.745 -6.905 509 2HD LYS 66 HD1 LYS 66 -6.186 6.451 -6.533 510 1HE LYS 66 HE2 LYS 66 -4.908 6.797 -8.510 511 2HE LYS 66 HE1 LYS 66 -4.726 5.064 -8.786 512 1HZ LYS 66 HZ1 LYS 66 -6.414 5.554 -10.220 513 2HZ LYS 66 HZ2 LYS 66 -7.054 6.788 -9.243 514 3HZ LYS 66 HZ3 LYS 66 -7.318 5.159 -8.840 515 H GLU 67 HN GLU 67 -2.928 7.477 -2.792 516 HA GLU 67 HA GLU 67 -4.654 9.846 -2.375 517 1HB GLU 67 HB2 GLU 67 -3.327 8.176 -0.352 518 2HB GLU 67 HB1 GLU 67 -3.291 9.896 -0.091 519 1HG GLU 67 HG2 GLU 67 -5.925 9.153 -0.935 520 2HG GLU 67 HG1 GLU 67 -5.444 8.108 0.402 521 H THR 68 HN THR 68 -3.592 11.395 -3.508 522 HA THR 68 HA THR 68 -0.660 11.742 -3.027 523 HB THR 68 HB THR 68 -0.239 12.089 -5.366 524 HG1 THR 68 HG1 THR 68 -1.993 11.985 -6.855 525 1HG2 THR 68 HG21 THR 68 -1.099 9.921 -6.369 526 2HG2 THR 68 HG22 THR 68 -2.013 9.687 -4.880 527 3HG2 THR 68 HG23 THR 68 -0.251 9.750 -4.832 528 H ASP 69 HN ASP 69 -3.057 13.047 -1.940 529 HA ASP 69 HA ASP 69 -3.325 15.616 -3.296 530 1HB ASP 69 HB2 ASP 69 -4.161 14.811 -0.505 531 2HB ASP 69 HB1 ASP 69 -4.723 16.235 -1.381 532 H GLY 70 HN GLY 70 -0.815 14.410 -1.717 533 1HA GLY 70 HA2 GLY 70 1.014 16.162 -1.496 534 2HA GLY 70 HA1 GLY 70 -0.077 16.907 -0.359 535 H LEU 71 HN LEU 71 2.518 15.216 -0.451 536 HA LEU 71 HA LEU 71 2.546 12.926 0.957 537 1HB LEU 71 HB2 LEU 71 4.258 15.338 1.570 538 2HB LEU 71 HB1 LEU 71 4.570 13.731 2.188 539 HG LEU 71 HG LEU 71 4.151 13.975 -0.718 540 1HD1 LEU 71 HD11 LEU 71 6.826 14.323 -0.624 541 2HD1 LEU 71 HD12 LEU 71 6.358 15.265 0.791 542 3HD1 LEU 71 HD13 LEU 71 5.700 15.670 -0.794 543 1HD2 LEU 71 HD21 LEU 71 6.071 12.286 -0.588 544 2HD2 LEU 71 HD22 LEU 71 4.544 11.789 0.143 545 3HD2 LEU 71 HD23 LEU 71 5.866 12.356 1.162 546 HA PRO 72 HA PRO 72 3.422 11.892 2.379 547 1HB PRO 72 HB2 PRO 72 2.436 9.907 3.967 548 2HB PRO 72 HB1 PRO 72 3.696 11.031 4.515 549 1HG PRO 72 HG2 PRO 72 0.800 10.970 5.194 550 2HG PRO 72 HG1 PRO 72 2.159 11.542 6.181 551 1HD PRO 72 HD2 PRO 72 0.359 13.185 4.748 552 2HD PRO 72 HD1 PRO 72 1.938 13.698 5.386 553 H TYR 73 HN TYR 73 2.812 10.262 0.931 554 HA TYR 73 HA TYR 73 0.196 10.361 -0.238 555 1HB TYR 73 HB2 TYR 73 2.069 8.098 -0.649 556 2HB TYR 73 HB1 TYR 73 0.970 8.830 -1.808 557 HD1 TYR 73 HD1 TYR 73 4.226 8.736 -0.460 558 HD2 TYR 73 HD2 TYR 73 1.485 11.237 -2.574 559 HE1 TYR 73 HE1 TYR 73 6.133 10.060 -1.306 560 HE2 TYR 73 HE2 TYR 73 3.358 12.620 -3.402 561 HH TYR 73 HH TYR 73 6.730 11.910 -2.432 562 H ARG 74 HN ARG 74 -1.160 8.346 -0.554 563 HA ARG 74 HA ARG 74 -0.749 6.249 1.414 564 1HB ARG 74 HB2 ARG 74 -2.994 8.211 1.541 565 2HB ARG 74 HB1 ARG 74 -3.311 6.516 1.928 566 1HG ARG 74 HG2 ARG 74 -1.993 6.521 3.766 567 2HG ARG 74 HG1 ARG 74 -0.901 7.721 3.123 568 1HD ARG 74 HD2 ARG 74 -1.962 9.074 4.646 569 2HD ARG 74 HD1 ARG 74 -3.127 9.231 3.332 570 HE ARG 74 HE ARG 74 -3.543 7.063 5.322 571 1HH1 ARG 74 HH11 ARG 74 -5.003 9.101 3.132 572 2HH1 ARG 74 HH12 ARG 74 -6.316 9.573 4.158 573 1HH2 ARG 74 HH21 ARG 74 -4.988 8.085 6.994 574 2HH2 ARG 74 HH22 ARG 74 -6.309 8.996 6.343 575 H TYR 75 HN TYR 75 -1.949 4.374 0.847 576 HA TYR 75 HA TYR 75 -3.478 4.472 -1.637 577 1HB TYR 75 HB2 TYR 75 -1.294 2.490 -1.654 578 2HB TYR 75 HB1 TYR 75 -2.067 3.324 -3.002 579 HD1 TYR 75 HD1 TYR 75 -1.538 5.867 -3.267 580 HD2 TYR 75 HD2 TYR 75 0.672 3.194 -0.813 581 HE1 TYR 75 HE1 TYR 75 0.406 7.405 -3.387 582 HE2 TYR 75 HE2 TYR 75 2.645 4.718 -0.894 583 HH TYR 75 HH TYR 75 3.390 6.708 -1.569 584 H LEU 76 HN LEU 76 -5.144 3.007 -1.320 585 HA LEU 76 HA LEU 76 -4.768 1.085 0.787 586 1HB LEU 76 HB2 LEU 76 -6.958 2.178 0.628 587 2HB LEU 76 HB1 LEU 76 -7.167 1.540 -0.986 588 HG LEU 76 HG LEU 76 -6.767 -0.756 0.035 589 1HD1 LEU 76 HD11 LEU 76 -7.748 0.262 2.620 590 2HD1 LEU 76 HD12 LEU 76 -6.071 0.667 2.251 591 3HD1 LEU 76 HD13 LEU 76 -6.586 -1.020 2.280 592 1HD2 LEU 76 HD21 LEU 76 -9.214 -0.033 1.292 593 2HD2 LEU 76 HD22 LEU 76 -8.954 -0.875 -0.234 594 3HD2 LEU 76 HD23 LEU 76 -9.033 0.887 -0.201 595 H ILE 77 HN ILE 77 -4.960 -1.285 0.216 596 HA ILE 77 HA ILE 77 -4.967 -1.806 -2.676 597 HB ILE 77 HB ILE 77 -2.829 -2.882 -0.840 598 1HG1 ILE 77 HG12 ILE 77 -2.923 -0.428 -2.585 599 2HG1 ILE 77 HG11 ILE 77 -2.385 -0.566 -0.914 600 1HG2 ILE 77 HG21 ILE 77 -1.931 -3.902 -2.715 601 2HG2 ILE 77 HG22 ILE 77 -2.571 -2.679 -3.812 602 3HG2 ILE 77 HG23 ILE 77 -3.633 -3.932 -3.170 603 1HD1 ILE 77 HD11 ILE 77 -0.398 -1.769 -1.581 604 2HD1 ILE 77 HD12 ILE 77 -0.505 -0.311 -2.568 605 3HD1 ILE 77 HD13 ILE 77 -0.963 -1.871 -3.249 606 H ARG 78 HN ARG 78 -6.720 -3.188 -2.768 607 HA ARG 78 HA ARG 78 -7.321 -5.002 -0.572 608 1HB ARG 78 HB2 ARG 78 -9.168 -4.319 -1.936 609 2HB ARG 78 HB1 ARG 78 -8.336 -4.800 -3.415 610 1HG ARG 78 HG2 ARG 78 -9.025 -6.941 -3.212 611 2HG ARG 78 HG1 ARG 78 -8.539 -7.006 -1.517 612 1HD ARG 78 HD2 ARG 78 -10.609 -6.225 -0.756 613 2HD ARG 78 HD1 ARG 78 -11.010 -5.485 -2.306 614 HE ARG 78 HE ARG 78 -11.828 -8.058 -1.578 615 1HH1 ARG 78 HH21 ARG 78 -12.394 -6.632 -4.225 616 2HH1 ARG 78 HH22 ARG 78 -11.748 -7.773 -5.358 617 1HH2 ARG 78 HH11 ARG 78 -9.943 -9.524 -2.971 618 2HH2 ARG 78 HH12 ARG 78 -10.362 -9.409 -4.647 619 H LYS 79 HN LYS 79 -5.994 -6.706 -0.138 620 HA LYS 79 HA LYS 79 -4.145 -7.842 -2.025 621 1HB LYS 79 HB2 LYS 79 -4.644 -8.067 0.721 622 2HB LYS 79 HB1 LYS 79 -4.954 -9.679 0.080 623 1HG LYS 79 HG2 LYS 79 -2.627 -8.772 -1.228 624 2HG LYS 79 HG1 LYS 79 -2.423 -8.334 0.468 625 1HD LYS 79 HD2 LYS 79 -1.731 -10.485 0.717 626 2HD LYS 79 HD1 LYS 79 -3.454 -10.864 0.683 627 1HE LYS 79 HE2 LYS 79 -2.909 -10.713 -1.987 628 2HE LYS 79 HE1 LYS 79 -1.379 -11.337 -1.369 629 1HZ LYS 79 HZ1 LYS 79 -2.409 -13.301 -1.423 630 2HZ LYS 79 HZ2 LYS 79 -3.958 -12.610 -1.522 631 3HZ LYS 79 HZ3 LYS 79 -3.199 -12.789 -0.012 632 H GLY 80 HN GLY 80 -4.993 -8.739 -3.855 633 1HA GLY 80 HA2 GLY 80 -6.239 -11.223 -3.939 634 2HA GLY 80 HA1 GLY 80 -7.569 -10.065 -3.905 635 H GLY 81 HN GLY 81 -7.293 -11.615 -6.143 636 1HA GLY 81 HA2 GLY 81 -6.126 -9.720 -8.145 637 2HA GLY 81 HA1 GLY 81 -6.177 -11.467 -8.389 Start of MODEL 3 1 1H MET 1 HT1 MET 1 -21.985 7.922 2.047 2 2H MET 1 HT2 MET 1 -22.388 7.387 0.486 3 3H MET 1 HT3 MET 1 -22.480 9.039 0.870 4 HA MET 1 HA MET 1 -20.472 8.244 -0.468 5 1HB MET 1 HB2 MET 1 -20.469 9.970 1.995 6 2HB MET 1 HB1 MET 1 -18.968 9.712 1.104 7 1HG MET 1 HG2 MET 1 -19.611 11.276 -0.378 8 2HG MET 1 HG1 MET 1 -20.984 10.261 -0.820 9 1HE MET 1 HE1 MET 1 -21.913 13.383 -1.124 10 2HE MET 1 HE2 MET 1 -23.449 12.748 -0.537 11 3HE MET 1 HE3 MET 1 -22.382 11.717 -1.488 12 H THR 2 HN THR 2 -19.418 6.301 -0.456 13 HA THR 2 HA THR 2 -18.461 5.233 2.158 14 HB THR 2 HB THR 2 -18.320 3.711 -0.430 15 HG1 THR 2 HG1 THR 2 -20.598 3.799 1.242 16 1HG2 THR 2 HG21 THR 2 -17.558 3.116 2.110 17 2HG2 THR 2 HG22 THR 2 -18.059 1.901 0.933 18 3HG2 THR 2 HG23 THR 2 -19.213 2.505 2.122 19 H ASP 3 HN ASP 3 -16.390 5.794 2.615 20 HA ASP 3 HA ASP 3 -14.543 6.640 0.522 21 1HB ASP 3 HB2 ASP 3 -14.558 6.522 3.483 22 2HB ASP 3 HB1 ASP 3 -12.974 6.352 2.727 23 H LEU 4 HN LEU 4 -13.024 5.386 -0.486 24 HA LEU 4 HA LEU 4 -13.114 2.521 -0.217 25 1HB LEU 4 HB2 LEU 4 -11.195 4.395 -1.622 26 2HB LEU 4 HB1 LEU 4 -11.031 2.639 -1.687 27 HG LEU 4 HG LEU 4 -13.532 4.151 -2.492 28 1HD1 LEU 4 HD11 LEU 4 -11.194 3.086 -4.082 29 2HD1 LEU 4 HD12 LEU 4 -11.902 4.700 -4.130 30 3HD1 LEU 4 HD13 LEU 4 -12.778 3.332 -4.816 31 1HD2 LEU 4 HD21 LEU 4 -12.669 1.251 -2.615 32 2HD2 LEU 4 HD22 LEU 4 -14.000 1.883 -3.585 33 3HD2 LEU 4 HD23 LEU 4 -14.096 1.923 -1.824 34 H PHE 5 HN PHE 5 -11.228 5.021 1.315 35 HA PHE 5 HA PHE 5 -9.228 3.117 2.328 36 1HB PHE 5 HB2 PHE 5 -9.641 6.071 2.447 37 2HB PHE 5 HB1 PHE 5 -8.693 5.325 3.734 38 HD1 PHE 5 HD1 PHE 5 -6.713 6.612 2.864 39 HD2 PHE 5 HD2 PHE 5 -8.710 3.634 0.515 40 HE1 PHE 5 HE1 PHE 5 -4.769 6.459 1.341 41 HE2 PHE 5 HE2 PHE 5 -6.737 3.508 -0.975 42 HZ PHE 5 HZ PHE 5 -4.771 4.971 -0.591 43 H SER 6 HN SER 6 -12.276 3.207 3.029 44 HA SER 6 HA SER 6 -12.743 3.888 5.686 45 1HB SER 6 HB2 SER 6 -13.644 1.368 4.258 46 2HB SER 6 HB1 SER 6 -14.343 1.980 5.754 47 HG SER 6 HG SER 6 -15.557 3.108 4.462 48 H SER 7 HN SER 7 -12.939 2.128 7.542 49 HA SER 7 HA SER 7 -10.405 1.451 8.462 50 1HB SER 7 HB2 SER 7 -11.596 -0.351 9.815 51 2HB SER 7 HB1 SER 7 -12.253 1.275 9.968 52 HG SER 7 HG SER 7 -13.583 -0.821 9.326 53 HA PRO 8 HA PRO 8 -9.583 -1.684 5.314 54 1HB PRO 8 HB2 PRO 8 -6.856 -1.568 5.632 55 2HB PRO 8 HB1 PRO 8 -7.774 -0.445 4.617 56 1HG PRO 8 HG2 PRO 8 -6.565 0.018 7.307 57 2HG PRO 8 HG1 PRO 8 -6.883 1.176 6.005 58 1HD PRO 8 HD2 PRO 8 -8.456 0.844 8.321 59 2HD PRO 8 HD1 PRO 8 -8.949 1.705 6.847 60 H ASP 9 HN ASP 9 -8.252 -3.782 5.477 61 HA ASP 9 HA ASP 9 -8.750 -4.994 8.104 62 1HB ASP 9 HB2 ASP 9 -7.547 -6.169 5.575 63 2HB ASP 9 HB1 ASP 9 -8.039 -7.086 7.000 64 H HIS 10 HN HIS 10 -6.084 -3.648 6.346 65 HA HIS 10 HA HIS 10 -4.299 -4.258 8.637 66 1HB HIS 10 HB2 HIS 10 -3.887 -5.078 5.771 67 2HB HIS 10 HB1 HIS 10 -2.505 -4.748 6.808 68 HD1 HIS 10 HD1 HIS 10 -1.716 -6.707 8.143 69 HD2 HIS 10 HD2 HIS 10 -5.738 -7.067 7.111 70 HE1 HIS 10 HE1 HIS 10 -2.477 -8.964 9.006 71 H THR 11 HN THR 11 -2.126 -2.971 8.236 72 HA THR 11 HA THR 11 -2.573 -0.538 6.606 73 HB THR 11 HB THR 11 -1.825 -0.443 9.526 74 HG1 THR 11 HG1 THR 11 -4.250 -0.224 8.163 75 1HG2 THR 11 HG21 THR 11 -2.462 1.722 7.502 76 2HG2 THR 11 HG22 THR 11 -0.881 1.391 8.208 77 3HG2 THR 11 HG23 THR 11 -2.189 2.003 9.221 78 H LEU 12 HN LEU 12 -0.554 0.709 6.368 79 HA LEU 12 HA LEU 12 1.947 -0.674 7.176 80 1HB LEU 12 HB2 LEU 12 1.624 -1.675 5.023 81 2HB LEU 12 HB1 LEU 12 1.108 -0.144 4.323 82 HG LEU 12 HG LEU 12 3.341 0.768 4.363 83 1HD1 LEU 12 HD11 LEU 12 5.182 -0.619 5.503 84 2HD1 LEU 12 HD12 LEU 12 3.879 -1.509 6.294 85 3HD1 LEU 12 HD13 LEU 12 4.062 0.220 6.570 86 1HD2 LEU 12 HD21 LEU 12 3.252 -2.156 3.618 87 2HD2 LEU 12 HD22 LEU 12 4.740 -1.226 3.449 88 3HD2 LEU 12 HD23 LEU 12 3.294 -0.743 2.564 89 H ASP 13 HN ASP 13 2.998 1.022 8.178 90 HA ASP 13 HA ASP 13 2.623 3.766 7.185 91 1HB ASP 13 HB2 ASP 13 2.946 3.510 9.581 92 2HB ASP 13 HB1 ASP 13 4.425 2.583 9.329 93 H ALA 14 HN ALA 14 4.206 4.889 5.900 94 HA ALA 14 HA ALA 14 6.705 3.410 5.345 95 1HB ALA 14 HB1 ALA 14 4.694 2.887 3.682 96 2HB ALA 14 HB2 ALA 14 6.368 2.985 3.136 97 3HB ALA 14 HB3 ALA 14 5.287 4.363 2.920 98 H LEU 15 HN LEU 15 5.597 5.859 6.551 99 HA LEU 15 HA LEU 15 6.779 8.086 5.111 100 1HB LEU 15 HB2 LEU 15 6.054 8.215 7.990 101 2HB LEU 15 HB1 LEU 15 5.811 9.380 6.700 102 HG LEU 15 HG LEU 15 4.228 6.852 7.161 103 1HD1 LEU 15 HD11 LEU 15 3.679 8.857 8.558 104 2HD1 LEU 15 HD12 LEU 15 2.364 8.346 7.500 105 3HD1 LEU 15 HD13 LEU 15 3.351 9.744 7.069 106 1HD2 LEU 15 HD21 LEU 15 4.842 7.655 4.701 107 2HD2 LEU 15 HD22 LEU 15 3.584 8.844 5.022 108 3HD2 LEU 15 HD23 LEU 15 3.213 7.124 5.099 109 H GLY 16 HN GLY 16 8.899 7.937 5.013 110 1HA GLY 16 HA2 GLY 16 11.072 8.311 6.074 111 2HA GLY 16 HA1 GLY 16 10.440 7.525 7.530 112 H LEU 17 HN LEU 17 9.177 5.779 5.102 113 HA LEU 17 HA LEU 17 11.249 3.686 5.269 114 1HB LEU 17 HB2 LEU 17 8.415 3.701 4.186 115 2HB LEU 17 HB1 LEU 17 9.489 2.310 4.114 116 HG LEU 17 HG LEU 17 8.121 3.533 6.467 117 1HD1 LEU 17 HD11 LEU 17 7.912 1.090 6.993 118 2HD1 LEU 17 HD12 LEU 17 8.831 0.736 5.529 119 3HD1 LEU 17 HD13 LEU 17 7.249 1.505 5.411 120 1HD2 LEU 17 HD21 LEU 17 10.804 2.150 6.488 121 2HD2 LEU 17 HD22 LEU 17 9.745 2.189 7.898 122 3HD2 LEU 17 HD23 LEU 17 10.375 3.693 7.225 123 H ARG 18 HN ARG 18 12.136 2.856 3.317 124 HA ARG 18 HA ARG 18 11.317 4.315 0.877 125 1HB ARG 18 HB2 ARG 18 13.837 4.604 0.364 126 2HB ARG 18 HB1 ARG 18 13.036 5.710 1.481 127 1HG ARG 18 HG2 ARG 18 14.115 4.860 3.332 128 2HG ARG 18 HG1 ARG 18 14.243 3.243 2.638 129 1HD ARG 18 HD2 ARG 18 15.745 5.140 1.050 130 2HD ARG 18 HD1 ARG 18 16.261 5.206 2.735 131 HE ARG 18 HE ARG 18 16.060 2.539 1.442 132 1HH1 ARG 18 HH11 ARG 18 17.424 3.403 4.106 133 2HH1 ARG 18 HH12 ARG 18 19.089 3.254 3.652 134 1HH2 ARG 18 HH21 ARG 18 18.421 3.089 0.253 135 2HH2 ARG 18 HH22 ARG 18 19.654 3.077 1.469 136 H CYS 19 HN CYS 19 11.740 3.168 -1.010 137 HA CYS 19 HA CYS 19 11.559 0.387 -0.925 138 1HB CYS 19 HB2 CYS 19 11.172 1.469 -2.999 139 2HB CYS 19 HB1 CYS 19 12.786 2.173 -3.028 140 HG CYS 19 HG CYS 19 13.399 0.148 -4.327 141 HA PRO 20 HA PRO 20 11.959 -1.391 -1.613 142 1HB PRO 20 HB2 PRO 20 12.799 -3.815 -0.677 143 2HB PRO 20 HB1 PRO 20 13.344 -3.145 -2.225 144 1HG PRO 20 HG2 PRO 20 14.838 -3.399 0.337 145 2HG PRO 20 HG1 PRO 20 15.461 -3.300 -1.315 146 1HD PRO 20 HD2 PRO 20 15.359 -1.193 0.608 147 2HD PRO 20 HD1 PRO 20 15.817 -1.056 -1.104 148 H GLU 21 HN GLU 21 13.040 -0.494 1.395 149 HA GLU 21 HA GLU 21 11.953 -2.242 3.256 150 1HB GLU 21 HB2 GLU 21 12.278 0.706 3.353 151 2HB GLU 21 HB1 GLU 21 11.681 -0.189 4.740 152 1HG GLU 21 HG2 GLU 21 13.909 -1.639 3.861 153 2HG GLU 21 HG1 GLU 21 14.402 0.051 3.736 154 HA PRO 22 HA PRO 22 7.749 -0.018 3.272 155 1HB PRO 22 HB2 PRO 22 7.148 1.348 0.959 156 2HB PRO 22 HB1 PRO 22 7.839 2.107 2.390 157 1HG PRO 22 HG2 PRO 22 9.167 1.391 -0.179 158 2HG PRO 22 HG1 PRO 22 9.555 2.694 0.959 159 1HD PRO 22 HD2 PRO 22 10.951 0.288 0.754 160 2HD PRO 22 HD1 PRO 22 11.000 1.356 2.164 161 H VAL 23 HN VAL 23 8.554 -0.484 -0.139 162 HA VAL 23 HA VAL 23 6.398 -2.105 -0.915 163 HB VAL 23 HB VAL 23 9.319 -2.432 -1.659 164 1HG1 VAL 23 HG11 VAL 23 8.378 -4.294 -2.632 165 2HG1 VAL 23 HG12 VAL 23 7.976 -3.116 -3.882 166 3HG1 VAL 23 HG13 VAL 23 6.767 -3.580 -2.685 167 1HG2 VAL 23 HG21 VAL 23 7.344 -0.362 -2.240 168 2HG2 VAL 23 HG22 VAL 23 7.963 -1.107 -3.714 169 3HG2 VAL 23 HG23 VAL 23 9.078 -0.372 -2.563 170 H MET 24 HN MET 24 9.132 -2.789 1.165 171 HA MET 24 HA MET 24 8.840 -5.692 1.065 172 1HB MET 24 HB2 MET 24 10.376 -3.756 2.779 173 2HB MET 24 HB1 MET 24 10.249 -5.449 3.257 174 1HG MET 24 HG2 MET 24 10.965 -4.931 0.418 175 2HG MET 24 HG1 MET 24 12.196 -4.545 1.619 176 1HE MET 24 HE1 MET 24 11.775 -8.350 -0.320 177 2HE MET 24 HE2 MET 24 11.900 -6.659 -0.797 178 3HE MET 24 HE3 MET 24 10.334 -7.323 -0.336 179 H MET 25 HN MET 25 7.772 -3.119 3.274 180 HA MET 25 HA MET 25 6.669 -4.801 5.278 181 1HB MET 25 HB2 MET 25 6.185 -1.985 4.373 182 2HB MET 25 HB1 MET 25 5.016 -2.724 5.467 183 1HG MET 25 HG2 MET 25 7.536 -3.407 6.513 184 2HG MET 25 HG1 MET 25 7.668 -1.710 6.052 185 1HE MET 25 HE1 MET 25 5.520 -4.371 7.952 186 2HE MET 25 HE2 MET 25 5.531 -3.577 9.526 187 3HE MET 25 HE3 MET 25 7.056 -3.960 8.729 188 H VAL 26 HN VAL 26 5.222 -3.456 2.306 189 HA VAL 26 HA VAL 26 2.635 -4.621 2.727 190 HB VAL 26 HB VAL 26 4.084 -3.923 0.161 191 1HG1 VAL 26 HG11 VAL 26 2.330 -4.740 -1.018 192 2HG1 VAL 26 HG12 VAL 26 1.170 -3.959 0.054 193 3HG1 VAL 26 HG13 VAL 26 1.814 -5.548 0.460 194 1HG2 VAL 26 HG21 VAL 26 2.284 -2.501 2.076 195 2HG2 VAL 26 HG22 VAL 26 2.122 -2.128 0.361 196 3HG2 VAL 26 HG23 VAL 26 3.669 -1.886 1.172 197 H ARG 27 HN ARG 27 5.659 -5.899 1.479 198 HA ARG 27 HA ARG 27 4.588 -8.265 0.251 199 1HB ARG 27 HB2 ARG 27 7.261 -7.448 1.284 200 2HB ARG 27 HB1 ARG 27 6.960 -9.180 1.082 201 1HG ARG 27 HG2 ARG 27 6.306 -7.214 -1.102 202 2HG ARG 27 HG1 ARG 27 7.921 -7.892 -0.938 203 1HD ARG 27 HD2 ARG 27 5.903 -9.966 -0.720 204 2HD ARG 27 HD1 ARG 27 5.744 -9.088 -2.239 205 HE ARG 27 HE ARG 27 8.385 -10.208 -1.408 206 1HH1 ARG 27 HH11 ARG 27 6.697 -12.232 -2.737 207 2HH1 ARG 27 HH12 ARG 27 7.069 -12.007 -4.414 208 1HH2 ARG 27 HH21 ARG 27 8.474 -8.870 -3.956 209 2HH2 ARG 27 HH22 ARG 27 8.074 -10.105 -5.103 210 H LYS 28 HN LYS 28 6.024 -7.804 3.455 211 HA LYS 28 HA LYS 28 5.477 -10.413 4.459 212 1HB LYS 28 HB2 LYS 28 5.616 -7.812 6.019 213 2HB LYS 28 HB1 LYS 28 5.799 -9.434 6.689 214 1HG LYS 28 HG2 LYS 28 7.695 -9.663 4.884 215 2HG LYS 28 HG1 LYS 28 7.675 -7.899 4.917 216 1HD LYS 28 HD2 LYS 28 7.623 -9.057 7.600 217 2HD LYS 28 HD1 LYS 28 9.056 -9.536 6.689 218 1HE LYS 28 HE2 LYS 28 9.928 -7.446 6.745 219 2HE LYS 28 HE1 LYS 28 8.374 -6.697 6.375 220 1HZ LYS 28 HZ1 LYS 28 9.482 -6.384 8.700 221 2HZ LYS 28 HZ2 LYS 28 8.771 -7.894 9.023 222 3HZ LYS 28 HZ3 LYS 28 7.801 -6.576 8.567 223 H THR 29 HN THR 29 3.665 -7.404 4.677 224 HA THR 29 HA THR 29 1.403 -8.377 6.126 225 HB THR 29 HB THR 29 2.129 -6.095 4.380 226 HG1 THR 29 HG1 THR 29 0.897 -5.175 6.360 227 1HG2 THR 29 HG21 THR 29 -0.115 -6.756 3.525 228 2HG2 THR 29 HG22 THR 29 -0.098 -5.166 4.285 229 3HG2 THR 29 HG23 THR 29 -0.755 -6.549 5.157 230 H VAL 30 HN VAL 30 2.360 -8.348 2.783 231 HA VAL 30 HA VAL 30 -0.152 -9.232 1.653 232 HB VAL 30 HB VAL 30 2.729 -9.125 0.752 233 1HG1 VAL 30 HG11 VAL 30 1.792 -9.893 -1.511 234 2HG1 VAL 30 HG12 VAL 30 0.437 -10.538 -0.584 235 3HG1 VAL 30 HG13 VAL 30 2.072 -11.129 -0.284 236 1HG2 VAL 30 HG21 VAL 30 0.449 -8.019 -0.824 237 2HG2 VAL 30 HG22 VAL 30 2.060 -7.352 -0.560 238 3HG2 VAL 30 HG23 VAL 30 0.833 -7.217 0.699 239 H ARG 31 HN ARG 31 2.624 -10.670 3.127 240 HA ARG 31 HA ARG 31 2.059 -13.415 2.345 241 1HB ARG 31 HB2 ARG 31 3.814 -12.243 4.523 242 2HB ARG 31 HB1 ARG 31 3.794 -13.947 4.060 243 1HG ARG 31 HG2 ARG 31 4.752 -13.517 1.954 244 2HG ARG 31 HG1 ARG 31 4.293 -11.819 1.985 245 1HD ARG 31 HD2 ARG 31 6.284 -11.287 2.875 246 2HD ARG 31 HD1 ARG 31 5.950 -12.328 4.257 247 HE ARG 31 HE ARG 31 6.768 -14.029 2.167 248 1HH1 ARG 31 HH11 ARG 31 8.179 -11.066 2.866 249 2HH1 ARG 31 HH12 ARG 31 9.740 -11.703 3.266 250 1HH2 ARG 31 HH21 ARG 31 8.705 -15.011 3.181 251 2HH2 ARG 31 HH22 ARG 31 10.037 -13.937 3.444 252 H ASN 32 HN ASN 32 1.237 -11.227 4.969 253 HA ASN 32 HA ASN 32 -0.109 -13.478 6.394 254 1HB ASN 32 HB2 ASN 32 -0.252 -12.006 8.314 255 2HB ASN 32 HB1 ASN 32 1.401 -11.965 7.707 256 1HD2 ASN 32 HD21 ASN 32 1.679 -9.800 8.674 257 2HD2 ASN 32 HD22 ASN 32 0.992 -8.433 7.940 258 H MET 33 HN MET 33 -0.822 -11.316 4.027 259 HA MET 33 HA MET 33 -3.517 -10.611 5.012 260 1HB MET 33 HB2 MET 33 -1.831 -9.835 2.670 261 2HB MET 33 HB1 MET 33 -3.582 -9.752 2.482 262 1HG MET 33 HG2 MET 33 -3.389 -8.551 4.861 263 2HG MET 33 HG1 MET 33 -1.792 -8.150 4.246 264 1HE MET 33 HE1 MET 33 -5.748 -7.327 2.077 265 2HE MET 33 HE2 MET 33 -5.707 -7.526 3.827 266 3HE MET 33 HE3 MET 33 -5.187 -8.848 2.784 267 H GLN 34 HN GLN 34 -5.240 -10.909 3.125 268 HA GLN 34 HA GLN 34 -4.966 -13.604 1.897 269 1HB GLN 34 HB2 GLN 34 -7.232 -12.659 3.678 270 2HB GLN 34 HB1 GLN 34 -7.341 -14.078 2.634 271 1HG GLN 34 HG2 GLN 34 -6.470 -15.237 4.370 272 2HG GLN 34 HG1 GLN 34 -4.939 -14.460 3.965 273 1HE2 GLN 34 HE21 GLN 34 -5.789 -15.198 6.684 274 2HE2 GLN 34 HE22 GLN 34 -5.891 -13.755 7.572 275 HA PRO 35 HA PRO 35 -6.766 -11.519 -1.495 276 1HB PRO 35 HB2 PRO 35 -8.016 -13.641 -2.746 277 2HB PRO 35 HB1 PRO 35 -6.275 -13.327 -2.817 278 1HG PRO 35 HG2 PRO 35 -7.753 -15.374 -1.213 279 2HG PRO 35 HG1 PRO 35 -6.107 -15.438 -1.868 280 1HD PRO 35 HD2 PRO 35 -6.744 -14.901 0.810 281 2HD PRO 35 HD1 PRO 35 -5.194 -14.507 0.033 282 H GLY 36 HN GLY 36 -8.424 -10.223 -1.249 283 1HA GLY 36 HA2 GLY 36 -10.864 -9.866 -1.467 284 2HA GLY 36 HA1 GLY 36 -11.081 -11.284 -0.429 285 H GLU 37 HN GLU 37 -8.424 -9.183 0.266 286 HA GLU 37 HA GLU 37 -9.954 -8.050 2.578 287 1HB GLU 37 HB2 GLU 37 -7.290 -9.385 2.416 288 2HB GLU 37 HB1 GLU 37 -7.469 -8.047 3.544 289 1HG GLU 37 HG2 GLU 37 -8.002 -10.154 4.672 290 2HG GLU 37 HG1 GLU 37 -9.457 -9.167 4.528 291 H THR 38 HN THR 38 -8.302 -6.177 3.532 292 HA THR 38 HA THR 38 -7.363 -4.586 1.200 293 HB THR 38 HB THR 38 -8.431 -2.594 2.618 294 HG1 THR 38 HG1 THR 38 -9.602 -3.417 4.146 295 1HG2 THR 38 HG21 THR 38 -9.024 -3.977 0.269 296 2HG2 THR 38 HG22 THR 38 -9.697 -2.424 0.762 297 3HG2 THR 38 HG23 THR 38 -10.558 -3.916 1.135 298 H LEU 39 HN LEU 39 -5.814 -2.970 1.730 299 HA LEU 39 HA LEU 39 -4.698 -2.989 4.494 300 1HB LEU 39 HB2 LEU 39 -3.378 -4.678 3.417 301 2HB LEU 39 HB1 LEU 39 -3.225 -3.719 1.947 302 HG LEU 39 HG LEU 39 -2.141 -1.970 3.659 303 1HD1 LEU 39 HD11 LEU 39 -2.193 -3.020 5.708 304 2HD1 LEU 39 HD12 LEU 39 -0.632 -3.590 5.122 305 3HD1 LEU 39 HD13 LEU 39 -2.051 -4.631 5.005 306 1HD2 LEU 39 HD21 LEU 39 -0.598 -4.382 2.676 307 2HD2 LEU 39 HD22 LEU 39 0.015 -2.746 2.914 308 3HD2 LEU 39 HD23 LEU 39 -1.132 -3.080 1.616 309 H LEU 40 HN LEU 40 -4.633 -0.810 4.987 310 HA LEU 40 HA LEU 40 -4.409 1.166 2.814 311 1HB LEU 40 HB2 LEU 40 -6.002 1.777 4.483 312 2HB LEU 40 HB1 LEU 40 -4.895 1.370 5.795 313 HG LEU 40 HG LEU 40 -3.394 3.215 5.061 314 1HD1 LEU 40 HD11 LEU 40 -5.567 4.350 3.367 315 2HD1 LEU 40 HD12 LEU 40 -4.607 3.046 2.668 316 3HD1 LEU 40 HD13 LEU 40 -3.818 4.525 3.217 317 1HD2 LEU 40 HD21 LEU 40 -4.662 4.097 6.748 318 2HD2 LEU 40 HD22 LEU 40 -6.178 3.574 6.014 319 3HD2 LEU 40 HD23 LEU 40 -5.381 5.039 5.441 320 H ILE 41 HN ILE 41 -2.576 2.476 2.536 321 HA ILE 41 HA ILE 41 -0.277 1.897 4.352 322 HB ILE 41 HB ILE 41 0.008 2.149 1.358 323 1HG1 ILE 41 HG12 ILE 41 -0.751 -0.242 3.035 324 2HG1 ILE 41 HG11 ILE 41 -1.384 0.266 1.478 325 1HG2 ILE 41 HG21 ILE 41 1.879 0.442 2.776 326 2HG2 ILE 41 HG22 ILE 41 1.809 2.035 3.520 327 3HG2 ILE 41 HG23 ILE 41 2.198 1.880 1.808 328 1HD1 ILE 41 HD11 ILE 41 0.054 -1.708 1.205 329 2HD1 ILE 41 HD12 ILE 41 1.392 -0.843 1.962 330 3HD1 ILE 41 HD13 ILE 41 0.765 -0.309 0.403 331 H ILE 42 HN ILE 42 1.319 3.591 4.443 332 HA ILE 42 HA ILE 42 0.518 6.135 3.150 333 HB ILE 42 HB ILE 42 1.813 6.002 5.873 334 1HG1 ILE 42 HG12 ILE 42 -1.048 5.614 5.104 335 2HG1 ILE 42 HG11 ILE 42 -0.155 4.953 6.473 336 1HG2 ILE 42 HG21 ILE 42 0.059 8.130 4.610 337 2HG2 ILE 42 HG22 ILE 42 1.808 8.103 4.419 338 3HG2 ILE 42 HG23 ILE 42 1.104 8.296 6.019 339 1HD1 ILE 42 HD11 ILE 42 -1.104 7.806 6.159 340 2HD1 ILE 42 HD12 ILE 42 -0.122 7.213 7.498 341 3HD1 ILE 42 HD13 ILE 42 -1.762 6.603 7.268 342 H ALA 43 HN ALA 43 2.447 7.503 2.854 343 HA ALA 43 HA ALA 43 5.057 6.297 3.257 344 1HB ALA 43 HB1 ALA 43 3.717 5.385 1.025 345 2HB ALA 43 HB2 ALA 43 5.470 5.400 1.215 346 3HB ALA 43 HB3 ALA 43 4.663 6.724 0.375 347 H ASP 44 HN ASP 44 6.463 7.940 3.418 348 HA ASP 44 HA ASP 44 5.623 10.530 2.227 349 1HB ASP 44 HB2 ASP 44 6.986 11.668 3.833 350 2HB ASP 44 HB1 ASP 44 6.024 10.507 4.734 351 H ASP 45 HN ASP 45 7.893 7.936 2.306 352 HA ASP 45 HA ASP 45 10.062 9.204 0.938 353 1HB ASP 45 HB2 ASP 45 10.526 7.115 1.804 354 2HB ASP 45 HB1 ASP 45 9.008 6.449 1.237 355 HA PRO 46 HA PRO 46 8.067 9.913 -2.940 356 1HB PRO 46 HB2 PRO 46 10.330 10.316 -4.447 357 2HB PRO 46 HB1 PRO 46 9.675 11.521 -3.324 358 1HG PRO 46 HG2 PRO 46 12.074 9.776 -3.023 359 2HG PRO 46 HG1 PRO 46 11.730 11.348 -2.282 360 1HD PRO 46 HD2 PRO 46 11.497 8.827 -1.014 361 2HD PRO 46 HD1 PRO 46 10.861 10.362 -0.404 362 H ALA 47 HN ALA 47 10.350 7.403 -2.423 363 HA ALA 47 HA ALA 47 9.901 6.160 -5.067 364 1HB ALA 47 HB1 ALA 47 11.780 4.938 -4.646 365 2HB ALA 47 HB2 ALA 47 11.315 4.619 -2.975 366 3HB ALA 47 HB3 ALA 47 12.065 6.157 -3.403 367 H THR 48 HN THR 48 8.198 6.246 -2.211 368 HA THR 48 HA THR 48 7.419 3.403 -2.212 369 HB THR 48 HB THR 48 5.647 4.456 -0.534 370 HG1 THR 48 HG1 THR 48 7.716 6.307 -0.209 371 1HG2 THR 48 HG21 THR 48 7.586 2.939 -0.031 372 2HG2 THR 48 HG22 THR 48 7.212 4.084 1.256 373 3HG2 THR 48 HG23 THR 48 8.583 4.376 0.185 374 H THR 49 HN THR 49 5.954 6.547 -3.020 375 HA THR 49 HA THR 49 3.367 5.632 -3.701 376 HB THR 49 HB THR 49 3.045 7.674 -4.740 377 HG1 THR 49 HG1 THR 49 4.277 7.309 -6.536 378 1HG2 THR 49 HG21 THR 49 5.672 8.632 -3.769 379 2HG2 THR 49 HG22 THR 49 4.662 7.818 -2.573 380 3HG2 THR 49 HG23 THR 49 4.052 9.237 -3.424 381 H ARG 50 HN ARG 50 6.416 5.396 -5.397 382 HA ARG 50 HA ARG 50 5.044 4.292 -7.788 383 1HB ARG 50 HB2 ARG 50 7.886 5.100 -7.205 384 2HB ARG 50 HB1 ARG 50 7.438 4.250 -8.683 385 1HG ARG 50 HG2 ARG 50 5.570 6.160 -8.770 386 2HG ARG 50 HG1 ARG 50 6.774 7.031 -7.821 387 1HD ARG 50 HD2 ARG 50 7.891 7.478 -9.721 388 2HD ARG 50 HD1 ARG 50 8.188 5.750 -9.912 389 HE ARG 50 HE ARG 50 5.546 6.433 -10.845 390 1HH1 ARG 50 HH21 ARG 50 7.185 8.518 -12.205 391 2HH1 ARG 50 HH22 ARG 50 7.702 7.704 -13.644 392 1HH2 ARG 50 HH11 ARG 50 6.951 4.539 -12.440 393 2HH2 ARG 50 HH12 ARG 50 7.570 5.451 -13.776 394 H ASP 51 HN ASP 51 7.318 3.222 -5.297 395 HA ASP 51 HA ASP 51 7.558 0.591 -6.580 396 1HB ASP 51 HB2 ASP 51 8.707 1.732 -4.023 397 2HB ASP 51 HB1 ASP 51 9.060 0.109 -4.625 398 H ILE 52 HN ILE 52 6.208 1.782 -3.482 399 HA ILE 52 HA ILE 52 5.520 -0.748 -2.458 400 HB ILE 52 HB ILE 52 4.534 2.019 -2.019 401 1HG1 ILE 52 HG12 ILE 52 5.613 -0.254 -0.352 402 2HG1 ILE 52 HG11 ILE 52 6.387 1.286 -0.723 403 1HG2 ILE 52 HG21 ILE 52 2.754 1.258 -0.492 404 2HG2 ILE 52 HG22 ILE 52 3.058 -0.415 -0.961 405 3HG2 ILE 52 HG23 ILE 52 2.416 0.728 -2.141 406 1HD1 ILE 52 HD11 ILE 52 3.823 1.027 0.869 407 2HD1 ILE 52 HD12 ILE 52 4.771 2.492 0.619 408 3HD1 ILE 52 HD13 ILE 52 5.422 1.177 1.596 409 HA PRO 53 HA PRO 53 1.374 -0.537 -4.706 410 1HB PRO 53 HB2 PRO 53 1.186 1.258 -6.773 411 2HB PRO 53 HB1 PRO 53 0.632 1.566 -5.117 412 1HG PRO 53 HG2 PRO 53 3.043 2.607 -6.529 413 2HG PRO 53 HG1 PRO 53 2.147 3.319 -5.177 414 1HD PRO 53 HD2 PRO 53 4.600 1.939 -4.986 415 2HD PRO 53 HD1 PRO 53 3.528 2.340 -3.627 416 H GLY 54 HN GLY 54 3.956 0.544 -6.947 417 1HA GLY 54 HA2 GLY 54 3.315 -1.161 -9.084 418 2HA GLY 54 HA1 GLY 54 4.979 -0.702 -8.679 419 H PHE 55 HN PHE 55 4.560 -1.899 -5.913 420 HA PHE 55 HA PHE 55 5.428 -4.593 -6.640 421 1HB PHE 55 HB2 PHE 55 6.542 -3.951 -4.727 422 2HB PHE 55 HB1 PHE 55 5.190 -2.992 -4.130 423 HD1 PHE 55 HD1 PHE 55 5.285 -6.572 -5.228 424 HD2 PHE 55 HD2 PHE 55 4.727 -3.821 -1.985 425 HE1 PHE 55 HE1 PHE 55 4.555 -8.433 -3.778 426 HE2 PHE 55 HE2 PHE 55 3.996 -5.689 -0.542 427 HZ PHE 55 HZ PHE 55 3.901 -7.996 -1.435 428 H CYS 56 HN CYS 56 2.613 -3.277 -4.798 429 HA CYS 56 HA CYS 56 1.306 -5.759 -4.443 430 1HB CYS 56 HB2 CYS 56 0.311 -2.936 -4.736 431 2HB CYS 56 HB1 CYS 56 -0.819 -4.275 -4.526 432 HG CYS 56 HG CYS 56 -0.122 -4.515 -2.147 433 H THR 57 HN THR 57 1.306 -3.605 -7.249 434 HA THR 57 HA THR 57 -0.751 -5.006 -8.686 435 HB THR 57 HB THR 57 1.594 -3.484 -9.848 436 HG1 THR 57 HG1 THR 57 0.563 -2.144 -8.427 437 1HG2 THR 57 HG21 THR 57 -1.194 -4.074 -10.879 438 2HG2 THR 57 HG22 THR 57 0.301 -4.800 -11.469 439 3HG2 THR 57 HG23 THR 57 0.005 -3.077 -11.701 440 H PHE 58 HN PHE 58 2.713 -5.507 -8.355 441 HA PHE 58 HA PHE 58 2.905 -7.439 -10.507 442 1HB PHE 58 HB2 PHE 58 4.760 -6.007 -9.283 443 2HB PHE 58 HB1 PHE 58 4.841 -7.418 -8.225 444 HD1 PHE 58 HD1 PHE 58 6.014 -6.009 -11.257 445 HD2 PHE 58 HD2 PHE 58 4.916 -9.753 -9.459 446 HE1 PHE 58 HE1 PHE 58 7.347 -7.220 -12.964 447 HE2 PHE 58 HE2 PHE 58 6.248 -10.963 -11.166 448 HZ PHE 58 HZ PHE 58 7.464 -9.697 -12.918 449 H MET 59 HN MET 59 2.168 -7.699 -7.052 450 HA MET 59 HA MET 59 2.483 -10.617 -7.155 451 1HB MET 59 HB2 MET 59 1.990 -8.637 -5.040 452 2HB MET 59 HB1 MET 59 1.373 -10.258 -4.757 453 1HG MET 59 HG2 MET 59 4.233 -9.550 -5.476 454 2HG MET 59 HG1 MET 59 3.663 -10.037 -3.881 455 1HE MET 59 HE1 MET 59 5.647 -11.847 -6.801 456 2HE MET 59 HE2 MET 59 4.504 -10.584 -7.247 457 3HE MET 59 HE3 MET 59 4.191 -12.252 -7.720 458 H GLU 60 HN GLU 60 0.169 -8.738 -8.378 459 HA GLU 60 HA GLU 60 -1.946 -9.422 -9.207 460 1HB GLU 60 HB2 GLU 60 -1.058 -11.806 -8.656 461 2HB GLU 60 HB1 GLU 60 -2.040 -11.659 -7.198 462 1HG GLU 60 HG2 GLU 60 -4.049 -11.364 -8.469 463 2HG GLU 60 HG1 GLU 60 -3.145 -11.150 -9.969 464 H HIS 61 HN HIS 61 -1.291 -7.774 -6.754 465 HA HIS 61 HA HIS 61 -3.773 -8.077 -5.180 466 1HB HIS 61 HB2 HIS 61 -1.475 -6.129 -4.816 467 2HB HIS 61 HB1 HIS 61 -2.743 -6.501 -3.655 468 HD1 HIS 61 HD1 HIS 61 -2.271 -9.649 -4.925 469 HD2 HIS 61 HD2 HIS 61 0.187 -7.258 -2.558 470 HE1 HIS 61 HE1 HIS 61 -0.628 -11.205 -3.806 471 H GLU 62 HN GLU 62 -4.820 -5.778 -4.676 472 HA GLU 62 HA GLU 62 -4.865 -4.277 -7.266 473 1HB GLU 62 HB2 GLU 62 -7.050 -5.304 -5.546 474 2HB GLU 62 HB1 GLU 62 -7.305 -3.750 -6.320 475 1HG GLU 62 HG2 GLU 62 -7.719 -4.771 -8.288 476 2HG GLU 62 HG1 GLU 62 -6.149 -5.574 -8.223 477 H LEU 63 HN LEU 63 -4.866 -2.101 -7.160 478 HA LEU 63 HA LEU 63 -4.261 -0.829 -4.564 479 1HB LEU 63 HB2 LEU 63 -2.929 0.146 -6.236 480 2HB LEU 63 HB1 LEU 63 -4.186 -0.002 -7.460 481 HG LEU 63 HG LEU 63 -5.483 1.770 -6.127 482 1HD1 LEU 63 HD11 LEU 63 -3.290 1.381 -4.367 483 2HD1 LEU 63 HD12 LEU 63 -4.601 2.549 -4.210 484 3HD1 LEU 63 HD13 LEU 63 -3.117 2.998 -5.048 485 1HD2 LEU 63 HD21 LEU 63 -4.667 3.269 -7.617 486 2HD2 LEU 63 HD22 LEU 63 -3.615 1.958 -8.151 487 3HD2 LEU 63 HD23 LEU 63 -3.027 3.138 -6.979 488 H VAL 64 HN VAL 64 -6.209 -0.747 -3.370 489 HA VAL 64 HA VAL 64 -8.715 -0.423 -4.688 490 HB VAL 64 HB VAL 64 -7.825 -0.292 -1.808 491 1HG1 VAL 64 HG11 VAL 64 -9.834 0.985 -1.920 492 2HG1 VAL 64 HG12 VAL 64 -10.311 -0.637 -1.412 493 3HG1 VAL 64 HG13 VAL 64 -10.547 -0.131 -3.083 494 1HG2 VAL 64 HG21 VAL 64 -9.655 -2.384 -2.726 495 2HG2 VAL 64 HG22 VAL 64 -8.148 -2.528 -1.823 496 3HG2 VAL 64 HG23 VAL 64 -8.114 -2.400 -3.582 497 H ALA 65 HN ALA 65 -6.738 1.917 -2.724 498 HA ALA 65 HA ALA 65 -8.037 4.046 -4.355 499 1HB ALA 65 HB1 ALA 65 -8.676 3.502 -1.554 500 2HB ALA 65 HB2 ALA 65 -9.515 4.527 -2.719 501 3HB ALA 65 HB3 ALA 65 -8.138 5.160 -1.818 502 H LYS 66 HN LYS 66 -6.482 5.627 -4.868 503 HA LYS 66 HA LYS 66 -3.956 5.453 -3.358 504 1HB LYS 66 HB2 LYS 66 -4.337 7.196 -5.733 505 2HB LYS 66 HB1 LYS 66 -2.904 6.304 -5.224 506 1HG LYS 66 HG2 LYS 66 -3.584 4.933 -6.878 507 2HG LYS 66 HG1 LYS 66 -4.571 4.254 -5.613 508 1HD LYS 66 HD2 LYS 66 -6.349 4.675 -6.941 509 2HD LYS 66 HD1 LYS 66 -6.083 6.381 -6.583 510 1HE LYS 66 HE2 LYS 66 -4.555 6.544 -8.523 511 2HE LYS 66 HE1 LYS 66 -4.850 4.844 -8.890 512 1HZ LYS 66 HZ1 LYS 66 -7.204 5.357 -9.152 513 2HZ LYS 66 HZ2 LYS 66 -6.255 6.269 -10.226 514 3HZ LYS 66 HZ3 LYS 66 -6.899 6.994 -8.830 515 H GLU 67 HN GLU 67 -2.866 7.418 -2.813 516 HA GLU 67 HA GLU 67 -4.601 9.785 -2.413 517 1HB GLU 67 HB2 GLU 67 -3.295 8.121 -0.372 518 2HB GLU 67 HB1 GLU 67 -3.262 9.841 -0.115 519 1HG GLU 67 HG2 GLU 67 -5.841 8.532 -0.888 520 2HG GLU 67 HG1 GLU 67 -5.291 8.420 0.783 521 H THR 68 HN THR 68 -3.523 11.335 -3.536 522 HA THR 68 HA THR 68 -0.602 11.681 -3.003 523 HB THR 68 HB THR 68 -0.154 12.075 -5.347 524 HG1 THR 68 HG1 THR 68 -1.721 12.286 -6.804 525 1HG2 THR 68 HG21 THR 68 -1.813 9.589 -4.872 526 2HG2 THR 68 HG22 THR 68 -0.059 9.742 -4.778 527 3HG2 THR 68 HG23 THR 68 -0.871 9.859 -6.338 528 H ASP 69 HN ASP 69 -3.006 12.987 -1.956 529 HA ASP 69 HA ASP 69 -3.246 15.558 -3.321 530 1HB ASP 69 HB2 ASP 69 -4.149 14.732 -0.557 531 2HB ASP 69 HB1 ASP 69 -4.673 16.179 -1.419 532 H GLY 70 HN GLY 70 -0.768 14.349 -1.705 533 1HA GLY 70 HA2 GLY 70 1.053 16.102 -1.432 534 2HA GLY 70 HA1 GLY 70 -0.063 16.835 -0.310 535 H LEU 71 HN LEU 71 2.540 15.167 -0.349 536 HA LEU 71 HA LEU 71 2.538 12.857 1.037 537 1HB LEU 71 HB2 LEU 71 4.230 15.258 1.753 538 2HB LEU 71 HB1 LEU 71 4.546 13.619 2.281 539 HG LEU 71 HG LEU 71 4.153 14.028 -0.610 540 1HD1 LEU 71 HD11 LEU 71 6.881 14.496 0.531 541 2HD1 LEU 71 HD12 LEU 71 5.750 15.847 0.453 542 3HD1 LEU 71 HD13 LEU 71 6.225 15.007 -1.024 543 1HD2 LEU 71 HD21 LEU 71 4.548 11.796 0.130 544 2HD2 LEU 71 HD22 LEU 71 5.863 12.310 1.185 545 3HD2 LEU 71 HD23 LEU 71 6.075 12.340 -0.565 546 HA PRO 72 HA PRO 72 3.390 11.816 2.478 547 1HB PRO 72 HB2 PRO 72 2.370 9.821 4.024 548 2HB PRO 72 HB1 PRO 72 3.614 10.939 4.614 549 1HG PRO 72 HG2 PRO 72 0.703 10.868 5.217 550 2HG PRO 72 HG1 PRO 72 2.032 11.434 6.245 551 1HD PRO 72 HD2 PRO 72 0.269 13.087 4.782 552 2HD PRO 72 HD1 PRO 72 1.831 13.598 5.460 553 H TYR 73 HN TYR 73 2.814 10.206 0.988 554 HA TYR 73 HA TYR 73 0.213 10.309 -0.216 555 1HB TYR 73 HB2 TYR 73 2.102 8.061 -0.637 556 2HB TYR 73 HB1 TYR 73 1.007 8.798 -1.797 557 HD1 TYR 73 HD1 TYR 73 4.260 8.696 -0.452 558 HD2 TYR 73 HD2 TYR 73 1.516 11.228 -2.521 559 HE1 TYR 73 HE1 TYR 73 6.169 10.032 -1.289 560 HE2 TYR 73 HE2 TYR 73 3.389 12.620 -3.337 561 HH TYR 73 HH TYR 73 6.644 11.596 -3.149 562 H ARG 74 HN ARG 74 -1.152 8.301 -0.545 563 HA ARG 74 HA ARG 74 -0.740 6.187 1.416 564 1HB ARG 74 HB2 ARG 74 -3.045 8.097 1.487 565 2HB ARG 74 HB1 ARG 74 -3.281 6.404 1.940 566 1HG ARG 74 HG2 ARG 74 -1.968 6.546 3.775 567 2HG ARG 74 HG1 ARG 74 -0.930 7.764 3.079 568 1HD ARG 74 HD2 ARG 74 -3.322 9.103 3.240 569 2HD ARG 74 HD1 ARG 74 -3.382 8.085 4.678 570 HE ARG 74 HE ARG 74 -0.927 9.690 4.213 571 1HH1 ARG 74 HH11 ARG 74 -4.021 10.209 5.365 572 2HH1 ARG 74 HH12 ARG 74 -3.545 10.698 6.957 573 1HH2 ARG 74 HH21 ARG 74 -0.218 9.824 6.517 574 2HH2 ARG 74 HH22 ARG 74 -1.392 10.480 7.609 575 H TYR 75 HN TYR 75 -1.887 4.310 0.830 576 HA TYR 75 HA TYR 75 -3.410 4.396 -1.661 577 1HB TYR 75 HB2 TYR 75 -1.213 2.425 -1.647 578 2HB TYR 75 HB1 TYR 75 -1.988 3.237 -3.008 579 HD1 TYR 75 HD1 TYR 75 -1.506 5.804 -3.253 580 HD2 TYR 75 HD2 TYR 75 0.757 3.140 -0.842 581 HE1 TYR 75 HE1 TYR 75 0.414 7.370 -3.372 582 HE2 TYR 75 HE2 TYR 75 2.708 4.692 -0.922 583 HH TYR 75 HH TYR 75 3.481 6.618 -1.704 584 H LEU 76 HN LEU 76 -5.080 2.945 -1.347 585 HA LEU 76 HA LEU 76 -4.733 1.031 0.770 586 1HB LEU 76 HB2 LEU 76 -6.914 2.140 0.578 587 2HB LEU 76 HB1 LEU 76 -7.113 1.482 -1.029 588 HG LEU 76 HG LEU 76 -6.720 -0.803 0.048 589 1HD1 LEU 76 HD11 LEU 76 -7.391 0.821 2.508 590 2HD1 LEU 76 HD12 LEU 76 -5.833 0.068 2.174 591 3HD1 LEU 76 HD13 LEU 76 -7.260 -0.936 2.436 592 1HD2 LEU 76 HD21 LEU 76 -8.898 -0.925 -0.297 593 2HD2 LEU 76 HD22 LEU 76 -8.983 0.837 -0.284 594 3HD2 LEU 76 HD23 LEU 76 -9.206 -0.069 1.212 595 H ILE 77 HN ILE 77 -4.929 -1.340 0.213 596 HA ILE 77 HA ILE 77 -4.909 -1.880 -2.675 597 HB ILE 77 HB ILE 77 -2.799 -2.950 -0.798 598 1HG1 ILE 77 HG12 ILE 77 -2.873 -0.525 -2.585 599 2HG1 ILE 77 HG11 ILE 77 -2.340 -0.640 -0.911 600 1HG2 ILE 77 HG21 ILE 77 -2.394 -2.811 -3.735 601 2HG2 ILE 77 HG22 ILE 77 -3.624 -3.954 -3.194 602 3HG2 ILE 77 HG23 ILE 77 -1.971 -4.095 -2.603 603 1HD1 ILE 77 HD11 ILE 77 -0.912 -1.996 -3.212 604 2HD1 ILE 77 HD12 ILE 77 -0.349 -1.838 -1.548 605 3HD1 ILE 77 HD13 ILE 77 -0.463 -0.413 -2.579 606 H ARG 78 HN ARG 78 -6.661 -3.241 -2.793 607 HA ARG 78 HA ARG 78 -7.354 -5.016 -0.598 608 1HB ARG 78 HB2 ARG 78 -9.161 -4.337 -1.990 609 2HB ARG 78 HB1 ARG 78 -8.289 -4.764 -3.461 610 1HG ARG 78 HG2 ARG 78 -8.374 -7.158 -2.790 611 2HG ARG 78 HG1 ARG 78 -9.315 -6.705 -1.369 612 1HD ARG 78 HD2 ARG 78 -10.145 -6.142 -4.229 613 2HD ARG 78 HD1 ARG 78 -10.753 -7.479 -3.253 614 HE ARG 78 HE ARG 78 -11.154 -4.623 -2.453 615 1HH1 ARG 78 HH11 ARG 78 -11.836 -7.695 -1.447 616 2HH1 ARG 78 HH12 ARG 78 -13.558 -7.522 -1.420 617 1HH2 ARG 78 HH21 ARG 78 -13.542 -4.460 -3.047 618 2HH2 ARG 78 HH22 ARG 78 -14.525 -5.690 -2.325 619 H LYS 79 HN LYS 79 -5.946 -6.653 -0.104 620 HA LYS 79 HA LYS 79 -4.064 -7.876 -1.822 621 1HB LYS 79 HB2 LYS 79 -4.388 -8.124 0.752 622 2HB LYS 79 HB1 LYS 79 -5.501 -9.419 0.333 623 1HG LYS 79 HG2 LYS 79 -3.152 -10.215 0.749 624 2HG LYS 79 HG1 LYS 79 -3.777 -10.632 -0.843 625 1HD LYS 79 HD2 LYS 79 -1.428 -9.758 -0.889 626 2HD LYS 79 HD1 LYS 79 -2.539 -8.812 -1.870 627 1HE LYS 79 HE2 LYS 79 -2.716 -7.584 0.604 628 2HE LYS 79 HE1 LYS 79 -1.019 -8.030 0.515 629 1HZ LYS 79 HZ1 LYS 79 -2.010 -6.957 -1.944 630 2HZ LYS 79 HZ2 LYS 79 -0.642 -6.511 -1.039 631 3HZ LYS 79 HZ3 LYS 79 -2.165 -5.861 -0.658 632 H GLY 80 HN GLY 80 -4.229 -9.632 -3.250 633 1HA GLY 80 HA2 GLY 80 -6.543 -11.343 -3.401 634 2HA GLY 80 HA1 GLY 80 -6.623 -10.088 -4.637 635 H GLY 81 HN GLY 81 -6.478 -12.241 -5.941 636 1HA GLY 81 HA2 GLY 81 -5.090 -13.134 -7.671 637 2HA GLY 81 HA1 GLY 81 -3.677 -12.492 -6.833 Start of MODEL 4 1 1H MET 1 HT1 MET 1 -22.238 7.442 -0.608 2 2H MET 1 HT2 MET 1 -22.658 9.019 -0.132 3 3H MET 1 HT3 MET 1 -22.586 7.771 1.019 4 HA MET 1 HA MET 1 -20.282 8.860 -0.507 5 1HB MET 1 HB2 MET 1 -21.332 9.266 2.289 6 2HB MET 1 HB1 MET 1 -19.615 9.461 1.936 7 1HG MET 1 HG2 MET 1 -19.976 11.281 0.517 8 2HG MET 1 HG1 MET 1 -21.652 10.831 0.203 9 1HE MET 1 HE1 MET 1 -22.139 12.941 0.218 10 2HE MET 1 HE2 MET 1 -21.758 14.183 1.408 11 3HE MET 1 HE3 MET 1 -23.275 13.295 1.526 12 H THR 2 HN THR 2 -19.197 6.975 -1.012 13 HA THR 2 HA THR 2 -18.828 4.986 1.189 14 HB THR 2 HB THR 2 -18.647 4.703 -1.822 15 HG1 THR 2 HG1 THR 2 -20.160 3.078 -0.146 16 1HG2 THR 2 HG21 THR 2 -17.616 2.995 0.402 17 2HG2 THR 2 HG22 THR 2 -16.954 3.255 -1.212 18 3HG2 THR 2 HG23 THR 2 -18.343 2.192 -0.989 19 H ASP 3 HN ASP 3 -16.852 5.032 2.135 20 HA ASP 3 HA ASP 3 -14.628 6.396 0.716 21 1HB ASP 3 HB2 ASP 3 -14.664 5.380 3.569 22 2HB ASP 3 HB1 ASP 3 -13.556 6.556 2.862 23 H LEU 4 HN LEU 4 -12.994 5.227 -0.178 24 HA LEU 4 HA LEU 4 -13.062 2.307 0.002 25 1HB LEU 4 HB2 LEU 4 -11.448 4.326 -1.530 26 2HB LEU 4 HB1 LEU 4 -10.872 2.663 -1.419 27 HG LEU 4 HG LEU 4 -13.652 3.441 -2.343 28 1HD1 LEU 4 HD11 LEU 4 -12.843 2.878 -4.601 29 2HD1 LEU 4 HD12 LEU 4 -11.228 2.588 -3.956 30 3HD1 LEU 4 HD13 LEU 4 -11.912 4.214 -3.923 31 1HD2 LEU 4 HD21 LEU 4 -12.514 0.845 -3.106 32 2HD2 LEU 4 HD22 LEU 4 -14.094 1.217 -2.418 33 3HD2 LEU 4 HD23 LEU 4 -12.694 1.034 -1.362 34 H PHE 5 HN PHE 5 -11.196 4.931 1.398 35 HA PHE 5 HA PHE 5 -9.150 3.103 2.453 36 1HB PHE 5 HB2 PHE 5 -9.619 6.050 2.461 37 2HB PHE 5 HB1 PHE 5 -8.634 5.374 3.759 38 HD1 PHE 5 HD1 PHE 5 -6.670 6.610 2.849 39 HD2 PHE 5 HD2 PHE 5 -8.706 3.609 0.565 40 HE1 PHE 5 HE1 PHE 5 -4.751 6.439 1.299 41 HE2 PHE 5 HE2 PHE 5 -6.754 3.464 -0.954 42 HZ PHE 5 HZ PHE 5 -4.782 4.930 -0.613 43 H SER 6 HN SER 6 -12.196 3.198 3.229 44 HA SER 6 HA SER 6 -12.559 3.973 5.885 45 1HB SER 6 HB2 SER 6 -13.551 1.452 4.519 46 2HB SER 6 HB1 SER 6 -14.155 2.045 6.063 47 HG SER 6 HG SER 6 -15.163 2.684 3.864 48 H SER 7 HN SER 7 -12.696 2.245 7.791 49 HA SER 7 HA SER 7 -10.135 1.555 8.608 50 1HB SER 7 HB2 SER 7 -12.769 1.006 9.486 51 2HB SER 7 HB1 SER 7 -11.856 -0.493 9.540 52 HG SER 7 HG SER 7 -10.380 0.458 10.864 53 HA PRO 8 HA PRO 8 -9.489 -1.603 5.450 54 1HB PRO 8 HB2 PRO 8 -6.750 -1.518 5.631 55 2HB PRO 8 HB1 PRO 8 -7.706 -0.394 4.654 56 1HG PRO 8 HG2 PRO 8 -6.357 0.081 7.274 57 2HG PRO 8 HG1 PRO 8 -6.732 1.231 5.981 58 1HD PRO 8 HD2 PRO 8 -8.186 0.928 8.379 59 2HD PRO 8 HD1 PRO 8 -8.744 1.786 6.930 60 H ASP 9 HN ASP 9 -8.345 -3.743 5.549 61 HA ASP 9 HA ASP 9 -8.679 -4.949 8.184 62 1HB ASP 9 HB2 ASP 9 -7.618 -6.081 5.575 63 2HB ASP 9 HB1 ASP 9 -7.946 -7.033 7.023 64 H HIS 10 HN HIS 10 -6.055 -3.628 6.328 65 HA HIS 10 HA HIS 10 -4.216 -4.247 8.575 66 1HB HIS 10 HB2 HIS 10 -3.887 -5.060 5.695 67 2HB HIS 10 HB1 HIS 10 -2.475 -4.739 6.695 68 HD1 HIS 10 HD1 HIS 10 -1.672 -6.685 8.050 69 HD2 HIS 10 HD2 HIS 10 -5.698 -7.062 7.035 70 HE1 HIS 10 HE1 HIS 10 -2.419 -8.945 8.915 71 H THR 11 HN THR 11 -2.073 -2.958 8.167 72 HA THR 11 HA THR 11 -2.510 -0.529 6.526 73 HB THR 11 HB THR 11 -1.790 -0.444 9.456 74 HG1 THR 11 HG1 THR 11 -3.899 -0.699 9.534 75 1HG2 THR 11 HG21 THR 11 -0.780 1.450 8.587 76 2HG2 THR 11 HG22 THR 11 -2.401 2.077 8.884 77 3HG2 THR 11 HG23 THR 11 -1.933 1.578 7.258 78 H LEU 12 HN LEU 12 -0.465 0.718 6.317 79 HA LEU 12 HA LEU 12 2.000 -0.724 7.122 80 1HB LEU 12 HB2 LEU 12 1.699 -1.693 4.964 81 2HB LEU 12 HB1 LEU 12 1.188 -0.156 4.275 82 HG LEU 12 HG LEU 12 3.410 0.737 4.275 83 1HD1 LEU 12 HD11 LEU 12 5.219 -0.765 5.499 84 2HD1 LEU 12 HD12 LEU 12 3.830 -1.325 6.429 85 3HD1 LEU 12 HD13 LEU 12 4.253 0.386 6.420 86 1HD2 LEU 12 HD21 LEU 12 3.290 -2.190 3.616 87 2HD2 LEU 12 HD22 LEU 12 4.844 -1.362 3.556 88 3HD2 LEU 12 HD23 LEU 12 3.513 -0.807 2.546 89 H ASP 13 HN ASP 13 2.972 0.939 8.222 90 HA ASP 13 HA ASP 13 2.717 3.713 7.338 91 1HB ASP 13 HB2 ASP 13 3.138 2.939 9.750 92 2HB ASP 13 HB1 ASP 13 4.793 2.594 9.247 93 H ALA 14 HN ALA 14 4.115 4.744 5.882 94 HA ALA 14 HA ALA 14 6.680 3.367 5.314 95 1HB ALA 14 HB1 ALA 14 4.703 2.846 3.647 96 2HB ALA 14 HB2 ALA 14 6.348 3.100 3.067 97 3HB ALA 14 HB3 ALA 14 5.168 4.408 2.973 98 H LEU 15 HN LEU 15 5.442 5.756 6.599 99 HA LEU 15 HA LEU 15 6.562 8.074 5.279 100 1HB LEU 15 HB2 LEU 15 5.739 7.830 8.165 101 2HB LEU 15 HB1 LEU 15 5.762 9.239 7.128 102 HG LEU 15 HG LEU 15 4.014 6.905 6.460 103 1HD1 LEU 15 HD11 LEU 15 3.774 8.543 8.778 104 2HD1 LEU 15 HD12 LEU 15 2.610 7.374 8.156 105 3HD1 LEU 15 HD13 LEU 15 2.529 9.059 7.641 106 1HD2 LEU 15 HD21 LEU 15 4.480 9.672 5.541 107 2HD2 LEU 15 HD22 LEU 15 2.786 9.209 5.676 108 3HD2 LEU 15 HD23 LEU 15 3.875 8.276 4.648 109 H GLY 16 HN GLY 16 8.699 7.963 5.138 110 1HA GLY 16 HA2 GLY 16 10.880 8.340 6.167 111 2HA GLY 16 HA1 GLY 16 10.280 7.532 7.624 112 H LEU 17 HN LEU 17 9.000 5.734 5.271 113 HA LEU 17 HA LEU 17 11.129 3.702 5.383 114 1HB LEU 17 HB2 LEU 17 8.292 3.654 4.308 115 2HB LEU 17 HB1 LEU 17 9.399 2.289 4.225 116 HG LEU 17 HG LEU 17 7.971 3.438 6.569 117 1HD1 LEU 17 HD11 LEU 17 8.958 0.633 6.046 118 2HD1 LEU 17 HD12 LEU 17 7.516 1.257 5.246 119 3HD1 LEU 17 HD13 LEU 17 7.567 1.138 7.005 120 1HD2 LEU 17 HD21 LEU 17 9.690 2.146 7.992 121 2HD2 LEU 17 HD22 LEU 17 10.137 3.755 7.424 122 3HD2 LEU 17 HD23 LEU 17 10.763 2.324 6.604 123 H ARG 18 HN ARG 18 12.060 2.927 3.444 124 HA ARG 18 HA ARG 18 11.201 4.359 1.001 125 1HB ARG 18 HB2 ARG 18 13.699 4.754 0.498 126 2HB ARG 18 HB1 ARG 18 12.870 5.809 1.646 127 1HG ARG 18 HG2 ARG 18 14.167 5.129 3.372 128 2HG ARG 18 HG1 ARG 18 13.991 3.431 2.926 129 1HD ARG 18 HD2 ARG 18 16.096 3.454 2.135 130 2HD ARG 18 HD1 ARG 18 15.598 4.635 0.923 131 HE ARG 18 HE ARG 18 16.552 5.452 3.639 132 1HH1 ARG 18 HH21 ARG 18 18.680 5.309 1.597 133 2HH1 ARG 18 HH22 ARG 18 18.672 6.901 0.915 134 1HH2 ARG 18 HH11 ARG 18 15.539 7.707 2.167 135 2HH2 ARG 18 HH12 ARG 18 16.893 8.259 1.238 136 H CYS 19 HN CYS 19 11.701 3.247 -0.890 137 HA CYS 19 HA CYS 19 11.590 0.462 -0.824 138 1HB CYS 19 HB2 CYS 19 11.215 1.540 -2.901 139 2HB CYS 19 HB1 CYS 19 12.807 2.292 -2.896 140 HG CYS 19 HG CYS 19 13.666 0.267 -4.027 141 HA PRO 20 HA PRO 20 12.050 -1.300 -1.513 142 1HB PRO 20 HB2 PRO 20 12.927 -3.706 -0.564 143 2HB PRO 20 HB1 PRO 20 13.487 -3.021 -2.100 144 1HG PRO 20 HG2 PRO 20 14.936 -3.246 0.490 145 2HG PRO 20 HG1 PRO 20 15.589 -3.125 -1.148 146 1HD PRO 20 HD2 PRO 20 15.395 -1.028 0.780 147 2HD PRO 20 HD1 PRO 20 15.886 -0.873 -0.921 148 H GLU 21 HN GLU 21 13.049 -0.396 1.524 149 HA GLU 21 HA GLU 21 11.968 -2.175 3.353 150 1HB GLU 21 HB2 GLU 21 12.287 0.765 3.434 151 2HB GLU 21 HB1 GLU 21 11.533 -0.061 4.787 152 1HG GLU 21 HG2 GLU 21 13.689 -1.656 4.407 153 2HG GLU 21 HG1 GLU 21 14.356 -0.115 3.868 154 HA PRO 22 HA PRO 22 7.710 -0.072 3.293 155 1HB PRO 22 HB2 PRO 22 7.118 1.295 0.977 156 2HB PRO 22 HB1 PRO 22 7.754 2.059 2.432 157 1HG PRO 22 HG2 PRO 22 9.159 1.408 -0.114 158 2HG PRO 22 HG1 PRO 22 9.486 2.707 1.048 159 1HD PRO 22 HD2 PRO 22 10.949 0.342 0.844 160 2HD PRO 22 HD1 PRO 22 10.944 1.396 2.266 161 H VAL 23 HN VAL 23 8.534 -0.474 -0.126 162 HA VAL 23 HA VAL 23 6.433 -2.153 -0.913 163 HB VAL 23 HB VAL 23 9.358 -2.413 -1.666 164 1HG1 VAL 23 HG11 VAL 23 6.808 -3.556 -2.730 165 2HG1 VAL 23 HG12 VAL 23 8.409 -4.289 -2.633 166 3HG1 VAL 23 HG13 VAL 23 8.057 -3.105 -3.892 167 1HG2 VAL 23 HG21 VAL 23 9.097 -0.367 -2.586 168 2HG2 VAL 23 HG22 VAL 23 7.382 -0.346 -2.181 169 3HG2 VAL 23 HG23 VAL 23 7.923 -1.085 -3.688 170 H MET 24 HN MET 24 9.189 -2.788 1.160 171 HA MET 24 HA MET 24 8.996 -5.691 1.038 172 1HB MET 24 HB2 MET 24 10.464 -3.687 2.696 173 2HB MET 24 HB1 MET 24 10.291 -5.319 3.341 174 1HG MET 24 HG2 MET 24 10.989 -5.609 0.611 175 2HG MET 24 HG1 MET 24 12.072 -4.387 1.276 176 1HE MET 24 HE1 MET 24 12.053 -8.617 1.262 177 2HE MET 24 HE2 MET 24 10.646 -7.574 1.070 178 3HE MET 24 HE3 MET 24 10.917 -8.401 2.601 179 H MET 25 HN MET 25 7.828 -3.202 3.300 180 HA MET 25 HA MET 25 6.702 -4.992 5.207 181 1HB MET 25 HB2 MET 25 6.264 -2.128 4.461 182 2HB MET 25 HB1 MET 25 5.058 -2.909 5.485 183 1HG MET 25 HG2 MET 25 7.423 -3.732 6.638 184 2HG MET 25 HG1 MET 25 7.807 -2.089 6.127 185 1HE MET 25 HE1 MET 25 8.168 -0.976 7.745 186 2HE MET 25 HE2 MET 25 7.776 -1.575 9.354 187 3HE MET 25 HE3 MET 25 6.979 -0.128 8.742 188 H VAL 26 HN VAL 26 5.306 -3.503 2.282 189 HA VAL 26 HA VAL 26 2.690 -4.644 2.606 190 HB VAL 26 HB VAL 26 4.225 -3.901 0.101 191 1HG1 VAL 26 HG11 VAL 26 2.484 -4.615 -1.169 192 2HG1 VAL 26 HG12 VAL 26 1.303 -3.907 -0.072 193 3HG1 VAL 26 HG13 VAL 26 1.949 -5.513 0.248 194 1HG2 VAL 26 HG21 VAL 26 2.445 -2.481 2.016 195 2HG2 VAL 26 HG22 VAL 26 2.222 -2.111 0.307 196 3HG2 VAL 26 HG23 VAL 26 3.794 -1.861 1.065 197 H ARG 27 HN ARG 27 5.731 -5.938 1.458 198 HA ARG 27 HA ARG 27 4.683 -8.236 0.093 199 1HB ARG 27 HB2 ARG 27 7.330 -7.583 1.346 200 2HB ARG 27 HB1 ARG 27 6.992 -9.237 0.816 201 1HG ARG 27 HG2 ARG 27 6.368 -7.001 -1.065 202 2HG ARG 27 HG1 ARG 27 8.057 -7.447 -0.844 203 1HD ARG 27 HD2 ARG 27 6.225 -9.734 -1.185 204 2HD ARG 27 HD1 ARG 27 6.366 -8.692 -2.598 205 HE ARG 27 HE ARG 27 8.913 -9.516 -1.369 206 1HH1 ARG 27 HH11 ARG 27 7.720 -8.747 -4.273 207 2HH1 ARG 27 HH12 ARG 27 8.186 -10.189 -5.113 208 1HH2 ARG 27 HH21 ARG 27 8.987 -11.930 -2.223 209 2HH2 ARG 27 HH22 ARG 27 8.904 -11.991 -3.952 210 H LYS 28 HN LYS 28 6.116 -8.004 3.319 211 HA LYS 28 HA LYS 28 5.372 -10.639 4.152 212 1HB LYS 28 HB2 LYS 28 5.992 -8.135 5.743 213 2HB LYS 28 HB1 LYS 28 5.729 -9.713 6.485 214 1HG LYS 28 HG2 LYS 28 7.533 -10.399 4.587 215 2HG LYS 28 HG1 LYS 28 8.036 -8.735 4.893 216 1HD LYS 28 HD2 LYS 28 7.701 -10.909 6.982 217 2HD LYS 28 HD1 LYS 28 9.233 -10.253 6.399 218 1HE LYS 28 HE2 LYS 28 7.344 -8.199 7.333 219 2HE LYS 28 HE1 LYS 28 7.862 -9.317 8.595 220 1HZ LYS 28 HZ1 LYS 28 9.376 -7.460 8.437 221 2HZ LYS 28 HZ2 LYS 28 9.641 -7.769 6.788 222 3HZ LYS 28 HZ3 LYS 28 10.165 -8.883 7.959 223 H THR 29 HN THR 29 3.793 -7.535 4.346 224 HA THR 29 HA THR 29 1.543 -8.322 5.958 225 HB THR 29 HB THR 29 2.285 -6.102 4.119 226 HG1 THR 29 HG1 THR 29 2.442 -5.075 5.944 227 1HG2 THR 29 HG21 THR 29 0.172 -5.750 3.445 228 2HG2 THR 29 HG22 THR 29 -0.182 -5.320 5.118 229 3HG2 THR 29 HG23 THR 29 -0.454 -6.967 4.558 230 H VAL 30 HN VAL 30 2.408 -8.368 2.606 231 HA VAL 30 HA VAL 30 -0.172 -9.113 1.526 232 HB VAL 30 HB VAL 30 2.688 -9.081 0.586 233 1HG1 VAL 30 HG11 VAL 30 2.004 -10.033 -1.569 234 2HG1 VAL 30 HG12 VAL 30 0.392 -10.337 -0.918 235 3HG1 VAL 30 HG13 VAL 30 1.787 -11.191 -0.257 236 1HG2 VAL 30 HG21 VAL 30 0.275 -7.993 -0.849 237 2HG2 VAL 30 HG22 VAL 30 1.948 -7.443 -0.932 238 3HG2 VAL 30 HG23 VAL 30 0.980 -7.110 0.503 239 H ARG 31 HN ARG 31 2.581 -10.675 2.927 240 HA ARG 31 HA ARG 31 1.894 -13.390 2.169 241 1HB ARG 31 HB2 ARG 31 3.693 -12.287 4.349 242 2HB ARG 31 HB1 ARG 31 3.587 -13.993 3.915 243 1HG ARG 31 HG2 ARG 31 4.205 -13.307 1.538 244 2HG ARG 31 HG1 ARG 31 4.575 -11.716 2.185 245 1HD ARG 31 HD2 ARG 31 6.554 -13.289 2.009 246 2HD ARG 31 HD1 ARG 31 6.293 -12.580 3.602 247 HE ARG 31 HE ARG 31 5.043 -15.213 3.161 248 1HH1 ARG 31 HH21 ARG 31 8.224 -14.400 3.317 249 2HH1 ARG 31 HH22 ARG 31 8.560 -15.150 4.842 250 1HH2 ARG 31 HH11 ARG 31 5.223 -15.734 5.586 251 2HH2 ARG 31 HH12 ARG 31 6.859 -15.906 6.127 252 H ASN 32 HN ASN 32 1.166 -11.207 4.859 253 HA ASN 32 HA ASN 32 -0.277 -13.458 6.197 254 1HB ASN 32 HB2 ASN 32 -0.528 -11.826 8.104 255 2HB ASN 32 HB1 ASN 32 1.139 -12.256 7.725 256 1HD2 ASN 32 HD21 ASN 32 -1.279 -9.770 6.687 257 2HD2 ASN 32 HD22 ASN 32 -0.161 -8.496 6.657 258 H MET 33 HN MET 33 -0.956 -11.295 3.868 259 HA MET 33 HA MET 33 -3.578 -10.423 4.903 260 1HB MET 33 HB2 MET 33 -1.938 -9.841 2.481 261 2HB MET 33 HB1 MET 33 -3.688 -9.701 2.319 262 1HG MET 33 HG2 MET 33 -3.410 -8.383 4.630 263 2HG MET 33 HG1 MET 33 -1.805 -8.090 3.981 264 1HE MET 33 HE1 MET 33 -5.664 -7.338 1.670 265 2HE MET 33 HE2 MET 33 -5.751 -7.216 3.426 266 3HE MET 33 HE3 MET 33 -5.214 -8.718 2.680 267 H GLN 34 HN GLN 34 -5.493 -10.824 3.396 268 HA GLN 34 HA GLN 34 -5.379 -13.588 2.265 269 1HB GLN 34 HB2 GLN 34 -7.714 -12.345 3.754 270 2HB GLN 34 HB1 GLN 34 -7.615 -13.998 3.143 271 1HG GLN 34 HG2 GLN 34 -6.646 -14.649 5.064 272 2HG GLN 34 HG1 GLN 34 -5.315 -13.528 4.769 273 1HE2 GLN 34 HE21 GLN 34 -5.153 -12.823 6.997 274 2HE2 GLN 34 HE22 GLN 34 -6.366 -11.894 7.737 275 HA PRO 35 HA PRO 35 -7.076 -11.679 -1.285 276 1HB PRO 35 HB2 PRO 35 -8.471 -13.816 -2.347 277 2HB PRO 35 HB1 PRO 35 -6.713 -13.627 -2.449 278 1HG PRO 35 HG2 PRO 35 -8.310 -15.431 -0.679 279 2HG PRO 35 HG1 PRO 35 -6.673 -15.654 -1.320 280 1HD PRO 35 HD2 PRO 35 -7.281 -14.844 1.302 281 2HD PRO 35 HD1 PRO 35 -5.703 -14.640 0.507 282 H GLY 36 HN GLY 36 -8.680 -10.275 -1.197 283 1HA GLY 36 HA2 GLY 36 -11.065 -9.744 -1.368 284 2HA GLY 36 HA1 GLY 36 -11.387 -11.123 -0.304 285 H GLU 37 HN GLU 37 -8.621 -9.128 0.322 286 HA GLU 37 HA GLU 37 -10.070 -7.912 2.647 287 1HB GLU 37 HB2 GLU 37 -7.448 -9.319 2.448 288 2HB GLU 37 HB1 GLU 37 -7.556 -7.952 3.551 289 1HG GLU 37 HG2 GLU 37 -9.798 -9.141 4.302 290 2HG GLU 37 HG1 GLU 37 -9.008 -10.570 3.635 291 H THR 38 HN THR 38 -8.338 -6.077 3.538 292 HA THR 38 HA THR 38 -7.425 -4.512 1.179 293 HB THR 38 HB THR 38 -8.441 -2.487 2.554 294 HG1 THR 38 HG1 THR 38 -9.211 -4.405 4.025 295 1HG2 THR 38 HG21 THR 38 -9.284 -4.137 0.368 296 2HG2 THR 38 HG22 THR 38 -9.598 -2.422 0.630 297 3HG2 THR 38 HG23 THR 38 -10.708 -3.630 1.274 298 H LEU 39 HN LEU 39 -5.857 -2.872 1.702 299 HA LEU 39 HA LEU 39 -4.705 -2.924 4.449 300 1HB LEU 39 HB2 LEU 39 -3.433 -4.651 3.392 301 2HB LEU 39 HB1 LEU 39 -3.296 -3.735 1.894 302 HG LEU 39 HG LEU 39 -2.124 -1.969 3.536 303 1HD1 LEU 39 HD11 LEU 39 -0.621 -3.505 5.025 304 2HD1 LEU 39 HD12 LEU 39 -1.978 -4.626 4.906 305 3HD1 LEU 39 HD13 LEU 39 -2.214 -3.023 5.600 306 1HD2 LEU 39 HD21 LEU 39 0.065 -3.161 2.962 307 2HD2 LEU 39 HD22 LEU 39 -0.993 -2.801 1.598 308 3HD2 LEU 39 HD23 LEU 39 -0.929 -4.435 2.257 309 H LEU 40 HN LEU 40 -4.543 -0.743 4.941 310 HA LEU 40 HA LEU 40 -4.265 1.222 2.761 311 1HB LEU 40 HB2 LEU 40 -5.795 1.863 4.508 312 2HB LEU 40 HB1 LEU 40 -4.612 1.490 5.763 313 HG LEU 40 HG LEU 40 -3.124 3.274 4.718 314 1HD1 LEU 40 HD11 LEU 40 -4.350 3.301 2.534 315 2HD1 LEU 40 HD12 LEU 40 -4.188 4.903 3.253 316 3HD1 LEU 40 HD13 LEU 40 -5.724 4.040 3.356 317 1HD2 LEU 40 HD21 LEU 40 -4.902 3.466 6.699 318 2HD2 LEU 40 HD22 LEU 40 -5.687 4.566 5.566 319 3HD2 LEU 40 HD23 LEU 40 -4.040 4.885 6.107 320 H ILE 41 HN ILE 41 -2.376 2.475 2.476 321 HA ILE 41 HA ILE 41 -0.064 1.784 4.232 322 HB ILE 41 HB ILE 41 0.168 1.944 1.230 323 1HG1 ILE 41 HG12 ILE 41 -0.725 -0.352 2.971 324 2HG1 ILE 41 HG11 ILE 41 -1.363 0.176 1.424 325 1HG2 ILE 41 HG21 ILE 41 2.342 1.534 1.646 326 2HG2 ILE 41 HG22 ILE 41 1.937 0.129 2.628 327 3HG2 ILE 41 HG23 ILE 41 1.997 1.728 3.364 328 1HD1 ILE 41 HD11 ILE 41 1.299 -0.464 0.872 329 2HD1 ILE 41 HD12 ILE 41 -0.119 -1.430 0.463 330 3HD1 ILE 41 HD13 ILE 41 0.753 -1.735 1.964 331 H ILE 42 HN ILE 42 0.909 3.680 4.920 332 HA ILE 42 HA ILE 42 0.447 6.103 3.271 333 HB ILE 42 HB ILE 42 1.775 6.023 5.975 334 1HG1 ILE 42 HG12 ILE 42 -1.135 5.802 5.256 335 2HG1 ILE 42 HG11 ILE 42 -0.240 4.988 6.542 336 1HG2 ILE 42 HG21 ILE 42 1.032 8.336 6.061 337 2HG2 ILE 42 HG22 ILE 42 0.100 8.134 4.579 338 3HG2 ILE 42 HG23 ILE 42 1.859 8.079 4.529 339 1HD1 ILE 42 HD11 ILE 42 -1.598 6.665 7.586 340 2HD1 ILE 42 HD12 ILE 42 -1.064 7.889 6.433 341 3HD1 ILE 42 HD13 ILE 42 0.067 7.243 7.622 342 H ALA 43 HN ALA 43 2.362 7.466 2.918 343 HA ALA 43 HA ALA 43 4.983 6.283 3.334 344 1HB ALA 43 HB1 ALA 43 5.446 5.449 1.257 345 2HB ALA 43 HB2 ALA 43 4.467 6.668 0.441 346 3HB ALA 43 HB3 ALA 43 3.695 5.260 1.171 347 H ASP 44 HN ASP 44 6.345 7.978 3.538 348 HA ASP 44 HA ASP 44 5.492 10.535 2.276 349 1HB ASP 44 HB2 ASP 44 6.905 11.704 3.848 350 2HB ASP 44 HB1 ASP 44 5.886 10.608 4.769 351 H ASP 45 HN ASP 45 7.783 7.958 2.416 352 HA ASP 45 HA ASP 45 9.959 9.202 1.048 353 1HB ASP 45 HB2 ASP 45 10.404 7.114 1.926 354 2HB ASP 45 HB1 ASP 45 8.887 6.456 1.346 355 HA PRO 46 HA PRO 46 8.001 9.903 -2.849 356 1HB PRO 46 HB2 PRO 46 10.281 10.327 -4.325 357 2HB PRO 46 HB1 PRO 46 9.599 11.524 -3.210 358 1HG PRO 46 HG2 PRO 46 12.011 9.807 -2.878 359 2HG PRO 46 HG1 PRO 46 11.637 11.370 -2.134 360 1HD PRO 46 HD2 PRO 46 11.413 8.836 -0.886 361 2HD PRO 46 HD1 PRO 46 10.760 10.362 -0.273 362 H ALA 47 HN ALA 47 10.308 7.405 -2.317 363 HA ALA 47 HA ALA 47 9.898 6.180 -4.977 364 1HB ALA 47 HB1 ALA 47 11.362 4.335 -3.869 365 2HB ALA 47 HB2 ALA 47 11.607 5.518 -2.585 366 3HB ALA 47 HB3 ALA 47 12.112 5.889 -4.233 367 H THR 48 HN THR 48 8.150 6.246 -2.153 368 HA THR 48 HA THR 48 7.371 3.405 -2.182 369 HB THR 48 HB THR 48 5.602 4.387 -0.497 370 HG1 THR 48 HG1 THR 48 5.907 6.537 -0.906 371 1HG2 THR 48 HG21 THR 48 7.553 2.978 0.079 372 2HG2 THR 48 HG22 THR 48 7.247 4.213 1.299 373 3HG2 THR 48 HG23 THR 48 8.562 4.422 0.142 374 H THR 49 HN THR 49 5.950 6.554 -3.034 375 HA THR 49 HA THR 49 3.355 5.647 -3.728 376 HB THR 49 HB THR 49 3.045 7.695 -4.757 377 HG1 THR 49 HG1 THR 49 5.737 7.749 -5.610 378 1HG2 THR 49 HG21 THR 49 5.655 8.658 -3.760 379 2HG2 THR 49 HG22 THR 49 4.656 7.817 -2.575 380 3HG2 THR 49 HG23 THR 49 4.029 9.239 -3.407 381 H ARG 50 HN ARG 50 6.415 5.457 -5.423 382 HA ARG 50 HA ARG 50 5.052 4.347 -7.816 383 1HB ARG 50 HB2 ARG 50 7.883 5.199 -7.241 384 2HB ARG 50 HB1 ARG 50 7.440 4.352 -8.722 385 1HG ARG 50 HG2 ARG 50 5.544 6.222 -8.806 386 2HG ARG 50 HG1 ARG 50 6.711 7.112 -7.827 387 1HD ARG 50 HD2 ARG 50 7.992 7.524 -9.630 388 2HD ARG 50 HD1 ARG 50 8.055 5.807 -10.028 389 HE ARG 50 HE ARG 50 6.109 6.105 -11.441 390 1HH1 ARG 50 HH11 ARG 50 4.578 8.175 -10.050 391 2HH1 ARG 50 HH12 ARG 50 4.871 9.595 -10.996 392 1HH2 ARG 50 HH21 ARG 50 7.647 8.278 -12.601 393 2HH2 ARG 50 HH22 ARG 50 6.608 9.654 -12.439 394 H ASP 51 HN ASP 51 7.345 3.311 -5.331 395 HA ASP 51 HA ASP 51 7.639 0.688 -6.613 396 1HB ASP 51 HB2 ASP 51 8.720 1.795 -4.009 397 2HB ASP 51 HB1 ASP 51 9.154 0.222 -4.690 398 H ILE 52 HN ILE 52 6.242 1.841 -3.523 399 HA ILE 52 HA ILE 52 5.579 -0.701 -2.515 400 HB ILE 52 HB ILE 52 4.552 2.051 -2.080 401 1HG1 ILE 52 HG12 ILE 52 5.630 -0.210 -0.396 402 2HG1 ILE 52 HG11 ILE 52 6.404 1.331 -0.764 403 1HG2 ILE 52 HG21 ILE 52 2.460 0.696 -2.235 404 2HG2 ILE 52 HG22 ILE 52 2.753 1.288 -0.600 405 3HG2 ILE 52 HG23 ILE 52 3.105 -0.392 -1.005 406 1HD1 ILE 52 HD11 ILE 52 5.487 2.194 1.097 407 2HD1 ILE 52 HD12 ILE 52 4.610 0.693 1.394 408 3HD1 ILE 52 HD13 ILE 52 3.891 1.950 0.386 409 HA PRO 53 HA PRO 53 1.437 -0.547 -4.785 410 1HB PRO 53 HB2 PRO 53 1.226 1.268 -6.832 411 2HB PRO 53 HB1 PRO 53 0.656 1.547 -5.176 412 1HG PRO 53 HG2 PRO 53 3.063 2.639 -6.560 413 2HG PRO 53 HG1 PRO 53 2.135 3.332 -5.218 414 1HD PRO 53 HD2 PRO 53 4.609 2.011 -4.986 415 2HD PRO 53 HD1 PRO 53 3.494 2.355 -3.645 416 H GLY 54 HN GLY 54 4.020 0.602 -6.993 417 1HA GLY 54 HA2 GLY 54 3.417 -1.083 -9.158 418 2HA GLY 54 HA1 GLY 54 5.072 -0.607 -8.734 419 H PHE 55 HN PHE 55 4.657 -1.842 -5.989 420 HA PHE 55 HA PHE 55 5.543 -4.525 -6.748 421 1HB PHE 55 HB2 PHE 55 6.664 -3.904 -4.833 422 2HB PHE 55 HB1 PHE 55 5.319 -2.942 -4.228 423 HD1 PHE 55 HD1 PHE 55 5.365 -6.519 -5.341 424 HD2 PHE 55 HD2 PHE 55 4.884 -3.776 -2.079 425 HE1 PHE 55 HE1 PHE 55 4.626 -8.375 -3.891 426 HE2 PHE 55 HE2 PHE 55 4.146 -5.639 -0.639 427 HZ PHE 55 HZ PHE 55 4.006 -7.940 -1.543 428 H CYS 56 HN CYS 56 2.729 -3.236 -4.886 429 HA CYS 56 HA CYS 56 1.431 -5.710 -4.525 430 1HB CYS 56 HB2 CYS 56 0.421 -2.900 -4.865 431 2HB CYS 56 HB1 CYS 56 -0.704 -4.243 -4.655 432 HG CYS 56 HG CYS 56 0.313 -4.725 -2.326 433 H THR 57 HN THR 57 1.440 -3.593 -7.363 434 HA THR 57 HA THR 57 -0.596 -5.030 -8.796 435 HB THR 57 HB THR 57 1.745 -3.510 -9.968 436 HG1 THR 57 HG1 THR 57 0.804 -2.022 -8.755 437 1HG2 THR 57 HG21 THR 57 -0.646 -4.806 -11.034 438 2HG2 THR 57 HG22 THR 57 0.776 -4.204 -11.885 439 3HG2 THR 57 HG23 THR 57 -0.545 -3.105 -11.486 440 H PHE 58 HN PHE 58 2.868 -5.498 -8.438 441 HA PHE 58 HA PHE 58 3.102 -7.442 -10.568 442 1HB PHE 58 HB2 PHE 58 4.932 -6.002 -9.346 443 2HB PHE 58 HB1 PHE 58 4.989 -7.375 -8.241 444 HD1 PHE 58 HD1 PHE 58 6.252 -6.062 -11.269 445 HD2 PHE 58 HD2 PHE 58 5.072 -9.752 -9.413 446 HE1 PHE 58 HE1 PHE 58 7.628 -7.324 -12.903 447 HE2 PHE 58 HE2 PHE 58 6.447 -11.014 -11.047 448 HZ PHE 58 HZ PHE 58 7.724 -9.800 -12.792 449 H MET 59 HN MET 59 2.329 -7.702 -7.115 450 HA MET 59 HA MET 59 2.638 -10.623 -7.238 451 1HB MET 59 HB2 MET 59 2.175 -8.656 -5.102 452 2HB MET 59 HB1 MET 59 1.564 -10.280 -4.825 453 1HG MET 59 HG2 MET 59 4.412 -9.571 -5.591 454 2HG MET 59 HG1 MET 59 3.871 -10.052 -3.982 455 1HE MET 59 HE1 MET 59 6.058 -12.886 -5.354 456 2HE MET 59 HE2 MET 59 6.098 -11.162 -4.992 457 3HE MET 59 HE3 MET 59 5.960 -11.700 -6.663 458 H GLU 60 HN GLU 60 0.306 -8.718 -8.410 459 HA GLU 60 HA GLU 60 -1.819 -9.382 -9.219 460 1HB GLU 60 HB2 GLU 60 -1.831 -11.679 -7.265 461 2HB GLU 60 HB1 GLU 60 -2.702 -11.529 -8.790 462 1HG GLU 60 HG2 GLU 60 0.178 -11.260 -9.166 463 2HG GLU 60 HG1 GLU 60 -0.245 -12.801 -8.420 464 H HIS 61 HN HIS 61 -1.199 -7.727 -6.794 465 HA HIS 61 HA HIS 61 -3.629 -8.123 -5.158 466 1HB HIS 61 HB2 HIS 61 -1.407 -6.081 -4.851 467 2HB HIS 61 HB1 HIS 61 -2.631 -6.505 -3.660 468 HD1 HIS 61 HD1 HIS 61 -2.117 -9.637 -4.872 469 HD2 HIS 61 HD2 HIS 61 0.409 -7.130 -2.706 470 HE1 HIS 61 HE1 HIS 61 -0.374 -11.125 -3.814 471 H GLU 62 HN GLU 62 -4.739 -5.845 -4.622 472 HA GLU 62 HA GLU 62 -4.930 -4.389 -7.232 473 1HB GLU 62 HB2 GLU 62 -7.020 -5.402 -5.371 474 2HB GLU 62 HB1 GLU 62 -7.340 -3.908 -6.237 475 1HG GLU 62 HG2 GLU 62 -7.955 -5.175 -8.000 476 2HG GLU 62 HG1 GLU 62 -6.259 -5.629 -8.166 477 H LEU 63 HN LEU 63 -4.971 -2.212 -7.159 478 HA LEU 63 HA LEU 63 -4.302 -0.887 -4.600 479 1HB LEU 63 HB2 LEU 63 -3.003 0.031 -6.341 480 2HB LEU 63 HB1 LEU 63 -4.310 -0.098 -7.513 481 HG LEU 63 HG LEU 63 -5.527 1.696 -6.149 482 1HD1 LEU 63 HD11 LEU 63 -4.572 2.523 -4.282 483 2HD1 LEU 63 HD12 LEU 63 -3.058 2.827 -5.134 484 3HD1 LEU 63 HD13 LEU 63 -3.361 1.248 -4.409 485 1HD2 LEU 63 HD21 LEU 63 -3.706 1.859 -8.219 486 2HD2 LEU 63 HD22 LEU 63 -3.069 3.024 -7.058 487 3HD2 LEU 63 HD23 LEU 63 -4.720 3.187 -7.655 488 H VAL 64 HN VAL 64 -6.231 -0.785 -3.376 489 HA VAL 64 HA VAL 64 -8.754 -0.474 -4.674 490 HB VAL 64 HB VAL 64 -7.842 -0.333 -1.800 491 1HG1 VAL 64 HG11 VAL 64 -9.865 0.919 -1.892 492 2HG1 VAL 64 HG12 VAL 64 -10.328 -0.713 -1.401 493 3HG1 VAL 64 HG13 VAL 64 -10.568 -0.190 -3.068 494 1HG2 VAL 64 HG21 VAL 64 -8.150 -2.572 -1.804 495 2HG2 VAL 64 HG22 VAL 64 -8.109 -2.447 -3.564 496 3HG2 VAL 64 HG23 VAL 64 -9.654 -2.444 -2.715 497 H ALA 65 HN ALA 65 -6.784 1.866 -2.698 498 HA ALA 65 HA ALA 65 -8.080 3.992 -4.342 499 1HB ALA 65 HB1 ALA 65 -9.537 4.493 -2.696 500 2HB ALA 65 HB2 ALA 65 -8.148 5.112 -1.803 501 3HB ALA 65 HB3 ALA 65 -8.700 3.460 -1.538 502 H LYS 66 HN LYS 66 -6.516 5.556 -4.881 503 HA LYS 66 HA LYS 66 -3.987 5.386 -3.373 504 1HB LYS 66 HB2 LYS 66 -4.357 7.091 -5.779 505 2HB LYS 66 HB1 LYS 66 -2.931 6.197 -5.255 506 1HG LYS 66 HG2 LYS 66 -3.623 4.804 -6.884 507 2HG LYS 66 HG1 LYS 66 -4.615 4.155 -5.609 508 1HD LYS 66 HD2 LYS 66 -6.408 4.587 -6.903 509 2HD LYS 66 HD1 LYS 66 -6.083 6.302 -6.646 510 1HE LYS 66 HE2 LYS 66 -5.222 6.580 -8.733 511 2HE LYS 66 HE1 LYS 66 -4.386 5.028 -8.698 512 1HZ LYS 66 HZ1 LYS 66 -6.837 4.143 -8.820 513 2HZ LYS 66 HZ2 LYS 66 -5.989 4.582 -10.224 514 3HZ LYS 66 HZ3 LYS 66 -7.117 5.653 -9.540 515 H GLU 67 HN GLU 67 -2.883 7.348 -2.852 516 HA GLU 67 HA GLU 67 -4.597 9.738 -2.518 517 1HB GLU 67 HB2 GLU 67 -3.338 8.100 -0.428 518 2HB GLU 67 HB1 GLU 67 -3.287 9.825 -0.205 519 1HG GLU 67 HG2 GLU 67 -5.852 8.438 -0.938 520 2HG GLU 67 HG1 GLU 67 -5.332 8.543 0.745 521 H THR 68 HN THR 68 -3.492 11.247 -3.666 522 HA THR 68 HA THR 68 -0.575 11.579 -3.109 523 HB THR 68 HB THR 68 -0.140 11.978 -5.484 524 HG1 THR 68 HG1 THR 68 -1.766 11.801 -6.975 525 1HG2 THR 68 HG21 THR 68 -1.260 9.429 -4.504 526 2HG2 THR 68 HG22 THR 68 0.278 9.751 -5.306 527 3HG2 THR 68 HG23 THR 68 -1.195 9.581 -6.260 528 H ASP 69 HN ASP 69 -2.987 12.928 -2.133 529 HA ASP 69 HA ASP 69 -3.185 15.462 -3.567 530 1HB ASP 69 HB2 ASP 69 -4.131 14.748 -0.787 531 2HB ASP 69 HB1 ASP 69 -4.658 16.139 -1.737 532 H GLY 70 HN GLY 70 -0.739 14.285 -1.881 533 1HA GLY 70 HA2 GLY 70 1.081 16.041 -1.630 534 2HA GLY 70 HA1 GLY 70 -0.047 16.804 -0.540 535 H LEU 71 HN LEU 71 2.555 15.151 -0.494 536 HA LEU 71 HA LEU 71 2.541 12.874 0.945 537 1HB LEU 71 HB2 LEU 71 4.214 15.301 1.617 538 2HB LEU 71 HB1 LEU 71 4.525 13.683 2.207 539 HG LEU 71 HG LEU 71 4.181 13.985 -0.703 540 1HD1 LEU 71 HD11 LEU 71 5.644 15.851 -0.358 541 2HD1 LEU 71 HD12 LEU 71 6.679 14.507 -0.841 542 3HD1 LEU 71 HD13 LEU 71 6.573 14.972 0.857 543 1HD2 LEU 71 HD21 LEU 71 5.905 12.359 1.169 544 2HD2 LEU 71 HD22 LEU 71 6.086 12.302 -0.584 545 3HD2 LEU 71 HD23 LEU 71 4.573 11.786 0.165 546 HA PRO 72 HA PRO 72 3.352 11.865 2.411 547 1HB PRO 72 HB2 PRO 72 2.313 9.910 4.000 548 2HB PRO 72 HB1 PRO 72 3.549 11.048 4.574 549 1HG PRO 72 HG2 PRO 72 0.630 10.991 5.144 550 2HG PRO 72 HG1 PRO 72 1.949 11.585 6.172 551 1HD PRO 72 HD2 PRO 72 0.201 13.195 4.638 552 2HD PRO 72 HD1 PRO 72 1.751 13.727 5.330 553 H TYR 73 HN TYR 73 2.782 10.206 0.963 554 HA TYR 73 HA TYR 73 0.179 10.295 -0.253 555 1HB TYR 73 HB2 TYR 73 2.066 8.042 -0.644 556 2HB TYR 73 HB1 TYR 73 0.979 8.772 -1.812 557 HD1 TYR 73 HD1 TYR 73 4.213 8.689 -0.418 558 HD2 TYR 73 HD2 TYR 73 1.507 11.173 -2.592 559 HE1 TYR 73 HE1 TYR 73 6.132 10.018 -1.231 560 HE2 TYR 73 HE2 TYR 73 3.395 12.554 -3.395 561 HH TYR 73 HH TYR 73 6.225 11.804 -3.673 562 H ARG 74 HN ARG 74 -1.172 8.275 -0.565 563 HA ARG 74 HA ARG 74 -0.754 6.185 1.417 564 1HB ARG 74 HB2 ARG 74 -3.065 8.089 1.472 565 2HB ARG 74 HB1 ARG 74 -3.296 6.400 1.940 566 1HG ARG 74 HG2 ARG 74 -1.993 6.561 3.777 567 2HG ARG 74 HG1 ARG 74 -0.948 7.767 3.072 568 1HD ARG 74 HD2 ARG 74 -2.264 8.791 4.865 569 2HD ARG 74 HD1 ARG 74 -2.774 9.451 3.312 570 HE ARG 74 HE ARG 74 -4.471 7.282 3.753 571 1HH1 ARG 74 HH21 ARG 74 -4.915 10.418 3.849 572 2HH1 ARG 74 HH22 ARG 74 -5.847 10.516 5.304 573 1HH2 ARG 74 HH11 ARG 74 -5.101 7.285 6.314 574 2HH2 ARG 74 HH12 ARG 74 -5.953 8.743 6.700 575 H TYR 75 HN TYR 75 -1.900 4.300 0.839 576 HA TYR 75 HA TYR 75 -3.419 4.374 -1.656 577 1HB TYR 75 HB2 TYR 75 -1.215 2.413 -1.653 578 2HB TYR 75 HB1 TYR 75 -1.997 3.227 -3.005 579 HD1 TYR 75 HD1 TYR 75 -1.521 5.792 -3.255 580 HD2 TYR 75 HD2 TYR 75 0.757 3.138 -0.845 581 HE1 TYR 75 HE1 TYR 75 0.395 7.363 -3.382 582 HE2 TYR 75 HE2 TYR 75 2.704 4.694 -0.935 583 HH TYR 75 HH TYR 75 2.504 7.726 -2.809 584 H LEU 76 HN LEU 76 -5.086 2.929 -1.325 585 HA LEU 76 HA LEU 76 -4.723 1.004 0.776 586 1HB LEU 76 HB2 LEU 76 -6.903 2.107 0.627 587 2HB LEU 76 HB1 LEU 76 -7.119 1.487 -0.993 588 HG LEU 76 HG LEU 76 -6.727 -0.824 0.025 589 1HD1 LEU 76 HD11 LEU 76 -6.175 0.696 2.278 590 2HD1 LEU 76 HD12 LEU 76 -6.458 -1.044 2.245 591 3HD1 LEU 76 HD13 LEU 76 -7.790 0.060 2.587 592 1HD2 LEU 76 HD21 LEU 76 -8.911 -0.948 -0.275 593 2HD2 LEU 76 HD22 LEU 76 -8.978 0.814 -0.281 594 3HD2 LEU 76 HD23 LEU 76 -9.201 -0.072 1.227 595 H ILE 77 HN ILE 77 -4.917 -1.361 0.217 596 HA ILE 77 HA ILE 77 -4.928 -1.904 -2.669 597 HB ILE 77 HB ILE 77 -2.800 -2.984 -0.821 598 1HG1 ILE 77 HG12 ILE 77 -2.883 -0.535 -2.576 599 2HG1 ILE 77 HG11 ILE 77 -2.351 -0.668 -0.903 600 1HG2 ILE 77 HG21 ILE 77 -2.558 -2.788 -3.801 601 2HG2 ILE 77 HG22 ILE 77 -3.596 -4.052 -3.138 602 3HG2 ILE 77 HG23 ILE 77 -1.888 -3.996 -2.704 603 1HD1 ILE 77 HD11 ILE 77 -0.364 -1.877 -1.561 604 2HD1 ILE 77 HD12 ILE 77 -0.467 -0.422 -2.550 605 3HD1 ILE 77 HD13 ILE 77 -0.925 -1.983 -3.229 606 H ARG 78 HN ARG 78 -6.647 -3.279 -2.790 607 HA ARG 78 HA ARG 78 -7.384 -5.021 -0.590 608 1HB ARG 78 HB2 ARG 78 -9.149 -4.341 -2.041 609 2HB ARG 78 HB1 ARG 78 -8.252 -4.822 -3.480 610 1HG ARG 78 HG2 ARG 78 -8.839 -7.015 -3.272 611 2HG ARG 78 HG1 ARG 78 -8.711 -6.984 -1.514 612 1HD ARG 78 HD2 ARG 78 -11.006 -7.185 -1.734 613 2HD ARG 78 HD1 ARG 78 -10.858 -5.428 -1.733 614 HE ARG 78 HE ARG 78 -10.732 -6.687 -4.389 615 1HH1 ARG 78 HH21 ARG 78 -13.380 -7.022 -2.718 616 2HH1 ARG 78 HH22 ARG 78 -14.320 -5.749 -3.423 617 1HH2 ARG 78 HH11 ARG 78 -11.607 -4.243 -4.970 618 2HH2 ARG 78 HH12 ARG 78 -13.316 -4.176 -4.698 619 H LYS 79 HN LYS 79 -6.185 -6.781 -0.042 620 HA LYS 79 HA LYS 79 -4.203 -8.026 -1.679 621 1HB LYS 79 HB2 LYS 79 -4.079 -8.447 0.655 622 2HB LYS 79 HB1 LYS 79 -5.767 -8.951 0.740 623 1HG LYS 79 HG2 LYS 79 -4.345 -10.927 0.841 624 2HG LYS 79 HG1 LYS 79 -5.203 -10.917 -0.698 625 1HD LYS 79 HD2 LYS 79 -3.293 -10.316 -1.911 626 2HD LYS 79 HD1 LYS 79 -2.483 -9.652 -0.492 627 1HE LYS 79 HE2 LYS 79 -1.774 -11.715 0.242 628 2HE LYS 79 HE1 LYS 79 -3.174 -12.550 -0.430 629 1HZ LYS 79 HZ1 LYS 79 -0.814 -11.522 -1.901 630 2HZ LYS 79 HZ2 LYS 79 -2.227 -12.080 -2.666 631 3HZ LYS 79 HZ3 LYS 79 -1.293 -13.140 -1.722 632 H GLY 80 HN GLY 80 -4.396 -9.594 -3.240 633 1HA GLY 80 HA2 GLY 80 -6.554 -11.459 -3.441 634 2HA GLY 80 HA1 GLY 80 -6.863 -10.099 -4.523 635 H GLY 81 HN GLY 81 -6.609 -12.078 -6.067 636 1HA GLY 81 HA2 GLY 81 -4.975 -12.118 -8.009 637 2HA GLY 81 HA1 GLY 81 -3.719 -12.351 -6.791 Start of MODEL 5 1 1H MET 1 HT1 MET 1 -16.653 11.433 3.685 2 2H MET 1 HT2 MET 1 -18.302 11.813 3.535 3 3H MET 1 HT3 MET 1 -17.123 12.991 3.207 4 HA MET 1 HA MET 1 -18.282 11.745 1.262 5 1HB MET 1 HB2 MET 1 -15.554 12.770 1.687 6 2HB MET 1 HB1 MET 1 -15.698 11.669 0.316 7 1HG MET 1 HG2 MET 1 -17.962 13.347 0.191 8 2HG MET 1 HG1 MET 1 -16.597 14.407 0.541 9 1HE MET 1 HE1 MET 1 -14.026 13.404 -2.187 10 2HE MET 1 HE2 MET 1 -14.234 12.929 -0.504 11 3HE MET 1 HE3 MET 1 -14.427 14.618 -0.965 12 H THR 2 HN THR 2 -18.346 9.776 0.194 13 HA THR 2 HA THR 2 -17.604 7.405 1.596 14 HB THR 2 HB THR 2 -19.369 7.310 -0.051 15 HG1 THR 2 HG1 THR 2 -17.587 5.584 0.127 16 1HG2 THR 2 HG21 THR 2 -19.247 8.419 -2.002 17 2HG2 THR 2 HG22 THR 2 -17.816 7.505 -2.479 18 3HG2 THR 2 HG23 THR 2 -17.644 8.979 -1.526 19 H ASP 3 HN ASP 3 -15.480 6.971 2.031 20 HA ASP 3 HA ASP 3 -13.522 7.305 -0.206 21 1HB ASP 3 HB2 ASP 3 -13.389 7.849 2.697 22 2HB ASP 3 HB1 ASP 3 -11.979 7.024 2.033 23 H LEU 4 HN LEU 4 -12.404 5.498 -0.865 24 HA LEU 4 HA LEU 4 -13.311 2.900 0.050 25 1HB LEU 4 HB2 LEU 4 -11.211 3.848 -1.892 26 2HB LEU 4 HB1 LEU 4 -11.323 2.145 -1.450 27 HG LEU 4 HG LEU 4 -13.692 3.744 -2.442 28 1HD1 LEU 4 HD11 LEU 4 -12.557 1.749 -4.260 29 2HD1 LEU 4 HD12 LEU 4 -11.457 3.093 -3.952 30 3HD1 LEU 4 HD13 LEU 4 -13.071 3.402 -4.592 31 1HD2 LEU 4 HD21 LEU 4 -14.263 1.736 -1.180 32 2HD2 LEU 4 HD22 LEU 4 -13.123 0.780 -2.128 33 3HD2 LEU 4 HD23 LEU 4 -14.568 1.442 -2.892 34 H PHE 5 HN PHE 5 -11.197 5.074 1.410 35 HA PHE 5 HA PHE 5 -9.234 3.102 2.364 36 1HB PHE 5 HB2 PHE 5 -9.583 6.060 2.562 37 2HB PHE 5 HB1 PHE 5 -8.648 5.259 3.825 38 HD1 PHE 5 HD1 PHE 5 -6.659 6.562 2.955 39 HD2 PHE 5 HD2 PHE 5 -8.692 3.624 0.587 40 HE1 PHE 5 HE1 PHE 5 -4.728 6.413 1.420 41 HE2 PHE 5 HE2 PHE 5 -6.728 3.498 -0.915 42 HZ PHE 5 HZ PHE 5 -4.749 4.943 -0.531 43 H SER 6 HN SER 6 -12.273 3.222 3.068 44 HA SER 6 HA SER 6 -12.755 3.849 5.731 45 1HB SER 6 HB2 SER 6 -13.649 1.311 4.331 46 2HB SER 6 HB1 SER 6 -14.403 2.027 5.753 47 HG SER 6 HG SER 6 -15.429 3.321 4.466 48 H SER 7 HN SER 7 -12.985 2.061 7.550 49 HA SER 7 HA SER 7 -10.471 1.362 8.504 50 1HB SER 7 HB2 SER 7 -11.579 -0.198 9.994 51 2HB SER 7 HB1 SER 7 -12.627 1.199 9.779 52 HG SER 7 HG SER 7 -13.994 -0.376 9.327 53 HA PRO 8 HA PRO 8 -9.586 -1.732 5.329 54 1HB PRO 8 HB2 PRO 8 -6.869 -1.613 5.694 55 2HB PRO 8 HB1 PRO 8 -7.772 -0.476 4.681 56 1HG PRO 8 HG2 PRO 8 -6.613 -0.052 7.401 57 2HG PRO 8 HG1 PRO 8 -6.904 1.124 6.109 58 1HD PRO 8 HD2 PRO 8 -8.522 0.762 8.387 59 2HD PRO 8 HD1 PRO 8 -8.987 1.640 6.916 60 H ASP 9 HN ASP 9 -8.149 -3.804 5.513 61 HA ASP 9 HA ASP 9 -8.710 -5.028 8.141 62 1HB ASP 9 HB2 ASP 9 -7.642 -6.169 5.540 63 2HB ASP 9 HB1 ASP 9 -7.926 -7.125 6.996 64 H HIS 10 HN HIS 10 -6.046 -3.732 6.345 65 HA HIS 10 HA HIS 10 -4.239 -4.389 8.612 66 1HB HIS 10 HB2 HIS 10 -3.872 -5.125 5.718 67 2HB HIS 10 HB1 HIS 10 -2.471 -4.815 6.735 68 HD1 HIS 10 HD1 HIS 10 -1.633 -6.819 7.969 69 HD2 HIS 10 HD2 HIS 10 -5.691 -7.152 7.070 70 HE1 HIS 10 HE1 HIS 10 -2.365 -9.100 8.793 71 H THR 11 HN THR 11 -2.064 -3.087 8.212 72 HA THR 11 HA THR 11 -2.554 -0.600 6.677 73 HB THR 11 HB THR 11 -1.757 -0.612 9.585 74 HG1 THR 11 HG1 THR 11 -3.872 0.428 9.759 75 1HG2 THR 11 HG21 THR 11 -2.051 1.831 9.394 76 2HG2 THR 11 HG22 THR 11 -2.441 1.647 7.685 77 3HG2 THR 11 HG23 THR 11 -0.824 1.251 8.268 78 H LEU 12 HN LEU 12 -0.554 0.672 6.443 79 HA LEU 12 HA LEU 12 1.981 -0.688 7.163 80 1HB LEU 12 HB2 LEU 12 1.631 -1.676 5.011 81 2HB LEU 12 HB1 LEU 12 1.060 -0.153 4.338 82 HG LEU 12 HG LEU 12 3.270 0.800 4.287 83 1HD1 LEU 12 HD11 LEU 12 4.118 0.360 6.447 84 2HD1 LEU 12 HD12 LEU 12 5.170 -0.579 5.397 85 3HD1 LEU 12 HD13 LEU 12 3.880 -1.379 6.296 86 1HD2 LEU 12 HD21 LEU 12 4.703 -1.237 3.432 87 2HD2 LEU 12 HD22 LEU 12 3.293 -0.716 2.513 88 3HD2 LEU 12 HD23 LEU 12 3.186 -2.124 3.572 89 H ASP 13 HN ASP 13 3.035 1.012 8.152 90 HA ASP 13 HA ASP 13 2.605 3.760 7.170 91 1HB ASP 13 HB2 ASP 13 2.969 3.191 9.630 92 2HB ASP 13 HB1 ASP 13 4.639 2.802 9.212 93 H ALA 14 HN ALA 14 4.164 4.885 5.858 94 HA ALA 14 HA ALA 14 6.694 3.435 5.353 95 1HB ALA 14 HB1 ALA 14 4.630 2.988 3.655 96 2HB ALA 14 HB2 ALA 14 6.330 2.890 3.197 97 3HB ALA 14 HB3 ALA 14 5.413 4.363 2.874 98 H LEU 15 HN LEU 15 5.563 5.874 6.541 99 HA LEU 15 HA LEU 15 6.724 8.111 5.097 100 1HB LEU 15 HB2 LEU 15 5.954 8.243 7.966 101 2HB LEU 15 HB1 LEU 15 5.707 9.396 6.666 102 HG LEU 15 HG LEU 15 4.151 6.869 7.186 103 1HD1 LEU 15 HD11 LEU 15 3.724 9.382 8.114 104 2HD1 LEU 15 HD12 LEU 15 2.429 8.230 7.785 105 3HD1 LEU 15 HD13 LEU 15 2.847 9.454 6.586 106 1HD2 LEU 15 HD21 LEU 15 4.790 8.170 4.678 107 2HD2 LEU 15 HD22 LEU 15 3.057 8.228 4.983 108 3HD2 LEU 15 HD23 LEU 15 3.896 6.679 4.959 109 H GLY 16 HN GLY 16 8.846 8.000 5.025 110 1HA GLY 16 HA2 GLY 16 11.004 8.405 6.100 111 2HA GLY 16 HA1 GLY 16 10.369 7.629 7.558 112 H LEU 17 HN LEU 17 9.172 5.866 5.080 113 HA LEU 17 HA LEU 17 11.255 3.787 5.322 114 1HB LEU 17 HB2 LEU 17 8.440 3.757 4.191 115 2HB LEU 17 HB1 LEU 17 9.527 2.373 4.171 116 HG LEU 17 HG LEU 17 8.109 3.644 6.470 117 1HD1 LEU 17 HD11 LEU 17 7.185 1.618 5.583 118 2HD1 LEU 17 HD12 LEU 17 8.039 1.146 7.053 119 3HD1 LEU 17 HD13 LEU 17 8.775 0.864 5.474 120 1HD2 LEU 17 HD21 LEU 17 10.802 2.288 6.563 121 2HD2 LEU 17 HD22 LEU 17 9.715 2.325 7.952 122 3HD2 LEU 17 HD23 LEU 17 10.336 3.832 7.277 123 H ARG 18 HN ARG 18 12.154 2.914 3.387 124 HA ARG 18 HA ARG 18 11.377 4.335 0.914 125 1HB ARG 18 HB2 ARG 18 13.865 4.659 0.396 126 2HB ARG 18 HB1 ARG 18 13.099 5.740 1.559 127 1HG ARG 18 HG2 ARG 18 13.925 3.770 3.231 128 2HG ARG 18 HG1 ARG 18 15.178 3.670 1.995 129 1HD ARG 18 HD2 ARG 18 14.393 6.106 3.613 130 2HD ARG 18 HD1 ARG 18 15.933 5.249 3.653 131 HE ARG 18 HE ARG 18 15.373 7.356 1.882 132 1HH1 ARG 18 HH11 ARG 18 17.857 5.424 2.252 133 2HH1 ARG 18 HH12 ARG 18 18.128 5.011 0.592 134 1HH2 ARG 18 HH21 ARG 18 15.073 6.243 -0.491 135 2HH2 ARG 18 HH22 ARG 18 16.553 5.474 -0.961 136 H CYS 19 HN CYS 19 11.869 3.178 -0.956 137 HA CYS 19 HA CYS 19 11.665 0.396 -0.846 138 1HB CYS 19 HB2 CYS 19 11.346 1.447 -2.945 139 2HB CYS 19 HB1 CYS 19 12.957 2.160 -2.928 140 HG CYS 19 HG CYS 19 13.956 -0.242 -3.289 141 HA PRO 20 HA PRO 20 12.092 -1.393 -1.508 142 1HB PRO 20 HB2 PRO 20 12.899 -3.808 -0.518 143 2HB PRO 20 HB1 PRO 20 13.498 -3.153 -2.053 144 1HG PRO 20 HG2 PRO 20 14.902 -3.382 0.560 145 2HG PRO 20 HG1 PRO 20 15.583 -3.293 -1.069 146 1HD PRO 20 HD2 PRO 20 15.404 -1.173 0.834 147 2HD PRO 20 HD1 PRO 20 15.929 -1.046 -0.859 148 H GLU 21 HN GLU 21 13.063 -0.469 1.528 149 HA GLU 21 HA GLU 21 11.909 -2.193 3.368 150 1HB GLU 21 HB2 GLU 21 12.266 0.749 3.420 151 2HB GLU 21 HB1 GLU 21 11.555 -0.087 4.791 152 1HG GLU 21 HG2 GLU 21 13.714 -1.669 4.313 153 2HG GLU 21 HG1 GLU 21 14.349 -0.103 3.806 154 HA PRO 22 HA PRO 22 7.710 0.033 3.206 155 1HB PRO 22 HB2 PRO 22 7.193 1.358 0.845 156 2HB PRO 22 HB1 PRO 22 7.820 2.142 2.295 157 1HG PRO 22 HG2 PRO 22 9.253 1.396 -0.209 158 2HG PRO 22 HG1 PRO 22 9.596 2.710 0.930 159 1HD PRO 22 HD2 PRO 22 10.997 0.304 0.803 160 2HD PRO 22 HD1 PRO 22 10.997 1.389 2.200 161 H VAL 23 HN VAL 23 8.594 -0.475 -0.180 162 HA VAL 23 HA VAL 23 6.460 -2.110 -0.977 163 HB VAL 23 HB VAL 23 9.375 -2.558 -1.671 164 1HG1 VAL 23 HG11 VAL 23 7.921 -2.939 -3.951 165 2HG1 VAL 23 HG12 VAL 23 6.775 -3.495 -2.731 166 3HG1 VAL 23 HG13 VAL 23 8.372 -4.237 -2.845 167 1HG2 VAL 23 HG21 VAL 23 7.454 -0.392 -2.405 168 2HG2 VAL 23 HG22 VAL 23 8.495 -1.013 -3.686 169 3HG2 VAL 23 HG23 VAL 23 9.207 -0.325 -2.227 170 H MET 24 HN MET 24 9.154 -2.775 1.165 171 HA MET 24 HA MET 24 8.871 -5.674 1.094 172 1HB MET 24 HB2 MET 24 10.341 -3.709 2.827 173 2HB MET 24 HB1 MET 24 10.189 -5.388 3.346 174 1HG MET 24 HG2 MET 24 10.922 -5.274 0.552 175 2HG MET 24 HG1 MET 24 12.064 -4.339 1.518 176 1HE MET 24 HE1 MET 24 11.347 -7.456 -0.010 177 2HE MET 24 HE2 MET 24 12.658 -8.442 0.632 178 3HE MET 24 HE3 MET 24 13.015 -6.868 -0.073 179 H MET 25 HN MET 25 7.728 -3.097 3.269 180 HA MET 25 HA MET 25 6.549 -4.795 5.223 181 1HB MET 25 HB2 MET 25 6.146 -1.962 4.349 182 2HB MET 25 HB1 MET 25 4.927 -2.691 5.395 183 1HG MET 25 HG2 MET 25 7.806 -3.040 6.129 184 2HG MET 25 HG1 MET 25 7.056 -1.471 6.423 185 1HE MET 25 HE1 MET 25 7.702 -1.985 9.043 186 2HE MET 25 HE2 MET 25 8.340 -3.518 8.455 187 3HE MET 25 HE3 MET 25 7.244 -3.499 9.835 188 H VAL 26 HN VAL 26 5.211 -3.396 2.228 189 HA VAL 26 HA VAL 26 2.580 -4.488 2.553 190 HB VAL 26 HB VAL 26 4.159 -3.809 0.061 191 1HG1 VAL 26 HG11 VAL 26 2.450 -4.551 -1.235 192 2HG1 VAL 26 HG12 VAL 26 1.241 -3.833 -0.174 193 3HG1 VAL 26 HG13 VAL 26 1.887 -5.431 0.184 194 1HG2 VAL 26 HG21 VAL 26 3.696 -1.752 0.973 195 2HG2 VAL 26 HG22 VAL 26 2.353 -2.374 1.929 196 3HG2 VAL 26 HG23 VAL 26 2.127 -2.028 0.217 197 H ARG 27 HN ARG 27 5.612 -5.862 1.444 198 HA ARG 27 HA ARG 27 4.503 -8.216 0.198 199 1HB ARG 27 HB2 ARG 27 7.197 -7.570 1.376 200 2HB ARG 27 HB1 ARG 27 6.813 -9.212 0.841 201 1HG ARG 27 HG2 ARG 27 6.308 -6.859 -0.965 202 2HG ARG 27 HG1 ARG 27 7.915 -7.574 -0.858 203 1HD ARG 27 HD2 ARG 27 5.385 -9.120 -1.491 204 2HD ARG 27 HD1 ARG 27 6.554 -8.573 -2.693 205 HE ARG 27 HE ARG 27 8.166 -10.001 -1.065 206 1HH1 ARG 27 HH21 ARG 27 5.241 -10.599 -2.750 207 2HH1 ARG 27 HH22 ARG 27 5.311 -12.318 -2.554 208 1HH2 ARG 27 HH11 ARG 27 8.173 -12.241 -0.595 209 2HH2 ARG 27 HH12 ARG 27 6.972 -13.249 -1.332 210 H LYS 28 HN LYS 28 5.969 -7.790 3.391 211 HA LYS 28 HA LYS 28 5.326 -10.391 4.383 212 1HB LYS 28 HB2 LYS 28 5.716 -9.395 6.637 213 2HB LYS 28 HB1 LYS 28 6.999 -8.991 5.497 214 1HG LYS 28 HG2 LYS 28 6.136 -6.787 5.159 215 2HG LYS 28 HG1 LYS 28 4.625 -7.180 5.978 216 1HD LYS 28 HD2 LYS 28 7.155 -7.542 7.519 217 2HD LYS 28 HD1 LYS 28 6.603 -5.891 7.236 218 1HE LYS 28 HE2 LYS 28 4.372 -6.509 8.152 219 2HE LYS 28 HE1 LYS 28 4.992 -8.121 8.509 220 1HZ LYS 28 HZ1 LYS 28 6.795 -6.258 9.541 221 2HZ LYS 28 HZ2 LYS 28 5.803 -7.341 10.396 222 3HZ LYS 28 HZ3 LYS 28 5.244 -5.779 10.032 223 H THR 29 HN THR 29 3.602 -7.378 4.297 224 HA THR 29 HA THR 29 1.369 -8.171 5.967 225 HB THR 29 HB THR 29 2.125 -5.972 4.120 226 HG1 THR 29 HG1 THR 29 1.500 -4.753 5.926 227 1HG2 THR 29 HG21 THR 29 -0.187 -6.632 3.385 228 2HG2 THR 29 HG22 THR 29 -0.059 -4.990 4.005 229 3HG2 THR 29 HG23 THR 29 -0.744 -6.261 5.017 230 H VAL 30 HN VAL 30 2.282 -8.272 2.625 231 HA VAL 30 HA VAL 30 -0.241 -9.146 1.524 232 HB VAL 30 HB VAL 30 2.648 -9.128 0.649 233 1HG1 VAL 30 HG11 VAL 30 1.884 -11.195 -0.254 234 2HG1 VAL 30 HG12 VAL 30 1.824 -10.015 -1.564 235 3HG1 VAL 30 HG13 VAL 30 0.342 -10.488 -0.732 236 1HG2 VAL 30 HG21 VAL 30 0.833 -7.177 0.507 237 2HG2 VAL 30 HG22 VAL 30 0.367 -8.043 -0.956 238 3HG2 VAL 30 HG23 VAL 30 2.009 -7.425 -0.784 239 H ARG 31 HN ARG 31 2.501 -10.586 3.064 240 HA ARG 31 HA ARG 31 1.855 -13.346 2.394 241 1HB ARG 31 HB2 ARG 31 3.684 -12.165 4.506 242 2HB ARG 31 HB1 ARG 31 3.625 -13.869 4.057 243 1HG ARG 31 HG2 ARG 31 4.535 -13.465 1.918 244 2HG ARG 31 HG1 ARG 31 4.131 -11.753 1.966 245 1HD ARG 31 HD2 ARG 31 6.197 -11.328 2.740 246 2HD ARG 31 HD1 ARG 31 5.805 -12.241 4.197 247 HE ARG 31 HE ARG 31 6.774 -13.722 1.806 248 1HH1 ARG 31 HH21 ARG 31 6.368 -14.297 4.945 249 2HH1 ARG 31 HH22 ARG 31 8.024 -14.591 5.358 250 1HH2 ARG 31 HH11 ARG 31 9.265 -13.361 2.362 251 2HH2 ARG 31 HH12 ARG 31 9.665 -14.062 3.894 252 H ASN 32 HN ASN 32 1.177 -11.037 4.967 253 HA ASN 32 HA ASN 32 -0.189 -13.192 6.514 254 1HB ASN 32 HB2 ASN 32 -0.285 -11.624 8.356 255 2HB ASN 32 HB1 ASN 32 1.356 -11.620 7.715 256 1HD2 ASN 32 HD21 ASN 32 1.627 -9.407 8.598 257 2HD2 ASN 32 HD22 ASN 32 0.945 -8.078 7.794 258 H MET 33 HN MET 33 -0.930 -11.139 4.055 259 HA MET 33 HA MET 33 -3.583 -10.322 5.042 260 1HB MET 33 HB2 MET 33 -1.955 -9.804 2.593 261 2HB MET 33 HB1 MET 33 -3.707 -9.704 2.438 262 1HG MET 33 HG2 MET 33 -3.445 -8.279 4.678 263 2HG MET 33 HG1 MET 33 -1.848 -7.979 4.007 264 1HE MET 33 HE1 MET 33 -5.629 -7.753 3.628 265 2HE MET 33 HE2 MET 33 -5.260 -8.698 2.188 266 3HE MET 33 HE3 MET 33 -5.889 -7.062 2.021 267 H GLN 34 HN GLN 34 -5.363 -10.746 3.221 268 HA GLN 34 HA GLN 34 -5.212 -13.578 2.313 269 1HB GLN 34 HB2 GLN 34 -7.493 -12.313 3.868 270 2HB GLN 34 HB1 GLN 34 -7.547 -13.912 3.123 271 1HG GLN 34 HG2 GLN 34 -6.530 -14.804 4.919 272 2HG GLN 34 HG1 GLN 34 -5.158 -13.716 4.698 273 1HE2 GLN 34 HE21 GLN 34 -4.946 -11.972 6.163 274 2HE2 GLN 34 HE22 GLN 34 -6.085 -11.607 7.368 275 HA PRO 35 HA PRO 35 -6.916 -11.837 -1.317 276 1HB PRO 35 HB2 PRO 35 -8.310 -14.015 -2.293 277 2HB PRO 35 HB1 PRO 35 -6.551 -13.831 -2.402 278 1HG PRO 35 HG2 PRO 35 -8.151 -15.553 -0.550 279 2HG PRO 35 HG1 PRO 35 -6.520 -15.813 -1.193 280 1HD PRO 35 HD2 PRO 35 -7.092 -14.899 1.396 281 2HD PRO 35 HD1 PRO 35 -5.528 -14.710 0.573 282 H GLY 36 HN GLY 36 -8.514 -10.432 -1.288 283 1HA GLY 36 HA2 GLY 36 -10.880 -9.864 -1.471 284 2HA GLY 36 HA1 GLY 36 -11.236 -11.242 -0.417 285 H GLU 37 HN GLU 37 -8.484 -9.200 0.229 286 HA GLU 37 HA GLU 37 -9.971 -8.032 2.559 287 1HB GLU 37 HB2 GLU 37 -7.325 -9.392 2.388 288 2HB GLU 37 HB1 GLU 37 -7.471 -8.032 3.490 289 1HG GLU 37 HG2 GLU 37 -8.019 -10.087 4.684 290 2HG GLU 37 HG1 GLU 37 -9.477 -9.109 4.507 291 H THR 38 HN THR 38 -8.265 -6.188 3.491 292 HA THR 38 HA THR 38 -7.337 -4.589 1.163 293 HB THR 38 HB THR 38 -8.413 -2.586 2.520 294 HG1 THR 38 HG1 THR 38 -9.775 -3.210 3.970 295 1HG2 THR 38 HG21 THR 38 -10.643 -3.334 1.205 296 2HG2 THR 38 HG22 THR 38 -9.494 -4.460 0.484 297 3HG2 THR 38 HG23 THR 38 -9.211 -2.723 0.377 298 H LEU 39 HN LEU 39 -5.793 -2.964 1.705 299 HA LEU 39 HA LEU 39 -4.685 -3.018 4.477 300 1HB LEU 39 HB2 LEU 39 -3.343 -4.663 3.350 301 2HB LEU 39 HB1 LEU 39 -3.199 -3.657 1.911 302 HG LEU 39 HG LEU 39 -2.138 -1.947 3.677 303 1HD1 LEU 39 HD11 LEU 39 -1.994 -4.653 4.937 304 2HD1 LEU 39 HD12 LEU 39 -2.203 -3.074 5.693 305 3HD1 LEU 39 HD13 LEU 39 -0.616 -3.566 5.108 306 1HD2 LEU 39 HD21 LEU 39 -0.945 -2.674 1.719 307 2HD2 LEU 39 HD22 LEU 39 -0.793 -4.313 2.351 308 3HD2 LEU 39 HD23 LEU 39 0.104 -2.992 3.100 309 H LEU 40 HN LEU 40 -4.614 -0.853 5.037 310 HA LEU 40 HA LEU 40 -4.436 1.188 2.918 311 1HB LEU 40 HB2 LEU 40 -5.991 1.755 4.632 312 2HB LEU 40 HB1 LEU 40 -4.866 1.300 5.911 313 HG LEU 40 HG LEU 40 -3.355 3.167 5.122 314 1HD1 LEU 40 HD11 LEU 40 -3.884 3.863 3.014 315 2HD1 LEU 40 HD12 LEU 40 -5.022 4.913 3.858 316 3HD1 LEU 40 HD13 LEU 40 -5.573 3.384 3.174 317 1HD2 LEU 40 HD21 LEU 40 -5.866 4.573 5.745 318 2HD2 LEU 40 HD22 LEU 40 -4.350 4.530 6.645 319 3HD2 LEU 40 HD23 LEU 40 -5.519 3.222 6.823 320 H ILE 41 HN ILE 41 -2.603 2.485 2.616 321 HA ILE 41 HA ILE 41 -0.272 1.910 4.389 322 HB ILE 41 HB ILE 41 -0.016 2.116 1.389 323 1HG1 ILE 41 HG12 ILE 41 -0.818 -0.243 3.092 324 2HG1 ILE 41 HG11 ILE 41 -1.452 0.269 1.538 325 1HG2 ILE 41 HG21 ILE 41 1.789 1.954 3.557 326 2HG2 ILE 41 HG22 ILE 41 2.170 1.823 1.841 327 3HG2 ILE 41 HG23 ILE 41 1.829 0.374 2.781 328 1HD1 ILE 41 HD11 ILE 41 1.255 -0.238 1.042 329 2HD1 ILE 41 HD12 ILE 41 -0.110 -1.251 0.575 330 3HD1 ILE 41 HD13 ILE 41 0.729 -1.550 2.094 331 H ILE 42 HN ILE 42 1.323 3.606 4.433 332 HA ILE 42 HA ILE 42 0.519 6.121 3.080 333 HB ILE 42 HB ILE 42 1.917 6.218 5.724 334 1HG1 ILE 42 HG12 ILE 42 -0.986 5.564 5.261 335 2HG1 ILE 42 HG11 ILE 42 0.130 4.872 6.442 336 1HG2 ILE 42 HG21 ILE 42 -0.275 8.069 4.982 337 2HG2 ILE 42 HG22 ILE 42 1.122 8.101 3.912 338 3HG2 ILE 42 HG23 ILE 42 1.324 8.425 5.631 339 1HD1 ILE 42 HD11 ILE 42 -1.387 6.385 7.586 340 2HD1 ILE 42 HD12 ILE 42 -0.993 7.679 6.452 341 3HD1 ILE 42 HD13 ILE 42 0.233 7.086 7.575 342 H ALA 43 HN ALA 43 2.478 7.520 2.859 343 HA ALA 43 HA ALA 43 5.072 6.270 3.209 344 1HB ALA 43 HB1 ALA 43 5.347 5.278 1.208 345 2HB ALA 43 HB2 ALA 43 4.867 6.752 0.369 346 3HB ALA 43 HB3 ALA 43 3.643 5.585 0.870 347 H ASP 44 HN ASP 44 6.510 7.895 3.394 348 HA ASP 44 HA ASP 44 5.673 10.523 2.283 349 1HB ASP 44 HB2 ASP 44 6.892 11.620 3.945 350 2HB ASP 44 HB1 ASP 44 6.232 10.257 4.825 351 H ASP 45 HN ASP 45 7.955 7.939 2.308 352 HA ASP 45 HA ASP 45 10.072 9.204 0.865 353 1HB ASP 45 HB2 ASP 45 10.587 7.127 1.715 354 2HB ASP 45 HB1 ASP 45 9.052 6.448 1.219 355 HA PRO 46 HA PRO 46 7.959 9.892 -2.954 356 1HB PRO 46 HB2 PRO 46 10.179 10.385 -4.498 357 2HB PRO 46 HB1 PRO 46 9.500 11.558 -3.356 358 1HG PRO 46 HG2 PRO 46 11.966 9.902 -3.107 359 2HG PRO 46 HG1 PRO 46 11.576 11.454 -2.346 360 1HD PRO 46 HD2 PRO 46 11.459 8.915 -1.098 361 2HD PRO 46 HD1 PRO 46 10.777 10.421 -0.464 362 H ALA 47 HN ALA 47 10.334 7.453 -2.499 363 HA ALA 47 HA ALA 47 9.889 6.231 -5.155 364 1HB ALA 47 HB1 ALA 47 11.572 5.366 -2.785 365 2HB ALA 47 HB2 ALA 47 12.151 6.132 -4.264 366 3HB ALA 47 HB3 ALA 47 11.494 4.497 -4.318 367 H THR 48 HN THR 48 8.224 6.246 -2.279 368 HA THR 48 HA THR 48 7.484 3.390 -2.328 369 HB THR 48 HB THR 48 5.829 4.241 -0.512 370 HG1 THR 48 HG1 THR 48 7.505 6.337 -0.031 371 1HG2 THR 48 HG21 THR 48 8.434 3.351 -0.457 372 2HG2 THR 48 HG22 THR 48 7.401 3.552 0.958 373 3HG2 THR 48 HG23 THR 48 8.519 4.833 0.492 374 H THR 49 HN THR 49 6.029 6.538 -3.090 375 HA THR 49 HA THR 49 3.401 5.626 -3.681 376 HB THR 49 HB THR 49 3.045 7.692 -4.660 377 HG1 THR 49 HG1 THR 49 4.204 8.341 -6.296 378 1HG2 THR 49 HG21 THR 49 4.652 7.817 -2.525 379 2HG2 THR 49 HG22 THR 49 4.140 9.262 -3.396 380 3HG2 THR 49 HG23 THR 49 5.727 8.560 -3.708 381 H ARG 50 HN ARG 50 6.400 5.482 -5.472 382 HA ARG 50 HA ARG 50 4.969 4.396 -7.838 383 1HB ARG 50 HB2 ARG 50 7.806 5.266 -7.336 384 2HB ARG 50 HB1 ARG 50 7.341 4.410 -8.806 385 1HG ARG 50 HG2 ARG 50 5.441 6.506 -8.313 386 2HG ARG 50 HG1 ARG 50 7.067 7.185 -8.257 387 1HD ARG 50 HD2 ARG 50 7.517 6.657 -10.462 388 2HD ARG 50 HD1 ARG 50 6.424 5.274 -10.463 389 HE ARG 50 HE ARG 50 4.864 7.635 -10.149 390 1HH1 ARG 50 HH21 ARG 50 4.186 5.619 -12.183 391 2HH1 ARG 50 HH22 ARG 50 4.554 6.423 -13.673 392 1HH2 ARG 50 HH11 ARG 50 6.509 8.866 -12.175 393 2HH2 ARG 50 HH12 ARG 50 5.869 8.263 -13.668 394 H ASP 51 HN ASP 51 7.349 3.330 -5.442 395 HA ASP 51 HA ASP 51 7.614 0.729 -6.768 396 1HB ASP 51 HB2 ASP 51 8.724 1.704 -4.123 397 2HB ASP 51 HB1 ASP 51 9.207 0.228 -4.965 398 H ILE 52 HN ILE 52 6.272 1.817 -3.626 399 HA ILE 52 HA ILE 52 5.635 -0.743 -2.657 400 HB ILE 52 HB ILE 52 4.593 1.990 -2.147 401 1HG1 ILE 52 HG12 ILE 52 5.753 -0.302 -0.566 402 2HG1 ILE 52 HG11 ILE 52 6.446 1.294 -0.849 403 1HG2 ILE 52 HG21 ILE 52 2.508 0.625 -2.317 404 2HG2 ILE 52 HG22 ILE 52 2.808 1.181 -0.670 405 3HG2 ILE 52 HG23 ILE 52 3.168 -0.487 -1.117 406 1HD1 ILE 52 HD11 ILE 52 5.486 1.008 1.458 407 2HD1 ILE 52 HD12 ILE 52 3.898 0.814 0.720 408 3HD1 ILE 52 HD13 ILE 52 4.766 2.339 0.552 409 HA PRO 53 HA PRO 53 1.468 -0.582 -4.879 410 1HB PRO 53 HB2 PRO 53 1.259 1.189 -6.966 411 2HB PRO 53 HB1 PRO 53 0.703 1.509 -5.314 412 1HG PRO 53 HG2 PRO 53 3.104 2.556 -6.734 413 2HG PRO 53 HG1 PRO 53 2.194 3.276 -5.395 414 1HD PRO 53 HD2 PRO 53 4.662 1.934 -5.173 415 2HD PRO 53 HD1 PRO 53 3.575 2.328 -3.824 416 H GLY 54 HN GLY 54 4.027 0.498 -7.149 417 1HA GLY 54 HA2 GLY 54 3.406 -1.244 -9.259 418 2HA GLY 54 HA1 GLY 54 5.066 -0.766 -8.860 419 H PHE 55 HN PHE 55 4.679 -1.922 -6.085 420 HA PHE 55 HA PHE 55 5.552 -4.623 -6.767 421 1HB PHE 55 HB2 PHE 55 6.663 -3.958 -4.864 422 2HB PHE 55 HB1 PHE 55 5.318 -2.975 -4.290 423 HD1 PHE 55 HD1 PHE 55 5.403 -6.583 -5.301 424 HD2 PHE 55 HD2 PHE 55 4.828 -3.749 -2.134 425 HE1 PHE 55 HE1 PHE 55 4.654 -8.405 -3.812 426 HE2 PHE 55 HE2 PHE 55 4.080 -5.578 -0.650 427 HZ PHE 55 HZ PHE 55 3.979 -7.903 -1.490 428 H CYS 56 HN CYS 56 2.718 -3.288 -4.962 429 HA CYS 56 HA CYS 56 1.433 -5.762 -4.549 430 1HB CYS 56 HB2 CYS 56 0.419 -2.961 -4.934 431 2HB CYS 56 HB1 CYS 56 -0.716 -4.300 -4.753 432 HG CYS 56 HG CYS 56 1.099 -3.188 -2.535 433 H THR 57 HN THR 57 1.386 -3.672 -7.417 434 HA THR 57 HA THR 57 -0.601 -5.140 -8.854 435 HB THR 57 HB THR 57 1.788 -3.694 -10.027 436 HG1 THR 57 HG1 THR 57 -0.782 -2.708 -9.341 437 1HG2 THR 57 HG21 THR 57 -0.777 -3.513 -11.394 438 2HG2 THR 57 HG22 THR 57 -0.244 -5.186 -11.222 439 3HG2 THR 57 HG23 THR 57 0.793 -4.007 -12.025 440 H PHE 58 HN PHE 58 2.860 -5.645 -8.441 441 HA PHE 58 HA PHE 58 3.130 -7.646 -10.493 442 1HB PHE 58 HB2 PHE 58 4.963 -6.274 -9.285 443 2HB PHE 58 HB1 PHE 58 4.857 -7.509 -8.031 444 HD1 PHE 58 HD1 PHE 58 6.393 -6.627 -11.089 445 HD2 PHE 58 HD2 PHE 58 4.900 -10.009 -8.904 446 HE1 PHE 58 HE1 PHE 58 7.809 -8.136 -12.458 447 HE2 PHE 58 HE2 PHE 58 6.314 -11.519 -10.272 448 HZ PHE 58 HZ PHE 58 7.768 -10.583 -12.050 449 H MET 59 HN MET 59 2.378 -7.856 -7.008 450 HA MET 59 HA MET 59 2.491 -10.775 -7.113 451 1HB MET 59 HB2 MET 59 1.917 -8.784 -4.997 452 2HB MET 59 HB1 MET 59 1.471 -10.462 -4.737 453 1HG MET 59 HG2 MET 59 4.239 -9.459 -5.459 454 2HG MET 59 HG1 MET 59 3.731 -10.013 -3.864 455 1HE MET 59 HE1 MET 59 6.291 -11.321 -5.441 456 2HE MET 59 HE2 MET 59 5.456 -10.643 -6.837 457 3HE MET 59 HE3 MET 59 5.831 -12.365 -6.794 458 H GLU 60 HN GLU 60 0.282 -8.803 -8.391 459 HA GLU 60 HA GLU 60 -1.857 -9.372 -9.232 460 1HB GLU 60 HB2 GLU 60 -2.004 -11.659 -7.276 461 2HB GLU 60 HB1 GLU 60 -2.808 -11.490 -8.836 462 1HG GLU 60 HG2 GLU 60 -0.146 -11.273 -9.524 463 2HG GLU 60 HG1 GLU 60 -0.104 -12.465 -8.224 464 H HIS 61 HN HIS 61 -1.237 -7.747 -6.771 465 HA HIS 61 HA HIS 61 -3.726 -8.069 -5.211 466 1HB HIS 61 HB2 HIS 61 -1.477 -6.078 -4.807 467 2HB HIS 61 HB1 HIS 61 -2.715 -6.549 -3.648 468 HD1 HIS 61 HD1 HIS 61 -2.306 -9.655 -4.796 469 HD2 HIS 61 HD2 HIS 61 0.439 -7.187 -2.863 470 HE1 HIS 61 HE1 HIS 61 -0.541 -11.176 -3.823 471 H GLU 62 HN GLU 62 -4.776 -5.777 -4.682 472 HA GLU 62 HA GLU 62 -4.847 -4.259 -7.261 473 1HB GLU 62 HB2 GLU 62 -7.009 -5.296 -5.513 474 2HB GLU 62 HB1 GLU 62 -7.276 -3.743 -6.283 475 1HG GLU 62 HG2 GLU 62 -7.368 -4.654 -8.390 476 2HG GLU 62 HG1 GLU 62 -6.182 -5.903 -8.012 477 H LEU 63 HN LEU 63 -4.856 -2.079 -7.136 478 HA LEU 63 HA LEU 63 -4.239 -0.829 -4.529 479 1HB LEU 63 HB2 LEU 63 -2.898 0.161 -6.181 480 2HB LEU 63 HB1 LEU 63 -4.140 0.010 -7.419 481 HG LEU 63 HG LEU 63 -5.459 1.784 -6.144 482 1HD1 LEU 63 HD11 LEU 63 -3.227 3.057 -4.921 483 2HD1 LEU 63 HD12 LEU 63 -3.278 1.400 -4.318 484 3HD1 LEU 63 HD13 LEU 63 -4.686 2.447 -4.139 485 1HD2 LEU 63 HD21 LEU 63 -3.452 1.988 -8.049 486 2HD2 LEU 63 HD22 LEU 63 -2.982 3.180 -6.839 487 3HD2 LEU 63 HD23 LEU 63 -4.571 3.273 -7.597 488 H VAL 64 HN VAL 64 -6.189 -0.772 -3.348 489 HA VAL 64 HA VAL 64 -8.693 -0.432 -4.658 490 HB VAL 64 HB VAL 64 -7.806 -0.318 -1.775 491 1HG1 VAL 64 HG11 VAL 64 -9.828 0.934 -1.882 492 2HG1 VAL 64 HG12 VAL 64 -10.288 -0.699 -1.393 493 3HG1 VAL 64 HG13 VAL 64 -10.524 -0.175 -3.060 494 1HG2 VAL 64 HG21 VAL 64 -8.111 -2.558 -1.807 495 2HG2 VAL 64 HG22 VAL 64 -8.059 -2.416 -3.565 496 3HG2 VAL 64 HG23 VAL 64 -9.609 -2.422 -2.725 497 H ALA 65 HN ALA 65 -6.724 1.893 -2.674 498 HA ALA 65 HA ALA 65 -8.036 4.030 -4.283 499 1HB ALA 65 HB1 ALA 65 -8.183 5.186 -1.809 500 2HB ALA 65 HB2 ALA 65 -8.575 3.508 -1.430 501 3HB ALA 65 HB3 ALA 65 -9.536 4.392 -2.617 502 H LYS 66 HN LYS 66 -6.496 5.617 -4.795 503 HA LYS 66 HA LYS 66 -3.955 5.444 -3.312 504 1HB LYS 66 HB2 LYS 66 -4.371 7.199 -5.674 505 2HB LYS 66 HB1 LYS 66 -2.928 6.316 -5.183 506 1HG LYS 66 HG2 LYS 66 -3.615 4.946 -6.837 507 2HG LYS 66 HG1 LYS 66 -4.584 4.254 -5.566 508 1HD LYS 66 HD2 LYS 66 -6.402 4.694 -6.822 509 2HD LYS 66 HD1 LYS 66 -6.089 6.408 -6.548 510 1HE LYS 66 HE2 LYS 66 -5.692 6.634 -8.751 511 2HE LYS 66 HE1 LYS 66 -4.276 5.600 -8.557 512 1HZ LYS 66 HZ1 LYS 66 -6.923 4.353 -8.764 513 2HZ LYS 66 HZ2 LYS 66 -5.406 3.756 -9.244 514 3HZ LYS 66 HZ3 LYS 66 -6.190 4.940 -10.177 515 H GLU 67 HN GLU 67 -2.864 7.408 -2.774 516 HA GLU 67 HA GLU 67 -4.598 9.763 -2.320 517 1HB GLU 67 HB2 GLU 67 -3.254 8.079 -0.324 518 2HB GLU 67 HB1 GLU 67 -3.217 9.798 -0.046 519 1HG GLU 67 HG2 GLU 67 -5.754 8.280 -0.667 520 2HG GLU 67 HG1 GLU 67 -5.202 8.589 0.980 521 H THR 68 HN THR 68 -3.554 11.336 -3.436 522 HA THR 68 HA THR 68 -0.623 11.692 -2.964 523 HB THR 68 HB THR 68 -0.283 12.199 -5.335 524 HG1 THR 68 HG1 THR 68 -1.980 12.021 -6.773 525 1HG2 THR 68 HG21 THR 68 -0.351 9.767 -4.398 526 2HG2 THR 68 HG22 THR 68 -0.331 9.998 -6.147 527 3HG2 THR 68 HG23 THR 68 -1.845 9.627 -5.324 528 H ASP 69 HN ASP 69 -3.043 12.953 -1.859 529 HA ASP 69 HA ASP 69 -3.306 15.552 -3.159 530 1HB ASP 69 HB2 ASP 69 -4.194 14.662 -0.409 531 2HB ASP 69 HB1 ASP 69 -4.739 16.115 -1.250 532 H GLY 70 HN GLY 70 -0.819 14.317 -1.566 533 1HA GLY 70 HA2 GLY 70 0.988 16.085 -1.265 534 2HA GLY 70 HA1 GLY 70 -0.130 16.779 -0.121 535 H LEU 71 HN LEU 71 2.491 15.144 -0.216 536 HA LEU 71 HA LEU 71 2.532 12.807 1.121 537 1HB LEU 71 HB2 LEU 71 4.197 15.217 1.868 538 2HB LEU 71 HB1 LEU 71 4.537 13.576 2.374 539 HG LEU 71 HG LEU 71 4.123 14.013 -0.510 540 1HD1 LEU 71 HD11 LEU 71 6.585 14.592 -0.709 541 2HD1 LEU 71 HD12 LEU 71 6.569 14.911 1.027 542 3HD1 LEU 71 HD13 LEU 71 5.576 15.883 -0.058 543 1HD2 LEU 71 HD21 LEU 71 4.558 11.778 0.216 544 2HD2 LEU 71 HD22 LEU 71 5.880 12.307 1.255 545 3HD2 LEU 71 HD23 LEU 71 6.065 12.351 -0.498 546 HA PRO 72 HA PRO 72 3.403 11.746 2.531 547 1HB PRO 72 HB2 PRO 72 2.417 9.700 4.039 548 2HB PRO 72 HB1 PRO 72 3.652 10.821 4.646 549 1HG PRO 72 HG2 PRO 72 0.744 10.704 5.264 550 2HG PRO 72 HG1 PRO 72 2.075 11.258 6.299 551 1HD PRO 72 HD2 PRO 72 0.287 12.929 4.887 552 2HD PRO 72 HD1 PRO 72 1.851 13.438 5.565 553 H TYR 73 HN TYR 73 2.834 10.179 1.004 554 HA TYR 73 HA TYR 73 0.232 10.278 -0.187 555 1HB TYR 73 HB2 TYR 73 2.145 8.056 -0.645 556 2HB TYR 73 HB1 TYR 73 1.039 8.796 -1.794 557 HD1 TYR 73 HD1 TYR 73 4.297 8.723 -0.440 558 HD2 TYR 73 HD2 TYR 73 1.515 11.239 -2.485 559 HE1 TYR 73 HE1 TYR 73 6.186 10.091 -1.270 560 HE2 TYR 73 HE2 TYR 73 3.366 12.668 -3.282 561 HH TYR 73 HH TYR 73 6.720 11.708 -2.883 562 H ARG 74 HN ARG 74 -1.126 8.260 -0.539 563 HA ARG 74 HA ARG 74 -0.662 6.121 1.378 564 1HB ARG 74 HB2 ARG 74 -2.910 8.058 1.600 565 2HB ARG 74 HB1 ARG 74 -3.226 6.353 1.934 566 1HG ARG 74 HG2 ARG 74 -1.708 6.253 3.674 567 2HG ARG 74 HG1 ARG 74 -0.851 7.677 3.144 568 1HD ARG 74 HD2 ARG 74 -3.247 7.455 4.855 569 2HD ARG 74 HD1 ARG 74 -2.022 8.720 4.805 570 HE ARG 74 HE ARG 74 -4.460 8.608 3.116 571 1HH1 ARG 74 HH11 ARG 74 -1.299 9.847 3.243 572 2HH1 ARG 74 HH12 ARG 74 -1.754 11.475 2.867 573 1HH2 ARG 74 HH21 ARG 74 -5.159 10.830 2.978 574 2HH2 ARG 74 HH22 ARG 74 -3.939 12.032 2.716 575 H TYR 75 HN TYR 75 -1.854 4.260 0.830 576 HA TYR 75 HA TYR 75 -3.413 4.356 -1.638 577 1HB TYR 75 HB2 TYR 75 -1.219 2.379 -1.642 578 2HB TYR 75 HB1 TYR 75 -2.004 3.189 -2.998 579 HD1 TYR 75 HD1 TYR 75 -1.509 5.741 -3.280 580 HD2 TYR 75 HD2 TYR 75 0.750 3.114 -0.821 581 HE1 TYR 75 HE1 TYR 75 0.404 7.314 -3.403 582 HE2 TYR 75 HE2 TYR 75 2.695 4.674 -0.910 583 HH TYR 75 HH TYR 75 3.459 6.600 -1.696 584 H LEU 76 HN LEU 76 -5.085 2.894 -1.318 585 HA LEU 76 HA LEU 76 -4.727 0.995 0.813 586 1HB LEU 76 HB2 LEU 76 -6.916 2.105 0.610 587 2HB LEU 76 HB1 LEU 76 -7.116 1.417 -0.987 588 HG LEU 76 HG LEU 76 -6.689 -0.848 0.156 589 1HD1 LEU 76 HD11 LEU 76 -6.545 -0.954 2.400 590 2HD1 LEU 76 HD12 LEU 76 -7.871 0.189 2.617 591 3HD1 LEU 76 HD13 LEU 76 -6.232 0.780 2.338 592 1HD2 LEU 76 HD21 LEU 76 -8.852 -0.993 -0.282 593 2HD2 LEU 76 HD22 LEU 76 -8.979 0.767 -0.246 594 3HD2 LEU 76 HD23 LEU 76 -9.215 -0.167 1.231 595 H ILE 77 HN ILE 77 -4.901 -1.388 0.255 596 HA ILE 77 HA ILE 77 -4.873 -1.915 -2.636 597 HB ILE 77 HB ILE 77 -2.761 -2.978 -0.756 598 1HG1 ILE 77 HG12 ILE 77 -2.858 -0.549 -2.531 599 2HG1 ILE 77 HG11 ILE 77 -2.283 -0.679 -0.873 600 1HG2 ILE 77 HG21 ILE 77 -1.939 -4.138 -2.552 601 2HG2 ILE 77 HG22 ILE 77 -2.339 -2.851 -3.688 602 3HG2 ILE 77 HG23 ILE 77 -3.586 -3.981 -3.161 603 1HD1 ILE 77 HD11 ILE 77 -0.917 -1.976 -3.246 604 2HD1 ILE 77 HD12 ILE 77 -0.320 -1.908 -1.588 605 3HD1 ILE 77 HD13 ILE 77 -0.434 -0.432 -2.544 606 H ARG 78 HN ARG 78 -6.622 -3.262 -2.755 607 HA ARG 78 HA ARG 78 -7.311 -5.069 -0.588 608 1HB ARG 78 HB2 ARG 78 -9.134 -4.346 -1.911 609 2HB ARG 78 HB1 ARG 78 -8.286 -4.687 -3.417 610 1HG ARG 78 HG2 ARG 78 -8.754 -6.939 -3.334 611 2HG ARG 78 HG1 ARG 78 -8.757 -6.982 -1.571 612 1HD ARG 78 HD2 ARG 78 -10.885 -5.336 -2.061 613 2HD ARG 78 HD1 ARG 78 -10.973 -6.428 -3.441 614 HE ARG 78 HE ARG 78 -10.595 -8.043 -1.163 615 1HH1 ARG 78 HH21 ARG 78 -12.972 -7.577 -3.250 616 2HH1 ARG 78 HH22 ARG 78 -14.290 -7.523 -2.129 617 1HH2 ARG 78 HH11 ARG 78 -12.254 -7.209 0.659 618 2HH2 ARG 78 HH12 ARG 78 -13.885 -7.314 0.083 619 H LYS 79 HN LYS 79 -6.131 -6.898 -0.151 620 HA LYS 79 HA LYS 79 -4.214 -8.071 -1.914 621 1HB LYS 79 HB2 LYS 79 -4.060 -8.664 0.400 622 2HB LYS 79 HB1 LYS 79 -5.742 -9.192 0.454 623 1HG LYS 79 HG2 LYS 79 -5.257 -11.236 -0.413 624 2HG LYS 79 HG1 LYS 79 -4.133 -10.567 -1.593 625 1HD LYS 79 HD2 LYS 79 -3.572 -11.141 1.328 626 2HD LYS 79 HD1 LYS 79 -2.881 -11.966 -0.065 627 1HE LYS 79 HE2 LYS 79 -2.355 -9.156 0.895 628 2HE LYS 79 HE1 LYS 79 -1.196 -10.439 0.559 629 1HZ LYS 79 HZ1 LYS 79 -2.311 -10.220 -1.817 630 2HZ LYS 79 HZ2 LYS 79 -0.979 -9.278 -1.346 631 3HZ LYS 79 HZ3 LYS 79 -2.547 -8.629 -1.280 632 H GLY 80 HN GLY 80 -4.463 -9.628 -3.501 633 1HA GLY 80 HA2 GLY 80 -6.711 -11.364 -3.787 634 2HA GLY 80 HA1 GLY 80 -6.951 -9.947 -4.813 635 H GLY 81 HN GLY 81 -6.786 -11.870 -6.439 636 1HA GLY 81 HA2 GLY 81 -3.955 -11.965 -7.367 637 2HA GLY 81 HA1 GLY 81 -4.891 -13.458 -7.287 Start of MODEL 6 1 1H MET 1 HT1 MET 1 -14.697 12.376 -2.201 2 2H MET 1 HT2 MET 1 -15.883 13.442 -2.785 3 3H MET 1 HT3 MET 1 -16.052 11.768 -3.021 4 HA MET 1 HA MET 1 -16.035 13.098 -0.367 5 1HB MET 1 HB2 MET 1 -18.130 12.750 -2.361 6 2HB MET 1 HB1 MET 1 -18.533 11.939 -0.847 7 1HG MET 1 HG2 MET 1 -19.029 13.922 0.088 8 2HG MET 1 HG1 MET 1 -17.380 14.474 -0.208 9 1HE MET 1 HE1 MET 1 -20.633 14.221 -3.249 10 2HE MET 1 HE2 MET 1 -21.264 15.048 -1.828 11 3HE MET 1 HE3 MET 1 -20.513 13.465 -1.655 12 H THR 2 HN THR 2 -17.174 10.188 -2.130 13 HA THR 2 HA THR 2 -17.278 8.459 0.089 14 HB THR 2 HB THR 2 -16.617 6.685 -1.766 15 HG1 THR 2 HG1 THR 2 -15.835 8.401 -3.144 16 1HG2 THR 2 HG21 THR 2 -19.021 8.066 -1.016 17 2HG2 THR 2 HG22 THR 2 -18.837 6.405 -1.581 18 3HG2 THR 2 HG23 THR 2 -19.076 7.710 -2.743 19 H ASP 3 HN ASP 3 -15.733 7.304 1.224 20 HA ASP 3 HA ASP 3 -12.893 7.782 0.414 21 1HB ASP 3 HB2 ASP 3 -12.484 7.255 2.924 22 2HB ASP 3 HB1 ASP 3 -13.162 8.831 2.510 23 H LEU 4 HN LEU 4 -12.428 5.915 -0.741 24 HA LEU 4 HA LEU 4 -13.393 3.298 0.018 25 1HB LEU 4 HB2 LEU 4 -10.948 3.904 -1.664 26 2HB LEU 4 HB1 LEU 4 -11.955 2.457 -1.714 27 HG LEU 4 HG LEU 4 -13.258 5.106 -2.203 28 1HD1 LEU 4 HD11 LEU 4 -11.252 3.765 -3.964 29 2HD1 LEU 4 HD12 LEU 4 -11.616 5.481 -3.784 30 3HD1 LEU 4 HD13 LEU 4 -12.688 4.447 -4.727 31 1HD2 LEU 4 HD21 LEU 4 -14.240 3.336 -4.009 32 2HD2 LEU 4 HD22 LEU 4 -14.874 3.489 -2.370 33 3HD2 LEU 4 HD23 LEU 4 -13.709 2.222 -2.750 34 H PHE 5 HN PHE 5 -11.117 5.313 1.413 35 HA PHE 5 HA PHE 5 -9.255 3.223 2.285 36 1HB PHE 5 HB2 PHE 5 -9.468 6.186 2.574 37 2HB PHE 5 HB1 PHE 5 -8.553 5.308 3.799 38 HD1 PHE 5 HD1 PHE 5 -6.568 6.644 2.860 39 HD2 PHE 5 HD2 PHE 5 -8.673 3.673 0.591 40 HE1 PHE 5 HE1 PHE 5 -4.672 6.440 1.290 41 HE2 PHE 5 HE2 PHE 5 -6.731 3.492 -0.938 42 HZ PHE 5 HZ PHE 5 -4.740 4.926 -0.612 43 H SER 6 HN SER 6 -12.267 3.430 3.047 44 HA SER 6 HA SER 6 -12.712 4.014 5.710 45 1HB SER 6 HB2 SER 6 -14.550 3.143 4.504 46 2HB SER 6 HB1 SER 6 -13.665 1.700 4.023 47 HG SER 6 HG SER 6 -15.166 2.129 6.205 48 H SER 7 HN SER 7 -12.942 2.212 7.515 49 HA SER 7 HA SER 7 -10.430 1.504 8.458 50 1HB SER 7 HB2 SER 7 -11.812 -0.517 9.531 51 2HB SER 7 HB1 SER 7 -12.046 1.146 10.061 52 HG SER 7 HG SER 7 -13.583 -0.351 8.206 53 HA PRO 8 HA PRO 8 -9.507 -1.554 5.255 54 1HB PRO 8 HB2 PRO 8 -6.795 -1.425 5.648 55 2HB PRO 8 HB1 PRO 8 -7.693 -0.288 4.630 56 1HG PRO 8 HG2 PRO 8 -6.563 0.128 7.363 57 2HG PRO 8 HG1 PRO 8 -6.845 1.310 6.074 58 1HD PRO 8 HD2 PRO 8 -8.485 0.936 8.334 59 2HD PRO 8 HD1 PRO 8 -8.944 1.810 6.858 60 H ASP 9 HN ASP 9 -8.278 -3.670 5.407 61 HA ASP 9 HA ASP 9 -8.788 -4.911 8.011 62 1HB ASP 9 HB2 ASP 9 -7.650 -5.997 5.417 63 2HB ASP 9 HB1 ASP 9 -7.961 -6.982 6.846 64 H HIS 10 HN HIS 10 -6.071 -3.596 6.288 65 HA HIS 10 HA HIS 10 -4.342 -4.219 8.619 66 1HB HIS 10 HB2 HIS 10 -3.873 -5.054 5.765 67 2HB HIS 10 HB1 HIS 10 -2.511 -4.728 6.831 68 HD1 HIS 10 HD1 HIS 10 -1.740 -6.719 8.118 69 HD2 HIS 10 HD2 HIS 10 -5.785 -6.989 7.152 70 HE1 HIS 10 HE1 HIS 10 -2.539 -8.953 9.002 71 H THR 11 HN THR 11 -2.120 -2.971 8.202 72 HA THR 11 HA THR 11 -2.555 -0.504 6.617 73 HB THR 11 HB THR 11 -1.805 -0.490 9.541 74 HG1 THR 11 HG1 THR 11 -3.940 0.782 9.406 75 1HG2 THR 11 HG21 THR 11 -0.777 1.394 8.589 76 2HG2 THR 11 HG22 THR 11 -2.332 2.031 9.124 77 3HG2 THR 11 HG23 THR 11 -2.082 1.631 7.426 78 H LEU 12 HN LEU 12 -0.504 0.740 6.412 79 HA LEU 12 HA LEU 12 1.964 -0.708 7.175 80 1HB LEU 12 HB2 LEU 12 1.622 -1.681 5.023 81 2HB LEU 12 HB1 LEU 12 1.121 -0.141 4.339 82 HG LEU 12 HG LEU 12 3.354 0.729 4.314 83 1HD1 LEU 12 HD11 LEU 12 5.166 -0.766 5.519 84 2HD1 LEU 12 HD12 LEU 12 3.788 -1.354 6.450 85 3HD1 LEU 12 HD13 LEU 12 4.195 0.360 6.464 86 1HD2 LEU 12 HD21 LEU 12 4.758 -1.393 3.589 87 2HD2 LEU 12 HD22 LEU 12 3.437 -0.813 2.584 88 3HD2 LEU 12 HD23 LEU 12 3.192 -2.195 3.652 89 H ASP 13 HN ASP 13 2.969 0.953 8.247 90 HA ASP 13 HA ASP 13 2.695 3.726 7.361 91 1HB ASP 13 HB2 ASP 13 3.135 2.977 9.771 92 2HB ASP 13 HB1 ASP 13 4.783 2.613 9.258 93 H ALA 14 HN ALA 14 4.119 4.790 5.926 94 HA ALA 14 HA ALA 14 6.654 3.366 5.323 95 1HB ALA 14 HB1 ALA 14 6.242 2.935 3.148 96 2HB ALA 14 HB2 ALA 14 5.273 4.394 2.932 97 3HB ALA 14 HB3 ALA 14 4.560 2.960 3.673 98 H LEU 15 HN LEU 15 5.498 5.782 6.597 99 HA LEU 15 HA LEU 15 6.670 8.048 5.212 100 1HB LEU 15 HB2 LEU 15 5.926 8.067 8.099 101 2HB LEU 15 HB1 LEU 15 5.728 9.296 6.864 102 HG LEU 15 HG LEU 15 4.107 6.764 7.101 103 1HD1 LEU 15 HD11 LEU 15 2.286 8.661 7.216 104 2HD1 LEU 15 HD12 LEU 15 3.643 9.636 7.785 105 3HD1 LEU 15 HD13 LEU 15 3.169 8.183 8.665 106 1HD2 LEU 15 HD21 LEU 15 3.071 7.316 5.089 107 2HD2 LEU 15 HD22 LEU 15 4.734 7.783 4.753 108 3HD2 LEU 15 HD23 LEU 15 3.544 9.006 5.192 109 H GLY 16 HN GLY 16 8.795 7.885 5.103 110 1HA GLY 16 HA2 GLY 16 10.969 8.232 6.176 111 2HA GLY 16 HA1 GLY 16 10.330 7.423 7.616 112 H LEU 17 HN LEU 17 9.056 5.704 5.180 113 HA LEU 17 HA LEU 17 11.139 3.618 5.296 114 1HB LEU 17 HB2 LEU 17 8.291 3.636 4.251 115 2HB LEU 17 HB1 LEU 17 9.369 2.250 4.142 116 HG LEU 17 HG LEU 17 8.011 3.420 6.522 117 1HD1 LEU 17 HD11 LEU 17 7.583 1.221 5.088 118 2HD1 LEU 17 HD12 LEU 17 7.381 1.200 6.840 119 3HD1 LEU 17 HD13 LEU 17 8.862 0.575 6.114 120 1HD2 LEU 17 HD21 LEU 17 10.408 3.599 7.069 121 2HD2 LEU 17 HD22 LEU 17 10.627 1.904 6.628 122 3HD2 LEU 17 HD23 LEU 17 9.625 2.333 8.016 123 H ARG 18 HN ARG 18 12.028 2.830 3.332 124 HA ARG 18 HA ARG 18 11.158 4.285 0.907 125 1HB ARG 18 HB2 ARG 18 13.662 4.635 0.367 126 2HB ARG 18 HB1 ARG 18 12.856 5.713 1.509 127 1HG ARG 18 HG2 ARG 18 13.727 4.388 3.396 128 2HG ARG 18 HG1 ARG 18 14.534 3.303 2.262 129 1HD ARG 18 HD2 ARG 18 15.469 5.706 1.394 130 2HD ARG 18 HD1 ARG 18 15.283 6.038 3.116 131 HE ARG 18 HE ARG 18 16.901 3.740 2.082 132 1HH1 ARG 18 HH21 ARG 18 17.869 6.625 2.936 133 2HH1 ARG 18 HH22 ARG 18 18.574 6.236 4.470 134 1HH2 ARG 18 HH11 ARG 18 17.117 3.094 4.641 135 2HH2 ARG 18 HH12 ARG 18 18.147 4.236 5.435 136 H CYS 19 HN CYS 19 11.593 3.157 -0.990 137 HA CYS 19 HA CYS 19 11.466 0.371 -0.918 138 1HB CYS 19 HB2 CYS 19 11.043 1.454 -2.982 139 2HB CYS 19 HB1 CYS 19 12.641 2.193 -3.019 140 HG CYS 19 HG CYS 19 13.094 0.178 -4.456 141 HA PRO 20 HA PRO 20 11.905 -1.398 -1.627 142 1HB PRO 20 HB2 PRO 20 12.794 -3.808 -0.705 143 2HB PRO 20 HB1 PRO 20 13.328 -3.118 -2.249 144 1HG PRO 20 HG2 PRO 20 14.823 -3.354 0.313 145 2HG PRO 20 HG1 PRO 20 15.446 -3.235 -1.337 146 1HD PRO 20 HD2 PRO 20 15.299 -1.140 0.594 147 2HD PRO 20 HD1 PRO 20 15.754 -0.984 -1.116 148 H GLU 21 HN GLU 21 12.967 -0.497 1.391 149 HA GLU 21 HA GLU 21 11.902 -2.283 3.231 150 1HB GLU 21 HB2 GLU 21 12.216 0.662 3.346 151 2HB GLU 21 HB1 GLU 21 11.560 -0.220 4.715 152 1HG GLU 21 HG2 GLU 21 13.552 -1.533 4.936 153 2HG GLU 21 HG1 GLU 21 14.176 -0.966 3.386 154 HA PRO 22 HA PRO 22 7.672 -0.116 3.250 155 1HB PRO 22 HB2 PRO 22 7.060 1.238 0.934 156 2HB PRO 22 HB1 PRO 22 7.721 2.007 2.373 157 1HG PRO 22 HG2 PRO 22 9.084 1.322 -0.188 158 2HG PRO 22 HG1 PRO 22 9.439 2.629 0.956 159 1HD PRO 22 HD2 PRO 22 10.883 0.255 0.759 160 2HD PRO 22 HD1 PRO 22 10.896 1.315 2.174 161 H VAL 23 HN VAL 23 8.432 -0.556 -0.185 162 HA VAL 23 HA VAL 23 6.304 -2.216 -0.933 163 HB VAL 23 HB VAL 23 9.230 -2.320 -1.700 164 1HG1 VAL 23 HG11 VAL 23 8.213 -3.568 -3.758 165 2HG1 VAL 23 HG12 VAL 23 6.871 -3.926 -2.670 166 3HG1 VAL 23 HG13 VAL 23 8.498 -4.479 -2.275 167 1HG2 VAL 23 HG21 VAL 23 7.587 -0.332 -2.240 168 2HG2 VAL 23 HG22 VAL 23 6.952 -1.440 -3.455 169 3HG2 VAL 23 HG23 VAL 23 8.644 -0.952 -3.507 170 H MET 24 HN MET 24 9.088 -2.876 1.100 171 HA MET 24 HA MET 24 8.823 -5.775 1.019 172 1HB MET 24 HB2 MET 24 10.341 -3.809 2.709 173 2HB MET 24 HB1 MET 24 10.221 -5.489 3.228 174 1HG MET 24 HG2 MET 24 10.911 -5.093 0.376 175 2HG MET 24 HG1 MET 24 12.142 -4.576 1.530 176 1HE MET 24 HE1 MET 24 13.612 -7.926 0.502 177 2HE MET 24 HE2 MET 24 13.674 -6.166 0.440 178 3HE MET 24 HE3 MET 24 12.556 -7.039 -0.605 179 H MET 25 HN MET 25 7.746 -3.233 3.268 180 HA MET 25 HA MET 25 6.633 -4.969 5.229 181 1HB MET 25 HB2 MET 25 6.226 -2.115 4.431 182 2HB MET 25 HB1 MET 25 5.034 -2.854 5.501 183 1HG MET 25 HG2 MET 25 8.027 -2.833 5.995 184 2HG MET 25 HG1 MET 25 6.870 -1.749 6.769 185 1HE MET 25 HE1 MET 25 8.123 -2.869 9.106 186 2HE MET 25 HE2 MET 25 9.022 -3.760 7.881 187 3HE MET 25 HE3 MET 25 8.282 -4.627 9.224 188 H VAL 26 HN VAL 26 5.211 -3.518 2.295 189 HA VAL 26 HA VAL 26 2.582 -4.604 2.699 190 HB VAL 26 HB VAL 26 4.062 -3.933 0.142 191 1HG1 VAL 26 HG11 VAL 26 1.172 -3.856 -0.036 192 2HG1 VAL 26 HG12 VAL 26 1.700 -5.458 0.471 193 3HG1 VAL 26 HG13 VAL 26 2.311 -4.763 -1.027 194 1HG2 VAL 26 HG21 VAL 26 3.693 -1.876 1.104 195 2HG2 VAL 26 HG22 VAL 26 2.332 -2.455 2.063 196 3HG2 VAL 26 HG23 VAL 26 2.116 -2.103 0.350 197 H ARG 27 HN ARG 27 5.567 -5.959 1.476 198 HA ARG 27 HA ARG 27 4.409 -8.291 0.233 199 1HB ARG 27 HB2 ARG 27 7.050 -7.280 0.725 200 2HB ARG 27 HB1 ARG 27 6.963 -8.958 1.281 201 1HG ARG 27 HG2 ARG 27 5.574 -8.792 -1.203 202 2HG ARG 27 HG1 ARG 27 7.141 -8.009 -1.408 203 1HD ARG 27 HD2 ARG 27 7.305 -10.470 0.157 204 2HD ARG 27 HD1 ARG 27 6.675 -10.741 -1.467 205 HE ARG 27 HE ARG 27 9.383 -10.365 -0.953 206 1HH1 ARG 27 HH11 ARG 27 7.191 -9.935 -3.414 207 2HH1 ARG 27 HH12 ARG 27 8.138 -8.799 -4.317 208 1HH2 ARG 27 HH21 ARG 27 10.507 -8.382 -1.820 209 2HH2 ARG 27 HH22 ARG 27 10.013 -7.920 -3.414 210 H LYS 28 HN LYS 28 6.100 -7.944 3.333 211 HA LYS 28 HA LYS 28 5.500 -10.526 4.349 212 1HB LYS 28 HB2 LYS 28 5.832 -7.946 5.920 213 2HB LYS 28 HB1 LYS 28 5.970 -9.577 6.576 214 1HG LYS 28 HG2 LYS 28 7.754 -9.871 4.652 215 2HG LYS 28 HG1 LYS 28 7.833 -8.111 4.740 216 1HD LYS 28 HD2 LYS 28 7.900 -8.797 7.395 217 2HD LYS 28 HD1 LYS 28 8.789 -10.131 6.661 218 1HE LYS 28 HE2 LYS 28 10.371 -8.370 7.185 219 2HE LYS 28 HE1 LYS 28 10.185 -8.440 5.433 220 1HZ LYS 28 HZ1 LYS 28 8.265 -6.718 6.662 221 2HZ LYS 28 HZ2 LYS 28 9.344 -6.400 5.389 222 3HZ LYS 28 HZ3 LYS 28 9.855 -6.232 7.000 223 H THR 29 HN THR 29 3.717 -7.534 4.344 224 HA THR 29 HA THR 29 1.521 -8.385 6.029 225 HB THR 29 HB THR 29 2.206 -6.164 4.178 226 HG1 THR 29 HG1 THR 29 2.493 -5.400 6.090 227 1HG2 THR 29 HG21 THR 29 -0.010 -5.212 4.133 228 2HG2 THR 29 HG22 THR 29 -0.645 -6.535 5.111 229 3HG2 THR 29 HG23 THR 29 -0.095 -6.840 3.463 230 H VAL 30 HN VAL 30 2.390 -8.470 2.678 231 HA VAL 30 HA VAL 30 -0.146 -9.381 1.627 232 HB VAL 30 HB VAL 30 2.717 -9.283 0.682 233 1HG1 VAL 30 HG11 VAL 30 1.873 -11.396 -0.157 234 2HG1 VAL 30 HG12 VAL 30 1.998 -10.230 -1.476 235 3HG1 VAL 30 HG13 VAL 30 0.424 -10.596 -0.768 236 1HG2 VAL 30 HG21 VAL 30 0.866 -7.374 0.602 237 2HG2 VAL 30 HG22 VAL 30 0.372 -8.241 -0.850 238 3HG2 VAL 30 HG23 VAL 30 2.005 -7.590 -0.727 239 H ARG 31 HN ARG 31 2.632 -10.760 3.150 240 HA ARG 31 HA ARG 31 2.065 -13.532 2.459 241 1HB ARG 31 HB2 ARG 31 3.832 -12.355 4.631 242 2HB ARG 31 HB1 ARG 31 3.826 -14.042 4.119 243 1HG ARG 31 HG2 ARG 31 4.395 -13.200 1.774 244 2HG ARG 31 HG1 ARG 31 4.680 -11.628 2.508 245 1HD ARG 31 HD2 ARG 31 6.669 -13.344 2.217 246 2HD ARG 31 HD1 ARG 31 6.557 -12.336 3.660 247 HE ARG 31 HE ARG 31 5.536 -14.319 4.810 248 1HH1 ARG 31 HH21 ARG 31 4.906 -16.078 2.548 249 2HH1 ARG 31 HH22 ARG 31 6.262 -17.154 2.493 250 1HH2 ARG 31 HH11 ARG 31 8.290 -15.130 4.443 251 2HH2 ARG 31 HH12 ARG 31 8.177 -16.618 3.565 252 H ASN 32 HN ASN 32 1.329 -11.245 5.034 253 HA ASN 32 HA ASN 32 -0.061 -13.419 6.536 254 1HB ASN 32 HB2 ASN 32 -0.165 -11.864 8.403 255 2HB ASN 32 HB1 ASN 32 1.488 -11.913 7.797 256 1HD2 ASN 32 HD21 ASN 32 1.878 -9.721 8.645 257 2HD2 ASN 32 HD22 ASN 32 1.230 -8.361 7.865 258 H MET 33 HN MET 33 -0.783 -11.446 4.065 259 HA MET 33 HA MET 33 -3.437 -10.605 5.082 260 1HB MET 33 HB2 MET 33 -1.743 -9.876 2.739 261 2HB MET 33 HB1 MET 33 -3.490 -9.780 2.532 262 1HG MET 33 HG2 MET 33 -3.309 -8.569 4.907 263 2HG MET 33 HG1 MET 33 -1.705 -8.183 4.306 264 1HE MET 33 HE1 MET 33 -5.527 -7.912 3.820 265 2HE MET 33 HE2 MET 33 -5.045 -8.805 2.380 266 3HE MET 33 HE3 MET 33 -5.686 -7.172 2.220 267 H GLN 34 HN GLN 34 -5.252 -10.933 3.402 268 HA GLN 34 HA GLN 34 -5.067 -13.641 2.162 269 1HB GLN 34 HB2 GLN 34 -7.382 -12.555 3.802 270 2HB GLN 34 HB1 GLN 34 -7.362 -14.105 2.962 271 1HG GLN 34 HG2 GLN 34 -5.113 -13.542 4.838 272 2HG GLN 34 HG1 GLN 34 -6.690 -13.895 5.547 273 1HE2 GLN 34 HE21 GLN 34 -6.175 -16.039 6.286 274 2HE2 GLN 34 HE22 GLN 34 -5.833 -17.315 5.220 275 HA PRO 35 HA PRO 35 -6.800 -11.602 -1.295 276 1HB PRO 35 HB2 PRO 35 -8.161 -13.705 -2.454 277 2HB PRO 35 HB1 PRO 35 -6.405 -13.490 -2.545 278 1HG PRO 35 HG2 PRO 35 -7.985 -15.386 -0.852 279 2HG PRO 35 HG1 PRO 35 -6.350 -15.567 -1.509 280 1HD PRO 35 HD2 PRO 35 -6.942 -14.885 1.147 281 2HD PRO 35 HD1 PRO 35 -5.378 -14.612 0.349 282 H GLY 36 HN GLY 36 -8.473 -10.243 -1.250 283 1HA GLY 36 HA2 GLY 36 -10.879 -9.807 -1.405 284 2HA GLY 36 HA1 GLY 36 -11.142 -11.202 -0.348 285 H GLU 37 HN GLU 37 -8.429 -9.211 0.375 286 HA GLU 37 HA GLU 37 -9.960 -7.985 2.640 287 1HB GLU 37 HB2 GLU 37 -7.322 -9.376 2.511 288 2HB GLU 37 HB1 GLU 37 -7.477 -8.018 3.620 289 1HG GLU 37 HG2 GLU 37 -9.700 -9.196 4.347 290 2HG GLU 37 HG1 GLU 37 -8.974 -10.625 3.610 291 H THR 38 HN THR 38 -8.277 -6.111 3.561 292 HA THR 38 HA THR 38 -7.303 -4.592 1.195 293 HB THR 38 HB THR 38 -8.343 -2.544 2.540 294 HG1 THR 38 HG1 THR 38 -9.549 -3.261 4.088 295 1HG2 THR 38 HG21 THR 38 -8.814 -3.313 0.191 296 2HG2 THR 38 HG22 THR 38 -10.217 -2.632 1.016 297 3HG2 THR 38 HG23 THR 38 -10.055 -4.381 0.848 298 H LEU 39 HN LEU 39 -5.770 -2.917 1.729 299 HA LEU 39 HA LEU 39 -4.648 -2.964 4.485 300 1HB LEU 39 HB2 LEU 39 -3.376 -4.690 3.402 301 2HB LEU 39 HB1 LEU 39 -3.183 -3.723 1.943 302 HG LEU 39 HG LEU 39 -2.056 -2.023 3.678 303 1HD1 LEU 39 HD11 LEU 39 -1.997 -4.723 4.975 304 2HD1 LEU 39 HD12 LEU 39 -2.219 -3.136 5.711 305 3HD1 LEU 39 HD13 LEU 39 -0.619 -3.639 5.168 306 1HD2 LEU 39 HD21 LEU 39 0.137 -3.141 3.116 307 2HD2 LEU 39 HD22 LEU 39 -0.912 -2.869 1.725 308 3HD2 LEU 39 HD23 LEU 39 -0.789 -4.478 2.435 309 H LEU 40 HN LEU 40 -4.507 -0.792 4.985 310 HA LEU 40 HA LEU 40 -4.242 1.190 2.824 311 1HB LEU 40 HB2 LEU 40 -5.755 1.784 4.627 312 2HB LEU 40 HB1 LEU 40 -4.506 1.474 5.835 313 HG LEU 40 HG LEU 40 -3.125 3.284 4.820 314 1HD1 LEU 40 HD11 LEU 40 -5.624 3.880 3.207 315 2HD1 LEU 40 HD12 LEU 40 -4.184 3.103 2.547 316 3HD1 LEU 40 HD13 LEU 40 -4.094 4.757 3.152 317 1HD2 LEU 40 HD21 LEU 40 -4.111 4.744 6.239 318 2HD2 LEU 40 HD22 LEU 40 -5.350 3.512 6.483 319 3HD2 LEU 40 HD23 LEU 40 -5.593 4.781 5.282 320 H ILE 41 HN ILE 41 -2.388 2.547 2.616 321 HA ILE 41 HA ILE 41 -0.037 1.828 4.298 322 HB ILE 41 HB ILE 41 0.168 1.969 1.296 323 1HG1 ILE 41 HG12 ILE 41 -0.779 -0.315 3.027 324 2HG1 ILE 41 HG11 ILE 41 -1.418 0.253 1.495 325 1HG2 ILE 41 HG21 ILE 41 2.002 1.697 3.410 326 2HG2 ILE 41 HG22 ILE 41 2.324 1.469 1.690 327 3HG2 ILE 41 HG23 ILE 41 1.875 0.094 2.692 328 1HD1 ILE 41 HD11 ILE 41 0.661 -1.712 1.989 329 2HD1 ILE 41 HD12 ILE 41 1.206 -0.448 0.887 330 3HD1 ILE 41 HD13 ILE 41 -0.238 -1.387 0.509 331 H ILE 42 HN ILE 42 0.889 3.767 4.971 332 HA ILE 42 HA ILE 42 0.430 6.118 3.224 333 HB ILE 42 HB ILE 42 1.808 6.249 5.887 334 1HG1 ILE 42 HG12 ILE 42 -1.151 5.915 5.365 335 2HG1 ILE 42 HG11 ILE 42 -0.133 5.003 6.482 336 1HG2 ILE 42 HG21 ILE 42 0.944 8.078 3.908 337 2HG2 ILE 42 HG22 ILE 42 1.582 8.465 5.502 338 3HG2 ILE 42 HG23 ILE 42 -0.155 8.285 5.266 339 1HD1 ILE 42 HD11 ILE 42 -1.452 7.579 6.853 340 2HD1 ILE 42 HD12 ILE 42 0.264 7.625 7.256 341 3HD1 ILE 42 HD13 ILE 42 -0.799 6.468 8.058 342 H ALA 43 HN ALA 43 2.383 7.503 2.938 343 HA ALA 43 HA ALA 43 4.984 6.252 3.274 344 1HB ALA 43 HB1 ALA 43 3.666 5.265 1.140 345 2HB ALA 43 HB2 ALA 43 5.412 5.517 1.137 346 3HB ALA 43 HB3 ALA 43 4.346 6.714 0.400 347 H ASP 44 HN ASP 44 6.367 7.923 3.503 348 HA ASP 44 HA ASP 44 5.535 10.513 2.305 349 1HB ASP 44 HB2 ASP 44 6.925 11.644 3.910 350 2HB ASP 44 HB1 ASP 44 5.929 10.506 4.806 351 H ASP 45 HN ASP 45 7.810 7.926 2.392 352 HA ASP 45 HA ASP 45 9.984 9.183 1.032 353 1HB ASP 45 HB2 ASP 45 10.430 7.082 1.885 354 2HB ASP 45 HB1 ASP 45 8.908 6.435 1.307 355 HA PRO 46 HA PRO 46 8.004 9.928 -2.848 356 1HB PRO 46 HB2 PRO 46 10.277 10.363 -4.331 357 2HB PRO 46 HB1 PRO 46 9.602 11.552 -3.204 358 1HG PRO 46 HG2 PRO 46 12.013 9.830 -2.894 359 2HG PRO 46 HG1 PRO 46 11.645 11.389 -2.139 360 1HD PRO 46 HD2 PRO 46 11.426 8.850 -0.904 361 2HD PRO 46 HD1 PRO 46 10.770 10.372 -0.281 362 H ALA 47 HN ALA 47 10.306 7.427 -2.341 363 HA ALA 47 HA ALA 47 9.895 6.218 -5.008 364 1HB ALA 47 HB1 ALA 47 12.132 6.136 -3.916 365 2HB ALA 47 HB2 ALA 47 11.499 4.525 -4.259 366 3HB ALA 47 HB3 ALA 47 11.437 5.166 -2.617 367 H THR 48 HN THR 48 8.147 6.263 -2.180 368 HA THR 48 HA THR 48 7.362 3.422 -2.246 369 HB THR 48 HB THR 48 5.601 4.381 -0.540 370 HG1 THR 48 HG1 THR 48 5.961 6.547 -1.007 371 1HG2 THR 48 HG21 THR 48 8.575 4.360 0.037 372 2HG2 THR 48 HG22 THR 48 7.503 2.961 0.066 373 3HG2 THR 48 HG23 THR 48 7.297 4.250 1.249 374 H THR 49 HN THR 49 5.932 6.586 -3.039 375 HA THR 49 HA THR 49 3.339 5.692 -3.749 376 HB THR 49 HB THR 49 3.032 7.751 -4.757 377 HG1 THR 49 HG1 THR 49 5.724 7.765 -5.622 378 1HG2 THR 49 HG21 THR 49 4.029 9.284 -3.402 379 2HG2 THR 49 HG22 THR 49 5.651 8.688 -3.752 380 3HG2 THR 49 HG23 THR 49 4.638 7.851 -2.576 381 H ARG 50 HN ARG 50 6.396 5.519 -5.458 382 HA ARG 50 HA ARG 50 5.017 4.437 -7.853 383 1HB ARG 50 HB2 ARG 50 7.851 5.276 -7.277 384 2HB ARG 50 HB1 ARG 50 7.414 4.425 -8.758 385 1HG ARG 50 HG2 ARG 50 5.521 6.535 -8.347 386 2HG ARG 50 HG1 ARG 50 7.144 7.208 -8.196 387 1HD ARG 50 HD2 ARG 50 7.486 5.605 -10.362 388 2HD ARG 50 HD1 ARG 50 5.792 6.050 -10.565 389 HE ARG 50 HE ARG 50 6.861 8.484 -10.141 390 1HH1 ARG 50 HH11 ARG 50 7.695 5.840 -12.187 391 2HH1 ARG 50 HH12 ARG 50 8.658 6.800 -13.257 392 1HH2 ARG 50 HH21 ARG 50 8.230 9.728 -11.453 393 2HH2 ARG 50 HH22 ARG 50 8.959 8.998 -12.845 394 H ASP 51 HN ASP 51 7.314 3.359 -5.388 395 HA ASP 51 HA ASP 51 7.574 0.744 -6.699 396 1HB ASP 51 HB2 ASP 51 8.672 1.761 -4.063 397 2HB ASP 51 HB1 ASP 51 9.133 0.249 -4.851 398 H ILE 52 HN ILE 52 6.247 1.887 -3.578 399 HA ILE 52 HA ILE 52 5.542 -0.624 -2.553 400 HB ILE 52 HB ILE 52 4.540 2.138 -2.158 401 1HG1 ILE 52 HG12 ILE 52 5.575 -0.114 -0.441 402 2HG1 ILE 52 HG11 ILE 52 6.374 1.411 -0.828 403 1HG2 ILE 52 HG21 ILE 52 2.747 1.368 -0.629 404 2HG2 ILE 52 HG22 ILE 52 3.039 -0.295 -1.137 405 3HG2 ILE 52 HG23 ILE 52 2.417 0.883 -2.292 406 1HD1 ILE 52 HD11 ILE 52 4.464 0.823 1.284 407 2HD1 ILE 52 HD12 ILE 52 3.922 2.168 0.282 408 3HD1 ILE 52 HD13 ILE 52 5.495 2.237 1.076 409 HA PRO 53 HA PRO 53 1.391 -0.475 -4.797 410 1HB PRO 53 HB2 PRO 53 1.186 1.295 -6.884 411 2HB PRO 53 HB1 PRO 53 0.624 1.611 -5.233 412 1HG PRO 53 HG2 PRO 53 3.036 2.658 -6.644 413 2HG PRO 53 HG1 PRO 53 2.112 3.388 -5.320 414 1HD PRO 53 HD2 PRO 53 4.578 2.063 -5.048 415 2HD PRO 53 HD1 PRO 53 3.457 2.431 -3.719 416 H GLY 54 HN GLY 54 3.967 0.598 -7.047 417 1HA GLY 54 HA2 GLY 54 3.344 -1.142 -9.160 418 2HA GLY 54 HA1 GLY 54 5.003 -0.666 -8.756 419 H PHE 55 HN PHE 55 4.581 -1.827 -5.976 420 HA PHE 55 HA PHE 55 5.488 -4.518 -6.652 421 1HB PHE 55 HB2 PHE 55 6.559 -3.829 -4.720 422 2HB PHE 55 HB1 PHE 55 5.170 -2.902 -4.155 423 HD1 PHE 55 HD1 PHE 55 5.351 -6.478 -5.247 424 HD2 PHE 55 HD2 PHE 55 4.699 -3.747 -2.007 425 HE1 PHE 55 HE1 PHE 55 4.642 -8.358 -3.814 426 HE2 PHE 55 HE2 PHE 55 3.984 -5.636 -0.580 427 HZ PHE 55 HZ PHE 55 3.947 -7.937 -1.483 428 H CYS 56 HN CYS 56 2.639 -3.220 -4.851 429 HA CYS 56 HA CYS 56 1.355 -5.718 -4.504 430 1HB CYS 56 HB2 CYS 56 0.335 -2.903 -4.788 431 2HB CYS 56 HB1 CYS 56 -0.778 -4.254 -4.562 432 HG CYS 56 HG CYS 56 1.087 -3.114 -2.419 433 H THR 57 HN THR 57 1.319 -3.551 -7.301 434 HA THR 57 HA THR 57 -0.746 -4.955 -8.719 435 HB THR 57 HB THR 57 1.564 -3.412 -9.915 436 HG1 THR 57 HG1 THR 57 0.677 -1.945 -8.640 437 1HG2 THR 57 HG21 THR 57 0.527 -3.911 -11.843 438 2HG2 THR 57 HG22 THR 57 -0.880 -3.014 -11.272 439 3HG2 THR 57 HG23 THR 57 -0.759 -4.748 -10.973 440 H PHE 58 HN PHE 58 2.734 -5.437 -8.470 441 HA PHE 58 HA PHE 58 2.876 -7.335 -10.657 442 1HB PHE 58 HB2 PHE 58 4.750 -5.900 -9.422 443 2HB PHE 58 HB1 PHE 58 4.896 -7.371 -8.459 444 HD1 PHE 58 HD1 PHE 58 5.954 -5.753 -11.412 445 HD2 PHE 58 HD2 PHE 58 4.926 -9.628 -9.868 446 HE1 PHE 58 HE1 PHE 58 7.237 -6.823 -13.245 447 HE2 PHE 58 HE2 PHE 58 6.210 -10.698 -11.701 448 HZ PHE 58 HZ PHE 58 7.365 -9.296 -13.388 449 H MET 59 HN MET 59 2.276 -7.650 -7.176 450 HA MET 59 HA MET 59 2.618 -10.557 -7.308 451 1HB MET 59 HB2 MET 59 2.093 -8.596 -5.181 452 2HB MET 59 HB1 MET 59 1.512 -10.231 -4.903 453 1HG MET 59 HG2 MET 59 4.354 -9.462 -5.633 454 2HG MET 59 HG1 MET 59 3.801 -9.963 -4.035 455 1HE MET 59 HE1 MET 59 6.167 -12.431 -5.779 456 2HE MET 59 HE2 MET 59 5.608 -12.599 -4.116 457 3HE MET 59 HE3 MET 59 5.973 -11.000 -4.760 458 H GLU 60 HN GLU 60 0.246 -8.675 -8.460 459 HA GLU 60 HA GLU 60 -1.860 -9.380 -9.294 460 1HB GLU 60 HB2 GLU 60 -0.839 -11.780 -8.544 461 2HB GLU 60 HB1 GLU 60 -2.180 -11.638 -7.407 462 1HG GLU 60 HG2 GLU 60 -3.762 -11.325 -9.205 463 2HG GLU 60 HG1 GLU 60 -2.462 -11.213 -10.392 464 H HIS 61 HN HIS 61 -1.206 -7.788 -6.801 465 HA HIS 61 HA HIS 61 -3.678 -8.168 -5.223 466 1HB HIS 61 HB2 HIS 61 -1.408 -6.197 -4.806 467 2HB HIS 61 HB1 HIS 61 -2.662 -6.633 -3.653 468 HD1 HIS 61 HD1 HIS 61 -2.136 -9.728 -5.031 469 HD2 HIS 61 HD2 HIS 61 0.289 -7.369 -2.598 470 HE1 HIS 61 HE1 HIS 61 -0.458 -11.289 -3.971 471 H GLU 62 HN GLU 62 -4.736 -5.867 -4.653 472 HA GLU 62 HA GLU 62 -4.818 -4.347 -7.230 473 1HB GLU 62 HB2 GLU 62 -6.973 -5.385 -5.479 474 2HB GLU 62 HB1 GLU 62 -7.244 -3.836 -6.255 475 1HG GLU 62 HG2 GLU 62 -6.137 -5.986 -7.981 476 2HG GLU 62 HG1 GLU 62 -7.807 -6.199 -7.453 477 H LEU 63 HN LEU 63 -4.804 -2.180 -7.120 478 HA LEU 63 HA LEU 63 -4.205 -0.901 -4.522 479 1HB LEU 63 HB2 LEU 63 -2.855 0.070 -6.181 480 2HB LEU 63 HB1 LEU 63 -4.093 -0.091 -7.421 481 HG LEU 63 HG LEU 63 -5.415 1.692 -6.156 482 1HD1 LEU 63 HD11 LEU 63 -4.538 2.745 -4.333 483 2HD1 LEU 63 HD12 LEU 63 -2.892 2.674 -4.963 484 3HD1 LEU 63 HD13 LEU 63 -3.595 1.263 -4.170 485 1HD2 LEU 63 HD21 LEU 63 -4.531 3.182 -7.616 486 2HD2 LEU 63 HD22 LEU 63 -3.441 1.877 -8.086 487 3HD2 LEU 63 HD23 LEU 63 -2.928 3.066 -6.888 488 H VAL 64 HN VAL 64 -6.163 -0.812 -3.351 489 HA VAL 64 HA VAL 64 -8.655 -0.505 -4.696 490 HB VAL 64 HB VAL 64 -7.800 -0.359 -1.806 491 1HG1 VAL 64 HG11 VAL 64 -9.828 0.888 -1.952 492 2HG1 VAL 64 HG12 VAL 64 -10.286 -0.739 -1.443 493 3HG1 VAL 64 HG13 VAL 64 -10.506 -0.244 -3.119 494 1HG2 VAL 64 HG21 VAL 64 -8.027 -2.475 -3.576 495 2HG2 VAL 64 HG22 VAL 64 -9.585 -2.479 -2.750 496 3HG2 VAL 64 HG23 VAL 64 -8.094 -2.600 -1.818 497 H ALA 65 HN ALA 65 -6.725 1.851 -2.710 498 HA ALA 65 HA ALA 65 -8.027 3.968 -4.358 499 1HB ALA 65 HB1 ALA 65 -8.683 3.419 -1.567 500 2HB ALA 65 HB2 ALA 65 -9.500 4.470 -2.724 501 3HB ALA 65 HB3 ALA 65 -8.120 5.073 -1.806 502 H LYS 66 HN LYS 66 -6.469 5.550 -4.876 503 HA LYS 66 HA LYS 66 -3.955 5.393 -3.340 504 1HB LYS 66 HB2 LYS 66 -4.312 7.109 -5.740 505 2HB LYS 66 HB1 LYS 66 -2.885 6.221 -5.206 506 1HG LYS 66 HG2 LYS 66 -3.551 4.832 -6.849 507 2HG LYS 66 HG1 LYS 66 -4.555 4.171 -5.589 508 1HD LYS 66 HD2 LYS 66 -6.343 4.617 -6.883 509 2HD LYS 66 HD1 LYS 66 -6.006 6.331 -6.642 510 1HE LYS 66 HE2 LYS 66 -5.004 6.567 -8.695 511 2HE LYS 66 HE1 LYS 66 -4.375 4.920 -8.694 512 1HZ LYS 66 HZ1 LYS 66 -6.848 4.277 -8.874 513 2HZ LYS 66 HZ2 LYS 66 -6.041 4.829 -10.264 514 3HZ LYS 66 HZ3 LYS 66 -7.070 5.873 -9.404 515 H GLU 67 HN GLU 67 -2.872 7.373 -2.814 516 HA GLU 67 HA GLU 67 -4.617 9.738 -2.479 517 1HB GLU 67 HB2 GLU 67 -3.364 8.103 -0.383 518 2HB GLU 67 HB1 GLU 67 -3.334 9.827 -0.151 519 1HG GLU 67 HG2 GLU 67 -5.928 9.312 -1.022 520 2HG GLU 67 HG1 GLU 67 -5.571 7.973 0.069 521 H THR 68 HN THR 68 -3.515 11.263 -3.607 522 HA THR 68 HA THR 68 -0.604 11.611 -3.024 523 HB THR 68 HB THR 68 -0.165 12.036 -5.397 524 HG1 THR 68 HG1 THR 68 -2.901 11.368 -5.730 525 1HG2 THR 68 HG21 THR 68 -0.907 9.690 -6.282 526 2HG2 THR 68 HG22 THR 68 -1.493 9.447 -4.637 527 3HG2 THR 68 HG23 THR 68 0.215 9.776 -4.925 528 H ASP 69 HN ASP 69 -3.016 12.934 -2.034 529 HA ASP 69 HA ASP 69 -3.236 15.486 -3.434 530 1HB ASP 69 HB2 ASP 69 -4.170 14.713 -0.666 531 2HB ASP 69 HB1 ASP 69 -4.695 16.132 -1.574 532 H GLY 70 HN GLY 70 -0.786 14.290 -1.760 533 1HA GLY 70 HA2 GLY 70 1.034 16.050 -1.497 534 2HA GLY 70 HA1 GLY 70 -0.094 16.794 -0.394 535 H LEU 71 HN LEU 71 2.514 15.151 -0.378 536 HA LEU 71 HA LEU 71 2.528 12.854 1.023 537 1HB LEU 71 HB2 LEU 71 4.157 15.283 1.787 538 2HB LEU 71 HB1 LEU 71 4.514 13.635 2.261 539 HG LEU 71 HG LEU 71 4.119 14.133 -0.616 540 1HD1 LEU 71 HD11 LEU 71 5.726 15.906 0.629 541 2HD1 LEU 71 HD12 LEU 71 6.072 15.286 -0.985 542 3HD1 LEU 71 HD13 LEU 71 6.867 14.578 0.420 543 1HD2 LEU 71 HD21 LEU 71 6.052 12.483 -0.644 544 2HD2 LEU 71 HD22 LEU 71 4.564 11.888 0.094 545 3HD2 LEU 71 HD23 LEU 71 5.903 12.416 1.111 546 HA PRO 72 HA PRO 72 3.341 11.820 2.464 547 1HB PRO 72 HB2 PRO 72 2.328 9.825 4.020 548 2HB PRO 72 HB1 PRO 72 3.557 10.962 4.609 549 1HG PRO 72 HG2 PRO 72 0.646 10.864 5.199 550 2HG PRO 72 HG1 PRO 72 1.965 11.457 6.226 551 1HD PRO 72 HD2 PRO 72 0.185 13.069 4.728 552 2HD PRO 72 HD1 PRO 72 1.729 13.610 5.425 553 H TYR 73 HN TYR 73 2.779 10.193 0.984 554 HA TYR 73 HA TYR 73 0.177 10.275 -0.227 555 1HB TYR 73 HB2 TYR 73 2.079 8.036 -0.630 556 2HB TYR 73 HB1 TYR 73 0.984 8.764 -1.796 557 HD1 TYR 73 HD1 TYR 73 4.221 8.697 -0.407 558 HD2 TYR 73 HD2 TYR 73 1.491 11.175 -2.557 559 HE1 TYR 73 HE1 TYR 73 6.128 10.041 -1.221 560 HE2 TYR 73 HE2 TYR 73 3.365 12.577 -3.355 561 HH TYR 73 HH TYR 73 6.424 11.661 -3.434 562 H ARG 74 HN ARG 74 -1.209 8.293 -0.511 563 HA ARG 74 HA ARG 74 -0.738 6.173 1.437 564 1HB ARG 74 HB2 ARG 74 -3.079 8.046 1.530 565 2HB ARG 74 HB1 ARG 74 -3.254 6.358 2.031 566 1HG ARG 74 HG2 ARG 74 -1.901 6.580 3.823 567 2HG ARG 74 HG1 ARG 74 -0.909 7.800 3.068 568 1HD ARG 74 HD2 ARG 74 -3.703 8.613 3.576 569 2HD ARG 74 HD1 ARG 74 -2.738 8.331 5.024 570 HE ARG 74 HE ARG 74 -1.054 9.919 3.654 571 1HH1 ARG 74 HH21 ARG 74 -3.078 10.928 1.801 572 2HH1 ARG 74 HH22 ARG 74 -3.772 12.268 2.652 573 1HH2 ARG 74 HH11 ARG 74 -2.544 11.286 5.742 574 2HH2 ARG 74 HH12 ARG 74 -3.470 12.470 4.883 575 H TYR 75 HN TYR 75 -1.863 4.288 0.856 576 HA TYR 75 HA TYR 75 -3.393 4.360 -1.636 577 1HB TYR 75 HB2 TYR 75 -1.188 2.399 -1.613 578 2HB TYR 75 HB1 TYR 75 -1.973 3.197 -2.974 579 HD1 TYR 75 HD1 TYR 75 -1.536 5.795 -3.187 580 HD2 TYR 75 HD2 TYR 75 0.804 3.109 -0.874 581 HE1 TYR 75 HE1 TYR 75 0.369 7.378 -3.322 582 HE2 TYR 75 HE2 TYR 75 2.742 4.676 -0.976 583 HH TYR 75 HH TYR 75 3.356 6.790 -1.519 584 H LEU 76 HN LEU 76 -5.067 2.916 -1.317 585 HA LEU 76 HA LEU 76 -4.735 1.009 0.807 586 1HB LEU 76 HB2 LEU 76 -6.914 2.119 0.599 587 2HB LEU 76 HB1 LEU 76 -7.099 1.464 -1.012 588 HG LEU 76 HG LEU 76 -6.715 -0.825 0.060 589 1HD1 LEU 76 HD11 LEU 76 -7.854 -0.112 2.573 590 2HD1 LEU 76 HD12 LEU 76 -6.402 0.859 2.332 591 3HD1 LEU 76 HD13 LEU 76 -6.309 -0.900 2.258 592 1HD2 LEU 76 HD21 LEU 76 -8.889 -0.963 -0.293 593 2HD2 LEU 76 HD22 LEU 76 -8.969 0.799 -0.322 594 3HD2 LEU 76 HD23 LEU 76 -9.219 -0.071 1.191 595 H ILE 77 HN ILE 77 -4.911 -1.368 0.265 596 HA ILE 77 HA ILE 77 -4.864 -1.924 -2.624 597 HB ILE 77 HB ILE 77 -2.769 -2.974 -0.724 598 1HG1 ILE 77 HG12 ILE 77 -2.841 -0.541 -2.498 599 2HG1 ILE 77 HG11 ILE 77 -2.333 -0.658 -0.817 600 1HG2 ILE 77 HG21 ILE 77 -2.330 -2.814 -3.657 601 2HG2 ILE 77 HG22 ILE 77 -3.550 -3.976 -3.133 602 3HG2 ILE 77 HG23 ILE 77 -1.901 -4.097 -2.526 603 1HD1 ILE 77 HD11 ILE 77 -0.414 -0.403 -2.391 604 2HD1 ILE 77 HD12 ILE 77 -0.865 -1.934 -3.139 605 3HD1 ILE 77 HD13 ILE 77 -0.340 -1.895 -1.455 606 H ARG 78 HN ARG 78 -6.589 -3.315 -2.766 607 HA ARG 78 HA ARG 78 -7.286 -5.092 -0.580 608 1HB ARG 78 HB2 ARG 78 -9.089 -4.473 -2.001 609 2HB ARG 78 HB1 ARG 78 -8.180 -4.871 -3.459 610 1HG ARG 78 HG2 ARG 78 -8.209 -7.267 -2.805 611 2HG ARG 78 HG1 ARG 78 -9.167 -6.852 -1.382 612 1HD ARG 78 HD2 ARG 78 -11.000 -6.090 -2.743 613 2HD ARG 78 HD1 ARG 78 -10.031 -6.205 -4.211 614 HE ARG 78 HE ARG 78 -9.957 -8.762 -3.519 615 1HH1 ARG 78 HH21 ARG 78 -12.529 -6.505 -3.728 616 2HH1 ARG 78 HH22 ARG 78 -13.776 -7.697 -3.574 617 1HH2 ARG 78 HH11 ARG 78 -11.573 -10.325 -3.063 618 2HH2 ARG 78 HH12 ARG 78 -13.235 -9.858 -3.199 619 H LYS 79 HN LYS 79 -5.921 -6.734 -0.048 620 HA LYS 79 HA LYS 79 -3.975 -7.920 -1.771 621 1HB LYS 79 HB2 LYS 79 -4.044 -8.056 0.756 622 2HB LYS 79 HB1 LYS 79 -5.304 -9.278 0.585 623 1HG LYS 79 HG2 LYS 79 -2.647 -9.512 -0.836 624 2HG LYS 79 HG1 LYS 79 -2.888 -10.136 0.796 625 1HD LYS 79 HD2 LYS 79 -5.088 -11.144 -0.475 626 2HD LYS 79 HD1 LYS 79 -3.902 -11.166 -1.781 627 1HE LYS 79 HE2 LYS 79 -2.451 -12.109 0.378 628 2HE LYS 79 HE1 LYS 79 -4.043 -12.822 0.636 629 1HZ LYS 79 HZ1 LYS 79 -3.210 -12.939 -2.100 630 2HZ LYS 79 HZ2 LYS 79 -3.775 -14.179 -1.086 631 3HZ LYS 79 HZ3 LYS 79 -2.133 -13.747 -1.069 632 H GLY 80 HN GLY 80 -4.204 -9.413 -3.345 633 1HA GLY 80 HA2 GLY 80 -6.528 -11.245 -3.311 634 2HA GLY 80 HA1 GLY 80 -6.365 -10.183 -4.711 635 H GLY 81 HN GLY 81 -6.208 -12.502 -5.684 636 1HA GLY 81 HA2 GLY 81 -3.885 -13.020 -6.952 637 2HA GLY 81 HA1 GLY 81 -3.545 -13.733 -5.375 Start of MODEL 7 1 1H MET 1 HT1 MET 1 -16.732 11.819 1.086 2 2H MET 1 HT2 MET 1 -16.263 11.762 2.718 3 3H MET 1 HT3 MET 1 -17.295 12.995 2.170 4 HA MET 1 HA MET 1 -18.491 11.265 3.413 5 1HB MET 1 HB2 MET 1 -19.167 11.327 0.457 6 2HB MET 1 HB1 MET 1 -20.283 11.015 1.788 7 1HG MET 1 HG2 MET 1 -19.731 13.307 2.683 8 2HG MET 1 HG1 MET 1 -18.818 13.603 1.203 9 1HE MET 1 HE1 MET 1 -21.312 15.383 -0.701 10 2HE MET 1 HE2 MET 1 -19.670 14.755 -0.602 11 3HE MET 1 HE3 MET 1 -20.309 15.738 0.713 12 H THR 2 HN THR 2 -17.921 9.938 0.144 13 HA THR 2 HA THR 2 -17.806 7.232 1.328 14 HB THR 2 HB THR 2 -17.463 6.764 -1.291 15 HG1 THR 2 HG1 THR 2 -18.933 9.177 -1.252 16 1HG2 THR 2 HG21 THR 2 -19.857 7.269 0.398 17 2HG2 THR 2 HG22 THR 2 -19.380 5.811 -0.470 18 3HG2 THR 2 HG23 THR 2 -20.128 7.150 -1.340 19 H ASP 3 HN ASP 3 -15.806 6.798 2.188 20 HA ASP 3 HA ASP 3 -13.418 7.501 0.527 21 1HB ASP 3 HB2 ASP 3 -13.768 8.390 2.984 22 2HB ASP 3 HB1 ASP 3 -13.233 6.771 3.434 23 H LEU 4 HN LEU 4 -12.579 5.754 -0.498 24 HA LEU 4 HA LEU 4 -13.322 3.044 0.168 25 1HB LEU 4 HB2 LEU 4 -10.949 3.936 -1.495 26 2HB LEU 4 HB1 LEU 4 -11.792 2.389 -1.581 27 HG LEU 4 HG LEU 4 -13.147 5.041 -2.128 28 1HD1 LEU 4 HD11 LEU 4 -12.988 3.913 -4.558 29 2HD1 LEU 4 HD12 LEU 4 -11.504 3.260 -3.867 30 3HD1 LEU 4 HD13 LEU 4 -11.743 5.005 -3.952 31 1HD2 LEU 4 HD21 LEU 4 -13.895 2.147 -2.229 32 2HD2 LEU 4 HD22 LEU 4 -14.581 3.216 -3.454 33 3HD2 LEU 4 HD23 LEU 4 -14.864 3.538 -1.743 34 H PHE 5 HN PHE 5 -11.131 5.188 1.572 35 HA PHE 5 HA PHE 5 -9.189 3.148 2.408 36 1HB PHE 5 HB2 PHE 5 -9.462 6.107 2.698 37 2HB PHE 5 HB1 PHE 5 -8.507 5.250 3.908 38 HD1 PHE 5 HD1 PHE 5 -6.547 6.587 2.973 39 HD2 PHE 5 HD2 PHE 5 -8.664 3.652 0.670 40 HE1 PHE 5 HE1 PHE 5 -4.669 6.432 1.375 41 HE2 PHE 5 HE2 PHE 5 -6.743 3.521 -0.893 42 HZ PHE 5 HZ PHE 5 -4.752 4.962 -0.562 43 H SER 6 HN SER 6 -12.195 3.305 3.225 44 HA SER 6 HA SER 6 -12.584 3.878 5.909 45 1HB SER 6 HB2 SER 6 -13.543 1.437 4.389 46 2HB SER 6 HB1 SER 6 -14.176 1.945 5.952 47 HG SER 6 HG SER 6 -14.999 3.751 5.036 48 H SER 7 HN SER 7 -12.756 2.065 7.713 49 HA SER 7 HA SER 7 -10.214 1.340 8.564 50 1HB SER 7 HB2 SER 7 -11.247 -0.044 10.166 51 2HB SER 7 HB1 SER 7 -12.508 1.120 9.769 52 HG SER 7 HG SER 7 -13.134 -0.514 8.124 53 HA PRO 8 HA PRO 8 -9.449 -1.683 5.295 54 1HB PRO 8 HB2 PRO 8 -6.719 -1.581 5.576 55 2HB PRO 8 HB1 PRO 8 -7.651 -0.425 4.611 56 1HG PRO 8 HG2 PRO 8 -6.400 -0.050 7.295 57 2HG PRO 8 HG1 PRO 8 -6.735 1.149 6.036 58 1HD PRO 8 HD2 PRO 8 -8.273 0.747 8.363 59 2HD PRO 8 HD1 PRO 8 -8.789 1.652 6.925 60 H ASP 9 HN ASP 9 -8.238 -3.811 5.361 61 HA ASP 9 HA ASP 9 -8.674 -5.116 7.934 62 1HB ASP 9 HB2 ASP 9 -7.420 -6.161 5.373 63 2HB ASP 9 HB1 ASP 9 -7.895 -7.149 6.756 64 H HIS 10 HN HIS 10 -6.008 -3.656 6.268 65 HA HIS 10 HA HIS 10 -4.250 -4.283 8.571 66 1HB HIS 10 HB2 HIS 10 -3.780 -5.076 5.705 67 2HB HIS 10 HB1 HIS 10 -2.422 -4.748 6.773 68 HD1 HIS 10 HD1 HIS 10 -1.636 -6.729 8.079 69 HD2 HIS 10 HD2 HIS 10 -5.650 -7.081 7.009 70 HE1 HIS 10 HE1 HIS 10 -2.399 -9.000 8.901 71 H THR 11 HN THR 11 -2.060 -2.990 8.163 72 HA THR 11 HA THR 11 -2.523 -0.532 6.573 73 HB THR 11 HB THR 11 -1.748 -0.481 9.489 74 HG1 THR 11 HG1 THR 11 -3.788 -0.212 9.932 75 1HG2 THR 11 HG21 THR 11 -2.033 1.944 9.266 76 2HG2 THR 11 HG22 THR 11 -2.501 1.748 7.577 77 3HG2 THR 11 HG23 THR 11 -0.856 1.366 8.086 78 H LEU 12 HN LEU 12 -0.476 0.724 6.357 79 HA LEU 12 HA LEU 12 1.996 -0.708 7.142 80 1HB LEU 12 HB2 LEU 12 1.687 -1.682 4.987 81 2HB LEU 12 HB1 LEU 12 1.164 -0.149 4.301 82 HG LEU 12 HG LEU 12 3.385 0.758 4.291 83 1HD1 LEU 12 HD11 LEU 12 3.868 -1.357 6.393 84 2HD1 LEU 12 HD12 LEU 12 4.207 0.370 6.456 85 3HD1 LEU 12 HD13 LEU 12 5.222 -0.687 5.486 86 1HD2 LEU 12 HD21 LEU 12 3.487 -0.778 2.547 87 2HD2 LEU 12 HD22 LEU 12 3.275 -2.167 3.613 88 3HD2 LEU 12 HD23 LEU 12 4.823 -1.331 3.549 89 H ASP 13 HN ASP 13 2.985 0.954 8.221 90 HA ASP 13 HA ASP 13 2.705 3.725 7.332 91 1HB ASP 13 HB2 ASP 13 3.059 3.351 9.703 92 2HB ASP 13 HB1 ASP 13 4.509 2.398 9.384 93 H ALA 14 HN ALA 14 4.135 4.788 5.915 94 HA ALA 14 HA ALA 14 6.693 3.404 5.328 95 1HB ALA 14 HB1 ALA 14 6.299 2.968 3.150 96 2HB ALA 14 HB2 ALA 14 5.309 4.411 2.930 97 3HB ALA 14 HB3 ALA 14 4.614 2.965 3.664 98 H LEU 15 HN LEU 15 5.498 5.779 6.605 99 HA LEU 15 HA LEU 15 6.554 8.098 5.237 100 1HB LEU 15 HB2 LEU 15 5.878 7.975 8.153 101 2HB LEU 15 HB1 LEU 15 5.710 9.290 7.007 102 HG LEU 15 HG LEU 15 4.063 6.770 6.876 103 1HD1 LEU 15 HD11 LEU 15 2.753 7.625 8.480 104 2HD1 LEU 15 HD12 LEU 15 2.514 9.071 7.500 105 3HD1 LEU 15 HD13 LEU 15 3.846 8.998 8.652 106 1HD2 LEU 15 HD21 LEU 15 4.621 8.685 4.959 107 2HD2 LEU 15 HD22 LEU 15 3.101 9.242 5.657 108 3HD2 LEU 15 HD23 LEU 15 3.209 7.627 4.965 109 H GLY 16 HN GLY 16 8.686 7.988 5.041 110 1HA GLY 16 HA2 GLY 16 10.888 8.407 6.003 111 2HA GLY 16 HA1 GLY 16 10.335 7.623 7.491 112 H LEU 17 HN LEU 17 9.050 5.807 5.102 113 HA LEU 17 HA LEU 17 11.205 3.791 5.248 114 1HB LEU 17 HB2 LEU 17 8.354 3.658 4.219 115 2HB LEU 17 HB1 LEU 17 9.486 2.312 4.191 116 HG LEU 17 HG LEU 17 8.052 3.542 6.490 117 1HD1 LEU 17 HD11 LEU 17 7.381 1.378 6.739 118 2HD1 LEU 17 HD12 LEU 17 9.020 0.765 6.527 119 3HD1 LEU 17 HD13 LEU 17 8.032 1.145 5.117 120 1HD2 LEU 17 HD21 LEU 17 10.839 2.393 6.589 121 2HD2 LEU 17 HD22 LEU 17 9.772 2.436 7.994 122 3HD2 LEU 17 HD23 LEU 17 10.283 3.940 7.226 123 H ARG 18 HN ARG 18 12.076 2.963 3.293 124 HA ARG 18 HA ARG 18 11.131 4.334 0.848 125 1HB ARG 18 HB2 ARG 18 13.610 4.725 0.246 126 2HB ARG 18 HB1 ARG 18 12.816 5.809 1.391 127 1HG ARG 18 HG2 ARG 18 13.924 4.893 3.239 128 2HG ARG 18 HG1 ARG 18 14.265 3.379 2.402 129 1HD ARG 18 HD2 ARG 18 16.177 4.182 1.479 130 2HD ARG 18 HD1 ARG 18 15.450 5.747 1.113 131 HE ARG 18 HE ARG 18 15.890 6.380 3.490 132 1HH1 ARG 18 HH11 ARG 18 16.717 3.164 3.271 133 2HH1 ARG 18 HH12 ARG 18 18.312 3.332 3.925 134 1HH2 ARG 18 HH21 ARG 18 18.260 6.798 3.861 135 2HH2 ARG 18 HH22 ARG 18 19.185 5.390 4.259 136 H CYS 19 HN CYS 19 11.616 3.182 -1.044 137 HA CYS 19 HA CYS 19 11.499 0.400 -0.911 138 1HB CYS 19 HB2 CYS 19 11.098 1.436 -3.003 139 2HB CYS 19 HB1 CYS 19 12.693 2.181 -3.038 140 HG CYS 19 HG CYS 19 13.680 0.049 -3.884 141 HA PRO 20 HA PRO 20 11.950 -1.377 -1.568 142 1HB PRO 20 HB2 PRO 20 12.839 -3.764 -0.582 143 2HB PRO 20 HB1 PRO 20 13.382 -3.108 -2.137 144 1HG PRO 20 HG2 PRO 20 14.861 -3.283 0.438 145 2HG PRO 20 HG1 PRO 20 15.494 -3.193 -1.210 146 1HD PRO 20 HD2 PRO 20 15.320 -1.061 0.681 147 2HD PRO 20 HD1 PRO 20 15.795 -0.938 -1.027 148 H GLU 21 HN GLU 21 12.989 -0.409 1.442 149 HA GLU 21 HA GLU 21 11.923 -2.149 3.319 150 1HB GLU 21 HB2 GLU 21 12.344 0.763 3.310 151 2HB GLU 21 HB1 GLU 21 11.422 0.080 4.639 152 1HG GLU 21 HG2 GLU 21 13.912 -1.361 3.918 153 2HG GLU 21 HG1 GLU 21 14.129 0.234 4.641 154 HA PRO 22 HA PRO 22 7.669 -0.045 3.246 155 1HB PRO 22 HB2 PRO 22 7.063 1.267 0.901 156 2HB PRO 22 HB1 PRO 22 7.702 2.063 2.334 157 1HG PRO 22 HG2 PRO 22 9.096 1.367 -0.202 158 2HG PRO 22 HG1 PRO 22 9.431 2.683 0.937 159 1HD PRO 22 HD2 PRO 22 10.887 0.314 0.765 160 2HD PRO 22 HD1 PRO 22 10.894 1.395 2.165 161 H VAL 23 HN VAL 23 8.463 -0.538 -0.168 162 HA VAL 23 HA VAL 23 6.360 -2.232 -0.906 163 HB VAL 23 HB VAL 23 9.295 -2.375 -1.640 164 1HG1 VAL 23 HG11 VAL 23 6.888 -3.876 -2.635 165 2HG1 VAL 23 HG12 VAL 23 8.517 -4.472 -2.315 166 3HG1 VAL 23 HG13 VAL 23 8.200 -3.500 -3.752 167 1HG2 VAL 23 HG21 VAL 23 7.239 -1.416 -3.551 168 2HG2 VAL 23 HG22 VAL 23 8.855 -0.788 -3.231 169 3HG2 VAL 23 HG23 VAL 23 7.519 -0.374 -2.157 170 H MET 24 HN MET 24 9.123 -2.828 1.174 171 HA MET 24 HA MET 24 8.902 -5.733 1.134 172 1HB MET 24 HB2 MET 24 10.397 -3.699 2.726 173 2HB MET 24 HB1 MET 24 10.200 -5.304 3.429 174 1HG MET 24 HG2 MET 24 11.128 -6.311 1.362 175 2HG MET 24 HG1 MET 24 11.371 -4.696 0.697 176 1HE MET 24 HE1 MET 24 13.439 -7.361 3.267 177 2HE MET 24 HE2 MET 24 14.371 -6.955 1.828 178 3HE MET 24 HE3 MET 24 12.676 -7.409 1.671 179 H MET 25 HN MET 25 7.778 -3.176 3.343 180 HA MET 25 HA MET 25 6.632 -4.896 5.294 181 1HB MET 25 HB2 MET 25 6.243 -2.056 4.467 182 2HB MET 25 HB1 MET 25 5.000 -2.786 5.485 183 1HG MET 25 HG2 MET 25 6.363 -2.223 7.213 184 2HG MET 25 HG1 MET 25 7.312 -3.624 6.719 185 1HE MET 25 HE1 MET 25 9.638 -3.479 6.611 186 2HE MET 25 HE2 MET 25 9.325 -2.431 7.992 187 3HE MET 25 HE3 MET 25 10.540 -1.969 6.802 188 H VAL 26 HN VAL 26 5.244 -3.479 2.325 189 HA VAL 26 HA VAL 26 2.626 -4.619 2.696 190 HB VAL 26 HB VAL 26 4.113 -3.963 0.136 191 1HG1 VAL 26 HG11 VAL 26 2.332 -4.762 -1.015 192 2HG1 VAL 26 HG12 VAL 26 1.213 -3.850 -0.003 193 3HG1 VAL 26 HG13 VAL 26 1.741 -5.457 0.494 194 1HG2 VAL 26 HG21 VAL 26 2.211 -2.090 0.314 195 2HG2 VAL 26 HG22 VAL 26 3.780 -1.885 1.092 196 3HG2 VAL 26 HG23 VAL 26 2.393 -2.429 2.033 197 H ARG 27 HN ARG 27 5.678 -5.907 1.636 198 HA ARG 27 HA ARG 27 4.715 -8.251 0.281 199 1HB ARG 27 HB2 ARG 27 7.275 -7.260 1.230 200 2HB ARG 27 HB1 ARG 27 7.093 -8.986 1.574 201 1HG ARG 27 HG2 ARG 27 6.164 -8.256 -1.104 202 2HG ARG 27 HG1 ARG 27 7.873 -7.913 -0.858 203 1HD ARG 27 HD2 ARG 27 7.649 -10.372 0.313 204 2HD ARG 27 HD1 ARG 27 6.468 -10.504 -0.991 205 HE ARG 27 HE ARG 27 8.583 -9.512 -2.350 206 1HH1 ARG 27 HH21 ARG 27 7.769 -12.541 -1.650 207 2HH1 ARG 27 HH22 ARG 27 9.364 -13.194 -1.485 208 1HH2 ARG 27 HH11 ARG 27 10.913 -10.093 -1.397 209 2HH2 ARG 27 HH12 ARG 27 11.144 -11.809 -1.341 210 H LYS 28 HN LYS 28 6.067 -7.941 3.523 211 HA LYS 28 HA LYS 28 5.343 -10.523 4.464 212 1HB LYS 28 HB2 LYS 28 5.782 -7.923 5.960 213 2HB LYS 28 HB1 LYS 28 5.560 -9.479 6.760 214 1HG LYS 28 HG2 LYS 28 7.500 -9.915 4.757 215 2HG LYS 28 HG1 LYS 28 7.945 -8.397 5.538 216 1HD LYS 28 HD2 LYS 28 7.166 -10.784 7.198 217 2HD LYS 28 HD1 LYS 28 8.809 -10.631 6.573 218 1HE LYS 28 HE2 LYS 28 8.118 -8.097 7.631 219 2HE LYS 28 HE1 LYS 28 7.609 -9.291 8.825 220 1HZ LYS 28 HZ1 LYS 28 10.001 -10.243 8.101 221 2HZ LYS 28 HZ2 LYS 28 9.750 -9.215 9.430 222 3HZ LYS 28 HZ3 LYS 28 10.270 -8.575 7.945 223 H THR 29 HN THR 29 3.659 -7.444 4.574 224 HA THR 29 HA THR 29 1.364 -8.278 6.075 225 HB THR 29 HB THR 29 2.161 -6.069 4.261 226 HG1 THR 29 HG1 THR 29 2.470 -5.867 6.453 227 1HG2 THR 29 HG21 THR 29 -0.123 -6.725 3.448 228 2HG2 THR 29 HG22 THR 29 -0.022 -5.088 4.091 229 3HG2 THR 29 HG23 THR 29 -0.735 -6.374 5.065 230 H VAL 30 HN VAL 30 2.304 -8.329 2.731 231 HA VAL 30 HA VAL 30 -0.199 -9.225 1.610 232 HB VAL 30 HB VAL 30 2.694 -9.176 0.743 233 1HG1 VAL 30 HG11 VAL 30 2.090 -10.182 -1.387 234 2HG1 VAL 30 HG12 VAL 30 0.437 -10.421 -0.820 235 3HG1 VAL 30 HG13 VAL 30 1.766 -11.302 -0.064 236 1HG2 VAL 30 HG21 VAL 30 0.405 -8.128 -0.874 237 2HG2 VAL 30 HG22 VAL 30 2.048 -7.506 -0.724 238 3HG2 VAL 30 HG23 VAL 30 0.883 -7.239 0.572 239 H ARG 31 HN ARG 31 2.553 -10.649 3.160 240 HA ARG 31 HA ARG 31 1.967 -13.411 2.477 241 1HB ARG 31 HB2 ARG 31 3.689 -12.214 4.666 242 2HB ARG 31 HB1 ARG 31 3.671 -13.919 4.211 243 1HG ARG 31 HG2 ARG 31 4.228 -13.079 1.820 244 2HG ARG 31 HG1 ARG 31 4.655 -11.568 2.605 245 1HD ARG 31 HD2 ARG 31 6.624 -13.036 2.329 246 2HD ARG 31 HD1 ARG 31 6.274 -12.720 4.029 247 HE ARG 31 HE ARG 31 5.025 -15.160 3.006 248 1HH1 ARG 31 HH21 ARG 31 8.089 -13.889 3.828 249 2HH1 ARG 31 HH22 ARG 31 8.563 -15.254 4.784 250 1HH2 ARG 31 HH11 ARG 31 5.498 -16.852 4.500 251 2HH2 ARG 31 HH12 ARG 31 7.096 -16.931 5.165 252 H ASN 32 HN ASN 32 1.129 -11.143 5.029 253 HA ASN 32 HA ASN 32 -0.256 -13.342 6.497 254 1HB ASN 32 HB2 ASN 32 -0.408 -11.807 8.373 255 2HB ASN 32 HB1 ASN 32 1.255 -11.817 7.791 256 1HD2 ASN 32 HD21 ASN 32 1.589 -9.626 8.662 257 2HD2 ASN 32 HD22 ASN 32 0.926 -8.272 7.883 258 H MET 33 HN MET 33 -0.948 -11.350 4.027 259 HA MET 33 HA MET 33 -3.620 -10.523 4.992 260 1HB MET 33 HB2 MET 33 -1.911 -9.857 2.636 261 2HB MET 33 HB1 MET 33 -3.660 -9.741 2.436 262 1HG MET 33 HG2 MET 33 -3.449 -8.482 4.785 263 2HG MET 33 HG1 MET 33 -1.842 -8.132 4.167 264 1HE MET 33 HE1 MET 33 -5.794 -7.328 3.617 265 2HE MET 33 HE2 MET 33 -5.232 -8.813 2.854 266 3HE MET 33 HE3 MET 33 -5.709 -7.443 1.854 267 H GLN 34 HN GLN 34 -5.333 -10.829 3.098 268 HA GLN 34 HA GLN 34 -5.142 -13.576 1.973 269 1HB GLN 34 HB2 GLN 34 -7.391 -12.488 3.696 270 2HB GLN 34 HB1 GLN 34 -7.525 -13.955 2.724 271 1HG GLN 34 HG2 GLN 34 -6.765 -14.983 4.612 272 2HG GLN 34 HG1 GLN 34 -5.187 -14.433 4.044 273 1HE2 GLN 34 HE21 GLN 34 -7.952 -12.794 5.709 274 2HE2 GLN 34 HE22 GLN 34 -6.991 -12.101 6.925 275 HA PRO 35 HA PRO 35 -6.875 -11.553 -1.500 276 1HB PRO 35 HB2 PRO 35 -8.206 -13.670 -2.672 277 2HB PRO 35 HB1 PRO 35 -6.453 -13.429 -2.756 278 1HG PRO 35 HG2 PRO 35 -8.010 -15.354 -1.075 279 2HG PRO 35 HG1 PRO 35 -6.371 -15.510 -1.730 280 1HD PRO 35 HD2 PRO 35 -6.975 -14.850 0.929 281 2HD PRO 35 HD1 PRO 35 -5.414 -14.545 0.132 282 H GLY 36 HN GLY 36 -8.518 -10.191 -1.337 283 1HA GLY 36 HA2 GLY 36 -10.939 -9.765 -1.521 284 2HA GLY 36 HA1 GLY 36 -11.196 -11.171 -0.475 285 H GLU 37 HN GLU 37 -8.480 -9.172 0.233 286 HA GLU 37 HA GLU 37 -9.985 -7.959 2.520 287 1HB GLU 37 HB2 GLU 37 -7.375 -9.398 2.386 288 2HB GLU 37 HB1 GLU 37 -7.501 -8.040 3.498 289 1HG GLU 37 HG2 GLU 37 -9.884 -9.561 3.779 290 2HG GLU 37 HG1 GLU 37 -8.536 -10.698 3.812 291 H THR 38 HN THR 38 -8.270 -6.130 3.463 292 HA THR 38 HA THR 38 -7.263 -4.596 1.120 293 HB THR 38 HB THR 38 -8.296 -2.549 2.462 294 HG1 THR 38 HG1 THR 38 -9.503 -3.268 4.012 295 1HG2 THR 38 HG21 THR 38 -8.872 -2.930 0.187 296 2HG2 THR 38 HG22 THR 38 -10.407 -2.914 1.055 297 3HG2 THR 38 HG23 THR 38 -9.684 -4.448 0.569 298 H LEU 39 HN LEU 39 -5.735 -2.929 1.682 299 HA LEU 39 HA LEU 39 -4.633 -2.981 4.448 300 1HB LEU 39 HB2 LEU 39 -3.329 -4.692 3.410 301 2HB LEU 39 HB1 LEU 39 -3.164 -3.768 1.919 302 HG LEU 39 HG LEU 39 -2.037 -2.004 3.594 303 1HD1 LEU 39 HD11 LEU 39 -1.950 -4.656 4.974 304 2HD1 LEU 39 HD12 LEU 39 -2.141 -3.043 5.660 305 3HD1 LEU 39 HD13 LEU 39 -0.559 -3.579 5.101 306 1HD2 LEU 39 HD21 LEU 39 -0.894 -2.872 1.659 307 2HD2 LEU 39 HD22 LEU 39 -0.773 -4.474 2.384 308 3HD2 LEU 39 HD23 LEU 39 0.164 -3.134 3.046 309 H LEU 40 HN LEU 40 -4.488 -0.809 4.948 310 HA LEU 40 HA LEU 40 -4.234 1.176 2.787 311 1HB LEU 40 HB2 LEU 40 -5.758 1.756 4.577 312 2HB LEU 40 HB1 LEU 40 -4.524 1.439 5.798 313 HG LEU 40 HG LEU 40 -3.131 3.258 4.711 314 1HD1 LEU 40 HD11 LEU 40 -4.709 4.909 3.420 315 2HD1 LEU 40 HD12 LEU 40 -5.677 3.465 3.125 316 3HD1 LEU 40 HD13 LEU 40 -4.008 3.538 2.560 317 1HD2 LEU 40 HD21 LEU 40 -5.566 3.516 6.318 318 2HD2 LEU 40 HD22 LEU 40 -5.169 4.999 5.449 319 3HD2 LEU 40 HD23 LEU 40 -3.991 4.275 6.544 320 H ILE 41 HN ILE 41 -2.374 2.515 2.549 321 HA ILE 41 HA ILE 41 -0.029 1.823 4.258 322 HB ILE 41 HB ILE 41 0.195 1.970 1.256 323 1HG1 ILE 41 HG12 ILE 41 -0.727 -0.328 2.985 324 2HG1 ILE 41 HG11 ILE 41 -1.370 0.230 1.452 325 1HG2 ILE 41 HG21 ILE 41 1.919 0.116 2.657 326 2HG2 ILE 41 HG22 ILE 41 2.009 1.711 3.399 327 3HG2 ILE 41 HG23 ILE 41 2.358 1.517 1.683 328 1HD1 ILE 41 HD11 ILE 41 1.287 -0.443 0.883 329 2HD1 ILE 41 HD12 ILE 41 -0.151 -1.362 0.440 330 3HD1 ILE 41 HD13 ILE 41 0.703 -1.729 1.938 331 H ILE 42 HN ILE 42 0.929 3.750 4.919 332 HA ILE 42 HA ILE 42 0.464 6.119 3.191 333 HB ILE 42 HB ILE 42 1.843 6.260 5.847 334 1HG1 ILE 42 HG12 ILE 42 -1.072 5.703 5.333 335 2HG1 ILE 42 HG11 ILE 42 -0.008 4.997 6.553 336 1HG2 ILE 42 HG21 ILE 42 -0.245 8.194 5.093 337 2HG2 ILE 42 HG22 ILE 42 1.076 8.107 3.936 338 3HG2 ILE 42 HG23 ILE 42 1.410 8.482 5.624 339 1HD1 ILE 42 HD11 ILE 42 -1.449 6.564 7.673 340 2HD1 ILE 42 HD12 ILE 42 -1.093 7.814 6.480 341 3HD1 ILE 42 HD13 ILE 42 0.162 7.278 7.597 342 H ALA 43 HN ALA 43 2.407 7.501 2.905 343 HA ALA 43 HA ALA 43 5.012 6.300 3.292 344 1HB ALA 43 HB1 ALA 43 5.446 5.437 1.228 345 2HB ALA 43 HB2 ALA 43 4.533 6.703 0.405 346 3HB ALA 43 HB3 ALA 43 3.691 5.321 1.106 347 H ASP 44 HN ASP 44 6.369 8.001 3.504 348 HA ASP 44 HA ASP 44 5.492 10.553 2.251 349 1HB ASP 44 HB2 ASP 44 6.894 11.733 3.819 350 2HB ASP 44 HB1 ASP 44 5.905 10.615 4.747 351 H ASP 45 HN ASP 45 7.792 7.988 2.368 352 HA ASP 45 HA ASP 45 9.946 9.252 0.968 353 1HB ASP 45 HB2 ASP 45 10.420 7.174 1.865 354 2HB ASP 45 HB1 ASP 45 8.910 6.495 1.293 355 HA PRO 46 HA PRO 46 7.930 9.884 -2.911 356 1HB PRO 46 HB2 PRO 46 10.187 10.334 -4.414 357 2HB PRO 46 HB1 PRO 46 9.495 11.530 -3.303 358 1HG PRO 46 HG2 PRO 46 11.942 9.861 -2.982 359 2HG PRO 46 HG1 PRO 46 11.545 11.422 -2.245 360 1HD PRO 46 HD2 PRO 46 11.379 8.889 -0.981 361 2HD PRO 46 HD1 PRO 46 10.711 10.409 -0.366 362 H ALA 47 HN ALA 47 10.294 7.431 -2.388 363 HA ALA 47 HA ALA 47 9.877 6.184 -5.034 364 1HB ALA 47 HB1 ALA 47 11.298 4.681 -2.908 365 2HB ALA 47 HB2 ALA 47 12.034 6.210 -3.386 366 3HB ALA 47 HB3 ALA 47 11.752 4.952 -4.589 367 H THR 48 HN THR 48 8.156 6.238 -2.190 368 HA THR 48 HA THR 48 7.398 3.387 -2.229 369 HB THR 48 HB THR 48 5.687 4.284 -0.476 370 HG1 THR 48 HG1 THR 48 6.050 6.488 -1.158 371 1HG2 THR 48 HG21 THR 48 8.369 3.464 -0.351 372 2HG2 THR 48 HG22 THR 48 7.198 3.459 0.967 373 3HG2 THR 48 HG23 THR 48 8.254 4.851 0.729 374 H THR 49 HN THR 49 5.982 6.538 -3.043 375 HA THR 49 HA THR 49 3.365 5.674 -3.700 376 HB THR 49 HB THR 49 3.082 7.726 -4.729 377 HG1 THR 49 HG1 THR 49 4.212 7.573 -6.539 378 1HG2 THR 49 HG21 THR 49 4.146 9.275 -3.430 379 2HG2 THR 49 HG22 THR 49 5.742 8.591 -3.740 380 3HG2 THR 49 HG23 THR 49 4.673 7.836 -2.558 381 H ARG 50 HN ARG 50 6.389 5.477 -5.481 382 HA ARG 50 HA ARG 50 4.950 4.336 -7.816 383 1HB ARG 50 HB2 ARG 50 7.786 5.231 -7.347 384 2HB ARG 50 HB1 ARG 50 7.323 4.335 -8.794 385 1HG ARG 50 HG2 ARG 50 5.748 6.038 -9.443 386 2HG ARG 50 HG1 ARG 50 5.931 6.872 -7.900 387 1HD ARG 50 HD2 ARG 50 8.037 6.560 -10.056 388 2HD ARG 50 HD1 ARG 50 7.248 8.055 -9.555 389 HE ARG 50 HE ARG 50 9.213 6.538 -7.899 390 1HH1 ARG 50 HH11 ARG 50 6.908 9.041 -7.988 391 2HH1 ARG 50 HH12 ARG 50 7.891 10.187 -7.137 392 1HH2 ARG 50 HH21 ARG 50 10.689 8.138 -7.075 393 2HH2 ARG 50 HH22 ARG 50 10.030 9.674 -6.620 394 H ASP 51 HN ASP 51 7.357 3.327 -5.417 395 HA ASP 51 HA ASP 51 7.643 0.708 -6.691 396 1HB ASP 51 HB2 ASP 51 8.700 1.797 -4.070 397 2HB ASP 51 HB1 ASP 51 9.149 0.237 -4.766 398 H ILE 52 HN ILE 52 6.254 1.817 -3.578 399 HA ILE 52 HA ILE 52 5.584 -0.714 -2.580 400 HB ILE 52 HB ILE 52 4.524 2.028 -2.171 401 1HG1 ILE 52 HG12 ILE 52 5.621 -0.218 -0.483 402 2HG1 ILE 52 HG11 ILE 52 6.363 1.343 -0.832 403 1HG2 ILE 52 HG21 ILE 52 2.437 0.692 -2.333 404 2HG2 ILE 52 HG22 ILE 52 2.730 1.233 -0.680 405 3HG2 ILE 52 HG23 ILE 52 3.079 -0.434 -1.136 406 1HD1 ILE 52 HD11 ILE 52 4.537 0.643 1.292 407 2HD1 ILE 52 HD12 ILE 52 3.844 1.924 0.296 408 3HD1 ILE 52 HD13 ILE 52 5.425 2.147 1.046 409 HA PRO 53 HA PRO 53 1.473 -0.630 -4.899 410 1HB PRO 53 HB2 PRO 53 1.307 1.087 -7.037 411 2HB PRO 53 HB1 PRO 53 0.702 1.441 -5.409 412 1HG PRO 53 HG2 PRO 53 3.128 2.484 -6.789 413 2HG PRO 53 HG1 PRO 53 2.181 3.217 -5.483 414 1HD PRO 53 HD2 PRO 53 4.657 1.899 -5.182 415 2HD PRO 53 HD1 PRO 53 3.538 2.317 -3.865 416 H GLY 54 HN GLY 54 4.087 0.399 -7.124 417 1HA GLY 54 HA2 GLY 54 3.532 -1.391 -9.210 418 2HA GLY 54 HA1 GLY 54 5.179 -0.907 -8.769 419 H PHE 55 HN PHE 55 4.701 -2.011 -5.982 420 HA PHE 55 HA PHE 55 5.591 -4.730 -6.596 421 1HB PHE 55 HB2 PHE 55 6.666 -4.001 -4.684 422 2HB PHE 55 HB1 PHE 55 5.285 -3.051 -4.141 423 HD1 PHE 55 HD1 PHE 55 5.596 -6.663 -5.101 424 HD2 PHE 55 HD2 PHE 55 4.655 -3.823 -2.030 425 HE1 PHE 55 HE1 PHE 55 4.882 -8.503 -3.616 426 HE2 PHE 55 HE2 PHE 55 3.938 -5.678 -0.564 427 HZ PHE 55 HZ PHE 55 4.036 -8.010 -1.357 428 H CYS 56 HN CYS 56 2.725 -3.343 -4.888 429 HA CYS 56 HA CYS 56 1.401 -5.814 -4.481 430 1HB CYS 56 HB2 CYS 56 0.408 -3.006 -4.922 431 2HB CYS 56 HB1 CYS 56 -0.714 -4.343 -4.662 432 HG CYS 56 HG CYS 56 0.777 -4.788 -2.389 433 H THR 57 HN THR 57 1.471 -3.742 -7.354 434 HA THR 57 HA THR 57 -0.540 -5.117 -8.833 435 HB THR 57 HB THR 57 1.943 -3.806 -9.969 436 HG1 THR 57 HG1 THR 57 -0.473 -2.766 -8.956 437 1HG2 THR 57 HG21 THR 57 0.691 -3.561 -11.958 438 2HG2 THR 57 HG22 THR 57 -0.834 -3.901 -11.140 439 3HG2 THR 57 HG23 THR 57 0.325 -5.201 -11.421 440 H PHE 58 HN PHE 58 2.899 -5.786 -8.375 441 HA PHE 58 HA PHE 58 3.086 -7.816 -10.407 442 1HB PHE 58 HB2 PHE 58 4.940 -6.527 -9.008 443 2HB PHE 58 HB1 PHE 58 4.799 -7.938 -7.961 444 HD1 PHE 58 HD1 PHE 58 6.236 -6.635 -10.968 445 HD2 PHE 58 HD2 PHE 58 4.918 -10.271 -9.096 446 HE1 PHE 58 HE1 PHE 58 7.615 -7.951 -12.554 447 HE2 PHE 58 HE2 PHE 58 6.297 -11.586 -10.682 448 HZ PHE 58 HZ PHE 58 7.646 -10.427 -12.411 449 H MET 59 HN MET 59 2.394 -7.983 -6.906 450 HA MET 59 HA MET 59 2.277 -10.879 -6.907 451 1HB MET 59 HB2 MET 59 1.161 -8.951 -4.914 452 2HB MET 59 HB1 MET 59 1.415 -10.668 -4.649 453 1HG MET 59 HG2 MET 59 3.530 -8.569 -5.174 454 2HG MET 59 HG1 MET 59 3.290 -9.487 -3.688 455 1HE MET 59 HE1 MET 59 3.300 -12.134 -3.648 456 2HE MET 59 HE2 MET 59 4.744 -11.289 -3.098 457 3HE MET 59 HE3 MET 59 4.904 -12.737 -4.089 458 H GLU 60 HN GLU 60 0.255 -8.781 -8.377 459 HA GLU 60 HA GLU 60 -1.852 -9.225 -9.357 460 1HB GLU 60 HB2 GLU 60 -1.071 -11.729 -8.704 461 2HB GLU 60 HB1 GLU 60 -2.441 -11.551 -7.607 462 1HG GLU 60 HG2 GLU 60 -3.617 -12.253 -9.445 463 2HG GLU 60 HG1 GLU 60 -3.541 -10.540 -9.858 464 H HIS 61 HN HIS 61 -1.291 -7.745 -6.816 465 HA HIS 61 HA HIS 61 -3.824 -8.077 -5.333 466 1HB HIS 61 HB2 HIS 61 -1.531 -6.156 -4.823 467 2HB HIS 61 HB1 HIS 61 -2.824 -6.588 -3.711 468 HD1 HIS 61 HD1 HIS 61 -2.273 -9.675 -5.127 469 HD2 HIS 61 HD2 HIS 61 0.064 -7.373 -2.556 470 HE1 HIS 61 HE1 HIS 61 -0.653 -11.267 -4.017 471 H GLU 62 HN GLU 62 -4.838 -5.769 -4.761 472 HA GLU 62 HA GLU 62 -4.819 -4.199 -7.309 473 1HB GLU 62 HB2 GLU 62 -7.039 -5.231 -5.637 474 2HB GLU 62 HB1 GLU 62 -7.259 -3.651 -6.370 475 1HG GLU 62 HG2 GLU 62 -6.330 -4.923 -8.522 476 2HG GLU 62 HG1 GLU 62 -6.968 -6.331 -7.672 477 H LEU 63 HN LEU 63 -4.857 -2.017 -7.163 478 HA LEU 63 HA LEU 63 -4.239 -0.798 -4.538 479 1HB LEU 63 HB2 LEU 63 -2.891 0.218 -6.166 480 2HB LEU 63 HB1 LEU 63 -4.118 0.064 -7.420 481 HG LEU 63 HG LEU 63 -5.460 1.824 -6.135 482 1HD1 LEU 63 HD11 LEU 63 -3.260 3.135 -4.921 483 2HD1 LEU 63 HD12 LEU 63 -3.237 1.471 -4.338 484 3HD1 LEU 63 HD13 LEU 63 -4.681 2.462 -4.123 485 1HD2 LEU 63 HD21 LEU 63 -4.593 3.318 -7.595 486 2HD2 LEU 63 HD22 LEU 63 -3.468 2.039 -8.053 487 3HD2 LEU 63 HD23 LEU 63 -2.997 3.237 -6.847 488 H VAL 64 HN VAL 64 -6.192 -0.740 -3.365 489 HA VAL 64 HA VAL 64 -8.690 -0.408 -4.691 490 HB VAL 64 HB VAL 64 -7.815 -0.322 -1.805 491 1HG1 VAL 64 HG11 VAL 64 -10.534 -0.172 -3.090 492 2HG1 VAL 64 HG12 VAL 64 -9.839 0.933 -1.904 493 3HG1 VAL 64 HG13 VAL 64 -10.297 -0.704 -1.427 494 1HG2 VAL 64 HG21 VAL 64 -8.065 -2.398 -3.620 495 2HG2 VAL 64 HG22 VAL 64 -9.615 -2.417 -2.778 496 3HG2 VAL 64 HG23 VAL 64 -8.113 -2.562 -1.866 497 H ALA 65 HN ALA 65 -6.737 1.915 -2.690 498 HA ALA 65 HA ALA 65 -8.071 4.058 -4.275 499 1HB ALA 65 HB1 ALA 65 -8.142 5.135 -1.722 500 2HB ALA 65 HB2 ALA 65 -8.660 3.469 -1.471 501 3HB ALA 65 HB3 ALA 65 -9.528 4.499 -2.608 502 H LYS 66 HN LYS 66 -6.524 5.648 -4.791 503 HA LYS 66 HA LYS 66 -3.981 5.468 -3.307 504 1HB LYS 66 HB2 LYS 66 -4.390 7.239 -5.658 505 2HB LYS 66 HB1 LYS 66 -2.952 6.341 -5.176 506 1HG LYS 66 HG2 LYS 66 -3.649 4.994 -6.843 507 2HG LYS 66 HG1 LYS 66 -4.618 4.294 -5.577 508 1HD LYS 66 HD2 LYS 66 -6.406 4.722 -6.889 509 2HD LYS 66 HD1 LYS 66 -6.157 6.421 -6.485 510 1HE LYS 66 HE2 LYS 66 -5.213 6.907 -8.517 511 2HE LYS 66 HE1 LYS 66 -4.451 5.323 -8.658 512 1HZ LYS 66 HZ1 LYS 66 -6.247 5.622 -10.261 513 2HZ LYS 66 HZ2 LYS 66 -7.351 5.867 -8.994 514 3HZ LYS 66 HZ3 LYS 66 -6.588 4.360 -9.179 515 H GLU 67 HN GLU 67 -2.891 7.439 -2.768 516 HA GLU 67 HA GLU 67 -4.635 9.788 -2.324 517 1HB GLU 67 HB2 GLU 67 -3.286 8.122 -0.312 518 2HB GLU 67 HB1 GLU 67 -3.263 9.841 -0.046 519 1HG GLU 67 HG2 GLU 67 -5.879 8.769 -0.869 520 2HG GLU 67 HG1 GLU 67 -5.319 8.195 0.702 521 H THR 68 HN THR 68 -3.590 11.343 -3.460 522 HA THR 68 HA THR 68 -0.665 11.723 -2.979 523 HB THR 68 HB THR 68 -0.241 12.075 -5.321 524 HG1 THR 68 HG1 THR 68 -2.937 11.513 -5.904 525 1HG2 THR 68 HG21 THR 68 -0.200 9.738 -4.748 526 2HG2 THR 68 HG22 THR 68 -1.010 9.877 -6.309 527 3HG2 THR 68 HG23 THR 68 -1.958 9.629 -4.842 528 H ASP 69 HN ASP 69 -3.100 12.990 -1.925 529 HA ASP 69 HA ASP 69 -3.384 15.556 -3.288 530 1HB ASP 69 HB2 ASP 69 -4.258 14.735 -0.513 531 2HB ASP 69 HB1 ASP 69 -4.825 16.151 -1.399 532 H GLY 70 HN GLY 70 -0.884 14.388 -1.677 533 1HA GLY 70 HA2 GLY 70 0.902 16.195 -1.419 534 2HA GLY 70 HA1 GLY 70 -0.215 16.874 -0.265 535 H LEU 71 HN LEU 71 2.423 15.233 -0.408 536 HA LEU 71 HA LEU 71 2.454 12.909 0.957 537 1HB LEU 71 HB2 LEU 71 4.205 15.316 1.416 538 2HB LEU 71 HB1 LEU 71 4.481 13.794 2.238 539 HG LEU 71 HG LEU 71 4.093 13.674 -0.680 540 1HD1 LEU 71 HD11 LEU 71 6.790 13.980 -0.558 541 2HD1 LEU 71 HD12 LEU 71 6.281 15.140 0.670 542 3HD1 LEU 71 HD13 LEU 71 5.686 15.289 -0.983 543 1HD2 LEU 71 HD21 LEU 71 6.081 12.036 -0.235 544 2HD2 LEU 71 HD22 LEU 71 4.467 11.585 0.313 545 3HD2 LEU 71 HD23 LEU 71 5.635 12.240 1.460 546 HA PRO 72 HA PRO 72 3.413 11.899 2.362 547 1HB PRO 72 HB2 PRO 72 2.503 9.884 3.960 548 2HB PRO 72 HB1 PRO 72 3.751 11.032 4.484 549 1HG PRO 72 HG2 PRO 72 0.875 10.907 5.230 550 2HG PRO 72 HG1 PRO 72 2.243 11.504 6.188 551 1HD PRO 72 HD2 PRO 72 0.376 13.112 4.801 552 2HD PRO 72 HD1 PRO 72 1.955 13.660 5.407 553 H TYR 73 HN TYR 73 2.812 10.252 0.924 554 HA TYR 73 HA TYR 73 0.180 10.319 -0.212 555 1HB TYR 73 HB2 TYR 73 2.066 8.079 -0.651 556 2HB TYR 73 HB1 TYR 73 0.963 8.820 -1.800 557 HD1 TYR 73 HD1 TYR 73 4.216 8.714 -0.465 558 HD2 TYR 73 HD2 TYR 73 1.472 11.246 -2.531 559 HE1 TYR 73 HE1 TYR 73 6.121 10.058 -1.284 560 HE2 TYR 73 HE2 TYR 73 3.341 12.649 -3.335 561 HH TYR 73 HH TYR 73 6.199 11.877 -3.663 562 H ARG 74 HN ARG 74 -1.178 8.320 -0.503 563 HA ARG 74 HA ARG 74 -0.705 6.199 1.433 564 1HB ARG 74 HB2 ARG 74 -3.031 8.080 1.562 565 2HB ARG 74 HB1 ARG 74 -3.229 6.387 2.028 566 1HG ARG 74 HG2 ARG 74 -1.871 6.554 3.827 567 2HG ARG 74 HG1 ARG 74 -0.868 7.782 3.098 568 1HD ARG 74 HD2 ARG 74 -2.050 9.433 4.088 569 2HD ARG 74 HD1 ARG 74 -3.564 8.769 3.474 570 HE ARG 74 HE ARG 74 -2.748 7.140 5.644 571 1HH1 ARG 74 HH11 ARG 74 -3.230 10.502 5.173 572 2HH1 ARG 74 HH12 ARG 74 -4.142 10.720 6.629 573 1HH2 ARG 74 HH21 ARG 74 -4.142 7.350 7.448 574 2HH2 ARG 74 HH22 ARG 74 -4.658 8.935 7.917 575 H TYR 75 HN TYR 75 -1.877 4.316 0.862 576 HA TYR 75 HA TYR 75 -3.411 4.411 -1.622 577 1HB TYR 75 HB2 TYR 75 -1.206 2.451 -1.639 578 2HB TYR 75 HB1 TYR 75 -1.994 3.269 -2.986 579 HD1 TYR 75 HD1 TYR 75 -1.517 5.836 -3.229 580 HD2 TYR 75 HD2 TYR 75 0.766 3.173 -0.835 581 HE1 TYR 75 HE1 TYR 75 0.400 7.404 -3.359 582 HE2 TYR 75 HE2 TYR 75 2.713 4.728 -0.925 583 HH TYR 75 HH TYR 75 3.310 6.883 -1.451 584 H LEU 76 HN LEU 76 -5.076 2.950 -1.307 585 HA LEU 76 HA LEU 76 -4.711 1.018 0.789 586 1HB LEU 76 HB2 LEU 76 -6.898 2.116 0.624 587 2HB LEU 76 HB1 LEU 76 -7.097 1.492 -0.996 588 HG LEU 76 HG LEU 76 -6.703 -0.817 0.023 589 1HD1 LEU 76 HD11 LEU 76 -5.913 0.369 2.212 590 2HD1 LEU 76 HD12 LEU 76 -6.870 -1.108 2.326 591 3HD1 LEU 76 HD13 LEU 76 -7.638 0.462 2.566 592 1HD2 LEU 76 HD21 LEU 76 -9.189 -0.082 1.210 593 2HD2 LEU 76 HD22 LEU 76 -8.886 -0.949 -0.295 594 3HD2 LEU 76 HD23 LEU 76 -8.963 0.815 -0.290 595 H ILE 77 HN ILE 77 -4.888 -1.354 0.212 596 HA ILE 77 HA ILE 77 -4.876 -1.860 -2.686 597 HB ILE 77 HB ILE 77 -2.758 -2.941 -0.826 598 1HG1 ILE 77 HG12 ILE 77 -2.852 -0.501 -2.588 599 2HG1 ILE 77 HG11 ILE 77 -2.289 -0.636 -0.925 600 1HG2 ILE 77 HG21 ILE 77 -2.413 -2.784 -3.780 601 2HG2 ILE 77 HG22 ILE 77 -3.581 -3.967 -3.193 602 3HG2 ILE 77 HG23 ILE 77 -1.906 -4.044 -2.656 603 1HD1 ILE 77 HD11 ILE 77 -0.312 -1.835 -1.613 604 2HD1 ILE 77 HD12 ILE 77 -0.438 -0.390 -2.616 605 3HD1 ILE 77 HD13 ILE 77 -0.902 -1.959 -3.271 606 H ARG 78 HN ARG 78 -6.608 -3.243 -2.833 607 HA ARG 78 HA ARG 78 -7.292 -5.054 -0.668 608 1HB ARG 78 HB2 ARG 78 -9.089 -4.364 -2.077 609 2HB ARG 78 HB1 ARG 78 -8.205 -4.799 -3.539 610 1HG ARG 78 HG2 ARG 78 -8.263 -7.198 -2.772 611 2HG ARG 78 HG1 ARG 78 -9.326 -6.694 -1.457 612 1HD ARG 78 HD2 ARG 78 -11.031 -5.991 -2.980 613 2HD ARG 78 HD1 ARG 78 -9.940 -6.109 -4.361 614 HE ARG 78 HE ARG 78 -9.990 -8.685 -3.356 615 1HH1 ARG 78 HH11 ARG 78 -12.098 -6.404 -4.806 616 2HH1 ARG 78 HH12 ARG 78 -13.364 -7.548 -5.100 617 1HH2 ARG 78 HH21 ARG 78 -11.731 -10.164 -3.515 618 2HH2 ARG 78 HH22 ARG 78 -13.157 -9.676 -4.369 619 H LYS 79 HN LYS 79 -5.909 -6.712 -0.182 620 HA LYS 79 HA LYS 79 -4.017 -7.905 -1.962 621 1HB LYS 79 HB2 LYS 79 -4.339 -8.051 0.667 622 2HB LYS 79 HB1 LYS 79 -5.212 -9.524 0.247 623 1HG LYS 79 HG2 LYS 79 -2.787 -9.393 -1.291 624 2HG LYS 79 HG1 LYS 79 -2.400 -9.163 0.415 625 1HD LYS 79 HD2 LYS 79 -3.584 -11.210 1.005 626 2HD LYS 79 HD1 LYS 79 -4.117 -11.419 -0.664 627 1HE LYS 79 HE2 LYS 79 -1.886 -11.817 -1.425 628 2HE LYS 79 HE1 LYS 79 -1.195 -11.274 0.104 629 1HZ LYS 79 HZ1 LYS 79 -1.846 -13.183 1.180 630 2HZ LYS 79 HZ2 LYS 79 -1.445 -13.788 -0.357 631 3HZ LYS 79 HZ3 LYS 79 -3.072 -13.540 0.063 632 H GLY 80 HN GLY 80 -4.234 -9.533 -3.439 633 1HA GLY 80 HA2 GLY 80 -6.385 -11.462 -3.384 634 2HA GLY 80 HA1 GLY 80 -6.679 -10.217 -4.599 635 H GLY 81 HN GLY 81 -6.448 -12.343 -5.935 636 1HA GLY 81 HA2 GLY 81 -4.483 -12.339 -7.753 637 2HA GLY 81 HA1 GLY 81 -3.625 -13.096 -6.410 Start of MODEL 8 1 1H MET 1 HT1 MET 1 -20.292 8.827 -1.690 2 2H MET 1 HT2 MET 1 -19.467 10.305 -1.839 3 3H MET 1 HT3 MET 1 -21.106 10.285 -1.393 4 HA MET 1 HA MET 1 -19.026 10.440 0.326 5 1HB MET 1 HB2 MET 1 -21.468 10.948 0.691 6 2HB MET 1 HB1 MET 1 -21.738 9.218 0.912 7 1HG MET 1 HG2 MET 1 -20.779 9.203 2.979 8 2HG MET 1 HG1 MET 1 -19.520 10.344 2.509 9 1HE MET 1 HE1 MET 1 -21.435 11.726 5.652 10 2HE MET 1 HE2 MET 1 -20.296 10.499 5.104 11 3HE MET 1 HE3 MET 1 -22.015 10.122 5.180 12 H THR 2 HN THR 2 -18.236 8.239 -1.242 13 HA THR 2 HA THR 2 -18.490 5.930 0.635 14 HB THR 2 HB THR 2 -17.415 5.911 -2.199 15 HG1 THR 2 HG1 THR 2 -20.003 5.288 -1.221 16 1HG2 THR 2 HG21 THR 2 -17.386 4.012 -0.107 17 2HG2 THR 2 HG22 THR 2 -16.975 3.743 -1.801 18 3HG2 THR 2 HG23 THR 2 -18.625 3.474 -1.240 19 H ASP 3 HN ASP 3 -16.743 5.458 1.879 20 HA ASP 3 HA ASP 3 -14.161 6.782 1.210 21 1HB ASP 3 HB2 ASP 3 -14.980 5.409 3.788 22 2HB ASP 3 HB1 ASP 3 -13.557 6.422 3.535 23 H LEU 4 HN LEU 4 -12.991 5.435 -0.107 24 HA LEU 4 HA LEU 4 -13.160 2.543 0.061 25 1HB LEU 4 HB2 LEU 4 -11.350 4.466 -1.403 26 2HB LEU 4 HB1 LEU 4 -11.065 2.726 -1.445 27 HG LEU 4 HG LEU 4 -13.775 3.884 -2.094 28 1HD1 LEU 4 HD11 LEU 4 -12.929 3.466 -4.533 29 2HD1 LEU 4 HD12 LEU 4 -11.324 3.652 -3.826 30 3HD1 LEU 4 HD13 LEU 4 -12.490 4.971 -3.728 31 1HD2 LEU 4 HD21 LEU 4 -13.911 1.738 -3.391 32 2HD2 LEU 4 HD22 LEU 4 -13.695 1.490 -1.658 33 3HD2 LEU 4 HD23 LEU 4 -12.325 1.300 -2.753 34 H PHE 5 HN PHE 5 -11.214 4.996 1.582 35 HA PHE 5 HA PHE 5 -9.186 3.064 2.489 36 1HB PHE 5 HB2 PHE 5 -9.583 6.018 2.674 37 2HB PHE 5 HB1 PHE 5 -8.594 5.246 3.912 38 HD1 PHE 5 HD1 PHE 5 -6.647 6.555 2.990 39 HD2 PHE 5 HD2 PHE 5 -8.720 3.606 0.671 40 HE1 PHE 5 HE1 PHE 5 -4.760 6.431 1.398 41 HE2 PHE 5 HE2 PHE 5 -6.796 3.504 -0.889 42 HZ PHE 5 HZ PHE 5 -4.819 4.968 -0.555 43 H SER 6 HN SER 6 -12.210 3.159 3.293 44 HA SER 6 HA SER 6 -12.592 3.796 5.974 45 1HB SER 6 HB2 SER 6 -13.550 1.278 4.579 46 2HB SER 6 HB1 SER 6 -14.231 1.953 6.057 47 HG SER 6 HG SER 6 -15.261 2.521 3.968 48 H SER 7 HN SER 7 -12.762 1.998 7.800 49 HA SER 7 HA SER 7 -10.214 1.289 8.653 50 1HB SER 7 HB2 SER 7 -11.289 -0.361 10.125 51 2HB SER 7 HB1 SER 7 -12.244 1.118 10.064 52 HG SER 7 HG SER 7 -13.285 -1.083 9.728 53 HA PRO 8 HA PRO 8 -9.483 -1.767 5.406 54 1HB PRO 8 HB2 PRO 8 -6.750 -1.650 5.639 55 2HB PRO 8 HB1 PRO 8 -7.702 -0.501 4.684 56 1HG PRO 8 HG2 PRO 8 -6.408 -0.108 7.346 57 2HG PRO 8 HG1 PRO 8 -6.771 1.083 6.088 58 1HD PRO 8 HD2 PRO 8 -8.266 0.681 8.442 59 2HD PRO 8 HD1 PRO 8 -8.804 1.586 7.013 60 H ASP 9 HN ASP 9 -8.155 -3.870 5.483 61 HA ASP 9 HA ASP 9 -8.579 -5.146 8.089 62 1HB ASP 9 HB2 ASP 9 -7.497 -6.185 5.452 63 2HB ASP 9 HB1 ASP 9 -7.735 -7.189 6.883 64 H HIS 10 HN HIS 10 -5.955 -3.746 6.303 65 HA HIS 10 HA HIS 10 -4.128 -4.365 8.561 66 1HB HIS 10 HB2 HIS 10 -3.753 -5.129 5.674 67 2HB HIS 10 HB1 HIS 10 -2.356 -4.779 6.685 68 HD1 HIS 10 HD1 HIS 10 -1.474 -6.758 7.928 69 HD2 HIS 10 HD2 HIS 10 -5.534 -7.161 7.067 70 HE1 HIS 10 HE1 HIS 10 -2.162 -9.044 8.776 71 H THR 11 HN THR 11 -1.989 -3.030 8.163 72 HA THR 11 HA THR 11 -2.498 -0.577 6.580 73 HB THR 11 HB THR 11 -1.746 -0.541 9.503 74 HG1 THR 11 HG1 THR 11 -3.794 -0.056 9.899 75 1HG2 THR 11 HG21 THR 11 -2.363 1.972 9.051 76 2HG2 THR 11 HG22 THR 11 -2.028 1.553 7.371 77 3HG2 THR 11 HG23 THR 11 -0.768 1.374 8.593 78 H LEU 12 HN LEU 12 -0.497 0.720 6.368 79 HA LEU 12 HA LEU 12 2.028 -0.645 7.116 80 1HB LEU 12 HB2 LEU 12 1.690 -1.625 4.958 81 2HB LEU 12 HB1 LEU 12 1.146 -0.094 4.281 82 HG LEU 12 HG LEU 12 3.361 0.834 4.266 83 1HD1 LEU 12 HD11 LEU 12 4.184 0.396 6.430 84 2HD1 LEU 12 HD12 LEU 12 5.230 -0.582 5.407 85 3HD1 LEU 12 HD13 LEU 12 3.907 -1.339 6.295 86 1HD2 LEU 12 HD21 LEU 12 3.312 -0.733 2.502 87 2HD2 LEU 12 HD22 LEU 12 3.346 -2.114 3.598 88 3HD2 LEU 12 HD23 LEU 12 4.793 -1.132 3.368 89 H ASP 13 HN ASP 13 3.047 1.054 8.142 90 HA ASP 13 HA ASP 13 2.643 3.806 7.181 91 1HB ASP 13 HB2 ASP 13 2.979 3.318 9.616 92 2HB ASP 13 HB1 ASP 13 4.604 2.736 9.247 93 H ALA 14 HN ALA 14 4.203 4.952 5.888 94 HA ALA 14 HA ALA 14 6.733 3.514 5.356 95 1HB ALA 14 HB1 ALA 14 6.328 2.920 3.236 96 2HB ALA 14 HB2 ALA 14 5.503 4.435 2.869 97 3HB ALA 14 HB3 ALA 14 4.629 3.118 3.656 98 H LEU 15 HN LEU 15 5.578 5.954 6.539 99 HA LEU 15 HA LEU 15 6.744 8.190 5.096 100 1HB LEU 15 HB2 LEU 15 5.941 8.309 7.962 101 2HB LEU 15 HB1 LEU 15 5.741 9.483 6.673 102 HG LEU 15 HG LEU 15 4.154 6.945 7.046 103 1HD1 LEU 15 HD11 LEU 15 3.772 9.430 8.155 104 2HD1 LEU 15 HD12 LEU 15 2.499 8.243 7.873 105 3HD1 LEU 15 HD13 LEU 15 2.790 9.520 6.692 106 1HD2 LEU 15 HD21 LEU 15 3.785 8.999 4.867 107 2HD2 LEU 15 HD22 LEU 15 3.100 7.382 4.971 108 3HD2 LEU 15 HD23 LEU 15 4.814 7.589 4.640 109 H GLY 16 HN GLY 16 8.870 8.050 5.031 110 1HA GLY 16 HA2 GLY 16 11.021 8.470 6.116 111 2HA GLY 16 HA1 GLY 16 10.376 7.708 7.578 112 H LEU 17 HN LEU 17 9.181 5.922 5.121 113 HA LEU 17 HA LEU 17 11.270 3.847 5.375 114 1HB LEU 17 HB2 LEU 17 8.448 3.791 4.260 115 2HB LEU 17 HB1 LEU 17 9.539 2.410 4.271 116 HG LEU 17 HG LEU 17 8.096 3.710 6.531 117 1HD1 LEU 17 HD11 LEU 17 8.959 0.864 6.453 118 2HD1 LEU 17 HD12 LEU 17 7.843 1.374 5.186 119 3HD1 LEU 17 HD13 LEU 17 7.391 1.546 6.882 120 1HD2 LEU 17 HD21 LEU 17 10.302 3.994 7.351 121 2HD2 LEU 17 HD22 LEU 17 10.831 2.452 6.676 122 3HD2 LEU 17 HD23 LEU 17 9.736 2.481 8.059 123 H ARG 18 HN ARG 18 12.148 2.950 3.446 124 HA ARG 18 HA ARG 18 11.343 4.334 0.960 125 1HB ARG 18 HB2 ARG 18 13.841 4.633 0.425 126 2HB ARG 18 HB1 ARG 18 13.073 5.746 1.556 127 1HG ARG 18 HG2 ARG 18 13.922 3.704 3.215 128 2HG ARG 18 HG1 ARG 18 15.222 3.803 2.029 129 1HD ARG 18 HD2 ARG 18 15.105 6.363 2.424 130 2HD ARG 18 HD1 ARG 18 14.210 5.949 3.886 131 HE ARG 18 HE ARG 18 17.048 5.229 3.348 132 1HH1 ARG 18 HH11 ARG 18 15.400 3.259 5.021 133 2HH1 ARG 18 HH12 ARG 18 15.772 3.803 6.624 134 1HH2 ARG 18 HH21 ARG 18 17.057 6.848 5.574 135 2HH2 ARG 18 HH22 ARG 18 16.710 5.837 6.936 136 H CYS 19 HN CYS 19 11.839 3.136 -0.901 137 HA CYS 19 HA CYS 19 11.621 0.358 -0.733 138 1HB CYS 19 HB2 CYS 19 11.309 1.362 -2.854 139 2HB CYS 19 HB1 CYS 19 12.919 2.075 -2.851 140 HG CYS 19 HG CYS 19 13.415 0.005 -4.186 141 HA PRO 20 HA PRO 20 12.039 -1.447 -1.364 142 1HB PRO 20 HB2 PRO 20 12.830 -3.846 -0.326 143 2HB PRO 20 HB1 PRO 20 13.437 -3.225 -1.870 144 1HG PRO 20 HG2 PRO 20 14.832 -3.409 0.752 145 2HG PRO 20 HG1 PRO 20 15.517 -3.360 -0.878 146 1HD PRO 20 HD2 PRO 20 15.352 -1.198 0.977 147 2HD PRO 20 HD1 PRO 20 15.875 -1.113 -0.718 148 H GLU 21 HN GLU 21 13.008 -0.467 1.656 149 HA GLU 21 HA GLU 21 11.837 -2.158 3.520 150 1HB GLU 21 HB2 GLU 21 12.319 0.754 3.507 151 2HB GLU 21 HB1 GLU 21 11.440 0.051 4.856 152 1HG GLU 21 HG2 GLU 21 13.758 -1.558 4.202 153 2HG GLU 21 HG1 GLU 21 14.236 0.113 4.506 154 HA PRO 22 HA PRO 22 7.667 0.114 3.330 155 1HB PRO 22 HB2 PRO 22 7.155 1.405 0.949 156 2HB PRO 22 HB1 PRO 22 7.805 2.204 2.380 157 1HG PRO 22 HG2 PRO 22 9.214 1.385 -0.115 158 2HG PRO 22 HG1 PRO 22 9.574 2.726 0.988 159 1HD PRO 22 HD2 PRO 22 10.956 0.308 0.920 160 2HD PRO 22 HD1 PRO 22 10.959 1.420 2.297 161 H VAL 23 HN VAL 23 8.503 -0.443 -0.060 162 HA VAL 23 HA VAL 23 6.346 -2.078 -0.792 163 HB VAL 23 HB VAL 23 9.228 -2.564 -1.570 164 1HG1 VAL 23 HG11 VAL 23 7.322 -2.726 -3.709 165 2HG1 VAL 23 HG12 VAL 23 6.740 -3.703 -2.362 166 3HG1 VAL 23 HG13 VAL 23 8.335 -4.010 -3.048 167 1HG2 VAL 23 HG21 VAL 23 7.519 -0.230 -1.988 168 2HG2 VAL 23 HG22 VAL 23 8.052 -0.938 -3.513 169 3HG2 VAL 23 HG23 VAL 23 9.241 -0.426 -2.316 170 H MET 24 HN MET 24 9.087 -2.731 1.289 171 HA MET 24 HA MET 24 8.868 -5.627 1.213 172 1HB MET 24 HB2 MET 24 10.290 -3.615 2.909 173 2HB MET 24 HB1 MET 24 10.114 -5.254 3.532 174 1HG MET 24 HG2 MET 24 11.126 -4.755 0.735 175 2HG MET 24 HG1 MET 24 12.220 -4.733 2.118 176 1HE MET 24 HE1 MET 24 13.009 -6.158 3.262 177 2HE MET 24 HE2 MET 24 13.588 -7.518 2.305 178 3HE MET 24 HE3 MET 24 12.477 -7.801 3.644 179 H MET 25 HN MET 25 7.645 -3.110 3.417 180 HA MET 25 HA MET 25 6.485 -4.865 5.330 181 1HB MET 25 HB2 MET 25 5.981 -2.032 4.486 182 2HB MET 25 HB1 MET 25 4.819 -2.820 5.554 183 1HG MET 25 HG2 MET 25 7.394 -3.453 6.558 184 2HG MET 25 HG1 MET 25 7.400 -1.724 6.209 185 1HE MET 25 HE1 MET 25 7.530 -3.690 8.729 186 2HE MET 25 HE2 MET 25 6.533 -3.049 10.033 187 3HE MET 25 HE3 MET 25 7.733 -2.016 9.261 188 H VAL 26 HN VAL 26 5.148 -3.478 2.330 189 HA VAL 26 HA VAL 26 2.538 -4.638 2.652 190 HB VAL 26 HB VAL 26 4.071 -3.906 0.143 191 1HG1 VAL 26 HG11 VAL 26 2.349 -4.708 -1.098 192 2HG1 VAL 26 HG12 VAL 26 1.164 -3.922 -0.060 193 3HG1 VAL 26 HG13 VAL 26 1.777 -5.520 0.356 194 1HG2 VAL 26 HG21 VAL 26 2.336 -2.485 2.080 195 2HG2 VAL 26 HG22 VAL 26 2.003 -2.157 0.379 196 3HG2 VAL 26 HG23 VAL 26 3.610 -1.850 1.039 197 H ARG 27 HN ARG 27 5.597 -5.911 1.487 198 HA ARG 27 HA ARG 27 4.541 -8.248 0.188 199 1HB ARG 27 HB2 ARG 27 7.208 -7.547 1.370 200 2HB ARG 27 HB1 ARG 27 6.871 -9.216 0.891 201 1HG ARG 27 HG2 ARG 27 6.222 -7.007 -1.020 202 2HG ARG 27 HG1 ARG 27 7.901 -7.507 -0.844 203 1HD ARG 27 HD2 ARG 27 6.900 -9.931 -1.088 204 2HD ARG 27 HD1 ARG 27 5.557 -9.085 -1.855 205 HE ARG 27 HE ARG 27 7.022 -8.459 -3.650 206 1HH1 ARG 27 HH11 ARG 27 8.105 -11.097 -1.938 207 2HH1 ARG 27 HH12 ARG 27 9.756 -10.993 -2.450 208 1HH2 ARG 27 HH21 ARG 27 9.370 -7.890 -3.950 209 2HH2 ARG 27 HH22 ARG 27 10.474 -9.176 -3.589 210 H LYS 28 HN LYS 28 5.927 -7.852 3.421 211 HA LYS 28 HA LYS 28 5.350 -10.490 4.350 212 1HB LYS 28 HB2 LYS 28 6.033 -7.881 5.630 213 2HB LYS 28 HB1 LYS 28 5.317 -9.121 6.660 214 1HG LYS 28 HG2 LYS 28 7.359 -10.244 4.920 215 2HG LYS 28 HG1 LYS 28 8.008 -8.938 5.911 216 1HD LYS 28 HD2 LYS 28 6.720 -10.116 7.860 217 2HD LYS 28 HD1 LYS 28 6.738 -11.519 6.789 218 1HE LYS 28 HE2 LYS 28 8.814 -11.945 7.565 219 2HE LYS 28 HE1 LYS 28 9.345 -10.530 6.658 220 1HZ LYS 28 HZ1 LYS 28 8.422 -10.585 9.479 221 2HZ LYS 28 HZ2 LYS 28 8.782 -9.168 8.613 222 3HZ LYS 28 HZ3 LYS 28 10.003 -10.303 8.936 223 H THR 29 HN THR 29 3.564 -7.476 4.505 224 HA THR 29 HA THR 29 1.301 -8.421 5.997 225 HB THR 29 HB THR 29 2.047 -6.137 4.259 226 HG1 THR 29 HG1 THR 29 0.542 -5.900 6.578 227 1HG2 THR 29 HG21 THR 29 -0.846 -6.500 5.048 228 2HG2 THR 29 HG22 THR 29 -0.232 -6.833 3.427 229 3HG2 THR 29 HG23 THR 29 -0.144 -5.203 4.082 230 H VAL 30 HN VAL 30 2.249 -8.358 2.656 231 HA VAL 30 HA VAL 30 -0.241 -9.268 1.512 232 HB VAL 30 HB VAL 30 2.642 -9.129 0.634 233 1HG1 VAL 30 HG11 VAL 30 1.872 -9.932 -1.602 234 2HG1 VAL 30 HG12 VAL 30 0.344 -10.397 -0.855 235 3HG1 VAL 30 HG13 VAL 30 1.845 -11.175 -0.352 236 1HG2 VAL 30 HG21 VAL 30 1.933 -7.388 -0.748 237 2HG2 VAL 30 HG22 VAL 30 0.847 -7.189 0.626 238 3HG2 VAL 30 HG23 VAL 30 0.281 -7.995 -0.835 239 H ARG 31 HN ARG 31 2.535 -10.684 3.005 240 HA ARG 31 HA ARG 31 1.997 -13.433 2.202 241 1HB ARG 31 HB2 ARG 31 3.747 -12.215 4.356 242 2HB ARG 31 HB1 ARG 31 3.691 -13.942 4.004 243 1HG ARG 31 HG2 ARG 31 4.496 -13.559 1.736 244 2HG ARG 31 HG1 ARG 31 4.410 -11.817 1.958 245 1HD ARG 31 HD2 ARG 31 6.409 -11.755 2.998 246 2HD ARG 31 HD1 ARG 31 5.978 -13.100 4.054 247 HE ARG 31 HE ARG 31 7.763 -13.369 1.942 248 1HH1 ARG 31 HH21 ARG 31 6.516 -15.561 3.775 249 2HH1 ARG 31 HH22 ARG 31 5.978 -16.684 2.571 250 1HH2 ARG 31 HH11 ARG 31 6.281 -14.431 -0.047 251 2HH2 ARG 31 HH12 ARG 31 5.843 -16.045 0.409 252 H ASN 32 HN ASN 32 1.147 -11.257 4.824 253 HA ASN 32 HA ASN 32 -0.217 -13.512 6.226 254 1HB ASN 32 HB2 ASN 32 -0.351 -12.058 8.163 255 2HB ASN 32 HB1 ASN 32 1.305 -12.034 7.562 256 1HD2 ASN 32 HD21 ASN 32 1.627 -9.882 8.533 257 2HD2 ASN 32 HD22 ASN 32 0.953 -8.499 7.820 258 H MET 33 HN MET 33 -0.911 -11.370 3.864 259 HA MET 33 HA MET 33 -3.577 -10.581 4.850 260 1HB MET 33 HB2 MET 33 -1.881 -9.902 2.493 261 2HB MET 33 HB1 MET 33 -3.629 -9.801 2.283 262 1HG MET 33 HG2 MET 33 -3.507 -8.505 4.585 263 2HG MET 33 HG1 MET 33 -1.847 -8.208 4.091 264 1HE MET 33 HE1 MET 33 -5.724 -7.226 3.208 265 2HE MET 33 HE2 MET 33 -5.161 -8.773 2.581 266 3HE MET 33 HE3 MET 33 -5.486 -7.445 1.471 267 H GLN 34 HN GLN 34 -5.422 -10.980 3.257 268 HA GLN 34 HA GLN 34 -5.211 -13.684 2.009 269 1HB GLN 34 HB2 GLN 34 -7.468 -12.636 3.751 270 2HB GLN 34 HB1 GLN 34 -7.514 -14.152 2.850 271 1HG GLN 34 HG2 GLN 34 -5.166 -14.468 4.163 272 2HG GLN 34 HG1 GLN 34 -6.037 -13.474 5.332 273 1HE2 GLN 34 HE21 GLN 34 -8.708 -14.501 4.633 274 2HE2 GLN 34 HE22 GLN 34 -8.781 -16.097 5.207 275 HA PRO 35 HA PRO 35 -7.052 -11.700 -1.408 276 1HB PRO 35 HB2 PRO 35 -8.519 -13.783 -2.477 277 2HB PRO 35 HB1 PRO 35 -6.766 -13.608 -2.652 278 1HG PRO 35 HG2 PRO 35 -8.303 -15.439 -0.851 279 2HG PRO 35 HG1 PRO 35 -6.713 -15.674 -1.595 280 1HD PRO 35 HD2 PRO 35 -7.120 -14.951 1.077 281 2HD PRO 35 HD1 PRO 35 -5.608 -14.693 0.179 282 H GLY 36 HN GLY 36 -8.690 -10.292 -1.339 283 1HA GLY 36 HA2 GLY 36 -11.064 -9.749 -1.353 284 2HA GLY 36 HA1 GLY 36 -11.340 -11.147 -0.302 285 H GLU 37 HN GLU 37 -8.533 -9.203 0.280 286 HA GLU 37 HA GLU 37 -9.898 -8.035 2.681 287 1HB GLU 37 HB2 GLU 37 -7.248 -9.367 2.321 288 2HB GLU 37 HB1 GLU 37 -7.365 -8.056 3.486 289 1HG GLU 37 HG2 GLU 37 -9.401 -9.256 4.446 290 2HG GLU 37 HG1 GLU 37 -8.942 -10.633 3.445 291 H THR 38 HN THR 38 -8.161 -6.193 3.537 292 HA THR 38 HA THR 38 -7.329 -4.576 1.188 293 HB THR 38 HB THR 38 -8.384 -2.589 2.604 294 HG1 THR 38 HG1 THR 38 -9.629 -3.299 4.116 295 1HG2 THR 38 HG21 THR 38 -9.490 -4.431 0.549 296 2HG2 THR 38 HG22 THR 38 -9.213 -2.691 0.469 297 3HG2 THR 38 HG23 THR 38 -10.630 -3.321 1.309 298 H LEU 39 HN LEU 39 -5.770 -2.950 1.687 299 HA LEU 39 HA LEU 39 -4.607 -2.986 4.435 300 1HB LEU 39 HB2 LEU 39 -3.283 -4.632 3.282 301 2HB LEU 39 HB1 LEU 39 -3.157 -3.617 1.847 302 HG LEU 39 HG LEU 39 -2.084 -1.911 3.607 303 1HD1 LEU 39 HD11 LEU 39 -1.976 -4.600 4.880 304 2HD1 LEU 39 HD12 LEU 39 -2.080 -3.006 5.627 305 3HD1 LEU 39 HD13 LEU 39 -0.540 -3.584 4.996 306 1HD2 LEU 39 HD21 LEU 39 -0.910 -2.637 1.634 307 2HD2 LEU 39 HD22 LEU 39 -0.738 -4.271 2.271 308 3HD2 LEU 39 HD23 LEU 39 0.156 -2.941 3.005 309 H LEU 40 HN LEU 40 -4.551 -0.822 4.983 310 HA LEU 40 HA LEU 40 -4.391 1.216 2.858 311 1HB LEU 40 HB2 LEU 40 -5.946 1.770 4.582 312 2HB LEU 40 HB1 LEU 40 -4.805 1.337 5.856 313 HG LEU 40 HG LEU 40 -3.318 3.209 5.036 314 1HD1 LEU 40 HD11 LEU 40 -4.235 3.395 2.767 315 2HD1 LEU 40 HD12 LEU 40 -4.406 4.932 3.616 316 3HD1 LEU 40 HD13 LEU 40 -5.801 3.870 3.423 317 1HD2 LEU 40 HD21 LEU 40 -4.869 5.027 5.944 318 2HD2 LEU 40 HD22 LEU 40 -4.633 3.629 6.993 319 3HD2 LEU 40 HD23 LEU 40 -6.114 3.782 6.047 320 H ILE 41 HN ILE 41 -2.565 2.540 2.578 321 HA ILE 41 HA ILE 41 -0.229 1.950 4.338 322 HB ILE 41 HB ILE 41 0.011 2.157 1.335 323 1HG1 ILE 41 HG12 ILE 41 -0.763 -0.210 3.044 324 2HG1 ILE 41 HG11 ILE 41 -1.432 0.314 1.509 325 1HG2 ILE 41 HG21 ILE 41 1.872 0.412 2.684 326 2HG2 ILE 41 HG22 ILE 41 1.826 1.966 3.509 327 3HG2 ILE 41 HG23 ILE 41 2.200 1.893 1.788 328 1HD1 ILE 41 HD11 ILE 41 1.257 -0.172 0.939 329 2HD1 ILE 41 HD12 ILE 41 -0.109 -1.203 0.512 330 3HD1 ILE 41 HD13 ILE 41 0.782 -1.492 2.005 331 H ILE 42 HN ILE 42 1.317 3.673 4.463 332 HA ILE 42 HA ILE 42 0.533 6.169 3.061 333 HB ILE 42 HB ILE 42 1.868 6.234 5.750 334 1HG1 ILE 42 HG12 ILE 42 -1.058 5.779 5.169 335 2HG1 ILE 42 HG11 ILE 42 -0.025 4.946 6.335 336 1HG2 ILE 42 HG21 ILE 42 1.522 8.462 5.522 337 2HG2 ILE 42 HG22 ILE 42 -0.167 8.225 5.080 338 3HG2 ILE 42 HG23 ILE 42 1.086 8.126 3.849 339 1HD1 ILE 42 HD11 ILE 42 -1.468 6.535 7.499 340 2HD1 ILE 42 HD12 ILE 42 -0.889 7.839 6.462 341 3HD1 ILE 42 HD13 ILE 42 0.212 7.060 7.597 342 H ALA 43 HN ALA 43 2.472 7.566 2.803 343 HA ALA 43 HA ALA 43 5.077 6.365 3.226 344 1HB ALA 43 HB1 ALA 43 4.789 6.757 0.349 345 2HB ALA 43 HB2 ALA 43 3.719 5.493 0.954 346 3HB ALA 43 HB3 ALA 43 5.458 5.383 1.229 347 H ASP 44 HN ASP 44 6.477 8.026 3.394 348 HA ASP 44 HA ASP 44 5.643 10.590 2.144 349 1HB ASP 44 HB2 ASP 44 7.021 11.759 3.717 350 2HB ASP 44 HB1 ASP 44 6.057 10.625 4.648 351 H ASP 45 HN ASP 45 7.905 7.995 2.267 352 HA ASP 45 HA ASP 45 10.068 9.227 0.858 353 1HB ASP 45 HB2 ASP 45 10.559 7.170 1.766 354 2HB ASP 45 HB1 ASP 45 9.024 6.490 1.269 355 HA PRO 46 HA PRO 46 8.030 9.834 -3.020 356 1HB PRO 46 HB2 PRO 46 10.281 10.275 -4.533 357 2HB PRO 46 HB1 PRO 46 9.592 11.480 -3.431 358 1HG PRO 46 HG2 PRO 46 12.038 9.810 -3.099 359 2HG PRO 46 HG1 PRO 46 11.651 11.384 -2.385 360 1HD PRO 46 HD2 PRO 46 11.489 8.881 -1.073 361 2HD PRO 46 HD1 PRO 46 10.806 10.408 -0.491 362 H ALA 47 HN ALA 47 10.360 7.392 -2.445 363 HA ALA 47 HA ALA 47 9.976 6.103 -5.078 364 1HB ALA 47 HB1 ALA 47 11.394 4.661 -2.901 365 2HB ALA 47 HB2 ALA 47 12.131 6.168 -3.442 366 3HB ALA 47 HB3 ALA 47 11.843 4.863 -4.594 367 H THR 48 HN THR 48 8.245 6.212 -2.244 368 HA THR 48 HA THR 48 7.477 3.364 -2.238 369 HB THR 48 HB THR 48 5.790 4.273 -0.482 370 HG1 THR 48 HG1 THR 48 6.062 6.461 -1.150 371 1HG2 THR 48 HG21 THR 48 8.417 3.402 -0.348 372 2HG2 THR 48 HG22 THR 48 7.319 3.577 1.021 373 3HG2 THR 48 HG23 THR 48 8.429 4.881 0.607 374 H THR 49 HN THR 49 6.070 6.509 -3.107 375 HA THR 49 HA THR 49 3.449 5.605 -3.741 376 HB THR 49 HB THR 49 3.130 7.654 -4.769 377 HG1 THR 49 HG1 THR 49 4.637 8.551 -6.158 378 1HG2 THR 49 HG21 THR 49 4.693 7.808 -2.601 379 2HG2 THR 49 HG22 THR 49 4.202 9.240 -3.508 380 3HG2 THR 49 HG23 THR 49 5.794 8.528 -3.775 381 H ARG 50 HN ARG 50 6.491 5.391 -5.451 382 HA ARG 50 HA ARG 50 5.117 4.272 -7.835 383 1HB ARG 50 HB2 ARG 50 7.945 5.137 -7.272 384 2HB ARG 50 HB1 ARG 50 7.519 4.251 -8.735 385 1HG ARG 50 HG2 ARG 50 5.575 6.212 -8.636 386 2HG ARG 50 HG1 ARG 50 7.004 7.056 -8.038 387 1HD ARG 50 HD2 ARG 50 6.977 5.398 -10.575 388 2HD ARG 50 HD1 ARG 50 6.725 7.144 -10.546 389 HE ARG 50 HE ARG 50 9.086 6.913 -9.203 390 1HH1 ARG 50 HH21 ARG 50 8.103 6.892 -12.379 391 2HH1 ARG 50 HH22 ARG 50 9.550 6.194 -13.024 392 1HH2 ARG 50 HH11 ARG 50 10.880 5.424 -9.916 393 2HH2 ARG 50 HH12 ARG 50 11.122 5.362 -11.629 394 H ASP 51 HN ASP 51 7.428 3.242 -5.354 395 HA ASP 51 HA ASP 51 7.698 0.607 -6.615 396 1HB ASP 51 HB2 ASP 51 8.799 1.736 -4.031 397 2HB ASP 51 HB1 ASP 51 9.195 0.138 -4.669 398 H ILE 52 HN ILE 52 6.309 1.795 -3.533 399 HA ILE 52 HA ILE 52 5.619 -0.725 -2.495 400 HB ILE 52 HB ILE 52 4.578 2.036 -2.116 401 1HG1 ILE 52 HG12 ILE 52 5.681 -0.187 -0.394 402 2HG1 ILE 52 HG11 ILE 52 6.431 1.362 -0.778 403 1HG2 ILE 52 HG21 ILE 52 2.825 1.205 -0.547 404 2HG2 ILE 52 HG22 ILE 52 3.129 -0.438 -1.115 405 3HG2 ILE 52 HG23 ILE 52 2.477 0.771 -2.221 406 1HD1 ILE 52 HD11 ILE 52 5.497 2.228 1.075 407 2HD1 ILE 52 HD12 ILE 52 4.637 0.719 1.380 408 3HD1 ILE 52 HD13 ILE 52 3.909 1.957 0.359 409 HA PRO 53 HA PRO 53 1.501 -0.584 -4.810 410 1HB PRO 53 HB2 PRO 53 1.337 1.185 -6.905 411 2HB PRO 53 HB1 PRO 53 0.745 1.511 -5.266 412 1HG PRO 53 HG2 PRO 53 3.184 2.543 -6.637 413 2HG PRO 53 HG1 PRO 53 2.241 3.278 -5.329 414 1HD PRO 53 HD2 PRO 53 4.697 1.946 -5.023 415 2HD PRO 53 HD1 PRO 53 3.563 2.328 -3.709 416 H GLY 54 HN GLY 54 4.125 0.491 -6.995 417 1HA GLY 54 HA2 GLY 54 3.572 -1.209 -9.151 418 2HA GLY 54 HA1 GLY 54 5.221 -0.766 -8.676 419 H PHE 55 HN PHE 55 4.723 -1.967 -5.942 420 HA PHE 55 HA PHE 55 5.541 -4.684 -6.667 421 1HB PHE 55 HB2 PHE 55 6.659 -4.097 -4.749 422 2HB PHE 55 HB1 PHE 55 5.348 -3.072 -4.164 423 HD1 PHE 55 HD1 PHE 55 5.351 -6.666 -5.228 424 HD2 PHE 55 HD2 PHE 55 4.774 -3.863 -2.035 425 HE1 PHE 55 HE1 PHE 55 4.530 -8.489 -3.780 426 HE2 PHE 55 HE2 PHE 55 3.957 -5.694 -0.594 427 HZ PHE 55 HZ PHE 55 3.824 -8.005 -1.463 428 H CYS 56 HN CYS 56 2.742 -3.281 -4.869 429 HA CYS 56 HA CYS 56 1.351 -5.698 -4.486 430 1HB CYS 56 HB2 CYS 56 0.424 -2.876 -4.981 431 2HB CYS 56 HB1 CYS 56 -0.732 -4.185 -4.729 432 HG CYS 56 HG CYS 56 0.019 -4.433 -2.330 433 H THR 57 HN THR 57 1.533 -3.669 -7.380 434 HA THR 57 HA THR 57 -0.459 -5.119 -8.868 435 HB THR 57 HB THR 57 1.936 -3.583 -9.915 436 HG1 THR 57 HG1 THR 57 0.296 -1.915 -10.083 437 1HG2 THR 57 HG21 THR 57 -0.361 -3.387 -11.572 438 2HG2 THR 57 HG22 THR 57 -0.142 -5.095 -11.193 439 3HG2 THR 57 HG23 THR 57 1.170 -4.182 -11.937 440 H PHE 58 HN PHE 58 3.006 -5.565 -8.395 441 HA PHE 58 HA PHE 58 3.361 -7.544 -10.447 442 1HB PHE 58 HB2 PHE 58 5.143 -6.163 -9.211 443 2HB PHE 58 HB1 PHE 58 5.000 -7.357 -7.922 444 HD1 PHE 58 HD1 PHE 58 6.613 -6.560 -10.969 445 HD2 PHE 58 HD2 PHE 58 5.132 -9.878 -8.683 446 HE1 PHE 58 HE1 PHE 58 8.103 -8.093 -12.231 447 HE2 PHE 58 HE2 PHE 58 6.620 -11.413 -9.943 448 HZ PHE 58 HZ PHE 58 8.105 -10.521 -11.716 449 H MET 59 HN MET 59 2.235 -7.764 -7.103 450 HA MET 59 HA MET 59 2.488 -10.706 -7.219 451 1HB MET 59 HB2 MET 59 2.083 -8.734 -5.080 452 2HB MET 59 HB1 MET 59 1.397 -10.333 -4.824 453 1HG MET 59 HG2 MET 59 3.719 -11.194 -5.618 454 2HG MET 59 HG1 MET 59 4.273 -9.563 -5.246 455 1HE MET 59 HE1 MET 59 4.790 -12.473 -4.418 456 2HE MET 59 HE2 MET 59 3.480 -13.127 -3.440 457 3HE MET 59 HE3 MET 59 4.974 -12.609 -2.664 458 H GLU 60 HN GLU 60 0.269 -8.677 -8.409 459 HA GLU 60 HA GLU 60 -1.867 -9.219 -9.266 460 1HB GLU 60 HB2 GLU 60 -1.984 -11.584 -7.396 461 2HB GLU 60 HB1 GLU 60 -2.852 -11.340 -8.910 462 1HG GLU 60 HG2 GLU 60 0.076 -11.207 -9.190 463 2HG GLU 60 HG1 GLU 60 -0.523 -12.780 -8.665 464 H HIS 61 HN HIS 61 -1.293 -7.615 -6.832 465 HA HIS 61 HA HIS 61 -3.736 -8.014 -5.219 466 1HB HIS 61 HB2 HIS 61 -1.503 -5.983 -4.900 467 2HB HIS 61 HB1 HIS 61 -2.752 -6.371 -3.724 468 HD1 HIS 61 HD1 HIS 61 -2.187 -9.517 -4.976 469 HD2 HIS 61 HD2 HIS 61 0.185 -7.034 -2.616 470 HE1 HIS 61 HE1 HIS 61 -0.502 -11.013 -3.839 471 H GLU 62 HN GLU 62 -4.843 -5.730 -4.690 472 HA GLU 62 HA GLU 62 -5.033 -4.280 -7.301 473 1HB GLU 62 HB2 GLU 62 -7.108 -5.315 -5.444 474 2HB GLU 62 HB1 GLU 62 -7.438 -3.793 -6.255 475 1HG GLU 62 HG2 GLU 62 -7.713 -4.800 -8.274 476 2HG GLU 62 HG1 GLU 62 -6.328 -5.864 -8.027 477 H LEU 63 HN LEU 63 -5.221 -2.074 -7.222 478 HA LEU 63 HA LEU 63 -4.455 -0.765 -4.677 479 1HB LEU 63 HB2 LEU 63 -3.215 0.161 -6.460 480 2HB LEU 63 HB1 LEU 63 -4.573 0.066 -7.577 481 HG LEU 63 HG LEU 63 -5.712 1.831 -6.082 482 1HD1 LEU 63 HD11 LEU 63 -4.578 2.780 -4.362 483 2HD1 LEU 63 HD12 LEU 63 -3.065 2.820 -5.267 484 3HD1 LEU 63 HD13 LEU 63 -3.557 1.344 -4.436 485 1HD2 LEU 63 HD21 LEU 63 -3.331 3.165 -7.171 486 2HD2 LEU 63 HD22 LEU 63 -5.026 3.348 -7.621 487 3HD2 LEU 63 HD23 LEU 63 -4.074 2.024 -8.291 488 H VAL 64 HN VAL 64 -6.346 -0.692 -3.396 489 HA VAL 64 HA VAL 64 -8.911 -0.365 -4.610 490 HB VAL 64 HB VAL 64 -7.913 -0.247 -1.761 491 1HG1 VAL 64 HG11 VAL 64 -10.676 -0.144 -2.953 492 2HG1 VAL 64 HG12 VAL 64 -9.958 0.974 -1.794 493 3HG1 VAL 64 HG13 VAL 64 -10.381 -0.667 -1.297 494 1HG2 VAL 64 HG21 VAL 64 -8.200 -2.353 -3.536 495 2HG2 VAL 64 HG22 VAL 64 -9.716 -2.382 -2.635 496 3HG2 VAL 64 HG23 VAL 64 -8.178 -2.489 -1.779 497 H ALA 65 HN ALA 65 -6.900 1.940 -2.628 498 HA ALA 65 HA ALA 65 -8.212 4.098 -4.220 499 1HB ALA 65 HB1 ALA 65 -8.224 5.198 -1.681 500 2HB ALA 65 HB2 ALA 65 -8.749 3.539 -1.396 501 3HB ALA 65 HB3 ALA 65 -9.635 4.561 -2.527 502 H LYS 66 HN LYS 66 -6.651 5.669 -4.769 503 HA LYS 66 HA LYS 66 -4.083 5.448 -3.335 504 1HB LYS 66 HB2 LYS 66 -4.490 7.214 -5.687 505 2HB LYS 66 HB1 LYS 66 -3.070 6.275 -5.229 506 1HG LYS 66 HG2 LYS 66 -3.841 4.943 -6.877 507 2HG LYS 66 HG1 LYS 66 -4.802 4.276 -5.587 508 1HD LYS 66 HD2 LYS 66 -6.608 4.751 -6.860 509 2HD LYS 66 HD1 LYS 66 -6.298 6.444 -6.475 510 1HE LYS 66 HE2 LYS 66 -5.037 6.772 -8.474 511 2HE LYS 66 HE1 LYS 66 -4.944 5.038 -8.782 512 1HZ LYS 66 HZ1 LYS 66 -6.614 6.119 -10.169 513 2HZ LYS 66 HZ2 LYS 66 -7.438 6.650 -8.781 514 3HZ LYS 66 HZ3 LYS 66 -7.324 4.989 -9.121 515 H GLU 67 HN GLU 67 -2.942 7.401 -2.830 516 HA GLU 67 HA GLU 67 -4.637 9.782 -2.347 517 1HB GLU 67 HB2 GLU 67 -3.243 8.102 -0.380 518 2HB GLU 67 HB1 GLU 67 -3.192 9.820 -0.117 519 1HG GLU 67 HG2 GLU 67 -5.741 8.276 -0.618 520 2HG GLU 67 HG1 GLU 67 -5.143 8.673 0.994 521 H THR 68 HN THR 68 -3.610 11.330 -3.510 522 HA THR 68 HA THR 68 -0.665 11.678 -3.121 523 HB THR 68 HB THR 68 -0.406 12.158 -5.525 524 HG1 THR 68 HG1 THR 68 -2.950 11.121 -6.021 525 1HG2 THR 68 HG21 THR 68 -1.270 9.744 -6.308 526 2HG2 THR 68 HG22 THR 68 -1.435 9.532 -4.565 527 3HG2 THR 68 HG23 THR 68 0.134 9.939 -5.259 528 H ASP 69 HN ASP 69 -3.062 12.977 -1.999 529 HA ASP 69 HA ASP 69 -3.338 15.543 -3.369 530 1HB ASP 69 HB2 ASP 69 -4.173 14.792 -0.564 531 2HB ASP 69 HB1 ASP 69 -4.771 16.161 -1.503 532 H GLY 70 HN GLY 70 -0.831 14.341 -1.792 533 1HA GLY 70 HA2 GLY 70 0.999 16.086 -1.561 534 2HA GLY 70 HA1 GLY 70 -0.097 16.843 -0.435 535 H LEU 71 HN LEU 71 2.496 15.166 -0.481 536 HA LEU 71 HA LEU 71 2.537 12.880 0.927 537 1HB LEU 71 HB2 LEU 71 4.188 15.310 1.638 538 2HB LEU 71 HB1 LEU 71 4.539 13.673 2.151 539 HG LEU 71 HG LEU 71 4.120 14.097 -0.734 540 1HD1 LEU 71 HD11 LEU 71 6.893 14.449 -0.219 541 2HD1 LEU 71 HD12 LEU 71 6.027 15.625 0.768 542 3HD1 LEU 71 HD13 LEU 71 5.788 15.595 -0.979 543 1HD2 LEU 71 HD21 LEU 71 6.062 12.442 -0.726 544 2HD2 LEU 71 HD22 LEU 71 4.563 11.867 0.005 545 3HD2 LEU 71 HD23 LEU 71 5.894 12.406 1.029 546 HA PRO 72 HA PRO 72 3.400 11.854 2.367 547 1HB PRO 72 HB2 PRO 72 2.409 9.849 3.928 548 2HB PRO 72 HB1 PRO 72 3.641 10.987 4.507 549 1HG PRO 72 HG2 PRO 72 0.732 10.884 5.119 550 2HG PRO 72 HG1 PRO 72 2.060 11.467 6.141 551 1HD PRO 72 HD2 PRO 72 0.274 13.098 4.680 552 2HD PRO 72 HD1 PRO 72 1.835 13.626 5.350 553 H TYR 73 HN TYR 73 2.835 10.217 0.892 554 HA TYR 73 HA TYR 73 0.230 10.303 -0.310 555 1HB TYR 73 HB2 TYR 73 2.138 8.067 -0.723 556 2HB TYR 73 HB1 TYR 73 1.028 8.785 -1.882 557 HD1 TYR 73 HD1 TYR 73 4.287 8.740 -0.538 558 HD2 TYR 73 HD2 TYR 73 1.501 11.204 -2.635 559 HE1 TYR 73 HE1 TYR 73 6.174 10.092 -1.394 560 HE2 TYR 73 HE2 TYR 73 3.349 12.616 -3.470 561 HH TYR 73 HH TYR 73 5.657 12.624 -3.792 562 H ARG 74 HN ARG 74 -1.144 8.304 -0.615 563 HA ARG 74 HA ARG 74 -0.703 6.199 1.346 564 1HB ARG 74 HB2 ARG 74 -2.969 8.143 1.467 565 2HB ARG 74 HB1 ARG 74 -3.253 6.452 1.889 566 1HG ARG 74 HG2 ARG 74 -1.930 6.518 3.717 567 2HG ARG 74 HG1 ARG 74 -0.851 7.710 3.039 568 1HD ARG 74 HD2 ARG 74 -2.041 9.450 3.892 569 2HD ARG 74 HD1 ARG 74 -3.582 8.705 3.472 570 HE ARG 74 HE ARG 74 -2.598 7.212 5.627 571 1HH1 ARG 74 HH11 ARG 74 -2.355 10.559 5.362 572 2HH1 ARG 74 HH12 ARG 74 -3.278 10.912 6.783 573 1HH2 ARG 74 HH21 ARG 74 -4.259 7.626 7.287 574 2HH2 ARG 74 HH22 ARG 74 -4.354 9.253 7.874 575 H TYR 75 HN TYR 75 -1.904 4.318 0.803 576 HA TYR 75 HA TYR 75 -3.451 4.400 -1.666 577 1HB TYR 75 HB2 TYR 75 -1.257 2.425 -1.686 578 2HB TYR 75 HB1 TYR 75 -2.049 3.242 -3.035 579 HD1 TYR 75 HD1 TYR 75 -1.529 5.788 -3.332 580 HD2 TYR 75 HD2 TYR 75 0.709 3.148 -0.867 581 HE1 TYR 75 HE1 TYR 75 0.407 7.334 -3.476 582 HE2 TYR 75 HE2 TYR 75 2.673 4.681 -0.972 583 HH TYR 75 HH TYR 75 3.367 6.720 -1.613 584 H LEU 76 HN LEU 76 -5.124 2.975 -1.289 585 HA LEU 76 HA LEU 76 -4.719 1.018 0.779 586 1HB LEU 76 HB2 LEU 76 -6.892 2.135 0.715 587 2HB LEU 76 HB1 LEU 76 -7.162 1.550 -0.909 588 HG LEU 76 HG LEU 76 -6.735 -0.786 0.084 589 1HD1 LEU 76 HD11 LEU 76 -6.070 0.587 2.311 590 2HD1 LEU 76 HD12 LEU 76 -6.682 -1.066 2.343 591 3HD1 LEU 76 HD13 LEU 76 -7.776 0.286 2.637 592 1HD2 LEU 76 HD21 LEU 76 -8.921 -0.918 -0.223 593 2HD2 LEU 76 HD22 LEU 76 -8.993 0.845 -0.226 594 3HD2 LEU 76 HD23 LEU 76 -9.218 -0.044 1.279 595 H ILE 77 HN ILE 77 -4.884 -1.335 0.190 596 HA ILE 77 HA ILE 77 -5.034 -1.825 -2.706 597 HB ILE 77 HB ILE 77 -2.800 -2.895 -0.979 598 1HG1 ILE 77 HG12 ILE 77 -3.024 -0.448 -2.722 599 2HG1 ILE 77 HG11 ILE 77 -2.395 -0.572 -1.084 600 1HG2 ILE 77 HG21 ILE 77 -2.807 -2.708 -3.981 601 2HG2 ILE 77 HG22 ILE 77 -3.674 -4.029 -3.198 602 3HG2 ILE 77 HG23 ILE 77 -1.941 -3.839 -2.943 603 1HD1 ILE 77 HD11 ILE 77 -0.657 -0.293 -2.935 604 2HD1 ILE 77 HD12 ILE 77 -1.054 -1.938 -3.425 605 3HD1 ILE 77 HD13 ILE 77 -0.394 -1.630 -1.818 606 H ARG 78 HN ARG 78 -6.740 -3.214 -2.775 607 HA ARG 78 HA ARG 78 -7.341 -5.028 -0.587 608 1HB ARG 78 HB2 ARG 78 -9.200 -4.334 -1.893 609 2HB ARG 78 HB1 ARG 78 -8.380 -4.715 -3.405 610 1HG ARG 78 HG2 ARG 78 -8.400 -7.145 -2.700 611 2HG ARG 78 HG1 ARG 78 -9.435 -6.676 -1.351 612 1HD ARG 78 HD2 ARG 78 -10.937 -5.571 -3.142 613 2HD ARG 78 HD1 ARG 78 -10.028 -6.536 -4.305 614 HE ARG 78 HE ARG 78 -10.761 -8.509 -2.715 615 1HH1 ARG 78 HH11 ARG 78 -12.518 -6.041 -4.259 616 2HH1 ARG 78 HH12 ARG 78 -14.068 -6.591 -3.717 617 1HH2 ARG 78 HH21 ARG 78 -12.772 -9.068 -1.668 618 2HH2 ARG 78 HH22 ARG 78 -14.212 -8.302 -2.249 619 H LYS 79 HN LYS 79 -6.093 -6.795 -0.168 620 HA LYS 79 HA LYS 79 -4.224 -7.974 -1.987 621 1HB LYS 79 HB2 LYS 79 -3.956 -8.421 0.362 622 2HB LYS 79 HB1 LYS 79 -5.603 -9.036 0.497 623 1HG LYS 79 HG2 LYS 79 -4.724 -11.092 0.173 624 2HG LYS 79 HG1 LYS 79 -4.471 -10.617 -1.503 625 1HD LYS 79 HD2 LYS 79 -2.235 -9.807 -0.988 626 2HD LYS 79 HD1 LYS 79 -2.480 -10.135 0.727 627 1HE LYS 79 HE2 LYS 79 -1.566 -12.163 0.305 628 2HE LYS 79 HE1 LYS 79 -3.110 -12.557 -0.449 629 1HZ LYS 79 HZ1 LYS 79 -0.571 -11.794 -1.695 630 2HZ LYS 79 HZ2 LYS 79 -2.014 -11.346 -2.472 631 3HZ LYS 79 HZ3 LYS 79 -1.687 -12.984 -2.158 632 H GLY 80 HN GLY 80 -5.012 -8.701 -3.939 633 1HA GLY 80 HA2 GLY 80 -6.410 -11.086 -4.253 634 2HA GLY 80 HA1 GLY 80 -7.661 -9.844 -4.225 635 H GLY 81 HN GLY 81 -7.310 -11.313 -6.520 636 1HA GLY 81 HA2 GLY 81 -6.206 -9.249 -8.372 637 2HA GLY 81 HA1 GLY 81 -5.815 -10.952 -8.618 Start of MODEL 9 1 1H MET 1 HT1 MET 1 -18.353 11.463 -3.568 2 2H MET 1 HT2 MET 1 -18.657 9.818 -3.274 3 3H MET 1 HT3 MET 1 -17.063 10.405 -3.268 4 HA MET 1 HA MET 1 -17.343 11.543 -1.264 5 1HB MET 1 HB2 MET 1 -20.028 11.751 -2.211 6 2HB MET 1 HB1 MET 1 -20.078 11.009 -0.610 7 1HG MET 1 HG2 MET 1 -18.943 12.834 0.393 8 2HG MET 1 HG1 MET 1 -18.409 13.463 -1.165 9 1HE MET 1 HE1 MET 1 -21.228 12.124 0.665 10 2HE MET 1 HE2 MET 1 -22.687 12.938 0.103 11 3HE MET 1 HE3 MET 1 -21.731 13.652 1.400 12 H THR 2 HN THR 2 -17.156 8.667 -2.274 13 HA THR 2 HA THR 2 -18.230 7.195 0.066 14 HB THR 2 HB THR 2 -17.226 5.204 -1.235 15 HG1 THR 2 HG1 THR 2 -17.060 5.811 -3.525 16 1HG2 THR 2 HG21 THR 2 -19.614 6.792 -1.679 17 2HG2 THR 2 HG22 THR 2 -19.428 5.039 -1.673 18 3HG2 THR 2 HG23 THR 2 -19.126 5.952 -3.151 19 H ASP 3 HN ASP 3 -16.740 5.740 1.261 20 HA ASP 3 HA ASP 3 -14.017 6.956 1.451 21 1HB ASP 3 HB2 ASP 3 -15.694 6.941 3.454 22 2HB ASP 3 HB1 ASP 3 -15.262 5.236 3.587 23 H LEU 4 HN LEU 4 -12.861 5.653 0.010 24 HA LEU 4 HA LEU 4 -13.177 2.741 0.038 25 1HB LEU 4 HB2 LEU 4 -10.973 4.356 -1.273 26 2HB LEU 4 HB1 LEU 4 -11.511 2.730 -1.699 27 HG LEU 4 HG LEU 4 -13.543 4.920 -1.738 28 1HD1 LEU 4 HD11 LEU 4 -11.289 5.593 -2.938 29 2HD1 LEU 4 HD12 LEU 4 -12.835 5.867 -3.741 30 3HD1 LEU 4 HD13 LEU 4 -11.852 4.468 -4.174 31 1HD2 LEU 4 HD21 LEU 4 -13.805 3.387 -3.998 32 2HD2 LEU 4 HD22 LEU 4 -14.601 3.036 -2.464 33 3HD2 LEU 4 HD23 LEU 4 -13.085 2.233 -2.876 34 H PHE 5 HN PHE 5 -11.138 5.117 1.565 35 HA PHE 5 HA PHE 5 -9.160 3.120 2.437 36 1HB PHE 5 HB2 PHE 5 -9.471 6.082 2.656 37 2HB PHE 5 HB1 PHE 5 -8.497 5.268 3.880 38 HD1 PHE 5 HD1 PHE 5 -6.545 6.580 2.925 39 HD2 PHE 5 HD2 PHE 5 -8.667 3.623 0.658 40 HE1 PHE 5 HE1 PHE 5 -4.674 6.416 1.319 41 HE2 PHE 5 HE2 PHE 5 -6.756 3.482 -0.913 42 HZ PHE 5 HZ PHE 5 -4.764 4.930 -0.607 43 H SER 6 HN SER 6 -12.170 3.285 3.267 44 HA SER 6 HA SER 6 -12.528 3.919 5.946 45 1HB SER 6 HB2 SER 6 -13.527 1.409 4.564 46 2HB SER 6 HB1 SER 6 -14.200 2.110 6.033 47 HG SER 6 HG SER 6 -15.324 2.749 4.122 48 H SER 7 HN SER 7 -12.711 2.138 7.778 49 HA SER 7 HA SER 7 -10.183 1.388 8.628 50 1HB SER 7 HB2 SER 7 -12.841 0.849 9.428 51 2HB SER 7 HB1 SER 7 -11.951 -0.665 9.457 52 HG SER 7 HG SER 7 -11.314 1.776 10.746 53 HA PRO 8 HA PRO 8 -9.478 -1.709 5.415 54 1HB PRO 8 HB2 PRO 8 -6.745 -1.616 5.648 55 2HB PRO 8 HB1 PRO 8 -7.685 -0.471 4.679 56 1HG PRO 8 HG2 PRO 8 -6.388 -0.055 7.335 57 2HG PRO 8 HG1 PRO 8 -6.739 1.122 6.060 58 1HD PRO 8 HD2 PRO 8 -8.239 0.767 8.419 59 2HD PRO 8 HD1 PRO 8 -8.768 1.658 6.978 60 H ASP 9 HN ASP 9 -8.175 -3.823 5.514 61 HA ASP 9 HA ASP 9 -8.623 -5.076 8.120 62 1HB ASP 9 HB2 ASP 9 -7.442 -6.164 5.542 63 2HB ASP 9 HB1 ASP 9 -7.822 -7.136 6.965 64 H HIS 10 HN HIS 10 -5.972 -3.665 6.391 65 HA HIS 10 HA HIS 10 -4.187 -4.252 8.686 66 1HB HIS 10 HB2 HIS 10 -3.754 -5.095 5.830 67 2HB HIS 10 HB1 HIS 10 -2.378 -4.734 6.866 68 HD1 HIS 10 HD1 HIS 10 -1.559 -6.680 8.204 69 HD2 HIS 10 HD2 HIS 10 -5.589 -7.074 7.211 70 HE1 HIS 10 HE1 HIS 10 -2.300 -8.929 9.103 71 H THR 11 HN THR 11 -2.011 -2.960 8.260 72 HA THR 11 HA THR 11 -2.484 -0.530 6.630 73 HB THR 11 HB THR 11 -1.685 -0.429 9.538 74 HG1 THR 11 HG1 THR 11 -3.857 0.727 9.495 75 1HG2 THR 11 HG21 THR 11 -2.145 2.032 9.197 76 2HG2 THR 11 HG22 THR 11 -2.298 1.700 7.471 77 3HG2 THR 11 HG23 THR 11 -0.761 1.423 8.290 78 H LEU 12 HN LEU 12 -0.465 0.709 6.352 79 HA LEU 12 HA LEU 12 2.033 -0.698 7.129 80 1HB LEU 12 HB2 LEU 12 1.700 -1.654 4.960 81 2HB LEU 12 HB1 LEU 12 1.183 -0.109 4.293 82 HG LEU 12 HG LEU 12 3.405 0.794 4.313 83 1HD1 LEU 12 HD11 LEU 12 4.187 0.316 6.494 84 2HD1 LEU 12 HD12 LEU 12 5.252 -0.628 5.462 85 3HD1 LEU 12 HD13 LEU 12 3.925 -1.417 6.314 86 1HD2 LEU 12 HD21 LEU 12 3.367 -2.144 3.616 87 2HD2 LEU 12 HD22 LEU 12 4.831 -1.180 3.421 88 3HD2 LEU 12 HD23 LEU 12 3.370 -0.749 2.535 89 H ASP 13 HN ASP 13 3.011 0.986 8.210 90 HA ASP 13 HA ASP 13 2.687 3.748 7.285 91 1HB ASP 13 HB2 ASP 13 3.115 3.017 9.718 92 2HB ASP 13 HB1 ASP 13 4.782 2.719 9.223 93 H ALA 14 HN ALA 14 4.207 4.866 5.961 94 HA ALA 14 HA ALA 14 6.728 3.449 5.367 95 1HB ALA 14 HB1 ALA 14 5.460 4.417 2.919 96 2HB ALA 14 HB2 ALA 14 4.604 3.079 3.687 97 3HB ALA 14 HB3 ALA 14 6.299 2.900 3.238 98 H LEU 15 HN LEU 15 5.549 5.865 6.606 99 HA LEU 15 HA LEU 15 6.682 8.137 5.205 100 1HB LEU 15 HB2 LEU 15 5.903 8.061 8.106 101 2HB LEU 15 HB1 LEU 15 5.856 9.386 6.963 102 HG LEU 15 HG LEU 15 4.114 6.956 6.661 103 1HD1 LEU 15 HD11 LEU 15 2.706 7.760 8.219 104 2HD1 LEU 15 HD12 LEU 15 2.692 9.339 7.431 105 3HD1 LEU 15 HD13 LEU 15 3.919 8.969 8.643 106 1HD2 LEU 15 HD21 LEU 15 3.844 7.936 4.641 107 2HD2 LEU 15 HD22 LEU 15 4.653 9.413 5.167 108 3HD2 LEU 15 HD23 LEU 15 2.939 9.177 5.505 109 H GLY 16 HN GLY 16 8.817 8.031 5.082 110 1HA GLY 16 HA2 GLY 16 11.000 8.388 6.115 111 2HA GLY 16 HA1 GLY 16 10.386 7.596 7.575 112 H LEU 17 HN LEU 17 9.069 5.778 5.285 113 HA LEU 17 HA LEU 17 11.175 3.725 5.384 114 1HB LEU 17 HB2 LEU 17 8.325 3.717 4.343 115 2HB LEU 17 HB1 LEU 17 9.410 2.337 4.237 116 HG LEU 17 HG LEU 17 8.041 3.500 6.612 117 1HD1 LEU 17 HD11 LEU 17 8.018 1.021 7.144 118 2HD1 LEU 17 HD12 LEU 17 8.837 0.754 5.606 119 3HD1 LEU 17 HD13 LEU 17 7.216 1.446 5.632 120 1HD2 LEU 17 HD21 LEU 17 10.333 3.766 7.292 121 2HD2 LEU 17 HD22 LEU 17 10.757 2.178 6.654 122 3HD2 LEU 17 HD23 LEU 17 9.710 2.310 8.067 123 H ARG 18 HN ARG 18 12.076 2.915 3.436 124 HA ARG 18 HA ARG 18 11.217 4.351 0.994 125 1HB ARG 18 HB2 ARG 18 13.708 4.720 0.463 126 2HB ARG 18 HB1 ARG 18 12.910 5.780 1.628 127 1HG ARG 18 HG2 ARG 18 13.772 4.329 3.476 128 2HG ARG 18 HG1 ARG 18 14.672 3.401 2.275 129 1HD ARG 18 HD2 ARG 18 15.793 5.546 1.570 130 2HD ARG 18 HD1 ARG 18 15.014 6.337 2.942 131 HE ARG 18 HE ARG 18 17.379 4.761 3.110 132 1HH1 ARG 18 HH11 ARG 18 16.033 6.592 5.210 133 2HH1 ARG 18 HH12 ARG 18 15.809 5.464 6.505 134 1HH2 ARG 18 HH21 ARG 18 16.348 2.674 4.521 135 2HH2 ARG 18 HH22 ARG 18 15.986 3.247 6.114 136 H CYS 19 HN CYS 19 11.684 3.234 -0.897 137 HA CYS 19 HA CYS 19 11.538 0.451 -0.831 138 1HB CYS 19 HB2 CYS 19 11.155 1.537 -2.900 139 2HB CYS 19 HB1 CYS 19 12.756 2.270 -2.911 140 HG CYS 19 HG CYS 19 13.292 -0.607 -2.887 141 HA PRO 20 HA PRO 20 11.966 -1.305 -1.525 142 1HB PRO 20 HB2 PRO 20 12.827 -3.730 -0.610 143 2HB PRO 20 HB1 PRO 20 13.372 -3.038 -2.148 144 1HG PRO 20 HG2 PRO 20 14.859 -3.310 0.413 145 2HG PRO 20 HG1 PRO 20 15.488 -3.169 -1.233 146 1HD PRO 20 HD2 PRO 20 15.334 -1.101 0.733 147 2HD PRO 20 HD1 PRO 20 15.819 -0.926 -0.968 148 H GLU 21 HN GLU 21 13.025 -0.435 1.499 149 HA GLU 21 HA GLU 21 11.949 -2.196 3.347 150 1HB GLU 21 HB2 GLU 21 12.258 0.750 3.421 151 2HB GLU 21 HB1 GLU 21 11.565 -0.098 4.794 152 1HG GLU 21 HG2 GLU 21 13.576 -1.550 4.883 153 2HG GLU 21 HG1 GLU 21 14.276 -0.639 3.543 154 HA PRO 22 HA PRO 22 7.711 -0.056 3.334 155 1HB PRO 22 HB2 PRO 22 7.105 1.312 1.026 156 2HB PRO 22 HB1 PRO 22 7.766 2.072 2.469 157 1HG PRO 22 HG2 PRO 22 9.132 1.405 -0.093 158 2HG PRO 22 HG1 PRO 22 9.484 2.704 1.061 159 1HD PRO 22 HD2 PRO 22 10.924 0.328 0.846 160 2HD PRO 22 HD1 PRO 22 10.942 1.383 2.266 161 H VAL 23 HN VAL 23 8.538 -0.493 -0.076 162 HA VAL 23 HA VAL 23 6.415 -2.134 -0.881 163 HB VAL 23 HB VAL 23 9.350 -2.439 -1.580 164 1HG1 VAL 23 HG11 VAL 23 8.060 -3.160 -3.816 165 2HG1 VAL 23 HG12 VAL 23 6.824 -3.619 -2.645 166 3HG1 VAL 23 HG13 VAL 23 8.438 -4.323 -2.546 167 1HG2 VAL 23 HG21 VAL 23 7.374 -0.387 -2.185 168 2HG2 VAL 23 HG22 VAL 23 7.983 -1.143 -3.657 169 3HG2 VAL 23 HG23 VAL 23 9.105 -0.398 -2.519 170 H MET 24 HN MET 24 9.129 -2.815 1.236 171 HA MET 24 HA MET 24 8.848 -5.717 1.132 172 1HB MET 24 HB2 MET 24 10.376 -3.750 2.774 173 2HB MET 24 HB1 MET 24 10.134 -5.361 3.447 174 1HG MET 24 HG2 MET 24 10.978 -6.287 1.232 175 2HG MET 24 HG1 MET 24 11.463 -4.644 0.823 176 1HE MET 24 HE1 MET 24 11.884 -7.751 2.435 177 2HE MET 24 HE2 MET 24 11.910 -7.185 4.103 178 3HE MET 24 HE3 MET 24 13.401 -7.738 3.345 179 H MET 25 HN MET 25 7.744 -3.170 3.356 180 HA MET 25 HA MET 25 6.577 -4.871 5.304 181 1HB MET 25 HB2 MET 25 6.136 -2.040 4.434 182 2HB MET 25 HB1 MET 25 4.950 -2.783 5.508 183 1HG MET 25 HG2 MET 25 7.860 -3.072 6.163 184 2HG MET 25 HG1 MET 25 7.062 -1.537 6.508 185 1HE MET 25 HE1 MET 25 8.124 -2.602 9.046 186 2HE MET 25 HE2 MET 25 8.420 -4.090 8.149 187 3HE MET 25 HE3 MET 25 7.510 -4.145 9.656 188 H VAL 26 HN VAL 26 5.202 -3.483 2.319 189 HA VAL 26 HA VAL 26 2.583 -4.611 2.690 190 HB VAL 26 HB VAL 26 4.086 -3.915 0.152 191 1HG1 VAL 26 HG11 VAL 26 2.329 -4.677 -1.063 192 2HG1 VAL 26 HG12 VAL 26 1.169 -3.899 0.013 193 3HG1 VAL 26 HG13 VAL 26 1.788 -5.503 0.396 194 1HG2 VAL 26 HG21 VAL 26 3.680 -1.857 1.077 195 2HG2 VAL 26 HG22 VAL 26 2.370 -2.462 2.090 196 3HG2 VAL 26 HG23 VAL 26 2.080 -2.121 0.386 197 H ARG 27 HN ARG 27 5.610 -5.911 1.505 198 HA ARG 27 HA ARG 27 4.539 -8.250 0.224 199 1HB ARG 27 HB2 ARG 27 7.216 -7.606 1.444 200 2HB ARG 27 HB1 ARG 27 6.859 -9.223 0.821 201 1HG ARG 27 HG2 ARG 27 6.280 -6.811 -0.872 202 2HG ARG 27 HG1 ARG 27 7.925 -7.438 -0.778 203 1HD ARG 27 HD2 ARG 27 5.514 -9.136 -1.465 204 2HD ARG 27 HD1 ARG 27 6.578 -8.406 -2.668 205 HE ARG 27 HE ARG 27 7.186 -10.752 -1.070 206 1HH1 ARG 27 HH11 ARG 27 8.133 -9.663 -3.881 207 2HH1 ARG 27 HH12 ARG 27 9.839 -9.601 -3.592 208 1HH2 ARG 27 HH21 ARG 27 9.538 -9.946 -0.155 209 2HH2 ARG 27 HH22 ARG 27 10.634 -9.761 -1.482 210 H LYS 28 HN LYS 28 5.952 -7.848 3.448 211 HA LYS 28 HA LYS 28 5.366 -10.469 4.403 212 1HB LYS 28 HB2 LYS 28 5.318 -8.045 6.199 213 2HB LYS 28 HB1 LYS 28 5.919 -9.665 6.553 214 1HG LYS 28 HG2 LYS 28 7.609 -9.159 4.602 215 2HG LYS 28 HG1 LYS 28 7.213 -7.477 4.953 216 1HD LYS 28 HD2 LYS 28 8.237 -7.518 7.006 217 2HD LYS 28 HD1 LYS 28 7.820 -9.208 7.294 218 1HE LYS 28 HE2 LYS 28 9.775 -8.544 5.119 219 2HE LYS 28 HE1 LYS 28 10.323 -8.532 6.795 220 1HZ LYS 28 HZ1 LYS 28 9.963 -10.757 7.031 221 2HZ LYS 28 HZ2 LYS 28 10.380 -10.712 5.384 222 3HZ LYS 28 HZ3 LYS 28 8.748 -10.816 5.849 223 H THR 29 HN THR 29 3.583 -7.443 4.582 224 HA THR 29 HA THR 29 1.286 -8.363 6.000 225 HB THR 29 HB THR 29 2.052 -6.138 4.207 226 HG1 THR 29 HG1 THR 29 1.509 -4.955 5.973 227 1HG2 THR 29 HG21 THR 29 -0.850 -6.573 4.928 228 2HG2 THR 29 HG22 THR 29 -0.171 -6.815 3.317 229 3HG2 THR 29 HG23 THR 29 -0.175 -5.207 4.039 230 H VAL 30 HN VAL 30 2.282 -8.381 2.661 231 HA VAL 30 HA VAL 30 -0.194 -9.328 1.521 232 HB VAL 30 HB VAL 30 2.695 -9.187 0.663 233 1HG1 VAL 30 HG11 VAL 30 1.763 -9.954 -1.615 234 2HG1 VAL 30 HG12 VAL 30 0.440 -10.645 -0.675 235 3HG1 VAL 30 HG13 VAL 30 2.097 -11.184 -0.396 236 1HG2 VAL 30 HG21 VAL 30 0.872 -7.265 0.611 237 2HG2 VAL 30 HG22 VAL 30 0.354 -8.091 -0.859 238 3HG2 VAL 30 HG23 VAL 30 1.996 -7.462 -0.734 239 H ARG 31 HN ARG 31 2.570 -10.709 3.069 240 HA ARG 31 HA ARG 31 2.087 -13.464 2.280 241 1HB ARG 31 HB2 ARG 31 3.726 -12.236 4.517 242 2HB ARG 31 HB1 ARG 31 3.724 -13.955 4.123 243 1HG ARG 31 HG2 ARG 31 4.645 -13.534 1.933 244 2HG ARG 31 HG1 ARG 31 4.431 -11.797 2.114 245 1HD ARG 31 HD2 ARG 31 6.465 -11.642 3.051 246 2HD ARG 31 HD1 ARG 31 5.947 -12.722 4.347 247 HE ARG 31 HE ARG 31 6.680 -14.137 1.902 248 1HH1 ARG 31 HH21 ARG 31 7.044 -14.954 4.848 249 2HH1 ARG 31 HH22 ARG 31 8.772 -14.942 4.970 250 1HH2 ARG 31 HH11 ARG 31 9.229 -13.142 2.041 251 2HH2 ARG 31 HH12 ARG 31 10.009 -13.916 3.379 252 H ASN 32 HN ASN 32 1.112 -11.299 4.886 253 HA ASN 32 HA ASN 32 -0.310 -13.598 6.176 254 1HB ASN 32 HB2 ASN 32 -0.640 -12.004 8.091 255 2HB ASN 32 HB1 ASN 32 1.052 -12.355 7.743 256 1HD2 ASN 32 HD21 ASN 32 -1.466 -9.961 6.737 257 2HD2 ASN 32 HD22 ASN 32 -0.401 -8.641 6.713 258 H MET 33 HN MET 33 -0.910 -11.380 3.854 259 HA MET 33 HA MET 33 -3.602 -10.609 4.792 260 1HB MET 33 HB2 MET 33 -1.846 -9.851 2.498 261 2HB MET 33 HB1 MET 33 -3.590 -9.716 2.268 262 1HG MET 33 HG2 MET 33 -3.429 -8.562 4.673 263 2HG MET 33 HG1 MET 33 -1.803 -8.199 4.116 264 1HE MET 33 HE1 MET 33 -5.163 -8.773 2.688 265 2HE MET 33 HE2 MET 33 -5.604 -7.346 1.753 266 3HE MET 33 HE3 MET 33 -5.725 -7.312 3.510 267 H GLN 34 HN GLN 34 -5.394 -10.932 3.078 268 HA GLN 34 HA GLN 34 -5.133 -13.591 1.750 269 1HB GLN 34 HB2 GLN 34 -7.163 -12.699 3.782 270 2HB GLN 34 HB1 GLN 34 -7.636 -13.847 2.528 271 1HG GLN 34 HG2 GLN 34 -5.071 -14.421 3.907 272 2HG GLN 34 HG1 GLN 34 -6.531 -14.611 4.880 273 1HE2 GLN 34 HE21 GLN 34 -4.542 -16.530 3.254 274 2HE2 GLN 34 HE22 GLN 34 -5.628 -17.614 2.530 275 HA PRO 35 HA PRO 35 -7.016 -11.526 -1.597 276 1HB PRO 35 HB2 PRO 35 -8.403 -13.616 -2.753 277 2HB PRO 35 HB1 PRO 35 -6.657 -13.367 -2.910 278 1HG PRO 35 HG2 PRO 35 -8.133 -15.326 -1.191 279 2HG PRO 35 HG1 PRO 35 -6.531 -15.475 -1.937 280 1HD PRO 35 HD2 PRO 35 -6.973 -14.872 0.760 281 2HD PRO 35 HD1 PRO 35 -5.469 -14.523 -0.123 282 H GLY 36 HN GLY 36 -8.612 -10.146 -1.284 283 1HA GLY 36 HA2 GLY 36 -11.040 -9.693 -1.374 284 2HA GLY 36 HA1 GLY 36 -11.267 -11.117 -0.348 285 H GLU 37 HN GLU 37 -8.473 -9.264 0.370 286 HA GLU 37 HA GLU 37 -9.890 -8.059 2.719 287 1HB GLU 37 HB2 GLU 37 -7.249 -9.435 2.422 288 2HB GLU 37 HB1 GLU 37 -7.388 -8.141 3.605 289 1HG GLU 37 HG2 GLU 37 -9.304 -10.480 3.457 290 2HG GLU 37 HG1 GLU 37 -7.899 -10.436 4.523 291 H THR 38 HN THR 38 -8.188 -6.205 3.617 292 HA THR 38 HA THR 38 -7.242 -4.655 1.261 293 HB THR 38 HB THR 38 -8.308 -2.622 2.604 294 HG1 THR 38 HG1 THR 38 -9.667 -3.251 4.051 295 1HG2 THR 38 HG21 THR 38 -10.233 -2.771 1.107 296 2HG2 THR 38 HG22 THR 38 -9.941 -4.493 0.868 297 3HG2 THR 38 HG23 THR 38 -8.782 -3.312 0.261 298 H LEU 39 HN LEU 39 -5.688 -3.045 1.756 299 HA LEU 39 HA LEU 39 -4.583 -3.013 4.527 300 1HB LEU 39 HB2 LEU 39 -3.242 -4.694 3.451 301 2HB LEU 39 HB1 LEU 39 -3.090 -3.727 1.984 302 HG LEU 39 HG LEU 39 -2.039 -1.971 3.714 303 1HD1 LEU 39 HD11 LEU 39 -2.072 -3.021 5.757 304 2HD1 LEU 39 HD12 LEU 39 -0.517 -3.606 5.168 305 3HD1 LEU 39 HD13 LEU 39 -1.948 -4.631 5.051 306 1HD2 LEU 39 HD21 LEU 39 -0.813 -2.707 1.797 307 2HD2 LEU 39 HD22 LEU 39 -0.710 -4.356 2.412 308 3HD2 LEU 39 HD23 LEU 39 0.211 -3.068 3.187 309 H LEU 40 HN LEU 40 -4.525 -0.835 5.014 310 HA LEU 40 HA LEU 40 -4.341 1.140 2.834 311 1HB LEU 40 HB2 LEU 40 -5.899 1.755 4.535 312 2HB LEU 40 HB1 LEU 40 -4.767 1.350 5.825 313 HG LEU 40 HG LEU 40 -3.281 3.196 5.063 314 1HD1 LEU 40 HD11 LEU 40 -5.247 4.617 3.496 315 2HD1 LEU 40 HD12 LEU 40 -4.916 3.050 2.760 316 3HD1 LEU 40 HD13 LEU 40 -3.595 4.178 3.062 317 1HD2 LEU 40 HD21 LEU 40 -4.641 3.902 6.824 318 2HD2 LEU 40 HD22 LEU 40 -6.125 3.690 5.896 319 3HD2 LEU 40 HD23 LEU 40 -5.071 5.067 5.572 320 H ILE 41 HN ILE 41 -2.525 2.522 2.585 321 HA ILE 41 HA ILE 41 -0.190 1.903 4.333 322 HB ILE 41 HB ILE 41 0.057 2.135 1.336 323 1HG1 ILE 41 HG12 ILE 41 -0.753 -0.230 3.025 324 2HG1 ILE 41 HG11 ILE 41 -1.400 0.303 1.484 325 1HG2 ILE 41 HG21 ILE 41 1.864 1.917 3.511 326 2HG2 ILE 41 HG22 ILE 41 2.243 1.845 1.792 327 3HG2 ILE 41 HG23 ILE 41 1.900 0.364 2.680 328 1HD1 ILE 41 HD11 ILE 41 -0.086 -1.232 0.502 329 2HD1 ILE 41 HD12 ILE 41 0.786 -1.530 2.005 330 3HD1 ILE 41 HD13 ILE 41 1.288 -0.217 0.942 331 H ILE 42 HN ILE 42 1.244 3.641 4.624 332 HA ILE 42 HA ILE 42 0.508 6.168 3.243 333 HB ILE 42 HB ILE 42 1.818 5.995 5.958 334 1HG1 ILE 42 HG12 ILE 42 -1.063 5.745 5.179 335 2HG1 ILE 42 HG11 ILE 42 -0.196 4.989 6.516 336 1HG2 ILE 42 HG21 ILE 42 0.120 8.190 4.746 337 2HG2 ILE 42 HG22 ILE 42 1.855 8.092 4.467 338 3HG2 ILE 42 HG23 ILE 42 1.240 8.307 6.102 339 1HD1 ILE 42 HD11 ILE 42 -1.088 7.864 6.303 340 2HD1 ILE 42 HD12 ILE 42 -0.001 7.270 7.558 341 3HD1 ILE 42 HD13 ILE 42 -1.651 6.652 7.455 342 H ALA 43 HN ALA 43 2.418 7.532 2.873 343 HA ALA 43 HA ALA 43 5.041 6.355 3.290 344 1HB ALA 43 HB1 ALA 43 4.535 6.726 0.397 345 2HB ALA 43 HB2 ALA 43 3.736 5.333 1.128 346 3HB ALA 43 HB3 ALA 43 5.490 5.495 1.225 347 H ASP 44 HN ASP 44 6.401 8.037 3.482 348 HA ASP 44 HA ASP 44 5.573 10.586 2.200 349 1HB ASP 44 HB2 ASP 44 6.981 11.760 3.773 350 2HB ASP 44 HB1 ASP 44 5.945 10.681 4.696 351 H ASP 45 HN ASP 45 7.838 7.993 2.369 352 HA ASP 45 HA ASP 45 10.035 9.214 1.013 353 1HB ASP 45 HB2 ASP 45 10.461 7.127 1.904 354 2HB ASP 45 HB1 ASP 45 8.942 6.476 1.320 355 HA PRO 46 HA PRO 46 8.101 9.915 -2.896 356 1HB PRO 46 HB2 PRO 46 10.388 10.298 -4.370 357 2HB PRO 46 HB1 PRO 46 9.724 11.510 -3.261 358 1HG PRO 46 HG2 PRO 46 12.108 9.754 -2.916 359 2HG PRO 46 HG1 PRO 46 11.761 11.331 -2.187 360 1HD PRO 46 HD2 PRO 46 11.494 8.813 -0.916 361 2HD PRO 46 HD1 PRO 46 10.859 10.354 -0.319 362 H ALA 47 HN ALA 47 10.363 7.387 -2.342 363 HA ALA 47 HA ALA 47 9.941 6.151 -4.996 364 1HB ALA 47 HB1 ALA 47 11.575 5.325 -2.582 365 2HB ALA 47 HB2 ALA 47 12.178 5.971 -4.108 366 3HB ALA 47 HB3 ALA 47 11.460 4.361 -4.054 367 H THR 48 HN THR 48 8.202 6.248 -2.167 368 HA THR 48 HA THR 48 7.418 3.408 -2.162 369 HB THR 48 HB THR 48 5.640 4.439 -0.499 370 HG1 THR 48 HG1 THR 48 6.247 6.598 -1.173 371 1HG2 THR 48 HG21 THR 48 8.603 4.382 0.131 372 2HG2 THR 48 HG22 THR 48 7.531 2.982 0.114 373 3HG2 THR 48 HG23 THR 48 7.292 4.259 1.307 374 H THR 49 HN THR 49 5.981 6.540 -3.067 375 HA THR 49 HA THR 49 3.393 5.600 -3.752 376 HB THR 49 HB THR 49 3.071 7.628 -4.819 377 HG1 THR 49 HG1 THR 49 5.715 7.946 -5.635 378 1HG2 THR 49 HG21 THR 49 4.023 9.196 -3.479 379 2HG2 THR 49 HG22 THR 49 5.661 8.637 -3.822 380 3HG2 THR 49 HG23 THR 49 4.672 7.794 -2.629 381 H ARG 50 HN ARG 50 6.462 5.371 -5.411 382 HA ARG 50 HA ARG 50 5.116 4.238 -7.806 383 1HB ARG 50 HB2 ARG 50 7.936 5.095 -7.202 384 2HB ARG 50 HB1 ARG 50 7.535 4.194 -8.663 385 1HG ARG 50 HG2 ARG 50 5.616 6.081 -8.792 386 2HG ARG 50 HG1 ARG 50 6.849 6.993 -7.919 387 1HD ARG 50 HD2 ARG 50 8.316 6.976 -9.692 388 2HD ARG 50 HD1 ARG 50 7.743 5.419 -10.288 389 HE ARG 50 HE ARG 50 6.807 7.964 -11.194 390 1HH1 ARG 50 HH11 ARG 50 6.419 5.373 -12.658 391 2HH1 ARG 50 HH12 ARG 50 4.701 5.170 -12.582 392 1HH2 ARG 50 HH21 ARG 50 4.274 7.488 -10.037 393 2HH2 ARG 50 HH22 ARG 50 3.487 6.368 -11.098 394 H ASP 51 HN ASP 51 7.362 3.213 -5.272 395 HA ASP 51 HA ASP 51 7.631 0.566 -6.517 396 1HB ASP 51 HB2 ASP 51 8.741 1.740 -3.957 397 2HB ASP 51 HB1 ASP 51 9.109 0.112 -4.539 398 H ILE 52 HN ILE 52 6.232 1.789 -3.454 399 HA ILE 52 HA ILE 52 5.535 -0.733 -2.414 400 HB ILE 52 HB ILE 52 4.549 2.038 -2.012 401 1HG1 ILE 52 HG12 ILE 52 5.575 -0.226 -0.300 402 2HG1 ILE 52 HG11 ILE 52 6.387 1.290 -0.690 403 1HG2 ILE 52 HG21 ILE 52 2.417 0.819 -2.135 404 2HG2 ILE 52 HG22 ILE 52 2.767 1.251 -0.461 405 3HG2 ILE 52 HG23 ILE 52 3.034 -0.401 -1.020 406 1HD1 ILE 52 HD11 ILE 52 3.876 1.964 0.454 407 2HD1 ILE 52 HD12 ILE 52 5.480 2.220 1.142 408 3HD1 ILE 52 HD13 ILE 52 4.601 0.730 1.486 409 HA PRO 53 HA PRO 53 1.407 -0.553 -4.708 410 1HB PRO 53 HB2 PRO 53 1.223 1.259 -6.761 411 2HB PRO 53 HB1 PRO 53 0.646 1.551 -5.110 412 1HG PRO 53 HG2 PRO 53 3.069 2.616 -6.483 413 2HG PRO 53 HG1 PRO 53 2.142 3.319 -5.146 414 1HD PRO 53 HD2 PRO 53 4.604 1.974 -4.905 415 2HD PRO 53 HD1 PRO 53 3.491 2.336 -3.567 416 H GLY 54 HN GLY 54 4.011 0.579 -6.898 417 1HA GLY 54 HA2 GLY 54 3.424 -1.105 -9.067 418 2HA GLY 54 HA1 GLY 54 5.076 -0.637 -8.624 419 H PHE 55 HN PHE 55 4.621 -1.865 -5.886 420 HA PHE 55 HA PHE 55 5.513 -4.549 -6.617 421 1HB PHE 55 HB2 PHE 55 6.597 -3.913 -4.685 422 2HB PHE 55 HB1 PHE 55 5.235 -2.957 -4.106 423 HD1 PHE 55 HD1 PHE 55 5.358 -6.532 -5.216 424 HD2 PHE 55 HD2 PHE 55 4.730 -3.792 -1.978 425 HE1 PHE 55 HE1 PHE 55 4.604 -8.401 -3.787 426 HE2 PHE 55 HE2 PHE 55 3.978 -5.666 -0.557 427 HZ PHE 55 HZ PHE 55 3.904 -7.970 -1.456 428 H CYS 56 HN CYS 56 2.658 -3.243 -4.826 429 HA CYS 56 HA CYS 56 1.353 -5.720 -4.484 430 1HB CYS 56 HB2 CYS 56 0.378 -2.900 -4.808 431 2HB CYS 56 HB1 CYS 56 -0.786 -4.224 -4.728 432 HG CYS 56 HG CYS 56 0.899 -3.201 -2.386 433 H THR 57 HN THR 57 1.354 -3.562 -7.304 434 HA THR 57 HA THR 57 -0.582 -5.027 -8.822 435 HB THR 57 HB THR 57 1.800 -3.487 -9.889 436 HG1 THR 57 HG1 THR 57 -0.741 -2.680 -8.955 437 1HG2 THR 57 HG21 THR 57 0.319 -3.124 -11.829 438 2HG2 THR 57 HG22 THR 57 -0.927 -4.108 -11.060 439 3HG2 THR 57 HG23 THR 57 0.599 -4.843 -11.555 440 H PHE 58 HN PHE 58 2.870 -5.454 -8.322 441 HA PHE 58 HA PHE 58 3.266 -7.388 -10.418 442 1HB PHE 58 HB2 PHE 58 4.963 -5.977 -8.933 443 2HB PHE 58 HB1 PHE 58 4.945 -7.441 -7.949 444 HD1 PHE 58 HD1 PHE 58 6.530 -5.866 -10.648 445 HD2 PHE 58 HD2 PHE 58 5.063 -9.704 -9.399 446 HE1 PHE 58 HE1 PHE 58 8.051 -6.972 -12.264 447 HE2 PHE 58 HE2 PHE 58 6.584 -10.810 -11.016 448 HZ PHE 58 HZ PHE 58 8.078 -9.445 -12.447 449 H MET 59 HN MET 59 2.243 -7.683 -7.030 450 HA MET 59 HA MET 59 2.470 -10.613 -7.187 451 1HB MET 59 HB2 MET 59 1.850 -8.677 -5.038 452 2HB MET 59 HB1 MET 59 1.356 -10.349 -4.831 453 1HG MET 59 HG2 MET 59 4.168 -9.409 -5.462 454 2HG MET 59 HG1 MET 59 3.604 -9.960 -3.885 455 1HE MET 59 HE1 MET 59 5.558 -11.965 -3.801 456 2HE MET 59 HE2 MET 59 6.023 -10.907 -5.131 457 3HE MET 59 HE3 MET 59 6.041 -12.654 -5.358 458 H GLU 60 HN GLU 60 0.270 -8.605 -8.446 459 HA GLU 60 HA GLU 60 -1.847 -9.144 -9.351 460 1HB GLU 60 HB2 GLU 60 -0.943 -11.614 -8.696 461 2HB GLU 60 HB1 GLU 60 -2.317 -11.484 -7.599 462 1HG GLU 60 HG2 GLU 60 -3.211 -12.401 -9.607 463 2HG GLU 60 HG1 GLU 60 -3.670 -10.698 -9.631 464 H HIS 61 HN HIS 61 -1.319 -7.611 -6.835 465 HA HIS 61 HA HIS 61 -3.801 -8.079 -5.299 466 1HB HIS 61 HB2 HIS 61 -1.581 -6.054 -4.857 467 2HB HIS 61 HB1 HIS 61 -2.860 -6.479 -3.726 468 HD1 HIS 61 HD1 HIS 61 -2.253 -9.580 -5.081 469 HD2 HIS 61 HD2 HIS 61 0.041 -7.188 -2.557 470 HE1 HIS 61 HE1 HIS 61 -0.600 -11.116 -3.954 471 H GLU 62 HN GLU 62 -4.928 -5.821 -4.712 472 HA GLU 62 HA GLU 62 -5.107 -4.311 -7.289 473 1HB GLU 62 HB2 GLU 62 -7.173 -5.346 -5.433 474 2HB GLU 62 HB1 GLU 62 -7.493 -3.808 -6.212 475 1HG GLU 62 HG2 GLU 62 -7.520 -4.744 -8.346 476 2HG GLU 62 HG1 GLU 62 -6.504 -6.105 -7.872 477 H LEU 63 HN LEU 63 -5.053 -2.155 -7.200 478 HA LEU 63 HA LEU 63 -4.367 -0.841 -4.648 479 1HB LEU 63 HB2 LEU 63 -3.099 0.080 -6.411 480 2HB LEU 63 HB1 LEU 63 -4.432 -0.036 -7.555 481 HG LEU 63 HG LEU 63 -5.613 1.758 -6.178 482 1HD1 LEU 63 HD11 LEU 63 -3.233 1.354 -4.574 483 2HD1 LEU 63 HD12 LEU 63 -4.672 2.305 -4.205 484 3HD1 LEU 63 HD13 LEU 63 -3.342 3.032 -5.107 485 1HD2 LEU 63 HD21 LEU 63 -4.801 3.242 -7.682 486 2HD2 LEU 63 HD22 LEU 63 -3.766 1.926 -8.236 487 3HD2 LEU 63 HD23 LEU 63 -3.158 3.092 -7.061 488 H VAL 64 HN VAL 64 -6.281 -0.780 -3.397 489 HA VAL 64 HA VAL 64 -8.826 -0.440 -4.636 490 HB VAL 64 HB VAL 64 -7.862 -0.315 -1.776 491 1HG1 VAL 64 HG11 VAL 64 -9.912 0.897 -1.833 492 2HG1 VAL 64 HG12 VAL 64 -10.333 -0.744 -1.341 493 3HG1 VAL 64 HG13 VAL 64 -10.611 -0.222 -3.001 494 1HG2 VAL 64 HG21 VAL 64 -8.110 -2.421 -3.549 495 2HG2 VAL 64 HG22 VAL 64 -9.646 -2.454 -2.683 496 3HG2 VAL 64 HG23 VAL 64 -8.129 -2.558 -1.791 497 H ALA 65 HN ALA 65 -6.820 1.875 -2.671 498 HA ALA 65 HA ALA 65 -8.146 4.023 -4.262 499 1HB ALA 65 HB1 ALA 65 -8.586 3.522 -1.381 500 2HB ALA 65 HB2 ALA 65 -9.602 4.369 -2.547 501 3HB ALA 65 HB3 ALA 65 -8.232 5.197 -1.807 502 H LYS 66 HN LYS 66 -6.591 5.593 -4.814 503 HA LYS 66 HA LYS 66 -4.031 5.397 -3.360 504 1HB LYS 66 HB2 LYS 66 -4.422 7.127 -5.740 505 2HB LYS 66 HB1 LYS 66 -3.006 6.191 -5.260 506 1HG LYS 66 HG2 LYS 66 -3.769 4.845 -6.899 507 2HG LYS 66 HG1 LYS 66 -4.735 4.191 -5.605 508 1HD LYS 66 HD2 LYS 66 -6.530 4.644 -6.903 509 2HD LYS 66 HD1 LYS 66 -6.235 6.340 -6.514 510 1HE LYS 66 HE2 LYS 66 -4.419 5.907 -8.527 511 2HE LYS 66 HE1 LYS 66 -5.764 4.883 -9.030 512 1HZ LYS 66 HZ1 LYS 66 -7.242 6.721 -8.934 513 2HZ LYS 66 HZ2 LYS 66 -5.884 7.221 -9.825 514 3HZ LYS 66 HZ3 LYS 66 -6.074 7.717 -8.212 515 H GLU 67 HN GLU 67 -2.906 7.356 -2.872 516 HA GLU 67 HA GLU 67 -4.602 9.748 -2.478 517 1HB GLU 67 HB2 GLU 67 -3.286 8.101 -0.430 518 2HB GLU 67 HB1 GLU 67 -3.223 9.824 -0.205 519 1HG GLU 67 HG2 GLU 67 -5.825 8.494 -0.891 520 2HG GLU 67 HG1 GLU 67 -5.251 8.495 0.778 521 H THR 68 HN THR 68 -3.531 11.250 -3.648 522 HA THR 68 HA THR 68 -0.601 11.596 -3.178 523 HB THR 68 HB THR 68 -0.098 11.689 -5.476 524 HG1 THR 68 HG1 THR 68 -1.514 12.286 -6.953 525 1HG2 THR 68 HG21 THR 68 -2.275 9.611 -5.126 526 2HG2 THR 68 HG22 THR 68 -0.548 9.386 -4.846 527 3HG2 THR 68 HG23 THR 68 -1.150 9.649 -6.483 528 H ASP 69 HN ASP 69 -3.046 12.925 -2.206 529 HA ASP 69 HA ASP 69 -3.256 15.450 -3.658 530 1HB ASP 69 HB2 ASP 69 -4.215 14.735 -0.882 531 2HB ASP 69 HB1 ASP 69 -4.739 16.128 -1.831 532 H GLY 70 HN GLY 70 -0.815 14.294 -1.953 533 1HA GLY 70 HA2 GLY 70 0.997 16.070 -1.715 534 2HA GLY 70 HA1 GLY 70 -0.134 16.820 -0.620 535 H LEU 71 HN LEU 71 2.476 15.143 -0.621 536 HA LEU 71 HA LEU 71 2.490 12.878 0.826 537 1HB LEU 71 HB2 LEU 71 4.161 15.319 1.441 538 2HB LEU 71 HB1 LEU 71 4.476 13.723 2.088 539 HG LEU 71 HG LEU 71 4.121 13.917 -0.829 540 1HD1 LEU 71 HD11 LEU 71 6.680 14.745 0.565 541 2HD1 LEU 71 HD12 LEU 71 5.588 15.858 -0.260 542 3HD1 LEU 71 HD13 LEU 71 6.439 14.615 -1.177 543 1HD2 LEU 71 HD21 LEU 71 5.823 12.358 1.114 544 2HD2 LEU 71 HD22 LEU 71 6.066 12.263 -0.631 545 3HD2 LEU 71 HD23 LEU 71 4.533 11.752 0.076 546 HA PRO 72 HA PRO 72 3.359 11.888 2.297 547 1HB PRO 72 HB2 PRO 72 2.361 9.916 3.893 548 2HB PRO 72 HB1 PRO 72 3.587 11.069 4.456 549 1HG PRO 72 HG2 PRO 72 0.676 10.972 5.055 550 2HG PRO 72 HG1 PRO 72 1.996 11.581 6.071 551 1HD PRO 72 HD2 PRO 72 0.215 13.174 4.562 552 2HD PRO 72 HD1 PRO 72 1.770 13.721 5.232 553 H TYR 73 HN TYR 73 2.809 10.216 0.864 554 HA TYR 73 HA TYR 73 0.211 10.266 -0.356 555 1HB TYR 73 HB2 TYR 73 2.117 8.024 -0.705 556 2HB TYR 73 HB1 TYR 73 1.028 8.730 -1.890 557 HD1 TYR 73 HD1 TYR 73 4.260 8.695 -0.481 558 HD2 TYR 73 HD2 TYR 73 1.535 11.121 -2.694 559 HE1 TYR 73 HE1 TYR 73 6.169 10.027 -1.313 560 HE2 TYR 73 HE2 TYR 73 3.406 12.512 -3.511 561 HH TYR 73 HH TYR 73 5.996 12.948 -2.414 562 H ARG 74 HN ARG 74 -1.160 8.277 -0.622 563 HA ARG 74 HA ARG 74 -0.710 6.187 1.351 564 1HB ARG 74 HB2 ARG 74 -3.020 8.087 1.447 565 2HB ARG 74 HB1 ARG 74 -3.235 6.401 1.932 566 1HG ARG 74 HG2 ARG 74 -1.888 6.577 3.734 567 2HG ARG 74 HG1 ARG 74 -0.868 7.786 2.998 568 1HD ARG 74 HD2 ARG 74 -1.984 9.395 4.115 569 2HD ARG 74 HD1 ARG 74 -3.458 8.929 3.266 570 HE ARG 74 HE ARG 74 -3.164 7.065 5.338 571 1HH1 ARG 74 HH21 ARG 74 -4.431 10.115 4.651 572 2HH1 ARG 74 HH22 ARG 74 -4.797 10.520 6.295 573 1HH2 ARG 74 HH11 ARG 74 -3.211 7.733 7.614 574 2HH2 ARG 74 HH12 ARG 74 -4.107 9.171 7.971 575 H TYR 75 HN TYR 75 -1.879 4.299 0.803 576 HA TYR 75 HA TYR 75 -3.422 4.361 -1.676 577 1HB TYR 75 HB2 TYR 75 -1.223 2.395 -1.667 578 2HB TYR 75 HB1 TYR 75 -2.009 3.200 -3.025 579 HD1 TYR 75 HD1 TYR 75 -1.520 5.765 -3.299 580 HD2 TYR 75 HD2 TYR 75 0.748 3.114 -0.875 581 HE1 TYR 75 HE1 TYR 75 0.406 7.325 -3.437 582 HE2 TYR 75 HE2 TYR 75 2.705 4.656 -0.977 583 HH TYR 75 HH TYR 75 3.335 6.776 -1.544 584 H LEU 76 HN LEU 76 -5.093 2.917 -1.326 585 HA LEU 76 HA LEU 76 -4.711 0.993 0.777 586 1HB LEU 76 HB2 LEU 76 -6.891 2.104 0.649 587 2HB LEU 76 HB1 LEU 76 -7.127 1.473 -0.963 588 HG LEU 76 HG LEU 76 -6.704 -0.832 0.083 589 1HD1 LEU 76 HD11 LEU 76 -7.820 0.011 2.613 590 2HD1 LEU 76 HD12 LEU 76 -6.254 0.772 2.332 591 3HD1 LEU 76 HD13 LEU 76 -6.399 -0.985 2.298 592 1HD2 LEU 76 HD21 LEU 76 -9.195 -0.101 1.252 593 2HD2 LEU 76 HD22 LEU 76 -8.882 -0.973 -0.249 594 3HD2 LEU 76 HD23 LEU 76 -8.972 0.789 -0.253 595 H ILE 77 HN ILE 77 -4.862 -1.370 0.224 596 HA ILE 77 HA ILE 77 -4.952 -1.911 -2.670 597 HB ILE 77 HB ILE 77 -2.755 -2.926 -0.860 598 1HG1 ILE 77 HG12 ILE 77 -2.958 -0.545 -2.687 599 2HG1 ILE 77 HG11 ILE 77 -2.314 -0.627 -1.053 600 1HG2 ILE 77 HG21 ILE 77 -2.087 -4.203 -2.615 601 2HG2 ILE 77 HG22 ILE 77 -2.347 -2.893 -3.767 602 3HG2 ILE 77 HG23 ILE 77 -3.695 -3.917 -3.275 603 1HD1 ILE 77 HD11 ILE 77 -1.008 -2.032 -3.397 604 2HD1 ILE 77 HD12 ILE 77 -0.334 -1.755 -1.790 605 3HD1 ILE 77 HD13 ILE 77 -0.575 -0.400 -2.891 606 H ARG 78 HN ARG 78 -6.687 -3.298 -2.728 607 HA ARG 78 HA ARG 78 -7.262 -5.100 -0.520 608 1HB ARG 78 HB2 ARG 78 -9.067 -4.307 -1.968 609 2HB ARG 78 HB1 ARG 78 -8.302 -5.058 -3.369 610 1HG ARG 78 HG2 ARG 78 -8.436 -7.246 -1.925 611 2HG ARG 78 HG1 ARG 78 -9.683 -6.363 -1.041 612 1HD ARG 78 HD2 ARG 78 -10.316 -5.892 -3.709 613 2HD ARG 78 HD1 ARG 78 -9.808 -7.580 -3.694 614 HE ARG 78 HE ARG 78 -11.499 -7.544 -1.578 615 1HH1 ARG 78 HH21 ARG 78 -12.477 -8.707 -4.116 616 2HH1 ARG 78 HH22 ARG 78 -13.860 -7.730 -4.478 617 1HH2 ARG 78 HH11 ARG 78 -12.961 -5.182 -2.306 618 2HH2 ARG 78 HH12 ARG 78 -14.134 -5.734 -3.455 619 H LYS 79 HN LYS 79 -5.895 -6.778 -0.094 620 HA LYS 79 HA LYS 79 -4.063 -7.950 -1.946 621 1HB LYS 79 HB2 LYS 79 -4.124 -8.138 0.632 622 2HB LYS 79 HB1 LYS 79 -5.257 -9.463 0.373 623 1HG LYS 79 HG2 LYS 79 -2.676 -9.410 -1.160 624 2HG LYS 79 HG1 LYS 79 -2.674 -9.963 0.516 625 1HD LYS 79 HD2 LYS 79 -4.555 -11.540 -0.106 626 2HD LYS 79 HD1 LYS 79 -4.274 -11.100 -1.791 627 1HE LYS 79 HE2 LYS 79 -1.961 -11.886 -1.640 628 2HE LYS 79 HE1 LYS 79 -2.176 -12.256 0.070 629 1HZ LYS 79 HZ1 LYS 79 -3.275 -14.132 -0.394 630 2HZ LYS 79 HZ2 LYS 79 -2.569 -14.001 -1.934 631 3HZ LYS 79 HZ3 LYS 79 -4.151 -13.439 -1.670 632 H GLY 80 HN GLY 80 -4.364 -9.504 -3.479 633 1HA GLY 80 HA2 GLY 80 -6.348 -11.542 -3.415 634 2HA GLY 80 HA1 GLY 80 -6.967 -10.199 -4.379 635 H GLY 81 HN GLY 81 -6.787 -12.095 -6.020 636 1HA GLY 81 HA2 GLY 81 -4.431 -11.579 -7.666 637 2HA GLY 81 HA1 GLY 81 -4.492 -13.224 -7.030 Start of MODEL 10 1 1H MET 1 HT1 MET 1 -19.611 9.417 -3.940 2 2H MET 1 HT2 MET 1 -20.142 8.170 -2.915 3 3H MET 1 HT3 MET 1 -18.527 8.210 -3.443 4 HA MET 1 HA MET 1 -18.241 10.350 -2.252 5 1HB MET 1 HB2 MET 1 -19.932 11.025 -0.666 6 2HB MET 1 HB1 MET 1 -20.724 10.826 -2.230 7 1HG MET 1 HG2 MET 1 -20.744 8.288 -0.936 8 2HG MET 1 HG1 MET 1 -21.303 9.483 0.235 9 1HE MET 1 HE1 MET 1 -23.410 7.479 -0.306 10 2HE MET 1 HE2 MET 1 -22.482 6.971 -1.714 11 3HE MET 1 HE3 MET 1 -24.174 7.425 -1.901 12 H THR 2 HN THR 2 -19.005 7.062 -1.811 13 HA THR 2 HA THR 2 -18.196 6.867 0.983 14 HB THR 2 HB THR 2 -18.292 4.649 -1.078 15 HG1 THR 2 HG1 THR 2 -20.421 4.464 -0.609 16 1HG2 THR 2 HG21 THR 2 -17.874 4.832 1.820 17 2HG2 THR 2 HG22 THR 2 -17.514 3.507 0.714 18 3HG2 THR 2 HG23 THR 2 -19.142 3.692 1.368 19 H ASP 3 HN ASP 3 -16.119 6.921 1.679 20 HA ASP 3 HA ASP 3 -13.913 6.991 -0.210 21 1HB ASP 3 HB2 ASP 3 -14.336 7.608 2.568 22 2HB ASP 3 HB1 ASP 3 -12.929 6.554 2.418 23 H LEU 4 HN LEU 4 -12.510 5.340 -0.743 24 HA LEU 4 HA LEU 4 -13.315 2.616 -0.002 25 1HB LEU 4 HB2 LEU 4 -11.273 3.794 -1.882 26 2HB LEU 4 HB1 LEU 4 -11.259 2.072 -1.497 27 HG LEU 4 HG LEU 4 -13.790 3.446 -2.392 28 1HD1 LEU 4 HD11 LEU 4 -12.011 3.838 -4.096 29 2HD1 LEU 4 HD12 LEU 4 -13.283 2.770 -4.685 30 3HD1 LEU 4 HD13 LEU 4 -11.735 2.098 -4.171 31 1HD2 LEU 4 HD21 LEU 4 -14.338 1.328 -1.612 32 2HD2 LEU 4 HD22 LEU 4 -12.773 0.646 -2.055 33 3HD2 LEU 4 HD23 LEU 4 -13.983 0.959 -3.299 34 H PHE 5 HN PHE 5 -11.288 4.957 1.324 35 HA PHE 5 HA PHE 5 -9.270 3.077 2.342 36 1HB PHE 5 HB2 PHE 5 -9.714 6.024 2.452 37 2HB PHE 5 HB1 PHE 5 -8.775 5.293 3.753 38 HD1 PHE 5 HD1 PHE 5 -6.794 6.576 2.928 39 HD2 PHE 5 HD2 PHE 5 -8.741 3.611 0.520 40 HE1 PHE 5 HE1 PHE 5 -4.826 6.445 1.438 41 HE2 PHE 5 HE2 PHE 5 -6.741 3.506 -0.938 42 HZ PHE 5 HZ PHE 5 -4.791 4.976 -0.508 43 H SER 6 HN SER 6 -12.318 3.128 3.049 44 HA SER 6 HA SER 6 -12.791 3.815 5.701 45 1HB SER 6 HB2 SER 6 -13.640 1.218 4.383 46 2HB SER 6 HB1 SER 6 -14.397 1.960 5.789 47 HG SER 6 HG SER 6 -14.370 2.794 3.100 48 H SER 7 HN SER 7 -12.947 2.054 7.570 49 HA SER 7 HA SER 7 -10.398 1.450 8.491 50 1HB SER 7 HB2 SER 7 -11.525 -0.387 9.842 51 2HB SER 7 HB1 SER 7 -12.257 1.208 9.985 52 HG SER 7 HG SER 7 -13.994 0.455 9.075 53 HA PRO 8 HA PRO 8 -9.462 -1.640 5.333 54 1HB PRO 8 HB2 PRO 8 -6.746 -1.446 5.666 55 2HB PRO 8 HB1 PRO 8 -7.692 -0.352 4.648 56 1HG PRO 8 HG2 PRO 8 -6.511 0.148 7.345 57 2HG PRO 8 HG1 PRO 8 -6.857 1.296 6.040 58 1HD PRO 8 HD2 PRO 8 -8.432 0.916 8.348 59 2HD PRO 8 HD1 PRO 8 -8.946 1.759 6.872 60 H ASP 9 HN ASP 9 -8.262 -3.743 5.483 61 HA ASP 9 HA ASP 9 -8.662 -4.949 8.117 62 1HB ASP 9 HB2 ASP 9 -7.560 -6.077 5.525 63 2HB ASP 9 HB1 ASP 9 -7.877 -7.031 6.974 64 H HIS 10 HN HIS 10 -5.999 -3.630 6.307 65 HA HIS 10 HA HIS 10 -4.208 -4.242 8.597 66 1HB HIS 10 HB2 HIS 10 -3.814 -5.043 5.722 67 2HB HIS 10 HB1 HIS 10 -2.426 -4.726 6.757 68 HD1 HIS 10 HD1 HIS 10 -1.677 -6.641 8.191 69 HD2 HIS 10 HD2 HIS 10 -5.631 -7.084 6.946 70 HE1 HIS 10 HE1 HIS 10 -2.434 -8.915 9.012 71 H THR 11 HN THR 11 -2.026 -2.970 8.172 72 HA THR 11 HA THR 11 -2.478 -0.511 6.583 73 HB THR 11 HB THR 11 -1.705 -0.472 9.500 74 HG1 THR 11 HG1 THR 11 -3.845 -0.884 9.455 75 1HG2 THR 11 HG21 THR 11 -2.332 1.748 7.537 76 2HG2 THR 11 HG22 THR 11 -0.735 1.355 8.172 77 3HG2 THR 11 HG23 THR 11 -1.985 1.975 9.251 78 H LEU 12 HN LEU 12 -0.433 0.736 6.365 79 HA LEU 12 HA LEU 12 2.045 -0.689 7.141 80 1HB LEU 12 HB2 LEU 12 1.721 -1.685 4.996 81 2HB LEU 12 HB1 LEU 12 1.198 -0.159 4.297 82 HG LEU 12 HG LEU 12 3.421 0.753 4.290 83 1HD1 LEU 12 HD11 LEU 12 5.264 -0.685 5.470 84 2HD1 LEU 12 HD12 LEU 12 3.917 -1.389 6.365 85 3HD1 LEU 12 HD13 LEU 12 4.233 0.341 6.460 86 1HD2 LEU 12 HD21 LEU 12 3.455 -0.799 2.541 87 2HD2 LEU 12 HD22 LEU 12 3.345 -2.185 3.627 88 3HD2 LEU 12 HD23 LEU 12 4.855 -1.287 3.490 89 H ASP 13 HN ASP 13 3.023 0.999 8.200 90 HA ASP 13 HA ASP 13 2.724 3.756 7.281 91 1HB ASP 13 HB2 ASP 13 3.166 3.073 9.696 92 2HB ASP 13 HB1 ASP 13 4.808 2.662 9.197 93 H ALA 14 HN ALA 14 4.198 4.862 5.904 94 HA ALA 14 HA ALA 14 6.712 3.427 5.280 95 1HB ALA 14 HB1 ALA 14 5.400 4.421 2.859 96 2HB ALA 14 HB2 ALA 14 4.572 3.067 3.630 97 3HB ALA 14 HB3 ALA 14 6.259 2.908 3.145 98 H LEU 15 HN LEU 15 5.591 5.841 6.556 99 HA LEU 15 HA LEU 15 6.734 8.107 5.141 100 1HB LEU 15 HB2 LEU 15 6.027 8.146 8.036 101 2HB LEU 15 HB1 LEU 15 5.800 9.361 6.791 102 HG LEU 15 HG LEU 15 4.201 6.824 7.114 103 1HD1 LEU 15 HD11 LEU 15 2.618 8.080 8.105 104 2HD1 LEU 15 HD12 LEU 15 2.821 9.396 6.949 105 3HD1 LEU 15 HD13 LEU 15 3.893 9.274 8.344 106 1HD2 LEU 15 HD21 LEU 15 3.134 7.296 5.090 107 2HD2 LEU 15 HD22 LEU 15 4.804 7.693 4.715 108 3HD2 LEU 15 HD23 LEU 15 3.655 8.975 5.087 109 H GLY 16 HN GLY 16 8.855 7.950 5.001 110 1HA GLY 16 HA2 GLY 16 11.046 8.316 6.029 111 2HA GLY 16 HA1 GLY 16 10.441 7.513 7.487 112 H LEU 17 HN LEU 17 9.120 5.782 5.089 113 HA LEU 17 HA LEU 17 11.203 3.695 5.175 114 1HB LEU 17 HB2 LEU 17 8.334 3.710 4.184 115 2HB LEU 17 HB1 LEU 17 9.408 2.322 4.066 116 HG LEU 17 HG LEU 17 8.088 3.508 6.458 117 1HD1 LEU 17 HD11 LEU 17 8.951 0.665 6.101 118 2HD1 LEU 17 HD12 LEU 17 7.682 1.278 5.041 119 3HD1 LEU 17 HD13 LEU 17 7.457 1.297 6.791 120 1HD2 LEU 17 HD21 LEU 17 9.770 2.273 7.878 121 2HD2 LEU 17 HD22 LEU 17 10.382 3.743 7.117 122 3HD2 LEU 17 HD23 LEU 17 10.793 2.164 6.446 123 H ARG 18 HN ARG 18 12.048 2.891 3.204 124 HA ARG 18 HA ARG 18 11.142 4.326 0.785 125 1HB ARG 18 HB2 ARG 18 13.649 4.652 0.211 126 2HB ARG 18 HB1 ARG 18 12.847 5.758 1.329 127 1HG ARG 18 HG2 ARG 18 13.951 3.412 2.680 128 2HG ARG 18 HG1 ARG 18 15.189 4.363 1.859 129 1HD ARG 18 HD2 ARG 18 13.778 6.367 2.988 130 2HD ARG 18 HD1 ARG 18 13.461 5.093 4.166 131 HE ARG 18 HE ARG 18 15.920 6.506 3.935 132 1HH1 ARG 18 HH11 ARG 18 16.957 4.008 2.798 133 2HH1 ARG 18 HH12 ARG 18 17.347 3.065 4.199 134 1HH2 ARG 18 HH21 ARG 18 15.433 4.992 6.356 135 2HH2 ARG 18 HH22 ARG 18 16.485 3.623 6.213 136 H CYS 19 HN CYS 19 11.541 3.184 -1.109 137 HA CYS 19 HA CYS 19 11.412 0.399 -1.014 138 1HB CYS 19 HB2 CYS 19 10.953 1.468 -3.080 139 2HB CYS 19 HB1 CYS 19 12.551 2.206 -3.150 140 HG CYS 19 HG CYS 19 13.504 -0.306 -3.422 141 HA PRO 20 HA PRO 20 11.836 -1.370 -1.710 142 1HB PRO 20 HB2 PRO 20 12.751 -3.776 -0.797 143 2HB PRO 20 HB1 PRO 20 13.242 -3.095 -2.358 144 1HG PRO 20 HG2 PRO 20 14.807 -3.316 0.165 145 2HG PRO 20 HG1 PRO 20 15.386 -3.200 -1.502 146 1HD PRO 20 HD2 PRO 20 15.280 -1.100 0.428 147 2HD PRO 20 HD1 PRO 20 15.696 -0.949 -1.292 148 H GLU 21 HN GLU 21 12.973 -0.447 1.269 149 HA GLU 21 HA GLU 21 11.977 -2.207 3.165 150 1HB GLU 21 HB2 GLU 21 12.241 0.747 3.217 151 2HB GLU 21 HB1 GLU 21 11.639 -0.120 4.621 152 1HG GLU 21 HG2 GLU 21 13.662 -1.358 4.844 153 2HG GLU 21 HG1 GLU 21 14.219 -0.880 3.240 154 HA PRO 22 HA PRO 22 7.714 -0.126 3.264 155 1HB PRO 22 HB2 PRO 22 7.015 1.215 0.969 156 2HB PRO 22 HB1 PRO 22 7.707 1.996 2.386 157 1HG PRO 22 HG2 PRO 22 9.001 1.339 -0.216 158 2HG PRO 22 HG1 PRO 22 9.373 2.647 0.922 159 1HD PRO 22 HD2 PRO 22 10.838 0.283 0.668 160 2HD PRO 22 HD1 PRO 22 10.895 1.351 2.077 161 H VAL 23 HN VAL 23 8.468 -0.578 -0.159 162 HA VAL 23 HA VAL 23 6.350 -2.246 -0.916 163 HB VAL 23 HB VAL 23 9.284 -2.418 -1.653 164 1HG1 VAL 23 HG11 VAL 23 8.134 -3.461 -3.793 165 2HG1 VAL 23 HG12 VAL 23 6.857 -3.870 -2.647 166 3HG1 VAL 23 HG13 VAL 23 8.494 -4.474 -2.395 167 1HG2 VAL 23 HG21 VAL 23 8.896 -0.672 -3.037 168 2HG2 VAL 23 HG22 VAL 23 7.362 -0.452 -2.193 169 3HG2 VAL 23 HG23 VAL 23 7.428 -1.420 -3.666 170 H MET 24 HN MET 24 9.112 -2.881 1.150 171 HA MET 24 HA MET 24 8.850 -5.785 1.087 172 1HB MET 24 HB2 MET 24 10.382 -3.797 2.721 173 2HB MET 24 HB1 MET 24 10.217 -5.444 3.329 174 1HG MET 24 HG2 MET 24 10.851 -5.692 0.589 175 2HG MET 24 HG1 MET 24 11.936 -4.457 1.228 176 1HE MET 24 HE1 MET 24 14.363 -7.269 1.291 177 2HE MET 24 HE2 MET 24 14.397 -5.565 1.735 178 3HE MET 24 HE3 MET 24 13.525 -6.074 0.291 179 H MET 25 HN MET 25 7.776 -3.217 3.303 180 HA MET 25 HA MET 25 6.651 -4.918 5.283 181 1HB MET 25 HB2 MET 25 6.233 -2.082 4.429 182 2HB MET 25 HB1 MET 25 5.033 -2.809 5.500 183 1HG MET 25 HG2 MET 25 8.020 -2.752 6.024 184 2HG MET 25 HG1 MET 25 6.842 -1.674 6.772 185 1HE MET 25 HE1 MET 25 8.805 -4.730 8.261 186 2HE MET 25 HE2 MET 25 8.685 -4.540 6.515 187 3HE MET 25 HE3 MET 25 7.918 -5.919 7.298 188 H VAL 26 HN VAL 26 5.226 -3.521 2.323 189 HA VAL 26 HA VAL 26 2.606 -4.633 2.733 190 HB VAL 26 HB VAL 26 4.077 -3.990 0.161 191 1HG1 VAL 26 HG11 VAL 26 1.730 -5.511 0.502 192 2HG1 VAL 26 HG12 VAL 26 2.299 -4.781 -0.997 193 3HG1 VAL 26 HG13 VAL 26 1.172 -3.906 0.038 194 1HG2 VAL 26 HG21 VAL 26 2.384 -2.467 2.082 195 2HG2 VAL 26 HG22 VAL 26 2.134 -2.144 0.367 196 3HG2 VAL 26 HG23 VAL 26 3.728 -1.910 1.086 197 H ARG 27 HN ARG 27 5.618 -5.962 1.576 198 HA ARG 27 HA ARG 27 4.536 -8.297 0.291 199 1HB ARG 27 HB2 ARG 27 7.215 -7.597 1.449 200 2HB ARG 27 HB1 ARG 27 6.872 -9.264 0.970 201 1HG ARG 27 HG2 ARG 27 6.234 -7.024 -0.921 202 2HG ARG 27 HG1 ARG 27 7.897 -7.590 -0.780 203 1HD ARG 27 HD2 ARG 27 5.561 -9.451 -1.264 204 2HD ARG 27 HD1 ARG 27 6.525 -8.757 -2.568 205 HE ARG 27 HE ARG 27 8.375 -9.920 -0.818 206 1HH1 ARG 27 HH11 ARG 27 7.675 -10.714 -3.728 207 2HH1 ARG 27 HH12 ARG 27 7.343 -12.400 -3.515 208 1HH2 ARG 27 HH21 ARG 27 7.069 -12.183 -0.066 209 2HH2 ARG 27 HH22 ARG 27 6.999 -13.232 -1.443 210 H LYS 28 HN LYS 28 6.020 -7.939 3.487 211 HA LYS 28 HA LYS 28 5.373 -10.548 4.441 212 1HB LYS 28 HB2 LYS 28 5.899 -7.934 5.877 213 2HB LYS 28 HB1 LYS 28 5.597 -9.441 6.744 214 1HG LYS 28 HG2 LYS 28 7.692 -9.307 4.582 215 2HG LYS 28 HG1 LYS 28 8.064 -8.798 6.230 216 1HD LYS 28 HD2 LYS 28 6.652 -11.390 6.000 217 2HD LYS 28 HD1 LYS 28 8.296 -11.369 5.360 218 1HE LYS 28 HE2 LYS 28 8.648 -10.014 7.699 219 2HE LYS 28 HE1 LYS 28 7.356 -11.123 8.156 220 1HZ LYS 28 HZ1 LYS 28 10.069 -11.743 7.186 221 2HZ LYS 28 HZ2 LYS 28 8.814 -12.874 7.006 222 3HZ LYS 28 HZ3 LYS 28 9.263 -12.339 8.555 223 H THR 29 HN THR 29 3.659 -7.496 4.540 224 HA THR 29 HA THR 29 1.407 -8.352 6.115 225 HB THR 29 HB THR 29 2.169 -6.119 4.319 226 HG1 THR 29 HG1 THR 29 2.329 -6.305 6.705 227 1HG2 THR 29 HG21 THR 29 -0.023 -5.135 4.210 228 2HG2 THR 29 HG22 THR 29 -0.716 -6.452 5.157 229 3HG2 THR 29 HG23 THR 29 -0.120 -6.753 3.523 230 H VAL 30 HN VAL 30 2.297 -8.377 2.756 231 HA VAL 30 HA VAL 30 -0.235 -9.239 1.673 232 HB VAL 30 HB VAL 30 2.640 -9.173 0.766 233 1HG1 VAL 30 HG11 VAL 30 0.395 -10.724 -0.460 234 2HG1 VAL 30 HG12 VAL 30 2.088 -11.176 -0.261 235 3HG1 VAL 30 HG13 VAL 30 1.630 -9.996 -1.489 236 1HG2 VAL 30 HG21 VAL 30 0.863 -7.234 0.657 237 2HG2 VAL 30 HG22 VAL 30 0.265 -8.121 -0.746 238 3HG2 VAL 30 HG23 VAL 30 1.923 -7.521 -0.723 239 H ARG 31 HN ARG 31 2.524 -10.711 3.157 240 HA ARG 31 HA ARG 31 1.883 -13.459 2.445 241 1HB ARG 31 HB2 ARG 31 3.682 -12.276 4.584 242 2HB ARG 31 HB1 ARG 31 3.589 -13.995 4.204 243 1HG ARG 31 HG2 ARG 31 4.229 -13.417 1.823 244 2HG ARG 31 HG1 ARG 31 4.523 -11.771 2.368 245 1HD ARG 31 HD2 ARG 31 6.471 -13.605 2.317 246 2HD ARG 31 HD1 ARG 31 6.413 -12.338 3.542 247 HE ARG 31 HE ARG 31 5.268 -14.065 5.019 248 1HH1 ARG 31 HH11 ARG 31 8.233 -14.626 4.394 249 2HH1 ARG 31 HH12 ARG 31 8.175 -16.331 4.093 250 1HH2 ARG 31 HH21 ARG 31 4.728 -16.419 3.730 251 2HH2 ARG 31 HH22 ARG 31 6.191 -17.346 3.717 252 H ASN 32 HN ASN 32 1.151 -11.196 5.039 253 HA ASN 32 HA ASN 32 -0.268 -13.376 6.505 254 1HB ASN 32 HB2 ASN 32 -0.336 -11.866 8.405 255 2HB ASN 32 HB1 ASN 32 1.313 -11.919 7.785 256 1HD2 ASN 32 HD21 ASN 32 1.727 -9.755 8.689 257 2HD2 ASN 32 HD22 ASN 32 1.092 -8.367 7.944 258 H MET 33 HN MET 33 -1.011 -11.487 4.036 259 HA MET 33 HA MET 33 -3.621 -10.549 5.098 260 1HB MET 33 HB2 MET 33 -1.963 -9.879 2.709 261 2HB MET 33 HB1 MET 33 -3.714 -9.736 2.551 262 1HG MET 33 HG2 MET 33 -3.426 -8.519 4.918 263 2HG MET 33 HG1 MET 33 -1.835 -8.175 4.260 264 1HE MET 33 HE1 MET 33 -5.157 -8.650 2.075 265 2HE MET 33 HE2 MET 33 -5.889 -7.085 2.417 266 3HE MET 33 HE3 MET 33 -5.558 -8.202 3.738 267 H GLN 34 HN GLN 34 -5.360 -10.788 3.171 268 HA GLN 34 HA GLN 34 -5.266 -13.568 2.113 269 1HB GLN 34 HB2 GLN 34 -7.276 -12.383 4.003 270 2HB GLN 34 HB1 GLN 34 -7.824 -13.549 2.798 271 1HG GLN 34 HG2 GLN 34 -6.697 -15.294 3.770 272 2HG GLN 34 HG1 GLN 34 -5.367 -14.269 4.313 273 1HE2 GLN 34 HE21 GLN 34 -8.915 -14.576 4.969 274 2HE2 GLN 34 HE22 GLN 34 -8.764 -14.374 6.647 275 HA PRO 35 HA PRO 35 -6.858 -11.633 -1.461 276 1HB PRO 35 HB2 PRO 35 -8.316 -13.711 -2.539 277 2HB PRO 35 HB1 PRO 35 -6.551 -13.585 -2.617 278 1HG PRO 35 HG2 PRO 35 -8.238 -15.314 -0.850 279 2HG PRO 35 HG1 PRO 35 -6.614 -15.617 -1.492 280 1HD PRO 35 HD2 PRO 35 -7.158 -14.788 1.126 281 2HD PRO 35 HD1 PRO 35 -5.588 -14.609 0.312 282 H GLY 36 HN GLY 36 -8.440 -10.156 -1.454 283 1HA GLY 36 HA2 GLY 36 -10.810 -9.573 -1.650 284 2HA GLY 36 HA1 GLY 36 -11.188 -10.965 -0.628 285 H GLU 37 HN GLU 37 -8.409 -9.202 0.310 286 HA GLU 37 HA GLU 37 -9.968 -7.921 2.517 287 1HB GLU 37 HB2 GLU 37 -7.335 -9.332 2.420 288 2HB GLU 37 HB1 GLU 37 -7.501 -7.981 3.537 289 1HG GLU 37 HG2 GLU 37 -9.754 -9.176 4.194 290 2HG GLU 37 HG1 GLU 37 -8.971 -10.597 3.501 291 H THR 38 HN THR 38 -8.280 -6.066 3.468 292 HA THR 38 HA THR 38 -7.258 -4.554 1.116 293 HB THR 38 HB THR 38 -8.293 -2.503 2.473 294 HG1 THR 38 HG1 THR 38 -9.842 -3.066 3.771 295 1HG2 THR 38 HG21 THR 38 -8.731 -3.520 0.088 296 2HG2 THR 38 HG22 THR 38 -9.900 -2.401 0.789 297 3HG2 THR 38 HG23 THR 38 -10.204 -4.138 0.837 298 H LEU 39 HN LEU 39 -5.724 -2.888 1.671 299 HA LEU 39 HA LEU 39 -4.627 -2.951 4.440 300 1HB LEU 39 HB2 LEU 39 -3.319 -4.647 3.372 301 2HB LEU 39 HB1 LEU 39 -3.149 -3.693 1.902 302 HG LEU 39 HG LEU 39 -2.038 -1.957 3.614 303 1HD1 LEU 39 HD11 LEU 39 -0.560 -3.568 5.094 304 2HD1 LEU 39 HD12 LEU 39 -1.962 -4.628 4.952 305 3HD1 LEU 39 HD13 LEU 39 -2.136 -3.024 5.662 306 1HD2 LEU 39 HD21 LEU 39 0.172 -3.075 3.061 307 2HD2 LEU 39 HD22 LEU 39 -0.876 -2.781 1.673 308 3HD2 LEU 39 HD23 LEU 39 -0.759 -4.400 2.363 309 H LEU 40 HN LEU 40 -4.473 -0.790 4.973 310 HA LEU 40 HA LEU 40 -4.243 1.231 2.842 311 1HB LEU 40 HB2 LEU 40 -5.759 1.813 4.619 312 2HB LEU 40 HB1 LEU 40 -4.565 1.408 5.853 313 HG LEU 40 HG LEU 40 -3.100 3.236 4.926 314 1HD1 LEU 40 HD11 LEU 40 -5.579 4.216 3.518 315 2HD1 LEU 40 HD12 LEU 40 -4.419 3.178 2.690 316 3HD1 LEU 40 HD13 LEU 40 -3.910 4.749 3.309 317 1HD2 LEU 40 HD21 LEU 40 -5.068 3.382 6.769 318 2HD2 LEU 40 HD22 LEU 40 -5.672 4.568 5.612 319 3HD2 LEU 40 HD23 LEU 40 -4.075 4.772 6.331 320 H ILE 41 HN ILE 41 -2.382 2.560 2.604 321 HA ILE 41 HA ILE 41 -0.036 1.869 4.310 322 HB ILE 41 HB ILE 41 0.178 2.031 1.309 323 1HG1 ILE 41 HG12 ILE 41 -0.706 -0.285 3.035 324 2HG1 ILE 41 HG11 ILE 41 -1.367 0.274 1.510 325 1HG2 ILE 41 HG21 ILE 41 1.998 1.767 3.459 326 2HG2 ILE 41 HG22 ILE 41 2.349 1.635 1.735 327 3HG2 ILE 41 HG23 ILE 41 1.943 0.196 2.664 328 1HD1 ILE 41 HD11 ILE 41 1.290 -0.361 0.914 329 2HD1 ILE 41 HD12 ILE 41 -0.140 -1.301 0.485 330 3HD1 ILE 41 HD13 ILE 41 0.737 -1.659 1.971 331 H ILE 42 HN ILE 42 0.996 3.776 4.935 332 HA ILE 42 HA ILE 42 0.464 6.164 3.252 333 HB ILE 42 HB ILE 42 1.870 6.227 5.910 334 1HG1 ILE 42 HG12 ILE 42 -1.090 5.936 5.380 335 2HG1 ILE 42 HG11 ILE 42 -0.083 5.014 6.501 336 1HG2 ILE 42 HG21 ILE 42 1.061 8.127 3.985 337 2HG2 ILE 42 HG22 ILE 42 1.673 8.458 5.601 338 3HG2 ILE 42 HG23 ILE 42 -0.061 8.314 5.325 339 1HD1 ILE 42 HD11 ILE 42 0.324 7.624 7.297 340 2HD1 ILE 42 HD12 ILE 42 -0.766 6.474 8.075 341 3HD1 ILE 42 HD13 ILE 42 -1.386 7.603 6.869 342 H ALA 43 HN ALA 43 2.415 7.554 2.937 343 HA ALA 43 HA ALA 43 5.024 6.315 3.240 344 1HB ALA 43 HB1 ALA 43 3.537 5.582 0.960 345 2HB ALA 43 HB2 ALA 43 5.260 5.323 1.229 346 3HB ALA 43 HB3 ALA 43 4.706 6.776 0.397 347 H ASP 44 HN ASP 44 6.415 7.983 3.437 348 HA ASP 44 HA ASP 44 5.560 10.573 2.251 349 1HB ASP 44 HB2 ASP 44 6.965 11.708 3.841 350 2HB ASP 44 HB1 ASP 44 5.972 10.575 4.746 351 H ASP 45 HN ASP 45 7.845 7.994 2.314 352 HA ASP 45 HA ASP 45 9.998 9.279 0.931 353 1HB ASP 45 HB2 ASP 45 10.480 7.191 1.815 354 2HB ASP 45 HB1 ASP 45 8.973 6.516 1.235 355 HA PRO 46 HA PRO 46 7.955 9.954 -2.930 356 1HB PRO 46 HB2 PRO 46 10.201 10.415 -4.448 357 2HB PRO 46 HB1 PRO 46 9.516 11.604 -3.324 358 1HG PRO 46 HG2 PRO 46 11.964 9.927 -3.029 359 2HG PRO 46 HG1 PRO 46 11.578 11.490 -2.288 360 1HD PRO 46 HD2 PRO 46 11.421 8.966 -1.017 361 2HD PRO 46 HD1 PRO 46 10.740 10.481 -0.407 362 H ALA 47 HN ALA 47 10.289 7.493 -2.421 363 HA ALA 47 HA ALA 47 9.848 6.252 -5.072 364 1HB ALA 47 HB1 ALA 47 11.307 4.445 -3.562 365 2HB ALA 47 HB2 ALA 47 11.822 6.004 -2.919 366 3HB ALA 47 HB3 ALA 47 11.991 5.661 -4.641 367 H THR 48 HN THR 48 8.198 6.299 -2.188 368 HA THR 48 HA THR 48 7.460 3.446 -2.173 369 HB THR 48 HB THR 48 5.770 4.319 -0.421 370 HG1 THR 48 HG1 THR 48 5.891 6.497 -1.073 371 1HG2 THR 48 HG21 THR 48 8.692 4.046 -0.283 372 2HG2 THR 48 HG22 THR 48 7.442 3.337 0.736 373 3HG2 THR 48 HG23 THR 48 7.997 4.978 1.042 374 H THR 49 HN THR 49 5.963 6.567 -2.979 375 HA THR 49 HA THR 49 3.364 5.651 -3.606 376 HB THR 49 HB THR 49 3.025 7.691 -4.644 377 HG1 THR 49 HG1 THR 49 4.081 7.847 -6.437 378 1HG2 THR 49 HG21 THR 49 4.664 7.852 -2.506 379 2HG2 THR 49 HG22 THR 49 4.081 9.270 -3.376 380 3HG2 THR 49 HG23 THR 49 5.684 8.623 -3.719 381 H ARG 50 HN ARG 50 6.368 5.467 -5.411 382 HA ARG 50 HA ARG 50 4.920 4.321 -7.736 383 1HB ARG 50 HB2 ARG 50 7.756 5.216 -7.277 384 2HB ARG 50 HB1 ARG 50 7.291 4.317 -8.721 385 1HG ARG 50 HG2 ARG 50 6.414 6.169 -9.654 386 2HG ARG 50 HG1 ARG 50 5.397 6.444 -8.239 387 1HD ARG 50 HD2 ARG 50 7.668 7.283 -7.169 388 2HD ARG 50 HD1 ARG 50 8.123 7.530 -8.855 389 HE ARG 50 HE ARG 50 5.634 8.725 -8.670 390 1HH1 ARG 50 HH21 ARG 50 8.858 9.405 -8.027 391 2HH1 ARG 50 HH22 ARG 50 8.557 10.851 -7.125 392 1HH2 ARG 50 HH11 ARG 50 5.121 10.397 -7.036 393 2HH2 ARG 50 HH12 ARG 50 6.441 11.412 -6.564 394 H ASP 51 HN ASP 51 7.336 3.310 -5.347 395 HA ASP 51 HA ASP 51 7.622 0.695 -6.623 396 1HB ASP 51 HB2 ASP 51 8.675 1.786 -4.002 397 2HB ASP 51 HB1 ASP 51 9.115 0.216 -4.683 398 H ILE 52 HN ILE 52 6.231 1.780 -3.497 399 HA ILE 52 HA ILE 52 5.551 -0.756 -2.524 400 HB ILE 52 HB ILE 52 4.490 1.981 -2.099 401 1HG1 ILE 52 HG12 ILE 52 5.557 -0.280 -0.412 402 2HG1 ILE 52 HG11 ILE 52 6.325 1.269 -0.761 403 1HG2 ILE 52 HG21 ILE 52 2.393 0.686 -2.270 404 2HG2 ILE 52 HG22 ILE 52 2.700 1.150 -0.598 405 3HG2 ILE 52 HG23 ILE 52 3.028 -0.499 -1.129 406 1HD1 ILE 52 HD11 ILE 52 4.502 0.603 1.367 407 2HD1 ILE 52 HD12 ILE 52 3.794 1.864 0.358 408 3HD1 ILE 52 HD13 ILE 52 5.377 2.109 1.096 409 HA PRO 53 HA PRO 53 1.448 -0.657 -4.857 410 1HB PRO 53 HB2 PRO 53 1.285 1.082 -6.975 411 2HB PRO 53 HB1 PRO 53 0.678 1.418 -5.344 412 1HG PRO 53 HG2 PRO 53 3.105 2.476 -6.711 413 2HG PRO 53 HG1 PRO 53 2.156 3.195 -5.399 414 1HD PRO 53 HD2 PRO 53 4.633 1.874 -5.110 415 2HD PRO 53 HD1 PRO 53 3.513 2.280 -3.790 416 H GLY 54 HN GLY 54 4.072 0.397 -7.056 417 1HA GLY 54 HA2 GLY 54 3.522 -1.357 -9.172 418 2HA GLY 54 HA1 GLY 54 5.169 -0.889 -8.714 419 H PHE 55 HN PHE 55 4.680 -2.032 -5.949 420 HA PHE 55 HA PHE 55 5.547 -4.749 -6.600 421 1HB PHE 55 HB2 PHE 55 6.616 -4.077 -4.668 422 2HB PHE 55 HB1 PHE 55 5.254 -3.100 -4.126 423 HD1 PHE 55 HD1 PHE 55 5.363 -6.704 -5.152 424 HD2 PHE 55 HD2 PHE 55 4.718 -3.887 -1.983 425 HE1 PHE 55 HE1 PHE 55 4.584 -8.535 -3.686 426 HE2 PHE 55 HE2 PHE 55 3.941 -5.725 -0.529 427 HZ PHE 55 HZ PHE 55 3.863 -8.048 -1.376 428 H CYS 56 HN CYS 56 2.707 -3.375 -4.845 429 HA CYS 56 HA CYS 56 1.358 -5.823 -4.468 430 1HB CYS 56 HB2 CYS 56 0.377 -3.011 -4.921 431 2HB CYS 56 HB1 CYS 56 -0.742 -4.344 -4.625 432 HG CYS 56 HG CYS 56 0.583 -4.768 -2.332 433 H THR 57 HN THR 57 1.465 -3.760 -7.339 434 HA THR 57 HA THR 57 -0.551 -5.184 -8.803 435 HB THR 57 HB THR 57 1.846 -3.761 -9.979 436 HG1 THR 57 HG1 THR 57 -0.625 -2.532 -9.512 437 1HG2 THR 57 HG21 THR 57 0.805 -4.452 -11.862 438 2HG2 THR 57 HG22 THR 57 -0.406 -3.228 -11.481 439 3HG2 THR 57 HG23 THR 57 -0.658 -4.901 -10.986 440 H PHE 58 HN PHE 58 2.910 -5.680 -8.383 441 HA PHE 58 HA PHE 58 3.198 -7.670 -10.443 442 1HB PHE 58 HB2 PHE 58 4.987 -6.277 -9.084 443 2HB PHE 58 HB1 PHE 58 4.937 -7.670 -8.005 444 HD1 PHE 58 HD1 PHE 58 6.435 -6.337 -10.911 445 HD2 PHE 58 HD2 PHE 58 5.029 -10.028 -9.225 446 HE1 PHE 58 HE1 PHE 58 7.888 -7.603 -12.472 447 HE2 PHE 58 HE2 PHE 58 6.480 -11.295 -10.788 448 HZ PHE 58 HZ PHE 58 7.910 -10.082 -12.411 449 H MET 59 HN MET 59 2.275 -7.867 -7.021 450 HA MET 59 HA MET 59 2.444 -10.795 -7.084 451 1HB MET 59 HB2 MET 59 1.960 -8.757 -5.027 452 2HB MET 59 HB1 MET 59 1.248 -10.340 -4.743 453 1HG MET 59 HG2 MET 59 3.590 -10.077 -3.828 454 2HG MET 59 HG1 MET 59 3.395 -11.417 -4.955 455 1HE MET 59 HE1 MET 59 6.643 -10.853 -6.532 456 2HE MET 59 HE2 MET 59 5.210 -11.880 -6.563 457 3HE MET 59 HE3 MET 59 5.945 -11.451 -5.020 458 H GLU 60 HN GLU 60 0.261 -8.806 -8.414 459 HA GLU 60 HA GLU 60 -1.844 -9.391 -9.333 460 1HB GLU 60 HB2 GLU 60 -1.037 -11.816 -8.760 461 2HB GLU 60 HB1 GLU 60 -2.131 -11.659 -7.386 462 1HG GLU 60 HG2 GLU 60 -3.742 -12.345 -8.828 463 2HG GLU 60 HG1 GLU 60 -3.669 -10.700 -9.461 464 H HIS 61 HN HIS 61 -1.248 -7.834 -6.779 465 HA HIS 61 HA HIS 61 -3.822 -8.111 -5.350 466 1HB HIS 61 HB2 HIS 61 -1.490 -6.247 -4.791 467 2HB HIS 61 HB1 HIS 61 -2.825 -6.632 -3.711 468 HD1 HIS 61 HD1 HIS 61 -2.396 -9.742 -5.059 469 HD2 HIS 61 HD2 HIS 61 0.058 -7.510 -2.539 470 HE1 HIS 61 HE1 HIS 61 -0.844 -11.387 -3.935 471 H GLU 62 HN GLU 62 -4.796 -5.782 -4.792 472 HA GLU 62 HA GLU 62 -4.720 -4.198 -7.327 473 1HB GLU 62 HB2 GLU 62 -6.976 -5.228 -5.704 474 2HB GLU 62 HB1 GLU 62 -7.172 -3.637 -6.419 475 1HG GLU 62 HG2 GLU 62 -7.276 -4.474 -8.545 476 2HG GLU 62 HG1 GLU 62 -6.047 -5.699 -8.224 477 H LEU 63 HN LEU 63 -4.788 -2.009 -7.169 478 HA LEU 63 HA LEU 63 -4.189 -0.803 -4.533 479 1HB LEU 63 HB2 LEU 63 -2.830 0.234 -6.131 480 2HB LEU 63 HB1 LEU 63 -4.027 0.057 -7.409 481 HG LEU 63 HG LEU 63 -5.417 1.814 -6.201 482 1HD1 LEU 63 HD11 LEU 63 -3.218 3.083 -4.874 483 2HD1 LEU 63 HD12 LEU 63 -3.374 1.442 -4.247 484 3HD1 LEU 63 HD13 LEU 63 -4.748 2.546 -4.182 485 1HD2 LEU 63 HD21 LEU 63 -2.916 3.232 -6.780 486 2HD2 LEU 63 HD22 LEU 63 -4.477 3.332 -7.594 487 3HD2 LEU 63 HD23 LEU 63 -3.344 2.049 -8.017 488 H VAL 64 HN VAL 64 -6.143 -0.720 -3.363 489 HA VAL 64 HA VAL 64 -8.636 -0.409 -4.700 490 HB VAL 64 HB VAL 64 -7.771 -0.297 -1.812 491 1HG1 VAL 64 HG11 VAL 64 -9.785 0.959 -1.906 492 2HG1 VAL 64 HG12 VAL 64 -10.264 -0.679 -1.452 493 3HG1 VAL 64 HG13 VAL 64 -10.478 -0.123 -3.111 494 1HG2 VAL 64 HG21 VAL 64 -8.070 -2.537 -1.857 495 2HG2 VAL 64 HG22 VAL 64 -8.034 -2.389 -3.614 496 3HG2 VAL 64 HG23 VAL 64 -9.577 -2.396 -2.761 497 H ALA 65 HN ALA 65 -6.712 1.937 -2.690 498 HA ALA 65 HA ALA 65 -8.018 4.060 -4.328 499 1HB ALA 65 HB1 ALA 65 -8.155 5.174 -1.799 500 2HB ALA 65 HB2 ALA 65 -8.651 3.503 -1.524 501 3HB ALA 65 HB3 ALA 65 -9.516 4.499 -2.695 502 H LYS 66 HN LYS 66 -6.468 5.647 -4.838 503 HA LYS 66 HA LYS 66 -3.956 5.509 -3.308 504 1HB LYS 66 HB2 LYS 66 -4.320 7.255 -5.678 505 2HB LYS 66 HB1 LYS 66 -2.893 6.359 -5.162 506 1HG LYS 66 HG2 LYS 66 -3.551 4.995 -6.821 507 2HG LYS 66 HG1 LYS 66 -4.569 4.318 -5.582 508 1HD LYS 66 HD2 LYS 66 -6.259 4.717 -7.053 509 2HD LYS 66 HD1 LYS 66 -6.116 6.384 -6.492 510 1HE LYS 66 HE2 LYS 66 -4.217 5.586 -8.621 511 2HE LYS 66 HE1 LYS 66 -5.911 5.676 -9.103 512 1HZ LYS 66 HZ1 LYS 66 -4.236 7.810 -7.918 513 2HZ LYS 66 HZ2 LYS 66 -5.930 7.913 -7.982 514 3HZ LYS 66 HZ3 LYS 66 -5.027 7.814 -9.418 515 H GLU 67 HN GLU 67 -2.926 7.398 -2.664 516 HA GLU 67 HA GLU 67 -4.655 9.774 -2.204 517 1HB GLU 67 HB2 GLU 67 -3.189 8.099 -0.278 518 2HB GLU 67 HB1 GLU 67 -3.151 9.810 0.002 519 1HG GLU 67 HG2 GLU 67 -5.071 8.286 1.034 520 2HG GLU 67 HG1 GLU 67 -5.408 9.919 0.482 521 H THR 68 HN THR 68 -3.650 11.360 -3.364 522 HA THR 68 HA THR 68 -0.709 11.732 -2.974 523 HB THR 68 HB THR 68 -0.287 11.934 -5.285 524 HG1 THR 68 HG1 THR 68 -2.000 12.122 -6.787 525 1HG2 THR 68 HG21 THR 68 -2.472 9.855 -5.332 526 2HG2 THR 68 HG22 THR 68 -0.965 9.587 -4.457 527 3HG2 THR 68 HG23 THR 68 -0.937 9.852 -6.200 528 H ASP 69 HN ASP 69 -3.094 12.993 -1.833 529 HA ASP 69 HA ASP 69 -3.409 15.573 -3.174 530 1HB ASP 69 HB2 ASP 69 -4.253 14.708 -0.403 531 2HB ASP 69 HB1 ASP 69 -4.825 16.145 -1.254 532 H GLY 70 HN GLY 70 -0.887 14.382 -1.625 533 1HA GLY 70 HA2 GLY 70 0.914 16.151 -1.347 534 2HA GLY 70 HA1 GLY 70 -0.196 16.860 -0.203 535 H LEU 71 HN LEU 71 2.427 15.234 -0.284 536 HA LEU 71 HA LEU 71 2.454 12.906 1.083 537 1HB LEU 71 HB2 LEU 71 4.159 15.316 1.733 538 2HB LEU 71 HB1 LEU 71 4.475 13.697 2.321 539 HG LEU 71 HG LEU 71 4.058 13.997 -0.580 540 1HD1 LEU 71 HD11 LEU 71 5.880 15.672 0.730 541 2HD1 LEU 71 HD12 LEU 71 5.874 15.280 -0.990 542 3HD1 LEU 71 HD13 LEU 71 6.856 14.332 0.127 543 1HD2 LEU 71 HD21 LEU 71 5.993 12.310 -0.471 544 2HD2 LEU 71 HD22 LEU 71 4.452 11.791 0.212 545 3HD2 LEU 71 HD23 LEU 71 5.751 12.330 1.277 546 HA PRO 72 HA PRO 72 3.357 11.874 2.514 547 1HB PRO 72 HB2 PRO 72 2.372 9.864 4.070 548 2HB PRO 72 HB1 PRO 72 3.617 10.992 4.644 549 1HG PRO 72 HG2 PRO 72 0.715 10.901 5.288 550 2HG PRO 72 HG1 PRO 72 2.056 11.469 6.299 551 1HD PRO 72 HD2 PRO 72 0.265 13.121 4.871 552 2HD PRO 72 HD1 PRO 72 1.839 13.634 5.523 553 H TYR 73 HN TYR 73 2.777 10.271 1.028 554 HA TYR 73 HA TYR 73 0.164 10.359 -0.148 555 1HB TYR 73 HB2 TYR 73 2.060 8.123 -0.593 556 2HB TYR 73 HB1 TYR 73 0.950 8.857 -1.739 557 HD1 TYR 73 HD1 TYR 73 4.208 8.755 -0.435 558 HD2 TYR 73 HD2 TYR 73 1.438 11.300 -2.451 559 HE1 TYR 73 HE1 TYR 73 6.104 10.099 -1.276 560 HE2 TYR 73 HE2 TYR 73 3.299 12.703 -3.276 561 HH TYR 73 HH TYR 73 6.279 11.818 -3.540 562 H ARG 74 HN ARG 74 -1.162 8.331 -0.503 563 HA ARG 74 HA ARG 74 -0.711 6.219 1.440 564 1HB ARG 74 HB2 ARG 74 -2.972 8.140 1.624 565 2HB ARG 74 HB1 ARG 74 -3.293 6.433 1.947 566 1HG ARG 74 HG2 ARG 74 -1.784 6.328 3.700 567 2HG ARG 74 HG1 ARG 74 -0.950 7.779 3.199 568 1HD ARG 74 HD2 ARG 74 -3.829 8.067 3.897 569 2HD ARG 74 HD1 ARG 74 -2.718 7.771 5.228 570 HE ARG 74 HE ARG 74 -1.807 9.927 4.906 571 1HH1 ARG 74 HH21 ARG 74 -4.220 9.180 2.557 572 2HH1 ARG 74 HH22 ARG 74 -4.001 10.653 1.680 573 1HH2 ARG 74 HH11 ARG 74 -1.363 11.757 3.627 574 2HH2 ARG 74 HH12 ARG 74 -2.394 12.106 2.281 575 H TYR 75 HN TYR 75 -1.917 4.338 0.898 576 HA TYR 75 HA TYR 75 -3.417 4.425 -1.604 577 1HB TYR 75 HB2 TYR 75 -1.207 2.463 -1.601 578 2HB TYR 75 HB1 TYR 75 -1.982 3.282 -2.957 579 HD1 TYR 75 HD1 TYR 75 -1.477 5.812 -3.256 580 HD2 TYR 75 HD2 TYR 75 0.733 3.221 -0.718 581 HE1 TYR 75 HE1 TYR 75 0.439 7.381 -3.369 582 HE2 TYR 75 HE2 TYR 75 2.679 4.779 -0.793 583 HH TYR 75 HH TYR 75 2.519 7.780 -2.717 584 H LEU 76 HN LEU 76 -5.077 2.961 -1.303 585 HA LEU 76 HA LEU 76 -4.717 1.031 0.799 586 1HB LEU 76 HB2 LEU 76 -6.910 2.118 0.619 587 2HB LEU 76 HB1 LEU 76 -7.096 1.484 -1.001 588 HG LEU 76 HG LEU 76 -6.683 -0.815 0.031 589 1HD1 LEU 76 HD11 LEU 76 -5.992 0.525 2.240 590 2HD1 LEU 76 HD12 LEU 76 -6.689 -1.093 2.304 591 3HD1 LEU 76 HD13 LEU 76 -7.710 0.318 2.578 592 1HD2 LEU 76 HD21 LEU 76 -8.963 0.803 -0.266 593 2HD2 LEU 76 HD22 LEU 76 -9.173 -0.134 1.213 594 3HD2 LEU 76 HD23 LEU 76 -8.857 -0.955 -0.316 595 H ILE 77 HN ILE 77 -4.888 -1.334 0.214 596 HA ILE 77 HA ILE 77 -4.842 -1.841 -2.685 597 HB ILE 77 HB ILE 77 -2.739 -2.900 -0.794 598 1HG1 ILE 77 HG12 ILE 77 -2.830 -0.479 -2.578 599 2HG1 ILE 77 HG11 ILE 77 -2.262 -0.603 -0.918 600 1HG2 ILE 77 HG21 ILE 77 -1.880 -4.039 -2.592 601 2HG2 ILE 77 HG22 ILE 77 -2.353 -2.787 -3.741 602 3HG2 ILE 77 HG23 ILE 77 -3.545 -3.951 -3.161 603 1HD1 ILE 77 HD11 ILE 77 -0.283 -1.801 -1.608 604 2HD1 ILE 77 HD12 ILE 77 -0.417 -0.360 -2.615 605 3HD1 ILE 77 HD13 ILE 77 -0.880 -1.934 -3.262 606 H ARG 78 HN ARG 78 -6.575 -3.239 -2.847 607 HA ARG 78 HA ARG 78 -7.247 -5.041 -0.666 608 1HB ARG 78 HB2 ARG 78 -9.048 -4.408 -2.105 609 2HB ARG 78 HB1 ARG 78 -8.142 -4.857 -3.550 610 1HG ARG 78 HG2 ARG 78 -8.152 -7.239 -2.721 611 2HG ARG 78 HG1 ARG 78 -9.246 -6.725 -1.437 612 1HD ARG 78 HD2 ARG 78 -9.735 -6.782 -4.410 613 2HD ARG 78 HD1 ARG 78 -10.707 -7.490 -3.121 614 HE ARG 78 HE ARG 78 -10.537 -4.546 -3.631 615 1HH1 ARG 78 HH21 ARG 78 -12.779 -6.699 -4.319 616 2HH1 ARG 78 HH22 ARG 78 -13.974 -6.213 -3.163 617 1HH2 ARG 78 HH11 ARG 78 -11.794 -4.208 -1.358 618 2HH2 ARG 78 HH12 ARG 78 -13.416 -4.803 -1.486 619 H LYS 79 HN LYS 79 -5.865 -6.680 -0.158 620 HA LYS 79 HA LYS 79 -3.987 -7.835 -2.035 621 1HB LYS 79 HB2 LYS 79 -4.189 -7.782 0.686 622 2HB LYS 79 HB1 LYS 79 -4.726 -9.424 0.341 623 1HG LYS 79 HG2 LYS 79 -2.467 -8.890 -1.315 624 2HG LYS 79 HG1 LYS 79 -2.055 -8.396 0.328 625 1HD LYS 79 HD2 LYS 79 -1.627 -10.587 0.702 626 2HD LYS 79 HD1 LYS 79 -3.379 -10.789 0.730 627 1HE LYS 79 HE2 LYS 79 -2.548 -10.718 -2.002 628 2HE LYS 79 HE1 LYS 79 -1.513 -11.862 -1.149 629 1HZ LYS 79 HZ1 LYS 79 -3.519 -12.926 -1.969 630 2HZ LYS 79 HZ2 LYS 79 -4.483 -11.839 -1.090 631 3HZ LYS 79 HZ3 LYS 79 -3.483 -12.943 -0.273 632 H GLY 80 HN GLY 80 -4.747 -9.018 -3.703 633 1HA GLY 80 HA2 GLY 80 -5.907 -11.529 -3.498 634 2HA GLY 80 HA1 GLY 80 -7.278 -10.430 -3.615 635 H GLY 81 HN GLY 81 -6.660 -12.325 -5.598 636 1HA GLY 81 HA2 GLY 81 -5.588 -10.656 -7.826 637 2HA GLY 81 HA1 GLY 81 -5.673 -12.419 -7.847 Start of MODEL 11 1 1H MET 1 HT1 MET 1 -16.929 12.939 -4.034 2 2H MET 1 HT2 MET 1 -17.862 11.729 -3.292 3 3H MET 1 HT3 MET 1 -17.793 11.834 -4.986 4 HA MET 1 HA MET 1 -16.153 10.364 -4.952 5 1HB MET 1 HB2 MET 1 -14.824 12.685 -3.536 6 2HB MET 1 HB1 MET 1 -13.942 11.236 -4.022 7 1HG MET 1 HG2 MET 1 -15.646 12.423 -6.126 8 2HG MET 1 HG1 MET 1 -14.277 13.416 -5.628 9 1HE MET 1 HE1 MET 1 -15.080 12.307 -8.208 10 2HE MET 1 HE2 MET 1 -15.121 10.546 -8.246 11 3HE MET 1 HE3 MET 1 -13.783 11.405 -9.006 12 H THR 2 HN THR 2 -17.258 8.849 -3.550 13 HA THR 2 HA THR 2 -17.219 8.866 -0.727 14 HB THR 2 HB THR 2 -18.579 7.264 -1.960 15 HG1 THR 2 HG1 THR 2 -16.518 5.978 -0.496 16 1HG2 THR 2 HG21 THR 2 -15.982 6.676 -3.211 17 2HG2 THR 2 HG22 THR 2 -17.613 6.472 -3.851 18 3HG2 THR 2 HG23 THR 2 -16.919 5.240 -2.798 19 H ASP 3 HN ASP 3 -15.850 7.540 0.734 20 HA ASP 3 HA ASP 3 -13.008 7.638 -0.154 21 1HB ASP 3 HB2 ASP 3 -14.409 7.920 2.462 22 2HB ASP 3 HB1 ASP 3 -12.808 7.181 2.485 23 H LEU 4 HN LEU 4 -12.135 5.723 -0.757 24 HA LEU 4 HA LEU 4 -13.418 3.200 0.091 25 1HB LEU 4 HB2 LEU 4 -11.203 3.853 -1.868 26 2HB LEU 4 HB1 LEU 4 -11.667 2.199 -1.470 27 HG LEU 4 HG LEU 4 -13.708 4.231 -2.373 28 1HD1 LEU 4 HD11 LEU 4 -12.185 4.209 -4.200 29 2HD1 LEU 4 HD12 LEU 4 -13.439 3.049 -4.638 30 3HD1 LEU 4 HD13 LEU 4 -11.886 2.479 -4.030 31 1HD2 LEU 4 HD21 LEU 4 -14.016 1.766 -1.287 32 2HD2 LEU 4 HD22 LEU 4 -13.876 1.330 -2.990 33 3HD2 LEU 4 HD23 LEU 4 -15.140 2.443 -2.466 34 H PHE 5 HN PHE 5 -11.154 5.222 1.389 35 HA PHE 5 HA PHE 5 -9.256 3.177 2.299 36 1HB PHE 5 HB2 PHE 5 -9.515 6.140 2.545 37 2HB PHE 5 HB1 PHE 5 -8.589 5.295 3.785 38 HD1 PHE 5 HD1 PHE 5 -6.603 6.611 2.867 39 HD2 PHE 5 HD2 PHE 5 -8.690 3.654 0.566 40 HE1 PHE 5 HE1 PHE 5 -4.696 6.425 1.307 41 HE2 PHE 5 HE2 PHE 5 -6.741 3.493 -0.959 42 HZ PHE 5 HZ PHE 5 -4.752 4.929 -0.614 43 H SER 6 HN SER 6 -12.278 3.378 3.065 44 HA SER 6 HA SER 6 -12.704 3.983 5.735 45 1HB SER 6 HB2 SER 6 -13.676 1.551 4.210 46 2HB SER 6 HB1 SER 6 -14.317 2.059 5.769 47 HG SER 6 HG SER 6 -15.559 3.291 4.604 48 H SER 7 HN SER 7 -12.947 2.189 7.549 49 HA SER 7 HA SER 7 -10.439 1.444 8.475 50 1HB SER 7 HB2 SER 7 -11.676 -0.383 9.762 51 2HB SER 7 HB1 SER 7 -12.296 1.252 9.963 52 HG SER 7 HG SER 7 -13.386 -0.946 8.655 53 HA PRO 8 HA PRO 8 -9.615 -1.627 5.263 54 1HB PRO 8 HB2 PRO 8 -6.895 -1.549 5.616 55 2HB PRO 8 HB1 PRO 8 -7.787 -0.389 4.621 56 1HG PRO 8 HG2 PRO 8 -6.614 -0.012 7.342 57 2HG PRO 8 HG1 PRO 8 -6.890 1.181 6.063 58 1HD PRO 8 HD2 PRO 8 -8.508 0.826 8.339 59 2HD PRO 8 HD1 PRO 8 -8.966 1.717 6.874 60 H ASP 9 HN ASP 9 -8.163 -3.702 5.417 61 HA ASP 9 HA ASP 9 -8.766 -4.982 8.006 62 1HB ASP 9 HB2 ASP 9 -7.659 -6.049 5.392 63 2HB ASP 9 HB1 ASP 9 -7.929 -7.048 6.820 64 H HIS 10 HN HIS 10 -6.058 -3.662 6.281 65 HA HIS 10 HA HIS 10 -4.303 -4.335 8.583 66 1HB HIS 10 HB2 HIS 10 -3.881 -5.087 5.699 67 2HB HIS 10 HB1 HIS 10 -2.497 -4.779 6.742 68 HD1 HIS 10 HD1 HIS 10 -1.693 -6.792 7.985 69 HD2 HIS 10 HD2 HIS 10 -5.745 -7.080 7.050 70 HE1 HIS 10 HE1 HIS 10 -2.460 -9.059 8.814 71 H THR 11 HN THR 11 -2.108 -3.041 8.223 72 HA THR 11 HA THR 11 -2.565 -0.551 6.680 73 HB THR 11 HB THR 11 -1.787 -0.553 9.593 74 HG1 THR 11 HG1 THR 11 -4.189 0.500 8.634 75 1HG2 THR 11 HG21 THR 11 -2.510 1.946 9.168 76 2HG2 THR 11 HG22 THR 11 -2.164 1.546 7.486 77 3HG2 THR 11 HG23 THR 11 -0.896 1.406 8.703 78 H LEU 12 HN LEU 12 -0.561 0.701 6.451 79 HA LEU 12 HA LEU 12 1.959 -0.659 7.229 80 1HB LEU 12 HB2 LEU 12 1.622 -1.667 5.078 81 2HB LEU 12 HB1 LEU 12 1.098 -0.137 4.381 82 HG LEU 12 HG LEU 12 3.328 0.772 4.381 83 1HD1 LEU 12 HD11 LEU 12 5.170 -0.670 5.532 84 2HD1 LEU 12 HD12 LEU 12 3.834 -1.404 6.419 85 3HD1 LEU 12 HD13 LEU 12 4.136 0.327 6.549 86 1HD2 LEU 12 HD21 LEU 12 3.275 -2.175 3.711 87 2HD2 LEU 12 HD22 LEU 12 4.741 -1.218 3.499 88 3HD2 LEU 12 HD23 LEU 12 3.276 -0.791 2.619 89 H ASP 13 HN ASP 13 3.046 1.035 8.190 90 HA ASP 13 HA ASP 13 2.624 3.781 7.203 91 1HB ASP 13 HB2 ASP 13 3.037 3.142 9.667 92 2HB ASP 13 HB1 ASP 13 4.715 2.866 9.198 93 H ALA 14 HN ALA 14 4.179 4.892 5.870 94 HA ALA 14 HA ALA 14 6.695 3.427 5.345 95 1HB ALA 14 HB1 ALA 14 5.421 4.350 2.868 96 2HB ALA 14 HB2 ALA 14 4.603 3.004 3.663 97 3HB ALA 14 HB3 ALA 14 6.300 2.859 3.207 98 H LEU 15 HN LEU 15 5.589 5.873 6.536 99 HA LEU 15 HA LEU 15 6.772 8.093 5.081 100 1HB LEU 15 HB2 LEU 15 5.965 8.237 7.944 101 2HB LEU 15 HB1 LEU 15 5.768 9.400 6.644 102 HG LEU 15 HG LEU 15 4.161 6.888 7.086 103 1HD1 LEU 15 HD11 LEU 15 3.233 9.743 6.754 104 2HD1 LEU 15 HD12 LEU 15 3.579 9.028 8.329 105 3HD1 LEU 15 HD13 LEU 15 2.295 8.361 7.319 106 1HD2 LEU 15 HD21 LEU 15 4.075 6.794 4.824 107 2HD2 LEU 15 HD22 LEU 15 4.773 8.403 4.651 108 3HD2 LEU 15 HD23 LEU 15 3.048 8.222 4.940 109 H GLY 16 HN GLY 16 8.891 7.912 5.019 110 1HA GLY 16 HA2 GLY 16 11.046 8.314 6.117 111 2HA GLY 16 HA1 GLY 16 10.392 7.533 7.567 112 H LEU 17 HN LEU 17 9.194 5.815 5.053 113 HA LEU 17 HA LEU 17 11.258 3.710 5.278 114 1HB LEU 17 HB2 LEU 17 8.434 3.701 4.170 115 2HB LEU 17 HB1 LEU 17 9.514 2.312 4.144 116 HG LEU 17 HG LEU 17 8.119 3.591 6.452 117 1HD1 LEU 17 HD11 LEU 17 8.799 0.783 5.531 118 2HD1 LEU 17 HD12 LEU 17 7.217 1.560 5.474 119 3HD1 LEU 17 HD13 LEU 17 7.936 1.136 7.028 120 1HD2 LEU 17 HD21 LEU 17 10.792 2.196 6.529 121 2HD2 LEU 17 HD22 LEU 17 9.719 2.266 7.927 122 3HD2 LEU 17 HD23 LEU 17 10.363 3.754 7.232 123 H ARG 18 HN ARG 18 12.131 2.847 3.329 124 HA ARG 18 HA ARG 18 11.324 4.280 0.873 125 1HB ARG 18 HB2 ARG 18 13.838 4.556 0.343 126 2HB ARG 18 HB1 ARG 18 13.053 5.678 1.456 127 1HG ARG 18 HG2 ARG 18 13.823 4.050 3.322 128 2HG ARG 18 HG1 ARG 18 14.922 3.403 2.103 129 1HD ARG 18 HD2 ARG 18 15.517 5.950 1.734 130 2HD ARG 18 HD1 ARG 18 14.888 6.119 3.372 131 HE ARG 18 HE ARG 18 17.115 4.234 2.703 132 1HH1 ARG 18 HH21 ARG 18 17.375 7.200 3.710 133 2HH1 ARG 18 HH22 ARG 18 17.774 6.902 5.369 134 1HH2 ARG 18 HH11 ARG 18 16.837 3.564 5.271 135 2HH2 ARG 18 HH12 ARG 18 17.468 4.844 6.253 136 H CYS 19 HN CYS 19 11.755 3.111 -1.003 137 HA CYS 19 HA CYS 19 11.550 0.331 -0.885 138 1HB CYS 19 HB2 CYS 19 11.183 1.390 -2.973 139 2HB CYS 19 HB1 CYS 19 12.801 2.082 -3.002 140 HG CYS 19 HG CYS 19 12.296 -0.368 -4.364 141 HA PRO 20 HA PRO 20 11.949 -1.464 -1.551 142 1HB PRO 20 HB2 PRO 20 12.769 -3.878 -0.574 143 2HB PRO 20 HB1 PRO 20 13.330 -3.233 -2.127 144 1HG PRO 20 HG2 PRO 20 14.801 -3.456 0.451 145 2HG PRO 20 HG1 PRO 20 15.439 -3.383 -1.196 146 1HD PRO 20 HD2 PRO 20 15.330 -1.250 0.695 147 2HD PRO 20 HD1 PRO 20 15.802 -1.138 -1.014 148 H GLU 21 HN GLU 21 13.005 -0.533 1.456 149 HA GLU 21 HA GLU 21 11.887 -2.252 3.326 150 1HB GLU 21 HB2 GLU 21 12.256 0.689 3.376 151 2HB GLU 21 HB1 GLU 21 11.583 -0.152 4.762 152 1HG GLU 21 HG2 GLU 21 13.563 -1.576 4.898 153 2HG GLU 21 HG1 GLU 21 14.231 -0.829 3.446 154 HA PRO 22 HA PRO 22 7.705 0.003 3.274 155 1HB PRO 22 HB2 PRO 22 7.131 1.325 0.925 156 2HB PRO 22 HB1 PRO 22 7.801 2.108 2.354 157 1HG PRO 22 HG2 PRO 22 9.162 1.348 -0.186 158 2HG PRO 22 HG1 PRO 22 9.541 2.664 0.939 159 1HD PRO 22 HD2 PRO 22 10.930 0.252 0.785 160 2HD PRO 22 HD1 PRO 22 10.967 1.339 2.179 161 H VAL 23 HN VAL 23 8.462 -0.512 -0.145 162 HA VAL 23 HA VAL 23 6.313 -2.158 -0.861 163 HB VAL 23 HB VAL 23 9.235 -2.365 -1.632 164 1HG1 VAL 23 HG11 VAL 23 8.174 -3.473 -3.722 165 2HG1 VAL 23 HG12 VAL 23 6.762 -3.725 -2.697 166 3HG1 VAL 23 HG13 VAL 23 8.309 -4.448 -2.259 167 1HG2 VAL 23 HG21 VAL 23 8.799 -0.801 -3.270 168 2HG2 VAL 23 HG22 VAL 23 7.591 -0.284 -2.095 169 3HG2 VAL 23 HG23 VAL 23 7.121 -1.307 -3.452 170 H MET 24 HN MET 24 9.078 -2.811 1.192 171 HA MET 24 HA MET 24 8.816 -5.710 1.132 172 1HB MET 24 HB2 MET 24 10.325 -3.721 2.786 173 2HB MET 24 HB1 MET 24 10.165 -5.372 3.383 174 1HG MET 24 HG2 MET 24 11.284 -6.283 1.511 175 2HG MET 24 HG1 MET 24 11.070 -4.812 0.560 176 1HE MET 24 HE1 MET 24 12.172 -6.267 3.707 177 2HE MET 24 HE2 MET 24 13.587 -5.388 4.281 178 3HE MET 24 HE3 MET 24 13.769 -6.619 3.034 179 H MET 25 HN MET 25 7.717 -3.158 3.369 180 HA MET 25 HA MET 25 6.591 -4.885 5.325 181 1HB MET 25 HB2 MET 25 6.147 -2.047 4.488 182 2HB MET 25 HB1 MET 25 4.934 -2.798 5.525 183 1HG MET 25 HG2 MET 25 6.807 -1.598 6.757 184 2HG MET 25 HG1 MET 25 6.556 -3.277 7.228 185 1HE MET 25 HE1 MET 25 10.371 -1.730 6.956 186 2HE MET 25 HE2 MET 25 9.466 -2.613 8.182 187 3HE MET 25 HE3 MET 25 8.787 -1.144 7.483 188 H VAL 26 HN VAL 26 5.194 -3.499 2.358 189 HA VAL 26 HA VAL 26 2.593 -4.684 2.733 190 HB VAL 26 HB VAL 26 4.083 -3.905 0.212 191 1HG1 VAL 26 HG11 VAL 26 2.357 -4.700 -1.025 192 2HG1 VAL 26 HG12 VAL 26 1.170 -3.963 0.046 193 3HG1 VAL 26 HG13 VAL 26 1.822 -5.556 0.418 194 1HG2 VAL 26 HG21 VAL 26 3.611 -1.869 1.143 195 2HG2 VAL 26 HG22 VAL 26 2.335 -2.527 2.167 196 3HG2 VAL 26 HG23 VAL 26 2.010 -2.177 0.471 197 H ARG 27 HN ARG 27 5.663 -5.887 1.614 198 HA ARG 27 HA ARG 27 4.709 -8.224 0.238 199 1HB ARG 27 HB2 ARG 27 7.282 -7.213 1.152 200 2HB ARG 27 HB1 ARG 27 7.126 -8.955 1.436 201 1HG ARG 27 HG2 ARG 27 6.193 -7.954 -1.200 202 2HG ARG 27 HG1 ARG 27 7.932 -7.938 -0.928 203 1HD ARG 27 HD2 ARG 27 7.956 -10.295 -0.439 204 2HD ARG 27 HD1 ARG 27 6.194 -10.361 -0.408 205 HE ARG 27 HE ARG 27 6.737 -9.466 -2.958 206 1HH1 ARG 27 HH21 ARG 27 5.650 -12.204 -2.474 207 2HH1 ARG 27 HH22 ARG 27 6.878 -13.216 -3.158 208 1HH2 ARG 27 HH11 ARG 27 9.277 -10.712 -3.217 209 2HH2 ARG 27 HH12 ARG 27 8.932 -12.371 -3.579 210 H LYS 28 HN LYS 28 6.177 -7.964 3.450 211 HA LYS 28 HA LYS 28 5.464 -10.588 4.316 212 1HB LYS 28 HB2 LYS 28 5.748 -9.539 6.663 213 2HB LYS 28 HB1 LYS 28 7.145 -9.507 5.588 214 1HG LYS 28 HG2 LYS 28 7.200 -7.266 5.731 215 2HG LYS 28 HG1 LYS 28 5.579 -7.188 5.040 216 1HD LYS 28 HD2 LYS 28 4.757 -6.532 7.025 217 2HD LYS 28 HD1 LYS 28 5.336 -8.028 7.760 218 1HE LYS 28 HE2 LYS 28 7.352 -5.891 7.238 219 2HE LYS 28 HE1 LYS 28 6.218 -5.629 8.564 220 1HZ LYS 28 HZ1 LYS 28 6.850 -8.042 9.180 221 2HZ LYS 28 HZ2 LYS 28 7.910 -6.777 9.583 222 3HZ LYS 28 HZ3 LYS 28 8.225 -7.756 8.230 223 H THR 29 HN THR 29 3.808 -7.509 4.538 224 HA THR 29 HA THR 29 1.609 -8.380 6.181 225 HB THR 29 HB THR 29 2.283 -6.108 4.387 226 HG1 THR 29 HG1 THR 29 2.540 -5.279 6.273 227 1HG2 THR 29 HG21 THR 29 -0.222 -5.372 5.230 228 2HG2 THR 29 HG22 THR 29 -0.458 -7.061 4.787 229 3HG2 THR 29 HG23 THR 29 0.176 -5.920 3.602 230 H VAL 30 HN VAL 30 2.408 -8.359 2.809 231 HA VAL 30 HA VAL 30 -0.158 -9.206 1.771 232 HB VAL 30 HB VAL 30 2.684 -9.054 0.792 233 1HG1 VAL 30 HG11 VAL 30 2.080 -11.175 -0.092 234 2HG1 VAL 30 HG12 VAL 30 1.872 -10.013 -1.403 235 3HG1 VAL 30 HG13 VAL 30 0.465 -10.611 -0.521 236 1HG2 VAL 30 HG21 VAL 30 0.302 -8.157 -0.776 237 2HG2 VAL 30 HG22 VAL 30 1.895 -7.414 -0.633 238 3HG2 VAL 30 HG23 VAL 30 0.724 -7.248 0.675 239 H ARG 31 HN ARG 31 2.671 -10.668 3.140 240 HA ARG 31 HA ARG 31 2.070 -13.413 2.417 241 1HB ARG 31 HB2 ARG 31 3.824 -12.274 4.620 242 2HB ARG 31 HB1 ARG 31 3.807 -13.962 4.112 243 1HG ARG 31 HG2 ARG 31 4.405 -13.134 1.769 244 2HG ARG 31 HG1 ARG 31 4.694 -11.564 2.498 245 1HD ARG 31 HD2 ARG 31 6.821 -12.461 2.601 246 2HD ARG 31 HD1 ARG 31 6.185 -12.944 4.175 247 HE ARG 31 HE ARG 31 6.689 -14.735 1.887 248 1HH1 ARG 31 HH11 ARG 31 7.649 -15.428 4.589 249 2HH1 ARG 31 HH12 ARG 31 6.462 -16.561 5.145 250 1HH2 ARG 31 HH21 ARG 31 4.110 -15.674 2.757 251 2HH2 ARG 31 HH22 ARG 31 4.460 -16.702 4.106 252 H ASN 32 HN ASN 32 1.282 -11.209 5.050 253 HA ASN 32 HA ASN 32 -0.091 -13.449 6.472 254 1HB ASN 32 HB2 ASN 32 -0.215 -11.978 8.393 255 2HB ASN 32 HB1 ASN 32 1.437 -11.952 7.782 256 1HD2 ASN 32 HD21 ASN 32 1.814 -9.796 8.669 257 2HD2 ASN 32 HD22 ASN 32 1.106 -8.419 7.974 258 H MET 33 HN MET 33 -0.859 -11.549 4.021 259 HA MET 33 HA MET 33 -3.523 -10.731 5.060 260 1HB MET 33 HB2 MET 33 -1.819 -9.896 2.756 261 2HB MET 33 HB1 MET 33 -3.568 -9.810 2.546 262 1HG MET 33 HG2 MET 33 -3.415 -8.679 4.960 263 2HG MET 33 HG1 MET 33 -1.804 -8.268 4.392 264 1HE MET 33 HE1 MET 33 -5.595 -7.568 1.981 265 2HE MET 33 HE2 MET 33 -5.790 -7.468 3.727 266 3HE MET 33 HE3 MET 33 -5.144 -8.938 3.003 267 H GLN 34 HN GLN 34 -5.243 -10.971 3.173 268 HA GLN 34 HA GLN 34 -4.996 -13.644 1.889 269 1HB GLN 34 HB2 GLN 34 -7.267 -12.700 3.667 270 2HB GLN 34 HB1 GLN 34 -7.367 -14.116 2.617 271 1HG GLN 34 HG2 GLN 34 -5.325 -15.026 3.782 272 2HG GLN 34 HG1 GLN 34 -5.451 -13.687 4.923 273 1HE2 GLN 34 HE21 GLN 34 -6.812 -16.783 4.019 274 2HE2 GLN 34 HE22 GLN 34 -7.966 -16.858 5.262 275 HA PRO 35 HA PRO 35 -6.757 -11.486 -1.475 276 1HB PRO 35 HB2 PRO 35 -8.045 -13.565 -2.757 277 2HB PRO 35 HB1 PRO 35 -6.296 -13.287 -2.818 278 1HG PRO 35 HG2 PRO 35 -7.826 -15.321 -1.243 279 2HG PRO 35 HG1 PRO 35 -6.181 -15.415 -1.896 280 1HD PRO 35 HD2 PRO 35 -6.810 -14.895 0.788 281 2HD PRO 35 HD1 PRO 35 -5.251 -14.526 0.017 282 H GLY 36 HN GLY 36 -8.434 -10.161 -1.298 283 1HA GLY 36 HA2 GLY 36 -10.875 -9.820 -1.515 284 2HA GLY 36 HA1 GLY 36 -11.088 -11.226 -0.462 285 H GLU 37 HN GLU 37 -8.428 -9.202 0.307 286 HA GLU 37 HA GLU 37 -10.011 -7.973 2.531 287 1HB GLU 37 HB2 GLU 37 -7.380 -9.382 2.484 288 2HB GLU 37 HB1 GLU 37 -7.559 -8.017 3.581 289 1HG GLU 37 HG2 GLU 37 -9.916 -9.649 3.740 290 2HG GLU 37 HG1 GLU 37 -8.493 -10.670 3.957 291 H THR 38 HN THR 38 -8.340 -6.114 3.497 292 HA THR 38 HA THR 38 -7.307 -4.595 1.153 293 HB THR 38 HB THR 38 -8.346 -2.551 2.518 294 HG1 THR 38 HG1 THR 38 -9.500 -3.386 4.070 295 1HG2 THR 38 HG21 THR 38 -10.445 -2.919 1.062 296 2HG2 THR 38 HG22 THR 38 -9.654 -4.403 0.529 297 3HG2 THR 38 HG23 THR 38 -8.889 -2.840 0.236 298 H LEU 39 HN LEU 39 -5.790 -2.918 1.711 299 HA LEU 39 HA LEU 39 -4.680 -2.980 4.476 300 1HB LEU 39 HB2 LEU 39 -3.333 -4.633 3.369 301 2HB LEU 39 HB1 LEU 39 -3.191 -3.643 1.919 302 HG LEU 39 HG LEU 39 -2.122 -1.914 3.664 303 1HD1 LEU 39 HD11 LEU 39 -1.994 -4.604 4.955 304 2HD1 LEU 39 HD12 LEU 39 -2.183 -3.015 5.694 305 3HD1 LEU 39 HD13 LEU 39 -0.602 -3.532 5.108 306 1HD2 LEU 39 HD21 LEU 39 0.025 -2.619 2.882 307 2HD2 LEU 39 HD22 LEU 39 -1.112 -3.031 1.598 308 3HD2 LEU 39 HD23 LEU 39 -0.518 -4.285 2.687 309 H LEU 40 HN LEU 40 -4.624 -0.809 5.021 310 HA LEU 40 HA LEU 40 -4.411 1.215 2.889 311 1HB LEU 40 HB2 LEU 40 -5.996 1.799 4.573 312 2HB LEU 40 HB1 LEU 40 -4.891 1.359 5.875 313 HG LEU 40 HG LEU 40 -3.365 3.215 5.086 314 1HD1 LEU 40 HD11 LEU 40 -4.802 4.989 3.753 315 2HD1 LEU 40 HD12 LEU 40 -5.684 3.561 3.213 316 3HD1 LEU 40 HD13 LEU 40 -3.958 3.706 2.887 317 1HD2 LEU 40 HD21 LEU 40 -5.305 5.009 5.751 318 2HD2 LEU 40 HD22 LEU 40 -4.470 3.997 6.930 319 3HD2 LEU 40 HD23 LEU 40 -6.049 3.511 6.312 320 H ILE 41 HN ILE 41 -2.573 2.502 2.612 321 HA ILE 41 HA ILE 41 -0.270 1.933 4.422 322 HB ILE 41 HB ILE 41 0.014 2.124 1.423 323 1HG1 ILE 41 HG12 ILE 41 -0.820 -0.224 3.127 324 2HG1 ILE 41 HG11 ILE 41 -1.431 0.283 1.561 325 1HG2 ILE 41 HG21 ILE 41 1.850 0.378 2.815 326 2HG2 ILE 41 HG22 ILE 41 1.802 1.946 3.612 327 3HG2 ILE 41 HG23 ILE 41 2.195 1.841 1.899 328 1HD1 ILE 41 HD11 ILE 41 1.004 -0.238 0.734 329 2HD1 ILE 41 HD12 ILE 41 -0.144 -1.558 0.964 330 3HD1 ILE 41 HD13 ILE 41 1.074 -1.225 2.193 331 H ILE 42 HN ILE 42 1.327 3.635 4.472 332 HA ILE 42 HA ILE 42 0.522 6.135 3.093 333 HB ILE 42 HB ILE 42 1.910 6.255 5.742 334 1HG1 ILE 42 HG12 ILE 42 -0.977 5.555 5.257 335 2HG1 ILE 42 HG11 ILE 42 0.132 4.920 6.478 336 1HG2 ILE 42 HG21 ILE 42 1.334 8.461 5.607 337 2HG2 ILE 42 HG22 ILE 42 -0.280 8.097 5.001 338 3HG2 ILE 42 HG23 ILE 42 1.090 8.113 3.897 339 1HD1 ILE 42 HD11 ILE 42 -0.994 6.362 7.838 340 2HD1 ILE 42 HD12 ILE 42 -1.487 7.398 6.498 341 3HD1 ILE 42 HD13 ILE 42 0.142 7.528 7.160 342 H ALA 43 HN ALA 43 2.469 7.538 2.849 343 HA ALA 43 HA ALA 43 5.070 6.303 3.208 344 1HB ALA 43 HB1 ALA 43 5.340 5.279 1.222 345 2HB ALA 43 HB2 ALA 43 4.856 6.740 0.361 346 3HB ALA 43 HB3 ALA 43 3.635 5.579 0.883 347 H ASP 44 HN ASP 44 6.496 7.932 3.374 348 HA ASP 44 HA ASP 44 5.674 10.534 2.197 349 1HB ASP 44 HB2 ASP 44 7.045 11.655 3.803 350 2HB ASP 44 HB1 ASP 44 6.096 10.488 4.706 351 H ASP 45 HN ASP 45 7.917 7.918 2.260 352 HA ASP 45 HA ASP 45 10.083 9.165 0.865 353 1HB ASP 45 HB2 ASP 45 10.561 7.084 1.725 354 2HB ASP 45 HB1 ASP 45 9.022 6.424 1.213 355 HA PRO 46 HA PRO 46 8.022 9.884 -2.977 356 1HB PRO 46 HB2 PRO 46 10.263 10.340 -4.499 357 2HB PRO 46 HB1 PRO 46 9.594 11.525 -3.363 358 1HG PRO 46 HG2 PRO 46 12.029 9.829 -3.092 359 2HG PRO 46 HG1 PRO 46 11.658 11.387 -2.336 360 1HD PRO 46 HD2 PRO 46 11.487 8.851 -1.088 361 2HD PRO 46 HD1 PRO 46 10.822 10.366 -0.460 362 H ALA 47 HN ALA 47 10.324 7.397 -2.487 363 HA ALA 47 HA ALA 47 9.881 6.185 -5.152 364 1HB ALA 47 HB1 ALA 47 11.763 5.748 -2.891 365 2HB ALA 47 HB2 ALA 47 12.065 5.721 -4.628 366 3HB ALA 47 HB3 ALA 47 11.333 4.324 -3.840 367 H THR 48 HN THR 48 8.221 6.218 -2.269 368 HA THR 48 HA THR 48 7.448 3.373 -2.322 369 HB THR 48 HB THR 48 5.793 4.251 -0.512 370 HG1 THR 48 HG1 THR 48 7.538 6.320 -0.069 371 1HG2 THR 48 HG21 THR 48 8.467 4.792 0.535 372 2HG2 THR 48 HG22 THR 48 8.404 3.334 -0.451 373 3HG2 THR 48 HG23 THR 48 7.342 3.500 0.947 374 H THR 49 HN THR 49 6.043 6.532 -3.122 375 HA THR 49 HA THR 49 3.400 5.649 -3.700 376 HB THR 49 HB THR 49 3.069 7.712 -4.692 377 HG1 THR 49 HG1 THR 49 4.220 8.311 -6.347 378 1HG2 THR 49 HG21 THR 49 4.173 9.269 -3.426 379 2HG2 THR 49 HG22 THR 49 5.758 8.568 -3.758 380 3HG2 THR 49 HG23 THR 49 4.697 7.823 -2.562 381 H ARG 50 HN ARG 50 6.394 5.457 -5.494 382 HA ARG 50 HA ARG 50 4.958 4.372 -7.856 383 1HB ARG 50 HB2 ARG 50 7.789 5.236 -7.329 384 2HB ARG 50 HB1 ARG 50 7.365 4.332 -8.783 385 1HG ARG 50 HG2 ARG 50 5.883 6.035 -9.540 386 2HG ARG 50 HG1 ARG 50 5.882 6.837 -7.968 387 1HD ARG 50 HD2 ARG 50 7.586 8.127 -8.667 388 2HD ARG 50 HD1 ARG 50 8.590 6.681 -8.787 389 HE ARG 50 HE ARG 50 6.847 7.139 -11.103 390 1HH1 ARG 50 HH21 ARG 50 8.676 9.523 -10.816 391 2HH1 ARG 50 HH22 ARG 50 10.053 9.024 -11.743 392 1HH2 ARG 50 HH11 ARG 50 9.149 5.676 -11.775 393 2HH2 ARG 50 HH12 ARG 50 10.319 6.845 -12.286 394 H ASP 51 HN ASP 51 7.289 3.290 -5.422 395 HA ASP 51 HA ASP 51 7.502 0.667 -6.736 396 1HB ASP 51 HB2 ASP 51 8.699 1.722 -4.160 397 2HB ASP 51 HB1 ASP 51 9.087 0.161 -4.890 398 H ILE 52 HN ILE 52 6.231 1.841 -3.599 399 HA ILE 52 HA ILE 52 5.555 -0.674 -2.546 400 HB ILE 52 HB ILE 52 4.536 2.087 -2.140 401 1HG1 ILE 52 HG12 ILE 52 5.643 -0.138 -0.429 402 2HG1 ILE 52 HG11 ILE 52 6.416 1.391 -0.849 403 1HG2 ILE 52 HG21 ILE 52 2.762 1.357 -0.625 404 2HG2 ILE 52 HG22 ILE 52 3.118 -0.333 -0.983 405 3HG2 ILE 52 HG23 ILE 52 2.449 0.712 -2.236 406 1HD1 ILE 52 HD11 ILE 52 3.929 2.055 0.321 407 2HD1 ILE 52 HD12 ILE 52 5.534 2.300 1.007 408 3HD1 ILE 52 HD13 ILE 52 4.646 0.815 1.349 409 HA PRO 53 HA PRO 53 1.364 -0.518 -4.724 410 1HB PRO 53 HB2 PRO 53 1.128 1.253 -6.807 411 2HB PRO 53 HB1 PRO 53 0.597 1.573 -5.146 412 1HG PRO 53 HG2 PRO 53 2.988 2.609 -6.603 413 2HG PRO 53 HG1 PRO 53 2.093 3.342 -5.260 414 1HD PRO 53 HD2 PRO 53 4.557 2.002 -5.045 415 2HD PRO 53 HD1 PRO 53 3.471 2.384 -3.690 416 H GLY 54 HN GLY 54 3.903 0.554 -7.014 417 1HA GLY 54 HA2 GLY 54 3.250 -1.177 -9.125 418 2HA GLY 54 HA1 GLY 54 4.916 -0.711 -8.739 419 H PHE 55 HN PHE 55 4.531 -1.877 -5.960 420 HA PHE 55 HA PHE 55 5.400 -4.575 -6.656 421 1HB PHE 55 HB2 PHE 55 6.513 -3.904 -4.748 422 2HB PHE 55 HB1 PHE 55 5.154 -2.949 -4.164 423 HD1 PHE 55 HD1 PHE 55 5.202 -6.540 -5.230 424 HD2 PHE 55 HD2 PHE 55 4.767 -3.763 -1.991 425 HE1 PHE 55 HE1 PHE 55 4.497 -8.383 -3.748 426 HE2 PHE 55 HE2 PHE 55 4.062 -5.616 -0.520 427 HZ PHE 55 HZ PHE 55 3.919 -7.924 -1.390 428 H CYS 56 HN CYS 56 2.602 -3.265 -4.779 429 HA CYS 56 HA CYS 56 1.291 -5.739 -4.421 430 1HB CYS 56 HB2 CYS 56 0.302 -2.915 -4.708 431 2HB CYS 56 HB1 CYS 56 -0.833 -4.250 -4.490 432 HG CYS 56 HG CYS 56 0.867 -4.796 -2.313 433 H THR 57 HN THR 57 1.265 -3.593 -7.230 434 HA THR 57 HA THR 57 -0.815 -5.015 -8.631 435 HB THR 57 HB THR 57 1.463 -3.408 -9.811 436 HG1 THR 57 HG1 THR 57 -0.252 -1.750 -9.728 437 1HG2 THR 57 HG21 THR 57 -1.250 -3.411 -10.991 438 2HG2 THR 57 HG22 THR 57 -0.375 -4.938 -11.105 439 3HG2 THR 57 HG23 THR 57 0.324 -3.468 -11.785 440 H PHE 58 HN PHE 58 2.664 -5.440 -8.377 441 HA PHE 58 HA PHE 58 2.858 -7.315 -10.578 442 1HB PHE 58 HB2 PHE 58 4.694 -5.858 -9.316 443 2HB PHE 58 HB1 PHE 58 4.856 -7.333 -8.361 444 HD1 PHE 58 HD1 PHE 58 5.955 -5.675 -11.261 445 HD2 PHE 58 HD2 PHE 58 4.894 -9.578 -9.816 446 HE1 PHE 58 HE1 PHE 58 7.273 -6.710 -13.089 447 HE2 PHE 58 HE2 PHE 58 6.213 -10.613 -11.644 448 HZ PHE 58 HZ PHE 58 7.402 -9.179 -13.280 449 H MET 59 HN MET 59 2.190 -7.681 -7.118 450 HA MET 59 HA MET 59 2.601 -10.584 -7.293 451 1HB MET 59 HB2 MET 59 2.082 -8.668 -5.127 452 2HB MET 59 HB1 MET 59 1.516 -10.311 -4.868 453 1HG MET 59 HG2 MET 59 4.344 -9.501 -5.614 454 2HG MET 59 HG1 MET 59 3.812 -10.042 -4.022 455 1HE MET 59 HE1 MET 59 6.073 -12.124 -6.520 456 2HE MET 59 HE2 MET 59 5.434 -10.510 -6.821 457 3HE MET 59 HE3 MET 59 4.853 -11.872 -7.776 458 H GLU 60 HN GLU 60 0.179 -8.710 -8.365 459 HA GLU 60 HA GLU 60 -1.907 -9.462 -9.207 460 1HB GLU 60 HB2 GLU 60 -2.525 -11.649 -9.037 461 2HB GLU 60 HB1 GLU 60 -0.880 -11.851 -8.446 462 1HG GLU 60 HG2 GLU 60 -2.090 -11.215 -6.120 463 2HG GLU 60 HG1 GLU 60 -3.456 -11.956 -6.957 464 H HIS 61 HN HIS 61 -1.242 -7.827 -6.743 465 HA HIS 61 HA HIS 61 -3.726 -8.149 -5.173 466 1HB HIS 61 HB2 HIS 61 -1.465 -6.163 -4.782 467 2HB HIS 61 HB1 HIS 61 -2.709 -6.607 -3.623 468 HD1 HIS 61 HD1 HIS 61 -2.128 -9.721 -4.944 469 HD2 HIS 61 HD2 HIS 61 0.264 -7.264 -2.573 470 HE1 HIS 61 HE1 HIS 61 -0.416 -11.228 -3.853 471 H GLU 62 HN GLU 62 -4.775 -5.835 -4.665 472 HA GLU 62 HA GLU 62 -4.818 -4.349 -7.263 473 1HB GLU 62 HB2 GLU 62 -7.005 -5.366 -5.538 474 2HB GLU 62 HB1 GLU 62 -7.260 -3.820 -6.328 475 1HG GLU 62 HG2 GLU 62 -7.167 -4.746 -8.465 476 2HG GLU 62 HG1 GLU 62 -6.190 -6.117 -7.937 477 H LEU 63 HN LEU 63 -4.845 -2.167 -7.180 478 HA LEU 63 HA LEU 63 -4.239 -0.862 -4.597 479 1HB LEU 63 HB2 LEU 63 -2.906 0.094 -6.280 480 2HB LEU 63 HB1 LEU 63 -4.163 -0.066 -7.503 481 HG LEU 63 HG LEU 63 -5.463 1.718 -6.198 482 1HD1 LEU 63 HD11 LEU 63 -4.599 2.529 -4.284 483 2HD1 LEU 63 HD12 LEU 63 -3.088 2.931 -5.098 484 3HD1 LEU 63 HD13 LEU 63 -3.313 1.329 -4.398 485 1HD2 LEU 63 HD21 LEU 63 -4.635 3.194 -7.700 486 2HD2 LEU 63 HD22 LEU 63 -3.548 1.895 -8.192 487 3HD2 LEU 63 HD23 LEU 63 -3.011 3.098 -7.020 488 H VAL 64 HN VAL 64 -6.188 -0.768 -3.410 489 HA VAL 64 HA VAL 64 -8.692 -0.453 -4.741 490 HB VAL 64 HB VAL 64 -7.816 -0.325 -1.853 491 1HG1 VAL 64 HG11 VAL 64 -9.849 0.914 -1.973 492 2HG1 VAL 64 HG12 VAL 64 -10.300 -0.721 -1.481 493 3HG1 VAL 64 HG13 VAL 64 -10.532 -0.205 -3.151 494 1HG2 VAL 64 HG21 VAL 64 -9.599 -2.445 -2.811 495 2HG2 VAL 64 HG22 VAL 64 -8.108 -2.567 -1.877 496 3HG2 VAL 64 HG23 VAL 64 -8.041 -2.430 -3.634 497 H ALA 65 HN ALA 65 -6.754 1.884 -2.730 498 HA ALA 65 HA ALA 65 -8.044 4.015 -4.370 499 1HB ALA 65 HB1 ALA 65 -8.195 5.178 -1.898 500 2HB ALA 65 HB2 ALA 65 -8.598 3.503 -1.519 501 3HB ALA 65 HB3 ALA 65 -9.548 4.391 -2.710 502 H LYS 66 HN LYS 66 -6.477 5.595 -4.881 503 HA LYS 66 HA LYS 66 -3.961 5.417 -3.353 504 1HB LYS 66 HB2 LYS 66 -4.320 7.166 -5.728 505 2HB LYS 66 HB1 LYS 66 -2.894 6.269 -5.211 506 1HG LYS 66 HG2 LYS 66 -3.565 4.903 -6.873 507 2HG LYS 66 HG1 LYS 66 -4.563 4.225 -5.616 508 1HD LYS 66 HD2 LYS 66 -6.350 4.675 -6.913 509 2HD LYS 66 HD1 LYS 66 -6.033 6.386 -6.622 510 1HE LYS 66 HE2 LYS 66 -4.560 6.473 -8.580 511 2HE LYS 66 HE1 LYS 66 -4.800 4.748 -8.857 512 1HZ LYS 66 HZ1 LYS 66 -6.462 6.934 -9.593 513 2HZ LYS 66 HZ2 LYS 66 -7.324 5.807 -8.659 514 3HZ LYS 66 HZ3 LYS 66 -6.541 5.313 -10.084 515 H GLU 67 HN GLU 67 -2.869 7.396 -2.817 516 HA GLU 67 HA GLU 67 -4.618 9.749 -2.420 517 1HB GLU 67 HB2 GLU 67 -3.336 8.079 -0.374 518 2HB GLU 67 HB1 GLU 67 -3.292 9.801 -0.111 519 1HG GLU 67 HG2 GLU 67 -5.915 9.054 -1.011 520 2HG GLU 67 HG1 GLU 67 -5.462 8.035 0.356 521 H THR 68 HN THR 68 -3.552 11.316 -3.512 522 HA THR 68 HA THR 68 -0.635 11.683 -2.970 523 HB THR 68 HB THR 68 -0.181 12.083 -5.303 524 HG1 THR 68 HG1 THR 68 -2.963 12.139 -5.420 525 1HG2 THR 68 HG21 THR 68 -0.582 9.907 -6.248 526 2HG2 THR 68 HG22 THR 68 -1.983 9.653 -5.207 527 3HG2 THR 68 HG23 THR 68 -0.362 9.686 -4.512 528 H ASP 69 HN ASP 69 -3.067 12.948 -1.917 529 HA ASP 69 HA ASP 69 -3.321 15.535 -3.245 530 1HB ASP 69 HB2 ASP 69 -4.261 14.622 -0.521 531 2HB ASP 69 HB1 ASP 69 -4.762 16.112 -1.324 532 H GLY 70 HN GLY 70 -0.857 14.321 -1.607 533 1HA GLY 70 HA2 GLY 70 0.937 16.107 -1.296 534 2HA GLY 70 HA1 GLY 70 -0.197 16.790 -0.160 535 H LEU 71 HN LEU 71 2.434 15.162 -0.247 536 HA LEU 71 HA LEU 71 2.482 12.826 1.089 537 1HB LEU 71 HB2 LEU 71 4.129 15.239 1.867 538 2HB LEU 71 HB1 LEU 71 4.488 13.585 2.323 539 HG LEU 71 HG LEU 71 4.048 14.103 -0.543 540 1HD1 LEU 71 HD11 LEU 71 6.178 15.355 1.079 541 2HD1 LEU 71 HD12 LEU 71 5.567 15.810 -0.512 542 3HD1 LEU 71 HD13 LEU 71 6.739 14.501 -0.360 543 1HD2 LEU 71 HD21 LEU 71 5.812 12.354 1.166 544 2HD2 LEU 71 HD22 LEU 71 6.025 12.471 -0.581 545 3HD2 LEU 71 HD23 LEU 71 4.512 11.856 0.085 546 HA PRO 72 HA PRO 72 3.368 11.771 2.498 547 1HB PRO 72 HB2 PRO 72 2.408 9.717 4.012 548 2HB PRO 72 HB1 PRO 72 3.632 10.853 4.613 549 1HG PRO 72 HG2 PRO 72 0.730 10.706 5.240 550 2HG PRO 72 HG1 PRO 72 2.057 11.275 6.269 551 1HD PRO 72 HD2 PRO 72 0.245 12.925 4.862 552 2HD PRO 72 HD1 PRO 72 1.804 13.452 5.535 553 H TYR 73 HN TYR 73 2.808 10.188 0.978 554 HA TYR 73 HA TYR 73 0.205 10.275 -0.207 555 1HB TYR 73 HB2 TYR 73 2.112 8.049 -0.658 556 2HB TYR 73 HB1 TYR 73 1.009 8.791 -1.809 557 HD1 TYR 73 HD1 TYR 73 4.266 8.694 -0.481 558 HD2 TYR 73 HD2 TYR 73 1.491 11.246 -2.483 559 HE1 TYR 73 HE1 TYR 73 6.162 10.056 -1.309 560 HE2 TYR 73 HE2 TYR 73 3.349 12.668 -3.283 561 HH TYR 73 HH TYR 73 6.749 11.857 -2.490 562 H ARG 74 HN ARG 74 -1.192 8.304 -0.523 563 HA ARG 74 HA ARG 74 -0.731 6.165 1.410 564 1HB ARG 74 HB2 ARG 74 -3.105 8.003 1.477 565 2HB ARG 74 HB1 ARG 74 -3.237 6.323 2.009 566 1HG ARG 74 HG2 ARG 74 -1.886 6.619 3.804 567 2HG ARG 74 HG1 ARG 74 -0.945 7.869 3.026 568 1HD ARG 74 HD2 ARG 74 -3.366 9.104 3.171 569 2HD ARG 74 HD1 ARG 74 -3.431 8.097 4.617 570 HE ARG 74 HE ARG 74 -1.003 9.750 4.233 571 1HH1 ARG 74 HH21 ARG 74 -4.188 10.215 5.168 572 2HH1 ARG 74 HH22 ARG 74 -3.825 10.811 6.753 573 1HH2 ARG 74 HH11 ARG 74 -0.445 10.065 6.547 574 2HH2 ARG 74 HH12 ARG 74 -1.706 10.727 7.532 575 H TYR 75 HN TYR 75 -1.870 4.292 0.837 576 HA TYR 75 HA TYR 75 -3.379 4.357 -1.665 577 1HB TYR 75 HB2 TYR 75 -1.173 2.395 -1.605 578 2HB TYR 75 HB1 TYR 75 -1.949 3.176 -2.983 579 HD1 TYR 75 HD1 TYR 75 -1.500 5.751 -3.254 580 HD2 TYR 75 HD2 TYR 75 0.798 3.136 -0.823 581 HE1 TYR 75 HE1 TYR 75 0.402 7.337 -3.394 582 HE2 TYR 75 HE2 TYR 75 2.733 4.708 -0.924 583 HH TYR 75 HH TYR 75 3.463 6.663 -1.685 584 H LEU 76 HN LEU 76 -5.065 2.933 -1.334 585 HA LEU 76 HA LEU 76 -4.735 1.009 0.779 586 1HB LEU 76 HB2 LEU 76 -6.914 2.126 0.591 587 2HB LEU 76 HB1 LEU 76 -7.108 1.489 -1.024 588 HG LEU 76 HG LEU 76 -6.712 -0.811 0.042 589 1HD1 LEU 76 HD11 LEU 76 -7.879 0.117 2.542 590 2HD1 LEU 76 HD12 LEU 76 -6.255 0.754 2.282 591 3HD1 LEU 76 HD13 LEU 76 -6.530 -0.988 2.274 592 1HD2 LEU 76 HD21 LEU 76 -9.233 -0.084 1.144 593 2HD2 LEU 76 HD22 LEU 76 -8.881 -0.955 -0.348 594 3HD2 LEU 76 HD23 LEU 76 -8.974 0.807 -0.354 595 H ILE 77 HN ILE 77 -4.893 -1.351 0.219 596 HA ILE 77 HA ILE 77 -4.902 -1.885 -2.675 597 HB ILE 77 HB ILE 77 -2.760 -2.914 -0.809 598 1HG1 ILE 77 HG12 ILE 77 -2.900 -0.532 -2.647 599 2HG1 ILE 77 HG11 ILE 77 -2.315 -0.610 -0.990 600 1HG2 ILE 77 HG21 ILE 77 -3.619 -3.994 -3.158 601 2HG2 ILE 77 HG22 ILE 77 -1.955 -4.102 -2.595 602 3HG2 ILE 77 HG23 ILE 77 -2.411 -2.858 -3.757 603 1HD1 ILE 77 HD11 ILE 77 -0.318 -1.753 -1.651 604 2HD1 ILE 77 HD12 ILE 77 -0.509 -0.398 -2.761 605 3HD1 ILE 77 HD13 ILE 77 -0.933 -2.027 -3.280 606 H ARG 78 HN ARG 78 -6.612 -3.287 -2.813 607 HA ARG 78 HA ARG 78 -7.304 -5.053 -0.620 608 1HB ARG 78 HB2 ARG 78 -9.039 -4.351 -2.171 609 2HB ARG 78 HB1 ARG 78 -8.150 -5.036 -3.530 610 1HG ARG 78 HG2 ARG 78 -8.301 -7.279 -2.264 611 2HG ARG 78 HG1 ARG 78 -9.535 -6.492 -1.279 612 1HD ARG 78 HD2 ARG 78 -10.337 -5.819 -3.819 613 2HD ARG 78 HD1 ARG 78 -9.681 -7.438 -4.065 614 HE ARG 78 HE ARG 78 -11.465 -8.308 -2.775 615 1HH1 ARG 78 HH11 ARG 78 -11.213 -6.587 -0.377 616 2HH1 ARG 78 HH12 ARG 78 -12.674 -5.657 -0.419 617 1HH2 ARG 78 HH21 ARG 78 -13.349 -6.377 -3.743 618 2HH2 ARG 78 HH22 ARG 78 -13.884 -5.539 -2.325 619 H LYS 79 HN LYS 79 -5.871 -6.647 -0.071 620 HA LYS 79 HA LYS 79 -3.933 -7.835 -1.778 621 1HB LYS 79 HB2 LYS 79 -4.195 -7.952 0.812 622 2HB LYS 79 HB1 LYS 79 -5.211 -9.355 0.483 623 1HG LYS 79 HG2 LYS 79 -2.421 -9.039 -0.647 624 2HG LYS 79 HG1 LYS 79 -2.754 -9.875 0.870 625 1HD LYS 79 HD2 LYS 79 -4.541 -11.151 -0.627 626 2HD LYS 79 HD1 LYS 79 -3.449 -10.674 -1.926 627 1HE LYS 79 HE2 LYS 79 -1.556 -11.694 -0.689 628 2HE LYS 79 HE1 LYS 79 -2.677 -12.216 0.568 629 1HZ LYS 79 HZ1 LYS 79 -2.423 -13.162 -2.203 630 2HZ LYS 79 HZ2 LYS 79 -3.929 -13.266 -1.423 631 3HZ LYS 79 HZ3 LYS 79 -2.576 -14.058 -0.772 632 H GLY 80 HN GLY 80 -4.113 -9.408 -3.305 633 1HA GLY 80 HA2 GLY 80 -6.590 -11.057 -3.354 634 2HA GLY 80 HA1 GLY 80 -6.115 -10.179 -4.809 635 H GLY 81 HN GLY 81 -6.137 -12.583 -5.530 636 1HA GLY 81 HA2 GLY 81 -4.187 -13.759 -6.627 637 2HA GLY 81 HA1 GLY 81 -3.423 -13.736 -5.035 Start of MODEL 12 1 1H MET 1 HT1 MET 1 -22.478 5.387 -3.454 2 2H MET 1 HT2 MET 1 -22.273 6.605 -2.288 3 3H MET 1 HT3 MET 1 -22.219 4.970 -1.831 4 HA MET 1 HA MET 1 -20.272 4.873 -3.547 5 1HB MET 1 HB2 MET 1 -20.303 7.760 -2.613 6 2HB MET 1 HB1 MET 1 -18.995 6.988 -3.510 7 1HG MET 1 HG2 MET 1 -20.832 6.405 -5.255 8 2HG MET 1 HG1 MET 1 -21.779 7.656 -4.448 9 1HE MET 1 HE1 MET 1 -20.326 8.150 -7.875 10 2HE MET 1 HE2 MET 1 -21.180 9.579 -7.300 11 3HE MET 1 HE3 MET 1 -21.778 7.977 -6.879 12 H THR 2 HN THR 2 -19.941 3.367 -1.791 13 HA THR 2 HA THR 2 -19.440 4.140 0.910 14 HB THR 2 HB THR 2 -19.894 1.814 0.323 15 HG1 THR 2 HG1 THR 2 -17.203 1.846 1.131 16 1HG2 THR 2 HG21 THR 2 -18.493 2.152 -1.891 17 2HG2 THR 2 HG22 THR 2 -18.619 0.556 -1.152 18 3HG2 THR 2 HG23 THR 2 -17.174 1.533 -0.897 19 H ASP 3 HN ASP 3 -17.319 4.153 2.013 20 HA ASP 3 HA ASP 3 -15.380 5.747 0.542 21 1HB ASP 3 HB2 ASP 3 -15.839 4.925 3.324 22 2HB ASP 3 HB1 ASP 3 -14.131 4.988 2.889 23 H LEU 4 HN LEU 4 -13.143 5.118 0.175 24 HA LEU 4 HA LEU 4 -12.893 2.206 -0.374 25 1HB LEU 4 HB2 LEU 4 -11.284 4.596 -1.323 26 2HB LEU 4 HB1 LEU 4 -10.903 2.922 -1.733 27 HG LEU 4 HG LEU 4 -13.388 4.487 -2.462 28 1HD1 LEU 4 HD11 LEU 4 -12.420 3.151 -4.678 29 2HD1 LEU 4 HD12 LEU 4 -10.943 3.584 -3.817 30 3HD1 LEU 4 HD13 LEU 4 -12.090 4.838 -4.287 31 1HD2 LEU 4 HD21 LEU 4 -12.870 1.524 -2.373 32 2HD2 LEU 4 HD22 LEU 4 -13.929 2.191 -3.616 33 3HD2 LEU 4 HD23 LEU 4 -14.323 2.410 -1.912 34 H PHE 5 HN PHE 5 -11.229 4.874 1.290 35 HA PHE 5 HA PHE 5 -9.196 3.033 2.348 36 1HB PHE 5 HB2 PHE 5 -9.665 5.979 2.397 37 2HB PHE 5 HB1 PHE 5 -8.708 5.282 3.705 38 HD1 PHE 5 HD1 PHE 5 -6.731 6.551 2.834 39 HD2 PHE 5 HD2 PHE 5 -8.704 3.546 0.503 40 HE1 PHE 5 HE1 PHE 5 -4.779 6.394 1.322 41 HE2 PHE 5 HE2 PHE 5 -6.725 3.414 -0.977 42 HZ PHE 5 HZ PHE 5 -4.764 4.891 -0.601 43 H SER 6 HN SER 6 -12.248 3.075 3.048 44 HA SER 6 HA SER 6 -12.719 3.801 5.695 45 1HB SER 6 HB2 SER 6 -13.578 1.235 4.323 46 2HB SER 6 HB1 SER 6 -14.283 1.869 5.807 47 HG SER 6 HG SER 6 -14.917 3.706 4.650 48 H SER 7 HN SER 7 -12.869 2.071 7.586 49 HA SER 7 HA SER 7 -10.311 1.454 8.489 50 1HB SER 7 HB2 SER 7 -11.328 0.039 10.120 51 2HB SER 7 HB1 SER 7 -12.526 1.279 9.763 52 HG SER 7 HG SER 7 -13.775 -0.197 8.935 53 HA PRO 8 HA PRO 8 -9.485 -1.719 5.385 54 1HB PRO 8 HB2 PRO 8 -6.757 -1.564 5.663 55 2HB PRO 8 HB1 PRO 8 -7.704 -0.468 4.645 56 1HG PRO 8 HG2 PRO 8 -6.464 0.050 7.311 57 2HG PRO 8 HG1 PRO 8 -6.813 1.184 5.998 58 1HD PRO 8 HD2 PRO 8 -8.352 0.866 8.338 59 2HD PRO 8 HD1 PRO 8 -8.874 1.699 6.861 60 H ASP 9 HN ASP 9 -8.225 -3.821 5.556 61 HA ASP 9 HA ASP 9 -8.615 -4.967 8.229 62 1HB ASP 9 HB2 ASP 9 -7.623 -6.164 5.624 63 2HB ASP 9 HB1 ASP 9 -7.878 -7.087 7.106 64 H HIS 10 HN HIS 10 -5.995 -3.729 6.309 65 HA HIS 10 HA HIS 10 -4.130 -4.345 8.546 66 1HB HIS 10 HB2 HIS 10 -3.851 -5.129 5.654 67 2HB HIS 10 HB1 HIS 10 -2.418 -4.799 6.621 68 HD1 HIS 10 HD1 HIS 10 -1.559 -6.747 7.934 69 HD2 HIS 10 HD2 HIS 10 -5.609 -7.158 7.031 70 HE1 HIS 10 HE1 HIS 10 -2.260 -9.021 8.804 71 H THR 11 HN THR 11 -2.011 -3.028 8.156 72 HA THR 11 HA THR 11 -2.466 -0.603 6.519 73 HB THR 11 HB THR 11 -1.738 -0.504 9.445 74 HG1 THR 11 HG1 THR 11 -3.783 -0.092 9.832 75 1HG2 THR 11 HG21 THR 11 -2.339 1.676 7.425 76 2HG2 THR 11 HG22 THR 11 -0.757 1.311 8.113 77 3HG2 THR 11 HG23 THR 11 -2.042 1.941 9.144 78 H LEU 12 HN LEU 12 -0.437 0.657 6.298 79 HA LEU 12 HA LEU 12 2.044 -0.771 7.095 80 1HB LEU 12 HB2 LEU 12 1.757 -1.698 4.912 81 2HB LEU 12 HB1 LEU 12 1.232 -0.152 4.253 82 HG LEU 12 HG LEU 12 3.445 0.773 4.311 83 1HD1 LEU 12 HD11 LEU 12 3.953 -1.450 6.297 84 2HD1 LEU 12 HD12 LEU 12 4.227 0.281 6.483 85 3HD1 LEU 12 HD13 LEU 12 5.291 -0.671 5.456 86 1HD2 LEU 12 HD21 LEU 12 3.417 -2.147 3.555 87 2HD2 LEU 12 HD22 LEU 12 4.894 -1.193 3.419 88 3HD2 LEU 12 HD23 LEU 12 3.462 -0.728 2.510 89 H ASP 13 HN ASP 13 2.996 0.900 8.230 90 HA ASP 13 HA ASP 13 2.708 3.676 7.351 91 1HB ASP 13 HB2 ASP 13 3.060 3.170 9.742 92 2HB ASP 13 HB1 ASP 13 4.606 2.409 9.363 93 H ALA 14 HN ALA 14 4.194 4.787 5.997 94 HA ALA 14 HA ALA 14 6.732 3.390 5.401 95 1HB ALA 14 HB1 ALA 14 6.375 2.997 3.205 96 2HB ALA 14 HB2 ALA 14 5.361 4.426 3.004 97 3HB ALA 14 HB3 ALA 14 4.687 2.957 3.712 98 H LEU 15 HN LEU 15 5.517 5.795 6.669 99 HA LEU 15 HA LEU 15 6.647 8.092 5.317 100 1HB LEU 15 HB2 LEU 15 5.839 7.921 8.210 101 2HB LEU 15 HB1 LEU 15 5.827 9.295 7.124 102 HG LEU 15 HG LEU 15 4.073 6.896 6.684 103 1HD1 LEU 15 HD11 LEU 15 2.440 7.773 8.016 104 2HD1 LEU 15 HD12 LEU 15 2.890 9.437 7.642 105 3HD1 LEU 15 HD13 LEU 15 3.805 8.526 8.843 106 1HD2 LEU 15 HD21 LEU 15 4.672 9.392 5.289 107 2HD2 LEU 15 HD22 LEU 15 2.949 9.188 5.601 108 3HD2 LEU 15 HD23 LEU 15 3.832 7.956 4.703 109 H GLY 16 HN GLY 16 8.793 8.010 5.195 110 1HA GLY 16 HA2 GLY 16 10.968 8.371 6.236 111 2HA GLY 16 HA1 GLY 16 10.355 7.569 7.690 112 H LEU 17 HN LEU 17 9.079 5.772 5.334 113 HA LEU 17 HA LEU 17 11.198 3.729 5.464 114 1HB LEU 17 HB2 LEU 17 8.365 3.692 4.378 115 2HB LEU 17 HB1 LEU 17 9.465 2.323 4.302 116 HG LEU 17 HG LEU 17 8.039 3.486 6.641 117 1HD1 LEU 17 HD11 LEU 17 8.926 0.722 5.758 118 2HD1 LEU 17 HD12 LEU 17 7.309 1.402 5.573 119 3HD1 LEU 17 HD13 LEU 17 7.940 1.049 7.182 120 1HD2 LEU 17 HD21 LEU 17 9.705 2.275 8.117 121 2HD2 LEU 17 HD22 LEU 17 10.281 3.784 7.407 122 3HD2 LEU 17 HD23 LEU 17 10.785 2.237 6.723 123 H ARG 18 HN ARG 18 12.130 2.936 3.526 124 HA ARG 18 HA ARG 18 11.283 4.358 1.075 125 1HB ARG 18 HB2 ARG 18 13.768 4.778 0.567 126 2HB ARG 18 HB1 ARG 18 12.946 5.822 1.726 127 1HG ARG 18 HG2 ARG 18 14.761 5.339 3.036 128 2HG ARG 18 HG1 ARG 18 13.841 3.880 3.400 129 1HD ARG 18 HD2 ARG 18 14.998 2.909 1.274 130 2HD ARG 18 HD1 ARG 18 16.147 4.227 1.498 131 HE ARG 18 HE ARG 18 16.210 3.184 3.961 132 1HH1 ARG 18 HH21 ARG 18 17.413 2.175 1.053 133 2HH1 ARG 18 HH22 ARG 18 17.637 0.514 1.493 134 1HH2 ARG 18 HH11 ARG 18 15.896 0.795 4.478 135 2HH2 ARG 18 HH12 ARG 18 16.777 -0.267 3.431 136 H CYS 19 HN CYS 19 11.869 3.261 -0.828 137 HA CYS 19 HA CYS 19 11.726 0.477 -0.775 138 1HB CYS 19 HB2 CYS 19 11.443 1.556 -2.863 139 2HB CYS 19 HB1 CYS 19 13.034 2.308 -2.789 140 HG CYS 19 HG CYS 19 13.691 -0.507 -2.761 141 HA PRO 20 HA PRO 20 12.201 -1.283 -1.458 142 1HB PRO 20 HB2 PRO 20 13.021 -3.705 -0.496 143 2HB PRO 20 HB1 PRO 20 13.650 -3.009 -2.001 144 1HG PRO 20 HG2 PRO 20 14.989 -3.268 0.644 145 2HG PRO 20 HG1 PRO 20 15.710 -3.137 -0.965 146 1HD PRO 20 HD2 PRO 20 15.449 -1.057 0.973 147 2HD PRO 20 HD1 PRO 20 16.014 -0.890 -0.704 148 H GLU 21 HN GLU 21 13.090 -0.404 1.616 149 HA GLU 21 HA GLU 21 11.924 -2.179 3.397 150 1HB GLU 21 HB2 GLU 21 12.318 0.746 3.494 151 2HB GLU 21 HB1 GLU 21 11.448 -0.039 4.802 152 1HG GLU 21 HG2 GLU 21 13.540 -1.721 4.610 153 2HG GLU 21 HG1 GLU 21 14.319 -0.244 4.039 154 HA PRO 22 HA PRO 22 7.699 -0.011 3.204 155 1HB PRO 22 HB2 PRO 22 7.192 1.325 0.851 156 2HB PRO 22 HB1 PRO 22 7.789 2.103 2.313 157 1HG PRO 22 HG2 PRO 22 9.266 1.396 -0.177 158 2HG PRO 22 HG1 PRO 22 9.569 2.713 0.970 159 1HD PRO 22 HD2 PRO 22 11.020 0.340 0.858 160 2HD PRO 22 HD1 PRO 22 10.965 1.408 2.266 161 H VAL 23 HN VAL 23 8.584 -0.478 -0.197 162 HA VAL 23 HA VAL 23 6.460 -2.140 -0.972 163 HB VAL 23 HB VAL 23 9.381 -2.454 -1.719 164 1HG1 VAL 23 HG11 VAL 23 8.039 -3.135 -3.940 165 2HG1 VAL 23 HG12 VAL 23 6.817 -3.584 -2.750 166 3HG1 VAL 23 HG13 VAL 23 8.421 -4.316 -2.687 167 1HG2 VAL 23 HG21 VAL 23 7.389 -0.391 -2.314 168 2HG2 VAL 23 HG22 VAL 23 8.056 -1.121 -3.774 169 3HG2 VAL 23 HG23 VAL 23 9.131 -0.377 -2.591 170 H MET 24 HN MET 24 9.209 -2.782 1.112 171 HA MET 24 HA MET 24 8.965 -5.686 1.023 172 1HB MET 24 HB2 MET 24 10.429 -3.716 2.762 173 2HB MET 24 HB1 MET 24 10.339 -5.413 3.231 174 1HG MET 24 HG2 MET 24 11.019 -5.069 0.406 175 2HG MET 24 HG1 MET 24 12.199 -4.321 1.482 176 1HE MET 24 HE1 MET 24 13.793 -7.724 0.455 177 2HE MET 24 HE2 MET 24 14.096 -6.001 0.671 178 3HE MET 24 HE3 MET 24 12.862 -6.535 -0.467 179 H MET 25 HN MET 25 7.804 -3.138 3.208 180 HA MET 25 HA MET 25 6.697 -4.877 5.178 181 1HB MET 25 HB2 MET 25 6.229 -2.029 4.365 182 2HB MET 25 HB1 MET 25 5.112 -2.792 5.497 183 1HG MET 25 HG2 MET 25 8.043 -3.107 5.995 184 2HG MET 25 HG1 MET 25 7.307 -1.545 6.354 185 1HE MET 25 HE1 MET 25 8.273 -1.843 8.356 186 2HE MET 25 HE2 MET 25 8.334 -3.364 9.241 187 3HE MET 25 HE3 MET 25 7.192 -2.115 9.730 188 H VAL 26 HN VAL 26 5.276 -3.436 2.230 189 HA VAL 26 HA VAL 26 2.653 -4.536 2.639 190 HB VAL 26 HB VAL 26 4.125 -3.872 0.074 191 1HG1 VAL 26 HG11 VAL 26 2.357 -4.663 -1.094 192 2HG1 VAL 26 HG12 VAL 26 1.222 -3.802 -0.059 193 3HG1 VAL 26 HG13 VAL 26 1.785 -5.408 0.396 194 1HG2 VAL 26 HG21 VAL 26 2.171 -2.039 0.288 195 2HG2 VAL 26 HG22 VAL 26 3.758 -1.801 1.017 196 3HG2 VAL 26 HG23 VAL 26 2.411 -2.376 2.002 197 H ARG 27 HN ARG 27 5.654 -5.869 1.447 198 HA ARG 27 HA ARG 27 4.566 -8.200 0.161 199 1HB ARG 27 HB2 ARG 27 7.241 -7.451 1.281 200 2HB ARG 27 HB1 ARG 27 6.921 -9.152 0.919 201 1HG ARG 27 HG2 ARG 27 6.235 -7.068 -1.122 202 2HG ARG 27 HG1 ARG 27 7.912 -7.575 -0.943 203 1HD ARG 27 HD2 ARG 27 6.101 -9.855 -0.957 204 2HD ARG 27 HD1 ARG 27 5.952 -8.897 -2.427 205 HE ARG 27 HE ARG 27 8.580 -9.117 -2.422 206 1HH1 ARG 27 HH11 ARG 27 6.096 -11.415 -2.332 207 2HH1 ARG 27 HH12 ARG 27 7.147 -12.789 -2.250 208 1HH2 ARG 27 HH21 ARG 27 10.029 -10.892 -1.891 209 2HH2 ARG 27 HH22 ARG 27 9.375 -12.493 -1.999 210 H LYS 28 HN LYS 28 6.072 -7.854 3.343 211 HA LYS 28 HA LYS 28 5.426 -10.446 4.325 212 1HB LYS 28 HB2 LYS 28 6.043 -7.817 5.668 213 2HB LYS 28 HB1 LYS 28 5.595 -9.229 6.626 214 1HG LYS 28 HG2 LYS 28 7.445 -10.325 4.954 215 2HG LYS 28 HG1 LYS 28 8.079 -8.687 5.110 216 1HD LYS 28 HD2 LYS 28 7.229 -9.575 7.698 217 2HD LYS 28 HD1 LYS 28 8.263 -10.819 6.992 218 1HE LYS 28 HE2 LYS 28 9.847 -9.420 7.975 219 2HE LYS 28 HE1 LYS 28 9.783 -8.771 6.337 220 1HZ LYS 28 HZ1 LYS 28 9.614 -7.116 8.216 221 2HZ LYS 28 HZ2 LYS 28 8.063 -7.741 8.513 222 3HZ LYS 28 HZ3 LYS 28 8.417 -7.012 7.018 223 H THR 29 HN THR 29 3.710 -7.392 4.445 224 HA THR 29 HA THR 29 1.473 -8.239 6.037 225 HB THR 29 HB THR 29 2.212 -6.021 4.211 226 HG1 THR 29 HG1 THR 29 2.473 -6.098 6.544 227 1HG2 THR 29 HG21 THR 29 -0.105 -6.686 3.474 228 2HG2 THR 29 HG22 THR 29 0.032 -5.043 4.088 229 3HG2 THR 29 HG23 THR 29 -0.659 -6.307 5.105 230 H VAL 30 HN VAL 30 2.328 -8.285 2.671 231 HA VAL 30 HA VAL 30 -0.211 -9.163 1.618 232 HB VAL 30 HB VAL 30 2.653 -9.100 0.678 233 1HG1 VAL 30 HG11 VAL 30 1.737 -9.960 -1.543 234 2HG1 VAL 30 HG12 VAL 30 0.358 -10.549 -0.613 235 3HG1 VAL 30 HG13 VAL 30 1.979 -11.152 -0.265 236 1HG2 VAL 30 HG21 VAL 30 0.287 -8.040 -0.829 237 2HG2 VAL 30 HG22 VAL 30 1.937 -7.423 -0.767 238 3HG2 VAL 30 HG23 VAL 30 0.848 -7.168 0.597 239 H ARG 31 HN ARG 31 2.569 -10.616 3.081 240 HA ARG 31 HA ARG 31 1.929 -13.372 2.392 241 1HB ARG 31 HB2 ARG 31 3.748 -12.177 4.509 242 2HB ARG 31 HB1 ARG 31 3.668 -13.895 4.117 243 1HG ARG 31 HG2 ARG 31 4.247 -13.263 1.721 244 2HG ARG 31 HG1 ARG 31 4.576 -11.640 2.312 245 1HD ARG 31 HD2 ARG 31 6.660 -12.886 2.249 246 2HD ARG 31 HD1 ARG 31 6.213 -12.597 3.931 247 HE ARG 31 HE ARG 31 5.103 -15.077 3.341 248 1HH1 ARG 31 HH21 ARG 31 7.904 -13.814 4.576 249 2HH1 ARG 31 HH22 ARG 31 8.907 -15.185 4.238 250 1HH2 ARG 31 HH11 ARG 31 6.524 -16.776 2.283 251 2HH2 ARG 31 HH12 ARG 31 8.126 -16.862 2.939 252 H ASN 32 HN ASN 32 1.219 -11.099 4.984 253 HA ASN 32 HA ASN 32 -0.168 -13.278 6.483 254 1HB ASN 32 HB2 ASN 32 -0.232 -11.754 8.367 255 2HB ASN 32 HB1 ASN 32 1.409 -11.776 7.728 256 1HD2 ASN 32 HD21 ASN 32 1.783 -9.594 8.616 257 2HD2 ASN 32 HD22 ASN 32 1.114 -8.228 7.866 258 H MET 33 HN MET 33 -0.920 -11.372 4.010 259 HA MET 33 HA MET 33 -3.543 -10.463 5.050 260 1HB MET 33 HB2 MET 33 -1.870 -9.813 2.670 261 2HB MET 33 HB1 MET 33 -3.619 -9.701 2.478 262 1HG MET 33 HG2 MET 33 -3.406 -8.429 4.819 263 2HG MET 33 HG1 MET 33 -1.798 -8.085 4.201 264 1HE MET 33 HE1 MET 33 -5.637 -7.394 1.834 265 2HE MET 33 HE2 MET 33 -5.765 -7.297 3.588 266 3HE MET 33 HE3 MET 33 -5.174 -8.776 2.836 267 H GLN 34 HN GLN 34 -5.422 -10.859 3.524 268 HA GLN 34 HA GLN 34 -5.266 -13.586 2.313 269 1HB GLN 34 HB2 GLN 34 -7.609 -12.440 3.868 270 2HB GLN 34 HB1 GLN 34 -7.485 -14.069 3.198 271 1HG GLN 34 HG2 GLN 34 -5.975 -14.767 4.813 272 2HG GLN 34 HG1 GLN 34 -5.351 -13.139 5.080 273 1HE2 GLN 34 HE21 GLN 34 -6.478 -11.766 6.595 274 2HE2 GLN 34 HE22 GLN 34 -7.734 -12.345 7.580 275 HA PRO 35 HA PRO 35 -7.026 -11.602 -1.167 276 1HB PRO 35 HB2 PRO 35 -8.406 -13.725 -2.272 277 2HB PRO 35 HB1 PRO 35 -6.650 -13.517 -2.386 278 1HG PRO 35 HG2 PRO 35 -8.214 -15.378 -0.644 279 2HG PRO 35 HG1 PRO 35 -6.586 -15.573 -1.313 280 1HD PRO 35 HD2 PRO 35 -7.155 -14.839 1.337 281 2HD PRO 35 HD1 PRO 35 -5.595 -14.589 0.521 282 H GLY 36 HN GLY 36 -8.687 -10.241 -1.115 283 1HA GLY 36 HA2 GLY 36 -11.091 -9.786 -1.234 284 2HA GLY 36 HA1 GLY 36 -11.345 -11.159 -0.144 285 H GLU 37 HN GLU 37 -8.593 -9.174 0.465 286 HA GLU 37 HA GLU 37 -10.049 -7.899 2.753 287 1HB GLU 37 HB2 GLU 37 -7.429 -9.316 2.580 288 2HB GLU 37 HB1 GLU 37 -7.539 -7.935 3.663 289 1HG GLU 37 HG2 GLU 37 -8.108 -10.134 4.754 290 2HG GLU 37 HG1 GLU 37 -9.395 -8.932 4.855 291 H THR 38 HN THR 38 -8.334 -6.043 3.610 292 HA THR 38 HA THR 38 -7.410 -4.536 1.209 293 HB THR 38 HB THR 38 -8.368 -2.485 2.628 294 HG1 THR 38 HG1 THR 38 -9.194 -4.391 4.057 295 1HG2 THR 38 HG21 THR 38 -10.268 -4.179 1.009 296 2HG2 THR 38 HG22 THR 38 -8.917 -3.325 0.263 297 3HG2 THR 38 HG23 THR 38 -10.179 -2.420 1.101 298 H LEU 39 HN LEU 39 -5.849 -2.866 1.711 299 HA LEU 39 HA LEU 39 -4.648 -2.940 4.436 300 1HB LEU 39 HB2 LEU 39 -3.363 -4.613 3.300 301 2HB LEU 39 HB1 LEU 39 -3.246 -3.633 1.840 302 HG LEU 39 HG LEU 39 -2.114 -1.915 3.560 303 1HD1 LEU 39 HD11 LEU 39 -1.939 -4.619 4.826 304 2HD1 LEU 39 HD12 LEU 39 -2.146 -3.040 5.580 305 3HD1 LEU 39 HD13 LEU 39 -0.569 -3.519 4.963 306 1HD2 LEU 39 HD21 LEU 39 -0.965 -2.627 1.589 307 2HD2 LEU 39 HD22 LEU 39 -0.869 -4.291 2.164 308 3HD2 LEU 39 HD23 LEU 39 0.102 -3.036 2.932 309 H LEU 40 HN LEU 40 -4.555 -0.774 4.967 310 HA LEU 40 HA LEU 40 -4.350 1.243 2.827 311 1HB LEU 40 HB2 LEU 40 -5.892 1.860 4.542 312 2HB LEU 40 HB1 LEU 40 -4.772 1.393 5.823 313 HG LEU 40 HG LEU 40 -3.241 3.218 5.125 314 1HD1 LEU 40 HD11 LEU 40 -3.531 4.381 3.204 315 2HD1 LEU 40 HD12 LEU 40 -5.251 4.618 3.516 316 3HD1 LEU 40 HD13 LEU 40 -4.689 3.127 2.759 317 1HD2 LEU 40 HD21 LEU 40 -4.971 3.609 6.869 318 2HD2 LEU 40 HD22 LEU 40 -6.090 4.147 5.617 319 3HD2 LEU 40 HD23 LEU 40 -4.627 5.073 5.949 320 H ILE 41 HN ILE 41 -2.475 2.491 2.520 321 HA ILE 41 HA ILE 41 -0.172 1.826 4.302 322 HB ILE 41 HB ILE 41 0.089 2.089 1.306 323 1HG1 ILE 41 HG12 ILE 41 -0.681 -0.317 2.975 324 2HG1 ILE 41 HG11 ILE 41 -1.400 0.263 1.486 325 1HG2 ILE 41 HG21 ILE 41 2.013 0.361 2.301 326 2HG2 ILE 41 HG22 ILE 41 1.825 1.523 3.605 327 3HG2 ILE 41 HG23 ILE 41 2.249 2.077 1.987 328 1HD1 ILE 41 HD11 ILE 41 0.719 -1.639 1.801 329 2HD1 ILE 41 HD12 ILE 41 1.314 -0.251 0.890 330 3HD1 ILE 41 HD13 ILE 41 -0.101 -1.137 0.324 331 H ILE 42 HN ILE 42 1.136 3.585 4.786 332 HA ILE 42 HA ILE 42 0.502 6.126 3.378 333 HB ILE 42 HB ILE 42 1.770 5.833 6.106 334 1HG1 ILE 42 HG12 ILE 42 -1.100 5.795 5.248 335 2HG1 ILE 42 HG11 ILE 42 -0.316 4.930 6.571 336 1HG2 ILE 42 HG21 ILE 42 1.456 8.153 6.284 337 2HG2 ILE 42 HG22 ILE 42 0.202 8.175 5.047 338 3HG2 ILE 42 HG23 ILE 42 1.886 7.968 4.587 339 1HD1 ILE 42 HD11 ILE 42 -1.712 6.679 7.502 340 2HD1 ILE 42 HD12 ILE 42 -0.946 7.882 6.463 341 3HD1 ILE 42 HD13 ILE 42 -0.018 7.107 7.747 342 H ALA 43 HN ALA 43 2.394 7.455 2.956 343 HA ALA 43 HA ALA 43 5.026 6.305 3.420 344 1HB ALA 43 HB1 ALA 43 5.512 5.441 1.362 345 2HB ALA 43 HB2 ALA 43 4.522 6.631 0.518 346 3HB ALA 43 HB3 ALA 43 3.764 5.229 1.273 347 H ASP 44 HN ASP 44 6.389 7.994 3.587 348 HA ASP 44 HA ASP 44 5.543 10.533 2.295 349 1HB ASP 44 HB2 ASP 44 6.978 11.717 3.834 350 2HB ASP 44 HB1 ASP 44 5.967 10.637 4.783 351 H ASP 45 HN ASP 45 7.828 7.948 2.447 352 HA ASP 45 HA ASP 45 9.983 9.163 1.020 353 1HB ASP 45 HB2 ASP 45 10.480 7.109 1.915 354 2HB ASP 45 HB1 ASP 45 8.930 6.439 1.459 355 HA PRO 46 HA PRO 46 7.962 9.752 -2.870 356 1HB PRO 46 HB2 PRO 46 10.221 10.198 -4.368 357 2HB PRO 46 HB1 PRO 46 9.519 11.403 -3.274 358 1HG PRO 46 HG2 PRO 46 11.972 9.747 -2.920 359 2HG PRO 46 HG1 PRO 46 11.569 11.318 -2.210 360 1HD PRO 46 HD2 PRO 46 11.410 8.810 -0.903 361 2HD PRO 46 HD1 PRO 46 10.723 10.335 -0.322 362 H ALA 47 HN ALA 47 10.337 7.320 -2.301 363 HA ALA 47 HA ALA 47 9.969 6.041 -4.936 364 1HB ALA 47 HB1 ALA 47 11.605 4.428 -4.183 365 2HB ALA 47 HB2 ALA 47 11.436 4.964 -2.512 366 3HB ALA 47 HB3 ALA 47 12.175 6.028 -3.707 367 H THR 48 HN THR 48 8.181 6.143 -2.139 368 HA THR 48 HA THR 48 7.380 3.303 -2.178 369 HB THR 48 HB THR 48 5.700 4.175 -0.426 370 HG1 THR 48 HG1 THR 48 7.028 6.286 0.307 371 1HG2 THR 48 HG21 THR 48 8.288 4.886 0.701 372 2HG2 THR 48 HG22 THR 48 8.377 3.428 -0.284 373 3HG2 THR 48 HG23 THR 48 7.248 3.511 1.068 374 H THR 49 HN THR 49 6.023 6.476 -3.020 375 HA THR 49 HA THR 49 3.405 5.615 -3.707 376 HB THR 49 HB THR 49 3.125 7.683 -4.704 377 HG1 THR 49 HG1 THR 49 4.284 7.517 -6.508 378 1HG2 THR 49 HG21 THR 49 5.775 8.540 -3.684 379 2HG2 THR 49 HG22 THR 49 4.701 7.764 -2.521 380 3HG2 THR 49 HG23 THR 49 4.175 9.215 -3.375 381 H ARG 50 HN ARG 50 6.463 5.412 -5.401 382 HA ARG 50 HA ARG 50 5.086 4.331 -7.802 383 1HB ARG 50 HB2 ARG 50 7.913 5.185 -7.224 384 2HB ARG 50 HB1 ARG 50 7.495 4.307 -8.694 385 1HG ARG 50 HG2 ARG 50 5.810 6.048 -9.239 386 2HG ARG 50 HG1 ARG 50 6.293 6.942 -7.796 387 1HD ARG 50 HD2 ARG 50 7.746 7.986 -9.201 388 2HD ARG 50 HD1 ARG 50 8.716 6.527 -8.996 389 HE ARG 50 HE ARG 50 6.755 6.305 -11.147 390 1HH1 ARG 50 HH11 ARG 50 8.672 8.747 -11.458 391 2HH1 ARG 50 HH12 ARG 50 9.876 8.049 -12.490 392 1HH2 ARG 50 HH21 ARG 50 8.834 4.786 -11.942 393 2HH2 ARG 50 HH22 ARG 50 9.966 5.807 -12.765 394 H ASP 51 HN ASP 51 7.381 3.265 -5.327 395 HA ASP 51 HA ASP 51 7.647 0.645 -6.623 396 1HB ASP 51 HB2 ASP 51 8.727 1.676 -3.986 397 2HB ASP 51 HB1 ASP 51 9.191 0.155 -4.759 398 H ILE 52 HN ILE 52 6.257 1.791 -3.525 399 HA ILE 52 HA ILE 52 5.565 -0.751 -2.533 400 HB ILE 52 HB ILE 52 4.556 2.007 -2.086 401 1HG1 ILE 52 HG12 ILE 52 5.521 -0.277 -0.352 402 2HG1 ILE 52 HG11 ILE 52 6.437 1.155 -0.825 403 1HG2 ILE 52 HG21 ILE 52 2.956 0.721 -0.337 404 2HG2 ILE 52 HG22 ILE 52 2.926 -0.454 -1.649 405 3HG2 ILE 52 HG23 ILE 52 2.398 1.202 -1.938 406 1HD1 ILE 52 HD11 ILE 52 3.887 1.848 0.405 407 2HD1 ILE 52 HD12 ILE 52 5.512 2.398 0.811 408 3HD1 ILE 52 HD13 ILE 52 4.900 0.885 1.480 409 HA PRO 53 HA PRO 53 1.427 -0.535 -4.802 410 1HB PRO 53 HB2 PRO 53 1.241 1.303 -6.834 411 2HB PRO 53 HB1 PRO 53 0.659 1.565 -5.181 412 1HG PRO 53 HG2 PRO 53 3.088 2.654 -6.529 413 2HG PRO 53 HG1 PRO 53 2.148 3.343 -5.194 414 1HD PRO 53 HD2 PRO 53 4.609 2.015 -4.933 415 2HD PRO 53 HD1 PRO 53 3.468 2.332 -3.608 416 H GLY 54 HN GLY 54 4.032 0.603 -6.993 417 1HA GLY 54 HA2 GLY 54 3.424 -1.065 -9.167 418 2HA GLY 54 HA1 GLY 54 5.082 -0.618 -8.729 419 H PHE 55 HN PHE 55 4.629 -1.857 -5.997 420 HA PHE 55 HA PHE 55 5.506 -4.542 -6.731 421 1HB PHE 55 HB2 PHE 55 6.565 -3.921 -4.781 422 2HB PHE 55 HB1 PHE 55 5.202 -2.957 -4.223 423 HD1 PHE 55 HD1 PHE 55 5.233 -6.541 -5.319 424 HD2 PHE 55 HD2 PHE 55 4.757 -3.779 -2.075 425 HE1 PHE 55 HE1 PHE 55 4.471 -8.388 -3.861 426 HE2 PHE 55 HE2 PHE 55 3.994 -5.626 -0.631 427 HZ PHE 55 HZ PHE 55 3.844 -7.932 -1.516 428 H CYS 56 HN CYS 56 2.646 -3.259 -4.931 429 HA CYS 56 HA CYS 56 1.332 -5.768 -4.710 430 1HB CYS 56 HB2 CYS 56 0.324 -2.930 -4.857 431 2HB CYS 56 HB1 CYS 56 -0.782 -4.290 -4.668 432 HG CYS 56 HG CYS 56 1.126 -3.233 -2.513 433 H THR 57 HN THR 57 1.272 -3.429 -7.384 434 HA THR 57 HA THR 57 -0.786 -4.764 -8.865 435 HB THR 57 HB THR 57 1.510 -3.154 -10.001 436 HG1 THR 57 HG1 THR 57 -0.110 -1.442 -9.776 437 1HG2 THR 57 HG21 THR 57 -1.137 -4.136 -10.975 438 2HG2 THR 57 HG22 THR 57 0.392 -3.983 -11.841 439 3HG2 THR 57 HG23 THR 57 -0.589 -2.553 -11.525 440 H PHE 58 HN PHE 58 2.701 -5.238 -8.684 441 HA PHE 58 HA PHE 58 2.768 -7.080 -10.937 442 1HB PHE 58 HB2 PHE 58 4.679 -5.617 -9.800 443 2HB PHE 58 HB1 PHE 58 4.906 -7.087 -8.852 444 HD1 PHE 58 HD1 PHE 58 5.702 -5.444 -11.896 445 HD2 PHE 58 HD2 PHE 58 4.970 -9.332 -10.225 446 HE1 PHE 58 HE1 PHE 58 6.906 -6.488 -13.797 447 HE2 PHE 58 HE2 PHE 58 6.174 -10.376 -12.125 448 HZ PHE 58 HZ PHE 58 7.142 -8.954 -13.911 449 H MET 59 HN MET 59 2.100 -7.414 -7.520 450 HA MET 59 HA MET 59 2.568 -10.330 -7.690 451 1HB MET 59 HB2 MET 59 2.278 -8.399 -5.494 452 2HB MET 59 HB1 MET 59 1.749 -10.046 -5.179 453 1HG MET 59 HG2 MET 59 4.119 -10.467 -6.485 454 2HG MET 59 HG1 MET 59 4.472 -8.993 -5.587 455 1HE MET 59 HE1 MET 59 3.483 -13.131 -4.552 456 2HE MET 59 HE2 MET 59 5.215 -12.832 -4.678 457 3HE MET 59 HE3 MET 59 4.146 -12.333 -5.985 458 H GLU 60 HN GLU 60 0.192 -8.642 -8.812 459 HA GLU 60 HA GLU 60 -2.007 -9.228 -9.385 460 1HB GLU 60 HB2 GLU 60 -1.503 -11.649 -7.631 461 2HB GLU 60 HB1 GLU 60 -2.929 -11.402 -8.630 462 1HG GLU 60 HG2 GLU 60 -0.532 -10.952 -10.186 463 2HG GLU 60 HG1 GLU 60 -0.489 -12.548 -9.435 464 H HIS 61 HN HIS 61 -1.311 -7.594 -7.018 465 HA HIS 61 HA HIS 61 -3.589 -8.124 -5.208 466 1HB HIS 61 HB2 HIS 61 -1.442 -5.984 -5.056 467 2HB HIS 61 HB1 HIS 61 -2.570 -6.439 -3.785 468 HD1 HIS 61 HD1 HIS 61 -1.941 -9.547 -5.107 469 HD2 HIS 61 HD2 HIS 61 0.478 -6.955 -2.919 470 HE1 HIS 61 HE1 HIS 61 -0.091 -10.955 -4.130 471 H GLU 62 HN GLU 62 -4.772 -5.887 -4.604 472 HA GLU 62 HA GLU 62 -5.216 -4.494 -7.214 473 1HB GLU 62 HB2 GLU 62 -7.137 -5.322 -5.060 474 2HB GLU 62 HB1 GLU 62 -7.550 -4.066 -6.215 475 1HG GLU 62 HG2 GLU 62 -6.730 -6.909 -6.897 476 2HG GLU 62 HG1 GLU 62 -8.363 -6.250 -7.008 477 H LEU 63 HN LEU 63 -5.171 -2.325 -7.196 478 HA LEU 63 HA LEU 63 -4.396 -0.938 -4.702 479 1HB LEU 63 HB2 LEU 63 -3.158 -0.099 -6.533 480 2HB LEU 63 HB1 LEU 63 -4.530 -0.205 -7.630 481 HG LEU 63 HG LEU 63 -5.621 1.631 -6.194 482 1HD1 LEU 63 HD11 LEU 63 -4.515 2.237 -4.328 483 2HD1 LEU 63 HD12 LEU 63 -3.233 2.882 -5.353 484 3HD1 LEU 63 HD13 LEU 63 -3.142 1.222 -4.765 485 1HD2 LEU 63 HD21 LEU 63 -4.914 3.073 -7.791 486 2HD2 LEU 63 HD22 LEU 63 -3.959 1.723 -8.404 487 3HD2 LEU 63 HD23 LEU 63 -3.225 2.900 -7.315 488 H VAL 64 HN VAL 64 -6.282 -0.789 -3.410 489 HA VAL 64 HA VAL 64 -8.838 -0.455 -4.646 490 HB VAL 64 HB VAL 64 -7.855 -0.322 -1.794 491 1HG1 VAL 64 HG11 VAL 64 -9.869 0.948 -1.841 492 2HG1 VAL 64 HG12 VAL 64 -10.342 -0.680 -1.349 493 3HG1 VAL 64 HG13 VAL 64 -10.605 -0.147 -3.009 494 1HG2 VAL 64 HG21 VAL 64 -8.191 -2.557 -1.785 495 2HG2 VAL 64 HG22 VAL 64 -8.178 -2.436 -3.545 496 3HG2 VAL 64 HG23 VAL 64 -9.708 -2.414 -2.671 497 H ALA 65 HN ALA 65 -6.814 1.853 -2.678 498 HA ALA 65 HA ALA 65 -8.077 3.991 -4.333 499 1HB ALA 65 HB1 ALA 65 -8.707 3.478 -1.528 500 2HB ALA 65 HB2 ALA 65 -9.526 4.523 -2.690 501 3HB ALA 65 HB3 ALA 65 -8.128 5.122 -1.798 502 H LYS 66 HN LYS 66 -6.503 5.540 -4.874 503 HA LYS 66 HA LYS 66 -3.967 5.342 -3.381 504 1HB LYS 66 HB2 LYS 66 -4.324 7.042 -5.791 505 2HB LYS 66 HB1 LYS 66 -2.910 6.124 -5.274 506 1HG LYS 66 HG2 LYS 66 -3.637 4.739 -6.894 507 2HG LYS 66 HG1 LYS 66 -4.629 4.112 -5.609 508 1HD LYS 66 HD2 LYS 66 -6.388 4.526 -6.970 509 2HD LYS 66 HD1 LYS 66 -6.126 6.225 -6.576 510 1HE LYS 66 HE2 LYS 66 -4.323 6.050 -8.513 511 2HE LYS 66 HE1 LYS 66 -5.338 4.704 -9.032 512 1HZ LYS 66 HZ1 LYS 66 -6.625 6.234 -9.969 513 2HZ LYS 66 HZ2 LYS 66 -5.832 7.512 -9.181 514 3HZ LYS 66 HZ3 LYS 66 -7.102 6.691 -8.408 515 H GLU 67 HN GLU 67 -2.843 7.289 -2.869 516 HA GLU 67 HA GLU 67 -4.532 9.697 -2.530 517 1HB GLU 67 HB2 GLU 67 -3.265 8.053 -0.447 518 2HB GLU 67 HB1 GLU 67 -3.205 9.777 -0.227 519 1HG GLU 67 HG2 GLU 67 -5.835 9.135 -1.081 520 2HG GLU 67 HG1 GLU 67 -5.413 8.004 0.206 521 H THR 68 HN THR 68 -3.427 11.198 -3.680 522 HA THR 68 HA THR 68 -0.510 11.528 -3.135 523 HB THR 68 HB THR 68 0.042 11.686 -5.434 524 HG1 THR 68 HG1 THR 68 -1.515 11.879 -7.024 525 1HG2 THR 68 HG21 THR 68 -2.081 9.531 -5.402 526 2HG2 THR 68 HG22 THR 68 -0.522 9.357 -4.595 527 3HG2 THR 68 HG23 THR 68 -0.591 9.562 -6.345 528 H ASP 69 HN ASP 69 -2.915 12.881 -2.175 529 HA ASP 69 HA ASP 69 -3.122 15.401 -3.638 530 1HB ASP 69 HB2 ASP 69 -4.062 14.731 -0.844 531 2HB ASP 69 HB1 ASP 69 -4.609 16.089 -1.831 532 H GLY 70 HN GLY 70 -0.683 14.237 -1.929 533 1HA GLY 70 HA2 GLY 70 1.145 15.983 -1.689 534 2HA GLY 70 HA1 GLY 70 0.013 16.771 -0.620 535 H LEU 71 HN LEU 71 2.603 15.100 -0.521 536 HA LEU 71 HA LEU 71 2.562 12.844 0.943 537 1HB LEU 71 HB2 LEU 71 4.233 15.271 1.613 538 2HB LEU 71 HB1 LEU 71 4.531 13.656 2.222 539 HG LEU 71 HG LEU 71 4.223 13.935 -0.693 540 1HD1 LEU 71 HD11 LEU 71 5.694 15.837 -0.116 541 2HD1 LEU 71 HD12 LEU 71 6.594 14.572 -0.950 542 3HD1 LEU 71 HD13 LEU 71 6.732 14.745 0.799 543 1HD2 LEU 71 HD21 LEU 71 5.899 12.310 1.220 544 2HD2 LEU 71 HD22 LEU 71 6.126 12.245 -0.527 545 3HD2 LEU 71 HD23 LEU 71 4.591 11.742 0.184 546 HA PRO 72 HA PRO 72 3.352 11.845 2.431 547 1HB PRO 72 HB2 PRO 72 2.274 9.905 4.014 548 2HB PRO 72 HB1 PRO 72 3.508 11.037 4.599 549 1HG PRO 72 HG2 PRO 72 0.581 11.002 5.126 550 2HG PRO 72 HG1 PRO 72 1.887 11.595 6.169 551 1HD PRO 72 HD2 PRO 72 0.174 13.206 4.601 552 2HD PRO 72 HD1 PRO 72 1.718 13.732 5.310 553 H TYR 73 HN TYR 73 2.808 10.173 0.991 554 HA TYR 73 HA TYR 73 0.225 10.256 -0.278 555 1HB TYR 73 HB2 TYR 73 2.129 8.008 -0.620 556 2HB TYR 73 HB1 TYR 73 1.055 8.722 -1.811 557 HD1 TYR 73 HD1 TYR 73 4.268 8.657 -0.387 558 HD2 TYR 73 HD2 TYR 73 1.580 11.130 -2.590 559 HE1 TYR 73 HE1 TYR 73 6.193 9.980 -1.188 560 HE2 TYR 73 HE2 TYR 73 3.472 12.509 -3.383 561 HH TYR 73 HH TYR 73 6.829 11.774 -2.363 562 H ARG 74 HN ARG 74 -1.121 8.233 -0.596 563 HA ARG 74 HA ARG 74 -0.708 6.154 1.385 564 1HB ARG 74 HB2 ARG 74 -2.989 8.074 1.469 565 2HB ARG 74 HB1 ARG 74 -3.271 6.378 1.878 566 1HG ARG 74 HG2 ARG 74 -1.967 6.439 3.726 567 2HG ARG 74 HG1 ARG 74 -0.903 7.662 3.080 568 1HD ARG 74 HD2 ARG 74 -3.760 8.287 3.816 569 2HD ARG 74 HD1 ARG 74 -2.459 8.383 5.003 570 HE ARG 74 HE ARG 74 -1.820 9.865 2.594 571 1HH1 ARG 74 HH21 ARG 74 -1.824 10.260 5.804 572 2HH1 ARG 74 HH22 ARG 74 -2.600 11.808 5.851 573 1HH2 ARG 74 HH11 ARG 74 -3.591 11.707 2.530 574 2HH2 ARG 74 HH12 ARG 74 -3.601 12.628 3.998 575 H TYR 75 HN TYR 75 -1.870 4.254 0.817 576 HA TYR 75 HA TYR 75 -3.388 4.324 -1.674 577 1HB TYR 75 HB2 TYR 75 -1.187 2.360 -1.672 578 2HB TYR 75 HB1 TYR 75 -1.965 3.178 -3.026 579 HD1 TYR 75 HD1 TYR 75 -1.473 5.742 -3.274 580 HD2 TYR 75 HD2 TYR 75 0.782 3.075 -0.858 581 HE1 TYR 75 HE1 TYR 75 0.446 7.311 -3.378 582 HE2 TYR 75 HE2 TYR 75 2.733 4.628 -0.927 583 HH TYR 75 HH TYR 75 3.333 6.786 -1.437 584 H LEU 76 HN LEU 76 -5.058 2.897 -1.319 585 HA LEU 76 HA LEU 76 -4.690 0.956 0.770 586 1HB LEU 76 HB2 LEU 76 -6.855 2.079 0.666 587 2HB LEU 76 HB1 LEU 76 -7.104 1.484 -0.958 588 HG LEU 76 HG LEU 76 -6.723 -0.847 0.034 589 1HD1 LEU 76 HD11 LEU 76 -7.720 0.206 2.606 590 2HD1 LEU 76 HD12 LEU 76 -6.017 0.514 2.262 591 3HD1 LEU 76 HD13 LEU 76 -6.627 -1.141 2.285 592 1HD2 LEU 76 HD21 LEU 76 -8.958 0.811 -0.247 593 2HD2 LEU 76 HD22 LEU 76 -9.180 -0.082 1.256 594 3HD2 LEU 76 HD23 LEU 76 -8.907 -0.950 -0.254 595 H ILE 77 HN ILE 77 -4.920 -1.406 0.209 596 HA ILE 77 HA ILE 77 -5.012 -1.933 -2.679 597 HB ILE 77 HB ILE 77 -2.872 -3.092 -0.902 598 1HG1 ILE 77 HG12 ILE 77 -2.910 -0.615 -2.622 599 2HG1 ILE 77 HG11 ILE 77 -2.379 -0.776 -0.952 600 1HG2 ILE 77 HG21 ILE 77 -3.501 -4.353 -2.965 601 2HG2 ILE 77 HG22 ILE 77 -1.856 -3.727 -3.048 602 3HG2 ILE 77 HG23 ILE 77 -3.152 -2.914 -3.922 603 1HD1 ILE 77 HD11 ILE 77 -0.995 -2.135 -3.276 604 2HD1 ILE 77 HD12 ILE 77 -0.426 -2.021 -1.611 605 3HD1 ILE 77 HD13 ILE 77 -0.497 -0.577 -2.620 606 H ARG 78 HN ARG 78 -6.728 -3.320 -2.806 607 HA ARG 78 HA ARG 78 -7.482 -5.039 -0.595 608 1HB ARG 78 HB2 ARG 78 -8.503 -4.362 -3.229 609 2HB ARG 78 HB1 ARG 78 -8.597 -6.101 -2.956 610 1HG ARG 78 HG2 ARG 78 -9.423 -4.967 -0.537 611 2HG ARG 78 HG1 ARG 78 -10.188 -3.975 -1.776 612 1HD ARG 78 HD2 ARG 78 -10.265 -7.000 -1.808 613 2HD ARG 78 HD1 ARG 78 -11.521 -6.013 -1.060 614 HE ARG 78 HE ARG 78 -10.873 -5.435 -3.891 615 1HH1 ARG 78 HH11 ARG 78 -12.394 -8.032 -2.643 616 2HH1 ARG 78 HH12 ARG 78 -13.992 -7.639 -3.185 617 1HH2 ARG 78 HH21 ARG 78 -13.170 -4.400 -4.110 618 2HH2 ARG 78 HH22 ARG 78 -14.431 -5.584 -4.014 619 H LYS 79 HN LYS 79 -6.137 -6.700 -0.004 620 HA LYS 79 HA LYS 79 -4.186 -7.967 -1.635 621 1HB LYS 79 HB2 LYS 79 -4.098 -8.234 0.758 622 2HB LYS 79 HB1 LYS 79 -5.698 -8.972 0.792 623 1HG LYS 79 HG2 LYS 79 -4.159 -10.789 0.931 624 2HG LYS 79 HG1 LYS 79 -4.726 -10.785 -0.739 625 1HD LYS 79 HD2 LYS 79 -2.610 -9.099 -0.955 626 2HD LYS 79 HD1 LYS 79 -2.042 -10.147 0.347 627 1HE LYS 79 HE2 LYS 79 -3.085 -11.101 -2.337 628 2HE LYS 79 HE1 LYS 79 -1.385 -11.027 -1.873 629 1HZ LYS 79 HZ1 LYS 79 -2.407 -13.244 -1.578 630 2HZ LYS 79 HZ2 LYS 79 -3.446 -12.581 -0.408 631 3HZ LYS 79 HZ3 LYS 79 -1.768 -12.603 -0.143 632 H GLY 80 HN GLY 80 -4.398 -9.447 -3.237 633 1HA GLY 80 HA2 GLY 80 -6.488 -11.439 -3.298 634 2HA GLY 80 HA1 GLY 80 -6.818 -10.140 -4.446 635 H GLY 81 HN GLY 81 -6.513 -12.182 -5.895 636 1HA GLY 81 HA2 GLY 81 -3.828 -11.984 -7.066 637 2HA GLY 81 HA1 GLY 81 -4.235 -13.579 -6.429 Start of MODEL 13 1 1H MET 1 HT1 MET 1 -16.656 11.474 -5.818 2 2H MET 1 HT2 MET 1 -15.658 12.529 -4.936 3 3H MET 1 HT3 MET 1 -16.926 11.705 -4.160 4 HA MET 1 HA MET 1 -15.107 9.929 -5.487 5 1HB MET 1 HB2 MET 1 -13.373 10.272 -3.627 6 2HB MET 1 HB1 MET 1 -13.384 11.475 -4.917 7 1HG MET 1 HG2 MET 1 -15.249 12.167 -2.788 8 2HG MET 1 HG1 MET 1 -13.603 11.993 -2.182 9 1HE MET 1 HE1 MET 1 -11.876 12.354 -4.139 10 2HE MET 1 HE2 MET 1 -11.428 13.824 -3.277 11 3HE MET 1 HE3 MET 1 -11.722 13.885 -5.012 12 H THR 2 HN THR 2 -14.867 8.036 -4.120 13 HA THR 2 HA THR 2 -16.946 7.925 -1.979 14 HB THR 2 HB THR 2 -16.399 5.330 -2.429 15 HG1 THR 2 HG1 THR 2 -15.129 5.224 -4.090 16 1HG2 THR 2 HG21 THR 2 -18.096 6.429 -4.562 17 2HG2 THR 2 HG22 THR 2 -18.475 7.055 -2.957 18 3HG2 THR 2 HG23 THR 2 -18.507 5.316 -3.258 19 H ASP 3 HN ASP 3 -16.401 6.571 -0.073 20 HA ASP 3 HA ASP 3 -13.598 7.035 0.736 21 1HB ASP 3 HB2 ASP 3 -15.747 5.765 2.435 22 2HB ASP 3 HB1 ASP 3 -14.333 6.681 2.958 23 H LEU 4 HN LEU 4 -12.374 5.436 -0.295 24 HA LEU 4 HA LEU 4 -13.233 2.608 0.037 25 1HB LEU 4 HB2 LEU 4 -11.244 4.010 -1.738 26 2HB LEU 4 HB1 LEU 4 -11.122 2.272 -1.466 27 HG LEU 4 HG LEU 4 -13.710 3.576 -2.321 28 1HD1 LEU 4 HD11 LEU 4 -12.806 3.952 -4.350 29 2HD1 LEU 4 HD12 LEU 4 -12.573 2.211 -4.509 30 3HD1 LEU 4 HD13 LEU 4 -11.280 3.219 -3.857 31 1HD2 LEU 4 HD21 LEU 4 -13.693 1.062 -3.326 32 2HD2 LEU 4 HD22 LEU 4 -14.297 1.442 -1.714 33 3HD2 LEU 4 HD23 LEU 4 -12.657 0.823 -1.918 34 H PHE 5 HN PHE 5 -11.211 4.922 1.471 35 HA PHE 5 HA PHE 5 -9.202 2.993 2.424 36 1HB PHE 5 HB2 PHE 5 -9.637 5.941 2.651 37 2HB PHE 5 HB1 PHE 5 -8.664 5.151 3.889 38 HD1 PHE 5 HD1 PHE 5 -6.712 6.486 3.063 39 HD2 PHE 5 HD2 PHE 5 -8.710 3.615 0.585 40 HE1 PHE 5 HE1 PHE 5 -4.796 6.448 1.509 41 HE2 PHE 5 HE2 PHE 5 -6.753 3.594 -0.939 42 HZ PHE 5 HZ PHE 5 -4.806 5.076 -0.512 43 H SER 6 HN SER 6 -12.255 3.061 3.138 44 HA SER 6 HA SER 6 -12.732 3.685 5.798 45 1HB SER 6 HB2 SER 6 -14.546 2.766 4.597 46 2HB SER 6 HB1 SER 6 -13.628 1.340 4.125 47 HG SER 6 HG SER 6 -14.747 2.017 6.625 48 H SER 7 HN SER 7 -12.927 1.909 7.622 49 HA SER 7 HA SER 7 -10.398 1.247 8.567 50 1HB SER 7 HB2 SER 7 -11.685 -0.710 9.755 51 2HB SER 7 HB1 SER 7 -12.098 0.958 10.140 52 HG SER 7 HG SER 7 -14.017 0.491 9.451 53 HA PRO 8 HA PRO 8 -9.517 -1.830 5.378 54 1HB PRO 8 HB2 PRO 8 -6.794 -1.663 5.688 55 2HB PRO 8 HB1 PRO 8 -7.737 -0.545 4.692 56 1HG PRO 8 HG2 PRO 8 -6.528 -0.092 7.383 57 2HG PRO 8 HG1 PRO 8 -6.873 1.076 6.098 58 1HD PRO 8 HD2 PRO 8 -8.431 0.679 8.413 59 2HD PRO 8 HD1 PRO 8 -8.943 1.554 6.957 60 H ASP 9 HN ASP 9 -8.225 -3.925 5.515 61 HA ASP 9 HA ASP 9 -8.671 -5.160 8.131 62 1HB ASP 9 HB2 ASP 9 -7.511 -6.234 5.543 63 2HB ASP 9 HB1 ASP 9 -7.799 -7.216 6.980 64 H HIS 10 HN HIS 10 -6.016 -3.756 6.390 65 HA HIS 10 HA HIS 10 -4.242 -4.321 8.701 66 1HB HIS 10 HB2 HIS 10 -3.795 -5.174 5.850 67 2HB HIS 10 HB1 HIS 10 -2.425 -4.811 6.894 68 HD1 HIS 10 HD1 HIS 10 -1.639 -6.725 8.306 69 HD2 HIS 10 HD2 HIS 10 -5.623 -7.176 7.166 70 HE1 HIS 10 HE1 HIS 10 -2.385 -8.979 9.189 71 H THR 11 HN THR 11 -2.058 -3.037 8.261 72 HA THR 11 HA THR 11 -2.531 -0.611 6.629 73 HB THR 11 HB THR 11 -1.760 -0.509 9.544 74 HG1 THR 11 HG1 THR 11 -4.183 0.227 8.272 75 1HG2 THR 11 HG21 THR 11 -2.525 1.994 8.925 76 2HG2 THR 11 HG22 THR 11 -1.957 1.478 7.336 77 3HG2 THR 11 HG23 THR 11 -0.861 1.442 8.718 78 H LEU 12 HN LEU 12 -0.505 0.651 6.391 79 HA LEU 12 HA LEU 12 1.996 -0.744 7.169 80 1HB LEU 12 HB2 LEU 12 1.674 -1.724 5.009 81 2HB LEU 12 HB1 LEU 12 1.135 -0.193 4.326 82 HG LEU 12 HG LEU 12 3.353 0.740 4.347 83 1HD1 LEU 12 HD11 LEU 12 3.869 -1.464 6.345 84 2HD1 LEU 12 HD12 LEU 12 4.186 0.263 6.491 85 3HD1 LEU 12 HD13 LEU 12 5.207 -0.733 5.459 86 1HD2 LEU 12 HD21 LEU 12 3.338 -0.753 2.547 87 2HD2 LEU 12 HD22 LEU 12 3.284 -2.178 3.586 88 3HD2 LEU 12 HD23 LEU 12 4.776 -1.249 3.435 89 H ASP 13 HN ASP 13 3.054 0.942 8.184 90 HA ASP 13 HA ASP 13 2.662 3.697 7.229 91 1HB ASP 13 HB2 ASP 13 2.993 3.405 9.622 92 2HB ASP 13 HB1 ASP 13 4.480 2.495 9.352 93 H ALA 14 HN ALA 14 4.206 4.835 5.936 94 HA ALA 14 HA ALA 14 6.734 3.431 5.356 95 1HB ALA 14 HB1 ALA 14 5.498 4.327 2.876 96 2HB ALA 14 HB2 ALA 14 4.589 3.042 3.676 97 3HB ALA 14 HB3 ALA 14 6.282 2.796 3.261 98 H LEU 15 HN LEU 15 5.550 5.844 6.565 99 HA LEU 15 HA LEU 15 6.573 8.136 5.135 100 1HB LEU 15 HB2 LEU 15 5.943 7.949 8.075 101 2HB LEU 15 HB1 LEU 15 5.883 9.340 7.015 102 HG LEU 15 HG LEU 15 4.098 6.963 6.592 103 1HD1 LEU 15 HD11 LEU 15 3.063 7.585 8.514 104 2HD1 LEU 15 HD12 LEU 15 2.498 8.974 7.587 105 3HD1 LEU 15 HD13 LEU 15 3.939 9.113 8.593 106 1HD2 LEU 15 HD21 LEU 15 2.840 9.192 5.654 107 2HD2 LEU 15 HD22 LEU 15 3.868 8.157 4.665 108 3HD2 LEU 15 HD23 LEU 15 4.528 9.626 5.384 109 H GLY 16 HN GLY 16 8.723 8.205 4.916 110 1HA GLY 16 HA2 GLY 16 10.954 8.530 5.788 111 2HA GLY 16 HA1 GLY 16 10.427 7.795 7.309 112 H LEU 17 HN LEU 17 9.050 5.868 5.113 113 HA LEU 17 HA LEU 17 11.193 3.851 5.241 114 1HB LEU 17 HB2 LEU 17 8.319 3.757 4.270 115 2HB LEU 17 HB1 LEU 17 9.424 2.392 4.186 116 HG LEU 17 HG LEU 17 8.097 3.619 6.552 117 1HD1 LEU 17 HD11 LEU 17 8.140 1.156 7.173 118 2HD1 LEU 17 HD12 LEU 17 8.905 0.854 5.613 119 3HD1 LEU 17 HD13 LEU 17 7.274 1.523 5.681 120 1HD2 LEU 17 HD21 LEU 17 9.849 2.413 7.966 121 2HD2 LEU 17 HD22 LEU 17 10.345 3.945 7.246 122 3HD2 LEU 17 HD23 LEU 17 10.864 2.422 6.525 123 H ARG 18 HN ARG 18 12.077 2.994 3.304 124 HA ARG 18 HA ARG 18 11.127 4.315 0.832 125 1HB ARG 18 HB2 ARG 18 13.604 4.721 0.234 126 2HB ARG 18 HB1 ARG 18 12.788 5.815 1.353 127 1HG ARG 18 HG2 ARG 18 13.946 5.026 3.199 128 2HG ARG 18 HG1 ARG 18 14.199 3.433 2.485 129 1HD ARG 18 HD2 ARG 18 16.056 4.105 1.295 130 2HD ARG 18 HD1 ARG 18 15.482 5.764 1.133 131 HE ARG 18 HE ARG 18 16.530 6.278 3.192 132 1HH1 ARG 18 HH21 ARG 18 18.646 4.338 2.603 133 2HH1 ARG 18 HH22 ARG 18 18.610 3.278 3.972 134 1HH2 ARG 18 HH11 ARG 18 15.456 4.283 5.002 135 2HH2 ARG 18 HH12 ARG 18 16.804 3.247 5.331 136 H CYS 19 HN CYS 19 11.587 3.142 -1.035 137 HA CYS 19 HA CYS 19 11.502 0.363 -0.870 138 1HB CYS 19 HB2 CYS 19 11.072 1.362 -2.974 139 2HB CYS 19 HB1 CYS 19 12.656 2.129 -3.031 140 HG CYS 19 HG CYS 19 12.229 -0.389 -4.328 141 HA PRO 20 HA PRO 20 11.964 -1.422 -1.518 142 1HB PRO 20 HB2 PRO 20 12.878 -3.787 -0.506 143 2HB PRO 20 HB1 PRO 20 13.406 -3.147 -2.072 144 1HG PRO 20 HG2 PRO 20 14.900 -3.272 0.499 145 2HG PRO 20 HG1 PRO 20 15.524 -3.206 -1.154 146 1HD PRO 20 HD2 PRO 20 15.348 -1.044 0.700 147 2HD PRO 20 HD1 PRO 20 15.807 -0.945 -1.014 148 H GLU 21 HN GLU 21 13.004 -0.402 1.470 149 HA GLU 21 HA GLU 21 11.949 -2.130 3.371 150 1HB GLU 21 HB2 GLU 21 12.273 0.812 3.367 151 2HB GLU 21 HB1 GLU 21 11.579 0.006 4.765 152 1HG GLU 21 HG2 GLU 21 13.637 -0.583 5.451 153 2HG GLU 21 HG1 GLU 21 13.896 -1.456 3.939 154 HA PRO 22 HA PRO 22 7.702 0.003 3.320 155 1HB PRO 22 HB2 PRO 22 7.095 1.334 0.987 156 2HB PRO 22 HB1 PRO 22 7.765 2.119 2.415 157 1HG PRO 22 HG2 PRO 22 9.120 1.399 -0.138 158 2HG PRO 22 HG1 PRO 22 9.483 2.715 0.992 159 1HD PRO 22 HD2 PRO 22 10.908 0.324 0.815 160 2HD PRO 22 HD1 PRO 22 10.941 1.411 2.211 161 H VAL 23 HN VAL 23 8.492 -0.454 -0.096 162 HA VAL 23 HA VAL 23 6.387 -2.138 -0.854 163 HB VAL 23 HB VAL 23 9.313 -2.399 -1.603 164 1HG1 VAL 23 HG11 VAL 23 6.774 -3.577 -2.659 165 2HG1 VAL 23 HG12 VAL 23 8.376 -4.303 -2.524 166 3HG1 VAL 23 HG13 VAL 23 8.036 -3.150 -3.814 167 1HG2 VAL 23 HG21 VAL 23 7.810 -1.120 -3.634 168 2HG2 VAL 23 HG22 VAL 23 9.056 -0.402 -2.616 169 3HG2 VAL 23 HG23 VAL 23 7.365 -0.332 -2.121 170 H MET 24 HN MET 24 9.151 -2.752 1.216 171 HA MET 24 HA MET 24 8.963 -5.654 1.116 172 1HB MET 24 HB2 MET 24 10.400 -3.644 2.810 173 2HB MET 24 HB1 MET 24 10.276 -5.303 3.390 174 1HG MET 24 HG2 MET 24 11.490 -6.164 1.579 175 2HG MET 24 HG1 MET 24 11.165 -4.757 0.567 176 1HE MET 24 HE1 MET 24 14.153 -6.374 2.473 177 2HE MET 24 HE2 MET 24 12.696 -6.307 3.460 178 3HE MET 24 HE3 MET 24 14.115 -5.375 3.932 179 H MET 25 HN MET 25 7.775 -3.158 3.370 180 HA MET 25 HA MET 25 6.660 -4.949 5.280 181 1HB MET 25 HB2 MET 25 6.087 -2.102 4.494 182 2HB MET 25 HB1 MET 25 5.023 -2.927 5.633 183 1HG MET 25 HG2 MET 25 8.029 -2.670 5.943 184 2HG MET 25 HG1 MET 25 6.837 -1.686 6.793 185 1HE MET 25 HE1 MET 25 5.632 -3.541 9.623 186 2HE MET 25 HE2 MET 25 4.670 -3.163 8.197 187 3HE MET 25 HE3 MET 25 5.922 -2.043 8.728 188 H VAL 26 HN VAL 26 5.255 -3.502 2.335 189 HA VAL 26 HA VAL 26 2.652 -4.656 2.677 190 HB VAL 26 HB VAL 26 4.172 -3.930 0.159 191 1HG1 VAL 26 HG11 VAL 26 1.247 -3.959 0.007 192 2HG1 VAL 26 HG12 VAL 26 1.914 -5.557 0.324 193 3HG1 VAL 26 HG13 VAL 26 2.428 -4.657 -1.099 194 1HG2 VAL 26 HG21 VAL 26 2.224 -2.119 0.324 195 2HG2 VAL 26 HG22 VAL 26 3.746 -1.905 1.187 196 3HG2 VAL 26 HG23 VAL 26 2.327 -2.516 2.038 197 H ARG 27 HN ARG 27 5.690 -5.954 1.508 198 HA ARG 27 HA ARG 27 4.626 -8.273 0.193 199 1HB ARG 27 HB2 ARG 27 7.282 -7.630 1.440 200 2HB ARG 27 HB1 ARG 27 6.923 -9.280 0.912 201 1HG ARG 27 HG2 ARG 27 6.307 -7.053 -0.975 202 2HG ARG 27 HG1 ARG 27 7.999 -7.488 -0.747 203 1HD ARG 27 HD2 ARG 27 6.263 -9.826 -1.041 204 2HD ARG 27 HD1 ARG 27 6.232 -8.773 -2.452 205 HE ARG 27 HE ARG 27 8.947 -9.138 -1.681 206 1HH1 ARG 27 HH21 ARG 27 8.081 -11.944 -1.289 207 2HH1 ARG 27 HH22 ARG 27 8.228 -12.616 -2.878 208 1HH2 ARG 27 HH11 ARG 27 8.347 -9.530 -4.458 209 2HH2 ARG 27 HH12 ARG 27 8.379 -11.249 -4.673 210 H LYS 28 HN LYS 28 6.000 -7.937 3.438 211 HA LYS 28 HA LYS 28 5.344 -10.555 4.352 212 1HB LYS 28 HB2 LYS 28 5.522 -8.026 6.023 213 2HB LYS 28 HB1 LYS 28 5.701 -9.682 6.604 214 1HG LYS 28 HG2 LYS 28 7.495 -8.431 4.507 215 2HG LYS 28 HG1 LYS 28 7.891 -8.497 6.225 216 1HD LYS 28 HD2 LYS 28 7.168 -10.982 4.666 217 2HD LYS 28 HD1 LYS 28 8.827 -10.387 4.750 218 1HE LYS 28 HE2 LYS 28 7.196 -10.809 7.251 219 2HE LYS 28 HE1 LYS 28 8.096 -12.134 6.514 220 1HZ LYS 28 HZ1 LYS 28 9.069 -10.134 8.183 221 2HZ LYS 28 HZ2 LYS 28 9.736 -9.853 6.646 222 3HZ LYS 28 HZ3 LYS 28 9.948 -11.358 7.406 223 H THR 29 HN THR 29 3.622 -7.491 4.617 224 HA THR 29 HA THR 29 1.319 -8.428 6.022 225 HB THR 29 HB THR 29 2.123 -6.139 4.324 226 HG1 THR 29 HG1 THR 29 2.109 -6.498 6.761 227 1HG2 THR 29 HG21 THR 29 -0.059 -5.155 4.180 228 2HG2 THR 29 HG22 THR 29 -0.781 -6.494 5.070 229 3HG2 THR 29 HG23 THR 29 -0.143 -6.753 3.445 230 H VAL 30 HN VAL 30 2.302 -8.355 2.688 231 HA VAL 30 HA VAL 30 -0.208 -9.188 1.518 232 HB VAL 30 HB VAL 30 2.678 -9.079 0.657 233 1HG1 VAL 30 HG11 VAL 30 1.813 -11.163 -0.284 234 2HG1 VAL 30 HG12 VAL 30 2.020 -9.952 -1.551 235 3HG1 VAL 30 HG13 VAL 30 0.411 -10.305 -0.921 236 1HG2 VAL 30 HG21 VAL 30 0.289 -7.961 -0.799 237 2HG2 VAL 30 HG22 VAL 30 1.954 -7.383 -0.804 238 3HG2 VAL 30 HG23 VAL 30 0.935 -7.125 0.612 239 H ARG 31 HN ARG 31 2.532 -10.687 2.996 240 HA ARG 31 HA ARG 31 1.943 -13.411 2.163 241 1HB ARG 31 HB2 ARG 31 3.681 -12.267 4.369 242 2HB ARG 31 HB1 ARG 31 3.612 -13.982 3.960 243 1HG ARG 31 HG2 ARG 31 4.496 -13.574 1.753 244 2HG ARG 31 HG1 ARG 31 4.331 -11.834 1.944 245 1HD ARG 31 HD2 ARG 31 6.647 -13.199 2.396 246 2HD ARG 31 HD1 ARG 31 6.256 -11.653 3.145 247 HE ARG 31 HE ARG 31 6.139 -12.793 5.197 248 1HH1 ARG 31 HH21 ARG 31 6.583 -15.046 2.713 249 2HH1 ARG 31 HH22 ARG 31 6.019 -16.406 3.624 250 1HH2 ARG 31 HH11 ARG 31 4.968 -14.501 6.323 251 2HH2 ARG 31 HH12 ARG 31 5.105 -16.098 5.667 252 H ASN 32 HN ASN 32 1.088 -11.261 4.810 253 HA ASN 32 HA ASN 32 -0.308 -13.527 6.163 254 1HB ASN 32 HB2 ASN 32 -0.471 -12.092 8.110 255 2HB ASN 32 HB1 ASN 32 1.194 -12.061 7.534 256 1HD2 ASN 32 HD21 ASN 32 1.504 -9.918 8.526 257 2HD2 ASN 32 HD22 ASN 32 0.836 -8.529 7.816 258 H MET 33 HN MET 33 -0.980 -11.341 3.820 259 HA MET 33 HA MET 33 -3.642 -10.555 4.806 260 1HB MET 33 HB2 MET 33 -1.964 -9.894 2.431 261 2HB MET 33 HB1 MET 33 -3.713 -9.775 2.242 262 1HG MET 33 HG2 MET 33 -3.492 -8.517 4.592 263 2HG MET 33 HG1 MET 33 -1.881 -8.175 3.971 264 1HE MET 33 HE1 MET 33 -5.279 -8.822 2.556 265 2HE MET 33 HE2 MET 33 -5.780 -7.356 1.720 266 3HE MET 33 HE3 MET 33 -5.801 -7.410 3.480 267 H GLN 34 HN GLN 34 -5.513 -10.952 3.275 268 HA GLN 34 HA GLN 34 -5.358 -13.675 2.057 269 1HB GLN 34 HB2 GLN 34 -7.424 -12.514 3.933 270 2HB GLN 34 HB1 GLN 34 -7.818 -13.847 2.847 271 1HG GLN 34 HG2 GLN 34 -6.241 -15.293 3.864 272 2HG GLN 34 HG1 GLN 34 -5.415 -13.958 4.670 273 1HE2 GLN 34 HE21 GLN 34 -5.783 -14.364 6.877 274 2HE2 GLN 34 HE22 GLN 34 -7.318 -14.605 7.561 275 HA PRO 35 HA PRO 35 -7.120 -11.715 -1.416 276 1HB PRO 35 HB2 PRO 35 -8.625 -13.783 -2.460 277 2HB PRO 35 HB1 PRO 35 -6.865 -13.653 -2.619 278 1HG PRO 35 HG2 PRO 35 -8.465 -15.410 -0.800 279 2HG PRO 35 HG1 PRO 35 -6.872 -15.699 -1.520 280 1HD PRO 35 HD2 PRO 35 -7.296 -14.910 1.132 281 2HD PRO 35 HD1 PRO 35 -5.766 -14.712 0.249 282 H GLY 36 HN GLY 36 -8.722 -10.258 -1.372 283 1HA GLY 36 HA2 GLY 36 -11.076 -9.648 -1.427 284 2HA GLY 36 HA1 GLY 36 -11.421 -11.058 -0.416 285 H GLU 37 HN GLU 37 -8.590 -9.241 0.346 286 HA GLU 37 HA GLU 37 -10.024 -8.066 2.699 287 1HB GLU 37 HB2 GLU 37 -7.394 -9.449 2.413 288 2HB GLU 37 HB1 GLU 37 -7.509 -8.137 3.579 289 1HG GLU 37 HG2 GLU 37 -8.042 -10.318 4.623 290 2HG GLU 37 HG1 GLU 37 -9.433 -9.233 4.649 291 H THR 38 HN THR 38 -8.279 -6.257 3.636 292 HA THR 38 HA THR 38 -7.381 -4.632 1.317 293 HB THR 38 HB THR 38 -8.414 -2.642 2.739 294 HG1 THR 38 HG1 THR 38 -9.830 -3.271 4.141 295 1HG2 THR 38 HG21 THR 38 -9.682 -2.486 0.887 296 2HG2 THR 38 HG22 THR 38 -10.612 -3.912 1.347 297 3HG2 THR 38 HG23 THR 38 -9.114 -4.095 0.435 298 H LEU 39 HN LEU 39 -5.803 -3.057 1.830 299 HA LEU 39 HA LEU 39 -4.660 -3.076 4.581 300 1HB LEU 39 HB2 LEU 39 -3.370 -4.795 3.521 301 2HB LEU 39 HB1 LEU 39 -3.234 -3.871 2.027 302 HG LEU 39 HG LEU 39 -2.086 -2.098 3.664 303 1HD1 LEU 39 HD11 LEU 39 -2.161 -3.105 5.746 304 2HD1 LEU 39 HD12 LEU 39 -0.589 -3.660 5.175 305 3HD1 LEU 39 HD13 LEU 39 -1.989 -4.728 5.083 306 1HD2 LEU 39 HD21 LEU 39 -1.027 -3.087 1.690 307 2HD2 LEU 39 HD22 LEU 39 -0.764 -4.595 2.562 308 3HD2 LEU 39 HD23 LEU 39 0.097 -3.134 3.048 309 H LEU 40 HN LEU 40 -4.577 -0.892 5.045 310 HA LEU 40 HA LEU 40 -4.357 1.062 2.856 311 1HB LEU 40 HB2 LEU 40 -5.936 1.613 4.595 312 2HB LEU 40 HB1 LEU 40 -4.731 1.339 5.853 313 HG LEU 40 HG LEU 40 -3.379 3.202 4.607 314 1HD1 LEU 40 HD11 LEU 40 -5.700 3.065 3.001 315 2HD1 LEU 40 HD12 LEU 40 -4.404 4.257 2.903 316 3HD1 LEU 40 HD13 LEU 40 -5.820 4.573 3.906 317 1HD2 LEU 40 HD21 LEU 40 -5.456 4.739 5.779 318 2HD2 LEU 40 HD22 LEU 40 -3.945 4.226 6.532 319 3HD2 LEU 40 HD23 LEU 40 -5.388 3.220 6.672 320 H ILE 41 HN ILE 41 -2.542 2.412 2.581 321 HA ILE 41 HA ILE 41 -0.208 1.827 4.346 322 HB ILE 41 HB ILE 41 0.037 2.123 1.352 323 1HG1 ILE 41 HG12 ILE 41 -0.671 -0.300 3.007 324 2HG1 ILE 41 HG11 ILE 41 -1.333 0.224 1.467 325 1HG2 ILE 41 HG21 ILE 41 1.922 0.417 2.780 326 2HG2 ILE 41 HG22 ILE 41 1.870 2.040 3.465 327 3HG2 ILE 41 HG23 ILE 41 2.237 1.815 1.755 328 1HD1 ILE 41 HD11 ILE 41 0.725 -0.362 0.308 329 2HD1 ILE 41 HD12 ILE 41 0.173 -1.756 1.236 330 3HD1 ILE 41 HD13 ILE 41 1.503 -0.768 1.838 331 H ILE 42 HN ILE 42 1.340 3.544 4.482 332 HA ILE 42 HA ILE 42 0.499 6.103 3.232 333 HB ILE 42 HB ILE 42 1.799 5.870 5.951 334 1HG1 ILE 42 HG12 ILE 42 -1.067 5.652 5.126 335 2HG1 ILE 42 HG11 ILE 42 -0.231 4.892 6.481 336 1HG2 ILE 42 HG21 ILE 42 1.912 8.000 4.545 337 2HG2 ILE 42 HG22 ILE 42 1.208 8.188 6.147 338 3HG2 ILE 42 HG23 ILE 42 0.164 8.110 4.728 339 1HD1 ILE 42 HD11 ILE 42 -1.463 6.477 7.615 340 2HD1 ILE 42 HD12 ILE 42 -1.418 7.620 6.272 341 3HD1 ILE 42 HD13 ILE 42 0.003 7.403 7.291 342 H ALA 43 HN ALA 43 2.398 7.505 2.889 343 HA ALA 43 HA ALA 43 5.033 6.329 3.258 344 1HB ALA 43 HB1 ALA 43 4.494 6.783 0.382 345 2HB ALA 43 HB2 ALA 43 3.728 5.357 1.082 346 3HB ALA 43 HB3 ALA 43 5.480 5.545 1.162 347 H ASP 44 HN ASP 44 6.438 7.972 3.413 348 HA ASP 44 HA ASP 44 5.581 10.585 2.280 349 1HB ASP 44 HB2 ASP 44 6.638 11.691 3.994 350 2HB ASP 44 HB1 ASP 44 6.230 10.224 4.855 351 H ASP 45 HN ASP 45 7.887 8.017 2.359 352 HA ASP 45 HA ASP 45 10.012 9.268 0.918 353 1HB ASP 45 HB2 ASP 45 10.481 7.179 1.812 354 2HB ASP 45 HB1 ASP 45 8.977 6.504 1.222 355 HA PRO 46 HA PRO 46 7.963 9.910 -2.942 356 1HB PRO 46 HB2 PRO 46 10.208 10.361 -4.465 357 2HB PRO 46 HB1 PRO 46 9.528 11.555 -3.345 358 1HG PRO 46 HG2 PRO 46 11.973 9.877 -3.045 359 2HG PRO 46 HG1 PRO 46 11.590 11.442 -2.310 360 1HD PRO 46 HD2 PRO 46 11.429 8.918 -1.032 361 2HD PRO 46 HD1 PRO 46 10.762 10.440 -0.421 362 H ALA 47 HN ALA 47 10.337 7.467 -2.434 363 HA ALA 47 HA ALA 47 9.899 6.199 -5.065 364 1HB ALA 47 HB1 ALA 47 11.926 6.093 -3.039 365 2HB ALA 47 HB2 ALA 47 11.953 5.380 -4.653 366 3HB ALA 47 HB3 ALA 47 11.303 4.463 -3.295 367 H THR 48 HN THR 48 8.197 6.275 -2.206 368 HA THR 48 HA THR 48 7.446 3.421 -2.218 369 HB THR 48 HB THR 48 5.740 4.351 -0.460 370 HG1 THR 48 HG1 THR 48 7.565 6.377 -0.051 371 1HG2 THR 48 HG21 THR 48 8.324 4.836 0.740 372 2HG2 THR 48 HG22 THR 48 8.396 3.448 -0.343 373 3HG2 THR 48 HG23 THR 48 7.226 3.478 0.976 374 H THR 49 HN THR 49 6.010 6.565 -3.046 375 HA THR 49 HA THR 49 3.390 5.659 -3.665 376 HB THR 49 HB THR 49 3.059 7.709 -4.685 377 HG1 THR 49 HG1 THR 49 4.576 8.623 -6.069 378 1HG2 THR 49 HG21 THR 49 4.688 7.839 -2.535 379 2HG2 THR 49 HG22 THR 49 4.102 9.268 -3.386 380 3HG2 THR 49 HG23 THR 49 5.710 8.632 -3.733 381 H ARG 50 HN ARG 50 6.414 5.459 -5.413 382 HA ARG 50 HA ARG 50 5.013 4.351 -7.788 383 1HB ARG 50 HB2 ARG 50 7.853 5.198 -7.247 384 2HB ARG 50 HB1 ARG 50 7.404 4.327 -8.713 385 1HG ARG 50 HG2 ARG 50 5.476 6.330 -8.516 386 2HG ARG 50 HG1 ARG 50 6.969 7.131 -8.026 387 1HD ARG 50 HD2 ARG 50 6.540 5.554 -10.581 388 2HD ARG 50 HD1 ARG 50 6.711 7.305 -10.452 389 HE ARG 50 HE ARG 50 9.036 6.432 -9.316 390 1HH1 ARG 50 HH21 ARG 50 8.292 3.958 -11.085 391 2HH1 ARG 50 HH22 ARG 50 9.298 4.272 -12.460 392 1HH2 ARG 50 HH11 ARG 50 9.939 7.563 -11.575 393 2HH2 ARG 50 HH12 ARG 50 10.231 6.313 -12.737 394 H ASP 51 HN ASP 51 7.357 3.298 -5.341 395 HA ASP 51 HA ASP 51 7.600 0.672 -6.626 396 1HB ASP 51 HB2 ASP 51 8.748 1.821 -4.072 397 2HB ASP 51 HB1 ASP 51 9.094 0.190 -4.655 398 H ILE 52 HN ILE 52 6.242 1.843 -3.526 399 HA ILE 52 HA ILE 52 5.567 -0.679 -2.492 400 HB ILE 52 HB ILE 52 4.533 2.078 -2.095 401 1HG1 ILE 52 HG12 ILE 52 5.646 -0.154 -0.398 402 2HG1 ILE 52 HG11 ILE 52 6.384 1.405 -0.767 403 1HG2 ILE 52 HG21 ILE 52 2.790 1.236 -0.510 404 2HG2 ILE 52 HG22 ILE 52 3.074 -0.397 -1.113 405 3HG2 ILE 52 HG23 ILE 52 2.423 0.839 -2.189 406 1HD1 ILE 52 HD11 ILE 52 4.591 0.721 1.387 407 2HD1 ILE 52 HD12 ILE 52 3.874 1.985 0.389 408 3HD1 ILE 52 HD13 ILE 52 5.463 2.229 1.110 409 HA PRO 53 HA PRO 53 1.428 -0.550 -4.766 410 1HB PRO 53 HB2 PRO 53 1.220 1.235 -6.840 411 2HB PRO 53 HB1 PRO 53 0.651 1.539 -5.189 412 1HG PRO 53 HG2 PRO 53 3.058 2.610 -6.587 413 2HG PRO 53 HG1 PRO 53 2.133 3.321 -5.254 414 1HD PRO 53 HD2 PRO 53 4.605 1.997 -5.009 415 2HD PRO 53 HD1 PRO 53 3.496 2.367 -3.671 416 H GLY 54 HN GLY 54 4.007 0.567 -6.986 417 1HA GLY 54 HA2 GLY 54 3.421 -1.140 -9.132 418 2HA GLY 54 HA1 GLY 54 5.074 -0.664 -8.701 419 H PHE 55 HN PHE 55 4.647 -1.873 -5.949 420 HA PHE 55 HA PHE 55 5.531 -4.565 -6.679 421 1HB PHE 55 HB2 PHE 55 6.638 -3.931 -4.756 422 2HB PHE 55 HB1 PHE 55 5.286 -2.966 -4.168 423 HD1 PHE 55 HD1 PHE 55 5.322 -6.547 -5.268 424 HD2 PHE 55 HD2 PHE 55 4.856 -3.797 -2.010 425 HE1 PHE 55 HE1 PHE 55 4.570 -8.398 -3.815 426 HE2 PHE 55 HE2 PHE 55 4.109 -5.656 -0.566 427 HZ PHE 55 HZ PHE 55 3.955 -7.956 -1.466 428 H CYS 56 HN CYS 56 2.718 -3.255 -4.834 429 HA CYS 56 HA CYS 56 1.405 -5.715 -4.464 430 1HB CYS 56 HB2 CYS 56 0.397 -2.907 -4.859 431 2HB CYS 56 HB1 CYS 56 -0.720 -4.249 -4.603 432 HG CYS 56 HG CYS 56 1.416 -3.323 -2.518 433 H THR 57 HN THR 57 1.446 -3.627 -7.319 434 HA THR 57 HA THR 57 -0.577 -5.071 -8.762 435 HB THR 57 HB THR 57 1.776 -3.574 -9.939 436 HG1 THR 57 HG1 THR 57 0.718 -1.765 -9.524 437 1HG2 THR 57 HG21 THR 57 0.269 -5.006 -11.410 438 2HG2 THR 57 HG22 THR 57 0.376 -3.302 -11.855 439 3HG2 THR 57 HG23 THR 57 -1.040 -3.901 -10.989 440 H PHE 58 HN PHE 58 2.889 -5.533 -8.383 441 HA PHE 58 HA PHE 58 3.158 -7.482 -10.496 442 1HB PHE 58 HB2 PHE 58 4.962 -6.055 -9.194 443 2HB PHE 58 HB1 PHE 58 4.995 -7.465 -8.135 444 HD1 PHE 58 HD1 PHE 58 6.360 -6.052 -11.058 445 HD2 PHE 58 HD2 PHE 58 5.061 -9.804 -9.420 446 HE1 PHE 58 HE1 PHE 58 7.766 -7.259 -12.707 447 HE2 PHE 58 HE2 PHE 58 6.466 -11.011 -11.068 448 HZ PHE 58 HZ PHE 58 7.818 -9.738 -12.711 449 H MET 59 HN MET 59 2.334 -7.752 -7.054 450 HA MET 59 HA MET 59 2.601 -10.678 -7.206 451 1HB MET 59 HB2 MET 59 2.219 -8.725 -5.048 452 2HB MET 59 HB1 MET 59 1.569 -10.335 -4.775 453 1HG MET 59 HG2 MET 59 3.888 -11.147 -5.651 454 2HG MET 59 HG1 MET 59 4.420 -9.509 -5.274 455 1HE MET 59 HE1 MET 59 3.152 -12.905 -2.566 456 2HE MET 59 HE2 MET 59 4.462 -12.993 -3.741 457 3HE MET 59 HE3 MET 59 2.821 -12.658 -4.286 458 H GLU 60 HN GLU 60 0.299 -8.744 -8.364 459 HA GLU 60 HA GLU 60 -1.839 -9.383 -9.165 460 1HB GLU 60 HB2 GLU 60 -0.864 -11.802 -8.284 461 2HB GLU 60 HB1 GLU 60 -2.313 -11.597 -7.298 462 1HG GLU 60 HG2 GLU 60 -3.664 -11.981 -9.062 463 2HG GLU 60 HG1 GLU 60 -2.792 -10.816 -10.060 464 H HIS 61 HN HIS 61 -1.196 -7.733 -6.737 465 HA HIS 61 HA HIS 61 -3.645 -8.080 -5.118 466 1HB HIS 61 HB2 HIS 61 -1.393 -6.077 -4.780 467 2HB HIS 61 HB1 HIS 61 -2.620 -6.513 -3.597 468 HD1 HIS 61 HD1 HIS 61 -2.117 -9.633 -4.858 469 HD2 HIS 61 HD2 HIS 61 0.413 -7.168 -2.647 470 HE1 HIS 61 HE1 HIS 61 -0.386 -11.144 -3.811 471 H GLU 62 HN GLU 62 -4.718 -5.783 -4.598 472 HA GLU 62 HA GLU 62 -4.824 -4.295 -7.190 473 1HB GLU 62 HB2 GLU 62 -6.971 -5.339 -5.429 474 2HB GLU 62 HB1 GLU 62 -7.253 -3.789 -6.204 475 1HG GLU 62 HG2 GLU 62 -6.246 -6.146 -7.795 476 2HG GLU 62 HG1 GLU 62 -7.969 -5.951 -7.473 477 H LEU 63 HN LEU 63 -4.842 -2.123 -7.083 478 HA LEU 63 HA LEU 63 -4.214 -0.847 -4.491 479 1HB LEU 63 HB2 LEU 63 -2.858 0.087 -6.164 480 2HB LEU 63 HB1 LEU 63 -4.112 -0.048 -7.392 481 HG LEU 63 HG LEU 63 -5.380 1.755 -6.054 482 1HD1 LEU 63 HD11 LEU 63 -2.987 2.980 -5.049 483 2HD1 LEU 63 HD12 LEU 63 -3.133 1.368 -4.348 484 3HD1 LEU 63 HD13 LEU 63 -4.443 2.534 -4.161 485 1HD2 LEU 63 HD21 LEU 63 -4.572 3.214 -7.590 486 2HD2 LEU 63 HD22 LEU 63 -3.561 1.872 -8.124 487 3HD2 LEU 63 HD23 LEU 63 -2.921 3.060 -6.990 488 H VAL 64 HN VAL 64 -6.162 -0.723 -3.305 489 HA VAL 64 HA VAL 64 -8.661 -0.396 -4.627 490 HB VAL 64 HB VAL 64 -7.771 -0.240 -1.750 491 1HG1 VAL 64 HG11 VAL 64 -10.482 -0.067 -3.039 492 2HG1 VAL 64 HG12 VAL 64 -9.778 1.018 -1.839 493 3HG1 VAL 64 HG13 VAL 64 -10.270 -0.613 -1.378 494 1HG2 VAL 64 HG21 VAL 64 -8.055 -2.365 -3.509 495 2HG2 VAL 64 HG22 VAL 64 -9.590 -2.349 -2.641 496 3HG2 VAL 64 HG23 VAL 64 -8.075 -2.477 -1.749 497 H ALA 65 HN ALA 65 -6.706 1.964 -2.652 498 HA ALA 65 HA ALA 65 -7.999 4.068 -4.325 499 1HB ALA 65 HB1 ALA 65 -8.104 5.193 -1.777 500 2HB ALA 65 HB2 ALA 65 -8.682 3.543 -1.543 501 3HB ALA 65 HB3 ALA 65 -9.477 4.598 -2.711 502 H LYS 66 HN LYS 66 -6.446 5.608 -4.882 503 HA LYS 66 HA LYS 66 -3.945 5.560 -3.323 504 1HB LYS 66 HB2 LYS 66 -4.284 7.140 -5.811 505 2HB LYS 66 HB1 LYS 66 -2.862 6.283 -5.216 506 1HG LYS 66 HG2 LYS 66 -3.507 4.814 -6.792 507 2HG LYS 66 HG1 LYS 66 -4.526 4.215 -5.515 508 1HD LYS 66 HD2 LYS 66 -6.234 4.521 -6.975 509 2HD LYS 66 HD1 LYS 66 -6.053 6.235 -6.596 510 1HE LYS 66 HE2 LYS 66 -4.152 6.075 -8.457 511 2HE LYS 66 HE1 LYS 66 -5.140 4.719 -9.004 512 1HZ LYS 66 HZ1 LYS 66 -5.906 7.560 -8.731 513 2HZ LYS 66 HZ2 LYS 66 -7.077 6.330 -8.798 514 3HZ LYS 66 HZ3 LYS 66 -6.010 6.564 -10.100 515 H GLU 67 HN GLU 67 -2.925 7.494 -2.787 516 HA GLU 67 HA GLU 67 -4.599 9.927 -2.709 517 1HB GLU 67 HB2 GLU 67 -3.685 8.329 -0.439 518 2HB GLU 67 HB1 GLU 67 -3.490 10.051 -0.265 519 1HG GLU 67 HG2 GLU 67 -5.665 9.952 0.445 520 2HG GLU 67 HG1 GLU 67 -5.999 9.956 -1.283 521 H THR 68 HN THR 68 -3.381 11.375 -3.775 522 HA THR 68 HA THR 68 -0.512 11.674 -2.989 523 HB THR 68 HB THR 68 0.217 11.776 -5.225 524 HG1 THR 68 HG1 THR 68 -2.332 11.675 -6.334 525 1HG2 THR 68 HG21 THR 68 -2.051 9.788 -5.432 526 2HG2 THR 68 HG22 THR 68 -0.599 9.481 -4.480 527 3HG2 THR 68 HG23 THR 68 -0.478 9.716 -6.224 528 H ASP 69 HN ASP 69 -2.934 13.085 -2.177 529 HA ASP 69 HA ASP 69 -3.019 15.601 -3.652 530 1HB ASP 69 HB2 ASP 69 -4.116 14.895 -0.924 531 2HB ASP 69 HB1 ASP 69 -4.531 16.339 -1.849 532 H GLY 70 HN GLY 70 -0.683 14.402 -1.819 533 1HA GLY 70 HA2 GLY 70 1.136 16.194 -1.539 534 2HA GLY 70 HA1 GLY 70 -0.017 16.902 -0.440 535 H LEU 71 HN LEU 71 2.601 15.237 -0.449 536 HA LEU 71 HA LEU 71 2.555 12.925 0.946 537 1HB LEU 71 HB2 LEU 71 4.295 15.321 1.524 538 2HB LEU 71 HB1 LEU 71 4.551 13.752 2.256 539 HG LEU 71 HG LEU 71 4.238 13.816 -0.673 540 1HD1 LEU 71 HD11 LEU 71 6.879 14.139 -0.597 541 2HD1 LEU 71 HD12 LEU 71 6.484 15.072 0.846 542 3HD1 LEU 71 HD13 LEU 71 5.800 15.529 -0.714 543 1HD2 LEU 71 HD21 LEU 71 5.816 12.274 1.379 544 2HD2 LEU 71 HD22 LEU 71 6.142 12.112 -0.346 545 3HD2 LEU 71 HD23 LEU 71 4.559 11.675 0.297 546 HA PRO 72 HA PRO 72 3.423 11.904 2.401 547 1HB PRO 72 HB2 PRO 72 2.414 9.936 3.992 548 2HB PRO 72 HB1 PRO 72 3.663 11.068 4.552 549 1HG PRO 72 HG2 PRO 72 0.756 11.008 5.179 550 2HG PRO 72 HG1 PRO 72 2.095 11.591 6.186 551 1HD PRO 72 HD2 PRO 72 0.318 13.219 4.707 552 2HD PRO 72 HD1 PRO 72 1.886 13.741 5.365 553 H TYR 73 HN TYR 73 2.831 10.289 0.939 554 HA TYR 73 HA TYR 73 0.226 10.371 -0.245 555 1HB TYR 73 HB2 TYR 73 2.095 8.103 -0.631 556 2HB TYR 73 HB1 TYR 73 1.018 8.844 -1.806 557 HD1 TYR 73 HD1 TYR 73 4.250 8.729 -0.404 558 HD2 TYR 73 HD2 TYR 73 1.567 11.246 -2.570 559 HE1 TYR 73 HE1 TYR 73 6.181 10.039 -1.219 560 HE2 TYR 73 HE2 TYR 73 3.466 12.614 -3.366 561 HH TYR 73 HH TYR 73 5.970 12.226 -3.753 562 H ARG 74 HN ARG 74 -1.134 8.358 -0.542 563 HA ARG 74 HA ARG 74 -0.733 6.273 1.442 564 1HB ARG 74 HB2 ARG 74 -2.981 8.239 1.540 565 2HB ARG 74 HB1 ARG 74 -3.285 6.549 1.955 566 1HG ARG 74 HG2 ARG 74 -1.971 6.596 3.794 567 2HG ARG 74 HG1 ARG 74 -0.886 7.792 3.133 568 1HD ARG 74 HD2 ARG 74 -3.533 8.912 3.454 569 2HD ARG 74 HD1 ARG 74 -2.962 8.240 4.981 570 HE ARG 74 HE ARG 74 -0.953 9.879 3.649 571 1HH1 ARG 74 HH21 ARG 74 -1.566 9.552 6.649 572 2HH1 ARG 74 HH22 ARG 74 -2.126 11.145 7.035 573 1HH2 ARG 74 HH11 ARG 74 -2.609 12.065 3.726 574 2HH2 ARG 74 HH12 ARG 74 -2.716 12.568 5.380 575 H TYR 75 HN TYR 75 -1.904 4.402 0.864 576 HA TYR 75 HA TYR 75 -3.452 4.496 -1.613 577 1HB TYR 75 HB2 TYR 75 -1.260 2.521 -1.628 578 2HB TYR 75 HB1 TYR 75 -2.034 3.351 -2.978 579 HD1 TYR 75 HD1 TYR 75 -1.518 5.911 -3.217 580 HD2 TYR 75 HD2 TYR 75 0.714 3.212 -0.817 581 HE1 TYR 75 HE1 TYR 75 0.425 7.449 -3.342 582 HE2 TYR 75 HE2 TYR 75 2.688 4.733 -0.903 583 HH TYR 75 HH TYR 75 3.438 6.718 -1.582 584 H LEU 76 HN LEU 76 -5.106 2.988 -1.323 585 HA LEU 76 HA LEU 76 -4.714 1.090 0.803 586 1HB LEU 76 HB2 LEU 76 -6.913 2.148 0.638 587 2HB LEU 76 HB1 LEU 76 -7.114 1.503 -0.975 588 HG LEU 76 HG LEU 76 -6.684 -0.788 0.065 589 1HD1 LEU 76 HD11 LEU 76 -7.247 0.838 2.553 590 2HD1 LEU 76 HD12 LEU 76 -5.760 -0.038 2.187 591 3HD1 LEU 76 HD13 LEU 76 -7.257 -0.925 2.481 592 1HD2 LEU 76 HD21 LEU 76 -8.864 -0.927 -0.249 593 2HD2 LEU 76 HD22 LEU 76 -8.973 0.834 -0.186 594 3HD2 LEU 76 HD23 LEU 76 -9.152 -0.115 1.290 595 H ILE 77 HN ILE 77 -4.887 -1.285 0.258 596 HA ILE 77 HA ILE 77 -4.864 -1.852 -2.623 597 HB ILE 77 HB ILE 77 -2.727 -2.859 -0.742 598 1HG1 ILE 77 HG12 ILE 77 -2.861 -0.479 -2.579 599 2HG1 ILE 77 HG11 ILE 77 -2.278 -0.557 -0.921 600 1HG2 ILE 77 HG21 ILE 77 -2.397 -2.800 -3.700 601 2HG2 ILE 77 HG22 ILE 77 -3.554 -3.971 -3.068 602 3HG2 ILE 77 HG23 ILE 77 -1.876 -4.018 -2.537 603 1HD1 ILE 77 HD11 ILE 77 -0.906 -1.930 -3.247 604 2HD1 ILE 77 HD12 ILE 77 -0.296 -1.755 -1.600 605 3HD1 ILE 77 HD13 ILE 77 -0.451 -0.339 -2.638 606 H ARG 78 HN ARG 78 -6.617 -3.224 -2.694 607 HA ARG 78 HA ARG 78 -7.241 -4.999 -0.473 608 1HB ARG 78 HB2 ARG 78 -9.080 -4.301 -1.832 609 2HB ARG 78 HB1 ARG 78 -8.265 -4.800 -3.313 610 1HG ARG 78 HG2 ARG 78 -9.045 -6.904 -3.113 611 2HG ARG 78 HG1 ARG 78 -8.463 -7.017 -1.451 612 1HD ARG 78 HD2 ARG 78 -10.961 -7.259 -1.675 613 2HD ARG 78 HD1 ARG 78 -10.462 -5.946 -0.609 614 HE ARG 78 HE ARG 78 -11.042 -4.364 -2.397 615 1HH1 ARG 78 HH11 ARG 78 -12.943 -7.045 -2.053 616 2HH1 ARG 78 HH12 ARG 78 -13.647 -6.997 -3.634 617 1HH2 ARG 78 HH21 ARG 78 -11.483 -4.559 -4.815 618 2HH2 ARG 78 HH22 ARG 78 -12.821 -5.590 -5.198 619 H LYS 79 HN LYS 79 -6.114 -6.830 -0.031 620 HA LYS 79 HA LYS 79 -4.187 -7.999 -1.816 621 1HB LYS 79 HB2 LYS 79 -3.929 -8.417 0.531 622 2HB LYS 79 HB1 LYS 79 -5.576 -9.033 0.671 623 1HG LYS 79 HG2 LYS 79 -3.835 -10.842 0.612 624 2HG LYS 79 HG1 LYS 79 -5.027 -10.969 -0.683 625 1HD LYS 79 HD2 LYS 79 -2.835 -9.267 -1.503 626 2HD LYS 79 HD1 LYS 79 -2.227 -10.835 -0.970 627 1HE LYS 79 HE2 LYS 79 -4.621 -11.168 -2.564 628 2HE LYS 79 HE1 LYS 79 -3.411 -10.241 -3.452 629 1HZ LYS 79 HZ1 LYS 79 -3.165 -12.945 -2.289 630 2HZ LYS 79 HZ2 LYS 79 -1.795 -12.021 -2.682 631 3HZ LYS 79 HZ3 LYS 79 -2.904 -12.458 -3.892 632 H GLY 80 HN GLY 80 -4.950 -8.753 -3.759 633 1HA GLY 80 HA2 GLY 80 -6.316 -11.154 -4.059 634 2HA GLY 80 HA1 GLY 80 -7.584 -9.928 -4.056 635 H GLY 81 HN GLY 81 -7.214 -11.399 -6.341 636 1HA GLY 81 HA2 GLY 81 -7.071 -9.540 -8.397 637 2HA GLY 81 HA1 GLY 81 -5.408 -10.100 -8.207 Start of MODEL 14 1 1H MET 1 HT1 MET 1 -16.572 11.388 -5.498 2 2H MET 1 HT2 MET 1 -16.769 12.405 -4.153 3 3H MET 1 HT3 MET 1 -17.376 10.819 -4.117 4 HA MET 1 HA MET 1 -14.808 10.327 -4.637 5 1HB MET 1 HB2 MET 1 -14.949 12.790 -2.870 6 2HB MET 1 HB1 MET 1 -13.511 11.795 -3.096 7 1HG MET 1 HG2 MET 1 -13.015 12.927 -4.974 8 2HG MET 1 HG1 MET 1 -14.556 12.437 -5.679 9 1HE MET 1 HE1 MET 1 -12.387 14.607 -4.032 10 2HE MET 1 HE2 MET 1 -13.359 15.623 -2.970 11 3HE MET 1 HE3 MET 1 -12.909 16.210 -4.568 12 H THR 2 HN THR 2 -16.642 8.781 -3.640 13 HA THR 2 HA THR 2 -17.216 8.745 -0.888 14 HB THR 2 HB THR 2 -18.198 7.158 -2.517 15 HG1 THR 2 HG1 THR 2 -18.205 6.607 -0.318 16 1HG2 THR 2 HG21 THR 2 -15.352 6.181 -2.594 17 2HG2 THR 2 HG22 THR 2 -16.430 6.548 -3.940 18 3HG2 THR 2 HG23 THR 2 -16.686 5.094 -2.977 19 H ASP 3 HN ASP 3 -16.201 7.413 0.833 20 HA ASP 3 HA ASP 3 -13.259 7.679 0.717 21 1HB ASP 3 HB2 ASP 3 -15.269 7.812 2.777 22 2HB ASP 3 HB1 ASP 3 -14.068 6.593 3.206 23 H LEU 4 HN LEU 4 -12.286 5.944 -0.252 24 HA LEU 4 HA LEU 4 -13.378 3.226 0.203 25 1HB LEU 4 HB2 LEU 4 -11.054 4.132 -1.527 26 2HB LEU 4 HB1 LEU 4 -11.787 2.527 -1.527 27 HG LEU 4 HG LEU 4 -13.368 5.039 -2.109 28 1HD1 LEU 4 HD11 LEU 4 -12.083 3.127 -4.085 29 2HD1 LEU 4 HD12 LEU 4 -11.535 4.773 -3.766 30 3HD1 LEU 4 HD13 LEU 4 -13.120 4.497 -4.489 31 1HD2 LEU 4 HD21 LEU 4 -14.563 2.944 -1.396 32 2HD2 LEU 4 HD22 LEU 4 -13.865 2.124 -2.793 33 3HD2 LEU 4 HD23 LEU 4 -14.983 3.469 -3.027 34 H PHE 5 HN PHE 5 -11.110 5.304 1.580 35 HA PHE 5 HA PHE 5 -9.215 3.216 2.401 36 1HB PHE 5 HB2 PHE 5 -9.424 6.179 2.706 37 2HB PHE 5 HB1 PHE 5 -8.482 5.297 3.907 38 HD1 PHE 5 HD1 PHE 5 -6.511 6.624 2.953 39 HD2 PHE 5 HD2 PHE 5 -8.671 3.698 0.679 40 HE1 PHE 5 HE1 PHE 5 -4.642 6.440 1.345 41 HE2 PHE 5 HE2 PHE 5 -6.757 3.536 -0.894 42 HZ PHE 5 HZ PHE 5 -4.753 4.956 -0.582 43 H SER 6 HN SER 6 -12.220 3.454 3.237 44 HA SER 6 HA SER 6 -12.571 4.017 5.925 45 1HB SER 6 HB2 SER 6 -14.471 3.238 4.757 46 2HB SER 6 HB1 SER 6 -13.653 1.777 4.217 47 HG SER 6 HG SER 6 -15.085 1.383 5.965 48 H SER 7 HN SER 7 -12.818 2.203 7.703 49 HA SER 7 HA SER 7 -10.308 1.374 8.561 50 1HB SER 7 HB2 SER 7 -11.507 -0.343 9.934 51 2HB SER 7 HB1 SER 7 -12.242 1.255 10.026 52 HG SER 7 HG SER 7 -13.489 -0.884 9.453 53 HA PRO 8 HA PRO 8 -9.663 -1.685 5.294 54 1HB PRO 8 HB2 PRO 8 -6.929 -1.663 5.553 55 2HB PRO 8 HB1 PRO 8 -7.832 -0.479 4.594 56 1HG PRO 8 HG2 PRO 8 -6.547 -0.141 7.267 57 2HG PRO 8 HG1 PRO 8 -6.862 1.066 6.011 58 1HD PRO 8 HD2 PRO 8 -8.385 0.702 8.355 59 2HD PRO 8 HD1 PRO 8 -8.880 1.635 6.929 60 H ASP 9 HN ASP 9 -8.334 -3.808 5.369 61 HA ASP 9 HA ASP 9 -8.871 -5.125 7.930 62 1HB ASP 9 HB2 ASP 9 -7.731 -6.077 5.291 63 2HB ASP 9 HB1 ASP 9 -7.880 -7.131 6.698 64 H HIS 10 HN HIS 10 -6.165 -3.707 6.278 65 HA HIS 10 HA HIS 10 -4.448 -4.323 8.620 66 1HB HIS 10 HB2 HIS 10 -3.923 -5.082 5.754 67 2HB HIS 10 HB1 HIS 10 -2.583 -4.736 6.840 68 HD1 HIS 10 HD1 HIS 10 -1.761 -6.727 8.096 69 HD2 HIS 10 HD2 HIS 10 -5.784 -7.109 7.073 70 HE1 HIS 10 HE1 HIS 10 -2.495 -9.007 8.920 71 H THR 11 HN THR 11 -2.276 -2.979 8.283 72 HA THR 11 HA THR 11 -2.778 -0.505 6.725 73 HB THR 11 HB THR 11 -2.050 -0.501 9.652 74 HG1 THR 11 HG1 THR 11 -4.473 0.076 8.306 75 1HG2 THR 11 HG21 THR 11 -2.444 1.627 7.563 76 2HG2 THR 11 HG22 THR 11 -1.121 1.442 8.716 77 3HG2 THR 11 HG23 THR 11 -2.702 1.992 9.269 78 H LEU 12 HN LEU 12 -0.784 0.811 6.545 79 HA LEU 12 HA LEU 12 1.738 -0.522 7.337 80 1HB LEU 12 HB2 LEU 12 1.391 -1.524 5.180 81 2HB LEU 12 HB1 LEU 12 0.915 0.021 4.481 82 HG LEU 12 HG LEU 12 3.177 0.877 4.537 83 1HD1 LEU 12 HD11 LEU 12 4.195 0.434 6.535 84 2HD1 LEU 12 HD12 LEU 12 4.827 -0.976 5.700 85 3HD1 LEU 12 HD13 LEU 12 3.399 -1.125 6.721 86 1HD2 LEU 12 HD21 LEU 12 2.651 -1.774 3.466 87 2HD2 LEU 12 HD22 LEU 12 4.343 -1.621 3.936 88 3HD2 LEU 12 HD23 LEU 12 3.638 -0.476 2.794 89 H ASP 13 HN ASP 13 3.158 1.027 7.977 90 HA ASP 13 HA ASP 13 2.601 3.841 7.171 91 1HB ASP 13 HB2 ASP 13 2.883 3.430 9.601 92 2HB ASP 13 HB1 ASP 13 4.466 2.715 9.298 93 H ALA 14 HN ALA 14 4.151 4.926 5.834 94 HA ALA 14 HA ALA 14 6.686 3.467 5.381 95 1HB ALA 14 HB1 ALA 14 6.315 2.865 3.241 96 2HB ALA 14 HB2 ALA 14 5.423 4.342 2.874 97 3HB ALA 14 HB3 ALA 14 4.615 3.001 3.688 98 H LEU 15 HN LEU 15 5.573 5.904 6.538 99 HA LEU 15 HA LEU 15 6.749 8.126 5.079 100 1HB LEU 15 HB2 LEU 15 5.952 8.286 7.939 101 2HB LEU 15 HB1 LEU 15 5.729 9.431 6.627 102 HG LEU 15 HG LEU 15 4.152 6.910 7.127 103 1HD1 LEU 15 HD11 LEU 15 3.662 9.229 8.247 104 2HD1 LEU 15 HD12 LEU 15 2.335 8.309 7.537 105 3HD1 LEU 15 HD13 LEU 15 3.045 9.658 6.651 106 1HD2 LEU 15 HD21 LEU 15 3.980 6.768 4.878 107 2HD2 LEU 15 HD22 LEU 15 4.755 8.333 4.650 108 3HD2 LEU 15 HD23 LEU 15 3.026 8.246 4.963 109 H GLY 16 HN GLY 16 8.871 7.945 5.021 110 1HA GLY 16 HA2 GLY 16 11.019 8.366 6.130 111 2HA GLY 16 HA1 GLY 16 10.363 7.581 7.575 112 H LEU 17 HN LEU 17 9.210 5.870 5.018 113 HA LEU 17 HA LEU 17 11.284 3.774 5.273 114 1HB LEU 17 HB2 LEU 17 8.471 3.743 4.136 115 2HB LEU 17 HB1 LEU 17 9.562 2.363 4.121 116 HG LEU 17 HG LEU 17 8.159 3.648 6.427 117 1HD1 LEU 17 HD11 LEU 17 7.757 1.282 6.960 118 2HD1 LEU 17 HD12 LEU 17 8.849 0.792 5.663 119 3HD1 LEU 17 HD13 LEU 17 7.326 1.594 5.279 120 1HD2 LEU 17 HD21 LEU 17 10.293 3.753 7.354 121 2HD2 LEU 17 HD22 LEU 17 10.868 2.363 6.431 122 3HD2 LEU 17 HD23 LEU 17 9.787 2.124 7.804 123 H ARG 18 HN ARG 18 12.151 2.890 3.315 124 HA ARG 18 HA ARG 18 11.381 4.356 0.865 125 1HB ARG 18 HB2 ARG 18 13.886 4.623 0.344 126 2HB ARG 18 HB1 ARG 18 13.131 5.722 1.497 127 1HG ARG 18 HG2 ARG 18 13.955 3.556 3.059 128 2HG ARG 18 HG1 ARG 18 15.282 3.804 1.926 129 1HD ARG 18 HD2 ARG 18 15.966 5.532 3.193 130 2HD ARG 18 HD1 ARG 18 14.487 6.383 2.748 131 HE ARG 18 HE ARG 18 13.542 5.770 4.854 132 1HH1 ARG 18 HH21 ARG 18 14.700 2.922 4.763 133 2HH1 ARG 18 HH22 ARG 18 15.739 2.955 6.147 134 1HH2 ARG 18 HH11 ARG 18 15.698 6.410 6.428 135 2HH2 ARG 18 HH12 ARG 18 16.304 4.930 7.091 136 H CYS 19 HN CYS 19 11.824 3.209 -1.022 137 HA CYS 19 HA CYS 19 11.598 0.424 -0.941 138 1HB CYS 19 HB2 CYS 19 11.245 1.507 -3.020 139 2HB CYS 19 HB1 CYS 19 12.861 2.206 -3.027 140 HG CYS 19 HG CYS 19 13.158 0.154 -4.509 141 HA PRO 20 HA PRO 20 12.005 -1.359 -1.634 142 1HB PRO 20 HB2 PRO 20 12.817 -3.789 -0.688 143 2HB PRO 20 HB1 PRO 20 13.390 -3.119 -2.226 144 1HG PRO 20 HG2 PRO 20 14.843 -3.383 0.358 145 2HG PRO 20 HG1 PRO 20 15.492 -3.284 -1.284 146 1HD PRO 20 HD2 PRO 20 15.369 -1.181 0.640 147 2HD PRO 20 HD1 PRO 20 15.853 -1.042 -1.063 148 H GLU 21 HN GLU 21 13.044 -0.472 1.392 149 HA GLU 21 HA GLU 21 11.926 -2.206 3.242 150 1HB GLU 21 HB2 GLU 21 12.238 0.744 3.322 151 2HB GLU 21 HB1 GLU 21 11.614 -0.140 4.706 152 1HG GLU 21 HG2 GLU 21 13.846 -1.610 3.941 153 2HG GLU 21 HG1 GLU 21 14.358 0.063 3.710 154 HA PRO 22 HA PRO 22 7.724 0.018 3.188 155 1HB PRO 22 HB2 PRO 22 7.145 1.336 0.840 156 2HB PRO 22 HB1 PRO 22 7.804 2.122 2.271 157 1HG PRO 22 HG2 PRO 22 9.180 1.378 -0.265 158 2HG PRO 22 HG1 PRO 22 9.541 2.699 0.860 159 1HD PRO 22 HD2 PRO 22 10.956 0.304 0.712 160 2HD PRO 22 HD1 PRO 22 10.973 1.387 2.109 161 H VAL 23 HN VAL 23 8.507 -0.509 -0.224 162 HA VAL 23 HA VAL 23 6.345 -2.161 -0.925 163 HB VAL 23 HB VAL 23 9.261 -2.323 -1.728 164 1HG1 VAL 23 HG11 VAL 23 8.454 -4.414 -2.386 165 2HG1 VAL 23 HG12 VAL 23 8.118 -3.438 -3.816 166 3HG1 VAL 23 HG13 VAL 23 6.824 -3.806 -2.676 167 1HG2 VAL 23 HG21 VAL 23 7.517 -0.301 -2.195 168 2HG2 VAL 23 HG22 VAL 23 7.139 -1.345 -3.565 169 3HG2 VAL 23 HG23 VAL 23 8.784 -0.754 -3.335 170 H MET 24 HN MET 24 9.140 -2.789 1.089 171 HA MET 24 HA MET 24 8.922 -5.691 1.023 172 1HB MET 24 HB2 MET 24 10.395 -3.695 2.717 173 2HB MET 24 HB1 MET 24 10.321 -5.384 3.218 174 1HG MET 24 HG2 MET 24 10.986 -4.980 0.370 175 2HG MET 24 HG1 MET 24 12.199 -4.378 1.499 176 1HE MET 24 HE1 MET 24 12.512 -7.484 -0.541 177 2HE MET 24 HE2 MET 24 10.923 -6.725 -0.502 178 3HE MET 24 HE3 MET 24 11.120 -8.370 0.099 179 H MET 25 HN MET 25 7.741 -3.145 3.192 180 HA MET 25 HA MET 25 6.716 -4.870 5.212 181 1HB MET 25 HB2 MET 25 6.117 -2.066 4.318 182 2HB MET 25 HB1 MET 25 5.042 -2.847 5.479 183 1HG MET 25 HG2 MET 25 7.687 -3.400 6.333 184 2HG MET 25 HG1 MET 25 7.635 -1.682 5.935 185 1HE MET 25 HE1 MET 25 6.795 -3.518 9.637 186 2HE MET 25 HE2 MET 25 7.496 -4.150 8.150 187 3HE MET 25 HE3 MET 25 5.800 -4.456 8.514 188 H VAL 26 HN VAL 26 5.062 -3.352 2.419 189 HA VAL 26 HA VAL 26 2.564 -4.648 2.766 190 HB VAL 26 HB VAL 26 4.008 -3.894 0.213 191 1HG1 VAL 26 HG11 VAL 26 1.096 -3.980 0.084 192 2HG1 VAL 26 HG12 VAL 26 1.763 -5.561 0.476 193 3HG1 VAL 26 HG13 VAL 26 2.276 -4.729 -0.988 194 1HG2 VAL 26 HG21 VAL 26 1.931 -2.550 1.950 195 2HG2 VAL 26 HG22 VAL 26 2.263 -2.034 0.298 196 3HG2 VAL 26 HG23 VAL 26 3.531 -1.948 1.519 197 H ARG 27 HN ARG 27 5.616 -5.869 1.567 198 HA ARG 27 HA ARG 27 4.620 -8.218 0.256 199 1HB ARG 27 HB2 ARG 27 7.202 -7.212 1.076 200 2HB ARG 27 HB1 ARG 27 7.050 -8.926 1.494 201 1HG ARG 27 HG2 ARG 27 6.101 -8.080 -1.200 202 2HG ARG 27 HG1 ARG 27 7.840 -8.148 -0.936 203 1HD ARG 27 HD2 ARG 27 5.915 -10.411 -0.337 204 2HD ARG 27 HD1 ARG 27 6.921 -10.307 -1.781 205 HE ARG 27 HE ARG 27 8.436 -10.115 0.712 206 1HH1 ARG 27 HH11 ARG 27 6.583 -12.669 0.040 207 2HH1 ARG 27 HH12 ARG 27 7.841 -13.767 -0.417 208 1HH2 ARG 27 HH21 ARG 27 10.277 -11.308 -0.620 209 2HH2 ARG 27 HH22 ARG 27 9.933 -12.997 -0.790 210 H LYS 28 HN LYS 28 6.014 -7.877 3.485 211 HA LYS 28 HA LYS 28 5.390 -10.484 4.424 212 1HB LYS 28 HB2 LYS 28 5.820 -7.858 5.863 213 2HB LYS 28 HB1 LYS 28 5.515 -9.363 6.731 214 1HG LYS 28 HG2 LYS 28 7.546 -9.691 4.662 215 2HG LYS 28 HG1 LYS 28 7.999 -8.463 5.844 216 1HD LYS 28 HD2 LYS 28 6.827 -10.730 7.193 217 2HD LYS 28 HD1 LYS 28 8.146 -11.270 6.154 218 1HE LYS 28 HE2 LYS 28 8.731 -8.807 7.663 219 2HE LYS 28 HE1 LYS 28 8.483 -10.232 8.672 220 1HZ LYS 28 HZ1 LYS 28 10.452 -9.854 6.495 221 2HZ LYS 28 HZ2 LYS 28 10.055 -11.392 7.099 222 3HZ LYS 28 HZ3 LYS 28 10.747 -10.226 8.123 223 H THR 29 HN THR 29 3.620 -7.443 4.719 224 HA THR 29 HA THR 29 1.363 -8.418 6.165 225 HB THR 29 HB THR 29 2.072 -6.125 4.426 226 HG1 THR 29 HG1 THR 29 2.245 -6.342 6.799 227 1HG2 THR 29 HG21 THR 29 -0.802 -6.606 5.226 228 2HG2 THR 29 HG22 THR 29 -0.174 -6.770 3.586 229 3HG2 THR 29 HG23 THR 29 -0.165 -5.196 4.381 230 H VAL 30 HN VAL 30 2.282 -8.350 2.812 231 HA VAL 30 HA VAL 30 -0.230 -9.253 1.699 232 HB VAL 30 HB VAL 30 2.639 -9.079 0.784 233 1HG1 VAL 30 HG11 VAL 30 1.998 -11.153 -0.181 234 2HG1 VAL 30 HG12 VAL 30 1.830 -9.941 -1.451 235 3HG1 VAL 30 HG13 VAL 30 0.401 -10.537 -0.606 236 1HG2 VAL 30 HG21 VAL 30 0.816 -7.187 0.722 237 2HG2 VAL 30 HG22 VAL 30 0.223 -8.065 -0.690 238 3HG2 VAL 30 HG23 VAL 30 1.866 -7.424 -0.676 239 H ARG 31 HN ARG 31 2.587 -10.676 3.127 240 HA ARG 31 HA ARG 31 2.048 -13.422 2.349 241 1HB ARG 31 HB2 ARG 31 3.760 -12.249 4.562 242 2HB ARG 31 HB1 ARG 31 3.752 -13.951 4.101 243 1HG ARG 31 HG2 ARG 31 4.332 -13.132 1.722 244 2HG ARG 31 HG1 ARG 31 4.701 -11.589 2.478 245 1HD ARG 31 HD2 ARG 31 6.627 -13.311 2.177 246 2HD ARG 31 HD1 ARG 31 6.485 -12.457 3.713 247 HE ARG 31 HE ARG 31 5.472 -15.244 3.297 248 1HH1 ARG 31 HH11 ARG 31 4.923 -13.241 5.689 249 2HH1 ARG 31 HH12 ARG 31 5.946 -13.961 6.887 250 1HH2 ARG 31 HH21 ARG 31 7.643 -15.957 4.615 251 2HH2 ARG 31 HH22 ARG 31 7.487 -15.499 6.278 252 H ASN 32 HN ASN 32 1.163 -11.264 4.980 253 HA ASN 32 HA ASN 32 -0.176 -13.551 6.359 254 1HB ASN 32 HB2 ASN 32 -0.310 -12.116 8.316 255 2HB ASN 32 HB1 ASN 32 1.347 -12.104 7.713 256 1HD2 ASN 32 HD21 ASN 32 1.705 -9.962 8.690 257 2HD2 ASN 32 HD22 ASN 32 1.037 -8.566 7.992 258 H MET 33 HN MET 33 -0.938 -11.469 3.999 259 HA MET 33 HA MET 33 -3.585 -10.692 5.076 260 1HB MET 33 HB2 MET 33 -1.957 -9.908 2.701 261 2HB MET 33 HB1 MET 33 -3.711 -9.805 2.555 262 1HG MET 33 HG2 MET 33 -3.439 -8.650 4.956 263 2HG MET 33 HG1 MET 33 -1.863 -8.244 4.295 264 1HE MET 33 HE1 MET 33 -5.965 -7.204 2.528 265 2HE MET 33 HE2 MET 33 -5.591 -8.352 3.811 266 3HE MET 33 HE3 MET 33 -5.198 -8.750 2.140 267 H GLN 34 HN GLN 34 -5.358 -10.936 3.225 268 HA GLN 34 HA GLN 34 -5.194 -13.679 2.068 269 1HB GLN 34 HB2 GLN 34 -7.264 -12.548 3.936 270 2HB GLN 34 HB1 GLN 34 -7.742 -13.743 2.729 271 1HG GLN 34 HG2 GLN 34 -6.535 -15.434 3.720 272 2HG GLN 34 HG1 GLN 34 -5.298 -14.335 4.329 273 1HE2 GLN 34 HE21 GLN 34 -8.873 -14.280 4.788 274 2HE2 GLN 34 HE22 GLN 34 -8.805 -14.326 6.483 275 HA PRO 35 HA PRO 35 -6.779 -11.695 -1.481 276 1HB PRO 35 HB2 PRO 35 -8.194 -13.773 -2.612 277 2HB PRO 35 HB1 PRO 35 -6.431 -13.618 -2.675 278 1HG PRO 35 HG2 PRO 35 -8.106 -15.412 -0.960 279 2HG PRO 35 HG1 PRO 35 -6.469 -15.672 -1.588 280 1HD PRO 35 HD2 PRO 35 -7.062 -14.904 1.040 281 2HD PRO 35 HD1 PRO 35 -5.483 -14.687 0.250 282 H GLY 36 HN GLY 36 -8.383 -10.242 -1.467 283 1HA GLY 36 HA2 GLY 36 -10.763 -9.700 -1.686 284 2HA GLY 36 HA1 GLY 36 -11.127 -11.109 -0.680 285 H GLU 37 HN GLU 37 -8.391 -9.296 0.297 286 HA GLU 37 HA GLU 37 -9.997 -8.070 2.503 287 1HB GLU 37 HB2 GLU 37 -7.339 -9.433 2.412 288 2HB GLU 37 HB1 GLU 37 -7.537 -8.100 3.544 289 1HG GLU 37 HG2 GLU 37 -9.750 -9.314 4.211 290 2HG GLU 37 HG1 GLU 37 -9.011 -10.719 3.443 291 H THR 38 HN THR 38 -8.364 -6.191 3.493 292 HA THR 38 HA THR 38 -7.336 -4.645 1.168 293 HB THR 38 HB THR 38 -8.422 -2.620 2.526 294 HG1 THR 38 HG1 THR 38 -9.729 -3.348 3.980 295 1HG2 THR 38 HG21 THR 38 -8.786 -3.427 0.132 296 2HG2 THR 38 HG22 THR 38 -10.157 -2.616 0.891 297 3HG2 THR 38 HG23 THR 38 -10.134 -4.375 0.760 298 H LEU 39 HN LEU 39 -5.830 -2.980 1.739 299 HA LEU 39 HA LEU 39 -4.767 -3.007 4.519 300 1HB LEU 39 HB2 LEU 39 -3.426 -4.708 3.506 301 2HB LEU 39 HB1 LEU 39 -3.264 -3.794 2.010 302 HG LEU 39 HG LEU 39 -2.169 -2.001 3.670 303 1HD1 LEU 39 HD11 LEU 39 -2.334 -3.068 5.744 304 2HD1 LEU 39 HD12 LEU 39 -0.693 -3.466 5.236 305 3HD1 LEU 39 HD13 LEU 39 -1.985 -4.655 5.061 306 1HD2 LEU 39 HD21 LEU 39 -0.658 -4.460 2.754 307 2HD2 LEU 39 HD22 LEU 39 -0.013 -2.832 2.967 308 3HD2 LEU 39 HD23 LEU 39 -1.159 -3.165 1.668 309 H LEU 40 HN LEU 40 -4.704 -0.833 5.005 310 HA LEU 40 HA LEU 40 -4.428 1.145 2.842 311 1HB LEU 40 HB2 LEU 40 -6.019 1.764 4.510 312 2HB LEU 40 HB1 LEU 40 -4.916 1.351 5.822 313 HG LEU 40 HG LEU 40 -3.386 3.182 5.010 314 1HD1 LEU 40 HD11 LEU 40 -5.206 4.806 3.628 315 2HD1 LEU 40 HD12 LEU 40 -5.384 3.212 2.896 316 3HD1 LEU 40 HD13 LEU 40 -3.801 3.988 2.943 317 1HD2 LEU 40 HD21 LEU 40 -5.158 5.040 5.669 318 2HD2 LEU 40 HD22 LEU 40 -4.615 3.863 6.863 319 3HD2 LEU 40 HD23 LEU 40 -6.163 3.642 6.046 320 H ILE 41 HN ILE 41 -2.621 2.556 2.673 321 HA ILE 41 HA ILE 41 -0.309 1.941 4.450 322 HB ILE 41 HB ILE 41 0.007 2.161 1.461 323 1HG1 ILE 41 HG12 ILE 41 -0.849 -0.221 3.112 324 2HG1 ILE 41 HG11 ILE 41 -1.478 0.342 1.571 325 1HG2 ILE 41 HG21 ILE 41 1.781 0.365 2.887 326 2HG2 ILE 41 HG22 ILE 41 1.760 1.948 3.661 327 3HG2 ILE 41 HG23 ILE 41 2.177 1.808 1.954 328 1HD1 ILE 41 HD11 ILE 41 -0.076 -1.697 1.315 329 2HD1 ILE 41 HD12 ILE 41 1.297 -0.802 1.963 330 3HD1 ILE 41 HD13 ILE 41 0.574 -0.320 0.429 331 H ILE 42 HN ILE 42 1.353 3.613 4.414 332 HA ILE 42 HA ILE 42 0.532 6.125 3.064 333 HB ILE 42 HB ILE 42 1.931 6.280 5.700 334 1HG1 ILE 42 HG12 ILE 42 -0.979 5.604 5.273 335 2HG1 ILE 42 HG11 ILE 42 0.161 4.892 6.419 336 1HG2 ILE 42 HG21 ILE 42 1.104 8.118 3.865 337 2HG2 ILE 42 HG22 ILE 42 1.276 8.473 5.581 338 3HG2 ILE 42 HG23 ILE 42 -0.308 8.068 4.918 339 1HD1 ILE 42 HD11 ILE 42 -0.912 7.717 6.491 340 2HD1 ILE 42 HD12 ILE 42 0.292 7.062 7.601 341 3HD1 ILE 42 HD13 ILE 42 -1.348 6.412 7.593 342 H ALA 43 HN ALA 43 2.487 7.530 2.839 343 HA ALA 43 HA ALA 43 5.082 6.287 3.184 344 1HB ALA 43 HB1 ALA 43 3.677 5.500 0.905 345 2HB ALA 43 HB2 ALA 43 5.415 5.349 1.157 346 3HB ALA 43 HB3 ALA 43 4.764 6.761 0.325 347 H ASP 44 HN ASP 44 6.499 7.926 3.381 348 HA ASP 44 HA ASP 44 5.661 10.533 2.228 349 1HB ASP 44 HB2 ASP 44 6.983 11.653 3.849 350 2HB ASP 44 HB1 ASP 44 6.123 10.418 4.747 351 H ASP 45 HN ASP 45 7.929 7.940 2.264 352 HA ASP 45 HA ASP 45 10.062 9.219 0.844 353 1HB ASP 45 HB2 ASP 45 10.587 7.151 1.701 354 2HB ASP 45 HB1 ASP 45 9.053 6.463 1.214 355 HA PRO 46 HA PRO 46 7.962 9.889 -2.985 356 1HB PRO 46 HB2 PRO 46 10.186 10.363 -4.529 357 2HB PRO 46 HB1 PRO 46 9.511 11.545 -3.394 358 1HG PRO 46 HG2 PRO 46 11.969 9.880 -3.134 359 2HG PRO 46 HG1 PRO 46 11.586 11.438 -2.384 360 1HD PRO 46 HD2 PRO 46 11.456 8.908 -1.117 361 2HD PRO 46 HD1 PRO 46 10.777 10.420 -0.495 362 H ALA 47 HN ALA 47 10.320 7.438 -2.513 363 HA ALA 47 HA ALA 47 9.873 6.203 -5.163 364 1HB ALA 47 HB1 ALA 47 11.415 4.990 -2.865 365 2HB ALA 47 HB2 ALA 47 12.120 6.228 -3.905 366 3HB ALA 47 HB3 ALA 47 11.609 4.685 -4.591 367 H THR 48 HN THR 48 8.200 6.243 -2.291 368 HA THR 48 HA THR 48 7.444 3.392 -2.326 369 HB THR 48 HB THR 48 5.772 4.267 -0.535 370 HG1 THR 48 HG1 THR 48 5.961 6.455 -1.093 371 1HG2 THR 48 HG21 THR 48 8.397 4.867 0.563 372 2HG2 THR 48 HG22 THR 48 8.427 3.429 -0.455 373 3HG2 THR 48 HG23 THR 48 7.319 3.518 0.915 374 H THR 49 HN THR 49 5.989 6.542 -3.101 375 HA THR 49 HA THR 49 3.372 5.636 -3.720 376 HB THR 49 HB THR 49 3.030 7.696 -4.714 377 HG1 THR 49 HG1 THR 49 4.083 7.850 -6.513 378 1HG2 THR 49 HG21 THR 49 4.642 7.820 -2.570 379 2HG2 THR 49 HG22 THR 49 4.104 9.261 -3.434 380 3HG2 THR 49 HG23 THR 49 5.699 8.582 -3.757 381 H ARG 50 HN ARG 50 6.381 5.486 -5.510 382 HA ARG 50 HA ARG 50 4.952 4.386 -7.870 383 1HB ARG 50 HB2 ARG 50 7.793 5.250 -7.367 384 2HB ARG 50 HB1 ARG 50 7.331 4.384 -8.832 385 1HG ARG 50 HG2 ARG 50 6.292 6.199 -9.716 386 2HG ARG 50 HG1 ARG 50 5.547 6.630 -8.177 387 1HD ARG 50 HD2 ARG 50 7.417 7.852 -7.465 388 2HD ARG 50 HD1 ARG 50 8.501 7.025 -8.583 389 HE ARG 50 HE ARG 50 6.936 9.387 -9.184 390 1HH1 ARG 50 HH11 ARG 50 9.573 8.349 -10.418 391 2HH1 ARG 50 HH12 ARG 50 9.068 8.081 -12.053 392 1HH2 ARG 50 HH21 ARG 50 5.685 8.226 -11.313 393 2HH2 ARG 50 HH22 ARG 50 6.868 8.013 -12.560 394 H ASP 51 HN ASP 51 7.327 3.328 -5.466 395 HA ASP 51 HA ASP 51 7.578 0.717 -6.777 396 1HB ASP 51 HB2 ASP 51 8.716 1.786 -4.181 397 2HB ASP 51 HB1 ASP 51 9.127 0.222 -4.891 398 H ILE 52 HN ILE 52 6.275 1.834 -3.631 399 HA ILE 52 HA ILE 52 5.600 -0.686 -2.611 400 HB ILE 52 HB ILE 52 4.559 2.063 -2.194 401 1HG1 ILE 52 HG12 ILE 52 5.659 -0.183 -0.506 402 2HG1 ILE 52 HG11 ILE 52 6.423 1.360 -0.887 403 1HG2 ILE 52 HG21 ILE 52 2.779 1.291 -0.685 404 2HG2 ILE 52 HG22 ILE 52 3.128 -0.386 -1.108 405 3HG2 ILE 52 HG23 ILE 52 2.469 0.712 -2.322 406 1HD1 ILE 52 HD11 ILE 52 4.643 0.724 1.285 407 2HD1 ILE 52 HD12 ILE 52 3.917 1.975 0.277 408 3HD1 ILE 52 HD13 ILE 52 5.516 2.226 0.978 409 HA PRO 53 HA PRO 53 1.435 -0.576 -4.841 410 1HB PRO 53 HB2 PRO 53 1.226 1.157 -6.959 411 2HB PRO 53 HB1 PRO 53 0.660 1.500 -5.315 412 1HG PRO 53 HG2 PRO 53 3.069 2.534 -6.740 413 2HG PRO 53 HG1 PRO 53 2.144 3.277 -5.424 414 1HD PRO 53 HD2 PRO 53 4.614 1.962 -5.144 415 2HD PRO 53 HD1 PRO 53 3.501 2.355 -3.816 416 H GLY 54 HN GLY 54 4.011 0.467 -7.102 417 1HA GLY 54 HA2 GLY 54 3.410 -1.298 -9.198 418 2HA GLY 54 HA1 GLY 54 5.068 -0.829 -8.779 419 H PHE 55 HN PHE 55 4.626 -1.949 -5.994 420 HA PHE 55 HA PHE 55 5.494 -4.666 -6.622 421 1HB PHE 55 HB2 PHE 55 6.569 -3.974 -4.698 422 2HB PHE 55 HB1 PHE 55 5.206 -2.999 -4.159 423 HD1 PHE 55 HD1 PHE 55 5.250 -6.605 -5.171 424 HD2 PHE 55 HD2 PHE 55 4.755 -3.780 -1.982 425 HE1 PHE 55 HE1 PHE 55 4.481 -8.421 -3.687 426 HE2 PHE 55 HE2 PHE 55 3.987 -5.608 -0.505 427 HZ PHE 55 HZ PHE 55 3.838 -7.925 -1.356 428 H CYS 56 HN CYS 56 2.671 -3.312 -4.811 429 HA CYS 56 HA CYS 56 1.344 -5.767 -4.440 430 1HB CYS 56 HB2 CYS 56 0.342 -2.958 -4.848 431 2HB CYS 56 HB1 CYS 56 -0.772 -4.300 -4.571 432 HG CYS 56 HG CYS 56 0.939 -2.998 -2.441 433 H THR 57 HN THR 57 1.399 -3.690 -7.299 434 HA THR 57 HA THR 57 -0.616 -5.154 -8.742 435 HB THR 57 HB THR 57 1.712 -3.609 -9.907 436 HG1 THR 57 HG1 THR 57 0.699 -1.850 -9.355 437 1HG2 THR 57 HG21 THR 57 -1.060 -4.279 -10.930 438 2HG2 THR 57 HG22 THR 57 0.461 -4.941 -11.529 439 3HG2 THR 57 HG23 THR 57 0.093 -3.231 -11.756 440 H PHE 58 HN PHE 58 2.855 -5.552 -8.352 441 HA PHE 58 HA PHE 58 3.179 -7.495 -10.459 442 1HB PHE 58 HB2 PHE 58 4.959 -6.052 -9.198 443 2HB PHE 58 HB1 PHE 58 4.963 -7.385 -8.044 444 HD1 PHE 58 HD1 PHE 58 6.368 -6.175 -11.056 445 HD2 PHE 58 HD2 PHE 58 5.116 -9.803 -9.126 446 HE1 PHE 58 HE1 PHE 58 7.828 -7.487 -12.572 447 HE2 PHE 58 HE2 PHE 58 6.574 -11.114 -10.643 448 HZ PHE 58 HZ PHE 58 7.930 -9.956 -12.366 449 H MET 59 HN MET 59 2.242 -7.774 -7.055 450 HA MET 59 HA MET 59 2.579 -10.696 -7.177 451 1HB MET 59 HB2 MET 59 2.091 -8.736 -5.046 452 2HB MET 59 HB1 MET 59 1.455 -10.354 -4.783 453 1HG MET 59 HG2 MET 59 3.825 -11.121 -5.592 454 2HG MET 59 HG1 MET 59 4.306 -9.480 -5.169 455 1HE MET 59 HE1 MET 59 5.747 -11.916 -3.250 456 2HE MET 59 HE2 MET 59 4.626 -12.569 -4.442 457 3HE MET 59 HE3 MET 59 4.414 -12.959 -2.737 458 H GLU 60 HN GLU 60 0.281 -8.766 -8.378 459 HA GLU 60 HA GLU 60 -1.813 -9.418 -9.258 460 1HB GLU 60 HB2 GLU 60 -2.460 -11.597 -9.166 461 2HB GLU 60 HB1 GLU 60 -0.857 -11.844 -8.482 462 1HG GLU 60 HG2 GLU 60 -2.133 -11.251 -6.211 463 2HG GLU 60 HG1 GLU 60 -3.521 -11.844 -7.123 464 H HIS 61 HN HIS 61 -1.196 -7.840 -6.745 465 HA HIS 61 HA HIS 61 -3.730 -8.144 -5.253 466 1HB HIS 61 HB2 HIS 61 -1.435 -6.217 -4.763 467 2HB HIS 61 HB1 HIS 61 -2.726 -6.641 -3.649 468 HD1 HIS 61 HD1 HIS 61 -2.179 -9.747 -5.015 469 HD2 HIS 61 HD2 HIS 61 0.181 -7.401 -2.506 470 HE1 HIS 61 HE1 HIS 61 -0.552 -11.320 -3.890 471 H GLU 62 HN GLU 62 -4.732 -5.816 -4.715 472 HA GLU 62 HA GLU 62 -4.710 -4.271 -7.275 473 1HB GLU 62 HB2 GLU 62 -6.934 -5.299 -5.602 474 2HB GLU 62 HB1 GLU 62 -7.157 -3.731 -6.357 475 1HG GLU 62 HG2 GLU 62 -7.325 -4.633 -8.441 476 2HG GLU 62 HG1 GLU 62 -6.012 -5.774 -8.147 477 H LEU 63 HN LEU 63 -4.776 -2.079 -7.136 478 HA LEU 63 HA LEU 63 -4.192 -0.855 -4.502 479 1HB LEU 63 HB2 LEU 63 -2.810 0.161 -6.099 480 2HB LEU 63 HB1 LEU 63 -4.003 -0.005 -7.382 481 HG LEU 63 HG LEU 63 -5.386 1.757 -6.141 482 1HD1 LEU 63 HD11 LEU 63 -3.187 1.433 -4.300 483 2HD1 LEU 63 HD12 LEU 63 -4.656 2.391 -4.109 484 3HD1 LEU 63 HD13 LEU 63 -3.238 3.097 -4.883 485 1HD2 LEU 63 HD21 LEU 63 -3.351 1.967 -8.013 486 2HD2 LEU 63 HD22 LEU 63 -2.911 3.174 -6.805 487 3HD2 LEU 63 HD23 LEU 63 -4.490 3.245 -7.589 488 H VAL 64 HN VAL 64 -6.163 -0.766 -3.362 489 HA VAL 64 HA VAL 64 -8.637 -0.453 -4.740 490 HB VAL 64 HB VAL 64 -7.822 -0.348 -1.836 491 1HG1 VAL 64 HG11 VAL 64 -10.309 -0.740 -1.506 492 2HG1 VAL 64 HG12 VAL 64 -10.514 -0.232 -3.182 493 3HG1 VAL 64 HG13 VAL 64 -9.855 0.893 -1.994 494 1HG2 VAL 64 HG21 VAL 64 -8.109 -2.589 -1.886 495 2HG2 VAL 64 HG22 VAL 64 -8.012 -2.436 -3.641 496 3HG2 VAL 64 HG23 VAL 64 -9.584 -2.461 -2.842 497 H ALA 65 HN ALA 65 -6.738 1.888 -2.704 498 HA ALA 65 HA ALA 65 -8.050 4.019 -4.325 499 1HB ALA 65 HB1 ALA 65 -8.728 3.417 -1.562 500 2HB ALA 65 HB2 ALA 65 -9.512 4.524 -2.689 501 3HB ALA 65 HB3 ALA 65 -8.131 5.067 -1.735 502 H LYS 66 HN LYS 66 -6.495 5.605 -4.831 503 HA LYS 66 HA LYS 66 -3.975 5.439 -3.309 504 1HB LYS 66 HB2 LYS 66 -4.359 7.182 -5.687 505 2HB LYS 66 HB1 LYS 66 -2.920 6.304 -5.170 506 1HG LYS 66 HG2 LYS 66 -3.582 4.925 -6.827 507 2HG LYS 66 HG1 LYS 66 -4.563 4.236 -5.564 508 1HD LYS 66 HD2 LYS 66 -6.387 4.688 -6.799 509 2HD LYS 66 HD1 LYS 66 -6.034 6.405 -6.613 510 1HE LYS 66 HE2 LYS 66 -5.194 6.590 -8.720 511 2HE LYS 66 HE1 LYS 66 -4.387 5.024 -8.637 512 1HZ LYS 66 HZ1 LYS 66 -7.260 5.538 -9.169 513 2HZ LYS 66 HZ2 LYS 66 -6.618 3.992 -8.874 514 3HZ LYS 66 HZ3 LYS 66 -6.121 4.876 -10.236 515 H GLU 67 HN GLU 67 -2.882 7.414 -2.777 516 HA GLU 67 HA GLU 67 -4.620 9.774 -2.369 517 1HB GLU 67 HB2 GLU 67 -3.313 8.106 -0.332 518 2HB GLU 67 HB1 GLU 67 -3.279 9.827 -0.072 519 1HG GLU 67 HG2 GLU 67 -5.881 8.658 -0.900 520 2HG GLU 67 HG1 GLU 67 -5.336 8.286 0.736 521 H THR 68 HN THR 68 -3.543 11.323 -3.493 522 HA THR 68 HA THR 68 -0.623 11.671 -2.961 523 HB THR 68 HB THR 68 -0.148 12.006 -5.291 524 HG1 THR 68 HG1 THR 68 -1.727 12.179 -6.801 525 1HG2 THR 68 HG21 THR 68 -0.569 9.839 -6.195 526 2HG2 THR 68 HG22 THR 68 -2.048 9.656 -5.253 527 3HG2 THR 68 HG23 THR 68 -0.479 9.618 -4.448 528 H ASP 69 HN ASP 69 -3.038 12.968 -1.927 529 HA ASP 69 HA ASP 69 -3.256 15.545 -3.292 530 1HB ASP 69 HB2 ASP 69 -4.237 14.695 -0.563 531 2HB ASP 69 HB1 ASP 69 -4.740 16.148 -1.429 532 H GLY 70 HN GLY 70 -0.820 14.329 -1.625 533 1HA GLY 70 HA2 GLY 70 0.973 16.116 -1.292 534 2HA GLY 70 HA1 GLY 70 -0.169 16.789 -0.159 535 H LEU 71 HN LEU 71 2.466 15.165 -0.234 536 HA LEU 71 HA LEU 71 2.484 12.816 1.092 537 1HB LEU 71 HB2 LEU 71 4.162 15.216 1.854 538 2HB LEU 71 HB1 LEU 71 4.489 13.569 2.353 539 HG LEU 71 HG LEU 71 4.091 14.026 -0.530 540 1HD1 LEU 71 HD11 LEU 71 6.673 14.472 -0.559 541 2HD1 LEU 71 HD12 LEU 71 6.405 15.058 1.082 542 3HD1 LEU 71 HD13 LEU 71 5.575 15.822 -0.273 543 1HD2 LEU 71 HD21 LEU 71 6.032 12.353 -0.509 544 2HD2 LEU 71 HD22 LEU 71 4.502 11.784 0.158 545 3HD2 LEU 71 HD23 LEU 71 5.803 12.282 1.238 546 HA PRO 72 HA PRO 72 3.369 11.761 2.517 547 1HB PRO 72 HB2 PRO 72 2.381 9.716 4.024 548 2HB PRO 72 HB1 PRO 72 3.608 10.845 4.635 549 1HG PRO 72 HG2 PRO 72 0.697 10.719 5.236 550 2HG PRO 72 HG1 PRO 72 2.019 11.279 6.277 551 1HD PRO 72 HD2 PRO 72 0.234 12.941 4.852 552 2HD PRO 72 HD1 PRO 72 1.793 13.457 5.535 553 H TYR 73 HN TYR 73 2.817 10.186 0.991 554 HA TYR 73 HA TYR 73 0.217 10.268 -0.209 555 1HB TYR 73 HB2 TYR 73 2.144 8.058 -0.661 556 2HB TYR 73 HB1 TYR 73 1.034 8.790 -1.812 557 HD1 TYR 73 HD1 TYR 73 4.291 8.718 -0.487 558 HD2 TYR 73 HD2 TYR 73 1.496 11.253 -2.485 559 HE1 TYR 73 HE1 TYR 73 6.175 10.091 -1.318 560 HE2 TYR 73 HE2 TYR 73 3.345 12.688 -3.286 561 HH TYR 73 HH TYR 73 6.750 11.816 -2.640 562 H ARG 74 HN ARG 74 -1.204 8.316 -0.487 563 HA ARG 74 HA ARG 74 -0.695 6.158 1.416 564 1HB ARG 74 HB2 ARG 74 -3.037 8.026 1.573 565 2HB ARG 74 HB1 ARG 74 -3.197 6.336 2.068 566 1HG ARG 74 HG2 ARG 74 -1.804 6.555 3.837 567 2HG ARG 74 HG1 ARG 74 -0.833 7.783 3.063 568 1HD ARG 74 HD2 ARG 74 -2.057 9.463 3.965 569 2HD ARG 74 HD1 ARG 74 -3.574 8.674 3.535 570 HE ARG 74 HE ARG 74 -2.881 7.174 5.646 571 1HH1 ARG 74 HH21 ARG 74 -1.314 10.088 5.630 572 2HH1 ARG 74 HH22 ARG 74 -2.041 10.713 7.073 573 1HH2 ARG 74 HH11 ARG 74 -4.393 8.176 7.305 574 2HH2 ARG 74 HH12 ARG 74 -3.783 9.631 8.021 575 H TYR 75 HN TYR 75 -1.857 4.286 0.861 576 HA TYR 75 HA TYR 75 -3.402 4.374 -1.623 577 1HB TYR 75 HB2 TYR 75 -1.211 2.393 -1.574 578 2HB TYR 75 HB1 TYR 75 -1.992 3.173 -2.951 579 HD1 TYR 75 HD1 TYR 75 -1.539 5.754 -3.219 580 HD2 TYR 75 HD2 TYR 75 0.774 3.119 -0.822 581 HE1 TYR 75 HE1 TYR 75 0.369 7.331 -3.374 582 HE2 TYR 75 HE2 TYR 75 2.716 4.681 -0.941 583 HH TYR 75 HH TYR 75 3.343 6.777 -1.534 584 H LEU 76 HN LEU 76 -5.093 2.935 -1.316 585 HA LEU 76 HA LEU 76 -4.777 1.027 0.815 586 1HB LEU 76 HB2 LEU 76 -6.959 2.135 0.602 587 2HB LEU 76 HB1 LEU 76 -7.133 1.494 -1.016 588 HG LEU 76 HG LEU 76 -6.748 -0.805 0.049 589 1HD1 LEU 76 HD11 LEU 76 -7.434 -0.922 2.431 590 2HD1 LEU 76 HD12 LEU 76 -7.432 0.841 2.490 591 3HD1 LEU 76 HD13 LEU 76 -5.928 -0.034 2.205 592 1HD2 LEU 76 HD21 LEU 76 -9.275 -0.065 1.139 593 2HD2 LEU 76 HD22 LEU 76 -8.917 -0.953 -0.342 594 3HD2 LEU 76 HD23 LEU 76 -9.005 0.810 -0.367 595 H ILE 77 HN ILE 77 -4.942 -1.345 0.256 596 HA ILE 77 HA ILE 77 -4.879 -1.883 -2.639 597 HB ILE 77 HB ILE 77 -2.781 -2.904 -0.720 598 1HG1 ILE 77 HG12 ILE 77 -2.884 -0.508 -2.536 599 2HG1 ILE 77 HG11 ILE 77 -2.318 -0.608 -0.875 600 1HG2 ILE 77 HG21 ILE 77 -2.376 -2.834 -3.666 601 2HG2 ILE 77 HG22 ILE 77 -3.561 -4.000 -3.076 602 3HG2 ILE 77 HG23 ILE 77 -1.900 -4.063 -2.496 603 1HD1 ILE 77 HD11 ILE 77 -0.470 -0.368 -2.564 604 2HD1 ILE 77 HD12 ILE 77 -0.924 -1.945 -3.209 605 3HD1 ILE 77 HD13 ILE 77 -0.331 -1.807 -1.553 606 H ARG 78 HN ARG 78 -6.594 -3.295 -2.806 607 HA ARG 78 HA ARG 78 -7.273 -5.099 -0.624 608 1HB ARG 78 HB2 ARG 78 -9.045 -4.439 -2.127 609 2HB ARG 78 HB1 ARG 78 -8.133 -4.997 -3.530 610 1HG ARG 78 HG2 ARG 78 -8.185 -7.321 -2.447 611 2HG ARG 78 HG1 ARG 78 -9.405 -6.665 -1.357 612 1HD ARG 78 HD2 ARG 78 -10.972 -7.013 -2.928 613 2HD ARG 78 HD1 ARG 78 -10.134 -5.881 -3.990 614 HE ARG 78 HE ARG 78 -8.733 -7.938 -4.680 615 1HH1 ARG 78 HH21 ARG 78 -11.495 -7.791 -5.915 616 2HH1 ARG 78 HH22 ARG 78 -12.080 -9.399 -5.647 617 1HH2 ARG 78 HH11 ARG 78 -9.676 -10.159 -3.266 618 2HH2 ARG 78 HH12 ARG 78 -11.051 -10.739 -4.147 619 H LYS 79 HN LYS 79 -5.882 -6.735 -0.112 620 HA LYS 79 HA LYS 79 -3.978 -7.843 -1.991 621 1HB LYS 79 HB2 LYS 79 -4.292 -7.862 0.766 622 2HB LYS 79 HB1 LYS 79 -4.612 -9.534 0.310 623 1HG LYS 79 HG2 LYS 79 -2.222 -8.014 -0.744 624 2HG LYS 79 HG1 LYS 79 -2.160 -8.918 0.769 625 1HD LYS 79 HD2 LYS 79 -3.209 -10.257 -1.706 626 2HD LYS 79 HD1 LYS 79 -1.467 -10.103 -1.472 627 1HE LYS 79 HE2 LYS 79 -1.674 -11.199 0.737 628 2HE LYS 79 HE1 LYS 79 -3.410 -11.378 0.478 629 1HZ LYS 79 HZ1 LYS 79 -2.957 -12.721 -1.467 630 2HZ LYS 79 HZ2 LYS 79 -2.198 -13.392 -0.104 631 3HZ LYS 79 HZ3 LYS 79 -1.286 -12.530 -1.250 632 H GLY 80 HN GLY 80 -4.756 -8.982 -3.684 633 1HA GLY 80 HA2 GLY 80 -5.850 -11.528 -3.520 634 2HA GLY 80 HA1 GLY 80 -7.249 -10.457 -3.586 635 H GLY 81 HN GLY 81 -6.702 -12.265 -5.632 636 1HA GLY 81 HA2 GLY 81 -6.406 -10.400 -7.897 637 2HA GLY 81 HA1 GLY 81 -5.255 -11.736 -7.843 Start of MODEL 15 1 1H MET 1 HT1 MET 1 -20.671 6.382 4.097 2 2H MET 1 HT2 MET 1 -20.560 5.199 5.312 3 3H MET 1 HT3 MET 1 -21.930 6.200 5.220 4 HA MET 1 HA MET 1 -22.514 4.069 4.350 5 1HB MET 1 HB2 MET 1 -22.147 6.313 2.369 6 2HB MET 1 HB1 MET 1 -22.899 4.792 1.887 7 1HG MET 1 HG2 MET 1 -24.840 5.420 2.830 8 2HG MET 1 HG1 MET 1 -24.037 5.637 4.385 9 1HE MET 1 HE1 MET 1 -25.508 7.650 5.166 10 2HE MET 1 HE2 MET 1 -26.451 7.198 3.750 11 3HE MET 1 HE3 MET 1 -26.069 8.892 4.040 12 H THR 2 HN THR 2 -20.656 5.146 1.567 13 HA THR 2 HA THR 2 -19.159 2.560 1.688 14 HB THR 2 HB THR 2 -18.858 3.102 -0.849 15 HG1 THR 2 HG1 THR 2 -19.687 5.034 -1.157 16 1HG2 THR 2 HG21 THR 2 -21.708 2.528 -0.426 17 2HG2 THR 2 HG22 THR 2 -20.632 1.557 0.579 18 3HG2 THR 2 HG23 THR 2 -20.461 1.535 -1.177 19 H ASP 3 HN ASP 3 -17.131 2.953 2.460 20 HA ASP 3 HA ASP 3 -15.759 5.445 1.540 21 1HB ASP 3 HB2 ASP 3 -15.800 3.974 4.118 22 2HB ASP 3 HB1 ASP 3 -14.234 4.611 3.618 23 H LEU 4 HN LEU 4 -13.474 5.236 1.002 24 HA LEU 4 HA LEU 4 -12.862 2.568 -0.151 25 1HB LEU 4 HB2 LEU 4 -11.245 5.084 -0.549 26 2HB LEU 4 HB1 LEU 4 -11.377 3.684 -1.615 27 HG LEU 4 HG LEU 4 -13.711 5.500 -0.965 28 1HD1 LEU 4 HD11 LEU 4 -11.445 6.122 -2.523 29 2HD1 LEU 4 HD12 LEU 4 -12.985 6.983 -2.495 30 3HD1 LEU 4 HD13 LEU 4 -12.713 5.700 -3.675 31 1HD2 LEU 4 HD21 LEU 4 -13.477 3.843 -3.438 32 2HD2 LEU 4 HD22 LEU 4 -14.907 4.242 -2.488 33 3HD2 LEU 4 HD23 LEU 4 -13.794 2.995 -1.925 34 H PHE 5 HN PHE 5 -11.108 5.145 1.624 35 HA PHE 5 HA PHE 5 -9.106 3.183 2.509 36 1HB PHE 5 HB2 PHE 5 -9.423 6.147 2.641 37 2HB PHE 5 HB1 PHE 5 -8.417 5.378 3.869 38 HD1 PHE 5 HD1 PHE 5 -6.482 6.639 2.851 39 HD2 PHE 5 HD2 PHE 5 -8.664 3.647 0.686 40 HE1 PHE 5 HE1 PHE 5 -4.643 6.428 1.211 41 HE2 PHE 5 HE2 PHE 5 -6.782 3.468 -0.920 42 HZ PHE 5 HZ PHE 5 -4.782 4.905 -0.677 43 H SER 6 HN SER 6 -12.100 3.385 3.437 44 HA SER 6 HA SER 6 -12.316 4.077 6.126 45 1HB SER 6 HB2 SER 6 -14.278 3.260 5.084 46 2HB SER 6 HB1 SER 6 -13.492 1.772 4.570 47 HG SER 6 HG SER 6 -14.520 2.512 7.055 48 H SER 7 HN SER 7 -12.462 2.294 7.967 49 HA SER 7 HA SER 7 -9.897 1.502 8.694 50 1HB SER 7 HB2 SER 7 -11.116 -0.351 10.033 51 2HB SER 7 HB1 SER 7 -11.554 1.321 10.369 52 HG SER 7 HG SER 7 -12.892 -0.322 8.481 53 HA PRO 8 HA PRO 8 -9.427 -1.586 5.426 54 1HB PRO 8 HB2 PRO 8 -6.683 -1.572 5.542 55 2HB PRO 8 HB1 PRO 8 -7.632 -0.397 4.620 56 1HG PRO 8 HG2 PRO 8 -6.211 -0.033 7.220 57 2HG PRO 8 HG1 PRO 8 -6.580 1.163 5.968 58 1HD PRO 8 HD2 PRO 8 -7.988 0.838 8.387 59 2HD PRO 8 HD1 PRO 8 -8.558 1.746 6.972 60 H ASP 9 HN ASP 9 -8.342 -3.755 5.448 61 HA ASP 9 HA ASP 9 -8.663 -5.039 8.033 62 1HB ASP 9 HB2 ASP 9 -7.647 -6.005 5.349 63 2HB ASP 9 HB1 ASP 9 -7.739 -7.054 6.765 64 H HIS 10 HN HIS 10 -6.024 -3.633 6.267 65 HA HIS 10 HA HIS 10 -4.215 -4.267 8.530 66 1HB HIS 10 HB2 HIS 10 -3.791 -5.007 5.638 67 2HB HIS 10 HB1 HIS 10 -2.434 -4.781 6.734 68 HD1 HIS 10 HD1 HIS 10 -1.928 -6.668 8.360 69 HD2 HIS 10 HD2 HIS 10 -5.615 -7.133 6.472 70 HE1 HIS 10 HE1 HIS 10 -2.781 -8.963 9.011 71 H THR 11 HN THR 11 -2.051 -2.978 8.135 72 HA THR 11 HA THR 11 -2.494 -0.523 6.536 73 HB THR 11 HB THR 11 -1.734 -0.463 9.454 74 HG1 THR 11 HG1 THR 11 -3.843 -0.912 9.488 75 1HG2 THR 11 HG21 THR 11 -2.530 2.031 8.893 76 2HG2 THR 11 HG22 THR 11 -2.000 1.557 7.279 77 3HG2 THR 11 HG23 THR 11 -0.867 1.504 8.630 78 H LEU 12 HN LEU 12 -0.458 0.724 6.314 79 HA LEU 12 HA LEU 12 2.020 -0.679 7.138 80 1HB LEU 12 HB2 LEU 12 1.733 -1.679 4.988 81 2HB LEU 12 HB1 LEU 12 1.218 -0.153 4.281 82 HG LEU 12 HG LEU 12 3.438 0.758 4.301 83 1HD1 LEU 12 HD11 LEU 12 5.246 -0.731 5.533 84 2HD1 LEU 12 HD12 LEU 12 3.855 -1.316 6.445 85 3HD1 LEU 12 HD13 LEU 12 4.258 0.399 6.456 86 1HD2 LEU 12 HD21 LEU 12 3.358 -2.177 3.643 87 2HD2 LEU 12 HD22 LEU 12 4.891 -1.312 3.571 88 3HD2 LEU 12 HD23 LEU 12 3.544 -0.794 2.566 89 H ASP 13 HN ASP 13 2.996 1.007 8.201 90 HA ASP 13 HA ASP 13 2.687 3.766 7.284 91 1HB ASP 13 HB2 ASP 13 3.114 3.029 9.708 92 2HB ASP 13 HB1 ASP 13 4.779 2.718 9.213 93 H ALA 14 HN ALA 14 4.119 4.842 5.862 94 HA ALA 14 HA ALA 14 6.679 3.447 5.309 95 1HB ALA 14 HB1 ALA 14 5.193 4.427 2.929 96 2HB ALA 14 HB2 ALA 14 4.700 2.892 3.648 97 3HB ALA 14 HB3 ALA 14 6.353 3.107 3.074 98 H LEU 15 HN LEU 15 5.475 5.861 6.541 99 HA LEU 15 HA LEU 15 6.651 8.126 5.152 100 1HB LEU 15 HB2 LEU 15 5.802 8.167 8.013 101 2HB LEU 15 HB1 LEU 15 5.643 9.385 6.760 102 HG LEU 15 HG LEU 15 4.034 6.845 6.990 103 1HD1 LEU 15 HD11 LEU 15 2.783 9.517 6.753 104 2HD1 LEU 15 HD12 LEU 15 3.605 9.180 8.277 105 3HD1 LEU 15 HD13 LEU 15 2.302 8.128 7.726 106 1HD2 LEU 15 HD21 LEU 15 3.836 9.007 4.883 107 2HD2 LEU 15 HD22 LEU 15 2.987 7.468 4.923 108 3HD2 LEU 15 HD23 LEU 15 4.722 7.504 4.643 109 H GLY 16 HN GLY 16 8.775 7.978 5.100 110 1HA GLY 16 HA2 GLY 16 10.916 8.387 6.216 111 2HA GLY 16 HA1 GLY 16 10.260 7.589 7.655 112 H LEU 17 HN LEU 17 9.097 5.857 5.144 113 HA LEU 17 HA LEU 17 11.190 3.783 5.370 114 1HB LEU 17 HB2 LEU 17 8.380 3.749 4.225 115 2HB LEU 17 HB1 LEU 17 9.478 2.375 4.190 116 HG LEU 17 HG LEU 17 8.041 3.602 6.502 117 1HD1 LEU 17 HD11 LEU 17 7.143 1.584 5.541 118 2HD1 LEU 17 HD12 LEU 17 7.943 1.107 7.040 119 3HD1 LEU 17 HD13 LEU 17 8.737 0.832 5.488 120 1HD2 LEU 17 HD21 LEU 17 10.754 2.296 6.559 121 2HD2 LEU 17 HD22 LEU 17 9.661 2.214 7.943 122 3HD2 LEU 17 HD23 LEU 17 10.232 3.778 7.360 123 H ARG 18 HN ARG 18 12.099 2.948 3.421 124 HA ARG 18 HA ARG 18 11.313 4.408 0.973 125 1HB ARG 18 HB2 ARG 18 13.843 4.701 0.497 126 2HB ARG 18 HB1 ARG 18 13.020 5.808 1.597 127 1HG ARG 18 HG2 ARG 18 13.919 4.748 3.524 128 2HG ARG 18 HG1 ARG 18 14.419 3.330 2.601 129 1HD ARG 18 HD2 ARG 18 16.365 4.742 3.106 130 2HD ARG 18 HD1 ARG 18 16.057 4.725 1.369 131 HE ARG 18 HE ARG 18 15.388 7.012 1.501 132 1HH1 ARG 18 HH11 ARG 18 17.574 6.804 3.720 133 2HH1 ARG 18 HH12 ARG 18 16.828 7.756 4.959 134 1HH2 ARG 18 HH21 ARG 18 13.695 7.717 3.475 135 2HH2 ARG 18 HH22 ARG 18 14.632 8.273 4.822 136 H CYS 19 HN CYS 19 11.760 3.264 -0.906 137 HA CYS 19 HA CYS 19 11.590 0.480 -0.826 138 1HB CYS 19 HB2 CYS 19 11.219 1.569 -2.902 139 2HB CYS 19 HB1 CYS 19 12.833 2.273 -2.915 140 HG CYS 19 HG CYS 19 13.822 0.039 -3.600 141 HA PRO 20 HA PRO 20 12.014 -1.300 -1.507 142 1HB PRO 20 HB2 PRO 20 12.868 -3.716 -0.564 143 2HB PRO 20 HB1 PRO 20 13.425 -3.038 -2.105 144 1HG PRO 20 HG2 PRO 20 14.892 -3.278 0.473 145 2HG PRO 20 HG1 PRO 20 15.533 -3.172 -1.172 146 1HD PRO 20 HD2 PRO 20 15.384 -1.067 0.751 147 2HD PRO 20 HD1 PRO 20 15.863 -0.923 -0.955 148 H GLU 21 HN GLU 21 13.054 -0.389 1.509 149 HA GLU 21 HA GLU 21 11.972 -2.147 3.364 150 1HB GLU 21 HB2 GLU 21 12.253 0.808 3.454 151 2HB GLU 21 HB1 GLU 21 11.662 -0.094 4.840 152 1HG GLU 21 HG2 GLU 21 14.083 -1.237 3.622 153 2HG GLU 21 HG1 GLU 21 14.320 0.379 4.288 154 HA PRO 22 HA PRO 22 7.755 0.041 3.346 155 1HB PRO 22 HB2 PRO 22 7.131 1.327 0.990 156 2HB PRO 22 HB1 PRO 22 7.796 2.138 2.406 157 1HG PRO 22 HG2 PRO 22 9.155 1.380 -0.136 158 2HG PRO 22 HG1 PRO 22 9.508 2.722 0.968 159 1HD PRO 22 HD2 PRO 22 10.961 0.351 0.838 160 2HD PRO 22 HD1 PRO 22 10.968 1.445 2.226 161 H VAL 23 HN VAL 23 8.475 -0.475 -0.081 162 HA VAL 23 HA VAL 23 6.343 -2.160 -0.752 163 HB VAL 23 HB VAL 23 9.253 -2.346 -1.581 164 1HG1 VAL 23 HG11 VAL 23 6.767 -3.745 -2.546 165 2HG1 VAL 23 HG12 VAL 23 8.361 -4.424 -2.215 166 3HG1 VAL 23 HG13 VAL 23 8.105 -3.439 -3.655 167 1HG2 VAL 23 HG21 VAL 23 8.806 -0.727 -3.127 168 2HG2 VAL 23 HG22 VAL 23 7.493 -0.305 -2.027 169 3HG2 VAL 23 HG23 VAL 23 7.178 -1.330 -3.426 170 H MET 24 HN MET 24 9.182 -2.774 1.220 171 HA MET 24 HA MET 24 8.997 -5.665 1.172 172 1HB MET 24 HB2 MET 24 10.422 -3.626 2.826 173 2HB MET 24 HB1 MET 24 10.268 -5.256 3.480 174 1HG MET 24 HG2 MET 24 11.376 -6.216 1.584 175 2HG MET 24 HG1 MET 24 11.293 -4.698 0.688 176 1HE MET 24 HE1 MET 24 14.606 -5.979 1.211 177 2HE MET 24 HE2 MET 24 13.205 -6.928 1.703 178 3HE MET 24 HE3 MET 24 14.424 -6.489 2.896 179 H MET 25 HN MET 25 7.809 -3.184 3.433 180 HA MET 25 HA MET 25 6.667 -4.975 5.322 181 1HB MET 25 HB2 MET 25 6.203 -2.119 4.558 182 2HB MET 25 HB1 MET 25 5.020 -2.908 5.602 183 1HG MET 25 HG2 MET 25 7.978 -3.035 6.191 184 2HG MET 25 HG1 MET 25 6.980 -1.696 6.760 185 1HE MET 25 HE1 MET 25 8.703 -4.048 8.422 186 2HE MET 25 HE2 MET 25 8.210 -5.153 7.140 187 3HE MET 25 HE3 MET 25 7.743 -5.484 8.807 188 H VAL 26 HN VAL 26 5.285 -3.522 2.364 189 HA VAL 26 HA VAL 26 2.670 -4.657 2.727 190 HB VAL 26 HB VAL 26 4.118 -4.033 0.139 191 1HG1 VAL 26 HG11 VAL 26 2.261 -4.734 -0.961 192 2HG1 VAL 26 HG12 VAL 26 1.206 -3.838 0.131 193 3HG1 VAL 26 HG13 VAL 26 1.734 -5.465 0.555 194 1HG2 VAL 26 HG21 VAL 26 3.886 -1.949 1.146 195 2HG2 VAL 26 HG22 VAL 26 2.463 -2.440 2.062 196 3HG2 VAL 26 HG23 VAL 26 2.324 -2.083 0.342 197 H ARG 27 HN ARG 27 5.694 -6.003 1.562 198 HA ARG 27 HA ARG 27 4.590 -8.316 0.245 199 1HB ARG 27 HB2 ARG 27 7.263 -7.558 1.293 200 2HB ARG 27 HB1 ARG 27 6.937 -9.291 1.159 201 1HG ARG 27 HG2 ARG 27 7.691 -8.916 -0.980 202 2HG ARG 27 HG1 ARG 27 5.990 -8.514 -1.227 203 1HD ARG 27 HD2 ARG 27 6.388 -6.222 -1.177 204 2HD ARG 27 HD1 ARG 27 7.892 -6.403 -0.285 205 HE ARG 27 HE ARG 27 7.711 -6.292 -3.117 206 1HH1 ARG 27 HH11 ARG 27 10.066 -6.539 -0.962 207 2HH1 ARG 27 HH12 ARG 27 10.992 -7.779 -1.739 208 1HH2 ARG 27 HH21 ARG 27 8.486 -8.613 -3.985 209 2HH2 ARG 27 HH22 ARG 27 10.098 -8.953 -3.450 210 H LYS 28 HN LYS 28 6.040 -8.002 3.463 211 HA LYS 28 HA LYS 28 5.334 -10.615 4.380 212 1HB LYS 28 HB2 LYS 28 5.926 -8.031 5.844 213 2HB LYS 28 HB1 LYS 28 5.561 -9.530 6.700 214 1HG LYS 28 HG2 LYS 28 7.419 -10.623 5.358 215 2HG LYS 28 HG1 LYS 28 7.862 -9.008 4.802 216 1HD LYS 28 HD2 LYS 28 7.552 -8.826 7.611 217 2HD LYS 28 HD1 LYS 28 8.497 -10.285 7.307 218 1HE LYS 28 HE2 LYS 28 9.378 -8.128 5.586 219 2HE LYS 28 HE1 LYS 28 9.437 -7.634 7.278 220 1HZ LYS 28 HZ1 LYS 28 10.523 -10.227 6.356 221 2HZ LYS 28 HZ2 LYS 28 10.824 -9.421 7.821 222 3HZ LYS 28 HZ3 LYS 28 11.460 -8.813 6.367 223 H THR 29 HN THR 29 3.722 -7.519 4.504 224 HA THR 29 HA THR 29 1.428 -8.305 6.039 225 HB THR 29 HB THR 29 2.248 -6.114 4.221 226 HG1 THR 29 HG1 THR 29 1.208 -5.005 6.149 227 1HG2 THR 29 HG21 THR 29 -0.050 -6.686 3.436 228 2HG2 THR 29 HG22 THR 29 0.067 -5.075 4.138 229 3HG2 THR 29 HG23 THR 29 -0.637 -6.394 5.074 230 H VAL 30 HN VAL 30 2.404 -8.402 2.701 231 HA VAL 30 HA VAL 30 -0.160 -9.218 1.607 232 HB VAL 30 HB VAL 30 2.709 -9.182 0.678 233 1HG1 VAL 30 HG11 VAL 30 0.375 -10.528 -0.664 234 2HG1 VAL 30 HG12 VAL 30 1.955 -11.214 -0.282 235 3HG1 VAL 30 HG13 VAL 30 1.804 -9.996 -1.551 236 1HG2 VAL 30 HG21 VAL 30 0.376 -8.052 -0.823 237 2HG2 VAL 30 HG22 VAL 30 2.033 -7.460 -0.729 238 3HG2 VAL 30 HG23 VAL 30 0.930 -7.216 0.626 239 H ARG 31 HN ARG 31 2.564 -10.683 3.127 240 HA ARG 31 HA ARG 31 2.014 -13.423 2.350 241 1HB ARG 31 HB2 ARG 31 3.690 -12.209 4.565 242 2HB ARG 31 HB1 ARG 31 3.625 -13.938 4.227 243 1HG ARG 31 HG2 ARG 31 4.510 -13.580 1.981 244 2HG ARG 31 HG1 ARG 31 4.461 -11.836 2.204 245 1HD ARG 31 HD2 ARG 31 6.450 -11.842 3.253 246 2HD ARG 31 HD1 ARG 31 5.910 -13.091 4.374 247 HE ARG 31 HE ARG 31 6.798 -14.764 2.878 248 1HH1 ARG 31 HH21 ARG 31 9.019 -12.686 2.884 249 2HH1 ARG 31 HH22 ARG 31 9.366 -12.556 1.192 250 1HH2 ARG 31 HH11 ARG 31 6.423 -14.100 0.200 251 2HH2 ARG 31 HH12 ARG 31 7.895 -13.356 -0.328 252 H ASN 32 HN ASN 32 1.105 -11.258 5.012 253 HA ASN 32 HA ASN 32 -0.362 -13.565 6.237 254 1HB ASN 32 HB2 ASN 32 -0.223 -12.526 8.292 255 2HB ASN 32 HB1 ASN 32 1.217 -11.849 7.541 256 1HD2 ASN 32 HD21 ASN 32 0.430 -9.803 6.042 257 2HD2 ASN 32 HD22 ASN 32 -0.502 -8.670 6.895 258 H MET 33 HN MET 33 -0.988 -11.526 3.881 259 HA MET 33 HA MET 33 -3.651 -10.638 4.838 260 1HB MET 33 HB2 MET 33 -1.873 -9.896 2.565 261 2HB MET 33 HB1 MET 33 -3.611 -9.781 2.290 262 1HG MET 33 HG2 MET 33 -3.523 -8.593 4.681 263 2HG MET 33 HG1 MET 33 -1.885 -8.226 4.167 264 1HE MET 33 HE1 MET 33 -5.606 -7.415 1.651 265 2HE MET 33 HE2 MET 33 -5.801 -7.409 3.401 266 3HE MET 33 HE3 MET 33 -5.187 -8.850 2.596 267 H GLN 34 HN GLN 34 -5.391 -10.882 3.016 268 HA GLN 34 HA GLN 34 -5.212 -13.558 1.727 269 1HB GLN 34 HB2 GLN 34 -7.416 -12.589 3.572 270 2HB GLN 34 HB1 GLN 34 -7.576 -13.989 2.512 271 1HG GLN 34 HG2 GLN 34 -6.113 -15.269 3.749 272 2HG GLN 34 HG1 GLN 34 -5.172 -13.872 4.275 273 1HE2 GLN 34 HE21 GLN 34 -5.333 -13.931 6.540 274 2HE2 GLN 34 HE22 GLN 34 -6.798 -14.018 7.393 275 HA PRO 35 HA PRO 35 -7.055 -11.409 -1.601 276 1HB PRO 35 HB2 PRO 35 -8.435 -13.477 -2.803 277 2HB PRO 35 HB1 PRO 35 -6.684 -13.238 -2.937 278 1HG PRO 35 HG2 PRO 35 -8.193 -15.215 -1.273 279 2HG PRO 35 HG1 PRO 35 -6.578 -15.355 -1.991 280 1HD PRO 35 HD2 PRO 35 -7.081 -14.789 0.708 281 2HD PRO 35 HD1 PRO 35 -5.552 -14.456 -0.133 282 H GLY 36 HN GLY 36 -8.722 -10.057 -1.432 283 1HA GLY 36 HA2 GLY 36 -11.140 -9.635 -1.504 284 2HA GLY 36 HA1 GLY 36 -11.357 -11.057 -0.472 285 H GLU 37 HN GLU 37 -8.617 -9.093 0.214 286 HA GLU 37 HA GLU 37 -10.073 -7.898 2.543 287 1HB GLU 37 HB2 GLU 37 -7.469 -9.342 2.334 288 2HB GLU 37 HB1 GLU 37 -7.573 -8.004 3.473 289 1HG GLU 37 HG2 GLU 37 -9.737 -9.099 4.319 290 2HG GLU 37 HG1 GLU 37 -9.234 -10.524 3.409 291 H THR 38 HN THR 38 -8.334 -6.083 3.475 292 HA THR 38 HA THR 38 -7.359 -4.531 1.132 293 HB THR 38 HB THR 38 -8.358 -2.482 2.454 294 HG1 THR 38 HG1 THR 38 -9.660 -3.034 3.986 295 1HG2 THR 38 HG21 THR 38 -10.639 -3.725 1.222 296 2HG2 THR 38 HG22 THR 38 -9.194 -4.107 0.287 297 3HG2 THR 38 HG23 THR 38 -9.624 -2.424 0.599 298 H LEU 39 HN LEU 39 -5.760 -2.956 1.650 299 HA LEU 39 HA LEU 39 -4.642 -2.987 4.414 300 1HB LEU 39 HB2 LEU 39 -3.369 -4.726 3.370 301 2HB LEU 39 HB1 LEU 39 -3.199 -3.808 1.877 302 HG LEU 39 HG LEU 39 -2.048 -2.049 3.539 303 1HD1 LEU 39 HD11 LEU 39 -0.583 -3.603 5.060 304 2HD1 LEU 39 HD12 LEU 39 -1.955 -4.703 4.924 305 3HD1 LEU 39 HD13 LEU 39 -2.177 -3.094 5.608 306 1HD2 LEU 39 HD21 LEU 39 0.143 -3.244 3.009 307 2HD2 LEU 39 HD22 LEU 39 -0.893 -2.903 1.622 308 3HD2 LEU 39 HD23 LEU 39 -0.835 -4.530 2.302 309 H LEU 40 HN LEU 40 -4.474 -0.812 4.890 310 HA LEU 40 HA LEU 40 -4.199 1.143 2.703 311 1HB LEU 40 HB2 LEU 40 -5.732 1.790 4.440 312 2HB LEU 40 HB1 LEU 40 -4.554 1.423 5.701 313 HG LEU 40 HG LEU 40 -3.064 3.206 4.673 314 1HD1 LEU 40 HD11 LEU 40 -4.952 4.841 3.453 315 2HD1 LEU 40 HD12 LEU 40 -5.329 3.238 2.821 316 3HD1 LEU 40 HD13 LEU 40 -3.709 3.906 2.621 317 1HD2 LEU 40 HD21 LEU 40 -5.105 4.981 5.378 318 2HD2 LEU 40 HD22 LEU 40 -3.927 4.262 6.476 319 3HD2 LEU 40 HD23 LEU 40 -5.502 3.500 6.248 320 H ILE 41 HN ILE 41 -2.339 2.469 2.464 321 HA ILE 41 HA ILE 41 -0.009 1.806 4.201 322 HB ILE 41 HB ILE 41 0.223 1.899 1.196 323 1HG1 ILE 41 HG12 ILE 41 -0.691 -0.359 2.978 324 2HG1 ILE 41 HG11 ILE 41 -1.319 0.147 1.419 325 1HG2 ILE 41 HG21 ILE 41 1.971 0.099 2.638 326 2HG2 ILE 41 HG22 ILE 41 2.043 1.711 3.340 327 3HG2 ILE 41 HG23 ILE 41 2.392 1.479 1.628 328 1HD1 ILE 41 HD11 ILE 41 -0.076 -1.462 0.468 329 2HD1 ILE 41 HD12 ILE 41 0.744 -1.795 1.991 330 3HD1 ILE 41 HD13 ILE 41 1.357 -0.538 0.917 331 H ILE 42 HN ILE 42 0.929 3.751 4.847 332 HA ILE 42 HA ILE 42 0.459 6.091 3.083 333 HB ILE 42 HB ILE 42 1.816 6.295 5.745 334 1HG1 ILE 42 HG12 ILE 42 -1.091 5.681 5.244 335 2HG1 ILE 42 HG11 ILE 42 -0.010 4.998 6.461 336 1HG2 ILE 42 HG21 ILE 42 0.993 8.089 3.797 337 2HG2 ILE 42 HG22 ILE 42 1.347 8.504 5.470 338 3HG2 ILE 42 HG23 ILE 42 -0.311 8.175 4.974 339 1HD1 ILE 42 HD11 ILE 42 -1.513 6.579 7.534 340 2HD1 ILE 42 HD12 ILE 42 -1.063 7.830 6.373 341 3HD1 ILE 42 HD13 ILE 42 0.124 7.236 7.537 342 H ALA 43 HN ALA 43 2.408 7.496 2.820 343 HA ALA 43 HA ALA 43 5.014 6.283 3.222 344 1HB ALA 43 HB1 ALA 43 3.641 5.423 0.956 345 2HB ALA 43 HB2 ALA 43 5.384 5.331 1.202 346 3HB ALA 43 HB3 ALA 43 4.685 6.707 0.347 347 H ASP 44 HN ASP 44 6.381 7.969 3.444 348 HA ASP 44 HA ASP 44 5.533 10.536 2.211 349 1HB ASP 44 HB2 ASP 44 6.910 11.699 3.802 350 2HB ASP 44 HB1 ASP 44 5.921 10.566 4.711 351 H ASP 45 HN ASP 45 7.824 7.969 2.319 352 HA ASP 45 HA ASP 45 9.987 9.243 0.946 353 1HB ASP 45 HB2 ASP 45 10.483 7.178 1.833 354 2HB ASP 45 HB1 ASP 45 8.964 6.488 1.299 355 HA PRO 46 HA PRO 46 8.001 9.891 -2.943 356 1HB PRO 46 HB2 PRO 46 10.267 10.338 -4.433 357 2HB PRO 46 HB1 PRO 46 9.574 11.533 -3.322 358 1HG PRO 46 HG2 PRO 46 12.010 9.849 -2.989 359 2HG PRO 46 HG1 PRO 46 11.622 11.415 -2.258 360 1HD PRO 46 HD2 PRO 46 11.436 8.892 -0.983 361 2HD PRO 46 HD1 PRO 46 10.758 10.414 -0.385 362 H ALA 47 HN ALA 47 10.321 7.424 -2.390 363 HA ALA 47 HA ALA 47 9.932 6.172 -5.042 364 1HB ALA 47 HB1 ALA 47 12.155 5.933 -4.275 365 2HB ALA 47 HB2 ALA 47 11.428 4.361 -3.944 366 3HB ALA 47 HB3 ALA 47 11.639 5.528 -2.638 367 H THR 48 HN THR 48 8.200 6.236 -2.202 368 HA THR 48 HA THR 48 7.439 3.387 -2.239 369 HB THR 48 HB THR 48 5.729 4.282 -0.488 370 HG1 THR 48 HG1 THR 48 7.457 6.357 -0.013 371 1HG2 THR 48 HG21 THR 48 7.235 3.479 0.976 372 2HG2 THR 48 HG22 THR 48 8.316 4.843 0.699 373 3HG2 THR 48 HG23 THR 48 8.391 3.430 -0.353 374 H THR 49 HN THR 49 6.031 6.534 -3.087 375 HA THR 49 HA THR 49 3.413 5.640 -3.737 376 HB THR 49 HB THR 49 3.103 7.691 -4.760 377 HG1 THR 49 HG1 THR 49 4.963 8.652 -5.932 378 1HG2 THR 49 HG21 THR 49 4.676 7.823 -2.589 379 2HG2 THR 49 HG22 THR 49 4.164 9.260 -3.475 380 3HG2 THR 49 HG23 THR 49 5.761 8.569 -3.762 381 H ARG 50 HN ARG 50 6.450 5.446 -5.468 382 HA ARG 50 HA ARG 50 5.057 4.327 -7.841 383 1HB ARG 50 HB2 ARG 50 7.883 5.201 -7.293 384 2HB ARG 50 HB1 ARG 50 7.462 4.302 -8.751 385 1HG ARG 50 HG2 ARG 50 6.904 6.288 -9.672 386 2HG ARG 50 HG1 ARG 50 5.506 6.285 -8.596 387 1HD ARG 50 HD2 ARG 50 6.436 8.272 -7.914 388 2HD ARG 50 HD1 ARG 50 7.358 7.191 -6.869 389 HE ARG 50 HE ARG 50 9.267 7.488 -8.307 390 1HH1 ARG 50 HH11 ARG 50 6.619 8.281 -10.207 391 2HH1 ARG 50 HH12 ARG 50 7.348 9.658 -10.964 392 1HH2 ARG 50 HH21 ARG 50 10.144 9.635 -8.912 393 2HH2 ARG 50 HH22 ARG 50 9.345 10.425 -10.230 394 H ASP 51 HN ASP 51 7.379 3.292 -5.377 395 HA ASP 51 HA ASP 51 7.643 0.663 -6.654 396 1HB ASP 51 HB2 ASP 51 8.750 1.784 -4.068 397 2HB ASP 51 HB1 ASP 51 9.146 0.188 -4.714 398 H ILE 52 HN ILE 52 6.294 1.828 -3.544 399 HA ILE 52 HA ILE 52 5.598 -0.685 -2.509 400 HB ILE 52 HB ILE 52 4.568 2.076 -2.120 401 1HG1 ILE 52 HG12 ILE 52 5.686 -0.152 -0.420 402 2HG1 ILE 52 HG11 ILE 52 6.418 1.410 -0.789 403 1HG2 ILE 52 HG21 ILE 52 2.816 1.260 -0.550 404 2HG2 ILE 52 HG22 ILE 52 3.112 -0.388 -1.106 405 3HG2 ILE 52 HG23 ILE 52 2.462 0.815 -2.219 406 1HD1 ILE 52 HD11 ILE 52 4.623 0.719 1.363 407 2HD1 ILE 52 HD12 ILE 52 3.909 1.987 0.366 408 3HD1 ILE 52 HD13 ILE 52 5.498 2.225 1.092 409 HA PRO 53 HA PRO 53 1.461 -0.568 -4.778 410 1HB PRO 53 HB2 PRO 53 1.275 1.166 -6.899 411 2HB PRO 53 HB1 PRO 53 0.697 1.515 -5.259 412 1HG PRO 53 HG2 PRO 53 3.121 2.534 -6.668 413 2HG PRO 53 HG1 PRO 53 2.190 3.286 -5.361 414 1HD PRO 53 HD2 PRO 53 4.652 1.958 -5.061 415 2HD PRO 53 HD1 PRO 53 3.531 2.360 -3.741 416 H GLY 54 HN GLY 54 4.064 0.471 -7.002 417 1HA GLY 54 HA2 GLY 54 3.486 -1.280 -9.115 418 2HA GLY 54 HA1 GLY 54 5.138 -0.812 -8.674 419 H PHE 55 HN PHE 55 4.666 -1.957 -5.902 420 HA PHE 55 HA PHE 55 5.550 -4.665 -6.555 421 1HB PHE 55 HB2 PHE 55 6.603 -3.988 -4.611 422 2HB PHE 55 HB1 PHE 55 5.221 -3.039 -4.066 423 HD1 PHE 55 HD1 PHE 55 5.491 -6.624 -5.127 424 HD2 PHE 55 HD2 PHE 55 4.570 -3.869 -1.969 425 HE1 PHE 55 HE1 PHE 55 4.718 -8.502 -3.716 426 HE2 PHE 55 HE2 PHE 55 3.809 -5.760 -0.568 427 HZ PHE 55 HZ PHE 55 3.870 -8.067 -1.434 428 H CYS 56 HN CYS 56 2.693 -3.300 -4.827 429 HA CYS 56 HA CYS 56 1.367 -5.768 -4.444 430 1HB CYS 56 HB2 CYS 56 0.369 -2.957 -4.855 431 2HB CYS 56 HB1 CYS 56 -0.752 -4.298 -4.606 432 HG CYS 56 HG CYS 56 0.716 -4.774 -2.337 433 H THR 57 HN THR 57 1.417 -3.668 -7.298 434 HA THR 57 HA THR 57 -0.569 -5.128 -8.769 435 HB THR 57 HB THR 57 1.806 -3.618 -9.891 436 HG1 THR 57 HG1 THR 57 0.516 -1.823 -9.751 437 1HG2 THR 57 HG21 THR 57 -0.081 -3.167 -11.659 438 2HG2 THR 57 HG22 THR 57 -0.812 -4.616 -10.967 439 3HG2 THR 57 HG23 THR 57 0.793 -4.698 -11.692 440 H PHE 58 HN PHE 58 2.882 -5.567 -8.293 441 HA PHE 58 HA PHE 58 3.225 -7.551 -10.366 442 1HB PHE 58 HB2 PHE 58 4.969 -6.083 -8.997 443 2HB PHE 58 HB1 PHE 58 4.991 -7.506 -7.955 444 HD1 PHE 58 HD1 PHE 58 6.453 -6.034 -10.788 445 HD2 PHE 58 HD2 PHE 58 5.097 -9.825 -9.295 446 HE1 PHE 58 HE1 PHE 58 7.931 -7.197 -12.403 447 HE2 PHE 58 HE2 PHE 58 6.575 -10.990 -10.911 448 HZ PHE 58 HZ PHE 58 7.992 -9.676 -12.465 449 H MET 59 HN MET 59 2.244 -7.731 -6.969 450 HA MET 59 HA MET 59 2.529 -10.662 -7.002 451 1HB MET 59 HB2 MET 59 2.011 -8.631 -4.943 452 2HB MET 59 HB1 MET 59 1.354 -10.234 -4.652 453 1HG MET 59 HG2 MET 59 4.242 -9.635 -5.346 454 2HG MET 59 HG1 MET 59 3.643 -10.001 -3.728 455 1HE MET 59 HE1 MET 59 5.024 -10.782 -6.690 456 2HE MET 59 HE2 MET 59 4.422 -12.294 -7.364 457 3HE MET 59 HE3 MET 59 5.734 -12.323 -6.189 458 H GLU 60 HN GLU 60 0.294 -8.770 -8.352 459 HA GLU 60 HA GLU 60 -1.817 -9.407 -9.216 460 1HB GLU 60 HB2 GLU 60 -0.861 -11.813 -8.213 461 2HB GLU 60 HB1 GLU 60 -2.402 -11.601 -7.379 462 1HG GLU 60 HG2 GLU 60 -2.679 -10.852 -10.154 463 2HG GLU 60 HG1 GLU 60 -2.007 -12.478 -10.035 464 H HIS 61 HN HIS 61 -1.255 -7.754 -6.748 465 HA HIS 61 HA HIS 61 -3.766 -8.104 -5.228 466 1HB HIS 61 HB2 HIS 61 -1.512 -6.115 -4.817 467 2HB HIS 61 HB1 HIS 61 -2.802 -6.503 -3.684 468 HD1 HIS 61 HD1 HIS 61 -2.306 -9.647 -4.893 469 HD2 HIS 61 HD2 HIS 61 0.156 -7.216 -2.569 470 HE1 HIS 61 HE1 HIS 61 -0.662 -11.183 -3.751 471 H GLU 62 HN GLU 62 -4.848 -5.813 -4.727 472 HA GLU 62 HA GLU 62 -4.911 -4.336 -7.330 473 1HB GLU 62 HB2 GLU 62 -7.078 -5.369 -5.584 474 2HB GLU 62 HB1 GLU 62 -7.353 -3.828 -6.379 475 1HG GLU 62 HG2 GLU 62 -8.170 -5.481 -7.899 476 2HG GLU 62 HG1 GLU 62 -6.603 -4.987 -8.542 477 H LEU 63 HN LEU 63 -5.058 -2.139 -7.249 478 HA LEU 63 HA LEU 63 -4.382 -0.834 -4.680 479 1HB LEU 63 HB2 LEU 63 -3.105 0.087 -6.452 480 2HB LEU 63 HB1 LEU 63 -4.455 0.023 -7.579 481 HG LEU 63 HG LEU 63 -5.549 1.758 -5.907 482 1HD1 LEU 63 HD11 LEU 63 -3.204 3.156 -5.373 483 2HD1 LEU 63 HD12 LEU 63 -2.806 1.493 -4.943 484 3HD1 LEU 63 HD13 LEU 63 -4.186 2.293 -4.189 485 1HD2 LEU 63 HD21 LEU 63 -5.126 3.258 -7.556 486 2HD2 LEU 63 HD22 LEU 63 -4.281 1.924 -8.342 487 3HD2 LEU 63 HD23 LEU 63 -3.379 3.092 -7.377 488 H VAL 64 HN VAL 64 -6.299 -0.752 -3.444 489 HA VAL 64 HA VAL 64 -8.839 -0.463 -4.709 490 HB VAL 64 HB VAL 64 -7.880 -0.307 -1.852 491 1HG1 VAL 64 HG11 VAL 64 -9.898 0.947 -1.903 492 2HG1 VAL 64 HG12 VAL 64 -10.363 -0.682 -1.408 493 3HG1 VAL 64 HG13 VAL 64 -10.627 -0.154 -3.069 494 1HG2 VAL 64 HG21 VAL 64 -9.712 -2.422 -2.711 495 2HG2 VAL 64 HG22 VAL 64 -8.180 -2.546 -1.849 496 3HG2 VAL 64 HG23 VAL 64 -8.194 -2.428 -3.608 497 H ALA 65 HN ALA 65 -6.873 1.890 -2.745 498 HA ALA 65 HA ALA 65 -8.155 4.017 -4.396 499 1HB ALA 65 HB1 ALA 65 -8.904 3.444 -1.662 500 2HB ALA 65 HB2 ALA 65 -9.595 4.621 -2.778 501 3HB ALA 65 HB3 ALA 65 -8.209 5.061 -1.781 502 H LYS 66 HN LYS 66 -6.582 5.606 -4.892 503 HA LYS 66 HA LYS 66 -4.063 5.390 -3.373 504 1HB LYS 66 HB2 LYS 66 -4.394 7.173 -5.726 505 2HB LYS 66 HB1 LYS 66 -2.991 6.225 -5.230 506 1HG LYS 66 HG2 LYS 66 -3.708 4.906 -6.912 507 2HG LYS 66 HG1 LYS 66 -4.723 4.235 -5.663 508 1HD LYS 66 HD2 LYS 66 -6.446 4.711 -7.063 509 2HD LYS 66 HD1 LYS 66 -6.207 6.381 -6.547 510 1HE LYS 66 HE2 LYS 66 -4.284 5.751 -8.586 511 2HE LYS 66 HE1 LYS 66 -5.896 5.320 -9.161 512 1HZ LYS 66 HZ1 LYS 66 -5.970 7.793 -7.793 513 2HZ LYS 66 HZ2 LYS 66 -6.390 7.450 -9.403 514 3HZ LYS 66 HZ3 LYS 66 -4.787 7.850 -9.007 515 H GLU 67 HN GLU 67 -2.928 7.365 -2.867 516 HA GLU 67 HA GLU 67 -4.641 9.735 -2.415 517 1HB GLU 67 HB2 GLU 67 -3.298 8.058 -0.409 518 2HB GLU 67 HB1 GLU 67 -3.254 9.775 -0.149 519 1HG GLU 67 HG2 GLU 67 -5.809 8.288 -0.756 520 2HG GLU 67 HG1 GLU 67 -5.239 8.557 0.891 521 H THR 68 HN THR 68 -3.578 11.280 -3.549 522 HA THR 68 HA THR 68 -0.650 11.622 -3.072 523 HB THR 68 HB THR 68 -0.134 11.751 -5.363 524 HG1 THR 68 HG1 THR 68 -1.517 12.446 -6.806 525 1HG2 THR 68 HG21 THR 68 -2.316 9.670 -5.061 526 2HG2 THR 68 HG22 THR 68 -0.589 9.437 -4.794 527 3HG2 THR 68 HG23 THR 68 -1.197 9.740 -6.422 528 H ASP 69 HN ASP 69 -3.108 12.919 -2.088 529 HA ASP 69 HA ASP 69 -3.311 15.477 -3.486 530 1HB ASP 69 HB2 ASP 69 -4.310 14.712 -0.740 531 2HB ASP 69 HB1 ASP 69 -4.844 16.097 -1.693 532 H GLY 70 HN GLY 70 -0.891 14.294 -1.772 533 1HA GLY 70 HA2 GLY 70 0.889 16.097 -1.447 534 2HA GLY 70 HA1 GLY 70 -0.268 16.776 -0.334 535 H LEU 71 HN LEU 71 2.378 15.170 -0.364 536 HA LEU 71 HA LEU 71 2.412 12.842 0.990 537 1HB LEU 71 HB2 LEU 71 4.048 15.267 1.757 538 2HB LEU 71 HB1 LEU 71 4.401 13.622 2.244 539 HG LEU 71 HG LEU 71 3.995 14.089 -0.635 540 1HD1 LEU 71 HD11 LEU 71 6.398 15.027 0.937 541 2HD1 LEU 71 HD12 LEU 71 5.428 15.960 -0.205 542 3HD1 LEU 71 HD13 LEU 71 6.478 14.668 -0.788 543 1HD2 LEU 71 HD21 LEU 71 4.450 11.855 0.030 544 2HD2 LEU 71 HD22 LEU 71 5.727 12.369 1.133 545 3HD2 LEU 71 HD23 LEU 71 5.979 12.459 -0.609 546 HA PRO 72 HA PRO 72 3.293 11.807 2.432 547 1HB PRO 72 HB2 PRO 72 2.309 9.765 3.948 548 2HB PRO 72 HB1 PRO 72 3.516 10.912 4.563 549 1HG PRO 72 HG2 PRO 72 0.598 10.763 5.127 550 2HG PRO 72 HG1 PRO 72 1.902 11.340 6.182 551 1HD PRO 72 HD2 PRO 72 0.123 12.981 4.727 552 2HD PRO 72 HD1 PRO 72 1.673 13.511 5.421 553 H TYR 73 HN TYR 73 2.770 10.202 0.918 554 HA TYR 73 HA TYR 73 0.175 10.257 -0.304 555 1HB TYR 73 HB2 TYR 73 2.111 8.051 -0.718 556 2HB TYR 73 HB1 TYR 73 1.012 8.773 -1.884 557 HD1 TYR 73 HD1 TYR 73 4.249 8.712 -0.523 558 HD2 TYR 73 HD2 TYR 73 1.478 11.227 -2.577 559 HE1 TYR 73 HE1 TYR 73 6.141 10.082 -1.332 560 HE2 TYR 73 HE2 TYR 73 3.334 12.657 -3.365 561 HH TYR 73 HH TYR 73 6.492 11.711 -3.381 562 H ARG 74 HN ARG 74 -1.220 8.289 -0.581 563 HA ARG 74 HA ARG 74 -0.702 6.148 1.332 564 1HB ARG 74 HB2 ARG 74 -3.048 8.007 1.488 565 2HB ARG 74 HB1 ARG 74 -3.218 6.312 1.964 566 1HG ARG 74 HG2 ARG 74 -1.835 6.505 3.741 567 2HG ARG 74 HG1 ARG 74 -0.860 7.745 2.992 568 1HD ARG 74 HD2 ARG 74 -2.023 9.359 4.054 569 2HD ARG 74 HD1 ARG 74 -3.527 8.748 3.368 570 HE ARG 74 HE ARG 74 -2.689 7.099 5.576 571 1HH1 ARG 74 HH21 ARG 74 -2.406 9.805 6.781 572 2HH1 ARG 74 HH22 ARG 74 -4.007 10.128 7.359 573 1HH2 ARG 74 HH11 ARG 74 -5.486 7.648 5.438 574 2HH2 ARG 74 HH12 ARG 74 -5.751 8.907 6.598 575 H TYR 75 HN TYR 75 -1.877 4.266 0.777 576 HA TYR 75 HA TYR 75 -3.402 4.358 -1.710 577 1HB TYR 75 HB2 TYR 75 -1.199 2.394 -1.703 578 2HB TYR 75 HB1 TYR 75 -1.984 3.203 -3.060 579 HD1 TYR 75 HD1 TYR 75 -1.503 5.766 -3.323 580 HD2 TYR 75 HD2 TYR 75 0.767 3.126 -0.891 581 HE1 TYR 75 HE1 TYR 75 0.410 7.340 -3.444 582 HE2 TYR 75 HE2 TYR 75 2.711 4.683 -0.976 583 HH TYR 75 HH TYR 75 3.495 6.583 -1.810 584 H LEU 76 HN LEU 76 -5.085 2.947 -1.356 585 HA LEU 76 HA LEU 76 -4.714 0.982 0.709 586 1HB LEU 76 HB2 LEU 76 -6.895 2.098 0.603 587 2HB LEU 76 HB1 LEU 76 -7.126 1.508 -1.025 588 HG LEU 76 HG LEU 76 -6.739 -0.823 -0.067 589 1HD1 LEU 76 HD11 LEU 76 -6.704 -1.164 2.201 590 2HD1 LEU 76 HD12 LEU 76 -7.662 0.278 2.538 591 3HD1 LEU 76 HD13 LEU 76 -5.947 0.427 2.154 592 1HD2 LEU 76 HD21 LEU 76 -9.185 -0.061 1.201 593 2HD2 LEU 76 HD22 LEU 76 -8.930 -0.939 -0.307 594 3HD2 LEU 76 HD23 LEU 76 -8.982 0.825 -0.308 595 H ILE 77 HN ILE 77 -4.869 -1.358 0.121 596 HA ILE 77 HA ILE 77 -4.984 -1.861 -2.773 597 HB ILE 77 HB ILE 77 -2.792 -2.954 -1.009 598 1HG1 ILE 77 HG12 ILE 77 -2.944 -0.509 -2.765 599 2HG1 ILE 77 HG11 ILE 77 -2.364 -0.631 -1.110 600 1HG2 ILE 77 HG21 ILE 77 -3.643 -4.078 -3.239 601 2HG2 ILE 77 HG22 ILE 77 -1.912 -3.903 -2.963 602 3HG2 ILE 77 HG23 ILE 77 -2.756 -2.764 -4.011 603 1HD1 ILE 77 HD11 ILE 77 -0.569 -0.392 -2.917 604 2HD1 ILE 77 HD12 ILE 77 -0.976 -2.036 -3.401 605 3HD1 ILE 77 HD13 ILE 77 -0.358 -1.722 -1.780 606 H ARG 78 HN ARG 78 -6.701 -3.247 -2.871 607 HA ARG 78 HA ARG 78 -7.374 -4.990 -0.656 608 1HB ARG 78 HB2 ARG 78 -9.184 -4.341 -2.048 609 2HB ARG 78 HB1 ARG 78 -8.314 -4.778 -3.518 610 1HG ARG 78 HG2 ARG 78 -8.849 -6.989 -3.334 611 2HG ARG 78 HG1 ARG 78 -8.706 -6.981 -1.576 612 1HD ARG 78 HD2 ARG 78 -11.027 -7.311 -2.030 613 2HD ARG 78 HD1 ARG 78 -10.872 -5.622 -1.546 614 HE ARG 78 HE ARG 78 -10.664 -5.992 -4.430 615 1HH1 ARG 78 HH21 ARG 78 -11.861 -3.554 -3.359 616 2HH1 ARG 78 HH22 ARG 78 -13.562 -3.815 -3.557 617 1HH2 ARG 78 HH11 ARG 78 -13.253 -7.242 -3.988 618 2HH2 ARG 78 HH12 ARG 78 -14.350 -5.903 -3.914 619 H LYS 79 HN LYS 79 -6.039 -6.658 -0.123 620 HA LYS 79 HA LYS 79 -4.127 -7.923 -1.794 621 1HB LYS 79 HB2 LYS 79 -4.058 -8.246 0.605 622 2HB LYS 79 HB1 LYS 79 -5.648 -9.007 0.596 623 1HG LYS 79 HG2 LYS 79 -3.949 -10.745 0.699 624 2HG LYS 79 HG1 LYS 79 -4.720 -10.799 -0.887 625 1HD LYS 79 HD2 LYS 79 -2.183 -10.938 -0.923 626 2HD LYS 79 HD1 LYS 79 -2.875 -9.653 -1.914 627 1HE LYS 79 HE2 LYS 79 -2.296 -8.920 0.898 628 2HE LYS 79 HE1 LYS 79 -0.885 -9.240 -0.110 629 1HZ LYS 79 HZ1 LYS 79 -2.262 -7.745 -1.773 630 2HZ LYS 79 HZ2 LYS 79 -1.212 -7.073 -0.618 631 3HZ LYS 79 HZ3 LYS 79 -2.884 -7.124 -0.323 632 H GLY 80 HN GLY 80 -4.342 -9.442 -3.379 633 1HA GLY 80 HA2 GLY 80 -6.782 -11.099 -3.509 634 2HA GLY 80 HA1 GLY 80 -6.507 -10.008 -4.869 635 H GLY 81 HN GLY 81 -6.466 -12.305 -5.902 636 1HA GLY 81 HA2 GLY 81 -5.139 -13.816 -7.119 637 2HA GLY 81 HA1 GLY 81 -3.727 -12.892 -6.600 Start of MODEL 16 1 1H MET 1 HT1 MET 1 -18.933 11.236 -2.486 2 2H MET 1 HT2 MET 1 -19.626 9.689 -2.599 3 3H MET 1 HT3 MET 1 -17.952 9.858 -2.369 4 HA MET 1 HA MET 1 -18.515 11.036 -0.213 5 1HB MET 1 HB2 MET 1 -21.146 9.654 -0.827 6 2HB MET 1 HB1 MET 1 -20.722 10.391 0.718 7 1HG MET 1 HG2 MET 1 -20.514 12.580 -0.336 8 2HG MET 1 HG1 MET 1 -20.802 11.874 -1.926 9 1HE MET 1 HE1 MET 1 -23.740 13.980 -1.545 10 2HE MET 1 HE2 MET 1 -23.589 12.720 -2.766 11 3HE MET 1 HE3 MET 1 -22.160 13.609 -2.247 12 H THR 2 HN THR 2 -18.689 8.034 -1.890 13 HA THR 2 HA THR 2 -18.625 6.283 0.410 14 HB THR 2 HB THR 2 -19.273 5.351 -1.718 15 HG1 THR 2 HG1 THR 2 -17.294 3.872 -1.978 16 1HG2 THR 2 HG21 THR 2 -17.406 5.222 -3.521 17 2HG2 THR 2 HG22 THR 2 -16.671 6.556 -2.633 18 3HG2 THR 2 HG23 THR 2 -18.279 6.741 -3.331 19 H ASP 3 HN ASP 3 -16.859 5.557 1.576 20 HA ASP 3 HA ASP 3 -14.253 6.857 0.932 21 1HB ASP 3 HB2 ASP 3 -15.669 6.178 3.418 22 2HB ASP 3 HB1 ASP 3 -13.965 5.725 3.429 23 H LEU 4 HN LEU 4 -12.902 5.530 -0.180 24 HA LEU 4 HA LEU 4 -13.197 2.617 -0.035 25 1HB LEU 4 HB2 LEU 4 -11.007 4.207 -1.399 26 2HB LEU 4 HB1 LEU 4 -11.493 2.546 -1.740 27 HG LEU 4 HG LEU 4 -13.112 5.059 -2.223 28 1HD1 LEU 4 HD11 LEU 4 -11.236 3.890 -3.812 29 2HD1 LEU 4 HD12 LEU 4 -12.633 4.766 -4.438 30 3HD1 LEU 4 HD13 LEU 4 -12.677 3.008 -4.316 31 1HD2 LEU 4 HD21 LEU 4 -14.640 3.388 -1.388 32 2HD2 LEU 4 HD22 LEU 4 -13.887 2.132 -2.371 33 3HD2 LEU 4 HD23 LEU 4 -14.813 3.420 -3.143 34 H PHE 5 HN PHE 5 -11.225 5.078 1.432 35 HA PHE 5 HA PHE 5 -9.205 3.157 2.366 36 1HB PHE 5 HB2 PHE 5 -9.596 6.111 2.516 37 2HB PHE 5 HB1 PHE 5 -8.626 5.354 3.779 38 HD1 PHE 5 HD1 PHE 5 -6.669 6.650 2.861 39 HD2 PHE 5 HD2 PHE 5 -8.711 3.660 0.567 40 HE1 PHE 5 HE1 PHE 5 -4.757 6.490 1.302 41 HE2 PHE 5 HE2 PHE 5 -6.764 3.527 -0.960 42 HZ PHE 5 HZ PHE 5 -4.792 4.993 -0.618 43 H SER 6 HN SER 6 -12.231 3.249 3.177 44 HA SER 6 HA SER 6 -12.597 3.911 5.849 45 1HB SER 6 HB2 SER 6 -14.468 3.001 4.731 46 2HB SER 6 HB1 SER 6 -13.585 1.562 4.234 47 HG SER 6 HG SER 6 -13.945 0.692 6.129 48 H SER 7 HN SER 7 -12.727 2.152 7.695 49 HA SER 7 HA SER 7 -10.169 1.465 8.526 50 1HB SER 7 HB2 SER 7 -12.815 0.870 9.358 51 2HB SER 7 HB1 SER 7 -11.861 -0.602 9.436 52 HG SER 7 HG SER 7 -11.803 1.551 11.036 53 HA PRO 8 HA PRO 8 -9.457 -1.682 5.368 54 1HB PRO 8 HB2 PRO 8 -6.722 -1.574 5.588 55 2HB PRO 8 HB1 PRO 8 -7.671 -0.456 4.599 56 1HG PRO 8 HG2 PRO 8 -6.366 0.023 7.241 57 2HG PRO 8 HG1 PRO 8 -6.727 1.173 5.942 58 1HD PRO 8 HD2 PRO 8 -8.218 0.862 8.315 59 2HD PRO 8 HD1 PRO 8 -8.759 1.714 6.856 60 H ASP 9 HN ASP 9 -8.250 -3.813 5.496 61 HA ASP 9 HA ASP 9 -8.636 -5.006 8.135 62 1HB ASP 9 HB2 ASP 9 -7.556 -6.125 5.529 63 2HB ASP 9 HB1 ASP 9 -7.806 -7.086 6.988 64 H HIS 10 HN HIS 10 -5.986 -3.681 6.320 65 HA HIS 10 HA HIS 10 -4.186 -4.228 8.613 66 1HB HIS 10 HB2 HIS 10 -3.799 -5.150 5.775 67 2HB HIS 10 HB1 HIS 10 -2.406 -4.779 6.785 68 HD1 HIS 10 HD1 HIS 10 -1.593 -6.697 8.163 69 HD2 HIS 10 HD2 HIS 10 -5.641 -7.069 7.236 70 HE1 HIS 10 HE1 HIS 10 -2.347 -8.911 9.135 71 H THR 11 HN THR 11 -2.019 -2.954 8.168 72 HA THR 11 HA THR 11 -2.457 -0.584 6.444 73 HB THR 11 HB THR 11 -1.734 -0.384 9.368 74 HG1 THR 11 HG1 THR 11 -4.129 0.282 8.007 75 1HG2 THR 11 HG21 THR 11 -0.759 1.372 7.931 76 2HG2 THR 11 HG22 THR 11 -1.997 2.039 8.996 77 3HG2 THR 11 HG23 THR 11 -2.364 1.738 7.298 78 H LEU 12 HN LEU 12 -0.414 0.666 6.200 79 HA LEU 12 HA LEU 12 2.048 -0.765 7.047 80 1HB LEU 12 HB2 LEU 12 1.795 -1.718 4.878 81 2HB LEU 12 HB1 LEU 12 1.263 -0.188 4.193 82 HG LEU 12 HG LEU 12 3.471 0.760 4.270 83 1HD1 LEU 12 HD11 LEU 12 3.933 -1.423 6.297 84 2HD1 LEU 12 HD12 LEU 12 4.281 0.300 6.417 85 3HD1 LEU 12 HD13 LEU 12 5.303 -0.737 5.425 86 1HD2 LEU 12 HD21 LEU 12 3.458 -2.156 3.506 87 2HD2 LEU 12 HD22 LEU 12 4.938 -1.205 3.394 88 3HD2 LEU 12 HD23 LEU 12 3.521 -0.734 2.470 89 H ASP 13 HN ASP 13 3.003 0.899 8.171 90 HA ASP 13 HA ASP 13 2.731 3.676 7.310 91 1HB ASP 13 HB2 ASP 13 3.176 2.858 9.714 92 2HB ASP 13 HB1 ASP 13 4.839 2.583 9.195 93 H ALA 14 HN ALA 14 4.153 4.758 5.897 94 HA ALA 14 HA ALA 14 6.700 3.373 5.280 95 1HB ALA 14 HB1 ALA 14 4.713 2.878 3.621 96 2HB ALA 14 HB2 ALA 14 6.354 3.137 3.033 97 3HB ALA 14 HB3 ALA 14 5.175 4.448 2.964 98 H LEU 15 HN LEU 15 5.483 5.759 6.596 99 HA LEU 15 HA LEU 15 6.596 8.085 5.289 100 1HB LEU 15 HB2 LEU 15 5.820 7.762 8.186 101 2HB LEU 15 HB1 LEU 15 5.874 9.215 7.212 102 HG LEU 15 HG LEU 15 4.077 6.974 6.405 103 1HD1 LEU 15 HD11 LEU 15 2.524 7.425 8.000 104 2HD1 LEU 15 HD12 LEU 15 2.822 9.162 7.919 105 3HD1 LEU 15 HD13 LEU 15 3.865 8.133 8.900 106 1HD2 LEU 15 HD21 LEU 15 4.527 9.840 5.788 107 2HD2 LEU 15 HD22 LEU 15 2.848 9.304 5.809 108 3HD2 LEU 15 HD23 LEU 15 4.008 8.530 4.728 109 H GLY 16 HN GLY 16 8.744 8.024 5.117 110 1HA GLY 16 HA2 GLY 16 10.948 8.340 6.092 111 2HA GLY 16 HA1 GLY 16 10.368 7.538 7.560 112 H LEU 17 HN LEU 17 9.025 5.741 5.250 113 HA LEU 17 HA LEU 17 11.136 3.691 5.317 114 1HB LEU 17 HB2 LEU 17 8.281 3.681 4.288 115 2HB LEU 17 HB1 LEU 17 9.372 2.306 4.169 116 HG LEU 17 HG LEU 17 7.999 3.444 6.552 117 1HD1 LEU 17 HD11 LEU 17 7.630 1.120 6.995 118 2HD1 LEU 17 HD12 LEU 17 8.937 0.639 5.913 119 3HD1 LEU 17 HD13 LEU 17 7.443 1.303 5.251 120 1HD2 LEU 17 HD21 LEU 17 9.728 2.117 7.928 121 2HD2 LEU 17 HD22 LEU 17 10.189 3.724 7.365 122 3HD2 LEU 17 HD23 LEU 17 10.776 2.290 6.521 123 H ARG 18 HN ARG 18 12.026 2.909 3.353 124 HA ARG 18 HA ARG 18 11.134 4.359 0.936 125 1HB ARG 18 HB2 ARG 18 13.633 4.738 0.392 126 2HB ARG 18 HB1 ARG 18 12.817 5.802 1.540 127 1HG ARG 18 HG2 ARG 18 14.862 5.243 2.614 128 2HG ARG 18 HG1 ARG 18 13.661 4.195 3.369 129 1HD ARG 18 HD2 ARG 18 14.696 2.342 2.614 130 2HD ARG 18 HD1 ARG 18 14.748 2.974 0.969 131 HE ARG 18 HE ARG 18 16.924 3.897 1.431 132 1HH1 ARG 18 HH21 ARG 18 16.167 1.302 3.338 133 2HH1 ARG 18 HH22 ARG 18 17.295 1.649 4.606 134 1HH2 ARG 18 HH11 ARG 18 18.080 4.806 3.403 135 2HH2 ARG 18 HH12 ARG 18 18.377 3.634 4.643 136 H CYS 19 HN CYS 19 11.594 3.259 -0.973 137 HA CYS 19 HA CYS 19 11.468 0.474 -0.932 138 1HB CYS 19 HB2 CYS 19 11.059 1.584 -2.986 139 2HB CYS 19 HB1 CYS 19 12.661 2.317 -3.006 140 HG CYS 19 HG CYS 19 13.631 0.199 -3.910 141 HA PRO 20 HA PRO 20 11.905 -1.287 -1.641 142 1HB PRO 20 HB2 PRO 20 12.792 -3.707 -0.736 143 2HB PRO 20 HB1 PRO 20 13.321 -3.006 -2.275 144 1HG PRO 20 HG2 PRO 20 14.823 -3.263 0.279 145 2HG PRO 20 HG1 PRO 20 15.442 -3.128 -1.371 146 1HD PRO 20 HD2 PRO 20 15.297 -1.052 0.584 147 2HD PRO 20 HD1 PRO 20 15.755 -0.880 -1.125 148 H GLU 21 HN GLU 21 12.971 -0.408 1.377 149 HA GLU 21 HA GLU 21 11.929 -2.189 3.227 150 1HB GLU 21 HB2 GLU 21 12.227 0.755 3.307 151 2HB GLU 21 HB1 GLU 21 11.519 -0.087 4.675 152 1HG GLU 21 HG2 GLU 21 14.175 -0.867 3.447 153 2HG GLU 21 HG1 GLU 21 14.036 0.251 4.806 154 HA PRO 22 HA PRO 22 7.666 -0.107 3.243 155 1HB PRO 22 HB2 PRO 22 7.018 1.239 0.932 156 2HB PRO 22 HB1 PRO 22 7.672 2.015 2.369 157 1HG PRO 22 HG2 PRO 22 9.035 1.373 -0.200 158 2HG PRO 22 HG1 PRO 22 9.374 2.676 0.955 159 1HD PRO 22 HD2 PRO 22 10.850 0.320 0.729 160 2HD PRO 22 HD1 PRO 22 10.866 1.378 2.145 161 H VAL 23 HN VAL 23 8.435 -0.546 -0.190 162 HA VAL 23 HA VAL 23 6.333 -2.238 -0.937 163 HB VAL 23 HB VAL 23 9.262 -2.292 -1.691 164 1HG1 VAL 23 HG11 VAL 23 6.958 -3.989 -2.630 165 2HG1 VAL 23 HG12 VAL 23 8.609 -4.476 -2.250 166 3HG1 VAL 23 HG13 VAL 23 8.271 -3.596 -3.739 167 1HG2 VAL 23 HG21 VAL 23 8.651 -0.958 -3.513 168 2HG2 VAL 23 HG22 VAL 23 7.554 -0.364 -2.265 169 3HG2 VAL 23 HG23 VAL 23 6.976 -1.507 -3.476 170 H MET 24 HN MET 24 9.113 -2.848 1.113 171 HA MET 24 HA MET 24 8.901 -5.751 1.047 172 1HB MET 24 HB2 MET 24 10.390 -3.736 2.685 173 2HB MET 24 HB1 MET 24 10.246 -5.381 3.304 174 1HG MET 24 HG2 MET 24 10.896 -5.628 0.564 175 2HG MET 24 HG1 MET 24 11.966 -4.385 1.210 176 1HE MET 24 HE1 MET 24 12.132 -8.827 1.714 177 2HE MET 24 HE2 MET 24 11.997 -7.806 0.285 178 3HE MET 24 HE3 MET 24 10.633 -7.944 1.391 179 H MET 25 HN MET 25 7.778 -3.224 3.294 180 HA MET 25 HA MET 25 6.662 -4.999 5.224 181 1HB MET 25 HB2 MET 25 6.086 -2.139 4.460 182 2HB MET 25 HB1 MET 25 5.139 -2.956 5.705 183 1HG MET 25 HG2 MET 25 7.787 -3.572 6.341 184 2HG MET 25 HG1 MET 25 7.843 -1.878 5.852 185 1HE MET 25 HE1 MET 25 8.657 -1.203 7.658 186 2HE MET 25 HE2 MET 25 8.319 -1.796 9.282 187 3HE MET 25 HE3 MET 25 7.595 -0.287 8.733 188 H VAL 26 HN VAL 26 5.269 -3.535 2.278 189 HA VAL 26 HA VAL 26 2.625 -4.596 2.671 190 HB VAL 26 HB VAL 26 4.130 -3.925 0.127 191 1HG1 VAL 26 HG11 VAL 26 2.379 -4.688 -1.090 192 2HG1 VAL 26 HG12 VAL 26 1.224 -3.868 -0.042 193 3HG1 VAL 26 HG13 VAL 26 1.801 -5.478 0.376 194 1HG2 VAL 26 HG21 VAL 26 2.375 -2.446 2.030 195 2HG2 VAL 26 HG22 VAL 26 2.183 -2.096 0.311 196 3HG2 VAL 26 HG23 VAL 26 3.750 -1.871 1.084 197 H ARG 27 HN ARG 27 5.610 -5.972 1.449 198 HA ARG 27 HA ARG 27 4.462 -8.285 0.185 199 1HB ARG 27 HB2 ARG 27 7.100 -7.324 0.770 200 2HB ARG 27 HB1 ARG 27 6.966 -8.999 1.321 201 1HG ARG 27 HG2 ARG 27 5.673 -8.747 -1.230 202 2HG ARG 27 HG1 ARG 27 7.306 -8.090 -1.344 203 1HD ARG 27 HD2 ARG 27 7.940 -10.253 0.012 204 2HD ARG 27 HD1 ARG 27 6.416 -10.861 -0.634 205 HE ARG 27 HE ARG 27 8.254 -9.688 -2.616 206 1HH1 ARG 27 HH21 ARG 27 9.224 -12.252 -1.102 207 2HH1 ARG 27 HH22 ARG 27 8.775 -13.460 -2.260 208 1HH2 ARG 27 HH11 ARG 27 6.721 -11.338 -4.076 209 2HH2 ARG 27 HH12 ARG 27 7.361 -12.942 -3.944 210 H LYS 28 HN LYS 28 6.008 -7.948 3.346 211 HA LYS 28 HA LYS 28 5.372 -10.534 4.333 212 1HB LYS 28 HB2 LYS 28 5.666 -7.934 5.878 213 2HB LYS 28 HB1 LYS 28 5.698 -9.548 6.589 214 1HG LYS 28 HG2 LYS 28 7.776 -10.049 5.708 215 2HG LYS 28 HG1 LYS 28 7.561 -8.979 4.322 216 1HD LYS 28 HD2 LYS 28 9.237 -8.164 6.042 217 2HD LYS 28 HD1 LYS 28 7.945 -7.024 5.667 218 1HE LYS 28 HE2 LYS 28 6.972 -7.234 7.731 219 2HE LYS 28 HE1 LYS 28 7.408 -8.937 7.877 220 1HZ LYS 28 HZ1 LYS 28 9.805 -7.673 7.864 221 2HZ LYS 28 HZ2 LYS 28 8.988 -8.222 9.250 222 3HZ LYS 28 HZ3 LYS 28 8.832 -6.604 8.752 223 H THR 29 HN THR 29 3.634 -7.487 4.463 224 HA THR 29 HA THR 29 1.365 -8.360 5.980 225 HB THR 29 HB THR 29 2.119 -6.146 4.157 226 HG1 THR 29 HG1 THR 29 1.254 -4.971 5.990 227 1HG2 THR 29 HG21 THR 29 -0.076 -5.188 4.005 228 2HG2 THR 29 HG22 THR 29 -0.764 -6.482 4.986 229 3HG2 THR 29 HG23 THR 29 -0.162 -6.826 3.365 230 H VAL 30 HN VAL 30 2.317 -8.445 2.644 231 HA VAL 30 HA VAL 30 -0.194 -9.364 1.540 232 HB VAL 30 HB VAL 30 2.684 -9.314 0.625 233 1HG1 VAL 30 HG11 VAL 30 0.335 -10.451 -0.882 234 2HG1 VAL 30 HG12 VAL 30 1.700 -11.371 -0.247 235 3HG1 VAL 30 HG13 VAL 30 1.951 -10.195 -1.538 236 1HG2 VAL 30 HG21 VAL 30 0.893 -7.333 0.594 237 2HG2 VAL 30 HG22 VAL 30 0.401 -8.136 -0.895 238 3HG2 VAL 30 HG23 VAL 30 2.052 -7.544 -0.719 239 H ARG 31 HN ARG 31 2.559 -10.737 3.112 240 HA ARG 31 HA ARG 31 2.037 -13.515 2.408 241 1HB ARG 31 HB2 ARG 31 3.683 -12.305 4.655 242 2HB ARG 31 HB1 ARG 31 3.710 -14.001 4.176 243 1HG ARG 31 HG2 ARG 31 4.451 -13.257 1.876 244 2HG ARG 31 HG1 ARG 31 4.604 -11.628 2.520 245 1HD ARG 31 HD2 ARG 31 6.780 -12.578 2.681 246 2HD ARG 31 HD1 ARG 31 6.120 -12.610 4.316 247 HE ARG 31 HE ARG 31 5.712 -15.023 4.026 248 1HH1 ARG 31 HH11 ARG 31 8.333 -13.588 2.497 249 2HH1 ARG 31 HH12 ARG 31 8.710 -14.942 1.485 250 1HH2 ARG 31 HH21 ARG 31 5.850 -16.711 2.330 251 2HH2 ARG 31 HH22 ARG 31 7.305 -16.710 1.390 252 H ASN 32 HN ASN 32 1.122 -11.238 4.928 253 HA ASN 32 HA ASN 32 -0.280 -13.450 6.369 254 1HB ASN 32 HB2 ASN 32 -0.443 -11.925 8.258 255 2HB ASN 32 HB1 ASN 32 1.228 -11.972 7.700 256 1HD2 ASN 32 HD21 ASN 32 1.636 -9.799 8.554 257 2HD2 ASN 32 HD22 ASN 32 0.999 -8.423 7.792 258 H MET 33 HN MET 33 -0.937 -11.358 3.946 259 HA MET 33 HA MET 33 -3.591 -10.510 4.908 260 1HB MET 33 HB2 MET 33 -1.902 -9.931 2.519 261 2HB MET 33 HB1 MET 33 -3.650 -9.807 2.321 262 1HG MET 33 HG2 MET 33 -3.426 -8.477 4.631 263 2HG MET 33 HG1 MET 33 -1.813 -8.164 4.003 264 1HE MET 33 HE1 MET 33 -5.202 -8.853 2.668 265 2HE MET 33 HE2 MET 33 -5.670 -7.486 1.665 266 3HE MET 33 HE3 MET 33 -5.755 -7.350 3.418 267 H GLN 34 HN GLN 34 -5.453 -10.924 3.354 268 HA GLN 34 HA GLN 34 -5.318 -13.680 2.210 269 1HB GLN 34 HB2 GLN 34 -7.582 -12.482 3.845 270 2HB GLN 34 HB1 GLN 34 -7.617 -14.060 3.057 271 1HG GLN 34 HG2 GLN 34 -6.299 -15.025 4.641 272 2HG GLN 34 HG1 GLN 34 -5.268 -13.601 4.786 273 1HE2 GLN 34 HE21 GLN 34 -5.364 -13.067 6.992 274 2HE2 GLN 34 HE22 GLN 34 -6.804 -12.856 7.864 275 HA PRO 35 HA PRO 35 -7.057 -11.785 -1.308 276 1HB PRO 35 HB2 PRO 35 -8.557 -13.872 -2.319 277 2HB PRO 35 HB1 PRO 35 -6.796 -13.749 -2.467 278 1HG PRO 35 HG2 PRO 35 -8.414 -15.467 -0.626 279 2HG PRO 35 HG1 PRO 35 -6.814 -15.771 -1.325 280 1HD PRO 35 HD2 PRO 35 -7.267 -14.924 1.306 281 2HD PRO 35 HD1 PRO 35 -5.726 -14.754 0.436 282 H GLY 36 HN GLY 36 -8.660 -10.333 -1.319 283 1HA GLY 36 HA2 GLY 36 -10.996 -9.689 -1.381 284 2HA GLY 36 HA1 GLY 36 -11.367 -11.093 -0.368 285 H GLU 37 HN GLU 37 -8.553 -9.141 0.297 286 HA GLU 37 HA GLU 37 -9.963 -8.044 2.705 287 1HB GLU 37 HB2 GLU 37 -7.289 -9.342 2.369 288 2HB GLU 37 HB1 GLU 37 -7.465 -8.082 3.580 289 1HG GLU 37 HG2 GLU 37 -9.347 -10.439 3.384 290 2HG GLU 37 HG1 GLU 37 -7.913 -10.442 4.410 291 H THR 38 HN THR 38 -8.233 -6.210 3.627 292 HA THR 38 HA THR 38 -7.395 -4.565 1.304 293 HB THR 38 HB THR 38 -8.446 -2.589 2.708 294 HG1 THR 38 HG1 THR 38 -9.769 -3.238 4.187 295 1HG2 THR 38 HG21 THR 38 -10.507 -2.868 1.340 296 2HG2 THR 38 HG22 THR 38 -10.010 -4.521 0.975 297 3HG2 THR 38 HG23 THR 38 -9.037 -3.163 0.409 298 H LEU 39 HN LEU 39 -5.794 -3.032 1.752 299 HA LEU 39 HA LEU 39 -4.616 -3.005 4.490 300 1HB LEU 39 HB2 LEU 39 -3.364 -4.751 3.416 301 2HB LEU 39 HB1 LEU 39 -3.224 -3.826 1.924 302 HG LEU 39 HG LEU 39 -2.054 -2.069 3.572 303 1HD1 LEU 39 HD11 LEU 39 -0.556 -3.703 5.035 304 2HD1 LEU 39 HD12 LEU 39 -2.009 -4.701 4.973 305 3HD1 LEU 39 HD13 LEU 39 -2.084 -3.072 5.643 306 1HD2 LEU 39 HD21 LEU 39 0.131 -3.195 2.976 307 2HD2 LEU 39 HD22 LEU 39 -0.960 -2.962 1.610 308 3HD2 LEU 39 HD23 LEU 39 -0.811 -4.552 2.358 309 H LEU 40 HN LEU 40 -4.508 -0.815 4.926 310 HA LEU 40 HA LEU 40 -4.259 1.112 2.713 311 1HB LEU 40 HB2 LEU 40 -5.797 1.772 4.440 312 2HB LEU 40 HB1 LEU 40 -4.622 1.419 5.707 313 HG LEU 40 HG LEU 40 -3.137 3.201 4.697 314 1HD1 LEU 40 HD11 LEU 40 -4.194 4.807 3.168 315 2HD1 LEU 40 HD12 LEU 40 -5.678 3.854 3.172 316 3HD1 LEU 40 HD13 LEU 40 -4.208 3.193 2.457 317 1HD2 LEU 40 HD21 LEU 40 -5.148 3.411 6.525 318 2HD2 LEU 40 HD22 LEU 40 -5.656 4.618 5.344 319 3HD2 LEU 40 HD23 LEU 40 -4.069 4.741 6.103 320 H ILE 41 HN ILE 41 -2.415 2.526 2.531 321 HA ILE 41 HA ILE 41 -0.087 1.808 4.245 322 HB ILE 41 HB ILE 41 0.144 2.013 1.247 323 1HG1 ILE 41 HG12 ILE 41 -0.689 -0.326 2.971 324 2HG1 ILE 41 HG11 ILE 41 -1.379 0.232 1.460 325 1HG2 ILE 41 HG21 ILE 41 2.314 1.945 1.880 326 2HG2 ILE 41 HG22 ILE 41 2.033 0.256 2.281 327 3HG2 ILE 41 HG23 ILE 41 1.901 1.485 3.529 328 1HD1 ILE 41 HD11 ILE 41 0.654 -1.743 1.843 329 2HD1 ILE 41 HD12 ILE 41 1.333 -0.403 0.920 330 3HD1 ILE 41 HD13 ILE 41 -0.111 -1.231 0.340 331 H ILE 42 HN ILE 42 0.963 3.656 4.911 332 HA ILE 42 HA ILE 42 0.450 6.132 3.356 333 HB ILE 42 HB ILE 42 1.764 5.893 6.068 334 1HG1 ILE 42 HG12 ILE 42 -1.135 5.976 5.274 335 2HG1 ILE 42 HG11 ILE 42 -0.355 5.019 6.534 336 1HG2 ILE 42 HG21 ILE 42 1.251 8.258 6.217 337 2HG2 ILE 42 HG22 ILE 42 0.315 8.194 4.722 338 3HG2 ILE 42 HG23 ILE 42 2.062 7.976 4.679 339 1HD1 ILE 42 HD11 ILE 42 -1.615 6.809 7.577 340 2HD1 ILE 42 HD12 ILE 42 -0.814 8.005 6.557 341 3HD1 ILE 42 HD13 ILE 42 0.109 7.126 7.777 342 H ALA 43 HN ALA 43 2.354 7.479 2.955 343 HA ALA 43 HA ALA 43 4.983 6.305 3.351 344 1HB ALA 43 HB1 ALA 43 5.394 5.409 1.303 345 2HB ALA 43 HB2 ALA 43 4.519 6.691 0.467 346 3HB ALA 43 HB3 ALA 43 3.638 5.330 1.162 347 H ASP 44 HN ASP 44 6.337 8.004 3.545 348 HA ASP 44 HA ASP 44 5.470 10.552 2.277 349 1HB ASP 44 HB2 ASP 44 6.877 11.734 3.846 350 2HB ASP 44 HB1 ASP 44 5.857 10.640 4.768 351 H ASP 45 HN ASP 45 7.783 7.994 2.432 352 HA ASP 45 HA ASP 45 9.949 9.251 1.058 353 1HB ASP 45 HB2 ASP 45 10.417 7.175 1.958 354 2HB ASP 45 HB1 ASP 45 8.906 6.499 1.385 355 HA PRO 46 HA PRO 46 8.012 9.883 -2.861 356 1HB PRO 46 HB2 PRO 46 10.298 10.297 -4.329 357 2HB PRO 46 HB1 PRO 46 9.607 11.505 -3.233 358 1HG PRO 46 HG2 PRO 46 12.023 9.800 -2.866 359 2HG PRO 46 HG1 PRO 46 11.640 11.372 -2.144 360 1HD PRO 46 HD2 PRO 46 11.416 8.850 -0.868 361 2HD PRO 46 HD1 PRO 46 10.758 10.383 -0.274 362 H ALA 47 HN ALA 47 10.330 7.406 -2.286 363 HA ALA 47 HA ALA 47 9.952 6.143 -4.928 364 1HB ALA 47 HB1 ALA 47 12.117 6.161 -3.410 365 2HB ALA 47 HB2 ALA 47 11.716 4.732 -4.364 366 3HB ALA 47 HB3 ALA 47 11.337 4.779 -2.643 367 H THR 48 HN THR 48 8.166 6.250 -2.129 368 HA THR 48 HA THR 48 7.364 3.411 -2.154 369 HB THR 48 HB THR 48 5.640 4.329 -0.444 370 HG1 THR 48 HG1 THR 48 7.020 6.395 0.319 371 1HG2 THR 48 HG21 THR 48 8.461 3.749 -0.258 372 2HG2 THR 48 HG22 THR 48 7.175 3.383 0.892 373 3HG2 THR 48 HG23 THR 48 8.005 4.934 0.966 374 H THR 49 HN THR 49 5.979 6.579 -2.994 375 HA THR 49 HA THR 49 3.380 5.712 -3.723 376 HB THR 49 HB THR 49 3.108 7.774 -4.733 377 HG1 THR 49 HG1 THR 49 5.190 8.689 -5.750 378 1HG2 THR 49 HG21 THR 49 4.689 7.854 -2.536 379 2HG2 THR 49 HG22 THR 49 4.113 9.297 -3.371 380 3HG2 THR 49 HG23 THR 49 5.731 8.673 -3.699 381 H ARG 50 HN ARG 50 6.449 5.540 -5.427 382 HA ARG 50 HA ARG 50 5.073 4.434 -7.817 383 1HB ARG 50 HB2 ARG 50 7.899 5.310 -7.254 384 2HB ARG 50 HB1 ARG 50 7.469 4.445 -8.730 385 1HG ARG 50 HG2 ARG 50 5.821 6.179 -9.290 386 2HG ARG 50 HG1 ARG 50 6.198 7.037 -7.795 387 1HD ARG 50 HD2 ARG 50 7.694 8.175 -9.074 388 2HD ARG 50 HD1 ARG 50 8.692 6.733 -8.894 389 HE ARG 50 HE ARG 50 7.436 7.610 -11.341 390 1HH1 ARG 50 HH21 ARG 50 6.124 4.947 -10.708 391 2HH1 ARG 50 HH22 ARG 50 7.190 3.842 -11.509 392 1HH2 ARG 50 HH11 ARG 50 9.758 6.148 -11.846 393 2HH2 ARG 50 HH12 ARG 50 9.247 4.522 -12.154 394 H ASP 51 HN ASP 51 7.392 3.400 -5.354 395 HA ASP 51 HA ASP 51 7.712 0.788 -6.641 396 1HB ASP 51 HB2 ASP 51 8.697 1.775 -3.951 397 2HB ASP 51 HB1 ASP 51 9.234 0.310 -4.781 398 H ILE 52 HN ILE 52 6.278 1.886 -3.545 399 HA ILE 52 HA ILE 52 5.577 -0.646 -2.575 400 HB ILE 52 HB ILE 52 4.525 2.096 -2.160 401 1HG1 ILE 52 HG12 ILE 52 5.563 -0.174 -0.468 402 2HG1 ILE 52 HG11 ILE 52 6.343 1.370 -0.808 403 1HG2 ILE 52 HG21 ILE 52 2.745 1.212 -0.628 404 2HG2 ILE 52 HG22 ILE 52 3.026 -0.397 -1.294 405 3HG2 ILE 52 HG23 ILE 52 2.410 0.890 -2.330 406 1HD1 ILE 52 HD11 ILE 52 4.530 0.718 1.318 407 2HD1 ILE 52 HD12 ILE 52 3.792 1.954 0.298 408 3HD1 ILE 52 HD13 ILE 52 5.374 2.238 1.023 409 HA PRO 53 HA PRO 53 1.495 -0.530 -4.942 410 1HB PRO 53 HB2 PRO 53 1.351 1.223 -7.051 411 2HB PRO 53 HB1 PRO 53 0.728 1.548 -5.424 412 1HG PRO 53 HG2 PRO 53 3.175 2.607 -6.758 413 2HG PRO 53 HG1 PRO 53 2.208 3.331 -5.463 414 1HD PRO 53 HD2 PRO 53 4.676 2.017 -5.126 415 2HD PRO 53 HD1 PRO 53 3.525 2.400 -3.828 416 H GLY 54 HN GLY 54 4.142 0.537 -7.109 417 1HA GLY 54 HA2 GLY 54 3.604 -1.216 -9.234 418 2HA GLY 54 HA1 GLY 54 5.247 -0.737 -8.770 419 H PHE 55 HN PHE 55 4.734 -1.888 -6.006 420 HA PHE 55 HA PHE 55 5.620 -4.602 -6.660 421 1HB PHE 55 HB2 PHE 55 6.696 -3.924 -4.725 422 2HB PHE 55 HB1 PHE 55 5.327 -2.960 -4.175 423 HD1 PHE 55 HD1 PHE 55 5.444 -6.547 -5.239 424 HD2 PHE 55 HD2 PHE 55 4.805 -3.777 -2.029 425 HE1 PHE 55 HE1 PHE 55 4.670 -8.398 -3.805 426 HE2 PHE 55 HE2 PHE 55 4.028 -5.640 -0.599 427 HZ PHE 55 HZ PHE 55 3.949 -7.946 -1.489 428 H CYS 56 HN CYS 56 2.793 -3.227 -4.891 429 HA CYS 56 HA CYS 56 1.433 -5.654 -4.485 430 1HB CYS 56 HB2 CYS 56 0.487 -2.840 -4.969 431 2HB CYS 56 HB1 CYS 56 -0.663 -4.154 -4.710 432 HG CYS 56 HG CYS 56 0.946 -2.834 -2.536 433 H THR 57 HN THR 57 1.569 -3.650 -7.395 434 HA THR 57 HA THR 57 -0.474 -5.081 -8.823 435 HB THR 57 HB THR 57 1.919 -3.667 -10.018 436 HG1 THR 57 HG1 THR 57 0.535 -1.845 -9.973 437 1HG2 THR 57 HG21 THR 57 -0.335 -5.033 -11.103 438 2HG2 THR 57 HG22 THR 57 0.915 -4.139 -11.966 439 3HG2 THR 57 HG23 THR 57 -0.542 -3.311 -11.420 440 H PHE 58 HN PHE 58 2.993 -5.610 -8.429 441 HA PHE 58 HA PHE 58 3.182 -7.628 -10.491 442 1HB PHE 58 HB2 PHE 58 5.042 -6.210 -9.247 443 2HB PHE 58 HB1 PHE 58 5.060 -7.602 -8.164 444 HD1 PHE 58 HD1 PHE 58 6.365 -6.276 -11.172 445 HD2 PHE 58 HD2 PHE 58 5.078 -9.962 -9.378 446 HE1 PHE 58 HE1 PHE 58 7.704 -7.549 -12.826 447 HE2 PHE 58 HE2 PHE 58 6.417 -11.235 -11.032 448 HZ PHE 58 HZ PHE 58 7.730 -10.028 -12.757 449 H MET 59 HN MET 59 2.394 -7.764 -7.035 450 HA MET 59 HA MET 59 2.606 -10.692 -7.060 451 1HB MET 59 HB2 MET 59 2.160 -8.639 -5.005 452 2HB MET 59 HB1 MET 59 1.498 -10.235 -4.684 453 1HG MET 59 HG2 MET 59 4.375 -9.643 -5.433 454 2HG MET 59 HG1 MET 59 3.802 -10.032 -3.811 455 1HE MET 59 HE1 MET 59 3.522 -13.329 -3.297 456 2HE MET 59 HE2 MET 59 4.041 -11.699 -2.877 457 3HE MET 59 HE3 MET 59 5.203 -12.840 -3.548 458 H GLU 60 HN GLU 60 0.344 -8.744 -8.321 459 HA GLU 60 HA GLU 60 -1.782 -9.370 -9.157 460 1HB GLU 60 HB2 GLU 60 -0.845 -11.787 -8.347 461 2HB GLU 60 HB1 GLU 60 -2.214 -11.589 -7.251 462 1HG GLU 60 HG2 GLU 60 -3.746 -11.768 -8.927 463 2HG GLU 60 HG1 GLU 60 -2.758 -10.841 -10.058 464 H HIS 61 HN HIS 61 -1.197 -7.688 -6.738 465 HA HIS 61 HA HIS 61 -3.665 -8.050 -5.149 466 1HB HIS 61 HB2 HIS 61 -1.450 -6.006 -4.812 467 2HB HIS 61 HB1 HIS 61 -2.690 -6.439 -3.641 468 HD1 HIS 61 HD1 HIS 61 -2.229 -9.576 -4.724 469 HD2 HIS 61 HD2 HIS 61 0.427 -7.033 -2.764 470 HE1 HIS 61 HE1 HIS 61 -0.469 -11.051 -3.682 471 H GLU 62 HN GLU 62 -4.766 -5.766 -4.652 472 HA GLU 62 HA GLU 62 -4.888 -4.318 -7.268 473 1HB GLU 62 HB2 GLU 62 -7.004 -5.394 -5.507 474 2HB GLU 62 HB1 GLU 62 -7.327 -3.839 -6.257 475 1HG GLU 62 HG2 GLU 62 -6.189 -5.494 -8.264 476 2HG GLU 62 HG1 GLU 62 -7.401 -6.473 -7.438 477 H LEU 63 HN LEU 63 -5.056 -2.126 -7.201 478 HA LEU 63 HA LEU 63 -4.360 -0.803 -4.645 479 1HB LEU 63 HB2 LEU 63 -3.073 0.112 -6.397 480 2HB LEU 63 HB1 LEU 63 -4.394 -0.003 -7.554 481 HG LEU 63 HG LEU 63 -5.582 1.783 -6.120 482 1HD1 LEU 63 HD11 LEU 63 -3.420 1.331 -4.438 483 2HD1 LEU 63 HD12 LEU 63 -4.512 2.715 -4.357 484 3HD1 LEU 63 HD13 LEU 63 -2.995 2.838 -5.248 485 1HD2 LEU 63 HD21 LEU 63 -3.155 3.075 -7.180 486 2HD2 LEU 63 HD22 LEU 63 -4.842 3.297 -7.643 487 3HD2 LEU 63 HD23 LEU 63 -3.919 1.943 -8.296 488 H VAL 64 HN VAL 64 -6.273 -0.691 -3.406 489 HA VAL 64 HA VAL 64 -8.812 -0.376 -4.678 490 HB VAL 64 HB VAL 64 -7.866 -0.256 -1.814 491 1HG1 VAL 64 HG11 VAL 64 -10.613 -0.120 -3.042 492 2HG1 VAL 64 HG12 VAL 64 -9.896 0.991 -1.875 493 3HG1 VAL 64 HG13 VAL 64 -10.345 -0.643 -1.383 494 1HG2 VAL 64 HG21 VAL 64 -8.106 -2.356 -3.572 495 2HG2 VAL 64 HG22 VAL 64 -9.678 -2.363 -2.771 496 3HG2 VAL 64 HG23 VAL 64 -8.201 -2.496 -1.817 497 H ALA 65 HN ALA 65 -6.817 1.949 -2.707 498 HA ALA 65 HA ALA 65 -8.115 4.088 -4.328 499 1HB ALA 65 HB1 ALA 65 -8.208 5.239 -1.836 500 2HB ALA 65 HB2 ALA 65 -8.654 3.571 -1.482 501 3HB ALA 65 HB3 ALA 65 -9.587 4.503 -2.654 502 H LYS 66 HN LYS 66 -6.546 5.661 -4.861 503 HA LYS 66 HA LYS 66 -4.009 5.462 -3.368 504 1HB LYS 66 HB2 LYS 66 -4.371 7.188 -5.757 505 2HB LYS 66 HB1 LYS 66 -2.955 6.271 -5.250 506 1HG LYS 66 HG2 LYS 66 -3.674 4.903 -6.888 507 2HG LYS 66 HG1 LYS 66 -4.663 4.252 -5.610 508 1HD LYS 66 HD2 LYS 66 -6.482 4.742 -6.841 509 2HD LYS 66 HD1 LYS 66 -6.087 6.451 -6.651 510 1HE LYS 66 HE2 LYS 66 -5.424 6.622 -8.800 511 2HE LYS 66 HE1 LYS 66 -4.411 5.185 -8.668 512 1HZ LYS 66 HZ1 LYS 66 -6.652 5.330 -10.130 513 2HZ LYS 66 HZ2 LYS 66 -7.252 4.664 -8.687 514 3HZ LYS 66 HZ3 LYS 66 -5.998 3.887 -9.528 515 H GLU 67 HN GLU 67 -2.889 7.416 -2.841 516 HA GLU 67 HA GLU 67 -4.588 9.813 -2.485 517 1HB GLU 67 HB2 GLU 67 -3.336 8.160 -0.406 518 2HB GLU 67 HB1 GLU 67 -3.262 9.882 -0.179 519 1HG GLU 67 HG2 GLU 67 -5.887 9.366 -1.021 520 2HG GLU 67 HG1 GLU 67 -5.516 8.097 0.148 521 H THR 68 HN THR 68 -3.488 11.325 -3.622 522 HA THR 68 HA THR 68 -0.567 11.657 -3.081 523 HB THR 68 HB THR 68 -0.106 11.995 -5.436 524 HG1 THR 68 HG1 THR 68 -1.661 12.551 -6.705 525 1HG2 THR 68 HG21 THR 68 -0.843 9.743 -6.366 526 2HG2 THR 68 HG22 THR 68 -1.737 9.513 -4.863 527 3HG2 THR 68 HG23 THR 68 0.019 9.684 -4.828 528 H ASP 69 HN ASP 69 -3.012 12.990 -2.122 529 HA ASP 69 HA ASP 69 -3.193 15.533 -3.544 530 1HB ASP 69 HB2 ASP 69 -4.201 14.754 -0.803 531 2HB ASP 69 HB1 ASP 69 -4.677 16.199 -1.696 532 H GLY 70 HN GLY 70 -0.780 14.349 -1.811 533 1HA GLY 70 HA2 GLY 70 1.025 16.133 -1.527 534 2HA GLY 70 HA1 GLY 70 -0.122 16.855 -0.430 535 H LEU 71 HN LEU 71 2.501 15.215 -0.417 536 HA LEU 71 HA LEU 71 2.488 12.914 0.989 537 1HB LEU 71 HB2 LEU 71 4.176 15.334 1.643 538 2HB LEU 71 HB1 LEU 71 4.474 13.728 2.273 539 HG LEU 71 HG LEU 71 4.138 13.963 -0.645 540 1HD1 LEU 71 HD11 LEU 71 6.714 14.714 0.758 541 2HD1 LEU 71 HD12 LEU 71 5.630 15.879 -0.001 542 3HD1 LEU 71 HD13 LEU 71 6.443 14.661 -0.984 543 1HD2 LEU 71 HD21 LEU 71 6.061 12.282 -0.456 544 2HD2 LEU 71 HD22 LEU 71 4.518 11.779 0.235 545 3HD2 LEU 71 HD23 LEU 71 5.809 12.357 1.287 546 HA PRO 72 HA PRO 72 3.336 11.900 2.455 547 1HB PRO 72 HB2 PRO 72 2.313 9.920 4.025 548 2HB PRO 72 HB1 PRO 72 3.542 11.060 4.608 549 1HG PRO 72 HG2 PRO 72 0.625 10.979 5.183 550 2HG PRO 72 HG1 PRO 72 1.943 11.570 6.214 551 1HD PRO 72 HD2 PRO 72 0.183 13.186 4.705 552 2HD PRO 72 HD1 PRO 72 1.733 13.719 5.394 553 H TYR 73 HN TYR 73 2.783 10.256 0.990 554 HA TYR 73 HA TYR 73 0.190 10.336 -0.238 555 1HB TYR 73 HB2 TYR 73 2.082 8.084 -0.614 556 2HB TYR 73 HB1 TYR 73 1.003 8.813 -1.791 557 HD1 TYR 73 HD1 TYR 73 4.223 8.717 -0.395 558 HD2 TYR 73 HD2 TYR 73 1.532 11.232 -2.545 559 HE1 TYR 73 HE1 TYR 73 6.149 10.048 -1.182 560 HE2 TYR 73 HE2 TYR 73 3.424 12.619 -3.326 561 HH TYR 73 HH TYR 73 6.638 11.608 -3.127 562 H ARG 74 HN ARG 74 -1.172 8.336 -0.550 563 HA ARG 74 HA ARG 74 -0.769 6.239 1.429 564 1HB ARG 74 HB2 ARG 74 -3.076 8.147 1.470 565 2HB ARG 74 HB1 ARG 74 -3.309 6.459 1.941 566 1HG ARG 74 HG2 ARG 74 -2.012 6.625 3.780 567 2HG ARG 74 HG1 ARG 74 -0.964 7.830 3.075 568 1HD ARG 74 HD2 ARG 74 -3.797 8.605 3.603 569 2HD ARG 74 HD1 ARG 74 -2.719 8.462 4.992 570 HE ARG 74 HE ARG 74 -1.205 10.092 3.688 571 1HH1 ARG 74 HH21 ARG 74 -3.793 11.198 4.989 572 2HH1 ARG 74 HH22 ARG 74 -4.341 12.256 3.731 573 1HH2 ARG 74 HH11 ARG 74 -2.259 10.894 1.316 574 2HH2 ARG 74 HH12 ARG 74 -3.471 12.085 1.653 575 H TYR 75 HN TYR 75 -1.906 4.357 0.832 576 HA TYR 75 HA TYR 75 -3.416 4.442 -1.665 577 1HB TYR 75 HB2 TYR 75 -1.215 2.481 -1.664 578 2HB TYR 75 HB1 TYR 75 -1.992 3.301 -3.017 579 HD1 TYR 75 HD1 TYR 75 -1.515 5.882 -3.233 580 HD2 TYR 75 HD2 TYR 75 0.762 3.179 -0.877 581 HE1 TYR 75 HE1 TYR 75 0.410 7.443 -3.348 582 HE2 TYR 75 HE2 TYR 75 2.719 4.723 -0.955 583 HH TYR 75 HH TYR 75 3.475 6.679 -1.678 584 H LEU 76 HN LEU 76 -5.088 3.006 -1.334 585 HA LEU 76 HA LEU 76 -4.715 1.055 0.743 586 1HB LEU 76 HB2 LEU 76 -6.893 2.168 0.628 587 2HB LEU 76 HB1 LEU 76 -7.127 1.562 -0.995 588 HG LEU 76 HG LEU 76 -6.725 -0.759 0.000 589 1HD1 LEU 76 HD11 LEU 76 -6.312 0.846 2.304 590 2HD1 LEU 76 HD12 LEU 76 -6.276 -0.914 2.187 591 3HD1 LEU 76 HD13 LEU 76 -7.787 -0.086 2.567 592 1HD2 LEU 76 HD21 LEU 76 -8.977 0.877 -0.283 593 2HD2 LEU 76 HD22 LEU 76 -9.189 -0.007 1.230 594 3HD2 LEU 76 HD23 LEU 76 -8.914 -0.884 -0.276 595 H ILE 77 HN ILE 77 -4.891 -1.290 0.168 596 HA ILE 77 HA ILE 77 -4.997 -1.848 -2.713 597 HB ILE 77 HB ILE 77 -2.770 -2.867 -0.948 598 1HG1 ILE 77 HG12 ILE 77 -2.960 -0.442 -2.727 599 2HG1 ILE 77 HG11 ILE 77 -2.392 -0.535 -1.064 600 1HG2 ILE 77 HG21 ILE 77 -2.738 -2.696 -3.951 601 2HG2 ILE 77 HG22 ILE 77 -3.591 -4.026 -3.168 602 3HG2 ILE 77 HG23 ILE 77 -1.864 -3.804 -2.894 603 1HD1 ILE 77 HD11 ILE 77 -0.383 -1.672 -1.726 604 2HD1 ILE 77 HD12 ILE 77 -0.561 -0.280 -2.793 605 3HD1 ILE 77 HD13 ILE 77 -0.977 -1.892 -3.372 606 H ARG 78 HN ARG 78 -6.743 -3.280 -2.694 607 HA ARG 78 HA ARG 78 -7.156 -5.028 -0.397 608 1HB ARG 78 HB2 ARG 78 -9.031 -5.935 -1.592 609 2HB ARG 78 HB1 ARG 78 -9.007 -4.203 -1.914 610 1HG ARG 78 HG2 ARG 78 -7.767 -4.662 -4.028 611 2HG ARG 78 HG1 ARG 78 -7.952 -6.390 -3.722 612 1HD ARG 78 HD2 ARG 78 -10.285 -4.465 -3.897 613 2HD ARG 78 HD1 ARG 78 -9.703 -5.416 -5.264 614 HE ARG 78 HE ARG 78 -10.732 -6.671 -2.748 615 1HH1 ARG 78 HH21 ARG 78 -9.292 -7.686 -5.490 616 2HH1 ARG 78 HH22 ARG 78 -10.621 -8.602 -6.117 617 1HH2 ARG 78 HH11 ARG 78 -12.910 -7.339 -3.838 618 2HH2 ARG 78 HH12 ARG 78 -12.669 -8.408 -5.181 619 H LYS 79 HN LYS 79 -6.132 -6.890 -0.013 620 HA LYS 79 HA LYS 79 -4.185 -8.013 -1.818 621 1HB LYS 79 HB2 LYS 79 -3.911 -8.445 0.520 622 2HB LYS 79 HB1 LYS 79 -5.552 -9.068 0.669 623 1HG LYS 79 HG2 LYS 79 -4.760 -11.136 0.264 624 2HG LYS 79 HG1 LYS 79 -4.290 -10.607 -1.351 625 1HD LYS 79 HD2 LYS 79 -2.101 -10.497 -0.799 626 2HD LYS 79 HD1 LYS 79 -2.443 -9.700 0.736 627 1HE LYS 79 HE2 LYS 79 -1.945 -11.651 1.754 628 2HE LYS 79 HE1 LYS 79 -3.425 -12.306 1.055 629 1HZ LYS 79 HZ1 LYS 79 -0.922 -12.212 -0.504 630 2HZ LYS 79 HZ2 LYS 79 -2.283 -13.203 -0.732 631 3HZ LYS 79 HZ3 LYS 79 -1.228 -13.490 0.568 632 H GLY 80 HN GLY 80 -4.957 -8.747 -3.769 633 1HA GLY 80 HA2 GLY 80 -6.294 -11.165 -4.087 634 2HA GLY 80 HA1 GLY 80 -7.576 -9.953 -4.060 635 H GLY 81 HN GLY 81 -7.256 -11.361 -6.371 636 1HA GLY 81 HA2 GLY 81 -6.272 -9.250 -8.213 637 2HA GLY 81 HA1 GLY 81 -5.654 -10.888 -8.430 Start of MODEL 17 1 1H MET 1 HT1 MET 1 -18.557 12.177 1.932 2 2H MET 1 HT2 MET 1 -17.330 13.298 2.284 3 3H MET 1 HT3 MET 1 -17.085 11.644 2.584 4 HA MET 1 HA MET 1 -17.718 12.483 -0.152 5 1HB MET 1 HB2 MET 1 -14.978 12.697 1.136 6 2HB MET 1 HB1 MET 1 -15.328 12.910 -0.580 7 1HG MET 1 HG2 MET 1 -15.713 15.087 -0.159 8 2HG MET 1 HG1 MET 1 -17.136 14.598 0.760 9 1HE MET 1 HE1 MET 1 -16.138 16.981 1.078 10 2HE MET 1 HE2 MET 1 -14.561 17.303 1.795 11 3HE MET 1 HE3 MET 1 -15.992 17.246 2.820 12 H THR 2 HN THR 2 -16.611 10.932 -1.636 13 HA THR 2 HA THR 2 -16.988 8.242 -0.909 14 HB THR 2 HB THR 2 -16.811 8.745 -3.231 15 HG1 THR 2 HG1 THR 2 -15.887 6.867 -3.305 16 1HG2 THR 2 HG21 THR 2 -14.382 10.206 -2.336 17 2HG2 THR 2 HG22 THR 2 -15.578 10.651 -3.554 18 3HG2 THR 2 HG23 THR 2 -14.318 9.480 -3.942 19 H ASP 3 HN ASP 3 -15.976 7.295 0.808 20 HA ASP 3 HA ASP 3 -13.035 7.762 1.104 21 1HB ASP 3 HB2 ASP 3 -15.155 7.079 3.156 22 2HB ASP 3 HB1 ASP 3 -13.425 7.025 3.497 23 H LEU 4 HN LEU 4 -12.258 6.041 -0.150 24 HA LEU 4 HA LEU 4 -13.360 3.334 0.264 25 1HB LEU 4 HB2 LEU 4 -11.005 4.242 -1.423 26 2HB LEU 4 HB1 LEU 4 -11.784 2.661 -1.486 27 HG LEU 4 HG LEU 4 -13.178 5.289 -2.070 28 1HD1 LEU 4 HD11 LEU 4 -11.829 5.043 -3.942 29 2HD1 LEU 4 HD12 LEU 4 -13.214 4.062 -4.424 30 3HD1 LEU 4 HD13 LEU 4 -11.761 3.287 -3.791 31 1HD2 LEU 4 HD21 LEU 4 -14.038 2.401 -2.443 32 2HD2 LEU 4 HD22 LEU 4 -14.979 3.819 -2.904 33 3HD2 LEU 4 HD23 LEU 4 -14.647 3.497 -1.202 34 H PHE 5 HN PHE 5 -11.020 5.320 1.674 35 HA PHE 5 HA PHE 5 -9.190 3.164 2.461 36 1HB PHE 5 HB2 PHE 5 -9.315 6.129 2.822 37 2HB PHE 5 HB1 PHE 5 -8.366 5.193 3.975 38 HD1 PHE 5 HD1 PHE 5 -6.421 6.550 2.969 39 HD2 PHE 5 HD2 PHE 5 -8.643 3.630 0.746 40 HE1 PHE 5 HE1 PHE 5 -4.598 6.365 1.313 41 HE2 PHE 5 HE2 PHE 5 -6.768 3.467 -0.874 42 HZ PHE 5 HZ PHE 5 -4.756 4.887 -0.610 43 H SER 6 HN SER 6 -12.174 3.468 3.313 44 HA SER 6 HA SER 6 -12.529 4.028 5.997 45 1HB SER 6 HB2 SER 6 -13.581 1.564 4.578 46 2HB SER 6 HB1 SER 6 -14.254 2.280 6.039 47 HG SER 6 HG SER 6 -14.950 3.986 4.894 48 H SER 7 HN SER 7 -12.781 2.222 7.790 49 HA SER 7 HA SER 7 -10.281 1.393 8.656 50 1HB SER 7 HB2 SER 7 -11.672 -0.543 9.795 51 2HB SER 7 HB1 SER 7 -11.930 1.133 10.271 52 HG SER 7 HG SER 7 -13.433 -0.401 8.409 53 HA PRO 8 HA PRO 8 -9.602 -1.649 5.380 54 1HB PRO 8 HB2 PRO 8 -6.870 -1.597 5.642 55 2HB PRO 8 HB1 PRO 8 -7.784 -0.421 4.685 56 1HG PRO 8 HG2 PRO 8 -6.505 -0.072 7.358 57 2HG PRO 8 HG1 PRO 8 -6.833 1.134 6.104 58 1HD PRO 8 HD2 PRO 8 -8.355 0.747 8.446 59 2HD PRO 8 HD1 PRO 8 -8.858 1.677 7.022 60 H ASP 9 HN ASP 9 -8.192 -3.745 5.468 61 HA ASP 9 HA ASP 9 -8.718 -5.044 8.057 62 1HB ASP 9 HB2 ASP 9 -7.623 -6.079 5.426 63 2HB ASP 9 HB1 ASP 9 -7.885 -7.090 6.847 64 H HIS 10 HN HIS 10 -6.061 -3.650 6.326 65 HA HIS 10 HA HIS 10 -4.263 -4.330 8.587 66 1HB HIS 10 HB2 HIS 10 -3.869 -5.067 5.696 67 2HB HIS 10 HB1 HIS 10 -2.480 -4.768 6.734 68 HD1 HIS 10 HD1 HIS 10 -1.679 -6.776 7.987 69 HD2 HIS 10 HD2 HIS 10 -5.723 -7.079 7.018 70 HE1 HIS 10 HE1 HIS 10 -2.443 -9.050 8.802 71 H THR 11 HN THR 11 -2.086 -3.037 8.206 72 HA THR 11 HA THR 11 -2.550 -0.544 6.671 73 HB THR 11 HB THR 11 -1.749 -0.556 9.577 74 HG1 THR 11 HG1 THR 11 -3.841 0.292 9.905 75 1HG2 THR 11 HG21 THR 11 -2.522 1.954 9.100 76 2HG2 THR 11 HG22 THR 11 -2.045 1.521 7.458 77 3HG2 THR 11 HG23 THR 11 -0.875 1.420 8.773 78 H LEU 12 HN LEU 12 -0.550 0.692 6.410 79 HA LEU 12 HA LEU 12 1.978 -0.653 7.181 80 1HB LEU 12 HB2 LEU 12 1.646 -1.679 5.039 81 2HB LEU 12 HB1 LEU 12 1.099 -0.161 4.334 82 HG LEU 12 HG LEU 12 3.319 0.784 4.338 83 1HD1 LEU 12 HD11 LEU 12 3.835 -1.391 6.369 84 2HD1 LEU 12 HD12 LEU 12 4.162 0.338 6.484 85 3HD1 LEU 12 HD13 LEU 12 5.174 -0.682 5.468 86 1HD2 LEU 12 HD21 LEU 12 3.240 -0.785 2.565 87 2HD2 LEU 12 HD22 LEU 12 3.322 -2.167 3.660 88 3HD2 LEU 12 HD23 LEU 12 4.745 -1.156 3.405 89 H ASP 13 HN ASP 13 3.042 1.057 8.134 90 HA ASP 13 HA ASP 13 2.604 3.792 7.123 91 1HB ASP 13 HB2 ASP 13 2.914 3.606 9.513 92 2HB ASP 13 HB1 ASP 13 4.375 2.639 9.304 93 H ALA 14 HN ALA 14 4.168 4.917 5.810 94 HA ALA 14 HA ALA 14 6.696 3.468 5.311 95 1HB ALA 14 HB1 ALA 14 6.297 2.842 3.198 96 2HB ALA 14 HB2 ALA 14 5.479 4.354 2.806 97 3HB ALA 14 HB3 ALA 14 4.597 3.052 3.608 98 H LEU 15 HN LEU 15 5.576 5.906 6.485 99 HA LEU 15 HA LEU 15 6.679 8.148 5.018 100 1HB LEU 15 HB2 LEU 15 6.034 8.261 7.917 101 2HB LEU 15 HB1 LEU 15 5.714 9.417 6.636 102 HG LEU 15 HG LEU 15 4.208 6.877 7.229 103 1HD1 LEU 15 HD11 LEU 15 3.613 9.013 8.420 104 2HD1 LEU 15 HD12 LEU 15 2.310 8.340 7.442 105 3HD1 LEU 15 HD13 LEU 15 3.239 9.715 6.845 106 1HD2 LEU 15 HD21 LEU 15 3.040 8.270 5.051 107 2HD2 LEU 15 HD22 LEU 15 3.773 6.668 5.033 108 3HD2 LEU 15 HD23 LEU 15 4.750 8.089 4.673 109 H GLY 16 HN GLY 16 8.808 8.198 4.896 110 1HA GLY 16 HA2 GLY 16 11.006 8.531 5.850 111 2HA GLY 16 HA1 GLY 16 10.426 7.799 7.355 112 H LEU 17 HN LEU 17 9.133 5.945 4.999 113 HA LEU 17 HA LEU 17 11.233 3.880 5.225 114 1HB LEU 17 HB2 LEU 17 8.386 3.815 4.173 115 2HB LEU 17 HB1 LEU 17 9.477 2.434 4.158 116 HG LEU 17 HG LEU 17 8.092 3.739 6.451 117 1HD1 LEU 17 HD11 LEU 17 7.288 1.627 5.525 118 2HD1 LEU 17 HD12 LEU 17 7.986 1.318 7.115 119 3HD1 LEU 17 HD13 LEU 17 8.898 0.923 5.658 120 1HD2 LEU 17 HD21 LEU 17 9.710 2.793 8.026 121 2HD2 LEU 17 HD22 LEU 17 10.499 3.975 6.981 122 3HD2 LEU 17 HD23 LEU 17 10.718 2.250 6.686 123 H ARG 18 HN ARG 18 12.117 2.987 3.303 124 HA ARG 18 HA ARG 18 11.243 4.312 0.806 125 1HB ARG 18 HB2 ARG 18 13.728 4.655 0.232 126 2HB ARG 18 HB1 ARG 18 12.945 5.773 1.349 127 1HG ARG 18 HG2 ARG 18 14.564 5.300 2.847 128 2HG ARG 18 HG1 ARG 18 13.892 3.672 2.958 129 1HD ARG 18 HD2 ARG 18 15.291 3.299 0.737 130 2HD ARG 18 HD1 ARG 18 16.233 4.650 1.368 131 HE ARG 18 HE ARG 18 15.954 1.990 2.660 132 1HH1 ARG 18 HH11 ARG 18 16.081 4.222 4.673 133 2HH1 ARG 18 HH12 ARG 18 17.786 4.361 4.943 134 1HH2 ARG 18 HH21 ARG 18 18.651 2.579 2.099 135 2HH2 ARG 18 HH22 ARG 18 19.241 3.430 3.487 136 H CYS 19 HN CYS 19 11.715 3.105 -1.041 137 HA CYS 19 HA CYS 19 11.570 0.325 -0.842 138 1HB CYS 19 HB2 CYS 19 11.192 1.309 -2.965 139 2HB CYS 19 HB1 CYS 19 12.791 2.045 -3.003 140 HG CYS 19 HG CYS 19 12.921 -0.129 -4.447 141 HA PRO 20 HA PRO 20 12.018 -1.477 -1.458 142 1HB PRO 20 HB2 PRO 20 12.883 -3.842 -0.403 143 2HB PRO 20 HB1 PRO 20 13.443 -3.229 -1.969 144 1HG PRO 20 HG2 PRO 20 14.896 -3.344 0.624 145 2HG PRO 20 HG1 PRO 20 15.546 -3.304 -1.019 146 1HD PRO 20 HD2 PRO 20 15.371 -1.121 0.809 147 2HD PRO 20 HD1 PRO 20 15.856 -1.046 -0.898 148 H GLU 21 HN GLU 21 13.018 -0.435 1.534 149 HA GLU 21 HA GLU 21 11.911 -2.129 3.437 150 1HB GLU 21 HB2 GLU 21 12.292 0.804 3.404 151 2HB GLU 21 HB1 GLU 21 11.531 0.042 4.791 152 1HG GLU 21 HG2 GLU 21 13.508 -0.751 5.534 153 2HG GLU 21 HG1 GLU 21 13.909 -1.408 3.947 154 HA PRO 22 HA PRO 22 7.695 0.062 3.287 155 1HB PRO 22 HB2 PRO 22 7.134 1.341 0.912 156 2HB PRO 22 HB1 PRO 22 7.788 2.152 2.332 157 1HG PRO 22 HG2 PRO 22 9.178 1.358 -0.181 158 2HG PRO 22 HG1 PRO 22 9.532 2.700 0.921 159 1HD PRO 22 HD2 PRO 22 10.945 0.299 0.828 160 2HD PRO 22 HD1 PRO 22 10.957 1.416 2.200 161 H VAL 23 HN VAL 23 8.499 -0.501 -0.117 162 HA VAL 23 HA VAL 23 6.370 -2.194 -0.810 163 HB VAL 23 HB VAL 23 9.293 -2.353 -1.591 164 1HG1 VAL 23 HG11 VAL 23 8.387 -4.463 -2.179 165 2HG1 VAL 23 HG12 VAL 23 8.262 -3.513 -3.659 166 3HG1 VAL 23 HG13 VAL 23 6.840 -3.761 -2.647 167 1HG2 VAL 23 HG21 VAL 23 8.828 -0.817 -3.246 168 2HG2 VAL 23 HG22 VAL 23 7.613 -0.306 -2.074 169 3HG2 VAL 23 HG23 VAL 23 7.157 -1.353 -3.417 170 H MET 24 HN MET 24 9.152 -2.758 1.243 171 HA MET 24 HA MET 24 9.001 -5.658 1.213 172 1HB MET 24 HB2 MET 24 10.397 -3.587 2.853 173 2HB MET 24 HB1 MET 24 10.257 -5.212 3.520 174 1HG MET 24 HG2 MET 24 11.026 -5.349 0.737 175 2HG MET 24 HG1 MET 24 12.142 -4.312 1.624 176 1HE MET 24 HE1 MET 24 14.026 -7.474 1.213 177 2HE MET 24 HE2 MET 24 13.090 -6.343 0.239 178 3HE MET 24 HE3 MET 24 12.471 -7.966 0.528 179 H MET 25 HN MET 25 7.730 -3.139 3.381 180 HA MET 25 HA MET 25 6.629 -4.900 5.329 181 1HB MET 25 HB2 MET 25 6.134 -2.072 4.496 182 2HB MET 25 HB1 MET 25 4.919 -2.856 5.508 183 1HG MET 25 HG2 MET 25 6.241 -2.263 7.251 184 2HG MET 25 HG1 MET 25 7.276 -3.595 6.737 185 1HE MET 25 HE1 MET 25 10.106 -1.225 7.418 186 2HE MET 25 HE2 MET 25 9.442 -2.854 7.525 187 3HE MET 25 HE3 MET 25 8.660 -1.532 8.388 188 H VAL 26 HN VAL 26 5.177 -3.480 2.389 189 HA VAL 26 HA VAL 26 2.611 -4.697 2.715 190 HB VAL 26 HB VAL 26 4.133 -3.935 0.214 191 1HG1 VAL 26 HG11 VAL 26 1.945 -5.641 0.309 192 2HG1 VAL 26 HG12 VAL 26 2.401 -4.657 -1.079 193 3HG1 VAL 26 HG13 VAL 26 1.196 -4.066 0.065 194 1HG2 VAL 26 HG21 VAL 26 2.026 -2.231 0.444 195 2HG2 VAL 26 HG22 VAL 26 3.619 -1.899 1.127 196 3HG2 VAL 26 HG23 VAL 26 2.345 -2.573 2.144 197 H ARG 27 HN ARG 27 5.678 -5.969 1.601 198 HA ARG 27 HA ARG 27 4.654 -8.319 0.291 199 1HB ARG 27 HB2 ARG 27 7.268 -7.411 1.258 200 2HB ARG 27 HB1 ARG 27 7.019 -9.152 1.466 201 1HG ARG 27 HG2 ARG 27 6.123 -8.094 -1.129 202 2HG ARG 27 HG1 ARG 27 7.859 -7.995 -0.864 203 1HD ARG 27 HD2 ARG 27 7.513 -10.479 0.014 204 2HD ARG 27 HD1 ARG 27 6.098 -10.406 -1.034 205 HE ARG 27 HE ARG 27 8.442 -9.456 -2.424 206 1HH1 ARG 27 HH11 ARG 27 8.605 -12.273 -0.848 207 2HH1 ARG 27 HH12 ARG 27 8.490 -13.321 -2.221 208 1HH2 ARG 27 HH21 ARG 27 7.522 -10.801 -4.398 209 2HH2 ARG 27 HH22 ARG 27 7.876 -12.489 -4.232 210 H LYS 28 HN LYS 28 5.950 -7.894 3.563 211 HA LYS 28 HA LYS 28 5.330 -10.486 4.549 212 1HB LYS 28 HB2 LYS 28 5.528 -7.838 6.016 213 2HB LYS 28 HB1 LYS 28 5.453 -9.411 6.812 214 1HG LYS 28 HG2 LYS 28 7.468 -9.379 4.713 215 2HG LYS 28 HG1 LYS 28 7.765 -8.120 5.912 216 1HD LYS 28 HD2 LYS 28 7.050 -10.296 7.468 217 2HD LYS 28 HD1 LYS 28 7.997 -11.030 6.173 218 1HE LYS 28 HE2 LYS 28 9.784 -10.425 7.448 219 2HE LYS 28 HE1 LYS 28 9.513 -8.829 6.745 220 1HZ LYS 28 HZ1 LYS 28 8.350 -8.120 8.617 221 2HZ LYS 28 HZ2 LYS 28 9.653 -8.997 9.264 222 3HZ LYS 28 HZ3 LYS 28 8.106 -9.696 9.194 223 H THR 29 HN THR 29 3.525 -7.461 4.750 224 HA THR 29 HA THR 29 1.214 -8.450 6.098 225 HB THR 29 HB THR 29 1.993 -6.142 4.411 226 HG1 THR 29 HG1 THR 29 1.850 -6.553 6.876 227 1HG2 THR 29 HG21 THR 29 -0.919 -6.593 5.077 228 2HG2 THR 29 HG22 THR 29 -0.225 -6.817 3.470 229 3HG2 THR 29 HG23 THR 29 -0.221 -5.223 4.218 230 H VAL 30 HN VAL 30 2.212 -8.315 2.762 231 HA VAL 30 HA VAL 30 -0.246 -9.226 1.563 232 HB VAL 30 HB VAL 30 2.650 -9.020 0.755 233 1HG1 VAL 30 HG11 VAL 30 1.882 -11.143 -0.194 234 2HG1 VAL 30 HG12 VAL 30 2.098 -9.931 -1.458 235 3HG1 VAL 30 HG13 VAL 30 0.478 -10.330 -0.888 236 1HG2 VAL 30 HG21 VAL 30 0.861 -7.125 0.663 237 2HG2 VAL 30 HG22 VAL 30 0.240 -7.994 -0.740 238 3HG2 VAL 30 HG23 VAL 30 1.890 -7.372 -0.749 239 H ARG 31 HN ARG 31 2.510 -10.660 3.070 240 HA ARG 31 HA ARG 31 1.994 -13.395 2.213 241 1HB ARG 31 HB2 ARG 31 3.728 -12.197 4.393 242 2HB ARG 31 HB1 ARG 31 3.702 -13.917 3.999 243 1HG ARG 31 HG2 ARG 31 4.606 -13.542 1.823 244 2HG ARG 31 HG1 ARG 31 4.286 -11.817 1.898 245 1HD ARG 31 HD2 ARG 31 6.717 -12.857 2.382 246 2HD ARG 31 HD1 ARG 31 6.146 -11.387 3.168 247 HE ARG 31 HE ARG 31 5.976 -12.596 5.204 248 1HH1 ARG 31 HH11 ARG 31 7.712 -14.354 2.987 249 2HH1 ARG 31 HH12 ARG 31 7.418 -15.907 3.695 250 1HH2 ARG 31 HH21 ARG 31 5.025 -14.735 5.915 251 2HH2 ARG 31 HH22 ARG 31 5.896 -16.123 5.354 252 H ASN 32 HN ASN 32 1.089 -11.270 4.848 253 HA ASN 32 HA ASN 32 -0.263 -13.569 6.199 254 1HB ASN 32 HB2 ASN 32 -0.379 -12.166 8.184 255 2HB ASN 32 HB1 ASN 32 1.279 -12.177 7.588 256 1HD2 ASN 32 HD21 ASN 32 1.660 -10.060 8.620 257 2HD2 ASN 32 HD22 ASN 32 1.032 -8.640 7.937 258 H MET 33 HN MET 33 -0.971 -11.386 3.898 259 HA MET 33 HA MET 33 -3.598 -10.559 4.962 260 1HB MET 33 HB2 MET 33 -1.957 -9.868 2.569 261 2HB MET 33 HB1 MET 33 -3.708 -9.734 2.411 262 1HG MET 33 HG2 MET 33 -3.434 -8.517 4.778 263 2HG MET 33 HG1 MET 33 -1.836 -8.174 4.133 264 1HE MET 33 HE1 MET 33 -5.218 -8.821 2.983 265 2HE MET 33 HE2 MET 33 -5.537 -7.711 1.654 266 3HE MET 33 HE3 MET 33 -5.900 -7.221 3.305 267 H GLN 34 HN GLN 34 -5.496 -10.904 3.403 268 HA GLN 34 HA GLN 34 -5.366 -13.642 2.210 269 1HB GLN 34 HB2 GLN 34 -7.650 -12.397 3.781 270 2HB GLN 34 HB1 GLN 34 -7.708 -13.965 2.976 271 1HG GLN 34 HG2 GLN 34 -5.412 -14.190 4.465 272 2HG GLN 34 HG1 GLN 34 -6.431 -13.210 5.520 273 1HE2 GLN 34 HE21 GLN 34 -7.884 -14.377 6.789 274 2HE2 GLN 34 HE22 GLN 34 -8.413 -15.956 6.460 275 HA PRO 35 HA PRO 35 -6.942 -11.684 -1.352 276 1HB PRO 35 HB2 PRO 35 -8.386 -13.763 -2.458 277 2HB PRO 35 HB1 PRO 35 -6.621 -13.635 -2.522 278 1HG PRO 35 HG2 PRO 35 -8.320 -15.382 -0.787 279 2HG PRO 35 HG1 PRO 35 -6.684 -15.670 -1.407 280 1HD PRO 35 HD2 PRO 35 -7.282 -14.854 1.210 281 2HD PRO 35 HD1 PRO 35 -5.695 -14.684 0.428 282 H GLY 36 HN GLY 36 -8.553 -10.240 -1.416 283 1HA GLY 36 HA2 GLY 36 -10.914 -9.662 -1.603 284 2HA GLY 36 HA1 GLY 36 -11.286 -11.039 -0.556 285 H GLU 37 HN GLU 37 -8.489 -9.260 0.322 286 HA GLU 37 HA GLU 37 -10.037 -7.955 2.529 287 1HB GLU 37 HB2 GLU 37 -7.411 -9.376 2.437 288 2HB GLU 37 HB1 GLU 37 -7.569 -8.014 3.541 289 1HG GLU 37 HG2 GLU 37 -8.180 -10.149 4.641 290 2HG GLU 37 HG1 GLU 37 -9.552 -9.044 4.561 291 H THR 38 HN THR 38 -8.338 -6.107 3.472 292 HA THR 38 HA THR 38 -7.289 -4.615 1.125 293 HB THR 38 HB THR 38 -8.362 -2.548 2.431 294 HG1 THR 38 HG1 THR 38 -9.512 -3.414 3.988 295 1HG2 THR 38 HG21 THR 38 -10.164 -2.615 0.815 296 2HG2 THR 38 HG22 THR 38 -9.990 -4.361 0.632 297 3HG2 THR 38 HG23 THR 38 -8.718 -3.282 0.057 298 H LEU 39 HN LEU 39 -5.760 -2.971 1.665 299 HA LEU 39 HA LEU 39 -4.697 -2.994 4.455 300 1HB LEU 39 HB2 LEU 39 -3.331 -4.638 3.367 301 2HB LEU 39 HB1 LEU 39 -3.192 -3.659 1.909 302 HG LEU 39 HG LEU 39 -2.146 -1.910 3.652 303 1HD1 LEU 39 HD11 LEU 39 -0.605 -3.522 5.089 304 2HD1 LEU 39 HD12 LEU 39 -2.001 -4.591 4.950 305 3HD1 LEU 39 HD13 LEU 39 -2.180 -2.996 5.682 306 1HD2 LEU 39 HD21 LEU 39 -1.129 -3.008 1.583 307 2HD2 LEU 39 HD22 LEU 39 -0.519 -4.260 2.663 308 3HD2 LEU 39 HD23 LEU 39 0.009 -2.589 2.863 309 H LEU 40 HN LEU 40 -4.614 -0.828 5.006 310 HA LEU 40 HA LEU 40 -4.428 1.202 2.875 311 1HB LEU 40 HB2 LEU 40 -5.992 1.791 4.573 312 2HB LEU 40 HB1 LEU 40 -4.884 1.327 5.865 313 HG LEU 40 HG LEU 40 -3.356 3.176 5.148 314 1HD1 LEU 40 HD11 LEU 40 -3.686 4.082 3.115 315 2HD1 LEU 40 HD12 LEU 40 -5.170 4.811 3.731 316 3HD1 LEU 40 HD13 LEU 40 -5.223 3.234 2.944 317 1HD2 LEU 40 HD21 LEU 40 -4.422 4.520 6.625 318 2HD2 LEU 40 HD22 LEU 40 -5.696 3.301 6.651 319 3HD2 LEU 40 HD23 LEU 40 -5.824 4.689 5.570 320 H ILE 41 HN ILE 41 -2.590 2.490 2.576 321 HA ILE 41 HA ILE 41 -0.273 1.929 4.372 322 HB ILE 41 HB ILE 41 -0.017 2.122 1.370 323 1HG1 ILE 41 HG12 ILE 41 -0.776 -0.233 3.096 324 2HG1 ILE 41 HG11 ILE 41 -1.411 0.248 1.531 325 1HG2 ILE 41 HG21 ILE 41 1.863 0.431 2.794 326 2HG2 ILE 41 HG22 ILE 41 1.807 2.035 3.516 327 3HG2 ILE 41 HG23 ILE 41 2.177 1.852 1.802 328 1HD1 ILE 41 HD11 ILE 41 -0.074 -1.593 0.978 329 2HD1 ILE 41 HD12 ILE 41 1.174 -1.152 2.143 330 3HD1 ILE 41 HD13 ILE 41 0.994 -0.228 0.654 331 H ILE 42 HN ILE 42 1.351 3.624 4.373 332 HA ILE 42 HA ILE 42 0.526 6.132 3.022 333 HB ILE 42 HB ILE 42 1.926 6.264 5.662 334 1HG1 ILE 42 HG12 ILE 42 -0.954 5.525 5.207 335 2HG1 ILE 42 HG11 ILE 42 0.172 4.915 6.423 336 1HG2 ILE 42 HG21 ILE 42 1.121 8.125 3.842 337 2HG2 ILE 42 HG22 ILE 42 1.273 8.463 5.564 338 3HG2 ILE 42 HG23 ILE 42 -0.301 8.068 4.878 339 1HD1 ILE 42 HD11 ILE 42 -1.413 6.406 7.502 340 2HD1 ILE 42 HD12 ILE 42 -1.061 7.674 6.325 341 3HD1 ILE 42 HD13 ILE 42 0.176 7.173 7.480 342 H ALA 43 HN ALA 43 2.481 7.544 2.804 343 HA ALA 43 HA ALA 43 5.080 6.312 3.144 344 1HB ALA 43 HB1 ALA 43 5.440 5.412 1.101 345 2HB ALA 43 HB2 ALA 43 4.732 6.805 0.283 346 3HB ALA 43 HB3 ALA 43 3.694 5.506 0.873 347 H ASP 44 HN ASP 44 6.502 7.946 3.325 348 HA ASP 44 HA ASP 44 5.647 10.567 2.208 349 1HB ASP 44 HB2 ASP 44 6.704 11.664 3.928 350 2HB ASP 44 HB1 ASP 44 6.295 10.191 4.779 351 H ASP 45 HN ASP 45 7.950 8.005 2.267 352 HA ASP 45 HA ASP 45 10.064 9.272 0.821 353 1HB ASP 45 HB2 ASP 45 10.566 7.194 1.714 354 2HB ASP 45 HB1 ASP 45 9.057 6.502 1.152 355 HA PRO 46 HA PRO 46 7.969 9.899 -3.020 356 1HB PRO 46 HB2 PRO 46 10.195 10.358 -4.565 357 2HB PRO 46 HB1 PRO 46 9.519 11.554 -3.445 358 1HG PRO 46 HG2 PRO 46 11.976 9.890 -3.160 359 2HG PRO 46 HG1 PRO 46 11.593 11.459 -2.431 360 1HD PRO 46 HD2 PRO 46 11.460 8.947 -1.130 361 2HD PRO 46 HD1 PRO 46 10.778 10.468 -0.531 362 H ALA 47 HN ALA 47 10.334 7.474 -2.501 363 HA ALA 47 HA ALA 47 9.917 6.178 -5.121 364 1HB ALA 47 HB1 ALA 47 11.957 6.132 -3.130 365 2HB ALA 47 HB2 ALA 47 11.958 5.332 -4.701 366 3HB ALA 47 HB3 ALA 47 11.328 4.492 -3.285 367 H THR 48 HN THR 48 8.214 6.268 -2.262 368 HA THR 48 HA THR 48 7.474 3.411 -2.259 369 HB THR 48 HB THR 48 5.778 4.323 -0.494 370 HG1 THR 48 HG1 THR 48 7.547 6.377 -0.057 371 1HG2 THR 48 HG21 THR 48 8.408 3.412 -0.389 372 2HG2 THR 48 HG22 THR 48 7.290 3.527 0.970 373 3HG2 THR 48 HG23 THR 48 8.407 4.848 0.634 374 H THR 49 HN THR 49 6.026 6.545 -3.095 375 HA THR 49 HA THR 49 3.409 5.612 -3.708 376 HB THR 49 HB THR 49 3.053 7.668 -4.710 377 HG1 THR 49 HG1 THR 49 4.459 8.554 -6.159 378 1HG2 THR 49 HG21 THR 49 5.718 8.569 -3.748 379 2HG2 THR 49 HG22 THR 49 4.649 7.821 -2.562 380 3HG2 THR 49 HG23 THR 49 4.122 9.253 -3.445 381 H ARG 50 HN ARG 50 6.435 5.450 -5.447 382 HA ARG 50 HA ARG 50 5.046 4.339 -7.827 383 1HB ARG 50 HB2 ARG 50 7.878 5.207 -7.286 384 2HB ARG 50 HB1 ARG 50 7.431 4.342 -8.757 385 1HG ARG 50 HG2 ARG 50 5.601 6.130 -9.048 386 2HG ARG 50 HG1 ARG 50 6.472 7.048 -7.819 387 1HD ARG 50 HD2 ARG 50 8.551 6.806 -9.232 388 2HD ARG 50 HD1 ARG 50 7.536 6.113 -10.498 389 HE ARG 50 HE ARG 50 7.652 8.935 -9.743 390 1HH1 ARG 50 HH11 ARG 50 4.774 8.398 -9.557 391 2HH1 ARG 50 HH12 ARG 50 4.233 8.557 -11.195 392 1HH2 ARG 50 HH21 ARG 50 7.410 8.276 -12.553 393 2HH2 ARG 50 HH22 ARG 50 5.725 8.488 -12.890 394 H ASP 51 HN ASP 51 7.389 3.300 -5.382 395 HA ASP 51 HA ASP 51 7.660 0.677 -6.666 396 1HB ASP 51 HB2 ASP 51 8.750 1.746 -4.048 397 2HB ASP 51 HB1 ASP 51 9.189 0.196 -4.771 398 H ILE 52 HN ILE 52 6.294 1.822 -3.555 399 HA ILE 52 HA ILE 52 5.610 -0.700 -2.537 400 HB ILE 52 HB ILE 52 4.570 2.051 -2.135 401 1HG1 ILE 52 HG12 ILE 52 5.667 -0.197 -0.450 402 2HG1 ILE 52 HG11 ILE 52 6.396 1.374 -0.786 403 1HG2 ILE 52 HG21 ILE 52 3.102 -0.399 -1.102 404 2HG2 ILE 52 HG22 ILE 52 2.471 0.737 -2.296 405 3HG2 ILE 52 HG23 ILE 52 2.768 1.270 -0.642 406 1HD1 ILE 52 HD11 ILE 52 5.392 1.220 1.507 407 2HD1 ILE 52 HD12 ILE 52 3.814 0.993 0.756 408 3HD1 ILE 52 HD13 ILE 52 4.692 2.505 0.524 409 HA PRO 53 HA PRO 53 1.474 -0.576 -4.825 410 1HB PRO 53 HB2 PRO 53 1.292 1.182 -6.925 411 2HB PRO 53 HB1 PRO 53 0.707 1.507 -5.283 412 1HG PRO 53 HG2 PRO 53 3.135 2.550 -6.669 413 2HG PRO 53 HG1 PRO 53 2.193 3.287 -5.361 414 1HD PRO 53 HD2 PRO 53 4.657 1.969 -5.054 415 2HD PRO 53 HD1 PRO 53 3.523 2.345 -3.739 416 H GLY 54 HN GLY 54 4.081 0.492 -7.036 417 1HA GLY 54 HA2 GLY 54 3.498 -1.244 -9.162 418 2HA GLY 54 HA1 GLY 54 5.153 -0.779 -8.723 419 H PHE 55 HN PHE 55 4.684 -1.936 -5.956 420 HA PHE 55 HA PHE 55 5.553 -4.645 -6.625 421 1HB PHE 55 HB2 PHE 55 6.634 -3.982 -4.697 422 2HB PHE 55 HB1 PHE 55 5.273 -3.012 -4.140 423 HD1 PHE 55 HD1 PHE 55 5.282 -6.603 -5.205 424 HD2 PHE 55 HD2 PHE 55 4.857 -3.821 -1.969 425 HE1 PHE 55 HE1 PHE 55 4.521 -8.437 -3.732 426 HE2 PHE 55 HE2 PHE 55 4.102 -5.661 -0.508 427 HZ PHE 55 HZ PHE 55 3.922 -7.966 -1.381 428 H CYS 56 HN CYS 56 2.723 -3.305 -4.810 429 HA CYS 56 HA CYS 56 1.385 -5.758 -4.460 430 1HB CYS 56 HB2 CYS 56 0.400 -2.943 -4.862 431 2HB CYS 56 HB1 CYS 56 -0.729 -4.280 -4.626 432 HG CYS 56 HG CYS 56 0.883 -4.752 -2.384 433 H THR 57 HN THR 57 1.468 -3.664 -7.311 434 HA THR 57 HA THR 57 -0.530 -5.128 -8.784 435 HB THR 57 HB THR 57 1.801 -3.490 -9.825 436 HG1 THR 57 HG1 THR 57 -0.047 -2.655 -8.347 437 1HG2 THR 57 HG21 THR 57 -0.571 -4.793 -11.076 438 2HG2 THR 57 HG22 THR 57 1.045 -4.534 -11.731 439 3HG2 THR 57 HG23 THR 57 -0.107 -3.201 -11.673 440 H PHE 58 HN PHE 58 2.935 -5.501 -8.348 441 HA PHE 58 HA PHE 58 3.346 -7.416 -10.453 442 1HB PHE 58 HB2 PHE 58 5.038 -5.997 -8.990 443 2HB PHE 58 HB1 PHE 58 5.024 -7.440 -7.976 444 HD1 PHE 58 HD1 PHE 58 6.607 -5.910 -10.703 445 HD2 PHE 58 HD2 PHE 58 5.171 -9.733 -9.374 446 HE1 PHE 58 HE1 PHE 58 8.149 -7.038 -12.285 447 HE2 PHE 58 HE2 PHE 58 6.712 -10.862 -10.957 448 HZ PHE 58 HZ PHE 58 8.203 -9.515 -12.411 449 H MET 59 HN MET 59 2.342 -7.768 -7.063 450 HA MET 59 HA MET 59 2.627 -10.686 -7.241 451 1HB MET 59 HB2 MET 59 2.058 -8.756 -5.102 452 2HB MET 59 HB1 MET 59 1.400 -10.372 -4.896 453 1HG MET 59 HG2 MET 59 3.715 -10.078 -3.939 454 2HG MET 59 HG1 MET 59 3.587 -11.364 -5.137 455 1HE MET 59 HE1 MET 59 6.043 -11.506 -5.612 456 2HE MET 59 HE2 MET 59 6.528 -10.722 -7.113 457 3HE MET 59 HE3 MET 59 5.018 -11.627 -7.049 458 H GLU 60 HN GLU 60 0.369 -8.660 -8.434 459 HA GLU 60 HA GLU 60 -1.700 -9.241 -9.407 460 1HB GLU 60 HB2 GLU 60 -2.383 -11.414 -9.462 461 2HB GLU 60 HB1 GLU 60 -0.773 -11.710 -8.816 462 1HG GLU 60 HG2 GLU 60 -2.113 -11.240 -6.506 463 2HG GLU 60 HG1 GLU 60 -3.418 -11.919 -7.480 464 H HIS 61 HN HIS 61 -1.188 -7.778 -6.834 465 HA HIS 61 HA HIS 61 -3.732 -8.204 -5.389 466 1HB HIS 61 HB2 HIS 61 -1.477 -6.252 -4.811 467 2HB HIS 61 HB1 HIS 61 -2.787 -6.711 -3.729 468 HD1 HIS 61 HD1 HIS 61 -2.232 -9.772 -5.149 469 HD2 HIS 61 HD2 HIS 61 0.126 -7.494 -2.576 470 HE1 HIS 61 HE1 HIS 61 -0.613 -11.375 -4.058 471 H GLU 62 HN GLU 62 -4.798 -5.896 -4.780 472 HA GLU 62 HA GLU 62 -4.803 -4.321 -7.325 473 1HB GLU 62 HB2 GLU 62 -7.002 -5.388 -5.648 474 2HB GLU 62 HB1 GLU 62 -7.250 -3.813 -6.382 475 1HG GLU 62 HG2 GLU 62 -6.093 -5.834 -8.197 476 2HG GLU 62 HG1 GLU 62 -7.726 -6.208 -7.643 477 H LEU 63 HN LEU 63 -4.892 -2.139 -7.186 478 HA LEU 63 HA LEU 63 -4.280 -0.900 -4.568 479 1HB LEU 63 HB2 LEU 63 -2.937 0.119 -6.195 480 2HB LEU 63 HB1 LEU 63 -4.155 -0.057 -7.453 481 HG LEU 63 HG LEU 63 -5.524 1.698 -6.187 482 1HD1 LEU 63 HD11 LEU 63 -4.734 2.591 -4.272 483 2HD1 LEU 63 HD12 LEU 63 -3.152 2.885 -4.994 484 3HD1 LEU 63 HD13 LEU 63 -3.514 1.317 -4.274 485 1HD2 LEU 63 HD21 LEU 63 -3.052 3.108 -6.916 486 2HD2 LEU 63 HD22 LEU 63 -4.659 3.213 -7.635 487 3HD2 LEU 63 HD23 LEU 63 -3.560 1.921 -8.117 488 H VAL 64 HN VAL 64 -6.218 -0.801 -3.386 489 HA VAL 64 HA VAL 64 -8.728 -0.501 -4.704 490 HB VAL 64 HB VAL 64 -7.834 -0.386 -1.823 491 1HG1 VAL 64 HG11 VAL 64 -10.308 -0.796 -1.427 492 2HG1 VAL 64 HG12 VAL 64 -10.562 -0.282 -3.094 493 3HG1 VAL 64 HG13 VAL 64 -9.878 0.842 -1.919 494 1HG2 VAL 64 HG21 VAL 64 -8.067 -2.476 -3.621 495 2HG2 VAL 64 HG22 VAL 64 -9.611 -2.509 -2.770 496 3HG2 VAL 64 HG23 VAL 64 -8.103 -2.626 -1.864 497 H ALA 65 HN ALA 65 -6.791 1.845 -2.705 498 HA ALA 65 HA ALA 65 -8.111 3.975 -4.319 499 1HB ALA 65 HB1 ALA 65 -8.815 3.364 -1.577 500 2HB ALA 65 HB2 ALA 65 -9.549 4.528 -2.681 501 3HB ALA 65 HB3 ALA 65 -8.160 4.998 -1.701 502 H LYS 66 HN LYS 66 -6.561 5.570 -4.826 503 HA LYS 66 HA LYS 66 -4.026 5.388 -3.330 504 1HB LYS 66 HB2 LYS 66 -4.424 7.160 -5.683 505 2HB LYS 66 HB1 LYS 66 -2.989 6.258 -5.196 506 1HG LYS 66 HG2 LYS 66 -3.685 4.909 -6.864 507 2HG LYS 66 HG1 LYS 66 -4.661 4.216 -5.599 508 1HD LYS 66 HD2 LYS 66 -6.454 4.659 -6.896 509 2HD LYS 66 HD1 LYS 66 -6.174 6.362 -6.533 510 1HE LYS 66 HE2 LYS 66 -5.160 6.774 -8.562 511 2HE LYS 66 HE1 LYS 66 -4.538 5.130 -8.704 512 1HZ LYS 66 HZ1 LYS 66 -7.417 5.322 -8.706 513 2HZ LYS 66 HZ2 LYS 66 -6.384 4.435 -9.723 514 3HZ LYS 66 HZ3 LYS 66 -6.675 6.081 -10.030 515 H GLU 67 HN GLU 67 -2.919 7.370 -2.809 516 HA GLU 67 HA GLU 67 -4.659 9.720 -2.353 517 1HB GLU 67 HB2 GLU 67 -3.321 8.039 -0.347 518 2HB GLU 67 HB1 GLU 67 -3.286 9.758 -0.075 519 1HG GLU 67 HG2 GLU 67 -5.921 8.886 -0.920 520 2HG GLU 67 HG1 GLU 67 -5.396 8.023 0.527 521 H THR 68 HN THR 68 -3.609 11.294 -3.460 522 HA THR 68 HA THR 68 -0.681 11.660 -2.974 523 HB THR 68 HB THR 68 -0.325 12.150 -5.344 524 HG1 THR 68 HG1 THR 68 -2.000 11.977 -6.794 525 1HG2 THR 68 HG21 THR 68 -1.859 9.593 -5.486 526 2HG2 THR 68 HG22 THR 68 -0.530 9.691 -4.331 527 3HG2 THR 68 HG23 THR 68 -0.228 9.956 -6.048 528 H ASP 69 HN ASP 69 -3.137 12.910 -1.914 529 HA ASP 69 HA ASP 69 -3.384 15.504 -3.231 530 1HB ASP 69 HB2 ASP 69 -4.325 14.661 -0.487 531 2HB ASP 69 HB1 ASP 69 -4.895 16.059 -1.402 532 H GLY 70 HN GLY 70 -0.925 14.299 -1.585 533 1HA GLY 70 HA2 GLY 70 0.847 16.109 -1.251 534 2HA GLY 70 HA1 GLY 70 -0.296 16.757 -0.105 535 H LEU 71 HN LEU 71 2.357 15.162 -0.225 536 HA LEU 71 HA LEU 71 2.425 12.807 1.084 537 1HB LEU 71 HB2 LEU 71 4.072 15.232 1.819 538 2HB LEU 71 HB1 LEU 71 4.423 13.601 2.351 539 HG LEU 71 HG LEU 71 4.006 13.998 -0.538 540 1HD1 LEU 71 HD11 LEU 71 6.011 15.067 -0.966 541 2HD1 LEU 71 HD12 LEU 71 6.752 14.478 0.522 542 3HD1 LEU 71 HD13 LEU 71 5.609 15.821 0.577 543 1HD2 LEU 71 HD21 LEU 71 4.444 11.774 0.169 544 2HD2 LEU 71 HD22 LEU 71 5.726 12.298 1.260 545 3HD2 LEU 71 HD23 LEU 71 5.978 12.350 -0.483 546 HA PRO 72 HA PRO 72 3.342 11.756 2.484 547 1HB PRO 72 HB2 PRO 72 2.413 9.676 3.982 548 2HB PRO 72 HB1 PRO 72 3.627 10.820 4.590 549 1HG PRO 72 HG2 PRO 72 0.728 10.633 5.229 550 2HG PRO 72 HG1 PRO 72 2.053 11.210 6.256 551 1HD PRO 72 HD2 PRO 72 0.216 12.851 4.870 552 2HD PRO 72 HD1 PRO 72 1.773 13.390 5.542 553 H TYR 73 HN TYR 73 2.800 10.191 0.950 554 HA TYR 73 HA TYR 73 0.198 10.242 -0.236 555 1HB TYR 73 HB2 TYR 73 2.144 8.050 -0.693 556 2HB TYR 73 HB1 TYR 73 1.033 8.780 -1.845 557 HD1 TYR 73 HD1 TYR 73 4.290 8.730 -0.505 558 HD2 TYR 73 HD2 TYR 73 1.474 11.246 -2.500 559 HE1 TYR 73 HE1 TYR 73 6.162 10.127 -1.325 560 HE2 TYR 73 HE2 TYR 73 3.306 12.705 -3.287 561 HH TYR 73 HH TYR 73 5.767 12.473 -3.744 562 H ARG 74 HN ARG 74 -1.201 8.270 -0.525 563 HA ARG 74 HA ARG 74 -0.669 6.111 1.361 564 1HB ARG 74 HB2 ARG 74 -3.013 7.970 1.561 565 2HB ARG 74 HB1 ARG 74 -3.175 6.273 2.028 566 1HG ARG 74 HG2 ARG 74 -1.772 6.457 3.792 567 2HG ARG 74 HG1 ARG 74 -0.810 7.704 3.041 568 1HD ARG 74 HD2 ARG 74 -2.067 8.661 4.918 569 2HD ARG 74 HD1 ARG 74 -2.667 9.326 3.399 570 HE ARG 74 HE ARG 74 -4.442 7.396 3.647 571 1HH1 ARG 74 HH11 ARG 74 -3.739 6.521 6.342 572 2HH1 ARG 74 HH12 ARG 74 -4.707 7.531 7.363 573 1HH2 ARG 74 HH21 ARG 74 -5.356 9.868 4.885 574 2HH2 ARG 74 HH22 ARG 74 -5.622 9.426 6.539 575 H TYR 75 HN TYR 75 -1.844 4.234 0.805 576 HA TYR 75 HA TYR 75 -3.404 4.336 -1.664 577 1HB TYR 75 HB2 TYR 75 -1.203 2.369 -1.670 578 2HB TYR 75 HB1 TYR 75 -1.997 3.176 -3.025 579 HD1 TYR 75 HD1 TYR 75 -1.529 5.742 -3.284 580 HD2 TYR 75 HD2 TYR 75 0.769 3.101 -0.878 581 HE1 TYR 75 HE1 TYR 75 0.380 7.322 -3.418 582 HE2 TYR 75 HE2 TYR 75 2.709 4.665 -0.975 583 HH TYR 75 HH TYR 75 3.444 6.620 -1.725 584 H LEU 76 HN LEU 76 -5.085 2.901 -1.325 585 HA LEU 76 HA LEU 76 -4.715 0.955 0.759 586 1HB LEU 76 HB2 LEU 76 -6.900 2.072 0.614 587 2HB LEU 76 HB1 LEU 76 -7.119 1.442 -1.002 588 HG LEU 76 HG LEU 76 -6.698 -0.863 0.046 589 1HD1 LEU 76 HD11 LEU 76 -7.065 -1.096 2.382 590 2HD1 LEU 76 HD12 LEU 76 -7.581 0.584 2.538 591 3HD1 LEU 76 HD13 LEU 76 -5.890 0.207 2.210 592 1HD2 LEU 76 HD21 LEU 76 -9.207 -0.137 1.187 593 2HD2 LEU 76 HD22 LEU 76 -8.876 -1.014 -0.306 594 3HD2 LEU 76 HD23 LEU 76 -8.970 0.748 -0.319 595 H ILE 77 HN ILE 77 -4.869 -1.398 0.178 596 HA ILE 77 HA ILE 77 -4.912 -1.917 -2.719 597 HB ILE 77 HB ILE 77 -2.735 -2.924 -0.881 598 1HG1 ILE 77 HG12 ILE 77 -2.935 -0.556 -2.726 599 2HG1 ILE 77 HG11 ILE 77 -2.306 -0.623 -1.086 600 1HG2 ILE 77 HG21 ILE 77 -3.601 -4.074 -3.167 601 2HG2 ILE 77 HG22 ILE 77 -1.908 -4.086 -2.687 602 3HG2 ILE 77 HG23 ILE 77 -2.485 -2.892 -3.849 603 1HD1 ILE 77 HD11 ILE 77 -0.307 -1.718 -1.790 604 2HD1 ILE 77 HD12 ILE 77 -0.561 -0.395 -2.927 605 3HD1 ILE 77 HD13 ILE 77 -0.964 -2.045 -3.395 606 H ARG 78 HN ARG 78 -6.617 -3.333 -2.841 607 HA ARG 78 HA ARG 78 -7.251 -5.111 -0.632 608 1HB ARG 78 HB2 ARG 78 -9.027 -4.391 -2.133 609 2HB ARG 78 HB1 ARG 78 -8.188 -5.093 -3.515 610 1HG ARG 78 HG2 ARG 78 -8.307 -7.292 -2.009 611 2HG ARG 78 HG1 ARG 78 -9.694 -6.451 -1.318 612 1HD ARG 78 HD2 ARG 78 -10.937 -6.665 -3.218 613 2HD ARG 78 HD1 ARG 78 -9.545 -6.421 -4.274 614 HE ARG 78 HE ARG 78 -9.567 -8.995 -2.861 615 1HH1 ARG 78 HH11 ARG 78 -8.803 -7.672 -5.742 616 2HH1 ARG 78 HH12 ARG 78 -9.629 -8.821 -6.741 617 1HH2 ARG 78 HH21 ARG 78 -11.348 -10.276 -4.104 618 2HH2 ARG 78 HH22 ARG 78 -11.070 -10.296 -5.814 619 H LYS 79 HN LYS 79 -5.927 -6.799 -0.132 620 HA LYS 79 HA LYS 79 -4.023 -7.957 -1.943 621 1HB LYS 79 HB2 LYS 79 -4.029 -8.084 0.617 622 2HB LYS 79 HB1 LYS 79 -5.225 -9.368 0.445 623 1HG LYS 79 HG2 LYS 79 -2.794 -9.600 -1.248 624 2HG LYS 79 HG1 LYS 79 -2.564 -9.844 0.483 625 1HD LYS 79 HD2 LYS 79 -4.906 -11.253 -0.115 626 2HD LYS 79 HD1 LYS 79 -3.824 -11.598 -1.465 627 1HE LYS 79 HE2 LYS 79 -2.515 -11.672 1.173 628 2HE LYS 79 HE1 LYS 79 -3.759 -12.902 0.950 629 1HZ LYS 79 HZ1 LYS 79 -1.198 -12.595 -0.374 630 2HZ LYS 79 HZ2 LYS 79 -2.490 -13.034 -1.387 631 3HZ LYS 79 HZ3 LYS 79 -2.090 -13.999 -0.047 632 H GLY 80 HN GLY 80 -4.524 -9.182 -3.673 633 1HA GLY 80 HA2 GLY 80 -6.846 -11.040 -3.453 634 2HA GLY 80 HA1 GLY 80 -6.693 -9.989 -4.862 635 H GLY 81 HN GLY 81 -6.715 -12.295 -5.830 636 1HA GLY 81 HA2 GLY 81 -3.877 -13.155 -6.154 637 2HA GLY 81 HA1 GLY 81 -5.146 -14.357 -5.917 Start of MODEL 18 1 1H MET 1 HT1 MET 1 -21.609 6.840 1.169 2 2H MET 1 HT2 MET 1 -20.213 7.793 1.000 3 3H MET 1 HT3 MET 1 -21.643 8.476 1.613 4 HA MET 1 HA MET 1 -20.240 8.122 3.463 5 1HB MET 1 HB2 MET 1 -22.517 6.213 3.068 6 2HB MET 1 HB1 MET 1 -21.520 6.051 4.514 7 1HG MET 1 HG2 MET 1 -21.947 8.376 5.118 8 2HG MET 1 HG1 MET 1 -22.854 8.625 3.625 9 1HE MET 1 HE1 MET 1 -25.056 8.669 3.483 10 2HE MET 1 HE2 MET 1 -25.032 9.502 5.033 11 3HE MET 1 HE3 MET 1 -26.239 8.255 4.730 12 H THR 2 HN THR 2 -20.397 5.332 1.303 13 HA THR 2 HA THR 2 -18.468 3.764 2.806 14 HB THR 2 HB THR 2 -20.150 2.803 1.187 15 HG1 THR 2 HG1 THR 2 -17.956 1.905 1.815 16 1HG2 THR 2 HG21 THR 2 -20.124 3.311 -1.028 17 2HG2 THR 2 HG22 THR 2 -18.361 3.333 -1.097 18 3HG2 THR 2 HG23 THR 2 -19.238 4.745 -0.508 19 H ASP 3 HN ASP 3 -16.381 4.423 2.987 20 HA ASP 3 HA ASP 3 -15.174 5.960 0.739 21 1HB ASP 3 HB2 ASP 3 -15.083 6.331 3.498 22 2HB ASP 3 HB1 ASP 3 -13.515 5.617 3.120 23 H LEU 4 HN LEU 4 -13.324 5.197 -0.315 24 HA LEU 4 HA LEU 4 -12.931 2.359 -0.411 25 1HB LEU 4 HB2 LEU 4 -11.285 4.683 -1.441 26 2HB LEU 4 HB1 LEU 4 -10.850 2.999 -1.739 27 HG LEU 4 HG LEU 4 -13.594 4.078 -2.396 28 1HD1 LEU 4 HD11 LEU 4 -11.704 5.331 -3.576 29 2HD1 LEU 4 HD12 LEU 4 -12.874 4.536 -4.630 30 3HD1 LEU 4 HD13 LEU 4 -11.298 3.797 -4.347 31 1HD2 LEU 4 HD21 LEU 4 -13.938 2.043 -3.404 32 2HD2 LEU 4 HD22 LEU 4 -12.720 1.525 -2.238 33 3HD2 LEU 4 HD23 LEU 4 -12.253 1.888 -3.900 34 H PHE 5 HN PHE 5 -11.217 4.964 1.279 35 HA PHE 5 HA PHE 5 -9.208 3.083 2.314 36 1HB PHE 5 HB2 PHE 5 -9.653 6.031 2.426 37 2HB PHE 5 HB1 PHE 5 -8.713 5.296 3.725 38 HD1 PHE 5 HD1 PHE 5 -6.724 6.580 2.892 39 HD2 PHE 5 HD2 PHE 5 -8.690 3.623 0.491 40 HE1 PHE 5 HE1 PHE 5 -4.764 6.445 1.390 41 HE2 PHE 5 HE2 PHE 5 -6.701 3.515 -0.977 42 HZ PHE 5 HZ PHE 5 -4.742 4.980 -0.561 43 H SER 6 HN SER 6 -12.262 3.136 2.990 44 HA SER 6 HA SER 6 -12.753 3.811 5.646 45 1HB SER 6 HB2 SER 6 -13.621 1.321 4.150 46 2HB SER 6 HB1 SER 6 -14.288 1.815 5.704 47 HG SER 6 HG SER 6 -15.255 2.533 3.512 48 H SER 7 HN SER 7 -12.925 2.047 7.503 49 HA SER 7 HA SER 7 -10.379 1.404 8.419 50 1HB SER 7 HB2 SER 7 -11.672 -0.565 9.623 51 2HB SER 7 HB1 SER 7 -12.019 1.111 10.039 52 HG SER 7 HG SER 7 -13.712 -0.662 9.187 53 HA PRO 8 HA PRO 8 -9.519 -1.710 5.259 54 1HB PRO 8 HB2 PRO 8 -6.796 -1.554 5.566 55 2HB PRO 8 HB1 PRO 8 -7.735 -0.440 4.562 56 1HG PRO 8 HG2 PRO 8 -6.522 0.030 7.249 57 2HG PRO 8 HG1 PRO 8 -6.862 1.188 5.953 58 1HD PRO 8 HD2 PRO 8 -8.421 0.822 8.272 59 2HD PRO 8 HD1 PRO 8 -8.931 1.683 6.806 60 H ASP 9 HN ASP 9 -8.275 -3.817 5.406 61 HA ASP 9 HA ASP 9 -8.736 -5.050 8.012 62 1HB ASP 9 HB2 ASP 9 -7.434 -6.169 5.508 63 2HB ASP 9 HB1 ASP 9 -7.951 -7.111 6.907 64 H HIS 10 HN HIS 10 -6.053 -3.629 6.339 65 HA HIS 10 HA HIS 10 -4.326 -4.185 8.682 66 1HB HIS 10 HB2 HIS 10 -3.813 -5.063 5.848 67 2HB HIS 10 HB1 HIS 10 -2.471 -4.712 6.930 68 HD1 HIS 10 HD1 HIS 10 -1.744 -6.629 8.368 69 HD2 HIS 10 HD2 HIS 10 -5.699 -7.047 7.117 70 HE1 HIS 10 HE1 HIS 10 -2.535 -8.875 9.233 71 H THR 11 HN THR 11 -2.118 -2.916 8.248 72 HA THR 11 HA THR 11 -2.576 -0.501 6.595 73 HB THR 11 HB THR 11 -1.819 -0.382 9.514 74 HG1 THR 11 HG1 THR 11 -4.205 0.541 8.325 75 1HG2 THR 11 HG21 THR 11 -2.158 1.652 7.327 76 2HG2 THR 11 HG22 THR 11 -0.851 1.498 8.502 77 3HG2 THR 11 HG23 THR 11 -2.426 2.111 9.008 78 H LEU 12 HN LEU 12 -0.548 0.748 6.346 79 HA LEU 12 HA LEU 12 1.946 -0.661 7.139 80 1HB LEU 12 HB2 LEU 12 1.602 -1.629 4.971 81 2HB LEU 12 HB1 LEU 12 1.108 -0.080 4.294 82 HG LEU 12 HG LEU 12 3.348 0.790 4.315 83 1HD1 LEU 12 HD11 LEU 12 3.795 -1.397 6.349 84 2HD1 LEU 12 HD12 LEU 12 4.152 0.323 6.474 85 3HD1 LEU 12 HD13 LEU 12 5.157 -0.712 5.466 86 1HD2 LEU 12 HD21 LEU 12 3.275 -0.762 2.540 87 2HD2 LEU 12 HD22 LEU 12 3.273 -2.152 3.626 88 3HD2 LEU 12 HD23 LEU 12 4.740 -1.199 3.416 89 H ASP 13 HN ASP 13 3.037 1.012 8.147 90 HA ASP 13 HA ASP 13 2.661 3.772 7.197 91 1HB ASP 13 HB2 ASP 13 3.090 3.090 9.647 92 2HB ASP 13 HB1 ASP 13 4.761 2.803 9.158 93 H ALA 14 HN ALA 14 4.231 4.904 5.897 94 HA ALA 14 HA ALA 14 6.719 3.420 5.306 95 1HB ALA 14 HB1 ALA 14 4.591 3.070 3.633 96 2HB ALA 14 HB2 ALA 14 6.281 2.867 3.178 97 3HB ALA 14 HB3 ALA 14 5.457 4.392 2.850 98 H LEU 15 HN LEU 15 5.643 5.858 6.545 99 HA LEU 15 HA LEU 15 6.809 8.096 5.112 100 1HB LEU 15 HB2 LEU 15 6.142 8.180 8.009 101 2HB LEU 15 HB1 LEU 15 5.887 9.372 6.747 102 HG LEU 15 HG LEU 15 4.290 6.848 7.177 103 1HD1 LEU 15 HD11 LEU 15 2.563 8.198 7.893 104 2HD1 LEU 15 HD12 LEU 15 3.151 9.603 7.004 105 3HD1 LEU 15 HD13 LEU 15 3.945 9.109 8.500 106 1HD2 LEU 15 HD21 LEU 15 3.597 8.889 5.107 107 2HD2 LEU 15 HD22 LEU 15 3.263 7.160 5.132 108 3HD2 LEU 15 HD23 LEU 15 4.875 7.739 4.727 109 H GLY 16 HN GLY 16 8.929 7.949 4.965 110 1HA GLY 16 HA2 GLY 16 11.131 8.276 5.975 111 2HA GLY 16 HA1 GLY 16 10.524 7.485 7.439 112 H LEU 17 HN LEU 17 9.165 5.752 5.071 113 HA LEU 17 HA LEU 17 11.231 3.647 5.143 114 1HB LEU 17 HB2 LEU 17 8.355 3.686 4.174 115 2HB LEU 17 HB1 LEU 17 9.416 2.287 4.053 116 HG LEU 17 HG LEU 17 8.124 3.491 6.450 117 1HD1 LEU 17 HD11 LEU 17 8.945 0.665 5.719 118 2HD1 LEU 17 HD12 LEU 17 7.404 1.384 5.253 119 3HD1 LEU 17 HD13 LEU 17 7.786 1.141 6.959 120 1HD2 LEU 17 HD21 LEU 17 10.455 3.704 7.054 121 2HD2 LEU 17 HD22 LEU 17 10.801 2.085 6.444 122 3HD2 LEU 17 HD23 LEU 17 9.797 2.291 7.880 123 H ARG 18 HN ARG 18 12.058 2.835 3.167 124 HA ARG 18 HA ARG 18 11.137 4.276 0.753 125 1HB ARG 18 HB2 ARG 18 13.633 4.590 0.148 126 2HB ARG 18 HB1 ARG 18 12.864 5.691 1.293 127 1HG ARG 18 HG2 ARG 18 13.969 3.321 2.599 128 2HG ARG 18 HG1 ARG 18 15.201 4.265 1.760 129 1HD ARG 18 HD2 ARG 18 13.184 5.431 3.701 130 2HD ARG 18 HD1 ARG 18 14.843 5.007 4.124 131 HE ARG 18 HE ARG 18 14.020 7.370 2.657 132 1HH1 ARG 18 HH21 ARG 18 16.569 5.809 4.135 133 2HH1 ARG 18 HH22 ARG 18 17.807 6.471 3.121 134 1HH2 ARG 18 HH11 ARG 18 15.579 7.888 0.874 135 2HH2 ARG 18 HH12 ARG 18 17.247 7.647 1.275 136 H CYS 19 HN CYS 19 11.524 3.131 -1.149 137 HA CYS 19 HA CYS 19 11.368 0.347 -1.051 138 1HB CYS 19 HB2 CYS 19 10.914 1.415 -3.116 139 2HB CYS 19 HB1 CYS 19 12.517 2.139 -3.192 140 HG CYS 19 HG CYS 19 12.908 -0.808 -3.135 141 HA PRO 20 HA PRO 20 11.771 -1.427 -1.744 142 1HB PRO 20 HB2 PRO 20 12.660 -3.841 -0.831 143 2HB PRO 20 HB1 PRO 20 13.156 -3.167 -2.393 144 1HG PRO 20 HG2 PRO 20 14.724 -3.406 0.123 145 2HG PRO 20 HG1 PRO 20 15.299 -3.295 -1.544 146 1HD PRO 20 HD2 PRO 20 15.219 -1.196 0.390 147 2HD PRO 20 HD1 PRO 20 15.638 -1.048 -1.331 148 H GLU 21 HN GLU 21 12.925 -0.519 1.234 149 HA GLU 21 HA GLU 21 11.908 -2.268 3.131 150 1HB GLU 21 HB2 GLU 21 12.225 0.677 3.180 151 2HB GLU 21 HB1 GLU 21 11.591 -0.170 4.582 152 1HG GLU 21 HG2 GLU 21 13.597 -1.581 4.658 153 2HG GLU 21 HG1 GLU 21 14.227 -0.789 3.213 154 HA PRO 22 HA PRO 22 7.674 -0.126 3.227 155 1HB PRO 22 HB2 PRO 22 7.000 1.220 0.929 156 2HB PRO 22 HB1 PRO 22 7.700 1.994 2.342 157 1HG PRO 22 HG2 PRO 22 8.989 1.314 -0.255 158 2HG PRO 22 HG1 PRO 22 9.379 2.615 0.884 159 1HD PRO 22 HD2 PRO 22 10.805 0.232 0.635 160 2HD PRO 22 HD1 PRO 22 10.877 1.300 2.042 161 H VAL 23 HN VAL 23 8.407 -0.605 -0.205 162 HA VAL 23 HA VAL 23 6.268 -2.255 -0.942 163 HB VAL 23 HB VAL 23 9.199 -2.352 -1.685 164 1HG1 VAL 23 HG11 VAL 23 8.564 -4.546 -2.205 165 2HG1 VAL 23 HG12 VAL 23 8.212 -3.698 -3.711 166 3HG1 VAL 23 HG13 VAL 23 6.907 -4.080 -2.588 167 1HG2 VAL 23 HG21 VAL 23 7.549 -0.423 -2.319 168 2HG2 VAL 23 HG22 VAL 23 6.888 -1.591 -3.462 169 3HG2 VAL 23 HG23 VAL 23 8.578 -1.104 -3.579 170 H MET 24 HN MET 24 9.033 -2.913 1.117 171 HA MET 24 HA MET 24 8.735 -5.810 1.073 172 1HB MET 24 HB2 MET 24 10.267 -3.852 2.760 173 2HB MET 24 HB1 MET 24 10.132 -5.533 3.275 174 1HG MET 24 HG2 MET 24 10.754 -5.519 0.489 175 2HG MET 24 HG1 MET 24 11.878 -4.428 1.300 176 1HE MET 24 HE1 MET 24 13.338 -6.365 4.121 177 2HE MET 24 HE2 MET 24 11.601 -6.411 4.409 178 3HE MET 24 HE3 MET 24 12.336 -4.958 3.736 179 H MET 25 HN MET 25 7.669 -3.232 3.291 180 HA MET 25 HA MET 25 6.533 -4.946 5.259 181 1HB MET 25 HB2 MET 25 6.045 -2.099 4.421 182 2HB MET 25 HB1 MET 25 4.960 -2.861 5.584 183 1HG MET 25 HG2 MET 25 7.600 -3.522 6.383 184 2HG MET 25 HG1 MET 25 7.597 -1.795 6.023 185 1HE MET 25 HE1 MET 25 8.268 -2.631 8.844 186 2HE MET 25 HE2 MET 25 7.419 -4.161 8.645 187 3HE MET 25 HE3 MET 25 6.958 -3.071 9.949 188 H VAL 26 HN VAL 26 5.129 -3.519 2.306 189 HA VAL 26 HA VAL 26 2.496 -4.577 2.702 190 HB VAL 26 HB VAL 26 4.015 -3.924 0.166 191 1HG1 VAL 26 HG11 VAL 26 1.111 -3.895 -0.038 192 2HG1 VAL 26 HG12 VAL 26 1.693 -5.499 0.397 193 3HG1 VAL 26 HG13 VAL 26 2.284 -4.715 -1.065 194 1HG2 VAL 26 HG21 VAL 26 3.593 -1.859 1.054 195 2HG2 VAL 26 HG22 VAL 26 2.303 -2.467 2.089 196 3HG2 VAL 26 HG23 VAL 26 1.985 -2.139 0.386 197 H ARG 27 HN ARG 27 5.468 -5.986 1.474 198 HA ARG 27 HA ARG 27 4.261 -8.325 0.296 199 1HB ARG 27 HB2 ARG 27 6.901 -7.335 0.644 200 2HB ARG 27 HB1 ARG 27 6.841 -8.946 1.373 201 1HG ARG 27 HG2 ARG 27 5.396 -8.959 -1.120 202 2HG ARG 27 HG1 ARG 27 7.024 -8.333 -1.379 203 1HD ARG 27 HD2 ARG 27 8.006 -10.276 -0.351 204 2HD ARG 27 HD1 ARG 27 6.427 -10.858 0.174 205 HE ARG 27 HE ARG 27 6.543 -10.548 -2.705 206 1HH1 ARG 27 HH21 ARG 27 5.116 -12.783 -1.368 207 2HH1 ARG 27 HH22 ARG 27 6.145 -14.138 -1.691 208 1HH2 ARG 27 HH11 ARG 27 8.881 -12.190 -2.556 209 2HH2 ARG 27 HH12 ARG 27 8.276 -13.803 -2.365 210 H LYS 28 HN LYS 28 5.976 -7.938 3.368 211 HA LYS 28 HA LYS 28 5.376 -10.497 4.436 212 1HB LYS 28 HB2 LYS 28 5.712 -7.880 5.941 213 2HB LYS 28 HB1 LYS 28 5.829 -9.493 6.648 214 1HG LYS 28 HG2 LYS 28 7.577 -9.699 4.549 215 2HG LYS 28 HG1 LYS 28 7.788 -8.010 5.014 216 1HD LYS 28 HD2 LYS 28 7.646 -9.800 7.325 217 2HD LYS 28 HD1 LYS 28 8.991 -10.184 6.251 218 1HE LYS 28 HE2 LYS 28 9.738 -8.537 7.880 219 2HE LYS 28 HE1 LYS 28 9.649 -7.767 6.295 220 1HZ LYS 28 HZ1 LYS 28 8.037 -7.322 8.665 221 2HZ LYS 28 HZ2 LYS 28 7.183 -7.347 7.196 222 3HZ LYS 28 HZ3 LYS 28 8.460 -6.249 7.421 223 H THR 29 HN THR 29 3.595 -7.508 4.371 224 HA THR 29 HA THR 29 1.400 -8.320 6.069 225 HB THR 29 HB THR 29 2.090 -6.142 4.181 226 HG1 THR 29 HG1 THR 29 1.305 -4.931 6.019 227 1HG2 THR 29 HG21 THR 29 -0.761 -6.483 5.120 228 2HG2 THR 29 HG22 THR 29 -0.213 -6.829 3.478 229 3HG2 THR 29 HG23 THR 29 -0.120 -5.187 4.110 230 H VAL 30 HN VAL 30 2.258 -8.458 2.720 231 HA VAL 30 HA VAL 30 -0.274 -9.393 1.683 232 HB VAL 30 HB VAL 30 2.594 -9.341 0.727 233 1HG1 VAL 30 HG11 VAL 30 1.567 -11.426 -0.085 234 2HG1 VAL 30 HG12 VAL 30 1.903 -10.291 -1.393 235 3HG1 VAL 30 HG13 VAL 30 0.255 -10.483 -0.791 236 1HG2 VAL 30 HG21 VAL 30 0.758 -7.384 0.673 237 2HG2 VAL 30 HG22 VAL 30 0.312 -8.209 -0.819 238 3HG2 VAL 30 HG23 VAL 30 1.948 -7.583 -0.614 239 H ARG 31 HN ARG 31 2.491 -10.741 3.243 240 HA ARG 31 HA ARG 31 1.950 -13.520 2.549 241 1HB ARG 31 HB2 ARG 31 3.731 -12.306 4.686 242 2HB ARG 31 HB1 ARG 31 3.727 -14.004 4.209 243 1HG ARG 31 HG2 ARG 31 4.248 -13.196 1.835 244 2HG ARG 31 HG1 ARG 31 4.560 -11.620 2.547 245 1HD ARG 31 HD2 ARG 31 6.664 -12.810 2.376 246 2HD ARG 31 HD1 ARG 31 6.222 -12.685 4.079 247 HE ARG 31 HE ARG 31 5.525 -15.058 3.987 248 1HH1 ARG 31 HH21 ARG 31 8.414 -14.493 2.776 249 2HH1 ARG 31 HH22 ARG 31 8.421 -15.706 1.539 250 1HH2 ARG 31 HH11 ARG 31 5.015 -16.319 1.747 251 2HH2 ARG 31 HH12 ARG 31 6.498 -16.739 0.957 252 H ASN 32 HN ASN 32 1.214 -11.247 5.152 253 HA ASN 32 HA ASN 32 -0.155 -13.466 6.617 254 1HB ASN 32 HB2 ASN 32 -0.372 -11.790 8.472 255 2HB ASN 32 HB1 ASN 32 1.297 -12.154 8.041 256 1HD2 ASN 32 HD21 ASN 32 -1.279 -9.809 7.062 257 2HD2 ASN 32 HD22 ASN 32 -0.223 -8.489 6.934 258 H MET 33 HN MET 33 -0.887 -11.361 4.234 259 HA MET 33 HA MET 33 -3.522 -10.532 5.272 260 1HB MET 33 HB2 MET 33 -1.904 -9.928 2.841 261 2HB MET 33 HB1 MET 33 -3.657 -9.827 2.690 262 1HG MET 33 HG2 MET 33 -3.386 -8.485 4.984 263 2HG MET 33 HG1 MET 33 -1.800 -8.150 4.311 264 1HE MET 33 HE1 MET 33 -5.463 -8.461 3.620 265 2HE MET 33 HE2 MET 33 -5.004 -8.780 1.951 266 3HE MET 33 HE3 MET 33 -5.850 -7.290 2.354 267 H GLN 34 HN GLN 34 -5.285 -10.846 3.382 268 HA GLN 34 HA GLN 34 -5.196 -13.670 2.435 269 1HB GLN 34 HB2 GLN 34 -7.407 -12.338 4.029 270 2HB GLN 34 HB1 GLN 34 -7.638 -13.833 3.122 271 1HG GLN 34 HG2 GLN 34 -5.266 -14.164 4.642 272 2HG GLN 34 HG1 GLN 34 -6.475 -13.483 5.730 273 1HE2 GLN 34 HE21 GLN 34 -5.606 -16.325 3.861 274 2HE2 GLN 34 HE22 GLN 34 -6.892 -17.298 4.386 275 HA PRO 35 HA PRO 35 -6.722 -11.867 -1.244 276 1HB PRO 35 HB2 PRO 35 -8.216 -13.968 -2.244 277 2HB PRO 35 HB1 PRO 35 -6.447 -13.892 -2.310 278 1HG PRO 35 HG2 PRO 35 -8.195 -15.494 -0.481 279 2HG PRO 35 HG1 PRO 35 -6.572 -15.864 -1.092 280 1HD PRO 35 HD2 PRO 35 -7.123 -14.902 1.480 281 2HD PRO 35 HD1 PRO 35 -5.539 -14.800 0.676 282 H GLY 36 HN GLY 36 -8.358 -10.443 -1.501 283 1HA GLY 36 HA2 GLY 36 -10.655 -9.751 -1.630 284 2HA GLY 36 HA1 GLY 36 -11.092 -11.121 -0.598 285 H GLU 37 HN GLU 37 -8.274 -9.245 0.205 286 HA GLU 37 HA GLU 37 -9.806 -8.056 2.493 287 1HB GLU 37 HB2 GLU 37 -7.107 -9.331 2.315 288 2HB GLU 37 HB1 GLU 37 -7.349 -8.036 3.477 289 1HG GLU 37 HG2 GLU 37 -9.577 -9.483 3.963 290 2HG GLU 37 HG1 GLU 37 -8.497 -10.774 3.436 291 H THR 38 HN THR 38 -8.159 -6.175 3.442 292 HA THR 38 HA THR 38 -7.175 -4.592 1.138 293 HB THR 38 HB THR 38 -8.380 -2.587 2.360 294 HG1 THR 38 HG1 THR 38 -9.702 -3.250 3.828 295 1HG2 THR 38 HG21 THR 38 -9.022 -4.384 0.196 296 2HG2 THR 38 HG22 THR 38 -9.336 -2.653 0.326 297 3HG2 THR 38 HG23 THR 38 -10.506 -3.811 0.959 298 H LEU 39 HN LEU 39 -5.482 -3.278 1.597 299 HA LEU 39 HA LEU 39 -4.584 -3.072 4.450 300 1HB LEU 39 HB2 LEU 39 -3.186 -4.742 3.411 301 2HB LEU 39 HB1 LEU 39 -2.975 -3.754 1.967 302 HG LEU 39 HG LEU 39 -2.027 -2.011 3.768 303 1HD1 LEU 39 HD11 LEU 39 -1.947 -4.698 5.067 304 2HD1 LEU 39 HD12 LEU 39 -2.165 -3.106 5.791 305 3HD1 LEU 39 HD13 LEU 39 -0.561 -3.628 5.282 306 1HD2 LEU 39 HD21 LEU 39 0.260 -3.187 3.368 307 2HD2 LEU 39 HD22 LEU 39 -0.645 -2.631 1.960 308 3HD2 LEU 39 HD23 LEU 39 -0.673 -4.336 2.408 309 H LEU 40 HN LEU 40 -4.542 -0.894 4.933 310 HA LEU 40 HA LEU 40 -4.344 1.078 2.754 311 1HB LEU 40 HB2 LEU 40 -5.944 1.672 4.422 312 2HB LEU 40 HB1 LEU 40 -4.830 1.289 5.735 313 HG LEU 40 HG LEU 40 -3.352 3.150 4.970 314 1HD1 LEU 40 HD11 LEU 40 -4.819 2.958 2.633 315 2HD1 LEU 40 HD12 LEU 40 -3.736 4.287 3.047 316 3HD1 LEU 40 HD13 LEU 40 -5.463 4.422 3.375 317 1HD2 LEU 40 HD21 LEU 40 -4.708 3.843 6.736 318 2HD2 LEU 40 HD22 LEU 40 -6.196 3.593 5.824 319 3HD2 LEU 40 HD23 LEU 40 -5.179 4.992 5.484 320 H ILE 41 HN ILE 41 -2.576 2.582 2.628 321 HA ILE 41 HA ILE 41 -0.243 1.947 4.368 322 HB ILE 41 HB ILE 41 0.040 2.239 1.381 323 1HG1 ILE 41 HG12 ILE 41 -0.786 -0.166 3.003 324 2HG1 ILE 41 HG11 ILE 41 -1.412 0.400 1.463 325 1HG2 ILE 41 HG21 ILE 41 1.826 1.997 3.558 326 2HG2 ILE 41 HG22 ILE 41 2.220 1.923 1.842 327 3HG2 ILE 41 HG23 ILE 41 1.866 0.443 2.729 328 1HD1 ILE 41 HD11 ILE 41 1.019 -1.208 2.027 329 2HD1 ILE 41 HD12 ILE 41 1.094 -0.073 0.682 330 3HD1 ILE 41 HD13 ILE 41 -0.129 -1.346 0.698 331 H ILE 42 HN ILE 42 1.340 3.646 4.465 332 HA ILE 42 HA ILE 42 0.523 6.200 3.200 333 HB ILE 42 HB ILE 42 1.861 6.048 5.902 334 1HG1 ILE 42 HG12 ILE 42 -1.016 5.685 5.175 335 2HG1 ILE 42 HG11 ILE 42 -0.108 5.007 6.526 336 1HG2 ILE 42 HG21 ILE 42 1.146 8.343 6.070 337 2HG2 ILE 42 HG22 ILE 42 0.106 8.186 4.656 338 3HG2 ILE 42 HG23 ILE 42 1.855 8.154 4.472 339 1HD1 ILE 42 HD11 ILE 42 -1.377 6.576 7.647 340 2HD1 ILE 42 HD12 ILE 42 -1.417 7.677 6.269 341 3HD1 ILE 42 HD13 ILE 42 0.040 7.549 7.254 342 H ALA 43 HN ALA 43 2.456 7.572 2.892 343 HA ALA 43 HA ALA 43 5.067 6.351 3.236 344 1HB ALA 43 HB1 ALA 43 5.346 5.367 1.227 345 2HB ALA 43 HB2 ALA 43 4.776 6.809 0.387 346 3HB ALA 43 HB3 ALA 43 3.620 5.599 0.944 347 H ASP 44 HN ASP 44 6.462 7.996 3.423 348 HA ASP 44 HA ASP 44 5.633 10.596 2.248 349 1HB ASP 44 HB2 ASP 44 7.019 11.714 3.862 350 2HB ASP 44 HB1 ASP 44 6.021 10.574 4.751 351 H ASP 45 HN ASP 45 7.889 7.992 2.317 352 HA ASP 45 HA ASP 45 10.070 9.255 0.962 353 1HB ASP 45 HB2 ASP 45 10.502 7.148 1.831 354 2HB ASP 45 HB1 ASP 45 8.994 6.504 1.216 355 HA PRO 46 HA PRO 46 8.056 10.004 -2.898 356 1HB PRO 46 HB2 PRO 46 10.315 10.436 -4.405 357 2HB PRO 46 HB1 PRO 46 9.651 11.627 -3.271 358 1HG PRO 46 HG2 PRO 46 12.064 9.900 -2.985 359 2HG PRO 46 HG1 PRO 46 11.706 11.462 -2.229 360 1HD PRO 46 HD2 PRO 46 11.496 8.927 -0.985 361 2HD PRO 46 HD1 PRO 46 10.843 10.449 -0.362 362 H ALA 47 HN ALA 47 10.345 7.497 -2.408 363 HA ALA 47 HA ALA 47 9.888 6.285 -5.069 364 1HB ALA 47 HB1 ALA 47 11.965 6.161 -3.124 365 2HB ALA 47 HB2 ALA 47 11.920 5.388 -4.709 366 3HB ALA 47 HB3 ALA 47 11.305 4.535 -3.293 367 H THR 48 HN THR 48 8.228 6.326 -2.188 368 HA THR 48 HA THR 48 7.463 3.481 -2.208 369 HB THR 48 HB THR 48 5.748 4.409 -0.465 370 HG1 THR 48 HG1 THR 48 6.032 6.587 -1.029 371 1HG2 THR 48 HG21 THR 48 7.277 3.356 0.795 372 2HG2 THR 48 HG22 THR 48 8.118 4.896 0.947 373 3HG2 THR 48 HG23 THR 48 8.570 3.767 -0.330 374 H THR 49 HN THR 49 6.019 6.620 -3.031 375 HA THR 49 HA THR 49 3.404 5.726 -3.649 376 HB THR 49 HB THR 49 3.079 7.771 -4.679 377 HG1 THR 49 HG1 THR 49 4.317 8.453 -6.266 378 1HG2 THR 49 HG21 THR 49 4.129 9.329 -3.385 379 2HG2 THR 49 HG22 THR 49 5.735 8.684 -3.730 380 3HG2 THR 49 HG23 THR 49 4.707 7.899 -2.530 381 H ARG 50 HN ARG 50 6.405 5.529 -5.459 382 HA ARG 50 HA ARG 50 4.944 4.388 -7.781 383 1HB ARG 50 HB2 ARG 50 7.784 5.276 -7.334 384 2HB ARG 50 HB1 ARG 50 7.313 4.371 -8.773 385 1HG ARG 50 HG2 ARG 50 5.579 6.090 -9.257 386 2HG ARG 50 HG1 ARG 50 6.138 7.015 -7.863 387 1HD ARG 50 HD2 ARG 50 8.421 6.354 -9.446 388 2HD ARG 50 HD1 ARG 50 7.192 7.021 -10.520 389 HE ARG 50 HE ARG 50 8.177 8.446 -8.079 390 1HH1 ARG 50 HH21 ARG 50 5.870 8.692 -10.453 391 2HH1 ARG 50 HH22 ARG 50 6.379 10.233 -11.060 392 1HH2 ARG 50 HH11 ARG 50 9.317 10.284 -9.218 393 2HH2 ARG 50 HH12 ARG 50 8.331 11.134 -10.360 394 H ASP 51 HN ASP 51 7.364 3.376 -5.396 395 HA ASP 51 HA ASP 51 7.633 0.753 -6.660 396 1HB ASP 51 HB2 ASP 51 8.712 1.877 -4.065 397 2HB ASP 51 HB1 ASP 51 9.117 0.279 -4.700 398 H ILE 52 HN ILE 52 6.246 1.870 -3.545 399 HA ILE 52 HA ILE 52 5.555 -0.650 -2.544 400 HB ILE 52 HB ILE 52 4.505 2.094 -2.161 401 1HG1 ILE 52 HG12 ILE 52 5.542 -0.152 -0.438 402 2HG1 ILE 52 HG11 ILE 52 6.329 1.382 -0.810 403 1HG2 ILE 52 HG21 ILE 52 2.407 0.780 -2.339 404 2HG2 ILE 52 HG22 ILE 52 2.689 1.314 -0.683 405 3HG2 ILE 52 HG23 ILE 52 3.029 -0.356 -1.141 406 1HD1 ILE 52 HD11 ILE 52 4.479 0.773 1.316 407 2HD1 ILE 52 HD12 ILE 52 3.806 2.036 0.284 408 3HD1 ILE 52 HD13 ILE 52 5.387 2.258 1.033 409 HA PRO 53 HA PRO 53 1.455 -0.566 -4.885 410 1HB PRO 53 HB2 PRO 53 1.299 1.156 -7.019 411 2HB PRO 53 HB1 PRO 53 0.687 1.504 -5.393 412 1HG PRO 53 HG2 PRO 53 3.123 2.549 -6.758 413 2HG PRO 53 HG1 PRO 53 2.164 3.282 -5.460 414 1HD PRO 53 HD2 PRO 53 4.638 1.972 -5.134 415 2HD PRO 53 HD1 PRO 53 3.502 2.376 -3.828 416 H GLY 54 HN GLY 54 4.082 0.462 -7.093 417 1HA GLY 54 HA2 GLY 54 3.527 -1.320 -9.187 418 2HA GLY 54 HA1 GLY 54 5.175 -0.841 -8.740 419 H PHE 55 HN PHE 55 4.684 -1.951 -5.955 420 HA PHE 55 HA PHE 55 5.561 -4.671 -6.580 421 1HB PHE 55 HB2 PHE 55 6.627 -3.984 -4.647 422 2HB PHE 55 HB1 PHE 55 5.256 -3.014 -4.111 423 HD1 PHE 55 HD1 PHE 55 5.372 -6.612 -5.144 424 HD2 PHE 55 HD2 PHE 55 4.727 -3.810 -1.963 425 HE1 PHE 55 HE1 PHE 55 4.590 -8.449 -3.696 426 HE2 PHE 55 HE2 PHE 55 3.942 -5.659 -0.522 427 HZ PHE 55 HZ PHE 55 3.860 -7.972 -1.389 428 H CYS 56 HN CYS 56 2.720 -3.281 -4.842 429 HA CYS 56 HA CYS 56 1.365 -5.715 -4.425 430 1HB CYS 56 HB2 CYS 56 0.389 -2.908 -4.926 431 2HB CYS 56 HB1 CYS 56 -0.727 -4.234 -4.593 432 HG CYS 56 HG CYS 56 0.986 -2.850 -2.522 433 H THR 57 HN THR 57 1.466 -3.700 -7.332 434 HA THR 57 HA THR 57 -0.560 -5.123 -8.769 435 HB THR 57 HB THR 57 1.889 -3.767 -9.930 436 HG1 THR 57 HG1 THR 57 0.581 -2.488 -8.451 437 1HG2 THR 57 HG21 THR 57 0.460 -5.232 -11.420 438 2HG2 THR 57 HG22 THR 57 0.559 -3.543 -11.920 439 3HG2 THR 57 HG23 THR 57 -0.881 -4.134 -11.091 440 H PHE 58 HN PHE 58 2.885 -5.708 -8.302 441 HA PHE 58 HA PHE 58 3.115 -7.785 -10.286 442 1HB PHE 58 HB2 PHE 58 4.963 -6.418 -9.035 443 2HB PHE 58 HB1 PHE 58 4.828 -7.690 -7.821 444 HD1 PHE 58 HD1 PHE 58 6.537 -6.736 -10.716 445 HD2 PHE 58 HD2 PHE 58 4.697 -10.167 -8.900 446 HE1 PHE 58 HE1 PHE 58 7.934 -8.229 -12.120 447 HE2 PHE 58 HE2 PHE 58 6.094 -11.659 -10.304 448 HZ PHE 58 HZ PHE 58 7.712 -10.691 -11.914 449 H MET 59 HN MET 59 2.362 -7.841 -6.799 450 HA MET 59 HA MET 59 2.372 -10.742 -6.700 451 1HB MET 59 HB2 MET 59 1.762 -8.558 -4.828 452 2HB MET 59 HB1 MET 59 1.033 -10.119 -4.483 453 1HG MET 59 HG2 MET 59 3.980 -9.729 -5.055 454 2HG MET 59 HG1 MET 59 3.302 -9.783 -3.428 455 1HE MET 59 HE1 MET 59 5.535 -11.841 -3.956 456 2HE MET 59 HE2 MET 59 5.251 -11.484 -5.657 457 3HE MET 59 HE3 MET 59 5.175 -13.150 -5.091 458 H GLU 60 HN GLU 60 0.313 -8.792 -8.278 459 HA GLU 60 HA GLU 60 -1.757 -9.359 -9.278 460 1HB GLU 60 HB2 GLU 60 -0.984 -11.784 -8.558 461 2HB GLU 60 HB1 GLU 60 -2.218 -11.574 -7.314 462 1HG GLU 60 HG2 GLU 60 -3.353 -12.575 -9.152 463 2HG GLU 60 HG1 GLU 60 -3.792 -10.868 -9.213 464 H HIS 61 HN HIS 61 -1.249 -7.778 -6.712 465 HA HIS 61 HA HIS 61 -3.884 -7.995 -5.402 466 1HB HIS 61 HB2 HIS 61 -1.545 -6.173 -4.762 467 2HB HIS 61 HB1 HIS 61 -2.943 -6.499 -3.743 468 HD1 HIS 61 HD1 HIS 61 -2.587 -9.642 -4.979 469 HD2 HIS 61 HD2 HIS 61 -0.108 -7.437 -2.459 470 HE1 HIS 61 HE1 HIS 61 -1.132 -11.313 -3.772 471 H GLU 62 HN GLU 62 -4.844 -5.677 -4.886 472 HA GLU 62 HA GLU 62 -4.696 -4.095 -7.418 473 1HB GLU 62 HB2 GLU 62 -6.968 -5.146 -5.854 474 2HB GLU 62 HB1 GLU 62 -7.164 -3.523 -6.494 475 1HG GLU 62 HG2 GLU 62 -6.164 -4.741 -8.686 476 2HG GLU 62 HG1 GLU 62 -6.927 -6.136 -7.921 477 H LEU 63 HN LEU 63 -4.848 -1.889 -7.260 478 HA LEU 63 HA LEU 63 -4.215 -0.701 -4.621 479 1HB LEU 63 HB2 LEU 63 -2.857 0.305 -6.255 480 2HB LEU 63 HB1 LEU 63 -4.102 0.202 -7.493 481 HG LEU 63 HG LEU 63 -5.390 1.942 -6.060 482 1HD1 LEU 63 HD11 LEU 63 -2.918 1.627 -4.554 483 2HD1 LEU 63 HD12 LEU 63 -4.396 2.477 -4.104 484 3HD1 LEU 63 HD13 LEU 63 -3.160 3.301 -5.054 485 1HD2 LEU 63 HD21 LEU 63 -3.001 3.333 -7.026 486 2HD2 LEU 63 HD22 LEU 63 -4.665 3.429 -7.602 487 3HD2 LEU 63 HD23 LEU 63 -3.608 2.138 -8.172 488 H VAL 64 HN VAL 64 -6.186 -0.686 -3.470 489 HA VAL 64 HA VAL 64 -8.677 -0.322 -4.781 490 HB VAL 64 HB VAL 64 -7.790 -0.248 -1.897 491 1HG1 VAL 64 HG11 VAL 64 -10.270 -0.628 -1.503 492 2HG1 VAL 64 HG12 VAL 64 -10.520 -0.094 -3.165 493 3HG1 VAL 64 HG13 VAL 64 -9.819 1.008 -1.980 494 1HG2 VAL 64 HG21 VAL 64 -8.004 -2.317 -3.693 495 2HG2 VAL 64 HG22 VAL 64 -9.590 -2.333 -2.922 496 3HG2 VAL 64 HG23 VAL 64 -8.131 -2.486 -1.943 497 H ALA 65 HN ALA 65 -6.744 1.976 -2.729 498 HA ALA 65 HA ALA 65 -8.034 4.135 -4.334 499 1HB ALA 65 HB1 ALA 65 -8.131 5.203 -1.778 500 2HB ALA 65 HB2 ALA 65 -8.664 3.539 -1.542 501 3HB ALA 65 HB3 ALA 65 -9.509 4.582 -2.687 502 H LYS 66 HN LYS 66 -6.487 5.736 -4.813 503 HA LYS 66 HA LYS 66 -3.953 5.530 -3.317 504 1HB LYS 66 HB2 LYS 66 -4.333 7.327 -5.652 505 2HB LYS 66 HB1 LYS 66 -2.907 6.409 -5.170 506 1HG LYS 66 HG2 LYS 66 -3.605 5.091 -6.860 507 2HG LYS 66 HG1 LYS 66 -4.584 4.381 -5.605 508 1HD LYS 66 HD2 LYS 66 -6.355 4.829 -6.941 509 2HD LYS 66 HD1 LYS 66 -6.118 6.515 -6.479 510 1HE LYS 66 HE2 LYS 66 -4.443 6.664 -8.402 511 2HE LYS 66 HE1 LYS 66 -5.060 5.101 -8.934 512 1HZ LYS 66 HZ1 LYS 66 -6.647 6.235 -9.964 513 2HZ LYS 66 HZ2 LYS 66 -6.229 7.689 -9.191 514 3HZ LYS 66 HZ3 LYS 66 -7.294 6.600 -8.439 515 H GLU 67 HN GLU 67 -2.863 7.491 -2.756 516 HA GLU 67 HA GLU 67 -4.607 9.838 -2.296 517 1HB GLU 67 HB2 GLU 67 -3.271 8.144 -0.303 518 2HB GLU 67 HB1 GLU 67 -3.237 9.861 -0.013 519 1HG GLU 67 HG2 GLU 67 -5.869 9.208 -0.852 520 2HG GLU 67 HG1 GLU 67 -5.409 8.032 0.380 521 H THR 68 HN THR 68 -3.569 11.413 -3.402 522 HA THR 68 HA THR 68 -0.644 11.794 -2.918 523 HB THR 68 HB THR 68 -0.266 12.259 -5.271 524 HG1 THR 68 HG1 THR 68 -3.042 11.749 -5.542 525 1HG2 THR 68 HG21 THR 68 0.032 10.054 -5.570 526 2HG2 THR 68 HG22 THR 68 -1.683 9.874 -5.937 527 3HG2 THR 68 HG23 THR 68 -1.116 9.721 -4.274 528 H ASP 69 HN ASP 69 -3.072 13.033 -1.820 529 HA ASP 69 HA ASP 69 -3.370 15.626 -3.121 530 1HB ASP 69 HB2 ASP 69 -4.239 14.686 -0.383 531 2HB ASP 69 HB1 ASP 69 -4.761 16.184 -1.155 532 H GLY 70 HN GLY 70 -0.858 14.422 -1.543 533 1HA GLY 70 HA2 GLY 70 0.938 16.205 -1.265 534 2HA GLY 70 HA1 GLY 70 -0.177 16.897 -0.117 535 H LEU 71 HN LEU 71 2.454 15.273 -0.223 536 HA LEU 71 HA LEU 71 2.524 12.945 1.124 537 1HB LEU 71 HB2 LEU 71 4.162 15.364 1.898 538 2HB LEU 71 HB1 LEU 71 4.541 13.707 2.319 539 HG LEU 71 HG LEU 71 4.060 14.274 -0.531 540 1HD1 LEU 71 HD11 LEU 71 6.834 14.710 0.433 541 2HD1 LEU 71 HD12 LEU 71 5.694 16.024 0.718 542 3HD1 LEU 71 HD13 LEU 71 5.991 15.455 -0.925 543 1HD2 LEU 71 HD21 LEU 71 4.548 12.018 0.051 544 2HD2 LEU 71 HD22 LEU 71 5.862 12.508 1.122 545 3HD2 LEU 71 HD23 LEU 71 6.047 12.657 -0.625 546 HA PRO 72 HA PRO 72 3.392 11.886 2.526 547 1HB PRO 72 HB2 PRO 72 2.424 9.853 4.057 548 2HB PRO 72 HB1 PRO 72 3.665 10.977 4.642 549 1HG PRO 72 HG2 PRO 72 0.769 10.856 5.302 550 2HG PRO 72 HG1 PRO 72 2.112 11.428 6.310 551 1HD PRO 72 HD2 PRO 72 0.292 13.073 4.901 552 2HD PRO 72 HD1 PRO 72 1.856 13.599 5.564 553 H TYR 73 HN TYR 73 2.812 10.288 1.027 554 HA TYR 73 HA TYR 73 0.199 10.377 -0.146 555 1HB TYR 73 HB2 TYR 73 2.096 8.144 -0.599 556 2HB TYR 73 HB1 TYR 73 0.990 8.886 -1.747 557 HD1 TYR 73 HD1 TYR 73 4.251 8.768 -0.441 558 HD2 TYR 73 HD2 TYR 73 1.484 11.342 -2.427 559 HE1 TYR 73 HE1 TYR 73 6.151 10.118 -1.274 560 HE2 TYR 73 HE2 TYR 73 3.348 12.752 -3.234 561 HH TYR 73 HH TYR 73 5.573 12.953 -3.386 562 H ARG 74 HN ARG 74 -1.145 8.356 -0.495 563 HA ARG 74 HA ARG 74 -0.712 6.235 1.453 564 1HB ARG 74 HB2 ARG 74 -3.020 8.134 1.549 565 2HB ARG 74 HB1 ARG 74 -3.264 6.436 1.968 566 1HG ARG 74 HG2 ARG 74 -1.957 6.536 3.810 567 2HG ARG 74 HG1 ARG 74 -0.912 7.764 3.143 568 1HD ARG 74 HD2 ARG 74 -3.733 8.550 3.665 569 2HD ARG 74 HD1 ARG 74 -2.703 8.310 5.076 570 HE ARG 74 HE ARG 74 -1.262 9.929 3.255 571 1HH1 ARG 74 HH11 ARG 74 -2.054 10.542 6.161 572 2HH1 ARG 74 HH12 ARG 74 -2.955 12.006 5.946 573 1HH2 ARG 74 HH21 ARG 74 -3.325 11.588 2.525 574 2HH2 ARG 74 HH22 ARG 74 -3.675 12.598 3.888 575 H TYR 75 HN TYR 75 -1.858 4.346 0.857 576 HA TYR 75 HA TYR 75 -3.369 4.444 -1.642 577 1HB TYR 75 HB2 TYR 75 -1.154 2.493 -1.639 578 2HB TYR 75 HB1 TYR 75 -1.933 3.311 -2.994 579 HD1 TYR 75 HD1 TYR 75 -1.465 5.878 -3.230 580 HD2 TYR 75 HD2 TYR 75 0.802 3.227 -0.807 581 HE1 TYR 75 HE1 TYR 75 0.445 7.456 -3.336 582 HE2 TYR 75 HE2 TYR 75 2.742 4.793 -0.873 583 HH TYR 75 HH TYR 75 3.474 6.766 -1.579 584 H LEU 76 HN LEU 76 -5.034 2.992 -1.337 585 HA LEU 76 HA LEU 76 -4.676 1.021 0.728 586 1HB LEU 76 HB2 LEU 76 -6.853 2.141 0.602 587 2HB LEU 76 HB1 LEU 76 -7.074 1.545 -1.027 588 HG LEU 76 HG LEU 76 -6.659 -0.784 -0.011 589 1HD1 LEU 76 HD11 LEU 76 -7.377 0.797 2.463 590 2HD1 LEU 76 HD12 LEU 76 -5.835 -0.003 2.158 591 3HD1 LEU 76 HD13 LEU 76 -7.301 -0.962 2.362 592 1HD2 LEU 76 HD21 LEU 76 -8.832 -0.921 -0.401 593 2HD2 LEU 76 HD22 LEU 76 -8.927 0.842 -0.366 594 3HD2 LEU 76 HD23 LEU 76 -9.178 -0.087 1.112 595 H ILE 77 HN ILE 77 -4.806 -1.328 0.119 596 HA ILE 77 HA ILE 77 -4.917 -1.826 -2.775 597 HB ILE 77 HB ILE 77 -2.676 -2.840 -1.026 598 1HG1 ILE 77 HG12 ILE 77 -2.925 -0.434 -2.820 599 2HG1 ILE 77 HG11 ILE 77 -2.304 -0.516 -1.177 600 1HG2 ILE 77 HG21 ILE 77 -3.563 -3.988 -3.264 601 2HG2 ILE 77 HG22 ILE 77 -1.838 -3.870 -2.932 602 3HG2 ILE 77 HG23 ILE 77 -2.606 -2.714 -4.020 603 1HD1 ILE 77 HD11 ILE 77 -0.929 -1.924 -3.472 604 2HD1 ILE 77 HD12 ILE 77 -0.282 -1.549 -1.876 605 3HD1 ILE 77 HD13 ILE 77 -0.564 -0.255 -3.040 606 H ARG 78 HN ARG 78 -6.662 -3.259 -2.800 607 HA ARG 78 HA ARG 78 -7.036 -5.100 -0.562 608 1HB ARG 78 HB2 ARG 78 -8.941 -5.931 -1.732 609 2HB ARG 78 HB1 ARG 78 -8.889 -4.203 -2.078 610 1HG ARG 78 HG2 ARG 78 -7.515 -4.847 -4.153 611 2HG ARG 78 HG1 ARG 78 -8.076 -6.493 -3.862 612 1HD ARG 78 HD2 ARG 78 -9.964 -4.136 -4.063 613 2HD ARG 78 HD1 ARG 78 -9.507 -5.111 -5.460 614 HE ARG 78 HE ARG 78 -11.383 -5.893 -3.403 615 1HH1 ARG 78 HH11 ARG 78 -11.583 -6.935 -6.151 616 2HH1 ARG 78 HH12 ARG 78 -11.036 -8.570 -5.991 617 1HH2 ARG 78 HH21 ARG 78 -9.522 -8.044 -2.916 618 2HH2 ARG 78 HH22 ARG 78 -9.870 -9.199 -4.160 619 H LYS 79 HN LYS 79 -5.835 -6.916 -0.260 620 HA LYS 79 HA LYS 79 -4.054 -7.932 -2.304 621 1HB LYS 79 HB2 LYS 79 -3.639 -8.260 0.136 622 2HB LYS 79 HB1 LYS 79 -5.024 -9.356 0.190 623 1HG LYS 79 HG2 LYS 79 -3.973 -10.830 -1.450 624 2HG LYS 79 HG1 LYS 79 -2.618 -9.715 -1.623 625 1HD LYS 79 HD2 LYS 79 -1.608 -10.918 -0.003 626 2HD LYS 79 HD1 LYS 79 -2.739 -10.152 1.109 627 1HE LYS 79 HE2 LYS 79 -3.870 -12.081 1.430 628 2HE LYS 79 HE1 LYS 79 -3.959 -12.392 -0.304 629 1HZ LYS 79 HZ1 LYS 79 -1.595 -13.114 -0.166 630 2HZ LYS 79 HZ2 LYS 79 -2.682 -14.116 0.671 631 3HZ LYS 79 HZ3 LYS 79 -1.708 -13.015 1.524 632 H GLY 80 HN GLY 80 -4.959 -8.772 -4.116 633 1HA GLY 80 HA2 GLY 80 -6.199 -11.253 -4.257 634 2HA GLY 80 HA1 GLY 80 -7.531 -10.102 -4.135 635 H GLY 81 HN GLY 81 -7.304 -11.571 -6.439 636 1HA GLY 81 HA2 GLY 81 -7.005 -9.472 -8.434 637 2HA GLY 81 HA1 GLY 81 -5.765 -10.720 -8.571 Start of MODEL 19 1 1H MET 1 HT1 MET 1 -20.185 10.635 1.148 2 2H MET 1 HT2 MET 1 -19.272 11.170 -0.182 3 3H MET 1 HT3 MET 1 -19.997 12.296 0.863 4 HA MET 1 HA MET 1 -17.529 11.939 1.154 5 1HB MET 1 HB2 MET 1 -19.690 12.081 3.130 6 2HB MET 1 HB1 MET 1 -18.194 11.423 3.794 7 1HG MET 1 HG2 MET 1 -17.707 13.652 4.057 8 2HG MET 1 HG1 MET 1 -17.162 13.473 2.390 9 1HE MET 1 HE1 MET 1 -18.948 16.993 2.773 10 2HE MET 1 HE2 MET 1 -17.415 16.166 2.503 11 3HE MET 1 HE3 MET 1 -18.185 16.086 4.086 12 H THR 2 HN THR 2 -18.619 9.331 0.152 13 HA THR 2 HA THR 2 -17.650 7.391 2.156 14 HB THR 2 HB THR 2 -18.575 5.720 0.775 15 HG1 THR 2 HG1 THR 2 -19.206 6.564 -1.476 16 1HG2 THR 2 HG21 THR 2 -20.518 7.551 -0.321 17 2HG2 THR 2 HG22 THR 2 -20.081 8.046 1.314 18 3HG2 THR 2 HG23 THR 2 -20.696 6.420 1.020 19 H ASP 3 HN ASP 3 -15.534 6.828 2.220 20 HA ASP 3 HA ASP 3 -13.910 7.218 -0.263 21 1HB ASP 3 HB2 ASP 3 -13.436 7.866 2.564 22 2HB ASP 3 HB1 ASP 3 -12.099 6.995 1.810 23 H LEU 4 HN LEU 4 -12.532 5.522 -0.902 24 HA LEU 4 HA LEU 4 -13.338 2.860 -0.070 25 1HB LEU 4 HB2 LEU 4 -10.920 3.621 -1.730 26 2HB LEU 4 HB1 LEU 4 -11.763 2.072 -1.716 27 HG LEU 4 HG LEU 4 -13.361 4.513 -2.355 28 1HD1 LEU 4 HD11 LEU 4 -11.817 5.078 -3.948 29 2HD1 LEU 4 HD12 LEU 4 -12.589 3.768 -4.843 30 3HD1 LEU 4 HD13 LEU 4 -11.091 3.471 -3.960 31 1HD2 LEU 4 HD21 LEU 4 -13.407 1.906 -3.835 32 2HD2 LEU 4 HD22 LEU 4 -14.743 2.986 -3.432 33 3HD2 LEU 4 HD23 LEU 4 -14.041 1.950 -2.190 34 H PHE 5 HN PHE 5 -11.273 5.115 1.300 35 HA PHE 5 HA PHE 5 -9.289 3.184 2.289 36 1HB PHE 5 HB2 PHE 5 -9.674 6.137 2.442 37 2HB PHE 5 HB1 PHE 5 -8.749 5.368 3.733 38 HD1 PHE 5 HD1 PHE 5 -6.757 6.666 2.877 39 HD2 PHE 5 HD2 PHE 5 -8.739 3.682 0.521 40 HE1 PHE 5 HE1 PHE 5 -4.798 6.500 1.376 41 HE2 PHE 5 HE2 PHE 5 -6.750 3.544 -0.948 42 HZ PHE 5 HZ PHE 5 -4.786 5.003 -0.547 43 H SER 6 HN SER 6 -12.328 3.255 2.986 44 HA SER 6 HA SER 6 -12.817 3.906 5.643 45 1HB SER 6 HB2 SER 6 -13.670 1.420 4.133 46 2HB SER 6 HB1 SER 6 -14.336 1.896 5.693 47 HG SER 6 HG SER 6 -15.545 2.641 3.840 48 H SER 7 HN SER 7 -12.981 2.132 7.491 49 HA SER 7 HA SER 7 -10.439 1.513 8.420 50 1HB SER 7 HB2 SER 7 -11.490 -0.117 9.906 51 2HB SER 7 HB1 SER 7 -12.534 1.294 9.752 52 HG SER 7 HG SER 7 -13.629 -0.745 9.502 53 HA PRO 8 HA PRO 8 -9.490 -1.568 5.255 54 1HB PRO 8 HB2 PRO 8 -6.774 -1.394 5.624 55 2HB PRO 8 HB1 PRO 8 -7.701 -0.290 4.596 56 1HG PRO 8 HG2 PRO 8 -6.549 0.192 7.308 57 2HG PRO 8 HG1 PRO 8 -6.873 1.347 6.004 58 1HD PRO 8 HD2 PRO 8 -8.477 0.973 8.292 59 2HD PRO 8 HD1 PRO 8 -8.969 1.819 6.811 60 H ASP 9 HN ASP 9 -8.299 -3.676 5.405 61 HA ASP 9 HA ASP 9 -8.746 -4.900 8.021 62 1HB ASP 9 HB2 ASP 9 -7.581 -6.018 5.451 63 2HB ASP 9 HB1 ASP 9 -7.970 -6.977 6.881 64 H HIS 10 HN HIS 10 -6.059 -3.555 6.282 65 HA HIS 10 HA HIS 10 -4.307 -4.153 8.597 66 1HB HIS 10 HB2 HIS 10 -3.883 -5.056 5.762 67 2HB HIS 10 HB1 HIS 10 -2.500 -4.709 6.792 68 HD1 HIS 10 HD1 HIS 10 -1.784 -6.579 8.310 69 HD2 HIS 10 HD2 HIS 10 -5.741 -7.001 7.068 70 HE1 HIS 10 HE1 HIS 10 -2.599 -8.785 9.254 71 H THR 11 HN THR 11 -2.088 -2.933 8.162 72 HA THR 11 HA THR 11 -2.494 -0.497 6.522 73 HB THR 11 HB THR 11 -1.742 -0.421 9.444 74 HG1 THR 11 HG1 THR 11 -3.778 -0.109 9.838 75 1HG2 THR 11 HG21 THR 11 -2.337 1.794 7.462 76 2HG2 THR 11 HG22 THR 11 -0.734 1.362 8.059 77 3HG2 THR 11 HG23 THR 11 -1.940 2.017 9.166 78 H LEU 12 HN LEU 12 -0.434 0.727 6.305 79 HA LEU 12 HA LEU 12 2.020 -0.738 7.089 80 1HB LEU 12 HB2 LEU 12 1.708 -1.698 4.931 81 2HB LEU 12 HB1 LEU 12 1.193 -0.162 4.249 82 HG LEU 12 HG LEU 12 3.417 0.736 4.244 83 1HD1 LEU 12 HD11 LEU 12 5.247 -0.743 5.424 84 2HD1 LEU 12 HD12 LEU 12 3.884 -1.387 6.338 85 3HD1 LEU 12 HD13 LEU 12 4.253 0.334 6.397 86 1HD2 LEU 12 HD21 LEU 12 3.465 -0.803 2.494 87 2HD2 LEU 12 HD22 LEU 12 3.321 -2.194 3.568 88 3HD2 LEU 12 HD23 LEU 12 4.847 -1.320 3.455 89 H ASP 13 HN ASP 13 3.017 0.911 8.182 90 HA ASP 13 HA ASP 13 2.771 3.692 7.320 91 1HB ASP 13 HB2 ASP 13 3.228 2.879 9.721 92 2HB ASP 13 HB1 ASP 13 4.879 2.565 9.185 93 H ALA 14 HN ALA 14 4.172 4.733 5.868 94 HA ALA 14 HA ALA 14 6.709 3.331 5.246 95 1HB ALA 14 HB1 ALA 14 5.387 4.408 2.863 96 2HB ALA 14 HB2 ALA 14 4.575 3.019 3.585 97 3HB ALA 14 HB3 ALA 14 6.262 2.892 3.090 98 H LEU 15 HN LEU 15 5.537 5.710 6.576 99 HA LEU 15 HA LEU 15 6.651 8.033 5.254 100 1HB LEU 15 HB2 LEU 15 5.922 7.826 8.162 101 2HB LEU 15 HB1 LEU 15 5.859 9.203 7.082 102 HG LEU 15 HG LEU 15 4.114 6.792 6.674 103 1HD1 LEU 15 HD11 LEU 15 2.309 8.098 7.730 104 2HD1 LEU 15 HD12 LEU 15 3.461 9.375 8.122 105 3HD1 LEU 15 HD13 LEU 15 3.613 7.788 8.877 106 1HD2 LEU 15 HD21 LEU 15 4.629 9.330 5.325 107 2HD2 LEU 15 HD22 LEU 15 2.922 9.098 5.699 108 3HD2 LEU 15 HD23 LEU 15 3.781 7.899 4.734 109 H GLY 16 HN GLY 16 8.786 7.931 5.082 110 1HA GLY 16 HA2 GLY 16 10.987 8.262 6.078 111 2HA GLY 16 HA1 GLY 16 10.402 7.443 7.534 112 H LEU 17 HN LEU 17 9.075 5.695 5.158 113 HA LEU 17 HA LEU 17 11.185 3.637 5.220 114 1HB LEU 17 HB2 LEU 17 8.332 3.631 4.190 115 2HB LEU 17 HB1 LEU 17 9.424 2.258 4.071 116 HG LEU 17 HG LEU 17 8.047 3.391 6.455 117 1HD1 LEU 17 HD11 LEU 17 7.238 1.341 5.449 118 2HD1 LEU 17 HD12 LEU 17 8.038 0.906 6.961 119 3HD1 LEU 17 HD13 LEU 17 8.864 0.659 5.421 120 1HD2 LEU 17 HD21 LEU 17 9.763 2.069 7.838 121 2HD2 LEU 17 HD22 LEU 17 10.250 3.662 7.254 122 3HD2 LEU 17 HD23 LEU 17 10.816 2.208 6.430 123 H ARG 18 HN ARG 18 12.076 2.877 3.250 124 HA ARG 18 HA ARG 18 11.167 4.332 0.841 125 1HB ARG 18 HB2 ARG 18 13.651 4.729 0.276 126 2HB ARG 18 HB1 ARG 18 12.852 5.779 1.447 127 1HG ARG 18 HG2 ARG 18 13.789 4.478 3.300 128 2HG ARG 18 HG1 ARG 18 14.546 3.369 2.157 129 1HD ARG 18 HD2 ARG 18 15.996 5.092 1.317 130 2HD ARG 18 HD1 ARG 18 15.115 6.341 2.197 131 HE ARG 18 HE ARG 18 16.516 4.194 3.718 132 1HH1 ARG 18 HH11 ARG 18 17.704 6.876 2.366 133 2HH1 ARG 18 HH12 ARG 18 17.965 7.782 3.819 134 1HH2 ARG 18 HH21 ARG 18 16.125 5.620 5.811 135 2HH2 ARG 18 HH22 ARG 18 17.070 7.071 5.769 136 H CYS 19 HN CYS 19 11.616 3.231 -1.069 137 HA CYS 19 HA CYS 19 11.505 0.447 -1.020 138 1HB CYS 19 HB2 CYS 19 11.076 1.543 -3.075 139 2HB CYS 19 HB1 CYS 19 12.669 2.293 -3.107 140 HG CYS 19 HG CYS 19 12.021 -0.483 -4.132 141 HA PRO 20 HA PRO 20 11.944 -1.306 -1.733 142 1HB PRO 20 HB2 PRO 20 12.848 -3.724 -0.841 143 2HB PRO 20 HB1 PRO 20 13.362 -3.017 -2.383 144 1HG PRO 20 HG2 PRO 20 14.887 -3.277 0.157 145 2HG PRO 20 HG1 PRO 20 15.491 -3.131 -1.498 146 1HD PRO 20 HD2 PRO 20 15.350 -1.064 0.467 147 2HD PRO 20 HD1 PRO 20 15.797 -0.885 -1.243 148 H GLU 21 HN GLU 21 13.032 -0.432 1.282 149 HA GLU 21 HA GLU 21 12.000 -2.224 3.131 150 1HB GLU 21 HB2 GLU 21 12.291 0.722 3.228 151 2HB GLU 21 HB1 GLU 21 11.615 -0.141 4.600 152 1HG GLU 21 HG2 GLU 21 13.822 -1.666 3.991 153 2HG GLU 21 HG1 GLU 21 14.393 -0.036 3.630 154 HA PRO 22 HA PRO 22 7.739 -0.119 3.184 155 1HB PRO 22 HB2 PRO 22 7.094 1.237 0.875 156 2HB PRO 22 HB1 PRO 22 7.753 2.008 2.314 157 1HG PRO 22 HG2 PRO 22 9.107 1.362 -0.258 158 2HG PRO 22 HG1 PRO 22 9.457 2.659 0.899 159 1HD PRO 22 HD2 PRO 22 10.918 0.299 0.659 160 2HD PRO 22 HD1 PRO 22 10.943 1.350 2.081 161 H VAL 23 HN VAL 23 8.511 -0.557 -0.244 162 HA VAL 23 HA VAL 23 6.390 -2.230 -0.996 163 HB VAL 23 HB VAL 23 9.321 -2.366 -1.754 164 1HG1 VAL 23 HG11 VAL 23 8.558 -4.448 -2.464 165 2HG1 VAL 23 HG12 VAL 23 8.192 -3.456 -3.876 166 3HG1 VAL 23 HG13 VAL 23 6.915 -3.870 -2.731 167 1HG2 VAL 23 HG21 VAL 23 8.812 -0.891 -3.489 168 2HG2 VAL 23 HG22 VAL 23 7.747 -0.295 -2.216 169 3HG2 VAL 23 HG23 VAL 23 7.103 -1.326 -3.494 170 H MET 24 HN MET 24 9.170 -2.864 1.049 171 HA MET 24 HA MET 24 8.912 -5.770 0.970 172 1HB MET 24 HB2 MET 24 10.433 -3.809 2.669 173 2HB MET 24 HB1 MET 24 10.337 -5.503 3.148 174 1HG MET 24 HG2 MET 24 10.930 -5.364 0.341 175 2HG MET 24 HG1 MET 24 12.071 -4.345 1.219 176 1HE MET 24 HE1 MET 24 14.662 -6.692 1.769 177 2HE MET 24 HE2 MET 24 14.081 -5.425 2.846 178 3HE MET 24 HE3 MET 24 14.012 -5.188 1.102 179 H MET 25 HN MET 25 7.831 -3.207 3.186 180 HA MET 25 HA MET 25 6.739 -4.924 5.178 181 1HB MET 25 HB2 MET 25 6.280 -2.082 4.344 182 2HB MET 25 HB1 MET 25 5.146 -2.829 5.470 183 1HG MET 25 HG2 MET 25 7.598 -3.596 6.487 184 2HG MET 25 HG1 MET 25 7.914 -1.960 5.912 185 1HE MET 25 HE1 MET 25 7.433 -0.809 9.409 186 2HE MET 25 HE2 MET 25 8.359 -0.811 7.911 187 3HE MET 25 HE3 MET 25 8.308 -2.263 8.908 188 H VAL 26 HN VAL 26 5.289 -3.503 2.239 189 HA VAL 26 HA VAL 26 2.667 -4.577 2.655 190 HB VAL 26 HB VAL 26 4.174 -3.926 0.111 191 1HG1 VAL 26 HG11 VAL 26 1.909 -5.556 0.310 192 2HG1 VAL 26 HG12 VAL 26 2.441 -4.699 -1.134 193 3HG1 VAL 26 HG13 VAL 26 1.255 -3.964 -0.060 194 1HG2 VAL 26 HG21 VAL 26 3.725 -1.866 1.016 195 2HG2 VAL 26 HG22 VAL 26 2.401 -2.480 2.007 196 3HG2 VAL 26 HG23 VAL 26 2.142 -2.155 0.294 197 H ARG 27 HN ARG 27 5.653 -5.982 1.449 198 HA ARG 27 HA ARG 27 4.519 -8.339 0.260 199 1HB ARG 27 HB2 ARG 27 7.063 -7.406 0.430 200 2HB ARG 27 HB1 ARG 27 7.093 -8.645 1.693 201 1HG ARG 27 HG2 ARG 27 7.658 -9.920 -0.158 202 2HG ARG 27 HG1 ARG 27 5.907 -10.118 -0.144 203 1HD ARG 27 HD2 ARG 27 5.732 -9.144 -2.156 204 2HD ARG 27 HD1 ARG 27 6.599 -7.719 -1.586 205 HE ARG 27 HE ARG 27 7.711 -9.480 -3.400 206 1HH1 ARG 27 HH21 ARG 27 8.929 -7.248 -1.437 207 2HH1 ARG 27 HH22 ARG 27 10.387 -8.074 -0.997 208 1HH2 ARG 27 HH11 ARG 27 9.359 -11.126 -2.285 209 2HH2 ARG 27 HH12 ARG 27 10.630 -10.270 -1.478 210 H LYS 28 HN LYS 28 6.025 -7.921 3.426 211 HA LYS 28 HA LYS 28 5.353 -10.446 4.519 212 1HB LYS 28 HB2 LYS 28 5.813 -7.749 5.812 213 2HB LYS 28 HB1 LYS 28 5.492 -9.200 6.763 214 1HG LYS 28 HG2 LYS 28 7.462 -9.917 4.860 215 2HG LYS 28 HG1 LYS 28 7.962 -8.367 5.537 216 1HD LYS 28 HD2 LYS 28 7.133 -9.684 7.787 217 2HD LYS 28 HD1 LYS 28 7.785 -11.014 6.831 218 1HE LYS 28 HE2 LYS 28 9.862 -10.372 7.408 219 2HE LYS 28 HE1 LYS 28 9.600 -8.848 6.562 220 1HZ LYS 28 HZ1 LYS 28 9.889 -7.994 8.604 221 2HZ LYS 28 HZ2 LYS 28 9.481 -9.439 9.399 222 3HZ LYS 28 HZ3 LYS 28 8.259 -8.410 8.818 223 H THR 29 HN THR 29 3.603 -7.400 4.525 224 HA THR 29 HA THR 29 1.332 -8.233 6.059 225 HB THR 29 HB THR 29 2.074 -6.089 4.156 226 HG1 THR 29 HG1 THR 29 2.282 -5.256 6.051 227 1HG2 THR 29 HG21 THR 29 -0.811 -6.460 4.968 228 2HG2 THR 29 HG22 THR 29 -0.176 -6.790 3.355 229 3HG2 THR 29 HG23 THR 29 -0.146 -5.148 3.994 230 H VAL 30 HN VAL 30 2.320 -8.427 2.746 231 HA VAL 30 HA VAL 30 -0.169 -9.442 1.662 232 HB VAL 30 HB VAL 30 2.711 -9.347 0.735 233 1HG1 VAL 30 HG11 VAL 30 1.685 -10.138 -1.492 234 2HG1 VAL 30 HG12 VAL 30 0.384 -10.775 -0.485 235 3HG1 VAL 30 HG13 VAL 30 2.039 -11.341 -0.253 236 1HG2 VAL 30 HG21 VAL 30 0.399 -8.217 -0.783 237 2HG2 VAL 30 HG22 VAL 30 2.055 -7.628 -0.670 238 3HG2 VAL 30 HG23 VAL 30 0.935 -7.370 0.667 239 H ARG 31 HN ARG 31 2.619 -10.655 3.300 240 HA ARG 31 HA ARG 31 2.281 -13.458 2.645 241 1HB ARG 31 HB2 ARG 31 3.725 -12.188 4.994 242 2HB ARG 31 HB1 ARG 31 3.901 -13.855 4.449 243 1HG ARG 31 HG2 ARG 31 4.660 -12.909 2.201 244 2HG ARG 31 HG1 ARG 31 4.739 -11.346 2.996 245 1HD ARG 31 HD2 ARG 31 6.870 -12.910 2.896 246 2HD ARG 31 HD1 ARG 31 6.530 -11.928 4.320 247 HE ARG 31 HE ARG 31 5.567 -13.977 5.370 248 1HH1 ARG 31 HH21 ARG 31 5.582 -15.316 2.525 249 2HH1 ARG 31 HH22 ARG 31 6.807 -16.514 2.781 250 1HH2 ARG 31 HH11 ARG 31 7.970 -15.075 5.715 251 2HH2 ARG 31 HH12 ARG 31 8.158 -16.378 4.589 252 H ASN 32 HN ASN 32 1.138 -11.228 5.147 253 HA ASN 32 HA ASN 32 -0.277 -13.547 6.411 254 1HB ASN 32 HB2 ASN 32 -0.188 -12.466 8.448 255 2HB ASN 32 HB1 ASN 32 1.256 -11.789 7.711 256 1HD2 ASN 32 HD21 ASN 32 0.419 -9.796 6.127 257 2HD2 ASN 32 HD22 ASN 32 -0.517 -8.652 6.959 258 H MET 33 HN MET 33 -0.831 -11.332 4.091 259 HA MET 33 HA MET 33 -3.548 -10.568 4.958 260 1HB MET 33 HB2 MET 33 -1.739 -9.799 2.716 261 2HB MET 33 HB1 MET 33 -3.474 -9.701 2.420 262 1HG MET 33 HG2 MET 33 -3.416 -8.525 4.820 263 2HG MET 33 HG1 MET 33 -1.786 -8.124 4.307 264 1HE MET 33 HE1 MET 33 -5.675 -7.109 2.079 265 2HE MET 33 HE2 MET 33 -5.590 -7.708 3.733 266 3HE MET 33 HE3 MET 33 -5.083 -8.744 2.401 267 H GLN 34 HN GLN 34 -5.359 -10.983 3.410 268 HA GLN 34 HA GLN 34 -5.060 -13.620 2.039 269 1HB GLN 34 HB2 GLN 34 -7.523 -12.651 3.517 270 2HB GLN 34 HB1 GLN 34 -7.254 -14.256 2.835 271 1HG GLN 34 HG2 GLN 34 -5.484 -13.077 4.987 272 2HG GLN 34 HG1 GLN 34 -6.902 -14.058 5.353 273 1HE2 GLN 34 HE21 GLN 34 -4.363 -15.015 6.118 274 2HE2 GLN 34 HE22 GLN 34 -3.944 -16.343 5.146 275 HA PRO 35 HA PRO 35 -6.750 -11.515 -1.396 276 1HB PRO 35 HB2 PRO 35 -8.053 -13.606 -2.647 277 2HB PRO 35 HB1 PRO 35 -6.300 -13.358 -2.695 278 1HG PRO 35 HG2 PRO 35 -7.878 -15.329 -1.090 279 2HG PRO 35 HG1 PRO 35 -6.228 -15.464 -1.723 280 1HD PRO 35 HD2 PRO 35 -6.877 -14.873 0.941 281 2HD PRO 35 HD1 PRO 35 -5.305 -14.543 0.179 282 H GLY 36 HN GLY 36 -8.426 -10.181 -1.313 283 1HA GLY 36 HA2 GLY 36 -10.847 -9.781 -1.508 284 2HA GLY 36 HA1 GLY 36 -11.096 -11.181 -0.452 285 H GLU 37 HN GLU 37 -8.409 -9.129 0.237 286 HA GLU 37 HA GLU 37 -9.925 -7.932 2.526 287 1HB GLU 37 HB2 GLU 37 -7.276 -9.302 2.375 288 2HB GLU 37 HB1 GLU 37 -7.433 -7.945 3.484 289 1HG GLU 37 HG2 GLU 37 -7.993 -9.997 4.670 290 2HG GLU 37 HG1 GLU 37 -9.459 -9.037 4.464 291 H THR 38 HN THR 38 -8.246 -6.069 3.445 292 HA THR 38 HA THR 38 -7.280 -4.520 1.096 293 HB THR 38 HB THR 38 -8.324 -2.488 2.453 294 HG1 THR 38 HG1 THR 38 -9.518 -3.216 4.007 295 1HG2 THR 38 HG21 THR 38 -8.816 -3.500 0.094 296 2HG2 THR 38 HG22 THR 38 -10.017 -2.445 0.838 297 3HG2 THR 38 HG23 THR 38 -10.233 -4.195 0.880 298 H LEU 39 HN LEU 39 -5.748 -2.853 1.657 299 HA LEU 39 HA LEU 39 -4.638 -2.921 4.419 300 1HB LEU 39 HB2 LEU 39 -3.354 -4.629 3.321 301 2HB LEU 39 HB1 LEU 39 -3.154 -3.642 1.876 302 HG LEU 39 HG LEU 39 -2.052 -1.959 3.645 303 1HD1 LEU 39 HD11 LEU 39 -2.145 -3.044 5.672 304 2HD1 LEU 39 HD12 LEU 39 -0.609 -3.677 5.084 305 3HD1 LEU 39 HD13 LEU 39 -2.076 -4.645 4.940 306 1HD2 LEU 39 HD21 LEU 39 -0.883 -2.775 1.691 307 2HD2 LEU 39 HD22 LEU 39 -0.757 -4.392 2.383 308 3HD2 LEU 39 HD23 LEU 39 0.155 -3.057 3.089 309 H LEU 40 HN LEU 40 -4.502 -0.754 4.937 310 HA LEU 40 HA LEU 40 -4.255 1.253 2.798 311 1HB LEU 40 HB2 LEU 40 -5.768 1.872 4.561 312 2HB LEU 40 HB1 LEU 40 -4.597 1.437 5.805 313 HG LEU 40 HG LEU 40 -3.083 3.238 4.920 314 1HD1 LEU 40 HD11 LEU 40 -5.242 4.679 3.585 315 2HD1 LEU 40 HD12 LEU 40 -4.843 3.173 2.758 316 3HD1 LEU 40 HD13 LEU 40 -3.592 4.383 3.041 317 1HD2 LEU 40 HD21 LEU 40 -5.640 3.566 6.312 318 2HD2 LEU 40 HD22 LEU 40 -5.097 5.053 5.534 319 3HD2 LEU 40 HD23 LEU 40 -4.058 4.239 6.704 320 H ILE 41 HN ILE 41 -2.378 2.542 2.534 321 HA ILE 41 HA ILE 41 -0.053 1.832 4.263 322 HB ILE 41 HB ILE 41 0.174 2.025 1.265 323 1HG1 ILE 41 HG12 ILE 41 -0.718 -0.297 2.976 324 2HG1 ILE 41 HG11 ILE 41 -1.360 0.257 1.439 325 1HG2 ILE 41 HG21 ILE 41 2.345 1.636 1.692 326 2HG2 ILE 41 HG22 ILE 41 1.946 0.193 2.620 327 3HG2 ILE 41 HG23 ILE 41 1.991 1.764 3.413 328 1HD1 ILE 41 HD11 ILE 41 0.733 -1.680 1.931 329 2HD1 ILE 41 HD12 ILE 41 1.316 -0.379 0.894 330 3HD1 ILE 41 HD13 ILE 41 -0.108 -1.308 0.427 331 H ILE 42 HN ILE 42 0.939 3.716 4.951 332 HA ILE 42 HA ILE 42 0.473 6.147 3.313 333 HB ILE 42 HB ILE 42 1.835 6.077 5.999 334 1HG1 ILE 42 HG12 ILE 42 -1.093 5.866 5.338 335 2HG1 ILE 42 HG11 ILE 42 -0.174 5.017 6.583 336 1HG2 ILE 42 HG21 ILE 42 1.850 8.131 4.516 337 2HG2 ILE 42 HG22 ILE 42 1.108 8.385 6.091 338 3HG2 ILE 42 HG23 ILE 42 0.097 8.175 4.663 339 1HD1 ILE 42 HD11 ILE 42 -1.419 6.655 7.757 340 2HD1 ILE 42 HD12 ILE 42 -1.058 7.895 6.555 341 3HD1 ILE 42 HD13 ILE 42 0.211 7.317 7.633 342 H ALA 43 HN ALA 43 2.396 7.490 2.953 343 HA ALA 43 HA ALA 43 5.010 6.287 3.327 344 1HB ALA 43 HB1 ALA 43 5.396 5.392 1.274 345 2HB ALA 43 HB2 ALA 43 4.542 6.695 0.448 346 3HB ALA 43 HB3 ALA 43 3.639 5.346 1.135 347 H ASP 44 HN ASP 44 6.374 7.973 3.524 348 HA ASP 44 HA ASP 44 5.519 10.537 2.289 349 1HB ASP 44 HB2 ASP 44 6.979 11.685 3.836 350 2HB ASP 44 HB1 ASP 44 5.967 10.595 4.772 351 H ASP 45 HN ASP 45 7.790 7.941 2.364 352 HA ASP 45 HA ASP 45 9.933 9.181 0.931 353 1HB ASP 45 HB2 ASP 45 10.423 7.113 1.824 354 2HB ASP 45 HB1 ASP 45 8.886 6.441 1.320 355 HA PRO 46 HA PRO 46 7.854 9.795 -2.922 356 1HB PRO 46 HB2 PRO 46 10.090 10.261 -4.451 357 2HB PRO 46 HB1 PRO 46 9.399 11.453 -3.337 358 1HG PRO 46 HG2 PRO 46 11.865 9.808 -3.036 359 2HG PRO 46 HG1 PRO 46 11.462 11.369 -2.301 360 1HD PRO 46 HD2 PRO 46 11.335 8.841 -1.024 361 2HD PRO 46 HD1 PRO 46 10.656 10.357 -0.411 362 H ALA 47 HN ALA 47 10.236 7.362 -2.408 363 HA ALA 47 HA ALA 47 9.820 6.104 -5.050 364 1HB ALA 47 HB1 ALA 47 11.500 4.514 -4.371 365 2HB ALA 47 HB2 ALA 47 11.355 5.000 -2.683 366 3HB ALA 47 HB3 ALA 47 12.057 6.108 -3.862 367 H THR 48 HN THR 48 8.107 6.165 -2.205 368 HA THR 48 HA THR 48 7.326 3.318 -2.256 369 HB THR 48 HB THR 48 5.665 4.180 -0.463 370 HG1 THR 48 HG1 THR 48 5.871 6.379 -1.077 371 1HG2 THR 48 HG21 THR 48 7.221 3.412 0.960 372 2HG2 THR 48 HG22 THR 48 8.241 4.823 0.686 373 3HG2 THR 48 HG23 THR 48 8.363 3.428 -0.383 374 H THR 49 HN THR 49 5.935 6.498 -2.996 375 HA THR 49 HA THR 49 3.305 5.682 -3.637 376 HB THR 49 HB THR 49 3.038 7.746 -4.644 377 HG1 THR 49 HG1 THR 49 4.185 7.442 -6.472 378 1HG2 THR 49 HG21 THR 49 4.674 7.818 -2.498 379 2HG2 THR 49 HG22 THR 49 4.143 9.268 -3.350 380 3HG2 THR 49 HG23 THR 49 5.725 8.572 -3.697 381 H ARG 50 HN ARG 50 6.300 5.488 -5.474 382 HA ARG 50 HA ARG 50 4.819 4.361 -7.790 383 1HB ARG 50 HB2 ARG 50 7.659 5.259 -7.359 384 2HB ARG 50 HB1 ARG 50 7.181 4.364 -8.802 385 1HG ARG 50 HG2 ARG 50 5.253 6.428 -8.380 386 2HG ARG 50 HG1 ARG 50 6.857 7.155 -8.273 387 1HD ARG 50 HD2 ARG 50 7.340 5.713 -10.420 388 2HD ARG 50 HD1 ARG 50 5.584 5.712 -10.578 389 HE ARG 50 HE ARG 50 5.654 8.126 -10.852 390 1HH1 ARG 50 HH11 ARG 50 8.225 8.395 -9.155 391 2HH1 ARG 50 HH12 ARG 50 9.343 8.926 -10.368 392 1HH2 ARG 50 HH21 ARG 50 7.302 8.026 -13.022 393 2HH2 ARG 50 HH22 ARG 50 8.820 8.717 -12.557 394 H ASP 51 HN ASP 51 7.264 3.335 -5.436 395 HA ASP 51 HA ASP 51 7.521 0.725 -6.739 396 1HB ASP 51 HB2 ASP 51 8.638 1.726 -4.107 397 2HB ASP 51 HB1 ASP 51 9.120 0.241 -4.936 398 H ILE 52 HN ILE 52 6.196 1.821 -3.594 399 HA ILE 52 HA ILE 52 5.559 -0.718 -2.593 400 HB ILE 52 HB ILE 52 4.508 2.016 -2.143 401 1HG1 ILE 52 HG12 ILE 52 5.630 -0.249 -0.502 402 2HG1 ILE 52 HG11 ILE 52 6.346 1.331 -0.822 403 1HG2 ILE 52 HG21 ILE 52 3.053 -0.445 -1.118 404 2HG2 ILE 52 HG22 ILE 52 2.410 0.692 -2.303 405 3HG2 ILE 52 HG23 ILE 52 2.717 1.222 -0.649 406 1HD1 ILE 52 HD11 ILE 52 5.362 1.128 1.481 407 2HD1 ILE 52 HD12 ILE 52 3.780 0.918 0.737 408 3HD1 ILE 52 HD13 ILE 52 4.658 2.433 0.528 409 HA PRO 53 HA PRO 53 1.394 -0.635 -4.826 410 1HB PRO 53 HB2 PRO 53 1.171 1.106 -6.939 411 2HB PRO 53 HB1 PRO 53 0.603 1.439 -5.292 412 1HG PRO 53 HG2 PRO 53 2.999 2.500 -6.715 413 2HG PRO 53 HG1 PRO 53 2.072 3.224 -5.390 414 1HD PRO 53 HD2 PRO 53 4.557 1.922 -5.133 415 2HD PRO 53 HD1 PRO 53 3.450 2.309 -3.796 416 H GLY 54 HN GLY 54 3.947 0.437 -7.104 417 1HA GLY 54 HA2 GLY 54 3.351 -1.343 -9.192 418 2HA GLY 54 HA1 GLY 54 5.003 -0.839 -8.794 419 H PHE 55 HN PHE 55 4.615 -1.966 -6.002 420 HA PHE 55 HA PHE 55 5.523 -4.667 -6.657 421 1HB PHE 55 HB2 PHE 55 6.632 -3.951 -4.761 422 2HB PHE 55 HB1 PHE 55 5.259 -3.009 -4.185 423 HD1 PHE 55 HD1 PHE 55 5.402 -6.599 -5.222 424 HD2 PHE 55 HD2 PHE 55 4.828 -3.812 -2.017 425 HE1 PHE 55 HE1 PHE 55 4.706 -8.448 -3.751 426 HE2 PHE 55 HE2 PHE 55 4.128 -5.672 -0.553 427 HZ PHE 55 HZ PHE 55 4.057 -7.988 -1.416 428 H CYS 56 HN CYS 56 2.682 -3.324 -4.876 429 HA CYS 56 HA CYS 56 1.403 -5.789 -4.418 430 1HB CYS 56 HB2 CYS 56 0.353 -3.012 -4.923 431 2HB CYS 56 HB1 CYS 56 -0.749 -4.364 -4.650 432 HG CYS 56 HG CYS 56 0.126 -4.631 -2.270 433 H THR 57 HN THR 57 1.411 -3.785 -7.345 434 HA THR 57 HA THR 57 -0.543 -5.287 -8.790 435 HB THR 57 HB THR 57 1.887 -3.891 -9.945 436 HG1 THR 57 HG1 THR 57 -0.689 -2.815 -9.498 437 1HG2 THR 57 HG21 THR 57 -0.635 -3.734 -11.387 438 2HG2 THR 57 HG22 THR 57 -0.128 -5.405 -11.146 439 3HG2 THR 57 HG23 THR 57 0.946 -4.266 -11.958 440 H PHE 58 HN PHE 58 2.909 -5.770 -8.285 441 HA PHE 58 HA PHE 58 3.274 -7.839 -10.235 442 1HB PHE 58 HB2 PHE 58 5.005 -6.449 -8.808 443 2HB PHE 58 HB1 PHE 58 4.845 -7.797 -7.683 444 HD1 PHE 58 HD1 PHE 58 6.727 -6.616 -10.356 445 HD2 PHE 58 HD2 PHE 58 4.805 -10.201 -8.976 446 HE1 PHE 58 HE1 PHE 58 8.249 -7.976 -11.767 447 HE2 PHE 58 HE2 PHE 58 6.325 -11.560 -10.387 448 HZ PHE 58 HZ PHE 58 8.047 -10.448 -11.782 449 H MET 59 HN MET 59 2.400 -7.975 -6.769 450 HA MET 59 HA MET 59 2.379 -10.886 -6.803 451 1HB MET 59 HB2 MET 59 1.873 -8.802 -4.799 452 2HB MET 59 HB1 MET 59 1.090 -10.350 -4.529 453 1HG MET 59 HG2 MET 59 3.966 -10.384 -5.313 454 2HG MET 59 HG1 MET 59 3.577 -9.861 -3.676 455 1HE MET 59 HE1 MET 59 3.470 -12.366 -6.362 456 2HE MET 59 HE2 MET 59 1.776 -12.711 -6.016 457 3HE MET 59 HE3 MET 59 3.006 -13.918 -5.650 458 H GLU 60 HN GLU 60 0.302 -8.855 -8.245 459 HA GLU 60 HA GLU 60 -1.796 -9.369 -9.211 460 1HB GLU 60 HB2 GLU 60 -2.093 -11.670 -7.282 461 2HB GLU 60 HB1 GLU 60 -2.844 -11.459 -8.862 462 1HG GLU 60 HG2 GLU 60 0.090 -11.394 -8.964 463 2HG GLU 60 HG1 GLU 60 -0.554 -12.927 -8.379 464 H HIS 61 HN HIS 61 -1.236 -7.828 -6.655 465 HA HIS 61 HA HIS 61 -3.832 -8.062 -5.269 466 1HB HIS 61 HB2 HIS 61 -1.482 -6.230 -4.693 467 2HB HIS 61 HB1 HIS 61 -2.848 -6.565 -3.634 468 HD1 HIS 61 HD1 HIS 61 -2.543 -9.703 -4.863 469 HD2 HIS 61 HD2 HIS 61 0.053 -7.497 -2.464 470 HE1 HIS 61 HE1 HIS 61 -1.041 -11.374 -3.719 471 H GLU 62 HN GLU 62 -4.810 -5.745 -4.752 472 HA GLU 62 HA GLU 62 -4.672 -4.169 -7.291 473 1HB GLU 62 HB2 GLU 62 -6.963 -5.191 -5.718 474 2HB GLU 62 HB1 GLU 62 -7.142 -3.601 -6.437 475 1HG GLU 62 HG2 GLU 62 -7.060 -4.425 -8.598 476 2HG GLU 62 HG1 GLU 62 -6.024 -5.780 -8.152 477 H LEU 63 HN LEU 63 -4.722 -1.981 -7.142 478 HA LEU 63 HA LEU 63 -4.173 -0.769 -4.502 479 1HB LEU 63 HB2 LEU 63 -2.807 0.261 -6.108 480 2HB LEU 63 HB1 LEU 63 -4.017 0.109 -7.378 481 HG LEU 63 HG LEU 63 -5.386 1.849 -6.074 482 1HD1 LEU 63 HD11 LEU 63 -3.261 1.471 -4.237 483 2HD1 LEU 63 HD12 LEU 63 -4.582 2.633 -4.123 484 3HD1 LEU 63 HD13 LEU 63 -3.069 3.093 -4.903 485 1HD2 LEU 63 HD21 LEU 63 -2.947 3.284 -6.817 486 2HD2 LEU 63 HD22 LEU 63 -4.550 3.347 -7.548 487 3HD2 LEU 63 HD23 LEU 63 -3.418 2.079 -8.014 488 H VAL 64 HN VAL 64 -6.147 -0.715 -3.354 489 HA VAL 64 HA VAL 64 -8.627 -0.408 -4.715 490 HB VAL 64 HB VAL 64 -7.789 -0.294 -1.819 491 1HG1 VAL 64 HG11 VAL 64 -10.489 -0.143 -3.137 492 2HG1 VAL 64 HG12 VAL 64 -9.806 0.963 -1.946 493 3HG1 VAL 64 HG13 VAL 64 -10.278 -0.670 -1.470 494 1HG2 VAL 64 HG21 VAL 64 -8.083 -2.533 -1.867 495 2HG2 VAL 64 HG22 VAL 64 -8.034 -2.385 -3.624 496 3HG2 VAL 64 HG23 VAL 64 -9.583 -2.394 -2.782 497 H ALA 65 HN ALA 65 -6.707 1.944 -2.718 498 HA ALA 65 HA ALA 65 -8.023 4.068 -4.339 499 1HB ALA 65 HB1 ALA 65 -8.692 3.483 -1.559 500 2HB ALA 65 HB2 ALA 65 -9.516 4.530 -2.713 501 3HB ALA 65 HB3 ALA 65 -8.152 5.148 -1.781 502 H LYS 66 HN LYS 66 -6.487 5.679 -4.817 503 HA LYS 66 HA LYS 66 -3.969 5.516 -3.292 504 1HB LYS 66 HB2 LYS 66 -4.342 7.287 -5.646 505 2HB LYS 66 HB1 LYS 66 -2.912 6.388 -5.142 506 1HG LYS 66 HG2 LYS 66 -3.581 5.046 -6.823 507 2HG LYS 66 HG1 LYS 66 -4.577 4.344 -5.577 508 1HD LYS 66 HD2 LYS 66 -6.309 4.763 -6.986 509 2HD LYS 66 HD1 LYS 66 -6.128 6.438 -6.468 510 1HE LYS 66 HE2 LYS 66 -4.192 6.248 -8.403 511 2HE LYS 66 HE1 LYS 66 -5.450 5.191 -9.048 512 1HZ LYS 66 HZ1 LYS 66 -6.557 7.576 -7.966 513 2HZ LYS 66 HZ2 LYS 66 -6.712 6.931 -9.530 514 3HZ LYS 66 HZ3 LYS 66 -5.396 7.936 -9.149 515 H GLU 67 HN GLU 67 -2.903 7.491 -2.728 516 HA GLU 67 HA GLU 67 -4.664 9.835 -2.326 517 1HB GLU 67 HB2 GLU 67 -3.376 8.165 -0.278 518 2HB GLU 67 HB1 GLU 67 -3.359 9.885 -0.009 519 1HG GLU 67 HG2 GLU 67 -5.807 8.181 -0.531 520 2HG GLU 67 HG1 GLU 67 -5.364 8.913 1.012 521 H THR 68 HN THR 68 -3.589 11.399 -3.421 522 HA THR 68 HA THR 68 -0.677 11.768 -2.855 523 HB THR 68 HB THR 68 -0.152 12.061 -5.156 524 HG1 THR 68 HG1 THR 68 -2.762 11.670 -6.031 525 1HG2 THR 68 HG21 THR 68 -1.003 9.662 -4.243 526 2HG2 THR 68 HG22 THR 68 -0.374 9.901 -5.874 527 3HG2 THR 68 HG23 THR 68 -2.115 9.880 -5.595 528 H ASP 69 HN ASP 69 -3.105 13.043 -1.828 529 HA ASP 69 HA ASP 69 -3.367 15.614 -3.181 530 1HB ASP 69 HB2 ASP 69 -4.266 14.785 -0.415 531 2HB ASP 69 HB1 ASP 69 -4.814 16.215 -1.294 532 H GLY 70 HN GLY 70 -0.890 14.419 -1.542 533 1HA GLY 70 HA2 GLY 70 0.910 16.212 -1.276 534 2HA GLY 70 HA1 GLY 70 -0.210 16.901 -0.130 535 H LEU 71 HN LEU 71 2.417 15.251 -0.253 536 HA LEU 71 HA LEU 71 2.450 12.928 1.108 537 1HB LEU 71 HB2 LEU 71 4.169 15.330 1.746 538 2HB LEU 71 HB1 LEU 71 4.487 13.709 2.328 539 HG LEU 71 HG LEU 71 4.036 14.019 -0.567 540 1HD1 LEU 71 HD11 LEU 71 6.236 15.298 0.942 541 2HD1 LEU 71 HD12 LEU 71 5.608 15.678 -0.661 542 3HD1 LEU 71 HD13 LEU 71 6.734 14.337 -0.450 543 1HD2 LEU 71 HD21 LEU 71 5.696 12.321 1.280 544 2HD2 LEU 71 HD22 LEU 71 5.995 12.333 -0.457 545 3HD2 LEU 71 HD23 LEU 71 4.430 11.810 0.166 546 HA PRO 72 HA PRO 72 3.375 11.892 2.522 547 1HB PRO 72 HB2 PRO 72 2.420 9.873 4.085 548 2HB PRO 72 HB1 PRO 72 3.668 11.005 4.644 549 1HG PRO 72 HG2 PRO 72 0.776 10.899 5.332 550 2HG PRO 72 HG1 PRO 72 2.132 11.472 6.323 551 1HD PRO 72 HD2 PRO 72 0.308 13.116 4.924 552 2HD PRO 72 HD1 PRO 72 1.885 13.638 5.557 553 H TYR 73 HN TYR 73 2.783 10.266 1.052 554 HA TYR 73 HA TYR 73 0.163 10.364 -0.110 555 1HB TYR 73 HB2 TYR 73 2.038 8.112 -0.550 556 2HB TYR 73 HB1 TYR 73 0.933 8.852 -1.698 557 HD1 TYR 73 HD1 TYR 73 4.191 8.710 -0.417 558 HD2 TYR 73 HD2 TYR 73 1.447 11.306 -2.398 559 HE1 TYR 73 HE1 TYR 73 6.101 10.037 -1.252 560 HE2 TYR 73 HE2 TYR 73 3.323 12.693 -3.218 561 HH TYR 73 HH TYR 73 5.540 12.941 -3.284 562 H ARG 74 HN ARG 74 -1.191 8.358 -0.442 563 HA ARG 74 HA ARG 74 -0.774 6.242 1.509 564 1HB ARG 74 HB2 ARG 74 -3.071 8.156 1.601 565 2HB ARG 74 HB1 ARG 74 -3.321 6.458 2.031 566 1HG ARG 74 HG2 ARG 74 -2.003 6.561 3.865 567 2HG ARG 74 HG1 ARG 74 -0.956 7.782 3.185 568 1HD ARG 74 HD2 ARG 74 -3.784 8.272 4.155 569 2HD ARG 74 HD1 ARG 74 -2.326 8.681 5.059 570 HE ARG 74 HE ARG 74 -1.939 9.986 2.672 571 1HH1 ARG 74 HH21 ARG 74 -3.112 10.903 5.520 572 2HH1 ARG 74 HH22 ARG 74 -4.326 11.998 4.948 573 1HH2 ARG 74 HH11 ARG 74 -4.123 10.921 1.657 574 2HH2 ARG 74 HH12 ARG 74 -4.898 12.008 2.761 575 H TYR 75 HN TYR 75 -1.918 4.364 0.906 576 HA TYR 75 HA TYR 75 -3.431 4.468 -1.593 577 1HB TYR 75 HB2 TYR 75 -1.231 2.504 -1.604 578 2HB TYR 75 HB1 TYR 75 -2.003 3.339 -2.951 579 HD1 TYR 75 HD1 TYR 75 -1.518 5.907 -3.160 580 HD2 TYR 75 HD2 TYR 75 0.737 3.207 -0.779 581 HE1 TYR 75 HE1 TYR 75 0.407 7.468 -3.258 582 HE2 TYR 75 HE2 TYR 75 2.691 4.755 -0.839 583 HH TYR 75 HH TYR 75 2.527 7.800 -2.692 584 H LEU 76 HN LEU 76 -5.090 2.995 -1.311 585 HA LEU 76 HA LEU 76 -4.746 1.069 0.793 586 1HB LEU 76 HB2 LEU 76 -6.939 2.160 0.581 587 2HB LEU 76 HB1 LEU 76 -7.108 1.505 -1.034 588 HG LEU 76 HG LEU 76 -6.705 -0.778 0.021 589 1HD1 LEU 76 HD11 LEU 76 -7.768 0.259 2.565 590 2HD1 LEU 76 HD12 LEU 76 -6.087 0.678 2.235 591 3HD1 LEU 76 HD13 LEU 76 -6.584 -1.014 2.273 592 1HD2 LEU 76 HD21 LEU 76 -9.199 -0.075 1.193 593 2HD2 LEU 76 HD22 LEU 76 -8.881 -0.923 -0.320 594 3HD2 LEU 76 HD23 LEU 76 -8.983 0.837 -0.299 595 H ILE 77 HN ILE 77 -4.910 -1.301 0.214 596 HA ILE 77 HA ILE 77 -4.832 -1.820 -2.680 597 HB ILE 77 HB ILE 77 -2.739 -2.842 -0.754 598 1HG1 ILE 77 HG12 ILE 77 -2.850 -0.458 -2.580 599 2HG1 ILE 77 HG11 ILE 77 -2.251 -0.557 -0.930 600 1HG2 ILE 77 HG21 ILE 77 -3.546 -3.883 -3.172 601 2HG2 ILE 77 HG22 ILE 77 -1.942 -4.095 -2.479 602 3HG2 ILE 77 HG23 ILE 77 -2.229 -2.815 -3.659 603 1HD1 ILE 77 HD11 ILE 77 -0.277 -1.749 -1.645 604 2HD1 ILE 77 HD12 ILE 77 -0.443 -0.324 -2.668 605 3HD1 ILE 77 HD13 ILE 77 -0.906 -1.908 -3.286 606 H ARG 78 HN ARG 78 -6.569 -3.208 -2.847 607 HA ARG 78 HA ARG 78 -7.280 -5.005 -0.681 608 1HB ARG 78 HB2 ARG 78 -9.050 -4.335 -2.141 609 2HB ARG 78 HB1 ARG 78 -8.138 -4.806 -3.574 610 1HG ARG 78 HG2 ARG 78 -8.205 -7.185 -2.742 611 2HG ARG 78 HG1 ARG 78 -9.297 -6.647 -1.465 612 1HD ARG 78 HD2 ARG 78 -11.059 -6.569 -2.876 613 2HD ARG 78 HD1 ARG 78 -10.131 -5.700 -4.099 614 HE ARG 78 HE ARG 78 -9.217 -7.966 -4.778 615 1HH1 ARG 78 HH11 ARG 78 -12.439 -7.313 -4.128 616 2HH1 ARG 78 HH12 ARG 78 -12.964 -8.964 -4.147 617 1HH2 ARG 78 HH21 ARG 78 -9.751 -10.260 -4.310 618 2HH2 ARG 78 HH22 ARG 78 -11.442 -10.632 -4.250 619 H LYS 79 HN LYS 79 -5.888 -6.637 -0.151 620 HA LYS 79 HA LYS 79 -3.959 -7.832 -1.881 621 1HB LYS 79 HB2 LYS 79 -4.109 -7.957 0.677 622 2HB LYS 79 HB1 LYS 79 -5.268 -9.263 0.432 623 1HG LYS 79 HG2 LYS 79 -2.693 -9.388 -1.076 624 2HG LYS 79 HG1 LYS 79 -2.650 -9.749 0.650 625 1HD LYS 79 HD2 LYS 79 -4.142 -11.567 0.428 626 2HD LYS 79 HD1 LYS 79 -4.691 -11.033 -1.162 627 1HE LYS 79 HE2 LYS 79 -3.221 -12.619 -1.902 628 2HE LYS 79 HE1 LYS 79 -2.040 -11.333 -1.655 629 1HZ LYS 79 HZ1 LYS 79 -2.788 -13.279 0.451 630 2HZ LYS 79 HZ2 LYS 79 -1.490 -12.184 0.466 631 3HZ LYS 79 HZ3 LYS 79 -1.477 -13.507 -0.599 632 H GLY 80 HN GLY 80 -4.106 -9.524 -3.302 633 1HA GLY 80 HA2 GLY 80 -6.407 -11.328 -3.305 634 2HA GLY 80 HA1 GLY 80 -6.376 -10.212 -4.673 635 H GLY 81 HN GLY 81 -6.174 -12.492 -5.733 636 1HA GLY 81 HA2 GLY 81 -3.836 -12.816 -7.103 637 2HA GLY 81 HA1 GLY 81 -3.492 -13.676 -5.601 Start of MODEL 20 1 1H MET 1 HT1 MET 1 -22.903 8.036 0.348 2 2H MET 1 HT2 MET 1 -22.854 7.268 1.862 3 3H MET 1 HT3 MET 1 -22.435 6.409 0.457 4 HA MET 1 HA MET 1 -20.638 8.237 0.191 5 1HB MET 1 HB2 MET 1 -21.054 8.208 3.193 6 2HB MET 1 HB1 MET 1 -19.885 9.169 2.284 7 1HG MET 1 HG2 MET 1 -22.904 9.423 2.155 8 2HG MET 1 HG1 MET 1 -21.787 10.576 2.885 9 1HE MET 1 HE1 MET 1 -19.426 11.405 0.732 10 2HE MET 1 HE2 MET 1 -20.440 11.960 2.061 11 3HE MET 1 HE3 MET 1 -20.545 12.754 0.491 12 H THR 2 HN THR 2 -19.499 6.432 -0.508 13 HA THR 2 HA THR 2 -18.757 4.424 1.580 14 HB THR 2 HB THR 2 -18.300 2.891 -0.294 15 HG1 THR 2 HG1 THR 2 -19.114 5.126 -1.833 16 1HG2 THR 2 HG21 THR 2 -20.620 2.631 -1.092 17 2HG2 THR 2 HG22 THR 2 -21.001 4.250 -0.503 18 3HG2 THR 2 HG23 THR 2 -20.578 2.973 0.638 19 H ASP 3 HN ASP 3 -16.797 4.996 2.413 20 HA ASP 3 HA ASP 3 -14.813 6.385 0.744 21 1HB ASP 3 HB2 ASP 3 -15.145 6.982 3.143 22 2HB ASP 3 HB1 ASP 3 -14.579 5.373 3.594 23 H LEU 4 HN LEU 4 -13.139 5.383 -0.288 24 HA LEU 4 HA LEU 4 -13.010 2.489 -0.349 25 1HB LEU 4 HB2 LEU 4 -11.124 4.601 -1.441 26 2HB LEU 4 HB1 LEU 4 -11.003 2.875 -1.790 27 HG LEU 4 HG LEU 4 -13.431 4.593 -2.385 28 1HD1 LEU 4 HD11 LEU 4 -11.772 3.345 -4.524 29 2HD1 LEU 4 HD12 LEU 4 -11.106 4.767 -3.724 30 3HD1 LEU 4 HD13 LEU 4 -12.667 4.864 -4.539 31 1HD2 LEU 4 HD21 LEU 4 -14.127 2.332 -2.044 32 2HD2 LEU 4 HD22 LEU 4 -12.718 1.695 -2.893 33 3HD2 LEU 4 HD23 LEU 4 -13.989 2.524 -3.792 34 H PHE 5 HN PHE 5 -11.241 5.028 1.329 35 HA PHE 5 HA PHE 5 -9.240 3.122 2.342 36 1HB PHE 5 HB2 PHE 5 -9.663 6.073 2.484 37 2HB PHE 5 HB1 PHE 5 -8.720 5.316 3.767 38 HD1 PHE 5 HD1 PHE 5 -6.735 6.610 2.922 39 HD2 PHE 5 HD2 PHE 5 -8.726 3.662 0.530 40 HE1 PHE 5 HE1 PHE 5 -4.787 6.475 1.403 41 HE2 PHE 5 HE2 PHE 5 -6.749 3.555 -0.955 42 HZ PHE 5 HZ PHE 5 -4.784 5.013 -0.549 43 H SER 6 HN SER 6 -12.295 3.194 3.019 44 HA SER 6 HA SER 6 -12.781 3.859 5.677 45 1HB SER 6 HB2 SER 6 -13.667 1.375 4.180 46 2HB SER 6 HB1 SER 6 -14.342 1.891 5.724 47 HG SER 6 HG SER 6 -15.590 2.693 4.024 48 H SER 7 HN SER 7 -12.971 2.084 7.525 49 HA SER 7 HA SER 7 -10.443 1.420 8.447 50 1HB SER 7 HB2 SER 7 -13.100 0.803 9.186 51 2HB SER 7 HB1 SER 7 -12.167 -0.684 9.242 52 HG SER 7 HG SER 7 -12.125 1.418 10.911 53 HA PRO 8 HA PRO 8 -9.550 -1.664 5.272 54 1HB PRO 8 HB2 PRO 8 -6.829 -1.512 5.610 55 2HB PRO 8 HB1 PRO 8 -7.757 -0.393 4.598 56 1HG PRO 8 HG2 PRO 8 -6.573 0.061 7.302 57 2HG PRO 8 HG1 PRO 8 -6.896 1.227 6.008 58 1HD PRO 8 HD2 PRO 8 -8.481 0.855 8.309 59 2HD PRO 8 HD1 PRO 8 -8.976 1.718 6.838 60 H ASP 9 HN ASP 9 -8.273 -3.763 5.413 61 HA ASP 9 HA ASP 9 -8.721 -4.988 8.041 62 1HB ASP 9 HB2 ASP 9 -7.732 -6.055 5.385 63 2HB ASP 9 HB1 ASP 9 -7.834 -7.053 6.836 64 H HIS 10 HN HIS 10 -6.063 -3.685 6.215 65 HA HIS 10 HA HIS 10 -4.256 -4.305 8.491 66 1HB HIS 10 HB2 HIS 10 -3.893 -5.101 5.613 67 2HB HIS 10 HB1 HIS 10 -2.491 -4.778 6.624 68 HD1 HIS 10 HD1 HIS 10 -1.689 -6.731 7.970 69 HD2 HIS 10 HD2 HIS 10 -5.710 -7.113 6.935 70 HE1 HIS 10 HE1 HIS 10 -2.436 -8.996 8.825 71 H THR 11 HN THR 11 -2.106 -3.011 8.117 72 HA THR 11 HA THR 11 -2.532 -0.574 6.487 73 HB THR 11 HB THR 11 -1.802 -0.487 9.413 74 HG1 THR 11 HG1 THR 11 -3.985 -1.034 9.100 75 1HG2 THR 11 HG21 THR 11 -2.461 1.699 7.417 76 2HG2 THR 11 HG22 THR 11 -0.856 1.339 8.054 77 3HG2 THR 11 HG23 THR 11 -2.114 1.950 9.129 78 H LEU 12 HN LEU 12 -0.500 0.659 6.268 79 HA LEU 12 HA LEU 12 1.974 -0.775 7.082 80 1HB LEU 12 HB2 LEU 12 1.685 -1.709 4.900 81 2HB LEU 12 HB1 LEU 12 1.173 -0.159 4.236 82 HG LEU 12 HG LEU 12 3.400 0.758 4.341 83 1HD1 LEU 12 HD11 LEU 12 3.914 -1.580 6.198 84 2HD1 LEU 12 HD12 LEU 12 4.121 0.139 6.520 85 3HD1 LEU 12 HD13 LEU 12 5.232 -0.691 5.437 86 1HD2 LEU 12 HD21 LEU 12 3.372 -2.146 3.504 87 2HD2 LEU 12 HD22 LEU 12 4.814 -1.146 3.332 88 3HD2 LEU 12 HD23 LEU 12 3.330 -0.704 2.490 89 H ASP 13 HN ASP 13 3.016 0.883 8.164 90 HA ASP 13 HA ASP 13 2.701 3.660 7.267 91 1HB ASP 13 HB2 ASP 13 3.057 3.204 9.662 92 2HB ASP 13 HB1 ASP 13 4.589 2.408 9.299 93 H ALA 14 HN ALA 14 4.246 4.790 5.966 94 HA ALA 14 HA ALA 14 6.747 3.348 5.338 95 1HB ALA 14 HB1 ALA 14 6.322 2.857 3.189 96 2HB ALA 14 HB2 ALA 14 5.445 4.363 2.915 97 3HB ALA 14 HB3 ALA 14 4.631 2.989 3.666 98 H LEU 15 HN LEU 15 5.612 5.756 6.615 99 HA LEU 15 HA LEU 15 6.724 8.046 5.236 100 1HB LEU 15 HB2 LEU 15 6.018 7.889 8.154 101 2HB LEU 15 HB1 LEU 15 5.969 9.257 7.062 102 HG LEU 15 HG LEU 15 4.185 6.864 6.709 103 1HD1 LEU 15 HD11 LEU 15 4.050 8.936 8.697 104 2HD1 LEU 15 HD12 LEU 15 2.921 7.613 8.412 105 3HD1 LEU 15 HD13 LEU 15 2.720 9.142 7.557 106 1HD2 LEU 15 HD21 LEU 15 3.833 7.910 4.741 107 2HD2 LEU 15 HD22 LEU 15 4.761 9.320 5.255 108 3HD2 LEU 15 HD23 LEU 15 3.052 9.189 5.667 109 H GLY 16 HN GLY 16 8.865 7.955 5.050 110 1HA GLY 16 HA2 GLY 16 11.072 8.289 6.026 111 2HA GLY 16 HA1 GLY 16 10.496 7.484 7.494 112 H LEU 17 HN LEU 17 9.148 5.713 5.150 113 HA LEU 17 HA LEU 17 11.263 3.659 5.211 114 1HB LEU 17 HB2 LEU 17 8.398 3.627 4.212 115 2HB LEU 17 HB1 LEU 17 9.494 2.255 4.118 116 HG LEU 17 HG LEU 17 8.130 3.437 6.484 117 1HD1 LEU 17 HD11 LEU 17 7.623 1.251 5.190 118 2HD1 LEU 17 HD12 LEU 17 7.718 1.144 6.949 119 3HD1 LEU 17 HD13 LEU 17 9.079 0.619 5.957 120 1HD2 LEU 17 HD21 LEU 17 10.835 2.087 6.563 121 2HD2 LEU 17 HD22 LEU 17 9.804 2.357 7.970 122 3HD2 LEU 17 HD23 LEU 17 10.468 3.731 7.085 123 H ARG 18 HN ARG 18 12.119 2.870 3.238 124 HA ARG 18 HA ARG 18 11.183 4.303 0.823 125 1HB ARG 18 HB2 ARG 18 13.643 4.697 0.210 126 2HB ARG 18 HB1 ARG 18 12.898 5.737 1.425 127 1HG ARG 18 HG2 ARG 18 14.130 3.284 2.504 128 2HG ARG 18 HG1 ARG 18 15.271 4.421 1.790 129 1HD ARG 18 HD2 ARG 18 13.359 5.882 3.360 130 2HD ARG 18 HD1 ARG 18 14.035 4.582 4.341 131 HE ARG 18 HE ARG 18 16.310 5.570 3.386 132 1HH1 ARG 18 HH11 ARG 18 14.796 7.995 2.363 133 2HH1 ARG 18 HH12 ARG 18 15.020 9.113 3.668 134 1HH2 ARG 18 HH21 ARG 18 16.027 6.681 5.927 135 2HH2 ARG 18 HH22 ARG 18 15.717 8.368 5.686 136 H CYS 19 HN CYS 19 11.635 3.180 -1.088 137 HA CYS 19 HA CYS 19 11.492 0.395 -1.006 138 1HB CYS 19 HB2 CYS 19 11.080 1.471 -3.077 139 2HB CYS 19 HB1 CYS 19 12.683 2.200 -3.114 140 HG CYS 19 HG CYS 19 12.569 -0.004 -4.645 141 HA PRO 20 HA PRO 20 11.920 -1.379 -1.697 142 1HB PRO 20 HB2 PRO 20 12.800 -3.789 -0.762 143 2HB PRO 20 HB1 PRO 20 13.329 -3.111 -2.312 144 1HG PRO 20 HG2 PRO 20 14.836 -3.340 0.243 145 2HG PRO 20 HG1 PRO 20 15.452 -3.229 -1.411 146 1HD PRO 20 HD2 PRO 20 15.319 -1.127 0.515 147 2HD PRO 20 HD1 PRO 20 15.772 -0.979 -1.196 148 H GLU 21 HN GLU 21 12.993 -0.468 1.312 149 HA GLU 21 HA GLU 21 11.931 -2.232 3.172 150 1HB GLU 21 HB2 GLU 21 12.328 0.694 3.228 151 2HB GLU 21 HB1 GLU 21 11.541 -0.086 4.590 152 1HG GLU 21 HG2 GLU 21 13.747 -1.714 4.000 153 2HG GLU 21 HG1 GLU 21 14.355 -0.063 3.865 154 HA PRO 22 HA PRO 22 7.699 -0.066 3.185 155 1HB PRO 22 HB2 PRO 22 7.078 1.276 0.861 156 2HB PRO 22 HB1 PRO 22 7.745 2.050 2.294 157 1HG PRO 22 HG2 PRO 22 9.100 1.362 -0.267 158 2HG PRO 22 HG1 PRO 22 9.464 2.663 0.880 159 1HD PRO 22 HD2 PRO 22 10.891 0.278 0.668 160 2HD PRO 22 HD1 PRO 22 10.928 1.346 2.077 161 H VAL 23 HN VAL 23 8.459 -0.537 -0.243 162 HA VAL 23 HA VAL 23 6.322 -2.199 -0.969 163 HB VAL 23 HB VAL 23 9.244 -2.309 -1.744 164 1HG1 VAL 23 HG11 VAL 23 6.892 -3.946 -2.643 165 2HG1 VAL 23 HG12 VAL 23 8.557 -4.453 -2.352 166 3HG1 VAL 23 HG13 VAL 23 8.154 -3.541 -3.806 167 1HG2 VAL 23 HG21 VAL 23 8.661 -0.940 -3.547 168 2HG2 VAL 23 HG22 VAL 23 7.593 -0.323 -2.286 169 3HG2 VAL 23 HG23 VAL 23 6.970 -1.437 -3.503 170 H MET 24 HN MET 24 9.110 -2.837 1.060 171 HA MET 24 HA MET 24 8.842 -5.740 1.003 172 1HB MET 24 HB2 MET 24 10.373 -3.772 2.687 173 2HB MET 24 HB1 MET 24 10.285 -5.468 3.164 174 1HG MET 24 HG2 MET 24 10.999 -4.809 0.330 175 2HG MET 24 HG1 MET 24 12.230 -4.626 1.579 176 1HE MET 24 HE1 MET 24 10.724 -6.537 -0.899 177 2HE MET 24 HE2 MET 24 11.317 -8.187 -0.711 178 3HE MET 24 HE3 MET 24 12.463 -6.867 -0.925 179 H MET 25 HN MET 25 7.777 -3.166 3.211 180 HA MET 25 HA MET 25 6.707 -4.875 5.218 181 1HB MET 25 HB2 MET 25 6.077 -2.049 4.361 182 2HB MET 25 HB1 MET 25 5.181 -2.835 5.661 183 1HG MET 25 HG2 MET 25 7.903 -3.357 6.183 184 2HG MET 25 HG1 MET 25 7.815 -1.653 5.738 185 1HE MET 25 HE1 MET 25 7.274 -4.384 7.971 186 2HE MET 25 HE2 MET 25 6.672 -3.729 9.491 187 3HE MET 25 HE3 MET 25 8.278 -3.279 8.921 188 H VAL 26 HN VAL 26 5.217 -3.488 2.276 189 HA VAL 26 HA VAL 26 2.616 -4.629 2.769 190 HB VAL 26 HB VAL 26 3.984 -3.989 0.140 191 1HG1 VAL 26 HG11 VAL 26 1.614 -5.465 0.650 192 2HG1 VAL 26 HG12 VAL 26 2.171 -4.848 -0.905 193 3HG1 VAL 26 HG13 VAL 26 1.096 -3.875 0.095 194 1HG2 VAL 26 HG21 VAL 26 2.171 -2.091 0.333 195 2HG2 VAL 26 HG22 VAL 26 3.705 -1.928 1.186 196 3HG2 VAL 26 HG23 VAL 26 2.262 -2.451 2.057 197 H ARG 27 HN ARG 27 5.624 -5.891 1.541 198 HA ARG 27 HA ARG 27 4.611 -8.239 0.240 199 1HB ARG 27 HB2 ARG 27 7.204 -7.226 1.048 200 2HB ARG 27 HB1 ARG 27 7.057 -8.944 1.442 201 1HG ARG 27 HG2 ARG 27 6.064 -8.132 -1.230 202 2HG ARG 27 HG1 ARG 27 7.805 -8.065 -0.999 203 1HD ARG 27 HD2 ARG 27 7.896 -10.378 -0.370 204 2HD ARG 27 HD1 ARG 27 6.139 -10.479 -0.264 205 HE ARG 27 HE ARG 27 6.572 -9.746 -2.889 206 1HH1 ARG 27 HH11 ARG 27 5.565 -12.470 -2.084 207 2HH1 ARG 27 HH12 ARG 27 6.763 -13.510 -2.780 208 1HH2 ARG 27 HH21 ARG 27 9.080 -10.973 -3.242 209 2HH2 ARG 27 HH22 ARG 27 8.753 -12.663 -3.436 210 H LYS 28 HN LYS 28 6.105 -7.914 3.413 211 HA LYS 28 HA LYS 28 5.459 -10.498 4.396 212 1HB LYS 28 HB2 LYS 28 6.085 -7.871 5.739 213 2HB LYS 28 HB1 LYS 28 5.641 -9.285 6.696 214 1HG LYS 28 HG2 LYS 28 7.449 -10.551 5.395 215 2HG LYS 28 HG1 LYS 28 8.000 -8.972 4.833 216 1HD LYS 28 HD2 LYS 28 7.534 -9.085 7.733 217 2HD LYS 28 HD1 LYS 28 8.803 -10.178 7.178 218 1HE LYS 28 HE2 LYS 28 8.685 -7.276 6.335 219 2HE LYS 28 HE1 LYS 28 9.555 -7.808 7.775 220 1HZ LYS 28 HZ1 LYS 28 10.016 -9.013 5.111 221 2HZ LYS 28 HZ2 LYS 28 10.992 -9.122 6.498 222 3HZ LYS 28 HZ3 LYS 28 10.878 -7.655 5.648 223 H THR 29 HN THR 29 3.748 -7.434 4.607 224 HA THR 29 HA THR 29 1.527 -8.311 6.189 225 HB THR 29 HB THR 29 2.215 -6.087 4.347 226 HG1 THR 29 HG1 THR 29 1.430 -6.463 6.988 227 1HG2 THR 29 HG21 THR 29 -0.082 -6.767 3.615 228 2HG2 THR 29 HG22 THR 29 0.005 -5.138 4.278 229 3HG2 THR 29 HG23 THR 29 -0.642 -6.453 5.258 230 H VAL 30 HN VAL 30 2.325 -8.337 2.801 231 HA VAL 30 HA VAL 30 -0.215 -9.281 1.806 232 HB VAL 30 HB VAL 30 2.627 -9.197 0.778 233 1HG1 VAL 30 HG11 VAL 30 1.840 -10.119 -1.352 234 2HG1 VAL 30 HG12 VAL 30 0.258 -10.418 -0.632 235 3HG1 VAL 30 HG13 VAL 30 1.675 -11.287 -0.042 236 1HG2 VAL 30 HG21 VAL 30 0.431 -8.115 -0.849 237 2HG2 VAL 30 HG22 VAL 30 1.956 -7.364 -0.379 238 3HG2 VAL 30 HG23 VAL 30 0.585 -7.347 0.731 239 H ARG 31 HN ARG 31 2.626 -10.648 3.234 240 HA ARG 31 HA ARG 31 2.076 -13.425 2.548 241 1HB ARG 31 HB2 ARG 31 3.855 -12.199 4.681 242 2HB ARG 31 HB1 ARG 31 3.845 -13.905 4.235 243 1HG ARG 31 HG2 ARG 31 4.385 -13.152 1.851 244 2HG ARG 31 HG1 ARG 31 4.682 -11.558 2.522 245 1HD ARG 31 HD2 ARG 31 6.484 -13.739 2.412 246 2HD ARG 31 HD1 ARG 31 6.743 -12.163 3.153 247 HE ARG 31 HE ARG 31 5.627 -13.239 5.230 248 1HH1 ARG 31 HH21 ARG 31 6.203 -15.567 2.904 249 2HH1 ARG 31 HH22 ARG 31 7.177 -16.590 3.907 250 1HH2 ARG 31 HH11 ARG 31 7.386 -14.298 6.501 251 2HH2 ARG 31 HH12 ARG 31 7.847 -15.873 5.943 252 H ASN 32 HN ASN 32 1.292 -11.183 5.144 253 HA ASN 32 HA ASN 32 -0.027 -13.416 6.625 254 1HB ASN 32 HB2 ASN 32 0.167 -12.166 8.584 255 2HB ASN 32 HB1 ASN 32 1.619 -11.671 7.716 256 1HD2 ASN 32 HD21 ASN 32 -0.018 -10.124 9.734 257 2HD2 ASN 32 HD22 ASN 32 -0.456 -8.689 8.942 258 H MET 33 HN MET 33 -0.826 -11.535 4.190 259 HA MET 33 HA MET 33 -3.474 -10.696 5.257 260 1HB MET 33 HB2 MET 33 -1.777 -9.863 2.941 261 2HB MET 33 HB1 MET 33 -3.527 -9.756 2.756 262 1HG MET 33 HG2 MET 33 -3.335 -8.626 5.161 263 2HG MET 33 HG1 MET 33 -1.723 -8.238 4.589 264 1HE MET 33 HE1 MET 33 -5.059 -8.872 3.358 265 2HE MET 33 HE2 MET 33 -5.326 -7.775 2.004 266 3HE MET 33 HE3 MET 33 -5.767 -7.275 3.635 267 H GLN 34 HN GLN 34 -5.169 -10.916 3.289 268 HA GLN 34 HA GLN 34 -4.908 -13.637 2.102 269 1HB GLN 34 HB2 GLN 34 -7.326 -12.552 3.582 270 2HB GLN 34 HB1 GLN 34 -7.275 -14.083 2.708 271 1HG GLN 34 HG2 GLN 34 -5.225 -14.619 4.215 272 2HG GLN 34 HG1 GLN 34 -5.826 -13.309 5.232 273 1HE2 GLN 34 HE21 GLN 34 -6.160 -15.202 6.826 274 2HE2 GLN 34 HE22 GLN 34 -7.617 -16.067 6.717 275 HA PRO 35 HA PRO 35 -6.372 -11.548 -1.453 276 1HB PRO 35 HB2 PRO 35 -7.532 -13.668 -2.786 277 2HB PRO 35 HB1 PRO 35 -5.787 -13.386 -2.698 278 1HG PRO 35 HG2 PRO 35 -7.443 -15.391 -1.223 279 2HG PRO 35 HG1 PRO 35 -5.741 -15.483 -1.708 280 1HD PRO 35 HD2 PRO 35 -6.651 -14.893 0.887 281 2HD PRO 35 HD1 PRO 35 -5.016 -14.565 0.275 282 H GLY 36 HN GLY 36 -8.013 -10.231 -1.325 283 1HA GLY 36 HA2 GLY 36 -10.416 -9.826 -1.790 284 2HA GLY 36 HA1 GLY 36 -10.764 -11.251 -0.799 285 H GLU 37 HN GLU 37 -8.201 -9.085 0.086 286 HA GLU 37 HA GLU 37 -9.888 -8.036 2.326 287 1HB GLU 37 HB2 GLU 37 -7.180 -9.294 2.302 288 2HB GLU 37 HB1 GLU 37 -7.465 -7.976 3.431 289 1HG GLU 37 HG2 GLU 37 -8.005 -10.098 4.515 290 2HG GLU 37 HG1 GLU 37 -9.483 -9.167 4.274 291 H THR 38 HN THR 38 -8.312 -6.124 3.377 292 HA THR 38 HA THR 38 -7.369 -4.487 1.071 293 HB THR 38 HB THR 38 -8.455 -2.535 2.521 294 HG1 THR 38 HG1 THR 38 -9.207 -4.471 3.910 295 1HG2 THR 38 HG21 THR 38 -9.055 -2.789 0.249 296 2HG2 THR 38 HG22 THR 38 -10.581 -2.958 1.117 297 3HG2 THR 38 HG23 THR 38 -9.740 -4.391 0.524 298 H LEU 39 HN LEU 39 -5.780 -2.936 1.586 299 HA LEU 39 HA LEU 39 -4.672 -2.959 4.356 300 1HB LEU 39 HB2 LEU 39 -3.354 -4.639 3.258 301 2HB LEU 39 HB1 LEU 39 -3.199 -3.661 1.801 302 HG LEU 39 HG LEU 39 -2.115 -1.935 3.539 303 1HD1 LEU 39 HD11 LEU 39 -1.978 -4.627 4.833 304 2HD1 LEU 39 HD12 LEU 39 -2.194 -3.040 5.568 305 3HD1 LEU 39 HD13 LEU 39 -0.604 -3.532 4.992 306 1HD2 LEU 39 HD21 LEU 39 0.030 -2.672 2.763 307 2HD2 LEU 39 HD22 LEU 39 -1.115 -3.045 1.476 308 3HD2 LEU 39 HD23 LEU 39 -0.547 -4.325 2.547 309 H LEU 40 HN LEU 40 -4.600 -0.788 4.875 310 HA LEU 40 HA LEU 40 -4.357 1.213 2.722 311 1HB LEU 40 HB2 LEU 40 -5.975 1.705 4.471 312 2HB LEU 40 HB1 LEU 40 -4.753 1.477 5.721 313 HG LEU 40 HG LEU 40 -3.475 3.347 4.322 314 1HD1 LEU 40 HD11 LEU 40 -5.037 4.972 3.362 315 2HD1 LEU 40 HD12 LEU 40 -6.401 3.933 3.774 316 3HD1 LEU 40 HD13 LEU 40 -5.233 3.413 2.561 317 1HD2 LEU 40 HD21 LEU 40 -5.819 3.970 6.148 318 2HD2 LEU 40 HD22 LEU 40 -4.433 5.018 5.841 319 3HD2 LEU 40 HD23 LEU 40 -4.213 3.492 6.696 320 H ILE 41 HN ILE 41 -2.515 2.533 2.497 321 HA ILE 41 HA ILE 41 -0.239 1.876 4.313 322 HB ILE 41 HB ILE 41 0.067 2.234 1.332 323 1HG1 ILE 41 HG12 ILE 41 -0.671 -0.218 2.932 324 2HG1 ILE 41 HG11 ILE 41 -1.326 0.343 1.403 325 1HG2 ILE 41 HG21 ILE 41 2.257 1.958 1.787 326 2HG2 ILE 41 HG22 ILE 41 1.935 0.488 2.701 327 3HG2 ILE 41 HG23 ILE 41 1.857 2.055 3.500 328 1HD1 ILE 41 HD11 ILE 41 0.175 -1.644 1.150 329 2HD1 ILE 41 HD12 ILE 41 1.508 -0.659 1.751 330 3HD1 ILE 41 HD13 ILE 41 0.717 -0.238 0.232 331 H ILE 42 HN ILE 42 1.297 3.557 4.579 332 HA ILE 42 HA ILE 42 0.539 6.180 3.414 333 HB ILE 42 HB ILE 42 1.806 5.718 6.127 334 1HG1 ILE 42 HG12 ILE 42 -1.045 5.812 5.239 335 2HG1 ILE 42 HG11 ILE 42 -0.314 4.922 6.574 336 1HG2 ILE 42 HG21 ILE 42 1.741 8.018 6.376 337 2HG2 ILE 42 HG22 ILE 42 0.345 8.199 5.316 338 3HG2 ILE 42 HG23 ILE 42 1.942 7.932 4.629 339 1HD1 ILE 42 HD11 ILE 42 -1.177 7.786 6.453 340 2HD1 ILE 42 HD12 ILE 42 0.115 7.309 7.557 341 3HD1 ILE 42 HD13 ILE 42 -1.485 6.582 7.705 342 H ALA 43 HN ALA 43 2.422 7.491 2.961 343 HA ALA 43 HA ALA 43 5.058 6.336 3.377 344 1HB ALA 43 HB1 ALA 43 3.753 5.287 1.234 345 2HB ALA 43 HB2 ALA 43 5.504 5.475 1.310 346 3HB ALA 43 HB3 ALA 43 4.521 6.686 0.485 347 H ASP 44 HN ASP 44 6.423 8.006 3.524 348 HA ASP 44 HA ASP 44 5.572 10.564 2.278 349 1HB ASP 44 HB2 ASP 44 7.035 11.714 3.822 350 2HB ASP 44 HB1 ASP 44 6.011 10.637 4.760 351 H ASP 45 HN ASP 45 7.836 7.955 2.372 352 HA ASP 45 HA ASP 45 9.986 9.186 0.943 353 1HB ASP 45 HB2 ASP 45 10.464 7.112 1.827 354 2HB ASP 45 HB1 ASP 45 8.922 6.451 1.324 355 HA PRO 46 HA PRO 46 7.908 9.827 -2.906 356 1HB PRO 46 HB2 PRO 46 10.143 10.282 -4.439 357 2HB PRO 46 HB1 PRO 46 9.466 11.476 -3.319 358 1HG PRO 46 HG2 PRO 46 11.918 9.808 -3.030 359 2HG PRO 46 HG1 PRO 46 11.532 11.371 -2.291 360 1HD PRO 46 HD2 PRO 46 11.386 8.844 -1.016 361 2HD PRO 46 HD1 PRO 46 10.719 10.364 -0.400 362 H ALA 47 HN ALA 47 10.277 7.377 -2.405 363 HA ALA 47 HA ALA 47 9.845 6.126 -5.046 364 1HB ALA 47 HB1 ALA 47 11.516 5.359 -2.641 365 2HB ALA 47 HB2 ALA 47 12.084 5.947 -4.202 366 3HB ALA 47 HB3 ALA 47 11.376 4.338 -4.070 367 H THR 48 HN THR 48 8.136 6.196 -2.198 368 HA THR 48 HA THR 48 7.347 3.354 -2.229 369 HB THR 48 HB THR 48 5.663 4.256 -0.468 370 HG1 THR 48 HG1 THR 48 7.077 6.299 0.291 371 1HG2 THR 48 HG21 THR 48 7.191 3.443 0.962 372 2HG2 THR 48 HG22 THR 48 8.229 4.846 0.720 373 3HG2 THR 48 HG23 THR 48 8.356 3.460 -0.361 374 H THR 49 HN THR 49 5.948 6.523 -3.012 375 HA THR 49 HA THR 49 3.328 5.686 -3.664 376 HB THR 49 HB THR 49 3.052 7.741 -4.690 377 HG1 THR 49 HG1 THR 49 4.181 8.155 -6.389 378 1HG2 THR 49 HG21 THR 49 5.712 8.623 -3.738 379 2HG2 THR 49 HG22 THR 49 4.698 7.826 -2.536 380 3HG2 THR 49 HG23 THR 49 4.112 9.265 -3.370 381 H ARG 50 HN ARG 50 6.334 5.484 -5.481 382 HA ARG 50 HA ARG 50 4.856 4.339 -7.791 383 1HB ARG 50 HB2 ARG 50 7.694 5.246 -7.374 384 2HB ARG 50 HB1 ARG 50 7.217 4.335 -8.806 385 1HG ARG 50 HG2 ARG 50 5.789 6.032 -9.573 386 2HG ARG 50 HG1 ARG 50 5.652 6.767 -7.975 387 1HD ARG 50 HD2 ARG 50 8.302 7.039 -8.324 388 2HD ARG 50 HD1 ARG 50 7.804 7.054 -10.015 389 HE ARG 50 HE ARG 50 7.625 9.304 -8.455 390 1HH1 ARG 50 HH21 ARG 50 6.152 8.436 -11.155 391 2HH1 ARG 50 HH22 ARG 50 4.585 9.092 -10.816 392 1HH2 ARG 50 HH11 ARG 50 5.243 9.621 -7.452 393 2HH2 ARG 50 HH12 ARG 50 4.071 9.763 -8.719 394 H ASP 51 HN ASP 51 7.301 3.342 -5.432 395 HA ASP 51 HA ASP 51 7.584 0.723 -6.698 396 1HB ASP 51 HB2 ASP 51 8.615 1.704 -4.023 397 2HB ASP 51 HB1 ASP 51 9.153 0.259 -4.884 398 H ILE 52 HN ILE 52 6.226 1.818 -3.561 399 HA ILE 52 HA ILE 52 5.544 -0.699 -2.559 400 HB ILE 52 HB ILE 52 4.474 2.039 -2.171 401 1HG1 ILE 52 HG12 ILE 52 5.525 -0.190 -0.426 402 2HG1 ILE 52 HG11 ILE 52 6.338 1.316 -0.853 403 1HG2 ILE 52 HG21 ILE 52 2.750 1.124 -0.560 404 2HG2 ILE 52 HG22 ILE 52 3.004 -0.463 -1.288 405 3HG2 ILE 52 HG23 ILE 52 2.360 0.861 -2.259 406 1HD1 ILE 52 HD11 ILE 52 5.319 1.313 1.454 407 2HD1 ILE 52 HD12 ILE 52 3.735 1.199 0.687 408 3HD1 ILE 52 HD13 ILE 52 4.748 2.616 0.410 409 HA PRO 53 HA PRO 53 1.435 -0.654 -4.883 410 1HB PRO 53 HB2 PRO 53 1.273 1.028 -7.048 411 2HB PRO 53 HB1 PRO 53 0.663 1.407 -5.427 412 1HG PRO 53 HG2 PRO 53 3.090 2.433 -6.821 413 2HG PRO 53 HG1 PRO 53 2.140 3.181 -5.526 414 1HD PRO 53 HD2 PRO 53 4.620 1.869 -5.207 415 2HD PRO 53 HD1 PRO 53 3.503 2.310 -3.896 416 H GLY 54 HN GLY 54 4.051 0.342 -7.118 417 1HA GLY 54 HA2 GLY 54 3.511 -1.464 -9.190 418 2HA GLY 54 HA1 GLY 54 5.157 -0.987 -8.737 419 H PHE 55 HN PHE 55 4.669 -2.068 -5.948 420 HA PHE 55 HA PHE 55 5.515 -4.805 -6.551 421 1HB PHE 55 HB2 PHE 55 6.589 -4.120 -4.622 422 2HB PHE 55 HB1 PHE 55 5.234 -3.123 -4.094 423 HD1 PHE 55 HD1 PHE 55 5.353 -6.737 -5.086 424 HD2 PHE 55 HD2 PHE 55 4.625 -3.893 -1.961 425 HE1 PHE 55 HE1 PHE 55 4.528 -8.552 -3.632 426 HE2 PHE 55 HE2 PHE 55 3.801 -5.722 -0.519 427 HZ PHE 55 HZ PHE 55 3.739 -8.046 -1.349 428 H CYS 56 HN CYS 56 2.692 -3.365 -4.829 429 HA CYS 56 HA CYS 56 1.314 -5.769 -4.369 430 1HB CYS 56 HB2 CYS 56 0.367 -2.974 -4.973 431 2HB CYS 56 HB1 CYS 56 -0.771 -4.282 -4.642 432 HG CYS 56 HG CYS 56 -0.268 -3.454 -2.290 433 H THR 57 HN THR 57 1.489 -3.849 -7.335 434 HA THR 57 HA THR 57 -0.502 -5.291 -8.789 435 HB THR 57 HB THR 57 2.025 -4.048 -9.915 436 HG1 THR 57 HG1 THR 57 0.509 -2.763 -8.503 437 1HG2 THR 57 HG21 THR 57 -0.003 -5.530 -11.128 438 2HG2 THR 57 HG22 THR 57 1.137 -4.461 -11.945 439 3HG2 THR 57 HG23 THR 57 -0.442 -3.852 -11.449 440 H PHE 58 HN PHE 58 2.963 -5.880 -8.300 441 HA PHE 58 HA PHE 58 3.171 -8.082 -10.124 442 1HB PHE 58 HB2 PHE 58 5.055 -6.743 -8.967 443 2HB PHE 58 HB1 PHE 58 4.804 -7.828 -7.600 444 HD1 PHE 58 HD1 PHE 58 6.381 -7.419 -10.793 445 HD2 PHE 58 HD2 PHE 58 4.855 -10.370 -8.071 446 HE1 PHE 58 HE1 PHE 58 7.738 -9.162 -11.923 447 HE2 PHE 58 HE2 PHE 58 6.212 -12.113 -9.200 448 HZ PHE 58 HZ PHE 58 7.653 -11.508 -11.125 449 H MET 59 HN MET 59 2.199 -7.905 -6.713 450 HA MET 59 HA MET 59 2.155 -10.809 -6.444 451 1HB MET 59 HB2 MET 59 1.554 -8.508 -4.714 452 2HB MET 59 HB1 MET 59 0.771 -10.027 -4.314 453 1HG MET 59 HG2 MET 59 3.736 -9.822 -4.844 454 2HG MET 59 HG1 MET 59 3.049 -9.630 -3.230 455 1HE MET 59 HE1 MET 59 4.460 -11.452 -5.721 456 2HE MET 59 HE2 MET 59 3.188 -12.525 -6.301 457 3HE MET 59 HE3 MET 59 4.448 -13.155 -5.243 458 H GLU 60 HN GLU 60 0.177 -8.842 -8.154 459 HA GLU 60 HA GLU 60 -1.899 -9.368 -9.158 460 1HB GLU 60 HB2 GLU 60 -1.144 -11.803 -8.020 461 2HB GLU 60 HB1 GLU 60 -2.753 -11.499 -7.367 462 1HG GLU 60 HG2 GLU 60 -3.670 -11.215 -9.592 463 2HG GLU 60 HG1 GLU 60 -2.063 -11.304 -10.312 464 H HIS 61 HN HIS 61 -1.410 -7.754 -6.612 465 HA HIS 61 HA HIS 61 -4.043 -7.966 -5.293 466 1HB HIS 61 HB2 HIS 61 -1.698 -6.127 -4.716 467 2HB HIS 61 HB1 HIS 61 -3.104 -6.390 -3.690 468 HD1 HIS 61 HD1 HIS 61 -2.819 -9.575 -4.794 469 HD2 HIS 61 HD2 HIS 61 -0.273 -7.331 -2.379 470 HE1 HIS 61 HE1 HIS 61 -1.398 -11.228 -3.532 471 H GLU 62 HN GLU 62 -5.033 -5.658 -4.823 472 HA GLU 62 HA GLU 62 -4.901 -4.111 -7.379 473 1HB GLU 62 HB2 GLU 62 -7.180 -5.121 -5.777 474 2HB GLU 62 HB1 GLU 62 -7.366 -3.534 -6.504 475 1HG GLU 62 HG2 GLU 62 -6.190 -5.458 -8.363 476 2HG GLU 62 HG1 GLU 62 -7.768 -5.990 -7.779 477 H LEU 63 HN LEU 63 -4.962 -1.913 -7.238 478 HA LEU 63 HA LEU 63 -4.354 -0.704 -4.612 479 1HB LEU 63 HB2 LEU 63 -3.018 0.312 -6.249 480 2HB LEU 63 HB1 LEU 63 -4.261 0.178 -7.487 481 HG LEU 63 HG LEU 63 -5.578 1.928 -6.152 482 1HD1 LEU 63 HD11 LEU 63 -3.196 3.103 -5.009 483 2HD1 LEU 63 HD12 LEU 63 -3.465 1.496 -4.332 484 3HD1 LEU 63 HD13 LEU 63 -4.729 2.723 -4.223 485 1HD2 LEU 63 HD21 LEU 63 -3.103 3.304 -6.936 486 2HD2 LEU 63 HD22 LEU 63 -4.733 3.460 -7.593 487 3HD2 LEU 63 HD23 LEU 63 -3.683 2.153 -8.141 488 H VAL 64 HN VAL 64 -6.291 -0.612 -3.408 489 HA VAL 64 HA VAL 64 -8.807 -0.266 -4.701 490 HB VAL 64 HB VAL 64 -7.880 -0.178 -1.833 491 1HG1 VAL 64 HG11 VAL 64 -10.370 -0.499 -1.412 492 2HG1 VAL 64 HG12 VAL 64 -10.612 0.062 -3.065 493 3HG1 VAL 64 HG13 VAL 64 -9.864 1.125 -1.873 494 1HG2 VAL 64 HG21 VAL 64 -9.755 -2.233 -2.727 495 2HG2 VAL 64 HG22 VAL 64 -8.219 -2.411 -1.881 496 3HG2 VAL 64 HG23 VAL 64 -8.245 -2.257 -3.638 497 H ALA 65 HN ALA 65 -6.815 2.033 -2.704 498 HA ALA 65 HA ALA 65 -8.093 4.195 -4.310 499 1HB ALA 65 HB1 ALA 65 -8.765 3.605 -1.540 500 2HB ALA 65 HB2 ALA 65 -9.538 4.723 -2.666 501 3HB ALA 65 HB3 ALA 65 -8.141 5.244 -1.723 502 H LYS 66 HN LYS 66 -6.524 5.778 -4.801 503 HA LYS 66 HA LYS 66 -3.994 5.542 -3.304 504 1HB LYS 66 HB2 LYS 66 -4.349 7.349 -5.634 505 2HB LYS 66 HB1 LYS 66 -2.935 6.411 -5.155 506 1HG LYS 66 HG2 LYS 66 -3.651 5.108 -6.848 507 2HG LYS 66 HG1 LYS 66 -4.640 4.408 -5.598 508 1HD LYS 66 HD2 LYS 66 -6.405 4.884 -6.930 509 2HD LYS 66 HD1 LYS 66 -6.143 6.567 -6.470 510 1HE LYS 66 HE2 LYS 66 -4.414 6.613 -8.398 511 2HE LYS 66 HE1 LYS 66 -5.196 5.130 -8.947 512 1HZ LYS 66 HZ1 LYS 66 -6.017 7.552 -9.646 513 2HZ LYS 66 HZ2 LYS 66 -6.962 7.332 -8.250 514 3HZ LYS 66 HZ3 LYS 66 -7.061 6.221 -9.532 515 H GLU 67 HN GLU 67 -2.885 7.493 -2.730 516 HA GLU 67 HA GLU 67 -4.616 9.851 -2.269 517 1HB GLU 67 HB2 GLU 67 -3.279 8.158 -0.274 518 2HB GLU 67 HB1 GLU 67 -3.232 9.875 0.006 519 1HG GLU 67 HG2 GLU 67 -5.873 9.261 -0.805 520 2HG GLU 67 HG1 GLU 67 -5.420 8.052 0.396 521 H THR 68 HN THR 68 -3.580 11.414 -3.385 522 HA THR 68 HA THR 68 -0.651 11.787 -2.920 523 HB THR 68 HB THR 68 -0.244 12.159 -5.257 524 HG1 THR 68 HG1 THR 68 -2.858 11.561 -5.995 525 1HG2 THR 68 HG21 THR 68 -1.005 9.986 -6.267 526 2HG2 THR 68 HG22 THR 68 -2.007 9.732 -4.838 527 3HG2 THR 68 HG23 THR 68 -0.251 9.809 -4.682 528 H ASP 69 HN ASP 69 -3.050 13.038 -1.802 529 HA ASP 69 HA ASP 69 -3.386 15.616 -3.118 530 1HB ASP 69 HB2 ASP 69 -4.160 14.719 -0.335 531 2HB ASP 69 HB1 ASP 69 -4.726 16.192 -1.126 532 H GLY 70 HN GLY 70 -0.827 14.431 -1.600 533 1HA GLY 70 HA2 GLY 70 0.992 16.186 -1.391 534 2HA GLY 70 HA1 GLY 70 -0.092 16.932 -0.248 535 H LEU 71 HN LEU 71 2.504 15.239 -0.358 536 HA LEU 71 HA LEU 71 2.568 12.962 1.054 537 1HB LEU 71 HB2 LEU 71 4.238 15.385 1.738 538 2HB LEU 71 HB1 LEU 71 4.599 13.743 2.228 539 HG LEU 71 HG LEU 71 4.110 14.193 -0.642 540 1HD1 LEU 71 HD11 LEU 71 5.656 15.863 -0.722 541 2HD1 LEU 71 HD12 LEU 71 6.824 14.567 -0.468 542 3HD1 LEU 71 HD13 LEU 71 6.241 15.509 0.904 543 1HD2 LEU 71 HD21 LEU 71 5.886 12.473 1.082 544 2HD2 LEU 71 HD22 LEU 71 6.079 12.548 -0.669 545 3HD2 LEU 71 HD23 LEU 71 4.570 11.960 0.028 546 HA PRO 72 HA PRO 72 3.437 11.924 2.467 547 1HB PRO 72 HB2 PRO 72 2.466 9.931 4.056 548 2HB PRO 72 HB1 PRO 72 3.724 11.060 4.599 549 1HG PRO 72 HG2 PRO 72 0.834 10.980 5.294 550 2HG PRO 72 HG1 PRO 72 2.194 11.563 6.273 551 1HD PRO 72 HD2 PRO 72 0.372 13.189 4.846 552 2HD PRO 72 HD1 PRO 72 1.946 13.718 5.483 553 H TYR 73 HN TYR 73 2.831 10.274 1.025 554 HA TYR 73 HA TYR 73 0.209 10.377 -0.139 555 1HB TYR 73 HB2 TYR 73 2.072 8.116 -0.565 556 2HB TYR 73 HB1 TYR 73 0.969 8.853 -1.715 557 HD1 TYR 73 HD1 TYR 73 4.230 8.727 -0.408 558 HD2 TYR 73 HD2 TYR 73 1.492 11.271 -2.468 559 HE1 TYR 73 HE1 TYR 73 6.140 10.039 -1.260 560 HE2 TYR 73 HE2 TYR 73 3.369 12.644 -3.305 561 HH TYR 73 HH TYR 73 6.755 11.837 -2.443 562 H ARG 74 HN ARG 74 -1.137 8.366 -0.473 563 HA ARG 74 HA ARG 74 -0.728 6.256 1.487 564 1HB ARG 74 HB2 ARG 74 -3.008 8.186 1.575 565 2HB ARG 74 HB1 ARG 74 -3.288 6.489 1.981 566 1HG ARG 74 HG2 ARG 74 -1.993 6.551 3.831 567 2HG ARG 74 HG1 ARG 74 -0.917 7.764 3.182 568 1HD ARG 74 HD2 ARG 74 -2.068 9.414 4.207 569 2HD ARG 74 HD1 ARG 74 -3.575 8.858 3.478 570 HE ARG 74 HE ARG 74 -2.956 7.096 5.614 571 1HH1 ARG 74 HH11 ARG 74 -4.474 10.030 4.785 572 2HH1 ARG 74 HH12 ARG 74 -4.951 10.417 6.404 573 1HH2 ARG 74 HH21 ARG 74 -3.267 7.740 7.825 574 2HH2 ARG 74 HH22 ARG 74 -4.267 9.122 8.125 575 H TYR 75 HN TYR 75 -1.895 4.371 0.887 576 HA TYR 75 HA TYR 75 -3.402 4.489 -1.611 577 1HB TYR 75 HB2 TYR 75 -1.206 2.520 -1.637 578 2HB TYR 75 HB1 TYR 75 -1.982 3.360 -2.978 579 HD1 TYR 75 HD1 TYR 75 -1.485 5.918 -3.197 580 HD2 TYR 75 HD2 TYR 75 0.760 3.224 -0.802 581 HE1 TYR 75 HE1 TYR 75 0.441 7.478 -3.296 582 HE2 TYR 75 HE2 TYR 75 2.717 4.769 -0.861 583 HH TYR 75 HH TYR 75 3.304 6.961 -1.341 584 H LEU 76 HN LEU 76 -5.074 3.055 -1.299 585 HA LEU 76 HA LEU 76 -4.717 1.059 0.740 586 1HB LEU 76 HB2 LEU 76 -6.886 2.182 0.647 587 2HB LEU 76 HB1 LEU 76 -7.117 1.626 -0.994 588 HG LEU 76 HG LEU 76 -6.762 -0.725 -0.089 589 1HD1 LEU 76 HD11 LEU 76 -5.812 0.215 2.099 590 2HD1 LEU 76 HD12 LEU 76 -6.975 -1.104 2.241 591 3HD1 LEU 76 HD13 LEU 76 -7.484 0.557 2.541 592 1HD2 LEU 76 HD21 LEU 76 -9.181 0.042 1.229 593 2HD2 LEU 76 HD22 LEU 76 -8.960 -0.807 -0.300 594 3HD2 LEU 76 HD23 LEU 76 -8.986 0.957 -0.264 595 H ILE 77 HN ILE 77 -4.926 -1.284 0.106 596 HA ILE 77 HA ILE 77 -4.988 -1.731 -2.799 597 HB ILE 77 HB ILE 77 -2.839 -2.894 -1.034 598 1HG1 ILE 77 HG12 ILE 77 -2.925 -0.365 -2.678 599 2HG1 ILE 77 HG11 ILE 77 -2.411 -0.565 -1.007 600 1HG2 ILE 77 HG21 ILE 77 -2.667 -2.543 -4.010 601 2HG2 ILE 77 HG22 ILE 77 -3.660 -3.856 -3.375 602 3HG2 ILE 77 HG23 ILE 77 -1.943 -3.786 -2.992 603 1HD1 ILE 77 HD11 ILE 77 -0.953 -1.835 -3.334 604 2HD1 ILE 77 HD12 ILE 77 -0.405 -1.695 -1.664 605 3HD1 ILE 77 HD13 ILE 77 -0.527 -0.256 -2.675 606 H ARG 78 HN ARG 78 -6.750 -3.094 -2.914 607 HA ARG 78 HA ARG 78 -7.385 -4.902 -0.738 608 1HB ARG 78 HB2 ARG 78 -9.237 -4.222 -2.045 609 2HB ARG 78 HB1 ARG 78 -8.403 -4.569 -3.558 610 1HG ARG 78 HG2 ARG 78 -8.569 -6.942 -3.198 611 2HG ARG 78 HG1 ARG 78 -9.141 -6.709 -1.547 612 1HD ARG 78 HD2 ARG 78 -11.226 -6.854 -2.418 613 2HD ARG 78 HD1 ARG 78 -10.943 -5.224 -3.031 614 HE ARG 78 HE ARG 78 -9.947 -6.534 -5.087 615 1HH1 ARG 78 HH21 ARG 78 -12.962 -6.009 -4.921 616 2HH1 ARG 78 HH22 ARG 78 -13.588 -7.572 -5.328 617 1HH2 ARG 78 HH11 ARG 78 -10.574 -9.206 -4.812 618 2HH2 ARG 78 HH12 ARG 78 -12.236 -9.382 -5.266 619 H LYS 79 HN LYS 79 -5.953 -6.546 -0.301 620 HA LYS 79 HA LYS 79 -4.128 -7.784 -2.059 621 1HB LYS 79 HB2 LYS 79 -5.596 -8.817 0.379 622 2HB LYS 79 HB1 LYS 79 -4.414 -9.801 -0.486 623 1HG LYS 79 HG2 LYS 79 -3.940 -7.119 0.838 624 2HG LYS 79 HG1 LYS 79 -3.244 -8.671 1.299 625 1HD LYS 79 HD2 LYS 79 -1.488 -8.049 0.005 626 2HD LYS 79 HD1 LYS 79 -2.529 -8.494 -1.348 627 1HE LYS 79 HE2 LYS 79 -2.010 -6.325 -1.961 628 2HE LYS 79 HE1 LYS 79 -3.451 -6.022 -0.990 629 1HZ LYS 79 HZ1 LYS 79 -0.638 -5.534 -0.349 630 2HZ LYS 79 HZ2 LYS 79 -1.681 -5.959 0.924 631 3HZ LYS 79 HZ3 LYS 79 -2.004 -4.583 -0.020 632 H GLY 80 HN GLY 80 -4.309 -9.726 -3.315 633 1HA GLY 80 HA2 GLY 80 -6.818 -11.133 -3.619 634 2HA GLY 80 HA1 GLY 80 -6.550 -10.003 -4.947 635 H GLY 81 HN GLY 81 -6.565 -12.262 -6.056 636 1HA GLY 81 HA2 GLY 81 -5.369 -13.996 -7.105 637 2HA GLY 81 HA1 GLY 81 -4.039 -12.838 -7.109
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