NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | position | program | type |
3659 | 1e0g | 4680 | cing | recoord | dress | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASP 1 1H ASP 1 -5.769 12.655 -0.948 2 H2 ASP 1 2H ASP 1 -7.136 13.585 -0.567 3 H3 ASP 1 3H ASP 1 -6.026 13.170 0.650 4 HA ASP 1 HA ASP 1 -7.754 11.692 1.012 5 1HB ASP 1 1HB ASP 1 -8.592 10.341 -1.062 6 2HB ASP 1 2HB ASP 1 -9.178 11.986 -0.829 7 H SER 2 H SER 2 -7.656 9.260 0.984 8 HA SER 2 HA SER 2 -4.860 8.375 0.411 9 1HB SER 2 1HB SER 2 -5.335 6.607 2.136 10 2HB SER 2 2HB SER 2 -5.381 8.248 2.775 11 HG SER 2 HG SER 2 -7.462 6.439 2.276 12 H ILE 3 H ILE 3 -4.605 6.765 -1.076 13 HA ILE 3 HA ILE 3 -7.006 5.620 -2.295 14 HB ILE 3 HB ILE 3 -4.082 5.544 -3.046 15 1HG1 ILE 3 1HG1 ILE 3 -6.509 6.827 -4.336 16 2HG1 ILE 3 2HG1 ILE 3 -5.223 7.677 -3.475 17 1HG2 ILE 3 1HG2 ILE 3 -5.279 3.419 -3.650 18 2HG2 ILE 3 2HG2 ILE 3 -6.419 4.384 -4.587 19 3HG2 ILE 3 3HG2 ILE 3 -4.716 4.335 -5.051 20 1HD1 ILE 3 1HD1 ILE 3 -4.534 5.871 -5.783 21 2HD1 ILE 3 2HD1 ILE 3 -5.111 7.509 -6.091 22 3HD1 ILE 3 3HD1 ILE 3 -3.643 7.256 -5.149 23 H THR 4 H THR 4 -7.549 3.443 -2.126 24 HA THR 4 HA THR 4 -5.663 1.710 -0.578 25 HB THR 4 HB THR 4 -8.675 1.503 -0.430 26 HG1 THR 4 HG1 THR 4 -8.305 2.524 1.667 27 1HG2 THR 4 1HG2 THR 4 -6.518 -0.116 0.441 28 2HG2 THR 4 2HG2 THR 4 -7.211 0.628 1.882 29 3HG2 THR 4 3HG2 THR 4 -8.232 -0.322 0.801 30 H TYR 5 H TYR 5 -4.957 0.168 -1.987 31 HA TYR 5 HA TYR 5 -6.942 -0.829 -3.983 32 1HB TYR 5 1HB TYR 5 -5.375 -0.761 -5.634 33 2HB TYR 5 2HB TYR 5 -4.722 0.508 -4.611 34 HD1 TYR 5 HD1 TYR 5 -4.429 -3.195 -5.254 35 HD2 TYR 5 HD2 TYR 5 -2.553 0.383 -3.794 36 HE1 TYR 5 HE1 TYR 5 -2.270 -4.359 -5.175 37 HE2 TYR 5 HE2 TYR 5 -0.386 -0.809 -3.690 38 HH TYR 5 HH TYR 5 -0.103 -4.171 -4.825 39 H ARG 6 H ARG 6 -7.292 -2.984 -4.100 40 HA ARG 6 HA ARG 6 -5.966 -4.647 -2.066 41 1HB ARG 6 1HB ARG 6 -8.266 -5.194 -3.965 42 2HB ARG 6 2HB ARG 6 -7.632 -6.381 -2.824 43 1HG ARG 6 1HG ARG 6 -8.245 -3.737 -1.653 44 2HG ARG 6 2HG ARG 6 -9.646 -4.636 -2.235 45 1HD ARG 6 1HD ARG 6 -8.330 -6.625 -0.959 46 2HD ARG 6 2HD ARG 6 -7.806 -5.249 0.012 47 HE ARG 6 HE ARG 6 -10.677 -5.969 -0.421 48 1HH1 ARG 6 1HH1 ARG 6 -9.661 -3.204 0.606 49 2HH1 ARG 6 2HH1 ARG 6 -9.936 -3.399 2.305 50 1HH2 ARG 6 1HH2 ARG 6 -10.359 -6.836 2.109 51 2HH2 ARG 6 2HH2 ARG 6 -10.332 -5.457 3.156 52 H VAL 7 H VAL 7 -4.255 -5.799 -2.533 53 HA VAL 7 HA VAL 7 -3.257 -6.030 -5.252 54 HB VAL 7 HB VAL 7 -2.251 -7.495 -2.808 55 1HG1 VAL 7 1HG1 VAL 7 -1.310 -6.998 -5.508 56 2HG1 VAL 7 2HG1 VAL 7 -0.173 -6.342 -4.318 57 3HG1 VAL 7 3HG1 VAL 7 -0.633 -8.052 -4.264 58 1HG2 VAL 7 1HG2 VAL 7 -2.621 -4.659 -3.160 59 2HG2 VAL 7 2HG2 VAL 7 -1.889 -5.517 -1.792 60 3HG2 VAL 7 3HG2 VAL 7 -0.880 -5.028 -3.161 61 H ARG 8 H ARG 8 -4.236 -7.474 -6.589 62 HA ARG 8 HA ARG 8 -5.207 -10.052 -5.454 63 1HB ARG 8 1HB ARG 8 -5.994 -8.330 -7.736 64 2HB ARG 8 2HB ARG 8 -6.076 -10.069 -8.025 65 1HG ARG 8 1HG ARG 8 -7.140 -9.579 -5.425 66 2HG ARG 8 2HG ARG 8 -7.898 -8.440 -6.538 67 1HD ARG 8 1HD ARG 8 -7.702 -11.431 -6.991 68 2HD ARG 8 2HD ARG 8 -9.141 -10.590 -6.414 69 HE ARG 8 HE ARG 8 -8.556 -10.874 -9.115 70 1HH1 ARG 8 1HH1 ARG 8 -7.390 -8.483 -9.716 71 2HH1 ARG 8 2HH1 ARG 8 -8.626 -7.270 -9.659 72 1HH2 ARG 8 1HH2 ARG 8 -10.822 -9.223 -7.815 73 2HH2 ARG 8 2HH2 ARG 8 -10.571 -7.690 -8.582 74 H LYS 9 H LYS 9 -4.760 -12.037 -6.784 75 HA LYS 9 HA LYS 9 -2.005 -12.387 -7.288 76 1HB LYS 9 1HB LYS 9 -4.365 -13.884 -8.464 77 2HB LYS 9 2HB LYS 9 -2.685 -14.405 -8.604 78 1HG LYS 9 1HG LYS 9 -2.605 -14.243 -6.034 79 2HG LYS 9 2HG LYS 9 -4.366 -14.174 -6.107 80 1HD LYS 9 1HD LYS 9 -4.549 -16.373 -6.642 81 2HD LYS 9 2HD LYS 9 -3.179 -16.311 -7.750 82 1HE LYS 9 1HE LYS 9 -1.605 -16.575 -5.989 83 2HE LYS 9 2HE LYS 9 -2.810 -16.213 -4.754 84 1HZ LYS 9 1HZ LYS 9 -3.494 -18.434 -6.456 85 2HZ LYS 9 2HZ LYS 9 -2.094 -18.689 -5.528 86 3HZ LYS 9 3HZ LYS 9 -3.561 -18.301 -4.766 87 H GLY 10 H GLY 10 -0.733 -12.053 -9.080 88 1HA GLY 10 1HA GLY 10 -0.260 -11.583 -11.382 89 2HA GLY 10 2HA GLY 10 -1.985 -11.337 -11.660 90 H ASP 11 H ASP 11 -1.792 -9.612 -9.017 91 HA ASP 11 HA ASP 11 -1.281 -7.091 -10.457 92 1HB ASP 11 1HB ASP 11 -2.359 -7.675 -7.685 93 2HB ASP 11 2HB ASP 11 -2.152 -6.056 -8.340 94 H SER 12 H SER 12 0.602 -5.974 -10.216 95 HA SER 12 HA SER 12 2.469 -6.899 -8.079 96 1HB SER 12 1HB SER 12 2.815 -6.216 -10.876 97 2HB SER 12 2HB SER 12 3.854 -5.222 -9.859 98 HG SER 12 HG SER 12 3.667 -8.051 -9.960 99 H LEU 13 H LEU 13 3.578 -5.292 -6.849 100 HA LEU 13 HA LEU 13 2.063 -3.064 -5.939 101 1HB LEU 13 1HB LEU 13 4.972 -3.833 -5.787 102 2HB LEU 13 2HB LEU 13 4.421 -2.291 -5.138 103 HG LEU 13 HG LEU 13 4.462 -4.121 -3.423 104 1HD1 LEU 13 1HD1 LEU 13 2.275 -2.356 -4.086 105 2HD1 LEU 13 2HD1 LEU 13 1.676 -3.812 -3.283 106 3HD1 LEU 13 3HD1 LEU 13 2.901 -2.804 -2.498 107 1HD2 LEU 13 1HD2 LEU 13 3.680 -5.883 -5.159 108 2HD2 LEU 13 2HD2 LEU 13 3.000 -5.977 -3.535 109 3HD2 LEU 13 3HD2 LEU 13 2.053 -5.268 -4.842 110 H SER 14 H SER 14 4.965 -2.976 -8.037 111 HA SER 14 HA SER 14 4.697 -0.215 -8.667 112 1HB SER 14 1HB SER 14 6.139 -0.806 -10.666 113 2HB SER 14 2HB SER 14 6.787 -1.321 -9.112 114 HG SER 14 HG SER 14 6.492 -3.343 -9.662 115 H SER 15 H SER 15 3.563 -3.125 -10.418 116 HA SER 15 HA SER 15 2.425 -1.829 -12.658 117 1HB SER 15 1HB SER 15 2.346 -4.095 -12.994 118 2HB SER 15 2HB SER 15 2.039 -4.431 -11.293 119 HG SER 15 HG SER 15 0.086 -4.760 -12.055 120 H ILE 16 H ILE 16 1.063 -2.507 -9.503 121 HA ILE 16 HA ILE 16 -1.577 -1.531 -10.003 122 HB ILE 16 HB ILE 16 0.096 -2.038 -7.581 123 1HG1 ILE 16 1HG1 ILE 16 -2.648 -2.794 -7.353 124 2HG1 ILE 16 2HG1 ILE 16 -2.117 -3.215 -8.981 125 1HG2 ILE 16 1HG2 ILE 16 -2.121 -0.052 -7.772 126 2HG2 ILE 16 2HG2 ILE 16 -2.088 -1.105 -6.365 127 3HG2 ILE 16 3HG2 ILE 16 -0.713 -0.059 -6.710 128 1HD1 ILE 16 1HD1 ILE 16 -0.206 -3.866 -6.815 129 2HD1 ILE 16 2HD1 ILE 16 -1.704 -4.798 -6.807 130 3HD1 ILE 16 3HD1 ILE 16 -0.667 -4.809 -8.233 131 H ALA 17 H ALA 17 1.371 0.077 -8.768 132 HA ALA 17 HA ALA 17 0.314 2.665 -8.352 133 1HB ALA 17 2HB ALA 17 2.758 3.117 -9.621 134 2HB ALA 17 1HB ALA 17 2.944 1.524 -8.890 135 3HB ALA 17 3HB ALA 17 2.508 2.910 -7.888 136 H LYS 18 H LYS 18 1.567 1.179 -11.362 137 HA LYS 18 HA LYS 18 1.290 3.348 -13.118 138 1HB LYS 18 1HB LYS 18 2.212 1.068 -13.682 139 2HB LYS 18 2HB LYS 18 0.548 0.492 -13.800 140 1HG LYS 18 1HG LYS 18 0.106 2.272 -15.504 141 2HG LYS 18 2HG LYS 18 1.818 2.691 -15.454 142 1HD LYS 18 1HD LYS 18 2.314 0.264 -16.022 143 2HD LYS 18 2HD LYS 18 0.589 0.067 -16.330 144 1HE LYS 18 1HE LYS 18 2.410 2.062 -17.710 145 2HE LYS 18 2HE LYS 18 1.795 0.570 -18.420 146 1HZ LYS 18 1HZ LYS 18 -0.487 1.510 -17.835 147 2HZ LYS 18 2HZ LYS 18 0.302 3.001 -17.664 148 3HZ LYS 18 3HZ LYS 18 0.332 2.192 -19.158 149 H ARG 19 H ARG 19 -1.219 1.143 -11.923 150 HA ARG 19 HA ARG 19 -3.362 1.929 -13.593 151 1HB ARG 19 1HB ARG 19 -3.166 0.145 -11.632 152 2HB ARG 19 2HB ARG 19 -3.859 1.457 -10.678 153 1HG ARG 19 1HG ARG 19 -5.881 1.329 -11.728 154 2HG ARG 19 2HG ARG 19 -5.157 0.959 -13.294 155 1HD ARG 19 1HD ARG 19 -5.194 -1.298 -12.931 156 2HD ARG 19 2HD ARG 19 -4.854 -1.128 -11.209 157 HE ARG 19 HE ARG 19 -7.207 -0.856 -10.804 158 1HH1 ARG 19 1HH1 ARG 19 -8.466 0.695 -12.727 159 2HH1 ARG 19 2HH1 ARG 19 -9.161 -0.404 -13.870 160 1HH2 ARG 19 1HH2 ARG 19 -7.195 -3.087 -12.884 161 2HH2 ARG 19 2HH2 ARG 19 -8.441 -2.548 -13.960 162 H HIS 20 H HIS 20 -1.910 3.551 -10.822 163 HA HIS 20 HA HIS 20 -3.863 5.785 -11.201 164 1HB HIS 20 2HB HIS 20 -4.105 5.937 -8.961 165 2HB HIS 20 1HB HIS 20 -2.369 5.899 -8.709 166 HD1 HIS 20 HD1 HIS 20 -5.406 3.751 -8.645 167 HD2 HIS 20 HD2 HIS 20 -1.287 3.240 -8.336 168 HE1 HIS 20 HE1 HIS 20 -5.013 1.426 -7.715 169 H GLY 21 H GLY 21 -0.941 5.055 -12.274 170 1HA GLY 21 1HA GLY 21 1.041 6.257 -12.709 171 2HA GLY 21 2HA GLY 21 -0.018 7.672 -12.727 172 H VAL 22 H VAL 22 1.044 5.413 -10.177 173 HA VAL 22 HA VAL 22 1.776 7.804 -8.543 174 HB VAL 22 HB VAL 22 1.334 5.955 -6.668 175 1HG1 VAL 22 1HG1 VAL 22 -0.644 7.713 -8.124 176 2HG1 VAL 22 2HG1 VAL 22 -1.071 6.844 -6.647 177 3HG1 VAL 22 3HG1 VAL 22 0.215 8.053 -6.622 178 1HG2 VAL 22 1HG2 VAL 22 0.728 4.360 -8.617 179 2HG2 VAL 22 2HG2 VAL 22 -0.328 4.401 -7.208 180 3HG2 VAL 22 3HG2 VAL 22 -0.788 5.263 -8.678 181 H ASN 23 H ASN 23 3.318 7.143 -6.672 182 HA ASN 23 HA ASN 23 5.538 5.552 -7.877 183 1HB ASN 23 1HB ASN 23 5.381 7.995 -6.242 184 2HB ASN 23 2HB ASN 23 6.613 6.854 -5.708 185 2HD2 ASN 23 2HD2 ASN 23 7.378 9.339 -6.850 186 1HD2 ASN 23 1HD2 ASN 23 8.093 9.053 -8.362 187 H ILE 24 H ILE 24 4.998 3.471 -7.179 188 HA ILE 24 HA ILE 24 3.991 2.738 -4.665 189 HB ILE 24 HB ILE 24 5.956 1.168 -6.357 190 1HG1 ILE 24 1HG1 ILE 24 3.964 1.968 -7.566 191 2HG1 ILE 24 2HG1 ILE 24 3.931 0.225 -7.345 192 1HG2 ILE 24 1HG2 ILE 24 4.247 0.572 -3.990 193 2HG2 ILE 24 2HG2 ILE 24 4.312 -0.643 -5.276 194 3HG2 ILE 24 3HG2 ILE 24 5.798 -0.134 -4.461 195 1HD1 ILE 24 1HD1 ILE 24 2.511 2.192 -5.506 196 2HD1 ILE 24 2HD1 ILE 24 1.729 1.314 -6.826 197 3HD1 ILE 24 3HD1 ILE 24 2.404 0.415 -5.465 198 H LYS 25 H LYS 25 7.207 3.832 -5.509 199 HA LYS 25 HA LYS 25 8.571 2.795 -3.202 200 1HB LYS 25 1HB LYS 25 10.187 4.620 -3.580 201 2HB LYS 25 2HB LYS 25 9.810 3.785 -5.085 202 1HG LYS 25 1HG LYS 25 8.054 5.587 -5.499 203 2HG LYS 25 2HG LYS 25 8.769 6.467 -4.148 204 1HD LYS 25 1HD LYS 25 10.744 5.499 -6.095 205 2HD LYS 25 2HD LYS 25 9.600 6.661 -6.767 206 1HE LYS 25 1HE LYS 25 10.786 8.306 -5.792 207 2HE LYS 25 2HE LYS 25 10.301 7.661 -4.224 208 1HZ LYS 25 1HZ LYS 25 12.598 6.581 -5.749 209 2HZ LYS 25 2HZ LYS 25 12.762 7.853 -4.633 210 3HZ LYS 25 3HZ LYS 25 12.217 6.333 -4.111 211 H ASP 26 H ASP 26 6.647 5.727 -3.824 212 HA ASP 26 HA ASP 26 7.019 6.901 -1.234 213 1HB ASP 26 2HB ASP 26 4.996 8.177 -1.681 214 2HB ASP 26 1HB ASP 26 4.539 7.069 -2.966 215 H VAL 27 H VAL 27 4.792 4.562 -2.612 216 HA VAL 27 HA VAL 27 3.121 4.192 -0.324 217 HB VAL 27 HB VAL 27 4.059 2.020 -2.216 218 1HG1 VAL 27 1HG1 VAL 27 2.163 2.192 -0.005 219 2HG1 VAL 27 2HG1 VAL 27 1.398 1.643 -1.499 220 3HG1 VAL 27 3HG1 VAL 27 2.780 0.766 -0.843 221 1HG2 VAL 27 1HG2 VAL 27 3.128 4.147 -3.266 222 2HG2 VAL 27 2HG2 VAL 27 2.274 2.659 -3.671 223 3HG2 VAL 27 3HG2 VAL 27 1.605 3.763 -2.469 224 H MET 28 H MET 28 6.236 2.683 -1.217 225 HA MET 28 HA MET 28 6.380 1.137 1.249 226 1HB MET 28 2HB MET 28 8.650 0.622 0.552 227 2HB MET 28 1HB MET 28 8.637 1.951 -0.609 228 1HG MET 28 1HG MET 28 6.359 0.235 -1.059 229 2HG MET 28 2HG MET 28 7.675 0.634 -2.163 230 1HE MET 28 1HE MET 28 9.983 0.076 -1.220 231 2HE MET 28 2HE MET 28 10.481 -1.521 -0.647 232 3HE MET 28 3HE MET 28 10.072 -1.276 -2.343 233 H ARG 29 H ARG 29 6.851 4.412 0.407 234 HA ARG 29 HA ARG 29 8.876 5.042 2.397 235 1HB ARG 29 1HB ARG 29 8.369 6.440 0.351 236 2HB ARG 29 2HB ARG 29 6.865 6.924 1.134 237 1HG ARG 29 1HG ARG 29 8.635 7.406 3.140 238 2HG ARG 29 2HG ARG 29 9.647 7.735 1.733 239 1HD ARG 29 1HD ARG 29 7.386 9.013 0.975 240 2HD ARG 29 2HD ARG 29 7.257 9.190 2.726 241 HE ARG 29 HE ARG 29 9.883 9.911 2.131 242 1HH1 ARG 29 1HH1 ARG 29 7.514 11.671 3.118 243 2HH1 ARG 29 2HH1 ARG 29 7.591 12.955 1.959 244 1HH2 ARG 29 1HH2 ARG 29 9.652 11.217 -0.223 245 2HH2 ARG 29 2HH2 ARG 29 8.801 12.698 0.066 246 H TRP 30 H TRP 30 5.293 5.257 2.277 247 HA TRP 30 HA TRP 30 5.247 6.239 5.061 248 1HB TRP 30 2HB TRP 30 2.876 6.358 4.844 249 2HB TRP 30 1HB TRP 30 2.872 5.239 3.483 250 HD1 TRP 30 HD1 TRP 30 4.377 8.713 4.312 251 HE1 TRP 30 HE1 TRP 30 4.298 10.134 2.160 252 HE3 TRP 30 HE3 TRP 30 2.425 5.290 1.097 253 HZ2 TRP 30 HZ2 TRP 30 3.501 9.841 -0.578 254 HZ3 TRP 30 HZ3 TRP 30 2.013 5.871 -1.267 255 HH2 TRP 30 HH2 TRP 30 2.547 8.140 -2.119 256 H ASN 31 H ASN 31 4.673 3.201 3.324 257 HA ASN 31 HA ASN 31 3.937 1.879 5.867 258 1HB ASN 31 1HB ASN 31 4.199 0.756 3.065 259 2HB ASN 31 2HB ASN 31 3.590 -0.117 4.472 260 2HD2 ASN 31 2HD2 ASN 31 2.857 2.566 2.240 261 1HD2 ASN 31 1HD2 ASN 31 1.213 2.670 2.641 262 H SER 32 H SER 32 5.298 0.584 6.990 263 HA SER 32 HA SER 32 8.082 0.332 5.959 264 1HB SER 32 1HB SER 32 6.891 0.560 8.686 265 2HB SER 32 2HB SER 32 8.369 -0.382 8.513 266 HG SER 32 HG SER 32 8.533 1.995 8.893 267 H ASP 33 H ASP 33 5.253 -1.436 6.656 268 HA ASP 33 HA ASP 33 6.768 -3.981 6.309 269 1HB ASP 33 2HB ASP 33 5.348 -5.086 7.877 270 2HB ASP 33 1HB ASP 33 4.221 -3.729 7.921 271 H THR 34 H THR 34 6.294 -3.853 4.036 272 HA THR 34 HA THR 34 3.485 -3.708 3.196 273 HB THR 34 HB THR 34 4.514 -4.075 0.906 274 HG1 THR 34 HG1 THR 34 6.835 -3.754 0.938 275 1HG2 THR 34 1HG2 THR 34 5.168 -1.819 2.762 276 2HG2 THR 34 2HG2 THR 34 5.883 -1.821 1.149 277 3HG2 THR 34 3HG2 THR 34 4.129 -1.830 1.336 278 H ALA 35 H ALA 35 4.770 -6.057 4.814 279 HA ALA 35 HA ALA 35 4.666 -8.358 3.105 280 1HB ALA 35 3HB ALA 35 5.592 -9.157 5.003 281 2HB ALA 35 2HB ALA 35 3.958 -9.221 5.663 282 3HB ALA 35 1HB ALA 35 4.970 -7.806 5.950 283 H ASN 36 H ASN 36 2.209 -6.264 4.077 284 HA ASN 36 HA ASN 36 0.120 -8.303 4.303 285 1HB ASN 36 2HB ASN 36 -1.404 -6.398 4.491 286 2HB ASN 36 1HB ASN 36 -0.118 -5.294 4.003 287 2HD2 ASN 36 2HD2 ASN 36 0.583 -4.189 5.838 288 1HD2 ASN 36 1HD2 ASN 36 0.849 -4.895 7.358 289 H LEU 37 H LEU 37 1.895 -7.255 1.722 290 HA LEU 37 HA LEU 37 -0.266 -6.748 -0.168 291 1HB LEU 37 1HB LEU 37 2.692 -7.297 -0.472 292 2HB LEU 37 2HB LEU 37 1.621 -7.166 -1.867 293 HG LEU 37 HG LEU 37 1.306 -4.915 -1.598 294 1HD1 LEU 37 1HD1 LEU 37 1.759 -5.316 1.371 295 2HD1 LEU 37 2HD1 LEU 37 1.444 -3.759 0.617 296 3HD1 LEU 37 3HD1 LEU 37 0.214 -5.021 0.572 297 1HD2 LEU 37 1HD2 LEU 37 3.911 -5.461 -0.160 298 2HD2 LEU 37 2HD2 LEU 37 3.687 -5.088 -1.867 299 3HD2 LEU 37 3HD2 LEU 37 3.394 -3.847 -0.649 300 H GLN 38 H GLN 38 -1.478 -8.702 0.529 301 HA GLN 38 HA GLN 38 -0.472 -11.213 -0.714 302 1HB GLN 38 2HB GLN 38 -1.713 -12.414 0.865 303 2HB GLN 38 1HB GLN 38 -2.854 -11.094 1.118 304 1HG GLN 38 1HG GLN 38 -0.162 -10.281 1.838 305 2HG GLN 38 2HG GLN 38 -1.624 -10.280 2.824 306 2HE2 GLN 38 2HE2 GLN 38 1.427 -11.690 2.570 307 1HE2 GLN 38 1HE2 GLN 38 1.147 -13.080 3.503 308 HA PRO 39 HA PRO 39 -3.595 -10.893 -3.689 309 1HB PRO 39 1HB PRO 39 -4.594 -13.468 -3.836 310 2HB PRO 39 2HB PRO 39 -3.051 -12.958 -4.543 311 1HG PRO 39 2HG PRO 39 -2.165 -14.576 -3.136 312 2HG PRO 39 1HG PRO 39 -3.550 -14.509 -2.032 313 1HD PRO 39 1HD PRO 39 -2.169 -13.244 -0.676 314 2HD PRO 39 2HD PRO 39 -1.032 -12.916 -2.003 315 H GLY 40 H GLY 40 -4.923 -9.516 -2.419 316 1HA GLY 40 1HA GLY 40 -7.474 -9.491 -2.192 317 2HA GLY 40 2HA GLY 40 -7.238 -10.835 -1.073 318 H ASP 41 H ASP 41 -4.707 -8.471 -0.902 319 HA ASP 41 HA ASP 41 -5.975 -7.440 1.613 320 1HB ASP 41 1HB ASP 41 -3.381 -8.481 1.039 321 2HB ASP 41 2HB ASP 41 -3.205 -6.776 1.456 322 H LYS 42 H LYS 42 -5.961 -5.162 1.993 323 HA LYS 42 HA LYS 42 -5.888 -3.558 -0.458 324 1HB LYS 42 2HB LYS 42 -7.435 -3.444 1.772 325 2HB LYS 42 1HB LYS 42 -7.208 -2.087 0.672 326 1HG LYS 42 1HG LYS 42 -5.190 -2.480 2.845 327 2HG LYS 42 2HG LYS 42 -5.777 -0.984 2.112 328 1HD LYS 42 2HD LYS 42 -8.021 -1.488 3.225 329 2HD LYS 42 1HD LYS 42 -6.708 -1.033 4.310 330 1HE LYS 42 2HE LYS 42 -7.515 -3.888 3.672 331 2HE LYS 42 1HE LYS 42 -7.982 -3.015 5.132 332 1HZ LYS 42 1HZ LYS 42 -5.318 -2.650 5.068 333 2HZ LYS 42 2HZ LYS 42 -6.106 -3.858 5.963 334 3HZ LYS 42 3HZ LYS 42 -5.457 -4.216 4.435 335 H LEU 43 H LEU 43 -4.649 -1.526 -0.567 336 HA LEU 43 HA LEU 43 -2.189 -1.488 1.106 337 1HB LEU 43 1HB LEU 43 -2.410 -2.287 -1.658 338 2HB LEU 43 2HB LEU 43 -1.402 -0.848 -1.523 339 HG LEU 43 HG LEU 43 -1.029 -3.541 -0.198 340 1HD1 LEU 43 1HD1 LEU 43 0.343 -1.857 -2.225 341 2HD1 LEU 43 2HD1 LEU 43 1.366 -2.804 -1.145 342 3HD1 LEU 43 3HD1 LEU 43 0.162 -3.609 -2.149 343 1HD2 LEU 43 1HD2 LEU 43 -0.317 -0.897 0.844 344 2HD2 LEU 43 2HD2 LEU 43 -0.236 -2.473 1.637 345 3HD2 LEU 43 3HD2 LEU 43 1.094 -1.932 0.612 346 H THR 44 H THR 44 -1.515 0.583 1.571 347 HA THR 44 HA THR 44 -3.208 2.795 0.882 348 HB THR 44 HB THR 44 -0.734 2.398 2.483 349 HG1 THR 44 HG1 THR 44 -2.618 2.403 3.580 350 1HG2 THR 44 1HG2 THR 44 -1.594 5.087 1.368 351 2HG2 THR 44 2HG2 THR 44 -0.465 4.882 2.705 352 3HG2 THR 44 3HG2 THR 44 -0.041 4.293 1.095 353 H LEU 45 H LEU 45 -3.077 4.040 -0.919 354 HA LEU 45 HA LEU 45 -0.474 4.093 -2.385 355 1HB LEU 45 1HB LEU 45 -3.299 3.986 -3.391 356 2HB LEU 45 2HB LEU 45 -2.098 4.863 -4.337 357 HG LEU 45 HG LEU 45 -1.529 2.066 -3.397 358 1HD1 LEU 45 1HD1 LEU 45 -3.087 2.958 -5.833 359 2HD1 LEU 45 2HD1 LEU 45 -2.427 1.336 -5.622 360 3HD1 LEU 45 3HD1 LEU 45 -3.677 1.929 -4.528 361 1HD2 LEU 45 1HD2 LEU 45 -0.626 3.873 -5.650 362 2HD2 LEU 45 2HD2 LEU 45 0.365 3.212 -4.347 363 3HD2 LEU 45 3HD2 LEU 45 -0.261 2.150 -5.615 364 H PHE 46 H PHE 46 -0.590 5.824 -0.369 365 HA PHE 46 HA PHE 46 -1.950 8.281 -0.688 366 1HB PHE 46 1HB PHE 46 0.578 7.418 0.622 367 2HB PHE 46 2HB PHE 46 0.431 9.140 0.286 368 HD1 PHE 46 HD1 PHE 46 -2.524 9.493 0.596 369 HD2 PHE 46 HD2 PHE 46 0.314 7.295 2.958 370 HE1 PHE 46 HE1 PHE 46 -3.983 9.745 2.584 371 HE2 PHE 46 HE2 PHE 46 -1.148 7.544 4.945 372 HZ PHE 46 HZ PHE 46 -3.295 8.769 4.758 373 H VAL 47 H VAL 47 0.608 6.843 -2.426 374 HA VAL 47 HA VAL 47 2.088 8.743 -3.663 375 HB VAL 47 HB VAL 47 1.727 7.251 -5.771 376 1HG1 VAL 47 1HG1 VAL 47 2.758 6.319 -3.101 377 2HG1 VAL 47 2HG1 VAL 47 2.874 5.291 -4.537 378 3HG1 VAL 47 3HG1 VAL 47 3.674 6.872 -4.502 379 1HG2 VAL 47 1HG2 VAL 47 -0.496 6.378 -5.019 380 2HG2 VAL 47 2HG2 VAL 47 0.677 5.086 -5.305 381 3HG2 VAL 47 3HG2 VAL 47 0.308 5.598 -3.659 382 H LYS 48 H LYS 48 1.810 10.278 -5.294 383 HA LYS 48 HA LYS 48 -1.014 10.978 -5.912 384 1HB LYS 48 1HB LYS 48 1.363 12.493 -5.350 385 2HB LYS 48 2HB LYS 48 0.783 12.913 -6.963 386 1HG LYS 48 2HG LYS 48 -1.564 13.014 -5.803 387 2HG LYS 48 1HG LYS 48 -0.452 14.370 -5.612 388 1HD LYS 48 1HD LYS 48 -0.360 12.098 -3.647 389 2HD LYS 48 2HD LYS 48 0.079 13.791 -3.414 390 1HE LYS 48 1HE LYS 48 -2.025 13.316 -2.254 391 2HE LYS 48 2HE LYS 48 -2.322 14.414 -3.602 392 1HZ LYS 48 1HZ LYS 48 -2.507 11.558 -4.157 393 2HZ LYS 48 2HZ LYS 48 -3.744 12.232 -3.206 394 3HZ LYS 48 3HZ LYS 48 -3.434 12.844 -4.760 No H/Q in entry = 394 Start of MODEL 2 1 H1 ASP 1 1H ASP 1 -9.122 10.045 -1.013 2 H2 ASP 1 2H ASP 1 -10.165 10.662 0.177 3 H3 ASP 1 3H ASP 1 -9.668 11.649 -1.113 4 HA ASP 1 HA ASP 1 -7.931 12.344 0.040 5 1HB ASP 1 1HB ASP 1 -9.060 10.397 2.062 6 2HB ASP 1 2HB ASP 1 -7.652 11.399 2.409 7 H SER 2 H SER 2 -8.034 8.827 0.748 8 HA SER 2 HA SER 2 -5.220 8.691 -0.264 9 1HB SER 2 1HB SER 2 -4.656 7.186 1.433 10 2HB SER 2 2HB SER 2 -5.747 8.282 2.276 11 HG SER 2 HG SER 2 -7.424 6.791 1.877 12 H ILE 3 H ILE 3 -4.695 6.825 -1.511 13 HA ILE 3 HA ILE 3 -7.010 5.597 -2.814 14 HB ILE 3 HB ILE 3 -4.050 5.501 -3.429 15 1HG1 ILE 3 1HG1 ILE 3 -6.390 6.909 -4.744 16 2HG1 ILE 3 2HG1 ILE 3 -5.036 7.671 -3.910 17 1HG2 ILE 3 1HG2 ILE 3 -5.283 3.422 -4.108 18 2HG2 ILE 3 2HG2 ILE 3 -6.355 4.430 -5.080 19 3HG2 ILE 3 3HG2 ILE 3 -4.638 4.335 -5.476 20 1HD1 ILE 3 1HD1 ILE 3 -4.314 5.800 -6.102 21 2HD1 ILE 3 2HD1 ILE 3 -5.097 7.302 -6.596 22 3HD1 ILE 3 3HD1 ILE 3 -3.600 7.354 -5.665 23 H THR 4 H THR 4 -7.489 3.398 -2.638 24 HA THR 4 HA THR 4 -5.627 1.748 -0.982 25 HB THR 4 HB THR 4 -8.657 1.691 -0.823 26 HG1 THR 4 HG1 THR 4 -8.027 2.424 1.396 27 1HG2 THR 4 1HG2 THR 4 -6.442 0.184 0.580 28 2HG2 THR 4 2HG2 THR 4 -8.077 0.282 1.236 29 3HG2 THR 4 3HG2 THR 4 -7.799 -0.481 -0.329 30 H TYR 5 H TYR 5 -4.914 0.145 -2.314 31 HA TYR 5 HA TYR 5 -6.878 -0.917 -4.295 32 1HB TYR 5 1HB TYR 5 -5.297 -0.908 -5.935 33 2HB TYR 5 2HB TYR 5 -4.650 0.395 -4.950 34 HD1 TYR 5 HD1 TYR 5 -4.358 -3.327 -5.470 35 HD2 TYR 5 HD2 TYR 5 -2.488 0.291 -4.101 36 HE1 TYR 5 HE1 TYR 5 -2.206 -4.494 -5.323 37 HE2 TYR 5 HE2 TYR 5 -0.324 -0.898 -3.949 38 HH TYR 5 HH TYR 5 -0.039 -4.298 -4.965 39 H ARG 6 H ARG 6 -7.206 -3.074 -4.375 40 HA ARG 6 HA ARG 6 -5.932 -4.672 -2.255 41 1HB ARG 6 1HB ARG 6 -8.459 -4.694 -2.854 42 2HB ARG 6 2HB ARG 6 -7.976 -5.688 -4.229 43 1HG ARG 6 2HG ARG 6 -6.622 -6.794 -2.039 44 2HG ARG 6 1HG ARG 6 -8.037 -7.468 -2.849 45 1HD ARG 6 1HD ARG 6 -7.828 -6.274 -0.208 46 2HD ARG 6 2HD ARG 6 -9.045 -5.446 -1.179 47 HE ARG 6 HE ARG 6 -9.310 -8.325 -1.375 48 1HH1 ARG 6 1HH1 ARG 6 -11.372 -5.995 -1.011 49 2HH1 ARG 6 2HH1 ARG 6 -12.102 -6.487 0.481 50 1HH2 ARG 6 1HH2 ARG 6 -9.621 -8.786 1.243 51 2HH2 ARG 6 2HH2 ARG 6 -11.110 -8.069 1.758 52 H VAL 7 H VAL 7 -4.196 -5.813 -2.652 53 HA VAL 7 HA VAL 7 -3.163 -6.158 -5.348 54 HB VAL 7 HB VAL 7 -2.172 -7.518 -2.840 55 1HG1 VAL 7 1HG1 VAL 7 -1.208 -7.107 -5.544 56 2HG1 VAL 7 2HG1 VAL 7 -0.092 -6.386 -4.371 57 3HG1 VAL 7 3HG1 VAL 7 -0.523 -8.100 -4.254 58 1HG2 VAL 7 1HG2 VAL 7 -2.563 -4.698 -3.289 59 2HG2 VAL 7 2HG2 VAL 7 -1.839 -5.506 -1.885 60 3HG2 VAL 7 3HG2 VAL 7 -0.817 -5.054 -3.257 61 H ARG 8 H ARG 8 -4.123 -7.674 -6.626 62 HA ARG 8 HA ARG 8 -5.146 -10.167 -5.365 63 1HB ARG 8 1HB ARG 8 -5.638 -8.795 -8.003 64 2HB ARG 8 2HB ARG 8 -6.065 -10.491 -7.776 65 1HG ARG 8 1HG ARG 8 -7.939 -9.891 -6.693 66 2HG ARG 8 2HG ARG 8 -6.976 -9.027 -5.494 67 1HD ARG 8 1HD ARG 8 -7.148 -6.990 -6.627 68 2HD ARG 8 2HD ARG 8 -7.498 -7.766 -8.171 69 HE ARG 8 HE ARG 8 -9.471 -7.679 -5.921 70 1HH1 ARG 8 1HH1 ARG 8 -9.678 -9.381 -8.535 71 2HH1 ARG 8 2HH1 ARG 8 -10.803 -8.412 -9.428 72 1HH2 ARG 8 1HH2 ARG 8 -10.452 -5.641 -7.372 73 2HH2 ARG 8 2HH2 ARG 8 -11.242 -6.293 -8.769 74 H LYS 9 H LYS 9 -4.644 -12.248 -6.486 75 HA LYS 9 HA LYS 9 -1.870 -12.651 -6.826 76 1HB LYS 9 1HB LYS 9 -2.493 -14.790 -7.954 77 2HB LYS 9 2HB LYS 9 -3.363 -14.537 -6.440 78 1HG LYS 9 2HG LYS 9 -4.986 -13.299 -8.329 79 2HG LYS 9 1HG LYS 9 -5.254 -14.894 -7.627 80 1HD LYS 9 1HD LYS 9 -4.029 -14.166 -10.274 81 2HD LYS 9 2HD LYS 9 -3.570 -15.679 -9.493 82 1HE LYS 9 1HE LYS 9 -6.462 -14.896 -9.884 83 2HE LYS 9 2HE LYS 9 -5.560 -15.783 -11.112 84 1HZ LYS 9 1HZ LYS 9 -5.148 -16.946 -8.570 85 2HZ LYS 9 2HZ LYS 9 -6.815 -16.818 -8.875 86 3HZ LYS 9 3HZ LYS 9 -5.809 -17.645 -9.966 87 H GLY 10 H GLY 10 -0.512 -12.528 -8.590 88 1HA GLY 10 1HA GLY 10 0.071 -12.274 -10.898 89 2HA GLY 10 2HA GLY 10 -1.637 -12.036 -11.277 90 H ASP 11 H ASP 11 -1.515 -10.056 -8.799 91 HA ASP 11 HA ASP 11 -1.035 -7.690 -10.460 92 1HB ASP 11 1HB ASP 11 -1.926 -8.060 -7.590 93 2HB ASP 11 2HB ASP 11 -1.676 -6.479 -8.322 94 H SER 12 H SER 12 0.527 -6.058 -9.926 95 HA SER 12 HA SER 12 2.727 -7.005 -8.135 96 1HB SER 12 1HB SER 12 2.798 -6.299 -10.979 97 2HB SER 12 2HB SER 12 3.965 -5.394 -10.021 98 HG SER 12 HG SER 12 3.617 -8.198 -9.809 99 H LEU 13 H LEU 13 3.658 -5.400 -6.870 100 HA LEU 13 HA LEU 13 2.157 -3.140 -6.062 101 1HB LEU 13 1HB LEU 13 5.062 -3.905 -5.861 102 2HB LEU 13 2HB LEU 13 4.517 -2.334 -5.279 103 HG LEU 13 HG LEU 13 4.524 -4.067 -3.480 104 1HD1 LEU 13 1HD1 LEU 13 2.323 -2.376 -4.278 105 2HD1 LEU 13 2HD1 LEU 13 1.732 -3.802 -3.412 106 3HD1 LEU 13 3HD1 LEU 13 2.921 -2.734 -2.656 107 1HD2 LEU 13 1HD2 LEU 13 3.789 -5.913 -5.172 108 2HD2 LEU 13 2HD2 LEU 13 3.132 -5.966 -3.537 109 3HD2 LEU 13 3HD2 LEU 13 2.150 -5.325 -4.856 110 H SER 14 H SER 14 5.072 -3.090 -8.148 111 HA SER 14 HA SER 14 4.785 -0.347 -8.844 112 1HB SER 14 1HB SER 14 6.813 -1.890 -9.205 113 2HB SER 14 2HB SER 14 5.992 -2.437 -10.665 114 HG SER 14 HG SER 14 6.486 -0.616 -11.591 115 H SER 15 H SER 15 3.669 -3.311 -10.514 116 HA SER 15 HA SER 15 2.556 -2.094 -12.808 117 1HB SER 15 1HB SER 15 1.913 -4.604 -11.297 118 2HB SER 15 2HB SER 15 0.902 -4.109 -12.652 119 HG SER 15 HG SER 15 2.822 -4.039 -13.919 120 H ILE 16 H ILE 16 1.125 -2.697 -9.666 121 HA ILE 16 HA ILE 16 -1.489 -1.700 -10.224 122 HB ILE 16 HB ILE 16 0.152 -2.077 -7.738 123 1HG1 ILE 16 2HG1 ILE 16 -1.931 -3.446 -9.172 124 2HG1 ILE 16 1HG1 ILE 16 -2.539 -3.012 -7.573 125 1HG2 ILE 16 1HG2 ILE 16 -2.128 -0.209 -8.104 126 2HG2 ILE 16 2HG2 ILE 16 -2.193 -1.255 -6.692 127 3HG2 ILE 16 3HG2 ILE 16 -0.823 -0.170 -6.919 128 1HD1 ILE 16 1HD1 ILE 16 -0.008 -3.904 -6.988 129 2HD1 ILE 16 2HD1 ILE 16 -1.465 -4.889 -6.881 130 3HD1 ILE 16 3HD1 ILE 16 -0.461 -4.956 -8.328 131 H ALA 17 H ALA 17 1.456 -0.085 -8.986 132 HA ALA 17 HA ALA 17 0.424 2.522 -8.649 133 1HB ALA 17 2HB ALA 17 2.890 2.892 -9.926 134 2HB ALA 17 1HB ALA 17 3.040 1.340 -9.106 135 3HB ALA 17 3HB ALA 17 2.613 2.785 -8.189 136 H LYS 18 H LYS 18 1.680 0.949 -11.608 137 HA LYS 18 HA LYS 18 1.452 3.072 -13.425 138 1HB LYS 18 1HB LYS 18 2.262 0.630 -13.795 139 2HB LYS 18 2HB LYS 18 0.573 0.291 -14.179 140 1HG LYS 18 1HG LYS 18 0.991 2.554 -15.647 141 2HG LYS 18 2HG LYS 18 2.587 1.808 -15.720 142 1HD LYS 18 1HD LYS 18 1.677 -0.236 -16.611 143 2HD LYS 18 2HD LYS 18 0.025 0.312 -16.326 144 1HE LYS 18 1HE LYS 18 0.609 2.285 -17.884 145 2HE LYS 18 2HE LYS 18 2.007 1.323 -18.365 146 1HZ LYS 18 1HZ LYS 18 -0.744 0.232 -18.399 147 2HZ LYS 18 2HZ LYS 18 -0.083 1.053 -19.732 148 3HZ LYS 18 3HZ LYS 18 0.639 -0.379 -19.170 149 H ARG 19 H ARG 19 -1.105 0.925 -12.216 150 HA ARG 19 HA ARG 19 -3.210 1.711 -13.935 151 1HB ARG 19 1HB ARG 19 -3.187 -0.106 -12.106 152 2HB ARG 19 2HB ARG 19 -3.577 1.195 -10.981 153 1HG ARG 19 1HG ARG 19 -5.408 1.704 -12.903 154 2HG ARG 19 2HG ARG 19 -5.254 -0.042 -13.098 155 1HD ARG 19 1HD ARG 19 -5.424 0.862 -10.295 156 2HD ARG 19 2HD ARG 19 -6.875 1.164 -11.249 157 HE ARG 19 HE ARG 19 -6.196 -1.473 -11.827 158 1HH1 ARG 19 1HH1 ARG 19 -7.616 0.427 -9.372 159 2HH1 ARG 19 2HH1 ARG 19 -7.920 -0.906 -8.311 160 1HH2 ARG 19 1HH2 ARG 19 -6.266 -3.219 -10.293 161 2HH2 ARG 19 2HH2 ARG 19 -7.160 -2.966 -8.830 162 H HIS 20 H HIS 20 -1.765 3.376 -11.188 163 HA HIS 20 HA HIS 20 -3.701 5.616 -11.620 164 1HB HIS 20 2HB HIS 20 -3.935 5.830 -9.385 165 2HB HIS 20 1HB HIS 20 -2.200 5.763 -9.131 166 HD1 HIS 20 HD1 HIS 20 -5.277 3.666 -9.057 167 HD2 HIS 20 HD2 HIS 20 -1.170 3.106 -8.670 168 HE1 HIS 20 HE1 HIS 20 -4.930 1.356 -8.073 169 H GLY 21 H GLY 21 -0.749 4.823 -12.629 170 1HA GLY 21 1HA GLY 21 1.241 6.008 -13.075 171 2HA GLY 21 2HA GLY 21 0.184 7.423 -13.163 172 H VAL 22 H VAL 22 1.182 5.252 -10.517 173 HA VAL 22 HA VAL 22 1.886 7.694 -8.947 174 HB VAL 22 HB VAL 22 1.399 5.899 -7.028 175 1HG1 VAL 22 1HG1 VAL 22 -0.553 7.618 -8.566 176 2HG1 VAL 22 2HG1 VAL 22 -0.977 6.827 -7.046 177 3HG1 VAL 22 3HG1 VAL 22 0.316 8.028 -7.087 178 1HG2 VAL 22 1HG2 VAL 22 0.841 4.172 -8.765 179 2HG2 VAL 22 2HG2 VAL 22 -0.434 4.458 -7.582 180 3HG2 VAL 22 3HG2 VAL 22 -0.561 5.152 -9.199 181 H ASN 23 H ASN 23 3.372 7.075 -7.010 182 HA ASN 23 HA ASN 23 5.625 5.471 -8.127 183 1HB ASN 23 1HB ASN 23 5.429 7.978 -6.654 184 2HB ASN 23 2HB ASN 23 6.557 6.857 -5.894 185 2HD2 ASN 23 2HD2 ASN 23 7.200 9.350 -7.422 186 1HD2 ASN 23 1HD2 ASN 23 8.199 8.859 -8.703 187 H ILE 24 H ILE 24 5.065 3.399 -7.403 188 HA ILE 24 HA ILE 24 4.009 2.704 -4.901 189 HB ILE 24 HB ILE 24 6.033 1.127 -6.516 190 1HG1 ILE 24 1HG1 ILE 24 4.065 1.870 -7.792 191 2HG1 ILE 24 2HG1 ILE 24 4.039 0.134 -7.525 192 1HG2 ILE 24 1HG2 ILE 24 4.275 0.549 -4.181 193 2HG2 ILE 24 2HG2 ILE 24 4.392 -0.688 -5.445 194 3HG2 ILE 24 3HG2 ILE 24 5.846 -0.143 -4.599 195 1HD1 ILE 24 1HD1 ILE 24 2.566 2.132 -5.762 196 2HD1 ILE 24 2HD1 ILE 24 1.818 1.233 -7.089 197 3HD1 ILE 24 3HD1 ILE 24 2.458 0.355 -5.698 198 H LYS 25 H LYS 25 7.240 3.778 -5.712 199 HA LYS 25 HA LYS 25 8.579 2.844 -3.352 200 1HB LYS 25 1HB LYS 25 9.925 5.081 -3.734 201 2HB LYS 25 2HB LYS 25 10.095 3.747 -4.870 202 1HG LYS 25 1HG LYS 25 9.023 4.866 -6.550 203 2HG LYS 25 2HG LYS 25 7.877 5.624 -5.448 204 1HD LYS 25 1HD LYS 25 9.085 7.517 -5.453 205 2HD LYS 25 2HD LYS 25 10.499 6.635 -4.876 206 1HE LYS 25 1HE LYS 25 10.100 6.005 -7.644 207 2HE LYS 25 2HE LYS 25 10.079 7.757 -7.457 208 1HZ LYS 25 1HZ LYS 25 12.129 6.460 -5.917 209 2HZ LYS 25 2HZ LYS 25 12.302 6.228 -7.589 210 3HZ LYS 25 3HZ LYS 25 12.233 7.802 -6.953 211 H ASP 26 H ASP 26 6.662 5.769 -4.069 212 HA ASP 26 HA ASP 26 6.947 6.978 -1.492 213 1HB ASP 26 2HB ASP 26 4.937 8.239 -2.013 214 2HB ASP 26 1HB ASP 26 4.510 7.102 -3.285 215 H VAL 27 H VAL 27 4.773 4.584 -2.863 216 HA VAL 27 HA VAL 27 3.043 4.266 -0.612 217 HB VAL 27 HB VAL 27 4.057 2.046 -2.406 218 1HG1 VAL 27 1HG1 VAL 27 2.103 2.262 -0.249 219 2HG1 VAL 27 2HG1 VAL 27 1.382 1.656 -1.744 220 3HG1 VAL 27 3HG1 VAL 27 2.758 0.819 -1.025 221 1HG2 VAL 27 1HG2 VAL 27 3.137 4.102 -3.571 222 2HG2 VAL 27 2HG2 VAL 27 2.271 2.604 -3.911 223 3HG2 VAL 27 3HG2 VAL 27 1.603 3.774 -2.771 224 H MET 28 H MET 28 6.190 2.757 -1.374 225 HA MET 28 HA MET 28 6.299 1.305 1.149 226 1HB MET 28 2HB MET 28 8.599 0.808 0.520 227 2HB MET 28 1HB MET 28 8.576 2.078 -0.704 228 1HG MET 28 1HG MET 28 6.454 -0.016 -0.856 229 2HG MET 28 2HG MET 28 7.287 0.834 -2.158 230 1HE MET 28 1HE MET 28 9.283 0.689 -2.861 231 2HE MET 28 2HE MET 28 10.640 -0.084 -2.046 232 3HE MET 28 3HE MET 28 9.852 -0.900 -3.393 233 H ARG 29 H ARG 29 6.738 4.550 0.204 234 HA ARG 29 HA ARG 29 8.717 5.297 2.195 235 1HB ARG 29 1HB ARG 29 8.119 6.590 0.068 236 2HB ARG 29 2HB ARG 29 6.670 7.123 0.918 237 1HG ARG 29 1HG ARG 29 8.117 8.010 2.749 238 2HG ARG 29 2HG ARG 29 9.535 7.579 1.791 239 1HD ARG 29 1HD ARG 29 7.338 9.485 0.931 240 2HD ARG 29 2HD ARG 29 8.956 9.951 1.461 241 HE ARG 29 HE ARG 29 8.256 8.838 -1.155 242 1HH1 ARG 29 1HH1 ARG 29 10.201 7.204 -1.511 243 2HH1 ARG 29 2HH1 ARG 29 11.728 8.016 -1.418 244 1HH2 ARG 29 1HH2 ARG 29 10.436 10.825 0.154 245 2HH2 ARG 29 2HH2 ARG 29 11.861 10.067 -0.474 246 H TRP 30 H TRP 30 5.130 5.432 2.024 247 HA TRP 30 HA TRP 30 5.026 6.482 4.781 248 1HB TRP 30 2HB TRP 30 2.653 6.544 4.530 249 2HB TRP 30 1HB TRP 30 2.694 5.399 3.190 250 HD1 TRP 30 HD1 TRP 30 4.088 8.925 3.989 251 HE1 TRP 30 HE1 TRP 30 4.042 10.299 1.806 252 HE3 TRP 30 HE3 TRP 30 2.333 5.386 0.788 253 HZ2 TRP 30 HZ2 TRP 30 3.345 9.929 -0.951 254 HZ3 TRP 30 HZ3 TRP 30 1.982 5.906 -1.598 255 HH2 TRP 30 HH2 TRP 30 2.485 8.172 -2.483 256 H ASN 31 H ASN 31 4.552 3.388 3.120 257 HA ASN 31 HA ASN 31 3.808 2.114 5.687 258 1HB ASN 31 1HB ASN 31 4.159 0.916 2.925 259 2HB ASN 31 2HB ASN 31 3.545 0.071 4.347 260 2HD2 ASN 31 2HD2 ASN 31 2.784 2.666 2.021 261 1HD2 ASN 31 1HD2 ASN 31 1.128 2.729 2.381 262 H SER 32 H SER 32 5.206 0.894 6.870 263 HA SER 32 HA SER 32 8.019 0.794 5.925 264 1HB SER 32 1HB SER 32 8.262 1.592 8.050 265 2HB SER 32 2HB SER 32 6.698 0.963 8.561 266 HG SER 32 HG SER 32 8.755 -0.036 9.402 267 H ASP 33 H ASP 33 5.320 -1.199 6.762 268 HA ASP 33 HA ASP 33 6.950 -3.605 6.076 269 1HB ASP 33 1HB ASP 33 5.201 -3.064 8.387 270 2HB ASP 33 2HB ASP 33 4.866 -4.593 7.575 271 H THR 34 H THR 34 6.285 -3.755 3.926 272 HA THR 34 HA THR 34 3.404 -3.567 3.308 273 HB THR 34 HB THR 34 4.147 -3.851 0.962 274 HG1 THR 34 HG1 THR 34 5.920 -5.049 0.991 275 1HG2 THR 34 1HG2 THR 34 5.065 -1.740 2.789 276 2HG2 THR 34 2HG2 THR 34 5.979 -1.824 1.283 277 3HG2 THR 34 3HG2 THR 34 4.229 -1.606 1.241 278 H ALA 35 H ALA 35 4.600 -5.819 4.949 279 HA ALA 35 HA ALA 35 4.582 -8.201 3.352 280 1HB ALA 35 3HB ALA 35 5.532 -8.728 5.361 281 2HB ALA 35 1HB ALA 35 4.579 -7.531 6.235 282 3HB ALA 35 2HB ALA 35 3.869 -9.091 5.821 283 H ASN 36 H ASN 36 2.072 -6.084 4.115 284 HA ASN 36 HA ASN 36 0.005 -8.150 4.336 285 1HB ASN 36 1HB ASN 36 0.158 -5.534 5.180 286 2HB ASN 36 2HB ASN 36 -0.840 -5.395 3.733 287 2HD2 ASN 36 2HD2 ASN 36 -2.271 -4.836 5.925 288 1HD2 ASN 36 1HD2 ASN 36 -3.235 -6.138 6.427 289 H LEU 37 H LEU 37 1.848 -7.142 1.789 290 HA LEU 37 HA LEU 37 -0.269 -6.698 -0.170 291 1HB LEU 37 1HB LEU 37 2.704 -7.205 -0.382 292 2HB LEU 37 2HB LEU 37 1.669 -7.147 -1.810 293 HG LEU 37 HG LEU 37 1.245 -4.896 -1.593 294 1HD1 LEU 37 1HD1 LEU 37 1.799 -5.217 1.366 295 2HD1 LEU 37 2HD1 LEU 37 1.493 -3.666 0.593 296 3HD1 LEU 37 3HD1 LEU 37 0.241 -4.907 0.604 297 1HD2 LEU 37 1HD2 LEU 37 3.909 -5.296 -0.210 298 2HD2 LEU 37 2HD2 LEU 37 3.636 -5.096 -1.939 299 3HD2 LEU 37 3HD2 LEU 37 3.344 -3.748 -0.841 300 H GLN 38 H GLN 38 -1.469 -8.665 0.547 301 HA GLN 38 HA GLN 38 -0.388 -11.177 -0.630 302 1HB GLN 38 1HB GLN 38 -2.783 -10.994 1.203 303 2HB GLN 38 2HB GLN 38 -1.736 -12.379 0.902 304 1HG GLN 38 1HG GLN 38 -0.625 -9.873 2.153 305 2HG GLN 38 2HG GLN 38 -1.451 -11.078 3.139 306 2HE2 GLN 38 2HE2 GLN 38 0.451 -11.858 4.227 307 1HE2 GLN 38 1HE2 GLN 38 1.690 -12.685 3.414 308 HA PRO 39 HA PRO 39 -3.457 -10.962 -3.674 309 1HB PRO 39 1HB PRO 39 -4.388 -13.566 -3.807 310 2HB PRO 39 2HB PRO 39 -2.845 -13.026 -4.494 311 1HG PRO 39 2HG PRO 39 -1.944 -14.602 -3.052 312 2HG PRO 39 1HG PRO 39 -3.348 -14.555 -1.971 313 1HD PRO 39 1HD PRO 39 -2.018 -13.240 -0.612 314 2HD PRO 39 2HD PRO 39 -0.872 -12.898 -1.926 315 H GLY 40 H GLY 40 -4.794 -9.608 -2.376 316 1HA GLY 40 1HA GLY 40 -7.363 -9.641 -2.197 317 2HA GLY 40 2HA GLY 40 -7.102 -10.954 -1.049 318 H ASP 41 H ASP 41 -4.685 -8.422 -0.996 319 HA ASP 41 HA ASP 41 -5.994 -7.388 1.503 320 1HB ASP 41 1HB ASP 41 -3.367 -8.421 1.016 321 2HB ASP 41 2HB ASP 41 -3.235 -6.715 1.445 322 H LYS 42 H LYS 42 -5.945 -5.097 1.844 323 HA LYS 42 HA LYS 42 -5.858 -3.542 -0.634 324 1HB LYS 42 1HB LYS 42 -6.693 -3.024 2.202 325 2HB LYS 42 2HB LYS 42 -6.418 -1.664 1.114 326 1HG LYS 42 1HG LYS 42 -8.089 -2.405 -0.410 327 2HG LYS 42 2HG LYS 42 -8.172 -3.999 0.342 328 1HD LYS 42 1HD LYS 42 -9.187 -3.094 2.330 329 2HD LYS 42 2HD LYS 42 -8.905 -1.441 1.784 330 1HE LYS 42 1HE LYS 42 -10.307 -2.612 -0.324 331 2HE LYS 42 2HE LYS 42 -11.090 -3.257 1.118 332 1HZ LYS 42 1HZ LYS 42 -10.566 -0.523 1.503 333 2HZ LYS 42 2HZ LYS 42 -11.360 -0.714 0.013 334 3HZ LYS 42 3HZ LYS 42 -12.065 -1.312 1.439 335 H LEU 43 H LEU 43 -4.610 -1.534 -0.800 336 HA LEU 43 HA LEU 43 -2.167 -1.427 0.893 337 1HB LEU 43 1HB LEU 43 -2.352 -2.322 -1.838 338 2HB LEU 43 2HB LEU 43 -1.384 -0.852 -1.762 339 HG LEU 43 HG LEU 43 -0.934 -3.487 -0.353 340 1HD1 LEU 43 1HD1 LEU 43 0.424 -1.785 -2.381 341 2HD1 LEU 43 2HD1 LEU 43 1.441 -2.722 -1.288 342 3HD1 LEU 43 3HD1 LEU 43 0.259 -3.539 -2.310 343 1HD2 LEU 43 1HD2 LEU 43 -0.356 -0.812 0.664 344 2HD2 LEU 43 2HD2 LEU 43 -0.162 -2.377 1.463 345 3HD2 LEU 43 3HD2 LEU 43 1.120 -1.749 0.425 346 H THR 44 H THR 44 -1.534 0.670 1.314 347 HA THR 44 HA THR 44 -3.249 2.836 0.532 348 HB THR 44 HB THR 44 -0.797 2.529 2.189 349 HG1 THR 44 HG1 THR 44 -3.205 3.993 2.492 350 1HG2 THR 44 1HG2 THR 44 -1.699 5.165 0.987 351 2HG2 THR 44 2HG2 THR 44 -0.603 5.029 2.358 352 3HG2 THR 44 3HG2 THR 44 -0.117 4.407 0.777 353 H LEU 45 H LEU 45 -3.116 3.992 -1.325 354 HA LEU 45 HA LEU 45 -0.478 4.064 -2.729 355 1HB LEU 45 1HB LEU 45 -3.283 3.903 -3.785 356 2HB LEU 45 2HB LEU 45 -2.074 4.773 -4.729 357 HG LEU 45 HG LEU 45 -1.500 2.002 -3.713 358 1HD1 LEU 45 1HD1 LEU 45 -3.027 2.840 -6.184 359 2HD1 LEU 45 2HD1 LEU 45 -2.328 1.234 -5.965 360 3HD1 LEU 45 3HD1 LEU 45 -3.604 1.795 -4.884 361 1HD2 LEU 45 1HD2 LEU 45 0.323 3.428 -4.694 362 2HD2 LEU 45 2HD2 LEU 45 -0.009 1.983 -5.654 363 3HD2 LEU 45 3HD2 LEU 45 -0.632 3.546 -6.177 364 H PHE 46 H PHE 46 -0.661 5.838 -0.752 365 HA PHE 46 HA PHE 46 -2.036 8.272 -1.162 366 1HB PHE 46 1HB PHE 46 0.452 7.457 0.243 367 2HB PHE 46 2HB PHE 46 0.320 9.168 -0.151 368 HD1 PHE 46 HD1 PHE 46 -2.624 9.570 0.065 369 HD2 PHE 46 HD2 PHE 46 0.099 7.376 2.562 370 HE1 PHE 46 HE1 PHE 46 -4.143 9.885 1.999 371 HE2 PHE 46 HE2 PHE 46 -1.421 7.690 4.495 372 HZ PHE 46 HZ PHE 46 -3.541 8.943 4.213 373 H VAL 47 H VAL 47 0.572 6.821 -2.813 374 HA VAL 47 HA VAL 47 2.070 8.710 -4.042 375 HB VAL 47 HB VAL 47 1.772 7.186 -6.134 376 1HG1 VAL 47 1HG1 VAL 47 2.728 6.297 -3.424 377 2HG1 VAL 47 2HG1 VAL 47 2.885 5.247 -4.839 378 3HG1 VAL 47 3HG1 VAL 47 3.682 6.828 -4.810 379 1HG2 VAL 47 1HG2 VAL 47 -0.471 6.319 -5.434 380 2HG2 VAL 47 2HG2 VAL 47 0.713 5.026 -5.674 381 3HG2 VAL 47 3HG2 VAL 47 0.297 5.555 -4.045 382 H LYS 48 H LYS 48 1.814 10.251 -5.653 383 HA LYS 48 HA LYS 48 -1.001 10.771 -6.511 384 1HB LYS 48 1HB LYS 48 1.003 12.467 -5.398 385 2HB LYS 48 2HB LYS 48 0.729 12.987 -7.061 386 1HG LYS 48 2HG LYS 48 -1.835 12.491 -6.131 387 2HG LYS 48 1HG LYS 48 -1.083 14.081 -6.262 388 1HD LYS 48 1HD LYS 48 -0.753 12.312 -3.828 389 2HD LYS 48 2HD LYS 48 -0.365 14.025 -3.977 390 1HE LYS 48 1HE LYS 48 -2.599 14.680 -3.902 391 2HE LYS 48 2HE LYS 48 -3.180 13.121 -4.488 392 1HZ LYS 48 1HZ LYS 48 -1.851 12.620 -2.115 393 2HZ LYS 48 2HZ LYS 48 -2.810 13.992 -1.824 394 3HZ LYS 48 3HZ LYS 48 -3.528 12.562 -2.388 No H/Q in entry = 394 Start of MODEL 3 1 H1 ASP 1 1H ASP 1 -5.831 13.096 1.059 2 H2 ASP 1 2H ASP 1 -6.902 12.999 -0.256 3 H3 ASP 1 3H ASP 1 -7.357 13.829 1.155 4 HA ASP 1 HA ASP 1 -7.690 11.915 2.365 5 1HB ASP 1 2HB ASP 1 -9.043 10.437 0.927 6 2HB ASP 1 1HB ASP 1 -8.331 11.174 -0.507 7 H SER 2 H SER 2 -7.649 9.262 1.840 8 HA SER 2 HA SER 2 -4.785 8.685 1.192 9 1HB SER 2 1HB SER 2 -4.963 6.841 2.886 10 2HB SER 2 2HB SER 2 -5.124 8.450 3.586 11 HG SER 2 HG SER 2 -7.061 7.930 4.182 12 H ILE 3 H ILE 3 -4.446 6.988 -0.214 13 HA ILE 3 HA ILE 3 -6.820 5.790 -1.438 14 HB ILE 3 HB ILE 3 -3.888 5.687 -2.170 15 1HG1 ILE 3 1HG1 ILE 3 -6.274 7.114 -3.378 16 2HG1 ILE 3 2HG1 ILE 3 -4.874 7.862 -2.606 17 1HG2 ILE 3 1HG2 ILE 3 -5.171 3.617 -2.809 18 2HG2 ILE 3 2HG2 ILE 3 -6.253 4.644 -3.751 19 3HG2 ILE 3 3HG2 ILE 3 -4.547 4.524 -4.188 20 1HD1 ILE 3 1HD1 ILE 3 -3.734 6.208 -4.527 21 2HD1 ILE 3 2HD1 ILE 3 -5.164 6.847 -5.337 22 3HD1 ILE 3 3HD1 ILE 3 -3.959 7.952 -4.675 23 H THR 4 H THR 4 -7.226 3.543 -1.401 24 HA THR 4 HA THR 4 -5.346 1.888 0.223 25 HB THR 4 HB THR 4 -8.278 1.363 0.424 26 HG1 THR 4 HG1 THR 4 -8.439 3.407 1.013 27 1HG2 THR 4 1HG2 THR 4 -6.000 0.273 1.525 28 2HG2 THR 4 2HG2 THR 4 -6.557 1.351 2.805 29 3HG2 THR 4 3HG2 THR 4 -7.627 0.093 2.184 30 H TYR 5 H TYR 5 -4.637 0.304 -1.159 31 HA TYR 5 HA TYR 5 -6.642 -0.731 -3.119 32 1HB TYR 5 1HB TYR 5 -5.095 -0.737 -4.792 33 2HB TYR 5 2HB TYR 5 -4.438 0.578 -3.829 34 HD1 TYR 5 HD1 TYR 5 -4.128 -3.140 -4.367 35 HD2 TYR 5 HD2 TYR 5 -2.263 0.478 -2.988 36 HE1 TYR 5 HE1 TYR 5 -1.965 -4.295 -4.256 37 HE2 TYR 5 HE2 TYR 5 -0.093 -0.705 -2.852 38 HH TYR 5 HH TYR 5 0.191 -4.109 -3.862 39 H ARG 6 H ARG 6 -6.995 -2.885 -3.197 40 HA ARG 6 HA ARG 6 -5.719 -4.511 -1.110 41 1HB ARG 6 1HB ARG 6 -8.253 -4.501 -2.270 42 2HB ARG 6 2HB ARG 6 -7.488 -5.934 -2.954 43 1HG ARG 6 2HG ARG 6 -6.719 -6.136 -0.342 44 2HG ARG 6 1HG ARG 6 -8.146 -6.925 -1.013 45 1HD ARG 6 1HD ARG 6 -8.246 -5.269 1.126 46 2HD ARG 6 2HD ARG 6 -8.488 -4.096 -0.169 47 HE ARG 6 HE ARG 6 -10.348 -5.767 -0.927 48 1HH1 ARG 6 1HH1 ARG 6 -9.862 -7.465 1.566 49 2HH1 ARG 6 2HH1 ARG 6 -11.130 -6.901 2.603 50 1HH2 ARG 6 1HH2 ARG 6 -11.756 -4.052 0.727 51 2HH2 ARG 6 2HH2 ARG 6 -12.203 -4.967 2.128 52 H VAL 7 H VAL 7 -3.963 -5.606 -1.474 53 HA VAL 7 HA VAL 7 -2.863 -5.930 -4.151 54 HB VAL 7 HB VAL 7 -1.882 -7.194 -1.589 55 1HG1 VAL 7 1HG1 VAL 7 -0.881 -6.867 -4.294 56 2HG1 VAL 7 2HG1 VAL 7 0.202 -6.085 -3.129 57 3HG1 VAL 7 3HG1 VAL 7 -0.204 -7.799 -2.956 58 1HG2 VAL 7 1HG2 VAL 7 -2.341 -4.409 -2.130 59 2HG2 VAL 7 2HG2 VAL 7 -1.574 -5.144 -0.708 60 3HG2 VAL 7 3HG2 VAL 7 -0.586 -4.704 -2.108 61 H ARG 8 H ARG 8 -3.725 -7.523 -5.420 62 HA ARG 8 HA ARG 8 -4.675 -10.018 -4.108 63 1HB ARG 8 1HB ARG 8 -5.568 -8.481 -6.344 64 2HB ARG 8 2HB ARG 8 -5.081 -10.071 -6.937 65 1HG ARG 8 1HG ARG 8 -6.558 -11.192 -5.433 66 2HG ARG 8 2HG ARG 8 -6.844 -9.719 -4.505 67 1HD ARG 8 1HD ARG 8 -7.978 -8.703 -6.431 68 2HD ARG 8 2HD ARG 8 -7.662 -10.147 -7.393 69 HE ARG 8 HE ARG 8 -9.066 -10.848 -4.981 70 1HH1 ARG 8 1HH1 ARG 8 -9.881 -12.146 -7.419 71 2HH1 ARG 8 2HH1 ARG 8 -11.345 -11.335 -7.868 72 1HH2 ARG 8 1HH2 ARG 8 -10.761 -8.591 -5.829 73 2HH2 ARG 8 2HH2 ARG 8 -11.843 -9.321 -6.967 74 H LYS 9 H LYS 9 -4.039 -12.110 -5.113 75 HA LYS 9 HA LYS 9 -1.242 -12.398 -5.337 76 1HB LYS 9 1HB LYS 9 -1.725 -14.622 -6.365 77 2HB LYS 9 2HB LYS 9 -2.657 -14.331 -4.897 78 1HG LYS 9 1HG LYS 9 -4.022 -13.354 -7.294 79 2HG LYS 9 2HG LYS 9 -3.706 -15.088 -7.358 80 1HD LYS 9 1HD LYS 9 -4.606 -14.368 -4.715 81 2HD LYS 9 2HD LYS 9 -5.752 -13.771 -5.916 82 1HE LYS 9 1HE LYS 9 -4.779 -16.490 -6.468 83 2HE LYS 9 2HE LYS 9 -5.682 -16.352 -4.958 84 1HZ LYS 9 1HZ LYS 9 -7.412 -15.143 -6.259 85 2HZ LYS 9 2HZ LYS 9 -6.578 -15.573 -7.675 86 3HZ LYS 9 3HZ LYS 9 -7.231 -16.780 -6.678 87 H GLY 10 H GLY 10 0.177 -12.315 -7.052 88 1HA GLY 10 1HA GLY 10 0.864 -12.122 -9.326 89 2HA GLY 10 2HA GLY 10 -0.832 -12.069 -9.807 90 H ASP 11 H ASP 11 -0.771 -9.908 -7.362 91 HA ASP 11 HA ASP 11 -0.642 -7.637 -9.205 92 1HB ASP 11 1HB ASP 11 -1.298 -7.922 -6.275 93 2HB ASP 11 2HB ASP 11 -1.125 -6.344 -7.036 94 H SER 12 H SER 12 0.803 -5.831 -8.904 95 HA SER 12 HA SER 12 3.268 -6.536 -7.361 96 1HB SER 12 1HB SER 12 3.172 -6.399 -10.079 97 2HB SER 12 2HB SER 12 3.550 -4.725 -9.688 98 HG SER 12 HG SER 12 4.945 -7.060 -8.875 99 H LEU 13 H LEU 13 3.924 -4.982 -5.961 100 HA LEU 13 HA LEU 13 2.325 -2.807 -5.146 101 1HB LEU 13 1HB LEU 13 5.256 -3.442 -4.901 102 2HB LEU 13 2HB LEU 13 4.622 -1.922 -4.281 103 HG LEU 13 HG LEU 13 4.699 -3.839 -2.599 104 1HD1 LEU 13 1HD1 LEU 13 2.494 -2.023 -3.231 105 2HD1 LEU 13 2HD1 LEU 13 1.992 -3.428 -2.279 106 3HD1 LEU 13 3HD1 LEU 13 3.266 -2.358 -1.680 107 1HD2 LEU 13 1HD2 LEU 13 2.369 -4.819 -4.284 108 2HD2 LEU 13 2HD2 LEU 13 3.925 -5.636 -4.117 109 3HD2 LEU 13 3HD2 LEU 13 2.854 -5.476 -2.724 110 H SER 14 H SER 14 5.235 -2.610 -7.230 111 HA SER 14 HA SER 14 4.885 0.145 -7.842 112 1HB SER 14 1HB SER 14 6.496 -2.091 -8.872 113 2HB SER 14 2HB SER 14 6.099 -0.885 -10.093 114 HG SER 14 HG SER 14 7.493 0.375 -9.176 115 H SER 15 H SER 15 3.764 -2.791 -9.549 116 HA SER 15 HA SER 15 2.580 -1.531 -11.789 117 1HB SER 15 1HB SER 15 1.832 -4.063 -10.327 118 2HB SER 15 2HB SER 15 1.059 -3.559 -11.827 119 HG SER 15 HG SER 15 2.752 -4.232 -12.860 120 H ILE 16 H ILE 16 1.209 -2.286 -8.642 121 HA ILE 16 HA ILE 16 -1.424 -1.311 -9.119 122 HB ILE 16 HB ILE 16 0.255 -1.570 -6.619 123 1HG1 ILE 16 1HG1 ILE 16 -2.267 -2.930 -6.576 124 2HG1 ILE 16 2HG1 ILE 16 -1.497 -3.267 -8.126 125 1HG2 ILE 16 1HG2 ILE 16 -2.127 0.060 -7.057 126 2HG2 ILE 16 2HG2 ILE 16 -2.379 -1.166 -5.821 127 3HG2 ILE 16 3HG2 ILE 16 -1.061 -0.006 -5.654 128 1HD1 ILE 16 1HD1 ILE 16 0.449 -3.398 -5.990 129 2HD1 ILE 16 2HD1 ILE 16 -0.909 -4.464 -5.643 130 3HD1 ILE 16 3HD1 ILE 16 -0.011 -4.645 -7.148 131 H ALA 17 H ALA 17 1.519 0.319 -7.903 132 HA ALA 17 HA ALA 17 0.462 2.898 -7.464 133 1HB ALA 17 2HB ALA 17 2.895 3.325 -8.792 134 2HB ALA 17 1HB ALA 17 3.077 1.760 -8.002 135 3HB ALA 17 3HB ALA 17 2.655 3.186 -7.052 136 H LYS 18 H LYS 18 1.685 1.446 -10.499 137 HA LYS 18 HA LYS 18 1.403 3.622 -12.236 138 1HB LYS 18 1HB LYS 18 1.752 0.818 -12.495 139 2HB LYS 18 2HB LYS 18 0.423 1.270 -13.564 140 1HG LYS 18 2HG LYS 18 1.872 3.130 -14.452 141 2HG LYS 18 1HG LYS 18 2.480 1.513 -14.808 142 1HD LYS 18 1HD LYS 18 3.528 2.229 -12.273 143 2HD LYS 18 2HD LYS 18 4.412 2.066 -13.790 144 1HE LYS 18 1HE LYS 18 4.768 4.285 -13.804 145 2HE LYS 18 2HE LYS 18 3.027 4.550 -13.891 146 1HZ LYS 18 1HZ LYS 18 3.252 4.003 -11.329 147 2HZ LYS 18 2HZ LYS 18 4.812 4.624 -11.582 148 3HZ LYS 18 3HZ LYS 18 3.448 5.575 -11.933 149 H ARG 19 H ARG 19 -1.139 1.421 -11.075 150 HA ARG 19 HA ARG 19 -3.253 2.287 -12.748 151 1HB ARG 19 1HB ARG 19 -2.970 0.780 -10.301 152 2HB ARG 19 2HB ARG 19 -4.349 1.871 -10.175 153 1HG ARG 19 1HG ARG 19 -4.426 0.769 -12.784 154 2HG ARG 19 2HG ARG 19 -4.125 -0.571 -11.678 155 1HD ARG 19 1HD ARG 19 -6.249 -0.508 -10.942 156 2HD ARG 19 2HD ARG 19 -6.100 1.205 -10.551 157 HE ARG 19 HE ARG 19 -6.535 0.576 -13.399 158 1HH1 ARG 19 1HH1 ARG 19 -8.239 0.712 -10.450 159 2HH1 ARG 19 2HH1 ARG 19 -9.492 1.745 -11.050 160 1HH2 ARG 19 1HH2 ARG 19 -7.985 2.245 -14.131 161 2HH2 ARG 19 2HH2 ARG 19 -9.351 2.609 -13.130 162 H HIS 20 H HIS 20 -1.785 3.820 -9.941 163 HA HIS 20 HA HIS 20 -3.723 6.079 -10.248 164 1HB HIS 20 2HB HIS 20 -3.904 6.202 -7.999 165 2HB HIS 20 1HB HIS 20 -2.163 6.134 -7.791 166 HD1 HIS 20 HD1 HIS 20 -5.228 4.016 -7.726 167 HD2 HIS 20 HD2 HIS 20 -1.110 3.466 -7.449 168 HE1 HIS 20 HE1 HIS 20 -4.849 1.677 -6.830 169 H GLY 21 H GLY 21 -0.786 5.324 -11.343 170 1HA GLY 21 1HA GLY 21 1.192 6.529 -11.789 171 2HA GLY 21 2HA GLY 21 0.130 7.943 -11.817 172 H VAL 22 H VAL 22 1.192 5.696 -9.259 173 HA VAL 22 HA VAL 22 1.889 8.095 -7.620 174 HB VAL 22 HB VAL 22 1.467 6.220 -5.758 175 1HG1 VAL 22 1HG1 VAL 22 -0.525 7.983 -7.189 176 2HG1 VAL 22 2HG1 VAL 22 -0.929 7.112 -5.708 177 3HG1 VAL 22 3HG1 VAL 22 0.352 8.326 -5.698 178 1HG2 VAL 22 1HG2 VAL 22 0.894 4.559 -7.556 179 2HG2 VAL 22 2HG2 VAL 22 -0.357 4.777 -6.335 180 3HG2 VAL 22 3HG2 VAL 22 -0.530 5.537 -7.918 181 H ASN 23 H ASN 23 3.420 7.445 -5.736 182 HA ASN 23 HA ASN 23 5.688 5.925 -6.936 183 1HB ASN 23 1HB ASN 23 5.527 8.105 -4.856 184 2HB ASN 23 2HB ASN 23 6.988 7.148 -5.089 185 2HD2 ASN 23 2HD2 ASN 23 4.990 9.676 -6.478 186 1HD2 ASN 23 1HD2 ASN 23 6.006 10.021 -7.793 187 H ILE 24 H ILE 24 5.158 3.816 -6.286 188 HA ILE 24 HA ILE 24 4.150 3.023 -3.792 189 HB ILE 24 HB ILE 24 6.137 1.517 -5.514 190 1HG1 ILE 24 1HG1 ILE 24 4.122 2.312 -6.693 191 2HG1 ILE 24 2HG1 ILE 24 4.128 0.563 -6.516 192 1HG2 ILE 24 1HG2 ILE 24 4.477 0.856 -3.137 193 2HG2 ILE 24 2HG2 ILE 24 4.499 -0.329 -4.454 194 3HG2 ILE 24 3HG2 ILE 24 6.009 0.151 -3.667 195 1HD1 ILE 24 1HD1 ILE 24 2.679 2.454 -4.620 196 2HD1 ILE 24 2HD1 ILE 24 1.906 1.592 -5.957 197 3HD1 ILE 24 3HD1 ILE 24 2.607 0.673 -4.625 198 H LYS 25 H LYS 25 7.365 4.143 -4.613 199 HA LYS 25 HA LYS 25 8.721 3.095 -2.307 200 1HB LYS 25 1HB LYS 25 10.305 4.988 -2.648 201 2HB LYS 25 2HB LYS 25 10.013 4.078 -4.126 202 1HG LYS 25 1HG LYS 25 8.057 5.919 -4.361 203 2HG LYS 25 2HG LYS 25 9.215 6.858 -3.421 204 1HD LYS 25 2HD LYS 25 10.934 5.898 -5.193 205 2HD LYS 25 1HD LYS 25 9.957 7.317 -5.569 206 1HE LYS 25 1HE LYS 25 8.637 4.745 -6.156 207 2HE LYS 25 2HE LYS 25 8.741 6.206 -7.138 208 1HZ LYS 25 1HZ LYS 25 11.060 5.610 -7.635 209 2HZ LYS 25 2HZ LYS 25 10.854 4.152 -6.788 210 3HZ LYS 25 3HZ LYS 25 9.955 4.450 -8.195 211 H ASP 26 H ASP 26 6.769 6.009 -2.911 212 HA ASP 26 HA ASP 26 7.126 7.181 -0.318 213 1HB ASP 26 1HB ASP 26 4.682 7.309 -2.107 214 2HB ASP 26 2HB ASP 26 5.024 8.378 -0.755 215 H VAL 27 H VAL 27 4.927 4.818 -1.699 216 HA VAL 27 HA VAL 27 3.273 4.406 0.595 217 HB VAL 27 HB VAL 27 4.226 2.253 -1.310 218 1HG1 VAL 27 1HG1 VAL 27 2.370 2.377 0.917 219 2HG1 VAL 27 2HG1 VAL 27 1.544 1.908 -0.570 220 3HG1 VAL 27 3HG1 VAL 27 2.924 0.971 0.006 221 1HG2 VAL 27 1HG2 VAL 27 3.284 4.369 -2.368 222 2HG2 VAL 27 2HG2 VAL 27 2.426 2.878 -2.763 223 3HG2 VAL 27 3HG2 VAL 27 1.765 3.990 -1.564 224 H MET 28 H MET 28 6.399 2.954 -0.330 225 HA MET 28 HA MET 28 6.595 1.394 2.124 226 1HB MET 28 1HB MET 28 8.853 2.243 0.287 227 2HB MET 28 2HB MET 28 8.826 0.860 1.382 228 1HG MET 28 1HG MET 28 6.561 0.790 -0.436 229 2HG MET 28 2HG MET 28 8.082 0.864 -1.324 230 1HE MET 28 1HE MET 28 5.689 -1.398 -0.840 231 2HE MET 28 2HE MET 28 6.887 -1.564 -2.131 232 3HE MET 28 3HE MET 28 6.618 -2.887 -0.999 233 H ARG 29 H ARG 29 6.983 4.677 1.313 234 HA ARG 29 HA ARG 29 9.036 5.334 3.267 235 1HB ARG 29 1HB ARG 29 8.393 6.717 1.211 236 2HB ARG 29 2HB ARG 29 6.964 7.215 2.116 237 1HG ARG 29 1HG ARG 29 8.412 8.073 3.927 238 2HG ARG 29 2HG ARG 29 9.837 7.602 2.999 239 1HD ARG 29 1HD ARG 29 8.314 9.075 1.187 240 2HD ARG 29 2HD ARG 29 8.138 9.955 2.704 241 HE ARG 29 HE ARG 29 10.885 9.190 1.903 242 1HH1 ARG 29 1HH1 ARG 29 11.616 11.060 3.511 243 2HH1 ARG 29 2HH1 ARG 29 11.278 12.622 2.842 244 1HH2 ARG 29 1HH2 ARG 29 9.053 11.419 0.471 245 2HH2 ARG 29 2HH2 ARG 29 9.827 12.824 1.120 246 H TRP 30 H TRP 30 5.452 5.478 3.192 247 HA TRP 30 HA TRP 30 5.399 6.438 5.979 248 1HB TRP 30 2HB TRP 30 3.010 6.436 5.783 249 2HB TRP 30 1HB TRP 30 3.058 5.350 4.395 250 HD1 TRP 30 HD1 TRP 30 4.426 8.861 5.307 251 HE1 TRP 30 HE1 TRP 30 4.292 10.331 3.191 252 HE3 TRP 30 HE3 TRP 30 2.592 5.450 2.010 253 HZ2 TRP 30 HZ2 TRP 30 3.502 10.077 0.446 254 HZ3 TRP 30 HZ3 TRP 30 2.154 6.074 -0.336 255 HH2 TRP 30 HH2 TRP 30 2.605 8.380 -1.135 256 H ASN 31 H ASN 31 4.804 3.389 4.242 257 HA ASN 31 HA ASN 31 4.338 2.032 6.838 258 1HB ASN 31 1HB ASN 31 4.328 0.861 4.046 259 2HB ASN 31 2HB ASN 31 3.750 0.086 5.523 260 2HD2 ASN 31 2HD2 ASN 31 3.018 2.640 3.159 261 1HD2 ASN 31 1HD2 ASN 31 1.416 2.883 3.661 262 H SER 32 H SER 32 5.846 0.751 7.786 263 HA SER 32 HA SER 32 8.539 0.698 6.577 264 1HB SER 32 1HB SER 32 7.422 0.383 9.291 265 2HB SER 32 2HB SER 32 8.796 -0.657 8.926 266 HG SER 32 HG SER 32 8.859 2.065 8.228 267 H ASP 33 H ASP 33 7.075 -1.827 8.512 268 HA ASP 33 HA ASP 33 8.054 -3.854 6.648 269 1HB ASP 33 2HB ASP 33 8.048 -4.272 9.098 270 2HB ASP 33 1HB ASP 33 7.101 -5.476 8.229 271 H THR 34 H THR 34 6.939 -4.040 4.757 272 HA THR 34 HA THR 34 4.049 -3.484 4.711 273 HB THR 34 HB THR 34 4.339 -3.944 2.236 274 HG1 THR 34 HG1 THR 34 6.104 -4.960 1.780 275 1HG2 THR 34 1HG2 THR 34 5.693 -1.813 3.817 276 2HG2 THR 34 2HG2 THR 34 6.075 -1.901 2.097 277 3HG2 THR 34 3HG2 THR 34 4.405 -1.679 2.620 278 H ALA 35 H ALA 35 4.675 -5.750 6.275 279 HA ALA 35 HA ALA 35 4.398 -8.195 4.783 280 1HB ALA 35 3HB ALA 35 5.276 -8.206 7.071 281 2HB ALA 35 2HB ALA 35 3.812 -9.187 6.991 282 3HB ALA 35 1HB ALA 35 3.750 -7.564 7.677 283 H ASN 36 H ASN 36 2.231 -5.667 5.363 284 HA ASN 36 HA ASN 36 -0.177 -7.317 5.493 285 1HB ASN 36 1HB ASN 36 0.377 -4.744 6.240 286 2HB ASN 36 2HB ASN 36 -0.429 -4.484 4.693 287 2HD2 ASN 36 2HD2 ASN 36 -2.019 -3.521 6.521 288 1HD2 ASN 36 1HD2 ASN 36 -3.227 -4.596 7.039 289 H LEU 37 H LEU 37 1.976 -6.717 3.035 290 HA LEU 37 HA LEU 37 -0.037 -6.234 0.937 291 1HB LEU 37 1HB LEU 37 2.954 -6.695 0.890 292 2HB LEU 37 2HB LEU 37 1.986 -6.639 -0.585 293 HG LEU 37 HG LEU 37 1.379 -4.385 -0.247 294 1HD1 LEU 37 1HD1 LEU 37 2.319 -4.809 2.593 295 2HD1 LEU 37 2HD1 LEU 37 2.063 -3.203 1.921 296 3HD1 LEU 37 3HD1 LEU 37 0.715 -4.330 2.040 297 1HD2 LEU 37 1HD2 LEU 37 4.233 -4.816 0.666 298 2HD2 LEU 37 2HD2 LEU 37 3.670 -4.530 -0.979 299 3HD2 LEU 37 3HD2 LEU 37 3.580 -3.239 0.221 300 H GLN 38 H GLN 38 -1.160 -8.261 1.773 301 HA GLN 38 HA GLN 38 0.020 -10.729 0.603 302 1HB GLN 38 2HB GLN 38 -0.986 -11.939 2.280 303 2HB GLN 38 1HB GLN 38 -2.400 -10.888 2.325 304 1HG GLN 38 1HG GLN 38 0.247 -9.822 3.258 305 2HG GLN 38 2HG GLN 38 -1.379 -9.364 3.765 306 2HE2 GLN 38 2HE2 GLN 38 1.235 -11.662 4.298 307 1HE2 GLN 38 1HE2 GLN 38 0.533 -12.432 5.637 308 HA PRO 39 HA PRO 39 -3.066 -10.707 -2.414 309 1HB PRO 39 1HB PRO 39 -3.911 -13.340 -2.485 310 2HB PRO 39 2HB PRO 39 -2.388 -12.765 -3.187 311 1HG PRO 39 2HG PRO 39 -1.434 -14.278 -1.711 312 2HG PRO 39 1HG PRO 39 -2.837 -14.250 -0.627 313 1HD PRO 39 1HD PRO 39 -1.544 -12.861 0.696 314 2HD PRO 39 2HD PRO 39 -0.418 -12.509 -0.634 315 H GLY 40 H GLY 40 -4.490 -9.365 -1.209 316 1HA GLY 40 1HA GLY 40 -7.047 -9.493 -1.052 317 2HA GLY 40 2HA GLY 40 -6.760 -10.773 0.126 318 H ASP 41 H ASP 41 -4.385 -8.248 0.264 319 HA ASP 41 HA ASP 41 -5.841 -7.145 2.646 320 1HB ASP 41 1HB ASP 41 -2.907 -7.575 2.099 321 2HB ASP 41 2HB ASP 41 -3.466 -6.491 3.372 322 H LYS 42 H LYS 42 -5.780 -4.841 2.944 323 HA LYS 42 HA LYS 42 -5.554 -3.372 0.421 324 1HB LYS 42 1HB LYS 42 -6.634 -1.586 1.540 325 2HB LYS 42 2HB LYS 42 -7.369 -3.043 2.205 326 1HG LYS 42 1HG LYS 42 -5.091 -2.539 3.795 327 2HG LYS 42 2HG LYS 42 -5.886 -0.978 3.576 328 1HD LYS 42 1HD LYS 42 -7.891 -1.721 4.546 329 2HD LYS 42 2HD LYS 42 -7.495 -3.421 4.288 330 1HE LYS 42 1HE LYS 42 -6.241 -3.552 6.188 331 2HE LYS 42 2HE LYS 42 -5.585 -1.928 5.983 332 1HZ LYS 42 1HZ LYS 42 -8.424 -2.263 6.661 333 2HZ LYS 42 2HZ LYS 42 -7.255 -2.418 7.884 334 3HZ LYS 42 3HZ LYS 42 -7.383 -0.969 7.005 335 H LEU 43 H LEU 43 -4.303 -1.364 0.262 336 HA LEU 43 HA LEU 43 -1.904 -1.274 2.021 337 1HB LEU 43 1HB LEU 43 -2.019 -2.140 -0.695 338 2HB LEU 43 2HB LEU 43 -1.182 -0.591 -0.657 339 HG LEU 43 HG LEU 43 -0.423 -3.193 0.627 340 1HD1 LEU 43 1HD1 LEU 43 0.891 -0.999 -0.964 341 2HD1 LEU 43 2HD1 LEU 43 1.842 -2.227 -0.128 342 3HD1 LEU 43 3HD1 LEU 43 0.701 -2.698 -1.386 343 1HD2 LEU 43 1HD2 LEU 43 -0.050 -0.464 1.790 344 2HD2 LEU 43 2HD2 LEU 43 -0.178 -2.023 2.606 345 3HD2 LEU 43 3HD2 LEU 43 1.334 -1.555 1.828 346 H THR 44 H THR 44 -1.277 0.810 2.515 347 HA THR 44 HA THR 44 -3.008 2.987 1.823 348 HB THR 44 HB THR 44 -0.542 2.634 3.446 349 HG1 THR 44 HG1 THR 44 -2.129 2.792 4.793 350 1HG2 THR 44 1HG2 THR 44 -1.439 5.300 2.311 351 2HG2 THR 44 2HG2 THR 44 -0.358 5.135 3.691 352 3HG2 THR 44 3HG2 THR 44 0.146 4.549 2.102 353 H LEU 45 H LEU 45 -2.937 4.078 -0.074 354 HA LEU 45 HA LEU 45 -0.310 4.259 -1.481 355 1HB LEU 45 1HB LEU 45 -3.134 4.112 -2.490 356 2HB LEU 45 2HB LEU 45 -1.949 5.018 -3.428 357 HG LEU 45 HG LEU 45 -1.328 2.226 -2.510 358 1HD1 LEU 45 1HD1 LEU 45 -2.908 3.102 -4.936 359 2HD1 LEU 45 2HD1 LEU 45 -2.211 1.494 -4.741 360 3HD1 LEU 45 3HD1 LEU 45 -3.469 2.048 -3.637 361 1HD2 LEU 45 1HD2 LEU 45 0.465 3.670 -3.487 362 2HD2 LEU 45 2HD2 LEU 45 0.095 2.279 -4.512 363 3HD2 LEU 45 3HD2 LEU 45 -0.532 3.870 -4.932 364 H PHE 46 H PHE 46 -0.465 5.961 0.555 365 HA PHE 46 HA PHE 46 -1.855 8.402 0.281 366 1HB PHE 46 1HB PHE 46 0.671 7.535 1.571 367 2HB PHE 46 2HB PHE 46 0.559 9.257 1.220 368 HD1 PHE 46 HD1 PHE 46 -2.370 9.704 1.557 369 HD2 PHE 46 HD2 PHE 46 0.406 7.410 3.897 370 HE1 PHE 46 HE1 PHE 46 -3.805 10.007 3.558 371 HE2 PHE 46 HE2 PHE 46 -1.025 7.710 5.895 372 HZ PHE 46 HZ PHE 46 -3.132 9.009 5.727 373 H VAL 47 H VAL 47 0.719 7.033 -1.494 374 HA VAL 47 HA VAL 47 2.152 8.976 -2.716 375 HB VAL 47 HB VAL 47 1.826 7.501 -4.834 376 1HG1 VAL 47 1HG1 VAL 47 2.852 6.556 -2.170 377 2HG1 VAL 47 2HG1 VAL 47 2.984 5.539 -3.611 378 3HG1 VAL 47 3HG1 VAL 47 3.767 7.126 -3.564 379 1HG2 VAL 47 1HG2 VAL 47 -0.398 6.597 -4.099 380 2HG2 VAL 47 2HG2 VAL 47 0.790 5.323 -4.417 381 3HG2 VAL 47 3HG2 VAL 47 0.417 5.795 -2.760 382 H LYS 48 H LYS 48 1.846 10.493 -4.365 383 HA LYS 48 HA LYS 48 -0.991 11.175 -4.942 384 1HB LYS 48 1HB LYS 48 1.595 12.727 -5.217 385 2HB LYS 48 2HB LYS 48 0.046 13.323 -5.814 386 1HG LYS 48 1HG LYS 48 -0.904 13.137 -3.543 387 2HG LYS 48 2HG LYS 48 0.647 12.547 -2.945 388 1HD LYS 48 2HD LYS 48 1.627 14.727 -3.945 389 2HD LYS 48 1HD LYS 48 0.705 14.852 -2.447 390 1HE LYS 48 1HE LYS 48 -0.051 15.688 -5.224 391 2HE LYS 48 2HE LYS 48 -1.328 15.170 -4.122 392 1HZ LYS 48 1HZ LYS 48 0.695 17.253 -3.503 393 2HZ LYS 48 2HZ LYS 48 -0.888 17.572 -4.023 394 3HZ LYS 48 3HZ LYS 48 -0.624 16.802 -2.531 No H/Q in entry = 394 Start of MODEL 4 1 H1 ASP 1 1H ASP 1 -6.933 12.139 3.181 2 H2 ASP 1 2H ASP 1 -7.828 13.020 2.037 3 H3 ASP 1 3H ASP 1 -8.561 12.524 3.483 4 HA ASP 1 HA ASP 1 -8.767 10.355 2.833 5 1HB ASP 1 2HB ASP 1 -10.023 11.997 1.320 6 2HB ASP 1 1HB ASP 1 -9.776 10.375 0.671 7 H SER 2 H SER 2 -7.905 8.492 1.762 8 HA SER 2 HA SER 2 -5.286 8.890 0.391 9 1HB SER 2 1HB SER 2 -4.159 7.405 1.787 10 2HB SER 2 2HB SER 2 -5.218 8.211 2.938 11 HG SER 2 HG SER 2 -6.643 6.478 2.769 12 H ILE 3 H ILE 3 -4.640 6.901 -0.827 13 HA ILE 3 HA ILE 3 -7.004 5.673 -2.039 14 HB ILE 3 HB ILE 3 -4.075 5.612 -2.788 15 1HG1 ILE 3 1HG1 ILE 3 -6.481 6.954 -4.059 16 2HG1 ILE 3 2HG1 ILE 3 -5.183 7.771 -3.185 17 1HG2 ILE 3 1HG2 ILE 3 -5.377 3.520 -3.397 18 2HG2 ILE 3 2HG2 ILE 3 -6.416 4.546 -4.386 19 3HG2 ILE 3 3HG2 ILE 3 -4.699 4.400 -4.770 20 1HD1 ILE 3 1HD1 ILE 3 -4.463 5.976 -5.481 21 2HD1 ILE 3 2HD1 ILE 3 -5.102 7.585 -5.827 22 3HD1 ILE 3 3HD1 ILE 3 -3.628 7.408 -4.874 23 H THR 4 H THR 4 -7.394 3.436 -1.977 24 HA THR 4 HA THR 4 -5.477 1.791 -0.386 25 HB THR 4 HB THR 4 -8.390 1.210 -0.145 26 HG1 THR 4 HG1 THR 4 -8.637 3.242 0.427 27 1HG2 THR 4 1HG2 THR 4 -6.062 0.231 0.971 28 2HG2 THR 4 2HG2 THR 4 -6.675 1.300 2.234 29 3HG2 THR 4 3HG2 THR 4 -7.682 -0.015 1.623 30 H TYR 5 H TYR 5 -4.763 0.257 -1.820 31 HA TYR 5 HA TYR 5 -6.786 -0.771 -3.764 32 1HB TYR 5 1HB TYR 5 -5.238 -0.762 -5.437 33 2HB TYR 5 2HB TYR 5 -4.571 0.534 -4.458 34 HD1 TYR 5 HD1 TYR 5 -4.295 -3.178 -5.030 35 HD2 TYR 5 HD2 TYR 5 -2.391 0.410 -3.636 36 HE1 TYR 5 HE1 TYR 5 -2.144 -4.357 -4.936 37 HE2 TYR 5 HE2 TYR 5 -0.232 -0.794 -3.515 38 HH TYR 5 HH TYR 5 0.012 -4.200 -4.533 39 H ARG 6 H ARG 6 -7.182 -2.910 -3.824 40 HA ARG 6 HA ARG 6 -5.883 -4.565 -1.776 41 1HB ARG 6 1HB ARG 6 -8.423 -4.555 -3.088 42 2HB ARG 6 2HB ARG 6 -7.643 -6.100 -3.428 43 1HG ARG 6 1HG ARG 6 -7.371 -6.589 -1.108 44 2HG ARG 6 2HG ARG 6 -7.773 -4.935 -0.641 45 1HD ARG 6 1HD ARG 6 -10.058 -5.346 -1.724 46 2HD ARG 6 2HD ARG 6 -9.620 -7.053 -1.755 47 HE ARG 6 HE ARG 6 -9.164 -6.367 0.866 48 1HH1 ARG 6 1HH1 ARG 6 -11.116 -4.185 0.723 49 2HH1 ARG 6 2HH1 ARG 6 -12.624 -4.976 1.040 50 1HH2 ARG 6 1HH2 ARG 6 -11.399 -8.154 0.389 51 2HH2 ARG 6 2HH2 ARG 6 -12.785 -7.224 0.850 52 H VAL 7 H VAL 7 -4.130 -5.636 -2.194 53 HA VAL 7 HA VAL 7 -3.089 -5.973 -4.882 54 HB VAL 7 HB VAL 7 -2.102 -7.315 -2.363 55 1HG1 VAL 7 1HG1 VAL 7 -1.121 -6.913 -5.065 56 2HG1 VAL 7 2HG1 VAL 7 -0.016 -6.189 -3.884 57 3HG1 VAL 7 3HG1 VAL 7 -0.447 -7.902 -3.765 58 1HG2 VAL 7 1HG2 VAL 7 -2.515 -4.504 -2.832 59 2HG2 VAL 7 2HG2 VAL 7 -1.790 -5.294 -1.420 60 3HG2 VAL 7 3HG2 VAL 7 -0.767 -4.840 -2.792 61 H ARG 8 H ARG 8 -3.997 -7.524 -6.172 62 HA ARG 8 HA ARG 8 -5.012 -10.013 -4.899 63 1HB ARG 8 1HB ARG 8 -5.724 -8.441 -7.251 64 2HB ARG 8 2HB ARG 8 -5.531 -10.152 -7.636 65 1HG ARG 8 1HG ARG 8 -6.913 -10.220 -5.242 66 2HG ARG 8 2HG ARG 8 -7.614 -8.821 -6.059 67 1HD ARG 8 1HD ARG 8 -7.544 -10.549 -8.130 68 2HD ARG 8 2HD ARG 8 -7.717 -11.697 -6.803 69 HE ARG 8 HE ARG 8 -9.812 -10.050 -7.806 70 1HH1 ARG 8 1HH1 ARG 8 -9.243 -12.261 -5.455 71 2HH1 ARG 8 2HH1 ARG 8 -10.280 -11.568 -4.252 72 1HH2 ARG 8 1HH2 ARG 8 -10.774 -8.613 -5.999 73 2HH2 ARG 8 2HH2 ARG 8 -11.146 -9.503 -4.561 74 H LYS 9 H LYS 9 -4.421 -12.107 -5.936 75 HA LYS 9 HA LYS 9 -1.630 -12.434 -6.211 76 1HB LYS 9 1HB LYS 9 -2.179 -14.628 -7.301 77 2HB LYS 9 2HB LYS 9 -3.016 -14.366 -5.771 78 1HG LYS 9 1HG LYS 9 -4.775 -13.253 -7.569 79 2HG LYS 9 2HG LYS 9 -4.114 -14.601 -8.493 80 1HD LYS 9 1HD LYS 9 -5.449 -16.000 -7.346 81 2HD LYS 9 2HD LYS 9 -4.583 -15.571 -5.871 82 1HE LYS 9 1HE LYS 9 -6.106 -13.792 -5.383 83 2HE LYS 9 2HE LYS 9 -6.831 -13.881 -6.988 84 1HZ LYS 9 1HZ LYS 9 -6.947 -16.402 -5.702 85 2HZ LYS 9 2HZ LYS 9 -7.649 -15.211 -4.712 86 3HZ LYS 9 3HZ LYS 9 -8.218 -15.440 -6.293 87 H GLY 10 H GLY 10 -0.243 -12.318 -7.941 88 1HA GLY 10 1HA GLY 10 0.393 -12.126 -10.236 89 2HA GLY 10 2HA GLY 10 -1.311 -12.002 -10.672 90 H ASP 11 H ASP 11 -1.147 -9.909 -8.188 91 HA ASP 11 HA ASP 11 -0.925 -7.597 -9.980 92 1HB ASP 11 1HB ASP 11 -1.642 -7.922 -7.064 93 2HB ASP 11 2HB ASP 11 -1.441 -6.339 -7.809 94 H SER 12 H SER 12 0.626 -5.920 -9.719 95 HA SER 12 HA SER 12 3.002 -6.706 -8.078 96 1HB SER 12 1HB SER 12 2.762 -5.949 -10.893 97 2HB SER 12 2HB SER 12 3.919 -4.943 -10.028 98 HG SER 12 HG SER 12 3.874 -7.761 -9.787 99 H LEU 13 H LEU 13 3.716 -5.174 -6.664 100 HA LEU 13 HA LEU 13 2.158 -2.982 -5.811 101 1HB LEU 13 1HB LEU 13 5.075 -3.677 -5.589 102 2HB LEU 13 2HB LEU 13 4.480 -2.146 -4.955 103 HG LEU 13 HG LEU 13 4.523 -4.073 -3.287 104 1HD1 LEU 13 1HD1 LEU 13 2.354 -2.207 -3.900 105 2HD1 LEU 13 2HD1 LEU 13 1.825 -3.602 -2.956 106 3HD1 LEU 13 3HD1 LEU 13 3.127 -2.566 -2.356 107 1HD2 LEU 13 1HD2 LEU 13 2.168 -4.994 -4.970 108 2HD2 LEU 13 2HD2 LEU 13 3.707 -5.843 -4.816 109 3HD2 LEU 13 3HD2 LEU 13 2.645 -5.672 -3.417 110 H SER 14 H SER 14 5.101 -2.760 -7.847 111 HA SER 14 HA SER 14 4.769 -0.005 -8.429 112 1HB SER 14 1HB SER 14 6.023 -0.930 -10.665 113 2HB SER 14 2HB SER 14 6.846 -0.624 -9.138 114 HG SER 14 HG SER 14 7.311 -2.710 -9.782 115 H SER 15 H SER 15 3.623 -2.906 -10.174 116 HA SER 15 HA SER 15 2.475 -1.618 -12.417 117 1HB SER 15 1HB SER 15 1.941 -4.192 -10.995 118 2HB SER 15 2HB SER 15 0.805 -3.654 -12.226 119 HG SER 15 HG SER 15 2.220 -4.570 -13.504 120 H ILE 16 H ILE 16 1.047 -2.399 -9.300 121 HA ILE 16 HA ILE 16 -1.559 -1.381 -9.787 122 HB ILE 16 HB ILE 16 0.091 -1.672 -7.273 123 1HG1 ILE 16 1HG1 ILE 16 -2.436 -3.022 -7.270 124 2HG1 ILE 16 2HG1 ILE 16 -1.646 -3.349 -8.813 125 1HG2 ILE 16 1HG2 ILE 16 -2.290 -0.040 -7.729 126 2HG2 ILE 16 2HG2 ILE 16 -2.541 -1.264 -6.489 127 3HG2 ILE 16 3HG2 ILE 16 -1.229 -0.099 -6.322 128 1HD1 ILE 16 1HD1 ILE 16 0.278 -3.504 -6.664 129 2HD1 ILE 16 2HD1 ILE 16 -1.094 -4.557 -6.320 130 3HD1 ILE 16 3HD1 ILE 16 -0.190 -4.748 -7.822 131 H ALA 17 H ALA 17 1.384 0.212 -8.524 132 HA ALA 17 HA ALA 17 0.341 2.797 -8.073 133 1HB ALA 17 2HB ALA 17 2.786 3.247 -9.340 134 2HB ALA 17 1HB ALA 17 2.959 1.649 -8.621 135 3HB ALA 17 3HB ALA 17 2.532 3.031 -7.610 136 H LYS 18 H LYS 18 1.634 1.389 -11.105 137 HA LYS 18 HA LYS 18 1.354 3.587 -12.815 138 1HB LYS 18 1HB LYS 18 1.627 0.737 -13.107 139 2HB LYS 18 2HB LYS 18 0.458 1.337 -14.285 140 1HG LYS 18 1HG LYS 18 2.069 3.044 -15.028 141 2HG LYS 18 2HG LYS 18 3.238 2.464 -13.841 142 1HD LYS 18 2HD LYS 18 2.432 0.172 -15.248 143 2HD LYS 18 1HD LYS 18 3.974 1.013 -15.398 144 1HE LYS 18 1HE LYS 18 1.463 1.448 -17.033 145 2HE LYS 18 2HE LYS 18 2.828 2.563 -17.058 146 1HZ LYS 18 1HZ LYS 18 3.781 -0.061 -17.364 147 2HZ LYS 18 2HZ LYS 18 2.529 0.190 -18.485 148 3HZ LYS 18 3HZ LYS 18 3.872 1.230 -18.460 149 H ARG 19 H ARG 19 -1.169 1.355 -11.693 150 HA ARG 19 HA ARG 19 -3.283 2.173 -13.388 151 1HB ARG 19 1HB ARG 19 -3.318 0.274 -11.712 152 2HB ARG 19 2HB ARG 19 -3.551 1.485 -10.451 153 1HG ARG 19 1HG ARG 19 -5.748 1.592 -10.910 154 2HG ARG 19 2HG ARG 19 -5.401 1.991 -12.593 155 1HD ARG 19 1HD ARG 19 -5.021 -0.473 -13.006 156 2HD ARG 19 2HD ARG 19 -5.629 -0.773 -11.378 157 HE ARG 19 HE ARG 19 -7.716 0.558 -12.296 158 1HH1 ARG 19 1HH1 ARG 19 -8.030 0.828 -14.841 159 2HH1 ARG 19 2HH1 ARG 19 -8.198 -0.714 -15.610 160 1HH2 ARG 19 1HH2 ARG 19 -6.902 -2.488 -12.925 161 2HH2 ARG 19 2HH2 ARG 19 -7.558 -2.593 -14.524 162 H HIS 20 H HIS 20 -1.905 3.721 -10.533 163 HA HIS 20 HA HIS 20 -3.853 5.962 -10.895 164 1HB HIS 20 2HB HIS 20 -4.074 6.089 -8.650 165 2HB HIS 20 1HB HIS 20 -2.339 6.038 -8.410 166 HD1 HIS 20 HD1 HIS 20 -5.385 3.900 -8.375 167 HD2 HIS 20 HD2 HIS 20 -1.268 3.374 -8.071 168 HE1 HIS 20 HE1 HIS 20 -5.000 1.560 -7.481 169 H GLY 21 H GLY 21 -0.921 5.260 -11.979 170 1HA GLY 21 1HA GLY 21 1.046 6.486 -12.413 171 2HA GLY 21 2HA GLY 21 -0.022 7.896 -12.399 172 H VAL 22 H VAL 22 1.041 5.596 -9.891 173 HA VAL 22 HA VAL 22 1.782 7.953 -8.213 174 HB VAL 22 HB VAL 22 1.339 6.080 -6.372 175 1HG1 VAL 22 1HG1 VAL 22 -0.488 7.981 -7.785 176 2HG1 VAL 22 2HG1 VAL 22 -1.175 6.905 -6.565 177 3HG1 VAL 22 3HG1 VAL 22 0.115 8.028 -6.128 178 1HG2 VAL 22 1HG2 VAL 22 0.763 4.499 -8.341 179 2HG2 VAL 22 2HG2 VAL 22 -0.300 4.509 -6.937 180 3HG2 VAL 22 3HG2 VAL 22 -0.763 5.381 -8.400 181 H ASN 23 H ASN 23 3.338 7.253 -6.366 182 HA ASN 23 HA ASN 23 5.522 5.647 -7.611 183 1HB ASN 23 1HB ASN 23 5.446 8.149 -6.150 184 2HB ASN 23 2HB ASN 23 6.541 7.003 -5.377 185 2HD2 ASN 23 2HD2 ASN 23 6.846 9.484 -7.347 186 1HD2 ASN 23 1HD2 ASN 23 7.990 8.913 -8.464 187 H ILE 24 H ILE 24 4.984 3.582 -6.904 188 HA ILE 24 HA ILE 24 3.991 2.828 -4.399 189 HB ILE 24 HB ILE 24 5.985 1.296 -6.092 190 1HG1 ILE 24 1HG1 ILE 24 3.995 2.076 -7.311 191 2HG1 ILE 24 2HG1 ILE 24 3.976 0.333 -7.094 192 1HG2 ILE 24 1HG2 ILE 24 4.287 0.663 -3.732 193 2HG2 ILE 24 2HG2 ILE 24 4.339 -0.534 -5.038 194 3HG2 ILE 24 3HG2 ILE 24 5.830 -0.041 -4.226 195 1HD1 ILE 24 1HD1 ILE 24 2.522 2.284 -5.260 196 2HD1 ILE 24 2HD1 ILE 24 1.759 1.400 -6.590 197 3HD1 ILE 24 3HD1 ILE 24 2.430 0.504 -5.226 198 H LYS 25 H LYS 25 7.225 3.885 -5.257 199 HA LYS 25 HA LYS 25 8.595 2.905 -2.942 200 1HB LYS 25 1HB LYS 25 9.958 5.128 -3.296 201 2HB LYS 25 2HB LYS 25 10.080 3.830 -4.481 202 1HG LYS 25 1HG LYS 25 9.041 5.046 -6.098 203 2HG LYS 25 2HG LYS 25 7.859 5.708 -4.971 204 1HD LYS 25 1HD LYS 25 9.356 7.468 -5.879 205 2HD LYS 25 2HD LYS 25 9.513 7.307 -4.129 206 1HE LYS 25 1HE LYS 25 11.514 5.898 -4.431 207 2HE LYS 25 2HE LYS 25 11.357 6.046 -6.182 208 1HZ LYS 25 1HZ LYS 25 11.346 8.557 -4.760 209 2HZ LYS 25 2HZ LYS 25 12.803 7.697 -4.633 210 3HZ LYS 25 3HZ LYS 25 12.189 8.106 -6.164 211 H ASP 26 H ASP 26 6.668 5.847 -3.550 212 HA ASP 26 HA ASP 26 7.016 7.003 -0.956 213 1HB ASP 26 2HB ASP 26 5.016 8.290 -1.398 214 2HB ASP 26 1HB ASP 26 4.506 7.156 -2.641 215 H VAL 27 H VAL 27 4.800 4.640 -2.323 216 HA VAL 27 HA VAL 27 3.147 4.266 -0.020 217 HB VAL 27 HB VAL 27 4.085 2.084 -1.900 218 1HG1 VAL 27 1HG1 VAL 27 2.225 2.248 0.327 219 2HG1 VAL 27 2HG1 VAL 27 1.408 1.750 -1.157 220 3HG1 VAL 27 3HG1 VAL 27 2.785 0.825 -0.555 221 1HG2 VAL 27 1HG2 VAL 27 3.143 4.206 -2.964 222 2HG2 VAL 27 2HG2 VAL 27 2.299 2.708 -3.362 223 3HG2 VAL 27 3HG2 VAL 27 1.623 3.816 -2.165 224 H MET 28 H MET 28 6.268 2.781 -0.924 225 HA MET 28 HA MET 28 6.464 1.245 1.543 226 1HB MET 28 2HB MET 28 8.629 0.637 0.803 227 2HB MET 28 1HB MET 28 8.816 2.114 -0.142 228 1HG MET 28 1HG MET 28 6.553 0.305 -0.860 229 2HG MET 28 2HG MET 28 7.566 1.305 -1.900 230 1HE MET 28 1HE MET 28 6.486 -1.928 -1.272 231 2HE MET 28 2HE MET 28 6.868 -1.509 -2.939 232 3HE MET 28 3HE MET 28 7.661 -2.888 -2.165 233 H ARG 29 H ARG 29 6.862 4.530 0.698 234 HA ARG 29 HA ARG 29 8.876 5.220 2.675 235 1HB ARG 29 1HB ARG 29 8.247 6.589 0.616 236 2HB ARG 29 2HB ARG 29 6.789 7.064 1.489 237 1HG ARG 29 1HG ARG 29 8.406 7.743 3.399 238 2HG ARG 29 2HG ARG 29 9.661 7.680 2.159 239 1HD ARG 29 1HD ARG 29 8.016 9.155 0.768 240 2HD ARG 29 2HD ARG 29 7.266 9.495 2.327 241 HE ARG 29 HE ARG 29 10.190 9.913 2.127 242 1HH1 ARG 29 1HH1 ARG 29 8.433 11.041 4.304 243 2HH1 ARG 29 2HH1 ARG 29 8.274 12.693 3.807 244 1HH2 ARG 29 1HH2 ARG 29 9.361 12.098 0.567 245 2HH2 ARG 29 2HH2 ARG 29 8.799 13.292 1.689 246 H TRP 30 H TRP 30 5.286 5.369 2.588 247 HA TRP 30 HA TRP 30 5.239 6.318 5.380 248 1HB TRP 30 2HB TRP 30 2.861 6.377 5.182 249 2HB TRP 30 1HB TRP 30 2.878 5.269 3.809 250 HD1 TRP 30 HD1 TRP 30 4.302 8.769 4.678 251 HE1 TRP 30 HE1 TRP 30 4.217 10.203 2.535 252 HE3 TRP 30 HE3 TRP 30 2.452 5.331 1.421 253 HZ2 TRP 30 HZ2 TRP 30 3.457 9.913 -0.214 254 HZ3 TRP 30 HZ3 TRP 30 2.051 5.918 -0.942 255 HH2 TRP 30 HH2 TRP 30 2.553 8.203 -1.773 256 H ASN 31 H ASN 31 4.793 3.261 3.648 257 HA ASN 31 HA ASN 31 4.083 1.918 6.190 258 1HB ASN 31 1HB ASN 31 4.429 0.814 3.386 259 2HB ASN 31 2HB ASN 31 3.876 -0.107 4.787 260 2HD2 ASN 31 2HD2 ASN 31 2.971 2.551 2.579 261 1HD2 ASN 31 1HD2 ASN 31 1.321 2.537 2.977 262 H SER 32 H SER 32 5.513 0.664 7.329 263 HA SER 32 HA SER 32 8.329 0.719 6.411 264 1HB SER 32 1HB SER 32 8.954 0.636 8.624 265 2HB SER 32 2HB SER 32 7.341 1.309 8.842 266 HG SER 32 HG SER 32 8.322 -1.039 9.671 267 H ASP 33 H ASP 33 5.799 -1.492 7.346 268 HA ASP 33 HA ASP 33 7.439 -3.725 6.227 269 1HB ASP 33 1HB ASP 33 5.370 -3.834 8.447 270 2HB ASP 33 2HB ASP 33 6.207 -5.231 7.768 271 H THR 34 H THR 34 6.582 -3.813 4.170 272 HA THR 34 HA THR 34 3.683 -3.523 3.785 273 HB THR 34 HB THR 34 4.247 -3.805 1.380 274 HG1 THR 34 HG1 THR 34 6.016 -4.869 1.048 275 1HG2 THR 34 1HG2 THR 34 5.787 -1.815 3.049 276 2HG2 THR 34 2HG2 THR 34 5.801 -1.764 1.285 277 3HG2 THR 34 3HG2 THR 34 4.282 -1.565 2.161 278 H ALA 35 H ALA 35 4.640 -5.836 5.347 279 HA ALA 35 HA ALA 35 4.512 -8.205 3.722 280 1HB ALA 35 1HB ALA 35 5.475 -8.197 6.006 281 2HB ALA 35 3HB ALA 35 4.183 -9.387 5.855 282 3HB ALA 35 2HB ALA 35 3.877 -7.851 6.666 283 H ASN 36 H ASN 36 2.165 -5.913 4.508 284 HA ASN 36 HA ASN 36 -0.086 -7.774 4.648 285 1HB ASN 36 2HB ASN 36 -1.463 -5.763 4.714 286 2HB ASN 36 1HB ASN 36 -0.084 -4.769 4.243 287 2HD2 ASN 36 2HD2 ASN 36 1.444 -4.195 5.886 288 1HD2 ASN 36 1HD2 ASN 36 1.250 -4.626 7.517 289 H LEU 37 H LEU 37 1.913 -6.923 2.149 290 HA LEU 37 HA LEU 37 -0.165 -6.415 0.139 291 1HB LEU 37 1HB LEU 37 2.820 -6.886 -0.004 292 2HB LEU 37 2HB LEU 37 1.817 -6.803 -1.454 293 HG LEU 37 HG LEU 37 1.295 -4.555 -1.137 294 1HD1 LEU 37 1HD1 LEU 37 2.027 -4.992 1.766 295 2HD1 LEU 37 2HD1 LEU 37 1.740 -3.397 1.079 296 3HD1 LEU 37 3HD1 LEU 37 0.443 -4.590 1.106 297 1HD2 LEU 37 1HD2 LEU 37 4.058 -5.003 0.015 298 2HD2 LEU 37 2HD2 LEU 37 3.643 -4.688 -1.668 299 3HD2 LEU 37 3HD2 LEU 37 3.444 -3.418 -0.458 300 H GLN 38 H GLN 38 -1.292 -8.439 0.934 301 HA GLN 38 HA GLN 38 -0.188 -10.903 -0.316 302 1HB GLN 38 1HB GLN 38 -2.573 -11.066 1.445 303 2HB GLN 38 2HB GLN 38 -1.161 -12.121 1.370 304 1HG GLN 38 1HG GLN 38 0.170 -10.299 2.487 305 2HG GLN 38 2HG GLN 38 -1.336 -9.406 2.705 306 2HE2 GLN 38 2HE2 GLN 38 -3.137 -11.388 3.457 307 1HE2 GLN 38 1HE2 GLN 38 -2.627 -12.128 4.895 308 HA PRO 39 HA PRO 39 -3.362 -10.759 -3.245 309 1HB PRO 39 1HB PRO 39 -4.239 -13.380 -3.353 310 2HB PRO 39 2HB PRO 39 -2.733 -12.806 -4.087 311 1HG PRO 39 2HG PRO 39 -1.753 -14.365 -2.676 312 2HG PRO 39 1HG PRO 39 -3.122 -14.348 -1.552 313 1HD PRO 39 1HD PRO 39 -1.779 -13.007 -0.233 314 2HD PRO 39 2HD PRO 39 -0.683 -12.638 -1.585 315 H GLY 40 H GLY 40 -4.726 -9.433 -1.951 316 1HA GLY 40 1HA GLY 40 -7.287 -9.559 -1.710 317 2HA GLY 40 2HA GLY 40 -6.952 -10.842 -0.550 318 H ASP 41 H ASP 41 -4.551 -8.353 -0.469 319 HA ASP 41 HA ASP 41 -5.924 -7.234 1.956 320 1HB ASP 41 1HB ASP 41 -3.077 -7.898 1.335 321 2HB ASP 41 2HB ASP 41 -3.402 -6.541 2.415 322 H LYS 42 H LYS 42 -5.869 -4.945 2.244 323 HA LYS 42 HA LYS 42 -5.655 -3.454 -0.270 324 1HB LYS 42 2HB LYS 42 -7.513 -3.077 1.365 325 2HB LYS 42 1HB LYS 42 -6.630 -1.609 0.954 326 1HG LYS 42 1HG LYS 42 -5.201 -2.557 3.111 327 2HG LYS 42 2HG LYS 42 -6.458 -1.322 3.199 328 1HD LYS 42 1HD LYS 42 -7.405 -4.135 3.196 329 2HD LYS 42 2HD LYS 42 -6.537 -3.616 4.640 330 1HE LYS 42 1HE LYS 42 -8.789 -1.995 3.443 331 2HE LYS 42 2HE LYS 42 -9.068 -3.245 4.655 332 1HZ LYS 42 1HZ LYS 42 -6.940 -1.586 5.471 333 2HZ LYS 42 2HZ LYS 42 -8.281 -0.618 5.079 334 3HZ LYS 42 3HZ LYS 42 -8.430 -1.854 6.235 335 H LEU 43 H LEU 43 -4.396 -1.457 -0.427 336 HA LEU 43 HA LEU 43 -2.002 -1.368 1.344 337 1HB LEU 43 1HB LEU 43 -2.109 -2.203 -1.384 338 2HB LEU 43 2HB LEU 43 -1.282 -0.649 -1.328 339 HG LEU 43 HG LEU 43 -0.496 -3.268 -0.105 340 1HD1 LEU 43 1HD1 LEU 43 0.882 -0.982 -1.518 341 2HD1 LEU 43 2HD1 LEU 43 1.742 -2.369 -0.850 342 3HD1 LEU 43 3HD1 LEU 43 0.567 -2.597 -2.144 343 1HD2 LEU 43 1HD2 LEU 43 -0.122 -0.564 1.135 344 2HD2 LEU 43 2HD2 LEU 43 -0.311 -2.136 1.916 345 3HD2 LEU 43 3HD2 LEU 43 1.233 -1.694 1.181 346 H THR 44 H THR 44 -1.390 0.720 1.859 347 HA THR 44 HA THR 44 -3.138 2.890 1.179 348 HB THR 44 HB THR 44 -0.661 2.555 2.796 349 HG1 THR 44 HG1 THR 44 -3.280 3.484 3.070 350 1HG2 THR 44 1HG2 THR 44 -1.626 5.212 1.696 351 2HG2 THR 44 2HG2 THR 44 -0.543 5.060 3.080 352 3HG2 THR 44 3HG2 THR 44 -0.020 4.504 1.486 353 H LEU 45 H LEU 45 -3.073 3.982 -0.721 354 HA LEU 45 HA LEU 45 -0.447 4.168 -2.127 355 1HB LEU 45 1HB LEU 45 -3.278 4.072 -3.123 356 2HB LEU 45 2HB LEU 45 -2.077 4.957 -4.064 357 HG LEU 45 HG LEU 45 -1.505 2.153 -3.148 358 1HD1 LEU 45 1HD1 LEU 45 -3.061 3.053 -5.582 359 2HD1 LEU 45 2HD1 LEU 45 -2.415 1.426 -5.362 360 3HD1 LEU 45 3HD1 LEU 45 -3.662 2.034 -4.273 361 1HD2 LEU 45 1HD2 LEU 45 -0.607 3.983 -5.381 362 2HD2 LEU 45 2HD2 LEU 45 0.387 3.292 -4.094 363 3HD2 LEU 45 3HD2 LEU 45 -0.252 2.260 -5.380 364 H PHE 46 H PHE 46 -0.558 5.861 -0.085 365 HA PHE 46 HA PHE 46 -1.915 8.330 -0.355 366 1HB PHE 46 1HB PHE 46 0.568 7.398 0.967 367 2HB PHE 46 2HB PHE 46 0.523 9.121 0.603 368 HD1 PHE 46 HD1 PHE 46 -2.393 9.677 0.902 369 HD2 PHE 46 HD2 PHE 46 0.272 7.299 3.289 370 HE1 PHE 46 HE1 PHE 46 -3.840 10.043 2.882 371 HE2 PHE 46 HE2 PHE 46 -1.173 7.665 5.269 372 HZ PHE 46 HZ PHE 46 -3.229 9.036 5.065 373 H VAL 47 H VAL 47 0.637 6.910 -2.119 374 HA VAL 47 HA VAL 47 2.155 8.794 -3.304 375 HB VAL 47 HB VAL 47 1.740 7.378 -5.464 376 1HG1 VAL 47 1HG1 VAL 47 2.787 6.374 -2.828 377 2HG1 VAL 47 2HG1 VAL 47 2.875 5.374 -4.286 378 3HG1 VAL 47 3HG1 VAL 47 3.695 6.944 -4.229 379 1HG2 VAL 47 1HG2 VAL 47 -0.473 6.494 -4.764 380 2HG2 VAL 47 2HG2 VAL 47 0.698 5.188 -4.997 381 3HG2 VAL 47 3HG2 VAL 47 0.289 5.728 -3.370 382 H LYS 48 H LYS 48 1.952 10.391 -4.866 383 HA LYS 48 HA LYS 48 -0.618 11.651 -5.173 384 1HB LYS 48 1HB LYS 48 1.990 12.451 -5.496 385 2HB LYS 48 2HB LYS 48 1.443 12.338 -7.169 386 1HG LYS 48 1HG LYS 48 0.417 14.322 -6.912 387 2HG LYS 48 2HG LYS 48 -0.664 13.564 -5.742 388 1HD LYS 48 1HD LYS 48 1.619 13.947 -4.252 389 2HD LYS 48 2HD LYS 48 1.612 15.372 -5.291 390 1HE LYS 48 2HE LYS 48 -0.876 15.602 -4.642 391 2HE LYS 48 1HE LYS 48 0.322 16.022 -3.417 392 1HZ LYS 48 1HZ LYS 48 -0.636 13.253 -3.559 393 2HZ LYS 48 2HZ LYS 48 -0.105 14.147 -2.216 394 3HZ LYS 48 3HZ LYS 48 -1.650 14.424 -2.865 No H/Q in entry = 394 Start of MODEL 5 1 H1 ASP 1 1H ASP 1 -5.976 12.786 -0.076 2 H2 ASP 1 2H ASP 1 -7.460 13.612 -0.036 3 H3 ASP 1 3H ASP 1 -6.587 13.354 1.399 4 HA ASP 1 HA ASP 1 -8.091 11.686 1.616 5 1HB ASP 1 2HB ASP 1 -9.186 12.303 -0.565 6 2HB ASP 1 1HB ASP 1 -9.153 10.568 -0.258 7 H SER 2 H SER 2 -7.859 9.269 1.516 8 HA SER 2 HA SER 2 -5.020 8.531 0.927 9 1HB SER 2 1HB SER 2 -5.244 6.843 2.702 10 2HB SER 2 2HB SER 2 -5.608 8.448 3.329 11 HG SER 2 HG SER 2 -7.294 6.276 2.821 12 H ILE 3 H ILE 3 -4.709 6.884 -0.510 13 HA ILE 3 HA ILE 3 -7.079 5.639 -1.694 14 HB ILE 3 HB ILE 3 -4.161 5.594 -2.483 15 1HG1 ILE 3 1HG1 ILE 3 -6.580 6.981 -3.678 16 2HG1 ILE 3 2HG1 ILE 3 -5.249 7.766 -2.825 17 1HG2 ILE 3 1HG2 ILE 3 -5.485 3.524 -3.116 18 2HG2 ILE 3 2HG2 ILE 3 -6.526 4.577 -4.074 19 3HG2 ILE 3 3HG2 ILE 3 -4.814 4.426 -4.479 20 1HD1 ILE 3 1HD1 ILE 3 -4.497 6.000 -5.101 21 2HD1 ILE 3 2HD1 ILE 3 -5.305 7.513 -5.514 22 3HD1 ILE 3 3HD1 ILE 3 -3.803 7.540 -4.591 23 H THR 4 H THR 4 -7.474 3.405 -1.603 24 HA THR 4 HA THR 4 -5.505 1.758 -0.078 25 HB THR 4 HB THR 4 -8.473 1.370 0.251 26 HG1 THR 4 HG1 THR 4 -7.809 2.546 2.355 27 1HG2 THR 4 1HG2 THR 4 -6.364 -0.167 0.984 28 2HG2 THR 4 2HG2 THR 4 -6.503 0.863 2.408 29 3HG2 THR 4 3HG2 THR 4 -7.877 -0.112 1.888 30 H TYR 5 H TYR 5 -4.853 0.189 -1.494 31 HA TYR 5 HA TYR 5 -6.918 -0.840 -3.390 32 1HB TYR 5 1HB TYR 5 -5.398 -0.853 -5.097 33 2HB TYR 5 2HB TYR 5 -4.742 0.474 -4.151 34 HD1 TYR 5 HD1 TYR 5 -4.391 -3.245 -4.664 35 HD2 TYR 5 HD2 TYR 5 -2.551 0.413 -3.360 36 HE1 TYR 5 HE1 TYR 5 -2.211 -4.369 -4.582 37 HE2 TYR 5 HE2 TYR 5 -0.360 -0.733 -3.272 38 HH TYR 5 HH TYR 5 -0.046 -4.140 -4.256 39 H ARG 6 H ARG 6 -7.207 -3.018 -3.558 40 HA ARG 6 HA ARG 6 -5.904 -4.641 -1.476 41 1HB ARG 6 1HB ARG 6 -8.248 -5.053 -3.323 42 2HB ARG 6 2HB ARG 6 -7.518 -6.425 -2.489 43 1HG ARG 6 1HG ARG 6 -8.237 -5.733 -0.422 44 2HG ARG 6 2HG ARG 6 -8.109 -4.022 -0.838 45 1HD ARG 6 1HD ARG 6 -10.093 -4.964 -2.546 46 2HD ARG 6 2HD ARG 6 -10.414 -5.805 -1.031 47 HE ARG 6 HE ARG 6 -10.583 -2.894 -1.463 48 1HH1 ARG 6 1HH1 ARG 6 -9.128 -3.284 1.091 49 2HH1 ARG 6 2HH1 ARG 6 -10.412 -3.431 2.243 50 1HH2 ARG 6 1HH2 ARG 6 -12.838 -4.071 -0.152 51 2HH2 ARG 6 2HH2 ARG 6 -12.515 -3.877 1.539 52 H VAL 7 H VAL 7 -4.162 -5.749 -1.886 53 HA VAL 7 HA VAL 7 -3.111 -6.039 -4.584 54 HB VAL 7 HB VAL 7 -2.112 -7.384 -2.070 55 1HG1 VAL 7 1HG1 VAL 7 -1.146 -7.006 -4.776 56 2HG1 VAL 7 2HG1 VAL 7 -0.038 -6.256 -3.615 57 3HG1 VAL 7 3HG1 VAL 7 -0.454 -7.970 -3.469 58 1HG2 VAL 7 1HG2 VAL 7 -2.547 -4.583 -2.518 59 2HG2 VAL 7 2HG2 VAL 7 -1.751 -5.365 -1.139 60 3HG2 VAL 7 3HG2 VAL 7 -0.793 -4.895 -2.549 61 H ARG 8 H ARG 8 -4.023 -7.575 -5.879 62 HA ARG 8 HA ARG 8 -5.003 -10.092 -4.631 63 1HB ARG 8 1HB ARG 8 -5.429 -8.823 -7.344 64 2HB ARG 8 2HB ARG 8 -5.946 -10.471 -6.977 65 1HG ARG 8 1HG ARG 8 -7.168 -9.493 -4.959 66 2HG ARG 8 2HG ARG 8 -6.865 -7.906 -5.668 67 1HD ARG 8 1HD ARG 8 -8.498 -8.179 -7.201 68 2HD ARG 8 2HD ARG 8 -7.923 -9.792 -7.627 69 HE ARG 8 HE ARG 8 -9.338 -10.709 -5.875 70 1HH1 ARG 8 1HH1 ARG 8 -9.105 -7.855 -4.465 71 2HH1 ARG 8 2HH1 ARG 8 -10.788 -7.442 -4.437 72 1HH2 ARG 8 1HH2 ARG 8 -11.713 -9.949 -6.650 73 2HH2 ARG 8 2HH2 ARG 8 -12.263 -8.628 -5.674 74 H LYS 9 H LYS 9 -4.423 -12.163 -5.726 75 HA LYS 9 HA LYS 9 -1.635 -12.495 -6.008 76 1HB LYS 9 1HB LYS 9 -2.193 -14.656 -7.155 77 2HB LYS 9 2HB LYS 9 -3.049 -14.427 -5.630 78 1HG LYS 9 2HG LYS 9 -4.782 -13.257 -7.408 79 2HG LYS 9 1HG LYS 9 -4.906 -14.924 -6.848 80 1HD LYS 9 1HD LYS 9 -3.971 -13.862 -9.469 81 2HD LYS 9 2HD LYS 9 -3.121 -15.272 -8.836 82 1HE LYS 9 1HE LYS 9 -5.012 -16.620 -8.920 83 2HE LYS 9 2HE LYS 9 -6.117 -15.252 -8.788 84 1HZ LYS 9 1HZ LYS 9 -4.408 -15.331 -11.143 85 2HZ LYS 9 2HZ LYS 9 -5.640 -16.493 -11.068 86 3HZ LYS 9 3HZ LYS 9 -6.027 -14.840 -10.989 87 H GLY 10 H GLY 10 -0.243 -12.365 -7.746 88 1HA GLY 10 1HA GLY 10 0.406 -12.091 -10.023 89 2HA GLY 10 2HA GLY 10 -1.297 -11.973 -10.467 90 H ASP 11 H ASP 11 -1.202 -9.922 -7.955 91 HA ASP 11 HA ASP 11 -0.984 -7.579 -9.698 92 1HB ASP 11 1HB ASP 11 -1.691 -7.962 -6.788 93 2HB ASP 11 2HB ASP 11 -1.492 -6.363 -7.497 94 H SER 12 H SER 12 0.508 -5.848 -9.337 95 HA SER 12 HA SER 12 2.915 -6.640 -7.743 96 1HB SER 12 1HB SER 12 2.695 -6.047 -10.549 97 2HB SER 12 2HB SER 12 3.668 -4.799 -9.774 98 HG SER 12 HG SER 12 4.946 -6.458 -8.883 99 H LEU 13 H LEU 13 3.642 -5.091 -6.344 100 HA LEU 13 HA LEU 13 2.056 -2.925 -5.467 101 1HB LEU 13 1HB LEU 13 4.997 -3.552 -5.293 102 2HB LEU 13 2HB LEU 13 4.364 -2.048 -4.632 103 HG LEU 13 HG LEU 13 4.493 -3.968 -2.974 104 1HD1 LEU 13 1HD1 LEU 13 2.285 -2.167 -3.536 105 2HD1 LEU 13 2HD1 LEU 13 1.742 -3.628 -2.698 106 3HD1 LEU 13 3HD1 LEU 13 3.000 -2.614 -1.984 107 1HD2 LEU 13 1HD2 LEU 13 3.728 -5.737 -4.591 108 2HD2 LEU 13 2HD2 LEU 13 2.798 -5.710 -3.091 109 3HD2 LEU 13 3HD2 LEU 13 2.118 -5.005 -4.556 110 H SER 14 H SER 14 4.966 -2.670 -7.544 111 HA SER 14 HA SER 14 4.577 0.077 -8.154 112 1HB SER 14 1HB SER 14 5.827 -0.875 -10.391 113 2HB SER 14 2HB SER 14 6.656 -0.493 -8.885 114 HG SER 14 HG SER 14 5.844 -2.976 -9.923 115 H SER 15 H SER 15 3.446 -2.873 -9.812 116 HA SER 15 HA SER 15 2.275 -1.660 -12.084 117 1HB SER 15 1HB SER 15 2.516 -4.085 -11.915 118 2HB SER 15 2HB SER 15 1.390 -4.119 -10.561 119 HG SER 15 HG SER 15 -0.244 -3.788 -11.898 120 H ILE 16 H ILE 16 0.845 -2.388 -8.950 121 HA ILE 16 HA ILE 16 -1.758 -1.371 -9.471 122 HB ILE 16 HB ILE 16 -0.135 -1.632 -6.934 123 1HG1 ILE 16 2HG1 ILE 16 -1.903 -3.313 -8.475 124 2HG1 ILE 16 1HG1 ILE 16 -2.622 -3.011 -6.893 125 1HG2 ILE 16 1HG2 ILE 16 -2.527 -0.026 -7.446 126 2HG2 ILE 16 2HG2 ILE 16 -2.777 -1.231 -6.189 127 3HG2 ILE 16 3HG2 ILE 16 -1.478 -0.050 -6.028 128 1HD1 ILE 16 1HD1 ILE 16 0.101 -3.480 -6.385 129 2HD1 ILE 16 2HD1 ILE 16 -1.239 -4.577 -6.056 130 3HD1 ILE 16 3HD1 ILE 16 -0.363 -4.691 -7.582 131 H ALA 17 H ALA 17 1.181 0.232 -8.210 132 HA ALA 17 HA ALA 17 0.137 2.821 -7.788 133 1HB ALA 17 2HB ALA 17 2.574 3.262 -9.076 134 2HB ALA 17 1HB ALA 17 2.756 1.673 -8.337 135 3HB ALA 17 3HB ALA 17 2.331 3.066 -7.343 136 H LYS 18 H LYS 18 1.398 1.362 -10.808 137 HA LYS 18 HA LYS 18 1.121 3.535 -12.553 138 1HB LYS 18 1HB LYS 18 1.482 0.724 -12.799 139 2HB LYS 18 2HB LYS 18 0.181 1.183 -13.901 140 1HG LYS 18 1HG LYS 18 1.581 2.891 -14.920 141 2HG LYS 18 2HG LYS 18 2.862 2.588 -13.745 142 1HD LYS 18 1HD LYS 18 3.633 0.806 -14.899 143 2HD LYS 18 2HD LYS 18 2.010 0.149 -15.111 144 1HE LYS 18 1HE LYS 18 1.615 1.440 -17.055 145 2HE LYS 18 2HE LYS 18 2.958 2.529 -16.707 146 1HZ LYS 18 1HZ LYS 18 4.192 0.153 -16.830 147 2HZ LYS 18 2HZ LYS 18 2.967 -0.063 -17.984 148 3HZ LYS 18 3HZ LYS 18 4.057 1.230 -18.137 149 H ARG 19 H ARG 19 -1.408 1.328 -11.387 150 HA ARG 19 HA ARG 19 -3.524 2.140 -13.085 151 1HB ARG 19 1HB ARG 19 -3.240 0.539 -10.789 152 2HB ARG 19 2HB ARG 19 -4.437 1.760 -10.360 153 1HG ARG 19 2HG ARG 19 -5.082 0.976 -12.983 154 2HG ARG 19 1HG ARG 19 -5.961 0.568 -11.509 155 1HD ARG 19 1HD ARG 19 -4.469 -1.397 -11.197 156 2HD ARG 19 2HD ARG 19 -5.356 -1.479 -12.719 157 HE ARG 19 HE ARG 19 -2.454 -0.943 -12.437 158 1HH1 ARG 19 1HH1 ARG 19 -4.582 -2.728 -14.172 159 2HH1 ARG 19 2HH1 ARG 19 -4.034 -2.253 -15.743 160 1HH2 ARG 19 1HH2 ARG 19 -2.030 0.320 -14.560 161 2HH2 ARG 19 2HH2 ARG 19 -2.587 -0.528 -15.963 162 H HIS 20 H HIS 20 -2.109 3.720 -10.270 163 HA HIS 20 HA HIS 20 -4.054 5.963 -10.636 164 1HB HIS 20 2HB HIS 20 -4.261 6.110 -8.394 165 2HB HIS 20 1HB HIS 20 -2.523 6.071 -8.167 166 HD1 HIS 20 HD1 HIS 20 -5.557 3.925 -8.057 167 HD2 HIS 20 HD2 HIS 20 -1.435 3.410 -7.814 168 HE1 HIS 20 HE1 HIS 20 -5.151 1.599 -7.133 169 H GLY 21 H GLY 21 -1.129 5.237 -11.735 170 1HA GLY 21 1HA GLY 21 0.839 6.451 -12.190 171 2HA GLY 21 2HA GLY 21 -0.227 7.862 -12.194 172 H VAL 22 H VAL 22 0.851 5.601 -9.654 173 HA VAL 22 HA VAL 22 1.593 7.991 -8.021 174 HB VAL 22 HB VAL 22 1.183 6.142 -6.146 175 1HG1 VAL 22 1HG1 VAL 22 -0.839 7.863 -7.586 176 2HG1 VAL 22 2HG1 VAL 22 -1.223 7.009 -6.089 177 3HG1 VAL 22 3HG1 VAL 22 0.045 8.235 -6.105 178 1HG2 VAL 22 1HG2 VAL 22 0.579 4.532 -8.080 179 2HG2 VAL 22 2HG2 VAL 22 -0.466 4.566 -6.663 180 3HG2 VAL 22 3HG2 VAL 22 -0.949 5.417 -8.133 181 H ASN 23 H ASN 23 3.159 7.321 -6.167 182 HA ASN 23 HA ASN 23 5.361 5.737 -7.415 183 1HB ASN 23 1HB ASN 23 5.280 8.051 -5.506 184 2HB ASN 23 2HB ASN 23 6.684 6.985 -5.522 185 2HD2 ASN 23 2HD2 ASN 23 8.266 8.063 -6.725 186 1HD2 ASN 23 1HD2 ASN 23 8.006 8.781 -8.239 187 H ILE 24 H ILE 24 4.865 3.659 -6.697 188 HA ILE 24 HA ILE 24 3.894 2.934 -4.164 189 HB ILE 24 HB ILE 24 5.834 1.367 -5.885 190 1HG1 ILE 24 1HG1 ILE 24 3.808 2.155 -7.050 191 2HG1 ILE 24 2HG1 ILE 24 3.801 0.412 -6.830 192 1HG2 ILE 24 1HG2 ILE 24 4.191 0.779 -3.473 193 2HG2 ILE 24 2HG2 ILE 24 4.209 -0.438 -4.757 194 3HG2 ILE 24 3HG2 ILE 24 5.723 0.063 -3.992 195 1HD1 ILE 24 1HD1 ILE 24 2.413 2.340 -4.931 196 2HD1 ILE 24 2HD1 ILE 24 1.600 1.512 -6.264 197 3HD1 ILE 24 3HD1 ILE 24 2.295 0.561 -4.948 198 H LYS 25 H LYS 25 7.104 4.002 -5.081 199 HA LYS 25 HA LYS 25 8.493 2.993 -2.778 200 1HB LYS 25 1HB LYS 25 10.011 5.013 -3.165 201 2HB LYS 25 2HB LYS 25 9.871 3.881 -4.509 202 1HG LYS 25 1HG LYS 25 8.307 5.326 -5.654 203 2HG LYS 25 2HG LYS 25 8.193 6.391 -4.252 204 1HD LYS 25 2HD LYS 25 10.908 6.329 -4.724 205 2HD LYS 25 1HD LYS 25 9.816 7.603 -5.264 206 1HE LYS 25 1HE LYS 25 10.971 5.306 -6.810 207 2HE LYS 25 2HE LYS 25 9.395 5.941 -7.282 208 1HZ LYS 25 1HZ LYS 25 10.419 8.171 -7.352 209 2HZ LYS 25 2HZ LYS 25 11.933 7.465 -7.056 210 3HZ LYS 25 3HZ LYS 25 11.091 7.094 -8.484 211 H ASP 26 H ASP 26 6.535 5.891 -3.407 212 HA ASP 26 HA ASP 26 6.947 7.120 -0.847 213 1HB ASP 26 2HB ASP 26 4.858 8.330 -1.274 214 2HB ASP 26 1HB ASP 26 4.465 7.223 -2.581 215 H VAL 27 H VAL 27 4.714 4.738 -2.142 216 HA VAL 27 HA VAL 27 3.095 4.378 0.183 217 HB VAL 27 HB VAL 27 4.026 2.207 -1.714 218 1HG1 VAL 27 1HG1 VAL 27 2.133 2.378 0.527 219 2HG1 VAL 27 2HG1 VAL 27 1.435 1.695 -0.945 220 3HG1 VAL 27 3HG1 VAL 27 2.864 0.957 -0.222 221 1HG2 VAL 27 1HG2 VAL 27 2.980 4.342 -2.698 222 2HG2 VAL 27 2HG2 VAL 27 2.228 2.809 -3.141 223 3HG2 VAL 27 3HG2 VAL 27 1.492 3.832 -1.905 224 H MET 28 H MET 28 6.205 2.890 -0.752 225 HA MET 28 HA MET 28 6.432 1.391 1.735 226 1HB MET 28 2HB MET 28 8.615 0.792 0.968 227 2HB MET 28 1HB MET 28 8.706 2.199 -0.093 228 1HG MET 28 1HG MET 28 6.361 0.621 -0.720 229 2HG MET 28 2HG MET 28 7.711 1.062 -1.766 230 1HE MET 28 1HE MET 28 9.547 0.030 -2.251 231 2HE MET 28 2HE MET 28 10.379 -0.497 -0.792 232 3HE MET 28 3HE MET 28 9.974 -1.673 -2.040 233 H ARG 29 H ARG 29 6.826 4.651 0.829 234 HA ARG 29 HA ARG 29 8.897 5.361 2.744 235 1HB ARG 29 1HB ARG 29 8.208 6.685 0.658 236 2HB ARG 29 2HB ARG 29 6.805 7.215 1.585 237 1HG ARG 29 1HG ARG 29 8.531 7.893 3.402 238 2HG ARG 29 2HG ARG 29 9.718 7.778 2.100 239 1HD ARG 29 1HD ARG 29 8.422 9.379 0.758 240 2HD ARG 29 2HD ARG 29 7.204 9.475 2.030 241 HE ARG 29 HE ARG 29 8.607 11.044 3.067 242 1HH1 ARG 29 1HH1 ARG 29 10.724 10.129 4.313 243 2HH1 ARG 29 2HH1 ARG 29 12.119 10.284 3.298 244 1HH2 ARG 29 1HH2 ARG 29 10.279 10.685 0.384 245 2HH2 ARG 29 2HH2 ARG 29 11.867 10.599 1.072 246 H TRP 30 H TRP 30 5.308 5.485 2.722 247 HA TRP 30 HA TRP 30 5.304 6.517 5.487 248 1HB TRP 30 2HB TRP 30 2.917 6.530 5.332 249 2HB TRP 30 1HB TRP 30 2.931 5.412 3.969 250 HD1 TRP 30 HD1 TRP 30 4.318 8.939 4.779 251 HE1 TRP 30 HE1 TRP 30 4.160 10.357 2.628 252 HE3 TRP 30 HE3 TRP 30 2.446 5.450 1.588 253 HZ2 TRP 30 HZ2 TRP 30 3.336 10.036 -0.098 254 HZ3 TRP 30 HZ3 TRP 30 1.981 6.015 -0.769 255 HH2 TRP 30 HH2 TRP 30 2.422 8.303 -1.625 256 H ASN 31 H ASN 31 4.780 3.425 3.827 257 HA ASN 31 HA ASN 31 4.173 2.133 6.421 258 1HB ASN 31 1HB ASN 31 4.381 0.967 3.631 259 2HB ASN 31 2HB ASN 31 3.861 0.092 5.073 260 2HD2 ASN 31 2HD2 ASN 31 2.928 2.674 2.806 261 1HD2 ASN 31 1HD2 ASN 31 1.300 2.730 3.278 262 H SER 32 H SER 32 5.621 0.884 7.513 263 HA SER 32 HA SER 32 8.390 0.797 6.437 264 1HB SER 32 1HB SER 32 8.387 1.777 8.600 265 2HB SER 32 2HB SER 32 7.245 0.588 9.220 266 HG SER 32 HG SER 32 8.831 -0.791 9.498 267 H ASP 33 H ASP 33 5.696 -1.172 7.260 268 HA ASP 33 HA ASP 33 7.289 -3.584 6.538 269 1HB ASP 33 1HB ASP 33 5.809 -3.039 8.995 270 2HB ASP 33 2HB ASP 33 5.227 -4.495 8.186 271 H THR 34 H THR 34 6.481 -3.663 4.425 272 HA THR 34 HA THR 34 3.564 -3.485 4.012 273 HB THR 34 HB THR 34 4.160 -3.729 1.610 274 HG1 THR 34 HG1 THR 34 6.603 -3.468 1.390 275 1HG2 THR 34 1HG2 THR 34 5.637 -1.676 3.264 276 2HG2 THR 34 2HG2 THR 34 5.568 -1.610 1.503 277 3HG2 THR 34 3HG2 THR 34 4.085 -1.493 2.449 278 H ALA 35 H ALA 35 4.768 -5.752 5.550 279 HA ALA 35 HA ALA 35 4.714 -8.112 3.915 280 1HB ALA 35 3HB ALA 35 5.121 -9.244 5.866 281 2HB ALA 35 1HB ALA 35 5.502 -7.626 6.455 282 3HB ALA 35 2HB ALA 35 3.913 -8.326 6.766 283 H ASN 36 H ASN 36 2.239 -5.994 4.787 284 HA ASN 36 HA ASN 36 0.152 -8.029 5.035 285 1HB ASN 36 1HB ASN 36 0.375 -5.354 5.777 286 2HB ASN 36 2HB ASN 36 -0.745 -5.317 4.415 287 2HD2 ASN 36 2HD2 ASN 36 -1.680 -4.747 7.039 288 1HD2 ASN 36 1HD2 ASN 36 -2.698 -6.007 7.545 289 H LEU 37 H LEU 37 1.957 -7.014 2.448 290 HA LEU 37 HA LEU 37 -0.196 -6.601 0.523 291 1HB LEU 37 1HB LEU 37 2.777 -7.091 0.258 292 2HB LEU 37 2HB LEU 37 1.713 -7.038 -1.149 293 HG LEU 37 HG LEU 37 1.268 -4.788 -0.913 294 1HD1 LEU 37 1HD1 LEU 37 1.934 -5.115 2.021 295 2HD1 LEU 37 2HD1 LEU 37 1.613 -3.559 1.264 296 3HD1 LEU 37 3HD1 LEU 37 0.352 -4.789 1.316 297 1HD2 LEU 37 1HD2 LEU 37 3.992 -5.196 0.342 298 2HD2 LEU 37 2HD2 LEU 37 3.634 -4.955 -1.368 299 3HD2 LEU 37 3HD2 LEU 37 3.396 -3.634 -0.223 300 H GLN 38 H GLN 38 -1.379 -8.561 1.246 301 HA GLN 38 HA GLN 38 -0.294 -11.084 0.096 302 1HB GLN 38 1HB GLN 38 -2.338 -10.504 2.256 303 2HB GLN 38 2HB GLN 38 -2.210 -12.091 1.499 304 1HG GLN 38 1HG GLN 38 0.134 -10.669 2.784 305 2HG GLN 38 2HG GLN 38 -0.879 -11.836 3.637 306 2HE2 GLN 38 2HE2 GLN 38 -1.204 -13.974 2.145 307 1HE2 GLN 38 1HE2 GLN 38 0.239 -14.587 1.496 308 HA PRO 39 HA PRO 39 -3.354 -10.893 -2.960 309 1HB PRO 39 1HB PRO 39 -4.274 -13.502 -3.085 310 2HB PRO 39 2HB PRO 39 -2.730 -12.958 -3.768 311 1HG PRO 39 2HG PRO 39 -1.829 -14.524 -2.314 312 2HG PRO 39 1HG PRO 39 -3.239 -14.481 -1.241 313 1HD PRO 39 1HD PRO 39 -1.929 -13.153 0.123 314 2HD PRO 39 2HD PRO 39 -0.772 -12.813 -1.183 315 H GLY 40 H GLY 40 -4.722 -9.538 -1.691 316 1HA GLY 40 1HA GLY 40 -7.285 -9.576 -1.532 317 2HA GLY 40 2HA GLY 40 -7.039 -10.901 -0.394 318 H ASP 41 H ASP 41 -4.582 -8.454 -0.215 319 HA ASP 41 HA ASP 41 -5.921 -7.434 2.268 320 1HB ASP 41 1HB ASP 41 -3.274 -8.399 1.736 321 2HB ASP 41 2HB ASP 41 -3.179 -6.699 2.199 322 H LYS 42 H LYS 42 -5.869 -5.147 2.660 323 HA LYS 42 HA LYS 42 -5.862 -3.551 0.205 324 1HB LYS 42 1HB LYS 42 -7.031 -1.958 1.410 325 2HB LYS 42 2HB LYS 42 -7.450 -3.406 2.320 326 1HG LYS 42 1HG LYS 42 -5.105 -1.625 3.034 327 2HG LYS 42 2HG LYS 42 -6.712 -1.438 3.735 328 1HD LYS 42 1HD LYS 42 -6.502 -3.985 4.280 329 2HD LYS 42 2HD LYS 42 -4.773 -3.718 4.053 330 1HE LYS 42 1HE LYS 42 -6.612 -2.464 6.090 331 2HE LYS 42 2HE LYS 42 -5.113 -3.353 6.365 332 1HZ LYS 42 1HZ LYS 42 -4.083 -1.456 4.972 333 2HZ LYS 42 2HZ LYS 42 -5.489 -0.600 5.394 334 3HZ LYS 42 3HZ LYS 42 -4.449 -1.180 6.604 335 H LEU 43 H LEU 43 -4.623 -1.524 0.046 336 HA LEU 43 HA LEU 43 -2.130 -1.471 1.669 337 1HB LEU 43 1HB LEU 43 -2.392 -2.322 -1.058 338 2HB LEU 43 2HB LEU 43 -1.453 -0.833 -1.011 339 HG LEU 43 HG LEU 43 -0.885 -3.472 0.339 340 1HD1 LEU 43 1HD1 LEU 43 0.353 -1.682 -1.688 341 2HD1 LEU 43 2HD1 LEU 43 1.439 -2.595 -0.641 342 3HD1 LEU 43 3HD1 LEU 43 0.262 -3.442 -1.643 343 1HD2 LEU 43 1HD2 LEU 43 -0.322 -0.783 1.368 344 2HD2 LEU 43 2HD2 LEU 43 -0.154 -2.348 2.170 345 3HD2 LEU 43 3HD2 LEU 43 1.140 -1.741 1.133 346 H THR 44 H THR 44 -1.456 0.609 2.116 347 HA THR 44 HA THR 44 -3.180 2.806 1.469 348 HB THR 44 HB THR 44 -0.656 2.431 2.997 349 HG1 THR 44 HG1 THR 44 -2.822 4.119 3.586 350 1HG2 THR 44 1HG2 THR 44 -1.567 5.112 1.901 351 2HG2 THR 44 2HG2 THR 44 -0.394 4.918 3.200 352 3HG2 THR 44 3HG2 THR 44 -0.018 4.325 1.578 353 H LEU 45 H LEU 45 -3.086 4.120 -0.277 354 HA LEU 45 HA LEU 45 -0.545 4.178 -1.851 355 1HB LEU 45 1HB LEU 45 -3.397 3.994 -2.758 356 2HB LEU 45 2HB LEU 45 -2.275 4.941 -3.734 357 HG LEU 45 HG LEU 45 -1.576 2.142 -2.879 358 1HD1 LEU 45 1HD1 LEU 45 -3.195 3.054 -5.266 359 2HD1 LEU 45 2HD1 LEU 45 -2.487 1.446 -5.104 360 3HD1 LEU 45 3HD1 LEU 45 -3.739 1.976 -3.979 361 1HD2 LEU 45 1HD2 LEU 45 -0.777 4.027 -5.109 362 2HD2 LEU 45 2HD2 LEU 45 0.260 3.397 -3.823 363 3HD2 LEU 45 3HD2 LEU 45 -0.334 2.321 -5.094 364 H PHE 46 H PHE 46 -0.657 5.894 0.190 365 HA PHE 46 HA PHE 46 -2.058 8.327 -0.083 366 1HB PHE 46 1HB PHE 46 0.521 7.507 1.156 367 2HB PHE 46 2HB PHE 46 0.314 9.230 0.852 368 HD1 PHE 46 HD1 PHE 46 -2.634 9.503 1.237 369 HD2 PHE 46 HD2 PHE 46 0.307 7.327 3.494 370 HE1 PHE 46 HE1 PHE 46 -4.055 9.679 3.261 371 HE2 PHE 46 HE2 PHE 46 -1.118 7.501 5.515 372 HZ PHE 46 HZ PHE 46 -3.297 8.677 5.399 373 H VAL 47 H VAL 47 0.501 6.959 -1.885 374 HA VAL 47 HA VAL 47 1.895 8.914 -3.140 375 HB VAL 47 HB VAL 47 1.547 7.429 -5.246 376 1HG1 VAL 47 1HG1 VAL 47 2.641 6.520 -2.599 377 2HG1 VAL 47 2HG1 VAL 47 2.725 5.464 -4.017 378 3HG1 VAL 47 3HG1 VAL 47 3.517 7.050 -4.034 379 1HG2 VAL 47 1HG2 VAL 47 -0.649 6.503 -4.490 380 2HG2 VAL 47 2HG2 VAL 47 0.548 5.236 -4.788 381 3HG2 VAL 47 3HG2 VAL 47 0.178 5.729 -3.139 382 H LYS 48 H LYS 48 1.492 10.537 -4.629 383 HA LYS 48 HA LYS 48 -1.369 11.073 -5.230 384 1HB LYS 48 1HB LYS 48 0.415 12.778 -4.249 385 2HB LYS 48 2HB LYS 48 0.829 12.975 -5.952 386 1HG LYS 48 1HG LYS 48 -1.962 13.016 -5.923 387 2HG LYS 48 2HG LYS 48 -1.500 13.948 -4.497 388 1HD LYS 48 1HD LYS 48 -0.073 14.443 -7.091 389 2HD LYS 48 2HD LYS 48 -1.675 15.140 -6.842 390 1HE LYS 48 1HE LYS 48 -0.967 16.474 -5.062 391 2HE LYS 48 2HE LYS 48 0.413 15.436 -4.702 392 1HZ LYS 48 1HZ LYS 48 0.816 16.292 -7.274 393 2HZ LYS 48 2HZ LYS 48 0.246 17.668 -6.463 394 3HZ LYS 48 3HZ LYS 48 1.619 16.851 -5.884 No H/Q in entry = 394 Start of MODEL 6 1 H1 ASP 1 1H ASP 1 -9.852 8.830 1.380 2 H2 ASP 1 2H ASP 1 -9.445 9.439 2.912 3 H3 ASP 1 3H ASP 1 -10.823 10.015 2.112 4 HA ASP 1 HA ASP 1 -9.623 11.245 0.592 5 1HB ASP 1 1HB ASP 1 -9.046 11.508 3.348 6 2HB ASP 1 2HB ASP 1 -7.516 11.732 2.498 7 H SER 2 H SER 2 -7.698 8.655 2.017 8 HA SER 2 HA SER 2 -5.544 9.141 0.035 9 1HB SER 2 1HB SER 2 -4.642 7.033 1.400 10 2HB SER 2 2HB SER 2 -4.487 8.674 2.025 11 HG SER 2 HG SER 2 -5.901 8.219 3.522 12 H ILE 3 H ILE 3 -4.686 7.077 -1.034 13 HA ILE 3 HA ILE 3 -6.954 5.658 -2.213 14 HB ILE 3 HB ILE 3 -4.010 5.662 -2.905 15 1HG1 ILE 3 1HG1 ILE 3 -6.395 6.948 -4.271 16 2HG1 ILE 3 2HG1 ILE 3 -5.169 7.806 -3.334 17 1HG2 ILE 3 1HG2 ILE 3 -5.260 3.553 -3.511 18 2HG2 ILE 3 2HG2 ILE 3 -6.324 4.546 -4.509 19 3HG2 ILE 3 3HG2 ILE 3 -4.606 4.433 -4.893 20 1HD1 ILE 3 1HD1 ILE 3 -4.279 6.025 -5.578 21 2HD1 ILE 3 2HD1 ILE 3 -4.941 7.615 -5.965 22 3HD1 ILE 3 3HD1 ILE 3 -3.516 7.479 -4.934 23 H THR 4 H THR 4 -7.328 3.468 -1.935 24 HA THR 4 HA THR 4 -5.324 1.913 -0.359 25 HB THR 4 HB THR 4 -8.336 1.922 0.040 26 HG1 THR 4 HG1 THR 4 -6.610 3.482 1.047 27 1HG2 THR 4 1HG2 THR 4 -6.842 -0.297 0.208 28 2HG2 THR 4 2HG2 THR 4 -6.476 0.382 1.793 29 3HG2 THR 4 3HG2 THR 4 -8.145 0.035 1.348 30 H TYR 5 H TYR 5 -4.672 0.282 -1.719 31 HA TYR 5 HA TYR 5 -6.751 -0.804 -3.570 32 1HB TYR 5 1HB TYR 5 -5.242 -0.884 -5.281 33 2HB TYR 5 2HB TYR 5 -4.577 0.471 -4.384 34 HD1 TYR 5 HD1 TYR 5 -4.230 -3.254 -4.815 35 HD2 TYR 5 HD2 TYR 5 -2.389 0.421 -3.563 36 HE1 TYR 5 HE1 TYR 5 -2.053 -4.379 -4.713 37 HE2 TYR 5 HE2 TYR 5 -0.199 -0.725 -3.456 38 HH TYR 5 HH TYR 5 0.116 -4.145 -4.394 39 H ARG 6 H ARG 6 -7.000 -2.990 -3.754 40 HA ARG 6 HA ARG 6 -5.739 -4.578 -1.615 41 1HB ARG 6 1HB ARG 6 -8.229 -4.700 -3.127 42 2HB ARG 6 2HB ARG 6 -7.409 -6.262 -3.098 43 1HG ARG 6 2HG ARG 6 -7.213 -5.131 -0.486 44 2HG ARG 6 1HG ARG 6 -8.091 -6.579 -0.980 45 1HD ARG 6 2HD ARG 6 -9.189 -3.767 -1.254 46 2HD ARG 6 1HD ARG 6 -9.530 -4.819 0.119 47 HE ARG 6 HE ARG 6 -10.305 -5.501 -2.691 48 1HH1 ARG 6 1HH1 ARG 6 -10.429 -7.721 -0.713 49 2HH1 ARG 6 2HH1 ARG 6 -12.058 -7.619 -0.137 50 1HH2 ARG 6 1HH2 ARG 6 -12.558 -4.401 -1.332 51 2HH2 ARG 6 2HH2 ARG 6 -13.265 -5.737 -0.487 52 H VAL 7 H VAL 7 -4.033 -5.771 -1.982 53 HA VAL 7 HA VAL 7 -2.953 -6.068 -4.677 54 HB VAL 7 HB VAL 7 -1.980 -7.363 -2.124 55 1HG1 VAL 7 1HG1 VAL 7 -0.997 -7.086 -4.838 56 2HG1 VAL 7 2HG1 VAL 7 0.117 -6.323 -3.690 57 3HG1 VAL 7 3HG1 VAL 7 -0.334 -8.026 -3.499 58 1HG2 VAL 7 1HG2 VAL 7 -2.384 -4.579 -2.656 59 2HG2 VAL 7 2HG2 VAL 7 -1.578 -5.324 -1.261 60 3HG2 VAL 7 3HG2 VAL 7 -0.631 -4.904 -2.694 61 H ARG 8 H ARG 8 -3.872 -7.605 -5.961 62 HA ARG 8 HA ARG 8 -4.868 -10.114 -4.708 63 1HB ARG 8 1HB ARG 8 -5.539 -8.552 -7.114 64 2HB ARG 8 2HB ARG 8 -5.492 -10.295 -7.376 65 1HG ARG 8 1HG ARG 8 -6.834 -10.240 -5.036 66 2HG ARG 8 2HG ARG 8 -7.335 -8.681 -5.693 67 1HD ARG 8 1HD ARG 8 -8.312 -9.663 -7.600 68 2HD ARG 8 2HD ARG 8 -7.428 -11.174 -7.385 69 HE ARG 8 HE ARG 8 -8.949 -11.741 -5.561 70 1HH1 ARG 8 1HH1 ARG 8 -9.862 -9.330 -4.360 71 2HH1 ARG 8 2HH1 ARG 8 -11.397 -9.014 -5.095 72 1HH2 ARG 8 1HH2 ARG 8 -10.842 -11.133 -7.784 73 2HH2 ARG 8 2HH2 ARG 8 -11.953 -10.035 -7.036 74 H LYS 9 H LYS 9 -4.312 -12.194 -5.810 75 HA LYS 9 HA LYS 9 -1.527 -12.554 -6.106 76 1HB LYS 9 1HB LYS 9 -3.836 -14.185 -7.190 77 2HB LYS 9 2HB LYS 9 -2.151 -14.693 -7.313 78 1HG LYS 9 1HG LYS 9 -1.970 -14.460 -4.815 79 2HG LYS 9 2HG LYS 9 -3.706 -14.158 -4.770 80 1HD LYS 9 1HD LYS 9 -2.683 -16.594 -6.191 81 2HD LYS 9 2HD LYS 9 -2.798 -16.607 -4.430 82 1HE LYS 9 1HE LYS 9 -5.115 -15.740 -6.161 83 2HE LYS 9 2HE LYS 9 -4.860 -17.432 -5.732 84 1HZ LYS 9 1HZ LYS 9 -4.771 -15.452 -3.583 85 2HZ LYS 9 2HZ LYS 9 -6.289 -15.828 -4.238 86 3HZ LYS 9 3HZ LYS 9 -5.331 -17.054 -3.559 87 H GLY 10 H GLY 10 -0.149 -12.423 -7.850 88 1HA GLY 10 1HA GLY 10 0.480 -12.159 -10.137 89 2HA GLY 10 2HA GLY 10 -1.226 -12.019 -10.563 90 H ASP 11 H ASP 11 -1.062 -9.990 -8.035 91 HA ASP 11 HA ASP 11 -0.813 -7.635 -9.770 92 1HB ASP 11 1HB ASP 11 -1.571 -8.015 -6.870 93 2HB ASP 11 2HB ASP 11 -1.367 -6.421 -7.591 94 H SER 12 H SER 12 0.703 -5.939 -9.387 95 HA SER 12 HA SER 12 3.051 -6.753 -7.720 96 1HB SER 12 1HB SER 12 2.885 -5.924 -10.545 97 2HB SER 12 2HB SER 12 4.112 -5.071 -9.612 98 HG SER 12 HG SER 12 3.774 -7.891 -9.631 99 H LEU 13 H LEU 13 3.822 -5.177 -6.367 100 HA LEU 13 HA LEU 13 2.255 -2.986 -5.520 101 1HB LEU 13 1HB LEU 13 5.187 -3.646 -5.342 102 2HB LEU 13 2HB LEU 13 4.585 -2.114 -4.720 103 HG LEU 13 HG LEU 13 4.672 -3.932 -2.984 104 1HD1 LEU 13 1HD1 LEU 13 2.448 -2.215 -3.671 105 2HD1 LEU 13 2HD1 LEU 13 1.886 -3.671 -2.836 106 3HD1 LEU 13 3HD1 LEU 13 3.094 -2.621 -2.079 107 1HD2 LEU 13 1HD2 LEU 13 3.947 -5.746 -4.658 108 2HD2 LEU 13 2HD2 LEU 13 3.183 -5.791 -3.070 109 3HD2 LEU 13 3HD2 LEU 13 2.305 -5.125 -4.445 110 H SER 14 H SER 14 5.155 -2.794 -7.618 111 HA SER 14 HA SER 14 4.771 -0.052 -8.274 112 1HB SER 14 1HB SER 14 6.239 -2.323 -9.597 113 2HB SER 14 2HB SER 14 6.134 -0.752 -10.387 114 HG SER 14 HG SER 14 7.884 -1.396 -8.656 115 H SER 15 H SER 15 3.652 -3.037 -9.877 116 HA SER 15 HA SER 15 2.500 -1.884 -12.185 117 1HB SER 15 1HB SER 15 2.726 -4.306 -11.933 118 2HB SER 15 2HB SER 15 1.575 -4.288 -10.600 119 HG SER 15 HG SER 15 1.119 -4.365 -13.245 120 H ILE 16 H ILE 16 1.014 -2.537 -9.057 121 HA ILE 16 HA ILE 16 -1.560 -1.483 -9.648 122 HB ILE 16 HB ILE 16 -0.011 -1.733 -7.062 123 1HG1 ILE 16 2HG1 ILE 16 -1.738 -3.430 -8.641 124 2HG1 ILE 16 1HG1 ILE 16 -2.489 -3.120 -7.077 125 1HG2 ILE 16 1HG2 ILE 16 -2.408 -0.159 -7.674 126 2HG2 ILE 16 2HG2 ILE 16 -2.662 -1.332 -6.388 127 3HG2 ILE 16 3HG2 ILE 16 -1.384 -0.126 -6.239 128 1HD1 ILE 16 1HD1 ILE 16 0.215 -3.580 -6.497 129 2HD1 ILE 16 2HD1 ILE 16 -1.126 -4.689 -6.212 130 3HD1 ILE 16 3HD1 ILE 16 -0.201 -4.789 -7.711 131 H ALA 17 H ALA 17 1.381 0.082 -8.345 132 HA ALA 17 HA ALA 17 0.388 2.689 -7.935 133 1HB ALA 17 2HB ALA 17 2.837 3.033 -9.274 134 2HB ALA 17 1HB ALA 17 2.973 1.485 -8.443 135 3HB ALA 17 3HB ALA 17 2.584 2.947 -7.533 136 H LYS 18 H LYS 18 1.609 1.198 -10.956 137 HA LYS 18 HA LYS 18 1.362 3.364 -12.712 138 1HB LYS 18 1HB LYS 18 1.587 0.509 -12.938 139 2HB LYS 18 2HB LYS 18 0.400 1.087 -14.108 140 1HG LYS 18 2HG LYS 18 2.134 2.905 -14.694 141 2HG LYS 18 1HG LYS 18 2.471 1.262 -15.243 142 1HD LYS 18 1HD LYS 18 3.526 1.415 -12.636 143 2HD LYS 18 2HD LYS 18 4.437 1.385 -14.145 144 1HE LYS 18 1HE LYS 18 3.255 3.973 -13.180 145 2HE LYS 18 2HE LYS 18 4.769 3.391 -12.486 146 1HZ LYS 18 1HZ LYS 18 4.684 3.211 -15.351 147 2HZ LYS 18 2HZ LYS 18 4.533 4.803 -14.785 148 3HZ LYS 18 3HZ LYS 18 5.880 3.869 -14.338 149 H ARG 19 H ARG 19 -1.194 1.192 -11.542 150 HA ARG 19 HA ARG 19 -3.301 2.036 -13.233 151 1HB ARG 19 1HB ARG 19 -3.176 0.216 -11.307 152 2HB ARG 19 2HB ARG 19 -3.836 1.528 -10.329 153 1HG ARG 19 1HG ARG 19 -5.154 1.202 -12.942 154 2HG ARG 19 2HG ARG 19 -5.343 -0.180 -11.863 155 1HD ARG 19 1HD ARG 19 -6.613 0.992 -10.369 156 2HD ARG 19 2HD ARG 19 -5.698 2.482 -10.606 157 HE ARG 19 HE ARG 19 -7.120 2.077 -12.991 158 1HH1 ARG 19 1HH1 ARG 19 -7.316 4.001 -10.377 159 2HH1 ARG 19 2HH1 ARG 19 -9.043 4.091 -10.290 160 1HH2 ARG 19 1HH2 ARG 19 -9.559 1.529 -12.571 161 2HH2 ARG 19 2HH2 ARG 19 -10.313 2.692 -11.532 162 H HIS 20 H HIS 20 -1.839 3.604 -10.443 163 HA HIS 20 HA HIS 20 -3.769 5.865 -10.779 164 1HB HIS 20 2HB HIS 20 -3.935 6.026 -8.532 165 2HB HIS 20 1HB HIS 20 -2.194 5.950 -8.333 166 HD1 HIS 20 HD1 HIS 20 -5.271 3.848 -8.227 167 HD2 HIS 20 HD2 HIS 20 -1.156 3.286 -7.952 168 HE1 HIS 20 HE1 HIS 20 -4.900 1.521 -7.294 169 H GLY 21 H GLY 21 -0.833 5.078 -11.864 170 1HA GLY 21 1HA GLY 21 1.141 6.271 -12.350 171 2HA GLY 21 2HA GLY 21 0.085 7.689 -12.386 172 H VAL 22 H VAL 22 1.139 5.471 -9.798 173 HA VAL 22 HA VAL 22 1.885 7.889 -8.211 174 HB VAL 22 HB VAL 22 1.459 6.062 -6.307 175 1HG1 VAL 22 1HG1 VAL 22 -0.522 7.813 -7.767 176 2HG1 VAL 22 2HG1 VAL 22 -0.930 6.979 -6.267 177 3HG1 VAL 22 3HG1 VAL 22 0.365 8.177 -6.287 178 1HG2 VAL 22 1HG2 VAL 22 0.858 4.360 -8.056 179 2HG2 VAL 22 2HG2 VAL 22 -0.385 4.622 -6.836 180 3HG2 VAL 22 3HG2 VAL 22 -0.557 5.342 -8.438 181 H ASN 23 H ASN 23 3.422 7.244 -6.323 182 HA ASN 23 HA ASN 23 5.654 5.670 -7.527 183 1HB ASN 23 1HB ASN 23 5.514 7.970 -5.601 184 2HB ASN 23 2HB ASN 23 6.928 6.917 -5.601 185 2HD2 ASN 23 2HD2 ASN 23 8.277 6.885 -7.544 186 1HD2 ASN 23 1HD2 ASN 23 8.143 8.095 -8.726 187 H ILE 24 H ILE 24 5.131 3.581 -6.826 188 HA ILE 24 HA ILE 24 4.140 2.868 -4.294 189 HB ILE 24 HB ILE 24 6.065 1.281 -6.011 190 1HG1 ILE 24 1HG1 ILE 24 4.039 2.083 -7.170 191 2HG1 ILE 24 2HG1 ILE 24 4.022 0.339 -6.950 192 1HG2 ILE 24 1HG2 ILE 24 4.421 0.713 -3.595 193 2HG2 ILE 24 2HG2 ILE 24 4.432 -0.510 -4.873 194 3HG2 ILE 24 3HG2 ILE 24 5.948 -0.015 -4.110 195 1HD1 ILE 24 1HD1 ILE 24 2.645 2.287 -5.062 196 2HD1 ILE 24 2HD1 ILE 24 1.830 1.431 -6.376 197 3HD1 ILE 24 3HD1 ILE 24 2.533 0.507 -5.047 198 H LYS 25 H LYS 25 7.348 3.928 -5.206 199 HA LYS 25 HA LYS 25 8.737 2.903 -2.907 200 1HB LYS 25 1HB LYS 25 10.381 4.676 -3.337 201 2HB LYS 25 2HB LYS 25 9.944 3.865 -4.838 202 1HG LYS 25 1HG LYS 25 8.331 5.685 -5.334 203 2HG LYS 25 2HG LYS 25 8.827 6.507 -3.855 204 1HD LYS 25 1HD LYS 25 11.244 6.038 -5.064 205 2HD LYS 25 2HD LYS 25 10.200 6.336 -6.454 206 1HE LYS 25 1HE LYS 25 9.779 8.518 -5.848 207 2HE LYS 25 2HE LYS 25 9.920 8.176 -4.124 208 1HZ LYS 25 1HZ LYS 25 12.336 7.883 -4.482 209 2HZ LYS 25 2HZ LYS 25 12.135 8.410 -6.085 210 3HZ LYS 25 3HZ LYS 25 11.793 9.462 -4.798 211 H ASP 26 H ASP 26 6.780 5.798 -3.539 212 HA ASP 26 HA ASP 26 7.208 7.036 -0.985 213 1HB ASP 26 1HB ASP 26 4.745 7.144 -2.747 214 2HB ASP 26 2HB ASP 26 5.091 8.228 -1.410 215 H VAL 27 H VAL 27 4.946 4.675 -2.273 216 HA VAL 27 HA VAL 27 3.343 4.319 0.063 217 HB VAL 27 HB VAL 27 4.244 2.136 -1.836 218 1HG1 VAL 27 1HG1 VAL 27 2.361 2.342 0.404 219 2HG1 VAL 27 2HG1 VAL 27 1.631 1.692 -1.069 220 3HG1 VAL 27 3HG1 VAL 27 3.044 0.907 -0.363 221 1HG2 VAL 27 1HG2 VAL 27 3.245 4.276 -2.846 222 2HG2 VAL 27 2HG2 VAL 27 2.449 2.760 -3.269 223 3HG2 VAL 27 3HG2 VAL 27 1.746 3.818 -2.044 224 H MET 28 H MET 28 6.439 2.812 -0.898 225 HA MET 28 HA MET 28 6.659 1.305 1.590 226 1HB MET 28 1HB MET 28 8.819 2.050 -0.409 227 2HB MET 28 2HB MET 28 8.919 0.784 0.816 228 1HG MET 28 1HG MET 28 6.549 0.543 -0.897 229 2HG MET 28 2HG MET 28 8.066 0.416 -1.789 230 1HE MET 28 1HE MET 28 9.955 -0.812 -1.155 231 2HE MET 28 2HE MET 28 9.929 -2.464 -0.520 232 3HE MET 28 3HE MET 28 9.148 -2.094 -2.056 233 H ARG 29 H ARG 29 7.090 4.556 0.686 234 HA ARG 29 HA ARG 29 9.211 5.209 2.576 235 1HB ARG 29 1HB ARG 29 8.656 6.568 0.523 236 2HB ARG 29 2HB ARG 29 7.166 7.065 1.324 237 1HG ARG 29 1HG ARG 29 8.908 7.646 3.288 238 2HG ARG 29 2HG ARG 29 9.976 7.853 1.899 239 1HD ARG 29 1HD ARG 29 8.175 9.308 0.864 240 2HD ARG 29 2HD ARG 29 7.342 9.252 2.417 241 HE ARG 29 HE ARG 29 10.121 10.100 2.653 242 1HH1 ARG 29 1HH1 ARG 29 7.757 11.048 4.308 243 2HH1 ARG 29 2HH1 ARG 29 7.591 12.682 3.760 244 1HH2 ARG 29 1HH2 ARG 29 9.537 12.209 0.927 245 2HH2 ARG 29 2HH2 ARG 29 8.598 13.340 1.845 246 H TRP 30 H TRP 30 5.636 5.371 2.567 247 HA TRP 30 HA TRP 30 5.640 6.457 5.310 248 1HB TRP 30 2HB TRP 30 3.246 6.456 5.151 249 2HB TRP 30 1HB TRP 30 3.275 5.342 3.785 250 HD1 TRP 30 HD1 TRP 30 4.746 8.841 4.595 251 HE1 TRP 30 HE1 TRP 30 4.568 10.280 2.461 252 HE3 TRP 30 HE3 TRP 30 2.695 5.430 1.421 253 HZ2 TRP 30 HZ2 TRP 30 3.668 10.007 -0.247 254 HZ3 TRP 30 HZ3 TRP 30 2.191 6.031 -0.921 255 HH2 TRP 30 HH2 TRP 30 2.671 8.312 -1.768 256 H ASN 31 H ASN 31 4.911 3.362 3.696 257 HA ASN 31 HA ASN 31 4.511 2.098 6.348 258 1HB ASN 31 2HB ASN 31 3.856 0.121 5.108 259 2HB ASN 31 1HB ASN 31 4.400 0.843 3.593 260 2HD2 ASN 31 2HD2 ASN 31 3.080 2.585 2.676 261 1HD2 ASN 31 1HD2 ASN 31 1.503 2.884 3.228 262 H SER 32 H SER 32 6.013 0.777 7.279 263 HA SER 32 HA SER 32 8.687 0.706 6.049 264 1HB SER 32 1HB SER 32 9.194 -0.544 8.275 265 2HB SER 32 2HB SER 32 8.837 1.179 8.344 266 HG SER 32 HG SER 32 7.625 -0.639 9.673 267 H ASP 33 H ASP 33 7.184 -1.861 7.895 268 HA ASP 33 HA ASP 33 8.127 -3.826 5.931 269 1HB ASP 33 1HB ASP 33 7.117 -5.494 7.513 270 2HB ASP 33 2HB ASP 33 8.300 -4.441 8.282 271 H THR 34 H THR 34 6.915 -4.036 4.110 272 HA THR 34 HA THR 34 4.020 -3.484 4.231 273 HB THR 34 HB THR 34 4.224 -3.966 1.713 274 HG1 THR 34 HG1 THR 34 6.239 -4.124 0.913 275 1HG2 THR 34 1HG2 THR 34 4.182 -1.699 2.822 276 2HG2 THR 34 2HG2 THR 34 5.945 -1.735 2.818 277 3HG2 THR 34 3HG2 THR 34 5.059 -1.744 1.293 278 H ALA 35 H ALA 35 4.719 -5.749 5.718 279 HA ALA 35 HA ALA 35 4.447 -8.189 4.224 280 1HB ALA 35 3HB ALA 35 4.878 -9.096 6.240 281 2HB ALA 35 1HB ALA 35 4.880 -7.468 6.920 282 3HB ALA 35 2HB ALA 35 3.391 -8.416 6.902 283 H ASN 36 H ASN 36 2.236 -5.711 4.852 284 HA ASN 36 HA ASN 36 -0.130 -7.406 5.052 285 1HB ASN 36 1HB ASN 36 0.495 -4.576 5.275 286 2HB ASN 36 2HB ASN 36 -0.921 -4.837 4.255 287 2HD2 ASN 36 2HD2 ASN 36 0.360 -6.342 7.288 288 1HD2 ASN 36 1HD2 ASN 36 -1.124 -6.289 8.109 289 H LEU 37 H LEU 37 1.958 -6.801 2.531 290 HA LEU 37 HA LEU 37 -0.080 -6.373 0.461 291 1HB LEU 37 1HB LEU 37 2.888 -6.967 0.369 292 2HB LEU 37 2HB LEU 37 1.888 -6.926 -1.085 293 HG LEU 37 HG LEU 37 1.458 -4.647 -0.898 294 1HD1 LEU 37 1HD1 LEU 37 2.210 -4.924 2.019 295 2HD1 LEU 37 2HD1 LEU 37 1.961 -3.369 1.233 296 3HD1 LEU 37 3HD1 LEU 37 0.629 -4.517 1.354 297 1HD2 LEU 37 1HD2 LEU 37 4.212 -5.145 0.251 298 2HD2 LEU 37 2HD2 LEU 37 3.789 -4.902 -1.443 299 3HD2 LEU 37 3HD2 LEU 37 3.661 -3.563 -0.300 300 H GLN 38 H GLN 38 -1.326 -8.272 1.287 301 HA GLN 38 HA GLN 38 -0.251 -10.871 0.317 302 1HB GLN 38 2HB GLN 38 -1.454 -11.923 1.987 303 2HB GLN 38 1HB GLN 38 -2.743 -10.719 1.956 304 1HG GLN 38 1HG GLN 38 -0.002 -9.937 2.912 305 2HG GLN 38 2HG GLN 38 -1.568 -9.242 3.334 306 2HE2 GLN 38 2HE2 GLN 38 -3.088 -11.242 4.291 307 1HE2 GLN 38 1HE2 GLN 38 -2.330 -12.081 5.556 308 HA PRO 39 HA PRO 39 -3.220 -10.855 -2.822 309 1HB PRO 39 1HB PRO 39 -4.153 -13.458 -2.806 310 2HB PRO 39 2HB PRO 39 -2.585 -12.969 -3.470 311 1HG PRO 39 2HG PRO 39 -1.741 -14.441 -1.890 312 2HG PRO 39 1HG PRO 39 -3.186 -14.322 -0.870 313 1HD PRO 39 1HD PRO 39 -1.917 -12.912 0.448 314 2HD PRO 39 2HD PRO 39 -0.710 -12.669 -0.834 315 H GLY 40 H GLY 40 -4.636 -9.415 -1.722 316 1HA GLY 40 1HA GLY 40 -7.169 -9.361 -1.616 317 2HA GLY 40 2HA GLY 40 -7.029 -10.699 -0.476 318 H ASP 41 H ASP 41 -4.523 -8.284 -0.229 319 HA ASP 41 HA ASP 41 -5.897 -7.286 2.245 320 1HB ASP 41 1HB ASP 41 -3.193 -8.169 1.681 321 2HB ASP 41 2HB ASP 41 -3.203 -6.528 2.326 322 H LYS 42 H LYS 42 -5.749 -4.991 2.703 323 HA LYS 42 HA LYS 42 -5.825 -3.359 0.274 324 1HB LYS 42 1HB LYS 42 -6.363 -2.866 3.196 325 2HB LYS 42 2HB LYS 42 -6.257 -1.524 2.059 326 1HG LYS 42 1HG LYS 42 -8.291 -1.978 1.188 327 2HG LYS 42 2HG LYS 42 -7.914 -3.694 1.033 328 1HD LYS 42 1HD LYS 42 -9.798 -3.331 2.592 329 2HD LYS 42 2HD LYS 42 -8.407 -4.030 3.421 330 1HE LYS 42 1HE LYS 42 -7.736 -1.767 4.181 331 2HE LYS 42 2HE LYS 42 -9.159 -1.091 3.389 332 1HZ LYS 42 1HZ LYS 42 -9.217 -3.151 5.527 333 2HZ LYS 42 2HZ LYS 42 -9.515 -1.495 5.761 334 3HZ LYS 42 3HZ LYS 42 -10.567 -2.417 4.803 335 H LEU 43 H LEU 43 -4.480 -1.502 -0.071 336 HA LEU 43 HA LEU 43 -1.966 -1.426 1.525 337 1HB LEU 43 1HB LEU 43 -2.285 -2.324 -1.177 338 2HB LEU 43 2HB LEU 43 -1.356 -0.827 -1.186 339 HG LEU 43 HG LEU 43 -0.733 -3.424 0.221 340 1HD1 LEU 43 1HD1 LEU 43 0.454 -1.677 -1.878 341 2HD1 LEU 43 2HD1 LEU 43 1.562 -2.565 -0.833 342 3HD1 LEU 43 3HD1 LEU 43 0.368 -3.435 -1.795 343 1HD2 LEU 43 1HD2 LEU 43 -0.097 -0.667 1.086 344 2HD2 LEU 43 2HD2 LEU 43 -0.061 -2.171 2.009 345 3HD2 LEU 43 3HD2 LEU 43 1.298 -1.740 0.969 346 H THR 44 H THR 44 -1.271 0.632 1.943 347 HA THR 44 HA THR 44 -2.978 2.847 1.312 348 HB THR 44 HB THR 44 -0.508 2.394 2.870 349 HG1 THR 44 HG1 THR 44 -2.634 2.599 3.731 350 1HG2 THR 44 1HG2 THR 44 -1.173 5.109 1.692 351 2HG2 THR 44 2HG2 THR 44 -0.016 4.833 2.991 352 3HG2 THR 44 3HG2 THR 44 0.294 4.178 1.381 353 H LEU 45 H LEU 45 -2.876 4.178 -0.430 354 HA LEU 45 HA LEU 45 -0.339 4.210 -2.010 355 1HB LEU 45 1HB LEU 45 -3.191 4.048 -2.943 356 2HB LEU 45 2HB LEU 45 -2.029 4.945 -3.922 357 HG LEU 45 HG LEU 45 -1.416 2.150 -2.993 358 1HD1 LEU 45 1HD1 LEU 45 -3.008 3.068 -5.396 359 2HD1 LEU 45 2HD1 LEU 45 -2.292 1.461 -5.258 360 3HD1 LEU 45 3HD1 LEU 45 -3.544 1.970 -4.124 361 1HD2 LEU 45 1HD2 LEU 45 -0.554 3.904 -5.314 362 2HD2 LEU 45 2HD2 LEU 45 0.447 3.431 -3.935 363 3HD2 LEU 45 3HD2 LEU 45 -0.073 2.221 -5.116 364 H PHE 46 H PHE 46 -0.457 5.955 0.016 365 HA PHE 46 HA PHE 46 -1.873 8.383 -0.349 366 1HB PHE 46 1HB PHE 46 0.938 8.007 0.731 367 2HB PHE 46 2HB PHE 46 -0.032 9.461 0.928 368 HD1 PHE 46 HD1 PHE 46 -2.700 7.793 1.218 369 HD2 PHE 46 HD2 PHE 46 1.135 7.651 3.145 370 HE1 PHE 46 HE1 PHE 46 -3.754 6.818 3.241 371 HE2 PHE 46 HE2 PHE 46 0.083 6.676 5.167 372 HZ PHE 46 HZ PHE 46 -2.360 6.258 5.215 373 H VAL 47 H VAL 47 0.712 6.958 -2.060 374 HA VAL 47 HA VAL 47 2.180 8.867 -3.300 375 HB VAL 47 HB VAL 47 1.821 7.370 -5.408 376 1HG1 VAL 47 1HG1 VAL 47 2.885 6.475 -2.744 377 2HG1 VAL 47 2HG1 VAL 47 2.968 5.407 -4.152 378 3HG1 VAL 47 3HG1 VAL 47 3.777 6.982 -4.178 379 1HG2 VAL 47 1HG2 VAL 47 -0.392 6.481 -4.655 380 2HG2 VAL 47 2HG2 VAL 47 0.790 5.196 -4.935 381 3HG2 VAL 47 3HG2 VAL 47 0.415 5.712 -3.292 382 H LYS 48 H LYS 48 1.859 10.470 -4.841 383 HA LYS 48 HA LYS 48 -0.881 11.372 -5.271 384 1HB LYS 48 1HB LYS 48 1.722 12.518 -5.405 385 2HB LYS 48 2HB LYS 48 0.978 12.716 -6.992 386 1HG LYS 48 2HG LYS 48 -1.062 13.284 -5.143 387 2HG LYS 48 1HG LYS 48 -0.193 14.444 -6.148 388 1HD LYS 48 1HD LYS 48 0.943 13.464 -3.526 389 2HD LYS 48 2HD LYS 48 1.380 14.910 -4.436 390 1HE LYS 48 1HE LYS 48 -0.176 16.114 -3.346 391 2HE LYS 48 2HE LYS 48 -1.435 14.982 -3.840 392 1HZ LYS 48 1HZ LYS 48 -0.776 13.543 -1.987 393 2HZ LYS 48 2HZ LYS 48 0.358 14.702 -1.490 394 3HZ LYS 48 3HZ LYS 48 -1.300 15.069 -1.455 No H/Q in entry = 394 Start of MODEL 7 1 H1 ASP 1 1H ASP 1 -6.610 12.794 -0.265 2 H2 ASP 1 2H ASP 1 -7.972 13.523 0.437 3 H3 ASP 1 3H ASP 1 -6.519 13.419 1.313 4 HA ASP 1 HA ASP 1 -7.717 11.707 2.233 5 1HB ASP 1 1HB ASP 1 -9.151 11.921 -0.235 6 2HB ASP 1 2HB ASP 1 -8.697 10.232 -0.006 7 H SER 2 H SER 2 -7.608 9.090 1.542 8 HA SER 2 HA SER 2 -4.820 8.728 0.516 9 1HB SER 2 1HB SER 2 -4.351 7.205 2.216 10 2HB SER 2 2HB SER 2 -5.374 8.358 3.066 11 HG SER 2 HG SER 2 -5.904 6.032 3.251 12 H ILE 3 H ILE 3 -4.482 6.921 -0.822 13 HA ILE 3 HA ILE 3 -6.910 5.809 -2.023 14 HB ILE 3 HB ILE 3 -3.990 5.638 -2.792 15 1HG1 ILE 3 1HG1 ILE 3 -6.365 7.102 -3.973 16 2HG1 ILE 3 2HG1 ILE 3 -4.940 7.827 -3.224 17 1HG2 ILE 3 1HG2 ILE 3 -5.312 3.587 -3.412 18 2HG2 ILE 3 2HG2 ILE 3 -6.389 4.628 -4.344 19 3HG2 ILE 3 3HG2 ILE 3 -4.689 4.483 -4.801 20 1HD1 ILE 3 1HD1 ILE 3 -3.803 6.199 -5.125 21 2HD1 ILE 3 2HD1 ILE 3 -5.276 6.729 -5.938 22 3HD1 ILE 3 3HD1 ILE 3 -4.121 7.922 -5.343 23 H THR 4 H THR 4 -7.366 3.561 -2.010 24 HA THR 4 HA THR 4 -5.522 1.862 -0.388 25 HB THR 4 HB THR 4 -8.456 1.375 -0.186 26 HG1 THR 4 HG1 THR 4 -8.598 3.439 0.359 27 1HG2 THR 4 1HG2 THR 4 -6.215 0.264 0.925 28 2HG2 THR 4 2HG2 THR 4 -6.705 1.398 2.185 29 3HG2 THR 4 3HG2 THR 4 -7.829 0.158 1.627 30 H TYR 5 H TYR 5 -4.832 0.294 -1.792 31 HA TYR 5 HA TYR 5 -6.860 -0.728 -3.740 32 1HB TYR 5 1HB TYR 5 -5.314 -0.750 -5.418 33 2HB TYR 5 2HB TYR 5 -4.647 0.564 -4.462 34 HD1 TYR 5 HD1 TYR 5 -4.362 -3.158 -4.983 35 HD2 TYR 5 HD2 TYR 5 -2.470 0.451 -3.621 36 HE1 TYR 5 HE1 TYR 5 -2.209 -4.330 -4.866 37 HE2 TYR 5 HE2 TYR 5 -0.310 -0.749 -3.478 38 HH TYR 5 HH TYR 5 -0.056 -4.164 -4.460 39 H ARG 6 H ARG 6 -7.227 -2.882 -3.809 40 HA ARG 6 HA ARG 6 -5.930 -4.503 -1.731 41 1HB ARG 6 2HB ARG 6 -8.387 -4.678 -2.110 42 2HB ARG 6 1HB ARG 6 -7.571 -6.226 -2.324 43 1HG ARG 6 1HG ARG 6 -7.959 -4.440 -4.706 44 2HG ARG 6 2HG ARG 6 -7.843 -6.199 -4.637 45 1HD ARG 6 1HD ARG 6 -10.055 -6.444 -3.898 46 2HD ARG 6 2HD ARG 6 -10.147 -4.781 -3.322 47 HE ARG 6 HE ARG 6 -9.858 -4.353 -5.970 48 1HH1 ARG 6 1HH1 ARG 6 -12.493 -4.891 -4.207 49 2HH1 ARG 6 2HH1 ARG 6 -13.415 -5.749 -5.396 50 1HH2 ARG 6 1HH2 ARG 6 -10.721 -6.222 -7.529 51 2HH2 ARG 6 2HH2 ARG 6 -12.412 -6.502 -7.277 52 H VAL 7 H VAL 7 -4.225 -5.696 -2.095 53 HA VAL 7 HA VAL 7 -3.136 -5.978 -4.790 54 HB VAL 7 HB VAL 7 -2.137 -7.278 -2.251 55 1HG1 VAL 7 1HG1 VAL 7 -1.160 -6.914 -4.960 56 2HG1 VAL 7 2HG1 VAL 7 -0.059 -6.166 -3.790 57 3HG1 VAL 7 3HG1 VAL 7 -0.483 -7.880 -3.646 58 1HG2 VAL 7 1HG2 VAL 7 -2.559 -4.473 -2.780 59 2HG2 VAL 7 2HG2 VAL 7 -1.848 -5.237 -1.345 60 3HG2 VAL 7 3HG2 VAL 7 -0.809 -4.811 -2.712 61 H ARG 8 H ARG 8 -4.053 -7.532 -6.059 62 HA ARG 8 HA ARG 8 -4.997 -10.042 -4.770 63 1HB ARG 8 1HB ARG 8 -5.453 -8.868 -7.525 64 2HB ARG 8 2HB ARG 8 -6.023 -10.466 -7.041 65 1HG ARG 8 1HG ARG 8 -6.709 -8.441 -5.064 66 2HG ARG 8 2HG ARG 8 -7.368 -8.048 -6.653 67 1HD ARG 8 1HD ARG 8 -8.940 -9.450 -5.367 68 2HD ARG 8 2HD ARG 8 -8.367 -10.297 -6.803 69 HE ARG 8 HE ARG 8 -6.681 -10.930 -4.566 70 1HH1 ARG 8 1HH1 ARG 8 -9.978 -11.047 -4.435 71 2HH1 ARG 8 2HH1 ARG 8 -10.116 -12.770 -4.345 72 1HH2 ARG 8 1HH2 ARG 8 -6.775 -13.345 -5.073 73 2HH2 ARG 8 2HH2 ARG 8 -8.303 -14.071 -4.704 74 H LYS 9 H LYS 9 -4.414 -12.120 -5.843 75 HA LYS 9 HA LYS 9 -1.627 -12.421 -6.178 76 1HB LYS 9 1HB LYS 9 -2.239 -14.586 -7.380 77 2HB LYS 9 2HB LYS 9 -2.887 -14.400 -5.750 78 1HG LYS 9 1HG LYS 9 -5.059 -13.959 -6.523 79 2HG LYS 9 2HG LYS 9 -4.496 -13.492 -8.128 80 1HD LYS 9 1HD LYS 9 -4.028 -16.293 -7.152 81 2HD LYS 9 2HD LYS 9 -5.610 -15.845 -7.788 82 1HE LYS 9 1HE LYS 9 -4.774 -16.205 -9.851 83 2HE LYS 9 2HE LYS 9 -3.787 -14.762 -9.616 84 1HZ LYS 9 1HZ LYS 9 -2.956 -17.433 -8.646 85 2HZ LYS 9 2HZ LYS 9 -2.563 -16.866 -10.199 86 3HZ LYS 9 3HZ LYS 9 -2.003 -16.042 -8.822 87 H GLY 10 H GLY 10 -0.276 -12.247 -7.927 88 1HA GLY 10 1HA GLY 10 0.301 -12.038 -10.244 89 2HA GLY 10 2HA GLY 10 -1.413 -11.880 -10.630 90 H ASP 11 H ASP 11 -1.357 -9.841 -8.187 91 HA ASP 11 HA ASP 11 -1.041 -7.493 -9.893 92 1HB ASP 11 1HB ASP 11 -1.774 -7.868 -6.986 93 2HB ASP 11 2HB ASP 11 -1.579 -6.276 -7.714 94 H SER 12 H SER 12 0.570 -5.908 -9.681 95 HA SER 12 HA SER 12 2.889 -6.700 -7.966 96 1HB SER 12 1HB SER 12 2.771 -6.240 -10.774 97 2HB SER 12 2HB SER 12 3.670 -4.902 -10.063 98 HG SER 12 HG SER 12 4.806 -6.652 -8.867 99 H LEU 13 H LEU 13 3.646 -5.142 -6.588 100 HA LEU 13 HA LEU 13 2.106 -2.926 -5.771 101 1HB LEU 13 1HB LEU 13 5.022 -3.631 -5.541 102 2HB LEU 13 2HB LEU 13 4.431 -2.091 -4.925 103 HG LEU 13 HG LEU 13 4.467 -3.984 -3.225 104 1HD1 LEU 13 1HD1 LEU 13 2.281 -2.153 -3.884 105 2HD1 LEU 13 2HD1 LEU 13 1.764 -3.541 -2.918 106 3HD1 LEU 13 3HD1 LEU 13 3.048 -2.477 -2.328 107 1HD2 LEU 13 1HD2 LEU 13 3.677 -5.786 -4.737 108 2HD2 LEU 13 2HD2 LEU 13 2.618 -5.611 -3.336 109 3HD2 LEU 13 3HD2 LEU 13 2.125 -4.959 -4.897 110 H SER 14 H SER 14 5.025 -2.780 -7.847 111 HA SER 14 HA SER 14 4.724 -0.025 -8.468 112 1HB SER 14 1HB SER 14 5.988 -0.878 -10.664 113 2HB SER 14 2HB SER 14 6.805 -0.792 -9.106 114 HG SER 14 HG SER 14 6.069 -2.964 -10.610 115 H SER 15 H SER 15 3.547 -2.939 -10.171 116 HA SER 15 HA SER 15 2.376 -1.660 -12.408 117 1HB SER 15 1HB SER 15 1.920 -4.242 -10.993 118 2HB SER 15 2HB SER 15 0.698 -3.711 -12.143 119 HG SER 15 HG SER 15 2.484 -3.423 -13.641 120 H ILE 16 H ILE 16 1.021 -2.362 -9.243 121 HA ILE 16 HA ILE 16 -1.607 -1.368 -9.733 122 HB ILE 16 HB ILE 16 0.061 -1.647 -7.229 123 1HG1 ILE 16 1HG1 ILE 16 -2.484 -2.959 -7.184 124 2HG1 ILE 16 2HG1 ILE 16 -1.722 -3.311 -8.735 125 1HG2 ILE 16 1HG2 ILE 16 -2.312 0.007 -7.680 126 2HG2 ILE 16 2HG2 ILE 16 -2.546 -1.192 -6.412 127 3HG2 ILE 16 3HG2 ILE 16 -1.222 -0.033 -6.295 128 1HD1 ILE 16 1HD1 ILE 16 0.224 -3.476 -6.600 129 2HD1 ILE 16 2HD1 ILE 16 -1.155 -4.518 -6.252 130 3HD1 ILE 16 3HD1 ILE 16 -0.259 -4.715 -7.757 131 H ALA 17 H ALA 17 1.362 0.227 -8.536 132 HA ALA 17 HA ALA 17 0.331 2.821 -8.104 133 1HB ALA 17 2HB ALA 17 2.765 3.234 -9.423 134 2HB ALA 17 1HB ALA 17 2.938 1.654 -8.660 135 3HB ALA 17 3HB ALA 17 2.531 3.068 -7.683 136 H LYS 18 H LYS 18 1.539 1.340 -11.135 137 HA LYS 18 HA LYS 18 1.259 3.512 -12.881 138 1HB LYS 18 1HB LYS 18 2.210 1.448 -13.680 139 2HB LYS 18 2HB LYS 18 0.713 0.573 -13.365 140 1HG LYS 18 1HG LYS 18 -0.451 1.962 -15.049 141 2HG LYS 18 2HG LYS 18 1.057 2.815 -15.377 142 1HD LYS 18 1HD LYS 18 2.103 0.629 -15.998 143 2HD LYS 18 2HD LYS 18 0.527 -0.138 -15.800 144 1HE LYS 18 1HE LYS 18 -0.212 0.632 -17.793 145 2HE LYS 18 2HE LYS 18 0.401 2.254 -17.479 146 1HZ LYS 18 1HZ LYS 18 2.659 0.815 -17.845 147 2HZ LYS 18 2HZ LYS 18 1.594 0.096 -18.960 148 3HZ LYS 18 3HZ LYS 18 1.902 1.763 -19.035 149 H ARG 19 H ARG 19 -1.279 1.327 -11.686 150 HA ARG 19 HA ARG 19 -3.411 2.165 -13.349 151 1HB ARG 19 1HB ARG 19 -3.101 0.720 -10.861 152 2HB ARG 19 2HB ARG 19 -4.492 1.800 -10.767 153 1HG ARG 19 1HG ARG 19 -5.584 0.764 -12.553 154 2HG ARG 19 2HG ARG 19 -4.085 0.108 -13.216 155 1HD ARG 19 2HD ARG 19 -3.953 -1.269 -11.029 156 2HD ARG 19 1HD ARG 19 -5.135 -1.770 -12.238 157 HE ARG 19 HE ARG 19 -6.512 0.007 -10.585 158 1HH1 ARG 19 1HH1 ARG 19 -5.996 -3.249 -10.893 159 2HH1 ARG 19 2HH1 ARG 19 -6.333 -3.661 -9.246 160 1HH2 ARG 19 1HH2 ARG 19 -6.404 -0.370 -8.156 161 2HH2 ARG 19 2HH2 ARG 19 -6.565 -2.031 -7.697 162 H HIS 20 H HIS 20 -1.929 3.746 -10.571 163 HA HIS 20 HA HIS 20 -3.861 6.003 -10.920 164 1HB HIS 20 2HB HIS 20 -4.072 6.146 -8.678 165 2HB HIS 20 1HB HIS 20 -2.333 6.086 -8.446 166 HD1 HIS 20 HD1 HIS 20 -5.393 3.971 -8.365 167 HD2 HIS 20 HD2 HIS 20 -1.276 3.413 -8.097 168 HE1 HIS 20 HE1 HIS 20 -5.017 1.637 -7.452 169 H GLY 21 H GLY 21 -0.941 5.244 -12.012 170 1HA GLY 21 1HA GLY 21 1.046 6.436 -12.458 171 2HA GLY 21 2HA GLY 21 -0.006 7.858 -12.473 172 H VAL 22 H VAL 22 1.043 5.592 -9.927 173 HA VAL 22 HA VAL 22 1.786 7.974 -8.286 174 HB VAL 22 HB VAL 22 1.354 6.114 -6.421 175 1HG1 VAL 22 1HG1 VAL 22 -0.617 7.894 -7.854 176 2HG1 VAL 22 2HG1 VAL 22 -1.057 7.002 -6.395 177 3HG1 VAL 22 3HG1 VAL 22 0.233 8.203 -6.340 178 1HG2 VAL 22 1HG2 VAL 22 0.746 4.513 -8.345 179 2HG2 VAL 22 2HG2 VAL 22 -0.344 4.583 -6.963 180 3HG2 VAL 22 3HG2 VAL 22 -0.755 5.433 -8.454 181 H ASN 23 H ASN 23 3.334 7.300 -6.422 182 HA ASN 23 HA ASN 23 5.537 5.706 -7.652 183 1HB ASN 23 1HB ASN 23 5.427 8.201 -6.176 184 2HB ASN 23 2HB ASN 23 6.533 7.061 -5.409 185 2HD2 ASN 23 2HD2 ASN 23 6.830 9.562 -7.343 186 1HD2 ASN 23 1HD2 ASN 23 7.978 9.011 -8.466 187 H ILE 24 H ILE 24 5.010 3.633 -6.955 188 HA ILE 24 HA ILE 24 4.015 2.888 -4.442 189 HB ILE 24 HB ILE 24 5.985 1.337 -6.145 190 1HG1 ILE 24 1HG1 ILE 24 3.988 2.134 -7.350 191 2HG1 ILE 24 2HG1 ILE 24 3.966 0.391 -7.138 192 1HG2 ILE 24 1HG2 ILE 24 4.303 0.723 -3.770 193 2HG2 ILE 24 2HG2 ILE 24 4.326 -0.478 -5.073 194 3HG2 ILE 24 3HG2 ILE 24 5.832 -0.001 -4.280 195 1HD1 ILE 24 1HD1 ILE 24 2.537 2.332 -5.280 196 2HD1 ILE 24 2HD1 ILE 24 1.757 1.473 -6.614 197 3HD1 ILE 24 3HD1 ILE 24 2.431 0.554 -5.266 198 H LYS 25 H LYS 25 7.217 4.005 -5.300 199 HA LYS 25 HA LYS 25 8.616 2.989 -3.008 200 1HB LYS 25 1HB LYS 25 10.176 4.885 -3.388 201 2HB LYS 25 2HB LYS 25 9.848 3.993 -4.870 202 1HG LYS 25 1HG LYS 25 8.099 5.696 -5.445 203 2HG LYS 25 2HG LYS 25 8.590 6.620 -4.026 204 1HD LYS 25 1HD LYS 25 10.998 6.361 -5.109 205 2HD LYS 25 2HD LYS 25 10.059 6.162 -6.590 206 1HE LYS 25 2HE LYS 25 8.851 8.321 -5.283 207 2HE LYS 25 1HE LYS 25 9.917 8.411 -6.685 208 1HZ LYS 25 1HZ LYS 25 11.812 8.471 -5.139 209 2HZ LYS 25 2HZ LYS 25 10.770 9.801 -4.950 210 3HZ LYS 25 3HZ LYS 25 10.730 8.520 -3.833 211 H ASP 26 H ASP 26 6.646 5.905 -3.599 212 HA ASP 26 HA ASP 26 7.026 7.068 -1.006 213 1HB ASP 26 1HB ASP 26 4.515 7.214 -2.691 214 2HB ASP 26 2HB ASP 26 4.999 8.333 -1.424 215 H VAL 27 H VAL 27 4.817 4.703 -2.370 216 HA VAL 27 HA VAL 27 3.182 4.304 -0.056 217 HB VAL 27 HB VAL 27 4.108 2.134 -1.955 218 1HG1 VAL 27 1HG1 VAL 27 2.272 2.287 0.284 219 2HG1 VAL 27 2HG1 VAL 27 1.422 1.832 -1.195 220 3HG1 VAL 27 3HG1 VAL 27 2.791 0.872 -0.635 221 1HG2 VAL 27 1HG2 VAL 27 3.171 4.268 -3.007 222 2HG2 VAL 27 2HG2 VAL 27 2.333 2.772 -3.418 223 3HG2 VAL 27 3HG2 VAL 27 1.649 3.870 -2.216 224 H MET 28 H MET 28 6.307 2.860 -1.000 225 HA MET 28 HA MET 28 6.526 1.292 1.446 226 1HB MET 28 1HB MET 28 8.741 2.179 -0.431 227 2HB MET 28 2HB MET 28 8.797 0.837 0.712 228 1HG MET 28 1HG MET 28 6.734 0.956 -1.491 229 2HG MET 28 2HG MET 28 8.327 0.247 -1.750 230 1HE MET 28 1HE MET 28 6.209 -1.076 -2.489 231 2HE MET 28 2HE MET 28 6.931 -2.622 -2.048 232 3HE MET 28 3HE MET 28 5.312 -2.202 -1.473 233 H ARG 29 H ARG 29 6.903 4.585 0.633 234 HA ARG 29 HA ARG 29 8.948 5.247 2.595 235 1HB ARG 29 1HB ARG 29 8.322 6.636 0.548 236 2HB ARG 29 2HB ARG 29 6.872 7.117 1.429 237 1HG ARG 29 1HG ARG 29 8.054 8.348 2.991 238 2HG ARG 29 2HG ARG 29 9.515 7.376 2.805 239 1HD ARG 29 1HD ARG 29 9.791 8.350 0.506 240 2HD ARG 29 2HD ARG 29 8.435 9.423 0.849 241 HE ARG 29 HE ARG 29 10.233 9.784 2.968 242 1HH1 ARG 29 1HH1 ARG 29 9.369 11.264 0.162 243 2HH1 ARG 29 2HH1 ARG 29 10.899 12.007 -0.163 244 1HH2 ARG 29 1HH2 ARG 29 12.586 10.228 2.289 245 2HH2 ARG 29 2HH2 ARG 29 12.720 11.421 1.043 246 H TRP 30 H TRP 30 5.361 5.397 2.525 247 HA TRP 30 HA TRP 30 5.322 6.355 5.311 248 1HB TRP 30 1HB TRP 30 2.965 5.281 3.747 249 2HB TRP 30 2HB TRP 30 2.938 6.383 5.125 250 HD1 TRP 30 HD1 TRP 30 4.379 8.785 4.615 251 HE1 TRP 30 HE1 TRP 30 4.255 10.232 2.483 252 HE3 TRP 30 HE3 TRP 30 2.486 5.361 1.365 253 HZ2 TRP 30 HZ2 TRP 30 3.450 9.958 -0.255 254 HZ3 TRP 30 HZ3 TRP 30 2.048 5.964 -0.988 255 HH2 TRP 30 HH2 TRP 30 2.525 8.256 -1.813 256 H ASN 31 H ASN 31 4.757 3.299 3.582 257 HA ASN 31 HA ASN 31 4.325 1.971 6.211 258 1HB ASN 31 1HB ASN 31 4.120 0.753 3.450 259 2HB ASN 31 2HB ASN 31 3.540 0.070 4.969 260 2HD2 ASN 31 2HD2 ASN 31 2.897 2.567 2.523 261 1HD2 ASN 31 1HD2 ASN 31 1.335 2.943 3.068 262 H SER 32 H SER 32 5.833 0.628 7.066 263 HA SER 32 HA SER 32 8.429 0.425 5.654 264 1HB SER 32 1HB SER 32 7.558 -0.068 8.496 265 2HB SER 32 2HB SER 32 9.127 -0.613 7.909 266 HG SER 32 HG SER 32 8.921 1.595 8.885 267 H ASP 33 H ASP 33 7.033 -1.920 7.851 268 HA ASP 33 HA ASP 33 7.788 -4.116 6.092 269 1HB ASP 33 1HB ASP 33 7.589 -4.088 8.714 270 2HB ASP 33 2HB ASP 33 5.883 -4.408 8.407 271 H THR 34 H THR 34 6.608 -4.181 4.204 272 HA THR 34 HA THR 34 3.751 -3.522 4.222 273 HB THR 34 HB THR 34 3.998 -4.231 1.752 274 HG1 THR 34 HG1 THR 34 5.823 -5.262 1.515 275 1HG2 THR 34 1HG2 THR 34 4.675 -1.873 3.184 276 2HG2 THR 34 2HG2 THR 34 5.880 -2.073 1.914 277 3HG2 THR 34 3HG2 THR 34 4.167 -2.005 1.502 278 H ALA 35 H ALA 35 4.102 -5.674 5.903 279 HA ALA 35 HA ALA 35 3.795 -8.217 4.594 280 1HB ALA 35 3HB ALA 35 4.422 -8.459 6.822 281 2HB ALA 35 2HB ALA 35 2.686 -8.754 6.930 282 3HB ALA 35 1HB ALA 35 3.342 -7.177 7.368 283 H ASN 36 H ASN 36 1.727 -5.544 4.869 284 HA ASN 36 HA ASN 36 -0.765 -7.077 4.869 285 1HB ASN 36 1HB ASN 36 -0.094 -4.147 4.560 286 2HB ASN 36 2HB ASN 36 -1.735 -4.758 4.344 287 2HD2 ASN 36 2HD2 ASN 36 0.607 -3.810 6.703 288 1HD2 ASN 36 1HD2 ASN 36 -0.262 -4.297 8.077 289 H LEU 37 H LEU 37 1.575 -6.712 2.549 290 HA LEU 37 HA LEU 37 -0.308 -6.203 0.322 291 1HB LEU 37 1HB LEU 37 2.676 -6.699 0.437 292 2HB LEU 37 2HB LEU 37 1.779 -6.656 -1.083 293 HG LEU 37 HG LEU 37 1.131 -4.389 -0.761 294 1HD1 LEU 37 1HD1 LEU 37 2.097 -4.824 2.062 295 2HD1 LEU 37 2HD1 LEU 37 1.960 -3.202 1.388 296 3HD1 LEU 37 3HD1 LEU 37 0.531 -4.226 1.517 297 1HD2 LEU 37 1HD2 LEU 37 4.008 -4.848 0.067 298 2HD2 LEU 37 2HD2 LEU 37 3.395 -4.573 -1.563 299 3HD2 LEU 37 3HD2 LEU 37 3.364 -3.266 -0.378 300 H GLN 38 H GLN 38 -1.471 -8.204 1.200 301 HA GLN 38 HA GLN 38 -0.278 -10.712 0.131 302 1HB GLN 38 2HB GLN 38 -1.434 -11.888 1.764 303 2HB GLN 38 1HB GLN 38 -2.740 -10.706 1.835 304 1HG GLN 38 1HG GLN 38 0.069 -10.258 2.890 305 2HG GLN 38 2HG GLN 38 -1.284 -9.135 3.026 306 2HE2 GLN 38 2HE2 GLN 38 -1.108 -12.703 3.567 307 1HE2 GLN 38 1HE2 GLN 38 -1.717 -12.636 5.149 308 HA PRO 39 HA PRO 39 -3.296 -10.757 -2.963 309 1HB PRO 39 1HB PRO 39 -4.138 -13.393 -2.987 310 2HB PRO 39 2HB PRO 39 -2.600 -12.834 -3.670 311 1HG PRO 39 2HG PRO 39 -1.680 -14.310 -2.133 312 2HG PRO 39 1HG PRO 39 -3.107 -14.257 -1.084 313 1HD PRO 39 1HD PRO 39 -1.854 -12.834 0.236 314 2HD PRO 39 2HD PRO 39 -0.689 -12.517 -1.068 315 H GLY 40 H GLY 40 -4.749 -9.391 -1.834 316 1HA GLY 40 1HA GLY 40 -7.295 -9.479 -1.699 317 2HA GLY 40 2HA GLY 40 -7.050 -10.765 -0.517 318 H ASP 41 H ASP 41 -4.659 -8.240 -0.378 319 HA ASP 41 HA ASP 41 -6.110 -7.135 2.010 320 1HB ASP 41 1HB ASP 41 -3.192 -7.636 1.467 321 2HB ASP 41 2HB ASP 41 -3.697 -6.467 2.684 322 H LYS 42 H LYS 42 -6.019 -4.828 2.309 323 HA LYS 42 HA LYS 42 -5.786 -3.362 -0.218 324 1HB LYS 42 1HB LYS 42 -6.869 -1.579 0.886 325 2HB LYS 42 2HB LYS 42 -7.587 -3.023 1.595 326 1HG LYS 42 1HG LYS 42 -5.385 -2.608 3.203 327 2HG LYS 42 2HG LYS 42 -5.917 -0.963 2.848 328 1HD LYS 42 1HD LYS 42 -7.995 -1.274 3.848 329 2HD LYS 42 2HD LYS 42 -7.956 -3.021 3.620 330 1HE LYS 42 1HE LYS 42 -5.727 -2.341 5.251 331 2HE LYS 42 2HE LYS 42 -7.132 -1.507 5.914 332 1HZ LYS 42 1HZ LYS 42 -7.723 -4.192 5.122 333 2HZ LYS 42 2HZ LYS 42 -6.499 -4.128 6.297 334 3HZ LYS 42 3HZ LYS 42 -8.005 -3.414 6.605 335 H LEU 43 H LEU 43 -4.516 -1.364 -0.382 336 HA LEU 43 HA LEU 43 -2.119 -1.287 1.378 337 1HB LEU 43 1HB LEU 43 -2.224 -2.166 -1.330 338 2HB LEU 43 2HB LEU 43 -1.390 -0.614 -1.302 339 HG LEU 43 HG LEU 43 -0.639 -3.190 0.048 340 1HD1 LEU 43 1HD1 LEU 43 0.682 -1.071 -1.639 341 2HD1 LEU 43 2HD1 LEU 43 1.626 -2.277 -0.764 342 3HD1 LEU 43 3HD1 LEU 43 0.471 -2.785 -1.995 343 1HD2 LEU 43 1HD2 LEU 43 -0.176 -0.400 1.053 344 2HD2 LEU 43 2HD2 LEU 43 -0.438 -1.884 1.968 345 3HD2 LEU 43 3HD2 LEU 43 1.125 -1.580 1.209 346 H THR 44 H THR 44 -1.465 0.783 1.866 347 HA THR 44 HA THR 44 -3.163 2.986 1.171 348 HB THR 44 HB THR 44 -0.701 2.596 2.794 349 HG1 THR 44 HG1 THR 44 -3.039 2.683 3.429 350 1HG2 THR 44 1HG2 THR 44 -1.562 5.273 1.658 351 2HG2 THR 44 2HG2 THR 44 -0.482 5.095 3.037 352 3HG2 THR 44 3HG2 THR 44 0.011 4.501 1.450 353 H LEU 45 H LEU 45 -3.072 4.070 -0.730 354 HA LEU 45 HA LEU 45 -0.441 4.199 -2.137 355 1HB LEU 45 1HB LEU 45 -3.265 4.081 -3.142 356 2HB LEU 45 2HB LEU 45 -2.076 4.977 -4.086 357 HG LEU 45 HG LEU 45 -1.473 2.181 -3.163 358 1HD1 LEU 45 1HD1 LEU 45 -3.057 3.065 -5.584 359 2HD1 LEU 45 2HD1 LEU 45 -2.371 1.451 -5.388 360 3HD1 LEU 45 3HD1 LEU 45 -3.622 2.018 -4.281 361 1HD2 LEU 45 1HD2 LEU 45 -0.611 3.993 -5.429 362 2HD2 LEU 45 2HD2 LEU 45 0.397 3.374 -4.118 363 3HD2 LEU 45 3HD2 LEU 45 -0.204 2.281 -5.371 364 H PHE 46 H PHE 46 -0.570 5.918 -0.113 365 HA PHE 46 HA PHE 46 -1.917 8.380 -0.402 366 1HB PHE 46 1HB PHE 46 0.592 7.475 0.894 367 2HB PHE 46 2HB PHE 46 0.511 9.197 0.536 368 HD1 PHE 46 HD1 PHE 46 -2.418 9.687 0.870 369 HD2 PHE 46 HD2 PHE 46 0.336 7.377 3.222 370 HE1 PHE 46 HE1 PHE 46 -3.841 10.027 2.873 371 HE2 PHE 46 HE2 PHE 46 -1.086 7.713 5.222 372 HZ PHE 46 HZ PHE 46 -3.176 9.040 5.049 373 H VAL 47 H VAL 47 0.637 6.959 -2.165 374 HA VAL 47 HA VAL 47 2.115 8.861 -3.387 375 HB VAL 47 HB VAL 47 1.742 7.397 -5.511 376 1HG1 VAL 47 1HG1 VAL 47 2.772 6.435 -2.854 377 2HG1 VAL 47 2HG1 VAL 47 2.885 5.422 -4.299 378 3HG1 VAL 47 3HG1 VAL 47 3.688 7.001 -4.248 379 1HG2 VAL 47 1HG2 VAL 47 -0.483 6.522 -4.771 380 2HG2 VAL 47 2HG2 VAL 47 0.689 5.228 -5.063 381 3HG2 VAL 47 3HG2 VAL 47 0.319 5.729 -3.416 382 H LYS 48 H LYS 48 1.851 10.423 -4.982 383 HA LYS 48 HA LYS 48 -0.974 10.988 -5.788 384 1HB LYS 48 1HB LYS 48 1.285 12.716 -4.924 385 2HB LYS 48 2HB LYS 48 0.294 13.336 -6.244 386 1HG LYS 48 1HG LYS 48 -1.688 13.263 -4.940 387 2HG LYS 48 2HG LYS 48 -0.938 12.237 -3.717 388 1HD LYS 48 1HD LYS 48 0.019 15.044 -4.320 389 2HD LYS 48 2HD LYS 48 -1.173 14.682 -3.070 390 1HE LYS 48 1HE LYS 48 0.862 12.843 -2.590 391 2HE LYS 48 2HE LYS 48 1.726 14.318 -3.026 392 1HZ LYS 48 1HZ LYS 48 -0.267 15.184 -1.389 393 2HZ LYS 48 2HZ LYS 48 0.211 13.725 -0.671 394 3HZ LYS 48 3HZ LYS 48 1.355 14.950 -0.943 No H/Q in entry = 394 Start of MODEL 8 1 H1 ASP 1 1H ASP 1 -5.837 12.681 -0.054 2 H2 ASP 1 2H ASP 1 -7.390 13.356 -0.209 3 H3 ASP 1 3H ASP 1 -6.492 13.612 1.207 4 HA ASP 1 HA ASP 1 -7.535 11.881 2.092 5 1HB ASP 1 2HB ASP 1 -9.243 12.182 0.268 6 2HB ASP 1 1HB ASP 1 -9.075 10.512 0.811 7 H SER 2 H SER 2 -7.400 9.387 2.125 8 HA SER 2 HA SER 2 -4.677 8.630 1.185 9 1HB SER 2 1HB SER 2 -4.582 7.109 2.975 10 2HB SER 2 2HB SER 2 -5.460 8.470 3.665 11 HG SER 2 HG SER 2 -6.295 6.115 3.761 12 H ILE 3 H ILE 3 -4.421 6.952 -0.253 13 HA ILE 3 HA ILE 3 -6.855 5.844 -1.446 14 HB ILE 3 HB ILE 3 -3.943 5.741 -2.244 15 1HG1 ILE 3 1HG1 ILE 3 -6.382 7.059 -3.474 16 2HG1 ILE 3 2HG1 ILE 3 -5.053 7.885 -2.657 17 1HG2 ILE 3 1HG2 ILE 3 -5.171 3.630 -2.833 18 2HG2 ILE 3 2HG2 ILE 3 -6.317 4.608 -3.750 19 3HG2 ILE 3 3HG2 ILE 3 -4.622 4.541 -4.240 20 1HD1 ILE 3 1HD1 ILE 3 -4.363 6.051 -4.916 21 2HD1 ILE 3 2HD1 ILE 3 -5.095 7.607 -5.315 22 3HD1 ILE 3 3HD1 ILE 3 -3.584 7.552 -4.408 23 H THR 4 H THR 4 -7.441 3.688 -1.216 24 HA THR 4 HA THR 4 -5.527 1.939 0.282 25 HB THR 4 HB THR 4 -8.552 1.880 0.494 26 HG1 THR 4 HG1 THR 4 -8.049 3.623 1.624 27 1HG2 THR 4 1HG2 THR 4 -7.407 -0.277 0.897 28 2HG2 THR 4 2HG2 THR 4 -6.368 0.504 2.089 29 3HG2 THR 4 3HG2 THR 4 -8.101 0.367 2.385 30 H TYR 5 H TYR 5 -4.848 0.393 -1.137 31 HA TYR 5 HA TYR 5 -6.876 -0.617 -3.082 32 1HB TYR 5 1HB TYR 5 -5.338 -0.600 -4.768 33 2HB TYR 5 2HB TYR 5 -4.683 0.706 -3.794 34 HD1 TYR 5 HD1 TYR 5 -4.334 -2.994 -4.418 35 HD2 TYR 5 HD2 TYR 5 -2.520 0.605 -2.927 36 HE1 TYR 5 HE1 TYR 5 -2.155 -4.120 -4.346 37 HE2 TYR 5 HE2 TYR 5 -0.335 -0.550 -2.829 38 HH TYR 5 HH TYR 5 0.009 -3.892 -4.002 39 H ARG 6 H ARG 6 -7.153 -2.792 -3.271 40 HA ARG 6 HA ARG 6 -5.834 -4.417 -1.196 41 1HB ARG 6 1HB ARG 6 -8.368 -4.535 -2.664 42 2HB ARG 6 2HB ARG 6 -7.556 -6.099 -2.570 43 1HG ARG 6 1HG ARG 6 -7.611 -6.136 -0.233 44 2HG ARG 6 2HG ARG 6 -7.775 -4.384 -0.112 45 1HD ARG 6 1HD ARG 6 -10.033 -4.470 -0.281 46 2HD ARG 6 2HD ARG 6 -9.976 -5.667 -1.575 47 HE ARG 6 HE ARG 6 -9.362 -6.653 1.143 48 1HH1 ARG 6 1HH1 ARG 6 -10.611 -7.685 -1.675 49 2HH1 ARG 6 2HH1 ARG 6 -12.105 -8.302 -1.051 50 1HH2 ARG 6 1HH2 ARG 6 -11.718 -6.831 2.065 51 2HH2 ARG 6 2HH2 ARG 6 -12.730 -7.820 1.068 52 H VAL 7 H VAL 7 -4.114 -5.537 -1.651 53 HA VAL 7 HA VAL 7 -3.127 -5.834 -4.364 54 HB VAL 7 HB VAL 7 -2.124 -7.229 -1.877 55 1HG1 VAL 7 1HG1 VAL 7 -1.188 -6.854 -4.596 56 2HG1 VAL 7 2HG1 VAL 7 -0.041 -6.159 -3.439 57 3HG1 VAL 7 3HG1 VAL 7 -0.517 -7.860 -3.311 58 1HG2 VAL 7 1HG2 VAL 7 -2.487 -4.415 -2.310 59 2HG2 VAL 7 2HG2 VAL 7 -1.706 -5.227 -0.940 60 3HG2 VAL 7 3HG2 VAL 7 -0.741 -4.779 -2.354 61 H ARG 8 H ARG 8 -4.112 -7.323 -5.662 62 HA ARG 8 HA ARG 8 -5.137 -9.832 -4.431 63 1HB ARG 8 2HB ARG 8 -6.464 -10.099 -6.398 64 2HB ARG 8 1HB ARG 8 -5.495 -8.931 -7.297 65 1HG ARG 8 1HG ARG 8 -6.396 -7.568 -4.997 66 2HG ARG 8 2HG ARG 8 -6.954 -7.336 -6.652 67 1HD ARG 8 1HD ARG 8 -8.214 -9.688 -5.723 68 2HD ARG 8 2HD ARG 8 -8.358 -8.507 -4.422 69 HE ARG 8 HE ARG 8 -9.635 -7.092 -5.896 70 1HH1 ARG 8 1HH1 ARG 8 -8.098 -7.825 -8.421 71 2HH1 ARG 8 2HH1 ARG 8 -9.311 -8.679 -9.318 72 1HH2 ARG 8 1HH2 ARG 8 -11.388 -9.135 -6.578 73 2HH2 ARG 8 2HH2 ARG 8 -11.175 -9.420 -8.273 74 H LYS 9 H LYS 9 -4.647 -11.906 -5.581 75 HA LYS 9 HA LYS 9 -1.877 -12.298 -5.951 76 1HB LYS 9 2HB LYS 9 -3.490 -14.152 -5.569 77 2HB LYS 9 1HB LYS 9 -2.444 -14.454 -6.957 78 1HG LYS 9 2HG LYS 9 -4.949 -13.011 -7.579 79 2HG LYS 9 1HG LYS 9 -5.167 -14.670 -7.022 80 1HD LYS 9 2HD LYS 9 -2.970 -14.473 -8.918 81 2HD LYS 9 1HD LYS 9 -4.469 -13.857 -9.613 82 1HE LYS 9 2HE LYS 9 -5.063 -16.244 -8.141 83 2HE LYS 9 1HE LYS 9 -3.703 -16.576 -9.216 84 1HZ LYS 9 1HZ LYS 9 -5.958 -15.063 -10.298 85 2HZ LYS 9 2HZ LYS 9 -4.937 -16.185 -11.062 86 3HZ LYS 9 3HZ LYS 9 -6.183 -16.724 -10.039 87 H GLY 10 H GLY 10 -0.539 -12.185 -7.737 88 1HA GLY 10 1HA GLY 10 0.024 -11.888 -10.041 89 2HA GLY 10 2HA GLY 10 -1.689 -11.664 -10.403 90 H ASP 11 H ASP 11 -1.524 -9.709 -7.890 91 HA ASP 11 HA ASP 11 -1.110 -7.320 -9.537 92 1HB ASP 11 1HB ASP 11 -1.933 -7.727 -6.653 93 2HB ASP 11 2HB ASP 11 -1.715 -6.137 -7.376 94 H SER 12 H SER 12 0.424 -5.648 -8.954 95 HA SER 12 HA SER 12 2.692 -6.633 -7.276 96 1HB SER 12 1HB SER 12 2.665 -5.757 -10.085 97 2HB SER 12 2HB SER 12 3.886 -4.957 -9.101 98 HG SER 12 HG SER 12 4.410 -7.080 -10.118 99 H LEU 13 H LEU 13 3.739 -5.020 -6.060 100 HA LEU 13 HA LEU 13 2.187 -2.814 -5.115 101 1HB LEU 13 1HB LEU 13 5.102 -3.566 -4.970 102 2HB LEU 13 2HB LEU 13 4.540 -2.032 -4.315 103 HG LEU 13 HG LEU 13 4.591 -3.859 -2.603 104 1HD1 LEU 13 1HD1 LEU 13 2.381 -2.126 -3.278 105 2HD1 LEU 13 2HD1 LEU 13 1.797 -3.595 -2.481 106 3HD1 LEU 13 3HD1 LEU 13 3.000 -2.572 -1.686 107 1HD2 LEU 13 1HD2 LEU 13 3.820 -5.613 -4.379 108 2HD2 LEU 13 2HD2 LEU 13 3.202 -5.754 -2.736 109 3HD2 LEU 13 3HD2 LEU 13 2.190 -5.044 -3.995 110 H SER 14 H SER 14 5.082 -2.713 -7.222 111 HA SER 14 HA SER 14 4.782 0.046 -7.858 112 1HB SER 14 1HB SER 14 6.890 -0.843 -8.385 113 2HB SER 14 2HB SER 14 6.200 -2.264 -9.168 114 HG SER 14 HG SER 14 6.117 0.422 -10.098 115 H SER 15 H SER 15 3.670 -2.891 -9.574 116 HA SER 15 HA SER 15 2.521 -1.629 -11.829 117 1HB SER 15 1HB SER 15 2.806 -4.108 -11.529 118 2HB SER 15 2HB SER 15 1.439 -4.078 -10.419 119 HG SER 15 HG SER 15 0.210 -4.120 -12.110 120 H ILE 16 H ILE 16 1.153 -2.305 -8.671 121 HA ILE 16 HA ILE 16 -1.488 -1.340 -9.191 122 HB ILE 16 HB ILE 16 0.161 -1.859 -6.760 123 1HG1 ILE 16 2HG1 ILE 16 -2.075 -2.993 -8.163 124 2HG1 ILE 16 1HG1 ILE 16 -2.595 -2.565 -6.532 125 1HG2 ILE 16 1HG2 ILE 16 -2.116 0.090 -6.924 126 2HG2 ILE 16 2HG2 ILE 16 -1.901 -0.882 -5.476 127 3HG2 ILE 16 3HG2 ILE 16 -0.621 0.210 -5.998 128 1HD1 ILE 16 1HD1 ILE 16 -0.198 -3.686 -5.969 129 2HD1 ILE 16 2HD1 ILE 16 -1.700 -4.606 -6.024 130 3HD1 ILE 16 3HD1 ILE 16 -0.622 -4.595 -7.419 131 H ALA 17 H ALA 17 1.456 0.281 -7.968 132 HA ALA 17 HA ALA 17 0.396 2.868 -7.544 133 1HB ALA 17 2HB ALA 17 2.829 3.305 -8.851 134 2HB ALA 17 1HB ALA 17 3.019 1.728 -8.090 135 3HB ALA 17 3HB ALA 17 2.592 3.135 -7.113 136 H LYS 18 H LYS 18 1.645 1.390 -10.559 137 HA LYS 18 HA LYS 18 1.325 3.554 -12.318 138 1HB LYS 18 1HB LYS 18 1.543 0.664 -12.547 139 2HB LYS 18 2HB LYS 18 0.462 1.321 -13.778 140 1HG LYS 18 1HG LYS 18 2.320 3.111 -14.129 141 2HG LYS 18 2HG LYS 18 3.361 1.964 -13.284 142 1HD LYS 18 1HD LYS 18 2.346 0.228 -14.980 143 2HD LYS 18 2HD LYS 18 1.980 1.667 -15.934 144 1HE LYS 18 1HE LYS 18 4.163 2.031 -16.446 145 2HE LYS 18 2HE LYS 18 4.709 1.620 -14.821 146 1HZ LYS 18 1HZ LYS 18 3.659 -0.613 -16.307 147 2HZ LYS 18 2HZ LYS 18 5.046 0.073 -17.002 148 3HZ LYS 18 3HZ LYS 18 5.089 -0.487 -15.398 149 H ARG 19 H ARG 19 -1.140 1.314 -11.096 150 HA ARG 19 HA ARG 19 -3.305 2.049 -12.764 151 1HB ARG 19 1HB ARG 19 -3.225 0.207 -10.996 152 2HB ARG 19 2HB ARG 19 -3.536 1.469 -9.803 153 1HG ARG 19 1HG ARG 19 -5.556 2.117 -11.250 154 2HG ARG 19 2HG ARG 19 -5.313 0.576 -12.076 155 1HD ARG 19 1HD ARG 19 -5.320 0.477 -9.108 156 2HD ARG 19 2HD ARG 19 -6.868 0.831 -9.876 157 HE ARG 19 HE ARG 19 -5.962 -1.341 -11.302 158 1HH1 ARG 19 1HH1 ARG 19 -4.552 -1.655 -8.495 159 2HH1 ARG 19 2HH1 ARG 19 -5.612 -2.825 -7.782 160 1HH2 ARG 19 1HH2 ARG 19 -8.104 -2.407 -10.158 161 2HH2 ARG 19 2HH2 ARG 19 -7.623 -3.252 -8.725 162 H HIS 20 H HIS 20 -1.868 3.716 -10.010 163 HA HIS 20 HA HIS 20 -3.857 5.917 -10.397 164 1HB HIS 20 2HB HIS 20 -4.071 6.093 -8.157 165 2HB HIS 20 1HB HIS 20 -2.334 6.082 -7.925 166 HD1 HIS 20 HD1 HIS 20 -5.340 3.898 -7.788 167 HD2 HIS 20 HD2 HIS 20 -1.210 3.440 -7.541 168 HE1 HIS 20 HE1 HIS 20 -4.903 1.591 -6.834 169 H GLY 21 H GLY 21 -0.928 5.219 -11.487 170 1HA GLY 21 1HA GLY 21 1.021 6.453 -11.968 171 2HA GLY 21 2HA GLY 21 -0.060 7.851 -11.975 172 H VAL 22 H VAL 22 1.063 5.622 -9.426 173 HA VAL 22 HA VAL 22 1.804 8.032 -7.821 174 HB VAL 22 HB VAL 22 1.393 6.203 -5.924 175 1HG1 VAL 22 1HG1 VAL 22 -0.574 7.964 -7.375 176 2HG1 VAL 22 2HG1 VAL 22 -1.047 7.058 -5.936 177 3HG1 VAL 22 3HG1 VAL 22 0.241 8.262 -5.840 178 1HG2 VAL 22 1HG2 VAL 22 0.781 4.578 -7.844 179 2HG2 VAL 22 2HG2 VAL 22 -0.258 4.626 -6.424 180 3HG2 VAL 22 3HG2 VAL 22 -0.744 5.465 -7.899 181 H ASN 23 H ASN 23 3.378 7.389 -5.967 182 HA ASN 23 HA ASN 23 5.563 5.766 -7.194 183 1HB ASN 23 1HB ASN 23 5.474 8.255 -5.634 184 2HB ASN 23 2HB ASN 23 6.702 7.115 -5.085 185 2HD2 ASN 23 2HD2 ASN 23 7.756 5.976 -7.280 186 1HD2 ASN 23 1HD2 ASN 23 8.312 7.123 -8.401 187 H ILE 24 H ILE 24 5.052 3.709 -6.434 188 HA ILE 24 HA ILE 24 4.084 3.019 -3.899 189 HB ILE 24 HB ILE 24 6.058 1.435 -5.567 190 1HG1 ILE 24 1HG1 ILE 24 4.059 2.192 -6.792 191 2HG1 ILE 24 2HG1 ILE 24 4.039 0.455 -6.531 192 1HG2 ILE 24 1HG2 ILE 24 4.353 0.866 -3.191 193 2HG2 ILE 24 2HG2 ILE 24 4.430 -0.370 -4.457 194 3HG2 ILE 24 3HG2 ILE 24 5.909 0.166 -3.647 195 1HD1 ILE 24 1HD1 ILE 24 2.603 2.452 -4.735 196 2HD1 ILE 24 2HD1 ILE 24 1.827 1.541 -6.037 197 3HD1 ILE 24 3HD1 ILE 24 2.508 0.676 -4.657 198 H LYS 25 H LYS 25 7.271 4.148 -4.791 199 HA LYS 25 HA LYS 25 8.707 3.201 -2.492 200 1HB LYS 25 1HB LYS 25 10.190 4.159 -3.957 201 2HB LYS 25 2HB LYS 25 9.033 5.377 -4.485 202 1HG LYS 25 1HG LYS 25 9.353 6.660 -2.464 203 2HG LYS 25 2HG LYS 25 10.349 5.386 -1.761 204 1HD LYS 25 1HD LYS 25 11.495 6.014 -4.276 205 2HD LYS 25 2HD LYS 25 11.155 7.549 -3.478 206 1HE LYS 25 1HE LYS 25 12.215 5.740 -1.528 207 2HE LYS 25 2HE LYS 25 13.280 5.727 -2.934 208 1HZ LYS 25 1HZ LYS 25 12.284 8.278 -1.849 209 2HZ LYS 25 2HZ LYS 25 13.614 7.508 -1.127 210 3HZ LYS 25 3HZ LYS 25 13.688 7.975 -2.755 211 H ASP 26 H ASP 26 6.773 6.127 -3.153 212 HA ASP 26 HA ASP 26 7.104 7.328 -0.591 213 1HB ASP 26 2HB ASP 26 5.059 8.561 -1.041 214 2HB ASP 26 1HB ASP 26 4.593 7.406 -2.283 215 H VAL 27 H VAL 27 4.938 4.894 -1.890 216 HA VAL 27 HA VAL 27 3.316 4.530 0.446 217 HB VAL 27 HB VAL 27 4.235 2.341 -1.435 218 1HG1 VAL 27 1HG1 VAL 27 2.290 2.595 0.760 219 2HG1 VAL 27 2HG1 VAL 27 1.631 1.875 -0.711 220 3HG1 VAL 27 3HG1 VAL 27 3.033 1.148 0.075 221 1HG2 VAL 27 1HG2 VAL 27 3.272 4.433 -2.522 222 2HG2 VAL 27 2HG2 VAL 27 2.406 2.935 -2.866 223 3HG2 VAL 27 3HG2 VAL 27 1.770 4.074 -1.677 224 H MET 28 H MET 28 6.468 3.148 -0.509 225 HA MET 28 HA MET 28 6.727 1.593 1.945 226 1HB MET 28 2HB MET 28 8.990 1.171 1.215 227 2HB MET 28 1HB MET 28 8.947 2.545 0.111 228 1HG MET 28 1HG MET 28 6.917 0.351 -0.186 229 2HG MET 28 2HG MET 28 7.561 1.445 -1.410 230 1HE MET 28 1HE MET 28 9.856 1.728 -1.788 231 2HE MET 28 2HE MET 28 11.073 0.889 -0.829 232 3HE MET 28 3HE MET 28 10.751 0.387 -2.495 233 H ARG 29 H ARG 29 6.975 4.894 1.148 234 HA ARG 29 HA ARG 29 9.005 5.619 3.107 235 1HB ARG 29 1HB ARG 29 8.362 6.983 1.053 236 2HB ARG 29 2HB ARG 29 6.889 7.424 1.915 237 1HG ARG 29 1HG ARG 29 8.097 8.539 3.631 238 2HG ARG 29 2HG ARG 29 9.626 7.817 3.127 239 1HD ARG 29 1HD ARG 29 8.025 9.642 1.326 240 2HD ARG 29 2HD ARG 29 9.261 10.248 2.430 241 HE ARG 29 HE ARG 29 10.282 8.101 0.776 242 1HH1 ARG 29 1HH1 ARG 29 8.786 10.723 -0.477 243 2HH1 ARG 29 2HH1 ARG 29 10.198 11.498 -1.111 244 1HH2 ARG 29 1HH2 ARG 29 12.414 9.403 0.539 245 2HH2 ARG 29 2HH2 ARG 29 12.253 10.750 -0.538 246 H TRP 30 H TRP 30 5.415 5.718 3.004 247 HA TRP 30 HA TRP 30 5.340 6.659 5.796 248 1HB TRP 30 1HB TRP 30 3.008 5.548 4.227 249 2HB TRP 30 2HB TRP 30 2.965 6.663 5.592 250 HD1 TRP 30 HD1 TRP 30 4.338 9.087 5.071 251 HE1 TRP 30 HE1 TRP 30 4.217 10.507 2.920 252 HE3 TRP 30 HE3 TRP 30 2.579 5.583 1.832 253 HZ2 TRP 30 HZ2 TRP 30 3.465 10.181 0.173 254 HZ3 TRP 30 HZ3 TRP 30 2.166 6.148 -0.536 255 HH2 TRP 30 HH2 TRP 30 2.605 8.440 -1.377 256 H ASN 31 H ASN 31 4.875 3.605 4.053 257 HA ASN 31 HA ASN 31 4.292 2.233 6.610 258 1HB ASN 31 2HB ASN 31 3.969 0.237 5.218 259 2HB ASN 31 1HB ASN 31 4.512 1.130 3.795 260 2HD2 ASN 31 2HD2 ASN 31 3.087 2.892 3.006 261 1HD2 ASN 31 1HD2 ASN 31 1.450 2.936 3.446 262 H SER 32 H SER 32 5.765 0.958 7.651 263 HA SER 32 HA SER 32 8.520 0.922 6.526 264 1HB SER 32 1HB SER 32 7.761 1.756 8.972 265 2HB SER 32 2HB SER 32 8.014 0.049 9.322 266 HG SER 32 HG SER 32 10.106 0.262 8.436 267 H ASP 33 H ASP 33 5.865 -1.073 7.417 268 HA ASP 33 HA ASP 33 7.446 -3.471 6.630 269 1HB ASP 33 2HB ASP 33 6.557 -4.763 8.397 270 2HB ASP 33 1HB ASP 33 5.275 -3.597 8.721 271 H THR 34 H THR 34 6.532 -3.572 4.568 272 HA THR 34 HA THR 34 3.603 -3.378 4.291 273 HB THR 34 HB THR 34 4.067 -3.612 1.873 274 HG1 THR 34 HG1 THR 34 5.811 -4.877 1.732 275 1HG2 THR 34 1HG2 THR 34 4.191 -1.393 2.956 276 2HG2 THR 34 2HG2 THR 34 5.906 -1.654 3.277 277 3HG2 THR 34 3HG2 THR 34 5.330 -1.522 1.616 278 H ALA 35 H ALA 35 4.730 -5.629 5.825 279 HA ALA 35 HA ALA 35 4.672 -8.018 4.234 280 1HB ALA 35 1HB ALA 35 5.678 -7.899 6.509 281 2HB ALA 35 3HB ALA 35 4.489 -9.194 6.374 282 3HB ALA 35 2HB ALA 35 4.064 -7.687 7.186 283 H ASN 36 H ASN 36 2.213 -5.847 5.000 284 HA ASN 36 HA ASN 36 0.090 -7.858 5.230 285 1HB ASN 36 2HB ASN 36 -1.388 -6.028 5.532 286 2HB ASN 36 1HB ASN 36 -0.291 -4.904 4.729 287 2HD2 ASN 36 1HD2 ASN 36 0.359 -7.315 7.336 288 1HD2 ASN 36 2HD2 ASN 36 0.970 -6.177 8.438 289 H LEU 37 H LEU 37 1.955 -6.927 2.669 290 HA LEU 37 HA LEU 37 -0.169 -6.440 0.721 291 1HB LEU 37 1HB LEU 37 2.791 -7.015 0.484 292 2HB LEU 37 2HB LEU 37 1.741 -6.934 -0.934 293 HG LEU 37 HG LEU 37 1.372 -4.673 -0.714 294 1HD1 LEU 37 1HD1 LEU 37 1.952 -5.002 2.240 295 2HD1 LEU 37 2HD1 LEU 37 1.662 -3.449 1.467 296 3HD1 LEU 37 3HD1 LEU 37 0.390 -4.669 1.496 297 1HD2 LEU 37 1HD2 LEU 37 4.042 -5.149 0.627 298 2HD2 LEU 37 2HD2 LEU 37 3.746 -4.901 -1.091 299 3HD2 LEU 37 3HD2 LEU 37 3.503 -3.573 0.046 300 H GLN 38 H GLN 38 -1.406 -8.367 1.459 301 HA GLN 38 HA GLN 38 -0.396 -10.921 0.312 302 1HB GLN 38 1HB GLN 38 -2.491 -10.317 2.426 303 2HB GLN 38 2HB GLN 38 -2.248 -11.921 1.736 304 1HG GLN 38 1HG GLN 38 0.300 -10.853 2.518 305 2HG GLN 38 2HG GLN 38 -0.818 -10.722 3.876 306 2HE2 GLN 38 2HE2 GLN 38 -2.205 -12.857 4.187 307 1HE2 GLN 38 1HE2 GLN 38 -1.347 -14.314 4.036 308 HA PRO 39 HA PRO 39 -3.462 -10.662 -2.734 309 1HB PRO 39 1HB PRO 39 -4.443 -13.246 -2.849 310 2HB PRO 39 2HB PRO 39 -2.890 -12.740 -3.539 311 1HG PRO 39 2HG PRO 39 -2.019 -14.324 -2.086 312 2HG PRO 39 1HG PRO 39 -3.423 -14.245 -1.007 313 1HD PRO 39 1HD PRO 39 -2.076 -12.945 0.348 314 2HD PRO 39 2HD PRO 39 -0.918 -12.635 -0.963 315 H GLY 40 H GLY 40 -4.790 -9.269 -1.454 316 1HA GLY 40 1HA GLY 40 -7.344 -9.225 -1.289 317 2HA GLY 40 2HA GLY 40 -7.147 -10.578 -0.176 318 H ASP 41 H ASP 41 -4.621 -8.186 0.040 319 HA ASP 41 HA ASP 41 -5.944 -7.192 2.545 320 1HB ASP 41 1HB ASP 41 -3.282 -8.155 1.969 321 2HB ASP 41 2HB ASP 41 -3.215 -6.501 2.578 322 H LYS 42 H LYS 42 -5.794 -4.916 3.015 323 HA LYS 42 HA LYS 42 -5.830 -3.252 0.608 324 1HB LYS 42 1HB LYS 42 -6.525 -2.900 3.496 325 2HB LYS 42 2HB LYS 42 -6.198 -1.458 2.533 326 1HG LYS 42 2HG LYS 42 -7.824 -2.576 0.802 327 2HG LYS 42 1HG LYS 42 -8.494 -1.735 2.200 328 1HD LYS 42 2HD LYS 42 -7.893 -4.699 2.232 329 2HD LYS 42 1HD LYS 42 -9.453 -4.059 1.714 330 1HE LYS 42 1HE LYS 42 -8.703 -2.786 4.175 331 2HE LYS 42 2HE LYS 42 -10.087 -3.831 3.861 332 1HZ LYS 42 1HZ LYS 42 -8.192 -5.651 3.986 333 2HZ LYS 42 2HZ LYS 42 -7.479 -4.486 4.991 334 3HZ LYS 42 3HZ LYS 42 -9.015 -5.105 5.370 335 H LEU 43 H LEU 43 -4.523 -1.322 0.372 336 HA LEU 43 HA LEU 43 -2.012 -1.266 1.968 337 1HB LEU 43 1HB LEU 43 -2.311 -2.161 -0.744 338 2HB LEU 43 2HB LEU 43 -1.355 -0.681 -0.728 339 HG LEU 43 HG LEU 43 -0.807 -3.290 0.693 340 1HD1 LEU 43 1HD1 LEU 43 0.446 -1.600 -1.417 341 2HD1 LEU 43 2HD1 LEU 43 1.508 -2.541 -0.371 342 3HD1 LEU 43 3HD1 LEU 43 0.273 -3.351 -1.336 343 1HD2 LEU 43 1HD2 LEU 43 -0.094 -0.545 1.528 344 2HD2 LEU 43 2HD2 LEU 43 -0.092 -2.041 2.464 345 3HD2 LEU 43 3HD2 LEU 43 1.274 -1.655 1.414 346 H THR 44 H THR 44 -1.318 0.812 2.373 347 HA THR 44 HA THR 44 -3.021 3.018 1.694 348 HB THR 44 HB THR 44 -0.493 2.647 3.221 349 HG1 THR 44 HG1 THR 44 -1.920 2.954 4.702 350 1HG2 THR 44 1HG2 THR 44 -1.429 5.314 2.116 351 2HG2 THR 44 2HG2 THR 44 -0.257 5.138 3.420 352 3HG2 THR 44 3HG2 THR 44 0.129 4.539 1.804 353 H LEU 45 H LEU 45 -2.894 4.339 -0.055 354 HA LEU 45 HA LEU 45 -0.343 4.347 -1.611 355 1HB LEU 45 1HB LEU 45 -3.182 4.152 -2.556 356 2HB LEU 45 2HB LEU 45 -2.033 5.060 -3.540 357 HG LEU 45 HG LEU 45 -1.368 2.286 -2.587 358 1HD1 LEU 45 1HD1 LEU 45 -2.973 3.135 -5.006 359 2HD1 LEU 45 2HD1 LEU 45 -2.253 1.535 -4.815 360 3HD1 LEU 45 3HD1 LEU 45 -3.511 2.076 -3.701 361 1HD2 LEU 45 1HD2 LEU 45 -0.532 4.093 -4.868 362 2HD2 LEU 45 2HD2 LEU 45 0.486 3.500 -3.550 363 3HD2 LEU 45 3HD2 LEU 45 -0.100 2.387 -4.794 364 H PHE 46 H PHE 46 -0.485 6.110 0.389 365 HA PHE 46 HA PHE 46 -1.879 8.542 0.024 366 1HB PHE 46 1HB PHE 46 0.669 7.748 1.347 367 2HB PHE 46 2HB PHE 46 0.453 9.463 1.016 368 HD1 PHE 46 HD1 PHE 46 -2.462 9.793 1.347 369 HD2 PHE 46 HD2 PHE 46 0.355 7.513 3.655 370 HE1 PHE 46 HE1 PHE 46 -3.934 9.981 3.333 371 HE2 PHE 46 HE2 PHE 46 -1.120 7.697 5.638 372 HZ PHE 46 HZ PHE 46 -3.263 8.933 5.477 373 H VAL 47 H VAL 47 0.703 7.116 -1.688 374 HA VAL 47 HA VAL 47 2.199 8.986 -2.916 375 HB VAL 47 HB VAL 47 1.773 7.528 -5.052 376 1HG1 VAL 47 1HG1 VAL 47 2.875 6.603 -2.412 377 2HG1 VAL 47 2HG1 VAL 47 2.948 5.563 -3.842 378 3HG1 VAL 47 3HG1 VAL 47 3.752 7.143 -3.844 379 1HG2 VAL 47 1HG2 VAL 47 -0.425 6.638 -4.272 380 2HG2 VAL 47 2HG2 VAL 47 0.754 5.347 -4.546 381 3HG2 VAL 47 3HG2 VAL 47 0.393 5.884 -2.908 382 H LYS 48 H LYS 48 1.948 10.643 -4.371 383 HA LYS 48 HA LYS 48 -0.852 11.297 -5.168 384 1HB LYS 48 1HB LYS 48 1.557 12.903 -4.469 385 2HB LYS 48 2HB LYS 48 0.495 13.564 -5.712 386 1HG LYS 48 1HG LYS 48 -0.932 12.479 -3.376 387 2HG LYS 48 2HG LYS 48 0.102 13.860 -3.008 388 1HD LYS 48 2HD LYS 48 -1.109 14.639 -5.362 389 2HD LYS 48 1HD LYS 48 -1.626 15.127 -3.748 390 1HE LYS 48 1HE LYS 48 -2.588 12.571 -5.050 391 2HE LYS 48 2HE LYS 48 -3.271 13.401 -3.651 392 1HZ LYS 48 1HZ LYS 48 -3.832 15.268 -5.098 393 2HZ LYS 48 2HZ LYS 48 -3.221 14.422 -6.440 394 3HZ LYS 48 3HZ LYS 48 -4.584 13.836 -5.612 No H/Q in entry = 394 Start of MODEL 9 1 H1 ASP 1 1H ASP 1 -8.264 11.306 -0.693 2 H2 ASP 1 2H ASP 1 -9.496 10.783 0.347 3 H3 ASP 1 3H ASP 1 -9.351 12.432 -0.033 4 HA ASP 1 HA ASP 1 -7.515 12.742 1.296 5 1HB ASP 1 1HB ASP 1 -9.399 10.713 2.485 6 2HB ASP 1 2HB ASP 1 -8.024 11.308 3.415 7 H SER 2 H SER 2 -7.935 9.257 1.911 8 HA SER 2 HA SER 2 -5.048 8.910 1.206 9 1HB SER 2 1HB SER 2 -4.790 7.404 2.999 10 2HB SER 2 2HB SER 2 -5.806 8.669 3.684 11 HG SER 2 HG SER 2 -6.373 6.037 3.099 12 H ILE 3 H ILE 3 -4.558 7.157 -0.126 13 HA ILE 3 HA ILE 3 -6.853 5.870 -1.406 14 HB ILE 3 HB ILE 3 -3.904 5.822 -2.067 15 1HG1 ILE 3 1HG1 ILE 3 -6.270 7.188 -3.386 16 2HG1 ILE 3 2HG1 ILE 3 -4.982 7.990 -2.486 17 1HG2 ILE 3 1HG2 ILE 3 -5.075 3.737 -2.744 18 2HG2 ILE 3 2HG2 ILE 3 -6.261 4.708 -3.618 19 3HG2 ILE 3 3HG2 ILE 3 -4.575 4.694 -4.139 20 1HD1 ILE 3 1HD1 ILE 3 -4.234 6.198 -4.773 21 2HD1 ILE 3 2HD1 ILE 3 -4.855 7.813 -5.126 22 3HD1 ILE 3 3HD1 ILE 3 -3.401 7.623 -4.147 23 H THR 4 H THR 4 -7.358 3.729 -1.118 24 HA THR 4 HA THR 4 -5.427 2.064 0.450 25 HB THR 4 HB THR 4 -8.456 2.049 0.648 26 HG1 THR 4 HG1 THR 4 -8.013 2.845 2.747 27 1HG2 THR 4 1HG2 THR 4 -6.803 -0.069 1.046 28 2HG2 THR 4 2HG2 THR 4 -6.750 0.674 2.644 29 3HG2 THR 4 3HG2 THR 4 -8.296 0.181 1.953 30 H TYR 5 H TYR 5 -4.710 0.500 -0.940 31 HA TYR 5 HA TYR 5 -6.708 -0.568 -2.886 32 1HB TYR 5 1HB TYR 5 -5.151 -0.559 -4.550 33 2HB TYR 5 2HB TYR 5 -4.495 0.749 -3.579 34 HD1 TYR 5 HD1 TYR 5 -4.190 -2.981 -4.085 35 HD2 TYR 5 HD2 TYR 5 -2.318 0.660 -2.779 36 HE1 TYR 5 HE1 TYR 5 -2.025 -4.130 -3.984 37 HE2 TYR 5 HE2 TYR 5 -0.146 -0.516 -2.650 38 HH TYR 5 HH TYR 5 0.156 -3.900 -3.697 39 H ARG 6 H ARG 6 -7.025 -2.733 -2.972 40 HA ARG 6 HA ARG 6 -5.701 -4.316 -0.876 41 1HB ARG 6 2HB ARG 6 -8.193 -4.457 -1.277 42 2HB ARG 6 1HB ARG 6 -7.365 -6.013 -1.323 43 1HG ARG 6 1HG ARG 6 -7.846 -4.400 -3.831 44 2HG ARG 6 2HG ARG 6 -7.467 -6.116 -3.691 45 1HD ARG 6 1HD ARG 6 -9.658 -6.604 -3.610 46 2HD ARG 6 2HD ARG 6 -9.833 -5.602 -2.170 47 HE ARG 6 HE ARG 6 -9.785 -3.841 -4.371 48 1HH1 ARG 6 1HH1 ARG 6 -12.010 -4.318 -2.279 49 2HH1 ARG 6 2HH1 ARG 6 -13.343 -4.685 -3.322 50 1HH2 ARG 6 1HH2 ARG 6 -11.355 -5.235 -6.109 51 2HH2 ARG 6 2HH2 ARG 6 -12.973 -5.204 -5.491 52 H VAL 7 H VAL 7 -4.042 -5.584 -1.259 53 HA VAL 7 HA VAL 7 -2.975 -5.820 -3.969 54 HB VAL 7 HB VAL 7 -1.980 -7.174 -1.455 55 1HG1 VAL 7 1HG1 VAL 7 -1.022 -6.828 -4.171 56 2HG1 VAL 7 2HG1 VAL 7 0.105 -6.095 -3.015 57 3HG1 VAL 7 3HG1 VAL 7 -0.345 -7.801 -2.862 58 1HG2 VAL 7 1HG2 VAL 7 -2.360 -4.365 -1.946 59 2HG2 VAL 7 2HG2 VAL 7 -1.604 -5.148 -0.545 60 3HG2 VAL 7 3HG2 VAL 7 -0.613 -4.722 -1.947 61 H ARG 8 H ARG 8 -3.923 -7.325 -5.267 62 HA ARG 8 HA ARG 8 -4.920 -9.847 -4.045 63 1HB ARG 8 1HB ARG 8 -5.691 -8.198 -6.323 64 2HB ARG 8 2HB ARG 8 -5.503 -9.893 -6.778 65 1HG ARG 8 1HG ARG 8 -7.071 -9.031 -4.339 66 2HG ARG 8 2HG ARG 8 -7.815 -9.221 -5.926 67 1HD ARG 8 1HD ARG 8 -6.324 -11.551 -5.615 68 2HD ARG 8 2HD ARG 8 -6.997 -11.266 -4.010 69 HE ARG 8 HE ARG 8 -9.178 -10.912 -5.634 70 1HH1 ARG 8 1HH1 ARG 8 -8.199 -13.427 -3.956 71 2HH1 ARG 8 2HH1 ARG 8 -8.573 -14.672 -5.100 72 1HH2 ARG 8 1HH2 ARG 8 -9.039 -12.473 -7.742 73 2HH2 ARG 8 2HH2 ARG 8 -9.050 -14.132 -7.245 74 H LYS 9 H LYS 9 -4.379 -11.912 -5.184 75 HA LYS 9 HA LYS 9 -1.599 -12.262 -5.519 76 1HB LYS 9 1HB LYS 9 -2.189 -14.397 -6.686 77 2HB LYS 9 2HB LYS 9 -3.037 -14.187 -5.154 78 1HG LYS 9 1HG LYS 9 -4.936 -14.573 -6.323 79 2HG LYS 9 2HG LYS 9 -4.722 -12.953 -6.986 80 1HD LYS 9 1HD LYS 9 -4.301 -13.790 -9.031 81 2HD LYS 9 2HD LYS 9 -3.023 -14.821 -8.388 82 1HE LYS 9 1HE LYS 9 -5.692 -15.777 -7.675 83 2HE LYS 9 2HE LYS 9 -5.446 -15.702 -9.419 84 1HZ LYS 9 1HZ LYS 9 -3.338 -16.848 -7.728 85 2HZ LYS 9 2HZ LYS 9 -4.709 -17.787 -8.078 86 3HZ LYS 9 3HZ LYS 9 -3.736 -17.198 -9.339 87 H GLY 10 H GLY 10 -0.240 -12.067 -7.264 88 1HA GLY 10 1HA GLY 10 0.349 -11.788 -9.571 89 2HA GLY 10 2HA GLY 10 -1.361 -11.585 -9.954 90 H ASP 11 H ASP 11 -1.352 -9.616 -7.493 91 HA ASP 11 HA ASP 11 -0.909 -7.231 -9.118 92 1HB ASP 11 1HB ASP 11 -1.792 -7.663 -6.259 93 2HB ASP 11 2HB ASP 11 -1.545 -6.059 -6.944 94 H SER 12 H SER 12 0.783 -5.777 -8.904 95 HA SER 12 HA SER 12 2.963 -6.604 -7.027 96 1HB SER 12 1HB SER 12 3.191 -5.119 -9.662 97 2HB SER 12 2HB SER 12 4.533 -5.570 -8.616 98 HG SER 12 HG SER 12 2.784 -7.218 -10.104 99 H LEU 13 H LEU 13 3.810 -5.025 -5.702 100 HA LEU 13 HA LEU 13 2.282 -2.802 -4.869 101 1HB LEU 13 1HB LEU 13 5.205 -3.500 -4.684 102 2HB LEU 13 2HB LEU 13 4.608 -1.971 -4.047 103 HG LEU 13 HG LEU 13 4.684 -3.851 -2.349 104 1HD1 LEU 13 1HD1 LEU 13 2.495 -2.048 -2.977 105 2HD1 LEU 13 2HD1 LEU 13 1.932 -3.484 -2.113 106 3HD1 LEU 13 3HD1 LEU 13 3.191 -2.461 -1.409 107 1HD2 LEU 13 1HD2 LEU 13 3.913 -5.642 -3.948 108 2HD2 LEU 13 2HD2 LEU 13 2.988 -5.585 -2.447 109 3HD2 LEU 13 3HD2 LEU 13 2.309 -4.901 -3.922 110 H SER 14 H SER 14 5.194 -2.655 -6.957 111 HA SER 14 HA SER 14 4.871 0.092 -7.600 112 1HB SER 14 1HB SER 14 6.290 -2.209 -8.913 113 2HB SER 14 2HB SER 14 6.187 -0.661 -9.746 114 HG SER 14 HG SER 14 7.441 0.230 -8.267 115 H SER 15 H SER 15 3.714 -2.844 -9.285 116 HA SER 15 HA SER 15 2.551 -1.599 -11.541 117 1HB SER 15 1HB SER 15 2.730 -4.006 -11.463 118 2HB SER 15 2HB SER 15 1.711 -4.076 -10.030 119 HG SER 15 HG SER 15 -0.013 -3.787 -11.235 120 H ILE 16 H ILE 16 1.136 -2.303 -8.399 121 HA ILE 16 HA ILE 16 -1.466 -1.279 -8.908 122 HB ILE 16 HB ILE 16 0.179 -1.579 -6.395 123 1HG1 ILE 16 2HG1 ILE 16 -1.672 -3.183 -7.901 124 2HG1 ILE 16 1HG1 ILE 16 -2.388 -2.826 -6.329 125 1HG2 ILE 16 1HG2 ILE 16 -2.194 0.096 -6.852 126 2HG2 ILE 16 2HG2 ILE 16 -2.376 -1.054 -5.535 127 3HG2 ILE 16 3HG2 ILE 16 -1.054 0.111 -5.509 128 1HD1 ILE 16 1HD1 ILE 16 0.303 -3.420 -5.789 129 2HD1 ILE 16 2HD1 ILE 16 -1.091 -4.450 -5.463 130 3HD1 ILE 16 3HD1 ILE 16 -0.205 -4.619 -6.978 131 H ALA 17 H ALA 17 1.479 0.321 -7.647 132 HA ALA 17 HA ALA 17 0.451 2.916 -7.242 133 1HB ALA 17 2HB ALA 17 2.891 3.341 -8.528 134 2HB ALA 17 1HB ALA 17 3.064 1.750 -7.791 135 3HB ALA 17 3HB ALA 17 2.647 3.145 -6.793 136 H LYS 18 H LYS 18 1.701 1.442 -10.258 137 HA LYS 18 HA LYS 18 1.441 3.610 -12.009 138 1HB LYS 18 1HB LYS 18 2.271 1.206 -12.476 139 2HB LYS 18 2HB LYS 18 0.581 0.834 -12.819 140 1HG LYS 18 1HG LYS 18 0.499 2.524 -14.555 141 2HG LYS 18 2HG LYS 18 2.118 3.088 -14.140 142 1HD LYS 18 1HD LYS 18 2.658 0.478 -14.569 143 2HD LYS 18 2HD LYS 18 1.287 0.674 -15.661 144 1HE LYS 18 1HE LYS 18 2.645 2.912 -16.287 145 2HE LYS 18 2HE LYS 18 3.998 1.898 -15.783 146 1HZ LYS 18 1HZ LYS 18 1.944 1.159 -17.798 147 2HZ LYS 18 2HZ LYS 18 3.531 1.657 -18.144 148 3HZ LYS 18 3HZ LYS 18 3.262 0.198 -17.324 149 H ARG 19 H ARG 19 -1.105 1.429 -10.838 150 HA ARG 19 HA ARG 19 -3.220 2.258 -12.527 151 1HB ARG 19 1HB ARG 19 -3.241 0.381 -10.803 152 2HB ARG 19 2HB ARG 19 -3.514 1.624 -9.582 153 1HG ARG 19 1HG ARG 19 -5.707 1.130 -10.071 154 2HG ARG 19 2HG ARG 19 -5.426 2.350 -11.312 155 1HD ARG 19 1HD ARG 19 -5.445 0.821 -13.007 156 2HD ARG 19 2HD ARG 19 -4.644 -0.415 -12.039 157 HE ARG 19 HE ARG 19 -6.962 -0.617 -10.877 158 1HH1 ARG 19 1HH1 ARG 19 -7.568 1.450 -13.305 159 2HH1 ARG 19 2HH1 ARG 19 -8.603 0.418 -14.234 160 1HH2 ARG 19 1HH2 ARG 19 -7.818 -2.439 -12.429 161 2HH2 ARG 19 2HH2 ARG 19 -8.745 -1.784 -13.738 162 H HIS 20 H HIS 20 -1.793 3.830 -9.710 163 HA HIS 20 HA HIS 20 -3.733 6.077 -10.067 164 1HB HIS 20 2HB HIS 20 -3.917 6.231 -7.822 165 2HB HIS 20 1HB HIS 20 -2.177 6.178 -7.611 166 HD1 HIS 20 HD1 HIS 20 -5.227 4.055 -7.484 167 HD2 HIS 20 HD2 HIS 20 -1.106 3.509 -7.277 168 HE1 HIS 20 HE1 HIS 20 -4.833 1.720 -6.578 169 H GLY 21 H GLY 21 -0.811 5.340 -11.177 170 1HA GLY 21 1HA GLY 21 1.148 6.555 -11.667 171 2HA GLY 21 2HA GLY 21 0.084 7.967 -11.658 172 H VAL 22 H VAL 22 1.186 5.704 -9.131 173 HA VAL 22 HA VAL 22 1.962 8.091 -7.512 174 HB VAL 22 HB VAL 22 1.540 6.270 -5.623 175 1HG1 VAL 22 1HG1 VAL 22 -0.250 8.182 -7.047 176 2HG1 VAL 22 2HG1 VAL 22 -0.985 7.113 -5.850 177 3HG1 VAL 22 3HG1 VAL 22 0.318 8.203 -5.379 178 1HG2 VAL 22 1HG2 VAL 22 0.921 4.645 -7.551 179 2HG2 VAL 22 2HG2 VAL 22 -0.103 4.687 -6.119 180 3HG2 VAL 22 3HG2 VAL 22 -0.607 5.528 -7.587 181 H ASN 23 H ASN 23 3.525 7.411 -5.662 182 HA ASN 23 HA ASN 23 5.699 5.792 -6.914 183 1HB ASN 23 1HB ASN 23 6.116 7.601 -4.556 184 2HB ASN 23 2HB ASN 23 7.257 7.141 -5.818 185 2HD2 ASN 23 2HD2 ASN 23 7.375 8.468 -7.680 186 1HD2 ASN 23 1HD2 ASN 23 6.382 9.821 -7.936 187 H ILE 24 H ILE 24 5.195 3.723 -6.180 188 HA ILE 24 HA ILE 24 4.231 3.032 -3.633 189 HB ILE 24 HB ILE 24 6.157 1.432 -5.342 190 1HG1 ILE 24 1HG1 ILE 24 4.140 2.216 -6.522 191 2HG1 ILE 24 2HG1 ILE 24 4.113 0.477 -6.274 192 1HG2 ILE 24 1HG2 ILE 24 4.518 0.878 -2.921 193 2HG2 ILE 24 2HG2 ILE 24 4.513 -0.350 -4.197 194 3HG2 ILE 24 3HG2 ILE 24 6.036 0.137 -3.443 195 1HD1 ILE 24 1HD1 ILE 24 2.728 2.463 -4.429 196 2HD1 ILE 24 2HD1 ILE 24 1.920 1.575 -5.728 197 3HD1 ILE 24 3HD1 ILE 24 2.618 0.686 -4.374 198 H LYS 25 H LYS 25 7.404 4.144 -4.577 199 HA LYS 25 HA LYS 25 8.866 3.168 -2.310 200 1HB LYS 25 1HB LYS 25 10.422 5.024 -2.759 201 2HB LYS 25 2HB LYS 25 9.999 4.190 -4.253 202 1HG LYS 25 1HG LYS 25 8.102 5.996 -4.407 203 2HG LYS 25 2HG LYS 25 9.121 6.899 -3.286 204 1HD LYS 25 2HD LYS 25 11.040 6.370 -4.958 205 2HD LYS 25 1HD LYS 25 9.875 7.621 -5.395 206 1HE LYS 25 1HE LYS 25 10.180 4.841 -6.478 207 2HE LYS 25 2HE LYS 25 8.574 5.570 -6.458 208 1HZ LYS 25 1HZ LYS 25 10.842 7.124 -7.489 209 2HZ LYS 25 2HZ LYS 25 10.145 5.930 -8.476 210 3HZ LYS 25 3HZ LYS 25 9.198 7.217 -7.900 211 H ASP 26 H ASP 26 6.837 6.046 -2.879 212 HA ASP 26 HA ASP 26 7.264 7.232 -0.302 213 1HB ASP 26 1HB ASP 26 4.761 7.349 -2.003 214 2HB ASP 26 2HB ASP 26 5.165 8.438 -0.685 215 H VAL 27 H VAL 27 5.048 4.842 -1.616 216 HA VAL 27 HA VAL 27 3.475 4.434 0.741 217 HB VAL 27 HB VAL 27 4.362 2.281 -1.196 218 1HG1 VAL 27 1HG1 VAL 27 2.551 2.426 1.084 219 2HG1 VAL 27 2HG1 VAL 27 1.724 1.894 -0.382 220 3HG1 VAL 27 3HG1 VAL 27 3.131 1.010 0.207 221 1HG2 VAL 27 1HG2 VAL 27 3.354 4.433 -2.174 222 2HG2 VAL 27 2HG2 VAL 27 2.562 2.919 -2.610 223 3HG2 VAL 27 3HG2 VAL 27 1.861 3.959 -1.368 224 H MET 28 H MET 28 6.597 3.048 -0.282 225 HA MET 28 HA MET 28 6.901 1.470 2.151 226 1HB MET 28 2HB MET 28 9.077 0.938 1.331 227 2HB MET 28 1HB MET 28 9.132 2.386 0.326 228 1HG MET 28 1HG MET 28 6.846 0.613 -0.242 229 2HG MET 28 2HG MET 28 7.963 1.401 -1.355 230 1HE MET 28 1HE MET 28 10.025 0.822 -1.980 231 2HE MET 28 2HE MET 28 10.960 0.253 -0.599 232 3HE MET 28 3HE MET 28 10.760 -0.787 -2.006 233 H ARG 29 H ARG 29 7.201 4.769 1.342 234 HA ARG 29 HA ARG 29 9.288 5.448 3.257 235 1HB ARG 29 1HB ARG 29 8.641 6.851 1.244 236 2HB ARG 29 2HB ARG 29 7.163 7.275 2.104 237 1HG ARG 29 1HG ARG 29 8.833 7.901 4.049 238 2HG ARG 29 2HG ARG 29 9.995 8.028 2.728 239 1HD ARG 29 1HD ARG 29 7.378 9.321 2.237 240 2HD ARG 29 2HD ARG 29 8.364 10.067 3.494 241 HE ARG 29 HE ARG 29 9.630 9.510 0.864 242 1HH1 ARG 29 1HH1 ARG 29 11.426 11.137 1.988 243 2HH1 ARG 29 2HH1 ARG 29 10.858 12.767 1.858 244 1HH2 ARG 29 1HH2 ARG 29 7.573 11.854 1.226 245 2HH2 ARG 29 2HH2 ARG 29 8.675 13.173 1.427 246 H TRP 30 H TRP 30 5.707 5.527 3.249 247 HA TRP 30 HA TRP 30 5.665 6.493 6.027 248 1HB TRP 30 2HB TRP 30 3.269 6.375 5.866 249 2HB TRP 30 1HB TRP 30 3.358 5.315 4.458 250 HD1 TRP 30 HD1 TRP 30 4.648 8.843 5.420 251 HE1 TRP 30 HE1 TRP 30 4.444 10.351 3.336 252 HE3 TRP 30 HE3 TRP 30 2.794 5.469 2.094 253 HZ2 TRP 30 HZ2 TRP 30 3.600 10.140 0.606 254 HZ3 TRP 30 HZ3 TRP 30 2.297 6.133 -0.233 255 HH2 TRP 30 HH2 TRP 30 2.698 8.461 -0.989 256 H ASN 31 H ASN 31 5.138 3.407 4.327 257 HA ASN 31 HA ASN 31 4.806 2.068 6.956 258 1HB ASN 31 2HB ASN 31 4.209 0.094 5.692 259 2HB ASN 31 1HB ASN 31 4.699 0.863 4.181 260 2HD2 ASN 31 2HD2 ASN 31 3.289 2.561 3.308 261 1HD2 ASN 31 1HD2 ASN 31 1.710 2.783 3.891 262 H SER 32 H SER 32 6.400 0.854 7.848 263 HA SER 32 HA SER 32 8.985 0.736 6.390 264 1HB SER 32 1HB SER 32 8.667 1.618 8.845 265 2HB SER 32 2HB SER 32 8.646 -0.094 9.253 266 HG SER 32 HG SER 32 10.637 0.048 7.692 267 H ASP 33 H ASP 33 6.534 -1.245 7.846 268 HA ASP 33 HA ASP 33 7.900 -3.660 6.740 269 1HB ASP 33 1HB ASP 33 6.799 -3.127 9.395 270 2HB ASP 33 2HB ASP 33 6.092 -4.565 8.657 271 H THR 34 H THR 34 6.795 -3.799 4.793 272 HA THR 34 HA THR 34 3.883 -3.388 4.743 273 HB THR 34 HB THR 34 4.124 -3.824 2.314 274 HG1 THR 34 HG1 THR 34 6.888 -3.837 2.563 275 1HG2 THR 34 1HG2 THR 34 5.387 -1.716 3.844 276 2HG2 THR 34 2HG2 THR 34 6.241 -1.976 2.321 277 3HG2 THR 34 3HG2 THR 34 4.514 -1.610 2.313 278 H ALA 35 H ALA 35 4.659 -5.566 6.397 279 HA ALA 35 HA ALA 35 4.465 -8.077 5.008 280 1HB ALA 35 3HB ALA 35 4.800 -8.954 7.068 281 2HB ALA 35 1HB ALA 35 4.989 -7.289 7.618 282 3HB ALA 35 2HB ALA 35 3.419 -8.085 7.740 283 H ASN 36 H ASN 36 2.187 -5.637 5.537 284 HA ASN 36 HA ASN 36 -0.123 -7.423 5.761 285 1HB ASN 36 1HB ASN 36 0.377 -4.510 5.848 286 2HB ASN 36 2HB ASN 36 -1.153 -4.978 5.102 287 2HD2 ASN 36 2HD2 ASN 36 -2.180 -3.991 7.091 288 1HD2 ASN 36 1HD2 ASN 36 -2.268 -4.919 8.509 289 H LEU 37 H LEU 37 1.928 -6.763 3.240 290 HA LEU 37 HA LEU 37 -0.126 -6.311 1.193 291 1HB LEU 37 1HB LEU 37 2.844 -6.865 1.077 292 2HB LEU 37 2HB LEU 37 1.840 -6.845 -0.375 293 HG LEU 37 HG LEU 37 1.333 -4.575 -0.160 294 1HD1 LEU 37 1HD1 LEU 37 2.194 -4.860 2.726 295 2HD1 LEU 37 2HD1 LEU 37 1.921 -3.297 1.962 296 3HD1 LEU 37 3HD1 LEU 37 0.592 -4.447 2.115 297 1HD2 LEU 37 1HD2 LEU 37 4.143 -5.032 0.862 298 2HD2 LEU 37 2HD2 LEU 37 3.638 -4.776 -0.808 299 3HD2 LEU 37 3HD2 LEU 37 3.542 -3.452 0.355 300 H GLN 38 H GLN 38 -1.377 -8.212 1.950 301 HA GLN 38 HA GLN 38 -0.295 -10.799 0.951 302 1HB GLN 38 2HB GLN 38 -1.546 -11.882 2.574 303 2HB GLN 38 1HB GLN 38 -2.810 -10.650 2.565 304 1HG GLN 38 1HG GLN 38 -0.030 -10.270 3.723 305 2HG GLN 38 2HG GLN 38 -1.357 -9.109 3.788 306 2HE2 GLN 38 2HE2 GLN 38 -1.016 -12.638 4.523 307 1HE2 GLN 38 1HE2 GLN 38 -1.803 -12.542 6.024 308 HA PRO 39 HA PRO 39 -3.230 -10.701 -2.227 309 1HB PRO 39 1HB PRO 39 -4.189 -13.297 -2.270 310 2HB PRO 39 2HB PRO 39 -2.609 -12.813 -2.911 311 1HG PRO 39 2HG PRO 39 -1.797 -14.322 -1.348 312 2HG PRO 39 1HG PRO 39 -3.251 -14.206 -0.341 313 1HD PRO 39 1HD PRO 39 -1.980 -12.835 1.017 314 2HD PRO 39 2HD PRO 39 -0.759 -12.580 -0.249 315 H GLY 40 H GLY 40 -4.613 -9.266 -1.055 316 1HA GLY 40 1HA GLY 40 -7.166 -9.211 -0.989 317 2HA GLY 40 2HA GLY 40 -7.025 -10.542 0.157 318 H ASP 41 H ASP 41 -4.514 -8.134 0.406 319 HA ASP 41 HA ASP 41 -5.914 -7.092 2.848 320 1HB ASP 41 1HB ASP 41 -3.245 -8.086 2.391 321 2HB ASP 41 2HB ASP 41 -3.180 -6.409 2.936 322 H LYS 42 H LYS 42 -5.764 -4.798 3.265 323 HA LYS 42 HA LYS 42 -5.702 -3.210 0.805 324 1HB LYS 42 1HB LYS 42 -6.417 -2.675 3.677 325 2HB LYS 42 2HB LYS 42 -6.203 -1.338 2.547 326 1HG LYS 42 2HG LYS 42 -7.767 -3.035 1.075 327 2HG LYS 42 1HG LYS 42 -8.394 -1.702 2.045 328 1HD LYS 42 2HD LYS 42 -7.897 -4.392 3.305 329 2HD LYS 42 1HD LYS 42 -9.384 -4.095 2.402 330 1HE LYS 42 1HE LYS 42 -8.469 -2.158 4.521 331 2HE LYS 42 2HE LYS 42 -10.095 -2.419 3.890 332 1HZ LYS 42 1HZ LYS 42 -9.647 -4.811 4.854 333 2HZ LYS 42 2HZ LYS 42 -8.599 -3.955 5.876 334 3HZ LYS 42 3HZ LYS 42 -10.250 -3.559 5.829 335 H LEU 43 H LEU 43 -4.405 -1.258 0.596 336 HA LEU 43 HA LEU 43 -1.928 -1.197 2.242 337 1HB LEU 43 1HB LEU 43 -2.168 -2.094 -0.472 338 2HB LEU 43 2HB LEU 43 -1.232 -0.602 -0.445 339 HG LEU 43 HG LEU 43 -0.666 -3.208 0.968 340 1HD1 LEU 43 1HD1 LEU 43 0.594 -1.460 -1.089 341 2HD1 LEU 43 2HD1 LEU 43 1.660 -2.378 -0.024 342 3HD1 LEU 43 3HD1 LEU 43 0.475 -3.216 -1.025 343 1HD2 LEU 43 1HD2 LEU 43 -0.038 -0.460 1.865 344 2HD2 LEU 43 2HD2 LEU 43 -0.027 -1.972 2.777 345 3HD2 LEU 43 3HD2 LEU 43 1.357 -1.537 1.771 346 H THR 44 H THR 44 -1.241 0.876 2.659 347 HA THR 44 HA THR 44 -2.946 3.080 1.981 348 HB THR 44 HB THR 44 -0.456 2.681 3.546 349 HG1 THR 44 HG1 THR 44 -2.225 2.796 4.749 350 1HG2 THR 44 1HG2 THR 44 -1.261 5.367 2.386 351 2HG2 THR 44 2HG2 THR 44 -0.115 5.156 3.707 352 3HG2 THR 44 3HG2 THR 44 0.266 4.522 2.104 353 H LEU 45 H LEU 45 -2.826 4.392 0.222 354 HA LEU 45 HA LEU 45 -0.268 4.403 -1.326 355 1HB LEU 45 1HB LEU 45 -3.110 4.249 -2.267 356 2HB LEU 45 2HB LEU 45 -1.956 5.157 -3.245 357 HG LEU 45 HG LEU 45 -1.321 2.364 -2.322 358 1HD1 LEU 45 1HD1 LEU 45 -2.890 3.255 -4.749 359 2HD1 LEU 45 2HD1 LEU 45 -2.211 1.640 -4.548 360 3HD1 LEU 45 3HD1 LEU 45 -3.468 2.210 -3.451 361 1HD2 LEU 45 1HD2 LEU 45 -0.440 4.212 -4.548 362 2HD2 LEU 45 2HD2 LEU 45 0.562 3.531 -3.261 363 3HD2 LEU 45 3HD2 LEU 45 -0.063 2.492 -4.550 364 H PHE 46 H PHE 46 -0.375 6.155 0.685 365 HA PHE 46 HA PHE 46 -1.737 8.613 0.315 366 1HB PHE 46 1HB PHE 46 0.886 7.869 1.587 367 2HB PHE 46 2HB PHE 46 0.457 9.568 1.415 368 HD1 PHE 46 HD1 PHE 46 -2.472 9.500 1.819 369 HD2 PHE 46 HD2 PHE 46 0.668 7.408 3.874 370 HE1 PHE 46 HE1 PHE 46 -3.901 9.340 3.839 371 HE2 PHE 46 HE2 PHE 46 -0.764 7.243 5.892 372 HZ PHE 46 HZ PHE 46 -3.048 8.211 5.874 373 H VAL 47 H VAL 47 0.824 7.140 -1.386 374 HA VAL 47 HA VAL 47 2.377 8.997 -2.574 375 HB VAL 47 HB VAL 47 1.960 7.559 -4.726 376 1HG1 VAL 47 1HG1 VAL 47 3.017 6.606 -2.078 377 2HG1 VAL 47 2HG1 VAL 47 3.082 5.565 -3.506 378 3HG1 VAL 47 3HG1 VAL 47 3.913 7.128 -3.503 379 1HG2 VAL 47 1HG2 VAL 47 -0.257 6.690 -4.010 380 2HG2 VAL 47 2HG2 VAL 47 0.910 5.379 -4.233 381 3HG2 VAL 47 3HG2 VAL 47 0.506 5.936 -2.611 382 H LYS 48 H LYS 48 2.203 10.569 -4.170 383 HA LYS 48 HA LYS 48 -0.573 11.415 -4.827 384 1HB LYS 48 1HB LYS 48 1.854 12.803 -4.167 385 2HB LYS 48 2HB LYS 48 1.343 13.290 -5.784 386 1HG LYS 48 1HG LYS 48 -1.045 13.279 -4.429 387 2HG LYS 48 2HG LYS 48 0.076 13.822 -3.179 388 1HD LYS 48 1HD LYS 48 -0.028 15.024 -5.956 389 2HD LYS 48 2HD LYS 48 -0.911 15.683 -4.580 390 1HE LYS 48 1HE LYS 48 1.542 15.461 -3.469 391 2HE LYS 48 2HE LYS 48 2.005 15.718 -5.151 392 1HZ LYS 48 1HZ LYS 48 -0.040 17.503 -4.609 393 2HZ LYS 48 2HZ LYS 48 1.014 17.588 -3.282 394 3HZ LYS 48 3HZ LYS 48 1.603 17.859 -4.853 No H/Q in entry = 394 Start of MODEL 10 1 H1 ASP 1 1H ASP 1 -6.584 12.465 -1.249 2 H2 ASP 1 2H ASP 1 -7.737 13.449 -0.487 3 H3 ASP 1 3H ASP 1 -6.267 13.104 0.292 4 HA ASP 1 HA ASP 1 -7.885 11.747 1.315 5 1HB ASP 1 2HB ASP 1 -9.568 11.944 -0.501 6 2HB ASP 1 1HB ASP 1 -9.338 10.268 -0.001 7 H SER 2 H SER 2 -7.802 9.222 1.376 8 HA SER 2 HA SER 2 -5.020 8.442 0.639 9 1HB SER 2 1HB SER 2 -5.616 6.507 2.292 10 2HB SER 2 2HB SER 2 -5.276 8.106 2.946 11 HG SER 2 HG SER 2 -7.825 6.978 2.387 12 H ILE 3 H ILE 3 -4.703 6.822 -0.837 13 HA ILE 3 HA ILE 3 -7.070 5.636 -2.086 14 HB ILE 3 HB ILE 3 -4.136 5.597 -2.816 15 1HG1 ILE 3 1HG1 ILE 3 -6.557 6.930 -4.069 16 2HG1 ILE 3 2HG1 ILE 3 -5.246 7.744 -3.212 17 1HG2 ILE 3 1HG2 ILE 3 -5.329 3.493 -3.480 18 2HG2 ILE 3 2HG2 ILE 3 -6.472 4.478 -4.393 19 3HG2 ILE 3 3HG2 ILE 3 -4.769 4.444 -4.858 20 1HD1 ILE 3 1HD1 ILE 3 -4.573 5.963 -5.534 21 2HD1 ILE 3 2HD1 ILE 3 -5.200 7.582 -5.850 22 3HD1 ILE 3 3HD1 ILE 3 -3.713 7.379 -4.924 23 H THR 4 H THR 4 -7.615 3.477 -1.841 24 HA THR 4 HA THR 4 -5.678 1.767 -0.327 25 HB THR 4 HB THR 4 -8.700 1.872 -0.091 26 HG1 THR 4 HG1 THR 4 -6.519 2.534 1.566 27 1HG2 THR 4 1HG2 THR 4 -6.781 -0.269 0.433 28 2HG2 THR 4 2HG2 THR 4 -7.703 0.173 1.868 29 3HG2 THR 4 3HG2 THR 4 -8.543 -0.326 0.401 30 H TYR 5 H TYR 5 -4.961 0.222 -1.731 31 HA TYR 5 HA TYR 5 -6.956 -0.838 -3.686 32 1HB TYR 5 1HB TYR 5 -5.408 -0.807 -5.359 33 2HB TYR 5 2HB TYR 5 -4.769 0.508 -4.388 34 HD1 TYR 5 HD1 TYR 5 -4.411 -3.220 -4.880 35 HD2 TYR 5 HD2 TYR 5 -2.580 0.459 -3.627 36 HE1 TYR 5 HE1 TYR 5 -2.228 -4.335 -4.796 37 HE2 TYR 5 HE2 TYR 5 -0.389 -0.683 -3.514 38 HH TYR 5 HH TYR 5 -0.072 -4.108 -4.445 39 H ARG 6 H ARG 6 -7.216 -3.018 -3.831 40 HA ARG 6 HA ARG 6 -5.893 -4.603 -1.729 41 1HB ARG 6 1HB ARG 6 -8.137 -5.288 -3.652 42 2HB ARG 6 2HB ARG 6 -7.522 -6.374 -2.405 43 1HG ARG 6 1HG ARG 6 -8.683 -5.319 -0.784 44 2HG ARG 6 2HG ARG 6 -8.138 -3.733 -1.335 45 1HD ARG 6 1HD ARG 6 -9.920 -3.495 -2.834 46 2HD ARG 6 2HD ARG 6 -10.217 -5.232 -2.904 47 HE ARG 6 HE ARG 6 -10.728 -3.838 -0.332 48 1HH1 ARG 6 1HH1 ARG 6 -11.988 -6.150 0.076 49 2HH1 ARG 6 2HH1 ARG 6 -13.511 -6.112 -0.749 50 1HH2 ARG 6 1HH2 ARG 6 -12.628 -3.468 -2.813 51 2HH2 ARG 6 2HH2 ARG 6 -13.872 -4.593 -2.385 52 H VAL 7 H VAL 7 -4.149 -5.710 -2.148 53 HA VAL 7 HA VAL 7 -3.117 -6.014 -4.845 54 HB VAL 7 HB VAL 7 -2.121 -7.398 -2.350 55 1HG1 VAL 7 1HG1 VAL 7 -1.166 -6.991 -5.049 56 2HG1 VAL 7 2HG1 VAL 7 -0.053 -6.245 -3.889 57 3HG1 VAL 7 3HG1 VAL 7 -0.464 -7.963 -3.753 58 1HG2 VAL 7 1HG2 VAL 7 -2.520 -4.576 -2.778 59 2HG2 VAL 7 2HG2 VAL 7 -1.794 -5.393 -1.382 60 3HG2 VAL 7 3HG2 VAL 7 -0.773 -4.927 -2.749 61 H ARG 8 H ARG 8 -4.051 -7.523 -6.153 62 HA ARG 8 HA ARG 8 -5.077 -10.036 -4.937 63 1HB ARG 8 1HB ARG 8 -5.930 -8.356 -7.093 64 2HB ARG 8 2HB ARG 8 -5.542 -9.947 -7.750 65 1HG ARG 8 1HG ARG 8 -7.906 -9.800 -6.987 66 2HG ARG 8 2HG ARG 8 -6.992 -11.017 -6.096 67 1HD ARG 8 1HD ARG 8 -6.941 -9.758 -4.148 68 2HD ARG 8 2HD ARG 8 -7.079 -8.226 -5.014 69 HE ARG 8 HE ARG 8 -9.341 -10.063 -4.402 70 1HH1 ARG 8 1HH1 ARG 8 -9.465 -8.414 -7.003 71 2HH1 ARG 8 2HH1 ARG 8 -10.376 -7.043 -6.464 72 1HH2 ARG 8 1HH2 ARG 8 -9.919 -7.728 -3.095 73 2HH2 ARG 8 2HH2 ARG 8 -10.635 -6.656 -4.253 74 H LYS 9 H LYS 9 -4.554 -12.104 -6.071 75 HA LYS 9 HA LYS 9 -1.776 -12.497 -6.369 76 1HB LYS 9 1HB LYS 9 -2.353 -14.637 -7.477 77 2HB LYS 9 2HB LYS 9 -3.317 -14.375 -6.023 78 1HG LYS 9 1HG LYS 9 -5.105 -14.798 -7.356 79 2HG LYS 9 2HG LYS 9 -4.854 -13.163 -7.966 80 1HD LYS 9 2HD LYS 9 -3.021 -14.587 -9.434 81 2HD LYS 9 1HD LYS 9 -4.644 -14.173 -9.990 82 1HE LYS 9 1HE LYS 9 -3.616 -16.746 -9.719 83 2HE LYS 9 2HE LYS 9 -4.623 -16.548 -8.284 84 1HZ LYS 9 1HZ LYS 9 -5.542 -15.876 -11.022 85 2HZ LYS 9 2HZ LYS 9 -5.799 -17.394 -10.303 86 3HZ LYS 9 3HZ LYS 9 -6.483 -16.004 -9.612 87 H GLY 10 H GLY 10 -0.389 -12.358 -8.108 88 1HA GLY 10 1HA GLY 10 0.260 -12.046 -10.379 89 2HA GLY 10 2HA GLY 10 -1.442 -11.903 -10.818 90 H ASP 11 H ASP 11 -1.320 -9.897 -8.272 91 HA ASP 11 HA ASP 11 -1.019 -7.529 -9.986 92 1HB ASP 11 1HB ASP 11 -1.883 -7.920 -7.117 93 2HB ASP 11 2HB ASP 11 -1.665 -6.326 -7.830 94 H SER 12 H SER 12 0.606 -5.986 -9.745 95 HA SER 12 HA SER 12 2.830 -6.767 -7.903 96 1HB SER 12 1HB SER 12 3.248 -6.866 -10.436 97 2HB SER 12 2HB SER 12 3.129 -5.110 -10.412 98 HG SER 12 HG SER 12 4.761 -6.311 -8.505 99 H LEU 13 H LEU 13 3.632 -5.177 -6.571 100 HA LEU 13 HA LEU 13 2.058 -2.990 -5.733 101 1HB LEU 13 1HB LEU 13 4.994 -3.635 -5.557 102 2HB LEU 13 2HB LEU 13 4.386 -2.105 -4.938 103 HG LEU 13 HG LEU 13 4.496 -3.953 -3.215 104 1HD1 LEU 13 1HD1 LEU 13 2.283 -2.188 -3.853 105 2HD1 LEU 13 2HD1 LEU 13 1.734 -3.625 -2.978 106 3HD1 LEU 13 3HD1 LEU 13 2.981 -2.584 -2.281 107 1HD2 LEU 13 1HD2 LEU 13 3.733 -5.766 -4.818 108 2HD2 LEU 13 2HD2 LEU 13 2.870 -5.735 -3.279 109 3HD2 LEU 13 3HD2 LEU 13 2.112 -5.069 -4.724 110 H SER 14 H SER 14 4.945 -2.814 -7.847 111 HA SER 14 HA SER 14 4.594 -0.075 -8.505 112 1HB SER 14 1HB SER 14 5.732 -1.905 -10.566 113 2HB SER 14 2HB SER 14 6.353 -0.373 -9.960 114 HG SER 14 HG SER 14 7.129 -1.391 -8.180 115 H SER 15 H SER 15 3.468 -3.028 -10.201 116 HA SER 15 HA SER 15 2.273 -1.736 -12.421 117 1HB SER 15 1HB SER 15 1.277 -3.779 -12.921 118 2HB SER 15 2HB SER 15 2.620 -4.288 -11.905 119 HG SER 15 HG SER 15 -0.104 -4.286 -11.419 120 H ILE 16 H ILE 16 1.018 -2.373 -9.214 121 HA ILE 16 HA ILE 16 -1.672 -1.501 -9.727 122 HB ILE 16 HB ILE 16 0.006 -1.760 -7.235 123 1HG1 ILE 16 2HG1 ILE 16 -1.848 -3.385 -8.705 124 2HG1 ILE 16 1HG1 ILE 16 -2.561 -3.015 -7.134 125 1HG2 ILE 16 1HG2 ILE 16 -2.383 -0.098 -7.664 126 2HG2 ILE 16 2HG2 ILE 16 -2.537 -1.241 -6.335 127 3HG2 ILE 16 3HG2 ILE 16 -1.220 -0.069 -6.339 128 1HD1 ILE 16 1HD1 ILE 16 0.123 -3.590 -6.578 129 2HD1 ILE 16 2HD1 ILE 16 -1.260 -4.640 -6.270 130 3HD1 ILE 16 3HD1 ILE 16 -0.354 -4.794 -7.775 131 H ALA 17 H ALA 17 1.243 0.174 -8.513 132 HA ALA 17 HA ALA 17 0.152 2.751 -8.140 133 1HB ALA 17 2HB ALA 17 2.576 3.251 -9.391 134 2HB ALA 17 1HB ALA 17 2.799 1.644 -8.706 135 3HB ALA 17 3HB ALA 17 2.345 2.993 -7.664 136 H LYS 18 H LYS 18 1.373 1.213 -11.127 137 HA LYS 18 HA LYS 18 1.141 3.343 -12.925 138 1HB LYS 18 1HB LYS 18 0.462 0.428 -13.405 139 2HB LYS 18 2HB LYS 18 0.730 1.622 -14.674 140 1HG LYS 18 1HG LYS 18 2.820 1.278 -12.552 141 2HG LYS 18 2HG LYS 18 2.722 0.092 -13.854 142 1HD LYS 18 2HD LYS 18 2.510 2.509 -15.193 143 2HD LYS 18 1HD LYS 18 3.975 1.536 -15.060 144 1HE LYS 18 1HE LYS 18 3.259 3.419 -12.833 145 2HE LYS 18 2HE LYS 18 4.848 2.850 -13.343 146 1HZ LYS 18 1HZ LYS 18 3.875 4.150 -15.529 147 2HZ LYS 18 2HZ LYS 18 3.355 5.121 -14.239 148 3HZ LYS 18 3HZ LYS 18 5.007 4.770 -14.424 149 H ARG 19 H ARG 19 -1.454 1.210 -11.740 150 HA ARG 19 HA ARG 19 -3.539 2.093 -13.441 151 1HB ARG 19 1HB ARG 19 -3.479 1.055 -10.616 152 2HB ARG 19 2HB ARG 19 -4.995 1.595 -11.333 153 1HG ARG 19 1HG ARG 19 -4.203 0.061 -13.346 154 2HG ARG 19 2HG ARG 19 -3.271 -0.735 -12.076 155 1HD ARG 19 1HD ARG 19 -5.512 -0.711 -10.744 156 2HD ARG 19 2HD ARG 19 -6.259 -0.442 -12.317 157 HE ARG 19 HE ARG 19 -5.954 -2.741 -12.672 158 1HH1 ARG 19 1HH1 ARG 19 -3.393 -3.234 -13.405 159 2HH1 ARG 19 2HH1 ARG 19 -2.584 -3.959 -12.056 160 1HH2 ARG 19 1HH2 ARG 19 -4.944 -2.913 -9.739 161 2HH2 ARG 19 2HH2 ARG 19 -3.462 -3.778 -9.980 162 H HIS 20 H HIS 20 -2.091 3.635 -10.622 163 HA HIS 20 HA HIS 20 -4.001 5.908 -10.976 164 1HB HIS 20 2HB HIS 20 -4.197 6.045 -8.732 165 2HB HIS 20 1HB HIS 20 -2.456 5.997 -8.516 166 HD1 HIS 20 HD1 HIS 20 -5.502 3.860 -8.404 167 HD2 HIS 20 HD2 HIS 20 -1.381 3.331 -8.174 168 HE1 HIS 20 HE1 HIS 20 -5.101 1.527 -7.494 169 H GLY 21 H GLY 21 -1.084 5.141 -12.083 170 1HA GLY 21 1HA GLY 21 0.894 6.334 -12.554 171 2HA GLY 21 2HA GLY 21 -0.161 7.753 -12.568 172 H VAL 22 H VAL 22 0.911 5.508 -10.014 173 HA VAL 22 HA VAL 22 1.678 7.906 -8.403 174 HB VAL 22 HB VAL 22 1.262 6.072 -6.513 175 1HG1 VAL 22 1HG1 VAL 22 -0.716 7.838 -7.952 176 2HG1 VAL 22 2HG1 VAL 22 -1.156 6.956 -6.487 177 3HG1 VAL 22 3HG1 VAL 22 0.138 8.156 -6.441 178 1HG2 VAL 22 1HG2 VAL 22 0.631 4.458 -8.436 179 2HG2 VAL 22 2HG2 VAL 22 -0.405 4.511 -7.012 180 3HG2 VAL 22 3HG2 VAL 22 -0.887 5.358 -8.484 181 H ASN 23 H ASN 23 3.241 7.235 -6.546 182 HA ASN 23 HA ASN 23 5.427 5.629 -7.792 183 1HB ASN 23 1HB ASN 23 5.404 7.896 -5.808 184 2HB ASN 23 2HB ASN 23 6.820 6.864 -6.001 185 2HD2 ASN 23 2HD2 ASN 23 7.212 6.487 -8.611 186 1HD2 ASN 23 1HD2 ASN 23 7.261 7.940 -9.488 187 H ILE 24 H ILE 24 4.917 3.559 -7.068 188 HA ILE 24 HA ILE 24 3.950 2.851 -4.530 189 HB ILE 24 HB ILE 24 5.874 1.267 -6.254 190 1HG1 ILE 24 1HG1 ILE 24 3.846 2.061 -7.414 191 2HG1 ILE 24 2HG1 ILE 24 3.828 0.320 -7.185 192 1HG2 ILE 24 1HG2 ILE 24 4.262 0.705 -3.821 193 2HG2 ILE 24 2HG2 ILE 24 4.229 -0.516 -5.104 194 3HG2 ILE 24 3HG2 ILE 24 5.766 -0.044 -4.370 195 1HD1 ILE 24 1HD1 ILE 24 2.454 2.274 -5.303 196 2HD1 ILE 24 2HD1 ILE 24 1.636 1.419 -6.615 197 3HD1 ILE 24 3HD1 ILE 24 2.339 0.497 -5.282 198 H LYS 25 H LYS 25 7.156 3.913 -5.451 199 HA LYS 25 HA LYS 25 8.552 2.895 -3.154 200 1HB LYS 25 1HB LYS 25 10.076 4.903 -3.544 201 2HB LYS 25 2HB LYS 25 9.921 3.784 -4.894 202 1HG LYS 25 1HG LYS 25 8.378 5.248 -6.030 203 2HG LYS 25 2HG LYS 25 8.243 6.291 -4.614 204 1HD LYS 25 1HD LYS 25 10.706 6.766 -4.820 205 2HD LYS 25 2HD LYS 25 10.693 5.880 -6.345 206 1HE LYS 25 1HE LYS 25 8.528 7.793 -6.295 207 2HE LYS 25 2HE LYS 25 10.059 8.600 -5.957 208 1HZ LYS 25 1HZ LYS 25 9.638 6.731 -8.221 209 2HZ LYS 25 2HZ LYS 25 9.514 8.419 -8.353 210 3HZ LYS 25 3HZ LYS 25 10.998 7.710 -7.937 211 H ASP 26 H ASP 26 6.592 5.795 -3.771 212 HA ASP 26 HA ASP 26 7.015 7.015 -1.206 213 1HB ASP 26 2HB ASP 26 4.937 8.242 -1.629 214 2HB ASP 26 1HB ASP 26 4.527 7.138 -2.931 215 H VAL 27 H VAL 27 4.769 4.649 -2.512 216 HA VAL 27 HA VAL 27 3.155 4.287 -0.182 217 HB VAL 27 HB VAL 27 4.061 2.109 -2.083 218 1HG1 VAL 27 1HG1 VAL 27 2.196 2.291 0.163 219 2HG1 VAL 27 2HG1 VAL 27 1.427 1.701 -1.312 220 3HG1 VAL 27 3HG1 VAL 27 2.831 0.861 -0.654 221 1HG2 VAL 27 1HG2 VAL 27 3.078 4.241 -3.103 222 2HG2 VAL 27 2HG2 VAL 27 2.257 2.736 -3.511 223 3HG2 VAL 27 3HG2 VAL 27 1.576 3.813 -2.291 224 H MET 28 H MET 28 6.259 2.803 -1.136 225 HA MET 28 HA MET 28 6.491 1.271 1.329 226 1HB MET 28 2HB MET 28 8.789 0.845 0.581 227 2HB MET 28 1HB MET 28 8.644 2.106 -0.643 228 1HG MET 28 1HG MET 28 7.285 -0.581 -0.531 229 2HG MET 28 2HG MET 28 6.588 0.736 -1.472 230 1HE MET 28 1HE MET 28 7.837 -2.235 -2.224 231 2HE MET 28 2HE MET 28 6.890 -1.274 -3.356 232 3HE MET 28 3HE MET 28 8.466 -1.895 -3.842 233 H ARG 29 H ARG 29 6.895 4.545 0.455 234 HA ARG 29 HA ARG 29 8.962 5.231 2.381 235 1HB ARG 29 1HB ARG 29 8.272 6.583 0.316 236 2HB ARG 29 2HB ARG 29 6.867 7.098 1.250 237 1HG ARG 29 1HG ARG 29 8.479 7.852 3.058 238 2HG ARG 29 2HG ARG 29 9.782 7.571 1.904 239 1HD ARG 29 1HD ARG 29 8.046 9.038 0.385 240 2HD ARG 29 2HD ARG 29 7.775 9.735 1.983 241 HE ARG 29 HE ARG 29 10.449 9.623 0.646 242 1HH1 ARG 29 1HH1 ARG 29 9.286 10.184 3.675 243 2HH1 ARG 29 2HH1 ARG 29 9.794 11.835 3.790 244 1HH2 ARG 29 1HH2 ARG 29 10.634 12.090 0.435 245 2HH2 ARG 29 2HH2 ARG 29 10.559 12.914 1.957 246 H TRP 30 H TRP 30 5.376 5.362 2.365 247 HA TRP 30 HA TRP 30 5.372 6.357 5.141 248 1HB TRP 30 2HB TRP 30 2.984 6.375 4.981 249 2HB TRP 30 1HB TRP 30 3.002 5.271 3.605 250 HD1 TRP 30 HD1 TRP 30 4.421 8.779 4.455 251 HE1 TRP 30 HE1 TRP 30 4.272 10.223 2.323 252 HE3 TRP 30 HE3 TRP 30 2.497 5.350 1.227 253 HZ2 TRP 30 HZ2 TRP 30 3.439 9.946 -0.406 254 HZ3 TRP 30 HZ3 TRP 30 2.033 5.951 -1.122 255 HH2 TRP 30 HH2 TRP 30 2.499 8.243 -1.952 256 H ASN 31 H ASN 31 4.724 3.289 3.453 257 HA ASN 31 HA ASN 31 4.301 1.977 6.082 258 1HB ASN 31 2HB ASN 31 3.614 0.036 4.822 259 2HB ASN 31 1HB ASN 31 4.178 0.758 3.314 260 2HD2 ASN 31 2HD2 ASN 31 2.901 2.545 2.410 261 1HD2 ASN 31 1HD2 ASN 31 1.321 2.856 2.946 262 H SER 32 H SER 32 5.803 0.654 6.990 263 HA SER 32 HA SER 32 8.448 0.510 5.675 264 1HB SER 32 1HB SER 32 7.474 -0.022 8.474 265 2HB SER 32 2HB SER 32 9.068 -0.554 7.947 266 HG SER 32 HG SER 32 8.674 1.697 8.914 267 H ASP 33 H ASP 33 7.000 -1.888 7.780 268 HA ASP 33 HA ASP 33 7.890 -4.048 6.038 269 1HB ASP 33 1HB ASP 33 6.603 -3.801 8.701 270 2HB ASP 33 2HB ASP 33 6.187 -5.255 7.791 271 H THR 34 H THR 34 6.793 -4.177 4.110 272 HA THR 34 HA THR 34 3.906 -3.615 4.026 273 HB THR 34 HB THR 34 4.262 -4.211 1.553 274 HG1 THR 34 HG1 THR 34 6.159 -5.370 1.760 275 1HG2 THR 34 1HG2 THR 34 5.149 -1.907 3.119 276 2HG2 THR 34 2HG2 THR 34 6.001 -2.048 1.579 277 3HG2 THR 34 3HG2 THR 34 4.240 -1.954 1.608 278 H ALA 35 H ALA 35 4.522 -5.867 5.638 279 HA ALA 35 HA ALA 35 4.240 -8.333 4.190 280 1HB ALA 35 3HB ALA 35 5.099 -8.306 6.483 281 2HB ALA 35 2HB ALA 35 3.635 -9.285 6.408 282 3HB ALA 35 1HB ALA 35 3.570 -7.650 7.066 283 H ASN 36 H ASN 36 2.066 -5.794 4.699 284 HA ASN 36 HA ASN 36 -0.337 -7.453 4.842 285 1HB ASN 36 1HB ASN 36 0.270 -4.528 4.759 286 2HB ASN 36 2HB ASN 36 -1.331 -5.055 4.236 287 2HD2 ASN 36 2HD2 ASN 36 0.291 -4.023 6.948 288 1HD2 ASN 36 1HD2 ASN 36 -0.637 -4.795 8.141 289 H LEU 37 H LEU 37 1.822 -6.870 2.378 290 HA LEU 37 HA LEU 37 -0.183 -6.400 0.276 291 1HB LEU 37 1HB LEU 37 2.795 -6.941 0.222 292 2HB LEU 37 2HB LEU 37 1.817 -6.885 -1.247 293 HG LEU 37 HG LEU 37 1.294 -4.617 -0.970 294 1HD1 LEU 37 1HD1 LEU 37 2.172 -4.973 1.901 295 2HD1 LEU 37 2HD1 LEU 37 1.900 -3.391 1.177 296 3HD1 LEU 37 3HD1 LEU 37 0.569 -4.539 1.310 297 1HD2 LEU 37 1HD2 LEU 37 4.111 -5.118 0.008 298 2HD2 LEU 37 2HD2 LEU 37 3.588 -4.786 -1.642 299 3HD2 LEU 37 3HD2 LEU 37 3.513 -3.514 -0.422 300 H GLN 38 H GLN 38 -1.396 -8.350 1.078 301 HA GLN 38 HA GLN 38 -0.272 -10.901 0.035 302 1HB GLN 38 1HB GLN 38 -2.440 -10.306 2.076 303 2HB GLN 38 2HB GLN 38 -2.129 -11.921 1.439 304 1HG GLN 38 1HG GLN 38 0.368 -10.765 2.244 305 2HG GLN 38 2HG GLN 38 -0.784 -10.599 3.570 306 2HE2 GLN 38 2HE2 GLN 38 -1.968 -12.673 4.204 307 1HE2 GLN 38 1HE2 GLN 38 -1.148 -14.149 4.024 308 HA PRO 39 HA PRO 39 -3.274 -10.846 -3.088 309 1HB PRO 39 1HB PRO 39 -4.132 -13.476 -3.159 310 2HB PRO 39 2HB PRO 39 -2.585 -12.919 -3.824 311 1HG PRO 39 2HG PRO 39 -1.681 -14.421 -2.307 312 2HG PRO 39 1HG PRO 39 -3.118 -14.383 -1.269 313 1HD PRO 39 1HD PRO 39 -1.877 -12.987 0.089 314 2HD PRO 39 2HD PRO 39 -0.689 -12.664 -1.193 315 H GLY 40 H GLY 40 -4.713 -9.493 -1.925 316 1HA GLY 40 1HA GLY 40 -7.256 -9.548 -1.786 317 2HA GLY 40 2HA GLY 40 -7.028 -10.874 -0.645 318 H ASP 41 H ASP 41 -4.608 -8.374 -0.445 319 HA ASP 41 HA ASP 41 -6.007 -7.373 2.017 320 1HB ASP 41 1HB ASP 41 -3.253 -8.191 1.463 321 2HB ASP 41 2HB ASP 41 -3.358 -6.602 2.222 322 H LYS 42 H LYS 42 -5.880 -5.076 2.448 323 HA LYS 42 HA LYS 42 -5.888 -3.471 -0.003 324 1HB LYS 42 1HB LYS 42 -6.527 -2.937 2.894 325 2HB LYS 42 2HB LYS 42 -6.413 -1.618 1.729 326 1HG LYS 42 1HG LYS 42 -8.258 -2.348 0.513 327 2HG LYS 42 2HG LYS 42 -8.074 -4.019 1.046 328 1HD LYS 42 1HD LYS 42 -8.546 -2.188 3.275 329 2HD LYS 42 2HD LYS 42 -9.862 -2.170 2.099 330 1HE LYS 42 1HE LYS 42 -10.055 -4.608 2.232 331 2HE LYS 42 2HE LYS 42 -8.688 -4.673 3.346 332 1HZ LYS 42 1HZ LYS 42 -10.922 -2.923 4.044 333 2HZ LYS 42 2HZ LYS 42 -11.169 -4.595 4.190 334 3HZ LYS 42 3HZ LYS 42 -9.909 -3.846 5.048 335 H LEU 43 H LEU 43 -4.619 -1.489 -0.207 336 HA LEU 43 HA LEU 43 -2.120 -1.412 1.402 337 1HB LEU 43 1HB LEU 43 -2.387 -2.316 -1.307 338 2HB LEU 43 2HB LEU 43 -1.459 -0.818 -1.293 339 HG LEU 43 HG LEU 43 -0.859 -3.422 0.108 340 1HD1 LEU 43 1HD1 LEU 43 0.349 -1.663 -1.962 341 2HD1 LEU 43 2HD1 LEU 43 1.451 -2.537 -0.900 342 3HD1 LEU 43 3HD1 LEU 43 0.279 -3.421 -1.880 343 1HD2 LEU 43 1HD2 LEU 43 -0.259 -0.677 1.023 344 2HD2 LEU 43 2HD2 LEU 43 -0.204 -2.198 1.917 345 3HD2 LEU 43 3HD2 LEU 43 1.153 -1.724 0.895 346 H THR 44 H THR 44 -1.452 0.671 1.812 347 HA THR 44 HA THR 44 -3.173 2.860 1.127 348 HB THR 44 HB THR 44 -0.662 2.502 2.676 349 HG1 THR 44 HG1 THR 44 -2.069 2.888 4.159 350 1HG2 THR 44 1HG2 THR 44 -1.562 5.164 1.531 351 2HG2 THR 44 2HG2 THR 44 -0.416 4.997 2.858 352 3HG2 THR 44 3HG2 THR 44 -0.004 4.378 1.254 353 H LEU 45 H LEU 45 -3.078 4.117 -0.666 354 HA LEU 45 HA LEU 45 -0.517 4.152 -2.210 355 1HB LEU 45 1HB LEU 45 -3.366 4.003 -3.126 356 2HB LEU 45 2HB LEU 45 -2.229 4.930 -4.105 357 HG LEU 45 HG LEU 45 -1.569 2.128 -3.229 358 1HD1 LEU 45 1HD1 LEU 45 -3.159 3.044 -5.635 359 2HD1 LEU 45 2HD1 LEU 45 -2.478 1.427 -5.452 360 3HD1 LEU 45 3HD1 LEU 45 -3.729 1.988 -4.342 361 1HD2 LEU 45 1HD2 LEU 45 -0.723 4.004 -5.448 362 2HD2 LEU 45 2HD2 LEU 45 0.295 3.332 -4.168 363 3HD2 LEU 45 3HD2 LEU 45 -0.324 2.288 -5.455 364 H PHE 46 H PHE 46 -0.608 5.880 -0.183 365 HA PHE 46 HA PHE 46 -1.966 8.338 -0.477 366 1HB PHE 46 1HB PHE 46 0.578 7.465 0.794 367 2HB PHE 46 2HB PHE 46 0.431 9.189 0.465 368 HD1 PHE 46 HD1 PHE 46 -2.529 9.531 0.814 369 HD2 PHE 46 HD2 PHE 46 0.360 7.359 3.136 370 HE1 PHE 46 HE1 PHE 46 -3.955 9.783 2.827 371 HE2 PHE 46 HE2 PHE 46 -1.064 7.611 5.146 372 HZ PHE 46 HZ PHE 46 -3.223 8.822 4.993 373 H VAL 47 H VAL 47 0.583 6.918 -2.253 374 HA VAL 47 HA VAL 47 2.042 8.826 -3.488 375 HB VAL 47 HB VAL 47 1.639 7.370 -5.617 376 1HG1 VAL 47 1HG1 VAL 47 2.735 6.433 -2.980 377 2HG1 VAL 47 2HG1 VAL 47 2.800 5.388 -4.407 378 3HG1 VAL 47 3HG1 VAL 47 3.611 6.963 -4.416 379 1HG2 VAL 47 1HG2 VAL 47 -0.564 6.474 -4.860 380 2HG2 VAL 47 2HG2 VAL 47 0.615 5.184 -5.140 381 3HG2 VAL 47 3HG2 VAL 47 0.246 5.702 -3.497 382 H LYS 48 H LYS 48 1.711 10.502 -4.908 383 HA LYS 48 HA LYS 48 -1.117 11.096 -5.620 384 1HB LYS 48 1HB LYS 48 1.372 12.796 -5.401 385 2HB LYS 48 2HB LYS 48 -0.091 13.386 -6.192 386 1HG LYS 48 1HG LYS 48 -1.247 13.558 -4.226 387 2HG LYS 48 2HG LYS 48 -0.486 12.124 -3.537 388 1HD LYS 48 1HD LYS 48 1.640 13.862 -3.737 389 2HD LYS 48 2HD LYS 48 0.310 14.947 -3.329 390 1HE LYS 48 1HE LYS 48 0.654 12.375 -1.812 391 2HE LYS 48 2HE LYS 48 1.640 13.777 -1.397 392 1HZ LYS 48 1HZ LYS 48 -1.115 14.449 -1.750 393 2HZ LYS 48 2HZ LYS 48 -0.898 13.286 -0.532 394 3HZ LYS 48 3HZ LYS 48 -0.084 14.775 -0.444 No H/Q in entry = 394 Start of MODEL 11 1 H1 ASP 1 1H ASP 1 -5.940 12.878 2.321 2 H2 ASP 1 2H ASP 1 -6.482 13.406 0.801 3 H3 ASP 1 3H ASP 1 -7.439 13.655 2.182 4 HA ASP 1 HA ASP 1 -8.078 11.463 2.334 5 1HB ASP 1 2HB ASP 1 -8.909 10.872 0.165 6 2HB ASP 1 1HB ASP 1 -7.611 11.750 -0.644 7 H SER 2 H SER 2 -7.697 9.155 1.652 8 HA SER 2 HA SER 2 -4.828 8.652 0.986 9 1HB SER 2 1HB SER 2 -4.586 7.104 2.740 10 2HB SER 2 2HB SER 2 -5.498 8.410 3.489 11 HG SER 2 HG SER 2 -7.077 7.062 3.765 12 H ILE 3 H ILE 3 -4.506 6.934 -0.413 13 HA ILE 3 HA ILE 3 -6.908 5.772 -1.615 14 HB ILE 3 HB ILE 3 -3.987 5.672 -2.392 15 1HG1 ILE 3 1HG1 ILE 3 -6.385 7.096 -3.583 16 2HG1 ILE 3 2HG1 ILE 3 -5.025 7.855 -2.752 17 1HG2 ILE 3 1HG2 ILE 3 -5.260 3.612 -3.055 18 2HG2 ILE 3 2HG2 ILE 3 -6.378 4.644 -3.947 19 3HG2 ILE 3 3HG2 ILE 3 -4.683 4.554 -4.431 20 1HD1 ILE 3 1HD1 ILE 3 -4.374 6.063 -5.047 21 2HD1 ILE 3 2HD1 ILE 3 -5.107 7.623 -5.429 22 3HD1 ILE 3 3HD1 ILE 3 -3.593 7.557 -4.528 23 H THR 4 H THR 4 -7.352 3.534 -1.555 24 HA THR 4 HA THR 4 -5.450 1.859 0.029 25 HB THR 4 HB THR 4 -8.462 2.020 0.334 26 HG1 THR 4 HG1 THR 4 -7.015 3.471 1.506 27 1HG2 THR 4 1HG2 THR 4 -6.738 -0.254 0.587 28 2HG2 THR 4 2HG2 THR 4 -7.266 0.224 2.199 29 3HG2 THR 4 3HG2 THR 4 -8.460 -0.141 0.955 30 H TYR 5 H TYR 5 -4.775 0.270 -1.337 31 HA TYR 5 HA TYR 5 -6.796 -0.781 -3.270 32 1HB TYR 5 1HB TYR 5 -5.268 -0.768 -4.967 33 2HB TYR 5 2HB TYR 5 -4.623 0.560 -4.018 34 HD1 TYR 5 HD1 TYR 5 -4.248 -3.164 -4.508 35 HD2 TYR 5 HD2 TYR 5 -2.432 0.520 -3.245 36 HE1 TYR 5 HE1 TYR 5 -2.058 -4.267 -4.432 37 HE2 TYR 5 HE2 TYR 5 -0.235 -0.610 -3.142 38 HH TYR 5 HH TYR 5 0.106 -4.020 -4.109 39 H ARG 6 H ARG 6 -7.061 -2.962 -3.394 40 HA ARG 6 HA ARG 6 -5.713 -4.529 -1.300 41 1HB ARG 6 2HB ARG 6 -8.208 -4.706 -1.732 42 2HB ARG 6 1HB ARG 6 -7.349 -6.245 -1.744 43 1HG ARG 6 1HG ARG 6 -7.694 -4.728 -4.314 44 2HG ARG 6 2HG ARG 6 -7.508 -6.463 -4.063 45 1HD ARG 6 1HD ARG 6 -9.739 -6.720 -3.340 46 2HD ARG 6 2HD ARG 6 -9.925 -4.994 -3.024 47 HE ARG 6 HE ARG 6 -9.381 -5.371 -5.805 48 1HH1 ARG 6 1HH1 ARG 6 -11.763 -4.415 -3.729 49 2HH1 ARG 6 2HH1 ARG 6 -13.099 -4.969 -4.684 50 1HH2 ARG 6 1HH2 ARG 6 -11.116 -6.732 -6.916 51 2HH2 ARG 6 2HH2 ARG 6 -12.732 -6.278 -6.489 52 H VAL 7 H VAL 7 -4.032 -5.774 -1.681 53 HA VAL 7 HA VAL 7 -2.968 -5.984 -4.396 54 HB VAL 7 HB VAL 7 -1.933 -7.299 -1.877 55 1HG1 VAL 7 1HG1 VAL 7 -0.995 -6.962 -4.603 56 2HG1 VAL 7 2HG1 VAL 7 0.127 -6.215 -3.454 57 3HG1 VAL 7 3HG1 VAL 7 -0.306 -7.923 -3.292 58 1HG2 VAL 7 1HG2 VAL 7 -2.370 -4.506 -2.387 59 2HG2 VAL 7 2HG2 VAL 7 -1.575 -5.263 -0.992 60 3HG2 VAL 7 3HG2 VAL 7 -0.619 -4.824 -2.414 61 H ARG 8 H ARG 8 -3.916 -7.509 -5.676 62 HA ARG 8 HA ARG 8 -4.814 -10.061 -4.435 63 1HB ARG 8 1HB ARG 8 -5.395 -8.716 -7.079 64 2HB ARG 8 2HB ARG 8 -5.835 -10.397 -6.769 65 1HG ARG 8 1HG ARG 8 -6.618 -8.217 -4.841 66 2HG ARG 8 2HG ARG 8 -7.605 -8.568 -6.260 67 1HD ARG 8 1HD ARG 8 -6.794 -10.966 -4.764 68 2HD ARG 8 2HD ARG 8 -7.820 -9.865 -3.841 69 HE ARG 8 HE ARG 8 -8.956 -10.206 -6.437 70 1HH1 ARG 8 1HH1 ARG 8 -7.860 -12.653 -4.423 71 2HH1 ARG 8 2HH1 ARG 8 -9.406 -13.394 -4.188 72 1HH2 ARG 8 1HH2 ARG 8 -11.167 -10.848 -5.749 73 2HH2 ARG 8 2HH2 ARG 8 -11.277 -12.375 -4.938 74 H LYS 9 H LYS 9 -4.255 -12.103 -5.603 75 HA LYS 9 HA LYS 9 -1.476 -12.377 -6.025 76 1HB LYS 9 1HB LYS 9 -2.037 -14.519 -7.181 77 2HB LYS 9 2HB LYS 9 -2.859 -14.338 -5.631 78 1HG LYS 9 1HG LYS 9 -4.578 -13.135 -7.491 79 2HG LYS 9 2HG LYS 9 -3.999 -14.594 -8.295 80 1HD LYS 9 1HD LYS 9 -4.509 -15.398 -5.661 81 2HD LYS 9 2HD LYS 9 -5.858 -14.339 -6.075 82 1HE LYS 9 1HE LYS 9 -5.881 -15.698 -8.321 83 2HE LYS 9 2HE LYS 9 -4.999 -16.904 -7.383 84 1HZ LYS 9 1HZ LYS 9 -7.297 -15.808 -6.034 85 2HZ LYS 9 2HZ LYS 9 -7.679 -16.663 -7.451 86 3HZ LYS 9 3HZ LYS 9 -6.808 -17.423 -6.206 87 H GLY 10 H GLY 10 -0.176 -12.139 -7.811 88 1HA GLY 10 1HA GLY 10 0.333 -11.823 -10.131 89 2HA GLY 10 2HA GLY 10 -1.392 -11.663 -10.462 90 H ASP 11 H ASP 11 -1.242 -9.733 -7.921 91 HA ASP 11 HA ASP 11 -0.964 -7.312 -9.552 92 1HB ASP 11 1HB ASP 11 -1.719 -7.788 -6.661 93 2HB ASP 11 2HB ASP 11 -1.558 -6.177 -7.354 94 H SER 12 H SER 12 0.696 -5.818 -9.367 95 HA SER 12 HA SER 12 2.958 -6.622 -7.581 96 1HB SER 12 1HB SER 12 2.896 -6.106 -10.388 97 2HB SER 12 2HB SER 12 3.808 -4.807 -9.627 98 HG SER 12 HG SER 12 5.345 -6.176 -9.228 99 H LEU 13 H LEU 13 3.764 -5.054 -6.220 100 HA LEU 13 HA LEU 13 2.210 -2.865 -5.353 101 1HB LEU 13 1HB LEU 13 5.145 -3.518 -5.196 102 2HB LEU 13 2HB LEU 13 4.533 -2.002 -4.544 103 HG LEU 13 HG LEU 13 4.656 -3.890 -2.860 104 1HD1 LEU 13 1HD1 LEU 13 2.434 -2.116 -3.447 105 2HD1 LEU 13 2HD1 LEU 13 1.900 -3.567 -2.591 106 3HD1 LEU 13 3HD1 LEU 13 3.154 -2.533 -1.890 107 1HD2 LEU 13 1HD2 LEU 13 3.888 -5.674 -4.480 108 2HD2 LEU 13 2HD2 LEU 13 3.010 -5.660 -2.951 109 3HD2 LEU 13 3HD2 LEU 13 2.270 -4.970 -4.392 110 H SER 14 H SER 14 5.107 -2.655 -7.451 111 HA SER 14 HA SER 14 4.741 0.091 -8.077 112 1HB SER 14 1HB SER 14 5.899 -1.708 -10.153 113 2HB SER 14 2HB SER 14 6.506 -0.177 -9.532 114 HG SER 14 HG SER 14 7.782 -1.454 -8.435 115 H SER 15 H SER 15 3.595 -2.856 -9.733 116 HA SER 15 HA SER 15 2.423 -1.629 -11.997 117 1HB SER 15 1HB SER 15 2.673 -4.186 -11.227 118 2HB SER 15 2HB SER 15 0.994 -3.927 -10.765 119 HG SER 15 HG SER 15 2.097 -3.304 -13.307 120 H ILE 16 H ILE 16 1.027 -2.331 -8.846 121 HA ILE 16 HA ILE 16 -1.590 -1.335 -9.355 122 HB ILE 16 HB ILE 16 0.060 -1.588 -6.836 123 1HG1 ILE 16 2HG1 ILE 16 -1.754 -3.251 -8.337 124 2HG1 ILE 16 1HG1 ILE 16 -2.456 -2.918 -6.753 125 1HG2 ILE 16 1HG2 ILE 16 -2.337 0.034 -7.321 126 2HG2 ILE 16 2HG2 ILE 16 -2.537 -1.134 -6.020 127 3HG2 ILE 16 3HG2 ILE 16 -1.234 0.048 -5.946 128 1HD1 ILE 16 1HD1 ILE 16 0.253 -3.430 -6.246 129 2HD1 ILE 16 2HD1 ILE 16 -1.101 -4.509 -5.917 130 3HD1 ILE 16 3HD1 ILE 16 -0.223 -4.638 -7.439 131 H ALA 17 H ALA 17 1.349 0.287 -8.115 132 HA ALA 17 HA ALA 17 0.299 2.878 -7.719 133 1HB ALA 17 2HB ALA 17 2.740 3.320 -8.992 134 2HB ALA 17 1HB ALA 17 2.924 1.730 -8.258 135 3HB ALA 17 3HB ALA 17 2.492 3.120 -7.259 136 H LYS 18 H LYS 18 1.573 1.401 -10.724 137 HA LYS 18 HA LYS 18 1.305 3.557 -12.487 138 1HB LYS 18 1HB LYS 18 1.736 0.792 -12.721 139 2HB LYS 18 2HB LYS 18 0.332 1.127 -13.733 140 1HG LYS 18 1HG LYS 18 2.595 3.047 -13.925 141 2HG LYS 18 2HG LYS 18 2.857 1.447 -14.618 142 1HD LYS 18 1HD LYS 18 1.617 2.003 -16.408 143 2HD LYS 18 2HD LYS 18 0.236 2.333 -15.361 144 1HE LYS 18 1HE LYS 18 0.510 4.566 -15.557 145 2HE LYS 18 2HE LYS 18 2.235 4.450 -15.214 146 1HZ LYS 18 1HZ LYS 18 1.308 3.514 -17.821 147 2HZ LYS 18 2HZ LYS 18 1.333 5.189 -17.560 148 3HZ LYS 18 3HZ LYS 18 2.762 4.283 -17.398 149 H ARG 19 H ARG 19 -1.229 1.367 -11.310 150 HA ARG 19 HA ARG 19 -3.351 2.172 -12.998 151 1HB ARG 19 1HB ARG 19 -3.121 0.438 -10.923 152 2HB ARG 19 2HB ARG 19 -4.009 1.744 -10.137 153 1HG ARG 19 1HG ARG 19 -5.695 1.680 -11.937 154 2HG ARG 19 2HG ARG 19 -4.810 0.370 -12.719 155 1HD ARG 19 1HD ARG 19 -5.106 -0.494 -10.083 156 2HD ARG 19 2HD ARG 19 -6.653 0.263 -10.459 157 HE ARG 19 HE ARG 19 -6.026 -2.281 -11.323 158 1HH1 ARG 19 1HH1 ARG 19 -7.858 0.286 -12.356 159 2HH1 ARG 19 2HH1 ARG 19 -7.939 -0.190 -14.019 160 1HH2 ARG 19 1HH2 ARG 19 -5.578 -2.709 -13.692 161 2HH2 ARG 19 2HH2 ARG 19 -6.650 -1.885 -14.775 162 H HIS 20 H HIS 20 -1.920 3.776 -10.203 163 HA HIS 20 HA HIS 20 -3.869 6.014 -10.581 164 1HB HIS 20 2HB HIS 20 -4.093 6.169 -8.339 165 2HB HIS 20 1HB HIS 20 -2.356 6.126 -8.099 166 HD1 HIS 20 HD1 HIS 20 -5.397 3.989 -8.004 167 HD2 HIS 20 HD2 HIS 20 -1.276 3.461 -7.743 168 HE1 HIS 20 HE1 HIS 20 -5.002 1.663 -7.079 169 H GLY 21 H GLY 21 -0.934 5.279 -11.647 170 1HA GLY 21 1HA GLY 21 1.037 6.491 -12.100 171 2HA GLY 21 2HA GLY 21 -0.027 7.902 -12.115 172 H VAL 22 H VAL 22 1.038 5.648 -9.563 173 HA VAL 22 HA VAL 22 1.768 8.043 -7.932 174 HB VAL 22 HB VAL 22 1.352 6.188 -6.057 175 1HG1 VAL 22 1HG1 VAL 22 -0.642 7.941 -7.496 176 2HG1 VAL 22 2HG1 VAL 22 -1.053 7.072 -6.013 177 3HG1 VAL 22 3HG1 VAL 22 0.229 8.285 -6.000 178 1HG2 VAL 22 1HG2 VAL 22 0.740 4.587 -7.992 179 2HG2 VAL 22 2HG2 VAL 22 -0.317 4.631 -6.585 180 3HG2 VAL 22 3HG2 VAL 22 -0.777 5.488 -8.058 181 H ASN 23 H ASN 23 3.321 7.381 -6.064 182 HA ASN 23 HA ASN 23 5.540 5.808 -7.294 183 1HB ASN 23 1HB ASN 23 5.389 8.264 -5.696 184 2HB ASN 23 2HB ASN 23 6.604 7.128 -5.111 185 2HD2 ASN 23 2HD2 ASN 23 7.358 9.606 -6.329 186 1HD2 ASN 23 1HD2 ASN 23 8.119 9.268 -7.808 187 H ILE 24 H ILE 24 5.017 3.726 -6.594 188 HA ILE 24 HA ILE 24 4.033 2.981 -4.077 189 HB ILE 24 HB ILE 24 6.000 1.438 -5.788 190 1HG1 ILE 24 1HG1 ILE 24 3.982 2.206 -6.972 191 2HG1 ILE 24 2HG1 ILE 24 3.976 0.464 -6.747 192 1HG2 ILE 24 1HG2 ILE 24 4.353 0.822 -3.389 193 2HG2 ILE 24 2HG2 ILE 24 4.382 -0.390 -4.682 194 3HG2 ILE 24 3HG2 ILE 24 5.888 0.117 -3.907 195 1HD1 ILE 24 1HD1 ILE 24 2.560 2.401 -4.875 196 2HD1 ILE 24 2HD1 ILE 24 1.766 1.546 -6.203 197 3HD1 ILE 24 3HD1 ILE 24 2.459 0.623 -4.866 198 H LYS 25 H LYS 25 7.252 4.061 -4.953 199 HA LYS 25 HA LYS 25 8.630 3.054 -2.648 200 1HB LYS 25 1HB LYS 25 10.165 5.020 -3.011 201 2HB LYS 25 2HB LYS 25 9.946 4.005 -4.433 202 1HG LYS 25 1HG LYS 25 7.889 5.837 -4.679 203 2HG LYS 25 2HG LYS 25 9.197 6.812 -4.011 204 1HD LYS 25 1HD LYS 25 10.261 5.068 -6.033 205 2HD LYS 25 2HD LYS 25 8.883 5.949 -6.693 206 1HE LYS 25 1HE LYS 25 9.852 8.075 -6.031 207 2HE LYS 25 2HE LYS 25 11.173 7.253 -5.197 208 1HZ LYS 25 1HZ LYS 25 11.132 6.240 -7.765 209 2HZ LYS 25 2HZ LYS 25 10.937 7.920 -7.937 210 3HZ LYS 25 3HZ LYS 25 12.279 7.299 -7.100 211 H ASP 26 H ASP 26 6.673 5.968 -3.254 212 HA ASP 26 HA ASP 26 7.053 7.146 -0.667 213 1HB ASP 26 2HB ASP 26 5.021 8.407 -1.102 214 2HB ASP 26 1HB ASP 26 4.558 7.290 -2.378 215 H VAL 27 H VAL 27 4.836 4.784 -2.027 216 HA VAL 27 HA VAL 27 3.192 4.391 0.277 217 HB VAL 27 HB VAL 27 4.141 2.237 -1.630 218 1HG1 VAL 27 1HG1 VAL 27 2.251 2.380 0.598 219 2HG1 VAL 27 2HG1 VAL 27 1.507 1.791 -0.892 220 3HG1 VAL 27 3HG1 VAL 27 2.914 0.965 -0.222 221 1HG2 VAL 27 1HG2 VAL 27 3.155 4.359 -2.651 222 2HG2 VAL 27 2HG2 VAL 27 2.333 2.852 -3.063 223 3HG2 VAL 27 3HG2 VAL 27 1.650 3.930 -1.845 224 H MET 28 H MET 28 6.319 2.930 -0.642 225 HA MET 28 HA MET 28 6.519 1.386 1.822 226 1HB MET 28 2HB MET 28 8.710 0.806 1.079 227 2HB MET 28 1HB MET 28 8.828 2.246 0.066 228 1HG MET 28 1HG MET 28 6.542 0.478 -0.552 229 2HG MET 28 2HG MET 28 7.668 1.283 -1.643 230 1HE MET 28 1HE MET 28 10.167 0.863 -0.858 231 2HE MET 28 2HE MET 28 10.889 -0.751 -0.897 232 3HE MET 28 3HE MET 28 10.239 -0.037 -2.370 233 H ARG 29 H ARG 29 6.921 4.668 0.974 234 HA ARG 29 HA ARG 29 8.953 5.344 2.939 235 1HB ARG 29 1HB ARG 29 8.335 6.722 0.887 236 2HB ARG 29 2HB ARG 29 6.876 7.201 1.755 237 1HG ARG 29 1HG ARG 29 8.169 8.210 3.523 238 2HG ARG 29 2HG ARG 29 9.671 7.563 2.860 239 1HD ARG 29 1HD ARG 29 8.457 8.968 0.741 240 2HD ARG 29 2HD ARG 29 8.282 10.002 2.159 241 HE ARG 29 HE ARG 29 10.671 10.164 2.295 242 1HH1 ARG 29 1HH1 ARG 29 11.741 7.571 1.769 243 2HH1 ARG 29 2HH1 ARG 29 12.308 7.648 0.134 244 1HH2 ARG 29 1HH2 ARG 29 10.456 10.471 -0.655 245 2HH2 ARG 29 2HH2 ARG 29 11.581 9.293 -1.238 246 H TRP 30 H TRP 30 5.368 5.469 2.866 247 HA TRP 30 HA TRP 30 5.322 6.446 5.649 248 1HB TRP 30 2HB TRP 30 2.940 6.471 5.458 249 2HB TRP 30 1HB TRP 30 2.973 5.369 4.080 250 HD1 TRP 30 HD1 TRP 30 4.357 8.881 4.958 251 HE1 TRP 30 HE1 TRP 30 4.237 10.329 2.824 252 HE3 TRP 30 HE3 TRP 30 2.520 5.443 1.691 253 HZ2 TRP 30 HZ2 TRP 30 3.455 10.048 0.081 254 HZ3 TRP 30 HZ3 TRP 30 2.093 6.043 -0.665 255 HH2 TRP 30 HH2 TRP 30 2.557 8.340 -1.484 256 H ASN 31 H ASN 31 4.729 3.392 3.926 257 HA ASN 31 HA ASN 31 4.177 2.055 6.510 258 1HB ASN 31 2HB ASN 31 3.689 0.083 5.173 259 2HB ASN 31 1HB ASN 31 4.300 0.879 3.720 260 2HD2 ASN 31 2HD2 ASN 31 2.996 2.669 2.825 261 1HD2 ASN 31 1HD2 ASN 31 1.369 2.863 3.264 262 H SER 32 H SER 32 5.638 0.755 7.529 263 HA SER 32 HA SER 32 8.390 0.728 6.453 264 1HB SER 32 1HB SER 32 8.249 1.337 8.773 265 2HB SER 32 2HB SER 32 7.220 -0.047 9.131 266 HG SER 32 HG SER 32 8.945 -1.235 9.289 267 H ASP 33 H ASP 33 6.819 -1.782 8.331 268 HA ASP 33 HA ASP 33 7.920 -3.834 6.553 269 1HB ASP 33 2HB ASP 33 6.946 -5.422 8.137 270 2HB ASP 33 1HB ASP 33 6.020 -4.130 8.904 271 H THR 34 H THR 34 6.863 -4.000 4.607 272 HA THR 34 HA THR 34 3.966 -3.530 4.466 273 HB THR 34 HB THR 34 4.412 -4.149 1.997 274 HG1 THR 34 HG1 THR 34 6.372 -4.693 1.530 275 1HG2 THR 34 1HG2 THR 34 5.430 -1.778 3.513 276 2HG2 THR 34 2HG2 THR 34 5.782 -1.894 1.789 277 3HG2 THR 34 3HG2 THR 34 4.110 -1.878 2.351 278 H ALA 35 H ALA 35 4.627 -5.772 6.087 279 HA ALA 35 HA ALA 35 4.415 -8.236 4.618 280 1HB ALA 35 3HB ALA 35 4.784 -9.115 6.659 281 2HB ALA 35 1HB ALA 35 4.762 -7.479 7.316 282 3HB ALA 35 2HB ALA 35 3.277 -8.427 7.264 283 H ASN 36 H ASN 36 2.189 -5.749 5.127 284 HA ASN 36 HA ASN 36 -0.176 -7.468 5.248 285 1HB ASN 36 1HB ASN 36 0.328 -4.511 5.139 286 2HB ASN 36 2HB ASN 36 -1.275 -5.131 4.743 287 2HD2 ASN 36 2HD2 ASN 36 -1.506 -3.693 6.926 288 1HD2 ASN 36 1HD2 ASN 36 -1.468 -4.602 8.358 289 H LEU 37 H LEU 37 1.976 -6.785 2.801 290 HA LEU 37 HA LEU 37 -0.028 -6.320 0.700 291 1HB LEU 37 1HB LEU 37 2.954 -6.847 0.643 292 2HB LEU 37 2HB LEU 37 1.976 -6.772 -0.826 293 HG LEU 37 HG LEU 37 1.451 -4.510 -0.523 294 1HD1 LEU 37 1HD1 LEU 37 2.337 -4.891 2.343 295 2HD1 LEU 37 2HD1 LEU 37 2.052 -3.306 1.635 296 3HD1 LEU 37 3HD1 LEU 37 0.729 -4.464 1.764 297 1HD2 LEU 37 1HD2 LEU 37 4.270 -5.023 0.445 298 2HD2 LEU 37 2HD2 LEU 37 3.744 -4.675 -1.201 299 3HD2 LEU 37 3HD2 LEU 37 3.674 -3.414 0.031 300 H GLN 38 H GLN 38 -1.208 -8.304 1.520 301 HA GLN 38 HA GLN 38 -0.066 -10.818 0.410 302 1HB GLN 38 1HB GLN 38 -2.505 -10.776 2.152 303 2HB GLN 38 2HB GLN 38 -1.235 -11.997 2.037 304 1HG GLN 38 1HG GLN 38 0.291 -10.081 3.002 305 2HG GLN 38 2HG GLN 38 -1.241 -9.411 3.562 306 2HE2 GLN 38 2HE2 GLN 38 -2.609 -11.889 4.124 307 1HE2 GLN 38 1HE2 GLN 38 -1.824 -12.636 5.431 308 HA PRO 39 HA PRO 39 -3.111 -10.780 -2.654 309 1HB PRO 39 1HB PRO 39 -3.976 -13.407 -2.711 310 2HB PRO 39 2HB PRO 39 -2.439 -12.852 -3.397 311 1HG PRO 39 2HG PRO 39 -1.516 -14.357 -1.893 312 2HG PRO 39 1HG PRO 39 -2.936 -14.310 -0.832 313 1HD PRO 39 1HD PRO 39 -1.661 -12.917 0.501 314 2HD PRO 39 2HD PRO 39 -0.503 -12.592 -0.808 315 H GLY 40 H GLY 40 -4.531 -9.417 -1.458 316 1HA GLY 40 1HA GLY 40 -7.081 -9.491 -1.321 317 2HA GLY 40 2HA GLY 40 -6.838 -10.803 -0.168 318 H ASP 41 H ASP 41 -4.427 -8.300 0.037 319 HA ASP 41 HA ASP 41 -5.873 -7.280 2.463 320 1HB ASP 41 1HB ASP 41 -3.155 -8.180 2.033 321 2HB ASP 41 2HB ASP 41 -3.171 -6.513 2.602 322 H LYS 42 H LYS 42 -5.726 -4.978 2.898 323 HA LYS 42 HA LYS 42 -5.744 -3.385 0.443 324 1HB LYS 42 1HB LYS 42 -6.285 -2.756 3.349 325 2HB LYS 42 2HB LYS 42 -6.313 -1.524 2.088 326 1HG LYS 42 2HG LYS 42 -7.849 -3.560 1.005 327 2HG LYS 42 1HG LYS 42 -8.479 -2.107 1.783 328 1HD LYS 42 1HD LYS 42 -8.257 -4.891 2.840 329 2HD LYS 42 2HD LYS 42 -8.021 -3.568 3.982 330 1HE LYS 42 1HE LYS 42 -10.211 -2.635 2.761 331 2HE LYS 42 2HE LYS 42 -10.472 -4.356 2.475 332 1HZ LYS 42 1HZ LYS 42 -10.010 -4.647 4.922 333 2HZ LYS 42 2HZ LYS 42 -10.159 -2.965 5.068 334 3HZ LYS 42 3HZ LYS 42 -11.477 -3.888 4.525 335 H LEU 43 H LEU 43 -4.456 -1.440 0.186 336 HA LEU 43 HA LEU 43 -1.957 -1.351 1.798 337 1HB LEU 43 1HB LEU 43 -2.235 -2.239 -0.914 338 2HB LEU 43 2HB LEU 43 -1.316 -0.737 -0.901 339 HG LEU 43 HG LEU 43 -0.689 -3.350 0.467 340 1HD1 LEU 43 1HD1 LEU 43 0.501 -1.545 -1.572 341 2HD1 LEU 43 2HD1 LEU 43 1.615 -2.414 -0.517 342 3HD1 LEU 43 3HD1 LEU 43 0.463 -3.306 -1.509 343 1HD2 LEU 43 1HD2 LEU 43 -0.165 -0.635 1.470 344 2HD2 LEU 43 2HD2 LEU 43 -0.005 -2.188 2.298 345 3HD2 LEU 43 3HD2 LEU 43 1.299 -1.597 1.267 346 H THR 44 H THR 44 -1.307 0.733 2.231 347 HA THR 44 HA THR 44 -3.050 2.912 1.562 348 HB THR 44 HB THR 44 -0.544 2.563 3.122 349 HG1 THR 44 HG1 THR 44 -2.820 4.156 3.618 350 1HG2 THR 44 1HG2 THR 44 -1.467 5.228 2.002 351 2HG2 THR 44 2HG2 THR 44 -0.327 5.057 3.337 352 3HG2 THR 44 3HG2 THR 44 0.103 4.462 1.729 353 H LEU 45 H LEU 45 -2.990 4.112 -0.267 354 HA LEU 45 HA LEU 45 -0.418 4.222 -1.783 355 1HB LEU 45 1HB LEU 45 -3.264 4.056 -2.707 356 2HB LEU 45 2HB LEU 45 -2.131 4.997 -3.675 357 HG LEU 45 HG LEU 45 -1.452 2.195 -2.816 358 1HD1 LEU 45 1HD1 LEU 45 -3.052 3.119 -5.213 359 2HD1 LEU 45 2HD1 LEU 45 -2.351 1.508 -5.052 360 3HD1 LEU 45 3HD1 LEU 45 -3.608 2.041 -3.933 361 1HD2 LEU 45 1HD2 LEU 45 -0.623 4.085 -5.030 362 2HD2 LEU 45 2HD2 LEU 45 0.400 3.434 -3.744 363 3HD2 LEU 45 3HD2 LEU 45 -0.197 2.375 -5.030 364 H PHE 46 H PHE 46 -0.548 5.935 0.268 365 HA PHE 46 HA PHE 46 -1.930 8.379 -0.015 366 1HB PHE 46 1HB PHE 46 0.611 7.522 1.266 367 2HB PHE 46 2HB PHE 46 0.458 9.246 0.942 368 HD1 PHE 46 HD1 PHE 46 -2.471 9.634 1.288 369 HD2 PHE 46 HD2 PHE 46 0.342 7.345 3.592 370 HE1 PHE 46 HE1 PHE 46 -3.916 9.872 3.290 371 HE2 PHE 46 HE2 PHE 46 -1.103 7.583 5.592 372 HZ PHE 46 HZ PHE 46 -3.232 8.845 5.440 373 H VAL 47 H VAL 47 0.643 7.002 -1.791 374 HA VAL 47 HA VAL 47 2.083 8.938 -3.009 375 HB VAL 47 HB VAL 47 1.716 7.486 -5.145 376 1HG1 VAL 47 1HG1 VAL 47 2.792 6.532 -2.504 377 2HG1 VAL 47 2HG1 VAL 47 2.890 5.511 -3.944 378 3HG1 VAL 47 3HG1 VAL 47 3.681 7.096 -3.917 379 1HG2 VAL 47 1HG2 VAL 47 -0.486 6.567 -4.403 380 2HG2 VAL 47 2HG2 VAL 47 0.705 5.293 -4.699 381 3HG2 VAL 47 3HG2 VAL 47 0.328 5.787 -3.050 382 H LYS 48 H LYS 48 1.738 10.611 -4.434 383 HA LYS 48 HA LYS 48 -1.068 11.329 -4.994 384 1HB LYS 48 1HB LYS 48 1.409 12.752 -4.646 385 2HB LYS 48 2HB LYS 48 0.712 13.177 -6.209 386 1HG LYS 48 1HG LYS 48 -1.490 13.552 -5.018 387 2HG LYS 48 2HG LYS 48 -0.618 13.368 -3.495 388 1HD LYS 48 1HD LYS 48 0.968 15.190 -4.377 389 2HD LYS 48 2HD LYS 48 -0.265 15.505 -5.600 390 1HE LYS 48 1HE LYS 48 -1.477 16.686 -4.118 391 2HE LYS 48 2HE LYS 48 -1.526 15.303 -3.023 392 1HZ LYS 48 1HZ LYS 48 0.680 15.949 -2.216 393 2HZ LYS 48 2HZ LYS 48 0.641 17.325 -3.213 394 3HZ LYS 48 3HZ LYS 48 -0.478 17.163 -1.947 No H/Q in entry = 394 Start of MODEL 12 1 H1 ASP 1 1H ASP 1 -9.198 10.167 -0.275 2 H2 ASP 1 2H ASP 1 -9.553 10.120 1.386 3 H3 ASP 1 3H ASP 1 -9.998 11.472 0.465 4 HA ASP 1 HA ASP 1 -7.834 12.242 0.268 5 1HB ASP 1 1HB ASP 1 -8.657 12.556 2.543 6 2HB ASP 1 2HB ASP 1 -8.131 10.932 2.988 7 H SER 2 H SER 2 -7.681 8.982 1.754 8 HA SER 2 HA SER 2 -4.970 8.670 0.554 9 1HB SER 2 1HB SER 2 -4.523 7.067 2.207 10 2HB SER 2 2HB SER 2 -5.527 8.229 3.068 11 HG SER 2 HG SER 2 -7.267 6.883 2.822 12 H ILE 3 H ILE 3 -4.540 6.912 -0.830 13 HA ILE 3 HA ILE 3 -6.906 5.755 -2.109 14 HB ILE 3 HB ILE 3 -3.971 5.704 -2.828 15 1HG1 ILE 3 1HG1 ILE 3 -6.377 7.088 -4.048 16 2HG1 ILE 3 2HG1 ILE 3 -5.032 7.866 -3.210 17 1HG2 ILE 3 1HG2 ILE 3 -5.243 3.624 -3.509 18 2HG2 ILE 3 2HG2 ILE 3 -6.291 4.663 -4.472 19 3HG2 ILE 3 3HG2 ILE 3 -4.571 4.547 -4.855 20 1HD1 ILE 3 1HD1 ILE 3 -4.480 6.094 -5.578 21 2HD1 ILE 3 2HD1 ILE 3 -5.010 7.757 -5.832 22 3HD1 ILE 3 3HD1 ILE 3 -3.523 7.431 -4.941 23 H THR 4 H THR 4 -7.462 3.603 -1.889 24 HA THR 4 HA THR 4 -5.532 1.852 -0.419 25 HB THR 4 HB THR 4 -8.557 1.825 -0.190 26 HG1 THR 4 HG1 THR 4 -7.525 2.316 2.108 27 1HG2 THR 4 1HG2 THR 4 -7.224 -0.359 0.076 28 2HG2 THR 4 2HG2 THR 4 -6.539 0.374 1.525 29 3HG2 THR 4 3HG2 THR 4 -8.277 0.096 1.417 30 H TYR 5 H TYR 5 -4.850 0.328 -1.863 31 HA TYR 5 HA TYR 5 -6.876 -0.653 -3.823 32 1HB TYR 5 1HB TYR 5 -5.333 -0.619 -5.498 33 2HB TYR 5 2HB TYR 5 -4.652 0.651 -4.496 34 HD1 TYR 5 HD1 TYR 5 -4.407 -3.074 -5.080 35 HD2 TYR 5 HD2 TYR 5 -2.462 0.521 -3.754 36 HE1 TYR 5 HE1 TYR 5 -2.254 -4.252 -5.038 37 HE2 TYR 5 HE2 TYR 5 -0.303 -0.684 -3.684 38 HH TYR 5 HH TYR 5 -0.086 -4.092 -4.703 39 H ARG 6 H ARG 6 -7.172 -2.821 -4.041 40 HA ARG 6 HA ARG 6 -5.916 -4.489 -1.962 41 1HB ARG 6 1HB ARG 6 -8.432 -4.519 -3.425 42 2HB ARG 6 2HB ARG 6 -7.644 -6.098 -3.464 43 1HG ARG 6 1HG ARG 6 -7.465 -6.128 -1.040 44 2HG ARG 6 2HG ARG 6 -8.096 -4.484 -0.938 45 1HD ARG 6 1HD ARG 6 -9.595 -6.898 -1.995 46 2HD ARG 6 2HD ARG 6 -9.874 -6.104 -0.445 47 HE ARG 6 HE ARG 6 -10.713 -5.099 -3.076 48 1HH1 ARG 6 1HH1 ARG 6 -10.279 -2.594 -2.731 49 2HH1 ARG 6 2HH1 ARG 6 -11.160 -1.989 -1.368 50 1HH2 ARG 6 1HH2 ARG 6 -11.764 -5.128 -0.026 51 2HH2 ARG 6 2HH2 ARG 6 -12.001 -3.423 0.163 52 H VAL 7 H VAL 7 -4.221 -5.681 -2.394 53 HA VAL 7 HA VAL 7 -3.186 -5.914 -5.105 54 HB VAL 7 HB VAL 7 -2.211 -7.361 -2.637 55 1HG1 VAL 7 1HG1 VAL 7 -1.248 -6.924 -5.335 56 2HG1 VAL 7 2HG1 VAL 7 -0.118 -6.237 -4.155 57 3HG1 VAL 7 3HG1 VAL 7 -0.577 -7.945 -4.061 58 1HG2 VAL 7 1HG2 VAL 7 -2.568 -4.532 -3.014 59 2HG2 VAL 7 2HG2 VAL 7 -1.820 -5.380 -1.646 60 3HG2 VAL 7 3HG2 VAL 7 -0.826 -4.900 -3.028 61 H ARG 8 H ARG 8 -4.167 -7.360 -6.443 62 HA ARG 8 HA ARG 8 -5.193 -9.910 -5.301 63 1HB ARG 8 1HB ARG 8 -5.677 -8.439 -7.895 64 2HB ARG 8 2HB ARG 8 -6.164 -10.122 -7.684 65 1HG ARG 8 1HG ARG 8 -7.452 -9.459 -5.655 66 2HG ARG 8 2HG ARG 8 -7.034 -7.775 -5.972 67 1HD ARG 8 1HD ARG 8 -9.072 -7.874 -7.058 68 2HD ARG 8 2HD ARG 8 -8.008 -8.358 -8.380 69 HE ARG 8 HE ARG 8 -8.839 -10.583 -8.187 70 1HH1 ARG 8 1HH1 ARG 8 -8.880 -11.516 -5.592 71 2HH1 ARG 8 2HH1 ARG 8 -10.499 -11.315 -5.011 72 1HH2 ARG 8 1HH2 ARG 8 -11.377 -9.024 -7.464 73 2HH2 ARG 8 2HH2 ARG 8 -11.913 -9.903 -6.071 74 H LYS 9 H LYS 9 -4.708 -11.935 -6.546 75 HA LYS 9 HA LYS 9 -1.935 -12.331 -6.912 76 1HB LYS 9 1HB LYS 9 -4.247 -13.844 -8.163 77 2HB LYS 9 2HB LYS 9 -2.570 -14.388 -8.176 78 1HG LYS 9 1HG LYS 9 -2.557 -14.345 -5.693 79 2HG LYS 9 2HG LYS 9 -4.257 -13.873 -5.709 80 1HD LYS 9 1HD LYS 9 -4.915 -16.003 -6.017 81 2HD LYS 9 2HD LYS 9 -3.829 -16.191 -7.394 82 1HE LYS 9 1HE LYS 9 -2.900 -17.737 -5.942 83 2HE LYS 9 2HE LYS 9 -1.984 -16.302 -5.484 84 1HZ LYS 9 1HZ LYS 9 -3.643 -15.894 -3.738 85 2HZ LYS 9 2HZ LYS 9 -4.420 -17.347 -4.147 86 3HZ LYS 9 3HZ LYS 9 -2.838 -17.372 -3.528 87 H GLY 10 H GLY 10 -0.578 -12.063 -8.650 88 1HA GLY 10 1HA GLY 10 0.006 -11.692 -10.943 89 2HA GLY 10 2HA GLY 10 -1.701 -11.444 -11.312 90 H ASP 11 H ASP 11 -1.644 -9.591 -8.759 91 HA ASP 11 HA ASP 11 -1.130 -7.144 -10.285 92 1HB ASP 11 1HB ASP 11 -2.110 -7.662 -7.469 93 2HB ASP 11 2HB ASP 11 -1.840 -6.043 -8.107 94 H SER 12 H SER 12 0.642 -5.829 -10.046 95 HA SER 12 HA SER 12 2.701 -6.735 -8.076 96 1HB SER 12 1HB SER 12 2.965 -6.464 -10.804 97 2HB SER 12 2HB SER 12 3.568 -4.915 -10.223 98 HG SER 12 HG SER 12 4.907 -6.142 -8.770 99 H LEU 13 H LEU 13 3.614 -5.181 -6.730 100 HA LEU 13 HA LEU 13 2.107 -2.962 -5.846 101 1HB LEU 13 1HB LEU 13 5.019 -3.702 -5.679 102 2HB LEU 13 2HB LEU 13 4.455 -2.168 -5.029 103 HG LEU 13 HG LEU 13 4.496 -4.029 -3.331 104 1HD1 LEU 13 1HD1 LEU 13 2.335 -2.219 -3.969 105 2HD1 LEU 13 2HD1 LEU 13 1.717 -3.676 -3.181 106 3HD1 LEU 13 3HD1 LEU 13 2.958 -2.695 -2.388 107 1HD2 LEU 13 1HD2 LEU 13 3.721 -5.789 -5.023 108 2HD2 LEU 13 2HD2 LEU 13 2.924 -5.826 -3.450 109 3HD2 LEU 13 3HD2 LEU 13 2.100 -5.112 -4.835 110 H SER 14 H SER 14 5.022 -2.800 -7.926 111 HA SER 14 HA SER 14 4.706 -0.039 -8.521 112 1HB SER 14 1HB SER 14 6.616 -1.894 -9.076 113 2HB SER 14 2HB SER 14 5.857 -1.742 -10.658 114 HG SER 14 HG SER 14 6.785 0.406 -9.044 115 H SER 15 H SER 15 3.545 -2.951 -10.232 116 HA SER 15 HA SER 15 2.422 -1.690 -12.500 117 1HB SER 15 1HB SER 15 2.350 -3.973 -12.756 118 2HB SER 15 2HB SER 15 1.960 -4.249 -11.062 119 HG SER 15 HG SER 15 -0.099 -4.086 -11.512 120 H ILE 16 H ILE 16 0.965 -2.393 -9.377 121 HA ILE 16 HA ILE 16 -1.621 -1.335 -9.917 122 HB ILE 16 HB ILE 16 -0.019 -1.685 -7.382 123 1HG1 ILE 16 2HG1 ILE 16 -1.871 -3.245 -8.938 124 2HG1 ILE 16 1HG1 ILE 16 -2.593 -2.910 -7.364 125 1HG2 ILE 16 1HG2 ILE 16 -2.378 0.013 -7.861 126 2HG2 ILE 16 2HG2 ILE 16 -2.576 -1.144 -6.549 127 3HG2 ILE 16 3HG2 ILE 16 -1.249 0.015 -6.505 128 1HD1 ILE 16 1HD1 ILE 16 0.069 -3.536 -6.787 129 2HD1 ILE 16 2HD1 ILE 16 -1.327 -4.585 -6.546 130 3HD1 ILE 16 3HD1 ILE 16 -0.393 -4.690 -8.037 131 H ALA 17 H ALA 17 1.341 0.201 -8.628 132 HA ALA 17 HA ALA 17 0.341 2.807 -8.195 133 1HB ALA 17 2HB ALA 17 2.804 3.203 -9.454 134 2HB ALA 17 1HB ALA 17 2.943 1.608 -8.718 135 3HB ALA 17 3HB ALA 17 2.534 3.008 -7.724 136 H LYS 18 H LYS 18 1.612 1.357 -11.221 137 HA LYS 18 HA LYS 18 1.366 3.565 -12.934 138 1HB LYS 18 1HB LYS 18 1.372 0.635 -13.257 139 2HB LYS 18 2HB LYS 18 0.557 1.507 -14.556 140 1HG LYS 18 2HG LYS 18 2.781 3.052 -14.210 141 2HG LYS 18 1HG LYS 18 2.660 1.749 -15.394 142 1HD LYS 18 2HD LYS 18 3.317 0.602 -12.854 143 2HD LYS 18 1HD LYS 18 4.425 1.940 -13.156 144 1HE LYS 18 1HE LYS 18 4.636 0.913 -15.544 145 2HE LYS 18 2HE LYS 18 5.488 0.127 -14.213 146 1HZ LYS 18 1HZ LYS 18 2.750 -0.663 -15.011 147 2HZ LYS 18 2HZ LYS 18 4.127 -1.349 -15.727 148 3HZ LYS 18 3HZ LYS 18 3.862 -1.527 -14.060 149 H ARG 19 H ARG 19 -1.173 1.372 -11.788 150 HA ARG 19 HA ARG 19 -3.286 2.184 -13.491 151 1HB ARG 19 1HB ARG 19 -3.261 0.330 -11.703 152 2HB ARG 19 2HB ARG 19 -3.635 1.606 -10.545 153 1HG ARG 19 2HG ARG 19 -5.477 2.167 -12.443 154 2HG ARG 19 1HG ARG 19 -5.791 1.073 -11.095 155 1HD ARG 19 1HD ARG 19 -6.452 -0.001 -13.190 156 2HD ARG 19 2HD ARG 19 -4.851 0.287 -13.871 157 HE ARG 19 HE ARG 19 -4.892 -1.285 -11.382 158 1HH1 ARG 19 1HH1 ARG 19 -6.116 -2.070 -14.328 159 2HH1 ARG 19 2HH1 ARG 19 -4.947 -3.283 -14.727 160 1HH2 ARG 19 1HH2 ARG 19 -2.829 -2.487 -12.099 161 2HH2 ARG 19 2HH2 ARG 19 -3.086 -3.520 -13.464 162 H HIS 20 H HIS 20 -1.865 3.759 -10.676 163 HA HIS 20 HA HIS 20 -3.785 6.023 -11.052 164 1HB HIS 20 2HB HIS 20 -3.980 6.186 -8.806 165 2HB HIS 20 1HB HIS 20 -2.244 6.105 -8.581 166 HD1 HIS 20 HD1 HIS 20 -5.328 4.021 -8.495 167 HD2 HIS 20 HD2 HIS 20 -1.219 3.428 -8.216 168 HE1 HIS 20 HE1 HIS 20 -4.975 1.685 -7.578 169 H GLY 21 H GLY 21 -0.853 5.243 -12.122 170 1HA GLY 21 1HA GLY 21 1.121 6.437 -12.602 171 2HA GLY 21 2HA GLY 21 0.077 7.866 -12.594 172 H VAL 22 H VAL 22 1.117 5.575 -10.066 173 HA VAL 22 HA VAL 22 1.913 7.942 -8.426 174 HB VAL 22 HB VAL 22 1.459 6.108 -6.552 175 1HG1 VAL 22 1HG1 VAL 22 -0.292 8.057 -7.969 176 2HG1 VAL 22 2HG1 VAL 22 -1.063 6.973 -6.807 177 3HG1 VAL 22 3HG1 VAL 22 0.244 8.040 -6.289 178 1HG2 VAL 22 1HG2 VAL 22 0.831 4.511 -8.505 179 2HG2 VAL 22 2HG2 VAL 22 -0.195 4.545 -7.074 180 3HG2 VAL 22 3HG2 VAL 22 -0.688 5.411 -8.532 181 H ASN 23 H ASN 23 3.454 7.238 -6.572 182 HA ASN 23 HA ASN 23 5.616 5.588 -7.806 183 1HB ASN 23 2HB ASN 23 7.188 6.895 -6.639 184 2HB ASN 23 1HB ASN 23 5.987 7.461 -5.477 185 2HD2 ASN 23 2HD2 ASN 23 7.035 7.783 -8.880 186 1HD2 ASN 23 1HD2 ASN 23 6.281 9.280 -9.140 187 H ILE 24 H ILE 24 5.065 3.536 -7.067 188 HA ILE 24 HA ILE 24 4.071 2.852 -4.535 189 HB ILE 24 HB ILE 24 6.001 1.237 -6.224 190 1HG1 ILE 24 1HG1 ILE 24 4.007 2.053 -7.426 191 2HG1 ILE 24 2HG1 ILE 24 3.962 0.314 -7.190 192 1HG2 ILE 24 1HG2 ILE 24 4.302 0.692 -3.841 193 2HG2 ILE 24 2HG2 ILE 24 4.334 -0.535 -5.118 194 3HG2 ILE 24 3HG2 ILE 24 5.834 -0.048 -4.318 195 1HD1 ILE 24 1HD1 ILE 24 2.571 2.304 -5.353 196 2HD1 ILE 24 2HD1 ILE 24 1.772 1.428 -6.665 197 3HD1 ILE 24 3HD1 ILE 24 2.445 0.527 -5.307 198 H LYS 25 H LYS 25 7.285 3.883 -5.442 199 HA LYS 25 HA LYS 25 8.701 2.898 -3.152 200 1HB LYS 25 1HB LYS 25 10.040 5.142 -3.545 201 2HB LYS 25 2HB LYS 25 10.172 3.819 -4.700 202 1HG LYS 25 1HG LYS 25 8.805 4.884 -6.274 203 2HG LYS 25 2HG LYS 25 8.041 5.910 -5.062 204 1HD LYS 25 2HD LYS 25 10.700 6.625 -4.862 205 2HD LYS 25 1HD LYS 25 9.472 7.516 -5.761 206 1HE LYS 25 2HE LYS 25 11.091 5.244 -6.945 207 2HE LYS 25 1HE LYS 25 11.550 6.940 -7.094 208 1HZ LYS 25 1HZ LYS 25 9.208 7.267 -7.990 209 2HZ LYS 25 2HZ LYS 25 10.326 6.495 -9.005 210 3HZ LYS 25 3HZ LYS 25 9.160 5.579 -8.176 211 H ASP 26 H ASP 26 6.771 5.837 -3.752 212 HA ASP 26 HA ASP 26 7.148 7.000 -1.164 213 1HB ASP 26 1HB ASP 26 4.704 7.177 -2.945 214 2HB ASP 26 2HB ASP 26 5.083 8.252 -1.607 215 H VAL 27 H VAL 27 4.907 4.659 -2.521 216 HA VAL 27 HA VAL 27 3.251 4.305 -0.219 217 HB VAL 27 HB VAL 27 4.167 2.130 -2.119 218 1HG1 VAL 27 1HG1 VAL 27 2.213 2.346 0.074 219 2HG1 VAL 27 2HG1 VAL 27 1.560 1.656 -1.415 220 3HG1 VAL 27 3HG1 VAL 27 2.955 0.911 -0.635 221 1HG2 VAL 27 1HG2 VAL 27 3.246 4.203 -3.212 222 2HG2 VAL 27 2HG2 VAL 27 2.285 2.752 -3.505 223 3HG2 VAL 27 3HG2 VAL 27 1.751 3.942 -2.317 224 H MET 28 H MET 28 6.358 2.798 -1.130 225 HA MET 28 HA MET 28 6.535 1.260 1.338 226 1HB MET 28 2HB MET 28 8.787 0.733 0.613 227 2HB MET 28 1HB MET 28 8.783 2.077 -0.530 228 1HG MET 28 1HG MET 28 6.636 -0.003 -0.748 229 2HG MET 28 2HG MET 28 7.370 0.981 -2.013 230 1HE MET 28 1HE MET 28 6.540 -1.706 -2.156 231 2HE MET 28 2HE MET 28 7.690 -1.797 -3.487 232 3HE MET 28 3HE MET 28 7.727 -3.006 -2.196 233 H ARG 29 H ARG 29 6.962 4.530 0.485 234 HA ARG 29 HA ARG 29 9.010 5.202 2.435 235 1HB ARG 29 1HB ARG 29 8.328 6.560 0.361 236 2HB ARG 29 2HB ARG 29 6.935 7.088 1.304 237 1HG ARG 29 1HG ARG 29 8.506 7.880 3.086 238 2HG ARG 29 2HG ARG 29 9.853 7.482 2.018 239 1HD ARG 29 1HD ARG 29 7.672 9.526 1.550 240 2HD ARG 29 2HD ARG 29 9.404 9.817 1.698 241 HE ARG 29 HE ARG 29 8.037 9.035 -0.720 242 1HH1 ARG 29 1HH1 ARG 29 10.941 10.108 0.320 243 2HH1 ARG 29 2HH1 ARG 29 11.923 9.098 -0.687 244 1HH2 ARG 29 1HH2 ARG 29 9.288 7.077 -1.689 245 2HH2 ARG 29 2HH2 ARG 29 10.987 7.382 -1.825 246 H TRP 30 H TRP 30 5.424 5.347 2.373 247 HA TRP 30 HA TRP 30 5.386 6.317 5.158 248 1HB TRP 30 2HB TRP 30 2.997 6.334 4.971 249 2HB TRP 30 1HB TRP 30 3.035 5.256 3.577 250 HD1 TRP 30 HD1 TRP 30 4.401 8.757 4.520 251 HE1 TRP 30 HE1 TRP 30 4.295 10.237 2.408 252 HE3 TRP 30 HE3 TRP 30 2.608 5.363 1.182 253 HZ2 TRP 30 HZ2 TRP 30 3.542 9.997 -0.345 254 HZ3 TRP 30 HZ3 TRP 30 2.203 5.999 -1.169 255 HH2 TRP 30 HH2 TRP 30 2.667 8.310 -1.945 256 H ASN 31 H ASN 31 4.807 3.268 3.429 257 HA ASN 31 HA ASN 31 4.227 1.924 6.001 258 1HB ASN 31 2HB ASN 31 3.798 -0.060 4.633 259 2HB ASN 31 1HB ASN 31 4.375 0.785 3.195 260 2HD2 ASN 31 2HD2 ASN 31 3.019 2.554 2.349 261 1HD2 ASN 31 1HD2 ASN 31 1.391 2.699 2.807 262 H SER 32 H SER 32 5.670 0.606 7.024 263 HA SER 32 HA SER 32 8.408 0.478 5.866 264 1HB SER 32 1HB SER 32 9.175 0.040 8.149 265 2HB SER 32 2HB SER 32 8.178 1.492 8.125 266 HG SER 32 HG SER 32 7.828 -0.527 9.658 267 H ASP 33 H ASP 33 5.726 -1.440 6.898 268 HA ASP 33 HA ASP 33 7.240 -3.897 6.134 269 1HB ASP 33 2HB ASP 33 6.130 -5.134 7.814 270 2HB ASP 33 1HB ASP 33 4.882 -3.903 8.018 271 H THR 34 H THR 34 6.502 -3.821 3.966 272 HA THR 34 HA THR 34 3.609 -3.610 3.468 273 HB THR 34 HB THR 34 4.340 -3.910 1.062 274 HG1 THR 34 HG1 THR 34 6.236 -4.885 1.086 275 1HG2 THR 34 1HG2 THR 34 4.142 -1.700 2.404 276 2HG2 THR 34 2HG2 THR 34 5.905 -1.717 2.409 277 3HG2 THR 34 3HG2 THR 34 5.027 -1.666 0.880 278 H ALA 35 H ALA 35 4.853 -5.967 4.946 279 HA ALA 35 HA ALA 35 4.685 -8.258 3.225 280 1HB ALA 35 1HB ALA 35 5.822 -8.265 5.448 281 2HB ALA 35 3HB ALA 35 4.631 -9.558 5.294 282 3HB ALA 35 2HB ALA 35 4.244 -8.108 6.221 283 H ASN 36 H ASN 36 2.297 -6.115 4.250 284 HA ASN 36 HA ASN 36 0.159 -8.085 4.537 285 1HB ASN 36 1HB ASN 36 0.502 -5.242 4.972 286 2HB ASN 36 2HB ASN 36 -0.947 -5.547 4.015 287 2HD2 ASN 36 2HD2 ASN 36 0.380 -5.701 7.200 288 1HD2 ASN 36 1HD2 ASN 36 -0.926 -6.491 7.941 289 H LEU 37 H LEU 37 1.922 -7.112 1.904 290 HA LEU 37 HA LEU 37 -0.253 -6.619 0.033 291 1HB LEU 37 1HB LEU 37 2.687 -7.250 -0.299 292 2HB LEU 37 2HB LEU 37 1.597 -7.143 -1.683 293 HG LEU 37 HG LEU 37 1.318 -4.876 -1.474 294 1HD1 LEU 37 1HD1 LEU 37 1.855 -5.207 1.488 295 2HD1 LEU 37 2HD1 LEU 37 1.586 -3.656 0.703 296 3HD1 LEU 37 3HD1 LEU 37 0.304 -4.864 0.725 297 1HD2 LEU 37 1HD2 LEU 37 3.961 -5.419 -0.102 298 2HD2 LEU 37 2HD2 LEU 37 3.689 -5.131 -1.820 299 3HD2 LEU 37 3HD2 LEU 37 3.460 -3.822 -0.660 300 H GLN 38 H GLN 38 -1.539 -8.486 0.724 301 HA GLN 38 HA GLN 38 -0.597 -11.089 -0.364 302 1HB GLN 38 1HB GLN 38 -2.979 -10.652 1.453 303 2HB GLN 38 2HB GLN 38 -2.102 -12.151 1.155 304 1HG GLN 38 1HG GLN 38 -0.654 -9.799 2.341 305 2HG GLN 38 2HG GLN 38 -1.654 -10.821 3.372 306 2HE2 GLN 38 2HE2 GLN 38 -1.198 -13.326 2.931 307 1HE2 GLN 38 1HE2 GLN 38 0.442 -13.745 2.810 308 HA PRO 39 HA PRO 39 -3.606 -10.782 -3.461 309 1HB PRO 39 1HB PRO 39 -4.676 -13.333 -3.541 310 2HB PRO 39 2HB PRO 39 -3.095 -12.897 -4.214 311 1HG PRO 39 2HG PRO 39 -2.303 -14.479 -2.716 312 2HG PRO 39 1HG PRO 39 -3.723 -14.332 -1.665 313 1HD PRO 39 1HD PRO 39 -2.359 -13.051 -0.309 314 2HD PRO 39 2HD PRO 39 -1.163 -12.813 -1.603 315 H GLY 40 H GLY 40 -4.917 -9.321 -2.262 316 1HA GLY 40 1HA GLY 40 -7.448 -9.142 -2.103 317 2HA GLY 40 2HA GLY 40 -7.348 -10.523 -1.009 318 H ASP 41 H ASP 41 -4.716 -8.246 -0.746 319 HA ASP 41 HA ASP 41 -5.956 -7.290 1.810 320 1HB ASP 41 1HB ASP 41 -3.374 -8.314 1.172 321 2HB ASP 41 2HB ASP 41 -3.184 -6.623 1.635 322 H LYS 42 H LYS 42 -5.799 -5.028 2.332 323 HA LYS 42 HA LYS 42 -5.914 -3.295 -0.026 324 1HB LYS 42 1HB LYS 42 -6.352 -2.881 2.932 325 2HB LYS 42 2HB LYS 42 -6.334 -1.529 1.802 326 1HG LYS 42 1HG LYS 42 -8.288 -2.190 0.759 327 2HG LYS 42 2HG LYS 42 -8.029 -3.896 1.127 328 1HD LYS 42 1HD LYS 42 -8.570 -3.505 3.481 329 2HD LYS 42 2HD LYS 42 -8.753 -1.777 3.172 330 1HE LYS 42 1HE LYS 42 -10.636 -2.191 1.689 331 2HE LYS 42 2HE LYS 42 -10.409 -3.934 1.834 332 1HZ LYS 42 1HZ LYS 42 -10.587 -3.204 4.399 333 2HZ LYS 42 2HZ LYS 42 -11.627 -2.069 3.679 334 3HZ LYS 42 3HZ LYS 42 -11.908 -3.728 3.467 335 H LEU 43 H LEU 43 -4.559 -1.444 -0.336 336 HA LEU 43 HA LEU 43 -2.034 -1.397 1.245 337 1HB LEU 43 1HB LEU 43 -2.380 -2.240 -1.492 338 2HB LEU 43 2HB LEU 43 -1.363 -0.803 -1.430 339 HG LEU 43 HG LEU 43 -0.934 -3.473 -0.083 340 1HD1 LEU 43 1HD1 LEU 43 0.369 -1.799 -2.163 341 2HD1 LEU 43 2HD1 LEU 43 1.423 -2.748 -1.117 342 3HD1 LEU 43 3HD1 LEU 43 0.182 -3.550 -2.079 343 1HD2 LEU 43 1HD2 LEU 43 -0.175 -0.810 0.893 344 2HD2 LEU 43 2HD2 LEU 43 -0.102 -2.369 1.718 345 3HD2 LEU 43 3HD2 LEU 43 1.212 -1.873 0.652 346 H THR 44 H THR 44 -1.334 0.668 1.666 347 HA THR 44 HA THR 44 -3.036 2.885 1.021 348 HB THR 44 HB THR 44 -0.535 2.465 2.562 349 HG1 THR 44 HG1 THR 44 -2.927 3.939 2.924 350 1HG2 THR 44 1HG2 THR 44 -1.349 5.160 1.431 351 2HG2 THR 44 2HG2 THR 44 -0.195 4.941 2.745 352 3HG2 THR 44 3HG2 THR 44 0.177 4.320 1.134 353 H LEU 45 H LEU 45 -2.906 4.245 -0.700 354 HA LEU 45 HA LEU 45 -0.368 4.247 -2.278 355 1HB LEU 45 1HB LEU 45 -3.218 4.129 -3.201 356 2HB LEU 45 2HB LEU 45 -2.058 5.031 -4.175 357 HG LEU 45 HG LEU 45 -1.456 2.220 -3.287 358 1HD1 LEU 45 1HD1 LEU 45 -3.025 3.170 -5.693 359 2HD1 LEU 45 2HD1 LEU 45 -2.359 1.545 -5.530 360 3HD1 LEU 45 3HD1 LEU 45 -3.605 2.105 -4.413 361 1HD2 LEU 45 1HD2 LEU 45 -0.565 4.071 -5.509 362 2HD2 LEU 45 2HD2 LEU 45 0.435 3.392 -4.218 363 3HD2 LEU 45 3HD2 LEU 45 -0.191 2.350 -5.502 364 H PHE 46 H PHE 46 -0.453 5.967 -0.241 365 HA PHE 46 HA PHE 46 -1.808 8.435 -0.565 366 1HB PHE 46 1HB PHE 46 0.723 7.575 0.763 367 2HB PHE 46 2HB PHE 46 0.506 9.301 0.488 368 HD1 PHE 46 HD1 PHE 46 -2.423 9.597 0.796 369 HD2 PHE 46 HD2 PHE 46 0.395 7.279 3.067 370 HE1 PHE 46 HE1 PHE 46 -3.918 9.714 2.772 371 HE2 PHE 46 HE2 PHE 46 -1.102 7.395 5.040 372 HZ PHE 46 HZ PHE 46 -3.257 8.613 4.893 373 H VAL 47 H VAL 47 0.719 6.974 -2.319 374 HA VAL 47 HA VAL 47 2.269 8.838 -3.486 375 HB VAL 47 HB VAL 47 1.819 7.445 -5.660 376 1HG1 VAL 47 1HG1 VAL 47 2.933 6.464 -3.047 377 2HG1 VAL 47 2HG1 VAL 47 2.954 5.421 -4.476 378 3HG1 VAL 47 3HG1 VAL 47 3.799 6.979 -4.494 379 1HG2 VAL 47 1HG2 VAL 47 0.390 5.798 -3.547 380 2HG2 VAL 47 2HG2 VAL 47 -0.379 6.552 -4.940 381 3HG2 VAL 47 3HG2 VAL 47 0.792 5.245 -5.169 382 H LYS 48 H LYS 48 -1.114 8.297 -4.293 383 HA LYS 48 HA LYS 48 -1.040 10.724 -6.024 384 1HB LYS 48 1HB LYS 48 -2.351 8.191 -6.268 385 2HB LYS 48 2HB LYS 48 -3.590 9.436 -6.129 386 1HG LYS 48 1HG LYS 48 -1.476 10.366 -7.855 387 2HG LYS 48 2HG LYS 48 -2.058 8.797 -8.414 388 1HD LYS 48 2HD LYS 48 -4.352 10.279 -7.667 389 2HD LYS 48 1HD LYS 48 -3.854 9.820 -9.295 390 1HE LYS 48 1HE LYS 48 -3.372 12.392 -7.817 391 2HE LYS 48 2HE LYS 48 -2.241 11.888 -9.074 392 1HZ LYS 48 1HZ LYS 48 -5.164 11.959 -9.529 393 2HZ LYS 48 2HZ LYS 48 -4.182 13.321 -9.786 394 3HZ LYS 48 3HZ LYS 48 -3.920 11.902 -10.681 No H/Q in entry = 394 Start of MODEL 13 1 H1 ASP 1 1H ASP 1 -8.431 10.846 -0.475 2 H2 ASP 1 2H ASP 1 -9.664 10.919 0.690 3 H3 ASP 1 3H ASP 1 -9.139 12.338 -0.076 4 HA ASP 1 HA ASP 1 -7.411 12.610 1.287 5 1HB ASP 1 1HB ASP 1 -9.416 10.925 2.621 6 2HB ASP 1 2HB ASP 1 -7.817 10.837 3.363 7 H SER 2 H SER 2 -7.809 9.120 1.919 8 HA SER 2 HA SER 2 -4.979 8.771 1.013 9 1HB SER 2 1HB SER 2 -4.613 7.236 2.750 10 2HB SER 2 2HB SER 2 -5.626 8.448 3.527 11 HG SER 2 HG SER 2 -6.258 6.170 3.783 12 H ILE 3 H ILE 3 -4.569 7.023 -0.359 13 HA ILE 3 HA ILE 3 -6.934 5.817 -1.590 14 HB ILE 3 HB ILE 3 -4.005 5.720 -2.340 15 1HG1 ILE 3 1HG1 ILE 3 -6.373 7.202 -3.522 16 2HG1 ILE 3 2HG1 ILE 3 -5.010 7.927 -2.667 17 1HG2 ILE 3 1HG2 ILE 3 -5.302 3.693 -3.042 18 2HG2 ILE 3 2HG2 ILE 3 -6.408 4.754 -3.915 19 3HG2 ILE 3 3HG2 ILE 3 -4.715 4.651 -4.402 20 1HD1 ILE 3 1HD1 ILE 3 -4.338 6.166 -4.971 21 2HD1 ILE 3 2HD1 ILE 3 -5.088 7.715 -5.356 22 3HD1 ILE 3 3HD1 ILE 3 -3.581 7.670 -4.443 23 H THR 4 H THR 4 -7.383 3.606 -1.484 24 HA THR 4 HA THR 4 -5.465 1.923 0.071 25 HB THR 4 HB THR 4 -8.484 1.919 0.372 26 HG1 THR 4 HG1 THR 4 -7.836 2.621 2.534 27 1HG2 THR 4 1HG2 THR 4 -6.558 -0.086 0.875 28 2HG2 THR 4 2HG2 THR 4 -6.985 0.587 2.447 29 3HG2 THR 4 3HG2 THR 4 -8.242 -0.065 1.397 30 H TYR 5 H TYR 5 -4.810 0.356 -1.345 31 HA TYR 5 HA TYR 5 -6.883 -0.697 -3.223 32 1HB TYR 5 1HB TYR 5 -5.389 -0.711 -4.948 33 2HB TYR 5 2HB TYR 5 -4.714 0.620 -4.021 34 HD1 TYR 5 HD1 TYR 5 -4.377 -3.109 -4.515 35 HD2 TYR 5 HD2 TYR 5 -2.512 0.555 -3.258 36 HE1 TYR 5 HE1 TYR 5 -2.202 -4.237 -4.453 37 HE2 TYR 5 HE2 TYR 5 -0.324 -0.598 -3.193 38 HH TYR 5 HH TYR 5 -0.028 -4.001 -4.189 39 H ARG 6 H ARG 6 -7.157 -2.866 -3.359 40 HA ARG 6 HA ARG 6 -5.795 -4.463 -1.300 41 1HB ARG 6 1HB ARG 6 -7.511 -6.039 -1.534 42 2HB ARG 6 2HB ARG 6 -8.349 -4.534 -1.892 43 1HG ARG 6 1HG ARG 6 -7.131 -6.289 -4.041 44 2HG ARG 6 2HG ARG 6 -8.805 -6.435 -3.511 45 1HD ARG 6 1HD ARG 6 -8.773 -3.796 -3.934 46 2HD ARG 6 2HD ARG 6 -7.498 -4.249 -5.064 47 HE ARG 6 HE ARG 6 -9.229 -5.858 -6.051 48 1HH1 ARG 6 1HH1 ARG 6 -9.634 -2.610 -5.738 49 2HH1 ARG 6 2HH1 ARG 6 -11.364 -2.603 -5.836 50 1HH2 ARG 6 1HH2 ARG 6 -11.661 -6.045 -5.545 51 2HH2 ARG 6 2HH2 ARG 6 -12.510 -4.548 -5.729 52 H VAL 7 H VAL 7 -4.213 -5.853 -1.700 53 HA VAL 7 HA VAL 7 -3.141 -5.983 -4.433 54 HB VAL 7 HB VAL 7 -2.090 -7.324 -1.932 55 1HG1 VAL 7 1HG1 VAL 7 -1.183 -7.005 -4.671 56 2HG1 VAL 7 2HG1 VAL 7 -0.033 -6.274 -3.538 57 3HG1 VAL 7 3HG1 VAL 7 -0.490 -7.975 -3.368 58 1HG2 VAL 7 1HG2 VAL 7 -2.486 -4.524 -2.451 59 2HG2 VAL 7 2HG2 VAL 7 -1.696 -5.288 -1.057 60 3HG2 VAL 7 3HG2 VAL 7 -0.739 -4.876 -2.488 61 H ARG 8 H ARG 8 -4.086 -7.470 -5.730 62 HA ARG 8 HA ARG 8 -5.072 -10.010 -4.538 63 1HB ARG 8 1HB ARG 8 -5.939 -8.305 -6.685 64 2HB ARG 8 2HB ARG 8 -5.617 -9.920 -7.318 65 1HG ARG 8 1HG ARG 8 -7.034 -10.900 -5.553 66 2HG ARG 8 2HG ARG 8 -7.356 -9.288 -4.914 67 1HD ARG 8 1HD ARG 8 -9.202 -10.031 -6.366 68 2HD ARG 8 2HD ARG 8 -8.377 -8.640 -7.069 69 HE ARG 8 HE ARG 8 -7.546 -10.055 -8.799 70 1HH1 ARG 8 1HH1 ARG 8 -6.608 -12.385 -7.278 71 2HH1 ARG 8 2HH1 ARG 8 -7.751 -13.617 -7.695 72 1HH2 ARG 8 1HH2 ARG 8 -10.111 -11.385 -8.911 73 2HH2 ARG 8 2HH2 ARG 8 -9.736 -13.051 -8.621 74 H LYS 9 H LYS 9 -4.587 -12.055 -5.719 75 HA LYS 9 HA LYS 9 -1.816 -12.471 -6.072 76 1HB LYS 9 2HB LYS 9 -2.363 -14.616 -7.001 77 2HB LYS 9 1HB LYS 9 -3.969 -14.067 -7.481 78 1HG LYS 9 1HG LYS 9 -3.582 -13.605 -4.658 79 2HG LYS 9 2HG LYS 9 -4.801 -14.598 -5.455 80 1HD LYS 9 1HD LYS 9 -2.425 -16.062 -5.702 81 2HD LYS 9 2HD LYS 9 -2.390 -15.425 -4.057 82 1HE LYS 9 1HE LYS 9 -4.849 -16.221 -3.910 83 2HE LYS 9 2HE LYS 9 -4.479 -17.180 -5.343 84 1HZ LYS 9 1HZ LYS 9 -2.380 -17.716 -3.771 85 2HZ LYS 9 2HZ LYS 9 -3.602 -17.528 -2.611 86 3HZ LYS 9 3HZ LYS 9 -3.781 -18.674 -3.851 87 H GLY 10 H GLY 10 -0.461 -12.306 -7.828 88 1HA GLY 10 1HA GLY 10 0.154 -11.971 -10.106 89 2HA GLY 10 2HA GLY 10 -1.554 -11.818 -10.516 90 H ASP 11 H ASP 11 -1.303 -9.849 -7.919 91 HA ASP 11 HA ASP 11 -1.102 -7.458 -9.616 92 1HB ASP 11 1HB ASP 11 -1.799 -7.897 -6.709 93 2HB ASP 11 2HB ASP 11 -1.605 -6.288 -7.398 94 H SER 12 H SER 12 0.418 -5.758 -9.199 95 HA SER 12 HA SER 12 2.795 -6.625 -7.606 96 1HB SER 12 1HB SER 12 2.588 -5.792 -10.417 97 2HB SER 12 2HB SER 12 3.804 -4.896 -9.509 98 HG SER 12 HG SER 12 4.911 -6.651 -10.011 99 H LEU 13 H LEU 13 3.611 -5.075 -6.247 100 HA LEU 13 HA LEU 13 2.077 -2.890 -5.331 101 1HB LEU 13 1HB LEU 13 5.009 -3.566 -5.228 102 2HB LEU 13 2HB LEU 13 4.425 -2.046 -4.564 103 HG LEU 13 HG LEU 13 4.544 -3.887 -2.861 104 1HD1 LEU 13 1HD1 LEU 13 2.299 -2.174 -3.481 105 2HD1 LEU 13 2HD1 LEU 13 1.761 -3.645 -2.656 106 3HD1 LEU 13 3HD1 LEU 13 2.976 -2.600 -1.907 107 1HD2 LEU 13 1HD2 LEU 13 3.798 -5.676 -4.553 108 2HD2 LEU 13 2HD2 LEU 13 3.069 -5.754 -2.951 109 3HD2 LEU 13 3HD2 LEU 13 2.157 -5.072 -4.296 110 H SER 14 H SER 14 4.939 -2.680 -7.479 111 HA SER 14 HA SER 14 4.540 0.073 -8.084 112 1HB SER 14 1HB SER 14 6.297 -0.170 -9.575 113 2HB SER 14 2HB SER 14 6.553 -1.598 -8.579 114 HG SER 14 HG SER 14 5.928 -1.414 -11.195 115 H SER 15 H SER 15 3.344 -2.894 -9.651 116 HA SER 15 HA SER 15 2.198 -1.722 -11.961 117 1HB SER 15 1HB SER 15 2.334 -4.112 -11.848 118 2HB SER 15 2HB SER 15 1.403 -4.149 -10.353 119 HG SER 15 HG SER 15 -0.277 -4.296 -11.591 120 H ILE 16 H ILE 16 0.731 -2.389 -8.827 121 HA ILE 16 HA ILE 16 -1.829 -1.282 -9.366 122 HB ILE 16 HB ILE 16 -0.240 -1.574 -6.809 123 1HG1 ILE 16 2HG1 ILE 16 -2.046 -3.218 -8.369 124 2HG1 ILE 16 1HG1 ILE 16 -2.724 -2.928 -6.768 125 1HG2 ILE 16 1HG2 ILE 16 -2.592 0.070 -7.363 126 2HG2 ILE 16 2HG2 ILE 16 -2.894 -1.135 -6.116 127 3HG2 ILE 16 3HG2 ILE 16 -1.577 0.021 -5.921 128 1HD1 ILE 16 1HD1 ILE 16 -0.013 -3.438 -6.299 129 2HD1 ILE 16 2HD1 ILE 16 -1.355 -4.545 -6.004 130 3HD1 ILE 16 3HD1 ILE 16 -0.481 -4.608 -7.534 131 H ALA 17 H ALA 17 1.160 0.229 -8.107 132 HA ALA 17 HA ALA 17 0.208 2.849 -7.674 133 1HB ALA 17 2HB ALA 17 2.649 3.175 -9.024 134 2HB ALA 17 1HB ALA 17 2.774 1.611 -8.221 135 3HB ALA 17 3HB ALA 17 2.412 3.061 -7.279 136 H LYS 18 H LYS 18 1.376 1.357 -10.715 137 HA LYS 18 HA LYS 18 1.138 3.534 -12.459 138 1HB LYS 18 1HB LYS 18 1.573 0.802 -12.733 139 2HB LYS 18 2HB LYS 18 0.087 1.078 -13.643 140 1HG LYS 18 2HG LYS 18 1.696 3.235 -14.347 141 2HG LYS 18 1HG LYS 18 1.403 1.799 -15.329 142 1HD LYS 18 1HD LYS 18 3.855 2.655 -14.115 143 2HD LYS 18 2HD LYS 18 3.372 1.128 -13.375 144 1HE LYS 18 1HE LYS 18 2.840 0.666 -16.036 145 2HE LYS 18 2HE LYS 18 4.286 1.672 -16.118 146 1HZ LYS 18 1HZ LYS 18 4.738 -0.117 -14.075 147 2HZ LYS 18 2HZ LYS 18 4.032 -1.038 -15.316 148 3HZ LYS 18 3HZ LYS 18 5.439 -0.136 -15.619 149 H ARG 19 H ARG 19 -1.430 1.401 -11.256 150 HA ARG 19 HA ARG 19 -3.556 2.262 -12.914 151 1HB ARG 19 1HB ARG 19 -3.639 0.381 -11.247 152 2HB ARG 19 2HB ARG 19 -3.729 1.586 -9.963 153 1HG ARG 19 1HG ARG 19 -5.746 2.533 -11.321 154 2HG ARG 19 2HG ARG 19 -5.757 0.948 -12.092 155 1HD ARG 19 1HD ARG 19 -6.332 1.674 -9.247 156 2HD ARG 19 2HD ARG 19 -7.164 0.529 -10.298 157 HE ARG 19 HE ARG 19 -4.683 -0.012 -8.769 158 1HH1 ARG 19 1HH1 ARG 19 -6.539 -0.964 -11.497 159 2HH1 ARG 19 2HH1 ARG 19 -6.401 -2.657 -11.172 160 1HH2 ARG 19 1HH2 ARG 19 -4.735 -2.231 -8.163 161 2HH2 ARG 19 2HH2 ARG 19 -5.382 -3.374 -9.292 162 H HIS 20 H HIS 20 -2.048 3.819 -10.134 163 HA HIS 20 HA HIS 20 -3.948 6.105 -10.472 164 1HB HIS 20 2HB HIS 20 -4.118 6.258 -8.226 165 2HB HIS 20 1HB HIS 20 -2.377 6.176 -8.026 166 HD1 HIS 20 HD1 HIS 20 -5.463 4.109 -7.869 167 HD2 HIS 20 HD2 HIS 20 -1.351 3.485 -7.702 168 HE1 HIS 20 HE1 HIS 20 -5.100 1.769 -6.962 169 H GLY 21 H GLY 21 -1.051 5.302 -11.602 170 1HA GLY 21 1HA GLY 21 0.941 6.469 -12.086 171 2HA GLY 21 2HA GLY 21 -0.094 7.902 -12.092 172 H VAL 22 H VAL 22 0.960 5.637 -9.548 173 HA VAL 22 HA VAL 22 1.762 8.021 -7.934 174 HB VAL 22 HB VAL 22 1.345 6.184 -6.047 175 1HG1 VAL 22 1HG1 VAL 22 -0.642 7.956 -7.469 176 2HG1 VAL 22 2HG1 VAL 22 -1.052 7.095 -5.983 177 3HG1 VAL 22 3HG1 VAL 22 0.247 8.290 -5.983 178 1HG2 VAL 22 1HG2 VAL 22 0.690 4.571 -7.956 179 2HG2 VAL 22 2HG2 VAL 22 -0.356 4.648 -6.539 180 3HG2 VAL 22 3HG2 VAL 22 -0.814 5.491 -8.021 181 H ASN 23 H ASN 23 3.327 7.332 -6.087 182 HA ASN 23 HA ASN 23 5.488 5.704 -7.351 183 1HB ASN 23 1HB ASN 23 5.438 8.202 -5.844 184 2HB ASN 23 2HB ASN 23 6.592 7.048 -5.179 185 2HD2 ASN 23 2HD2 ASN 23 7.598 5.747 -7.393 186 1HD2 ASN 23 1HD2 ASN 23 8.315 6.849 -8.465 187 H ILE 24 H ILE 24 4.968 3.645 -6.618 188 HA ILE 24 HA ILE 24 4.011 2.944 -4.071 189 HB ILE 24 HB ILE 24 5.911 1.349 -5.811 190 1HG1 ILE 24 1HG1 ILE 24 3.883 2.158 -6.958 191 2HG1 ILE 24 2HG1 ILE 24 3.855 0.417 -6.730 192 1HG2 ILE 24 1HG2 ILE 24 4.285 0.779 -3.385 193 2HG2 ILE 24 2HG2 ILE 24 4.278 -0.436 -4.673 194 3HG2 ILE 24 3HG2 ILE 24 5.803 0.046 -3.917 195 1HD1 ILE 24 1HD1 ILE 24 2.510 2.375 -4.833 196 2HD1 ILE 24 2HD1 ILE 24 1.674 1.537 -6.149 197 3HD1 ILE 24 3HD1 ILE 24 2.373 0.598 -4.830 198 H LYS 25 H LYS 25 7.212 3.979 -5.028 199 HA LYS 25 HA LYS 25 8.644 2.977 -2.750 200 1HB LYS 25 1HB LYS 25 10.034 5.167 -3.157 201 2HB LYS 25 2HB LYS 25 10.093 3.871 -4.346 202 1HG LYS 25 1HG LYS 25 8.969 5.087 -5.918 203 2HG LYS 25 2HG LYS 25 7.911 5.837 -4.727 204 1HD LYS 25 2HD LYS 25 9.836 7.261 -3.991 205 2HD LYS 25 1HD LYS 25 9.352 7.551 -5.663 206 1HE LYS 25 1HE LYS 25 11.805 6.207 -4.597 207 2HE LYS 25 2HE LYS 25 11.156 5.653 -6.140 208 1HZ LYS 25 1HZ LYS 25 11.096 8.408 -6.231 209 2HZ LYS 25 2HZ LYS 25 12.606 8.016 -5.560 210 3HZ LYS 25 3HZ LYS 25 12.158 7.379 -7.067 211 H ASP 26 H ASP 26 6.692 5.897 -3.335 212 HA ASP 26 HA ASP 26 7.124 7.089 -0.764 213 1HB ASP 26 2HB ASP 26 5.103 8.369 -1.169 214 2HB ASP 26 1HB ASP 26 4.592 7.238 -2.415 215 H VAL 27 H VAL 27 4.856 4.738 -2.063 216 HA VAL 27 HA VAL 27 3.257 4.379 0.277 217 HB VAL 27 HB VAL 27 4.143 2.205 -1.637 218 1HG1 VAL 27 1HG1 VAL 27 2.296 2.382 0.630 219 2HG1 VAL 27 2HG1 VAL 27 1.530 1.768 -0.839 220 3HG1 VAL 27 3HG1 VAL 27 2.948 0.956 -0.177 221 1HG2 VAL 27 1HG2 VAL 27 3.133 4.351 -2.619 222 2HG2 VAL 27 2HG2 VAL 27 2.337 2.835 -3.047 223 3HG2 VAL 27 3HG2 VAL 27 1.640 3.882 -1.807 224 H MET 28 H MET 28 6.349 2.893 -0.697 225 HA MET 28 HA MET 28 6.595 1.362 1.772 226 1HB MET 28 2HB MET 28 8.852 0.873 0.989 227 2HB MET 28 1HB MET 28 8.755 2.170 -0.203 228 1HG MET 28 1HG MET 28 7.477 -0.530 -0.217 229 2HG MET 28 2HG MET 28 6.570 0.801 -0.936 230 1HE MET 28 1HE MET 28 9.909 -1.022 -0.700 231 2HE MET 28 2HE MET 28 10.841 -0.456 -2.083 232 3HE MET 28 3HE MET 28 10.497 0.639 -0.736 233 H ARG 29 H ARG 29 6.995 4.630 0.894 234 HA ARG 29 HA ARG 29 9.098 5.304 2.787 235 1HB ARG 29 1HB ARG 29 8.412 6.664 0.733 236 2HB ARG 29 2HB ARG 29 7.002 7.175 1.662 237 1HG ARG 29 1HG ARG 29 8.543 7.996 3.455 238 2HG ARG 29 2HG ARG 29 9.907 7.608 2.406 239 1HD ARG 29 1HD ARG 29 7.770 9.233 1.157 240 2HD ARG 29 2HD ARG 29 8.682 10.036 2.433 241 HE ARG 29 HE ARG 29 10.165 8.692 0.229 242 1HH1 ARG 29 1HH1 ARG 29 11.272 10.533 2.454 243 2HH1 ARG 29 2HH1 ARG 29 11.554 11.981 1.547 244 1HH2 ARG 29 1HH2 ARG 29 9.632 10.975 -1.159 245 2HH2 ARG 29 2HH2 ARG 29 10.625 12.232 -0.500 246 H TRP 30 H TRP 30 5.516 5.442 2.806 247 HA TRP 30 HA TRP 30 5.535 6.448 5.577 248 1HB TRP 30 1HB TRP 30 3.158 5.343 4.065 249 2HB TRP 30 2HB TRP 30 3.143 6.445 5.440 250 HD1 TRP 30 HD1 TRP 30 4.558 8.857 4.907 251 HE1 TRP 30 HE1 TRP 30 4.390 10.303 2.776 252 HE3 TRP 30 HE3 TRP 30 2.630 5.423 1.688 253 HZ2 TRP 30 HZ2 TRP 30 3.543 10.024 0.053 254 HZ3 TRP 30 HZ3 TRP 30 2.149 6.024 -0.658 255 HH2 TRP 30 HH2 TRP 30 2.601 8.319 -1.488 256 H ASN 31 H ASN 31 4.883 3.376 3.901 257 HA ASN 31 HA ASN 31 4.587 2.071 6.560 258 1HB ASN 31 1HB ASN 31 4.225 0.808 3.838 259 2HB ASN 31 2HB ASN 31 3.694 0.182 5.399 260 2HD2 ASN 31 2HD2 ASN 31 2.997 2.605 2.901 261 1HD2 ASN 31 1HD2 ASN 31 1.471 3.040 3.502 262 H SER 32 H SER 32 6.146 0.733 7.336 263 HA SER 32 HA SER 32 8.647 0.514 5.771 264 1HB SER 32 1HB SER 32 8.032 -0.201 8.645 265 2HB SER 32 2HB SER 32 9.619 -0.333 7.893 266 HG SER 32 HG SER 32 8.348 1.836 8.894 267 H ASP 33 H ASP 33 7.256 -1.801 8.016 268 HA ASP 33 HA ASP 33 7.996 -4.021 6.275 269 1HB ASP 33 1HB ASP 33 6.441 -3.865 8.874 270 2HB ASP 33 2HB ASP 33 6.763 -5.381 8.033 271 H THR 34 H THR 34 6.784 -3.994 4.387 272 HA THR 34 HA THR 34 3.906 -3.438 4.495 273 HB THR 34 HB THR 34 4.189 -4.132 1.974 274 HG1 THR 34 HG1 THR 34 6.149 -4.864 1.724 275 1HG2 THR 34 1HG2 THR 34 5.395 -1.664 3.245 276 2HG2 THR 34 2HG2 THR 34 5.091 -1.827 1.515 277 3HG2 THR 34 3HG2 THR 34 3.744 -1.858 2.652 278 H ALA 35 H ALA 35 4.426 -5.655 6.070 279 HA ALA 35 HA ALA 35 4.162 -8.144 4.654 280 1HB ALA 35 3HB ALA 35 4.792 -8.658 6.787 281 2HB ALA 35 1HB ALA 35 4.010 -7.229 7.462 282 3HB ALA 35 2HB ALA 35 3.056 -8.664 7.093 283 H ASN 36 H ASN 36 2.000 -5.577 5.113 284 HA ASN 36 HA ASN 36 -0.425 -7.195 5.200 285 1HB ASN 36 1HB ASN 36 0.111 -4.615 5.893 286 2HB ASN 36 2HB ASN 36 -0.610 -4.385 4.299 287 2HD2 ASN 36 2HD2 ASN 36 -1.225 -6.210 7.353 288 1HD2 ASN 36 1HD2 ASN 36 -2.913 -6.071 7.267 289 H LEU 37 H LEU 37 1.802 -6.691 2.776 290 HA LEU 37 HA LEU 37 -0.159 -6.266 0.618 291 1HB LEU 37 1HB LEU 37 2.818 -6.826 0.627 292 2HB LEU 37 2HB LEU 37 1.861 -6.786 -0.857 293 HG LEU 37 HG LEU 37 1.364 -4.506 -0.631 294 1HD1 LEU 37 1HD1 LEU 37 2.192 -4.824 2.260 295 2HD1 LEU 37 2HD1 LEU 37 1.962 -3.249 1.502 296 3HD1 LEU 37 3HD1 LEU 37 0.608 -4.370 1.635 297 1HD2 LEU 37 1HD2 LEU 37 4.160 -5.031 0.395 298 2HD2 LEU 37 2HD2 LEU 37 3.665 -4.722 -1.267 299 3HD2 LEU 37 3HD2 LEU 37 3.594 -3.427 -0.073 300 H GLN 38 H GLN 38 -1.369 -8.202 1.493 301 HA GLN 38 HA GLN 38 -0.232 -10.772 0.520 302 1HB GLN 38 2HB GLN 38 -1.431 -11.859 2.181 303 2HB GLN 38 1HB GLN 38 -2.718 -10.653 2.181 304 1HG GLN 38 1HG GLN 38 0.023 -9.839 3.088 305 2HG GLN 38 2HG GLN 38 -1.551 -9.218 3.589 306 2HE2 GLN 38 1HE2 GLN 38 0.767 -10.420 5.213 307 1HE2 GLN 38 2HE2 GLN 38 0.036 -11.642 6.135 308 HA PRO 39 HA PRO 39 -3.220 -10.839 -2.603 309 1HB PRO 39 1HB PRO 39 -4.078 -13.470 -2.576 310 2HB PRO 39 2HB PRO 39 -2.527 -12.939 -3.250 311 1HG PRO 39 2HG PRO 39 -1.634 -14.384 -1.671 312 2HG PRO 39 1HG PRO 39 -3.078 -14.303 -0.644 313 1HD PRO 39 1HD PRO 39 -1.844 -12.854 0.665 314 2HD PRO 39 2HD PRO 39 -0.648 -12.583 -0.622 315 H GLY 40 H GLY 40 -4.661 -9.440 -1.477 316 1HA GLY 40 1HA GLY 40 -7.200 -9.469 -1.352 317 2HA GLY 40 2HA GLY 40 -6.998 -10.788 -0.197 318 H ASP 41 H ASP 41 -4.563 -8.304 0.008 319 HA ASP 41 HA ASP 41 -5.983 -7.270 2.445 320 1HB ASP 41 1HB ASP 41 -3.166 -7.983 1.875 321 2HB ASP 41 2HB ASP 41 -3.410 -6.516 2.820 322 H LYS 42 H LYS 42 -5.828 -4.965 2.854 323 HA LYS 42 HA LYS 42 -5.803 -3.400 0.380 324 1HB LYS 42 1HB LYS 42 -6.720 -3.033 3.167 325 2HB LYS 42 2HB LYS 42 -6.158 -1.568 2.362 326 1HG LYS 42 1HG LYS 42 -8.580 -1.929 1.990 327 2HG LYS 42 2HG LYS 42 -7.676 -2.002 0.477 328 1HD LYS 42 1HD LYS 42 -7.630 -4.489 0.668 329 2HD LYS 42 2HD LYS 42 -8.633 -4.369 2.112 330 1HE LYS 42 1HE LYS 42 -9.398 -3.336 -0.635 331 2HE LYS 42 2HE LYS 42 -9.996 -4.826 0.093 332 1HZ LYS 42 1HZ LYS 42 -10.480 -3.028 2.024 333 2HZ LYS 42 2HZ LYS 42 -10.728 -2.086 0.633 334 3HZ LYS 42 3HZ LYS 42 -11.617 -3.512 0.859 335 H LEU 43 H LEU 43 -4.551 -1.383 0.202 336 HA LEU 43 HA LEU 43 -2.032 -1.345 1.786 337 1HB LEU 43 1HB LEU 43 -2.325 -2.210 -0.926 338 2HB LEU 43 2HB LEU 43 -1.424 -0.695 -0.917 339 HG LEU 43 HG LEU 43 -0.755 -3.282 0.490 340 1HD1 LEU 43 1HD1 LEU 43 0.376 -1.549 -1.651 341 2HD1 LEU 43 2HD1 LEU 43 1.510 -2.415 -0.614 342 3HD1 LEU 43 3HD1 LEU 43 0.307 -3.308 -1.546 343 1HD2 LEU 43 1HD2 LEU 43 -0.120 -0.496 1.284 344 2HD2 LEU 43 2HD2 LEU 43 -0.104 -1.972 2.251 345 3HD2 LEU 43 3HD2 LEU 43 1.262 -1.589 1.202 346 H THR 44 H THR 44 -1.342 0.723 2.229 347 HA THR 44 HA THR 44 -3.052 2.941 1.608 348 HB THR 44 HB THR 44 -0.527 2.525 3.120 349 HG1 THR 44 HG1 THR 44 -1.950 2.863 4.599 350 1HG2 THR 44 1HG2 THR 44 -1.388 5.215 2.015 351 2HG2 THR 44 2HG2 THR 44 -0.230 5.011 3.327 352 3HG2 THR 44 3HG2 THR 44 0.150 4.402 1.712 353 H LEU 45 H LEU 45 -2.970 4.222 -0.173 354 HA LEU 45 HA LEU 45 -0.425 4.259 -1.740 355 1HB LEU 45 1HB LEU 45 -3.281 4.128 -2.640 356 2HB LEU 45 2HB LEU 45 -2.142 5.051 -3.620 357 HG LEU 45 HG LEU 45 -1.497 2.242 -2.759 358 1HD1 LEU 45 1HD1 LEU 45 -3.113 3.192 -5.134 359 2HD1 LEU 45 2HD1 LEU 45 -2.414 1.577 -5.003 360 3HD1 LEU 45 3HD1 LEU 45 -3.654 2.098 -3.860 361 1HD2 LEU 45 1HD2 LEU 45 -0.658 4.107 -4.991 362 2HD2 LEU 45 2HD2 LEU 45 0.365 3.462 -3.700 363 3HD2 LEU 45 3HD2 LEU 45 -0.247 2.395 -4.972 364 H PHE 46 H PHE 46 -0.494 5.980 0.298 365 HA PHE 46 HA PHE 46 -1.853 8.440 0.018 366 1HB PHE 46 1HB PHE 46 0.736 7.597 1.244 367 2HB PHE 46 2HB PHE 46 0.493 9.322 0.985 368 HD1 PHE 46 HD1 PHE 46 -2.448 9.545 1.402 369 HD2 PHE 46 HD2 PHE 46 0.531 7.333 3.570 370 HE1 PHE 46 HE1 PHE 46 -3.856 9.645 3.440 371 HE2 PHE 46 HE2 PHE 46 -0.881 7.430 5.606 372 HZ PHE 46 HZ PHE 46 -3.073 8.588 5.542 373 H VAL 47 H VAL 47 0.679 7.019 -1.783 374 HA VAL 47 HA VAL 47 2.132 8.936 -3.019 375 HB VAL 47 HB VAL 47 1.726 7.479 -5.145 376 1HG1 VAL 47 1HG1 VAL 47 2.821 6.530 -2.511 377 2HG1 VAL 47 2HG1 VAL 47 2.882 5.490 -3.941 378 3HG1 VAL 47 3HG1 VAL 47 3.700 7.061 -3.945 379 1HG2 VAL 47 1HG2 VAL 47 -0.481 6.592 -4.377 380 2HG2 VAL 47 2HG2 VAL 47 0.690 5.302 -4.682 381 3HG2 VAL 47 3HG2 VAL 47 0.339 5.803 -3.031 382 H LYS 48 H LYS 48 1.784 10.611 -4.446 383 HA LYS 48 HA LYS 48 -0.991 11.439 -4.901 384 1HB LYS 48 1HB LYS 48 1.676 12.663 -5.663 385 2HB LYS 48 2HB LYS 48 0.119 13.401 -6.047 386 1HG LYS 48 1HG LYS 48 -0.319 13.006 -3.455 387 2HG LYS 48 2HG LYS 48 1.443 13.044 -3.387 388 1HD LYS 48 2HD LYS 48 0.665 15.180 -5.075 389 2HD LYS 48 1HD LYS 48 1.359 15.291 -3.458 390 1HE LYS 48 1HE LYS 48 -1.336 15.870 -4.316 391 2HE LYS 48 2HE LYS 48 -1.360 14.581 -3.112 392 1HZ LYS 48 1HZ LYS 48 0.181 16.034 -1.779 393 2HZ LYS 48 2HZ LYS 48 -0.192 17.290 -2.862 394 3HZ LYS 48 3HZ LYS 48 -1.417 16.585 -1.917 No H/Q in entry = 394 Start of MODEL 14 1 H1 ASP 1 1H ASP 1 -7.813 11.426 -0.341 2 H2 ASP 1 2H ASP 1 -9.133 12.279 0.304 3 H3 ASP 1 3H ASP 1 -7.718 13.108 -0.142 4 HA ASP 1 HA ASP 1 -7.148 12.968 1.995 5 1HB ASP 1 1HB ASP 1 -9.298 10.856 2.040 6 2HB ASP 1 2HB ASP 1 -8.232 11.072 3.428 7 H SER 2 H SER 2 -7.732 9.484 1.585 8 HA SER 2 HA SER 2 -4.816 9.077 1.177 9 1HB SER 2 1HB SER 2 -4.679 7.452 2.949 10 2HB SER 2 2HB SER 2 -5.401 8.903 3.640 11 HG SER 2 HG SER 2 -7.309 7.920 3.744 12 H ILE 3 H ILE 3 -4.383 7.311 -0.142 13 HA ILE 3 HA ILE 3 -6.708 6.051 -1.394 14 HB ILE 3 HB ILE 3 -3.758 5.971 -2.055 15 1HG1 ILE 3 1HG1 ILE 3 -6.119 7.310 -3.410 16 2HG1 ILE 3 2HG1 ILE 3 -4.843 8.131 -2.508 17 1HG2 ILE 3 1HG2 ILE 3 -5.024 3.879 -2.687 18 2HG2 ILE 3 2HG2 ILE 3 -6.070 4.888 -3.687 19 3HG2 ILE 3 3HG2 ILE 3 -4.350 4.760 -4.059 20 1HD1 ILE 3 1HD1 ILE 3 -4.156 6.323 -4.820 21 2HD1 ILE 3 2HD1 ILE 3 -4.630 7.999 -5.102 22 3HD1 ILE 3 3HD1 ILE 3 -3.208 7.637 -4.123 23 H THR 4 H THR 4 -7.198 3.874 -1.158 24 HA THR 4 HA THR 4 -5.291 2.227 0.450 25 HB THR 4 HB THR 4 -8.315 2.233 0.712 26 HG1 THR 4 HG1 THR 4 -6.215 3.335 2.233 27 1HG2 THR 4 1HG2 THR 4 -6.139 0.719 2.186 28 2HG2 THR 4 2HG2 THR 4 -7.845 0.720 2.635 29 3HG2 THR 4 3HG2 THR 4 -7.338 0.024 1.095 30 H TYR 5 H TYR 5 -4.625 0.626 -0.911 31 HA TYR 5 HA TYR 5 -6.669 -0.468 -2.795 32 1HB TYR 5 1HB TYR 5 -5.133 -0.533 -4.485 33 2HB TYR 5 2HB TYR 5 -4.470 0.813 -3.573 34 HD1 TYR 5 HD1 TYR 5 -4.158 -2.927 -3.955 35 HD2 TYR 5 HD2 TYR 5 -2.290 0.758 -2.775 36 HE1 TYR 5 HE1 TYR 5 -1.992 -4.068 -3.821 37 HE2 TYR 5 HE2 TYR 5 -0.115 -0.412 -2.611 38 HH TYR 5 HH TYR 5 0.777 -2.765 -3.931 39 H ARG 6 H ARG 6 -6.969 -2.652 -2.851 40 HA ARG 6 HA ARG 6 -5.629 -4.171 -0.716 41 1HB ARG 6 2HB ARG 6 -8.116 -4.338 -1.069 42 2HB ARG 6 1HB ARG 6 -7.288 -5.893 -1.115 43 1HG ARG 6 1HG ARG 6 -7.952 -4.270 -3.590 44 2HG ARG 6 2HG ARG 6 -7.349 -5.927 -3.532 45 1HD ARG 6 1HD ARG 6 -9.878 -5.622 -3.903 46 2HD ARG 6 2HD ARG 6 -9.384 -6.756 -2.646 47 HE ARG 6 HE ARG 6 -10.219 -3.952 -2.018 48 1HH1 ARG 6 1HH1 ARG 6 -9.669 -4.559 0.467 49 2HH1 ARG 6 2HH1 ARG 6 -10.822 -5.704 1.066 50 1HH2 ARG 6 1HH2 ARG 6 -11.928 -6.639 -2.085 51 2HH2 ARG 6 2HH2 ARG 6 -12.101 -6.882 -0.379 52 H VAL 7 H VAL 7 -3.968 -5.429 -1.072 53 HA VAL 7 HA VAL 7 -2.906 -5.749 -3.771 54 HB VAL 7 HB VAL 7 -1.921 -7.037 -1.219 55 1HG1 VAL 7 1HG1 VAL 7 -0.962 -6.788 -3.942 56 2HG1 VAL 7 2HG1 VAL 7 0.169 -6.019 -2.813 57 3HG1 VAL 7 3HG1 VAL 7 -0.287 -7.717 -2.600 58 1HG2 VAL 7 1HG2 VAL 7 -2.283 -4.243 -1.794 59 2HG2 VAL 7 2HG2 VAL 7 -1.533 -4.990 -0.369 60 3HG2 VAL 7 3HG2 VAL 7 -0.537 -4.612 -1.782 61 H ARG 8 H ARG 8 -3.840 -7.294 -5.037 62 HA ARG 8 HA ARG 8 -4.867 -9.770 -3.745 63 1HB ARG 8 1HB ARG 8 -5.270 -8.529 -6.475 64 2HB ARG 8 2HB ARG 8 -5.804 -10.169 -6.096 65 1HG ARG 8 1HG ARG 8 -7.350 -9.426 -4.483 66 2HG ARG 8 2HG ARG 8 -6.568 -7.852 -4.325 67 1HD ARG 8 2HD ARG 8 -7.218 -7.408 -6.738 68 2HD ARG 8 1HD ARG 8 -8.569 -7.504 -5.609 69 HE ARG 8 HE ARG 8 -7.826 -9.972 -7.079 70 1HH1 ARG 8 1HH1 ARG 8 -10.410 -9.557 -5.550 71 2HH1 ARG 8 2HH1 ARG 8 -11.527 -9.254 -6.839 72 1HH2 ARG 8 1HH2 ARG 8 -9.054 -8.607 -9.183 73 2HH2 ARG 8 2HH2 ARG 8 -10.758 -8.715 -8.897 74 H LYS 9 H LYS 9 -4.318 -11.875 -4.799 75 HA LYS 9 HA LYS 9 -1.534 -12.241 -5.085 76 1HB LYS 9 1HB LYS 9 -2.071 -14.436 -6.078 77 2HB LYS 9 2HB LYS 9 -3.064 -14.119 -4.657 78 1HG LYS 9 2HG LYS 9 -4.476 -13.031 -6.850 79 2HG LYS 9 1HG LYS 9 -4.893 -14.469 -5.920 80 1HD LYS 9 1HD LYS 9 -3.092 -14.364 -8.361 81 2HD LYS 9 2HD LYS 9 -3.401 -15.812 -7.402 82 1HE LYS 9 1HE LYS 9 -5.526 -16.065 -8.218 83 2HE LYS 9 2HE LYS 9 -5.797 -14.325 -8.340 84 1HZ LYS 9 1HZ LYS 9 -3.883 -15.694 -10.121 85 2HZ LYS 9 2HZ LYS 9 -5.543 -15.666 -10.485 86 3HZ LYS 9 3HZ LYS 9 -4.676 -14.211 -10.349 87 H GLY 10 H GLY 10 -0.151 -12.150 -6.823 88 1HA GLY 10 1HA GLY 10 0.479 -11.953 -9.120 89 2HA GLY 10 2HA GLY 10 -1.224 -11.789 -9.548 90 H ASP 11 H ASP 11 -1.155 -9.709 -7.114 91 HA ASP 11 HA ASP 11 -0.813 -7.395 -8.866 92 1HB ASP 11 1HB ASP 11 -1.576 -7.705 -5.959 93 2HB ASP 11 2HB ASP 11 -1.365 -6.132 -6.720 94 H SER 12 H SER 12 0.806 -5.812 -8.655 95 HA SER 12 HA SER 12 3.102 -6.602 -6.906 96 1HB SER 12 1HB SER 12 3.558 -4.882 -9.295 97 2HB SER 12 2HB SER 12 4.595 -6.118 -8.589 98 HG SER 12 HG SER 12 2.471 -6.350 -10.394 99 H LEU 13 H LEU 13 3.896 -5.021 -5.578 100 HA LEU 13 HA LEU 13 2.378 -2.779 -4.791 101 1HB LEU 13 1HB LEU 13 5.289 -3.500 -4.565 102 2HB LEU 13 2HB LEU 13 4.710 -1.948 -3.970 103 HG LEU 13 HG LEU 13 4.742 -3.786 -2.229 104 1HD1 LEU 13 1HD1 LEU 13 2.575 -1.976 -2.922 105 2HD1 LEU 13 2HD1 LEU 13 1.998 -3.380 -2.017 106 3HD1 LEU 13 3HD1 LEU 13 3.263 -2.347 -1.339 107 1HD2 LEU 13 1HD2 LEU 13 3.970 -5.608 -3.784 108 2HD2 LEU 13 2HD2 LEU 13 3.016 -5.496 -2.302 109 3HD2 LEU 13 3HD2 LEU 13 2.377 -4.845 -3.810 110 H SER 14 H SER 14 5.293 -2.684 -6.870 111 HA SER 14 HA SER 14 4.998 0.057 -7.547 112 1HB SER 14 1HB SER 14 6.107 -1.657 -9.674 113 2HB SER 14 2HB SER 14 6.836 -0.289 -8.838 114 HG SER 14 HG SER 14 7.368 -1.627 -7.151 115 H SER 15 H SER 15 3.806 -2.888 -9.187 116 HA SER 15 HA SER 15 2.655 -1.657 -11.458 117 1HB SER 15 1HB SER 15 1.825 -4.127 -9.932 118 2HB SER 15 2HB SER 15 1.093 -3.646 -11.460 119 HG SER 15 HG SER 15 3.677 -3.499 -11.821 120 H ILE 16 H ILE 16 1.253 -2.294 -8.296 121 HA ILE 16 HA ILE 16 -1.351 -1.269 -8.812 122 HB ILE 16 HB ILE 16 0.311 -1.526 -6.306 123 1HG1 ILE 16 2HG1 ILE 16 -1.583 -3.138 -7.754 124 2HG1 ILE 16 1HG1 ILE 16 -2.260 -2.748 -6.172 125 1HG2 ILE 16 1HG2 ILE 16 -2.033 0.179 -6.780 126 2HG2 ILE 16 2HG2 ILE 16 -2.245 -0.952 -5.451 127 3HG2 ILE 16 3HG2 ILE 16 -0.898 0.184 -5.432 128 1HD1 ILE 16 1HD1 ILE 16 0.470 -3.369 -5.748 129 2HD1 ILE 16 2HD1 ILE 16 -0.932 -4.320 -5.263 130 3HD1 ILE 16 3HD1 ILE 16 -0.165 -4.614 -6.823 131 H ALA 17 H ALA 17 1.606 0.329 -7.590 132 HA ALA 17 HA ALA 17 0.604 2.942 -7.247 133 1HB ALA 17 2HB ALA 17 3.059 3.310 -8.526 134 2HB ALA 17 1HB ALA 17 3.207 1.734 -7.751 135 3HB ALA 17 3HB ALA 17 2.799 3.156 -6.789 136 H LYS 18 H LYS 18 1.820 1.374 -10.232 137 HA LYS 18 HA LYS 18 1.629 3.508 -12.027 138 1HB LYS 18 1HB LYS 18 1.906 0.706 -12.218 139 2HB LYS 18 2HB LYS 18 0.558 1.133 -13.272 140 1HG LYS 18 1HG LYS 18 3.267 2.496 -13.309 141 2HG LYS 18 2HG LYS 18 2.762 1.242 -14.442 142 1HD LYS 18 1HD LYS 18 0.893 3.527 -14.131 143 2HD LYS 18 2HD LYS 18 2.428 3.889 -14.922 144 1HE LYS 18 1HE LYS 18 0.764 1.507 -15.735 145 2HE LYS 18 2HE LYS 18 0.482 3.105 -16.424 146 1HZ LYS 18 1HZ LYS 18 3.034 3.038 -16.802 147 2HZ LYS 18 2HZ LYS 18 2.831 1.358 -16.682 148 3HZ LYS 18 3HZ LYS 18 1.999 2.230 -17.880 149 H ARG 19 H ARG 19 -1.016 1.429 -10.852 150 HA ARG 19 HA ARG 19 -3.070 2.347 -12.571 151 1HB ARG 19 1HB ARG 19 -3.128 1.430 -9.691 152 2HB ARG 19 2HB ARG 19 -4.593 1.822 -10.589 153 1HG ARG 19 1HG ARG 19 -4.009 0.146 -12.296 154 2HG ARG 19 2HG ARG 19 -2.533 -0.244 -11.413 155 1HD ARG 19 2HD ARG 19 -4.167 -0.646 -9.400 156 2HD ARG 19 1HD ARG 19 -3.997 -1.892 -10.637 157 HE ARG 19 HE ARG 19 -6.163 -1.266 -11.510 158 1HH1 ARG 19 1HH1 ARG 19 -6.742 1.416 -11.375 159 2HH1 ARG 19 2HH1 ARG 19 -7.590 1.680 -9.888 160 1HH2 ARG 19 1HH2 ARG 19 -6.558 -1.307 -8.460 161 2HH2 ARG 19 2HH2 ARG 19 -7.486 0.138 -8.238 162 H HIS 20 H HIS 20 -1.589 3.881 -9.774 163 HA HIS 20 HA HIS 20 -3.447 6.194 -10.148 164 1HB HIS 20 2HB HIS 20 -3.649 6.357 -7.904 165 2HB HIS 20 1HB HIS 20 -1.914 6.253 -7.677 166 HD1 HIS 20 HD1 HIS 20 -5.029 4.212 -7.591 167 HD2 HIS 20 HD2 HIS 20 -0.928 3.559 -7.305 168 HE1 HIS 20 HE1 HIS 20 -4.711 1.871 -6.667 169 H GLY 21 H GLY 21 -0.535 5.334 -11.214 170 1HA GLY 21 1HA GLY 21 1.480 6.469 -11.677 171 2HA GLY 21 2HA GLY 21 0.464 7.915 -11.725 172 H VAL 22 H VAL 22 1.450 5.673 -9.135 173 HA VAL 22 HA VAL 22 2.221 8.069 -7.529 174 HB VAL 22 HB VAL 22 1.755 6.248 -5.635 175 1HG1 VAL 22 1HG1 VAL 22 0.015 8.186 -7.085 176 2HG1 VAL 22 2HG1 VAL 22 -0.752 7.130 -5.899 177 3HG1 VAL 22 3HG1 VAL 22 0.559 8.204 -5.408 178 1HG2 VAL 22 1HG2 VAL 22 1.140 4.630 -7.560 179 2HG2 VAL 22 2HG2 VAL 22 0.069 4.709 -6.163 180 3HG2 VAL 22 3HG2 VAL 22 -0.362 5.553 -7.652 181 H ASN 23 H ASN 23 3.738 7.416 -5.646 182 HA ASN 23 HA ASN 23 5.952 5.792 -6.816 183 1HB ASN 23 1HB ASN 23 5.808 8.248 -5.192 184 2HB ASN 23 2HB ASN 23 7.040 7.100 -4.668 185 2HD2 ASN 23 2HD2 ASN 23 6.669 9.719 -6.652 186 1HD2 ASN 23 1HD2 ASN 23 7.841 9.363 -7.827 187 H ILE 24 H ILE 24 5.366 3.725 -6.100 188 HA ILE 24 HA ILE 24 4.342 3.038 -3.579 189 HB ILE 24 HB ILE 24 6.284 1.427 -5.259 190 1HG1 ILE 24 1HG1 ILE 24 4.283 2.239 -6.461 191 2HG1 ILE 24 2HG1 ILE 24 4.247 0.497 -6.228 192 1HG2 ILE 24 1HG2 ILE 24 4.601 0.883 -2.866 193 2HG2 ILE 24 2HG2 ILE 24 4.609 -0.343 -4.144 194 3HG2 ILE 24 3HG2 ILE 24 6.122 0.134 -3.362 195 1HD1 ILE 24 1HD1 ILE 24 2.839 2.490 -4.405 196 2HD1 ILE 24 2HD1 ILE 24 2.051 1.577 -5.700 197 3HD1 ILE 24 3HD1 ILE 24 2.742 0.713 -4.324 198 H LYS 25 H LYS 25 7.561 4.087 -4.436 199 HA LYS 25 HA LYS 25 8.931 3.081 -2.123 200 1HB LYS 25 1HB LYS 25 10.467 5.061 -2.503 201 2HB LYS 25 2HB LYS 25 10.278 3.994 -3.892 202 1HG LYS 25 1HG LYS 25 8.650 5.521 -4.892 203 2HG LYS 25 2HG LYS 25 8.711 6.559 -3.467 204 1HD LYS 25 1HD LYS 25 11.169 5.923 -5.106 205 2HD LYS 25 2HD LYS 25 10.129 7.304 -5.457 206 1HE LYS 25 1HE LYS 25 10.494 7.561 -2.747 207 2HE LYS 25 2HE LYS 25 12.052 6.913 -3.258 208 1HZ LYS 25 1HZ LYS 25 11.032 8.967 -4.992 209 2HZ LYS 25 2HZ LYS 25 11.315 9.508 -3.410 210 3HZ LYS 25 3HZ LYS 25 12.574 8.796 -4.300 211 H ASP 26 H ASP 26 7.005 6.003 -2.773 212 HA ASP 26 HA ASP 26 7.380 7.210 -0.197 213 1HB ASP 26 2HB ASP 26 5.338 8.472 -0.667 214 2HB ASP 26 1HB ASP 26 4.929 7.367 -1.972 215 H VAL 27 H VAL 27 5.138 4.865 -1.547 216 HA VAL 27 HA VAL 27 3.475 4.528 0.755 217 HB VAL 27 HB VAL 27 4.385 2.326 -1.116 218 1HG1 VAL 27 1HG1 VAL 27 2.481 2.555 1.082 219 2HG1 VAL 27 2HG1 VAL 27 1.711 2.008 -0.410 220 3HG1 VAL 27 3HG1 VAL 27 3.073 1.110 0.262 221 1HG2 VAL 27 1HG2 VAL 27 3.540 4.358 -2.295 222 2HG2 VAL 27 2HG2 VAL 27 2.492 2.956 -2.518 223 3HG2 VAL 27 3HG2 VAL 27 2.042 4.227 -1.378 224 H MET 28 H MET 28 6.586 3.023 -0.142 225 HA MET 28 HA MET 28 6.756 1.484 2.329 226 1HB MET 28 2HB MET 28 9.006 0.955 1.609 227 2HB MET 28 1HB MET 28 9.010 2.302 0.470 228 1HG MET 28 1HG MET 28 6.718 0.744 -0.129 229 2HG MET 28 2HG MET 28 8.181 0.916 -1.099 230 1HE MET 28 1HE MET 28 7.113 -1.357 -1.883 231 2HE MET 28 2HE MET 28 8.864 -1.354 -2.074 232 3HE MET 28 3HE MET 28 8.056 -2.791 -1.453 233 H ARG 29 H ARG 29 7.192 4.752 1.469 234 HA ARG 29 HA ARG 29 9.232 5.427 3.426 235 1HB ARG 29 1HB ARG 29 8.473 6.758 1.318 236 2HB ARG 29 2HB ARG 29 7.184 7.361 2.359 237 1HG ARG 29 1HG ARG 29 8.927 8.074 4.011 238 2HG ARG 29 2HG ARG 29 10.164 7.608 2.844 239 1HD ARG 29 1HD ARG 29 7.969 9.629 2.305 240 2HD ARG 29 2HD ARG 29 9.626 10.044 2.747 241 HE ARG 29 HE ARG 29 9.081 8.436 0.289 242 1HH1 ARG 29 1HH1 ARG 29 9.300 11.635 1.128 243 2HH1 ARG 29 2HH1 ARG 29 10.668 12.006 0.133 244 1HH2 ARG 29 1HH2 ARG 29 11.327 8.694 -0.656 245 2HH2 ARG 29 2HH2 ARG 29 11.816 10.341 -0.878 246 H TRP 30 H TRP 30 5.650 5.586 3.342 247 HA TRP 30 HA TRP 30 5.593 6.572 6.119 248 1HB TRP 30 1HB TRP 30 3.253 5.501 4.525 249 2HB TRP 30 2HB TRP 30 3.205 6.595 5.908 250 HD1 TRP 30 HD1 TRP 30 4.681 8.990 5.436 251 HE1 TRP 30 HE1 TRP 30 4.597 10.452 3.313 252 HE3 TRP 30 HE3 TRP 30 2.798 5.605 2.135 253 HZ2 TRP 30 HZ2 TRP 30 3.828 10.203 0.564 254 HZ3 TRP 30 HZ3 TRP 30 2.400 6.231 -0.221 255 HH2 TRP 30 HH2 TRP 30 2.910 8.523 -1.019 256 H ASN 31 H ASN 31 5.036 3.503 4.412 257 HA ASN 31 HA ASN 31 4.616 2.199 7.060 258 1HB ASN 31 1HB ASN 31 4.336 0.942 4.325 259 2HB ASN 31 2HB ASN 31 3.746 0.320 5.867 260 2HD2 ASN 31 2HD2 ASN 31 3.154 2.759 3.351 261 1HD2 ASN 31 1HD2 ASN 31 1.611 3.202 3.901 262 H SER 32 H SER 32 6.136 0.857 7.888 263 HA SER 32 HA SER 32 8.677 0.581 6.385 264 1HB SER 32 1HB SER 32 7.914 0.635 9.223 265 2HB SER 32 2HB SER 32 9.115 -0.589 8.827 266 HG SER 32 HG SER 32 10.511 0.931 8.304 267 H ASP 33 H ASP 33 7.338 -1.666 8.719 268 HA ASP 33 HA ASP 33 8.035 -3.943 7.061 269 1HB ASP 33 1HB ASP 33 7.807 -3.804 9.669 270 2HB ASP 33 2HB ASP 33 6.092 -4.082 9.362 271 H THR 34 H THR 34 6.887 -3.976 5.139 272 HA THR 34 HA THR 34 4.029 -3.327 5.117 273 HB THR 34 HB THR 34 4.310 -4.040 2.653 274 HG1 THR 34 HG1 THR 34 6.486 -4.082 1.998 275 1HG2 THR 34 1HG2 THR 34 5.075 -1.685 4.106 276 2HG2 THR 34 2HG2 THR 34 6.162 -1.895 2.734 277 3HG2 THR 34 3HG2 THR 34 4.419 -1.805 2.474 278 H ALA 35 H ALA 35 4.386 -5.489 6.807 279 HA ALA 35 HA ALA 35 4.072 -8.025 5.479 280 1HB ALA 35 3HB ALA 35 4.728 -8.226 7.722 281 2HB ALA 35 2HB ALA 35 3.011 -8.623 7.794 282 3HB ALA 35 1HB ALA 35 3.567 -7.017 8.267 283 H ASN 36 H ASN 36 2.019 -5.346 5.751 284 HA ASN 36 HA ASN 36 -0.478 -6.872 5.766 285 1HB ASN 36 1HB ASN 36 0.151 -4.307 6.485 286 2HB ASN 36 2HB ASN 36 -0.538 -4.057 4.880 287 2HD2 ASN 36 2HD2 ASN 36 -2.304 -2.971 6.317 288 1HD2 ASN 36 1HD2 ASN 36 -3.549 -3.977 6.882 289 H LEU 37 H LEU 37 1.857 -6.525 3.446 290 HA LEU 37 HA LEU 37 -0.013 -5.996 1.217 291 1HB LEU 37 1HB LEU 37 2.959 -6.558 1.336 292 2HB LEU 37 2HB LEU 37 2.062 -6.508 -0.185 293 HG LEU 37 HG LEU 37 1.496 -4.231 0.084 294 1HD1 LEU 37 1HD1 LEU 37 2.373 -4.608 2.949 295 2HD1 LEU 37 2HD1 LEU 37 2.195 -3.009 2.230 296 3HD1 LEU 37 3HD1 LEU 37 0.799 -4.081 2.353 297 1HD2 LEU 37 1HD2 LEU 37 4.324 -4.754 1.025 298 2HD2 LEU 37 2HD2 LEU 37 3.780 -4.443 -0.622 299 3HD2 LEU 37 3HD2 LEU 37 3.738 -3.151 0.578 300 H GLN 38 H GLN 38 -1.204 -7.978 2.145 301 HA GLN 38 HA GLN 38 -0.075 -10.509 1.059 302 1HB GLN 38 1HB GLN 38 -2.131 -9.918 3.205 303 2HB GLN 38 2HB GLN 38 -1.945 -11.524 2.505 304 1HG GLN 38 1HG GLN 38 0.410 -10.018 3.642 305 2HG GLN 38 2HG GLN 38 -0.622 -11.025 4.660 306 2HE2 GLN 38 1HE2 GLN 38 -0.595 -13.354 4.293 307 1HE2 GLN 38 2HE2 GLN 38 0.610 -14.088 3.349 308 HA PRO 39 HA PRO 39 -3.150 -10.487 -1.982 309 1HB PRO 39 1HB PRO 39 -4.007 -13.117 -2.018 310 2HB PRO 39 2HB PRO 39 -2.481 -12.560 -2.725 311 1HG PRO 39 2HG PRO 39 -1.536 -14.057 -1.226 312 2HG PRO 39 1HG PRO 39 -2.943 -14.011 -0.148 313 1HD PRO 39 1HD PRO 39 -1.656 -12.609 1.164 314 2HD PRO 39 2HD PRO 39 -0.514 -12.284 -0.160 315 H GLY 40 H GLY 40 -4.549 -9.121 -0.760 316 1HA GLY 40 1HA GLY 40 -7.107 -9.218 -0.593 317 2HA GLY 40 2HA GLY 40 -6.828 -10.498 0.587 318 H ASP 41 H ASP 41 -4.425 -7.993 0.703 319 HA ASP 41 HA ASP 41 -5.847 -6.882 3.105 320 1HB ASP 41 1HB ASP 41 -2.953 -7.410 2.508 321 2HB ASP 41 2HB ASP 41 -3.395 -6.163 3.672 322 H LYS 42 H LYS 42 -5.678 -4.571 3.455 323 HA LYS 42 HA LYS 42 -5.640 -3.065 0.943 324 1HB LYS 42 1HB LYS 42 -6.331 -2.445 3.804 325 2HB LYS 42 2HB LYS 42 -6.119 -1.139 2.638 326 1HG LYS 42 1HG LYS 42 -7.970 -1.756 1.396 327 2HG LYS 42 2HG LYS 42 -7.840 -3.454 1.854 328 1HD LYS 42 1HD LYS 42 -8.457 -1.427 3.975 329 2HD LYS 42 2HD LYS 42 -9.747 -1.949 2.890 330 1HE LYS 42 1HE LYS 42 -8.496 -4.328 3.595 331 2HE LYS 42 2HE LYS 42 -8.481 -3.394 5.092 332 1HZ LYS 42 1HZ LYS 42 -10.862 -2.982 4.784 333 2HZ LYS 42 2HZ LYS 42 -10.853 -3.969 3.400 334 3HZ LYS 42 3HZ LYS 42 -10.516 -4.639 4.921 335 H LEU 43 H LEU 43 -4.360 -1.084 0.696 336 HA LEU 43 HA LEU 43 -1.861 -1.000 2.308 337 1HB LEU 43 1HB LEU 43 -2.125 -1.950 -0.382 338 2HB LEU 43 2HB LEU 43 -1.206 -0.447 -0.404 339 HG LEU 43 HG LEU 43 -0.587 -3.015 1.054 340 1HD1 LEU 43 1HD1 LEU 43 0.609 -1.293 -1.053 341 2HD1 LEU 43 2HD1 LEU 43 1.717 -2.135 0.029 342 3HD1 LEU 43 3HD1 LEU 43 0.556 -3.050 -0.930 343 1HD2 LEU 43 1HD2 LEU 43 -0.007 -0.243 1.902 344 2HD2 LEU 43 2HD2 LEU 43 0.047 -1.739 2.837 345 3HD2 LEU 43 3HD2 LEU 43 1.409 -1.289 1.811 346 H THR 44 H THR 44 -1.190 1.081 2.701 347 HA THR 44 HA THR 44 -2.885 3.276 1.963 348 HB THR 44 HB THR 44 -0.412 2.906 3.568 349 HG1 THR 44 HG1 THR 44 -1.977 3.163 4.924 350 1HG2 THR 44 1HG2 THR 44 -1.242 5.562 2.358 351 2HG2 THR 44 2HG2 THR 44 -0.134 5.401 3.719 352 3HG2 THR 44 3HG2 THR 44 0.310 4.747 2.140 353 H LEU 45 H LEU 45 -2.752 4.494 0.140 354 HA LEU 45 HA LEU 45 -0.160 4.481 -1.349 355 1HB LEU 45 1HB LEU 45 -2.993 4.378 -2.324 356 2HB LEU 45 2HB LEU 45 -1.810 5.258 -3.293 357 HG LEU 45 HG LEU 45 -1.239 2.459 -2.346 358 1HD1 LEU 45 1HD1 LEU 45 -2.775 3.371 -4.790 359 2HD1 LEU 45 2HD1 LEU 45 -2.110 1.747 -4.593 360 3HD1 LEU 45 3HD1 LEU 45 -3.370 2.323 -3.500 361 1HD2 LEU 45 1HD2 LEU 45 -0.304 4.268 -4.585 362 2HD2 LEU 45 2HD2 LEU 45 0.672 3.600 -3.271 363 3HD2 LEU 45 3HD2 LEU 45 0.054 2.543 -4.550 364 H PHE 46 H PHE 46 -0.253 6.237 0.650 365 HA PHE 46 HA PHE 46 -1.564 8.719 0.273 366 1HB PHE 46 1HB PHE 46 0.940 7.840 1.639 367 2HB PHE 46 2HB PHE 46 0.752 9.565 1.337 368 HD1 PHE 46 HD1 PHE 46 -2.228 9.815 1.588 369 HD2 PHE 46 HD2 PHE 46 0.641 7.682 3.968 370 HE1 PHE 46 HE1 PHE 46 -3.730 9.989 3.553 371 HE2 PHE 46 HE2 PHE 46 -0.858 7.851 5.932 372 HZ PHE 46 HZ PHE 46 -3.046 9.006 5.727 373 H VAL 47 H VAL 47 0.977 7.202 -1.417 374 HA VAL 47 HA VAL 47 2.571 9.021 -2.588 375 HB VAL 47 HB VAL 47 2.106 7.618 -4.761 376 1HG1 VAL 47 1HG1 VAL 47 3.192 6.641 -2.133 377 2HG1 VAL 47 2HG1 VAL 47 3.227 5.605 -3.566 378 3HG1 VAL 47 3HG1 VAL 47 4.075 7.160 -3.566 379 1HG2 VAL 47 1HG2 VAL 47 0.652 6.016 -2.629 380 2HG2 VAL 47 2HG2 VAL 47 -0.101 6.752 -4.041 381 3HG2 VAL 47 3HG2 VAL 47 1.060 5.432 -4.241 382 H LYS 48 H LYS 48 -0.812 8.549 -3.426 383 HA LYS 48 HA LYS 48 -0.699 11.124 -4.945 384 1HB LYS 48 1HB LYS 48 -1.250 9.472 -6.552 385 2HB LYS 48 2HB LYS 48 -2.297 8.607 -5.428 386 1HG LYS 48 1HG LYS 48 -3.613 9.885 -7.086 387 2HG LYS 48 2HG LYS 48 -3.889 10.486 -5.451 388 1HD LYS 48 1HD LYS 48 -2.723 12.451 -5.828 389 2HD LYS 48 2HD LYS 48 -1.693 11.725 -7.061 390 1HE LYS 48 1HE LYS 48 -3.491 13.388 -7.866 391 2HE LYS 48 2HE LYS 48 -3.393 11.842 -8.709 392 1HZ LYS 48 1HZ LYS 48 -5.157 12.076 -6.375 393 2HZ LYS 48 2HZ LYS 48 -5.667 12.740 -7.850 394 3HZ LYS 48 3HZ LYS 48 -5.304 11.082 -7.746 No H/Q in entry = 394 Start of MODEL 15 1 H1 ASP 1 1H ASP 1 -8.690 10.853 0.343 2 H2 ASP 1 2H ASP 1 -9.760 11.930 1.104 3 H3 ASP 1 3H ASP 1 -8.503 12.526 0.129 4 HA ASP 1 HA ASP 1 -7.499 12.840 2.112 5 1HB ASP 1 1HB ASP 1 -9.268 10.564 3.025 6 2HB ASP 1 2HB ASP 1 -7.970 11.195 4.039 7 H SER 2 H SER 2 -7.877 9.283 2.021 8 HA SER 2 HA SER 2 -4.991 9.099 1.276 9 1HB SER 2 1HB SER 2 -4.536 7.547 2.974 10 2HB SER 2 2HB SER 2 -5.588 8.699 3.790 11 HG SER 2 HG SER 2 -7.149 7.253 3.831 12 H ILE 3 H ILE 3 -4.490 7.281 -0.025 13 HA ILE 3 HA ILE 3 -6.811 6.077 -1.339 14 HB ILE 3 HB ILE 3 -3.856 6.026 -1.966 15 1HG1 ILE 3 1HG1 ILE 3 -6.260 7.302 -3.304 16 2HG1 ILE 3 2HG1 ILE 3 -4.917 8.138 -2.520 17 1HG2 ILE 3 1HG2 ILE 3 -5.032 3.880 -2.563 18 2HG2 ILE 3 2HG2 ILE 3 -6.124 4.822 -3.580 19 3HG2 ILE 3 3HG2 ILE 3 -4.401 4.757 -3.959 20 1HD1 ILE 3 1HD1 ILE 3 -4.613 6.304 -4.917 21 2HD1 ILE 3 2HD1 ILE 3 -4.702 8.062 -5.018 22 3HD1 ILE 3 3HD1 ILE 3 -3.353 7.294 -4.181 23 H THR 4 H THR 4 -7.254 3.867 -1.259 24 HA THR 4 HA THR 4 -5.420 2.185 0.391 25 HB THR 4 HB THR 4 -8.341 1.649 0.539 26 HG1 THR 4 HG1 THR 4 -8.767 3.331 1.791 27 1HG2 THR 4 1HG2 THR 4 -6.066 0.697 1.774 28 2HG2 THR 4 2HG2 THR 4 -6.717 1.810 2.978 29 3HG2 THR 4 3HG2 THR 4 -7.709 0.481 2.374 30 H TYR 5 H TYR 5 -4.696 0.629 -1.010 31 HA TYR 5 HA TYR 5 -6.681 -0.385 -3.003 32 1HB TYR 5 1HB TYR 5 -5.087 -0.412 -4.636 33 2HB TYR 5 2HB TYR 5 -4.427 0.884 -3.651 34 HD1 TYR 5 HD1 TYR 5 -4.197 -2.838 -4.178 35 HD2 TYR 5 HD2 TYR 5 -2.274 0.732 -2.758 36 HE1 TYR 5 HE1 TYR 5 -2.077 -4.054 -3.994 37 HE2 TYR 5 HE2 TYR 5 -0.146 -0.514 -2.546 38 HH TYR 5 HH TYR 5 0.772 -2.775 -3.868 39 H ARG 6 H ARG 6 -7.093 -2.532 -3.056 40 HA ARG 6 HA ARG 6 -5.872 -4.171 -0.947 41 1HB ARG 6 1HB ARG 6 -8.350 -4.187 -2.407 42 2HB ARG 6 2HB ARG 6 -7.556 -5.750 -2.609 43 1HG ARG 6 1HG ARG 6 -7.755 -6.291 -0.397 44 2HG ARG 6 2HG ARG 6 -7.509 -4.627 0.136 45 1HD ARG 6 1HD ARG 6 -9.772 -4.033 -0.367 46 2HD ARG 6 2HD ARG 6 -10.041 -5.540 -1.243 47 HE ARG 6 HE ARG 6 -9.875 -6.712 0.963 48 1HH1 ARG 6 1HH1 ARG 6 -9.093 -3.585 1.695 49 2HH1 ARG 6 2HH1 ARG 6 -10.301 -3.355 2.914 50 1HH2 ARG 6 1HH2 ARG 6 -11.976 -6.303 2.185 51 2HH2 ARG 6 2HH2 ARG 6 -11.934 -4.894 3.191 52 H VAL 7 H VAL 7 -4.137 -5.317 -1.277 53 HA VAL 7 HA VAL 7 -2.994 -5.653 -3.934 54 HB VAL 7 HB VAL 7 -2.064 -6.958 -1.375 55 1HG1 VAL 7 1HG1 VAL 7 -1.018 -6.573 -4.049 56 2HG1 VAL 7 2HG1 VAL 7 0.041 -5.799 -2.856 57 3HG1 VAL 7 3HG1 VAL 7 -0.352 -7.520 -2.715 58 1HG2 VAL 7 1HG2 VAL 7 -2.476 -4.144 -1.900 59 2HG2 VAL 7 2HG2 VAL 7 -1.837 -4.922 -0.438 60 3HG2 VAL 7 3HG2 VAL 7 -0.735 -4.486 -1.752 61 H ARG 8 H ARG 8 -3.870 -7.210 -5.223 62 HA ARG 8 HA ARG 8 -4.870 -9.721 -3.974 63 1HB ARG 8 1HB ARG 8 -5.170 -8.654 -6.799 64 2HB ARG 8 2HB ARG 8 -5.903 -10.138 -6.188 65 1HG ARG 8 1HG ARG 8 -7.476 -9.016 -4.953 66 2HG ARG 8 2HG ARG 8 -6.390 -7.672 -4.599 67 1HD ARG 8 1HD ARG 8 -8.217 -6.972 -6.109 68 2HD ARG 8 2HD ARG 8 -6.646 -6.837 -6.897 69 HE ARG 8 HE ARG 8 -7.207 -9.070 -7.989 70 1HH1 ARG 8 1HH1 ARG 8 -9.343 -10.390 -7.797 71 2HH1 ARG 8 2HH1 ARG 8 -10.721 -9.497 -8.349 72 1HH2 ARG 8 1HH2 ARG 8 -9.106 -6.429 -8.244 73 2HH2 ARG 8 2HH2 ARG 8 -10.586 -7.253 -8.602 74 H LYS 9 H LYS 9 -4.248 -11.803 -5.061 75 HA LYS 9 HA LYS 9 -1.449 -12.107 -5.283 76 1HB LYS 9 1HB LYS 9 -3.679 -13.783 -6.467 77 2HB LYS 9 2HB LYS 9 -1.978 -14.253 -6.500 78 1HG LYS 9 1HG LYS 9 -1.955 -13.981 -3.981 79 2HG LYS 9 2HG LYS 9 -3.707 -13.798 -4.058 80 1HD LYS 9 1HD LYS 9 -2.859 -16.104 -5.595 81 2HD LYS 9 2HD LYS 9 -2.273 -16.213 -3.934 82 1HE LYS 9 1HE LYS 9 -4.372 -17.085 -3.596 83 2HE LYS 9 2HE LYS 9 -4.779 -15.375 -3.433 84 1HZ LYS 9 1HZ LYS 9 -5.188 -15.412 -5.898 85 2HZ LYS 9 2HZ LYS 9 -5.097 -17.105 -5.817 86 3HZ LYS 9 3HZ LYS 9 -6.305 -16.274 -4.958 87 H GLY 10 H GLY 10 -0.028 -11.895 -6.972 88 1HA GLY 10 1HA GLY 10 0.633 -11.665 -9.269 89 2HA GLY 10 2HA GLY 10 -1.063 -11.468 -9.711 90 H ASP 11 H ASP 11 -1.332 -9.456 -7.407 91 HA ASP 11 HA ASP 11 -0.818 -7.092 -8.975 92 1HB ASP 11 1HB ASP 11 -1.641 -7.514 -6.097 93 2HB ASP 11 2HB ASP 11 -1.418 -5.912 -6.794 94 H SER 12 H SER 12 0.901 -5.684 -8.869 95 HA SER 12 HA SER 12 3.116 -6.459 -7.015 96 1HB SER 12 1HB SER 12 3.763 -4.672 -9.265 97 2HB SER 12 2HB SER 12 4.601 -6.114 -8.701 98 HG SER 12 HG SER 12 3.080 -7.368 -9.777 99 H LEU 13 H LEU 13 3.871 -4.899 -5.627 100 HA LEU 13 HA LEU 13 2.328 -2.665 -4.865 101 1HB LEU 13 1HB LEU 13 5.222 -3.403 -4.538 102 2HB LEU 13 2HB LEU 13 4.638 -1.845 -3.961 103 HG LEU 13 HG LEU 13 4.590 -3.745 -2.251 104 1HD1 LEU 13 1HD1 LEU 13 2.481 -1.835 -2.959 105 2HD1 LEU 13 2HD1 LEU 13 1.907 -3.192 -1.980 106 3HD1 LEU 13 3HD1 LEU 13 3.223 -2.165 -1.392 107 1HD2 LEU 13 1HD2 LEU 13 2.304 -4.638 -4.041 108 2HD2 LEU 13 2HD2 LEU 13 3.772 -5.550 -3.687 109 3HD2 LEU 13 3HD2 LEU 13 2.590 -5.242 -2.411 110 H SER 14 H SER 14 5.290 -2.553 -6.886 111 HA SER 14 HA SER 14 5.026 0.208 -7.509 112 1HB SER 14 1HB SER 14 6.174 -1.759 -9.478 113 2HB SER 14 2HB SER 14 6.727 -0.133 -9.089 114 HG SER 14 HG SER 14 7.592 -0.867 -7.224 115 H SER 15 H SER 15 3.878 -2.694 -9.259 116 HA SER 15 HA SER 15 2.738 -1.398 -11.499 117 1HB SER 15 1HB SER 15 2.901 -3.782 -11.547 118 2HB SER 15 2HB SER 15 1.976 -3.936 -10.058 119 HG SER 15 HG SER 15 1.126 -3.291 -12.657 120 H ILE 16 H ILE 16 1.353 -2.104 -8.355 121 HA ILE 16 HA ILE 16 -1.277 -1.134 -8.861 122 HB ILE 16 HB ILE 16 0.380 -1.404 -6.350 123 1HG1 ILE 16 1HG1 ILE 16 -2.181 -2.712 -6.341 124 2HG1 ILE 16 2HG1 ILE 16 -1.362 -3.090 -7.857 125 1HG2 ILE 16 1HG2 ILE 16 -2.001 0.240 -6.802 126 2HG2 ILE 16 2HG2 ILE 16 -2.224 -0.955 -5.531 127 3HG2 ILE 16 3HG2 ILE 16 -0.907 0.210 -5.420 128 1HD1 ILE 16 1HD1 ILE 16 0.562 -3.232 -5.745 129 2HD1 ILE 16 2HD1 ILE 16 -0.850 -4.170 -5.264 130 3HD1 ILE 16 3HD1 ILE 16 -0.022 -4.536 -6.776 131 H ALA 17 H ALA 17 1.647 0.487 -7.592 132 HA ALA 17 HA ALA 17 0.600 3.074 -7.183 133 1HB ALA 17 2HB ALA 17 3.051 3.512 -8.451 134 2HB ALA 17 1HB ALA 17 3.224 1.923 -7.710 135 3HB ALA 17 3HB ALA 17 2.790 3.318 -6.718 136 H LYS 18 H LYS 18 1.862 1.596 -10.188 137 HA LYS 18 HA LYS 18 1.637 3.756 -11.948 138 1HB LYS 18 1HB LYS 18 2.102 1.039 -12.209 139 2HB LYS 18 2HB LYS 18 0.609 1.276 -13.120 140 1HG LYS 18 1HG LYS 18 1.748 2.238 -14.801 141 2HG LYS 18 2HG LYS 18 2.412 3.440 -13.695 142 1HD LYS 18 2HD LYS 18 3.837 1.137 -13.072 143 2HD LYS 18 1HD LYS 18 4.420 2.471 -14.068 144 1HE LYS 18 1HE LYS 18 3.467 -0.225 -14.872 145 2HE LYS 18 2HE LYS 18 2.957 1.112 -15.905 146 1HZ LYS 18 1HZ LYS 18 5.764 0.613 -15.075 147 2HZ LYS 18 2HZ LYS 18 5.103 0.123 -16.562 148 3HZ LYS 18 3HZ LYS 18 5.221 1.774 -16.191 149 H ARG 19 H ARG 19 -0.962 1.598 -10.824 150 HA ARG 19 HA ARG 19 -3.037 2.506 -12.523 151 1HB ARG 19 1HB ARG 19 -3.202 1.655 -9.616 152 2HB ARG 19 2HB ARG 19 -4.577 1.784 -10.714 153 1HG ARG 19 1HG ARG 19 -2.808 0.233 -12.158 154 2HG ARG 19 2HG ARG 19 -2.545 -0.326 -10.506 155 1HD ARG 19 1HD ARG 19 -5.358 0.048 -11.468 156 2HD ARG 19 2HD ARG 19 -4.469 -1.385 -11.983 157 HE ARG 19 HE ARG 19 -4.237 -1.027 -9.131 158 1HH1 ARG 19 1HH1 ARG 19 -5.003 -3.423 -11.068 159 2HH1 ARG 19 2HH1 ARG 19 -6.506 -3.883 -10.342 160 1HH2 ARG 19 1HH2 ARG 19 -6.771 -1.002 -8.432 161 2HH2 ARG 19 2HH2 ARG 19 -7.508 -2.513 -8.849 162 H HIS 20 H HIS 20 -1.627 3.990 -9.652 163 HA HIS 20 HA HIS 20 -3.527 6.274 -9.992 164 1HB HIS 20 2HB HIS 20 -3.751 6.377 -7.749 165 2HB HIS 20 1HB HIS 20 -2.014 6.311 -7.510 166 HD1 HIS 20 HD1 HIS 20 -5.076 4.184 -7.515 167 HD2 HIS 20 HD2 HIS 20 -0.963 3.643 -7.167 168 HE1 HIS 20 HE1 HIS 20 -4.709 1.835 -6.632 169 H GLY 21 H GLY 21 -0.595 5.513 -11.066 170 1HA GLY 21 1HA GLY 21 1.392 6.706 -11.493 171 2HA GLY 21 2HA GLY 21 0.342 8.129 -11.507 172 H VAL 22 H VAL 22 1.380 5.848 -8.967 173 HA VAL 22 HA VAL 22 2.120 8.226 -7.316 174 HB VAL 22 HB VAL 22 1.661 6.361 -5.457 175 1HG1 VAL 22 1HG1 VAL 22 -0.248 8.197 -6.896 176 2HG1 VAL 22 2HG1 VAL 22 -0.756 7.275 -5.479 177 3HG1 VAL 22 3HG1 VAL 22 0.557 8.447 -5.344 178 1HG2 VAL 22 1HG2 VAL 22 1.055 4.758 -7.362 179 2HG2 VAL 22 2HG2 VAL 22 -0.085 4.874 -6.023 180 3HG2 VAL 22 3HG2 VAL 22 -0.418 5.714 -7.538 181 H ASN 23 H ASN 23 3.645 7.544 -5.442 182 HA ASN 23 HA ASN 23 5.867 5.963 -6.650 183 1HB ASN 23 1HB ASN 23 5.767 8.187 -4.621 184 2HB ASN 23 2HB ASN 23 7.193 7.164 -4.782 185 2HD2 ASN 23 2HD2 ASN 23 8.600 8.704 -5.775 186 1HD2 ASN 23 1HD2 ASN 23 8.293 9.392 -7.296 187 H ILE 24 H ILE 24 5.299 3.875 -5.984 188 HA ILE 24 HA ILE 24 4.279 3.117 -3.483 189 HB ILE 24 HB ILE 24 6.243 1.556 -5.184 190 1HG1 ILE 24 1HG1 ILE 24 4.259 2.395 -6.389 191 2HG1 ILE 24 2HG1 ILE 24 4.221 0.647 -6.204 192 1HG2 ILE 24 1HG2 ILE 24 4.538 0.954 -2.822 193 2HG2 ILE 24 2HG2 ILE 24 4.551 -0.240 -4.128 194 3HG2 ILE 24 3HG2 ILE 24 6.062 0.212 -3.326 195 1HD1 ILE 24 1HD1 ILE 24 2.783 2.597 -4.355 196 2HD1 ILE 24 2HD1 ILE 24 2.016 1.704 -5.675 197 3HD1 ILE 24 3HD1 ILE 24 2.695 0.815 -4.309 198 H LYS 25 H LYS 25 7.509 4.185 -4.310 199 HA LYS 25 HA LYS 25 8.853 3.126 -2.003 200 1HB LYS 25 1HB LYS 25 10.381 5.153 -2.329 201 2HB LYS 25 2HB LYS 25 10.268 4.038 -3.687 202 1HG LYS 25 1HG LYS 25 8.755 5.494 -4.863 203 2HG LYS 25 2HG LYS 25 8.559 6.526 -3.446 204 1HD LYS 25 1HD LYS 25 10.115 7.507 -5.122 205 2HD LYS 25 2HD LYS 25 10.902 7.203 -3.574 206 1HE LYS 25 1HE LYS 25 12.322 5.698 -4.482 207 2HE LYS 25 2HE LYS 25 11.020 4.886 -5.354 208 1HZ LYS 25 1HZ LYS 25 12.254 7.451 -6.198 209 2HZ LYS 25 2HZ LYS 25 12.695 5.934 -6.813 210 3HZ LYS 25 3HZ LYS 25 11.123 6.527 -7.065 211 H ASP 26 H ASP 26 6.926 6.050 -2.609 212 HA ASP 26 HA ASP 26 7.302 7.225 -0.018 213 1HB ASP 26 1HB ASP 26 4.852 7.386 -1.793 214 2HB ASP 26 2HB ASP 26 5.229 8.461 -0.456 215 H VAL 27 H VAL 27 5.060 4.900 -1.401 216 HA VAL 27 HA VAL 27 3.408 4.516 0.898 217 HB VAL 27 HB VAL 27 4.306 2.348 -1.017 218 1HG1 VAL 27 1HG1 VAL 27 2.509 2.471 1.233 219 2HG1 VAL 27 2HG1 VAL 27 1.596 2.128 -0.239 220 3HG1 VAL 27 3HG1 VAL 27 2.933 1.079 0.236 221 1HG2 VAL 27 1HG2 VAL 27 3.393 4.529 -2.026 222 2HG2 VAL 27 2HG2 VAL 27 2.575 3.037 -2.493 223 3HG2 VAL 27 3HG2 VAL 27 1.860 4.095 -1.275 224 H MET 28 H MET 28 6.512 3.022 -0.035 225 HA MET 28 HA MET 28 6.685 1.442 2.410 226 1HB MET 28 2HB MET 28 8.967 0.962 1.673 227 2HB MET 28 1HB MET 28 8.890 2.266 0.489 228 1HG MET 28 1HG MET 28 6.645 0.769 -0.115 229 2HG MET 28 2HG MET 28 8.191 0.665 -0.959 230 1HE MET 28 1HE MET 28 9.967 -0.795 -0.580 231 2HE MET 28 2HE MET 28 9.756 -2.487 -0.141 232 3HE MET 28 3HE MET 28 8.870 -1.808 -1.514 233 H ARG 29 H ARG 29 7.132 4.723 1.603 234 HA ARG 29 HA ARG 29 9.199 5.348 3.551 235 1HB ARG 29 1HB ARG 29 8.460 6.728 1.479 236 2HB ARG 29 2HB ARG 29 7.147 7.300 2.509 237 1HG ARG 29 1HG ARG 29 8.641 8.297 4.055 238 2HG ARG 29 2HG ARG 29 10.026 7.417 3.405 239 1HD ARG 29 1HD ARG 29 10.107 8.738 1.454 240 2HD ARG 29 2HD ARG 29 8.456 9.321 1.673 241 HE ARG 29 HE ARG 29 9.582 10.403 3.846 242 1HH1 ARG 29 1HH1 ARG 29 12.284 9.776 2.555 243 2HH1 ARG 29 2HH1 ARG 29 12.645 11.291 1.795 244 1HH2 ARG 29 1HH2 ARG 29 9.399 12.487 2.043 245 2HH2 ARG 29 2HH2 ARG 29 11.009 12.827 1.506 246 H TRP 30 H TRP 30 5.620 5.527 3.496 247 HA TRP 30 HA TRP 30 5.583 6.471 6.288 248 1HB TRP 30 1HB TRP 30 3.233 5.414 4.700 249 2HB TRP 30 2HB TRP 30 3.194 6.493 6.094 250 HD1 TRP 30 HD1 TRP 30 4.661 8.896 5.631 251 HE1 TRP 30 HE1 TRP 30 4.548 10.383 3.525 252 HE3 TRP 30 HE3 TRP 30 2.737 5.548 2.317 253 HZ2 TRP 30 HZ2 TRP 30 3.741 10.165 0.784 254 HZ3 TRP 30 HZ3 TRP 30 2.305 6.199 -0.024 255 HH2 TRP 30 HH2 TRP 30 2.804 8.501 -0.805 256 H ASN 31 H ASN 31 4.955 3.438 4.533 257 HA ASN 31 HA ASN 31 4.567 2.081 7.154 258 1HB ASN 31 1HB ASN 31 4.287 0.887 4.391 259 2HB ASN 31 2HB ASN 31 3.711 0.218 5.919 260 2HD2 ASN 31 2HD2 ASN 31 3.074 2.703 3.462 261 1HD2 ASN 31 1HD2 ASN 31 1.534 3.123 4.038 262 H SER 32 H SER 32 6.089 0.731 7.960 263 HA SER 32 HA SER 32 8.640 0.502 6.475 264 1HB SER 32 1HB SER 32 7.834 0.039 9.335 265 2HB SER 32 2HB SER 32 9.358 -0.589 8.714 266 HG SER 32 HG SER 32 8.466 2.109 8.725 267 H ASP 33 H ASP 33 7.286 -1.846 8.692 268 HA ASP 33 HA ASP 33 7.975 -4.036 6.904 269 1HB ASP 33 1HB ASP 33 7.716 -3.935 9.574 270 2HB ASP 33 2HB ASP 33 6.075 -4.443 9.178 271 H THR 34 H THR 34 6.762 -3.980 5.023 272 HA THR 34 HA THR 34 3.906 -3.339 5.115 273 HB THR 34 HB THR 34 4.085 -3.915 2.627 274 HG1 THR 34 HG1 THR 34 5.895 -4.725 1.985 275 1HG2 THR 34 1HG2 THR 34 5.796 -1.777 3.910 276 2HG2 THR 34 2HG2 THR 34 5.455 -1.835 2.181 277 3HG2 THR 34 3HG2 THR 34 4.138 -1.617 3.332 278 H ALA 35 H ALA 35 4.291 -5.556 6.714 279 HA ALA 35 HA ALA 35 3.944 -8.044 5.309 280 1HB ALA 35 1HB ALA 35 4.692 -7.806 7.713 281 2HB ALA 35 3HB ALA 35 3.402 -8.982 7.464 282 3HB ALA 35 2HB ALA 35 3.028 -7.388 8.119 283 H ASN 36 H ASN 36 1.893 -5.381 5.741 284 HA ASN 36 HA ASN 36 -0.603 -6.901 5.779 285 1HB ASN 36 1HB ASN 36 -0.055 -3.956 5.301 286 2HB ASN 36 2HB ASN 36 -1.657 -4.669 5.493 287 2HD2 ASN 36 2HD2 ASN 36 -0.669 -2.683 7.317 288 1HD2 ASN 36 1HD2 ASN 36 -0.454 -3.416 8.832 289 H LEU 37 H LEU 37 1.684 -6.429 3.407 290 HA LEU 37 HA LEU 37 -0.242 -5.919 1.228 291 1HB LEU 37 1HB LEU 37 2.741 -6.434 1.288 292 2HB LEU 37 2HB LEU 37 1.821 -6.371 -0.219 293 HG LEU 37 HG LEU 37 1.207 -4.104 0.120 294 1HD1 LEU 37 1HD1 LEU 37 2.155 -4.557 2.950 295 2HD1 LEU 37 2HD1 LEU 37 1.982 -2.936 2.284 296 3HD1 LEU 37 3HD1 LEU 37 0.576 -3.993 2.401 297 1HD2 LEU 37 1HD2 LEU 37 4.068 -4.594 0.970 298 2HD2 LEU 37 2HD2 LEU 37 3.474 -4.264 -0.654 299 3HD2 LEU 37 3HD2 LEU 37 3.441 -2.996 0.571 300 H GLN 38 H GLN 38 -1.423 -7.900 2.072 301 HA GLN 38 HA GLN 38 -0.270 -10.426 1.009 302 1HB GLN 38 1HB GLN 38 -2.362 -9.818 3.110 303 2HB GLN 38 2HB GLN 38 -2.207 -11.422 2.397 304 1HG GLN 38 1HG GLN 38 0.207 -10.027 3.523 305 2HG GLN 38 2HG GLN 38 -0.895 -10.898 4.590 306 2HE2 GLN 38 2HE2 GLN 38 -1.537 -13.201 3.429 307 1HE2 GLN 38 1HE2 GLN 38 -0.184 -14.089 2.912 308 HA PRO 39 HA PRO 39 -3.257 -10.401 -2.115 309 1HB PRO 39 1HB PRO 39 -4.122 -13.027 -2.172 310 2HB PRO 39 2HB PRO 39 -2.573 -12.475 -2.835 311 1HG PRO 39 2HG PRO 39 -1.676 -13.973 -1.310 312 2HG PRO 39 1HG PRO 39 -3.112 -13.921 -0.271 313 1HD PRO 39 1HD PRO 39 -1.859 -12.521 1.074 314 2HD PRO 39 2HD PRO 39 -0.681 -12.202 -0.218 315 H GLY 40 H GLY 40 -4.712 -9.034 -1.003 316 1HA GLY 40 1HA GLY 40 -7.264 -9.120 -0.886 317 2HA GLY 40 2HA GLY 40 -7.023 -10.397 0.307 318 H ASP 41 H ASP 41 -4.616 -7.899 0.460 319 HA ASP 41 HA ASP 41 -6.094 -6.755 2.811 320 1HB ASP 41 1HB ASP 41 -3.199 -7.379 2.334 321 2HB ASP 41 2HB ASP 41 -3.637 -6.089 3.455 322 H LYS 42 H LYS 42 -6.003 -4.456 3.085 323 HA LYS 42 HA LYS 42 -5.686 -3.009 0.556 324 1HB LYS 42 2HB LYS 42 -7.539 -2.642 2.309 325 2HB LYS 42 1HB LYS 42 -6.786 -1.207 1.613 326 1HG LYS 42 1HG LYS 42 -5.487 -2.322 4.043 327 2HG LYS 42 2HG LYS 42 -5.751 -0.641 3.576 328 1HD LYS 42 2HD LYS 42 -8.280 -1.207 3.976 329 2HD LYS 42 1HD LYS 42 -7.240 -0.882 5.363 330 1HE LYS 42 1HE LYS 42 -8.782 -3.026 5.336 331 2HE LYS 42 2HE LYS 42 -7.483 -3.696 4.347 332 1HZ LYS 42 1HZ LYS 42 -5.952 -2.844 6.166 333 2HZ LYS 42 2HZ LYS 42 -7.349 -2.687 7.121 334 3HZ LYS 42 3HZ LYS 42 -6.896 -4.209 6.527 335 H LEU 43 H LEU 43 -4.378 -1.056 0.389 336 HA LEU 43 HA LEU 43 -2.041 -0.975 2.231 337 1HB LEU 43 1HB LEU 43 -2.077 -1.850 -0.483 338 2HB LEU 43 2HB LEU 43 -1.238 -0.304 -0.430 339 HG LEU 43 HG LEU 43 -0.505 -2.907 0.850 340 1HD1 LEU 43 1HD1 LEU 43 0.924 -0.631 -0.532 341 2HD1 LEU 43 2HD1 LEU 43 1.763 -2.009 0.184 342 3HD1 LEU 43 3HD1 LEU 43 0.641 -2.256 -1.152 343 1HD2 LEU 43 1HD2 LEU 43 -0.146 -0.185 2.064 344 2HD2 LEU 43 2HD2 LEU 43 -0.425 -1.734 2.862 345 3HD2 LEU 43 3HD2 LEU 43 1.167 -1.354 2.204 346 H THR 44 H THR 44 -1.400 1.096 2.735 347 HA THR 44 HA THR 44 -3.080 3.300 1.992 348 HB THR 44 HB THR 44 -0.713 2.878 3.721 349 HG1 THR 44 HG1 THR 44 -2.126 4.536 4.857 350 1HG2 THR 44 1HG2 THR 44 -1.361 5.579 2.497 351 2HG2 THR 44 2HG2 THR 44 -0.319 5.344 3.898 352 3HG2 THR 44 3HG2 THR 44 0.160 4.697 2.327 353 H LEU 45 H LEU 45 -2.905 4.501 0.163 354 HA LEU 45 HA LEU 45 -0.245 4.552 -1.198 355 1HB LEU 45 1HB LEU 45 -3.041 4.522 -2.293 356 2HB LEU 45 2HB LEU 45 -1.776 5.349 -3.203 357 HG LEU 45 HG LEU 45 -1.313 2.551 -2.218 358 1HD1 LEU 45 1HD1 LEU 45 -2.849 3.440 -4.669 359 2HD1 LEU 45 2HD1 LEU 45 -2.189 1.817 -4.465 360 3HD1 LEU 45 3HD1 LEU 45 -3.438 2.406 -3.365 361 1HD2 LEU 45 1HD2 LEU 45 -0.323 4.322 -4.459 362 2HD2 LEU 45 2HD2 LEU 45 0.628 3.585 -3.165 363 3HD2 LEU 45 3HD2 LEU 45 -0.043 2.584 -4.459 364 H PHE 46 H PHE 46 -0.351 6.265 0.811 365 HA PHE 46 HA PHE 46 -1.654 8.761 0.477 366 1HB PHE 46 1HB PHE 46 0.923 7.915 1.772 367 2HB PHE 46 2HB PHE 46 0.575 9.632 1.602 368 HD1 PHE 46 HD1 PHE 46 -2.380 9.655 1.953 369 HD2 PHE 46 HD2 PHE 46 0.674 7.500 4.071 370 HE1 PHE 46 HE1 PHE 46 -3.839 9.552 3.954 371 HE2 PHE 46 HE2 PHE 46 -0.790 7.393 6.070 372 HZ PHE 46 HZ PHE 46 -3.046 8.421 6.012 373 H VAL 47 H VAL 47 0.887 7.256 -1.220 374 HA VAL 47 HA VAL 47 2.491 9.078 -2.372 375 HB VAL 47 HB VAL 47 2.026 7.693 -4.557 376 1HG1 VAL 47 1HG1 VAL 47 3.113 6.685 -1.940 377 2HG1 VAL 47 2HG1 VAL 47 3.160 5.679 -3.395 378 3HG1 VAL 47 3HG1 VAL 47 3.997 7.241 -3.360 379 1HG2 VAL 47 1HG2 VAL 47 -0.185 6.825 -3.815 380 2HG2 VAL 47 2HG2 VAL 47 0.974 5.513 -4.075 381 3HG2 VAL 47 3HG2 VAL 47 0.598 6.049 -2.439 382 H LYS 48 H LYS 48 -0.890 8.622 -3.224 383 HA LYS 48 HA LYS 48 -0.770 10.799 -5.202 384 1HB LYS 48 1HB LYS 48 -2.225 8.681 -5.394 385 2HB LYS 48 2HB LYS 48 -3.273 9.438 -4.195 386 1HG LYS 48 1HG LYS 48 -4.028 9.922 -6.506 387 2HG LYS 48 2HG LYS 48 -3.558 11.393 -5.653 388 1HD LYS 48 1HD LYS 48 -1.497 11.545 -6.816 389 2HD LYS 48 2HD LYS 48 -1.602 9.878 -7.383 390 1HE LYS 48 2HE LYS 48 -3.917 10.937 -8.393 391 2HE LYS 48 1HE LYS 48 -2.407 10.808 -9.295 392 1HZ LYS 48 1HZ LYS 48 -2.110 13.085 -7.833 393 2HZ LYS 48 2HZ LYS 48 -2.522 13.005 -9.480 394 3HZ LYS 48 3HZ LYS 48 -3.739 13.138 -8.303 No H/Q in entry = 394 Start of MODEL 16 1 H1 ASP 1 1H ASP 1 -5.732 13.252 2.008 2 H2 ASP 1 2H ASP 1 -7.165 13.998 1.481 3 H3 ASP 1 3H ASP 1 -6.971 13.587 3.118 4 HA ASP 1 HA ASP 1 -7.973 11.669 2.715 5 1HB ASP 1 2HB ASP 1 -8.854 12.902 0.651 6 2HB ASP 1 1HB ASP 1 -8.839 11.141 0.551 7 H SER 2 H SER 2 -7.473 9.422 2.045 8 HA SER 2 HA SER 2 -4.625 9.069 1.211 9 1HB SER 2 1HB SER 2 -4.171 7.615 2.965 10 2HB SER 2 2HB SER 2 -5.262 8.745 3.763 11 HG SER 2 HG SER 2 -6.776 7.256 3.811 12 H ILE 3 H ILE 3 -4.261 7.253 -0.103 13 HA ILE 3 HA ILE 3 -6.669 6.095 -1.297 14 HB ILE 3 HB ILE 3 -3.746 5.959 -2.052 15 1HG1 ILE 3 1HG1 ILE 3 -6.148 7.334 -3.288 16 2HG1 ILE 3 2HG1 ILE 3 -4.763 8.117 -2.525 17 1HG2 ILE 3 1HG2 ILE 3 -5.021 3.866 -2.632 18 2HG2 ILE 3 2HG2 ILE 3 -6.120 4.863 -3.586 19 3HG2 ILE 3 3HG2 ILE 3 -4.418 4.745 -4.039 20 1HD1 ILE 3 1HD1 ILE 3 -3.418 6.657 -4.308 21 2HD1 ILE 3 2HD1 ILE 3 -4.947 6.764 -5.183 22 3HD1 ILE 3 3HD1 ILE 3 -4.086 8.235 -4.731 23 H THR 4 H THR 4 -7.129 3.869 -1.225 24 HA THR 4 HA THR 4 -5.273 2.183 0.398 25 HB THR 4 HB THR 4 -8.209 1.700 0.607 26 HG1 THR 4 HG1 THR 4 -6.893 3.624 2.204 27 1HG2 THR 4 1HG2 THR 4 -5.886 0.694 1.777 28 2HG2 THR 4 2HG2 THR 4 -6.589 1.718 3.028 29 3HG2 THR 4 3HG2 THR 4 -7.536 0.406 2.327 30 H TYR 5 H TYR 5 -4.589 0.617 -1.009 31 HA TYR 5 HA TYR 5 -6.612 -0.391 -2.960 32 1HB TYR 5 2HB TYR 5 -4.365 0.878 -3.637 33 2HB TYR 5 1HB TYR 5 -5.059 -0.397 -4.625 34 HD1 TYR 5 HD1 TYR 5 -4.184 -2.857 -4.147 35 HD2 TYR 5 HD2 TYR 5 -2.172 0.724 -2.890 36 HE1 TYR 5 HE1 TYR 5 -2.061 -4.083 -4.053 37 HE2 TYR 5 HE2 TYR 5 -0.038 -0.524 -2.789 38 HH TYR 5 HH TYR 5 0.106 -3.965 -3.699 39 H ARG 6 H ARG 6 -7.031 -2.529 -3.004 40 HA ARG 6 HA ARG 6 -5.764 -4.176 -0.928 41 1HB ARG 6 1HB ARG 6 -8.005 -4.760 -2.888 42 2HB ARG 6 2HB ARG 6 -7.446 -5.888 -1.653 43 1HG ARG 6 1HG ARG 6 -8.134 -3.130 -0.756 44 2HG ARG 6 2HG ARG 6 -9.473 -4.187 -1.207 45 1HD ARG 6 1HD ARG 6 -7.687 -5.747 0.353 46 2HD ARG 6 2HD ARG 6 -7.902 -4.216 1.200 47 HE ARG 6 HE ARG 6 -10.119 -6.075 0.473 48 1HH1 ARG 6 1HH1 ARG 6 -11.547 -3.720 0.709 49 2HH1 ARG 6 2HH1 ARG 6 -11.706 -3.400 2.403 50 1HH2 ARG 6 1HH2 ARG 6 -9.130 -5.538 3.315 51 2HH2 ARG 6 2HH2 ARG 6 -10.337 -4.430 3.881 52 H VAL 7 H VAL 7 -4.074 -5.380 -1.314 53 HA VAL 7 HA VAL 7 -3.026 -5.714 -4.007 54 HB VAL 7 HB VAL 7 -2.075 -7.064 -1.475 55 1HG1 VAL 7 1HG1 VAL 7 -1.091 -6.750 -4.187 56 2HG1 VAL 7 2HG1 VAL 7 0.041 -6.034 -3.026 57 3HG1 VAL 7 3HG1 VAL 7 -0.443 -7.731 -2.869 58 1HG2 VAL 7 1HG2 VAL 7 -2.398 -4.251 -1.986 59 2HG2 VAL 7 2HG2 VAL 7 -1.667 -5.042 -0.574 60 3HG2 VAL 7 3HG2 VAL 7 -0.661 -4.639 -1.973 61 H ARG 8 H ARG 8 -4.000 -7.203 -5.290 62 HA ARG 8 HA ARG 8 -5.033 -9.712 -4.068 63 1HB ARG 8 1HB ARG 8 -5.875 -8.011 -6.252 64 2HB ARG 8 2HB ARG 8 -5.631 -9.661 -6.823 65 1HG ARG 8 1HG ARG 8 -6.955 -10.349 -4.687 66 2HG ARG 8 2HG ARG 8 -7.489 -8.669 -4.671 67 1HD ARG 8 1HD ARG 8 -9.056 -10.179 -5.908 68 2HD ARG 8 2HD ARG 8 -8.403 -8.887 -6.916 69 HE ARG 8 HE ARG 8 -7.003 -10.526 -8.032 70 1HH1 ARG 8 1HH1 ARG 8 -7.009 -12.281 -5.425 71 2HH1 ARG 8 2HH1 ARG 8 -7.803 -13.693 -6.035 72 1HH2 ARG 8 1HH2 ARG 8 -8.935 -12.133 -8.918 73 2HH2 ARG 8 2HH2 ARG 8 -8.893 -13.610 -8.014 74 H LYS 9 H LYS 9 -4.547 -11.772 -5.268 75 HA LYS 9 HA LYS 9 -1.774 -12.152 -5.637 76 1HB LYS 9 2HB LYS 9 -3.349 -14.027 -5.302 77 2HB LYS 9 1HB LYS 9 -2.353 -14.279 -6.735 78 1HG LYS 9 1HG LYS 9 -5.230 -14.094 -6.536 79 2HG LYS 9 2HG LYS 9 -4.624 -12.828 -7.602 80 1HD LYS 9 1HD LYS 9 -3.291 -15.394 -8.045 81 2HD LYS 9 2HD LYS 9 -5.031 -15.482 -8.314 82 1HE LYS 9 2HE LYS 9 -4.227 -13.060 -9.491 83 2HE LYS 9 1HE LYS 9 -4.689 -14.538 -10.330 84 1HZ LYS 9 1HZ LYS 9 -2.333 -15.278 -10.012 85 2HZ LYS 9 2HZ LYS 9 -2.538 -13.971 -11.077 86 3HZ LYS 9 3HZ LYS 9 -1.970 -13.700 -9.502 87 H GLY 10 H GLY 10 -0.429 -12.017 -7.424 88 1HA GLY 10 1HA GLY 10 0.157 -11.645 -9.704 89 2HA GLY 10 2HA GLY 10 -1.554 -11.457 -10.085 90 H ASP 11 H ASP 11 -1.289 -9.539 -7.474 91 HA ASP 11 HA ASP 11 -1.008 -7.122 -9.128 92 1HB ASP 11 1HB ASP 11 -1.777 -7.581 -6.240 93 2HB ASP 11 2HB ASP 11 -1.566 -5.973 -6.923 94 H SER 12 H SER 12 0.721 -5.715 -9.010 95 HA SER 12 HA SER 12 2.956 -6.555 -7.208 96 1HB SER 12 1HB SER 12 2.851 -5.721 -10.026 97 2HB SER 12 2HB SER 12 4.071 -4.866 -9.086 98 HG SER 12 HG SER 12 3.881 -7.543 -9.781 99 H LEU 13 H LEU 13 3.779 -5.018 -5.826 100 HA LEU 13 HA LEU 13 2.271 -2.792 -4.968 101 1HB LEU 13 1HB LEU 13 5.182 -3.530 -4.772 102 2HB LEU 13 2HB LEU 13 4.608 -1.995 -4.128 103 HG LEU 13 HG LEU 13 4.642 -3.915 -2.458 104 1HD1 LEU 13 1HD1 LEU 13 2.503 -2.030 -3.056 105 2HD1 LEU 13 2HD1 LEU 13 1.924 -3.446 -2.166 106 3HD1 LEU 13 3HD1 LEU 13 3.225 -2.450 -1.501 107 1HD2 LEU 13 1HD2 LEU 13 3.815 -5.675 -4.018 108 2HD2 LEU 13 2HD2 LEU 13 2.806 -5.539 -2.576 109 3HD2 LEU 13 3HD2 LEU 13 2.260 -4.841 -4.099 110 H SER 14 H SER 14 5.193 -2.649 -7.042 111 HA SER 14 HA SER 14 4.890 0.110 -7.656 112 1HB SER 14 1HB SER 14 6.446 -2.162 -8.718 113 2HB SER 14 2HB SER 14 6.111 -0.897 -9.896 114 HG SER 14 HG SER 14 7.118 -0.412 -7.288 115 H SER 15 H SER 15 3.683 -2.810 -9.317 116 HA SER 15 HA SER 15 2.554 -1.567 -11.595 117 1HB SER 15 1HB SER 15 2.557 -3.901 -11.713 118 2HB SER 15 2HB SER 15 1.933 -4.074 -10.076 119 HG SER 15 HG SER 15 0.574 -3.276 -12.426 120 H ILE 16 H ILE 16 1.095 -2.252 -8.466 121 HA ILE 16 HA ILE 16 -1.476 -1.171 -8.984 122 HB ILE 16 HB ILE 16 0.147 -1.445 -6.447 123 1HG1 ILE 16 2HG1 ILE 16 -1.636 -3.117 -7.967 124 2HG1 ILE 16 1HG1 ILE 16 -2.380 -2.766 -6.406 125 1HG2 ILE 16 1HG2 ILE 16 -2.207 0.207 -6.967 126 2HG2 ILE 16 2HG2 ILE 16 -2.487 -0.984 -5.703 127 3HG2 ILE 16 3HG2 ILE 16 -1.160 0.169 -5.549 128 1HD1 ILE 16 1HD1 ILE 16 0.337 -3.283 -5.859 129 2HD1 ILE 16 2HD1 ILE 16 -1.039 -4.321 -5.488 130 3HD1 ILE 16 3HD1 ILE 16 -0.166 -4.523 -7.007 131 H ALA 17 H ALA 17 1.501 0.360 -7.725 132 HA ALA 17 HA ALA 17 0.532 2.978 -7.319 133 1HB ALA 17 2HB ALA 17 2.994 3.331 -8.600 134 2HB ALA 17 1HB ALA 17 3.117 1.748 -7.837 135 3HB ALA 17 3HB ALA 17 2.728 3.168 -6.865 136 H LYS 18 H LYS 18 1.749 1.475 -10.335 137 HA LYS 18 HA LYS 18 1.567 3.650 -12.081 138 1HB LYS 18 1HB LYS 18 2.405 1.375 -12.688 139 2HB LYS 18 2HB LYS 18 0.734 0.812 -12.740 140 1HG LYS 18 1HG LYS 18 0.333 1.806 -14.739 141 2HG LYS 18 2HG LYS 18 1.209 3.269 -14.289 142 1HD LYS 18 1HD LYS 18 3.028 1.025 -14.559 143 2HD LYS 18 2HD LYS 18 2.094 1.258 -16.037 144 1HE LYS 18 1HE LYS 18 2.841 3.489 -16.296 145 2HE LYS 18 2HE LYS 18 3.407 3.580 -14.627 146 1HZ LYS 18 1HZ LYS 18 4.598 1.485 -16.237 147 2HZ LYS 18 2HZ LYS 18 4.992 3.070 -16.708 148 3HZ LYS 18 3HZ LYS 18 5.320 2.544 -15.126 149 H ARG 19 H ARG 19 -1.081 1.545 -10.963 150 HA ARG 19 HA ARG 19 -3.129 2.502 -12.669 151 1HB ARG 19 1HB ARG 19 -3.003 1.177 -10.027 152 2HB ARG 19 2HB ARG 19 -4.481 2.085 -10.339 153 1HG ARG 19 1HG ARG 19 -5.162 0.670 -11.997 154 2HG ARG 19 2HG ARG 19 -3.516 0.386 -12.570 155 1HD ARG 19 2HD ARG 19 -3.307 -0.831 -10.199 156 2HD ARG 19 1HD ARG 19 -3.926 -1.674 -11.618 157 HE ARG 19 HE ARG 19 -6.239 -0.795 -10.661 158 1HH1 ARG 19 1HH1 ARG 19 -4.388 -0.177 -8.165 159 2HH1 ARG 19 2HH1 ARG 19 -4.874 -1.483 -7.137 160 1HH2 ARG 19 1HH2 ARG 19 -6.481 -3.227 -9.669 161 2HH2 ARG 19 2HH2 ARG 19 -6.059 -3.211 -7.989 162 H HIS 20 H HIS 20 -1.684 3.958 -9.801 163 HA HIS 20 HA HIS 20 -3.539 6.280 -10.137 164 1HB HIS 20 2HB HIS 20 -3.731 6.410 -7.891 165 2HB HIS 20 1HB HIS 20 -1.995 6.297 -7.672 166 HD1 HIS 20 HD1 HIS 20 -5.115 4.263 -7.616 167 HD2 HIS 20 HD2 HIS 20 -1.016 3.602 -7.328 168 HE1 HIS 20 HE1 HIS 20 -4.803 1.913 -6.714 169 H GLY 21 H GLY 21 -0.624 5.450 -11.222 170 1HA GLY 21 1HA GLY 21 1.380 6.604 -11.676 171 2HA GLY 21 2HA GLY 21 0.360 8.049 -11.682 172 H VAL 22 H VAL 22 1.361 5.747 -9.152 173 HA VAL 22 HA VAL 22 2.147 8.107 -7.496 174 HB VAL 22 HB VAL 22 1.687 6.242 -5.641 175 1HG1 VAL 22 1HG1 VAL 22 -0.084 8.200 -7.043 176 2HG1 VAL 22 2HG1 VAL 22 -0.805 7.141 -5.827 177 3HG1 VAL 22 3HG1 VAL 22 0.519 8.222 -5.384 178 1HG2 VAL 22 1HG2 VAL 22 1.053 4.668 -7.590 179 2HG2 VAL 22 2HG2 VAL 22 -0.021 4.731 -6.196 180 3HG2 VAL 22 3HG2 VAL 22 -0.439 5.606 -7.671 181 H ASN 23 H ASN 23 3.674 7.409 -5.643 182 HA ASN 23 HA ASN 23 5.867 5.789 -6.856 183 1HB ASN 23 1HB ASN 23 6.327 7.482 -4.443 184 2HB ASN 23 2HB ASN 23 7.387 7.174 -5.818 185 2HD2 ASN 23 2HD2 ASN 23 7.371 8.695 -7.520 186 1HD2 ASN 23 1HD2 ASN 23 6.311 10.018 -7.597 187 H ILE 24 H ILE 24 5.256 3.719 -6.163 188 HA ILE 24 HA ILE 24 4.250 3.000 -3.648 189 HB ILE 24 HB ILE 24 6.188 1.407 -5.348 190 1HG1 ILE 24 1HG1 ILE 24 4.196 2.229 -6.545 191 2HG1 ILE 24 2HG1 ILE 24 4.148 0.487 -6.323 192 1HG2 ILE 24 1HG2 ILE 24 4.501 0.833 -2.964 193 2HG2 ILE 24 2HG2 ILE 24 4.515 -0.378 -4.258 194 3HG2 ILE 24 3HG2 ILE 24 6.025 0.092 -3.466 195 1HD1 ILE 24 1HD1 ILE 24 2.748 2.478 -4.491 196 2HD1 ILE 24 2HD1 ILE 24 1.958 1.573 -5.792 197 3HD1 ILE 24 3HD1 ILE 24 2.641 0.697 -4.422 198 H LYS 25 H LYS 25 7.486 3.993 -4.531 199 HA LYS 25 HA LYS 25 8.884 3.006 -2.240 200 1HB LYS 25 1HB LYS 25 10.235 5.234 -2.598 201 2HB LYS 25 2HB LYS 25 10.339 3.952 -3.800 202 1HG LYS 25 1HG LYS 25 9.325 5.216 -5.387 203 2HG LYS 25 2HG LYS 25 8.086 5.774 -4.267 204 1HD LYS 25 2HD LYS 25 10.014 7.220 -3.251 205 2HD LYS 25 1HD LYS 25 9.240 7.750 -4.745 206 1HE LYS 25 1HE LYS 25 11.276 5.984 -5.549 207 2HE LYS 25 2HE LYS 25 11.279 7.740 -5.706 208 1HZ LYS 25 1HZ LYS 25 11.972 6.636 -3.099 209 2HZ LYS 25 2HZ LYS 25 13.114 6.443 -4.342 210 3HZ LYS 25 3HZ LYS 25 12.589 7.998 -3.898 211 H ASP 26 H ASP 26 6.979 5.972 -2.810 212 HA ASP 26 HA ASP 26 7.338 7.094 -0.205 213 1HB ASP 26 1HB ASP 26 4.918 7.303 -2.015 214 2HB ASP 26 2HB ASP 26 5.264 8.346 -0.643 215 H VAL 27 H VAL 27 5.085 4.780 -1.596 216 HA VAL 27 HA VAL 27 3.428 4.419 0.711 217 HB VAL 27 HB VAL 27 4.308 2.242 -1.205 218 1HG1 VAL 27 1HG1 VAL 27 2.449 2.425 1.027 219 2HG1 VAL 27 2HG1 VAL 27 1.631 1.946 -0.462 220 3HG1 VAL 27 3HG1 VAL 27 2.992 1.000 0.140 221 1HG2 VAL 27 1HG2 VAL 27 3.416 4.391 -2.246 222 2HG2 VAL 27 2HG2 VAL 27 2.518 2.924 -2.643 223 3HG2 VAL 27 3HG2 VAL 27 1.892 4.046 -1.432 224 H MET 28 H MET 28 6.527 2.916 -0.222 225 HA MET 28 HA MET 28 6.709 1.332 2.217 226 1HB MET 28 2HB MET 28 8.965 0.831 1.490 227 2HB MET 28 1HB MET 28 8.959 2.193 0.372 228 1HG MET 28 1HG MET 28 7.061 1.094 -0.851 229 2HG MET 28 2HG MET 28 8.554 0.159 -0.891 230 1HE MET 28 1HE MET 28 6.705 -1.450 -1.808 231 2HE MET 28 2HE MET 28 5.637 -2.426 -0.802 232 3HE MET 28 3HE MET 28 5.203 -0.760 -1.177 233 H ARG 29 H ARG 29 7.134 4.619 1.421 234 HA ARG 29 HA ARG 29 9.180 5.258 3.385 235 1HB ARG 29 1HB ARG 29 8.566 6.658 1.348 236 2HB ARG 29 2HB ARG 29 7.110 7.133 2.219 237 1HG ARG 29 1HG ARG 29 8.729 7.784 4.141 238 2HG ARG 29 2HG ARG 29 9.980 7.735 2.896 239 1HD ARG 29 1HD ARG 29 8.687 9.335 1.532 240 2HD ARG 29 2HD ARG 29 7.443 9.393 2.780 241 HE ARG 29 HE ARG 29 10.211 10.466 3.079 242 1HH1 ARG 29 1HH1 ARG 29 7.008 11.304 3.238 243 2HH1 ARG 29 2HH1 ARG 29 7.068 12.013 4.817 244 1HH2 ARG 29 1HH2 ARG 29 10.272 10.876 5.499 245 2HH2 ARG 29 2HH2 ARG 29 8.916 11.772 6.095 246 H TRP 30 H TRP 30 5.595 5.445 3.313 247 HA TRP 30 HA TRP 30 5.553 6.373 6.109 248 1HB TRP 30 2HB TRP 30 3.162 6.402 5.911 249 2HB TRP 30 1HB TRP 30 3.203 5.338 4.504 250 HD1 TRP 30 HD1 TRP 30 4.614 8.811 5.493 251 HE1 TRP 30 HE1 TRP 30 4.537 10.316 3.398 252 HE3 TRP 30 HE3 TRP 30 2.772 5.485 2.113 253 HZ2 TRP 30 HZ2 TRP 30 3.785 10.120 0.639 254 HZ3 TRP 30 HZ3 TRP 30 2.383 6.154 -0.231 255 HH2 TRP 30 HH2 TRP 30 2.886 8.464 -0.983 256 H ASN 31 H ASN 31 4.953 3.338 4.352 257 HA ASN 31 HA ASN 31 4.481 1.979 6.954 258 1HB ASN 31 1HB ASN 31 4.404 0.799 4.167 259 2HB ASN 31 2HB ASN 31 3.809 0.060 5.654 260 2HD2 ASN 31 2HD2 ASN 31 3.155 2.623 3.272 261 1HD2 ASN 31 1HD2 ASN 31 1.562 2.918 3.775 262 H SER 32 H SER 32 5.990 0.652 7.856 263 HA SER 32 HA SER 32 8.658 0.594 6.604 264 1HB SER 32 1HB SER 32 7.592 0.310 9.314 265 2HB SER 32 2HB SER 32 8.843 -0.872 8.938 266 HG SER 32 HG SER 32 10.226 0.791 8.420 267 H ASP 33 H ASP 33 7.181 -1.975 8.469 268 HA ASP 33 HA ASP 33 8.131 -3.950 6.520 269 1HB ASP 33 1HB ASP 33 6.495 -4.279 9.058 270 2HB ASP 33 2HB ASP 33 7.169 -5.603 8.106 271 H THR 34 H THR 34 6.923 -4.051 4.669 272 HA THR 34 HA THR 34 4.028 -3.552 4.774 273 HB THR 34 HB THR 34 4.223 -4.007 2.276 274 HG1 THR 34 HG1 THR 34 6.013 -4.971 1.780 275 1HG2 THR 34 1HG2 THR 34 4.737 -1.769 3.769 276 2HG2 THR 34 2HG2 THR 34 6.213 -1.906 2.813 277 3HG2 THR 34 3HG2 THR 34 4.647 -1.795 2.007 278 H ALA 35 H ALA 35 4.721 -5.827 6.279 279 HA ALA 35 HA ALA 35 4.427 -8.258 4.769 280 1HB ALA 35 3HB ALA 35 4.954 -9.129 6.775 281 2HB ALA 35 1HB ALA 35 4.821 -7.526 7.499 282 3HB ALA 35 2HB ALA 35 3.408 -8.580 7.423 283 H ASN 36 H ASN 36 2.241 -5.766 5.392 284 HA ASN 36 HA ASN 36 -0.126 -7.481 5.593 285 1HB ASN 36 1HB ASN 36 0.290 -4.495 5.350 286 2HB ASN 36 2HB ASN 36 -1.313 -5.231 5.312 287 2HD2 ASN 36 2HD2 ASN 36 1.394 -4.408 7.391 288 1HD2 ASN 36 1HD2 ASN 36 0.675 -4.911 8.846 289 H LEU 37 H LEU 37 1.937 -6.796 3.085 290 HA LEU 37 HA LEU 37 -0.122 -6.252 1.059 291 1HB LEU 37 1HB LEU 37 2.845 -6.817 0.918 292 2HB LEU 37 2HB LEU 37 1.839 -6.737 -0.529 293 HG LEU 37 HG LEU 37 1.342 -4.471 -0.222 294 1HD1 LEU 37 1HD1 LEU 37 2.241 -4.867 2.639 295 2HD1 LEU 37 2HD1 LEU 37 1.963 -3.276 1.936 296 3HD1 LEU 37 3HD1 LEU 37 0.632 -4.426 2.067 297 1HD2 LEU 37 1HD2 LEU 37 4.161 -4.983 0.753 298 2HD2 LEU 37 2HD2 LEU 37 3.641 -4.680 -0.903 299 3HD2 LEU 37 3HD2 LEU 37 3.567 -3.386 0.294 300 H GLN 38 H GLN 38 -1.311 -8.232 1.883 301 HA GLN 38 HA GLN 38 -0.273 -10.726 0.631 302 1HB GLN 38 1HB GLN 38 -2.215 -11.734 2.086 303 2HB GLN 38 2HB GLN 38 -0.704 -11.292 2.875 304 1HG GLN 38 1HG GLN 38 -1.674 -9.124 3.528 305 2HG GLN 38 2HG GLN 38 -3.185 -9.558 2.729 306 2HE2 GLN 38 2HE2 GLN 38 -1.036 -10.471 5.436 307 1HE2 GLN 38 1HE2 GLN 38 -2.232 -11.289 6.319 308 HA PRO 39 HA PRO 39 -3.429 -10.488 -2.294 309 1HB PRO 39 1HB PRO 39 -4.419 -13.071 -2.394 310 2HB PRO 39 2HB PRO 39 -2.889 -12.560 -3.129 311 1HG PRO 39 2HG PRO 39 -1.978 -14.159 -1.714 312 2HG PRO 39 1HG PRO 39 -3.343 -14.073 -0.585 313 1HD PRO 39 1HD PRO 39 -1.924 -12.790 0.717 314 2HD PRO 39 2HD PRO 39 -0.833 -12.462 -0.647 315 H GLY 40 H GLY 40 -4.751 -9.093 -1.033 316 1HA GLY 40 1HA GLY 40 -7.321 -9.137 -0.818 317 2HA GLY 40 2HA GLY 40 -7.033 -10.404 0.373 318 H ASP 41 H ASP 41 -4.551 -7.998 0.463 319 HA ASP 41 HA ASP 41 -5.947 -6.799 2.838 320 1HB ASP 41 1HB ASP 41 -3.216 -7.745 2.380 321 2HB ASP 41 2HB ASP 41 -3.277 -6.118 3.056 322 H LYS 42 H LYS 42 -5.823 -4.503 3.118 323 HA LYS 42 HA LYS 42 -5.624 -3.049 0.581 324 1HB LYS 42 2HB LYS 42 -7.393 -2.661 2.396 325 2HB LYS 42 1HB LYS 42 -6.622 -1.225 1.727 326 1HG LYS 42 1HG LYS 42 -5.075 -2.244 3.949 327 2HG LYS 42 2HG LYS 42 -5.814 -0.655 3.749 328 1HD LYS 42 1HD LYS 42 -7.772 -2.768 4.294 329 2HD LYS 42 2HD LYS 42 -6.599 -2.563 5.595 330 1HE LYS 42 1HE LYS 42 -7.179 0.042 4.983 331 2HE LYS 42 2HE LYS 42 -8.731 -0.738 4.678 332 1HZ LYS 42 1HZ LYS 42 -7.164 -1.172 7.156 333 2HZ LYS 42 2HZ LYS 42 -8.349 0.034 7.015 334 3HZ LYS 42 3HZ LYS 42 -8.781 -1.602 6.857 335 H LEU 43 H LEU 43 -4.333 -1.043 0.431 336 HA LEU 43 HA LEU 43 -1.896 -1.041 2.141 337 1HB LEU 43 1HB LEU 43 -2.105 -1.837 -0.622 338 2HB LEU 43 2HB LEU 43 -1.096 -0.399 -0.491 339 HG LEU 43 HG LEU 43 -0.718 -3.096 0.815 340 1HD1 LEU 43 1HD1 LEU 43 0.666 -1.361 -1.160 341 2HD1 LEU 43 2HD1 LEU 43 1.685 -2.311 -0.080 342 3HD1 LEU 43 3HD1 LEU 43 0.506 -3.115 -1.116 343 1HD2 LEU 43 1HD2 LEU 43 -0.084 -0.481 1.944 344 2HD2 LEU 43 2HD2 LEU 43 0.074 -2.081 2.677 345 3HD2 LEU 43 3HD2 LEU 43 1.372 -1.437 1.670 346 H THR 44 H THR 44 -1.197 1.020 2.618 347 HA THR 44 HA THR 44 -2.868 3.249 1.944 348 HB THR 44 HB THR 44 -0.402 2.815 3.543 349 HG1 THR 44 HG1 THR 44 -2.707 2.935 4.221 350 1HG2 THR 44 1HG2 THR 44 -1.213 5.512 2.416 351 2HG2 THR 44 2HG2 THR 44 -0.120 5.306 3.783 352 3HG2 THR 44 3HG2 THR 44 0.339 4.702 2.187 353 H LEU 45 H LEU 45 -2.782 4.373 0.069 354 HA LEU 45 HA LEU 45 -0.173 4.455 -1.385 355 1HB LEU 45 1HB LEU 45 -3.011 4.410 -2.356 356 2HB LEU 45 2HB LEU 45 -1.802 5.263 -3.314 357 HG LEU 45 HG LEU 45 -1.296 2.449 -2.389 358 1HD1 LEU 45 1HD1 LEU 45 -2.838 3.397 -4.813 359 2HD1 LEU 45 2HD1 LEU 45 -2.218 1.756 -4.616 360 3HD1 LEU 45 3HD1 LEU 45 -3.449 2.373 -3.513 361 1HD2 LEU 45 1HD2 LEU 45 -0.344 4.257 -4.617 362 2HD2 LEU 45 2HD2 LEU 45 0.630 3.528 -3.337 363 3HD2 LEU 45 3HD2 LEU 45 -0.044 2.522 -4.626 364 H PHE 46 H PHE 46 -0.254 6.166 0.655 365 HA PHE 46 HA PHE 46 -1.558 8.659 0.348 366 1HB PHE 46 1HB PHE 46 0.931 7.718 1.680 367 2HB PHE 46 2HB PHE 46 0.822 9.448 1.367 368 HD1 PHE 46 HD1 PHE 46 -2.079 9.943 1.681 369 HD2 PHE 46 HD2 PHE 46 0.593 7.483 3.977 370 HE1 PHE 46 HE1 PHE 46 -3.547 10.197 3.664 371 HE2 PHE 46 HE2 PHE 46 -0.871 7.737 5.960 372 HZ PHE 46 HZ PHE 46 -2.944 9.094 5.804 373 H VAL 47 H VAL 47 0.961 7.163 -1.392 374 HA VAL 47 HA VAL 47 2.549 8.982 -2.563 375 HB VAL 47 HB VAL 47 2.047 7.611 -4.748 376 1HG1 VAL 47 1HG1 VAL 47 3.159 6.594 -2.146 377 2HG1 VAL 47 2HG1 VAL 47 3.169 5.575 -3.591 378 3HG1 VAL 47 3HG1 VAL 47 4.029 7.123 -3.587 379 1HG2 VAL 47 1HG2 VAL 47 0.613 5.988 -2.621 380 2HG2 VAL 47 2HG2 VAL 47 -0.159 6.752 -4.009 381 3HG2 VAL 47 3HG2 VAL 47 0.991 5.425 -4.246 382 H LYS 48 H LYS 48 -0.847 8.550 -3.378 383 HA LYS 48 HA LYS 48 -0.720 11.138 -4.871 384 1HB LYS 48 1HB LYS 48 -1.290 9.481 -6.476 385 2HB LYS 48 2HB LYS 48 -2.375 8.657 -5.355 386 1HG LYS 48 1HG LYS 48 -4.103 10.021 -5.871 387 2HG LYS 48 2HG LYS 48 -3.095 11.465 -5.778 388 1HD LYS 48 1HD LYS 48 -2.254 11.106 -8.017 389 2HD LYS 48 2HD LYS 48 -3.062 9.539 -8.116 390 1HE LYS 48 1HE LYS 48 -4.660 10.795 -9.184 391 2HE LYS 48 2HE LYS 48 -5.193 11.072 -7.527 392 1HZ LYS 48 1HZ LYS 48 -3.227 12.824 -8.879 393 2HZ LYS 48 2HZ LYS 48 -4.901 13.105 -8.956 394 3HZ LYS 48 3HZ LYS 48 -4.099 13.133 -7.458 No H/Q in entry = 394 Start of MODEL 17 1 H1 ASP 1 1H ASP 1 -7.726 12.730 0.369 2 H2 ASP 1 2H ASP 1 -9.129 13.278 1.156 3 H3 ASP 1 3H ASP 1 -7.614 13.426 1.910 4 HA ASP 1 HA ASP 1 -8.485 11.597 2.979 5 1HB ASP 1 2HB ASP 1 -10.482 11.462 1.488 6 2HB ASP 1 1HB ASP 1 -9.794 9.876 1.836 7 H SER 2 H SER 2 -7.735 9.229 2.900 8 HA SER 2 HA SER 2 -5.075 9.165 1.569 9 1HB SER 2 1HB SER 2 -4.610 7.299 3.143 10 2HB SER 2 2HB SER 2 -5.086 8.768 3.987 11 HG SER 2 HG SER 2 -6.807 7.781 4.677 12 H ILE 3 H ILE 3 -4.463 7.294 0.328 13 HA ILE 3 HA ILE 3 -6.743 5.988 -0.960 14 HB ILE 3 HB ILE 3 -3.787 5.925 -1.601 15 1HG1 ILE 3 1HG1 ILE 3 -6.129 7.378 -2.870 16 2HG1 ILE 3 2HG1 ILE 3 -4.765 8.115 -2.025 17 1HG2 ILE 3 1HG2 ILE 3 -5.272 3.901 -2.266 18 2HG2 ILE 3 2HG2 ILE 3 -6.025 5.017 -3.405 19 3HG2 ILE 3 3HG2 ILE 3 -4.301 4.665 -3.528 20 1HD1 ILE 3 1HD1 ILE 3 -4.037 6.282 -4.240 21 2HD1 ILE 3 2HD1 ILE 3 -4.849 7.770 -4.726 22 3HD1 ILE 3 3HD1 ILE 3 -3.350 7.847 -3.799 23 H THR 4 H THR 4 -7.142 3.780 -0.816 24 HA THR 4 HA THR 4 -5.222 2.151 0.786 25 HB THR 4 HB THR 4 -8.158 1.638 1.033 26 HG1 THR 4 HG1 THR 4 -6.725 3.584 2.518 27 1HG2 THR 4 1HG2 THR 4 -5.851 0.533 2.093 28 2HG2 THR 4 2HG2 THR 4 -6.435 1.567 3.398 29 3HG2 THR 4 3HG2 THR 4 -7.478 0.311 2.733 30 H TYR 5 H TYR 5 -4.522 0.595 -0.631 31 HA TYR 5 HA TYR 5 -6.538 -0.433 -2.580 32 1HB TYR 5 1HB TYR 5 -4.961 -0.469 -4.227 33 2HB TYR 5 2HB TYR 5 -4.301 0.834 -3.253 34 HD1 TYR 5 HD1 TYR 5 -4.050 -2.896 -3.743 35 HD2 TYR 5 HD2 TYR 5 -2.129 0.709 -2.417 36 HE1 TYR 5 HE1 TYR 5 -1.910 -4.087 -3.605 37 HE2 TYR 5 HE2 TYR 5 0.019 -0.507 -2.253 38 HH TYR 5 HH TYR 5 0.260 -3.913 -3.256 39 H ARG 6 H ARG 6 -6.873 -2.600 -2.739 40 HA ARG 6 HA ARG 6 -5.666 -4.246 -0.617 41 1HB ARG 6 1HB ARG 6 -8.175 -4.214 -1.976 42 2HB ARG 6 2HB ARG 6 -7.400 -5.760 -2.328 43 1HG ARG 6 1HG ARG 6 -6.864 -5.590 0.312 44 2HG ARG 6 2HG ARG 6 -8.372 -4.676 0.265 45 1HD ARG 6 1HD ARG 6 -8.219 -7.287 -1.197 46 2HD ARG 6 2HD ARG 6 -8.415 -7.302 0.554 47 HE ARG 6 HE ARG 6 -10.321 -5.487 -0.483 48 1HH1 ARG 6 1HH1 ARG 6 -9.799 -8.737 0.353 49 2HH1 ARG 6 2HH1 ARG 6 -11.303 -9.306 -0.287 50 1HH2 ARG 6 1HH2 ARG 6 -12.158 -6.264 -1.715 51 2HH2 ARG 6 2HH2 ARG 6 -12.638 -7.908 -1.455 52 H VAL 7 H VAL 7 -3.934 -5.399 -0.982 53 HA VAL 7 HA VAL 7 -2.830 -5.712 -3.655 54 HB VAL 7 HB VAL 7 -1.909 -7.098 -1.134 55 1HG1 VAL 7 1HG1 VAL 7 -0.880 -6.693 -3.808 56 2HG1 VAL 7 2HG1 VAL 7 0.210 -5.965 -2.614 57 3HG1 VAL 7 3HG1 VAL 7 -0.223 -7.679 -2.499 58 1HG2 VAL 7 1HG2 VAL 7 -2.275 -4.276 -1.563 59 2HG2 VAL 7 2HG2 VAL 7 -1.565 -5.099 -0.159 60 3HG2 VAL 7 3HG2 VAL 7 -0.530 -4.636 -1.518 61 H ARG 8 H ARG 8 -3.760 -7.208 -4.976 62 HA ARG 8 HA ARG 8 -4.821 -9.719 -3.783 63 1HB ARG 8 1HB ARG 8 -5.200 -8.383 -6.470 64 2HB ARG 8 2HB ARG 8 -5.758 -10.024 -6.142 65 1HG ARG 8 1HG ARG 8 -7.578 -9.233 -5.088 66 2HG ARG 8 2HG ARG 8 -6.562 -8.310 -3.980 67 1HD ARG 8 1HD ARG 8 -6.326 -6.637 -5.965 68 2HD ARG 8 2HD ARG 8 -7.756 -7.444 -6.605 69 HE ARG 8 HE ARG 8 -7.770 -5.537 -4.477 70 1HH1 ARG 8 1HH1 ARG 8 -8.406 -8.090 -2.991 71 2HH1 ARG 8 2HH1 ARG 8 -10.130 -8.152 -3.123 72 1HH2 ARG 8 1HH2 ARG 8 -10.287 -5.822 -5.684 73 2HH2 ARG 8 2HH2 ARG 8 -11.196 -6.866 -4.643 74 H LYS 9 H LYS 9 -4.291 -11.785 -4.937 75 HA LYS 9 HA LYS 9 -1.508 -12.172 -5.221 76 1HB LYS 9 1HB LYS 9 -2.070 -14.299 -6.353 77 2HB LYS 9 2HB LYS 9 -3.054 -14.056 -4.910 78 1HG LYS 9 2HG LYS 9 -4.554 -12.824 -6.882 79 2HG LYS 9 1HG LYS 9 -4.831 -14.451 -6.262 80 1HD LYS 9 1HD LYS 9 -3.055 -13.742 -8.619 81 2HD LYS 9 2HD LYS 9 -3.352 -15.370 -8.008 82 1HE LYS 9 1HE LYS 9 -5.361 -15.504 -9.041 83 2HE LYS 9 2HE LYS 9 -5.822 -13.881 -8.528 84 1HZ LYS 9 1HZ LYS 9 -4.132 -13.133 -10.289 85 2HZ LYS 9 2HZ LYS 9 -4.295 -14.705 -10.913 86 3HZ LYS 9 3HZ LYS 9 -5.649 -13.690 -10.811 87 H GLY 10 H GLY 10 -0.114 -12.007 -6.955 88 1HA GLY 10 1HA GLY 10 0.525 -11.675 -9.234 89 2HA GLY 10 2HA GLY 10 -1.176 -11.479 -9.656 90 H ASP 11 H ASP 11 -1.118 -9.543 -7.113 91 HA ASP 11 HA ASP 11 -0.674 -7.138 -8.735 92 1HB ASP 11 1HB ASP 11 -1.641 -7.558 -5.898 93 2HB ASP 11 2HB ASP 11 -1.422 -5.968 -6.617 94 H SER 12 H SER 12 0.979 -5.643 -8.379 95 HA SER 12 HA SER 12 3.080 -6.508 -6.432 96 1HB SER 12 1HB SER 12 3.905 -4.757 -8.655 97 2HB SER 12 2HB SER 12 4.692 -6.190 -8.003 98 HG SER 12 HG SER 12 3.209 -7.454 -9.145 99 H LEU 13 H LEU 13 3.962 -4.904 -5.134 100 HA LEU 13 HA LEU 13 2.430 -2.673 -4.323 101 1HB LEU 13 1HB LEU 13 5.348 -3.381 -4.121 102 2HB LEU 13 2HB LEU 13 4.762 -1.835 -3.516 103 HG LEU 13 HG LEU 13 4.805 -3.628 -1.757 104 1HD1 LEU 13 1HD1 LEU 13 2.598 -1.913 -2.499 105 2HD1 LEU 13 2HD1 LEU 13 2.021 -3.355 -1.651 106 3HD1 LEU 13 3HD1 LEU 13 3.219 -2.299 -0.893 107 1HD2 LEU 13 1HD2 LEU 13 4.085 -5.453 -3.433 108 2HD2 LEU 13 2HD2 LEU 13 3.327 -5.489 -1.842 109 3HD2 LEU 13 3HD2 LEU 13 2.444 -4.830 -3.219 110 H SER 14 H SER 14 5.329 -2.573 -6.426 111 HA SER 14 HA SER 14 5.000 0.171 -7.105 112 1HB SER 14 1HB SER 14 6.664 -2.057 -7.969 113 2HB SER 14 2HB SER 14 6.200 -1.036 -9.328 114 HG SER 14 HG SER 14 8.138 -0.494 -7.894 115 H SER 15 H SER 15 3.860 -2.808 -8.712 116 HA SER 15 HA SER 15 2.724 -1.651 -11.023 117 1HB SER 15 1HB SER 15 2.967 -4.149 -10.380 118 2HB SER 15 2HB SER 15 1.417 -3.938 -9.570 119 HG SER 15 HG SER 15 0.778 -4.432 -11.551 120 H ILE 16 H ILE 16 1.204 -2.303 -7.911 121 HA ILE 16 HA ILE 16 -1.354 -1.216 -8.505 122 HB ILE 16 HB ILE 16 0.194 -1.507 -5.925 123 1HG1 ILE 16 2HG1 ILE 16 -1.557 -3.155 -7.513 124 2HG1 ILE 16 1HG1 ILE 16 -2.328 -2.825 -5.961 125 1HG2 ILE 16 1HG2 ILE 16 -2.121 0.171 -6.502 126 2HG2 ILE 16 2HG2 ILE 16 -2.475 -1.045 -5.283 127 3HG2 ILE 16 3HG2 ILE 16 -1.143 0.085 -5.038 128 1HD1 ILE 16 1HD1 ILE 16 0.339 -3.351 -5.314 129 2HD1 ILE 16 2HD1 ILE 16 -1.025 -4.446 -5.092 130 3HD1 ILE 16 3HD1 ILE 16 -0.051 -4.536 -6.559 131 H ALA 17 H ALA 17 1.596 0.325 -7.189 132 HA ALA 17 HA ALA 17 0.633 2.942 -6.776 133 1HB ALA 17 2HB ALA 17 3.087 3.227 -8.151 134 2HB ALA 17 1HB ALA 17 3.199 1.709 -7.264 135 3HB ALA 17 3HB ALA 17 2.834 3.207 -6.406 136 H LYS 18 H LYS 18 1.839 1.436 -9.794 137 HA LYS 18 HA LYS 18 1.600 3.593 -11.567 138 1HB LYS 18 1HB LYS 18 2.264 1.003 -11.870 139 2HB LYS 18 2HB LYS 18 0.636 0.955 -12.549 140 1HG LYS 18 1HG LYS 18 1.692 3.259 -13.659 141 2HG LYS 18 2HG LYS 18 3.073 2.161 -13.643 142 1HD LYS 18 1HD LYS 18 2.033 0.612 -15.036 143 2HD LYS 18 2HD LYS 18 0.412 1.148 -14.592 144 1HE LYS 18 1HE LYS 18 2.375 2.799 -16.208 145 2HE LYS 18 2HE LYS 18 1.067 1.843 -16.904 146 1HZ LYS 18 1HZ LYS 18 -0.221 3.253 -15.024 147 2HZ LYS 18 2HZ LYS 18 0.967 4.368 -15.505 148 3HZ LYS 18 3HZ LYS 18 -0.103 3.716 -16.652 149 H ARG 19 H ARG 19 -0.961 1.435 -10.382 150 HA ARG 19 HA ARG 19 -3.065 2.252 -12.092 151 1HB ARG 19 1HB ARG 19 -2.945 0.460 -10.141 152 2HB ARG 19 2HB ARG 19 -3.600 1.786 -9.179 153 1HG ARG 19 1HG ARG 19 -5.589 1.853 -10.373 154 2HG ARG 19 2HG ARG 19 -4.859 1.172 -11.828 155 1HD ARG 19 1HD ARG 19 -4.620 -0.722 -9.677 156 2HD ARG 19 2HD ARG 19 -6.301 -0.208 -9.813 157 HE ARG 19 HE ARG 19 -4.816 -1.156 -12.224 158 1HH1 ARG 19 1HH1 ARG 19 -7.822 -0.268 -11.768 159 2HH1 ARG 19 2HH1 ARG 19 -8.588 -1.815 -11.919 160 1HH2 ARG 19 1HH2 ARG 19 -5.627 -3.600 -11.657 161 2HH2 ARG 19 2HH2 ARG 19 -7.344 -3.702 -11.857 162 H HIS 20 H HIS 20 -1.616 3.864 -9.319 163 HA HIS 20 HA HIS 20 -3.561 6.109 -9.683 164 1HB HIS 20 2HB HIS 20 -3.702 6.311 -7.435 165 2HB HIS 20 1HB HIS 20 -1.960 6.222 -7.248 166 HD1 HIS 20 HD1 HIS 20 -5.053 4.147 -7.105 167 HD2 HIS 20 HD2 HIS 20 -0.941 3.554 -6.846 168 HE1 HIS 20 HE1 HIS 20 -4.697 1.823 -6.163 169 H GLY 21 H GLY 21 -0.613 5.321 -10.760 170 1HA GLY 21 1HA GLY 21 1.349 6.526 -11.270 171 2HA GLY 21 2HA GLY 21 0.284 7.937 -11.316 172 H VAL 22 H VAL 22 1.332 5.746 -8.710 173 HA VAL 22 HA VAL 22 2.077 8.173 -7.134 174 HB VAL 22 HB VAL 22 1.657 6.362 -5.220 175 1HG1 VAL 22 1HG1 VAL 22 -0.313 8.108 -6.691 176 2HG1 VAL 22 2HG1 VAL 22 -0.763 7.240 -5.221 177 3HG1 VAL 22 3HG1 VAL 22 0.530 8.441 -5.177 178 1HG2 VAL 22 1HG2 VAL 22 1.078 4.610 -6.894 179 2HG2 VAL 22 2HG2 VAL 22 -0.221 4.933 -5.748 180 3HG2 VAL 22 3HG2 VAL 22 -0.309 5.589 -7.384 181 H ASN 23 H ASN 23 3.617 7.535 -5.249 182 HA ASN 23 HA ASN 23 5.823 5.914 -6.449 183 1HB ASN 23 1HB ASN 23 5.717 8.452 -5.038 184 2HB ASN 23 2HB ASN 23 6.843 7.336 -4.269 185 2HD2 ASN 23 2HD2 ASN 23 6.034 7.551 -7.765 186 1HD2 ASN 23 1HD2 ASN 23 7.612 7.930 -8.259 187 H ILE 24 H ILE 24 5.359 3.863 -5.684 188 HA ILE 24 HA ILE 24 4.352 3.192 -3.148 189 HB ILE 24 HB ILE 24 6.320 1.594 -4.814 190 1HG1 ILE 24 1HG1 ILE 24 4.309 2.359 -6.022 191 2HG1 ILE 24 2HG1 ILE 24 4.300 0.619 -5.770 192 1HG2 ILE 24 1HG2 ILE 24 4.639 1.035 -2.420 193 2HG2 ILE 24 2HG2 ILE 24 4.677 -0.200 -3.691 194 3HG2 ILE 24 3HG2 ILE 24 6.178 0.312 -2.905 195 1HD1 ILE 24 1HD1 ILE 24 2.876 2.593 -3.942 196 2HD1 ILE 24 2HD1 ILE 24 2.088 1.702 -5.252 197 3HD1 ILE 24 3HD1 ILE 24 2.777 0.813 -3.894 198 H LYS 25 H LYS 25 7.505 4.413 -3.987 199 HA LYS 25 HA LYS 25 8.883 3.406 -1.654 200 1HB LYS 25 2HB LYS 25 10.074 4.387 -3.624 201 2HB LYS 25 1HB LYS 25 10.542 5.121 -2.093 202 1HG LYS 25 1HG LYS 25 8.553 6.262 -4.080 203 2HG LYS 25 2HG LYS 25 8.966 6.986 -2.525 204 1HD LYS 25 1HD LYS 25 11.435 6.501 -3.740 205 2HD LYS 25 2HD LYS 25 10.411 7.109 -5.043 206 1HE LYS 25 1HE LYS 25 9.717 8.812 -3.042 207 2HE LYS 25 2HE LYS 25 11.398 8.492 -2.616 208 1HZ LYS 25 1HZ LYS 25 11.709 8.879 -5.180 209 2HZ LYS 25 2HZ LYS 25 10.292 9.792 -4.992 210 3HZ LYS 25 3HZ LYS 25 11.678 10.180 -4.087 211 H ASP 26 H ASP 26 6.899 6.276 -2.381 212 HA ASP 26 HA ASP 26 7.247 7.551 0.166 213 1HB ASP 26 1HB ASP 26 4.654 7.579 -1.384 214 2HB ASP 26 2HB ASP 26 5.272 8.814 -0.299 215 H VAL 27 H VAL 27 5.091 5.108 -1.137 216 HA VAL 27 HA VAL 27 3.472 4.704 1.177 217 HB VAL 27 HB VAL 27 4.416 2.773 -0.954 218 1HG1 VAL 27 1HG1 VAL 27 3.746 1.769 1.345 219 2HG1 VAL 27 2HG1 VAL 27 2.117 2.308 0.935 220 3HG1 VAL 27 3HG1 VAL 27 2.945 1.140 -0.096 221 1HG2 VAL 27 1HG2 VAL 27 2.805 4.868 -1.211 222 2HG2 VAL 27 2HG2 VAL 27 2.479 3.357 -2.070 223 3HG2 VAL 27 3HG2 VAL 27 1.625 3.730 -0.566 224 H MET 28 H MET 28 6.568 3.183 0.213 225 HA MET 28 HA MET 28 6.833 1.692 2.677 226 1HB MET 28 1HB MET 28 8.957 2.610 0.712 227 2HB MET 28 2HB MET 28 9.180 1.389 1.968 228 1HG MET 28 1HG MET 28 7.734 -0.142 0.907 229 2HG MET 28 2HG MET 28 6.987 1.111 -0.083 230 1HE MET 28 1HE MET 28 10.006 -0.539 1.029 231 2HE MET 28 2HE MET 28 10.895 -1.059 -0.409 232 3HE MET 28 3HE MET 28 11.164 0.546 0.267 233 H ARG 29 H ARG 29 7.113 4.999 1.893 234 HA ARG 29 HA ARG 29 9.145 5.673 3.877 235 1HB ARG 29 1HB ARG 29 8.514 7.069 1.824 236 2HB ARG 29 2HB ARG 29 7.076 7.552 2.725 237 1HG ARG 29 1HG ARG 29 8.429 8.488 4.504 238 2HG ARG 29 2HG ARG 29 9.905 7.869 3.761 239 1HD ARG 29 1HD ARG 29 8.096 9.699 2.206 240 2HD ARG 29 2HD ARG 29 9.244 10.368 3.365 241 HE ARG 29 HE ARG 29 11.033 9.662 1.948 242 1HH1 ARG 29 1HH1 ARG 29 10.939 7.174 0.928 243 2HH1 ARG 29 2HH1 ARG 29 10.176 7.251 -0.625 244 1HH2 ARG 29 1HH2 ARG 29 8.751 10.361 -0.061 245 2HH2 ARG 29 2HH2 ARG 29 8.935 9.055 -1.183 246 H TRP 30 H TRP 30 5.560 5.814 3.754 247 HA TRP 30 HA TRP 30 5.472 6.764 6.539 248 1HB TRP 30 2HB TRP 30 3.092 6.741 6.327 249 2HB TRP 30 1HB TRP 30 3.156 5.628 4.958 250 HD1 TRP 30 HD1 TRP 30 4.522 9.154 5.820 251 HE1 TRP 30 HE1 TRP 30 4.414 10.583 3.675 252 HE3 TRP 30 HE3 TRP 30 2.686 5.695 2.578 253 HZ2 TRP 30 HZ2 TRP 30 3.642 10.283 0.932 254 HZ3 TRP 30 HZ3 TRP 30 2.267 6.274 0.217 255 HH2 TRP 30 HH2 TRP 30 2.746 8.563 -0.622 256 H ASN 31 H ASN 31 4.629 3.720 4.851 257 HA ASN 31 HA ASN 31 4.607 2.403 7.522 258 1HB ASN 31 1HB ASN 31 3.764 0.407 6.151 259 2HB ASN 31 2HB ASN 31 2.666 1.773 6.325 260 2HD2 ASN 31 2HD2 ASN 31 2.043 2.906 4.396 261 1HD2 ASN 31 1HD2 ASN 31 2.606 2.484 2.860 262 H SER 32 H SER 32 6.187 0.973 8.076 263 HA SER 32 HA SER 32 8.456 0.706 6.187 264 1HB SER 32 1HB SER 32 8.161 0.730 9.120 265 2HB SER 32 2HB SER 32 9.327 -0.436 8.503 266 HG SER 32 HG SER 32 9.361 2.332 8.475 267 H ASP 33 H ASP 33 7.480 -1.524 8.713 268 HA ASP 33 HA ASP 33 8.010 -3.821 7.047 269 1HB ASP 33 1HB ASP 33 8.212 -3.954 9.496 270 2HB ASP 33 2HB ASP 33 6.490 -3.611 9.667 271 H THR 34 H THR 34 6.698 -3.678 5.198 272 HA THR 34 HA THR 34 3.794 -3.338 5.526 273 HB THR 34 HB THR 34 4.121 -3.951 2.905 274 HG1 THR 34 HG1 THR 34 6.093 -3.515 2.248 275 1HG2 THR 34 1HG2 THR 34 4.288 -1.434 4.495 276 2HG2 THR 34 2HG2 THR 34 4.655 -1.344 2.773 277 3HG2 THR 34 3HG2 THR 34 3.082 -1.933 3.309 278 H ALA 35 H ALA 35 4.530 -5.581 6.899 279 HA ALA 35 HA ALA 35 4.442 -7.992 5.335 280 1HB ALA 35 3HB ALA 35 5.300 -8.032 7.619 281 2HB ALA 35 1HB ALA 35 3.743 -7.485 8.239 282 3HB ALA 35 2HB ALA 35 3.889 -9.085 7.512 283 H ASN 36 H ASN 36 2.089 -5.648 5.932 284 HA ASN 36 HA ASN 36 -0.186 -7.478 6.005 285 1HB ASN 36 1HB ASN 36 0.273 -4.630 6.367 286 2HB ASN 36 2HB ASN 36 -1.101 -4.927 5.300 287 2HD2 ASN 36 2HD2 ASN 36 0.157 -5.533 8.572 288 1HD2 ASN 36 1HD2 ASN 36 -1.333 -5.998 9.241 289 H LEU 37 H LEU 37 1.934 -6.674 3.573 290 HA LEU 37 HA LEU 37 -0.046 -6.202 1.467 291 1HB LEU 37 1HB LEU 37 2.926 -6.761 1.446 292 2HB LEU 37 2HB LEU 37 1.975 -6.707 -0.041 293 HG LEU 37 HG LEU 37 1.507 -4.441 0.171 294 1HD1 LEU 37 1HD1 LEU 37 2.127 -4.762 3.117 295 2HD1 LEU 37 2HD1 LEU 37 1.863 -3.201 2.348 296 3HD1 LEU 37 3HD1 LEU 37 0.566 -4.392 2.386 297 1HD2 LEU 37 1HD2 LEU 37 4.216 -4.936 1.423 298 2HD2 LEU 37 2HD2 LEU 37 3.856 -4.610 -0.271 299 3HD2 LEU 37 3HD2 LEU 37 3.662 -3.334 0.931 300 H GLN 38 H GLN 38 -1.287 -8.151 2.234 301 HA GLN 38 HA GLN 38 -0.200 -10.693 1.137 302 1HB GLN 38 1HB GLN 38 -2.341 -10.096 3.203 303 2HB GLN 38 2HB GLN 38 -2.097 -11.702 2.516 304 1HG GLN 38 1HG GLN 38 0.394 -11.358 3.215 305 2HG GLN 38 2HG GLN 38 -0.253 -10.105 4.277 306 2HE2 GLN 38 2HE2 GLN 38 -1.455 -10.772 6.139 307 1HE2 GLN 38 1HE2 GLN 38 -1.662 -12.400 6.568 308 HA PRO 39 HA PRO 39 -3.189 -10.523 -1.989 309 1HB PRO 39 1HB PRO 39 -4.114 -13.130 -2.099 310 2HB PRO 39 2HB PRO 39 -2.555 -12.601 -2.755 311 1HG PRO 39 2HG PRO 39 -1.691 -14.151 -1.263 312 2HG PRO 39 1HG PRO 39 -3.122 -14.087 -0.219 313 1HD PRO 39 1HD PRO 39 -1.830 -12.746 1.151 314 2HD PRO 39 2HD PRO 39 -0.649 -12.426 -0.139 315 H GLY 40 H GLY 40 -4.568 -9.147 -0.749 316 1HA GLY 40 1HA GLY 40 -7.133 -9.173 -0.636 317 2HA GLY 40 2HA GLY 40 -6.913 -10.490 0.516 318 H ASP 41 H ASP 41 -4.478 -7.989 0.678 319 HA ASP 41 HA ASP 41 -5.888 -6.940 3.117 320 1HB ASP 41 1HB ASP 41 -3.203 -7.931 2.696 321 2HB ASP 41 2HB ASP 41 -3.166 -6.260 3.259 322 H LYS 42 H LYS 42 -5.810 -4.643 3.469 323 HA LYS 42 HA LYS 42 -5.602 -3.108 0.981 324 1HB LYS 42 2HB LYS 42 -7.350 -2.850 2.913 325 2HB LYS 42 1HB LYS 42 -6.744 -1.410 2.097 326 1HG LYS 42 1HG LYS 42 -5.221 -2.404 4.467 327 2HG LYS 42 2HG LYS 42 -5.480 -0.751 3.912 328 1HD LYS 42 1HD LYS 42 -7.373 -0.516 5.134 329 2HD LYS 42 2HD LYS 42 -7.958 -2.120 4.693 330 1HE LYS 42 1HE LYS 42 -5.615 -2.197 6.455 331 2HE LYS 42 2HE LYS 42 -7.008 -1.402 7.189 332 1HZ LYS 42 1HZ LYS 42 -7.408 -3.928 5.749 333 2HZ LYS 42 2HZ LYS 42 -6.743 -3.975 7.312 334 3HZ LYS 42 3HZ LYS 42 -8.272 -3.284 7.063 335 H LEU 43 H LEU 43 -4.340 -1.087 0.887 336 HA LEU 43 HA LEU 43 -1.922 -1.066 2.625 337 1HB LEU 43 1HB LEU 43 -2.076 -1.902 -0.118 338 2HB LEU 43 2HB LEU 43 -1.117 -0.427 -0.018 339 HG LEU 43 HG LEU 43 -0.656 -3.071 1.369 340 1HD1 LEU 43 1HD1 LEU 43 0.691 -1.344 -0.650 341 2HD1 LEU 43 2HD1 LEU 43 1.716 -2.280 0.439 342 3HD1 LEU 43 3HD1 LEU 43 0.541 -3.099 -0.590 343 1HD2 LEU 43 1HD2 LEU 43 -0.027 -0.363 2.337 344 2HD2 LEU 43 2HD2 LEU 43 0.016 -1.904 3.200 345 3HD2 LEU 43 3HD2 LEU 43 1.387 -1.408 2.206 346 H THR 44 H THR 44 -1.231 1.004 3.095 347 HA THR 44 HA THR 44 -2.900 3.227 2.393 348 HB THR 44 HB THR 44 -0.409 2.829 3.978 349 HG1 THR 44 HG1 THR 44 -2.312 2.793 5.067 350 1HG2 THR 44 1HG2 THR 44 -1.316 5.507 2.877 351 2HG2 THR 44 2HG2 THR 44 -0.188 5.322 4.217 352 3HG2 THR 44 3HG2 THR 44 0.252 4.738 2.609 353 H LEU 45 H LEU 45 -2.775 4.437 0.575 354 HA LEU 45 HA LEU 45 -0.170 4.496 -0.888 355 1HB LEU 45 1HB LEU 45 -2.993 4.343 -1.891 356 2HB LEU 45 2HB LEU 45 -1.808 5.233 -2.848 357 HG LEU 45 HG LEU 45 -1.201 2.451 -1.883 358 1HD1 LEU 45 1HD1 LEU 45 -2.782 3.318 -4.310 359 2HD1 LEU 45 2HD1 LEU 45 -2.067 1.716 -4.132 360 3HD1 LEU 45 3HD1 LEU 45 -3.325 2.249 -3.016 361 1HD2 LEU 45 1HD2 LEU 45 -0.366 4.100 -4.289 362 2HD2 LEU 45 2HD2 LEU 45 0.626 3.826 -2.851 363 3HD2 LEU 45 3HD2 LEU 45 0.210 2.479 -3.916 364 H PHE 46 H PHE 46 -0.302 6.253 1.102 365 HA PHE 46 HA PHE 46 -1.686 8.693 0.738 366 1HB PHE 46 1HB PHE 46 0.837 7.867 2.082 367 2HB PHE 46 2HB PHE 46 0.674 9.584 1.726 368 HD1 PHE 46 HD1 PHE 46 -2.242 9.988 2.032 369 HD2 PHE 46 HD2 PHE 46 0.514 7.687 4.392 370 HE1 PHE 46 HE1 PHE 46 -3.716 10.249 4.010 371 HE2 PHE 46 HE2 PHE 46 -0.961 7.944 6.368 372 HZ PHE 46 HZ PHE 46 -3.075 9.226 6.177 373 H VAL 47 H VAL 47 0.878 7.250 -0.990 374 HA VAL 47 HA VAL 47 2.374 9.144 -2.203 375 HB VAL 47 HB VAL 47 2.026 7.660 -4.320 376 1HG1 VAL 47 1HG1 VAL 47 3.038 6.760 -1.637 377 2HG1 VAL 47 2HG1 VAL 47 3.155 5.697 -3.046 378 3HG1 VAL 47 3HG1 VAL 47 3.962 7.273 -3.049 379 1HG2 VAL 47 1HG2 VAL 47 -0.203 6.778 -3.595 380 2HG2 VAL 47 2HG2 VAL 47 0.977 5.488 -3.856 381 3HG2 VAL 47 3HG2 VAL 47 0.585 6.010 -2.220 382 H LYS 48 H LYS 48 2.115 10.743 -3.738 383 HA LYS 48 HA LYS 48 -0.529 11.834 -4.135 384 1HB LYS 48 1HB LYS 48 2.088 12.769 -4.375 385 2HB LYS 48 2HB LYS 48 1.478 12.783 -6.029 386 1HG LYS 48 1HG LYS 48 -0.589 13.760 -4.309 387 2HG LYS 48 2HG LYS 48 0.900 14.627 -3.931 388 1HD LYS 48 1HD LYS 48 0.808 15.780 -5.863 389 2HD LYS 48 2HD LYS 48 0.584 14.303 -6.800 390 1HE LYS 48 1HE LYS 48 -1.643 14.637 -6.976 391 2HE LYS 48 2HE LYS 48 -1.796 15.001 -5.257 392 1HZ LYS 48 1HZ LYS 48 -0.695 16.923 -7.226 393 2HZ LYS 48 2HZ LYS 48 -2.341 16.871 -6.800 394 3HZ LYS 48 3HZ LYS 48 -1.166 17.232 -5.626 No H/Q in entry = 394 Start of MODEL 18 1 H1 ASP 1 1H ASP 1 -6.360 13.154 2.075 2 H2 ASP 1 2H ASP 1 -6.794 13.246 0.434 3 H3 ASP 1 3H ASP 1 -7.870 13.785 1.632 4 HA ASP 1 HA ASP 1 -8.267 11.606 2.415 5 1HB ASP 1 1HB ASP 1 -9.371 10.680 0.541 6 2HB ASP 1 2HB ASP 1 -9.299 12.404 0.175 7 H SER 2 H SER 2 -7.765 9.284 2.255 8 HA SER 2 HA SER 2 -4.908 8.834 1.495 9 1HB SER 2 1HB SER 2 -4.815 7.153 3.226 10 2HB SER 2 2HB SER 2 -5.507 8.609 3.937 11 HG SER 2 HG SER 2 -7.478 7.689 3.921 12 H ILE 3 H ILE 3 -4.456 7.115 0.124 13 HA ILE 3 HA ILE 3 -6.762 5.858 -1.167 14 HB ILE 3 HB ILE 3 -3.813 5.830 -1.830 15 1HG1 ILE 3 1HG1 ILE 3 -6.202 7.179 -3.125 16 2HG1 ILE 3 2HG1 ILE 3 -4.890 7.984 -2.261 17 1HG2 ILE 3 1HG2 ILE 3 -5.126 3.739 -2.477 18 2HG2 ILE 3 2HG2 ILE 3 -6.087 4.780 -3.528 19 3HG2 ILE 3 3HG2 ILE 3 -4.354 4.602 -3.811 20 1HD1 ILE 3 1HD1 ILE 3 -4.195 6.175 -4.551 21 2HD1 ILE 3 2HD1 ILE 3 -4.831 7.783 -4.905 22 3HD1 ILE 3 3HD1 ILE 3 -3.353 7.609 -3.960 23 H THR 4 H THR 4 -7.348 3.770 -0.753 24 HA THR 4 HA THR 4 -5.382 2.053 0.717 25 HB THR 4 HB THR 4 -8.406 2.144 0.948 26 HG1 THR 4 HG1 THR 4 -7.560 3.681 2.230 27 1HG2 THR 4 1HG2 THR 4 -6.570 -0.027 1.360 28 2HG2 THR 4 2HG2 THR 4 -7.212 0.481 2.922 29 3HG2 THR 4 3HG2 THR 4 -8.313 0.004 1.631 30 H TYR 5 H TYR 5 -4.668 0.515 -0.707 31 HA TYR 5 HA TYR 5 -6.675 -0.510 -2.667 32 1HB TYR 5 1HB TYR 5 -5.124 -0.475 -4.338 33 2HB TYR 5 2HB TYR 5 -4.477 0.824 -3.349 34 HD1 TYR 5 HD1 TYR 5 -4.131 -2.879 -3.963 35 HD2 TYR 5 HD2 TYR 5 -2.309 0.729 -2.507 36 HE1 TYR 5 HE1 TYR 5 -1.952 -4.008 -3.888 37 HE2 TYR 5 HE2 TYR 5 -0.124 -0.427 -2.406 38 HH TYR 5 HH TYR 5 0.209 -3.791 -3.525 39 H ARG 6 H ARG 6 -6.956 -2.678 -2.856 40 HA ARG 6 HA ARG 6 -5.659 -4.320 -0.783 41 1HB ARG 6 1HB ARG 6 -8.206 -4.351 -2.129 42 2HB ARG 6 2HB ARG 6 -7.401 -5.904 -2.367 43 1HG ARG 6 1HG ARG 6 -7.248 -6.322 -0.054 44 2HG ARG 6 2HG ARG 6 -7.497 -4.625 0.359 45 1HD ARG 6 1HD ARG 6 -9.823 -4.927 -0.768 46 2HD ARG 6 2HD ARG 6 -9.522 -6.654 -0.567 47 HE ARG 6 HE ARG 6 -9.030 -5.334 1.921 48 1HH1 ARG 6 1HH1 ARG 6 -11.703 -4.473 0.306 49 2HH1 ARG 6 2HH1 ARG 6 -12.851 -5.332 1.277 50 1HH2 ARG 6 1HH2 ARG 6 -10.447 -7.189 2.948 51 2HH2 ARG 6 2HH2 ARG 6 -12.139 -6.870 2.774 52 H VAL 7 H VAL 7 -3.937 -5.455 -1.221 53 HA VAL 7 HA VAL 7 -2.905 -5.699 -3.927 54 HB VAL 7 HB VAL 7 -1.920 -7.116 -1.447 55 1HG1 VAL 7 1HG1 VAL 7 -0.952 -6.690 -4.147 56 2HG1 VAL 7 2HG1 VAL 7 0.170 -5.994 -2.966 57 3HG1 VAL 7 3HG1 VAL 7 -0.282 -7.704 -2.867 58 1HG2 VAL 7 1HG2 VAL 7 -2.305 -4.297 -1.849 59 2HG2 VAL 7 2HG2 VAL 7 -1.550 -5.121 -0.473 60 3HG2 VAL 7 3HG2 VAL 7 -0.556 -4.647 -1.859 61 H ARG 8 H ARG 8 -3.861 -7.178 -5.260 62 HA ARG 8 HA ARG 8 -4.860 -9.723 -4.083 63 1HB ARG 8 1HB ARG 8 -5.686 -8.012 -6.269 64 2HB ARG 8 2HB ARG 8 -5.420 -9.658 -6.844 65 1HG ARG 8 1HG ARG 8 -6.897 -10.547 -5.122 66 2HG ARG 8 2HG ARG 8 -7.096 -8.939 -4.424 67 1HD ARG 8 1HD ARG 8 -7.801 -8.420 -6.986 68 2HD ARG 8 2HD ARG 8 -8.313 -10.102 -6.868 69 HE ARG 8 HE ARG 8 -9.221 -8.611 -4.576 70 1HH1 ARG 8 1HH1 ARG 8 -9.656 -8.440 -7.972 71 2HH1 ARG 8 2HH1 ARG 8 -11.384 -8.372 -7.887 72 1HH2 ARG 8 1HH2 ARG 8 -11.512 -8.823 -4.454 73 2HH2 ARG 8 2HH2 ARG 8 -12.433 -8.587 -5.902 74 H LYS 9 H LYS 9 -4.329 -11.760 -5.259 75 HA LYS 9 HA LYS 9 -1.550 -12.111 -5.626 76 1HB LYS 9 1HB LYS 9 -2.278 -14.176 -7.009 77 2HB LYS 9 2HB LYS 9 -2.760 -14.109 -5.314 78 1HG LYS 9 1HG LYS 9 -4.983 -13.700 -5.816 79 2HG LYS 9 2HG LYS 9 -4.600 -12.910 -7.346 80 1HD LYS 9 1HD LYS 9 -5.672 -15.189 -7.581 81 2HD LYS 9 2HD LYS 9 -4.123 -15.019 -8.405 82 1HE LYS 9 1HE LYS 9 -3.288 -16.728 -7.206 83 2HE LYS 9 2HE LYS 9 -3.608 -15.844 -5.715 84 1HZ LYS 9 1HZ LYS 9 -6.058 -16.746 -6.522 85 2HZ LYS 9 2HZ LYS 9 -5.017 -18.048 -6.851 86 3HZ LYS 9 3HZ LYS 9 -5.107 -17.403 -5.282 87 H GLY 10 H GLY 10 -0.207 -11.884 -7.377 88 1HA GLY 10 1HA GLY 10 0.362 -11.563 -9.684 89 2HA GLY 10 2HA GLY 10 -1.351 -11.348 -10.049 90 H ASP 11 H ASP 11 -1.243 -9.452 -7.498 91 HA ASP 11 HA ASP 11 -0.780 -7.023 -9.087 92 1HB ASP 11 1HB ASP 11 -1.755 -7.465 -6.254 93 2HB ASP 11 2HB ASP 11 -1.562 -5.876 -6.984 94 H SER 12 H SER 12 0.984 -5.694 -8.853 95 HA SER 12 HA SER 12 3.019 -6.551 -6.839 96 1HB SER 12 1HB SER 12 3.389 -6.428 -9.506 97 2HB SER 12 2HB SER 12 3.779 -4.762 -9.094 98 HG SER 12 HG SER 12 5.240 -5.625 -7.517 99 H LEU 13 H LEU 13 3.936 -4.966 -5.520 100 HA LEU 13 HA LEU 13 2.398 -2.753 -4.659 101 1HB LEU 13 1HB LEU 13 5.313 -3.472 -4.471 102 2HB LEU 13 2HB LEU 13 4.740 -1.927 -3.848 103 HG LEU 13 HG LEU 13 4.781 -3.753 -2.117 104 1HD1 LEU 13 1HD1 LEU 13 2.611 -1.977 -2.799 105 2HD1 LEU 13 2HD1 LEU 13 1.995 -3.425 -1.998 106 3HD1 LEU 13 3HD1 LEU 13 3.222 -2.426 -1.207 107 1HD2 LEU 13 1HD2 LEU 13 4.017 -5.538 -3.814 108 2HD2 LEU 13 2HD2 LEU 13 3.271 -5.586 -2.219 109 3HD2 LEU 13 3HD2 LEU 13 2.387 -4.891 -3.575 110 H SER 14 H SER 14 5.317 -2.590 -6.735 111 HA SER 14 HA SER 14 4.970 0.162 -7.361 112 1HB SER 14 1HB SER 14 6.653 -0.154 -9.012 113 2HB SER 14 2HB SER 14 7.037 -1.312 -7.743 114 HG SER 14 HG SER 14 6.185 -2.931 -8.976 115 H SER 15 H SER 15 3.859 -2.784 -9.048 116 HA SER 15 HA SER 15 2.753 -1.547 -11.342 117 1HB SER 15 1HB SER 15 1.927 -4.044 -9.858 118 2HB SER 15 2HB SER 15 1.229 -3.564 -11.402 119 HG SER 15 HG SER 15 3.658 -3.388 -11.942 120 H ILE 16 H ILE 16 1.313 -2.218 -8.212 121 HA ILE 16 HA ILE 16 -1.302 -1.228 -8.784 122 HB ILE 16 HB ILE 16 0.299 -1.576 -6.258 123 1HG1 ILE 16 2HG1 ILE 16 -1.602 -3.088 -7.787 124 2HG1 ILE 16 1HG1 ILE 16 -2.323 -2.710 -6.220 125 1HG2 ILE 16 1HG2 ILE 16 -2.362 -0.175 -6.590 126 2HG2 ILE 16 2HG2 ILE 16 -1.820 -0.856 -5.060 127 3HG2 ILE 16 3HG2 ILE 16 -0.909 0.450 -5.809 128 1HD1 ILE 16 1HD1 ILE 16 0.285 -3.411 -5.576 129 2HD1 ILE 16 2HD1 ILE 16 -1.128 -4.451 -5.414 130 3HD1 ILE 16 3HD1 ILE 16 -0.133 -4.536 -6.865 131 H ALA 17 H ALA 17 1.612 0.370 -7.456 132 HA ALA 17 HA ALA 17 0.594 2.965 -7.046 133 1HB ALA 17 2HB ALA 17 3.039 3.368 -8.351 134 2HB ALA 17 1HB ALA 17 3.199 1.789 -7.584 135 3HB ALA 17 3HB ALA 17 2.790 3.205 -6.613 136 H LYS 18 H LYS 18 1.871 1.505 -10.062 137 HA LYS 18 HA LYS 18 1.594 3.677 -11.810 138 1HB LYS 18 1HB LYS 18 1.808 0.794 -12.052 139 2HB LYS 18 2HB LYS 18 0.744 1.453 -13.295 140 1HG LYS 18 1HG LYS 18 2.442 2.536 -14.349 141 2HG LYS 18 2HG LYS 18 3.194 3.028 -12.830 142 1HD LYS 18 1HD LYS 18 4.777 1.495 -13.427 143 2HD LYS 18 2HD LYS 18 3.629 0.350 -12.732 144 1HE LYS 18 1HE LYS 18 2.586 0.145 -15.027 145 2HE LYS 18 2HE LYS 18 3.931 1.096 -15.652 146 1HZ LYS 18 1HZ LYS 18 4.298 -1.388 -14.080 147 2HZ LYS 18 2HZ LYS 18 4.214 -1.370 -15.773 148 3HZ LYS 18 3HZ LYS 18 5.467 -0.545 -14.978 149 H ARG 19 H ARG 19 -0.934 1.444 -10.680 150 HA ARG 19 HA ARG 19 -3.025 2.250 -12.415 151 1HB ARG 19 1HB ARG 19 -3.263 0.346 -10.894 152 2HB ARG 19 2HB ARG 19 -3.165 1.420 -9.499 153 1HG ARG 19 1HG ARG 19 -5.279 2.294 -9.843 154 2HG ARG 19 2HG ARG 19 -5.239 1.984 -11.579 155 1HD ARG 19 1HD ARG 19 -5.742 -0.299 -11.310 156 2HD ARG 19 2HD ARG 19 -5.256 -0.299 -9.614 157 HE ARG 19 HE ARG 19 -7.817 0.774 -10.673 158 1HH1 ARG 19 1HH1 ARG 19 -5.637 0.845 -8.033 159 2HH1 ARG 19 2HH1 ARG 19 -6.868 0.679 -6.828 160 1HH2 ARG 19 1HH2 ARG 19 -9.433 0.232 -9.113 161 2HH2 ARG 19 2HH2 ARG 19 -9.012 0.336 -7.437 162 H HIS 20 H HIS 20 -1.679 3.822 -9.559 163 HA HIS 20 HA HIS 20 -3.645 6.044 -9.941 164 1HB HIS 20 2HB HIS 20 -3.847 6.200 -7.698 165 2HB HIS 20 1HB HIS 20 -2.108 6.183 -7.475 166 HD1 HIS 20 HD1 HIS 20 -5.117 4.009 -7.334 167 HD2 HIS 20 HD2 HIS 20 -0.987 3.534 -7.126 168 HE1 HIS 20 HE1 HIS 20 -4.684 1.693 -6.401 169 H GLY 21 H GLY 21 -0.710 5.352 -11.034 170 1HA GLY 21 1HA GLY 21 1.231 6.596 -11.520 171 2HA GLY 21 2HA GLY 21 0.150 7.994 -11.508 172 H VAL 22 H VAL 22 1.267 5.743 -8.976 173 HA VAL 22 HA VAL 22 2.038 8.140 -7.364 174 HB VAL 22 HB VAL 22 1.619 6.328 -5.467 175 1HG1 VAL 22 1HG1 VAL 22 -0.369 8.060 -6.929 176 2HG1 VAL 22 2HG1 VAL 22 -0.809 7.188 -5.458 177 3HG1 VAL 22 3HG1 VAL 22 0.475 8.397 -5.419 178 1HG2 VAL 22 1HG2 VAL 22 1.004 4.694 -7.388 179 2HG2 VAL 22 2HG2 VAL 22 -0.010 4.732 -5.950 180 3HG2 VAL 22 3HG2 VAL 22 -0.530 5.566 -7.416 181 H ASN 23 H ASN 23 3.603 7.464 -5.514 182 HA ASN 23 HA ASN 23 5.755 5.804 -6.758 183 1HB ASN 23 2HB ASN 23 7.342 7.129 -5.602 184 2HB ASN 23 1HB ASN 23 6.125 7.763 -4.495 185 2HD2 ASN 23 2HD2 ASN 23 6.533 7.588 -8.089 186 1HD2 ASN 23 1HD2 ASN 23 6.089 9.204 -8.359 187 H ILE 24 H ILE 24 5.276 3.765 -5.974 188 HA ILE 24 HA ILE 24 4.310 3.112 -3.417 189 HB ILE 24 HB ILE 24 6.250 1.492 -5.093 190 1HG1 ILE 24 1HG1 ILE 24 4.245 2.261 -6.300 191 2HG1 ILE 24 2HG1 ILE 24 4.219 0.525 -6.034 192 1HG2 ILE 24 1HG2 ILE 24 4.572 0.960 -2.690 193 2HG2 ILE 24 2HG2 ILE 24 4.606 -0.284 -3.952 194 3HG2 ILE 24 3HG2 ILE 24 6.108 0.228 -3.172 195 1HD1 ILE 24 1HD1 ILE 24 2.829 2.514 -4.197 196 2HD1 ILE 24 2HD1 ILE 24 2.022 1.668 -5.524 197 3HD1 ILE 24 3HD1 ILE 24 2.686 0.736 -4.182 198 H LYS 25 H LYS 25 7.469 4.260 -4.342 199 HA LYS 25 HA LYS 25 8.912 3.283 -2.053 200 1HB LYS 25 1HB LYS 25 10.470 5.149 -2.500 201 2HB LYS 25 2HB LYS 25 10.095 4.258 -3.972 202 1HG LYS 25 1HG LYS 25 8.178 6.057 -4.212 203 2HG LYS 25 2HG LYS 25 9.208 7.001 -3.138 204 1HD LYS 25 1HD LYS 25 10.674 5.712 -5.333 205 2HD LYS 25 2HD LYS 25 9.475 6.887 -5.877 206 1HE LYS 25 2HE LYS 25 10.525 8.338 -3.907 207 2HE LYS 25 1HE LYS 25 11.260 8.308 -5.510 208 1HZ LYS 25 1HZ LYS 25 12.097 6.181 -3.737 209 2HZ LYS 25 2HZ LYS 25 13.018 7.158 -4.779 210 3HZ LYS 25 3HZ LYS 25 12.564 7.737 -3.247 211 H ASP 26 H ASP 26 6.936 6.184 -2.696 212 HA ASP 26 HA ASP 26 7.320 7.400 -0.128 213 1HB ASP 26 1HB ASP 26 4.823 7.496 -1.841 214 2HB ASP 26 2HB ASP 26 5.249 8.619 -0.559 215 H VAL 27 H VAL 27 5.125 4.995 -1.442 216 HA VAL 27 HA VAL 27 3.507 4.620 0.879 217 HB VAL 27 HB VAL 27 4.408 2.678 -1.261 218 1HG1 VAL 27 1HG1 VAL 27 3.790 1.605 0.978 219 2HG1 VAL 27 2HG1 VAL 27 2.174 2.262 0.729 220 3HG1 VAL 27 3HG1 VAL 27 2.836 1.093 -0.414 221 1HG2 VAL 27 1HG2 VAL 27 2.826 4.790 -1.501 222 2HG2 VAL 27 2HG2 VAL 27 2.461 3.285 -2.350 223 3HG2 VAL 27 3HG2 VAL 27 1.635 3.674 -0.834 224 H MET 28 H MET 28 6.585 3.056 -0.091 225 HA MET 28 HA MET 28 6.833 1.576 2.390 226 1HB MET 28 1HB MET 28 9.116 2.453 0.605 227 2HB MET 28 2HB MET 28 9.038 1.030 1.644 228 1HG MET 28 1HG MET 28 6.814 0.800 -0.054 229 2HG MET 28 2HG MET 28 8.128 1.349 -1.097 230 1HE MET 28 1HE MET 28 10.334 0.461 -1.212 231 2HE MET 28 2HE MET 28 10.760 0.046 0.447 232 3HE MET 28 3HE MET 28 10.863 -1.175 -0.828 233 H ARG 29 H ARG 29 7.174 4.861 1.547 234 HA ARG 29 HA ARG 29 9.217 5.555 3.506 235 1HB ARG 29 1HB ARG 29 8.516 6.896 1.411 236 2HB ARG 29 2HB ARG 29 7.150 7.446 2.380 237 1HG ARG 29 1HG ARG 29 8.734 8.258 4.113 238 2HG ARG 29 2HG ARG 29 10.080 7.776 3.079 239 1HD ARG 29 1HD ARG 29 9.737 9.497 1.596 240 2HD ARG 29 2HD ARG 29 7.990 9.498 1.842 241 HE ARG 29 HE ARG 29 9.650 10.479 4.086 242 1HH1 ARG 29 1HH1 ARG 29 6.891 11.218 4.226 243 2HH1 ARG 29 2HH1 ARG 29 6.809 12.768 3.457 244 1HH2 ARG 29 1HH2 ARG 29 9.868 12.430 1.858 245 2HH2 ARG 29 2HH2 ARG 29 8.496 13.455 2.116 246 H TRP 30 H TRP 30 5.635 5.669 3.418 247 HA TRP 30 HA TRP 30 5.561 6.687 6.180 248 1HB TRP 30 2HB TRP 30 3.168 6.614 5.986 249 2HB TRP 30 1HB TRP 30 3.254 5.534 4.593 250 HD1 TRP 30 HD1 TRP 30 4.575 9.058 5.534 251 HE1 TRP 30 HE1 TRP 30 4.441 10.534 3.423 252 HE3 TRP 30 HE3 TRP 30 2.776 5.649 2.223 253 HZ2 TRP 30 HZ2 TRP 30 3.663 10.284 0.675 254 HZ3 TRP 30 HZ3 TRP 30 2.343 6.275 -0.125 255 HH2 TRP 30 HH2 TRP 30 2.785 8.587 -0.914 256 H ASN 31 H ASN 31 4.657 3.609 4.564 257 HA ASN 31 HA ASN 31 4.567 2.369 7.258 258 1HB ASN 31 1HB ASN 31 3.884 0.301 5.871 259 2HB ASN 31 2HB ASN 31 2.722 1.613 6.038 260 2HD2 ASN 31 2HD2 ASN 31 2.125 2.791 4.113 261 1HD2 ASN 31 1HD2 ASN 31 2.713 2.384 2.581 262 H SER 32 H SER 32 6.131 1.078 7.996 263 HA SER 32 HA SER 32 8.486 0.632 6.241 264 1HB SER 32 1HB SER 32 8.205 1.408 8.954 265 2HB SER 32 2HB SER 32 8.924 -0.200 8.955 266 HG SER 32 HG SER 32 10.688 0.623 8.164 267 H ASP 33 H ASP 33 6.164 -1.021 8.254 268 HA ASP 33 HA ASP 33 7.322 -3.645 7.503 269 1HB ASP 33 1HB ASP 33 6.515 -3.045 9.890 270 2HB ASP 33 2HB ASP 33 4.886 -3.219 9.235 271 H THR 34 H THR 34 6.706 -3.503 5.250 272 HA THR 34 HA THR 34 3.842 -3.287 4.621 273 HB THR 34 HB THR 34 4.691 -3.667 2.259 274 HG1 THR 34 HG1 THR 34 6.610 -4.763 2.949 275 1HG2 THR 34 1HG2 THR 34 5.327 -1.424 4.080 276 2HG2 THR 34 2HG2 THR 34 6.218 -1.437 2.557 277 3HG2 THR 34 3HG2 THR 34 4.454 -1.420 2.547 278 H ALA 35 H ALA 35 5.070 -5.627 6.193 279 HA ALA 35 HA ALA 35 4.914 -7.952 4.518 280 1HB ALA 35 1HB ALA 35 5.996 -7.833 6.803 281 2HB ALA 35 2HB ALA 35 4.374 -7.813 7.493 282 3HB ALA 35 3HB ALA 35 4.922 -9.213 6.572 283 H ASN 36 H ASN 36 2.505 -5.793 5.445 284 HA ASN 36 HA ASN 36 0.377 -7.782 5.736 285 1HB ASN 36 1HB ASN 36 -0.022 -4.836 5.219 286 2HB ASN 36 2HB ASN 36 -1.073 -5.947 6.096 287 2HD2 ASN 36 2HD2 ASN 36 0.415 -3.360 6.940 288 1HD2 ASN 36 1HD2 ASN 36 1.218 -3.809 8.366 289 H LEU 37 H LEU 37 2.167 -6.835 3.124 290 HA LEU 37 HA LEU 37 0.005 -6.357 1.224 291 1HB LEU 37 1HB LEU 37 2.959 -6.943 0.928 292 2HB LEU 37 2HB LEU 37 1.882 -6.842 -0.468 293 HG LEU 37 HG LEU 37 1.572 -4.580 -0.249 294 1HD1 LEU 37 1HD1 LEU 37 2.089 -4.914 2.716 295 2HD1 LEU 37 2HD1 LEU 37 1.792 -3.366 1.933 296 3HD1 LEU 37 3HD1 LEU 37 0.536 -4.602 1.943 297 1HD2 LEU 37 1HD2 LEU 37 4.206 -5.096 1.150 298 2HD2 LEU 37 2HD2 LEU 37 3.950 -4.806 -0.570 299 3HD2 LEU 37 3HD2 LEU 37 3.692 -3.503 0.591 300 H GLN 38 H GLN 38 -1.254 -8.259 1.913 301 HA GLN 38 HA GLN 38 -0.250 -10.829 0.799 302 1HB GLN 38 2HB GLN 38 -1.437 -11.937 2.439 303 2HB GLN 38 1HB GLN 38 -2.719 -10.727 2.470 304 1HG GLN 38 1HG GLN 38 0.005 -9.925 3.419 305 2HG GLN 38 2HG GLN 38 -1.577 -9.368 3.960 306 2HE2 GLN 38 2HE2 GLN 38 0.284 -10.144 5.910 307 1HE2 GLN 38 1HE2 GLN 38 -0.202 -11.612 6.610 308 HA PRO 39 HA PRO 39 -3.263 -10.576 -2.292 309 1HB PRO 39 1HB PRO 39 -4.290 -13.144 -2.382 310 2HB PRO 39 2HB PRO 39 -2.715 -12.680 -3.051 311 1HG PRO 39 2HG PRO 39 -1.903 -14.254 -1.553 312 2HG PRO 39 1HG PRO 39 -3.325 -14.130 -0.504 313 1HD PRO 39 1HD PRO 39 -1.980 -12.830 0.855 314 2HD PRO 39 2HD PRO 39 -0.789 -12.567 -0.439 315 H GLY 40 H GLY 40 -4.601 -9.139 -1.087 316 1HA GLY 40 1HA GLY 40 -7.141 -9.018 -0.949 317 2HA GLY 40 2HA GLY 40 -7.014 -10.389 0.152 318 H ASP 41 H ASP 41 -4.433 -8.062 0.428 319 HA ASP 41 HA ASP 41 -5.733 -7.097 2.953 320 1HB ASP 41 1HB ASP 41 -3.112 -8.094 2.361 321 2HB ASP 41 2HB ASP 41 -2.974 -6.415 2.881 322 H LYS 42 H LYS 42 -5.618 -4.824 3.440 323 HA LYS 42 HA LYS 42 -5.660 -3.135 1.051 324 1HB LYS 42 1HB LYS 42 -6.207 -2.669 3.982 325 2HB LYS 42 2HB LYS 42 -6.156 -1.337 2.826 326 1HG LYS 42 1HG LYS 42 -8.066 -2.028 1.730 327 2HG LYS 42 2HG LYS 42 -7.800 -3.727 2.120 328 1HD LYS 42 1HD LYS 42 -8.505 -3.392 4.402 329 2HD LYS 42 2HD LYS 42 -8.557 -1.642 4.180 330 1HE LYS 42 1HE LYS 42 -10.582 -1.708 3.144 331 2HE LYS 42 2HE LYS 42 -10.180 -3.171 2.247 332 1HZ LYS 42 1HZ LYS 42 -10.461 -4.413 4.357 333 2HZ LYS 42 2HZ LYS 42 -11.040 -2.989 5.080 334 3HZ LYS 42 3HZ LYS 42 -11.892 -3.693 3.793 335 H LEU 43 H LEU 43 -4.338 -1.237 0.795 336 HA LEU 43 HA LEU 43 -1.836 -1.182 2.407 337 1HB LEU 43 1HB LEU 43 -2.133 -2.070 -0.307 338 2HB LEU 43 2HB LEU 43 -1.164 -0.597 -0.283 339 HG LEU 43 HG LEU 43 -0.645 -3.226 1.107 340 1HD1 LEU 43 1HD1 LEU 43 0.634 -1.498 -0.951 341 2HD1 LEU 43 2HD1 LEU 43 1.692 -2.437 0.100 342 3HD1 LEU 43 3HD1 LEU 43 0.483 -3.253 -0.890 343 1HD2 LEU 43 1HD2 LEU 43 0.019 -0.516 2.051 344 2HD2 LEU 43 2HD2 LEU 43 0.084 -2.054 2.916 345 3HD2 LEU 43 3HD2 LEU 43 1.425 -1.569 1.878 346 H THR 44 H THR 44 -1.123 0.885 2.810 347 HA THR 44 HA THR 44 -2.816 3.105 2.154 348 HB THR 44 HB THR 44 -0.286 2.697 3.663 349 HG1 THR 44 HG1 THR 44 -2.511 4.362 4.179 350 1HG2 THR 44 1HG2 THR 44 -1.152 5.381 2.542 351 2HG2 THR 44 2HG2 THR 44 0.028 5.178 3.835 352 3HG2 THR 44 3HG2 THR 44 0.377 4.559 2.218 353 H LEU 45 H LEU 45 -2.702 4.426 0.410 354 HA LEU 45 HA LEU 45 -0.170 4.429 -1.178 355 1HB LEU 45 1HB LEU 45 -3.017 4.219 -2.087 356 2HB LEU 45 2HB LEU 45 -1.898 5.155 -3.079 357 HG LEU 45 HG LEU 45 -1.203 2.370 -2.169 358 1HD1 LEU 45 1HD1 LEU 45 -2.774 3.261 -4.597 359 2HD1 LEU 45 2HD1 LEU 45 -2.068 1.654 -4.410 360 3HD1 LEU 45 3HD1 LEU 45 -3.339 2.193 -3.312 361 1HD2 LEU 45 1HD2 LEU 45 -0.348 4.231 -4.399 362 2HD2 LEU 45 2HD2 LEU 45 0.658 3.609 -3.085 363 3HD2 LEU 45 3HD2 LEU 45 0.088 2.527 -4.362 364 H PHE 46 H PHE 46 -0.312 6.186 0.839 365 HA PHE 46 HA PHE 46 -1.703 8.618 0.462 366 1HB PHE 46 1HB PHE 46 0.869 7.854 1.785 367 2HB PHE 46 2HB PHE 46 0.565 9.567 1.515 368 HD1 PHE 46 HD1 PHE 46 -2.381 9.699 1.840 369 HD2 PHE 46 HD2 PHE 46 0.579 7.554 4.096 370 HE1 PHE 46 HE1 PHE 46 -3.863 9.742 3.826 371 HE2 PHE 46 HE2 PHE 46 -0.904 7.598 6.082 372 HZ PHE 46 HZ PHE 46 -3.125 8.691 5.947 373 H VAL 47 H VAL 47 0.882 7.187 -1.241 374 HA VAL 47 HA VAL 47 2.376 9.088 -2.451 375 HB VAL 47 HB VAL 47 2.018 7.608 -4.574 376 1HG1 VAL 47 1HG1 VAL 47 3.082 6.737 -1.907 377 2HG1 VAL 47 2HG1 VAL 47 3.144 5.633 -3.288 378 3HG1 VAL 47 3HG1 VAL 47 3.969 7.200 -3.358 379 1HG2 VAL 47 1HG2 VAL 47 -0.200 6.719 -3.833 380 2HG2 VAL 47 2HG2 VAL 47 0.983 5.433 -4.104 381 3HG2 VAL 47 3HG2 VAL 47 0.601 5.950 -2.466 382 H LYS 48 H LYS 48 2.092 10.722 -3.942 383 HA LYS 48 HA LYS 48 -0.722 11.373 -4.652 384 1HB LYS 48 1HB LYS 48 1.233 12.964 -3.624 385 2HB LYS 48 2HB LYS 48 1.454 13.262 -5.348 386 1HG LYS 48 2HG LYS 48 -1.156 13.523 -5.364 387 2HG LYS 48 1HG LYS 48 -0.157 14.861 -4.793 388 1HD LYS 48 1HD LYS 48 -1.062 12.779 -2.829 389 2HD LYS 48 2HD LYS 48 -0.702 14.485 -2.561 390 1HE LYS 48 1HE LYS 48 -2.741 15.131 -3.759 391 2HE LYS 48 2HE LYS 48 -3.093 13.438 -4.105 392 1HZ LYS 48 1HZ LYS 48 -2.781 13.366 -1.460 393 2HZ LYS 48 2HZ LYS 48 -3.411 14.932 -1.640 394 3HZ LYS 48 3HZ LYS 48 -4.281 13.595 -2.224 No H/Q in entry = 394 Start of MODEL 19 1 H1 ASP 1 1H ASP 1 -7.143 12.870 0.535 2 H2 ASP 1 2H ASP 1 -8.709 12.894 -0.125 3 H3 ASP 1 3H ASP 1 -8.436 13.477 1.447 4 HA ASP 1 HA ASP 1 -8.555 11.464 2.364 5 1HB ASP 1 1HB ASP 1 -9.718 11.136 -0.386 6 2HB ASP 1 2HB ASP 1 -9.612 9.733 0.679 7 H SER 2 H SER 2 -8.035 8.959 1.938 8 HA SER 2 HA SER 2 -5.285 8.897 0.764 9 1HB SER 2 1HB SER 2 -4.661 7.360 2.420 10 2HB SER 2 2HB SER 2 -5.741 8.439 3.299 11 HG SER 2 HG SER 2 -6.063 5.798 2.534 12 H ILE 3 H ILE 3 -4.712 7.035 -0.489 13 HA ILE 3 HA ILE 3 -7.008 5.769 -1.792 14 HB ILE 3 HB ILE 3 -4.051 5.691 -2.430 15 1HG1 ILE 3 1HG1 ILE 3 -6.388 7.133 -3.719 16 2HG1 ILE 3 2HG1 ILE 3 -5.046 7.881 -2.853 17 1HG2 ILE 3 1HG2 ILE 3 -5.435 3.649 -3.105 18 2HG2 ILE 3 2HG2 ILE 3 -6.337 4.734 -4.164 19 3HG2 ILE 3 3HG2 ILE 3 -4.609 4.490 -4.418 20 1HD1 ILE 3 1HD1 ILE 3 -4.303 6.058 -5.081 21 2HD1 ILE 3 2HD1 ILE 3 -5.070 7.579 -5.544 22 3HD1 ILE 3 3HD1 ILE 3 -3.584 7.594 -4.594 23 H THR 4 H THR 4 -7.442 3.570 -1.635 24 HA THR 4 HA THR 4 -5.549 1.925 -0.011 25 HB THR 4 HB THR 4 -8.540 1.619 0.195 26 HG1 THR 4 HG1 THR 4 -6.842 3.219 1.803 27 1HG2 THR 4 1HG2 THR 4 -6.285 0.225 1.187 28 2HG2 THR 4 2HG2 THR 4 -7.004 1.063 2.562 29 3HG2 THR 4 3HG2 THR 4 -7.979 -0.045 1.598 30 H TYR 5 H TYR 5 -4.852 0.346 -1.397 31 HA TYR 5 HA TYR 5 -6.868 -0.713 -3.333 32 1HB TYR 5 1HB TYR 5 -5.307 -0.746 -4.997 33 2HB TYR 5 2HB TYR 5 -4.657 0.581 -4.046 34 HD1 TYR 5 HD1 TYR 5 -4.345 -3.146 -4.512 35 HD2 TYR 5 HD2 TYR 5 -2.488 0.498 -3.199 36 HE1 TYR 5 HE1 TYR 5 -2.188 -4.302 -4.357 37 HE2 TYR 5 HE2 TYR 5 -0.318 -0.681 -3.037 38 HH TYR 5 HH TYR 5 0.631 -2.922 -4.334 39 H ARG 6 H ARG 6 -7.160 -2.893 -3.471 40 HA ARG 6 HA ARG 6 -5.903 -4.486 -1.336 41 1HB ARG 6 1HB ARG 6 -8.315 -4.725 -3.042 42 2HB ARG 6 2HB ARG 6 -7.516 -6.246 -2.643 43 1HG ARG 6 1HG ARG 6 -7.466 -5.093 -0.212 44 2HG ARG 6 2HG ARG 6 -8.910 -4.316 -0.860 45 1HD ARG 6 1HD ARG 6 -9.772 -6.589 -1.488 46 2HD ARG 6 2HD ARG 6 -8.389 -7.294 -0.651 47 HE ARG 6 HE ARG 6 -9.597 -6.957 1.334 48 1HH1 ARG 6 1HH1 ARG 6 -9.395 -4.131 1.671 49 2HH1 ARG 6 2HH1 ARG 6 -11.012 -3.543 1.480 50 1HH2 ARG 6 1HH2 ARG 6 -12.155 -6.418 -0.088 51 2HH2 ARG 6 2HH2 ARG 6 -12.576 -4.837 0.483 52 H VAL 7 H VAL 7 -4.184 -5.663 -1.682 53 HA VAL 7 HA VAL 7 -3.060 -5.960 -4.353 54 HB VAL 7 HB VAL 7 -2.129 -7.285 -1.803 55 1HG1 VAL 7 1HG1 VAL 7 -1.101 -6.959 -4.488 56 2HG1 VAL 7 2HG1 VAL 7 -0.018 -6.182 -3.320 57 3HG1 VAL 7 3HG1 VAL 7 -0.437 -7.894 -3.146 58 1HG2 VAL 7 1HG2 VAL 7 -2.524 -4.483 -2.311 59 2HG2 VAL 7 2HG2 VAL 7 -1.791 -5.255 -0.889 60 3HG2 VAL 7 3HG2 VAL 7 -0.773 -4.821 -2.268 61 H ARG 8 H ARG 8 -3.958 -7.482 -5.659 62 HA ARG 8 HA ARG 8 -4.966 -10.009 -4.450 63 1HB ARG 8 2HB ARG 8 -6.296 -10.270 -6.371 64 2HB ARG 8 1HB ARG 8 -5.249 -9.244 -7.350 65 1HG ARG 8 1HG ARG 8 -6.813 -8.201 -4.977 66 2HG ARG 8 2HG ARG 8 -6.005 -7.263 -6.231 67 1HD ARG 8 1HD ARG 8 -7.585 -8.470 -7.881 68 2HD ARG 8 2HD ARG 8 -8.520 -8.911 -6.451 69 HE ARG 8 HE ARG 8 -8.038 -6.113 -6.343 70 1HH1 ARG 8 1HH1 ARG 8 -10.456 -8.288 -6.912 71 2HH1 ARG 8 2HH1 ARG 8 -11.371 -7.295 -7.996 72 1HH2 ARG 8 1HH2 ARG 8 -8.891 -4.893 -8.315 73 2HH2 ARG 8 2HH2 ARG 8 -10.487 -5.373 -8.790 74 H LYS 9 H LYS 9 -4.385 -12.070 -5.586 75 HA LYS 9 HA LYS 9 -1.594 -12.399 -5.870 76 1HB LYS 9 1HB LYS 9 -3.920 -14.018 -6.915 77 2HB LYS 9 2HB LYS 9 -2.247 -14.497 -7.209 78 1HG LYS 9 1HG LYS 9 -1.939 -14.217 -4.648 79 2HG LYS 9 2HG LYS 9 -3.701 -14.277 -4.578 80 1HD LYS 9 1HD LYS 9 -3.793 -16.478 -5.335 81 2HD LYS 9 2HD LYS 9 -2.222 -16.375 -6.133 82 1HE LYS 9 1HE LYS 9 -1.120 -16.263 -3.915 83 2HE LYS 9 2HE LYS 9 -2.696 -16.424 -3.137 84 1HZ LYS 9 1HZ LYS 9 -2.830 -18.503 -4.708 85 2HZ LYS 9 2HZ LYS 9 -1.135 -18.413 -4.611 86 3HZ LYS 9 3HZ LYS 9 -2.054 -18.591 -3.197 87 H GLY 10 H GLY 10 -0.207 -12.233 -7.610 88 1HA GLY 10 1HA GLY 10 0.435 -11.905 -9.882 89 2HA GLY 10 2HA GLY 10 -1.269 -11.783 -10.319 90 H ASP 11 H ASP 11 -1.044 -9.800 -7.712 91 HA ASP 11 HA ASP 11 -0.855 -7.411 -9.427 92 1HB ASP 11 1HB ASP 11 -1.642 -7.847 -6.542 93 2HB ASP 11 2HB ASP 11 -1.450 -6.239 -7.234 94 H SER 12 H SER 12 0.788 -5.888 -9.267 95 HA SER 12 HA SER 12 3.056 -6.642 -7.467 96 1HB SER 12 1HB SER 12 3.229 -5.031 -10.024 97 2HB SER 12 2HB SER 12 4.565 -5.689 -9.087 98 HG SER 12 HG SER 12 4.054 -7.694 -9.754 99 H LEU 13 H LEU 13 3.785 -5.077 -6.078 100 HA LEU 13 HA LEU 13 2.199 -2.883 -5.288 101 1HB LEU 13 1HB LEU 13 5.120 -3.538 -4.994 102 2HB LEU 13 2HB LEU 13 4.477 -2.022 -4.373 103 HG LEU 13 HG LEU 13 4.522 -3.957 -2.706 104 1HD1 LEU 13 1HD1 LEU 13 2.366 -2.101 -3.337 105 2HD1 LEU 13 2HD1 LEU 13 1.792 -3.531 -2.469 106 3HD1 LEU 13 3HD1 LEU 13 3.066 -2.519 -1.772 107 1HD2 LEU 13 1HD2 LEU 13 2.226 -4.912 -4.450 108 2HD2 LEU 13 2HD2 LEU 13 3.768 -5.744 -4.236 109 3HD2 LEU 13 3HD2 LEU 13 2.655 -5.575 -2.877 110 H SER 14 H SER 14 5.147 -2.710 -7.317 111 HA SER 14 HA SER 14 4.837 0.041 -7.951 112 1HB SER 14 1HB SER 14 6.890 -1.364 -8.379 113 2HB SER 14 2HB SER 14 6.046 -2.082 -9.748 114 HG SER 14 HG SER 14 6.356 -0.312 -10.846 115 H SER 15 H SER 15 3.689 -2.884 -9.663 116 HA SER 15 HA SER 15 2.532 -1.609 -11.907 117 1HB SER 15 1HB SER 15 2.771 -4.043 -11.791 118 2HB SER 15 2HB SER 15 1.616 -4.103 -10.464 119 HG SER 15 HG SER 15 1.077 -3.076 -13.057 120 H ILE 16 H ILE 16 1.128 -2.355 -8.772 121 HA ILE 16 HA ILE 16 -1.494 -1.379 -9.270 122 HB ILE 16 HB ILE 16 0.167 -1.631 -6.761 123 1HG1 ILE 16 2HG1 ILE 16 -1.626 -3.301 -8.257 124 2HG1 ILE 16 1HG1 ILE 16 -2.371 -2.949 -6.696 125 1HG2 ILE 16 1HG2 ILE 16 -2.230 -0.002 -7.221 126 2HG2 ILE 16 2HG2 ILE 16 -2.426 -1.177 -5.926 127 3HG2 ILE 16 3HG2 ILE 16 -1.118 0.003 -5.853 128 1HD1 ILE 16 1HD1 ILE 16 0.380 -3.471 -6.207 129 2HD1 ILE 16 2HD1 ILE 16 -1.005 -4.456 -5.735 130 3HD1 ILE 16 3HD1 ILE 16 -0.205 -4.742 -7.279 131 H ALA 17 H ALA 17 1.420 0.268 -8.001 132 HA ALA 17 HA ALA 17 0.361 2.851 -7.609 133 1HB ALA 17 2HB ALA 17 2.797 3.311 -8.884 134 2HB ALA 17 1HB ALA 17 2.991 1.715 -8.159 135 3HB ALA 17 3HB ALA 17 2.554 3.096 -7.150 136 H LYS 18 H LYS 18 1.661 1.384 -10.610 137 HA LYS 18 HA LYS 18 1.386 3.532 -12.378 138 1HB LYS 18 1HB LYS 18 2.166 1.024 -12.735 139 2HB LYS 18 2HB LYS 18 0.508 0.824 -13.305 140 1HG LYS 18 1HG LYS 18 0.909 2.861 -14.787 141 2HG LYS 18 2HG LYS 18 2.617 2.704 -14.378 142 1HD LYS 18 1HD LYS 18 2.582 0.366 -15.221 143 2HD LYS 18 2HD LYS 18 0.896 0.585 -15.695 144 1HE LYS 18 1HE LYS 18 1.441 2.159 -17.361 145 2HE LYS 18 2HE LYS 18 3.029 2.480 -16.665 146 1HZ LYS 18 1HZ LYS 18 3.700 0.234 -17.261 147 2HZ LYS 18 2HZ LYS 18 2.176 -0.060 -17.944 148 3HZ LYS 18 3HZ LYS 18 3.205 1.104 -18.634 149 H ARG 19 H ARG 19 -1.148 1.329 -11.222 150 HA ARG 19 HA ARG 19 -3.250 2.119 -12.945 151 1HB ARG 19 1HB ARG 19 -3.122 0.319 -11.007 152 2HB ARG 19 2HB ARG 19 -3.795 1.630 -10.038 153 1HG ARG 19 2HG ARG 19 -5.321 1.717 -12.348 154 2HG ARG 19 1HG ARG 19 -5.810 0.975 -10.824 155 1HD ARG 19 1HD ARG 19 -4.073 -0.676 -12.578 156 2HD ARG 19 2HD ARG 19 -5.464 -1.150 -11.603 157 HE ARG 19 HE ARG 19 -6.807 -0.837 -13.508 158 1HH1 ARG 19 1HH1 ARG 19 -7.202 1.433 -14.634 159 2HH1 ARG 19 2HH1 ARG 19 -6.025 1.732 -15.869 160 1HH2 ARG 19 1HH2 ARG 19 -3.826 -0.696 -14.732 161 2HH2 ARG 19 2HH2 ARG 19 -4.114 0.527 -15.924 162 H HIS 20 H HIS 20 -1.853 3.742 -10.152 163 HA HIS 20 HA HIS 20 -3.816 5.966 -10.544 164 1HB HIS 20 2HB HIS 20 -4.044 6.126 -8.302 165 2HB HIS 20 1HB HIS 20 -2.307 6.092 -8.059 166 HD1 HIS 20 HD1 HIS 20 -5.338 3.944 -7.965 167 HD2 HIS 20 HD2 HIS 20 -1.217 3.431 -7.699 168 HE1 HIS 20 HE1 HIS 20 -4.937 1.618 -7.040 169 H GLY 21 H GLY 21 -0.873 5.244 -11.600 170 1HA GLY 21 1HA GLY 21 1.087 6.468 -12.058 171 2HA GLY 21 2HA GLY 21 0.016 7.875 -12.069 172 H VAL 22 H VAL 22 1.080 5.624 -9.514 173 HA VAL 22 HA VAL 22 1.822 8.018 -7.889 174 HB VAL 22 HB VAL 22 1.402 6.183 -6.005 175 1HG1 VAL 22 1HG1 VAL 22 -0.586 7.922 -7.465 176 2HG1 VAL 22 2HG1 VAL 22 -1.016 7.052 -5.990 177 3HG1 VAL 22 3HG1 VAL 22 0.265 8.264 -5.959 178 1HG2 VAL 22 1HG2 VAL 22 0.794 4.572 -7.950 179 2HG2 VAL 22 2HG2 VAL 22 -0.227 4.594 -6.516 180 3HG2 VAL 22 3HG2 VAL 22 -0.739 5.447 -7.974 181 H ASN 23 H ASN 23 3.370 7.344 -6.021 182 HA ASN 23 HA ASN 23 5.565 5.739 -7.258 183 1HB ASN 23 1HB ASN 23 5.474 8.242 -5.775 184 2HB ASN 23 2HB ASN 23 6.615 7.101 -5.063 185 2HD2 ASN 23 2HD2 ASN 23 6.413 9.506 -7.376 186 1HD2 ASN 23 1HD2 ASN 23 7.690 9.023 -8.383 187 H ILE 24 H ILE 24 5.093 3.669 -6.526 188 HA ILE 24 HA ILE 24 4.102 2.968 -3.988 189 HB ILE 24 HB ILE 24 6.050 1.379 -5.684 190 1HG1 ILE 24 1HG1 ILE 24 4.039 2.171 -6.875 191 2HG1 ILE 24 2HG1 ILE 24 4.025 0.430 -6.649 192 1HG2 ILE 24 1HG2 ILE 24 4.390 0.813 -3.281 193 2HG2 ILE 24 2HG2 ILE 24 4.392 -0.409 -4.561 194 3HG2 ILE 24 3HG2 ILE 24 5.913 0.075 -3.795 195 1HD1 ILE 24 1HD1 ILE 24 2.618 2.372 -4.776 196 2HD1 ILE 24 2HD1 ILE 24 1.820 1.533 -6.110 197 3HD1 ILE 24 3HD1 ILE 24 2.500 0.593 -4.778 198 H LYS 25 H LYS 25 7.266 4.133 -4.874 199 HA LYS 25 HA LYS 25 8.684 3.113 -2.585 200 1HB LYS 25 1HB LYS 25 10.208 5.075 -2.966 201 2HB LYS 25 2HB LYS 25 9.979 4.061 -4.389 202 1HG LYS 25 1HG LYS 25 8.402 5.628 -5.338 203 2HG LYS 25 2HG LYS 25 8.379 6.577 -3.852 204 1HD LYS 25 1HD LYS 25 10.879 6.133 -5.498 205 2HD LYS 25 2HD LYS 25 9.828 7.536 -5.691 206 1HE LYS 25 1HE LYS 25 10.125 7.728 -3.071 207 2HE LYS 25 2HE LYS 25 11.587 6.791 -3.380 208 1HZ LYS 25 1HZ LYS 25 12.147 8.473 -5.107 209 2HZ LYS 25 2HZ LYS 25 10.850 9.412 -4.552 210 3HZ LYS 25 3HZ LYS 25 12.153 9.074 -3.518 211 H ASP 26 H ASP 26 6.679 5.988 -3.206 212 HA ASP 26 HA ASP 26 7.056 7.192 -0.627 213 1HB ASP 26 2HB ASP 26 5.023 8.435 -1.058 214 2HB ASP 26 1HB ASP 26 4.533 7.289 -2.298 215 H VAL 27 H VAL 27 4.872 4.796 -1.979 216 HA VAL 27 HA VAL 27 3.257 4.376 0.336 217 HB VAL 27 HB VAL 27 4.172 2.469 -1.828 218 1HG1 VAL 27 1HG1 VAL 27 3.537 1.403 0.437 219 2HG1 VAL 27 2HG1 VAL 27 1.909 1.996 0.110 220 3HG1 VAL 27 3HG1 VAL 27 2.662 0.842 -0.989 221 1HG2 VAL 27 1HG2 VAL 27 2.577 4.571 -2.045 222 2HG2 VAL 27 2HG2 VAL 27 2.215 3.072 -2.905 223 3HG2 VAL 27 3HG2 VAL 27 1.392 3.445 -1.385 224 H MET 28 H MET 28 6.348 2.849 -0.651 225 HA MET 28 HA MET 28 6.600 1.345 1.817 226 1HB MET 28 1HB MET 28 8.718 2.214 -0.179 227 2HB MET 28 2HB MET 28 8.936 1.000 1.084 228 1HG MET 28 1HG MET 28 7.070 -0.321 0.074 229 2HG MET 28 2HG MET 28 6.992 0.853 -1.238 230 1HE MET 28 1HE MET 28 7.091 -1.382 -2.530 231 2HE MET 28 2HE MET 28 8.554 -2.334 -2.818 232 3HE MET 28 3HE MET 28 7.681 -2.491 -1.295 233 H ARG 29 H ARG 29 6.921 4.634 1.003 234 HA ARG 29 HA ARG 29 8.981 5.327 2.944 235 1HB ARG 29 1HB ARG 29 8.226 6.678 0.867 236 2HB ARG 29 2HB ARG 29 6.884 7.216 1.875 237 1HG ARG 29 1HG ARG 29 8.340 8.249 3.445 238 2HG ARG 29 2HG ARG 29 9.756 7.429 2.785 239 1HD ARG 29 1HD ARG 29 8.340 8.971 0.752 240 2HD ARG 29 2HD ARG 29 8.878 9.981 2.094 241 HE ARG 29 HE ARG 29 10.679 8.314 0.395 242 1HH1 ARG 29 1HH1 ARG 29 11.249 9.216 3.376 243 2HH1 ARG 29 2HH1 ARG 29 12.341 10.522 3.062 244 1HH2 ARG 29 1HH2 ARG 29 11.588 10.689 -0.319 245 2HH2 ARG 29 2HH2 ARG 29 12.533 11.357 0.969 246 H TRP 30 H TRP 30 5.399 5.412 2.894 247 HA TRP 30 HA TRP 30 5.344 6.390 5.671 248 1HB TRP 30 2HB TRP 30 2.953 6.324 5.489 249 2HB TRP 30 1HB TRP 30 3.025 5.248 4.093 250 HD1 TRP 30 HD1 TRP 30 4.352 8.768 5.032 251 HE1 TRP 30 HE1 TRP 30 4.204 10.252 2.926 252 HE3 TRP 30 HE3 TRP 30 2.527 5.371 1.718 253 HZ2 TRP 30 HZ2 TRP 30 3.410 10.012 0.182 254 HZ3 TRP 30 HZ3 TRP 30 2.081 6.008 -0.625 255 HH2 TRP 30 HH2 TRP 30 2.521 8.322 -1.406 256 H ASN 31 H ASN 31 4.494 3.334 3.998 257 HA ASN 31 HA ASN 31 4.494 2.029 6.673 258 1HB ASN 31 1HB ASN 31 3.629 0.031 5.333 259 2HB ASN 31 2HB ASN 31 2.539 1.405 5.498 260 2HD2 ASN 31 2HD2 ASN 31 1.908 2.516 3.557 261 1HD2 ASN 31 1HD2 ASN 31 2.457 2.069 2.023 262 H SER 32 H SER 32 6.078 0.628 7.236 263 HA SER 32 HA SER 32 8.313 0.273 5.314 264 1HB SER 32 1HB SER 32 9.088 1.149 7.388 265 2HB SER 32 2HB SER 32 8.107 0.013 8.311 266 HG SER 32 HG SER 32 10.595 -0.277 7.475 267 H ASP 33 H ASP 33 7.283 -1.795 7.954 268 HA ASP 33 HA ASP 33 7.787 -4.202 6.438 269 1HB ASP 33 1HB ASP 33 6.240 -5.165 8.404 270 2HB ASP 33 2HB ASP 33 7.919 -4.714 8.686 271 H THR 34 H THR 34 6.551 -4.073 4.534 272 HA THR 34 HA THR 34 3.669 -3.585 4.699 273 HB THR 34 HB THR 34 4.015 -4.386 2.160 274 HG1 THR 34 HG1 THR 34 6.148 -4.946 2.348 275 1HG2 THR 34 1HG2 THR 34 4.640 -1.770 3.511 276 2HG2 THR 34 2HG2 THR 34 4.759 -1.929 1.757 277 3HG2 THR 34 3HG2 THR 34 3.218 -2.213 2.566 278 H ALA 35 H ALA 35 4.174 -5.759 6.284 279 HA ALA 35 HA ALA 35 3.956 -8.272 4.893 280 1HB ALA 35 1HB ALA 35 4.658 -7.839 7.350 281 2HB ALA 35 3HB ALA 35 3.642 -9.245 7.025 282 3HB ALA 35 2HB ALA 35 2.927 -7.772 7.684 283 H ASN 36 H ASN 36 1.784 -5.713 5.277 284 HA ASN 36 HA ASN 36 -0.632 -7.360 5.370 285 1HB ASN 36 1HB ASN 36 -0.229 -4.393 4.887 286 2HB ASN 36 2HB ASN 36 -1.798 -5.179 5.061 287 2HD2 ASN 36 2HD2 ASN 36 -1.606 -3.382 6.960 288 1HD2 ASN 36 1HD2 ASN 36 -1.086 -4.006 8.451 289 H LEU 37 H LEU 37 1.609 -6.789 2.973 290 HA LEU 37 HA LEU 37 -0.326 -6.333 0.803 291 1HB LEU 37 1HB LEU 37 2.650 -6.872 0.855 292 2HB LEU 37 2HB LEU 37 1.724 -6.854 -0.649 293 HG LEU 37 HG LEU 37 1.140 -4.583 -0.405 294 1HD1 LEU 37 1HD1 LEU 37 2.054 -4.899 2.457 295 2HD1 LEU 37 2HD1 LEU 37 1.810 -3.322 1.715 296 3HD1 LEU 37 3HD1 LEU 37 0.457 -4.437 1.875 297 1HD2 LEU 37 1HD2 LEU 37 3.980 -5.078 0.504 298 2HD2 LEU 37 2HD2 LEU 37 3.412 -4.738 -1.129 299 3HD2 LEU 37 3HD2 LEU 37 3.380 -3.469 0.096 300 H GLN 38 H GLN 38 -1.556 -8.275 1.614 301 HA GLN 38 HA GLN 38 -0.417 -10.834 0.609 302 1HB GLN 38 1HB GLN 38 -2.563 -10.181 2.647 303 2HB GLN 38 2HB GLN 38 -2.388 -11.797 1.961 304 1HG GLN 38 1HG GLN 38 0.013 -10.409 3.116 305 2HG GLN 38 2HG GLN 38 -1.135 -11.208 4.190 306 2HE2 GLN 38 2HE2 GLN 38 -1.178 -13.521 4.208 307 1HE2 GLN 38 1HE2 GLN 38 -0.104 -14.469 3.297 308 HA PRO 39 HA PRO 39 -3.329 -10.777 -2.590 309 1HB PRO 39 1HB PRO 39 -4.220 -13.395 -2.661 310 2HB PRO 39 2HB PRO 39 -2.651 -12.863 -3.287 311 1HG PRO 39 2HG PRO 39 -1.808 -14.366 -1.736 312 2HG PRO 39 1HG PRO 39 -3.268 -14.297 -0.734 313 1HD PRO 39 1HD PRO 39 -2.035 -12.907 0.640 314 2HD PRO 39 2HD PRO 39 -0.819 -12.607 -0.621 315 H GLY 40 H GLY 40 -4.769 -9.389 -1.452 316 1HA GLY 40 1HA GLY 40 -7.326 -9.424 -1.399 317 2HA GLY 40 2HA GLY 40 -7.141 -10.736 -0.233 318 H ASP 41 H ASP 41 -4.706 -8.257 0.015 319 HA ASP 41 HA ASP 41 -6.194 -7.191 2.397 320 1HB ASP 41 1HB ASP 41 -3.399 -8.009 1.960 321 2HB ASP 41 2HB ASP 41 -3.587 -6.468 2.793 322 H LYS 42 H LYS 42 -6.047 -4.891 2.780 323 HA LYS 42 HA LYS 42 -5.887 -3.356 0.293 324 1HB LYS 42 2HB LYS 42 -7.538 -3.107 2.357 325 2HB LYS 42 1HB LYS 42 -7.058 -1.707 1.405 326 1HG LYS 42 1HG LYS 42 -5.162 -1.372 3.075 327 2HG LYS 42 2HG LYS 42 -6.782 -1.092 3.707 328 1HD LYS 42 1HD LYS 42 -6.669 -3.643 4.341 329 2HD LYS 42 2HD LYS 42 -4.926 -3.396 4.222 330 1HE LYS 42 1HE LYS 42 -4.923 -1.771 5.942 331 2HE LYS 42 2HE LYS 42 -6.669 -1.535 5.837 332 1HZ LYS 42 1HZ LYS 42 -6.481 -4.160 6.377 333 2HZ LYS 42 2HZ LYS 42 -5.163 -3.547 7.255 334 3HZ LYS 42 3HZ LYS 42 -6.729 -2.956 7.544 335 H LEU 43 H LEU 43 -4.611 -1.354 0.153 336 HA LEU 43 HA LEU 43 -2.160 -1.328 1.835 337 1HB LEU 43 1HB LEU 43 -2.352 -2.221 -0.875 338 2HB LEU 43 2HB LEU 43 -1.437 -0.714 -0.850 339 HG LEU 43 HG LEU 43 -0.840 -3.307 0.571 340 1HD1 LEU 43 1HD1 LEU 43 0.405 -1.527 -1.465 341 2HD1 LEU 43 2HD1 LEU 43 1.484 -2.411 -0.383 342 3HD1 LEU 43 3HD1 LEU 43 0.339 -3.287 -1.398 343 1HD2 LEU 43 1HD2 LEU 43 -0.330 -0.567 1.520 344 2HD2 LEU 43 2HD2 LEU 43 -0.207 -2.097 2.391 345 3HD2 LEU 43 3HD2 LEU 43 1.130 -1.546 1.383 346 H THR 44 H THR 44 -1.464 0.741 2.278 347 HA THR 44 HA THR 44 -3.143 2.960 1.592 348 HB THR 44 HB THR 44 -0.653 2.546 3.163 349 HG1 THR 44 HG1 THR 44 -2.308 2.697 4.461 350 1HG2 THR 44 1HG2 THR 44 -1.482 5.235 2.029 351 2HG2 THR 44 2HG2 THR 44 -0.343 5.027 3.355 352 3HG2 THR 44 3HG2 THR 44 0.055 4.412 1.749 353 H LEU 45 H LEU 45 -3.034 4.193 -0.212 354 HA LEU 45 HA LEU 45 -0.450 4.235 -1.716 355 1HB LEU 45 1HB LEU 45 -3.281 4.058 -2.676 356 2HB LEU 45 2HB LEU 45 -2.145 5.004 -3.637 357 HG LEU 45 HG LEU 45 -1.455 2.210 -2.756 358 1HD1 LEU 45 1HD1 LEU 45 -3.010 3.106 -5.191 359 2HD1 LEU 45 2HD1 LEU 45 -2.315 1.496 -4.989 360 3HD1 LEU 45 3HD1 LEU 45 -3.596 2.049 -3.906 361 1HD2 LEU 45 1HD2 LEU 45 -0.607 4.090 -4.973 362 2HD2 LEU 45 2HD2 LEU 45 0.401 3.470 -3.660 363 3HD2 LEU 45 3HD2 LEU 45 -0.159 2.387 -4.942 364 H PHE 46 H PHE 46 -0.580 5.970 0.306 365 HA PHE 46 HA PHE 46 -1.941 8.423 -0.023 366 1HB PHE 46 1HB PHE 46 0.665 7.635 1.229 367 2HB PHE 46 2HB PHE 46 0.330 9.350 1.015 368 HD1 PHE 46 HD1 PHE 46 -2.576 9.496 1.449 369 HD2 PHE 46 HD2 PHE 46 0.416 7.201 3.510 370 HE1 PHE 46 HE1 PHE 46 -3.998 9.463 3.481 371 HE2 PHE 46 HE2 PHE 46 -1.008 7.168 5.540 372 HZ PHE 46 HZ PHE 46 -3.214 8.300 5.525 373 H VAL 47 H VAL 47 0.636 7.002 -1.762 374 HA VAL 47 HA VAL 47 2.116 8.921 -2.961 375 HB VAL 47 HB VAL 47 1.776 7.457 -5.092 376 1HG1 VAL 47 1HG1 VAL 47 2.812 6.547 -2.424 377 2HG1 VAL 47 2HG1 VAL 47 2.901 5.474 -3.829 378 3HG1 VAL 47 3HG1 VAL 47 3.718 7.047 -3.851 379 1HG2 VAL 47 1HG2 VAL 47 -0.444 6.555 -4.384 380 2HG2 VAL 47 2HG2 VAL 47 0.745 5.272 -4.648 381 3HG2 VAL 47 3HG2 VAL 47 0.340 5.780 -3.010 382 H LYS 48 H LYS 48 1.821 10.564 -4.439 383 HA LYS 48 HA LYS 48 -0.974 11.308 -5.043 384 1HB LYS 48 1HB LYS 48 1.673 12.696 -5.068 385 2HB LYS 48 2HB LYS 48 0.413 13.309 -6.140 386 1HG LYS 48 1HG LYS 48 -1.136 13.464 -4.215 387 2HG LYS 48 2HG LYS 48 0.144 12.887 -3.149 388 1HD LYS 48 1HD LYS 48 1.277 14.878 -3.205 389 2HD LYS 48 2HD LYS 48 0.821 15.207 -4.878 390 1HE LYS 48 1HE LYS 48 -0.235 16.731 -3.122 391 2HE LYS 48 2HE LYS 48 -1.356 15.956 -4.240 392 1HZ LYS 48 1HZ LYS 48 -0.694 14.580 -1.737 393 2HZ LYS 48 2HZ LYS 48 -1.766 15.898 -1.674 394 3HZ LYS 48 3HZ LYS 48 -2.130 14.548 -2.639 No H/Q in entry = 394 Start of MODEL 20 1 H1 ASP 1 1H ASP 1 -6.448 12.903 0.700 2 H2 ASP 1 2H ASP 1 -7.992 13.527 1.016 3 H3 ASP 1 3H ASP 1 -7.021 12.982 2.298 4 HA ASP 1 HA ASP 1 -8.458 11.222 2.040 5 1HB ASP 1 1HB ASP 1 -8.592 12.286 -0.678 6 2HB ASP 1 2HB ASP 1 -8.526 10.524 -0.655 7 H SER 2 H SER 2 -7.944 8.929 1.511 8 HA SER 2 HA SER 2 -5.060 8.586 0.782 9 1HB SER 2 1HB SER 2 -4.771 7.017 2.512 10 2HB SER 2 2HB SER 2 -5.767 8.258 3.267 11 HG SER 2 HG SER 2 -7.095 6.673 3.625 12 H ILE 3 H ILE 3 -4.610 6.859 -0.600 13 HA ILE 3 HA ILE 3 -6.936 5.639 -1.894 14 HB ILE 3 HB ILE 3 -3.991 5.575 -2.580 15 1HG1 ILE 3 1HG1 ILE 3 -6.356 7.014 -3.821 16 2HG1 ILE 3 2HG1 ILE 3 -5.014 7.764 -2.955 17 1HG2 ILE 3 1HG2 ILE 3 -5.412 3.539 -3.258 18 2HG2 ILE 3 2HG2 ILE 3 -6.278 4.645 -4.323 19 3HG2 ILE 3 3HG2 ILE 3 -4.550 4.371 -4.555 20 1HD1 ILE 3 1HD1 ILE 3 -4.347 5.984 -5.265 21 2HD1 ILE 3 2HD1 ILE 3 -5.015 7.580 -5.622 22 3HD1 ILE 3 3HD1 ILE 3 -3.524 7.435 -4.689 23 H THR 4 H THR 4 -7.371 3.433 -1.803 24 HA THR 4 HA THR 4 -5.466 1.743 -0.243 25 HB THR 4 HB THR 4 -8.412 1.279 -0.010 26 HG1 THR 4 HG1 THR 4 -8.693 2.927 1.276 27 1HG2 THR 4 1HG2 THR 4 -6.121 0.109 1.031 28 2HG2 THR 4 2HG2 THR 4 -6.707 1.112 2.357 29 3HG2 THR 4 3HG2 THR 4 -7.759 -0.112 1.646 30 H TYR 5 H TYR 5 -4.782 0.207 -1.678 31 HA TYR 5 HA TYR 5 -6.805 -0.793 -3.635 32 1HB TYR 5 1HB TYR 5 -5.224 -0.827 -5.294 33 2HB TYR 5 2HB TYR 5 -4.611 0.510 -4.332 34 HD1 TYR 5 HD1 TYR 5 -4.225 -3.206 -4.803 35 HD2 TYR 5 HD2 TYR 5 -2.448 0.466 -3.459 36 HE1 TYR 5 HE1 TYR 5 -2.048 -4.325 -4.625 37 HE2 TYR 5 HE2 TYR 5 -0.258 -0.673 -3.277 38 HH TYR 5 HH TYR 5 0.106 -4.083 -4.232 39 H ARG 6 H ARG 6 -7.091 -2.974 -3.853 40 HA ARG 6 HA ARG 6 -5.870 -4.634 -1.749 41 1HB ARG 6 1HB ARG 6 -8.319 -4.706 -3.327 42 2HB ARG 6 2HB ARG 6 -7.497 -6.268 -3.337 43 1HG ARG 6 2HG ARG 6 -7.253 -5.635 -0.715 44 2HG ARG 6 1HG ARG 6 -8.617 -6.549 -1.361 45 1HD ARG 6 1HD ARG 6 -8.591 -3.912 -0.161 46 2HD ARG 6 2HD ARG 6 -9.249 -3.837 -1.796 47 HE ARG 6 HE ARG 6 -10.374 -6.038 -0.272 48 1HH1 ARG 6 1HH1 ARG 6 -10.354 -2.796 0.487 49 2HH1 ARG 6 2HH1 ARG 6 -12.062 -2.556 0.337 50 1HH2 ARG 6 1HH2 ARG 6 -12.648 -5.677 -1.055 51 2HH2 ARG 6 2HH2 ARG 6 -13.362 -4.187 -0.534 52 H VAL 7 H VAL 7 -4.120 -5.777 -2.121 53 HA VAL 7 HA VAL 7 -2.993 -5.997 -4.797 54 HB VAL 7 HB VAL 7 -2.043 -7.449 -2.325 55 1HG1 VAL 7 1HG1 VAL 7 -1.024 -6.885 -4.978 56 2HG1 VAL 7 2HG1 VAL 7 0.048 -6.202 -3.742 57 3HG1 VAL 7 3HG1 VAL 7 -0.353 -7.927 -3.721 58 1HG2 VAL 7 1HG2 VAL 7 -2.459 -4.607 -2.653 59 2HG2 VAL 7 2HG2 VAL 7 -1.798 -5.481 -1.258 60 3HG2 VAL 7 3HG2 VAL 7 -0.715 -4.954 -2.556 61 H ARG 8 H ARG 8 -3.912 -7.473 -6.151 62 HA ARG 8 HA ARG 8 -4.873 -10.055 -5.018 63 1HB ARG 8 1HB ARG 8 -5.714 -8.326 -7.221 64 2HB ARG 8 2HB ARG 8 -5.549 -10.012 -7.712 65 1HG ARG 8 1HG ARG 8 -7.552 -10.401 -6.759 66 2HG ARG 8 2HG ARG 8 -6.794 -10.102 -5.196 67 1HD ARG 8 2HD ARG 8 -7.218 -7.548 -6.220 68 2HD ARG 8 1HD ARG 8 -8.194 -8.345 -4.988 69 HE ARG 8 HE ARG 8 -9.886 -8.214 -6.622 70 1HH1 ARG 8 1HH1 ARG 8 -9.638 -10.591 -7.980 71 2HH1 ARG 8 2HH1 ARG 8 -9.061 -10.211 -9.569 72 1HH2 ARG 8 1HH2 ARG 8 -7.933 -7.050 -8.689 73 2HH2 ARG 8 2HH2 ARG 8 -8.095 -8.206 -9.970 74 H LYS 9 H LYS 9 -4.337 -12.048 -6.311 75 HA LYS 9 HA LYS 9 -1.557 -12.346 -6.700 76 1HB LYS 9 1HB LYS 9 -3.829 -13.894 -7.978 77 2HB LYS 9 2HB LYS 9 -2.133 -14.381 -8.033 78 1HG LYS 9 1HG LYS 9 -2.145 -14.279 -5.490 79 2HG LYS 9 2HG LYS 9 -3.900 -14.117 -5.588 80 1HD LYS 9 1HD LYS 9 -4.104 -16.248 -6.704 81 2HD LYS 9 2HD LYS 9 -2.354 -16.384 -6.871 82 1HE LYS 9 1HE LYS 9 -2.767 -17.717 -4.991 83 2HE LYS 9 2HE LYS 9 -2.349 -16.167 -4.261 84 1HZ LYS 9 1HZ LYS 9 -5.093 -16.189 -4.853 85 2HZ LYS 9 2HZ LYS 9 -4.723 -17.603 -3.996 86 3HZ LYS 9 3HZ LYS 9 -4.340 -16.088 -3.335 87 H GLY 10 H GLY 10 -0.221 -11.961 -8.422 88 1HA GLY 10 1HA GLY 10 0.317 -11.518 -10.728 89 2HA GLY 10 2HA GLY 10 -1.398 -11.238 -11.046 90 H ASP 11 H ASP 11 -1.748 -9.473 -8.714 91 HA ASP 11 HA ASP 11 -1.008 -6.968 -9.939 92 1HB ASP 11 1HB ASP 11 -2.090 -7.618 -7.187 93 2HB ASP 11 2HB ASP 11 -1.868 -5.982 -7.793 94 H SER 12 H SER 12 0.870 -5.876 -9.706 95 HA SER 12 HA SER 12 2.740 -6.793 -7.563 96 1HB SER 12 1HB SER 12 3.087 -6.108 -10.366 97 2HB SER 12 2HB SER 12 4.126 -5.120 -9.344 98 HG SER 12 HG SER 12 4.820 -7.361 -10.073 99 H LEU 13 H LEU 13 3.732 -5.198 -6.255 100 HA LEU 13 HA LEU 13 2.211 -2.970 -5.413 101 1HB LEU 13 1HB LEU 13 5.140 -3.661 -5.244 102 2HB LEU 13 2HB LEU 13 4.537 -2.138 -4.598 103 HG LEU 13 HG LEU 13 4.645 -4.033 -2.912 104 1HD1 LEU 13 1HD1 LEU 13 2.503 -2.184 -3.460 105 2HD1 LEU 13 2HD1 LEU 13 1.867 -3.647 -2.699 106 3HD1 LEU 13 3HD1 LEU 13 3.141 -2.715 -1.902 107 1HD2 LEU 13 1HD2 LEU 13 3.837 -5.804 -4.532 108 2HD2 LEU 13 2HD2 LEU 13 2.974 -5.778 -2.994 109 3HD2 LEU 13 3HD2 LEU 13 2.231 -5.074 -4.427 110 H SER 14 H SER 14 5.104 -2.856 -7.527 111 HA SER 14 HA SER 14 4.786 -0.115 -8.215 112 1HB SER 14 1HB SER 14 6.031 -1.087 -10.405 113 2HB SER 14 2HB SER 14 6.862 -0.825 -8.874 114 HG SER 14 HG SER 14 7.274 -2.888 -9.091 115 H SER 15 H SER 15 3.621 -3.084 -9.829 116 HA SER 15 HA SER 15 2.468 -1.901 -12.118 117 1HB SER 15 1HB SER 15 2.604 -4.280 -12.048 118 2HB SER 15 2HB SER 15 1.706 -4.350 -10.536 119 HG SER 15 HG SER 15 -0.109 -4.134 -11.602 120 H ILE 16 H ILE 16 0.998 -2.546 -8.985 121 HA ILE 16 HA ILE 16 -1.579 -1.489 -9.553 122 HB ILE 16 HB ILE 16 0.005 -1.744 -6.990 123 1HG1 ILE 16 2HG1 ILE 16 -1.759 -3.418 -8.537 124 2HG1 ILE 16 1HG1 ILE 16 -2.513 -3.075 -6.979 125 1HG2 ILE 16 1HG2 ILE 16 -2.329 -0.088 -7.556 126 2HG2 ILE 16 2HG2 ILE 16 -2.653 -1.288 -6.311 127 3HG2 ILE 16 3HG2 ILE 16 -1.327 -0.145 -6.107 128 1HD1 ILE 16 1HD1 ILE 16 0.153 -3.580 -6.341 129 2HD1 ILE 16 2HD1 ILE 16 -1.197 -4.691 -6.120 130 3HD1 ILE 16 3HD1 ILE 16 -0.224 -4.770 -7.586 131 H ALA 17 H ALA 17 1.380 0.075 -8.292 132 HA ALA 17 HA ALA 17 0.384 2.687 -7.900 133 1HB ALA 17 2HB ALA 17 2.837 3.043 -9.212 134 2HB ALA 17 1HB ALA 17 2.977 1.482 -8.405 135 3HB ALA 17 3HB ALA 17 2.579 2.924 -7.471 136 H LYS 18 H LYS 18 1.631 1.189 -10.912 137 HA LYS 18 HA LYS 18 1.368 3.360 -12.667 138 1HB LYS 18 1HB LYS 18 1.176 0.398 -12.984 139 2HB LYS 18 2HB LYS 18 0.646 1.403 -14.332 140 1HG LYS 18 1HG LYS 18 3.173 2.307 -13.155 141 2HG LYS 18 2HG LYS 18 3.264 0.674 -13.818 142 1HD LYS 18 1HD LYS 18 1.820 2.615 -15.514 143 2HD LYS 18 2HD LYS 18 3.542 2.946 -15.312 144 1HE LYS 18 2HE LYS 18 3.365 0.168 -15.714 145 2HE LYS 18 1HE LYS 18 3.950 1.368 -16.867 146 1HZ LYS 18 1HZ LYS 18 1.587 1.705 -17.520 147 2HZ LYS 18 2HZ LYS 18 2.204 0.172 -17.901 148 3HZ LYS 18 3HZ LYS 18 1.177 0.364 -16.561 149 H ARG 19 H ARG 19 -1.170 1.180 -11.480 150 HA ARG 19 HA ARG 19 -3.288 1.981 -13.179 151 1HB ARG 19 1HB ARG 19 -3.063 0.273 -11.068 152 2HB ARG 19 2HB ARG 19 -3.981 1.584 -10.329 153 1HG ARG 19 1HG ARG 19 -5.333 1.393 -12.640 154 2HG ARG 19 2HG ARG 19 -4.760 -0.271 -12.523 155 1HD ARG 19 1HD ARG 19 -5.742 -0.502 -10.306 156 2HD ARG 19 2HD ARG 19 -6.210 1.197 -10.301 157 HE ARG 19 HE ARG 19 -7.385 0.013 -12.588 158 1HH1 ARG 19 1HH1 ARG 19 -8.608 1.424 -10.065 159 2HH1 ARG 19 2HH1 ARG 19 -9.759 0.219 -9.592 160 1HH2 ARG 19 1HH2 ARG 19 -8.384 -2.259 -11.593 161 2HH2 ARG 19 2HH2 ARG 19 -9.631 -1.867 -10.459 162 H HIS 20 H HIS 20 -1.860 3.592 -10.385 163 HA HIS 20 HA HIS 20 -3.800 5.837 -10.777 164 1HB HIS 20 2HB HIS 20 -3.990 6.026 -8.532 165 2HB HIS 20 1HB HIS 20 -2.251 5.965 -8.315 166 HD1 HIS 20 HD1 HIS 20 -5.314 3.860 -8.174 167 HD2 HIS 20 HD2 HIS 20 -1.200 3.299 -7.921 168 HE1 HIS 20 HE1 HIS 20 -4.937 1.543 -7.218 169 H GLY 21 H GLY 21 -0.867 5.072 -11.850 170 1HA GLY 21 1HA GLY 21 1.100 6.275 -12.340 171 2HA GLY 21 2HA GLY 21 0.041 7.690 -12.356 172 H VAL 22 H VAL 22 1.095 5.453 -9.788 173 HA VAL 22 HA VAL 22 1.852 7.854 -8.182 174 HB VAL 22 HB VAL 22 1.456 6.022 -6.288 175 1HG1 VAL 22 1HG1 VAL 22 -0.475 7.824 -7.724 176 2HG1 VAL 22 2HG1 VAL 22 -1.018 6.856 -6.351 177 3HG1 VAL 22 3HG1 VAL 22 0.275 8.037 -6.142 178 1HG2 VAL 22 1HG2 VAL 22 0.839 4.404 -8.223 179 2HG2 VAL 22 2HG2 VAL 22 -0.174 4.428 -6.783 180 3HG2 VAL 22 3HG2 VAL 22 -0.696 5.274 -8.242 181 H ASN 23 H ASN 23 3.422 7.209 -6.332 182 HA ASN 23 HA ASN 23 5.622 5.617 -7.571 183 1HB ASN 23 1HB ASN 23 5.497 8.065 -5.917 184 2HB ASN 23 2HB ASN 23 6.793 6.943 -5.501 185 2HD2 ASN 23 2HD2 ASN 23 5.347 7.760 -8.708 186 1HD2 ASN 23 1HD2 ASN 23 6.819 8.228 -9.412 187 H ILE 24 H ILE 24 5.133 3.544 -6.826 188 HA ILE 24 HA ILE 24 4.180 2.863 -4.271 189 HB ILE 24 HB ILE 24 6.096 1.254 -5.983 190 1HG1 ILE 24 1HG1 ILE 24 4.065 2.035 -7.148 191 2HG1 ILE 24 2HG1 ILE 24 4.048 0.296 -6.898 192 1HG2 ILE 24 1HG2 ILE 24 4.475 0.718 -3.545 193 2HG2 ILE 24 2HG2 ILE 24 4.459 -0.520 -4.810 194 3HG2 ILE 24 3HG2 ILE 24 5.990 -0.026 -4.073 195 1HD1 ILE 24 1HD1 ILE 24 2.661 2.293 -5.068 196 2HD1 ILE 24 2HD1 ILE 24 1.856 1.359 -6.336 197 3HD1 ILE 24 3HD1 ILE 24 2.582 0.516 -4.968 198 H LYS 25 H LYS 25 7.346 3.981 -5.228 199 HA LYS 25 HA LYS 25 8.800 2.993 -2.954 200 1HB LYS 25 1HB LYS 25 10.299 4.990 -3.374 201 2HB LYS 25 2HB LYS 25 10.087 3.923 -4.759 202 1HG LYS 25 1HG LYS 25 8.532 5.427 -5.794 203 2HG LYS 25 2HG LYS 25 8.397 6.397 -4.326 204 1HD LYS 25 1HD LYS 25 11.030 6.033 -5.757 205 2HD LYS 25 2HD LYS 25 9.911 7.327 -6.182 206 1HE LYS 25 1HE LYS 25 10.328 7.122 -3.296 207 2HE LYS 25 2HE LYS 25 11.826 7.437 -4.173 208 1HZ LYS 25 1HZ LYS 25 9.753 9.012 -5.249 209 2HZ LYS 25 2HZ LYS 25 9.802 9.240 -3.566 210 3HZ LYS 25 3HZ LYS 25 11.192 9.516 -4.498 211 H ASP 26 H ASP 26 6.738 5.827 -3.540 212 HA ASP 26 HA ASP 26 7.174 7.053 -0.973 213 1HB ASP 26 1HB ASP 26 4.636 7.144 -2.622 214 2HB ASP 26 2HB ASP 26 5.115 8.279 -1.368 215 H VAL 27 H VAL 27 4.963 4.654 -2.281 216 HA VAL 27 HA VAL 27 3.388 4.242 0.072 217 HB VAL 27 HB VAL 27 4.294 2.102 -1.872 218 1HG1 VAL 27 1HG1 VAL 27 2.574 2.152 0.449 219 2HG1 VAL 27 2HG1 VAL 27 1.634 1.757 -0.993 220 3HG1 VAL 27 3HG1 VAL 27 3.034 0.776 -0.558 221 1HG2 VAL 27 1HG2 VAL 27 3.239 4.271 -2.798 222 2HG2 VAL 27 2HG2 VAL 27 2.512 2.739 -3.288 223 3HG2 VAL 27 3HG2 VAL 27 1.755 3.715 -2.027 224 H MET 28 H MET 28 6.530 2.891 -0.934 225 HA MET 28 HA MET 28 6.831 1.319 1.508 226 1HB MET 28 2HB MET 28 9.127 0.957 0.711 227 2HB MET 28 1HB MET 28 8.919 2.217 -0.507 228 1HG MET 28 1HG MET 28 6.855 0.767 -1.245 229 2HG MET 28 2HG MET 28 8.475 0.281 -1.742 230 1HE MET 28 1HE MET 28 9.990 -0.908 -0.077 231 2HE MET 28 2HE MET 28 9.512 -2.496 0.536 232 3HE MET 28 3HE MET 28 9.451 -2.160 -1.192 233 H ARG 29 H ARG 29 7.137 4.609 0.659 234 HA ARG 29 HA ARG 29 9.223 5.327 2.554 235 1HB ARG 29 1HB ARG 29 8.551 6.714 0.548 236 2HB ARG 29 2HB ARG 29 7.055 7.103 1.397 237 1HG ARG 29 1HG ARG 29 8.413 8.011 3.287 238 2HG ARG 29 2HG ARG 29 9.869 7.729 2.331 239 1HD ARG 29 1HD ARG 29 9.511 9.565 1.059 240 2HD ARG 29 2HD ARG 29 7.807 9.171 0.837 241 HE ARG 29 HE ARG 29 8.076 10.089 3.488 242 1HH1 ARG 29 1HH1 ARG 29 6.991 11.130 0.562 243 2HH1 ARG 29 2HH1 ARG 29 7.326 12.811 0.800 244 1HH2 ARG 29 1HH2 ARG 29 9.182 12.308 3.685 245 2HH2 ARG 29 2HH2 ARG 29 8.566 13.478 2.568 246 H TRP 30 H TRP 30 5.649 5.326 2.580 247 HA TRP 30 HA TRP 30 5.615 6.297 5.361 248 1HB TRP 30 1HB TRP 30 3.294 5.125 3.811 249 2HB TRP 30 2HB TRP 30 3.226 6.206 5.204 250 HD1 TRP 30 HD1 TRP 30 4.631 8.653 4.706 251 HE1 TRP 30 HE1 TRP 30 4.423 10.133 2.604 252 HE3 TRP 30 HE3 TRP 30 2.696 5.255 1.450 253 HZ2 TRP 30 HZ2 TRP 30 3.544 9.894 -0.113 254 HZ3 TRP 30 HZ3 TRP 30 2.183 5.893 -0.880 255 HH2 TRP 30 HH2 TRP 30 2.605 8.207 -1.674 256 H ASN 31 H ASN 31 5.105 3.213 3.643 257 HA ASN 31 HA ASN 31 4.853 1.875 6.290 258 1HB ASN 31 2HB ASN 31 4.088 -0.061 5.086 259 2HB ASN 31 1HB ASN 31 4.540 0.655 3.538 260 2HD2 ASN 31 2HD2 ASN 31 3.156 2.369 2.675 261 1HD2 ASN 31 1HD2 ASN 31 1.622 2.684 3.331 262 H SER 32 H SER 32 6.482 0.645 7.066 263 HA SER 32 HA SER 32 8.905 0.343 5.356 264 1HB SER 32 1HB SER 32 10.225 0.456 7.282 265 2HB SER 32 2HB SER 32 8.907 1.553 7.688 266 HG SER 32 HG SER 32 9.561 -0.240 9.220 267 H ASP 33 H ASP 33 6.509 -1.361 7.156 268 HA ASP 33 HA ASP 33 7.629 -3.921 6.151 269 1HB ASP 33 1HB ASP 33 7.975 -3.281 8.751 270 2HB ASP 33 2HB ASP 33 6.351 -3.961 8.843 271 H THR 34 H THR 34 5.737 -2.845 4.723 272 HA THR 34 HA THR 34 3.059 -3.375 5.753 273 HB THR 34 HB THR 34 3.200 -1.556 4.241 274 HG1 THR 34 HG1 THR 34 1.446 -3.013 3.881 275 1HG2 THR 34 1HG2 THR 34 4.968 -3.400 2.723 276 2HG2 THR 34 2HG2 THR 34 4.004 -2.263 1.782 277 3HG2 THR 34 3HG2 THR 34 5.121 -1.665 3.007 278 H ALA 35 H ALA 35 4.010 -5.665 6.216 279 HA ALA 35 HA ALA 35 4.226 -7.589 4.122 280 1HB ALA 35 2HB ALA 35 3.325 -9.056 6.237 281 2HB ALA 35 3HB ALA 35 5.007 -8.572 6.023 282 3HB ALA 35 1HB ALA 35 3.943 -7.624 7.062 283 H ASN 36 H ASN 36 1.551 -5.778 5.014 284 HA ASN 36 HA ASN 36 -0.494 -7.788 4.805 285 1HB ASN 36 1HB ASN 36 -0.422 -4.786 4.706 286 2HB ASN 36 2HB ASN 36 -1.886 -5.638 4.215 287 2HD2 ASN 36 1HD2 ASN 36 -0.871 -4.051 6.804 288 1HD2 ASN 36 2HD2 ASN 36 -1.464 -5.025 8.060 289 H LEU 37 H LEU 37 1.701 -6.728 2.494 290 HA LEU 37 HA LEU 37 -0.132 -6.430 0.253 291 1HB LEU 37 1HB LEU 37 2.833 -7.062 0.353 292 2HB LEU 37 2HB LEU 37 1.927 -6.847 -1.147 293 HG LEU 37 HG LEU 37 1.897 -4.604 -0.942 294 1HD1 LEU 37 1HD1 LEU 37 0.208 -4.747 0.869 295 2HD1 LEU 37 2HD1 LEU 37 1.511 -4.898 2.048 296 3HD1 LEU 37 3HD1 LEU 37 1.335 -3.419 1.117 297 1HD2 LEU 37 1HD2 LEU 37 3.920 -5.338 1.182 298 2HD2 LEU 37 2HD2 LEU 37 4.227 -4.898 -0.499 299 3HD2 LEU 37 3HD2 LEU 37 3.660 -3.678 0.643 300 H GLN 38 H GLN 38 -1.371 -8.425 1.052 301 HA GLN 38 HA GLN 38 -0.216 -10.936 -0.056 302 1HB GLN 38 2HB GLN 38 -1.386 -12.123 1.551 303 2HB GLN 38 1HB GLN 38 -2.692 -10.940 1.622 304 1HG GLN 38 1HG GLN 38 -0.036 -9.975 2.526 305 2HG GLN 38 2HG GLN 38 -1.635 -9.682 3.213 306 2HE2 GLN 38 2HE2 GLN 38 0.891 -10.606 4.596 307 1HE2 GLN 38 1HE2 GLN 38 0.472 -12.068 5.350 308 HA PRO 39 HA PRO 39 -3.227 -10.835 -3.163 309 1HB PRO 39 1HB PRO 39 -4.093 -13.461 -3.273 310 2HB PRO 39 2HB PRO 39 -2.548 -12.897 -3.933 311 1HG PRO 39 2HG PRO 39 -1.645 -14.427 -2.443 312 2HG PRO 39 1HG PRO 39 -3.076 -14.398 -1.399 313 1HD PRO 39 1HD PRO 39 -1.818 -13.029 -0.026 314 2HD PRO 39 2HD PRO 39 -0.642 -12.686 -1.314 315 H GLY 40 H GLY 40 -4.672 -9.496 -1.982 316 1HA GLY 40 1HA GLY 40 -7.224 -9.587 -1.864 317 2HA GLY 40 2HA GLY 40 -6.978 -10.899 -0.711 318 H ASP 41 H ASP 41 -4.579 -8.386 -0.484 319 HA ASP 41 HA ASP 41 -6.059 -7.353 1.921 320 1HB ASP 41 1HB ASP 41 -3.290 -8.198 1.483 321 2HB ASP 41 2HB ASP 41 -3.424 -6.617 2.255 322 H LYS 42 H LYS 42 -5.969 -5.059 2.319 323 HA LYS 42 HA LYS 42 -5.795 -3.489 -0.149 324 1HB LYS 42 1HB LYS 42 -6.883 -1.772 1.041 325 2HB LYS 42 2HB LYS 42 -7.555 -3.249 1.730 326 1HG LYS 42 1HG LYS 42 -5.249 -2.763 3.239 327 2HG LYS 42 2HG LYS 42 -5.982 -1.174 3.022 328 1HD LYS 42 1HD LYS 42 -8.074 -1.923 3.935 329 2HD LYS 42 2HD LYS 42 -7.542 -3.605 3.924 330 1HE LYS 42 1HE LYS 42 -5.568 -2.276 5.384 331 2HE LYS 42 2HE LYS 42 -7.076 -1.539 5.925 332 1HZ LYS 42 1HZ LYS 42 -7.911 -3.927 6.092 333 2HZ LYS 42 2HZ LYS 42 -6.275 -4.379 6.017 334 3HZ LYS 42 3HZ LYS 42 -6.829 -3.390 7.283 335 H LEU 43 H LEU 43 -4.570 -1.423 -0.198 336 HA LEU 43 HA LEU 43 -2.149 -1.388 1.522 337 1HB LEU 43 1HB LEU 43 -2.264 -2.280 -1.188 338 2HB LEU 43 2HB LEU 43 -1.370 -0.761 -1.141 339 HG LEU 43 HG LEU 43 -0.797 -3.325 0.344 340 1HD1 LEU 43 1HD1 LEU 43 0.443 -1.666 -1.779 341 2HD1 LEU 43 2HD1 LEU 43 1.541 -2.430 -0.631 342 3HD1 LEU 43 3HD1 LEU 43 0.428 -3.417 -1.580 343 1HD2 LEU 43 1HD2 LEU 43 -0.181 -0.527 1.125 344 2HD2 LEU 43 2HD2 LEU 43 -0.273 -1.980 2.123 345 3HD2 LEU 43 3HD2 LEU 43 1.178 -1.651 1.174 346 H THR 44 H THR 44 -1.467 0.683 1.979 347 HA THR 44 HA THR 44 -3.138 2.900 1.266 348 HB THR 44 HB THR 44 -0.699 2.470 2.896 349 HG1 THR 44 HG1 THR 44 -3.212 3.684 3.083 350 1HG2 THR 44 1HG2 THR 44 -1.401 5.171 1.706 351 2HG2 THR 44 2HG2 THR 44 -0.279 4.927 3.041 352 3HG2 THR 44 3HG2 THR 44 0.100 4.280 1.442 353 H LEU 45 H LEU 45 -2.954 4.243 -0.464 354 HA LEU 45 HA LEU 45 -0.370 4.226 -1.966 355 1HB LEU 45 1HB LEU 45 -3.194 4.095 -2.969 356 2HB LEU 45 2HB LEU 45 -2.000 4.971 -3.927 357 HG LEU 45 HG LEU 45 -1.413 2.188 -2.957 358 1HD1 LEU 45 1HD1 LEU 45 -2.995 3.054 -5.384 359 2HD1 LEU 45 2HD1 LEU 45 -2.289 1.449 -5.199 360 3HD1 LEU 45 3HD1 LEU 45 -3.544 1.992 -4.084 361 1HD2 LEU 45 1HD2 LEU 45 -0.510 3.989 -5.210 362 2HD2 LEU 45 2HD2 LEU 45 0.482 3.312 -3.913 363 3HD2 LEU 45 3HD2 LEU 45 -0.154 2.265 -5.190 364 H PHE 46 H PHE 46 -0.470 5.992 0.017 365 HA PHE 46 HA PHE 46 -1.828 8.450 -0.355 366 1HB PHE 46 1HB PHE 46 0.836 7.742 0.863 367 2HB PHE 46 2HB PHE 46 0.339 9.426 0.734 368 HD1 PHE 46 HD1 PHE 46 -2.557 9.281 1.224 369 HD2 PHE 46 HD2 PHE 46 0.676 7.186 3.128 370 HE1 PHE 46 HE1 PHE 46 -3.927 9.028 3.276 371 HE2 PHE 46 HE2 PHE 46 -0.696 6.932 5.177 372 HZ PHE 46 HZ PHE 46 -2.998 7.854 5.251 373 H VAL 47 H VAL 47 0.734 6.973 -2.053 374 HA VAL 47 HA VAL 47 2.279 8.811 -3.265 375 HB VAL 47 HB VAL 47 1.840 7.356 -5.408 376 1HG1 VAL 47 1HG1 VAL 47 2.926 6.428 -2.761 377 2HG1 VAL 47 2HG1 VAL 47 3.001 5.392 -4.192 378 3HG1 VAL 47 3HG1 VAL 47 3.813 6.966 -4.187 379 1HG2 VAL 47 1HG2 VAL 47 -0.367 6.489 -4.628 380 2HG2 VAL 47 2HG2 VAL 47 0.800 5.187 -4.893 381 3HG2 VAL 47 3HG2 VAL 47 0.441 5.732 -3.257 382 H LYS 48 H LYS 48 2.109 10.406 -4.812 383 HA LYS 48 HA LYS 48 -0.658 11.222 -5.557 384 1HB LYS 48 1HB LYS 48 1.166 12.752 -4.396 385 2HB LYS 48 2HB LYS 48 1.759 12.929 -6.048 386 1HG LYS 48 1HG LYS 48 -0.380 13.773 -6.797 387 2HG LYS 48 2HG LYS 48 -1.119 13.416 -5.237 388 1HD LYS 48 1HD LYS 48 1.168 15.011 -4.712 389 2HD LYS 48 2HD LYS 48 0.304 15.780 -6.043 390 1HE LYS 48 1HE LYS 48 -1.239 14.793 -3.664 391 2HE LYS 48 2HE LYS 48 -0.377 16.329 -3.561 392 1HZ LYS 48 1HZ LYS 48 -1.526 16.890 -5.731 393 2HZ LYS 48 2HZ LYS 48 -2.540 15.565 -5.429 394 3HZ LYS 48 3HZ LYS 48 -2.498 16.867 -4.338 No H/Q in entry = 394
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