NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
12880 | 1tqz | 6354 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 HT1 MET 1 -8.699 28.095 -1.849 2 2H MET 1 HT2 MET 1 -7.266 27.662 -2.689 3 3H MET 1 HT3 MET 1 -7.498 27.156 -1.066 4 HA MET 1 HA MET 1 -9.694 26.237 -2.322 5 1HB MET 1 HB2 MET 1 -8.612 26.839 -4.472 6 2HB MET 1 HB1 MET 1 -7.260 25.793 -4.066 7 1HG MET 1 HG2 MET 1 -8.336 24.192 -5.154 8 2HG MET 1 HG1 MET 1 -9.443 24.140 -3.784 9 1HE MET 1 HE1 MET 1 -12.583 24.687 -4.904 10 2HE MET 1 HE2 MET 1 -12.093 26.278 -4.320 11 3HE MET 1 HE3 MET 1 -11.448 24.823 -3.561 12 H ALA 2 HN ALA 2 -6.328 25.684 -1.465 13 HA ALA 2 HA ALA 2 -6.941 23.650 0.379 14 1HB ALA 2 HB1 ALA 2 -5.518 21.908 -1.090 15 2HB ALA 2 HB2 ALA 2 -6.353 22.773 -2.380 16 3HB ALA 2 HB3 ALA 2 -7.280 21.978 -1.107 17 H ALA 3 HN ALA 3 -4.549 25.065 -1.781 18 HA ALA 3 HA ALA 3 -2.327 24.304 -0.113 19 1HB ALA 3 HB1 ALA 3 -2.678 25.734 -2.679 20 2HB ALA 3 HB2 ALA 3 -1.549 24.453 -2.237 21 3HB ALA 3 HB3 ALA 3 -1.236 26.116 -1.739 22 H GLU 4 HN GLU 4 -1.811 25.301 1.701 23 HA GLU 4 HA GLU 4 -1.876 28.197 1.856 24 1HB GLU 4 HB2 GLU 4 -3.942 26.604 3.020 25 2HB GLU 4 HB1 GLU 4 -2.986 27.297 4.323 26 1HG GLU 4 HG2 GLU 4 -3.538 29.272 2.303 27 2HG GLU 4 HG1 GLU 4 -5.027 28.522 2.874 28 H LEU 5 HN LEU 5 -1.092 25.104 3.344 29 HA LEU 5 HA LEU 5 1.422 26.209 4.281 30 1HB LEU 5 HB2 LEU 5 1.141 25.352 6.555 31 2HB LEU 5 HB1 LEU 5 -0.039 26.593 6.180 32 HG LEU 5 HG LEU 5 -1.486 24.416 5.550 33 1HD1 LEU 5 HD1 LEU 5 -0.692 23.132 7.915 34 2HD1 LEU 5 HD1 LEU 5 0.780 23.396 6.981 35 3HD1 LEU 5 HD1 LEU 5 -0.574 22.525 6.264 36 1HD2 LEU 5 HD2 LEU 5 -1.384 25.035 8.443 37 2HD2 LEU 5 HD2 LEU 5 -2.758 24.986 7.338 38 3HD2 LEU 5 HD2 LEU 5 -1.680 26.382 7.343 39 H GLU 6 HN GLU 6 3.024 24.796 3.949 40 HA GLU 6 HA GLU 6 2.367 22.108 3.066 41 1HB GLU 6 HB2 GLU 6 5.112 23.337 3.319 42 2HB GLU 6 HB1 GLU 6 4.643 21.954 2.341 43 1HG GLU 6 HG2 GLU 6 3.086 24.250 1.611 44 2HG GLU 6 HG1 GLU 6 4.806 24.635 1.563 45 H TYR 7 HN TYR 7 3.144 20.205 4.023 46 HA TYR 7 HA TYR 7 4.573 20.348 6.547 47 1HB TYR 7 HB2 TYR 7 1.726 20.152 6.476 48 2HB TYR 7 HB1 TYR 7 2.360 18.606 7.023 49 HD1 TYR 7 HD1 TYR 7 2.067 18.473 9.308 50 HD2 TYR 7 HD2 TYR 7 3.495 22.112 7.644 51 HE1 TYR 7 HE1 TYR 7 2.348 19.395 11.571 52 HE2 TYR 7 HE2 TYR 7 3.783 23.044 9.895 53 HH TYR 7 HH TYR 7 2.509 22.386 12.332 54 H GLU 8 HN GLU 8 4.873 18.040 7.438 55 HA GLU 8 HA GLU 8 5.817 16.408 5.252 56 1HB GLU 8 HB2 GLU 8 6.933 16.818 7.584 57 2HB GLU 8 HB1 GLU 8 5.871 15.519 8.112 58 1HG GLU 8 HG2 GLU 8 7.566 14.193 7.514 59 2HG GLU 8 HG1 GLU 8 6.940 14.425 5.882 60 H SER 9 HN SER 9 3.940 15.689 4.225 61 HA SER 9 HA SER 9 2.793 13.338 5.393 62 1HB SER 9 HB2 SER 9 1.300 14.914 6.430 63 2HB SER 9 HB1 SER 9 1.037 15.742 4.895 64 HG SER 9 HG SER 9 -0.674 14.407 5.086 65 H VAL 10 HN VAL 10 2.716 11.917 3.859 66 HA VAL 10 HA VAL 10 3.209 12.434 1.174 67 HB VAL 10 HB VAL 10 2.538 10.110 0.765 68 1HG1 VAL 10 HG1 VAL 10 4.693 10.944 2.083 69 2HG1 VAL 10 HG1 VAL 10 4.379 9.238 1.765 70 3HG1 VAL 10 HG1 VAL 10 3.985 9.929 3.338 71 1HG2 VAL 10 HG2 VAL 10 1.941 8.822 2.944 72 2HG2 VAL 10 HG2 VAL 10 0.674 9.657 2.054 73 3HG2 VAL 10 HG2 VAL 10 1.364 10.390 3.499 74 H LEU 11 HN LEU 11 0.064 11.813 2.764 75 HA LEU 11 HA LEU 11 -2.053 12.258 2.161 76 1HB LEU 11 HB2 LEU 11 -2.501 14.187 1.048 77 2HB LEU 11 HB1 LEU 11 -0.844 14.469 1.531 78 HG LEU 11 HG LEU 11 -0.711 13.285 -1.025 79 1HD1 LEU 11 HD1 LEU 11 -2.339 15.658 -1.504 80 2HD1 LEU 11 HD1 LEU 11 -3.231 14.301 -0.817 81 3HD1 LEU 11 HD1 LEU 11 -2.333 14.095 -2.321 82 1HD2 LEU 11 HD2 LEU 11 -0.456 16.198 -0.297 83 2HD2 LEU 11 HD2 LEU 11 0.296 15.366 -1.658 84 3HD2 LEU 11 HD2 LEU 11 0.791 14.984 -0.009 85 H CYS 12 HN CYS 12 -0.868 9.935 1.124 86 HA CYS 12 HA CYS 12 -1.681 9.676 -1.640 87 1HB CYS 12 HB2 CYS 12 -1.031 7.323 0.093 88 2HB CYS 12 HB1 CYS 12 -0.738 7.549 -1.623 89 HG CYS 12 HG CYS 12 1.500 7.693 -0.212 90 H VAL 13 HN VAL 13 -3.498 8.712 -2.403 91 HA VAL 13 HA VAL 13 -5.275 7.277 -0.629 92 HB VAL 13 HB VAL 13 -7.251 8.606 -1.072 93 1HG1 VAL 13 HG1 VAL 13 -4.929 10.020 0.166 94 2HG1 VAL 13 HG1 VAL 13 -6.344 9.301 0.932 95 3HG1 VAL 13 HG1 VAL 13 -6.499 10.811 0.040 96 1HG2 VAL 13 HG2 VAL 13 -6.471 11.041 -2.029 97 2HG2 VAL 13 HG2 VAL 13 -7.257 9.775 -2.971 98 3HG2 VAL 13 HG2 VAL 13 -5.500 9.929 -2.994 99 H LYS 14 HN LYS 14 -7.293 6.525 -1.872 100 HA LYS 14 HA LYS 14 -7.251 6.450 -4.695 101 1HB LYS 14 HB2 LYS 14 -5.273 5.019 -4.248 102 2HB LYS 14 HB1 LYS 14 -6.317 3.909 -3.369 103 1HG LYS 14 HG2 LYS 14 -5.963 3.056 -5.576 104 2HG LYS 14 HG1 LYS 14 -7.640 3.587 -5.433 105 1HD LYS 14 HD2 LYS 14 -6.025 5.773 -6.340 106 2HD LYS 14 HD1 LYS 14 -5.723 4.365 -7.357 107 1HE LYS 14 HE2 LYS 14 -8.502 4.475 -6.964 108 2HE LYS 14 HE1 LYS 14 -7.992 6.123 -7.310 109 1HZ LYS 14 HZ1 LYS 14 -6.743 5.094 -9.246 110 2HZ LYS 14 HZ2 LYS 14 -8.427 5.184 -9.374 111 3HZ LYS 14 HZ3 LYS 14 -7.687 3.714 -8.985 112 HA PRO 15 HA PRO 15 -11.393 5.442 -3.119 113 1HB PRO 15 HB2 PRO 15 -12.657 6.016 -5.454 114 2HB PRO 15 HB1 PRO 15 -12.149 7.257 -4.303 115 1HG PRO 15 HG2 PRO 15 -10.722 6.282 -6.755 116 2HG PRO 15 HG1 PRO 15 -11.069 7.954 -6.264 117 1HD PRO 15 HD2 PRO 15 -8.675 6.910 -5.808 118 2HD PRO 15 HD1 PRO 15 -9.457 7.921 -4.575 119 H ASP 16 HN ASP 16 -9.766 4.190 -5.946 120 HA ASP 16 HA ASP 16 -11.443 1.780 -5.768 121 1HB ASP 16 HB2 ASP 16 -10.656 3.394 -8.136 122 2HB ASP 16 HB1 ASP 16 -10.676 1.643 -8.329 123 H VAL 17 HN VAL 17 -10.131 0.425 -4.688 124 HA VAL 17 HA VAL 17 -7.725 -0.451 -6.042 125 HB VAL 17 HB VAL 17 -7.010 1.400 -4.495 126 1HG1 VAL 17 HG1 VAL 17 -6.821 0.694 -2.066 127 2HG1 VAL 17 HG1 VAL 17 -8.028 -0.536 -2.433 128 3HG1 VAL 17 HG1 VAL 17 -8.421 1.173 -2.629 129 1HG2 VAL 17 HG2 VAL 17 -5.812 -1.197 -3.605 130 2HG2 VAL 17 HG2 VAL 17 -5.020 0.346 -3.923 131 3HG2 VAL 17 HG2 VAL 17 -5.622 -0.629 -5.264 132 H SER 18 HN SER 18 -6.943 -2.497 -5.267 133 HA SER 18 HA SER 18 -8.884 -3.947 -3.592 134 1HB SER 18 HB2 SER 18 -7.376 -5.239 -5.866 135 2HB SER 18 HB1 SER 18 -8.773 -5.862 -4.988 136 HG SER 18 HG SER 18 -8.717 -4.333 -7.190 137 H VAL 19 HN VAL 19 -8.047 -5.400 -2.126 138 HA VAL 19 HA VAL 19 -5.150 -5.760 -2.071 139 HB VAL 19 HB VAL 19 -5.447 -3.842 -0.666 140 1HG1 VAL 19 HG1 VAL 19 -7.924 -4.395 -0.318 141 2HG1 VAL 19 HG1 VAL 19 -7.051 -3.590 0.986 142 3HG1 VAL 19 HG1 VAL 19 -7.363 -5.323 1.071 143 1HG2 VAL 19 HG2 VAL 19 -5.145 -6.331 1.009 144 2HG2 VAL 19 HG2 VAL 19 -4.694 -4.706 1.520 145 3HG2 VAL 19 HG2 VAL 19 -3.854 -5.471 0.173 146 H TYR 20 HN TYR 20 -4.446 -7.569 -0.916 147 HA TYR 20 HA TYR 20 -6.561 -9.530 -0.381 148 1HB TYR 20 HB2 TYR 20 -3.628 -10.066 -0.855 149 2HB TYR 20 HB1 TYR 20 -4.932 -11.237 -0.814 150 HD1 TYR 20 HD1 TYR 20 -5.983 -11.881 -2.797 151 HD2 TYR 20 HD2 TYR 20 -3.727 -8.286 -2.728 152 HE1 TYR 20 HE1 TYR 20 -6.255 -11.668 -5.234 153 HE2 TYR 20 HE2 TYR 20 -3.993 -8.057 -5.159 154 HH TYR 20 HH TYR 20 -5.947 -10.350 -7.023 155 H ARG 21 HN ARG 21 -6.234 -11.045 1.373 156 HA ARG 21 HA ARG 21 -4.703 -9.920 3.626 157 1HB ARG 21 HB2 ARG 21 -7.366 -9.912 3.598 158 2HB ARG 21 HB1 ARG 21 -7.137 -11.567 4.142 159 1HG ARG 21 HG2 ARG 21 -6.130 -9.069 5.490 160 2HG ARG 21 HG1 ARG 21 -7.433 -10.122 6.041 161 1HD ARG 21 HD2 ARG 21 -4.509 -10.828 5.815 162 2HD ARG 21 HD1 ARG 21 -5.418 -10.572 7.300 163 HE ARG 21 HE ARG 21 -5.627 -12.882 5.511 164 1HH1 ARG 21 HH1 ARG 21 -6.555 -11.305 8.488 165 2HH1 ARG 21 HH1 ARG 21 -7.193 -12.750 9.192 166 1HH2 ARG 21 HH2 ARG 21 -6.468 -14.771 6.437 167 2HH2 ARG 21 HH2 ARG 21 -7.146 -14.717 8.029 168 H ILE 22 HN ILE 22 -3.105 -11.224 4.236 169 HA ILE 22 HA ILE 22 -3.533 -14.133 4.163 170 HB ILE 22 HB ILE 22 -0.867 -12.958 3.428 171 1HG1 ILE 22 HG1 ILE 22 -2.152 -13.964 1.112 172 2HG1 ILE 22 HG1 ILE 22 -3.245 -12.804 1.842 173 1HG2 ILE 22 HG2 ILE 22 -0.669 -15.190 2.280 174 2HG2 ILE 22 HG2 ILE 22 -2.174 -15.642 3.078 175 3HG2 ILE 22 HG2 ILE 22 -0.751 -15.241 4.042 176 1HD1 ILE 22 HD1 ILE 22 -0.534 -11.823 1.785 177 2HD1 ILE 22 HD1 ILE 22 -2.014 -11.095 1.160 178 3HD1 ILE 22 HD1 ILE 22 -1.116 -12.252 0.175 179 HA PRO 23 HA PRO 23 -2.278 -14.164 8.411 180 1HB PRO 23 HB2 PRO 23 -0.514 -16.392 8.047 181 2HB PRO 23 HB1 PRO 23 -2.140 -16.395 8.729 182 1HG PRO 23 HG2 PRO 23 -1.243 -17.061 5.993 183 2HG PRO 23 HG1 PRO 23 -2.679 -17.610 6.874 184 1HD PRO 23 HD2 PRO 23 -2.850 -15.852 4.853 185 2HD PRO 23 HD1 PRO 23 -3.915 -15.745 6.268 186 HA PRO 24 HA PRO 24 1.567 -11.895 8.070 187 1HB PRO 24 HB2 PRO 24 1.957 -11.497 10.738 188 2HB PRO 24 HB1 PRO 24 0.812 -10.554 9.778 189 1HG PRO 24 HG2 PRO 24 0.301 -12.898 11.570 190 2HG PRO 24 HG1 PRO 24 -0.619 -11.390 11.409 191 1HD PRO 24 HD2 PRO 24 -1.411 -13.690 10.239 192 2HD PRO 24 HD1 PRO 24 -1.696 -12.104 9.494 193 H ARG 25 HN ARG 25 2.508 -13.971 7.313 194 HA ARG 25 HA ARG 25 4.355 -15.035 9.334 195 1HB ARG 25 HB2 ARG 25 2.826 -16.662 7.296 196 2HB ARG 25 HB1 ARG 25 4.056 -17.293 8.380 197 1HG ARG 25 HG2 ARG 25 2.093 -15.889 9.907 198 2HG ARG 25 HG1 ARG 25 1.287 -17.039 8.839 199 1HD ARG 25 HD2 ARG 25 1.749 -18.572 10.398 200 2HD ARG 25 HD1 ARG 25 3.414 -18.483 9.823 201 HE ARG 25 HE ARG 25 2.359 -17.407 12.287 202 1HH1 ARG 25 HH1 ARG 25 4.973 -17.346 9.976 203 2HH1 ARG 25 HH1 ARG 25 6.102 -16.652 11.083 204 1HH2 ARG 25 HH2 ARG 25 3.850 -16.496 13.749 205 2HH2 ARG 25 HH2 ARG 25 5.470 -16.177 13.225 206 H ALA 26 HN ALA 26 6.371 -15.764 8.540 207 HA ALA 26 HA ALA 26 7.053 -15.751 5.787 208 1HB ALA 26 HB1 ALA 26 7.287 -13.554 5.477 209 2HB ALA 26 HB2 ALA 26 8.741 -13.690 6.464 210 3HB ALA 26 HB3 ALA 26 7.213 -13.215 7.206 211 H SER 27 HN SER 27 8.541 -17.279 5.706 212 HA SER 27 HA SER 27 10.443 -17.560 7.934 213 1HB SER 27 HB2 SER 27 9.831 -19.617 5.807 214 2HB SER 27 HB1 SER 27 10.680 -19.865 7.333 215 HG SER 27 HG SER 27 8.781 -20.365 8.068 216 H ASN 28 HN ASN 28 10.476 -15.844 5.348 217 HA ASN 28 HA ASN 28 13.282 -16.034 4.924 218 1HB ASN 28 HB2 ASN 28 11.567 -17.597 3.220 219 2HB ASN 28 HB1 ASN 28 12.372 -16.356 2.267 220 1HD2 ASN 28 HD2 ASN 28 12.611 -19.433 3.233 221 2HD2 ASN 28 HD2 ASN 28 14.326 -19.638 3.210 222 H ARG 29 HN ARG 29 13.348 -14.777 2.346 223 HA ARG 29 HA ARG 29 12.027 -12.226 3.008 224 1HB ARG 29 HB2 ARG 29 13.941 -11.248 1.575 225 2HB ARG 29 HB1 ARG 29 14.296 -11.768 3.217 226 1HG ARG 29 HG2 ARG 29 15.270 -13.815 2.408 227 2HG ARG 29 HG1 ARG 29 14.799 -13.423 0.754 228 1HD ARG 29 HD2 ARG 29 16.191 -11.207 1.399 229 2HD ARG 29 HD1 ARG 29 17.035 -12.405 2.380 230 HE ARG 29 HE ARG 29 18.010 -13.133 0.460 231 1HH1 ARG 29 HH1 ARG 29 14.939 -11.698 -0.363 232 2HH1 ARG 29 HH1 ARG 29 15.136 -11.943 -2.063 233 1HH2 ARG 29 HH2 ARG 29 18.281 -13.435 -1.791 234 2HH2 ARG 29 HH2 ARG 29 17.034 -12.915 -2.875 235 H GLY 30 HN GLY 30 13.228 -14.146 0.249 236 1HA GLY 30 HA2 GLY 30 11.837 -12.577 -1.680 237 2HA GLY 30 HA1 GLY 30 12.596 -14.135 -1.965 238 H TYR 31 HN TYR 31 9.773 -12.611 -2.224 239 HA TYR 31 HA TYR 31 7.977 -14.514 -1.078 240 1HB TYR 31 HB2 TYR 31 7.627 -11.987 -1.852 241 2HB TYR 31 HB1 TYR 31 7.101 -12.777 -3.335 242 HD1 TYR 31 HD1 TYR 31 4.786 -12.546 -3.392 243 HD2 TYR 31 HD2 TYR 31 6.647 -13.794 0.221 244 HE1 TYR 31 HE1 TYR 31 2.572 -12.944 -2.398 245 HE2 TYR 31 HE2 TYR 31 4.440 -14.197 1.227 246 HH TYR 31 HH TYR 31 1.512 -14.080 -0.642 247 H ARG 32 HN ARG 32 6.172 -15.261 -2.841 248 HA ARG 32 HA ARG 32 7.299 -16.293 -5.269 249 1HB ARG 32 HB2 ARG 32 7.044 -17.995 -2.840 250 2HB ARG 32 HB1 ARG 32 6.581 -18.707 -4.380 251 1HG ARG 32 HG2 ARG 32 8.864 -17.937 -5.225 252 2HG ARG 32 HG1 ARG 32 9.265 -17.679 -3.526 253 1HD ARG 32 HD2 ARG 32 9.126 -19.937 -3.016 254 2HD ARG 32 HD1 ARG 32 8.112 -20.289 -4.413 255 HE ARG 32 HE ARG 32 10.903 -19.495 -4.830 256 1HH1 ARG 32 HH1 ARG 32 8.417 -21.947 -4.991 257 2HH1 ARG 32 HH1 ARG 32 9.347 -22.996 -6.003 258 1HH2 ARG 32 HH2 ARG 32 12.128 -20.890 -6.150 259 2HH2 ARG 32 HH2 ARG 32 11.450 -22.401 -6.658 260 H ALA 33 HN ALA 33 5.334 -14.765 -5.477 261 HA ALA 33 HA ALA 33 2.739 -15.562 -4.875 262 1HB ALA 33 HB1 ALA 33 1.997 -13.953 -6.420 263 2HB ALA 33 HB2 ALA 33 3.503 -14.027 -7.334 264 3HB ALA 33 HB3 ALA 33 3.486 -13.323 -5.716 265 H SER 34 HN SER 34 4.566 -16.070 -7.882 266 HA SER 34 HA SER 34 2.687 -17.324 -9.418 267 1HB SER 34 HB2 SER 34 5.584 -18.178 -9.223 268 2HB SER 34 HB1 SER 34 4.512 -18.393 -10.606 269 HG SER 34 HG SER 34 4.347 -15.977 -10.487 270 H ASP 35 HN ASP 35 4.371 -18.594 -6.650 271 HA ASP 35 HA ASP 35 3.118 -21.216 -7.059 272 1HB ASP 35 HB2 ASP 35 5.510 -20.322 -5.477 273 2HB ASP 35 HB1 ASP 35 4.689 -21.829 -5.081 274 H TRP 36 HN TRP 36 3.001 -18.370 -5.115 275 HA TRP 36 HA TRP 36 1.729 -19.602 -2.854 276 1HB TRP 36 HB2 TRP 36 2.901 -17.660 -2.299 277 2HB TRP 36 HB1 TRP 36 2.300 -16.782 -3.696 278 HD1 TRP 36 HD1 TRP 36 0.801 -18.254 -0.427 279 HE1 TRP 36 HE1 TRP 36 -0.992 -16.611 0.416 280 HE3 TRP 36 HE3 TRP 36 1.017 -14.802 -4.191 281 HZ2 TRP 36 HZ2 TRP 36 -2.155 -14.188 -0.411 282 HZ3 TRP 36 HZ3 TRP 36 -0.477 -12.855 -4.077 283 HH2 TRP 36 HH2 TRP 36 -2.029 -12.549 -2.226 284 H LYS 37 HN LYS 37 0.600 -17.478 -5.494 285 HA LYS 37 HA LYS 37 -1.467 -17.164 -6.404 286 1HB LYS 37 HB2 LYS 37 -1.167 -19.766 -6.471 287 2HB LYS 37 HB1 LYS 37 -2.399 -19.751 -5.216 288 1HG LYS 37 HG2 LYS 37 -3.632 -20.028 -7.148 289 2HG LYS 37 HG1 LYS 37 -3.740 -18.290 -6.864 290 1HD LYS 37 HD2 LYS 37 -3.236 -18.404 -9.125 291 2HD LYS 37 HD1 LYS 37 -1.650 -18.158 -8.388 292 1HE LYS 37 HE2 LYS 37 -1.069 -20.427 -8.640 293 2HE LYS 37 HE1 LYS 37 -2.733 -20.895 -8.987 294 1HZ LYS 37 HZ1 LYS 37 -2.515 -20.364 -11.133 295 2HZ LYS 37 HZ2 LYS 37 -0.850 -20.457 -10.850 296 3HZ LYS 37 HZ3 LYS 37 -1.630 -18.956 -10.820 297 H LEU 38 HN LEU 38 -3.689 -16.645 -5.902 298 HA LEU 38 HA LEU 38 -4.862 -16.965 -3.389 299 1HB LEU 38 HB2 LEU 38 -2.848 -15.456 -2.871 300 2HB LEU 38 HB1 LEU 38 -3.744 -14.195 -3.693 301 HG LEU 38 HG LEU 38 -5.637 -14.979 -1.978 302 1HD1 LEU 38 HD1 LEU 38 -4.863 -16.423 -0.475 303 2HD1 LEU 38 HD1 LEU 38 -3.908 -15.093 0.178 304 3HD1 LEU 38 HD1 LEU 38 -3.194 -16.195 -0.999 305 1HD2 LEU 38 HD2 LEU 38 -5.339 -12.947 -1.091 306 2HD2 LEU 38 HD2 LEU 38 -4.118 -12.776 -2.350 307 3HD2 LEU 38 HD2 LEU 38 -3.642 -13.234 -0.717 308 H ASP 39 HN ASP 39 -6.933 -16.853 -3.901 309 HA ASP 39 HA ASP 39 -7.853 -14.645 -5.605 310 1HB ASP 39 HB2 ASP 39 -8.497 -17.574 -5.899 311 2HB ASP 39 HB1 ASP 39 -9.530 -16.317 -6.573 312 H GLN 40 HN GLN 40 -8.189 -16.305 -2.694 313 HA GLN 40 HA GLN 40 -11.018 -15.697 -2.449 314 1HB GLN 40 HB2 GLN 40 -10.234 -17.852 -1.613 315 2HB GLN 40 HB1 GLN 40 -9.165 -17.049 -0.485 316 1HG GLN 40 HG2 GLN 40 -11.833 -16.068 -0.158 317 2HG GLN 40 HG1 GLN 40 -11.820 -17.830 -0.089 318 1HE2 GLN 40 HE2 GLN 40 -11.767 -15.234 1.789 319 2HE2 GLN 40 HE2 GLN 40 -10.823 -15.810 3.116 320 HA PRO 41 HA PRO 41 -9.549 -12.770 1.004 321 1HB PRO 41 HB2 PRO 41 -6.884 -12.518 1.532 322 2HB PRO 41 HB1 PRO 41 -7.938 -13.652 2.377 323 1HG PRO 41 HG2 PRO 41 -6.011 -14.143 0.163 324 2HG PRO 41 HG1 PRO 41 -6.389 -15.149 1.565 325 1HD PRO 41 HD2 PRO 41 -7.358 -15.625 -0.942 326 2HD PRO 41 HD1 PRO 41 -8.193 -16.104 0.547 327 H ASP 42 HN ASP 42 -10.156 -11.219 -0.492 328 HA ASP 42 HA ASP 42 -8.147 -9.409 -1.384 329 1HB ASP 42 HB2 ASP 42 -9.084 -9.601 -3.842 330 2HB ASP 42 HB1 ASP 42 -7.760 -10.616 -3.301 331 H TRP 43 HN TRP 43 -9.692 -8.305 0.124 332 HA TRP 43 HA TRP 43 -12.342 -7.767 -0.772 333 1HB TRP 43 HB2 TRP 43 -12.155 -5.900 1.046 334 2HB TRP 43 HB1 TRP 43 -12.199 -7.586 1.531 335 HD1 TRP 43 HD1 TRP 43 -9.644 -8.667 2.098 336 HE1 TRP 43 HE1 TRP 43 -7.703 -7.521 3.344 337 HE3 TRP 43 HE3 TRP 43 -11.073 -3.789 1.523 338 HZ2 TRP 43 HZ2 TRP 43 -6.891 -4.901 4.001 339 HZ3 TRP 43 HZ3 TRP 43 -9.660 -2.026 2.494 340 HH2 TRP 43 HH2 TRP 43 -7.614 -2.573 3.704 341 H THR 44 HN THR 44 -13.154 -5.563 -1.208 342 HA THR 44 HA THR 44 -11.185 -3.968 -2.714 343 HB THR 44 HB THR 44 -13.499 -3.409 -4.017 344 HG1 THR 44 HG1 THR 44 -14.706 -4.956 -2.943 345 1HG2 THR 44 HG2 THR 44 -11.144 -4.843 -4.608 346 2HG2 THR 44 HG2 THR 44 -12.291 -4.104 -5.726 347 3HG2 THR 44 HG2 THR 44 -12.506 -5.781 -5.222 348 H GLY 45 HN GLY 45 -11.180 -1.810 -2.371 349 1HA GLY 45 HA2 GLY 45 -13.371 -0.263 -1.551 350 2HA GLY 45 HA1 GLY 45 -12.473 -0.734 -0.115 351 H ARG 46 HN ARG 46 -12.094 1.530 0.202 352 HA ARG 46 HA ARG 46 -10.196 2.745 -1.669 353 1HB ARG 46 HB2 ARG 46 -12.214 4.038 -1.045 354 2HB ARG 46 HB1 ARG 46 -11.688 4.024 0.630 355 1HG ARG 46 HG2 ARG 46 -9.561 5.001 -0.982 356 2HG ARG 46 HG1 ARG 46 -11.036 5.862 -1.415 357 1HD ARG 46 HD2 ARG 46 -10.435 5.478 1.465 358 2HD ARG 46 HD1 ARG 46 -9.476 6.645 0.564 359 HE ARG 46 HE ARG 46 -12.353 6.794 1.083 360 1HH1 ARG 46 HH1 ARG 46 -9.471 8.241 -0.271 361 2HH1 ARG 46 HH1 ARG 46 -10.169 9.819 -0.377 362 1HH2 ARG 46 HH2 ARG 46 -13.262 8.873 0.933 363 2HH2 ARG 46 HH2 ARG 46 -12.314 10.179 0.304 364 H LEU 47 HN LEU 47 -8.150 3.210 -1.123 365 HA LEU 47 HA LEU 47 -7.311 2.734 1.657 366 1HB LEU 47 HB2 LEU 47 -6.785 0.910 -0.186 367 2HB LEU 47 HB1 LEU 47 -5.485 2.014 -0.590 368 HG LEU 47 HG LEU 47 -5.273 1.749 2.163 369 1HD1 LEU 47 HD1 LEU 47 -5.072 -1.005 1.774 370 2HD1 LEU 47 HD1 LEU 47 -6.643 -0.560 1.109 371 3HD1 LEU 47 HD1 LEU 47 -6.244 -0.152 2.777 372 1HD2 LEU 47 HD2 LEU 47 -3.835 0.629 -0.201 373 2HD2 LEU 47 HD2 LEU 47 -3.361 0.131 1.423 374 3HD2 LEU 47 HD2 LEU 47 -3.305 1.835 0.972 375 H ARG 48 HN ARG 48 -5.762 4.115 2.445 376 HA ARG 48 HA ARG 48 -4.321 5.897 0.697 377 1HB ARG 48 HB2 ARG 48 -5.237 7.959 1.700 378 2HB ARG 48 HB1 ARG 48 -6.441 7.066 0.787 379 1HG ARG 48 HG2 ARG 48 -6.700 6.106 3.366 380 2HG ARG 48 HG1 ARG 48 -6.410 7.832 3.574 381 1HD ARG 48 HD2 ARG 48 -8.209 7.604 1.440 382 2HD ARG 48 HD1 ARG 48 -8.778 6.472 2.664 383 HE ARG 48 HE ARG 48 -8.718 9.361 2.837 384 1HH1 ARG 48 HH1 ARG 48 -9.015 6.350 4.583 385 2HH1 ARG 48 HH1 ARG 48 -9.837 7.068 5.925 386 1HH2 ARG 48 HH2 ARG 48 -9.802 10.301 4.602 387 2HH2 ARG 48 HH2 ARG 48 -10.287 9.308 5.935 388 H ILE 49 HN ILE 49 -2.855 7.351 1.922 389 HA ILE 49 HA ILE 49 -2.410 6.488 4.677 390 HB ILE 49 HB ILE 49 -0.111 6.027 4.419 391 1HG1 ILE 49 HG1 ILE 49 -0.163 6.630 1.480 392 2HG1 ILE 49 HG1 ILE 49 0.185 7.896 2.645 393 1HG2 ILE 49 HG2 ILE 49 -1.003 4.728 1.916 394 2HG2 ILE 49 HG2 ILE 49 -1.981 4.450 3.359 395 3HG2 ILE 49 HG2 ILE 49 -0.267 4.032 3.361 396 1HD1 ILE 49 HD1 ILE 49 1.824 5.783 3.383 397 2HD1 ILE 49 HD1 ILE 49 2.308 7.257 2.546 398 3HD1 ILE 49 HD1 ILE 49 1.888 5.814 1.623 399 H THR 50 HN THR 50 -1.188 7.954 5.958 400 HA THR 50 HA THR 50 -0.489 10.556 4.920 401 HB THR 50 HB THR 50 -2.181 11.404 6.903 402 HG1 THR 50 HG1 THR 50 -3.868 9.728 5.466 403 1HG2 THR 50 HG2 THR 50 -2.154 11.528 4.019 404 2HG2 THR 50 HG2 THR 50 -2.633 12.743 5.203 405 3HG2 THR 50 HG2 THR 50 -3.794 11.530 4.667 406 H SER 51 HN SER 51 0.171 12.065 6.755 407 HA SER 51 HA SER 51 1.025 10.648 9.162 408 1HB SER 51 HB2 SER 51 3.332 11.405 8.957 409 2HB SER 51 HB1 SER 51 2.890 10.462 7.535 410 HG SER 51 HG SER 51 3.241 13.240 7.778 411 H LYS 52 HN LYS 52 0.613 11.831 10.915 412 HA LYS 52 HA LYS 52 -0.450 14.425 10.819 413 1HB LYS 52 HB2 LYS 52 0.850 13.032 13.166 414 2HB LYS 52 HB1 LYS 52 -0.205 14.435 13.260 415 1HG LYS 52 HG2 LYS 52 -2.083 13.217 12.945 416 2HG LYS 52 HG1 LYS 52 -1.276 12.059 11.892 417 1HD LYS 52 HD2 LYS 52 -1.485 10.690 13.680 418 2HD LYS 52 HD1 LYS 52 -0.029 11.531 14.213 419 1HE LYS 52 HE2 LYS 52 -2.870 12.118 15.005 420 2HE LYS 52 HE1 LYS 52 -1.577 11.497 16.033 421 1HZ LYS 52 HZ1 LYS 52 -1.828 14.209 14.867 422 2HZ LYS 52 HZ2 LYS 52 -0.378 13.632 15.520 423 3HZ LYS 52 HZ3 LYS 52 -1.747 13.779 16.502 424 H GLY 53 HN GLY 53 2.751 13.367 12.000 425 1HA GLY 53 HA2 GLY 53 4.095 15.573 10.815 426 2HA GLY 53 HA1 GLY 53 3.820 15.870 12.524 427 H LYS 54 HN LYS 54 4.415 13.807 13.907 428 HA LYS 54 HA LYS 54 7.198 13.248 13.256 429 1HB LYS 54 HB2 LYS 54 5.773 12.382 15.763 430 2HB LYS 54 HB1 LYS 54 7.493 12.653 15.523 431 1HG LYS 54 HG2 LYS 54 5.965 15.051 14.997 432 2HG LYS 54 HG1 LYS 54 5.657 14.423 16.616 433 1HD LYS 54 HD2 LYS 54 8.483 14.467 15.772 434 2HD LYS 54 HD1 LYS 54 7.724 16.045 15.995 435 1HE LYS 54 HE2 LYS 54 8.134 15.820 18.171 436 2HE LYS 54 HE1 LYS 54 6.896 14.565 18.193 437 1HZ LYS 54 HZ1 LYS 54 8.931 13.747 19.156 438 2HZ LYS 54 HZ2 LYS 54 9.806 14.149 17.765 439 3HZ LYS 54 HZ3 LYS 54 8.634 12.931 17.704 440 H ILE 55 HN ILE 55 4.142 11.658 13.214 441 HA ILE 55 HA ILE 55 5.482 9.149 12.473 442 HB ILE 55 HB ILE 55 3.553 7.924 13.578 443 1HG1 ILE 55 HG1 ILE 55 2.632 9.271 15.580 444 2HG1 ILE 55 HG1 ILE 55 3.130 10.692 14.668 445 1HG2 ILE 55 HG2 ILE 55 5.163 7.439 15.007 446 2HG2 ILE 55 HG2 ILE 55 4.730 8.868 15.945 447 3HG2 ILE 55 HG2 ILE 55 5.962 8.978 14.687 448 1HD1 ILE 55 HD1 ILE 55 1.678 9.028 12.910 449 2HD1 ILE 55 HD1 ILE 55 1.236 10.609 13.546 450 3HD1 ILE 55 HD1 ILE 55 0.767 9.146 14.415 451 H ALA 56 HN ALA 56 3.503 7.585 11.664 452 HA ALA 56 HA ALA 56 1.690 9.133 9.978 453 1HB ALA 56 HB1 ALA 56 4.008 7.678 9.032 454 2HB ALA 56 HB2 ALA 56 2.973 8.823 8.185 455 3HB ALA 56 HB3 ALA 56 2.518 7.124 8.276 456 H TYR 57 HN TYR 57 0.084 7.743 8.885 457 HA TYR 57 HA TYR 57 -0.333 5.092 9.922 458 1HB TYR 57 HB2 TYR 57 -2.552 5.572 10.894 459 2HB TYR 57 HB1 TYR 57 -1.255 6.376 11.771 460 HD1 TYR 57 HD1 TYR 57 -4.277 6.811 9.840 461 HD2 TYR 57 HD2 TYR 57 -0.921 8.826 11.488 462 HE1 TYR 57 HE1 TYR 57 -5.449 8.956 9.593 463 HE2 TYR 57 HE2 TYR 57 -2.087 10.972 11.241 464 HH TYR 57 HH TYR 57 -4.131 11.935 10.889 465 H ILE 58 HN ILE 58 -1.606 3.881 8.617 466 HA ILE 58 HA ILE 58 -2.526 5.180 6.158 467 HB ILE 58 HB ILE 58 -2.549 2.945 5.176 468 1HG1 ILE 58 HG1 ILE 58 -1.234 1.303 6.973 469 2HG1 ILE 58 HG1 ILE 58 -2.395 2.158 7.983 470 1HG2 ILE 58 HG2 ILE 58 0.063 2.960 6.581 471 2HG2 ILE 58 HG2 ILE 58 -0.372 4.390 5.645 472 3HG2 ILE 58 HG2 ILE 58 -0.299 2.811 4.862 473 1HD1 ILE 58 HD1 ILE 58 -2.905 -0.103 6.570 474 2HD1 ILE 58 HD1 ILE 58 -3.517 1.151 5.488 475 3HD1 ILE 58 HD1 ILE 58 -4.122 1.041 7.140 476 H LYS 59 HN LYS 59 -4.634 5.438 5.763 477 HA LYS 59 HA LYS 59 -6.543 4.025 7.500 478 1HB LYS 59 HB2 LYS 59 -6.541 6.736 6.234 479 2HB LYS 59 HB1 LYS 59 -8.082 5.946 6.532 480 1HG LYS 59 HG2 LYS 59 -7.100 5.623 8.942 481 2HG LYS 59 HG1 LYS 59 -6.073 6.978 8.470 482 1HD LYS 59 HD2 LYS 59 -8.891 7.372 7.805 483 2HD LYS 59 HD1 LYS 59 -8.602 7.172 9.534 484 1HE LYS 59 HE2 LYS 59 -7.394 9.097 9.697 485 2HE LYS 59 HE1 LYS 59 -6.791 8.987 8.044 486 1HZ LYS 59 HZ1 LYS 59 -8.387 10.826 8.439 487 2HZ LYS 59 HZ2 LYS 59 -9.593 9.677 8.734 488 3HZ LYS 59 HZ3 LYS 59 -8.863 9.764 7.211 489 H LEU 60 HN LEU 60 -8.283 2.963 6.633 490 HA LEU 60 HA LEU 60 -8.639 2.949 3.740 491 1HB LEU 60 HB2 LEU 60 -8.773 0.364 3.933 492 2HB LEU 60 HB1 LEU 60 -7.210 1.142 3.782 493 HG LEU 60 HG LEU 60 -8.006 0.807 6.562 494 1HD1 LEU 60 HD1 LEU 60 -7.293 -1.770 5.298 495 2HD1 LEU 60 HD1 LEU 60 -8.970 -1.238 5.181 496 3HD1 LEU 60 HD1 LEU 60 -8.216 -1.443 6.763 497 1HD2 LEU 60 HD2 LEU 60 -5.724 1.330 5.470 498 2HD2 LEU 60 HD2 LEU 60 -5.633 -0.414 5.220 499 3HD2 LEU 60 HD2 LEU 60 -5.786 0.236 6.852 500 H GLU 61 HN GLU 61 -10.646 2.037 3.059 501 HA GLU 61 HA GLU 61 -12.578 0.929 4.709 502 1HB GLU 61 HB2 GLU 61 -14.087 3.081 4.799 503 2HB GLU 61 HB1 GLU 61 -12.903 2.755 6.056 504 1HG GLU 61 HG2 GLU 61 -11.750 4.597 5.593 505 2HG GLU 61 HG1 GLU 61 -11.783 4.284 3.858 506 H ASP 62 HN ASP 62 -13.672 3.665 2.871 507 HA ASP 62 HA ASP 62 -13.895 2.356 0.356 508 1HB ASP 62 HB2 ASP 62 -15.633 1.084 1.480 509 2HB ASP 62 HB1 ASP 62 -16.369 2.563 2.086 510 H LYS 63 HN LYS 63 -13.990 3.935 -1.155 511 HA LYS 63 HA LYS 63 -14.029 6.652 -0.416 512 1HB LYS 63 HB2 LYS 63 -12.944 5.918 -2.464 513 2HB LYS 63 HB1 LYS 63 -14.490 5.413 -3.133 514 1HG LYS 63 HG2 LYS 63 -13.973 7.500 -4.121 515 2HG LYS 63 HG1 LYS 63 -15.238 7.803 -2.936 516 1HD LYS 63 HD2 LYS 63 -13.901 9.078 -1.644 517 2HD LYS 63 HD1 LYS 63 -12.502 8.033 -1.891 518 1HE LYS 63 HE2 LYS 63 -11.959 9.072 -3.935 519 2HE LYS 63 HE1 LYS 63 -13.533 9.856 -4.044 520 1HZ LYS 63 HZ1 LYS 63 -12.826 11.564 -2.835 521 2HZ LYS 63 HZ2 LYS 63 -11.257 10.986 -3.091 522 3HZ LYS 63 HZ3 LYS 63 -12.088 10.577 -1.675 523 H VAL 64 HN VAL 64 -16.567 4.446 -1.110 524 HA VAL 64 HA VAL 64 -18.506 6.496 -1.717 525 HB VAL 64 HB VAL 64 -19.237 3.670 -1.031 526 1HG1 VAL 64 HG1 VAL 64 -20.491 5.972 -2.278 527 2HG1 VAL 64 HG1 VAL 64 -21.218 4.520 -1.590 528 3HG1 VAL 64 HG1 VAL 64 -20.637 4.512 -3.255 529 1HG2 VAL 64 HG2 VAL 64 -17.330 4.313 -3.010 530 2HG2 VAL 64 HG2 VAL 64 -18.833 3.960 -3.857 531 3HG2 VAL 64 HG2 VAL 64 -18.146 2.771 -2.751 532 H SER 65 HN SER 65 -18.177 4.053 0.883 533 HA SER 65 HA SER 65 -18.728 5.905 2.937 534 1HB SER 65 HB2 SER 65 -21.021 4.948 1.566 535 2HB SER 65 HB1 SER 65 -21.002 4.166 3.147 536 HG SER 65 HG SER 65 -21.548 6.740 2.503 537 H GLY 66 HN GLY 66 -18.943 2.535 1.890 538 1HA GLY 66 HA2 GLY 66 -18.080 0.624 2.817 539 2HA GLY 66 HA1 GLY 66 -17.101 1.653 3.850 540 H GLU 67 HN GLU 67 -17.343 0.701 5.791 541 HA GLU 67 HA GLU 67 -19.690 1.144 7.280 542 1HB GLU 67 HB2 GLU 67 -19.695 -1.253 5.719 543 2HB GLU 67 HB1 GLU 67 -19.629 -1.693 7.420 544 1HG GLU 67 HG2 GLU 67 -21.681 -0.768 7.881 545 2HG GLU 67 HG1 GLU 67 -21.605 0.349 6.520 546 H LEU 68 HN LEU 68 -17.603 -1.740 7.412 547 HA LEU 68 HA LEU 68 -17.083 -1.694 10.099 548 1HB LEU 68 HB2 LEU 68 -15.318 -2.638 7.844 549 2HB LEU 68 HB1 LEU 68 -14.934 -2.908 9.531 550 HG LEU 68 HG LEU 68 -17.621 -3.801 8.660 551 1HD1 LEU 68 HD1 LEU 68 -16.954 -5.088 6.979 552 2HD1 LEU 68 HD1 LEU 68 -15.890 -5.950 8.090 553 3HD1 LEU 68 HD1 LEU 68 -15.285 -4.559 7.191 554 1HD2 LEU 68 HD2 LEU 68 -15.435 -4.912 10.413 555 2HD2 LEU 68 HD2 LEU 68 -16.964 -5.734 10.098 556 3HD2 LEU 68 HD2 LEU 68 -16.954 -4.176 10.926 557 H PHE 69 HN PHE 69 -14.585 -0.623 7.765 558 HA PHE 69 HA PHE 69 -13.196 1.217 7.810 559 1HB PHE 69 HB2 PHE 69 -15.172 2.339 9.068 560 2HB PHE 69 HB1 PHE 69 -14.230 2.023 10.519 561 HD1 PHE 69 HD1 PHE 69 -11.535 2.669 9.924 562 HD2 PHE 69 HD2 PHE 69 -15.067 4.543 8.462 563 HE1 PHE 69 HE1 PHE 69 -10.273 4.741 9.542 564 HE2 PHE 69 HE2 PHE 69 -13.803 6.624 8.089 565 HZ PHE 69 HZ PHE 69 -11.404 6.720 8.628 566 H ALA 70 HN ALA 70 -11.094 1.212 8.333 567 HA ALA 70 HA ALA 70 -10.104 0.530 10.918 568 1HB ALA 70 HB1 ALA 70 -9.220 -1.446 8.866 569 2HB ALA 70 HB2 ALA 70 -10.750 -1.705 9.704 570 3HB ALA 70 HB3 ALA 70 -9.250 -1.581 10.624 571 H GLN 71 HN GLN 71 -7.610 0.253 10.786 572 HA GLN 71 HA GLN 71 -6.303 1.386 8.510 573 1HB GLN 71 HB2 GLN 71 -5.469 3.421 9.625 574 2HB GLN 71 HB1 GLN 71 -7.212 3.448 9.423 575 1HG GLN 71 HG2 GLN 71 -6.373 2.333 11.973 576 2HG GLN 71 HG1 GLN 71 -5.829 3.991 11.725 577 1HE2 GLN 71 HE2 GLN 71 -7.378 4.040 13.663 578 2HE2 GLN 71 HE2 GLN 71 -9.016 4.451 13.297 579 H ALA 72 HN ALA 72 -3.927 1.827 9.038 580 HA ALA 72 HA ALA 72 -2.977 0.045 11.176 581 1HB ALA 72 HB1 ALA 72 -2.962 -0.854 8.695 582 2HB ALA 72 HB2 ALA 72 -1.631 -1.196 9.802 583 3HB ALA 72 HB3 ALA 72 -1.478 0.094 8.608 584 HA PRO 73 HA PRO 73 -0.835 4.042 11.758 585 1HB PRO 73 HB2 PRO 73 -0.064 3.485 14.321 586 2HB PRO 73 HB1 PRO 73 -1.643 4.154 13.898 587 1HG PRO 73 HG2 PRO 73 -0.881 1.323 14.492 588 2HG PRO 73 HG1 PRO 73 -2.311 2.232 15.018 589 1HD PRO 73 HD2 PRO 73 -2.410 0.467 12.987 590 2HD PRO 73 HD1 PRO 73 -3.392 1.946 12.994 591 H VAL 74 HN VAL 74 1.287 4.535 11.508 592 HA VAL 74 HA VAL 74 3.235 2.347 11.809 593 HB VAL 74 HB VAL 74 4.330 2.896 9.808 594 1HG1 VAL 74 HG1 VAL 74 2.231 1.719 9.431 595 2HG1 VAL 74 HG1 VAL 74 2.587 2.813 8.091 596 3HG1 VAL 74 HG1 VAL 74 1.384 3.262 9.295 597 1HG2 VAL 74 HG2 VAL 74 4.199 5.405 10.206 598 2HG2 VAL 74 HG2 VAL 74 2.629 5.343 9.405 599 3HG2 VAL 74 HG2 VAL 74 4.082 4.867 8.533 600 H GLU 75 HN GLU 75 5.312 2.895 12.495 601 HA GLU 75 HA GLU 75 5.452 5.155 14.233 602 1HB GLU 75 HB2 GLU 75 6.581 2.803 14.415 603 2HB GLU 75 HB1 GLU 75 7.852 3.541 13.454 604 1HG GLU 75 HG2 GLU 75 8.228 3.569 15.921 605 2HG GLU 75 HG1 GLU 75 8.316 5.142 15.131 606 H GLN 76 HN GLN 76 6.054 4.775 10.932 607 HA GLN 76 HA GLN 76 6.925 6.148 9.348 608 1HB GLN 76 HB2 GLN 76 5.857 7.849 11.177 609 2HB GLN 76 HB1 GLN 76 7.532 8.382 11.180 610 1HG GLN 76 HG2 GLN 76 5.635 8.287 8.854 611 2HG GLN 76 HG1 GLN 76 6.354 9.708 9.605 612 1HE2 GLN 76 HE2 GLN 76 6.966 6.895 7.616 613 2HE2 GLN 76 HE2 GLN 76 8.424 7.479 6.899 614 H TYR 77 HN TYR 77 8.613 4.338 10.356 615 HA TYR 77 HA TYR 77 11.162 5.580 9.932 616 1HB TYR 77 HB2 TYR 77 10.699 5.820 12.423 617 2HB TYR 77 HB1 TYR 77 10.844 4.074 12.525 618 HD1 TYR 77 HD1 TYR 77 13.083 3.284 11.030 619 HD2 TYR 77 HD2 TYR 77 12.568 6.904 13.208 620 HE1 TYR 77 HE1 TYR 77 15.520 3.496 11.241 621 HE2 TYR 77 HE2 TYR 77 15.008 7.123 13.426 622 HH TYR 77 HH TYR 77 17.040 5.234 13.369 623 HA PRO 78 HA PRO 78 11.778 0.836 9.866 624 1HB PRO 78 HB2 PRO 78 9.771 -0.821 10.577 625 2HB PRO 78 HB1 PRO 78 10.911 -0.160 11.757 626 1HG PRO 78 HG2 PRO 78 8.136 0.744 11.090 627 2HG PRO 78 HG1 PRO 78 8.898 0.553 12.680 628 1HD PRO 78 HD2 PRO 78 8.645 2.958 11.448 629 2HD PRO 78 HD1 PRO 78 9.985 2.571 12.542 630 H GLY 79 HN GLY 79 10.755 2.461 7.876 631 1HA GLY 79 HA2 GLY 79 8.561 1.302 6.490 632 2HA GLY 79 HA1 GLY 79 9.731 2.433 5.817 633 H ILE 80 HN ILE 80 8.586 -0.694 5.719 634 HA ILE 80 HA ILE 80 10.419 -1.513 3.718 635 HB ILE 80 HB ILE 80 11.046 -3.634 5.255 636 1HG1 ILE 80 HG1 ILE 80 11.820 -2.780 7.465 637 2HG1 ILE 80 HG1 ILE 80 10.933 -1.292 7.154 638 1HG2 ILE 80 HG2 ILE 80 13.207 -2.937 5.126 639 2HG2 ILE 80 HG2 ILE 80 12.812 -1.267 5.533 640 3HG2 ILE 80 HG2 ILE 80 12.457 -1.889 3.921 641 1HD1 ILE 80 HD1 ILE 80 8.872 -2.705 6.909 642 2HD1 ILE 80 HD1 ILE 80 9.567 -2.633 8.528 643 3HD1 ILE 80 HD1 ILE 80 9.828 -4.056 7.518 644 H ALA 81 HN ALA 81 10.213 -4.125 3.605 645 HA ALA 81 HA ALA 81 8.893 -5.917 3.257 646 1HB ALA 81 HB1 ALA 81 6.507 -5.650 4.449 647 2HB ALA 81 HB2 ALA 81 7.452 -4.529 5.413 648 3HB ALA 81 HB3 ALA 81 7.953 -6.215 5.270 649 H VAL 82 HN VAL 82 9.024 -4.904 1.143 650 HA VAL 82 HA VAL 82 6.373 -4.646 -0.025 651 HB VAL 82 HB VAL 82 8.499 -2.652 -0.787 652 1HG1 VAL 82 HG1 VAL 82 6.183 -3.479 -2.052 653 2HG1 VAL 82 HG1 VAL 82 7.113 -2.022 -2.402 654 3HG1 VAL 82 HG1 VAL 82 5.738 -1.946 -1.301 655 1HG2 VAL 82 HG2 VAL 82 7.930 -1.201 0.806 656 2HG2 VAL 82 HG2 VAL 82 7.149 -2.549 1.625 657 3HG2 VAL 82 HG2 VAL 82 6.209 -1.493 0.573 658 H GLU 83 HN GLU 83 6.334 -5.906 -1.787 659 HA GLU 83 HA GLU 83 8.566 -6.069 -3.586 660 1HB GLU 83 HB2 GLU 83 8.041 -8.221 -1.622 661 2HB GLU 83 HB1 GLU 83 8.296 -8.745 -3.280 662 1HG GLU 83 HG2 GLU 83 10.201 -6.986 -1.758 663 2HG GLU 83 HG1 GLU 83 10.339 -8.738 -1.875 664 H THR 84 HN THR 84 8.066 -7.880 -5.264 665 HA THR 84 HA THR 84 5.171 -7.966 -5.730 666 HB THR 84 HB THR 84 5.355 -7.349 -7.982 667 HG1 THR 84 HG1 THR 84 7.803 -8.435 -7.837 668 1HG2 THR 84 HG2 THR 84 7.204 -5.665 -6.357 669 2HG2 THR 84 HG2 THR 84 5.570 -5.313 -6.918 670 3HG2 THR 84 HG2 THR 84 6.911 -5.324 -8.062 671 H VAL 85 HN VAL 85 5.434 -9.315 -8.191 672 HA VAL 85 HA VAL 85 5.663 -12.000 -7.277 673 HB VAL 85 HB VAL 85 5.198 -12.502 -9.730 674 1HG1 VAL 85 HG1 VAL 85 3.547 -12.039 -7.738 675 2HG1 VAL 85 HG1 VAL 85 2.944 -12.199 -9.389 676 3HG1 VAL 85 HG1 VAL 85 3.157 -10.598 -8.677 677 1HG2 VAL 85 HG2 VAL 85 6.109 -10.004 -10.203 678 2HG2 VAL 85 HG2 VAL 85 4.373 -9.685 -10.105 679 3HG2 VAL 85 HG2 VAL 85 4.989 -10.845 -11.270 680 H THR 86 HN THR 86 7.623 -12.859 -6.915 681 HA THR 86 HA THR 86 10.022 -12.069 -8.126 682 HB THR 86 HB THR 86 10.923 -14.244 -7.218 683 HG1 THR 86 HG1 THR 86 8.251 -14.747 -6.991 684 1HG2 THR 86 HG2 THR 86 10.982 -13.559 -5.033 685 2HG2 THR 86 HG2 THR 86 9.321 -12.968 -5.059 686 3HG2 THR 86 HG2 THR 86 10.594 -12.056 -5.870 687 H ASP 87 HN ASP 87 7.717 -14.607 -9.031 688 HA ASP 87 HA ASP 87 9.465 -15.384 -11.250 689 1HB ASP 87 HB2 ASP 87 7.698 -16.836 -9.562 690 2HB ASP 87 HB1 ASP 87 7.052 -16.915 -11.197 691 H SER 88 HN SER 88 7.267 -13.061 -10.792 692 HA SER 88 HA SER 88 6.083 -11.747 -12.226 693 1HB SER 88 HB2 SER 88 6.962 -13.620 -14.426 694 2HB SER 88 HB1 SER 88 6.335 -11.984 -14.616 695 HG SER 88 HG SER 88 8.189 -11.168 -13.794 696 H SER 89 HN SER 89 3.940 -11.833 -11.966 697 HA SER 89 HA SER 89 2.488 -14.077 -13.146 698 1HB SER 89 HB2 SER 89 1.665 -12.983 -10.462 699 2HB SER 89 HB1 SER 89 1.173 -14.487 -11.235 700 HG SER 89 HG SER 89 2.849 -14.546 -9.486 701 H ARG 90 HN ARG 90 1.228 -11.399 -11.148 702 HA ARG 90 HA ARG 90 0.613 -9.598 -13.145 703 1HB ARG 90 HB2 ARG 90 -0.877 -11.882 -13.583 704 2HB ARG 90 HB1 ARG 90 -2.003 -10.828 -12.740 705 1HG ARG 90 HG2 ARG 90 -2.393 -10.239 -14.917 706 2HG ARG 90 HG1 ARG 90 -1.178 -9.046 -14.458 707 1HD ARG 90 HD2 ARG 90 0.490 -10.856 -15.339 708 2HD ARG 90 HD1 ARG 90 -0.917 -11.444 -16.216 709 HE ARG 90 HE ARG 90 0.567 -9.010 -16.697 710 1HH1 ARG 90 HH1 ARG 90 -2.419 -10.735 -17.246 711 2HH1 ARG 90 HH1 ARG 90 -2.800 -9.863 -18.692 712 1HH2 ARG 90 HH2 ARG 90 0.072 -7.873 -18.601 713 2HH2 ARG 90 HH2 ARG 90 -1.386 -8.238 -19.463 714 H TYR 91 HN TYR 91 1.246 -9.515 -10.367 715 HA TYR 91 HA TYR 91 -0.628 -7.544 -9.529 716 1HB TYR 91 HB2 TYR 91 -1.893 -8.612 -7.959 717 2HB TYR 91 HB1 TYR 91 -1.542 -10.021 -8.952 718 HD1 TYR 91 HD1 TYR 91 -1.360 -8.676 -5.686 719 HD2 TYR 91 HD2 TYR 91 0.601 -11.326 -8.357 720 HE1 TYR 91 HE1 TYR 91 -0.237 -9.758 -3.780 721 HE2 TYR 91 HE2 TYR 91 1.724 -12.403 -6.471 722 HH TYR 91 HH TYR 91 1.716 -12.646 -4.201 723 H PHE 92 HN PHE 92 -0.117 -7.279 -6.864 724 HA PHE 92 HA PHE 92 2.727 -7.612 -6.373 725 1HB PHE 92 HB2 PHE 92 2.985 -5.156 -5.871 726 2HB PHE 92 HB1 PHE 92 2.809 -5.553 -7.577 727 HD1 PHE 92 HD1 PHE 92 1.450 -3.745 -4.778 728 HD2 PHE 92 HD2 PHE 92 0.611 -5.182 -8.692 729 HE1 PHE 92 HE1 PHE 92 -0.425 -2.160 -4.957 730 HE2 PHE 92 HE2 PHE 92 -1.264 -3.609 -8.873 731 HZ PHE 92 HZ PHE 92 -1.787 -2.091 -7.005 732 H VAL 93 HN VAL 93 3.356 -6.875 -4.185 733 HA VAL 93 HA VAL 93 1.088 -6.801 -2.311 734 HB VAL 93 HB VAL 93 2.696 -8.063 -0.711 735 1HG1 VAL 93 HG1 VAL 93 1.829 -10.119 -2.514 736 2HG1 VAL 93 HG1 VAL 93 0.608 -8.854 -2.385 737 3HG1 VAL 93 HG1 VAL 93 1.191 -9.666 -0.934 738 1HG2 VAL 93 HG2 VAL 93 4.647 -8.012 -2.187 739 2HG2 VAL 93 HG2 VAL 93 3.773 -8.982 -3.374 740 3HG2 VAL 93 HG2 VAL 93 4.170 -9.666 -1.798 741 H ILE 94 HN ILE 94 1.447 -5.730 -0.333 742 HA ILE 94 HA ILE 94 3.934 -4.231 -0.037 743 HB ILE 94 HB ILE 94 2.484 -2.712 -1.287 744 1HG1 ILE 94 HG1 ILE 94 3.981 -2.020 0.761 745 2HG1 ILE 94 HG1 ILE 94 2.922 -0.839 0.000 746 1HG2 ILE 94 HG2 ILE 94 0.488 -2.104 0.653 747 2HG2 ILE 94 HG2 ILE 94 0.450 -3.836 0.320 748 3HG2 ILE 94 HG2 ILE 94 0.306 -2.679 -1.000 749 1HD1 ILE 94 HD1 ILE 94 1.852 -2.386 2.293 750 2HD1 ILE 94 HD1 ILE 94 1.535 -0.726 1.798 751 3HD1 ILE 94 HD1 ILE 94 3.045 -1.129 2.618 752 H ARG 95 HN ARG 95 4.365 -3.631 2.090 753 HA ARG 95 HA ARG 95 2.406 -4.343 4.129 754 1HB ARG 95 HB2 ARG 95 5.211 -5.302 4.466 755 2HB ARG 95 HB1 ARG 95 3.773 -5.846 5.284 756 1HG ARG 95 HG2 ARG 95 3.629 -7.542 3.878 757 2HG ARG 95 HG1 ARG 95 3.427 -6.424 2.540 758 1HD ARG 95 HD2 ARG 95 5.247 -7.796 1.974 759 2HD ARG 95 HD1 ARG 95 5.945 -6.273 2.482 760 HE ARG 95 HE ARG 95 6.149 -7.525 4.746 761 1HH1 ARG 95 HH1 ARG 95 6.656 -8.862 1.556 762 2HH1 ARG 95 HH1 ARG 95 7.700 -10.122 2.117 763 1HH2 ARG 95 HH2 ARG 95 7.517 -9.177 5.480 764 2HH2 ARG 95 HH2 ARG 95 8.194 -10.298 4.347 765 H ILE 96 HN ILE 96 3.375 -3.731 6.383 766 HA ILE 96 HA ILE 96 5.148 -1.413 6.203 767 HB ILE 96 HB ILE 96 2.559 -1.189 7.730 768 1HG1 ILE 96 HG1 ILE 96 2.957 0.030 5.006 769 2HG1 ILE 96 HG1 ILE 96 2.249 -1.570 5.188 770 1HG2 ILE 96 HG2 ILE 96 2.994 1.171 7.641 771 2HG2 ILE 96 HG2 ILE 96 4.400 0.920 6.615 772 3HG2 ILE 96 HG2 ILE 96 4.410 0.350 8.283 773 1HD1 ILE 96 HD1 ILE 96 0.965 0.913 5.318 774 2HD1 ILE 96 HD1 ILE 96 0.939 0.249 6.952 775 3HD1 ILE 96 HD1 ILE 96 0.276 -0.684 5.611 776 H GLN 97 HN GLN 97 5.632 -0.580 8.499 777 HA GLN 97 HA GLN 97 5.429 -2.614 10.561 778 1HB GLN 97 HB2 GLN 97 7.473 -3.229 9.387 779 2HB GLN 97 HB1 GLN 97 8.094 -1.598 9.577 780 1HG GLN 97 HG2 GLN 97 8.139 -1.897 12.000 781 2HG GLN 97 HG1 GLN 97 7.523 -3.539 11.804 782 1HE2 GLN 97 HE2 GLN 97 8.911 -4.634 9.865 783 2HE2 GLN 97 HE2 GLN 97 10.608 -4.626 10.188 784 H ASP 98 HN ASP 98 6.088 -1.845 12.712 785 HA ASP 98 HA ASP 98 6.511 1.011 13.037 786 1HB ASP 98 HB2 ASP 98 4.073 0.859 12.784 787 2HB ASP 98 HB1 ASP 98 4.005 -0.321 14.086 788 H GLY 99 HN GLY 99 7.829 1.349 14.710 789 1HA GLY 99 HA2 GLY 99 8.687 1.155 16.861 790 2HA GLY 99 HA1 GLY 99 7.603 -0.198 17.143 791 H THR 100 HN THR 100 8.838 -1.187 14.415 792 HA THR 100 HA THR 100 10.625 -2.424 13.708 793 HB THR 100 HB THR 100 11.990 -2.126 16.367 794 HG1 THR 100 HG1 THR 100 12.998 -0.259 15.454 795 1HG2 THR 100 HG2 THR 100 13.414 -3.439 15.231 796 2HG2 THR 100 HG2 THR 100 13.910 -1.914 14.495 797 3HG2 THR 100 HG2 THR 100 12.765 -2.965 13.662 798 H GLY 101 HN GLY 101 8.342 -3.508 14.609 799 1HA GLY 101 HA2 GLY 101 9.139 -6.138 15.306 800 2HA GLY 101 HA1 GLY 101 8.444 -5.328 16.700 801 H ARG 102 HN ARG 102 6.588 -3.776 14.912 802 HA ARG 102 HA ARG 102 4.671 -5.968 14.449 803 1HB ARG 102 HB2 ARG 102 4.237 -4.034 16.170 804 2HB ARG 102 HB1 ARG 102 3.827 -3.103 14.734 805 1HG ARG 102 HG2 ARG 102 2.525 -5.660 15.645 806 2HG ARG 102 HG1 ARG 102 1.836 -4.037 15.722 807 1HD ARG 102 HD2 ARG 102 2.028 -3.922 13.236 808 2HD ARG 102 HD1 ARG 102 2.520 -5.615 13.247 809 HE ARG 102 HE ARG 102 0.181 -5.667 14.588 810 1HH1 ARG 102 HH1 ARG 102 1.110 -4.298 11.514 811 2HH1 ARG 102 HH1 ARG 102 -0.458 -4.504 10.809 812 1HH2 ARG 102 HH2 ARG 102 -1.877 -5.958 13.647 813 2HH2 ARG 102 HH2 ARG 102 -2.149 -5.454 12.012 814 H SER 103 HN SER 103 4.356 -6.456 12.381 815 HA SER 103 HA SER 103 4.097 -4.308 10.416 816 1HB SER 103 HB2 SER 103 5.551 -6.355 9.103 817 2HB SER 103 HB1 SER 103 6.098 -4.721 9.481 818 HG SER 103 HG SER 103 7.394 -6.508 10.343 819 H ALA 104 HN ALA 104 2.580 -4.707 8.866 820 HA ALA 104 HA ALA 104 1.272 -7.352 8.936 821 1HB ALA 104 HB1 ALA 104 -0.441 -5.542 7.665 822 2HB ALA 104 HB2 ALA 104 0.240 -4.667 9.035 823 3HB ALA 104 HB3 ALA 104 -0.594 -6.199 9.295 824 H PHE 105 HN PHE 105 1.011 -8.511 7.075 825 HA PHE 105 HA PHE 105 2.127 -7.326 4.627 826 1HB PHE 105 HB2 PHE 105 3.374 -9.292 5.352 827 2HB PHE 105 HB1 PHE 105 1.894 -10.238 5.434 828 HD1 PHE 105 HD1 PHE 105 0.571 -10.462 3.180 829 HD2 PHE 105 HD2 PHE 105 4.670 -9.392 3.450 830 HE1 PHE 105 HE1 PHE 105 0.909 -11.161 0.840 831 HE2 PHE 105 HE2 PHE 105 5.017 -10.081 1.117 832 HZ PHE 105 HZ PHE 105 3.132 -10.969 -0.190 833 H ILE 106 HN ILE 106 0.855 -6.998 2.934 834 HA ILE 106 HA ILE 106 -1.575 -8.569 2.588 835 HB ILE 106 HB ILE 106 -2.925 -6.527 2.205 836 1HG1 ILE 106 HG1 ILE 106 -1.043 -4.818 3.713 837 2HG1 ILE 106 HG1 ILE 106 -0.541 -5.221 2.077 838 1HG2 ILE 106 HG2 ILE 106 -3.349 -6.045 4.512 839 2HG2 ILE 106 HG2 ILE 106 -1.734 -6.585 4.970 840 3HG2 ILE 106 HG2 ILE 106 -2.917 -7.750 4.374 841 1HD1 ILE 106 HD1 ILE 106 -3.122 -3.902 2.864 842 2HD1 ILE 106 HD1 ILE 106 -2.650 -4.346 1.226 843 3HD1 ILE 106 HD1 ILE 106 -1.729 -3.128 2.107 844 H GLY 107 HN GLY 107 -2.473 -8.292 0.418 845 1HA GLY 107 HA2 GLY 107 -0.359 -7.512 -1.475 846 2HA GLY 107 HA1 GLY 107 -1.607 -8.705 -1.800 847 H ILE 108 HN ILE 108 -0.811 -6.248 -3.274 848 HA ILE 108 HA ILE 108 -3.493 -5.046 -3.357 849 HB ILE 108 HB ILE 108 -0.955 -3.480 -3.749 850 1HG1 ILE 108 HG1 ILE 108 -1.292 -4.220 -1.377 851 2HG1 ILE 108 HG1 ILE 108 -1.297 -2.474 -1.604 852 1HG2 ILE 108 HG2 ILE 108 -2.426 -2.201 -4.887 853 2HG2 ILE 108 HG2 ILE 108 -2.889 -1.667 -3.272 854 3HG2 ILE 108 HG2 ILE 108 -3.822 -2.922 -4.084 855 1HD1 ILE 108 HD1 ILE 108 -3.017 -3.159 -0.056 856 2HD1 ILE 108 HD1 ILE 108 -3.718 -4.212 -1.284 857 3HD1 ILE 108 HD1 ILE 108 -3.726 -2.464 -1.514 858 H GLY 109 HN GLY 109 -4.359 -4.924 -5.347 859 1HA GLY 109 HA2 GLY 109 -2.792 -4.655 -7.713 860 2HA GLY 109 HA1 GLY 109 -3.372 -6.298 -7.511 861 H PHE 110 HN PHE 110 -4.265 -5.349 -9.696 862 HA PHE 110 HA PHE 110 -7.076 -4.799 -9.204 863 1HB PHE 110 HB2 PHE 110 -5.310 -2.710 -9.889 864 2HB PHE 110 HB1 PHE 110 -6.186 -3.096 -11.366 865 HD1 PHE 110 HD1 PHE 110 -7.125 -2.924 -7.754 866 HD2 PHE 110 HD2 PHE 110 -7.911 -1.631 -11.729 867 HE1 PHE 110 HE1 PHE 110 -9.055 -1.636 -6.947 868 HE2 PHE 110 HE2 PHE 110 -9.840 -0.333 -10.924 869 HZ PHE 110 HZ PHE 110 -10.416 -0.336 -8.530 870 H THR 111 HN THR 111 -8.305 -4.861 -11.334 871 HA THR 111 HA THR 111 -7.743 -7.272 -12.656 872 HB THR 111 HB THR 111 -9.997 -6.613 -12.610 873 HG1 THR 111 HG1 THR 111 -9.241 -5.968 -15.255 874 1HG2 THR 111 HG2 THR 111 -9.123 -4.003 -12.779 875 2HG2 THR 111 HG2 THR 111 -10.797 -4.554 -12.773 876 3HG2 THR 111 HG2 THR 111 -9.970 -4.268 -14.303 877 H ASP 112 HN ASP 112 -6.246 -4.293 -13.045 878 HA ASP 112 HA ASP 112 -5.029 -5.186 -15.533 879 1HB ASP 112 HB2 ASP 112 -6.341 -2.484 -15.184 880 2HB ASP 112 HB1 ASP 112 -5.242 -2.883 -16.501 881 H ARG 113 HN ARG 113 -2.957 -4.293 -15.921 882 HA ARG 113 HA ARG 113 -1.554 -3.566 -13.515 883 1HB ARG 113 HB2 ARG 113 -0.865 -4.514 -16.192 884 2HB ARG 113 HB1 ARG 113 0.248 -3.291 -15.598 885 1HG ARG 113 HG2 ARG 113 1.253 -4.763 -14.291 886 2HG ARG 113 HG1 ARG 113 -0.277 -5.198 -13.527 887 1HD ARG 113 HD2 ARG 113 0.106 -7.216 -14.440 888 2HD ARG 113 HD1 ARG 113 -0.508 -6.467 -15.913 889 HE ARG 113 HE ARG 113 1.558 -6.784 -16.803 890 1HH1 ARG 113 HH1 ARG 113 1.924 -6.489 -13.343 891 2HH1 ARG 113 HH1 ARG 113 3.641 -6.704 -13.381 892 1HH2 ARG 113 HH2 ARG 113 3.818 -7.071 -16.852 893 2HH2 ARG 113 HH2 ARG 113 4.716 -7.037 -15.372 894 H GLY 114 HN GLY 114 -2.589 -1.959 -16.464 895 1HA GLY 114 HA2 GLY 114 -1.089 0.367 -16.359 896 2HA GLY 114 HA1 GLY 114 -2.721 0.270 -17.000 897 H ASP 115 HN ASP 115 -4.281 -0.174 -14.857 898 HA ASP 115 HA ASP 115 -4.357 2.370 -13.603 899 1HB ASP 115 HB2 ASP 115 -5.987 -0.091 -13.565 900 2HB ASP 115 HB1 ASP 115 -6.061 0.875 -12.095 901 H ALA 116 HN ALA 116 -3.642 -0.887 -12.355 902 HA ALA 116 HA ALA 116 -3.174 -0.222 -9.709 903 1HB ALA 116 HB1 ALA 116 -1.479 -2.286 -11.043 904 2HB ALA 116 HB2 ALA 116 -3.223 -2.522 -10.927 905 3HB ALA 116 HB3 ALA 116 -2.264 -2.317 -9.464 906 H PHE 117 HN PHE 117 -1.265 0.469 -12.497 907 HA PHE 117 HA PHE 117 1.215 0.859 -11.120 908 1HB PHE 117 HB2 PHE 117 1.453 0.360 -13.406 909 2HB PHE 117 HB1 PHE 117 0.207 1.507 -13.881 910 HD1 PHE 117 HD1 PHE 117 0.704 3.861 -14.113 911 HD2 PHE 117 HD2 PHE 117 3.714 1.092 -12.934 912 HE1 PHE 117 HE1 PHE 117 2.433 5.545 -14.587 913 HE2 PHE 117 HE2 PHE 117 5.449 2.773 -13.407 914 HZ PHE 117 HZ PHE 117 4.809 5.002 -14.234 915 H ASP 118 HN ASP 118 -1.151 3.094 -12.587 916 HA ASP 118 HA ASP 118 -0.012 5.483 -11.823 917 1HB ASP 118 HB2 ASP 118 -2.971 4.864 -11.943 918 2HB ASP 118 HB1 ASP 118 -2.247 6.468 -12.009 919 H PHE 119 HN PHE 119 -2.164 3.395 -9.936 920 HA PHE 119 HA PHE 119 -2.482 5.112 -7.734 921 1HB PHE 119 HB2 PHE 119 -3.982 3.422 -7.505 922 2HB PHE 119 HB1 PHE 119 -2.942 2.258 -8.317 923 HD1 PHE 119 HD1 PHE 119 -1.271 0.999 -7.056 924 HD2 PHE 119 HD2 PHE 119 -3.979 3.648 -5.121 925 HE1 PHE 119 HE1 PHE 119 -0.738 -0.043 -4.900 926 HE2 PHE 119 HE2 PHE 119 -3.453 2.606 -2.953 927 HZ PHE 119 HZ PHE 119 -1.829 0.758 -2.840 928 H ASN 120 HN ASN 120 -0.266 2.344 -8.131 929 HA ASN 120 HA ASN 120 1.155 2.637 -5.771 930 1HB ASN 120 HB2 ASN 120 1.529 1.263 -8.323 931 2HB ASN 120 HB1 ASN 120 3.045 1.706 -7.546 932 1HD2 ASN 120 HD2 ASN 120 1.809 -0.901 -8.010 933 2HD2 ASN 120 HD2 ASN 120 1.722 -1.645 -6.460 934 H VAL 121 HN VAL 121 2.091 3.853 -8.997 935 HA VAL 121 HA VAL 121 4.388 5.194 -8.173 936 HB VAL 121 HB VAL 121 4.152 6.548 -10.244 937 1HG1 VAL 121 HG1 VAL 121 4.752 3.908 -9.967 938 2HG1 VAL 121 HG1 VAL 121 4.953 4.834 -11.454 939 3HG1 VAL 121 HG1 VAL 121 3.505 3.858 -11.213 940 1HG2 VAL 121 HG2 VAL 121 2.001 5.156 -11.470 941 2HG2 VAL 121 HG2 VAL 121 2.159 6.887 -11.165 942 3HG2 VAL 121 HG2 VAL 121 1.419 5.842 -9.955 943 H SER 122 HN SER 122 1.056 6.081 -7.823 944 HA SER 122 HA SER 122 1.428 8.877 -7.514 945 1HB SER 122 HB2 SER 122 -0.767 7.178 -7.630 946 2HB SER 122 HB1 SER 122 -0.810 7.805 -5.985 947 HG SER 122 HG SER 122 -1.761 9.420 -6.966 948 H LEU 123 HN LEU 123 1.040 6.254 -5.114 949 HA LEU 123 HA LEU 123 1.317 7.835 -2.835 950 1HB LEU 123 HB2 LEU 123 1.700 5.845 -1.615 951 2HB LEU 123 HB1 LEU 123 0.595 5.429 -2.911 952 HG LEU 123 HG LEU 123 2.894 4.771 -4.108 953 1HD1 LEU 123 HD1 LEU 123 4.102 3.480 -2.148 954 2HD1 LEU 123 HD1 LEU 123 3.483 4.837 -1.207 955 3HD1 LEU 123 HD1 LEU 123 4.540 5.131 -2.588 956 1HD2 LEU 123 HD2 LEU 123 2.102 2.657 -2.274 957 2HD2 LEU 123 HD2 LEU 123 2.013 2.721 -4.033 958 3HD2 LEU 123 HD2 LEU 123 0.729 3.437 -3.059 959 H GLN 124 HN GLN 124 3.756 6.406 -4.928 960 HA GLN 124 HA GLN 124 5.980 6.944 -3.256 961 1HB GLN 124 HB2 GLN 124 5.625 6.307 -6.161 962 2HB GLN 124 HB1 GLN 124 7.197 6.840 -5.577 963 1HG GLN 124 HG2 GLN 124 6.742 4.954 -3.772 964 2HG GLN 124 HG1 GLN 124 5.736 4.316 -5.071 965 1HE2 GLN 124 HE2 GLN 124 7.812 2.835 -4.255 966 2HE2 GLN 124 HE2 GLN 124 9.078 2.845 -5.431 967 H ASP 125 HN ASP 125 4.661 8.669 -6.077 968 HA ASP 125 HA ASP 125 6.384 10.744 -6.355 969 1HB ASP 125 HB2 ASP 125 4.146 10.268 -7.567 970 2HB ASP 125 HB1 ASP 125 3.429 11.298 -6.332 971 H HIS 126 HN HIS 126 3.872 10.460 -3.889 972 HA HIS 126 HA HIS 126 4.366 13.051 -2.773 973 1HB HIS 126 HB2 HIS 126 3.036 10.795 -1.295 974 2HB HIS 126 HB1 HIS 126 2.740 12.523 -1.168 975 HD2 HIS 126 HD2 HIS 126 1.735 13.444 -3.954 976 HE1 HIS 126 HE1 HIS 126 -0.648 9.935 -4.106 977 HE2 HIS 126 HE2 HIS 126 -0.195 12.190 -5.136 978 H PHE 127 HN PHE 127 5.382 9.754 -2.025 979 HA PHE 127 HA PHE 127 6.650 10.389 0.425 980 1HB PHE 127 HB2 PHE 127 5.911 8.098 -0.336 981 2HB PHE 127 HB1 PHE 127 7.325 8.063 -1.379 982 HD1 PHE 127 HD1 PHE 127 6.149 8.042 2.095 983 HD2 PHE 127 HD2 PHE 127 9.517 7.734 -0.488 984 HE1 PHE 127 HE1 PHE 127 7.501 7.191 3.967 985 HE2 PHE 127 HE2 PHE 127 10.875 6.882 1.378 986 HZ PHE 127 HZ PHE 127 9.867 6.609 3.609 987 H LYS 128 HN LYS 128 8.493 9.063 -2.313 988 HA LYS 128 HA LYS 128 10.733 10.738 -1.585 989 1HB LYS 128 HB2 LYS 128 11.979 9.472 -3.253 990 2HB LYS 128 HB1 LYS 128 11.095 8.382 -2.193 991 1HG LYS 128 HG2 LYS 128 9.414 8.030 -3.888 992 2HG LYS 128 HG1 LYS 128 10.183 9.223 -4.937 993 1HD LYS 128 HD2 LYS 128 12.267 7.571 -4.462 994 2HD LYS 128 HD1 LYS 128 10.927 6.425 -4.380 995 1HE LYS 128 HE2 LYS 128 10.314 7.919 -6.601 996 2HE LYS 128 HE1 LYS 128 12.072 7.817 -6.675 997 1HZ LYS 128 HZ1 LYS 128 10.079 5.682 -6.872 998 2HZ LYS 128 HZ2 LYS 128 11.580 5.309 -6.187 999 3HZ LYS 128 HZ3 LYS 128 11.498 5.918 -7.762 1000 H TRP 129 HN TRP 129 11.791 12.201 -2.975 1001 HA TRP 129 HA TRP 129 9.973 13.550 -4.809 1002 1HB TRP 129 HB2 TRP 129 12.741 14.466 -4.032 1003 2HB TRP 129 HB1 TRP 129 11.410 15.437 -4.652 1004 HD1 TRP 129 HD1 TRP 129 9.089 14.935 -2.765 1005 HE1 TRP 129 HE1 TRP 129 9.195 15.487 -0.253 1006 HE3 TRP 129 HE3 TRP 129 14.168 14.970 -2.149 1007 HZ2 TRP 129 HZ2 TRP 129 11.166 15.884 1.726 1008 HZ3 TRP 129 HZ3 TRP 129 15.080 15.447 0.087 1009 HH2 TRP 129 HH2 TRP 129 13.608 15.895 1.983 1010 H VAL 130 HN VAL 130 10.045 13.254 -6.926 1011 HA VAL 130 HA VAL 130 12.579 12.783 -8.275 1012 HB VAL 130 HB VAL 130 10.281 10.902 -8.813 1013 1HG1 VAL 130 HG1 VAL 130 11.558 9.988 -10.434 1014 2HG1 VAL 130 HG1 VAL 130 13.058 10.240 -9.542 1015 3HG1 VAL 130 HG1 VAL 130 12.325 11.577 -10.427 1016 1HG2 VAL 130 HG2 VAL 130 12.174 9.287 -7.796 1017 2HG2 VAL 130 HG2 VAL 130 10.850 9.956 -6.843 1018 3HG2 VAL 130 HG2 VAL 130 12.435 10.724 -6.809 1019 H LYS 131 HN LYS 131 9.084 12.578 -8.968 1020 HA LYS 131 HA LYS 131 9.471 14.053 -11.436 1021 1HB LYS 131 HB2 LYS 131 7.598 12.146 -10.465 1022 2HB LYS 131 HB1 LYS 131 6.707 13.605 -10.873 1023 1HG LYS 131 HG2 LYS 131 7.002 13.319 -13.072 1024 2HG LYS 131 HG1 LYS 131 8.677 12.797 -12.882 1025 1HD LYS 131 HD2 LYS 131 8.032 10.701 -13.247 1026 2HD LYS 131 HD1 LYS 131 7.064 10.765 -11.774 1027 1HE LYS 131 HE2 LYS 131 5.445 10.231 -13.300 1028 2HE LYS 131 HE1 LYS 131 5.350 11.991 -13.347 1029 1HZ LYS 131 HZ1 LYS 131 6.236 12.077 -15.412 1030 2HZ LYS 131 HZ2 LYS 131 5.563 10.530 -15.523 1031 3HZ LYS 131 HZ3 LYS 131 7.212 10.712 -15.193 1032 H GLN 132 HN GLN 132 8.141 14.555 -8.242 1033 HA GLN 132 HA GLN 132 8.076 17.406 -8.683 1034 1HB GLN 132 HB2 GLN 132 5.588 15.769 -8.435 1035 2HB GLN 132 HB1 GLN 132 5.623 17.363 -7.697 1036 1HG GLN 132 HG2 GLN 132 6.646 17.665 -10.298 1037 2HG GLN 132 HG1 GLN 132 5.219 16.639 -10.430 1038 1HE2 GLN 132 HE2 GLN 132 3.223 17.443 -9.547 1039 2HE2 GLN 132 HE2 GLN 132 2.937 19.145 -9.479 1040 H GLU 133 HN GLU 133 6.756 18.286 -6.497 1041 HA GLU 133 HA GLU 133 8.487 17.383 -4.357 1042 1HB GLU 133 HB2 GLU 133 7.539 19.284 -3.099 1043 2HB GLU 133 HB1 GLU 133 8.184 19.773 -4.660 1044 1HG GLU 133 HG2 GLU 133 6.251 20.721 -5.144 1045 2HG GLU 133 HG1 GLU 133 5.467 19.145 -5.059 Start of MODEL 2 1 1H MET 1 HT1 MET 1 22.480 19.408 -0.350 2 2H MET 1 HT2 MET 1 21.655 18.662 0.957 3 3H MET 1 HT3 MET 1 23.280 19.179 1.148 4 HA MET 1 HA MET 1 22.587 21.076 1.887 5 1HB MET 1 HB2 MET 1 22.766 21.525 -0.624 6 2HB MET 1 HB1 MET 1 21.012 21.431 -0.662 7 1HG MET 1 HG2 MET 1 20.809 23.512 0.067 8 2HG MET 1 HG1 MET 1 21.892 23.209 1.424 9 1HE MET 1 HE1 MET 1 24.980 22.784 -0.185 10 2HE MET 1 HE2 MET 1 24.245 23.168 1.371 11 3HE MET 1 HE3 MET 1 25.209 24.381 0.527 12 H ALA 2 HN ALA 2 21.309 20.445 3.602 13 HA ALA 2 HA ALA 2 18.642 21.280 3.641 14 1HB ALA 2 HB1 ALA 2 17.636 18.936 4.037 15 2HB ALA 2 HB2 ALA 2 19.043 18.353 3.148 16 3HB ALA 2 HB3 ALA 2 17.915 19.469 2.379 17 H ALA 3 HN ALA 3 17.509 20.600 5.703 18 HA ALA 3 HA ALA 3 19.145 19.481 7.791 19 1HB ALA 3 HB1 ALA 3 19.958 21.846 7.569 20 2HB ALA 3 HB2 ALA 3 19.359 21.405 9.168 21 3HB ALA 3 HB3 ALA 3 18.356 22.370 8.086 22 H GLU 4 HN GLU 4 16.440 21.800 7.581 23 HA GLU 4 HA GLU 4 14.626 19.786 8.645 24 1HB GLU 4 HB2 GLU 4 15.654 20.974 10.606 25 2HB GLU 4 HB1 GLU 4 14.932 22.463 10.011 26 1HG GLU 4 HG2 GLU 4 13.567 21.544 11.758 27 2HG GLU 4 HG1 GLU 4 12.705 21.440 10.224 28 H LEU 5 HN LEU 5 12.505 20.107 8.093 29 HA LEU 5 HA LEU 5 11.642 22.611 6.919 30 1HB LEU 5 HB2 LEU 5 12.795 20.931 5.191 31 2HB LEU 5 HB1 LEU 5 11.188 20.233 5.195 32 HG LEU 5 HG LEU 5 10.429 22.704 4.733 33 1HD1 LEU 5 HD1 LEU 5 13.349 22.728 4.144 34 2HD1 LEU 5 HD1 LEU 5 12.334 23.971 4.876 35 3HD1 LEU 5 HD1 LEU 5 12.244 23.670 3.141 36 1HD2 LEU 5 HD2 LEU 5 9.853 21.730 2.827 37 2HD2 LEU 5 HD2 LEU 5 11.014 20.440 3.133 38 3HD2 LEU 5 HD2 LEU 5 11.508 21.875 2.236 39 H GLU 6 HN GLU 6 9.287 22.040 5.869 40 HA GLU 6 HA GLU 6 7.790 21.008 8.126 41 1HB GLU 6 HB2 GLU 6 5.809 21.843 6.889 42 2HB GLU 6 HB1 GLU 6 7.022 23.086 7.158 43 1HG GLU 6 HG2 GLU 6 7.351 23.405 4.973 44 2HG GLU 6 HG1 GLU 6 7.325 21.680 4.615 45 H TYR 7 HN TYR 7 7.642 18.852 8.209 46 HA TYR 7 HA TYR 7 7.560 17.228 5.846 47 1HB TYR 7 HB2 TYR 7 7.888 16.815 8.693 48 2HB TYR 7 HB1 TYR 7 6.748 15.654 8.020 49 HD1 TYR 7 HD1 TYR 7 7.687 14.863 5.506 50 HD2 TYR 7 HD2 TYR 7 10.000 15.948 8.907 51 HE1 TYR 7 HE1 TYR 7 9.560 13.518 4.652 52 HE2 TYR 7 HE2 TYR 7 11.879 14.607 8.064 53 HH TYR 7 HH TYR 7 12.473 13.788 5.324 54 H GLU 8 HN GLU 8 5.761 17.659 4.655 55 HA GLU 8 HA GLU 8 3.155 17.878 5.826 56 1HB GLU 8 HB2 GLU 8 4.204 17.785 3.015 57 2HB GLU 8 HB1 GLU 8 2.478 17.680 3.328 58 1HG GLU 8 HG2 GLU 8 3.724 19.876 4.755 59 2HG GLU 8 HG1 GLU 8 3.956 19.984 3.011 60 H SER 9 HN SER 9 1.338 16.491 5.076 61 HA SER 9 HA SER 9 1.980 13.742 5.593 62 1HB SER 9 HB2 SER 9 -0.311 13.409 5.859 63 2HB SER 9 HB1 SER 9 -0.132 15.102 6.312 64 HG SER 9 HG SER 9 -1.123 14.013 3.900 65 H VAL 10 HN VAL 10 1.708 11.981 4.199 66 HA VAL 10 HA VAL 10 2.518 12.305 1.574 67 HB VAL 10 HB VAL 10 0.789 9.983 2.400 68 1HG1 VAL 10 HG1 VAL 10 3.262 9.868 0.724 69 2HG1 VAL 10 HG1 VAL 10 1.739 10.407 0.026 70 3HG1 VAL 10 HG1 VAL 10 1.862 8.798 0.731 71 1HG2 VAL 10 HG2 VAL 10 3.546 10.683 3.312 72 2HG2 VAL 10 HG2 VAL 10 3.129 8.991 3.042 73 3HG2 VAL 10 HG2 VAL 10 2.216 9.948 4.209 74 H LEU 11 HN LEU 11 -0.817 11.847 2.780 75 HA LEU 11 HA LEU 11 -2.809 12.475 1.922 76 1HB LEU 11 HB2 LEU 11 -2.915 14.385 0.715 77 2HB LEU 11 HB1 LEU 11 -1.227 14.478 1.169 78 HG LEU 11 HG LEU 11 -1.269 13.046 -1.252 79 1HD1 LEU 11 HD1 LEU 11 -2.717 14.027 -2.688 80 2HD1 LEU 11 HD1 LEU 11 -2.695 15.570 -1.834 81 3HD1 LEU 11 HD1 LEU 11 -3.659 14.231 -1.212 82 1HD2 LEU 11 HD2 LEU 11 0.536 14.373 -1.205 83 2HD2 LEU 11 HD2 LEU 11 -0.263 15.591 -0.207 84 3HD2 LEU 11 HD2 LEU 11 -0.520 15.571 -1.952 85 H CYS 12 HN CYS 12 -1.415 10.048 1.125 86 HA CYS 12 HA CYS 12 -2.143 9.592 -1.647 87 1HB CYS 12 HB2 CYS 12 -0.158 8.471 -0.509 88 2HB CYS 12 HB1 CYS 12 -1.332 7.465 0.337 89 HG CYS 12 HG CYS 12 -1.951 7.094 -2.485 90 H VAL 13 HN VAL 13 -3.922 8.576 -2.424 91 HA VAL 13 HA VAL 13 -5.691 7.150 -0.628 92 HB VAL 13 HB VAL 13 -7.685 8.495 -1.485 93 1HG1 VAL 13 HG1 VAL 13 -7.158 10.400 0.205 94 2HG1 VAL 13 HG1 VAL 13 -5.714 9.453 0.544 95 3HG1 VAL 13 HG1 VAL 13 -7.306 8.740 0.777 96 1HG2 VAL 13 HG2 VAL 13 -7.257 10.806 -2.116 97 2HG2 VAL 13 HG2 VAL 13 -6.486 9.697 -3.250 98 3HG2 VAL 13 HG2 VAL 13 -5.518 10.523 -2.028 99 H LYS 14 HN LYS 14 -7.511 6.114 -1.763 100 HA LYS 14 HA LYS 14 -7.647 6.017 -4.580 101 1HB LYS 14 HB2 LYS 14 -5.515 4.540 -3.453 102 2HB LYS 14 HB1 LYS 14 -6.725 3.372 -3.966 103 1HG LYS 14 HG2 LYS 14 -6.301 5.418 -5.964 104 2HG LYS 14 HG1 LYS 14 -4.805 4.580 -5.549 105 1HD LYS 14 HD2 LYS 14 -5.646 2.504 -6.201 106 2HD LYS 14 HD1 LYS 14 -7.321 3.050 -6.110 107 1HE LYS 14 HE2 LYS 14 -5.512 4.393 -8.048 108 2HE LYS 14 HE1 LYS 14 -6.062 2.762 -8.423 109 1HZ LYS 14 HZ1 LYS 14 -7.817 3.822 -9.284 110 2HZ LYS 14 HZ2 LYS 14 -7.532 5.247 -8.420 111 3HZ LYS 14 HZ3 LYS 14 -8.346 3.961 -7.682 112 HA PRO 15 HA PRO 15 -11.307 4.284 -2.517 113 1HB PRO 15 HB2 PRO 15 -13.092 5.115 -4.369 114 2HB PRO 15 HB1 PRO 15 -12.487 6.160 -3.077 115 1HG PRO 15 HG2 PRO 15 -11.651 6.008 -5.941 116 2HG PRO 15 HG1 PRO 15 -11.889 7.435 -4.915 117 1HD PRO 15 HD2 PRO 15 -9.435 6.384 -5.465 118 2HD PRO 15 HD1 PRO 15 -9.805 7.249 -3.962 119 H ASP 16 HN ASP 16 -10.075 3.849 -5.727 120 HA ASP 16 HA ASP 16 -11.648 1.377 -5.987 121 1HB ASP 16 HB2 ASP 16 -10.294 3.046 -8.113 122 2HB ASP 16 HB1 ASP 16 -11.135 1.527 -8.411 123 H VAL 17 HN VAL 17 -10.354 -0.047 -4.870 124 HA VAL 17 HA VAL 17 -8.014 -0.958 -6.276 125 HB VAL 17 HB VAL 17 -7.016 0.755 -4.843 126 1HG1 VAL 17 HG1 VAL 17 -7.635 -0.775 -2.379 127 2HG1 VAL 17 HG1 VAL 17 -8.890 0.266 -3.044 128 3HG1 VAL 17 HG1 VAL 17 -7.329 0.948 -2.598 129 1HG2 VAL 17 HG2 VAL 17 -5.877 -1.453 -5.366 130 2HG2 VAL 17 HG2 VAL 17 -6.288 -1.938 -3.722 131 3HG2 VAL 17 HG2 VAL 17 -5.243 -0.545 -3.995 132 H SER 18 HN SER 18 -7.290 -3.059 -5.570 133 HA SER 18 HA SER 18 -9.317 -4.485 -3.971 134 1HB SER 18 HB2 SER 18 -7.822 -6.318 -5.570 135 2HB SER 18 HB1 SER 18 -9.534 -5.914 -5.686 136 HG SER 18 HG SER 18 -7.691 -5.398 -7.448 137 H VAL 19 HN VAL 19 -8.643 -5.507 -2.179 138 HA VAL 19 HA VAL 19 -5.739 -5.712 -1.739 139 HB VAL 19 HB VAL 19 -7.366 -6.102 0.642 140 1HG1 VAL 19 HG1 VAL 19 -4.821 -5.334 0.058 141 2HG1 VAL 19 HG1 VAL 19 -5.600 -5.146 1.628 142 3HG1 VAL 19 HG1 VAL 19 -5.571 -3.798 0.491 143 1HG2 VAL 19 HG2 VAL 19 -7.796 -3.639 -0.996 144 2HG2 VAL 19 HG2 VAL 19 -7.826 -3.549 0.765 145 3HG2 VAL 19 HG2 VAL 19 -8.962 -4.598 -0.083 146 H TYR 20 HN TYR 20 -5.382 -7.478 0.136 147 HA TYR 20 HA TYR 20 -6.939 -9.885 -0.343 148 1HB TYR 20 HB2 TYR 20 -4.011 -9.642 -1.052 149 2HB TYR 20 HB1 TYR 20 -4.820 -11.188 -0.816 150 HD1 TYR 20 HD1 TYR 20 -4.739 -8.148 -2.920 151 HD2 TYR 20 HD2 TYR 20 -6.177 -12.131 -2.519 152 HE1 TYR 20 HE1 TYR 20 -5.468 -8.112 -5.266 153 HE2 TYR 20 HE2 TYR 20 -6.910 -12.107 -4.866 154 HH TYR 20 HH TYR 20 -7.468 -9.606 -6.594 155 H ARG 21 HN ARG 21 -6.509 -11.561 1.218 156 HA ARG 21 HA ARG 21 -4.998 -10.625 3.568 157 1HB ARG 21 HB2 ARG 21 -7.714 -10.815 3.500 158 2HB ARG 21 HB1 ARG 21 -7.282 -12.411 4.098 159 1HG ARG 21 HG2 ARG 21 -7.654 -11.013 5.980 160 2HG ARG 21 HG1 ARG 21 -5.915 -11.291 5.864 161 1HD ARG 21 HD2 ARG 21 -5.493 -9.130 5.112 162 2HD ARG 21 HD1 ARG 21 -7.161 -8.881 4.596 163 HE ARG 21 HE ARG 21 -7.322 -9.202 7.302 164 1HH1 ARG 21 HH1 ARG 21 -5.568 -7.058 5.179 165 2HH1 ARG 21 HH1 ARG 21 -5.539 -5.752 6.316 166 1HH2 ARG 21 HH2 ARG 21 -7.279 -7.487 8.800 167 2HH2 ARG 21 HH2 ARG 21 -6.509 -5.996 8.372 168 H ILE 22 HN ILE 22 -3.262 -11.874 3.714 169 HA ILE 22 HA ILE 22 -3.577 -14.769 3.266 170 HB ILE 22 HB ILE 22 -1.043 -13.158 2.960 171 1HG1 ILE 22 HG1 ILE 22 -2.455 -14.429 0.665 172 2HG1 ILE 22 HG1 ILE 22 -3.086 -12.907 1.279 173 1HG2 ILE 22 HG2 ILE 22 -0.202 -15.208 1.865 174 2HG2 ILE 22 HG2 ILE 22 -1.703 -16.027 2.297 175 3HG2 ILE 22 HG2 ILE 22 -0.613 -15.461 3.562 176 1HD1 ILE 22 HD1 ILE 22 -1.658 -12.260 -0.420 177 2HD1 ILE 22 HD1 ILE 22 -0.451 -13.477 -0.006 178 3HD1 ILE 22 HD1 ILE 22 -0.670 -12.065 1.028 179 HA PRO 23 HA PRO 23 -2.976 -15.004 7.735 180 1HB PRO 23 HB2 PRO 23 -2.137 -17.717 7.424 181 2HB PRO 23 HB1 PRO 23 -3.698 -17.126 7.990 182 1HG PRO 23 HG2 PRO 23 -2.906 -18.089 5.316 183 2HG PRO 23 HG1 PRO 23 -4.506 -18.051 6.073 184 1HD PRO 23 HD2 PRO 23 -3.812 -16.380 4.077 185 2HD PRO 23 HD1 PRO 23 -4.921 -15.891 5.376 186 HA PRO 24 HA PRO 24 1.452 -14.288 7.587 187 1HB PRO 24 HB2 PRO 24 1.793 -13.851 10.252 188 2HB PRO 24 HB1 PRO 24 1.137 -12.636 9.150 189 1HG PRO 24 HG2 PRO 24 -0.309 -14.490 11.004 190 2HG PRO 24 HG1 PRO 24 -0.598 -12.767 10.696 191 1HD PRO 24 HD2 PRO 24 -2.109 -14.700 9.573 192 2HD PRO 24 HD1 PRO 24 -1.739 -13.182 8.730 193 H ARG 25 HN ARG 25 3.397 -15.144 8.783 194 HA ARG 25 HA ARG 25 3.222 -17.481 10.363 195 1HB ARG 25 HB2 ARG 25 2.445 -18.378 8.153 196 2HB ARG 25 HB1 ARG 25 4.024 -17.975 7.493 197 1HG ARG 25 HG2 ARG 25 4.510 -19.467 9.819 198 2HG ARG 25 HG1 ARG 25 3.206 -20.291 8.962 199 1HD ARG 25 HD2 ARG 25 4.524 -20.440 6.971 200 2HD ARG 25 HD1 ARG 25 5.784 -19.422 7.667 201 HE ARG 25 HE ARG 25 5.929 -21.360 9.371 202 1HH1 ARG 25 HH1 ARG 25 5.301 -21.704 5.948 203 2HH1 ARG 25 HH1 ARG 25 5.979 -23.293 5.863 204 1HH2 ARG 25 HH2 ARG 25 6.821 -23.445 9.248 205 2HH2 ARG 25 HH2 ARG 25 6.841 -24.280 7.730 206 H ALA 26 HN ALA 26 5.375 -16.559 7.672 207 HA ALA 26 HA ALA 26 7.467 -15.938 9.632 208 1HB ALA 26 HB1 ALA 26 8.791 -17.631 9.059 209 2HB ALA 26 HB2 ALA 26 8.605 -17.274 7.341 210 3HB ALA 26 HB3 ALA 26 7.432 -18.307 8.160 211 H SER 27 HN SER 27 9.281 -14.726 8.693 212 HA SER 27 HA SER 27 8.293 -12.773 6.790 213 1HB SER 27 HB2 SER 27 10.953 -12.850 8.234 214 2HB SER 27 HB1 SER 27 10.253 -11.469 7.390 215 HG SER 27 HG SER 27 8.435 -11.805 8.963 216 H ASN 28 HN ASN 28 8.370 -14.820 5.262 217 HA ASN 28 HA ASN 28 10.889 -15.533 4.155 218 1HB ASN 28 HB2 ASN 28 8.084 -15.826 3.060 219 2HB ASN 28 HB1 ASN 28 9.516 -16.545 2.329 220 1HD2 ASN 28 HD2 ASN 28 10.904 -17.475 4.437 221 2HD2 ASN 28 HD2 ASN 28 10.001 -18.684 5.278 222 H ARG 29 HN ARG 29 11.942 -14.801 2.347 223 HA ARG 29 HA ARG 29 11.098 -12.169 1.389 224 1HB ARG 29 HB2 ARG 29 13.427 -12.019 0.503 225 2HB ARG 29 HB1 ARG 29 13.330 -12.215 2.248 226 1HG ARG 29 HG2 ARG 29 13.492 -14.806 1.178 227 2HG ARG 29 HG1 ARG 29 14.683 -13.835 0.313 228 1HD ARG 29 HD2 ARG 29 15.328 -13.001 2.681 229 2HD ARG 29 HD1 ARG 29 14.478 -14.441 3.234 230 HE ARG 29 HE ARG 29 16.058 -15.770 1.985 231 1HH1 ARG 29 HH1 ARG 29 16.920 -12.411 2.429 232 2HH1 ARG 29 HH1 ARG 29 18.603 -12.682 2.133 233 1HH2 ARG 29 HH2 ARG 29 18.268 -16.113 1.586 234 2HH2 ARG 29 HH2 ARG 29 19.368 -14.777 1.653 235 H GLY 30 HN GLY 30 12.382 -15.214 0.010 236 1HA GLY 30 HA2 GLY 30 11.800 -14.404 -2.674 237 2HA GLY 30 HA1 GLY 30 12.317 -16.000 -2.156 238 H TYR 31 HN TYR 31 9.625 -13.956 -2.901 239 HA TYR 31 HA TYR 31 7.589 -15.749 -2.012 240 1HB TYR 31 HB2 TYR 31 7.582 -13.144 -2.683 241 2HB TYR 31 HB1 TYR 31 6.991 -13.829 -4.193 242 HD1 TYR 31 HD1 TYR 31 4.708 -14.036 -4.429 243 HD2 TYR 31 HD2 TYR 31 6.375 -14.165 -0.516 244 HE1 TYR 31 HE1 TYR 31 2.448 -14.178 -3.474 245 HE2 TYR 31 HE2 TYR 31 4.119 -14.312 0.447 246 HH TYR 31 HH TYR 31 1.264 -14.612 -1.596 247 H ARG 32 HN ARG 32 5.832 -16.237 -3.877 248 HA ARG 32 HA ARG 32 6.833 -17.083 -6.392 249 1HB ARG 32 HB2 ARG 32 6.671 -19.510 -6.071 250 2HB ARG 32 HB1 ARG 32 7.925 -18.808 -5.057 251 1HG ARG 32 HG2 ARG 32 5.491 -18.835 -3.587 252 2HG ARG 32 HG1 ARG 32 5.741 -20.432 -4.294 253 1HD ARG 32 HD2 ARG 32 7.663 -18.894 -2.553 254 2HD ARG 32 HD1 ARG 32 6.769 -20.350 -2.119 255 HE ARG 32 HE ARG 32 8.653 -20.474 -4.356 256 1HH1 ARG 32 HH1 ARG 32 7.856 -21.348 -1.067 257 2HH1 ARG 32 HH1 ARG 32 9.051 -22.597 -0.982 258 1HH2 ARG 32 HH2 ARG 32 10.225 -22.112 -4.235 259 2HH2 ARG 32 HH2 ARG 32 10.396 -23.029 -2.775 260 H ALA 33 HN ALA 33 4.879 -15.727 -6.661 261 HA ALA 33 HA ALA 33 2.320 -16.559 -5.863 262 1HB ALA 33 HB1 ALA 33 2.843 -14.993 -8.361 263 2HB ALA 33 HB2 ALA 33 3.042 -14.290 -6.755 264 3HB ALA 33 HB3 ALA 33 1.467 -14.898 -7.264 265 H SER 34 HN SER 34 4.032 -17.062 -8.946 266 HA SER 34 HA SER 34 2.094 -18.336 -10.407 267 1HB SER 34 HB2 SER 34 5.066 -18.856 -10.282 268 2HB SER 34 HB1 SER 34 4.013 -19.638 -11.460 269 HG SER 34 HG SER 34 3.859 -17.826 -12.533 270 H ASP 35 HN ASP 35 3.867 -19.565 -7.681 271 HA ASP 35 HA ASP 35 2.618 -22.201 -8.041 272 1HB ASP 35 HB2 ASP 35 5.013 -21.334 -6.422 273 2HB ASP 35 HB1 ASP 35 4.274 -22.925 -6.272 274 H TRP 36 HN TRP 36 2.596 -19.346 -6.106 275 HA TRP 36 HA TRP 36 1.326 -20.634 -3.844 276 1HB TRP 36 HB2 TRP 36 2.737 -18.892 -3.199 277 2HB TRP 36 HB1 TRP 36 2.172 -17.828 -4.477 278 HD1 TRP 36 HD1 TRP 36 0.659 -19.441 -1.268 279 HE1 TRP 36 HE1 TRP 36 -0.877 -17.688 -0.170 280 HE3 TRP 36 HE3 TRP 36 1.113 -15.686 -4.708 281 HZ2 TRP 36 HZ2 TRP 36 -1.772 -15.065 -0.702 282 HZ3 TRP 36 HZ3 TRP 36 -0.110 -13.589 -4.336 283 HH2 TRP 36 HH2 TRP 36 -1.523 -13.285 -2.371 284 H LYS 37 HN LYS 37 0.288 -19.426 -6.831 285 HA LYS 37 HA LYS 37 -1.764 -19.170 -7.753 286 1HB LYS 37 HB2 LYS 37 -2.370 -21.212 -6.602 287 2HB LYS 37 HB1 LYS 37 -2.718 -20.326 -5.126 288 1HG LYS 37 HG2 LYS 37 -4.754 -20.970 -6.319 289 2HG LYS 37 HG1 LYS 37 -4.595 -19.219 -6.218 290 1HD LYS 37 HD2 LYS 37 -3.492 -20.596 -8.605 291 2HD LYS 37 HD1 LYS 37 -5.243 -20.423 -8.470 292 1HE LYS 37 HE2 LYS 37 -4.299 -17.926 -7.782 293 2HE LYS 37 HE1 LYS 37 -3.212 -18.429 -9.076 294 1HZ LYS 37 HZ1 LYS 37 -4.899 -17.498 -10.267 295 2HZ LYS 37 HZ2 LYS 37 -6.100 -17.940 -9.159 296 3HZ LYS 37 HZ3 LYS 37 -5.450 -19.097 -10.209 297 H LEU 38 HN LEU 38 -3.552 -18.561 -4.883 298 HA LEU 38 HA LEU 38 -3.381 -16.254 -3.817 299 1HB LEU 38 HB2 LEU 38 -2.532 -15.146 -5.813 300 2HB LEU 38 HB1 LEU 38 -3.988 -15.552 -6.698 301 HG LEU 38 HG LEU 38 -5.290 -14.023 -5.336 302 1HD1 LEU 38 HD1 LEU 38 -4.464 -14.079 -3.191 303 2HD1 LEU 38 HD1 LEU 38 -3.846 -12.526 -3.757 304 3HD1 LEU 38 HD1 LEU 38 -2.796 -13.937 -3.726 305 1HD2 LEU 38 HD2 LEU 38 -3.032 -12.241 -5.823 306 2HD2 LEU 38 HD2 LEU 38 -4.646 -12.252 -6.535 307 3HD2 LEU 38 HD2 LEU 38 -3.392 -13.312 -7.178 308 H ASP 39 HN ASP 39 -5.101 -18.470 -3.703 309 HA ASP 39 HA ASP 39 -7.726 -17.588 -4.495 310 1HB ASP 39 HB2 ASP 39 -6.654 -20.055 -3.130 311 2HB ASP 39 HB1 ASP 39 -8.383 -19.742 -3.240 312 H GLN 40 HN GLN 40 -6.414 -15.853 -2.757 313 HA GLN 40 HA GLN 40 -7.340 -16.235 -0.066 314 1HB GLN 40 HB2 GLN 40 -5.612 -14.400 -1.542 315 2HB GLN 40 HB1 GLN 40 -6.582 -13.579 -0.330 316 1HG GLN 40 HG2 GLN 40 -4.702 -14.122 0.872 317 2HG GLN 40 HG1 GLN 40 -5.750 -15.494 1.232 318 1HE2 GLN 40 HE2 GLN 40 -3.646 -16.497 1.766 319 2HE2 GLN 40 HE2 GLN 40 -2.752 -17.251 0.494 320 HA PRO 41 HA PRO 41 -11.172 -14.052 0.031 321 1HB PRO 41 HB2 PRO 41 -10.774 -11.543 1.124 322 2HB PRO 41 HB1 PRO 41 -10.999 -13.032 2.044 323 1HG PRO 41 HG2 PRO 41 -8.478 -11.611 1.322 324 2HG PRO 41 HG1 PRO 41 -8.920 -12.417 2.837 325 1HD PRO 41 HD2 PRO 41 -7.278 -13.564 1.083 326 2HD PRO 41 HD1 PRO 41 -8.452 -14.526 1.995 327 H ASP 42 HN ASP 42 -9.019 -11.258 -0.583 328 HA ASP 42 HA ASP 42 -8.868 -9.851 -2.366 329 1HB ASP 42 HB2 ASP 42 -9.171 -11.924 -3.771 330 2HB ASP 42 HB1 ASP 42 -10.896 -11.573 -3.798 331 H TRP 43 HN TRP 43 -10.140 -8.779 -0.488 332 HA TRP 43 HA TRP 43 -12.894 -8.205 -1.068 333 1HB TRP 43 HB2 TRP 43 -12.584 -6.505 0.851 334 2HB TRP 43 HB1 TRP 43 -12.486 -8.216 1.233 335 HD1 TRP 43 HD1 TRP 43 -9.741 -9.134 1.276 336 HE1 TRP 43 HE1 TRP 43 -7.776 -7.961 2.447 337 HE3 TRP 43 HE3 TRP 43 -11.694 -4.421 1.620 338 HZ2 TRP 43 HZ2 TRP 43 -7.139 -5.384 3.406 339 HZ3 TRP 43 HZ3 TRP 43 -10.343 -2.661 2.685 340 HH2 TRP 43 HH2 TRP 43 -8.113 -3.135 3.560 341 H THR 44 HN THR 44 -13.701 -5.985 -1.318 342 HA THR 44 HA THR 44 -11.857 -4.368 -2.953 343 HB THR 44 HB THR 44 -14.854 -4.384 -3.266 344 HG1 THR 44 HG1 THR 44 -12.949 -6.160 -4.291 345 1HG2 THR 44 HG2 THR 44 -13.428 -2.532 -4.253 346 2HG2 THR 44 HG2 THR 44 -14.515 -3.386 -5.348 347 3HG2 THR 44 HG2 THR 44 -12.792 -3.761 -5.346 348 H GLY 45 HN GLY 45 -11.579 -2.287 -2.400 349 1HA GLY 45 HA2 GLY 45 -13.516 -0.706 -1.085 350 2HA GLY 45 HA1 GLY 45 -12.377 -1.328 0.096 351 H ARG 46 HN ARG 46 -12.146 1.102 0.304 352 HA ARG 46 HA ARG 46 -10.314 2.177 -1.715 353 1HB ARG 46 HB2 ARG 46 -10.752 4.372 -0.691 354 2HB ARG 46 HB1 ARG 46 -12.220 3.593 -1.254 355 1HG ARG 46 HG2 ARG 46 -12.824 3.002 0.997 356 2HG ARG 46 HG1 ARG 46 -11.295 3.642 1.607 357 1HD ARG 46 HD2 ARG 46 -13.330 5.287 0.111 358 2HD ARG 46 HD1 ARG 46 -13.260 5.183 1.870 359 HE ARG 46 HE ARG 46 -10.791 5.962 1.365 360 1HH1 ARG 46 HH1 ARG 46 -13.769 7.123 -0.049 361 2HH1 ARG 46 HH1 ARG 46 -13.142 8.705 -0.363 362 1HH2 ARG 46 HH2 ARG 46 -9.976 8.048 0.944 363 2HH2 ARG 46 HH2 ARG 46 -11.000 9.230 0.197 364 H LEU 47 HN LEU 47 -8.236 2.661 -1.280 365 HA LEU 47 HA LEU 47 -7.320 2.249 1.490 366 1HB LEU 47 HB2 LEU 47 -6.717 0.541 -0.467 367 2HB LEU 47 HB1 LEU 47 -5.459 1.723 -0.774 368 HG LEU 47 HG LEU 47 -5.739 0.857 2.029 369 1HD1 LEU 47 HD1 LEU 47 -4.426 -1.206 1.600 370 2HD1 LEU 47 HD1 LEU 47 -4.765 -1.005 -0.119 371 3HD1 LEU 47 HD1 LEU 47 -6.088 -1.273 1.016 372 1HD2 LEU 47 HD2 LEU 47 -3.701 1.712 2.142 373 2HD2 LEU 47 HD2 LEU 47 -3.851 2.183 0.450 374 3HD2 LEU 47 HD2 LEU 47 -3.125 0.633 0.872 375 H ARG 48 HN ARG 48 -5.776 3.634 2.282 376 HA ARG 48 HA ARG 48 -4.477 5.575 0.622 377 1HB ARG 48 HB2 ARG 48 -5.575 7.529 1.799 378 2HB ARG 48 HB1 ARG 48 -6.572 6.679 0.629 379 1HG ARG 48 HG2 ARG 48 -8.121 6.374 2.157 380 2HG ARG 48 HG1 ARG 48 -6.980 5.457 3.144 381 1HD ARG 48 HD2 ARG 48 -6.680 7.159 4.573 382 2HD ARG 48 HD1 ARG 48 -6.567 8.344 3.273 383 HE ARG 48 HE ARG 48 -9.243 7.501 3.596 384 1HH1 ARG 48 HH1 ARG 48 -6.787 9.475 5.098 385 2HH1 ARG 48 HH1 ARG 48 -7.926 10.526 5.871 386 1HH2 ARG 48 HH2 ARG 48 -10.742 8.883 4.607 387 2HH2 ARG 48 HH2 ARG 48 -10.174 10.189 5.592 388 H ILE 49 HN ILE 49 -3.265 7.199 1.989 389 HA ILE 49 HA ILE 49 -2.728 6.243 4.696 390 HB ILE 49 HB ILE 49 -0.360 6.119 4.417 391 1HG1 ILE 49 HG1 ILE 49 -0.313 6.442 1.492 392 2HG1 ILE 49 HG1 ILE 49 -0.635 7.927 2.378 393 1HG2 ILE 49 HG2 ILE 49 -0.162 4.295 2.751 394 2HG2 ILE 49 HG2 ILE 49 -1.787 4.679 2.192 395 3HG2 ILE 49 HG2 ILE 49 -1.536 4.104 3.839 396 1HD1 ILE 49 HD1 ILE 49 1.644 6.180 3.170 397 2HD1 ILE 49 HD1 ILE 49 1.428 7.915 3.390 398 3HD1 ILE 49 HD1 ILE 49 1.791 7.267 1.792 399 H THR 50 HN THR 50 -1.808 7.803 6.084 400 HA THR 50 HA THR 50 -1.338 10.476 5.048 401 HB THR 50 HB THR 50 -2.998 11.211 7.028 402 HG1 THR 50 HG1 THR 50 -3.517 8.856 7.236 403 1HG2 THR 50 HG2 THR 50 -4.787 10.781 4.931 404 2HG2 THR 50 HG2 THR 50 -3.217 11.058 4.176 405 3HG2 THR 50 HG2 THR 50 -3.881 12.251 5.293 406 H SER 51 HN SER 51 -0.629 11.984 6.780 407 HA SER 51 HA SER 51 0.385 10.721 9.199 408 1HB SER 51 HB2 SER 51 2.646 11.948 8.629 409 2HB SER 51 HB1 SER 51 2.315 10.343 7.992 410 HG SER 51 HG SER 51 3.056 11.748 6.365 411 H LYS 52 HN LYS 52 0.365 12.046 10.915 412 HA LYS 52 HA LYS 52 -0.801 14.618 10.755 413 1HB LYS 52 HB2 LYS 52 -0.975 13.191 12.760 414 2HB LYS 52 HB1 LYS 52 0.755 13.353 13.025 415 1HG LYS 52 HG2 LYS 52 -0.489 14.812 14.507 416 2HG LYS 52 HG1 LYS 52 0.485 15.754 13.376 417 1HD LYS 52 HD2 LYS 52 -2.152 15.228 12.308 418 2HD LYS 52 HD1 LYS 52 -2.247 16.025 13.879 419 1HE LYS 52 HE2 LYS 52 -1.132 17.911 13.136 420 2HE LYS 52 HE1 LYS 52 -0.359 17.052 11.804 421 1HZ LYS 52 HZ1 LYS 52 -3.202 17.879 11.985 422 2HZ LYS 52 HZ2 LYS 52 -2.591 16.875 10.769 423 3HZ LYS 52 HZ3 LYS 52 -2.033 18.464 10.911 424 H GLY 53 HN GLY 53 2.504 13.626 11.655 425 1HA GLY 53 HA2 GLY 53 3.721 15.721 10.160 426 2HA GLY 53 HA1 GLY 53 3.669 16.125 11.869 427 H LYS 54 HN LYS 54 4.452 14.228 13.326 428 HA LYS 54 HA LYS 54 7.091 13.502 12.365 429 1HB LYS 54 HB2 LYS 54 5.830 12.952 15.057 430 2HB LYS 54 HB1 LYS 54 7.532 12.802 14.648 431 1HG LYS 54 HG2 LYS 54 7.841 14.890 15.297 432 2HG LYS 54 HG1 LYS 54 6.783 15.433 13.991 433 1HD LYS 54 HD2 LYS 54 4.843 15.187 15.449 434 2HD LYS 54 HD1 LYS 54 5.881 14.604 16.750 435 1HE LYS 54 HE2 LYS 54 6.633 16.671 17.257 436 2HE LYS 54 HE1 LYS 54 6.641 17.195 15.572 437 1HZ LYS 54 HZ1 LYS 54 4.051 17.041 15.938 438 2HZ LYS 54 HZ2 LYS 54 4.922 18.431 16.351 439 3HZ LYS 54 HZ3 LYS 54 4.492 17.317 17.549 440 H ILE 55 HN ILE 55 4.000 12.018 12.795 441 HA ILE 55 HA ILE 55 5.220 9.430 12.135 442 HB ILE 55 HB ILE 55 3.613 8.256 13.480 443 1HG1 ILE 55 HG1 ILE 55 2.531 10.561 14.916 444 2HG1 ILE 55 HG1 ILE 55 2.050 10.534 13.223 445 1HG2 ILE 55 HG2 ILE 55 5.424 10.258 14.618 446 2HG2 ILE 55 HG2 ILE 55 5.294 8.532 14.938 447 3HG2 ILE 55 HG2 ILE 55 4.204 9.657 15.739 448 1HD1 ILE 55 HD1 ILE 55 1.687 8.261 15.159 449 2HD1 ILE 55 HD1 ILE 55 1.123 8.323 13.489 450 3HD1 ILE 55 HD1 ILE 55 0.438 9.416 14.692 451 H ALA 56 HN ALA 56 3.156 7.868 11.559 452 HA ALA 56 HA ALA 56 1.308 9.266 9.799 453 1HB ALA 56 HB1 ALA 56 3.310 8.894 8.422 454 2HB ALA 56 HB2 ALA 56 1.917 7.994 7.831 455 3HB ALA 56 HB3 ALA 56 3.186 7.165 8.732 456 H TYR 57 HN TYR 57 -0.297 7.805 8.836 457 HA TYR 57 HA TYR 57 -0.559 5.166 9.958 458 1HB TYR 57 HB2 TYR 57 -2.892 5.752 10.871 459 2HB TYR 57 HB1 TYR 57 -1.489 6.194 11.833 460 HD1 TYR 57 HD1 TYR 57 -4.544 7.327 10.561 461 HD2 TYR 57 HD2 TYR 57 -0.586 8.644 11.390 462 HE1 TYR 57 HE1 TYR 57 -5.344 9.650 10.674 463 HE2 TYR 57 HE2 TYR 57 -1.372 10.968 11.497 464 HH TYR 57 HH TYR 57 -3.211 12.329 10.734 465 H ILE 58 HN ILE 58 -1.876 3.859 8.790 466 HA ILE 58 HA ILE 58 -2.944 5.024 6.323 467 HB ILE 58 HB ILE 58 -2.856 2.808 5.383 468 1HG1 ILE 58 HG1 ILE 58 -1.524 1.217 7.239 469 2HG1 ILE 58 HG1 ILE 58 -2.763 2.025 8.194 470 1HG2 ILE 58 HG2 ILE 58 -0.756 4.298 5.783 471 2HG2 ILE 58 HG2 ILE 58 -0.562 2.651 5.182 472 3HG2 ILE 58 HG2 ILE 58 -0.289 3.009 6.889 473 1HD1 ILE 58 HD1 ILE 58 -3.055 -0.241 6.611 474 2HD1 ILE 58 HD1 ILE 58 -3.859 1.053 5.723 475 3HD1 ILE 58 HD1 ILE 58 -4.333 0.698 7.384 476 H LYS 59 HN LYS 59 -5.041 4.789 5.685 477 HA LYS 59 HA LYS 59 -6.865 3.514 7.614 478 1HB LYS 59 HB2 LYS 59 -6.922 6.203 6.372 479 2HB LYS 59 HB1 LYS 59 -8.464 5.370 6.513 480 1HG LYS 59 HG2 LYS 59 -8.432 5.404 8.804 481 2HG LYS 59 HG1 LYS 59 -6.675 5.523 8.888 482 1HD LYS 59 HD2 LYS 59 -6.898 7.720 9.183 483 2HD LYS 59 HD1 LYS 59 -7.528 7.826 7.538 484 1HE LYS 59 HE2 LYS 59 -9.000 8.847 9.281 485 2HE LYS 59 HE1 LYS 59 -9.774 7.604 8.301 486 1HZ LYS 59 HZ1 LYS 59 -10.246 7.442 10.711 487 2HZ LYS 59 HZ2 LYS 59 -8.612 7.105 10.983 488 3HZ LYS 59 HZ3 LYS 59 -9.551 6.045 10.064 489 H LEU 60 HN LEU 60 -8.434 2.225 6.847 490 HA LEU 60 HA LEU 60 -8.714 1.976 3.926 491 1HB LEU 60 HB2 LEU 60 -9.063 -0.418 5.665 492 2HB LEU 60 HB1 LEU 60 -8.564 -0.321 3.987 493 HG LEU 60 HG LEU 60 -6.832 0.429 6.346 494 1HD1 LEU 60 HD1 LEU 60 -5.565 -1.603 5.750 495 2HD1 LEU 60 HD1 LEU 60 -6.828 -2.026 4.597 496 3HD1 LEU 60 HD1 LEU 60 -7.194 -1.957 6.320 497 1HD2 LEU 60 HD2 LEU 60 -5.331 -0.074 4.025 498 2HD2 LEU 60 HD2 LEU 60 -5.563 1.465 4.854 499 3HD2 LEU 60 HD2 LEU 60 -6.652 0.995 3.551 500 H GLU 61 HN GLU 61 -10.764 1.183 3.186 501 HA GLU 61 HA GLU 61 -12.953 0.796 4.971 502 1HB GLU 61 HB2 GLU 61 -12.499 3.332 4.979 503 2HB GLU 61 HB1 GLU 61 -13.147 3.318 3.345 504 1HG GLU 61 HG2 GLU 61 -15.248 3.138 4.054 505 2HG GLU 61 HG1 GLU 61 -14.839 1.938 5.276 506 H ASP 62 HN ASP 62 -15.110 0.842 3.668 507 HA ASP 62 HA ASP 62 -14.781 -0.904 1.457 508 1HB ASP 62 HB2 ASP 62 -16.702 -1.074 2.963 509 2HB ASP 62 HB1 ASP 62 -17.248 0.527 2.472 510 H LYS 63 HN LYS 63 -15.457 -0.597 -0.710 511 HA LYS 63 HA LYS 63 -14.564 1.819 -1.866 512 1HB LYS 63 HB2 LYS 63 -14.505 -0.455 -2.940 513 2HB LYS 63 HB1 LYS 63 -16.236 -0.309 -3.208 514 1HG LYS 63 HG2 LYS 63 -15.720 1.824 -4.473 515 2HG LYS 63 HG1 LYS 63 -14.028 1.332 -4.405 516 1HD LYS 63 HD2 LYS 63 -15.649 -0.868 -5.285 517 2HD LYS 63 HD1 LYS 63 -15.972 0.553 -6.279 518 1HE LYS 63 HE2 LYS 63 -13.599 0.794 -6.745 519 2HE LYS 63 HE1 LYS 63 -13.235 -0.575 -5.695 520 1HZ LYS 63 HZ1 LYS 63 -13.355 -0.995 -8.187 521 2HZ LYS 63 HZ2 LYS 63 -15.032 -0.857 -8.024 522 3HZ LYS 63 HZ3 LYS 63 -14.198 -2.064 -7.182 523 H VAL 64 HN VAL 64 -17.624 0.870 -0.650 524 HA VAL 64 HA VAL 64 -19.137 2.733 -2.256 525 HB VAL 64 HB VAL 64 -20.007 1.174 0.179 526 1HG1 VAL 64 HG1 VAL 64 -21.475 2.835 -1.838 527 2HG1 VAL 64 HG1 VAL 64 -21.575 2.874 -0.078 528 3HG1 VAL 64 HG1 VAL 64 -22.284 1.529 -0.971 529 1HG2 VAL 64 HG2 VAL 64 -20.751 -0.536 -1.226 530 2HG2 VAL 64 HG2 VAL 64 -19.164 -0.117 -1.871 531 3HG2 VAL 64 HG2 VAL 64 -20.624 0.469 -2.669 532 H SER 65 HN SER 65 -17.394 2.785 0.696 533 HA SER 65 HA SER 65 -16.755 4.696 1.851 534 1HB SER 65 HB2 SER 65 -17.883 6.074 -0.001 535 2HB SER 65 HB1 SER 65 -19.308 6.080 1.038 536 HG SER 65 HG SER 65 -16.779 7.236 1.481 537 H GLY 66 HN GLY 66 -17.069 3.269 3.594 538 1HA GLY 66 HA2 GLY 66 -17.958 3.568 5.866 539 2HA GLY 66 HA1 GLY 66 -19.540 3.793 5.127 540 H GLU 67 HN GLU 67 -17.567 1.629 6.679 541 HA GLU 67 HA GLU 67 -19.348 -0.485 6.667 542 1HB GLU 67 HB2 GLU 67 -18.379 -0.436 4.190 543 2HB GLU 67 HB1 GLU 67 -17.073 -1.342 4.938 544 1HG GLU 67 HG2 GLU 67 -18.808 -2.920 5.820 545 2HG GLU 67 HG1 GLU 67 -19.983 -2.075 4.815 546 H LEU 68 HN LEU 68 -16.971 -2.476 6.401 547 HA LEU 68 HA LEU 68 -16.422 -2.929 9.025 548 1HB LEU 68 HB2 LEU 68 -15.700 -4.518 7.349 549 2HB LEU 68 HB1 LEU 68 -14.543 -3.370 6.692 550 HG LEU 68 HG LEU 68 -14.258 -4.196 9.543 551 1HD1 LEU 68 HD1 LEU 68 -12.758 -5.888 7.720 552 2HD1 LEU 68 HD1 LEU 68 -14.500 -6.133 7.592 553 3HD1 LEU 68 HD1 LEU 68 -13.695 -6.316 9.150 554 1HD2 LEU 68 HD2 LEU 68 -12.818 -2.622 7.756 555 2HD2 LEU 68 HD2 LEU 68 -11.895 -4.117 7.881 556 3HD2 LEU 68 HD2 LEU 68 -12.280 -3.196 9.333 557 H PHE 69 HN PHE 69 -14.315 -0.999 6.882 558 HA PHE 69 HA PHE 69 -12.874 0.707 7.315 559 1HB PHE 69 HB2 PHE 69 -14.632 1.809 8.545 560 2HB PHE 69 HB1 PHE 69 -14.359 0.785 9.948 561 HD1 PHE 69 HD1 PHE 69 -12.422 3.114 7.760 562 HD2 PHE 69 HD2 PHE 69 -13.211 1.702 11.697 563 HE1 PHE 69 HE1 PHE 69 -10.846 4.772 8.668 564 HE2 PHE 69 HE2 PHE 69 -11.637 3.357 12.609 565 HZ PHE 69 HZ PHE 69 -10.455 4.892 11.099 566 H ALA 70 HN ALA 70 -10.779 0.378 7.568 567 HA ALA 70 HA ALA 70 -9.840 -1.070 9.953 568 1HB ALA 70 HB1 ALA 70 -8.377 -2.420 8.696 569 2HB ALA 70 HB2 ALA 70 -8.623 -1.464 7.238 570 3HB ALA 70 HB3 ALA 70 -9.922 -2.485 7.849 571 H GLN 71 HN GLN 71 -7.988 -0.295 10.887 572 HA GLN 71 HA GLN 71 -6.553 1.863 9.496 573 1HB GLN 71 HB2 GLN 71 -8.224 2.129 11.814 574 2HB GLN 71 HB1 GLN 71 -6.563 2.488 12.259 575 1HG GLN 71 HG2 GLN 71 -6.459 4.116 10.404 576 2HG GLN 71 HG1 GLN 71 -8.163 3.802 10.075 577 1HE2 GLN 71 HE2 GLN 71 -9.217 3.659 12.577 578 2HE2 GLN 71 HE2 GLN 71 -9.065 5.184 13.375 579 H ALA 72 HN ALA 72 -4.373 2.145 10.103 580 HA ALA 72 HA ALA 72 -3.226 0.242 11.995 581 1HB ALA 72 HB1 ALA 72 -1.697 -0.733 10.507 582 2HB ALA 72 HB2 ALA 72 -2.011 0.472 9.259 583 3HB ALA 72 HB3 ALA 72 -3.231 -0.743 9.636 584 HA PRO 73 HA PRO 73 -1.408 4.506 12.225 585 1HB PRO 73 HB2 PRO 73 -1.410 4.627 14.943 586 2HB PRO 73 HB1 PRO 73 -2.795 5.097 13.950 587 1HG PRO 73 HG2 PRO 73 -2.292 2.525 15.397 588 2HG PRO 73 HG1 PRO 73 -3.785 3.476 15.293 589 1HD PRO 73 HD2 PRO 73 -3.375 1.277 13.782 590 2HD PRO 73 HD1 PRO 73 -4.302 2.671 13.192 591 H VAL 74 HN VAL 74 0.698 4.984 12.462 592 HA VAL 74 HA VAL 74 2.417 3.132 13.947 593 HB VAL 74 HB VAL 74 4.061 3.112 12.115 594 1HG1 VAL 74 HG1 VAL 74 1.957 2.028 10.531 595 2HG1 VAL 74 HG1 VAL 74 1.596 1.720 12.228 596 3HG1 VAL 74 HG1 VAL 74 3.127 1.182 11.541 597 1HG2 VAL 74 HG2 VAL 74 1.960 4.204 10.279 598 2HG2 VAL 74 HG2 VAL 74 3.698 4.044 10.019 599 3HG2 VAL 74 HG2 VAL 74 3.082 5.276 11.116 600 H GLU 75 HN GLU 75 4.676 4.003 14.156 601 HA GLU 75 HA GLU 75 4.533 6.779 14.960 602 1HB GLU 75 HB2 GLU 75 5.722 4.735 16.160 603 2HB GLU 75 HB1 GLU 75 7.067 5.207 15.131 604 1HG GLU 75 HG2 GLU 75 6.510 7.597 16.100 605 2HG GLU 75 HG1 GLU 75 5.830 6.639 17.413 606 H GLN 76 HN GLN 76 5.144 5.306 12.098 607 HA GLN 76 HA GLN 76 6.250 5.819 10.183 608 1HB GLN 76 HB2 GLN 76 4.873 7.977 10.839 609 2HB GLN 76 HB1 GLN 76 6.477 8.672 10.991 610 1HG GLN 76 HG2 GLN 76 6.200 7.171 8.542 611 2HG GLN 76 HG1 GLN 76 4.974 8.422 8.684 612 1HE2 GLN 76 HE2 GLN 76 6.263 10.404 9.989 613 2HE2 GLN 76 HE2 GLN 76 7.576 10.994 9.033 614 H TYR 77 HN TYR 77 8.161 4.758 10.598 615 HA TYR 77 HA TYR 77 10.463 6.421 10.606 616 1HB TYR 77 HB2 TYR 77 9.893 6.270 13.060 617 2HB TYR 77 HB1 TYR 77 10.233 4.552 12.968 618 HD1 TYR 77 HD1 TYR 77 12.617 4.169 11.579 619 HD2 TYR 77 HD2 TYR 77 11.565 7.474 14.041 620 HE1 TYR 77 HE1 TYR 77 14.997 4.630 11.964 621 HE2 TYR 77 HE2 TYR 77 13.944 7.946 14.434 622 HH TYR 77 HH TYR 77 16.409 6.616 12.599 623 HA PRO 78 HA PRO 78 11.844 1.868 9.994 624 1HB PRO 78 HB2 PRO 78 10.144 -0.142 10.518 625 2HB PRO 78 HB1 PRO 78 11.106 0.613 11.796 626 1HG PRO 78 HG2 PRO 78 8.249 1.146 11.031 627 2HG PRO 78 HG1 PRO 78 8.929 0.860 12.645 628 1HD PRO 78 HD2 PRO 78 8.405 3.329 11.720 629 2HD PRO 78 HD1 PRO 78 9.778 2.990 12.792 630 H GLY 79 HN GLY 79 10.757 3.427 8.087 631 1HA GLY 79 HA2 GLY 79 8.653 2.228 6.602 632 2HA GLY 79 HA1 GLY 79 9.774 3.445 6.006 633 H ILE 80 HN ILE 80 8.876 0.179 5.964 634 HA ILE 80 HA ILE 80 10.600 -0.470 3.799 635 HB ILE 80 HB ILE 80 11.674 -2.455 5.085 636 1HG1 ILE 80 HG1 ILE 80 12.260 -1.491 7.482 637 2HG1 ILE 80 HG1 ILE 80 10.690 -0.725 7.291 638 1HG2 ILE 80 HG2 ILE 80 13.153 -0.195 6.059 639 2HG2 ILE 80 HG2 ILE 80 12.575 0.082 4.417 640 3HG2 ILE 80 HG2 ILE 80 13.552 -1.339 4.778 641 1HD1 ILE 80 HD1 ILE 80 10.750 -2.954 8.471 642 2HD1 ILE 80 HD1 ILE 80 11.084 -3.664 6.893 643 3HD1 ILE 80 HD1 ILE 80 9.582 -2.780 7.163 644 H ALA 81 HN ALA 81 10.566 -3.110 3.670 645 HA ALA 81 HA ALA 81 9.336 -5.031 3.575 646 1HB ALA 81 HB1 ALA 81 6.865 -4.172 4.795 647 2HB ALA 81 HB2 ALA 81 8.248 -3.790 5.814 648 3HB ALA 81 HB3 ALA 81 7.978 -5.446 5.286 649 H VAL 82 HN VAL 82 9.456 -4.067 1.357 650 HA VAL 82 HA VAL 82 6.781 -4.030 0.217 651 HB VAL 82 HB VAL 82 7.491 -2.080 -1.286 652 1HG1 VAL 82 HG1 VAL 82 6.614 -0.427 0.247 653 2HG1 VAL 82 HG1 VAL 82 6.955 -1.481 1.619 654 3HG1 VAL 82 HG1 VAL 82 5.736 -1.943 0.432 655 1HG2 VAL 82 HG2 VAL 82 9.819 -1.964 -0.732 656 2HG2 VAL 82 HG2 VAL 82 9.450 -1.728 0.976 657 3HG2 VAL 82 HG2 VAL 82 9.047 -0.473 -0.194 658 H GLU 83 HN GLU 83 6.792 -5.400 -1.433 659 HA GLU 83 HA GLU 83 8.971 -5.438 -3.329 660 1HB GLU 83 HB2 GLU 83 9.395 -7.085 -1.289 661 2HB GLU 83 HB1 GLU 83 8.289 -8.114 -2.191 662 1HG GLU 83 HG2 GLU 83 10.200 -7.091 -4.013 663 2HG GLU 83 HG1 GLU 83 11.064 -7.693 -2.600 664 H THR 84 HN THR 84 8.477 -7.369 -4.943 665 HA THR 84 HA THR 84 5.575 -7.356 -5.442 666 HB THR 84 HB THR 84 5.940 -7.141 -7.776 667 HG1 THR 84 HG1 THR 84 8.678 -7.593 -7.212 668 1HG2 THR 84 HG2 THR 84 7.470 -5.180 -8.055 669 2HG2 THR 84 HG2 THR 84 7.850 -5.324 -6.339 670 3HG2 THR 84 HG2 THR 84 6.197 -4.980 -6.849 671 H VAL 85 HN VAL 85 5.470 -9.085 -7.504 672 HA VAL 85 HA VAL 85 5.707 -11.616 -6.224 673 HB VAL 85 HB VAL 85 5.121 -12.482 -8.582 674 1HG1 VAL 85 HG1 VAL 85 2.802 -11.933 -8.295 675 2HG1 VAL 85 HG1 VAL 85 3.219 -10.563 -7.270 676 3HG1 VAL 85 HG1 VAL 85 3.531 -12.208 -6.714 677 1HG2 VAL 85 HG2 VAL 85 4.353 -9.637 -9.100 678 2HG2 VAL 85 HG2 VAL 85 4.437 -10.989 -10.211 679 3HG2 VAL 85 HG2 VAL 85 5.916 -10.268 -9.609 680 H THR 86 HN THR 86 7.440 -12.877 -6.102 681 HA THR 86 HA THR 86 9.886 -12.279 -7.361 682 HB THR 86 HB THR 86 9.060 -14.932 -6.178 683 HG1 THR 86 HG1 THR 86 10.488 -13.289 -4.553 684 1HG2 THR 86 HG2 THR 86 11.122 -15.416 -6.979 685 2HG2 THR 86 HG2 THR 86 11.590 -14.682 -5.444 686 3HG2 THR 86 HG2 THR 86 11.661 -13.737 -6.932 687 H ASP 87 HN ASP 87 7.292 -14.553 -8.178 688 HA ASP 87 HA ASP 87 8.822 -15.492 -10.479 689 1HB ASP 87 HB2 ASP 87 6.927 -16.682 -8.733 690 2HB ASP 87 HB1 ASP 87 6.217 -16.668 -10.345 691 H SER 88 HN SER 88 6.959 -12.881 -9.952 692 HA SER 88 HA SER 88 5.819 -11.456 -11.319 693 1HB SER 88 HB2 SER 88 6.927 -13.296 -13.446 694 2HB SER 88 HB1 SER 88 5.982 -11.856 -13.814 695 HG SER 88 HG SER 88 7.739 -10.762 -13.558 696 H SER 89 HN SER 89 3.651 -11.310 -11.453 697 HA SER 89 HA SER 89 1.985 -12.997 -12.923 698 1HB SER 89 HB2 SER 89 2.591 -14.647 -11.154 699 2HB SER 89 HB1 SER 89 1.888 -13.568 -9.951 700 HG SER 89 HG SER 89 -0.049 -14.152 -10.555 701 H ARG 90 HN ARG 90 1.884 -10.477 -13.084 702 HA ARG 90 HA ARG 90 0.854 -8.424 -12.520 703 1HB ARG 90 HB2 ARG 90 -1.516 -10.283 -12.750 704 2HB ARG 90 HB1 ARG 90 -1.493 -8.558 -13.082 705 1HG ARG 90 HG2 ARG 90 -1.152 -9.106 -15.206 706 2HG ARG 90 HG1 ARG 90 0.487 -9.551 -14.726 707 1HD ARG 90 HD2 ARG 90 -0.581 -11.344 -15.979 708 2HD ARG 90 HD1 ARG 90 -0.247 -11.841 -14.322 709 HE ARG 90 HE ARG 90 -2.697 -11.239 -13.941 710 1HH1 ARG 90 HH1 ARG 90 -1.471 -12.499 -16.966 711 2HH1 ARG 90 HH1 ARG 90 -2.984 -13.205 -17.420 712 1HH2 ARG 90 HH2 ARG 90 -4.673 -12.178 -14.542 713 2HH2 ARG 90 HH2 ARG 90 -4.798 -13.025 -16.047 714 H TYR 91 HN TYR 91 1.701 -9.456 -10.098 715 HA TYR 91 HA TYR 91 -0.351 -8.379 -8.321 716 1HB TYR 91 HB2 TYR 91 -0.893 -10.693 -8.181 717 2HB TYR 91 HB1 TYR 91 0.797 -11.165 -8.118 718 HD1 TYR 91 HD1 TYR 91 -2.098 -10.119 -6.194 719 HD2 TYR 91 HD2 TYR 91 2.088 -10.806 -6.023 720 HE1 TYR 91 HE1 TYR 91 -2.211 -10.217 -3.735 721 HE2 TYR 91 HE2 TYR 91 1.998 -10.908 -3.591 722 HH TYR 91 HH TYR 91 0.357 -9.908 -1.766 723 H PHE 92 HN PHE 92 0.514 -7.840 -6.171 724 HA PHE 92 HA PHE 92 3.399 -7.860 -5.874 725 1HB PHE 92 HB2 PHE 92 3.378 -5.344 -5.424 726 2HB PHE 92 HB1 PHE 92 3.306 -5.862 -7.103 727 HD1 PHE 92 HD1 PHE 92 1.366 -4.455 -4.310 728 HD2 PHE 92 HD2 PHE 92 1.409 -5.381 -8.466 729 HE1 PHE 92 HE1 PHE 92 -0.645 -3.075 -4.637 730 HE2 PHE 92 HE2 PHE 92 -0.606 -4.008 -8.794 731 HZ PHE 92 HZ PHE 92 -1.631 -2.851 -6.878 732 H VAL 93 HN VAL 93 4.068 -6.877 -3.747 733 HA VAL 93 HA VAL 93 1.928 -7.120 -1.739 734 HB VAL 93 HB VAL 93 3.516 -8.257 -0.224 735 1HG1 VAL 93 HG1 VAL 93 3.685 -10.262 -2.190 736 2HG1 VAL 93 HG1 VAL 93 2.234 -9.325 -2.541 737 3HG1 VAL 93 HG1 VAL 93 2.447 -10.054 -0.952 738 1HG2 VAL 93 HG2 VAL 93 5.518 -7.366 -1.691 739 2HG2 VAL 93 HG2 VAL 93 5.299 -8.907 -2.521 740 3HG2 VAL 93 HG2 VAL 93 5.647 -8.876 -0.792 741 H ILE 94 HN ILE 94 2.031 -5.784 0.022 742 HA ILE 94 HA ILE 94 4.365 -4.067 0.366 743 HB ILE 94 HB ILE 94 2.982 -2.034 0.525 744 1HG1 ILE 94 HG1 ILE 94 0.718 -2.638 -0.963 745 2HG1 ILE 94 HG1 ILE 94 0.837 -3.971 0.178 746 1HG2 ILE 94 HG2 ILE 94 2.361 -2.033 -2.033 747 2HG2 ILE 94 HG2 ILE 94 3.250 -3.554 -2.018 748 3HG2 ILE 94 HG2 ILE 94 4.041 -2.066 -1.501 749 1HD1 ILE 94 HD1 ILE 94 1.064 -1.145 1.120 750 2HD1 ILE 94 HD1 ILE 94 0.570 -2.585 2.010 751 3HD1 ILE 94 HD1 ILE 94 -0.514 -1.871 0.816 752 H ARG 95 HN ARG 95 4.377 -2.967 2.426 753 HA ARG 95 HA ARG 95 2.410 -3.745 4.399 754 1HB ARG 95 HB2 ARG 95 5.155 -4.397 5.270 755 2HB ARG 95 HB1 ARG 95 3.645 -5.210 5.627 756 1HG ARG 95 HG2 ARG 95 3.762 -6.554 3.775 757 2HG ARG 95 HG1 ARG 95 4.817 -5.448 2.900 758 1HD ARG 95 HD2 ARG 95 5.837 -7.613 3.789 759 2HD ARG 95 HD1 ARG 95 6.703 -6.116 4.082 760 HE ARG 95 HE ARG 95 5.376 -6.293 6.344 761 1HH1 ARG 95 HH1 ARG 95 6.953 -8.852 4.563 762 2HH1 ARG 95 HH1 ARG 95 7.315 -9.780 5.980 763 1HH2 ARG 95 HH2 ARG 95 5.854 -7.512 8.201 764 2HH2 ARG 95 HH2 ARG 95 6.693 -9.019 8.045 765 H ILE 96 HN ILE 96 3.398 -3.033 6.665 766 HA ILE 96 HA ILE 96 4.871 -0.521 6.374 767 HB ILE 96 HB ILE 96 2.342 -0.709 8.010 768 1HG1 ILE 96 HG1 ILE 96 2.710 0.724 5.378 769 2HG1 ILE 96 HG1 ILE 96 1.990 -0.879 5.512 770 1HG2 ILE 96 HG2 ILE 96 4.271 1.496 7.359 771 2HG2 ILE 96 HG2 ILE 96 3.708 0.950 8.939 772 3HG2 ILE 96 HG2 ILE 96 2.618 1.835 7.871 773 1HD1 ILE 96 HD1 ILE 96 0.941 1.746 6.415 774 2HD1 ILE 96 HD1 ILE 96 0.399 0.262 7.195 775 3HD1 ILE 96 HD1 ILE 96 0.153 0.491 5.463 776 H GLN 97 HN GLN 97 5.581 0.305 8.537 777 HA GLN 97 HA GLN 97 5.843 -1.842 10.535 778 1HB GLN 97 HB2 GLN 97 7.951 -0.755 8.886 779 2HB GLN 97 HB1 GLN 97 8.286 -0.470 10.579 780 1HG GLN 97 HG2 GLN 97 7.397 -3.140 10.264 781 2HG GLN 97 HG1 GLN 97 8.680 -2.821 9.104 782 1HE2 GLN 97 HE2 GLN 97 10.303 -3.943 10.026 783 2HE2 GLN 97 HE2 GLN 97 10.955 -3.610 11.592 784 H ASP 98 HN ASP 98 6.777 -0.976 12.661 785 HA ASP 98 HA ASP 98 6.598 1.809 13.220 786 1HB ASP 98 HB2 ASP 98 4.250 1.562 13.019 787 2HB ASP 98 HB1 ASP 98 4.246 0.066 13.937 788 H GLY 99 HN GLY 99 7.654 2.286 15.035 789 1HA GLY 99 HA2 GLY 99 8.614 2.050 17.107 790 2HA GLY 99 HA1 GLY 99 7.684 0.579 17.320 791 H THR 100 HN THR 100 9.017 -0.253 14.607 792 HA THR 100 HA THR 100 11.000 -1.155 13.867 793 HB THR 100 HB THR 100 12.046 0.400 15.796 794 HG1 THR 100 HG1 THR 100 13.693 -1.646 14.831 795 1HG2 THR 100 HG2 THR 100 13.637 -1.255 17.041 796 2HG2 THR 100 HG2 THR 100 12.282 -2.362 16.894 797 3HG2 THR 100 HG2 THR 100 12.076 -0.832 17.729 798 H GLY 101 HN GLY 101 8.627 -2.295 15.337 799 1HA GLY 101 HA2 GLY 101 9.560 -5.021 15.314 800 2HA GLY 101 HA1 GLY 101 9.123 -4.449 16.914 801 H ARG 102 HN ARG 102 7.207 -2.945 14.561 802 HA ARG 102 HA ARG 102 5.174 -5.054 14.686 803 1HB ARG 102 HB2 ARG 102 5.044 -2.625 16.143 804 2HB ARG 102 HB1 ARG 102 3.883 -2.492 14.828 805 1HG ARG 102 HG2 ARG 102 2.637 -4.307 15.572 806 2HG ARG 102 HG1 ARG 102 3.959 -4.936 16.555 807 1HD ARG 102 HD2 ARG 102 3.717 -3.021 18.077 808 2HD ARG 102 HD1 ARG 102 2.382 -2.420 17.097 809 HE ARG 102 HE ARG 102 2.047 -5.112 18.100 810 1HH1 ARG 102 HH1 ARG 102 1.479 -1.716 18.675 811 2HH1 ARG 102 HH1 ARG 102 0.159 -1.994 19.761 812 1HH2 ARG 102 HH2 ARG 102 0.311 -5.476 19.538 813 2HH2 ARG 102 HH2 ARG 102 -0.502 -4.123 20.252 814 H SER 103 HN SER 103 4.729 -5.582 12.656 815 HA SER 103 HA SER 103 4.285 -3.457 10.689 816 1HB SER 103 HB2 SER 103 5.621 -5.635 9.380 817 2HB SER 103 HB1 SER 103 6.106 -3.946 9.475 818 HG SER 103 HG SER 103 6.717 -6.036 11.285 819 H ALA 104 HN ALA 104 2.658 -3.894 9.228 820 HA ALA 104 HA ALA 104 1.407 -6.554 9.423 821 1HB ALA 104 HB1 ALA 104 -0.399 -5.350 9.991 822 2HB ALA 104 HB2 ALA 104 -0.485 -4.925 8.282 823 3HB ALA 104 HB3 ALA 104 0.315 -3.842 9.420 824 H PHE 105 HN PHE 105 1.238 -7.757 7.604 825 HA PHE 105 HA PHE 105 2.139 -6.532 5.079 826 1HB PHE 105 HB2 PHE 105 3.634 -8.272 5.619 827 2HB PHE 105 HB1 PHE 105 2.346 -9.322 6.192 828 HD1 PHE 105 HD1 PHE 105 0.864 -10.458 4.542 829 HD2 PHE 105 HD2 PHE 105 4.310 -8.274 3.352 830 HE1 PHE 105 HE1 PHE 105 0.842 -11.596 2.364 831 HE2 PHE 105 HE2 PHE 105 4.294 -9.403 1.179 832 HZ PHE 105 HZ PHE 105 2.556 -11.074 0.681 833 H ILE 106 HN ILE 106 0.898 -6.652 3.262 834 HA ILE 106 HA ILE 106 -1.560 -8.237 3.328 835 HB ILE 106 HB ILE 106 -1.711 -5.383 2.425 836 1HG1 ILE 106 HG1 ILE 106 -0.866 -5.458 4.805 837 2HG1 ILE 106 HG1 ILE 106 -2.404 -4.630 4.588 838 1HG2 ILE 106 HG2 ILE 106 -3.502 -7.609 2.678 839 2HG2 ILE 106 HG2 ILE 106 -3.758 -6.049 1.898 840 3HG2 ILE 106 HG2 ILE 106 -4.088 -6.241 3.620 841 1HD1 ILE 106 HD1 ILE 106 -2.585 -7.492 5.230 842 2HD1 ILE 106 HD1 ILE 106 -3.532 -6.128 5.821 843 3HD1 ILE 106 HD1 ILE 106 -1.937 -6.454 6.499 844 H GLY 107 HN GLY 107 -2.638 -8.276 1.166 845 1HA GLY 107 HA2 GLY 107 -0.608 -8.054 -0.965 846 2HA GLY 107 HA1 GLY 107 -1.844 -9.301 -0.912 847 H ILE 108 HN ILE 108 -1.071 -6.987 -2.794 848 HA ILE 108 HA ILE 108 -3.840 -6.107 -3.237 849 HB ILE 108 HB ILE 108 -1.419 -4.317 -3.466 850 1HG1 ILE 108 HG1 ILE 108 -3.701 -3.799 -1.601 851 2HG1 ILE 108 HG1 ILE 108 -2.460 -4.955 -1.131 852 1HG2 ILE 108 HG2 ILE 108 -2.865 -3.575 -5.118 853 2HG2 ILE 108 HG2 ILE 108 -3.295 -2.566 -3.739 854 3HG2 ILE 108 HG2 ILE 108 -4.302 -3.946 -4.170 855 1HD1 ILE 108 HD1 ILE 108 -0.893 -2.935 -1.882 856 2HD1 ILE 108 HD1 ILE 108 -1.529 -3.107 -0.247 857 3HD1 ILE 108 HD1 ILE 108 -2.320 -2.024 -1.392 858 H GLY 109 HN GLY 109 -4.445 -5.863 -5.389 859 1HA GLY 109 HA2 GLY 109 -2.578 -5.956 -7.543 860 2HA GLY 109 HA1 GLY 109 -3.312 -7.528 -7.268 861 H PHE 110 HN PHE 110 -3.918 -6.932 -9.587 862 HA PHE 110 HA PHE 110 -6.680 -6.046 -9.540 863 1HB PHE 110 HB2 PHE 110 -4.619 -4.695 -11.296 864 2HB PHE 110 HB1 PHE 110 -6.358 -4.423 -11.366 865 HD1 PHE 110 HD1 PHE 110 -7.449 -3.689 -9.099 866 HD2 PHE 110 HD2 PHE 110 -3.320 -3.267 -10.037 867 HE1 PHE 110 HE1 PHE 110 -7.245 -1.929 -7.402 868 HE2 PHE 110 HE2 PHE 110 -3.110 -1.500 -8.336 869 HZ PHE 110 HZ PHE 110 -5.076 -0.829 -7.015 870 H THR 111 HN THR 111 -7.895 -6.765 -11.293 871 HA THR 111 HA THR 111 -7.097 -9.187 -12.467 872 HB THR 111 HB THR 111 -9.118 -8.714 -14.024 873 HG1 THR 111 HG1 THR 111 -9.330 -6.582 -12.176 874 1HG2 THR 111 HG2 THR 111 -10.711 -9.348 -12.387 875 2HG2 THR 111 HG2 THR 111 -9.692 -8.748 -11.077 876 3HG2 THR 111 HG2 THR 111 -9.193 -10.161 -12.006 877 H ASP 112 HN ASP 112 -6.190 -6.048 -13.290 878 HA ASP 112 HA ASP 112 -4.984 -6.999 -15.742 879 1HB ASP 112 HB2 ASP 112 -7.398 -5.565 -15.859 880 2HB ASP 112 HB1 ASP 112 -6.144 -4.404 -16.283 881 H ARG 113 HN ARG 113 -3.743 -4.989 -16.751 882 HA ARG 113 HA ARG 113 -2.072 -3.993 -14.595 883 1HB ARG 113 HB2 ARG 113 -1.654 -4.749 -17.293 884 2HB ARG 113 HB1 ARG 113 -1.250 -3.042 -17.174 885 1HG ARG 113 HG2 ARG 113 0.504 -3.414 -15.743 886 2HG ARG 113 HG1 ARG 113 -0.173 -4.925 -15.132 887 1HD ARG 113 HD2 ARG 113 0.196 -5.645 -17.669 888 2HD ARG 113 HD1 ARG 113 1.442 -4.403 -17.565 889 HE ARG 113 HE ARG 113 1.484 -6.997 -16.352 890 1HH1 ARG 113 HH1 ARG 113 2.646 -3.718 -16.055 891 2HH1 ARG 113 HH1 ARG 113 4.047 -4.164 -15.140 892 1HH2 ARG 113 HH2 ARG 113 3.328 -7.584 -15.145 893 2HH2 ARG 113 HH2 ARG 113 4.434 -6.358 -14.624 894 H GLY 114 HN GLY 114 -4.879 -2.929 -15.618 895 1HA GLY 114 HA2 GLY 114 -4.358 -0.234 -16.394 896 2HA GLY 114 HA1 GLY 114 -5.904 -0.886 -15.871 897 H ASP 115 HN ASP 115 -6.016 -1.348 -13.444 898 HA ASP 115 HA ASP 115 -5.730 1.035 -12.042 899 1HB ASP 115 HB2 ASP 115 -6.669 -1.620 -11.491 900 2HB ASP 115 HB1 ASP 115 -5.676 -1.074 -10.143 901 H ALA 116 HN ALA 116 -3.628 -1.809 -12.119 902 HA ALA 116 HA ALA 116 -1.829 -1.222 -10.134 903 1HB ALA 116 HB1 ALA 116 -0.120 -2.328 -11.739 904 2HB ALA 116 HB2 ALA 116 -1.520 -2.573 -12.784 905 3HB ALA 116 HB3 ALA 116 -1.498 -3.268 -11.163 906 H PHE 117 HN PHE 117 -1.363 -0.312 -13.563 907 HA PHE 117 HA PHE 117 0.877 1.239 -13.314 908 1HB PHE 117 HB2 PHE 117 -0.116 0.748 -15.479 909 2HB PHE 117 HB1 PHE 117 -1.518 1.741 -15.094 910 HD1 PHE 117 HD1 PHE 117 -1.203 4.221 -14.807 911 HD2 PHE 117 HD2 PHE 117 1.817 1.687 -16.410 912 HE1 PHE 117 HE1 PHE 117 -0.082 6.181 -15.785 913 HE2 PHE 117 HE2 PHE 117 2.944 3.643 -17.390 914 HZ PHE 117 HZ PHE 117 1.994 5.893 -17.077 915 H ASP 118 HN ASP 118 -2.420 2.593 -13.347 916 HA ASP 118 HA ASP 118 -1.769 5.166 -12.579 917 1HB ASP 118 HB2 ASP 118 -4.185 3.577 -12.759 918 2HB ASP 118 HB1 ASP 118 -4.257 4.692 -11.396 919 H PHE 119 HN PHE 119 -2.543 2.398 -10.480 920 HA PHE 119 HA PHE 119 -2.443 3.824 -8.056 921 1HB PHE 119 HB2 PHE 119 -3.227 1.838 -7.376 922 2HB PHE 119 HB1 PHE 119 -2.721 1.079 -8.875 923 HD1 PHE 119 HD1 PHE 119 -0.607 -0.095 -9.018 924 HD2 PHE 119 HD2 PHE 119 -1.895 1.673 -5.374 925 HE1 PHE 119 HE1 PHE 119 1.078 -1.391 -7.807 926 HE2 PHE 119 HE2 PHE 119 -0.208 0.368 -4.144 927 HZ PHE 119 HZ PHE 119 1.282 -1.168 -5.362 928 H ASN 120 HN ASN 120 0.068 1.998 -9.796 929 HA ASN 120 HA ASN 120 2.148 2.291 -7.980 930 1HB ASN 120 HB2 ASN 120 1.837 1.379 -10.651 931 2HB ASN 120 HB1 ASN 120 3.199 2.496 -10.635 932 1HD2 ASN 120 HD2 ASN 120 1.949 -0.525 -9.489 933 2HD2 ASN 120 HD2 ASN 120 3.438 -1.139 -8.864 934 H VAL 121 HN VAL 121 1.796 4.260 -10.959 935 HA VAL 121 HA VAL 121 3.692 6.161 -10.450 936 HB VAL 121 HB VAL 121 2.164 7.797 -11.705 937 1HG1 VAL 121 HG1 VAL 121 2.629 5.230 -13.181 938 2HG1 VAL 121 HG1 VAL 121 3.970 6.237 -12.633 939 3HG1 VAL 121 HG1 VAL 121 2.781 6.888 -13.762 940 1HG2 VAL 121 HG2 VAL 121 0.549 5.430 -12.490 941 2HG2 VAL 121 HG2 VAL 121 0.137 7.143 -12.521 942 3HG2 VAL 121 HG2 VAL 121 0.140 6.266 -10.994 943 H SER 122 HN SER 122 0.512 5.930 -8.999 944 HA SER 122 HA SER 122 0.473 8.543 -7.882 945 1HB SER 122 HB2 SER 122 -1.505 7.916 -6.835 946 2HB SER 122 HB1 SER 122 -1.468 6.804 -8.203 947 HG SER 122 HG SER 122 -1.891 5.923 -5.999 948 H LEU 123 HN LEU 123 1.144 5.354 -6.433 949 HA LEU 123 HA LEU 123 1.854 6.230 -3.896 950 1HB LEU 123 HB2 LEU 123 1.502 3.859 -4.586 951 2HB LEU 123 HB1 LEU 123 3.065 3.896 -5.380 952 HG LEU 123 HG LEU 123 4.060 4.462 -3.106 953 1HD1 LEU 123 HD1 LEU 123 2.799 3.985 -1.147 954 2HD1 LEU 123 HD1 LEU 123 1.428 3.410 -2.096 955 3HD1 LEU 123 HD1 LEU 123 1.858 5.121 -2.113 956 1HD2 LEU 123 HD2 LEU 123 2.929 1.881 -4.001 957 2HD2 LEU 123 HD2 LEU 123 3.495 1.966 -2.333 958 3HD2 LEU 123 HD2 LEU 123 4.598 2.332 -3.659 959 H GLN 124 HN GLN 124 3.725 6.161 -6.863 960 HA GLN 124 HA GLN 124 6.239 6.696 -5.623 961 1HB GLN 124 HB2 GLN 124 5.609 5.778 -8.035 962 2HB GLN 124 HB1 GLN 124 5.733 7.482 -8.451 963 1HG GLN 124 HG2 GLN 124 7.951 7.432 -8.398 964 2HG GLN 124 HG1 GLN 124 7.972 6.597 -6.845 965 1HE2 GLN 124 HE2 GLN 124 7.598 4.257 -6.903 966 2HE2 GLN 124 HE2 GLN 124 8.198 3.357 -8.249 967 H ASP 125 HN ASP 125 4.040 8.749 -7.547 968 HA ASP 125 HA ASP 125 5.379 11.148 -7.332 969 1HB ASP 125 HB2 ASP 125 2.522 10.385 -7.690 970 2HB ASP 125 HB1 ASP 125 2.866 12.066 -7.293 971 H HIS 126 HN HIS 126 3.005 9.784 -5.086 972 HA HIS 126 HA HIS 126 3.098 11.946 -3.256 973 1HB HIS 126 HB2 HIS 126 1.965 9.174 -3.241 974 2HB HIS 126 HB1 HIS 126 2.017 10.104 -1.746 975 HD2 HIS 126 HD2 HIS 126 0.811 12.837 -2.291 976 HE1 HIS 126 HE1 HIS 126 -2.080 11.037 -4.821 977 HE2 HIS 126 HE2 HIS 126 -1.353 13.157 -3.670 978 H PHE 127 HN PHE 127 4.521 8.674 -3.178 979 HA PHE 127 HA PHE 127 5.701 8.657 -0.721 980 1HB PHE 127 HB2 PHE 127 5.756 6.846 -2.492 981 2HB PHE 127 HB1 PHE 127 7.139 7.680 -3.187 982 HD1 PHE 127 HD1 PHE 127 9.181 8.019 -1.683 983 HD2 PHE 127 HD2 PHE 127 6.019 5.323 -0.770 984 HE1 PHE 127 HE1 PHE 127 10.670 6.800 -0.151 985 HE2 PHE 127 HE2 PHE 127 7.501 4.101 0.768 986 HZ PHE 127 HZ PHE 127 9.829 4.838 1.078 987 H LYS 128 HN LYS 128 7.621 9.522 -3.606 988 HA LYS 128 HA LYS 128 9.423 11.053 -1.917 989 1HB LYS 128 HB2 LYS 128 9.547 10.558 -4.897 990 2HB LYS 128 HB1 LYS 128 10.820 11.243 -3.899 991 1HG LYS 128 HG2 LYS 128 11.249 9.198 -2.839 992 2HG LYS 128 HG1 LYS 128 9.729 8.498 -3.399 993 1HD LYS 128 HD2 LYS 128 11.208 7.523 -4.856 994 2HD LYS 128 HD1 LYS 128 10.750 8.963 -5.769 995 1HE LYS 128 HE2 LYS 128 13.124 8.965 -3.936 996 2HE LYS 128 HE1 LYS 128 13.246 8.367 -5.590 997 1HZ LYS 128 HZ1 LYS 128 12.390 10.540 -6.343 998 2HZ LYS 128 HZ2 LYS 128 13.871 10.659 -5.539 999 3HZ LYS 128 HZ3 LYS 128 12.444 11.098 -4.748 1000 H TRP 129 HN TRP 129 10.259 13.171 -3.012 1001 HA TRP 129 HA TRP 129 7.948 14.908 -3.253 1002 1HB TRP 129 HB2 TRP 129 10.906 15.534 -3.167 1003 2HB TRP 129 HB1 TRP 129 9.620 16.735 -3.159 1004 HD1 TRP 129 HD1 TRP 129 11.899 15.425 -0.821 1005 HE1 TRP 129 HE1 TRP 129 10.975 15.372 1.579 1006 HE3 TRP 129 HE3 TRP 129 6.916 15.918 -1.855 1007 HZ2 TRP 129 HZ2 TRP 129 8.470 15.520 2.866 1008 HZ3 TRP 129 HZ3 TRP 129 5.322 15.954 0.020 1009 HH2 TRP 129 HH2 TRP 129 6.085 15.758 2.331 1010 H VAL 130 HN VAL 130 7.040 15.079 -5.185 1011 HA VAL 130 HA VAL 130 8.729 15.767 -7.475 1012 HB VAL 130 HB VAL 130 6.519 13.733 -7.775 1013 1HG1 VAL 130 HG1 VAL 130 8.605 13.700 -9.765 1014 2HG1 VAL 130 HG1 VAL 130 7.896 15.308 -9.622 1015 3HG1 VAL 130 HG1 VAL 130 6.866 13.918 -9.962 1016 1HG2 VAL 130 HG2 VAL 130 9.373 12.923 -8.005 1017 2HG2 VAL 130 HG2 VAL 130 7.957 11.965 -7.585 1018 3HG2 VAL 130 HG2 VAL 130 8.668 13.051 -6.396 1019 H LYS 131 HN LYS 131 5.402 15.338 -6.299 1020 HA LYS 131 HA LYS 131 4.412 17.331 -8.161 1021 1HB LYS 131 HB2 LYS 131 3.301 15.105 -6.904 1022 2HB LYS 131 HB1 LYS 131 2.521 16.475 -6.127 1023 1HG LYS 131 HG2 LYS 131 1.094 16.354 -7.841 1024 2HG LYS 131 HG1 LYS 131 2.361 17.191 -8.740 1025 1HD LYS 131 HD2 LYS 131 3.189 14.639 -9.011 1026 2HD LYS 131 HD1 LYS 131 1.446 14.391 -8.906 1027 1HE LYS 131 HE2 LYS 131 1.420 14.831 -11.098 1028 2HE LYS 131 HE1 LYS 131 1.646 16.515 -10.629 1029 1HZ LYS 131 HZ1 LYS 131 3.434 16.363 -11.948 1030 2HZ LYS 131 HZ2 LYS 131 3.508 14.675 -11.860 1031 3HZ LYS 131 HZ3 LYS 131 4.165 15.615 -10.617 1032 H GLN 132 HN GLN 132 4.479 16.932 -4.610 1033 HA GLN 132 HA GLN 132 4.855 19.802 -4.305 1034 1HB GLN 132 HB2 GLN 132 2.511 18.360 -3.048 1035 2HB GLN 132 HB1 GLN 132 2.990 20.012 -2.696 1036 1HG GLN 132 HG2 GLN 132 2.281 19.182 -5.481 1037 2HG GLN 132 HG1 GLN 132 1.036 19.592 -4.306 1038 1HE2 GLN 132 HE2 GLN 132 1.416 21.707 -3.158 1039 2HE2 GLN 132 HE2 GLN 132 1.946 23.030 -4.132 1040 H GLU 133 HN GLU 133 5.859 20.360 -2.373 1041 HA GLU 133 HA GLU 133 6.873 18.097 -0.830 1042 1HB GLU 133 HB2 GLU 133 8.634 19.507 -0.081 1043 2HB GLU 133 HB1 GLU 133 8.448 19.798 -1.804 1044 1HG GLU 133 HG2 GLU 133 7.078 21.565 0.178 1045 2HG GLU 133 HG1 GLU 133 8.785 21.791 -0.200 Start of MODEL 3 1 1H MET 1 HT1 MET 1 -3.983 38.689 6.175 2 2H MET 1 HT2 MET 1 -2.472 38.064 5.660 3 3H MET 1 HT3 MET 1 -2.647 39.742 5.968 4 HA MET 1 HA MET 1 -1.482 38.669 7.726 5 1HB MET 1 HB2 MET 1 -3.200 39.298 9.562 6 2HB MET 1 HB1 MET 1 -2.656 40.550 8.456 7 1HG MET 1 HG2 MET 1 -4.729 40.043 7.092 8 2HG MET 1 HG1 MET 1 -5.283 39.100 8.472 9 1HE MET 1 HE1 MET 1 -5.578 41.067 11.262 10 2HE MET 1 HE2 MET 1 -6.177 39.707 10.311 11 3HE MET 1 HE3 MET 1 -7.128 41.188 10.431 12 H ALA 2 HN ALA 2 -1.476 36.383 7.012 13 HA ALA 2 HA ALA 2 -2.344 34.679 9.057 14 1HB ALA 2 HB1 ALA 2 -4.429 35.243 7.340 15 2HB ALA 2 HB2 ALA 2 -4.328 33.868 8.440 16 3HB ALA 2 HB3 ALA 2 -3.825 33.691 6.758 17 H ALA 3 HN ALA 3 -0.038 35.298 7.350 18 HA ALA 3 HA ALA 3 0.382 32.967 5.699 19 1HB ALA 3 HB1 ALA 3 1.887 35.450 6.298 20 2HB ALA 3 HB2 ALA 3 1.533 34.683 4.750 21 3HB ALA 3 HB3 ALA 3 2.815 34.043 5.779 22 H GLU 4 HN GLU 4 0.896 31.069 6.530 23 HA GLU 4 HA GLU 4 2.891 30.916 8.649 24 1HB GLU 4 HB2 GLU 4 0.438 30.913 9.552 25 2HB GLU 4 HB1 GLU 4 0.408 29.263 8.944 26 1HG GLU 4 HG2 GLU 4 2.149 28.598 10.400 27 2HG GLU 4 HG1 GLU 4 2.509 30.267 10.839 28 H LEU 5 HN LEU 5 3.593 28.628 9.010 29 HA LEU 5 HA LEU 5 3.142 26.871 6.716 30 1HB LEU 5 HB2 LEU 5 5.954 27.283 7.638 31 2HB LEU 5 HB1 LEU 5 5.371 26.672 6.105 32 HG LEU 5 HG LEU 5 4.490 29.357 6.300 33 1HD1 LEU 5 HD1 LEU 5 7.154 28.900 7.476 34 2HD1 LEU 5 HD1 LEU 5 6.006 30.214 7.732 35 3HD1 LEU 5 HD1 LEU 5 7.028 30.203 6.295 36 1HD2 LEU 5 HD2 LEU 5 6.666 28.063 4.668 37 2HD2 LEU 5 HD2 LEU 5 5.974 29.655 4.356 38 3HD2 LEU 5 HD2 LEU 5 4.964 28.215 4.228 39 H GLU 6 HN GLU 6 2.115 25.383 8.007 40 HA GLU 6 HA GLU 6 3.863 23.789 9.692 41 1HB GLU 6 HB2 GLU 6 1.468 25.272 10.712 42 2HB GLU 6 HB1 GLU 6 1.906 23.724 11.422 43 1HG GLU 6 HG2 GLU 6 4.211 24.695 11.781 44 2HG GLU 6 HG1 GLU 6 3.511 26.258 11.364 45 H TYR 7 HN TYR 7 3.536 22.405 7.832 46 HA TYR 7 HA TYR 7 1.389 20.552 8.280 47 1HB TYR 7 HB2 TYR 7 0.574 20.661 5.901 48 2HB TYR 7 HB1 TYR 7 0.144 22.053 6.890 49 HD1 TYR 7 HD1 TYR 7 2.272 20.856 4.145 50 HD2 TYR 7 HD2 TYR 7 1.052 24.231 6.427 51 HE1 TYR 7 HE1 TYR 7 3.304 22.346 2.482 52 HE2 TYR 7 HE2 TYR 7 2.078 25.731 4.772 53 HH TYR 7 HH TYR 7 3.997 25.507 3.025 54 H GLU 8 HN GLU 8 2.152 18.581 7.934 55 HA GLU 8 HA GLU 8 3.997 18.045 5.766 56 1HB GLU 8 HB2 GLU 8 5.762 17.143 7.138 57 2HB GLU 8 HB1 GLU 8 5.451 18.798 7.639 58 1HG GLU 8 HG2 GLU 8 3.829 17.501 9.332 59 2HG GLU 8 HG1 GLU 8 5.068 16.271 9.094 60 H SER 9 HN SER 9 3.162 16.307 4.841 61 HA SER 9 HA SER 9 2.610 13.939 6.384 62 1HB SER 9 HB2 SER 9 0.270 14.589 4.728 63 2HB SER 9 HB1 SER 9 0.345 13.936 6.362 64 HG SER 9 HG SER 9 0.521 15.979 7.174 65 H VAL 10 HN VAL 10 2.827 12.108 5.160 66 HA VAL 10 HA VAL 10 4.226 12.071 2.829 67 HB VAL 10 HB VAL 10 2.847 9.818 2.401 68 1HG1 VAL 10 HG1 VAL 10 4.796 8.954 2.986 69 2HG1 VAL 10 HG1 VAL 10 4.534 9.357 4.683 70 3HG1 VAL 10 HG1 VAL 10 5.263 10.540 3.597 71 1HG2 VAL 10 HG2 VAL 10 2.648 9.631 5.312 72 2HG2 VAL 10 HG2 VAL 10 1.543 9.077 4.064 73 3HG2 VAL 10 HG2 VAL 10 1.482 10.746 4.597 74 H LEU 11 HN LEU 11 0.674 11.720 3.029 75 HA LEU 11 HA LEU 11 -0.947 12.495 1.618 76 1HB LEU 11 HB2 LEU 11 0.758 14.336 1.096 77 2HB LEU 11 HB1 LEU 11 1.169 13.388 -0.320 78 HG LEU 11 HG LEU 11 -1.706 13.979 0.030 79 1HD1 LEU 11 HD1 LEU 11 0.049 16.158 -1.024 80 2HD1 LEU 11 HD1 LEU 11 -0.345 16.071 0.692 81 3HD1 LEU 11 HD1 LEU 11 -1.634 16.232 -0.501 82 1HD2 LEU 11 HD2 LEU 11 -0.616 14.707 -2.496 83 2HD2 LEU 11 HD2 LEU 11 -1.679 13.356 -2.099 84 3HD2 LEU 11 HD2 LEU 11 0.071 13.154 -2.021 85 H CYS 12 HN CYS 12 -1.465 10.293 1.327 86 HA CYS 12 HA CYS 12 -1.184 9.485 -1.420 87 1HB CYS 12 HB2 CYS 12 0.837 8.516 -0.494 88 2HB CYS 12 HB1 CYS 12 -0.093 7.730 0.765 89 HG CYS 12 HG CYS 12 0.233 5.902 -0.940 90 H VAL 13 HN VAL 13 -2.924 8.572 -2.146 91 HA VAL 13 HA VAL 13 -4.761 7.110 -0.416 92 HB VAL 13 HB VAL 13 -6.708 8.435 -1.070 93 1HG1 VAL 13 HG1 VAL 13 -6.017 9.171 0.982 94 2HG1 VAL 13 HG1 VAL 13 -5.961 10.670 0.064 95 3HG1 VAL 13 HG1 VAL 13 -4.478 9.776 0.381 96 1HG2 VAL 13 HG2 VAL 13 -6.619 9.696 -2.895 97 2HG2 VAL 13 HG2 VAL 13 -4.860 9.592 -2.947 98 3HG2 VAL 13 HG2 VAL 13 -5.640 10.854 -1.993 99 H LYS 14 HN LYS 14 -6.594 6.168 -1.710 100 HA LYS 14 HA LYS 14 -6.571 6.161 -4.517 101 1HB LYS 14 HB2 LYS 14 -5.665 3.946 -4.981 102 2HB LYS 14 HB1 LYS 14 -4.446 4.979 -4.250 103 1HG LYS 14 HG2 LYS 14 -5.657 3.664 -2.114 104 2HG LYS 14 HG1 LYS 14 -5.473 2.445 -3.365 105 1HD LYS 14 HD2 LYS 14 -3.074 3.907 -3.338 106 2HD LYS 14 HD1 LYS 14 -3.485 3.592 -1.651 107 1HE LYS 14 HE2 LYS 14 -3.996 1.185 -2.901 108 2HE LYS 14 HE1 LYS 14 -2.551 1.774 -3.718 109 1HZ LYS 14 HZ1 LYS 14 -1.626 0.700 -1.957 110 2HZ LYS 14 HZ2 LYS 14 -2.918 1.021 -0.916 111 3HZ LYS 14 HZ3 LYS 14 -1.800 2.237 -1.273 112 HA PRO 15 HA PRO 15 -10.410 4.592 -2.706 113 1HB PRO 15 HB2 PRO 15 -12.027 5.637 -4.594 114 2HB PRO 15 HB1 PRO 15 -11.402 6.578 -3.236 115 1HG PRO 15 HG2 PRO 15 -10.455 6.468 -6.071 116 2HG PRO 15 HG1 PRO 15 -10.629 7.870 -5.000 117 1HD PRO 15 HD2 PRO 15 -8.245 6.655 -5.488 118 2HD PRO 15 HD1 PRO 15 -8.619 7.487 -3.966 119 H ASP 16 HN ASP 16 -9.082 4.160 -5.883 120 HA ASP 16 HA ASP 16 -10.875 1.869 -6.352 121 1HB ASP 16 HB2 ASP 16 -10.103 2.079 -8.741 122 2HB ASP 16 HB1 ASP 16 -11.032 3.451 -8.146 123 H VAL 17 HN VAL 17 -9.643 0.426 -5.008 124 HA VAL 17 HA VAL 17 -7.402 -0.714 -6.445 125 HB VAL 17 HB VAL 17 -6.195 -0.915 -4.119 126 1HG1 VAL 17 HG1 VAL 17 -4.728 0.139 -5.409 127 2HG1 VAL 17 HG1 VAL 17 -5.438 1.660 -4.884 128 3HG1 VAL 17 HG1 VAL 17 -6.011 0.887 -6.356 129 1HG2 VAL 17 HG2 VAL 17 -8.110 0.314 -3.009 130 2HG2 VAL 17 HG2 VAL 17 -7.509 1.768 -3.805 131 3HG2 VAL 17 HG2 VAL 17 -6.489 0.907 -2.653 132 H SER 18 HN SER 18 -6.712 -2.823 -5.621 133 HA SER 18 HA SER 18 -8.859 -4.179 -4.132 134 1HB SER 18 HB2 SER 18 -8.222 -4.621 -6.778 135 2HB SER 18 HB1 SER 18 -7.304 -5.880 -5.952 136 HG SER 18 HG SER 18 -9.164 -6.701 -5.123 137 H VAL 19 HN VAL 19 -8.240 -5.236 -2.372 138 HA VAL 19 HA VAL 19 -5.370 -5.497 -1.825 139 HB VAL 19 HB VAL 19 -7.351 -6.144 0.271 140 1HG1 VAL 19 HG1 VAL 19 -5.695 -4.534 1.496 141 2HG1 VAL 19 HG1 VAL 19 -4.679 -4.857 0.098 142 3HG1 VAL 19 HG1 VAL 19 -5.223 -6.187 1.114 143 1HG2 VAL 19 HG2 VAL 19 -8.590 -4.314 -0.135 144 2HG2 VAL 19 HG2 VAL 19 -7.336 -3.553 -1.114 145 3HG2 VAL 19 HG2 VAL 19 -7.252 -3.468 0.644 146 H TYR 20 HN TYR 20 -4.844 -7.483 -0.400 147 HA TYR 20 HA TYR 20 -6.401 -9.831 -1.193 148 1HB TYR 20 HB2 TYR 20 -3.525 -9.299 -1.802 149 2HB TYR 20 HB1 TYR 20 -4.002 -10.945 -1.401 150 HD1 TYR 20 HD1 TYR 20 -4.935 -12.334 -3.041 151 HD2 TYR 20 HD2 TYR 20 -4.780 -8.139 -3.718 152 HE1 TYR 20 HE1 TYR 20 -5.665 -12.691 -5.361 153 HE2 TYR 20 HE2 TYR 20 -5.514 -8.483 -6.040 154 HH TYR 20 HH TYR 20 -6.790 -11.406 -7.154 155 H ARG 21 HN ARG 21 -6.193 -11.625 0.231 156 HA ARG 21 HA ARG 21 -4.933 -10.977 2.816 157 1HB ARG 21 HB2 ARG 21 -7.584 -11.043 2.491 158 2HB ARG 21 HB1 ARG 21 -7.312 -12.761 2.744 159 1HG ARG 21 HG2 ARG 21 -7.495 -12.285 4.913 160 2HG ARG 21 HG1 ARG 21 -5.854 -11.652 4.769 161 1HD ARG 21 HD2 ARG 21 -6.746 -9.425 4.321 162 2HD ARG 21 HD1 ARG 21 -8.389 -10.049 4.437 163 HE ARG 21 HE ARG 21 -7.069 -10.672 6.813 164 1HH1 ARG 21 HH1 ARG 21 -8.161 -7.850 5.074 165 2HH1 ARG 21 HH1 ARG 21 -8.365 -6.894 6.503 166 1HH2 ARG 21 HH2 ARG 21 -7.336 -9.414 8.695 167 2HH2 ARG 21 HH2 ARG 21 -7.897 -7.781 8.559 168 H ILE 22 HN ILE 22 -3.312 -12.325 3.246 169 HA ILE 22 HA ILE 22 -3.571 -15.123 2.356 170 HB ILE 22 HB ILE 22 -0.962 -13.635 2.637 171 1HG1 ILE 22 HG1 ILE 22 -2.189 -14.415 0.011 172 2HG1 ILE 22 HG1 ILE 22 -2.645 -12.898 0.776 173 1HG2 ILE 22 HG2 ILE 22 -1.758 -16.389 1.829 174 2HG2 ILE 22 HG2 ILE 22 -0.400 -15.851 2.816 175 3HG2 ILE 22 HG2 ILE 22 -0.350 -15.654 1.064 176 1HD1 ILE 22 HD1 ILE 22 -0.860 -11.942 -0.084 177 2HD1 ILE 22 HD1 ILE 22 -0.380 -13.473 -0.817 178 3HD1 ILE 22 HD1 ILE 22 0.176 -13.057 0.804 179 HA PRO 23 HA PRO 23 -3.494 -14.773 7.084 180 1HB PRO 23 HB2 PRO 23 -4.784 -17.329 6.985 181 2HB PRO 23 HB1 PRO 23 -5.462 -15.790 7.513 182 1HG PRO 23 HG2 PRO 23 -5.724 -17.168 4.920 183 2HG PRO 23 HG1 PRO 23 -6.792 -15.973 5.673 184 1HD PRO 23 HD2 PRO 23 -5.237 -15.383 3.548 185 2HD PRO 23 HD1 PRO 23 -5.607 -14.188 4.809 186 HA PRO 24 HA PRO 24 0.181 -17.367 6.782 187 1HB PRO 24 HB2 PRO 24 1.114 -16.835 9.279 188 2HB PRO 24 HB1 PRO 24 1.313 -15.725 7.919 189 1HG PRO 24 HG2 PRO 24 -0.708 -15.672 10.126 190 2HG PRO 24 HG1 PRO 24 0.214 -14.332 9.419 191 1HD PRO 24 HD2 PRO 24 -2.359 -14.832 8.757 192 2HD PRO 24 HD1 PRO 24 -1.194 -14.157 7.603 193 H ARG 25 HN ARG 25 -1.403 -19.187 6.763 194 HA ARG 25 HA ARG 25 -1.222 -20.650 9.297 195 1HB ARG 25 HB2 ARG 25 -3.574 -19.637 8.451 196 2HB ARG 25 HB1 ARG 25 -3.603 -21.187 7.621 197 1HG ARG 25 HG2 ARG 25 -4.745 -21.247 9.795 198 2HG ARG 25 HG1 ARG 25 -3.379 -22.363 9.717 199 1HD ARG 25 HD2 ARG 25 -2.105 -20.258 10.727 200 2HD ARG 25 HD1 ARG 25 -3.725 -19.873 11.302 201 HE ARG 25 HE ARG 25 -3.507 -21.531 12.843 202 1HH1 ARG 25 HH1 ARG 25 -1.217 -22.129 10.279 203 2HH1 ARG 25 HH1 ARG 25 -0.475 -23.468 11.084 204 1HH2 ARG 25 HH2 ARG 25 -2.529 -23.292 13.901 205 2HH2 ARG 25 HH2 ARG 25 -1.222 -24.130 13.135 206 H ALA 26 HN ALA 26 0.648 -20.958 7.368 207 HA ALA 26 HA ALA 26 0.064 -23.665 6.381 208 1HB ALA 26 HB1 ALA 26 0.036 -21.733 4.613 209 2HB ALA 26 HB2 ALA 26 0.835 -23.264 4.251 210 3HB ALA 26 HB3 ALA 26 1.790 -21.866 4.744 211 H SER 27 HN SER 27 2.117 -24.864 5.839 212 HA SER 27 HA SER 27 4.020 -24.436 7.987 213 1HB SER 27 HB2 SER 27 4.563 -26.618 6.085 214 2HB SER 27 HB1 SER 27 4.449 -26.654 7.845 215 HG SER 27 HG SER 27 2.108 -26.467 7.493 216 H ASN 28 HN ASN 28 4.147 -22.386 6.150 217 HA ASN 28 HA ASN 28 6.902 -22.530 5.358 218 1HB ASN 28 HB2 ASN 28 4.695 -22.496 3.314 219 2HB ASN 28 HB1 ASN 28 6.259 -21.766 2.963 220 1HD2 ASN 28 HD2 ASN 28 8.158 -23.166 3.235 221 2HD2 ASN 28 HD2 ASN 28 8.005 -24.841 2.841 222 H ARG 29 HN ARG 29 7.820 -20.560 5.475 223 HA ARG 29 HA ARG 29 6.561 -18.403 6.655 224 1HB ARG 29 HB2 ARG 29 8.980 -18.388 4.842 225 2HB ARG 29 HB1 ARG 29 8.501 -17.057 5.888 226 1HG ARG 29 HG2 ARG 29 8.635 -18.827 7.777 227 2HG ARG 29 HG1 ARG 29 9.612 -19.730 6.617 228 1HD ARG 29 HD2 ARG 29 10.473 -16.999 6.684 229 2HD ARG 29 HD1 ARG 29 10.429 -17.645 8.324 230 HE ARG 29 HE ARG 29 11.683 -19.510 6.646 231 1HH1 ARG 29 HH1 ARG 29 12.235 -16.347 8.010 232 2HH1 ARG 29 HH1 ARG 29 13.958 -16.514 8.018 233 1HH2 ARG 29 HH2 ARG 29 13.948 -19.733 6.653 234 2HH2 ARG 29 HH2 ARG 29 14.932 -18.436 7.247 235 H GLY 30 HN GLY 30 7.099 -19.032 3.220 236 1HA GLY 30 HA2 GLY 30 4.795 -17.531 2.471 237 2HA GLY 30 HA1 GLY 30 6.271 -16.643 2.123 238 H TYR 31 HN TYR 31 5.143 -16.948 -0.082 239 HA TYR 31 HA TYR 31 6.684 -18.843 -1.543 240 1HB TYR 31 HB2 TYR 31 4.326 -19.895 -0.527 241 2HB TYR 31 HB1 TYR 31 3.904 -19.458 -2.179 242 HD1 TYR 31 HD1 TYR 31 4.425 -20.910 -3.922 243 HD2 TYR 31 HD2 TYR 31 6.490 -21.307 -0.223 244 HE1 TYR 31 HE1 TYR 31 5.486 -22.973 -4.739 245 HE2 TYR 31 HE2 TYR 31 7.557 -23.366 -1.030 246 HH TYR 31 HH TYR 31 7.686 -24.859 -2.685 247 H ARG 32 HN ARG 32 7.010 -18.099 -3.524 248 HA ARG 32 HA ARG 32 5.981 -15.606 -4.323 249 1HB ARG 32 HB2 ARG 32 7.125 -16.175 -6.518 250 2HB ARG 32 HB1 ARG 32 8.144 -16.206 -5.088 251 1HG ARG 32 HG2 ARG 32 7.697 -18.713 -5.028 252 2HG ARG 32 HG1 ARG 32 7.073 -18.516 -6.665 253 1HD ARG 32 HD2 ARG 32 9.202 -17.610 -7.392 254 2HD ARG 32 HD1 ARG 32 9.828 -17.717 -5.748 255 HE ARG 32 HE ARG 32 9.240 -19.980 -7.524 256 1HH1 ARG 32 HH1 ARG 32 10.679 -18.734 -4.590 257 2HH1 ARG 32 HH1 ARG 32 11.530 -20.199 -4.245 258 1HH2 ARG 32 HH2 ARG 32 10.351 -21.903 -7.057 259 2HH2 ARG 32 HH2 ARG 32 11.343 -21.997 -5.639 260 H ALA 33 HN ALA 33 4.854 -15.164 -6.366 261 HA ALA 33 HA ALA 33 2.383 -16.512 -6.474 262 1HB ALA 33 HB1 ALA 33 3.608 -14.500 -8.335 263 2HB ALA 33 HB2 ALA 33 2.421 -14.225 -7.060 264 3HB ALA 33 HB3 ALA 33 1.968 -15.124 -8.507 265 H SER 34 HN SER 34 5.261 -17.664 -7.588 266 HA SER 34 HA SER 34 4.741 -18.602 -10.164 267 1HB SER 34 HB2 SER 34 6.364 -19.844 -7.932 268 2HB SER 34 HB1 SER 34 6.354 -20.448 -9.583 269 HG SER 34 HG SER 34 7.194 -17.889 -8.709 270 H ASP 35 HN ASP 35 3.927 -19.916 -7.004 271 HA ASP 35 HA ASP 35 1.880 -21.578 -8.266 272 1HB ASP 35 HB2 ASP 35 4.326 -22.586 -7.114 273 2HB ASP 35 HB1 ASP 35 2.937 -23.189 -6.214 274 H TRP 36 HN TRP 36 2.190 -19.157 -6.315 275 HA TRP 36 HA TRP 36 0.979 -20.124 -3.894 276 1HB TRP 36 HB2 TRP 36 2.266 -18.237 -3.524 277 2HB TRP 36 HB1 TRP 36 1.743 -17.455 -5.003 278 HD1 TRP 36 HD1 TRP 36 0.363 -18.229 -1.457 279 HE1 TRP 36 HE1 TRP 36 -1.276 -16.341 -0.838 280 HE3 TRP 36 HE3 TRP 36 0.391 -15.654 -5.867 281 HZ2 TRP 36 HZ2 TRP 36 -2.389 -14.061 -2.062 282 HZ3 TRP 36 HZ3 TRP 36 -0.995 -13.628 -6.066 283 HH2 TRP 36 HH2 TRP 36 -2.363 -12.854 -4.198 284 H LYS 37 HN LYS 37 -0.236 -17.927 -6.467 285 HA LYS 37 HA LYS 37 -2.346 -17.523 -7.225 286 1HB LYS 37 HB2 LYS 37 -2.120 -19.910 -7.864 287 2HB LYS 37 HB1 LYS 37 -2.839 -20.371 -6.328 288 1HG LYS 37 HG2 LYS 37 -4.583 -18.522 -7.589 289 2HG LYS 37 HG1 LYS 37 -4.125 -19.742 -8.775 290 1HD LYS 37 HD2 LYS 37 -4.723 -20.916 -6.191 291 2HD LYS 37 HD1 LYS 37 -6.079 -19.976 -6.817 292 1HE LYS 37 HE2 LYS 37 -5.871 -21.227 -8.960 293 2HE LYS 37 HE1 LYS 37 -4.640 -22.235 -8.201 294 1HZ LYS 37 HZ1 LYS 37 -6.818 -22.227 -6.490 295 2HZ LYS 37 HZ2 LYS 37 -6.272 -23.507 -7.450 296 3HZ LYS 37 HZ3 LYS 37 -7.453 -22.450 -8.043 297 H LEU 38 HN LEU 38 -4.568 -17.102 -6.579 298 HA LEU 38 HA LEU 38 -5.574 -17.684 -4.024 299 1HB LEU 38 HB2 LEU 38 -3.619 -16.074 -3.553 300 2HB LEU 38 HB1 LEU 38 -4.646 -14.834 -4.245 301 HG LEU 38 HG LEU 38 -6.317 -15.220 -2.501 302 1HD1 LEU 38 HD1 LEU 38 -6.078 -16.778 -0.774 303 2HD1 LEU 38 HD1 LEU 38 -4.380 -17.066 -1.149 304 3HD1 LEU 38 HD1 LEU 38 -5.636 -17.673 -2.225 305 1HD2 LEU 38 HD2 LEU 38 -5.225 -13.988 -0.909 306 2HD2 LEU 38 HD2 LEU 38 -4.119 -13.790 -2.260 307 3HD2 LEU 38 HD2 LEU 38 -3.768 -14.965 -0.998 308 H ASP 39 HN ASP 39 -7.704 -17.570 -4.266 309 HA ASP 39 HA ASP 39 -8.837 -15.418 -5.919 310 1HB ASP 39 HB2 ASP 39 -10.515 -17.122 -6.766 311 2HB ASP 39 HB1 ASP 39 -8.873 -17.291 -7.384 312 H GLN 40 HN GLN 40 -8.853 -17.026 -2.967 313 HA GLN 40 HA GLN 40 -11.643 -16.840 -2.403 314 1HB GLN 40 HB2 GLN 40 -9.304 -17.161 -0.516 315 2HB GLN 40 HB1 GLN 40 -10.992 -17.377 -0.090 316 1HG GLN 40 HG2 GLN 40 -10.787 -19.090 -2.156 317 2HG GLN 40 HG1 GLN 40 -9.144 -19.154 -1.519 318 1HE2 GLN 40 HE2 GLN 40 -9.243 -21.177 -0.693 319 2HE2 GLN 40 HE2 GLN 40 -10.257 -21.631 0.631 320 HA PRO 41 HA PRO 41 -10.495 -12.976 0.170 321 1HB PRO 41 HB2 PRO 41 -7.999 -11.986 0.119 322 2HB PRO 41 HB1 PRO 41 -8.453 -13.312 1.193 323 1HG PRO 41 HG2 PRO 41 -7.120 -13.461 -1.498 324 2HG PRO 41 HG1 PRO 41 -6.645 -14.243 0.020 325 1HD PRO 41 HD2 PRO 41 -8.036 -15.570 -1.850 326 2HD PRO 41 HD1 PRO 41 -8.317 -15.828 -0.116 327 H ASP 42 HN ASP 42 -8.034 -11.296 -1.318 328 HA ASP 42 HA ASP 42 -8.016 -9.606 -2.820 329 1HB ASP 42 HB2 ASP 42 -8.044 -11.546 -4.372 330 2HB ASP 42 HB1 ASP 42 -9.800 -11.429 -4.433 331 H TRP 43 HN TRP 43 -9.483 -8.743 -0.964 332 HA TRP 43 HA TRP 43 -12.238 -8.329 -1.651 333 1HB TRP 43 HB2 TRP 43 -12.098 -6.702 0.371 334 2HB TRP 43 HB1 TRP 43 -11.976 -8.430 0.648 335 HD1 TRP 43 HD1 TRP 43 -9.282 -9.324 0.871 336 HE1 TRP 43 HE1 TRP 43 -7.397 -8.192 2.202 337 HE3 TRP 43 HE3 TRP 43 -11.224 -4.602 1.177 338 HZ2 TRP 43 HZ2 TRP 43 -6.812 -5.652 3.248 339 HZ3 TRP 43 HZ3 TRP 43 -9.932 -2.880 2.371 340 HH2 TRP 43 HH2 TRP 43 -7.773 -3.403 3.384 341 H THR 44 HN THR 44 -13.221 -6.168 -1.800 342 HA THR 44 HA THR 44 -11.485 -4.368 -3.357 343 HB THR 44 HB THR 44 -13.308 -5.313 -4.673 344 HG1 THR 44 HG1 THR 44 -13.128 -3.397 -5.514 345 1HG2 THR 44 HG2 THR 44 -15.211 -5.793 -3.624 346 2HG2 THR 44 HG2 THR 44 -15.614 -4.096 -3.885 347 3HG2 THR 44 HG2 THR 44 -14.917 -4.611 -2.350 348 H GLY 45 HN GLY 45 -11.100 -2.375 -2.623 349 1HA GLY 45 HA2 GLY 45 -12.965 -0.782 -1.218 350 2HA GLY 45 HA1 GLY 45 -11.857 -1.525 -0.073 351 H ARG 46 HN ARG 46 -11.720 1.065 0.041 352 HA ARG 46 HA ARG 46 -9.613 1.962 -1.795 353 1HB ARG 46 HB2 ARG 46 -10.110 4.220 -1.037 354 2HB ARG 46 HB1 ARG 46 -11.568 3.426 -1.618 355 1HG ARG 46 HG2 ARG 46 -11.955 2.862 0.864 356 2HG ARG 46 HG1 ARG 46 -10.787 4.144 1.174 357 1HD ARG 46 HD2 ARG 46 -13.136 4.560 -0.631 358 2HD ARG 46 HD1 ARG 46 -13.282 4.745 1.114 359 HE ARG 46 HE ARG 46 -11.281 6.285 -0.385 360 1HH1 ARG 46 HH1 ARG 46 -14.107 6.180 1.682 361 2HH1 ARG 46 HH1 ARG 46 -14.131 7.892 1.928 362 1HH2 ARG 46 HH2 ARG 46 -11.327 8.522 -0.056 363 2HH2 ARG 46 HH2 ARG 46 -12.558 9.221 0.941 364 H LEU 47 HN LEU 47 -7.688 2.838 -1.066 365 HA LEU 47 HA LEU 47 -7.087 2.451 1.785 366 1HB LEU 47 HB2 LEU 47 -5.538 1.487 -0.603 367 2HB LEU 47 HB1 LEU 47 -4.764 1.734 0.951 368 HG LEU 47 HG LEU 47 -6.786 0.180 1.749 369 1HD1 LEU 47 HD1 LEU 47 -6.198 -1.197 -0.803 370 2HD1 LEU 47 HD1 LEU 47 -7.354 0.134 -0.850 371 3HD1 LEU 47 HD1 LEU 47 -7.640 -1.247 0.210 372 1HD2 LEU 47 HD2 LEU 47 -4.342 -1.005 0.452 373 2HD2 LEU 47 HD2 LEU 47 -5.248 -1.622 1.833 374 3HD2 LEU 47 HD2 LEU 47 -4.298 -0.146 1.992 375 H ARG 48 HN ARG 48 -5.668 3.918 2.687 376 HA ARG 48 HA ARG 48 -4.256 5.802 1.050 377 1HB ARG 48 HB2 ARG 48 -5.363 7.805 1.816 378 2HB ARG 48 HB1 ARG 48 -6.525 6.763 1.010 379 1HG ARG 48 HG2 ARG 48 -7.840 6.904 2.784 380 2HG ARG 48 HG1 ARG 48 -6.599 6.101 3.749 381 1HD ARG 48 HD2 ARG 48 -6.987 8.100 4.888 382 2HD ARG 48 HD1 ARG 48 -5.531 8.420 3.953 383 HE ARG 48 HE ARG 48 -8.216 9.325 3.130 384 1HH1 ARG 48 HH1 ARG 48 -4.773 9.855 3.463 385 2HH1 ARG 48 HH1 ARG 48 -4.826 11.436 2.761 386 1HH2 ARG 48 HH2 ARG 48 -8.276 11.395 2.195 387 2HH2 ARG 48 HH2 ARG 48 -6.815 12.312 2.043 388 H ILE 49 HN ILE 49 -2.993 7.330 2.330 389 HA ILE 49 HA ILE 49 -2.621 6.541 5.121 390 HB ILE 49 HB ILE 49 -0.225 6.356 4.886 391 1HG1 ILE 49 HG1 ILE 49 -0.274 6.378 1.931 392 2HG1 ILE 49 HG1 ILE 49 -0.425 7.948 2.712 393 1HG2 ILE 49 HG2 ILE 49 -0.259 4.217 4.128 394 2HG2 ILE 49 HG2 ILE 49 -1.063 4.654 2.621 395 3HG2 ILE 49 HG2 ILE 49 -2.001 4.497 4.105 396 1HD1 ILE 49 HD1 ILE 49 1.849 7.718 2.359 397 2HD1 ILE 49 HD1 ILE 49 1.849 6.012 2.794 398 3HD1 ILE 49 HD1 ILE 49 1.656 7.239 4.045 399 H THR 50 HN THR 50 -1.574 8.122 6.418 400 HA THR 50 HA THR 50 -0.929 10.697 5.271 401 HB THR 50 HB THR 50 -2.881 11.039 7.428 402 HG1 THR 50 HG1 THR 50 -4.579 10.191 6.505 403 1HG2 THR 50 HG2 THR 50 -2.393 13.008 6.351 404 2HG2 THR 50 HG2 THR 50 -3.910 12.530 5.590 405 3HG2 THR 50 HG2 THR 50 -2.380 12.258 4.754 406 H SER 51 HN SER 51 -0.171 12.239 6.952 407 HA SER 51 HA SER 51 0.593 11.009 9.485 408 1HB SER 51 HB2 SER 51 2.815 12.470 8.212 409 2HB SER 51 HB1 SER 51 2.835 10.982 9.157 410 HG SER 51 HG SER 51 1.920 11.152 6.481 411 H LYS 52 HN LYS 52 0.417 12.386 11.134 412 HA LYS 52 HA LYS 52 -0.571 14.993 10.792 413 1HB LYS 52 HB2 LYS 52 -0.848 13.581 12.853 414 2HB LYS 52 HB1 LYS 52 0.832 13.915 13.249 415 1HG LYS 52 HG2 LYS 52 -1.063 16.175 12.788 416 2HG LYS 52 HG1 LYS 52 -1.071 15.316 14.328 417 1HD LYS 52 HD2 LYS 52 1.005 16.075 14.918 418 2HD LYS 52 HD1 LYS 52 1.545 16.229 13.249 419 1HE LYS 52 HE2 LYS 52 0.845 18.351 13.094 420 2HE LYS 52 HE1 LYS 52 -0.670 18.003 13.927 421 1HZ LYS 52 HZ1 LYS 52 1.401 19.425 14.946 422 2HZ LYS 52 HZ2 LYS 52 1.616 17.907 15.659 423 3HZ LYS 52 HZ3 LYS 52 0.150 18.729 15.849 424 H GLY 53 HN GLY 53 2.577 14.046 12.183 425 1HA GLY 53 HA2 GLY 53 4.014 15.921 10.590 426 2HA GLY 53 HA1 GLY 53 3.777 16.521 12.220 427 H LYS 54 HN LYS 54 4.307 14.689 13.932 428 HA LYS 54 HA LYS 54 7.072 13.991 13.436 429 1HB LYS 54 HB2 LYS 54 5.536 13.272 15.918 430 2HB LYS 54 HB1 LYS 54 7.257 13.578 15.742 431 1HG LYS 54 HG2 LYS 54 5.653 15.882 15.009 432 2HG LYS 54 HG1 LYS 54 5.358 15.352 16.665 433 1HD LYS 54 HD2 LYS 54 8.061 15.210 16.558 434 2HD LYS 54 HD1 LYS 54 7.757 16.555 15.455 435 1HE LYS 54 HE2 LYS 54 6.892 16.308 18.331 436 2HE LYS 54 HE1 LYS 54 8.064 17.442 17.659 437 1HZ LYS 54 HZ1 LYS 54 5.772 17.873 16.222 438 2HZ LYS 54 HZ2 LYS 54 6.372 18.848 17.467 439 3HZ LYS 54 HZ3 LYS 54 5.223 17.654 17.808 440 H ILE 55 HN ILE 55 3.990 12.404 13.531 441 HA ILE 55 HA ILE 55 5.334 9.843 12.978 442 HB ILE 55 HB ILE 55 3.456 8.683 14.107 443 1HG1 ILE 55 HG1 ILE 55 2.339 10.397 15.855 444 2HG1 ILE 55 HG1 ILE 55 2.583 11.493 14.501 445 1HG2 ILE 55 HG2 ILE 55 5.696 9.851 15.220 446 2HG2 ILE 55 HG2 ILE 55 4.693 8.605 15.963 447 3HG2 ILE 55 HG2 ILE 55 4.399 10.307 16.325 448 1HD1 ILE 55 HD1 ILE 55 1.283 10.048 13.064 449 2HD1 ILE 55 HD1 ILE 55 0.358 10.489 14.499 450 3HD1 ILE 55 HD1 ILE 55 1.087 8.888 14.378 451 H ALA 56 HN ALA 56 3.452 8.245 12.155 452 HA ALA 56 HA ALA 56 1.761 9.675 10.233 453 1HB ALA 56 HB1 ALA 56 4.122 8.169 9.582 454 2HB ALA 56 HB2 ALA 56 3.081 9.127 8.531 455 3HB ALA 56 HB3 ALA 56 2.700 7.435 8.843 456 H TYR 57 HN TYR 57 -0.117 8.595 9.625 457 HA TYR 57 HA TYR 57 -0.593 5.943 10.774 458 1HB TYR 57 HB2 TYR 57 -2.972 6.883 11.353 459 2HB TYR 57 HB1 TYR 57 -1.636 7.121 12.474 460 HD1 TYR 57 HD1 TYR 57 -4.058 8.724 10.322 461 HD2 TYR 57 HD2 TYR 57 -0.503 9.334 12.564 462 HE1 TYR 57 HE1 TYR 57 -4.438 11.152 10.249 463 HE2 TYR 57 HE2 TYR 57 -0.868 11.759 12.502 464 HH TYR 57 HH TYR 57 -2.139 13.392 10.907 465 H ILE 58 HN ILE 58 -1.859 4.640 9.547 466 HA ILE 58 HA ILE 58 -2.853 5.805 7.037 467 HB ILE 58 HB ILE 58 -2.607 3.641 6.011 468 1HG1 ILE 58 HG1 ILE 58 -1.244 1.963 7.630 469 2HG1 ILE 58 HG1 ILE 58 -2.271 2.756 8.818 470 1HG2 ILE 58 HG2 ILE 58 -0.167 3.385 6.181 471 2HG2 ILE 58 HG2 ILE 58 -0.178 4.406 7.617 472 3HG2 ILE 58 HG2 ILE 58 -0.660 5.071 6.062 473 1HD1 ILE 58 HD1 ILE 58 -3.868 2.042 6.581 474 2HD1 ILE 58 HD1 ILE 58 -3.954 1.447 8.238 475 3HD1 ILE 58 HD1 ILE 58 -2.912 0.643 7.067 476 H LYS 59 HN LYS 59 -4.892 5.249 6.260 477 HA LYS 59 HA LYS 59 -6.668 3.894 8.178 478 1HB LYS 59 HB2 LYS 59 -7.452 6.293 6.520 479 2HB LYS 59 HB1 LYS 59 -8.410 5.501 7.763 480 1HG LYS 59 HG2 LYS 59 -5.769 6.682 8.477 481 2HG LYS 59 HG1 LYS 59 -7.172 7.732 8.268 482 1HD LYS 59 HD2 LYS 59 -8.370 6.610 9.991 483 2HD LYS 59 HD1 LYS 59 -7.173 5.318 10.063 484 1HE LYS 59 HE2 LYS 59 -6.151 6.443 11.683 485 2HE LYS 59 HE1 LYS 59 -5.737 7.672 10.490 486 1HZ LYS 59 HZ1 LYS 59 -6.847 8.685 12.344 487 2HZ LYS 59 HZ2 LYS 59 -8.161 7.629 12.206 488 3HZ LYS 59 HZ3 LYS 59 -7.862 8.769 10.993 489 H LEU 60 HN LEU 60 -8.417 2.767 7.300 490 HA LEU 60 HA LEU 60 -8.433 2.460 4.380 491 1HB LEU 60 HB2 LEU 60 -7.894 0.411 6.428 492 2HB LEU 60 HB1 LEU 60 -9.073 -0.050 5.217 493 HG LEU 60 HG LEU 60 -7.082 0.941 3.646 494 1HD1 LEU 60 HD1 LEU 60 -5.811 -0.289 6.081 495 2HD1 LEU 60 HD1 LEU 60 -5.510 1.306 5.394 496 3HD1 LEU 60 HD1 LEU 60 -4.998 -0.139 4.524 497 1HD2 LEU 60 HD2 LEU 60 -6.527 -1.808 4.138 498 2HD2 LEU 60 HD2 LEU 60 -7.402 -1.083 2.793 499 3HD2 LEU 60 HD2 LEU 60 -8.268 -1.555 4.252 500 H GLU 61 HN GLU 61 -10.432 1.734 3.517 501 HA GLU 61 HA GLU 61 -12.705 1.162 5.066 502 1HB GLU 61 HB2 GLU 61 -13.928 3.364 4.339 503 2HB GLU 61 HB1 GLU 61 -12.977 3.325 5.815 504 1HG GLU 61 HG2 GLU 61 -11.306 4.635 4.937 505 2HG GLU 61 HG1 GLU 61 -11.686 4.191 3.273 506 H ASP 62 HN ASP 62 -14.781 1.476 3.626 507 HA ASP 62 HA ASP 62 -14.079 0.344 1.053 508 1HB ASP 62 HB2 ASP 62 -15.809 -0.707 2.467 509 2HB ASP 62 HB1 ASP 62 -16.802 0.737 2.306 510 H LYS 63 HN LYS 63 -14.294 1.319 -0.864 511 HA LYS 63 HA LYS 63 -14.663 4.130 -0.981 512 1HB LYS 63 HB2 LYS 63 -13.269 2.575 -2.512 513 2HB LYS 63 HB1 LYS 63 -14.773 2.353 -3.393 514 1HG LYS 63 HG2 LYS 63 -14.293 5.145 -2.910 515 2HG LYS 63 HG1 LYS 63 -12.905 4.396 -3.697 516 1HD LYS 63 HD2 LYS 63 -14.527 3.409 -5.358 517 2HD LYS 63 HD1 LYS 63 -15.759 4.454 -4.648 518 1HE LYS 63 HE2 LYS 63 -13.218 5.294 -6.031 519 2HE LYS 63 HE1 LYS 63 -14.872 5.548 -6.583 520 1HZ LYS 63 HZ1 LYS 63 -13.373 6.960 -4.506 521 2HZ LYS 63 HZ2 LYS 63 -15.039 6.777 -4.284 522 3HZ LYS 63 HZ3 LYS 63 -14.450 7.565 -5.659 523 H VAL 64 HN VAL 64 -16.963 1.763 -0.681 524 HA VAL 64 HA VAL 64 -18.894 2.939 -2.482 525 HB VAL 64 HB VAL 64 -19.385 0.822 -0.387 526 1HG1 VAL 64 HG1 VAL 64 -21.475 1.525 -1.060 527 2HG1 VAL 64 HG1 VAL 64 -21.155 0.233 -2.217 528 3HG1 VAL 64 HG1 VAL 64 -20.935 1.918 -2.691 529 1HG2 VAL 64 HG2 VAL 64 -18.297 0.630 -3.173 530 2HG2 VAL 64 HG2 VAL 64 -19.217 -0.698 -2.469 531 3HG2 VAL 64 HG2 VAL 64 -17.727 -0.151 -1.700 532 H SER 65 HN SER 65 -18.907 2.327 1.051 533 HA SER 65 HA SER 65 -19.546 4.956 1.768 534 1HB SER 65 HB2 SER 65 -21.820 3.329 0.894 535 2HB SER 65 HB1 SER 65 -22.031 4.001 2.511 536 HG SER 65 HG SER 65 -21.506 5.398 0.103 537 H GLY 66 HN GLY 66 -17.804 3.920 3.132 538 1HA GLY 66 HA2 GLY 66 -17.211 3.400 5.309 539 2HA GLY 66 HA1 GLY 66 -18.919 3.304 5.701 540 H GLU 67 HN GLU 67 -16.845 1.521 6.606 541 HA GLU 67 HA GLU 67 -18.128 -0.934 6.311 542 1HB GLU 67 HB2 GLU 67 -16.724 -0.336 4.023 543 2HB GLU 67 HB1 GLU 67 -15.600 -1.360 4.900 544 1HG GLU 67 HG2 GLU 67 -17.750 -2.869 5.178 545 2HG GLU 67 HG1 GLU 67 -18.245 -2.007 3.722 546 H LEU 68 HN LEU 68 -15.793 -2.639 6.402 547 HA LEU 68 HA LEU 68 -15.270 -2.917 9.033 548 1HB LEU 68 HB2 LEU 68 -14.362 -4.546 7.542 549 2HB LEU 68 HB1 LEU 68 -13.335 -3.359 6.757 550 HG LEU 68 HG LEU 68 -12.648 -3.437 9.528 551 1HD1 LEU 68 HD1 LEU 68 -12.491 -5.590 10.115 552 2HD1 LEU 68 HD1 LEU 68 -12.007 -6.098 8.497 553 3HD1 LEU 68 HD1 LEU 68 -13.713 -5.862 8.873 554 1HD2 LEU 68 HD2 LEU 68 -10.460 -4.046 8.633 555 2HD2 LEU 68 HD2 LEU 68 -11.189 -2.743 7.694 556 3HD2 LEU 68 HD2 LEU 68 -11.190 -4.391 7.065 557 H PHE 69 HN PHE 69 -13.068 -1.056 6.930 558 HA PHE 69 HA PHE 69 -11.766 0.748 7.337 559 1HB PHE 69 HB2 PHE 69 -13.656 1.880 8.302 560 2HB PHE 69 HB1 PHE 69 -13.495 0.984 9.805 561 HD1 PHE 69 HD1 PHE 69 -11.936 3.584 7.697 562 HD2 PHE 69 HD2 PHE 69 -12.051 1.722 11.521 563 HE1 PHE 69 HE1 PHE 69 -10.517 5.371 8.604 564 HE2 PHE 69 HE2 PHE 69 -10.637 3.515 12.439 565 HZ PHE 69 HZ PHE 69 -9.868 5.344 10.979 566 H ALA 70 HN ALA 70 -9.701 0.481 7.743 567 HA ALA 70 HA ALA 70 -8.873 -0.605 10.343 568 1HB ALA 70 HB1 ALA 70 -7.106 -1.934 9.149 569 2HB ALA 70 HB2 ALA 70 -7.952 -1.577 7.644 570 3HB ALA 70 HB3 ALA 70 -8.757 -2.506 8.907 571 H GLN 71 HN GLN 71 -7.075 0.344 11.204 572 HA GLN 71 HA GLN 71 -5.572 2.174 9.473 573 1HB GLN 71 HB2 GLN 71 -5.389 3.704 11.507 574 2HB GLN 71 HB1 GLN 71 -6.922 3.688 10.651 575 1HG GLN 71 HG2 GLN 71 -8.012 3.081 12.474 576 2HG GLN 71 HG1 GLN 71 -6.922 1.718 12.738 577 1HE2 GLN 71 HE2 GLN 71 -8.165 3.721 14.589 578 2HE2 GLN 71 HE2 GLN 71 -6.838 4.373 15.483 579 H ALA 72 HN ALA 72 -3.421 2.358 9.874 580 HA ALA 72 HA ALA 72 -2.301 0.665 12.001 581 1HB ALA 72 HB1 ALA 72 -1.024 0.870 9.286 582 2HB ALA 72 HB2 ALA 72 -2.226 -0.365 9.664 583 3HB ALA 72 HB3 ALA 72 -0.711 -0.301 10.565 584 HA PRO 73 HA PRO 73 -0.533 4.884 12.459 585 1HB PRO 73 HB2 PRO 73 -0.144 4.673 15.145 586 2HB PRO 73 HB1 PRO 73 -1.682 5.165 14.426 587 1HG PRO 73 HG2 PRO 73 -0.843 2.482 15.455 588 2HG PRO 73 HG1 PRO 73 -2.383 3.335 15.675 589 1HD PRO 73 HD2 PRO 73 -2.082 1.356 13.860 590 2HD PRO 73 HD1 PRO 73 -3.157 2.740 13.581 591 H VAL 74 HN VAL 74 1.569 5.390 12.337 592 HA VAL 74 HA VAL 74 3.556 3.505 13.395 593 HB VAL 74 HB VAL 74 4.955 3.844 11.385 594 1HG1 VAL 74 HG1 VAL 74 3.980 1.830 11.108 595 2HG1 VAL 74 HG1 VAL 74 3.118 2.656 9.811 596 3HG1 VAL 74 HG1 VAL 74 2.357 2.459 11.389 597 1HG2 VAL 74 HG2 VAL 74 2.506 5.071 10.125 598 2HG2 VAL 74 HG2 VAL 74 4.103 4.870 9.404 599 3HG2 VAL 74 HG2 VAL 74 3.873 6.010 10.729 600 H GLU 75 HN GLU 75 5.642 4.444 13.803 601 HA GLU 75 HA GLU 75 5.465 7.124 14.809 602 1HB GLU 75 HB2 GLU 75 7.088 4.844 15.286 603 2HB GLU 75 HB1 GLU 75 8.155 6.165 14.842 604 1HG GLU 75 HG2 GLU 75 7.794 7.265 16.751 605 2HG GLU 75 HG1 GLU 75 6.073 6.881 16.767 606 H GLN 76 HN GLN 76 5.957 6.038 11.758 607 HA GLN 76 HA GLN 76 6.841 6.905 9.862 608 1HB GLN 76 HB2 GLN 76 5.670 8.961 11.066 609 2HB GLN 76 HB1 GLN 76 7.330 9.522 11.174 610 1HG GLN 76 HG2 GLN 76 7.162 8.736 8.567 611 2HG GLN 76 HG1 GLN 76 5.546 9.367 8.873 612 1HE2 GLN 76 HE2 GLN 76 7.397 11.019 10.984 613 2HE2 GLN 76 HE2 GLN 76 7.820 12.381 10.017 614 H TYR 77 HN TYR 77 8.688 5.461 10.527 615 HA TYR 77 HA TYR 77 11.133 6.914 10.189 616 1HB TYR 77 HB2 TYR 77 10.658 6.921 12.705 617 2HB TYR 77 HB1 TYR 77 10.999 5.203 12.664 618 HD1 TYR 77 HD1 TYR 77 13.297 5.029 10.845 619 HD2 TYR 77 HD2 TYR 77 12.399 7.911 13.842 620 HE1 TYR 77 HE1 TYR 77 15.691 5.497 11.098 621 HE2 TYR 77 HE2 TYR 77 14.796 8.390 14.104 622 HH TYR 77 HH TYR 77 16.859 8.104 13.134 623 HA PRO 78 HA PRO 78 12.158 2.274 9.776 624 1HB PRO 78 HB2 PRO 78 10.394 0.383 10.532 625 2HB PRO 78 HB1 PRO 78 11.523 1.125 11.672 626 1HG PRO 78 HG2 PRO 78 8.628 1.732 11.213 627 2HG PRO 78 HG1 PRO 78 9.511 1.578 12.743 628 1HD PRO 78 HD2 PRO 78 8.906 3.977 11.601 629 2HD PRO 78 HD1 PRO 78 10.328 3.713 12.626 630 H GLY 79 HN GLY 79 11.098 3.735 7.823 631 1HA GLY 79 HA2 GLY 79 8.832 2.599 6.523 632 2HA GLY 79 HA1 GLY 79 9.998 3.694 5.794 633 H ILE 80 HN ILE 80 8.894 0.491 6.026 634 HA ILE 80 HA ILE 80 10.294 -0.391 3.812 635 HB ILE 80 HB ILE 80 12.164 -0.240 5.581 636 1HG1 ILE 80 HG1 ILE 80 13.401 -1.873 4.513 637 2HG1 ILE 80 HG1 ILE 80 12.062 -3.005 4.446 638 1HG2 ILE 80 HG2 ILE 80 12.403 -2.322 6.951 639 2HG2 ILE 80 HG2 ILE 80 10.719 -2.675 6.578 640 3HG2 ILE 80 HG2 ILE 80 11.134 -1.211 7.465 641 1HD1 ILE 80 HD1 ILE 80 12.579 -0.633 2.686 642 2HD1 ILE 80 HD1 ILE 80 11.024 -1.462 2.730 643 3HD1 ILE 80 HD1 ILE 80 12.472 -2.334 2.235 644 H ALA 81 HN ALA 81 10.463 -3.191 4.466 645 HA ALA 81 HA ALA 81 9.214 -5.061 4.822 646 1HB ALA 81 HB1 ALA 81 8.415 -3.801 6.892 647 2HB ALA 81 HB2 ALA 81 7.370 -5.074 6.263 648 3HB ALA 81 HB3 ALA 81 6.991 -3.382 5.940 649 H VAL 82 HN VAL 82 9.242 -4.879 2.473 650 HA VAL 82 HA VAL 82 6.548 -5.012 1.447 651 HB VAL 82 HB VAL 82 6.970 -2.661 1.096 652 1HG1 VAL 82 HG1 VAL 82 9.588 -3.631 0.042 653 2HG1 VAL 82 HG1 VAL 82 9.247 -2.310 1.160 654 3HG1 VAL 82 HG1 VAL 82 8.909 -2.119 -0.560 655 1HG2 VAL 82 HG2 VAL 82 6.291 -2.560 -1.086 656 2HG2 VAL 82 HG2 VAL 82 6.033 -4.276 -0.768 657 3HG2 VAL 82 HG2 VAL 82 7.480 -3.744 -1.625 658 H GLU 83 HN GLU 83 6.381 -6.423 -0.200 659 HA GLU 83 HA GLU 83 8.761 -7.253 -1.643 660 1HB GLU 83 HB2 GLU 83 7.074 -9.298 -0.207 661 2HB GLU 83 HB1 GLU 83 8.554 -9.579 -1.114 662 1HG GLU 83 HG2 GLU 83 9.800 -8.279 0.550 663 2HG GLU 83 HG1 GLU 83 8.312 -8.067 1.473 664 H THR 84 HN THR 84 8.294 -8.508 -3.509 665 HA THR 84 HA THR 84 5.461 -8.487 -4.269 666 HB THR 84 HB THR 84 6.729 -6.605 -5.336 667 HG1 THR 84 HG1 THR 84 6.113 -7.854 -7.587 668 1HG2 THR 84 HG2 THR 84 8.009 -7.568 -7.463 669 2HG2 THR 84 HG2 THR 84 8.402 -8.842 -6.310 670 3HG2 THR 84 HG2 THR 84 8.830 -7.169 -5.954 671 H VAL 85 HN VAL 85 5.689 -9.590 -6.721 672 HA VAL 85 HA VAL 85 6.010 -12.343 -6.096 673 HB VAL 85 HB VAL 85 5.540 -12.630 -8.575 674 1HG1 VAL 85 HG1 VAL 85 3.261 -12.388 -8.223 675 2HG1 VAL 85 HG1 VAL 85 3.460 -10.905 -7.295 676 3HG1 VAL 85 HG1 VAL 85 3.878 -12.458 -6.579 677 1HG2 VAL 85 HG2 VAL 85 4.620 -9.830 -8.708 678 2HG2 VAL 85 HG2 VAL 85 5.303 -10.859 -9.954 679 3HG2 VAL 85 HG2 VAL 85 6.367 -10.069 -8.806 680 H THR 86 HN THR 86 7.883 -13.358 -6.000 681 HA THR 86 HA THR 86 10.332 -12.386 -6.947 682 HB THR 86 HB THR 86 9.838 -15.317 -6.516 683 HG1 THR 86 HG1 THR 86 9.822 -14.991 -4.325 684 1HG2 THR 86 HG2 THR 86 12.089 -13.539 -5.611 685 2HG2 THR 86 HG2 THR 86 12.126 -14.581 -7.033 686 3HG2 THR 86 HG2 THR 86 11.981 -15.289 -5.425 687 H ASP 87 HN ASP 87 8.045 -14.682 -8.390 688 HA ASP 87 HA ASP 87 9.782 -14.964 -10.727 689 1HB ASP 87 HB2 ASP 87 8.685 -16.953 -9.567 690 2HB ASP 87 HB1 ASP 87 7.167 -16.384 -10.254 691 H SER 88 HN SER 88 7.979 -12.557 -9.988 692 HA SER 88 HA SER 88 6.822 -10.979 -11.162 693 1HB SER 88 HB2 SER 88 8.492 -11.792 -12.991 694 2HB SER 88 HB1 SER 88 7.079 -12.590 -13.681 695 HG SER 88 HG SER 88 6.248 -10.702 -14.207 696 H SER 89 HN SER 89 4.686 -10.562 -11.620 697 HA SER 89 HA SER 89 2.844 -12.258 -12.802 698 1HB SER 89 HB2 SER 89 3.222 -12.719 -9.878 699 2HB SER 89 HB1 SER 89 1.586 -12.783 -10.531 700 HG SER 89 HG SER 89 2.817 -14.811 -10.501 701 H ARG 90 HN ARG 90 0.515 -11.696 -11.954 702 HA ARG 90 HA ARG 90 0.329 -8.820 -12.053 703 1HB ARG 90 HB2 ARG 90 -1.895 -10.863 -12.023 704 2HB ARG 90 HB1 ARG 90 -2.023 -9.171 -12.489 705 1HG ARG 90 HG2 ARG 90 -1.580 -9.728 -14.585 706 2HG ARG 90 HG1 ARG 90 0.006 -10.316 -14.085 707 1HD ARG 90 HD2 ARG 90 -2.555 -11.909 -14.136 708 2HD ARG 90 HD1 ARG 90 -1.219 -12.049 -15.277 709 HE ARG 90 HE ARG 90 -0.015 -12.542 -12.934 710 1HH1 ARG 90 HH1 ARG 90 -2.859 -13.854 -14.443 711 2HH1 ARG 90 HH1 ARG 90 -2.772 -15.359 -13.590 712 1HH2 ARG 90 HH2 ARG 90 0.101 -14.507 -11.786 713 2HH2 ARG 90 HH2 ARG 90 -1.091 -15.731 -12.077 714 H TYR 91 HN TYR 91 1.337 -9.894 -9.572 715 HA TYR 91 HA TYR 91 -0.598 -8.658 -7.792 716 1HB TYR 91 HB2 TYR 91 -1.332 -10.867 -7.486 717 2HB TYR 91 HB1 TYR 91 0.297 -11.523 -7.579 718 HD1 TYR 91 HD1 TYR 91 -2.257 -10.138 -5.411 719 HD2 TYR 91 HD2 TYR 91 1.843 -11.254 -5.641 720 HE1 TYR 91 HE1 TYR 91 -2.121 -10.126 -2.954 721 HE2 TYR 91 HE2 TYR 91 1.990 -11.245 -3.187 722 HH TYR 91 HH TYR 91 0.437 -9.858 -1.255 723 H PHE 92 HN PHE 92 0.327 -8.301 -5.590 724 HA PHE 92 HA PHE 92 3.194 -8.433 -5.303 725 1HB PHE 92 HB2 PHE 92 3.094 -5.814 -4.822 726 2HB PHE 92 HB1 PHE 92 3.433 -6.449 -6.428 727 HD1 PHE 92 HD1 PHE 92 1.040 -4.720 -4.326 728 HD2 PHE 92 HD2 PHE 92 1.734 -6.370 -8.180 729 HE1 PHE 92 HE1 PHE 92 -0.909 -3.485 -5.199 730 HE2 PHE 92 HE2 PHE 92 -0.208 -5.135 -9.066 731 HZ PHE 92 HZ PHE 92 -1.528 -3.693 -7.574 732 H VAL 93 HN VAL 93 3.887 -7.377 -3.201 733 HA VAL 93 HA VAL 93 1.736 -7.535 -1.189 734 HB VAL 93 HB VAL 93 4.544 -8.374 -0.530 735 1HG1 VAL 93 HG1 VAL 93 3.032 -7.964 1.315 736 2HG1 VAL 93 HG1 VAL 93 3.392 -9.687 1.198 737 3HG1 VAL 93 HG1 VAL 93 1.845 -9.069 0.618 738 1HG2 VAL 93 HG2 VAL 93 4.115 -10.648 -1.075 739 2HG2 VAL 93 HG2 VAL 93 3.709 -9.705 -2.507 740 3HG2 VAL 93 HG2 VAL 93 2.429 -10.308 -1.456 741 H ILE 94 HN ILE 94 1.758 -6.012 0.423 742 HA ILE 94 HA ILE 94 4.023 -4.145 0.511 743 HB ILE 94 HB ILE 94 2.368 -3.067 -0.897 744 1HG1 ILE 94 HG1 ILE 94 3.673 -1.834 0.989 745 2HG1 ILE 94 HG1 ILE 94 2.377 -0.989 0.153 746 1HG2 ILE 94 HG2 ILE 94 0.397 -3.070 1.348 747 2HG2 ILE 94 HG2 ILE 94 0.459 -4.406 0.205 748 3HG2 ILE 94 HG2 ILE 94 0.129 -2.771 -0.360 749 1HD1 ILE 94 HD1 ILE 94 1.078 -2.164 2.272 750 2HD1 ILE 94 HD1 ILE 94 1.626 -0.491 2.186 751 3HD1 ILE 94 HD1 ILE 94 2.639 -1.712 2.954 752 H ARG 95 HN ARG 95 4.496 -3.374 2.514 753 HA ARG 95 HA ARG 95 2.636 -3.886 4.699 754 1HB ARG 95 HB2 ARG 95 5.453 -4.857 5.035 755 2HB ARG 95 HB1 ARG 95 4.005 -5.330 5.905 756 1HG ARG 95 HG2 ARG 95 3.553 -6.988 4.483 757 2HG ARG 95 HG1 ARG 95 3.890 -6.000 3.070 758 1HD ARG 95 HD2 ARG 95 5.871 -6.942 2.802 759 2HD ARG 95 HD1 ARG 95 6.318 -6.579 4.469 760 HE ARG 95 HE ARG 95 4.670 -8.931 3.833 761 1HH1 ARG 95 HH1 ARG 95 7.601 -7.555 5.144 762 2HH1 ARG 95 HH1 ARG 95 8.054 -9.004 5.974 763 1HH2 ARG 95 HH2 ARG 95 5.272 -10.833 4.915 764 2HH2 ARG 95 HH2 ARG 95 6.733 -10.864 5.844 765 H ILE 96 HN ILE 96 3.690 -3.117 6.839 766 HA ILE 96 HA ILE 96 5.414 -0.786 6.389 767 HB ILE 96 HB ILE 96 3.022 -0.616 8.218 768 1HG1 ILE 96 HG1 ILE 96 3.097 0.634 5.478 769 2HG1 ILE 96 HG1 ILE 96 2.441 -0.981 5.718 770 1HG2 ILE 96 HG2 ILE 96 4.723 1.520 6.943 771 2HG2 ILE 96 HG2 ILE 96 4.898 0.933 8.595 772 3HG2 ILE 96 HG2 ILE 96 3.424 1.765 8.110 773 1HD1 ILE 96 HD1 ILE 96 0.498 -0.089 6.280 774 2HD1 ILE 96 HD1 ILE 96 1.174 1.528 6.085 775 3HD1 ILE 96 HD1 ILE 96 1.261 0.719 7.650 776 H GLN 97 HN GLN 97 6.448 -0.021 8.339 777 HA GLN 97 HA GLN 97 6.617 -2.043 10.491 778 1HB GLN 97 HB2 GLN 97 8.762 -0.878 8.832 779 2HB GLN 97 HB1 GLN 97 9.094 -0.917 10.551 780 1HG GLN 97 HG2 GLN 97 8.138 -3.380 9.170 781 2HG GLN 97 HG1 GLN 97 9.820 -2.885 9.034 782 1HE2 GLN 97 HE2 GLN 97 9.327 -1.717 11.907 783 2HE2 GLN 97 HE2 GLN 97 9.589 -3.094 12.909 784 H ASP 98 HN ASP 98 7.481 -1.170 12.563 785 HA ASP 98 HA ASP 98 7.606 1.633 13.003 786 1HB ASP 98 HB2 ASP 98 5.174 1.431 12.699 787 2HB ASP 98 HB1 ASP 98 5.116 0.262 14.015 788 H GLY 99 HN GLY 99 8.904 1.944 14.680 789 1HA GLY 99 HA2 GLY 99 9.686 1.713 16.865 790 2HA GLY 99 HA1 GLY 99 8.665 0.302 17.054 791 H THR 100 HN THR 100 9.984 -0.599 14.358 792 HA THR 100 HA THR 100 11.865 -1.732 13.676 793 HB THR 100 HB THR 100 13.125 -1.299 16.377 794 HG1 THR 100 HG1 THR 100 12.907 0.751 15.859 795 1HG2 THR 100 HG2 THR 100 14.444 -1.439 13.693 796 2HG2 THR 100 HG2 THR 100 14.144 -2.866 14.684 797 3HG2 THR 100 HG2 THR 100 15.182 -1.574 15.290 798 H GLY 101 HN GLY 101 9.553 -2.797 14.873 799 1HA GLY 101 HA2 GLY 101 10.433 -5.455 15.369 800 2HA GLY 101 HA1 GLY 101 9.924 -4.692 16.866 801 H ARG 102 HN ARG 102 7.871 -3.093 15.313 802 HA ARG 102 HA ARG 102 5.924 -5.281 15.038 803 1HB ARG 102 HB2 ARG 102 5.466 -2.405 15.844 804 2HB ARG 102 HB1 ARG 102 4.203 -3.613 15.637 805 1HG ARG 102 HG2 ARG 102 6.466 -3.885 17.599 806 2HG ARG 102 HG1 ARG 102 4.887 -3.204 18.000 807 1HD ARG 102 HD2 ARG 102 5.235 -5.935 16.794 808 2HD ARG 102 HD1 ARG 102 5.218 -5.659 18.533 809 HE ARG 102 HE ARG 102 2.942 -4.622 18.083 810 1HH1 ARG 102 HH1 ARG 102 4.254 -7.244 16.170 811 2HH1 ARG 102 HH1 ARG 102 2.697 -7.841 15.708 812 1HH2 ARG 102 HH2 ARG 102 0.905 -5.418 17.471 813 2HH2 ARG 102 HH2 ARG 102 0.800 -6.810 16.444 814 H SER 103 HN SER 103 5.215 -5.657 13.076 815 HA SER 103 HA SER 103 4.763 -3.460 11.218 816 1HB SER 103 HB2 SER 103 6.442 -3.952 9.793 817 2HB SER 103 HB1 SER 103 7.115 -4.945 11.078 818 HG SER 103 HG SER 103 6.911 -6.207 9.249 819 H ALA 104 HN ALA 104 3.153 -3.855 9.720 820 HA ALA 104 HA ALA 104 1.709 -6.403 10.039 821 1HB ALA 104 HB1 ALA 104 0.683 -3.704 9.150 822 2HB ALA 104 HB2 ALA 104 0.422 -4.442 10.730 823 3HB ALA 104 HB3 ALA 104 -0.282 -5.173 9.287 824 H PHE 105 HN PHE 105 1.411 -7.686 8.291 825 HA PHE 105 HA PHE 105 2.411 -6.690 5.711 826 1HB PHE 105 HB2 PHE 105 3.312 -8.760 5.264 827 2HB PHE 105 HB1 PHE 105 3.418 -8.763 7.019 828 HD1 PHE 105 HD1 PHE 105 1.442 -9.984 4.147 829 HD2 PHE 105 HD2 PHE 105 2.263 -10.357 8.305 830 HE1 PHE 105 HE1 PHE 105 0.141 -12.062 4.212 831 HE2 PHE 105 HE2 PHE 105 0.965 -12.444 8.380 832 HZ PHE 105 HZ PHE 105 -0.097 -13.304 6.327 833 H ILE 106 HN ILE 106 1.278 -7.150 3.777 834 HA ILE 106 HA ILE 106 -1.230 -8.536 3.804 835 HB ILE 106 HB ILE 106 -2.337 -6.327 2.835 836 1HG1 ILE 106 HG1 ILE 106 -1.269 -4.732 4.932 837 2HG1 ILE 106 HG1 ILE 106 0.085 -5.348 3.993 838 1HG2 ILE 106 HG2 ILE 106 -2.188 -7.350 5.617 839 2HG2 ILE 106 HG2 ILE 106 -3.551 -7.282 4.505 840 3HG2 ILE 106 HG2 ILE 106 -3.014 -5.822 5.333 841 1HD1 ILE 106 HD1 ILE 106 -1.307 -4.565 1.955 842 2HD1 ILE 106 HD1 ILE 106 -0.399 -3.393 2.911 843 3HD1 ILE 106 HD1 ILE 106 -2.137 -3.563 3.146 844 H GLY 107 HN GLY 107 -2.248 -8.468 1.611 845 1HA GLY 107 HA2 GLY 107 -0.170 -8.004 -0.438 846 2HA GLY 107 HA1 GLY 107 -1.355 -9.300 -0.516 847 H ILE 108 HN ILE 108 -0.811 -7.234 -2.494 848 HA ILE 108 HA ILE 108 -3.553 -6.288 -2.778 849 HB ILE 108 HB ILE 108 -2.476 -4.050 -3.653 850 1HG1 ILE 108 HG1 ILE 108 -0.638 -4.543 -1.344 851 2HG1 ILE 108 HG1 ILE 108 -0.168 -5.076 -2.954 852 1HG2 ILE 108 HG2 ILE 108 -2.728 -3.179 -1.238 853 2HG2 ILE 108 HG2 ILE 108 -3.196 -4.837 -0.865 854 3HG2 ILE 108 HG2 ILE 108 -4.127 -3.901 -2.035 855 1HD1 ILE 108 HD1 ILE 108 -1.132 -2.296 -2.669 856 2HD1 ILE 108 HD1 ILE 108 0.116 -2.965 -3.716 857 3HD1 ILE 108 HD1 ILE 108 0.458 -2.687 -2.016 858 H GLY 109 HN GLY 109 -4.213 -5.939 -4.905 859 1HA GLY 109 HA2 GLY 109 -2.458 -5.858 -7.118 860 2HA GLY 109 HA1 GLY 109 -2.992 -7.510 -6.868 861 H PHE 110 HN PHE 110 -3.927 -7.321 -8.978 862 HA PHE 110 HA PHE 110 -6.687 -6.475 -8.835 863 1HB PHE 110 HB2 PHE 110 -4.740 -5.222 -10.775 864 2HB PHE 110 HB1 PHE 110 -6.489 -5.148 -10.970 865 HD1 PHE 110 HD1 PHE 110 -7.856 -4.002 -9.218 866 HD2 PHE 110 HD2 PHE 110 -3.607 -3.752 -9.344 867 HE1 PHE 110 HE1 PHE 110 -7.930 -2.004 -7.787 868 HE2 PHE 110 HE2 PHE 110 -3.676 -1.755 -7.915 869 HZ PHE 110 HZ PHE 110 -5.835 -0.881 -7.139 870 H THR 111 HN THR 111 -7.940 -7.195 -10.673 871 HA THR 111 HA THR 111 -7.274 -9.809 -11.491 872 HB THR 111 HB THR 111 -9.247 -9.169 -13.203 873 HG1 THR 111 HG1 THR 111 -9.500 -7.058 -12.785 874 1HG2 THR 111 HG2 THR 111 -9.176 -10.633 -10.979 875 2HG2 THR 111 HG2 THR 111 -10.676 -10.228 -11.813 876 3HG2 THR 111 HG2 THR 111 -10.173 -9.297 -10.403 877 H ASP 112 HN ASP 112 -6.117 -6.868 -12.603 878 HA ASP 112 HA ASP 112 -4.965 -8.120 -14.941 879 1HB ASP 112 HB2 ASP 112 -5.617 -6.201 -16.414 880 2HB ASP 112 HB1 ASP 112 -6.970 -7.218 -15.929 881 H ARG 113 HN ARG 113 -3.444 -6.463 -16.053 882 HA ARG 113 HA ARG 113 -1.776 -5.339 -13.970 883 1HB ARG 113 HB2 ARG 113 -1.425 -6.178 -16.755 884 2HB ARG 113 HB1 ARG 113 -0.571 -4.690 -16.368 885 1HG ARG 113 HG2 ARG 113 0.049 -6.275 -14.232 886 2HG ARG 113 HG1 ARG 113 -0.022 -7.439 -15.556 887 1HD ARG 113 HD2 ARG 113 1.391 -5.529 -16.767 888 2HD ARG 113 HD1 ARG 113 1.843 -5.181 -15.099 889 HE ARG 113 HE ARG 113 2.096 -7.943 -15.977 890 1HH1 ARG 113 HH1 ARG 113 3.678 -4.888 -15.360 891 2HH1 ARG 113 HH1 ARG 113 5.255 -5.591 -15.240 892 1HH2 ARG 113 HH2 ARG 113 4.173 -8.861 -15.823 893 2HH2 ARG 113 HH2 ARG 113 5.537 -7.841 -15.505 894 H GLY 114 HN GLY 114 -4.412 -4.180 -15.496 895 1HA GLY 114 HA2 GLY 114 -3.604 -1.640 -16.428 896 2HA GLY 114 HA1 GLY 114 -5.234 -2.090 -15.953 897 H ASP 115 HN ASP 115 -5.609 -2.193 -13.545 898 HA ASP 115 HA ASP 115 -5.092 0.293 -12.402 899 1HB ASP 115 HB2 ASP 115 -6.669 -1.906 -11.772 900 2HB ASP 115 HB1 ASP 115 -5.565 -1.777 -10.409 901 H ALA 116 HN ALA 116 -3.305 -2.718 -12.210 902 HA ALA 116 HA ALA 116 -1.686 -2.262 -10.015 903 1HB ALA 116 HB1 ALA 116 -0.086 -3.443 -12.043 904 2HB ALA 116 HB2 ALA 116 -1.734 -4.044 -12.221 905 3HB ALA 116 HB3 ALA 116 -0.893 -4.221 -10.682 906 H PHE 117 HN PHE 117 -0.766 -1.558 -13.404 907 HA PHE 117 HA PHE 117 1.551 -0.144 -12.851 908 1HB PHE 117 HB2 PHE 117 0.995 -0.816 -15.117 909 2HB PHE 117 HB1 PHE 117 -0.412 0.240 -15.123 910 HD1 PHE 117 HD1 PHE 117 0.052 2.770 -14.797 911 HD2 PHE 117 HD2 PHE 117 3.009 -0.057 -15.975 912 HE1 PHE 117 HE1 PHE 117 1.415 4.589 -15.721 913 HE2 PHE 117 HE2 PHE 117 4.381 1.764 -16.904 914 HZ PHE 117 HZ PHE 117 3.585 4.092 -16.779 915 H ASP 118 HN ASP 118 -1.655 1.254 -13.536 916 HA ASP 118 HA ASP 118 -1.080 3.892 -13.063 917 1HB ASP 118 HB2 ASP 118 -3.487 2.248 -13.134 918 2HB ASP 118 HB1 ASP 118 -3.646 3.620 -12.043 919 H PHE 119 HN PHE 119 -2.318 1.574 -10.618 920 HA PHE 119 HA PHE 119 -2.160 3.385 -8.471 921 1HB PHE 119 HB2 PHE 119 -3.233 1.704 -7.462 922 2HB PHE 119 HB1 PHE 119 -2.894 0.658 -8.831 923 HD1 PHE 119 HD1 PHE 119 -0.690 -0.609 -8.830 924 HD2 PHE 119 HD2 PHE 119 -2.273 1.291 -5.385 925 HE1 PHE 119 HE1 PHE 119 0.758 -1.999 -7.419 926 HE2 PHE 119 HE2 PHE 119 -0.832 -0.100 -3.951 927 HZ PHE 119 HZ PHE 119 0.690 -1.748 -4.973 928 H ASN 120 HN ASN 120 0.210 1.163 -9.841 929 HA ASN 120 HA ASN 120 2.124 1.202 -7.834 930 1HB ASN 120 HB2 ASN 120 1.967 0.201 -10.423 931 2HB ASN 120 HB1 ASN 120 3.331 1.309 -10.482 932 1HD2 ASN 120 HD2 ASN 120 3.732 -1.337 -10.875 933 2HD2 ASN 120 HD2 ASN 120 4.573 -2.022 -9.531 934 H VAL 121 HN VAL 121 2.004 3.338 -10.698 935 HA VAL 121 HA VAL 121 4.155 4.962 -9.960 936 HB VAL 121 HB VAL 121 3.094 6.695 -11.456 937 1HG1 VAL 121 HG1 VAL 121 4.603 4.662 -12.104 938 2HG1 VAL 121 HG1 VAL 121 3.835 5.639 -13.356 939 3HG1 VAL 121 HG1 VAL 121 3.137 4.086 -12.898 940 1HG2 VAL 121 HG2 VAL 121 1.126 4.613 -12.289 941 2HG2 VAL 121 HG2 VAL 121 1.081 6.362 -12.513 942 3HG2 VAL 121 HG2 VAL 121 0.747 5.670 -10.927 943 H SER 122 HN SER 122 0.814 5.008 -8.954 944 HA SER 122 HA SER 122 0.772 7.631 -7.901 945 1HB SER 122 HB2 SER 122 -0.968 5.279 -7.864 946 2HB SER 122 HB1 SER 122 -1.038 6.206 -6.367 947 HG SER 122 HG SER 122 -1.110 7.964 -8.318 948 H LEU 123 HN LEU 123 1.181 4.481 -6.272 949 HA LEU 123 HA LEU 123 1.638 5.458 -3.707 950 1HB LEU 123 HB2 LEU 123 1.228 3.113 -4.112 951 2HB LEU 123 HB1 LEU 123 2.701 2.976 -5.053 952 HG LEU 123 HG LEU 123 3.995 3.512 -2.971 953 1HD1 LEU 123 HD1 LEU 123 1.404 4.083 -1.975 954 2HD1 LEU 123 HD1 LEU 123 2.956 4.217 -1.148 955 3HD1 LEU 123 HD1 LEU 123 2.043 2.710 -1.069 956 1HD2 LEU 123 HD2 LEU 123 4.229 1.303 -3.115 957 2HD2 LEU 123 HD2 LEU 123 2.557 1.079 -3.631 958 3HD2 LEU 123 HD2 LEU 123 2.944 1.182 -1.913 959 H GLN 124 HN GLN 124 3.821 5.111 -6.430 960 HA GLN 124 HA GLN 124 6.207 5.637 -4.949 961 1HB GLN 124 HB2 GLN 124 5.488 5.415 -7.836 962 2HB GLN 124 HB1 GLN 124 7.003 6.199 -7.413 963 1HG GLN 124 HG2 GLN 124 7.364 4.058 -5.959 964 2HG GLN 124 HG1 GLN 124 6.171 3.362 -7.055 965 1HE2 GLN 124 HE2 GLN 124 6.754 4.410 -9.436 966 2HE2 GLN 124 HE2 GLN 124 8.352 3.983 -9.934 967 H ASP 125 HN ASP 125 4.206 7.597 -7.149 968 HA ASP 125 HA ASP 125 5.614 9.953 -7.149 969 1HB ASP 125 HB2 ASP 125 2.683 9.348 -7.284 970 2HB ASP 125 HB1 ASP 125 3.224 11.022 -7.236 971 H HIS 126 HN HIS 126 3.359 8.781 -4.705 972 HA HIS 126 HA HIS 126 3.560 11.143 -3.091 973 1HB HIS 126 HB2 HIS 126 2.520 8.439 -2.237 974 2HB HIS 126 HB1 HIS 126 2.119 10.010 -1.556 975 HD2 HIS 126 HD2 HIS 126 1.800 10.785 -5.095 976 HE1 HIS 126 HE1 HIS 126 -1.889 8.898 -4.174 977 HE2 HIS 126 HE2 HIS 126 -0.601 10.227 -5.883 978 H PHE 127 HN PHE 127 4.866 7.844 -2.912 979 HA PHE 127 HA PHE 127 6.112 7.901 -0.472 980 1HB PHE 127 HB2 PHE 127 6.152 6.230 -2.703 981 2HB PHE 127 HB1 PHE 127 7.838 6.665 -2.454 982 HD1 PHE 127 HD1 PHE 127 4.970 5.875 -0.194 983 HD2 PHE 127 HD2 PHE 127 8.987 5.053 -1.330 984 HE1 PHE 127 HE1 PHE 127 5.135 4.207 1.608 985 HE2 PHE 127 HE2 PHE 127 9.160 3.384 0.468 986 HZ PHE 127 HZ PHE 127 7.232 2.959 1.940 987 H LYS 128 HN LYS 128 8.117 8.294 -3.388 988 HA LYS 128 HA LYS 128 9.922 9.991 -1.872 989 1HB LYS 128 HB2 LYS 128 10.179 9.023 -4.725 990 2HB LYS 128 HB1 LYS 128 11.443 9.755 -3.748 991 1HG LYS 128 HG2 LYS 128 11.118 7.786 -2.156 992 2HG LYS 128 HG1 LYS 128 10.198 7.041 -3.462 993 1HD LYS 128 HD2 LYS 128 12.549 6.315 -3.450 994 2HD LYS 128 HD1 LYS 128 12.127 7.170 -4.933 995 1HE LYS 128 HE2 LYS 128 14.330 7.829 -4.039 996 2HE LYS 128 HE1 LYS 128 13.200 9.179 -4.127 997 1HZ LYS 128 HZ1 LYS 128 12.717 8.636 -1.700 998 2HZ LYS 128 HZ2 LYS 128 14.196 9.376 -2.047 999 3HZ LYS 128 HZ3 LYS 128 14.135 7.716 -1.736 1000 H TRP 129 HN TRP 129 10.985 11.717 -3.582 1001 HA TRP 129 HA TRP 129 8.817 13.607 -4.006 1002 1HB TRP 129 HB2 TRP 129 10.839 15.140 -4.587 1003 2HB TRP 129 HB1 TRP 129 10.577 14.664 -2.913 1004 HD1 TRP 129 HD1 TRP 129 12.799 13.673 -5.929 1005 HE1 TRP 129 HE1 TRP 129 15.015 12.746 -5.012 1006 HE3 TRP 129 HE3 TRP 129 11.717 13.772 -0.931 1007 HZ2 TRP 129 HZ2 TRP 129 16.156 12.139 -2.508 1008 HZ3 TRP 129 HZ3 TRP 129 13.431 13.001 0.659 1009 HH2 TRP 129 HH2 TRP 129 15.604 12.201 -0.116 1010 H VAL 130 HN VAL 130 7.880 12.532 -5.844 1011 HA VAL 130 HA VAL 130 9.470 12.520 -8.291 1012 HB VAL 130 HB VAL 130 6.655 11.546 -7.782 1013 1HG1 VAL 130 HG1 VAL 130 8.260 11.817 -10.263 1014 2HG1 VAL 130 HG1 VAL 130 6.518 11.939 -10.021 1015 3HG1 VAL 130 HG1 VAL 130 7.291 10.356 -10.071 1016 1HG2 VAL 130 HG2 VAL 130 7.490 9.465 -7.446 1017 2HG2 VAL 130 HG2 VAL 130 8.905 10.374 -6.916 1018 3HG2 VAL 130 HG2 VAL 130 8.843 9.710 -8.549 1019 H LYS 131 HN LYS 131 6.350 13.849 -7.174 1020 HA LYS 131 HA LYS 131 6.792 16.230 -8.781 1021 1HB LYS 131 HB2 LYS 131 5.466 14.264 -10.022 1022 2HB LYS 131 HB1 LYS 131 4.116 14.974 -9.147 1023 1HG LYS 131 HG2 LYS 131 4.127 16.870 -10.389 1024 2HG LYS 131 HG1 LYS 131 5.875 16.833 -10.630 1025 1HD LYS 131 HD2 LYS 131 4.980 16.388 -12.748 1026 2HD LYS 131 HD1 LYS 131 5.440 14.803 -12.125 1027 1HE LYS 131 HE2 LYS 131 2.696 15.686 -11.509 1028 2HE LYS 131 HE1 LYS 131 3.033 15.357 -13.207 1029 1HZ LYS 131 HZ1 LYS 131 2.273 13.482 -11.528 1030 2HZ LYS 131 HZ2 LYS 131 3.940 13.377 -11.265 1031 3HZ LYS 131 HZ3 LYS 131 3.315 13.160 -12.822 1032 H GLN 132 HN GLN 132 3.833 16.846 -8.512 1033 HA GLN 132 HA GLN 132 3.378 16.951 -5.665 1034 1HB GLN 132 HB2 GLN 132 4.945 18.927 -6.489 1035 2HB GLN 132 HB1 GLN 132 3.413 19.622 -6.996 1036 1HG GLN 132 HG2 GLN 132 3.192 18.618 -4.322 1037 2HG GLN 132 HG1 GLN 132 4.580 19.696 -4.455 1038 1HE2 GLN 132 HE2 GLN 132 1.643 19.918 -6.374 1039 2HE2 GLN 132 HE2 GLN 132 1.118 21.430 -5.728 1040 H GLU 133 HN GLU 133 1.273 16.606 -5.416 1041 HA GLU 133 HA GLU 133 -0.653 17.984 -7.094 1042 1HB GLU 133 HB2 GLU 133 0.014 15.712 -8.148 1043 2HB GLU 133 HB1 GLU 133 -0.916 15.003 -6.837 1044 1HG GLU 133 HG2 GLU 133 -2.452 17.071 -8.068 1045 2HG GLU 133 HG1 GLU 133 -1.843 15.977 -9.308 Start of MODEL 4 1 1H MET 1 HT1 MET 1 -3.449 26.492 -3.281 2 2H MET 1 HT2 MET 1 -4.692 27.670 -3.360 3 3H MET 1 HT3 MET 1 -5.081 26.026 -3.067 4 HA MET 1 HA MET 1 -5.171 27.469 -1.107 5 1HB MET 1 HB2 MET 1 -3.742 24.937 -1.499 6 2HB MET 1 HB1 MET 1 -3.348 25.747 0.011 7 1HG MET 1 HG2 MET 1 -5.134 24.286 0.478 8 2HG MET 1 HG1 MET 1 -5.813 25.913 0.443 9 1HE MET 1 HE1 MET 1 -6.875 26.660 -2.559 10 2HE MET 1 HE2 MET 1 -7.328 26.793 -0.860 11 3HE MET 1 HE3 MET 1 -8.407 25.987 -1.998 12 H ALA 2 HN ALA 2 -2.092 27.324 -2.739 13 HA ALA 2 HA ALA 2 -1.171 29.767 -1.760 14 1HB ALA 2 HB1 ALA 2 -0.423 29.241 0.280 15 2HB ALA 2 HB2 ALA 2 0.839 28.309 -0.525 16 3HB ALA 2 HB3 ALA 2 -0.645 27.514 -0.002 17 H ALA 3 HN ALA 3 0.739 30.393 -2.794 18 HA ALA 3 HA ALA 3 1.431 28.767 -5.075 19 1HB ALA 3 HB1 ALA 3 2.897 31.278 -4.463 20 2HB ALA 3 HB2 ALA 3 1.182 31.386 -4.858 21 3HB ALA 3 HB3 ALA 3 2.306 30.658 -6.005 22 H GLU 4 HN GLU 4 2.493 28.859 -1.927 23 HA GLU 4 HA GLU 4 4.927 27.433 -2.632 24 1HB GLU 4 HB2 GLU 4 4.852 30.038 -1.159 25 2HB GLU 4 HB1 GLU 4 6.077 28.847 -0.744 26 1HG GLU 4 HG2 GLU 4 5.668 29.734 -3.572 27 2HG GLU 4 HG1 GLU 4 6.664 30.660 -2.451 28 H LEU 5 HN LEU 5 4.607 25.559 -1.615 29 HA LEU 5 HA LEU 5 4.195 25.573 1.260 30 1HB LEU 5 HB2 LEU 5 2.359 23.914 1.125 31 2HB LEU 5 HB1 LEU 5 1.919 25.497 0.514 32 HG LEU 5 HG LEU 5 2.834 24.070 -1.723 33 1HD1 LEU 5 HD1 LEU 5 1.714 22.280 0.263 34 2HD1 LEU 5 HD1 LEU 5 2.520 21.918 -1.262 35 3HD1 LEU 5 HD1 LEU 5 0.792 22.269 -1.241 36 1HD2 LEU 5 HD2 LEU 5 0.177 24.989 -0.701 37 2HD2 LEU 5 HD2 LEU 5 0.287 24.071 -2.203 38 3HD2 LEU 5 HD2 LEU 5 1.135 25.608 -2.045 39 H GLU 6 HN GLU 6 4.929 23.712 2.290 40 HA GLU 6 HA GLU 6 5.937 21.512 0.664 41 1HB GLU 6 HB2 GLU 6 7.727 23.024 2.576 42 2HB GLU 6 HB1 GLU 6 8.169 21.608 1.632 43 1HG GLU 6 HG2 GLU 6 9.040 23.151 0.255 44 2HG GLU 6 HG1 GLU 6 7.386 23.232 -0.348 45 H TYR 7 HN TYR 7 3.834 21.075 2.108 46 HA TYR 7 HA TYR 7 4.415 20.406 4.847 47 1HB TYR 7 HB2 TYR 7 2.027 20.238 3.066 48 2HB TYR 7 HB1 TYR 7 2.066 19.218 4.501 49 HD1 TYR 7 HD1 TYR 7 2.718 20.484 6.730 50 HD2 TYR 7 HD2 TYR 7 1.140 22.364 3.254 51 HE1 TYR 7 HE1 TYR 7 1.964 22.379 8.104 52 HE2 TYR 7 HE2 TYR 7 0.384 24.264 4.618 53 HH TYR 7 HH TYR 7 1.081 25.312 6.865 54 H GLU 8 HN GLU 8 5.304 18.585 5.548 55 HA GLU 8 HA GLU 8 5.847 16.443 3.706 56 1HB GLU 8 HB2 GLU 8 6.783 17.261 6.353 57 2HB GLU 8 HB1 GLU 8 6.603 15.519 6.194 58 1HG GLU 8 HG2 GLU 8 8.007 16.998 4.035 59 2HG GLU 8 HG1 GLU 8 8.846 16.734 5.563 60 H SER 9 HN SER 9 4.033 15.386 3.156 61 HA SER 9 HA SER 9 2.935 13.566 5.085 62 1HB SER 9 HB2 SER 9 0.651 14.248 4.989 63 2HB SER 9 HB1 SER 9 1.582 15.692 5.382 64 HG SER 9 HG SER 9 0.258 15.004 3.012 65 H VAL 10 HN VAL 10 2.543 11.701 4.112 66 HA VAL 10 HA VAL 10 3.087 11.291 1.421 67 HB VAL 10 HB VAL 10 2.897 9.731 3.585 68 1HG1 VAL 10 HG1 VAL 10 1.176 8.048 3.278 69 2HG1 VAL 10 HG1 VAL 10 0.465 8.999 1.983 70 3HG1 VAL 10 HG1 VAL 10 0.486 9.624 3.629 71 1HG2 VAL 10 HG2 VAL 10 3.168 9.239 0.701 72 2HG2 VAL 10 HG2 VAL 10 2.862 7.819 1.702 73 3HG2 VAL 10 HG2 VAL 10 4.253 8.851 2.036 74 H LEU 11 HN LEU 11 -0.094 11.666 3.005 75 HA LEU 11 HA LEU 11 -2.195 11.825 2.202 76 1HB LEU 11 HB2 LEU 11 -2.487 13.464 0.383 77 2HB LEU 11 HB1 LEU 11 -1.466 14.025 1.687 78 HG LEU 11 HG LEU 11 0.508 13.353 0.155 79 1HD1 LEU 11 HD1 LEU 11 -0.293 12.179 -1.629 80 2HD1 LEU 11 HD1 LEU 11 -0.381 13.806 -2.304 81 3HD1 LEU 11 HD1 LEU 11 -1.829 13.045 -1.648 82 1HD2 LEU 11 HD2 LEU 11 -1.302 15.663 -0.520 83 2HD2 LEU 11 HD2 LEU 11 0.384 15.513 -1.011 84 3HD2 LEU 11 HD2 LEU 11 -0.026 15.647 0.698 85 H CYS 12 HN CYS 12 -0.854 9.441 1.230 86 HA CYS 12 HA CYS 12 -1.675 9.102 -1.507 87 1HB CYS 12 HB2 CYS 12 -0.838 6.972 0.462 88 2HB CYS 12 HB1 CYS 12 -0.925 6.810 -1.286 89 HG CYS 12 HG CYS 12 1.021 8.956 -0.746 90 H VAL 13 HN VAL 13 -3.380 7.905 -2.289 91 HA VAL 13 HA VAL 13 -5.226 6.534 -0.576 92 HB VAL 13 HB VAL 13 -5.813 8.931 -0.178 93 1HG1 VAL 13 HG1 VAL 13 -7.264 9.738 -2.320 94 2HG1 VAL 13 HG1 VAL 13 -5.907 8.933 -3.106 95 3HG1 VAL 13 HG1 VAL 13 -5.612 10.248 -1.971 96 1HG2 VAL 13 HG2 VAL 13 -8.027 8.483 0.017 97 2HG2 VAL 13 HG2 VAL 13 -7.457 6.854 -0.325 98 3HG2 VAL 13 HG2 VAL 13 -8.161 7.828 -1.616 99 H LYS 14 HN LYS 14 -7.050 5.608 -1.843 100 HA LYS 14 HA LYS 14 -7.201 5.822 -4.641 101 1HB LYS 14 HB2 LYS 14 -4.969 4.631 -4.332 102 2HB LYS 14 HB1 LYS 14 -5.903 3.255 -3.760 103 1HG LYS 14 HG2 LYS 14 -5.374 2.971 -6.092 104 2HG LYS 14 HG1 LYS 14 -7.112 3.212 -5.901 105 1HD LYS 14 HD2 LYS 14 -7.045 4.957 -7.272 106 2HD LYS 14 HD1 LYS 14 -5.871 5.757 -6.225 107 1HE LYS 14 HE2 LYS 14 -4.066 4.980 -7.435 108 2HE LYS 14 HE1 LYS 14 -4.967 3.619 -8.102 109 1HZ LYS 14 HZ1 LYS 14 -5.827 6.322 -8.819 110 2HZ LYS 14 HZ2 LYS 14 -5.876 4.897 -9.729 111 3HZ LYS 14 HZ3 LYS 14 -4.415 5.727 -9.536 112 HA PRO 15 HA PRO 15 -10.875 3.870 -2.781 113 1HB PRO 15 HB2 PRO 15 -12.637 5.034 -4.475 114 2HB PRO 15 HB1 PRO 15 -11.981 5.865 -3.064 115 1HG PRO 15 HG2 PRO 15 -11.179 6.074 -5.936 116 2HG PRO 15 HG1 PRO 15 -11.367 7.358 -4.728 117 1HD PRO 15 HD2 PRO 15 -8.955 6.318 -5.440 118 2HD PRO 15 HD1 PRO 15 -9.289 6.990 -3.833 119 H ASP 16 HN ASP 16 -9.629 3.852 -6.023 120 HA ASP 16 HA ASP 16 -11.316 1.525 -6.659 121 1HB ASP 16 HB2 ASP 16 -10.522 1.975 -9.042 122 2HB ASP 16 HB1 ASP 16 -11.626 3.156 -8.348 123 H VAL 17 HN VAL 17 -10.062 0.023 -5.525 124 HA VAL 17 HA VAL 17 -7.922 -1.110 -7.025 125 HB VAL 17 HB VAL 17 -6.908 0.850 -5.617 126 1HG1 VAL 17 HG1 VAL 17 -6.452 0.514 -3.388 127 2HG1 VAL 17 HG1 VAL 17 -6.624 -1.238 -3.506 128 3HG1 VAL 17 HG1 VAL 17 -8.055 -0.208 -3.520 129 1HG2 VAL 17 HG2 VAL 17 -5.873 -1.356 -6.795 130 2HG2 VAL 17 HG2 VAL 17 -5.317 -1.571 -5.135 131 3HG2 VAL 17 HG2 VAL 17 -4.917 -0.099 -6.018 132 H SER 18 HN SER 18 -7.002 -3.064 -5.890 133 HA SER 18 HA SER 18 -8.975 -4.183 -4.018 134 1HB SER 18 HB2 SER 18 -7.623 -5.568 -6.342 135 2HB SER 18 HB1 SER 18 -8.510 -6.417 -5.081 136 HG SER 18 HG SER 18 -10.371 -5.387 -5.714 137 H VAL 19 HN VAL 19 -8.197 -5.144 -2.241 138 HA VAL 19 HA VAL 19 -5.272 -5.320 -2.003 139 HB VAL 19 HB VAL 19 -5.848 -3.638 -0.526 140 1HG1 VAL 19 HG1 VAL 19 -8.345 -5.204 0.005 141 2HG1 VAL 19 HG1 VAL 19 -8.176 -3.566 -0.626 142 3HG1 VAL 19 HG1 VAL 19 -7.824 -3.899 1.067 143 1HG2 VAL 19 HG2 VAL 19 -4.567 -5.404 0.608 144 2HG2 VAL 19 HG2 VAL 19 -6.072 -6.111 1.186 145 3HG2 VAL 19 HG2 VAL 19 -5.589 -4.502 1.721 146 H TYR 20 HN TYR 20 -4.377 -7.042 -0.825 147 HA TYR 20 HA TYR 20 -6.105 -9.416 -0.700 148 1HB TYR 20 HB2 TYR 20 -4.388 -9.823 -2.252 149 2HB TYR 20 HB1 TYR 20 -3.179 -9.023 -1.259 150 HD1 TYR 20 HD1 TYR 20 -5.268 -12.082 -1.498 151 HD2 TYR 20 HD2 TYR 20 -1.870 -10.228 0.253 152 HE1 TYR 20 HE1 TYR 20 -4.536 -14.262 -0.620 153 HE2 TYR 20 HE2 TYR 20 -1.134 -12.396 1.143 154 HH TYR 20 HH TYR 20 -1.472 -14.632 1.071 155 H ARG 21 HN ARG 21 -6.192 -10.691 1.097 156 HA ARG 21 HA ARG 21 -4.585 -9.902 3.427 157 1HB ARG 21 HB2 ARG 21 -6.526 -10.181 4.895 158 2HB ARG 21 HB1 ARG 21 -6.801 -8.906 3.721 159 1HG ARG 21 HG2 ARG 21 -8.337 -10.180 2.517 160 2HG ARG 21 HG1 ARG 21 -7.773 -11.694 3.224 161 1HD ARG 21 HD2 ARG 21 -9.083 -11.476 5.037 162 2HD ARG 21 HD1 ARG 21 -8.781 -9.746 5.168 163 HE ARG 21 HE ARG 21 -10.841 -11.022 3.509 164 1HH1 ARG 21 HH1 ARG 21 -9.437 -8.137 4.896 165 2HH1 ARG 21 HH1 ARG 21 -10.794 -7.141 4.500 166 1HH2 ARG 21 HH2 ARG 21 -12.629 -9.700 2.995 167 2HH2 ARG 21 HH2 ARG 21 -12.598 -8.021 3.423 168 H ILE 22 HN ILE 22 -4.455 -11.567 5.079 169 HA ILE 22 HA ILE 22 -5.009 -14.276 4.084 170 HB ILE 22 HB ILE 22 -2.474 -13.712 5.580 171 1HG1 ILE 22 HG1 ILE 22 -1.874 -14.052 2.822 172 2HG1 ILE 22 HG1 ILE 22 -3.040 -12.743 2.949 173 1HG2 ILE 22 HG2 ILE 22 -3.345 -15.888 3.689 174 2HG2 ILE 22 HG2 ILE 22 -3.185 -16.006 5.441 175 3HG2 ILE 22 HG2 ILE 22 -1.752 -15.777 4.438 176 1HD1 ILE 22 HD1 ILE 22 -0.256 -12.705 3.471 177 2HD1 ILE 22 HD1 ILE 22 -1.113 -12.355 4.972 178 3HD1 ILE 22 HD1 ILE 22 -1.412 -11.375 3.536 179 HA PRO 23 HA PRO 23 -6.987 -15.009 7.970 180 1HB PRO 23 HB2 PRO 23 -5.671 -17.515 8.381 181 2HB PRO 23 HB1 PRO 23 -7.311 -17.233 7.796 182 1HG PRO 23 HG2 PRO 23 -4.840 -17.805 6.276 183 2HG PRO 23 HG1 PRO 23 -6.530 -18.121 5.844 184 1HD PRO 23 HD2 PRO 23 -5.110 -16.175 4.657 185 2HD PRO 23 HD1 PRO 23 -6.842 -15.986 5.001 186 HA PRO 24 HA PRO 24 -4.203 -14.067 11.252 187 1HB PRO 24 HB2 PRO 24 -4.923 -15.738 13.285 188 2HB PRO 24 HB1 PRO 24 -5.874 -14.330 12.800 189 1HG PRO 24 HG2 PRO 24 -6.263 -17.214 12.098 190 2HG PRO 24 HG1 PRO 24 -7.473 -16.000 12.556 191 1HD PRO 24 HD2 PRO 24 -7.059 -16.719 9.988 192 2HD PRO 24 HD1 PRO 24 -7.517 -15.064 10.442 193 H ARG 25 HN ARG 25 -2.139 -14.596 10.712 194 HA ARG 25 HA ARG 25 -0.878 -16.779 11.976 195 1HB ARG 25 HB2 ARG 25 -2.087 -17.913 10.033 196 2HB ARG 25 HB1 ARG 25 -0.967 -17.066 8.975 197 1HG ARG 25 HG2 ARG 25 0.732 -18.445 9.457 198 2HG ARG 25 HG1 ARG 25 0.302 -18.541 11.166 199 1HD ARG 25 HD2 ARG 25 -1.757 -19.866 9.888 200 2HD ARG 25 HD1 ARG 25 -0.322 -20.352 8.986 201 HE ARG 25 HE ARG 25 0.559 -20.790 11.406 202 1HH1 ARG 25 HH1 ARG 25 -2.630 -21.473 10.151 203 2HH1 ARG 25 HH1 ARG 25 -2.920 -22.769 11.260 204 1HH2 ARG 25 HH2 ARG 25 0.174 -22.494 12.857 205 2HH2 ARG 25 HH2 ARG 25 -1.332 -23.349 12.795 206 H ALA 26 HN ALA 26 1.464 -17.060 10.977 207 HA ALA 26 HA ALA 26 2.429 -14.385 10.220 208 1HB ALA 26 HB1 ALA 26 2.962 -15.008 12.563 209 2HB ALA 26 HB2 ALA 26 4.390 -14.734 11.566 210 3HB ALA 26 HB3 ALA 26 3.885 -16.380 11.950 211 H SER 27 HN SER 27 1.749 -16.184 8.251 212 HA SER 27 HA SER 27 4.394 -16.924 7.193 213 1HB SER 27 HB2 SER 27 1.839 -18.533 7.084 214 2HB SER 27 HB1 SER 27 3.209 -18.844 6.018 215 HG SER 27 HG SER 27 2.984 -19.201 8.790 216 H ASN 28 HN ASN 28 4.136 -14.723 6.269 217 HA ASN 28 HA ASN 28 2.511 -14.809 3.810 218 1HB ASN 28 HB2 ASN 28 3.322 -12.232 5.128 219 2HB ASN 28 HB1 ASN 28 2.011 -12.526 3.990 220 1HD2 ASN 28 HD2 ASN 28 2.614 -11.763 7.063 221 2HD2 ASN 28 HD2 ASN 28 1.223 -12.436 7.837 222 H ARG 29 HN ARG 29 3.857 -15.214 2.173 223 HA ARG 29 HA ARG 29 6.323 -13.615 1.994 224 1HB ARG 29 HB2 ARG 29 5.990 -16.547 1.857 225 2HB ARG 29 HB1 ARG 29 7.010 -15.849 0.607 226 1HG ARG 29 HG2 ARG 29 8.376 -16.529 2.454 227 2HG ARG 29 HG1 ARG 29 8.364 -14.767 2.369 228 1HD ARG 29 HD2 ARG 29 7.090 -14.550 4.273 229 2HD ARG 29 HD1 ARG 29 6.366 -16.146 4.097 230 HE ARG 29 HE ARG 29 8.204 -17.085 5.159 231 1HH1 ARG 29 HH1 ARG 29 8.704 -13.667 4.640 232 2HH1 ARG 29 HH1 ARG 29 10.049 -13.574 5.725 233 1HH2 ARG 29 HH2 ARG 29 9.978 -16.960 6.581 234 2HH2 ARG 29 HH2 ARG 29 10.773 -15.441 6.824 235 H GLY 30 HN GLY 30 6.858 -12.828 -0.015 236 1HA GLY 30 HA2 GLY 30 4.737 -13.055 -2.037 237 2HA GLY 30 HA1 GLY 30 5.910 -11.752 -1.927 238 H TYR 31 HN TYR 31 7.303 -14.812 -1.477 239 HA TYR 31 HA TYR 31 8.769 -14.592 -3.928 240 1HB TYR 31 HB2 TYR 31 8.853 -16.295 -1.513 241 2HB TYR 31 HB1 TYR 31 9.431 -17.055 -2.992 242 HD1 TYR 31 HD1 TYR 31 11.213 -15.751 -4.346 243 HD2 TYR 31 HD2 TYR 31 10.277 -14.923 -0.279 244 HE1 TYR 31 HE1 TYR 31 13.385 -14.629 -4.080 245 HE2 TYR 31 HE2 TYR 31 12.445 -13.797 -0.002 246 HH TYR 31 HH TYR 31 14.679 -13.393 -2.723 247 H ARG 32 HN ARG 32 7.881 -15.116 -5.810 248 HA ARG 32 HA ARG 32 6.939 -16.361 -7.466 249 1HB ARG 32 HB2 ARG 32 7.688 -18.319 -5.502 250 2HB ARG 32 HB1 ARG 32 6.152 -18.780 -6.221 251 1HG ARG 32 HG2 ARG 32 7.437 -19.737 -7.783 252 2HG ARG 32 HG1 ARG 32 7.561 -18.100 -8.430 253 1HD ARG 32 HD2 ARG 32 9.506 -18.420 -6.367 254 2HD ARG 32 HD1 ARG 32 9.632 -19.783 -7.479 255 HE ARG 32 HE ARG 32 9.493 -17.180 -8.731 256 1HH1 ARG 32 HH1 ARG 32 11.572 -19.694 -7.482 257 2HH1 ARG 32 HH1 ARG 32 12.941 -19.196 -8.416 258 1HH2 ARG 32 HH2 ARG 32 11.297 -16.527 -9.958 259 2HH2 ARG 32 HH2 ARG 32 12.786 -17.400 -9.819 260 H ALA 33 HN ALA 33 5.300 -14.622 -6.873 261 HA ALA 33 HA ALA 33 2.968 -15.181 -5.428 262 1HB ALA 33 HB1 ALA 33 3.407 -13.325 -7.759 263 2HB ALA 33 HB2 ALA 33 3.536 -12.931 -6.044 264 3HB ALA 33 HB3 ALA 33 1.967 -13.339 -6.739 265 H SER 34 HN SER 34 3.756 -15.687 -8.837 266 HA SER 34 HA SER 34 1.263 -16.417 -9.803 267 1HB SER 34 HB2 SER 34 3.341 -16.095 -11.170 268 2HB SER 34 HB1 SER 34 3.901 -17.667 -10.604 269 HG SER 34 HG SER 34 1.536 -18.164 -11.484 270 H ASP 35 HN ASP 35 3.326 -18.068 -7.618 271 HA ASP 35 HA ASP 35 1.947 -20.614 -7.995 272 1HB ASP 35 HB2 ASP 35 4.479 -19.786 -6.648 273 2HB ASP 35 HB1 ASP 35 3.663 -21.242 -6.085 274 H TRP 36 HN TRP 36 1.981 -17.868 -5.895 275 HA TRP 36 HA TRP 36 0.825 -19.250 -3.655 276 1HB TRP 36 HB2 TRP 36 2.250 -17.128 -3.564 277 2HB TRP 36 HB1 TRP 36 0.810 -16.268 -4.088 278 HD1 TRP 36 HD1 TRP 36 0.286 -14.932 -1.949 279 HE1 TRP 36 HE1 TRP 36 -0.342 -15.552 0.462 280 HE3 TRP 36 HE3 TRP 36 1.221 -19.966 -2.101 281 HZ2 TRP 36 HZ2 TRP 36 -0.447 -17.843 2.088 282 HZ3 TRP 36 HZ3 TRP 36 0.828 -21.293 -0.072 283 HH2 TRP 36 HH2 TRP 36 0.014 -20.254 1.981 284 H LYS 37 HN LYS 37 -0.391 -17.041 -6.159 285 HA LYS 37 HA LYS 37 -2.511 -16.524 -6.830 286 1HB LYS 37 HB2 LYS 37 -2.602 -19.457 -6.231 287 2HB LYS 37 HB1 LYS 37 -4.075 -18.626 -6.713 288 1HG LYS 37 HG2 LYS 37 -1.537 -18.527 -8.319 289 2HG LYS 37 HG1 LYS 37 -2.791 -19.748 -8.556 290 1HD LYS 37 HD2 LYS 37 -3.924 -17.093 -8.473 291 2HD LYS 37 HD1 LYS 37 -2.670 -17.208 -9.709 292 1HE LYS 37 HE2 LYS 37 -3.776 -18.993 -10.797 293 2HE LYS 37 HE1 LYS 37 -4.870 -19.239 -9.436 294 1HZ LYS 37 HZ1 LYS 37 -4.936 -17.189 -11.528 295 2HZ LYS 37 HZ2 LYS 37 -5.520 -16.780 -9.994 296 3HZ LYS 37 HZ3 LYS 37 -6.207 -18.073 -10.842 297 H LEU 38 HN LEU 38 -4.960 -16.712 -6.148 298 HA LEU 38 HA LEU 38 -5.713 -17.151 -3.505 299 1HB LEU 38 HB2 LEU 38 -5.850 -14.753 -2.744 300 2HB LEU 38 HB1 LEU 38 -4.258 -15.475 -2.740 301 HG LEU 38 HG LEU 38 -4.575 -14.236 -5.260 302 1HD1 LEU 38 HD1 LEU 38 -4.768 -11.841 -4.021 303 2HD1 LEU 38 HD1 LEU 38 -5.922 -12.790 -3.086 304 3HD1 LEU 38 HD1 LEU 38 -6.108 -12.650 -4.833 305 1HD2 LEU 38 HD2 LEU 38 -2.931 -13.771 -2.806 306 2HD2 LEU 38 HD2 LEU 38 -2.839 -12.649 -4.164 307 3HD2 LEU 38 HD2 LEU 38 -2.434 -14.350 -4.397 308 H ASP 39 HN ASP 39 -7.611 -17.829 -4.468 309 HA ASP 39 HA ASP 39 -9.173 -15.941 -6.044 310 1HB ASP 39 HB2 ASP 39 -10.800 -17.940 -6.120 311 2HB ASP 39 HB1 ASP 39 -9.271 -18.085 -6.983 312 H GLN 40 HN GLN 40 -8.985 -17.081 -2.801 313 HA GLN 40 HA GLN 40 -11.717 -16.446 -2.140 314 1HB GLN 40 HB2 GLN 40 -9.334 -17.380 -0.580 315 2HB GLN 40 HB1 GLN 40 -10.754 -16.769 0.258 316 1HG GLN 40 HG2 GLN 40 -12.031 -18.558 -0.306 317 2HG GLN 40 HG1 GLN 40 -11.182 -18.826 -1.827 318 1HE2 GLN 40 HE2 GLN 40 -11.796 -20.944 -0.263 319 2HE2 GLN 40 HE2 GLN 40 -10.368 -21.600 0.452 320 HA PRO 41 HA PRO 41 -9.719 -12.772 0.221 321 1HB PRO 41 HB2 PRO 41 -7.097 -12.194 -0.256 322 2HB PRO 41 HB1 PRO 41 -7.641 -13.257 1.040 323 1HG PRO 41 HG2 PRO 41 -6.556 -13.950 -1.646 324 2HG PRO 41 HG1 PRO 41 -6.226 -14.703 -0.078 325 1HD PRO 41 HD2 PRO 41 -7.927 -15.781 -1.896 326 2HD PRO 41 HD1 PRO 41 -8.135 -15.977 -0.144 327 H ASP 42 HN ASP 42 -7.681 -10.896 -1.059 328 HA ASP 42 HA ASP 42 -7.624 -9.314 -2.666 329 1HB ASP 42 HB2 ASP 42 -7.697 -11.553 -4.100 330 2HB ASP 42 HB1 ASP 42 -9.278 -10.924 -4.555 331 H TRP 43 HN TRP 43 -9.252 -8.584 -0.913 332 HA TRP 43 HA TRP 43 -11.990 -8.360 -1.763 333 1HB TRP 43 HB2 TRP 43 -12.036 -6.721 0.294 334 2HB TRP 43 HB1 TRP 43 -11.922 -8.455 0.540 335 HD1 TRP 43 HD1 TRP 43 -9.173 -9.290 0.805 336 HE1 TRP 43 HE1 TRP 43 -7.425 -8.203 2.325 337 HE3 TRP 43 HE3 TRP 43 -11.343 -4.695 1.392 338 HZ2 TRP 43 HZ2 TRP 43 -7.011 -5.734 3.631 339 HZ3 TRP 43 HZ3 TRP 43 -10.208 -3.026 2.800 340 HH2 TRP 43 HH2 TRP 43 -8.084 -3.540 3.901 341 H THR 44 HN THR 44 -13.081 -6.214 -1.869 342 HA THR 44 HA THR 44 -11.369 -4.311 -3.333 343 HB THR 44 HB THR 44 -13.123 -5.280 -4.724 344 HG1 THR 44 HG1 THR 44 -13.988 -2.661 -4.162 345 1HG2 THR 44 HG2 THR 44 -15.517 -4.408 -4.165 346 2HG2 THR 44 HG2 THR 44 -14.917 -4.440 -2.507 347 3HG2 THR 44 HG2 THR 44 -14.923 -5.916 -3.471 348 H GLY 45 HN GLY 45 -11.149 -2.271 -2.590 349 1HA GLY 45 HA2 GLY 45 -13.108 -0.892 -1.081 350 2HA GLY 45 HA1 GLY 45 -11.911 -1.579 0.004 351 H ARG 46 HN ARG 46 -11.993 0.962 0.263 352 HA ARG 46 HA ARG 46 -10.055 2.203 -1.563 353 1HB ARG 46 HB2 ARG 46 -12.075 3.511 -1.259 354 2HB ARG 46 HB1 ARG 46 -11.919 3.419 0.489 355 1HG ARG 46 HG2 ARG 46 -9.731 4.668 0.229 356 2HG ARG 46 HG1 ARG 46 -10.207 4.963 -1.442 357 1HD ARG 46 HD2 ARG 46 -11.390 6.015 1.090 358 2HD ARG 46 HD1 ARG 46 -10.953 6.870 -0.386 359 HE ARG 46 HE ARG 46 -13.267 5.053 -0.298 360 1HH1 ARG 46 HH1 ARG 46 -11.887 8.196 -0.977 361 2HH1 ARG 46 HH1 ARG 46 -13.345 8.817 -1.669 362 1HH2 ARG 46 HH2 ARG 46 -15.180 5.882 -1.206 363 2HH2 ARG 46 HH2 ARG 46 -15.211 7.510 -1.796 364 H LEU 47 HN LEU 47 -7.999 2.390 -0.947 365 HA LEU 47 HA LEU 47 -7.408 2.258 1.936 366 1HB LEU 47 HB2 LEU 47 -5.058 1.618 1.116 367 2HB LEU 47 HB1 LEU 47 -6.314 0.399 1.075 368 HG LEU 47 HG LEU 47 -6.603 1.117 -1.405 369 1HD1 LEU 47 HD1 LEU 47 -3.724 1.864 -1.186 370 2HD1 LEU 47 HD1 LEU 47 -4.957 3.087 -0.907 371 3HD1 LEU 47 HD1 LEU 47 -4.892 2.245 -2.450 372 1HD2 LEU 47 HD2 LEU 47 -5.345 -0.935 -0.190 373 2HD2 LEU 47 HD2 LEU 47 -4.000 -0.226 -1.082 374 3HD2 LEU 47 HD2 LEU 47 -5.449 -0.747 -1.941 375 H ARG 48 HN ARG 48 -5.867 3.690 2.779 376 HA ARG 48 HA ARG 48 -4.614 5.629 1.090 377 1HB ARG 48 HB2 ARG 48 -5.732 7.605 2.046 378 2HB ARG 48 HB1 ARG 48 -6.832 6.594 1.132 379 1HG ARG 48 HG2 ARG 48 -8.077 6.057 2.931 380 2HG ARG 48 HG1 ARG 48 -6.696 6.080 4.029 381 1HD ARG 48 HD2 ARG 48 -7.065 8.723 3.084 382 2HD ARG 48 HD1 ARG 48 -8.650 8.111 3.552 383 HE ARG 48 HE ARG 48 -7.927 7.953 5.756 384 1HH1 ARG 48 HH1 ARG 48 -5.362 9.068 3.664 385 2HH1 ARG 48 HH1 ARG 48 -4.290 9.433 4.973 386 1HH2 ARG 48 HH2 ARG 48 -6.510 8.433 7.475 387 2HH2 ARG 48 HH2 ARG 48 -4.936 9.068 7.129 388 H ILE 49 HN ILE 49 -3.400 7.256 2.375 389 HA ILE 49 HA ILE 49 -2.932 6.556 5.151 390 HB ILE 49 HB ILE 49 -0.514 6.152 4.838 391 1HG1 ILE 49 HG1 ILE 49 -1.025 5.637 1.931 392 2HG1 ILE 49 HG1 ILE 49 -0.641 7.273 2.457 393 1HG2 ILE 49 HG2 ILE 49 -2.238 4.229 3.279 394 2HG2 ILE 49 HG2 ILE 49 -2.188 4.325 5.035 395 3HG2 ILE 49 HG2 ILE 49 -0.744 3.857 4.138 396 1HD1 ILE 49 HD1 ILE 49 1.051 4.812 2.594 397 2HD1 ILE 49 HD1 ILE 49 1.389 6.228 3.592 398 3HD1 ILE 49 HD1 ILE 49 1.401 6.363 1.831 399 H THR 50 HN THR 50 -1.574 8.060 6.264 400 HA THR 50 HA THR 50 -0.550 10.386 4.964 401 HB THR 50 HB THR 50 -3.006 10.872 4.962 402 HG1 THR 50 HG1 THR 50 -2.582 12.950 6.278 403 1HG2 THR 50 HG2 THR 50 -3.129 9.861 7.455 404 2HG2 THR 50 HG2 THR 50 -4.298 11.005 6.796 405 3HG2 THR 50 HG2 THR 50 -2.979 11.580 7.816 406 H SER 51 HN SER 51 -0.186 12.175 6.812 407 HA SER 51 HA SER 51 0.471 10.985 9.371 408 1HB SER 51 HB2 SER 51 2.684 12.210 7.716 409 2HB SER 51 HB1 SER 51 2.832 11.373 9.256 410 HG SER 51 HG SER 51 2.132 10.263 6.748 411 H LYS 52 HN LYS 52 0.381 12.453 10.989 412 HA LYS 52 HA LYS 52 -0.652 15.020 10.529 413 1HB LYS 52 HB2 LYS 52 -0.426 13.428 12.715 414 2HB LYS 52 HB1 LYS 52 0.818 14.622 13.060 415 1HG LYS 52 HG2 LYS 52 -0.689 16.341 13.257 416 2HG LYS 52 HG1 LYS 52 -1.889 15.550 12.232 417 1HD LYS 52 HD2 LYS 52 -2.643 14.186 13.943 418 2HD LYS 52 HD1 LYS 52 -1.138 14.329 14.855 419 1HE LYS 52 HE2 LYS 52 -1.723 16.753 15.219 420 2HE LYS 52 HE1 LYS 52 -3.310 16.391 14.540 421 1HZ LYS 52 HZ1 LYS 52 -2.187 14.930 16.860 422 2HZ LYS 52 HZ2 LYS 52 -3.785 14.927 16.308 423 3HZ LYS 52 HZ3 LYS 52 -3.142 16.316 17.026 424 H GLY 53 HN GLY 53 2.601 14.091 11.672 425 1HA GLY 53 HA2 GLY 53 3.885 16.064 10.063 426 2HA GLY 53 HA1 GLY 53 3.761 16.596 11.733 427 H LYS 54 HN LYS 54 4.420 14.727 13.330 428 HA LYS 54 HA LYS 54 7.070 13.844 12.444 429 1HB LYS 54 HB2 LYS 54 7.462 13.499 14.919 430 2HB LYS 54 HB1 LYS 54 7.213 15.163 14.410 431 1HG LYS 54 HG2 LYS 54 5.315 15.377 15.592 432 2HG LYS 54 HG1 LYS 54 4.781 13.734 15.235 433 1HD LYS 54 HD2 LYS 54 5.201 13.539 17.478 434 2HD LYS 54 HD1 LYS 54 6.784 13.103 16.833 435 1HE LYS 54 HE2 LYS 54 6.135 15.947 17.514 436 2HE LYS 54 HE1 LYS 54 6.641 14.814 18.768 437 1HZ LYS 54 HZ1 LYS 54 8.738 14.691 17.942 438 2HZ LYS 54 HZ2 LYS 54 8.365 16.261 17.436 439 3HZ LYS 54 HZ3 LYS 54 8.265 14.977 16.341 440 H ILE 55 HN ILE 55 3.973 12.646 13.016 441 HA ILE 55 HA ILE 55 4.975 9.883 13.297 442 HB ILE 55 HB ILE 55 3.638 10.774 15.236 443 1HG1 ILE 55 HG1 ILE 55 1.818 8.709 14.605 444 2HG1 ILE 55 HG1 ILE 55 3.334 8.290 13.821 445 1HG2 ILE 55 HG2 ILE 55 1.724 11.844 14.908 446 2HG2 ILE 55 HG2 ILE 55 1.040 10.427 14.113 447 3HG2 ILE 55 HG2 ILE 55 1.917 11.629 13.168 448 1HD1 ILE 55 HD1 ILE 55 3.129 9.030 16.718 449 2HD1 ILE 55 HD1 ILE 55 4.508 8.326 15.874 450 3HD1 ILE 55 HD1 ILE 55 3.042 7.375 16.114 451 H ALA 56 HN ALA 56 3.508 8.230 12.286 452 HA ALA 56 HA ALA 56 1.899 9.257 10.068 453 1HB ALA 56 HB1 ALA 56 4.325 7.547 9.829 454 2HB ALA 56 HB2 ALA 56 3.796 8.888 8.818 455 3HB ALA 56 HB3 ALA 56 2.996 7.320 8.698 456 H TYR 57 HN TYR 57 0.379 7.731 9.234 457 HA TYR 57 HA TYR 57 0.123 5.142 10.445 458 1HB TYR 57 HB2 TYR 57 -2.135 5.604 11.435 459 2HB TYR 57 HB1 TYR 57 -0.796 6.375 12.277 460 HD1 TYR 57 HD1 TYR 57 -3.802 6.909 10.292 461 HD2 TYR 57 HD2 TYR 57 -0.477 8.805 12.150 462 HE1 TYR 57 HE1 TYR 57 -4.937 9.080 10.093 463 HE2 TYR 57 HE2 TYR 57 -1.603 10.982 11.955 464 HH TYR 57 HH TYR 57 -3.747 11.780 10.058 465 H ILE 58 HN ILE 58 -1.202 3.789 9.316 466 HA ILE 58 HA ILE 58 -2.248 4.875 6.804 467 HB ILE 58 HB ILE 58 -2.165 2.600 5.950 468 1HG1 ILE 58 HG1 ILE 58 -0.666 1.250 7.946 469 2HG1 ILE 58 HG1 ILE 58 -2.079 1.932 8.743 470 1HG2 ILE 58 HG2 ILE 58 0.471 2.962 7.303 471 2HG2 ILE 58 HG2 ILE 58 -0.112 4.196 6.185 472 3HG2 ILE 58 HG2 ILE 58 0.114 2.539 5.628 473 1HD1 ILE 58 HD1 ILE 58 -2.082 0.108 6.352 474 2HD1 ILE 58 HD1 ILE 58 -3.514 0.842 7.071 475 3HD1 ILE 58 HD1 ILE 58 -2.551 -0.305 8.001 476 H LYS 59 HN LYS 59 -4.336 4.716 6.215 477 HA LYS 59 HA LYS 59 -6.169 3.351 8.074 478 1HB LYS 59 HB2 LYS 59 -6.127 6.104 7.115 479 2HB LYS 59 HB1 LYS 59 -7.676 5.321 6.843 480 1HG LYS 59 HG2 LYS 59 -7.598 4.638 9.275 481 2HG LYS 59 HG1 LYS 59 -6.250 5.762 9.445 482 1HD LYS 59 HD2 LYS 59 -7.829 7.291 9.875 483 2HD LYS 59 HD1 LYS 59 -8.121 7.274 8.134 484 1HE LYS 59 HE2 LYS 59 -9.629 5.873 10.315 485 2HE LYS 59 HE1 LYS 59 -10.239 6.967 9.075 486 1HZ LYS 59 HZ1 LYS 59 -9.537 5.174 7.444 487 2HZ LYS 59 HZ2 LYS 59 -10.890 4.859 8.396 488 3HZ LYS 59 HZ3 LYS 59 -9.413 4.143 8.781 489 H LEU 60 HN LEU 60 -8.085 2.448 7.177 490 HA LEU 60 HA LEU 60 -8.173 2.218 4.261 491 1HB LEU 60 HB2 LEU 60 -8.621 -0.232 4.478 492 2HB LEU 60 HB1 LEU 60 -6.977 0.256 4.834 493 HG LEU 60 HG LEU 60 -8.145 0.290 7.324 494 1HD1 LEU 60 HD1 LEU 60 -10.182 -0.725 6.747 495 2HD1 LEU 60 HD1 LEU 60 -9.197 -2.033 7.402 496 3HD1 LEU 60 HD1 LEU 60 -9.399 -1.871 5.658 497 1HD2 LEU 60 HD2 LEU 60 -6.416 -1.574 5.795 498 2HD2 LEU 60 HD2 LEU 60 -7.041 -2.120 7.352 499 3HD2 LEU 60 HD2 LEU 60 -6.071 -0.650 7.257 500 H GLU 61 HN GLU 61 -10.205 1.361 3.452 501 HA GLU 61 HA GLU 61 -12.466 0.915 5.044 502 1HB GLU 61 HB2 GLU 61 -13.696 3.022 4.690 503 2HB GLU 61 HB1 GLU 61 -12.266 3.246 5.685 504 1HG GLU 61 HG2 GLU 61 -11.672 3.664 2.894 505 2HG GLU 61 HG1 GLU 61 -12.997 4.695 3.434 506 H ASP 62 HN ASP 62 -14.562 1.346 3.666 507 HA ASP 62 HA ASP 62 -14.148 0.014 1.157 508 1HB ASP 62 HB2 ASP 62 -16.022 -0.662 2.534 509 2HB ASP 62 HB1 ASP 62 -16.656 0.977 2.558 510 H LYS 63 HN LYS 63 -14.531 0.829 -0.882 511 HA LYS 63 HA LYS 63 -14.087 3.593 -1.275 512 1HB LYS 63 HB2 LYS 63 -13.372 1.871 -2.878 513 2HB LYS 63 HB1 LYS 63 -15.056 1.533 -3.259 514 1HG LYS 63 HG2 LYS 63 -14.628 4.321 -3.561 515 2HG LYS 63 HG1 LYS 63 -13.338 3.470 -4.395 516 1HD LYS 63 HD2 LYS 63 -15.416 2.010 -5.226 517 2HD LYS 63 HD1 LYS 63 -16.227 3.557 -4.973 518 1HE LYS 63 HE2 LYS 63 -14.594 4.660 -6.404 519 2HE LYS 63 HE1 LYS 63 -13.751 3.129 -6.638 520 1HZ LYS 63 HZ1 LYS 63 -15.303 3.798 -8.462 521 2HZ LYS 63 HZ2 LYS 63 -16.586 3.544 -7.391 522 3HZ LYS 63 HZ3 LYS 63 -15.580 2.256 -7.824 523 H VAL 64 HN VAL 64 -16.857 2.134 -0.271 524 HA VAL 64 HA VAL 64 -18.750 3.594 -1.859 525 HB VAL 64 HB VAL 64 -19.021 1.867 0.597 526 1HG1 VAL 64 HG1 VAL 64 -20.847 3.161 0.985 527 2HG1 VAL 64 HG1 VAL 64 -21.550 2.058 -0.199 528 3HG1 VAL 64 HG1 VAL 64 -20.996 3.657 -0.701 529 1HG2 VAL 64 HG2 VAL 64 -19.415 1.508 -2.329 530 2HG2 VAL 64 HG2 VAL 64 -20.448 0.605 -1.221 531 3HG2 VAL 64 HG2 VAL 64 -18.696 0.419 -1.143 532 H SER 65 HN SER 65 -18.077 3.575 1.657 533 HA SER 65 HA SER 65 -17.757 6.340 1.915 534 1HB SER 65 HB2 SER 65 -20.556 5.391 1.905 535 2HB SER 65 HB1 SER 65 -20.129 6.465 3.237 536 HG SER 65 HG SER 65 -19.575 7.043 0.516 537 H GLY 66 HN GLY 66 -16.124 5.025 3.162 538 1HA GLY 66 HA2 GLY 66 -15.235 4.442 5.192 539 2HA GLY 66 HA1 GLY 66 -16.579 5.301 5.916 540 H GLU 67 HN GLU 67 -15.300 2.215 5.034 541 HA GLU 67 HA GLU 67 -17.674 0.728 5.752 542 1HB GLU 67 HB2 GLU 67 -15.583 0.135 4.161 543 2HB GLU 67 HB1 GLU 67 -15.043 -0.634 5.637 544 1HG GLU 67 HG2 GLU 67 -17.103 -1.941 5.706 545 2HG GLU 67 HG1 GLU 67 -17.646 -1.162 4.222 546 H LEU 68 HN LEU 68 -16.249 -1.374 7.159 547 HA LEU 68 HA LEU 68 -16.746 -0.922 9.761 548 1HB LEU 68 HB2 LEU 68 -14.832 -2.553 10.222 549 2HB LEU 68 HB1 LEU 68 -16.118 -3.093 9.159 550 HG LEU 68 HG LEU 68 -14.442 -2.138 7.304 551 1HD1 LEU 68 HD1 LEU 68 -12.718 -1.379 8.736 552 2HD1 LEU 68 HD1 LEU 68 -12.132 -2.857 7.975 553 3HD1 LEU 68 HD1 LEU 68 -12.709 -2.891 9.641 554 1HD2 LEU 68 HD2 LEU 68 -13.671 -4.414 6.966 555 2HD2 LEU 68 HD2 LEU 68 -15.379 -4.402 7.403 556 3HD2 LEU 68 HD2 LEU 68 -14.165 -4.846 8.603 557 H PHE 69 HN PHE 69 -14.016 0.340 7.988 558 HA PHE 69 HA PHE 69 -12.515 1.958 8.491 559 1HB PHE 69 HB2 PHE 69 -14.479 2.265 10.666 560 2HB PHE 69 HB1 PHE 69 -12.863 2.822 11.073 561 HD1 PHE 69 HD1 PHE 69 -12.216 3.650 8.147 562 HD2 PHE 69 HD2 PHE 69 -15.466 4.446 10.768 563 HE1 PHE 69 HE1 PHE 69 -12.638 5.751 6.964 564 HE2 PHE 69 HE2 PHE 69 -15.903 6.561 9.584 565 HZ PHE 69 HZ PHE 69 -14.486 7.217 7.676 566 H ALA 70 HN ALA 70 -10.441 1.672 8.964 567 HA ALA 70 HA ALA 70 -9.566 0.496 11.429 568 1HB ALA 70 HB1 ALA 70 -9.672 -1.645 10.803 569 2HB ALA 70 HB2 ALA 70 -8.295 -1.286 9.762 570 3HB ALA 70 HB3 ALA 70 -9.933 -1.225 9.110 571 H GLN 71 HN GLN 71 -7.282 0.598 11.719 572 HA GLN 71 HA GLN 71 -5.600 1.596 9.617 573 1HB GLN 71 HB2 GLN 71 -5.076 3.743 10.599 574 2HB GLN 71 HB1 GLN 71 -6.800 3.635 10.297 575 1HG GLN 71 HG2 GLN 71 -6.294 2.714 12.930 576 2HG GLN 71 HG1 GLN 71 -5.474 4.257 12.702 577 1HE2 GLN 71 HE2 GLN 71 -8.568 2.843 11.669 578 2HE2 GLN 71 HE2 GLN 71 -9.542 4.172 12.184 579 H ALA 72 HN ALA 72 -3.375 2.119 10.452 580 HA ALA 72 HA ALA 72 -2.725 0.661 12.917 581 1HB ALA 72 HB1 ALA 72 -2.340 -0.943 11.186 582 2HB ALA 72 HB2 ALA 72 -0.770 -0.358 11.736 583 3HB ALA 72 HB3 ALA 72 -1.451 0.234 10.221 584 HA PRO 73 HA PRO 73 -0.596 4.681 13.194 585 1HB PRO 73 HB2 PRO 73 0.002 4.424 15.854 586 2HB PRO 73 HB1 PRO 73 -1.549 5.017 15.249 587 1HG PRO 73 HG2 PRO 73 -0.814 2.283 16.214 588 2HG PRO 73 HG1 PRO 73 -2.285 3.224 16.525 589 1HD PRO 73 HD2 PRO 73 -2.212 1.236 14.708 590 2HD PRO 73 HD1 PRO 73 -3.214 2.683 14.482 591 H VAL 74 HN VAL 74 1.542 5.109 12.868 592 HA VAL 74 HA VAL 74 3.510 3.156 13.822 593 HB VAL 74 HB VAL 74 4.679 3.173 11.668 594 1HG1 VAL 74 HG1 VAL 74 2.815 1.528 12.329 595 2HG1 VAL 74 HG1 VAL 74 3.346 1.563 10.649 596 3HG1 VAL 74 HG1 VAL 74 1.850 2.370 11.117 597 1HG2 VAL 74 HG2 VAL 74 2.278 4.659 10.616 598 2HG2 VAL 74 HG2 VAL 74 3.659 4.096 9.676 599 3HG2 VAL 74 HG2 VAL 74 3.872 5.366 10.880 600 H GLU 75 HN GLU 75 5.446 3.931 14.380 601 HA GLU 75 HA GLU 75 5.748 6.693 14.961 602 1HB GLU 75 HB2 GLU 75 7.444 4.244 15.251 603 2HB GLU 75 HB1 GLU 75 8.176 5.824 15.484 604 1HG GLU 75 HG2 GLU 75 5.925 5.982 17.035 605 2HG GLU 75 HG1 GLU 75 6.402 4.294 17.217 606 H GLN 76 HN GLN 76 6.014 5.282 12.012 607 HA GLN 76 HA GLN 76 7.247 5.582 10.114 608 1HB GLN 76 HB2 GLN 76 7.394 7.907 9.391 609 2HB GLN 76 HB1 GLN 76 5.840 7.565 10.123 610 1HG GLN 76 HG2 GLN 76 6.138 9.394 11.329 611 2HG GLN 76 HG1 GLN 76 7.354 8.500 12.226 612 1HE2 GLN 76 HE2 GLN 76 9.015 9.775 12.560 613 2HE2 GLN 76 HE2 GLN 76 9.772 10.785 11.380 614 H TYR 77 HN TYR 77 9.227 4.610 10.300 615 HA TYR 77 HA TYR 77 11.482 6.342 10.419 616 1HB TYR 77 HB2 TYR 77 10.847 5.907 12.868 617 2HB TYR 77 HB1 TYR 77 11.466 4.291 12.618 618 HD1 TYR 77 HD1 TYR 77 13.813 5.020 10.808 619 HD2 TYR 77 HD2 TYR 77 12.384 6.698 14.454 620 HE1 TYR 77 HE1 TYR 77 16.083 5.804 11.337 621 HE2 TYR 77 HE2 TYR 77 14.649 7.487 14.986 622 HH TYR 77 HH TYR 77 16.726 7.984 13.927 623 HA PRO 78 HA PRO 78 13.259 2.021 9.381 624 1HB PRO 78 HB2 PRO 78 11.908 -0.227 9.967 625 2HB PRO 78 HB1 PRO 78 12.902 0.595 11.177 626 1HG PRO 78 HG2 PRO 78 9.941 0.750 10.748 627 2HG PRO 78 HG1 PRO 78 10.826 0.515 12.265 628 1HD PRO 78 HD2 PRO 78 9.877 2.930 11.515 629 2HD PRO 78 HD1 PRO 78 11.387 2.743 12.427 630 H GLY 79 HN GLY 79 12.076 3.350 7.548 631 1HA GLY 79 HA2 GLY 79 9.827 2.152 6.266 632 2HA GLY 79 HA1 GLY 79 10.928 3.314 5.533 633 H ILE 80 HN ILE 80 9.885 0.096 5.574 634 HA ILE 80 HA ILE 80 11.325 -0.651 3.313 635 HB ILE 80 HB ILE 80 13.131 -0.616 5.218 636 1HG1 ILE 80 HG1 ILE 80 14.409 -2.328 4.077 637 2HG1 ILE 80 HG1 ILE 80 12.947 -3.024 3.399 638 1HG2 ILE 80 HG2 ILE 80 12.970 -3.373 5.781 639 2HG2 ILE 80 HG2 ILE 80 11.402 -2.670 6.174 640 3HG2 ILE 80 HG2 ILE 80 12.865 -2.018 6.903 641 1HD1 ILE 80 HD1 ILE 80 14.444 -0.605 2.602 642 2HD1 ILE 80 HD1 ILE 80 12.694 -0.590 2.398 643 3HD1 ILE 80 HD1 ILE 80 13.661 -1.836 1.612 644 H ALA 81 HN ALA 81 11.537 -3.407 3.619 645 HA ALA 81 HA ALA 81 10.411 -5.348 3.726 646 1HB ALA 81 HB1 ALA 81 9.856 -5.000 5.987 647 2HB ALA 81 HB2 ALA 81 8.380 -5.501 5.167 648 3HB ALA 81 HB3 ALA 81 8.623 -3.805 5.578 649 H VAL 82 HN VAL 82 10.102 -5.012 1.484 650 HA VAL 82 HA VAL 82 7.280 -5.009 0.789 651 HB VAL 82 HB VAL 82 9.158 -3.294 -0.827 652 1HG1 VAL 82 HG1 VAL 82 7.004 -4.362 -1.762 653 2HG1 VAL 82 HG1 VAL 82 7.280 -2.643 -2.038 654 3HG1 VAL 82 HG1 VAL 82 6.165 -3.165 -0.776 655 1HG2 VAL 82 HG2 VAL 82 7.532 -2.604 1.563 656 2HG2 VAL 82 HG2 VAL 82 7.603 -1.443 0.237 657 3HG2 VAL 82 HG2 VAL 82 9.088 -1.968 1.031 658 H GLU 83 HN GLU 83 6.827 -6.409 -0.818 659 HA GLU 83 HA GLU 83 9.060 -7.461 -2.399 660 1HB GLU 83 HB2 GLU 83 7.090 -9.067 -0.782 661 2HB GLU 83 HB1 GLU 83 7.960 -9.756 -2.146 662 1HG GLU 83 HG2 GLU 83 10.087 -9.048 -0.988 663 2HG GLU 83 HG1 GLU 83 9.093 -8.705 0.427 664 H THR 84 HN THR 84 8.553 -8.122 -4.443 665 HA THR 84 HA THR 84 5.769 -7.699 -5.287 666 HB THR 84 HB THR 84 7.267 -7.150 -7.537 667 HG1 THR 84 HG1 THR 84 9.178 -6.710 -6.782 668 1HG2 THR 84 HG2 THR 84 6.175 -5.214 -5.515 669 2HG2 THR 84 HG2 THR 84 5.359 -5.844 -6.946 670 3HG2 THR 84 HG2 THR 84 6.747 -4.772 -7.123 671 H VAL 85 HN VAL 85 5.776 -8.474 -7.757 672 HA VAL 85 HA VAL 85 5.882 -11.292 -7.655 673 HB VAL 85 HB VAL 85 5.539 -11.052 -10.196 674 1HG1 VAL 85 HG1 VAL 85 3.820 -10.958 -8.055 675 2HG1 VAL 85 HG1 VAL 85 3.369 -11.193 -9.744 676 3HG1 VAL 85 HG1 VAL 85 3.329 -9.579 -9.037 677 1HG2 VAL 85 HG2 VAL 85 6.408 -8.501 -9.782 678 2HG2 VAL 85 HG2 VAL 85 4.658 -8.282 -9.795 679 3HG2 VAL 85 HG2 VAL 85 5.464 -9.021 -11.173 680 H THR 86 HN THR 86 7.737 -12.396 -7.587 681 HA THR 86 HA THR 86 10.225 -11.449 -8.463 682 HB THR 86 HB THR 86 9.500 -14.362 -8.156 683 HG1 THR 86 HG1 THR 86 8.808 -13.272 -6.308 684 1HG2 THR 86 HG2 THR 86 12.033 -13.311 -7.123 685 2HG2 THR 86 HG2 THR 86 11.875 -13.310 -8.879 686 3HG2 THR 86 HG2 THR 86 11.686 -14.814 -7.979 687 H ASP 87 HN ASP 87 7.629 -12.702 -10.272 688 HA ASP 87 HA ASP 87 9.235 -12.595 -12.678 689 1HB ASP 87 HB2 ASP 87 8.685 -15.092 -11.457 690 2HB ASP 87 HB1 ASP 87 7.665 -14.993 -12.889 691 H SER 88 HN SER 88 6.863 -11.252 -11.367 692 HA SER 88 HA SER 88 4.980 -10.185 -12.077 693 1HB SER 88 HB2 SER 88 6.387 -10.158 -14.270 694 2HB SER 88 HB1 SER 88 5.237 -11.379 -14.812 695 HG SER 88 HG SER 88 4.859 -8.668 -14.318 696 H SER 89 HN SER 89 2.872 -10.621 -11.826 697 HA SER 89 HA SER 89 1.441 -12.689 -12.989 698 1HB SER 89 HB2 SER 89 3.132 -13.706 -11.003 699 2HB SER 89 HB1 SER 89 1.532 -13.666 -10.263 700 HG SER 89 HG SER 89 2.284 -14.930 -12.690 701 H ARG 90 HN ARG 90 0.860 -10.146 -12.617 702 HA ARG 90 HA ARG 90 -0.511 -8.557 -11.538 703 1HB ARG 90 HB2 ARG 90 -2.865 -9.245 -11.649 704 2HB ARG 90 HB1 ARG 90 -1.987 -9.705 -13.101 705 1HG ARG 90 HG2 ARG 90 -1.906 -11.834 -11.181 706 2HG ARG 90 HG1 ARG 90 -3.569 -11.327 -11.464 707 1HD ARG 90 HD2 ARG 90 -2.380 -11.403 -13.988 708 2HD ARG 90 HD1 ARG 90 -1.794 -12.843 -13.157 709 HE ARG 90 HE ARG 90 -4.274 -13.214 -12.662 710 1HH1 ARG 90 HH1 ARG 90 -3.050 -11.748 -15.590 711 2HH1 ARG 90 HH1 ARG 90 -4.435 -12.182 -16.529 712 1HH2 ARG 90 HH2 ARG 90 -6.089 -13.787 -13.907 713 2HH2 ARG 90 HH2 ARG 90 -6.157 -13.336 -15.578 714 H TYR 91 HN TYR 91 0.830 -8.893 -9.539 715 HA TYR 91 HA TYR 91 -0.874 -8.942 -7.284 716 1HB TYR 91 HB2 TYR 91 -0.914 -11.262 -7.241 717 2HB TYR 91 HB1 TYR 91 0.735 -11.408 -7.834 718 HD1 TYR 91 HD1 TYR 91 -1.385 -11.222 -4.909 719 HD2 TYR 91 HD2 TYR 91 2.640 -10.956 -6.265 720 HE1 TYR 91 HE1 TYR 91 -0.590 -11.570 -2.607 721 HE2 TYR 91 HE2 TYR 91 3.444 -11.305 -3.968 722 HH TYR 91 HH TYR 91 2.874 -11.750 -1.853 723 H PHE 92 HN PHE 92 0.228 -8.430 -5.274 724 HA PHE 92 HA PHE 92 3.029 -8.051 -5.150 725 1HB PHE 92 HB2 PHE 92 2.915 -5.505 -5.000 726 2HB PHE 92 HB1 PHE 92 2.808 -6.210 -6.609 727 HD1 PHE 92 HD1 PHE 92 1.050 -4.372 -4.014 728 HD2 PHE 92 HD2 PHE 92 0.719 -6.206 -7.835 729 HE1 PHE 92 HE1 PHE 92 -1.052 -3.159 -4.416 730 HE2 PHE 92 HE2 PHE 92 -1.383 -4.997 -8.244 731 HZ PHE 92 HZ PHE 92 -2.272 -3.467 -6.530 732 H VAL 93 HN VAL 93 3.720 -7.222 -3.088 733 HA VAL 93 HA VAL 93 1.556 -6.941 -1.122 734 HB VAL 93 HB VAL 93 2.464 -9.255 -1.074 735 1HG1 VAL 93 HG1 VAL 93 4.946 -8.450 0.262 736 2HG1 VAL 93 HG1 VAL 93 4.888 -8.105 -1.464 737 3HG1 VAL 93 HG1 VAL 93 4.643 -9.752 -0.890 738 1HG2 VAL 93 HG2 VAL 93 1.459 -8.264 0.922 739 2HG2 VAL 93 HG2 VAL 93 3.033 -7.630 1.402 740 3HG2 VAL 93 HG2 VAL 93 2.767 -9.371 1.341 741 H ILE 94 HN ILE 94 2.040 -5.697 0.741 742 HA ILE 94 HA ILE 94 4.598 -4.257 0.712 743 HB ILE 94 HB ILE 94 3.375 -2.130 1.226 744 1HG1 ILE 94 HG1 ILE 94 0.928 -2.759 -0.108 745 2HG1 ILE 94 HG1 ILE 94 1.135 -3.887 1.227 746 1HG2 ILE 94 HG2 ILE 94 4.325 -2.422 -0.943 747 2HG2 ILE 94 HG2 ILE 94 2.728 -1.702 -1.145 748 3HG2 ILE 94 HG2 ILE 94 2.969 -3.421 -1.464 749 1HD1 ILE 94 HD1 ILE 94 0.254 -2.307 2.510 750 2HD1 ILE 94 HD1 ILE 94 0.435 -1.079 1.256 751 3HD1 ILE 94 HD1 ILE 94 1.783 -1.446 2.333 752 H ARG 95 HN ARG 95 5.358 -3.640 2.705 753 HA ARG 95 HA ARG 95 3.687 -4.333 5.034 754 1HB ARG 95 HB2 ARG 95 5.540 -5.979 4.614 755 2HB ARG 95 HB1 ARG 95 6.681 -4.673 4.857 756 1HG ARG 95 HG2 ARG 95 5.814 -4.386 7.157 757 2HG ARG 95 HG1 ARG 95 4.774 -5.789 6.900 758 1HD ARG 95 HD2 ARG 95 6.706 -7.194 6.552 759 2HD ARG 95 HD1 ARG 95 7.767 -5.808 6.652 760 HE ARG 95 HE ARG 95 6.161 -6.401 8.994 761 1HH1 ARG 95 HH1 ARG 95 9.251 -6.559 7.371 762 2HH1 ARG 95 HH1 ARG 95 10.141 -6.863 8.823 763 1HH2 ARG 95 HH2 ARG 95 7.343 -6.817 10.909 764 2HH2 ARG 95 HH2 ARG 95 9.062 -7.011 10.823 765 H ILE 96 HN ILE 96 4.311 -3.219 7.017 766 HA ILE 96 HA ILE 96 5.562 -0.604 6.509 767 HB ILE 96 HB ILE 96 3.194 -1.115 8.317 768 1HG1 ILE 96 HG1 ILE 96 3.205 0.543 5.802 769 2HG1 ILE 96 HG1 ILE 96 2.815 -1.174 5.776 770 1HG2 ILE 96 HG2 ILE 96 4.868 1.296 7.746 771 2HG2 ILE 96 HG2 ILE 96 4.319 0.655 9.294 772 3HG2 ILE 96 HG2 ILE 96 3.180 1.473 8.225 773 1HD1 ILE 96 HD1 ILE 96 1.287 0.123 7.815 774 2HD1 ILE 96 HD1 ILE 96 0.733 -0.740 6.379 775 3HD1 ILE 96 HD1 ILE 96 1.100 0.982 6.286 776 H GLN 97 HN GLN 97 6.702 0.303 8.260 777 HA GLN 97 HA GLN 97 7.037 -1.362 10.631 778 1HB GLN 97 HB2 GLN 97 8.778 -1.855 8.736 779 2HB GLN 97 HB1 GLN 97 9.516 -0.367 9.301 780 1HG GLN 97 HG2 GLN 97 10.431 -1.393 11.030 781 2HG GLN 97 HG1 GLN 97 8.878 -2.068 11.522 782 1HE2 GLN 97 HE2 GLN 97 11.728 -3.098 11.282 783 2HE2 GLN 97 HE2 GLN 97 11.552 -4.600 10.447 784 H ASP 98 HN ASP 98 7.955 -0.262 12.428 785 HA ASP 98 HA ASP 98 8.701 2.466 12.295 786 1HB ASP 98 HB2 ASP 98 6.766 3.441 13.414 787 2HB ASP 98 HB1 ASP 98 6.356 2.794 11.833 788 H GLY 99 HN GLY 99 9.419 3.324 14.254 789 1HA GLY 99 HA2 GLY 99 10.166 3.296 16.431 790 2HA GLY 99 HA1 GLY 99 8.972 2.052 16.760 791 H THR 100 HN THR 100 10.263 0.451 14.480 792 HA THR 100 HA THR 100 12.004 -0.994 14.143 793 HB THR 100 HB THR 100 13.310 -0.215 16.730 794 HG1 THR 100 HG1 THR 100 14.366 1.467 15.583 795 1HG2 THR 100 HG2 THR 100 14.529 -1.893 15.716 796 2HG2 THR 100 HG2 THR 100 15.343 -0.424 15.171 797 3HG2 THR 100 HG2 THR 100 14.229 -1.268 14.095 798 H GLY 101 HN GLY 101 9.591 -1.620 15.282 799 1HA GLY 101 HA2 GLY 101 10.188 -4.095 16.560 800 2HA GLY 101 HA1 GLY 101 9.556 -2.934 17.715 801 H ARG 102 HN ARG 102 7.849 -1.726 15.510 802 HA ARG 102 HA ARG 102 5.806 -3.850 15.454 803 1HB ARG 102 HB2 ARG 102 5.411 -0.859 15.675 804 2HB ARG 102 HB1 ARG 102 4.115 -2.035 15.510 805 1HG ARG 102 HG2 ARG 102 6.056 -1.836 17.802 806 2HG ARG 102 HG1 ARG 102 4.358 -1.353 17.819 807 1HD ARG 102 HD2 ARG 102 3.878 -3.788 17.142 808 2HD ARG 102 HD1 ARG 102 5.532 -4.110 17.659 809 HE ARG 102 HE ARG 102 4.217 -2.721 19.702 810 1HH1 ARG 102 HH1 ARG 102 4.131 -5.836 18.129 811 2HH1 ARG 102 HH1 ARG 102 3.538 -6.666 19.528 812 1HH2 ARG 102 HH2 ARG 102 3.436 -3.812 21.543 813 2HH2 ARG 102 HH2 ARG 102 3.142 -5.517 21.466 814 H SER 103 HN SER 103 5.441 -4.592 13.475 815 HA SER 103 HA SER 103 5.266 -2.728 11.238 816 1HB SER 103 HB2 SER 103 6.668 -4.778 10.060 817 2HB SER 103 HB1 SER 103 7.367 -3.246 10.580 818 HG SER 103 HG SER 103 8.463 -4.313 12.003 819 H ALA 104 HN ALA 104 3.658 -3.242 9.866 820 HA ALA 104 HA ALA 104 2.396 -5.890 10.168 821 1HB ALA 104 HB1 ALA 104 0.851 -3.755 8.859 822 2HB ALA 104 HB2 ALA 104 1.233 -3.476 10.558 823 3HB ALA 104 HB3 ALA 104 0.358 -4.931 10.078 824 H PHE 105 HN PHE 105 2.025 -7.158 8.415 825 HA PHE 105 HA PHE 105 3.056 -6.190 5.830 826 1HB PHE 105 HB2 PHE 105 3.820 -8.417 7.254 827 2HB PHE 105 HB1 PHE 105 2.652 -9.086 6.122 828 HD1 PHE 105 HD1 PHE 105 3.156 -7.332 3.766 829 HD2 PHE 105 HD2 PHE 105 5.840 -9.243 6.460 830 HE1 PHE 105 HE1 PHE 105 4.886 -7.374 2.012 831 HE2 PHE 105 HE2 PHE 105 7.573 -9.285 4.714 832 HZ PHE 105 HZ PHE 105 7.095 -8.350 2.485 833 H ILE 106 HN ILE 106 1.639 -5.888 4.249 834 HA ILE 106 HA ILE 106 -0.845 -7.459 4.216 835 HB ILE 106 HB ILE 106 -0.842 -4.530 3.517 836 1HG1 ILE 106 HG1 ILE 106 -0.165 -4.947 5.945 837 2HG1 ILE 106 HG1 ILE 106 -1.571 -3.922 5.686 838 1HG2 ILE 106 HG2 ILE 106 -2.866 -5.060 2.777 839 2HG2 ILE 106 HG2 ILE 106 -3.335 -5.325 4.456 840 3HG2 ILE 106 HG2 ILE 106 -2.768 -6.677 3.476 841 1HD1 ILE 106 HD1 ILE 106 -1.469 -5.979 7.430 842 2HD1 ILE 106 HD1 ILE 106 -2.170 -6.771 6.018 843 3HD1 ILE 106 HD1 ILE 106 -2.952 -5.351 6.712 844 H GLY 107 HN GLY 107 -1.821 -7.621 2.064 845 1HA GLY 107 HA2 GLY 107 0.132 -7.042 -0.068 846 2HA GLY 107 HA1 GLY 107 -0.834 -8.509 -0.031 847 H ILE 108 HN ILE 108 -0.720 -6.599 -2.167 848 HA ILE 108 HA ILE 108 -3.563 -5.959 -2.284 849 HB ILE 108 HB ILE 108 -1.369 -3.963 -2.843 850 1HG1 ILE 108 HG1 ILE 108 -3.074 -2.736 -1.150 851 2HG1 ILE 108 HG1 ILE 108 -3.292 -4.406 -0.638 852 1HG2 ILE 108 HG2 ILE 108 -2.846 -2.527 -3.844 853 2HG2 ILE 108 HG2 ILE 108 -4.245 -3.221 -3.027 854 3HG2 ILE 108 HG2 ILE 108 -3.514 -4.060 -4.391 855 1HD1 ILE 108 HD1 ILE 108 -0.996 -2.608 -0.308 856 2HD1 ILE 108 HD1 ILE 108 -0.604 -4.276 -0.723 857 3HD1 ILE 108 HD1 ILE 108 -1.568 -3.927 0.712 858 H GLY 109 HN GLY 109 -4.407 -5.773 -4.425 859 1HA GLY 109 HA2 GLY 109 -2.726 -6.164 -6.715 860 2HA GLY 109 HA1 GLY 109 -3.559 -7.636 -6.244 861 H PHE 110 HN PHE 110 -4.368 -7.236 -8.529 862 HA PHE 110 HA PHE 110 -7.035 -6.170 -8.325 863 1HB PHE 110 HB2 PHE 110 -5.179 -4.334 -9.087 864 2HB PHE 110 HB1 PHE 110 -5.635 -5.000 -10.652 865 HD1 PHE 110 HD1 PHE 110 -7.496 -4.105 -7.535 866 HD2 PHE 110 HD2 PHE 110 -7.138 -3.647 -11.750 867 HE1 PHE 110 HE1 PHE 110 -9.502 -2.683 -7.549 868 HE2 PHE 110 HE2 PHE 110 -9.142 -2.230 -11.772 869 HZ PHE 110 HZ PHE 110 -10.328 -1.743 -9.670 870 H THR 111 HN THR 111 -8.347 -6.677 -10.211 871 HA THR 111 HA THR 111 -7.798 -9.259 -11.220 872 HB THR 111 HB THR 111 -9.814 -7.364 -12.405 873 HG1 THR 111 HG1 THR 111 -10.421 -8.989 -10.197 874 1HG2 THR 111 HG2 THR 111 -10.305 -9.203 -13.559 875 2HG2 THR 111 HG2 THR 111 -11.019 -9.784 -12.055 876 3HG2 THR 111 HG2 THR 111 -9.371 -10.243 -12.483 877 H ASP 112 HN ASP 112 -6.359 -6.456 -12.098 878 HA ASP 112 HA ASP 112 -5.543 -7.532 -14.660 879 1HB ASP 112 HB2 ASP 112 -7.192 -5.089 -14.320 880 2HB ASP 112 HB1 ASP 112 -5.838 -4.968 -15.440 881 H ARG 113 HN ARG 113 -3.759 -6.104 -15.611 882 HA ARG 113 HA ARG 113 -1.899 -5.487 -13.459 883 1HB ARG 113 HB2 ARG 113 -1.677 -6.189 -16.325 884 2HB ARG 113 HB1 ARG 113 -0.455 -5.083 -15.712 885 1HG ARG 113 HG2 ARG 113 -0.747 -7.215 -13.852 886 2HG ARG 113 HG1 ARG 113 -0.569 -7.898 -15.468 887 1HD ARG 113 HD2 ARG 113 1.565 -7.192 -15.675 888 2HD ARG 113 HD1 ARG 113 1.259 -5.684 -14.819 889 HE ARG 113 HE ARG 113 1.948 -8.264 -13.614 890 1HH1 ARG 113 HH1 ARG 113 1.268 -4.857 -13.229 891 2HH1 ARG 113 HH1 ARG 113 1.912 -4.785 -11.626 892 1HH2 ARG 113 HH2 ARG 113 2.787 -8.165 -11.499 893 2HH2 ARG 113 HH2 ARG 113 2.772 -6.660 -10.643 894 H GLY 114 HN GLY 114 -3.421 -3.891 -16.233 895 1HA GLY 114 HA2 GLY 114 -2.109 -1.481 -16.281 896 2HA GLY 114 HA1 GLY 114 -3.823 -1.657 -16.624 897 H ASP 115 HN ASP 115 -5.025 -2.143 -14.326 898 HA ASP 115 HA ASP 115 -4.960 0.335 -12.977 899 1HB ASP 115 HB2 ASP 115 -6.581 -2.035 -12.946 900 2HB ASP 115 HB1 ASP 115 -6.208 -1.563 -11.291 901 H ALA 116 HN ALA 116 -3.917 -2.912 -11.957 902 HA ALA 116 HA ALA 116 -2.987 -2.288 -9.426 903 1HB ALA 116 HB1 ALA 116 -1.228 -4.199 -10.165 904 2HB ALA 116 HB2 ALA 116 -2.479 -4.422 -11.387 905 3HB ALA 116 HB3 ALA 116 -2.890 -4.523 -9.675 906 H PHE 117 HN PHE 117 -1.623 -1.534 -12.521 907 HA PHE 117 HA PHE 117 1.040 -1.034 -11.629 908 1HB PHE 117 HB2 PHE 117 0.598 -1.514 -13.978 909 2HB PHE 117 HB1 PHE 117 -0.428 -0.088 -14.101 910 HD1 PHE 117 HD1 PHE 117 0.569 2.165 -14.010 911 HD2 PHE 117 HD2 PHE 117 2.963 -1.352 -14.103 912 HE1 PHE 117 HE1 PHE 117 2.522 3.517 -14.655 913 HE2 PHE 117 HE2 PHE 117 4.919 -0.007 -14.748 914 HZ PHE 117 HZ PHE 117 4.701 2.430 -15.025 915 H ASP 118 HN ASP 118 -1.478 1.223 -12.764 916 HA ASP 118 HA ASP 118 -0.307 3.591 -12.041 917 1HB ASP 118 HB2 ASP 118 -3.259 3.024 -11.751 918 2HB ASP 118 HB1 ASP 118 -2.497 4.580 -12.067 919 H PHE 119 HN PHE 119 -2.252 1.446 -10.001 920 HA PHE 119 HA PHE 119 -2.421 3.078 -7.747 921 1HB PHE 119 HB2 PHE 119 -3.804 1.237 -7.584 922 2HB PHE 119 HB1 PHE 119 -2.584 0.129 -8.203 923 HD1 PHE 119 HD1 PHE 119 -0.878 -0.787 -6.726 924 HD2 PHE 119 HD2 PHE 119 -3.916 1.793 -5.253 925 HE1 PHE 119 HE1 PHE 119 -0.311 -1.441 -4.441 926 HE2 PHE 119 HE2 PHE 119 -3.365 1.125 -2.954 927 HZ PHE 119 HZ PHE 119 -1.563 -0.496 -2.537 928 H ASN 120 HN ASN 120 -0.192 0.314 -8.121 929 HA ASN 120 HA ASN 120 1.382 0.842 -5.921 930 1HB ASN 120 HB2 ASN 120 1.351 -1.089 -7.827 931 2HB ASN 120 HB1 ASN 120 2.826 -0.230 -8.263 932 1HD2 ASN 120 HD2 ASN 120 4.284 -1.727 -7.628 933 2HD2 ASN 120 HD2 ASN 120 4.500 -2.236 -5.993 934 H VAL 121 HN VAL 121 2.026 1.836 -9.294 935 HA VAL 121 HA VAL 121 4.397 3.202 -8.826 936 HB VAL 121 HB VAL 121 3.976 4.450 -10.878 937 1HG1 VAL 121 HG1 VAL 121 4.503 2.641 -12.057 938 2HG1 VAL 121 HG1 VAL 121 2.898 1.947 -11.838 939 3HG1 VAL 121 HG1 VAL 121 4.145 1.686 -10.619 940 1HG2 VAL 121 HG2 VAL 121 1.917 4.442 -12.037 941 2HG2 VAL 121 HG2 VAL 121 1.521 4.819 -10.360 942 3HG2 VAL 121 HG2 VAL 121 1.248 3.199 -10.987 943 H SER 122 HN SER 122 1.109 4.173 -8.187 944 HA SER 122 HA SER 122 1.604 6.953 -7.921 945 1HB SER 122 HB2 SER 122 -0.604 5.141 -6.978 946 2HB SER 122 HB1 SER 122 -0.560 6.838 -6.507 947 HG SER 122 HG SER 122 -0.662 5.784 -9.138 948 H LEU 123 HN LEU 123 1.391 4.324 -5.532 949 HA LEU 123 HA LEU 123 1.796 5.803 -3.223 950 1HB LEU 123 HB2 LEU 123 1.222 3.574 -2.892 951 2HB LEU 123 HB1 LEU 123 2.439 2.989 -4.009 952 HG LEU 123 HG LEU 123 3.566 4.332 -1.660 953 1HD1 LEU 123 HD1 LEU 123 1.381 2.614 -1.188 954 2HD1 LEU 123 HD1 LEU 123 2.515 3.282 -0.017 955 3HD1 LEU 123 HD1 LEU 123 2.840 1.720 -0.766 956 1HD2 LEU 123 HD2 LEU 123 4.958 3.122 -3.206 957 2HD2 LEU 123 HD2 LEU 123 3.989 1.662 -2.997 958 3HD2 LEU 123 HD2 LEU 123 4.958 2.279 -1.657 959 H GLN 124 HN GLN 124 4.075 4.759 -5.642 960 HA GLN 124 HA GLN 124 6.417 5.395 -4.117 961 1HB GLN 124 HB2 GLN 124 6.414 3.729 -5.961 962 2HB GLN 124 HB1 GLN 124 6.148 5.036 -7.106 963 1HG GLN 124 HG2 GLN 124 8.374 4.997 -7.304 964 2HG GLN 124 HG1 GLN 124 8.339 5.947 -5.819 965 1HE2 GLN 124 HE2 GLN 124 7.646 3.963 -4.006 966 2HE2 GLN 124 HE2 GLN 124 8.948 2.838 -3.881 967 H ASP 125 HN ASP 125 4.731 6.973 -6.824 968 HA ASP 125 HA ASP 125 6.355 9.158 -7.202 969 1HB ASP 125 HB2 ASP 125 3.977 8.389 -8.227 970 2HB ASP 125 HB1 ASP 125 3.450 9.733 -7.220 971 H HIS 126 HN HIS 126 3.774 8.777 -4.805 972 HA HIS 126 HA HIS 126 4.104 11.401 -3.714 973 1HB HIS 126 HB2 HIS 126 2.506 8.979 -3.029 974 2HB HIS 126 HB1 HIS 126 2.752 10.189 -1.774 975 HD2 HIS 126 HD2 HIS 126 -0.240 9.750 -3.018 976 HE1 HIS 126 HE1 HIS 126 0.478 13.457 -4.954 977 HE2 HIS 126 HE2 HIS 126 -1.273 11.864 -4.091 978 H PHE 127 HN PHE 127 4.953 8.135 -2.572 979 HA PHE 127 HA PHE 127 6.145 8.870 -0.174 980 1HB PHE 127 HB2 PHE 127 5.589 6.527 -1.017 981 2HB PHE 127 HB1 PHE 127 7.115 6.580 -1.885 982 HD1 PHE 127 HD1 PHE 127 9.240 6.901 -0.560 983 HD2 PHE 127 HD2 PHE 127 5.503 5.961 1.248 984 HE1 PHE 127 HE1 PHE 127 10.415 6.119 1.454 985 HE2 PHE 127 HE2 PHE 127 6.673 5.179 3.267 986 HZ PHE 127 HZ PHE 127 9.132 5.258 3.372 987 H LYS 128 HN LYS 128 8.256 7.610 -2.734 988 HA LYS 128 HA LYS 128 10.267 9.561 -1.951 989 1HB LYS 128 HB2 LYS 128 11.705 8.207 -3.576 990 2HB LYS 128 HB1 LYS 128 11.177 7.402 -2.105 991 1HG LYS 128 HG2 LYS 128 9.533 6.156 -3.272 992 2HG LYS 128 HG1 LYS 128 9.744 7.124 -4.733 993 1HD LYS 128 HD2 LYS 128 12.168 5.787 -3.706 994 2HD LYS 128 HD1 LYS 128 10.911 4.725 -4.342 995 1HE LYS 128 HE2 LYS 128 12.386 5.249 -6.139 996 2HE LYS 128 HE1 LYS 128 10.883 6.129 -6.410 997 1HZ LYS 128 HZ1 LYS 128 13.228 7.284 -6.606 998 2HZ LYS 128 HZ2 LYS 128 13.005 7.502 -4.944 999 3HZ LYS 128 HZ3 LYS 128 11.873 8.121 -6.036 1000 H TRP 129 HN TRP 129 11.375 10.890 -3.464 1001 HA TRP 129 HA TRP 129 10.302 11.176 -6.136 1002 1HB TRP 129 HB2 TRP 129 9.325 12.813 -4.007 1003 2HB TRP 129 HB1 TRP 129 10.280 13.825 -5.086 1004 HD1 TRP 129 HD1 TRP 129 9.362 12.030 -7.742 1005 HE1 TRP 129 HE1 TRP 129 7.021 12.512 -8.707 1006 HE3 TRP 129 HE3 TRP 129 7.251 14.297 -3.673 1007 HZ2 TRP 129 HZ2 TRP 129 4.612 13.707 -7.862 1008 HZ3 TRP 129 HZ3 TRP 129 4.924 15.080 -3.836 1009 HH2 TRP 129 HH2 TRP 129 3.633 14.790 -5.888 1010 H VAL 130 HN VAL 130 12.482 10.580 -6.625 1011 HA VAL 130 HA VAL 130 14.246 12.886 -6.753 1012 HB VAL 130 HB VAL 130 15.304 10.299 -5.627 1013 1HG1 VAL 130 HG1 VAL 130 17.293 11.197 -6.024 1014 2HG1 VAL 130 HG1 VAL 130 16.887 12.554 -4.973 1015 3HG1 VAL 130 HG1 VAL 130 16.529 12.636 -6.697 1016 1HG2 VAL 130 HG2 VAL 130 13.756 11.245 -4.016 1017 2HG2 VAL 130 HG2 VAL 130 14.545 12.817 -4.148 1018 3HG2 VAL 130 HG2 VAL 130 15.415 11.448 -3.455 1019 H LYS 131 HN LYS 131 12.710 11.087 -8.584 1020 HA LYS 131 HA LYS 131 14.789 9.693 -10.061 1021 1HB LYS 131 HB2 LYS 131 12.310 8.947 -9.702 1022 2HB LYS 131 HB1 LYS 131 11.974 10.042 -11.036 1023 1HG LYS 131 HG2 LYS 131 12.222 7.822 -11.894 1024 2HG LYS 131 HG1 LYS 131 13.600 8.791 -12.419 1025 1HD LYS 131 HD2 LYS 131 14.970 7.281 -11.533 1026 2HD LYS 131 HD1 LYS 131 14.301 7.631 -9.938 1027 1HE LYS 131 HE2 LYS 131 12.890 5.769 -11.813 1028 2HE LYS 131 HE1 LYS 131 14.242 5.200 -10.834 1029 1HZ LYS 131 HZ1 LYS 131 12.436 4.756 -9.504 1030 2HZ LYS 131 HZ2 LYS 131 11.595 6.149 -9.964 1031 3HZ LYS 131 HZ3 LYS 131 12.914 6.268 -8.912 1032 H GLN 132 HN GLN 132 12.625 12.462 -10.485 1033 HA GLN 132 HA GLN 132 13.781 13.128 -13.050 1034 1HB GLN 132 HB2 GLN 132 11.922 14.853 -11.423 1035 2HB GLN 132 HB1 GLN 132 12.169 14.866 -13.165 1036 1HG GLN 132 HG2 GLN 132 11.339 12.268 -12.523 1037 2HG GLN 132 HG1 GLN 132 10.305 13.356 -11.599 1038 1HE2 GLN 132 HE2 GLN 132 11.274 12.311 -14.761 1039 2HE2 GLN 132 HE2 GLN 132 9.998 13.083 -15.633 1040 H GLU 133 HN GLU 133 15.306 14.630 -13.458 1041 HA GLU 133 HA GLU 133 16.068 16.549 -11.408 1042 1HB GLU 133 HB2 GLU 133 17.572 14.139 -11.942 1043 2HB GLU 133 HB1 GLU 133 18.536 15.560 -12.323 1044 1HG GLU 133 HG2 GLU 133 17.238 16.011 -9.840 1045 2HG GLU 133 HG1 GLU 133 17.991 14.417 -9.794 Start of MODEL 5 1 1H MET 1 HT1 MET 1 -15.949 21.100 4.683 2 2H MET 1 HT2 MET 1 -17.357 20.761 3.762 3 3H MET 1 HT3 MET 1 -15.855 21.029 2.973 4 HA MET 1 HA MET 1 -16.037 18.900 4.938 5 1HB MET 1 HB2 MET 1 -17.312 18.948 2.212 6 2HB MET 1 HB1 MET 1 -16.736 17.441 2.911 7 1HG MET 1 HG2 MET 1 -18.189 17.887 4.886 8 2HG MET 1 HG1 MET 1 -18.853 19.269 4.016 9 1HE MET 1 HE1 MET 1 -21.935 17.559 2.902 10 2HE MET 1 HE2 MET 1 -21.046 19.081 2.953 11 3HE MET 1 HE3 MET 1 -21.302 18.160 4.435 12 H ALA 2 HN ALA 2 -13.767 20.074 4.670 13 HA ALA 2 HA ALA 2 -12.016 18.214 3.537 14 1HB ALA 2 HB1 ALA 2 -11.075 19.846 1.745 15 2HB ALA 2 HB2 ALA 2 -12.697 20.537 1.785 16 3HB ALA 2 HB3 ALA 2 -12.473 18.841 1.362 17 H ALA 3 HN ALA 3 -9.711 19.253 3.279 18 HA ALA 3 HA ALA 3 -9.219 21.589 4.881 19 1HB ALA 3 HB1 ALA 3 -9.005 20.609 6.861 20 2HB ALA 3 HB2 ALA 3 -7.638 19.696 6.221 21 3HB ALA 3 HB3 ALA 3 -9.264 19.016 6.152 22 H GLU 4 HN GLU 4 -6.825 21.958 5.150 23 HA GLU 4 HA GLU 4 -5.139 20.561 3.235 24 1HB GLU 4 HB2 GLU 4 -4.544 22.519 1.980 25 2HB GLU 4 HB1 GLU 4 -6.298 22.385 1.968 26 1HG GLU 4 HG2 GLU 4 -6.172 23.985 4.006 27 2HG GLU 4 HG1 GLU 4 -4.560 24.347 3.392 28 H LEU 5 HN LEU 5 -3.100 20.405 3.947 29 HA LEU 5 HA LEU 5 -2.088 22.356 5.885 30 1HB LEU 5 HB2 LEU 5 -2.824 19.626 6.466 31 2HB LEU 5 HB1 LEU 5 -1.106 19.853 6.723 32 HG LEU 5 HG LEU 5 -2.134 20.238 8.809 33 1HD1 LEU 5 HD1 LEU 5 -1.146 22.189 9.337 34 2HD1 LEU 5 HD1 LEU 5 -1.984 23.083 8.069 35 3HD1 LEU 5 HD1 LEU 5 -0.569 22.108 7.673 36 1HD2 LEU 5 HD2 LEU 5 -4.355 20.571 8.655 37 2HD2 LEU 5 HD2 LEU 5 -4.220 21.524 7.177 38 3HD2 LEU 5 HD2 LEU 5 -3.897 22.272 8.742 39 H GLU 6 HN GLU 6 -0.198 23.090 5.148 40 HA GLU 6 HA GLU 6 1.290 21.563 3.174 41 1HB GLU 6 HB2 GLU 6 1.857 24.299 4.340 42 2HB GLU 6 HB1 GLU 6 2.705 23.565 2.988 43 1HG GLU 6 HG2 GLU 6 1.182 24.276 1.552 44 2HG GLU 6 HG1 GLU 6 -0.129 23.580 2.503 45 H TYR 7 HN TYR 7 2.146 19.849 4.333 46 HA TYR 7 HA TYR 7 4.554 20.456 5.799 47 1HB TYR 7 HB2 TYR 7 2.276 20.198 7.312 48 2HB TYR 7 HB1 TYR 7 2.917 18.559 7.332 49 HD1 TYR 7 HD1 TYR 7 3.920 22.094 7.936 50 HD2 TYR 7 HD2 TYR 7 4.605 17.993 8.832 51 HE1 TYR 7 HE1 TYR 7 5.522 22.749 9.682 52 HE2 TYR 7 HE2 TYR 7 6.209 18.636 10.580 53 HH TYR 7 HH TYR 7 6.386 21.425 11.980 54 H GLU 8 HN GLU 8 5.206 18.055 6.830 55 HA GLU 8 HA GLU 8 5.702 16.504 4.471 56 1HB GLU 8 HB2 GLU 8 6.347 15.853 7.354 57 2HB GLU 8 HB1 GLU 8 7.012 15.052 5.936 58 1HG GLU 8 HG2 GLU 8 7.386 17.973 6.537 59 2HG GLU 8 HG1 GLU 8 8.523 16.714 7.015 60 H SER 9 HN SER 9 4.018 15.419 3.662 61 HA SER 9 HA SER 9 2.917 13.263 5.219 62 1HB SER 9 HB2 SER 9 1.465 15.168 5.859 63 2HB SER 9 HB1 SER 9 1.049 15.395 4.159 64 HG SER 9 HG SER 9 0.131 13.322 4.169 65 H VAL 10 HN VAL 10 2.808 11.572 3.949 66 HA VAL 10 HA VAL 10 3.396 11.515 1.260 67 HB VAL 10 HB VAL 10 2.412 9.246 1.226 68 1HG1 VAL 10 HG1 VAL 10 3.726 9.113 3.810 69 2HG1 VAL 10 HG1 VAL 10 4.572 10.174 2.684 70 3HG1 VAL 10 HG1 VAL 10 4.252 8.497 2.244 71 1HG2 VAL 10 HG2 VAL 10 0.473 9.338 2.513 72 2HG2 VAL 10 HG2 VAL 10 1.281 10.147 3.851 73 3HG2 VAL 10 HG2 VAL 10 1.589 8.441 3.540 74 H LEU 11 HN LEU 11 0.181 11.690 2.764 75 HA LEU 11 HA LEU 11 -1.864 12.181 1.963 76 1HB LEU 11 HB2 LEU 11 -2.040 13.997 0.591 77 2HB LEU 11 HB1 LEU 11 -0.406 14.174 1.191 78 HG LEU 11 HG LEU 11 -0.338 12.662 -1.249 79 1HD1 LEU 11 HD1 LEU 11 -1.888 15.240 -1.357 80 2HD1 LEU 11 HD1 LEU 11 -2.415 13.642 -1.886 81 3HD1 LEU 11 HD1 LEU 11 -1.133 14.480 -2.759 82 1HD2 LEU 11 HD2 LEU 11 0.598 15.469 -0.682 83 2HD2 LEU 11 HD2 LEU 11 1.197 14.373 -1.928 84 3HD2 LEU 11 HD2 LEU 11 1.480 14.011 -0.225 85 H CYS 12 HN CYS 12 -0.610 9.681 1.078 86 HA CYS 12 HA CYS 12 -1.475 9.276 -1.629 87 1HB CYS 12 HB2 CYS 12 -0.757 7.199 0.441 88 2HB CYS 12 HB1 CYS 12 -0.897 6.938 -1.292 89 HG CYS 12 HG CYS 12 1.565 7.863 0.112 90 H VAL 13 HN VAL 13 -3.253 8.175 -2.350 91 HA VAL 13 HA VAL 13 -5.206 7.087 -0.529 92 HB VAL 13 HB VAL 13 -7.043 8.566 -1.328 93 1HG1 VAL 13 HG1 VAL 13 -5.597 8.927 0.804 94 2HG1 VAL 13 HG1 VAL 13 -6.734 10.169 0.298 95 3HG1 VAL 13 HG1 VAL 13 -5.014 10.347 -0.053 96 1HG2 VAL 13 HG2 VAL 13 -6.758 10.276 -2.767 97 2HG2 VAL 13 HG2 VAL 13 -5.342 9.350 -3.266 98 3HG2 VAL 13 HG2 VAL 13 -5.166 10.688 -2.130 99 H LYS 14 HN LYS 14 -7.064 6.141 -1.711 100 HA LYS 14 HA LYS 14 -7.114 6.046 -4.521 101 1HB LYS 14 HB2 LYS 14 -5.047 4.570 -3.639 102 2HB LYS 14 HB1 LYS 14 -6.321 3.360 -3.565 103 1HG LYS 14 HG2 LYS 14 -5.076 3.328 -5.689 104 2HG LYS 14 HG1 LYS 14 -6.796 3.646 -5.909 105 1HD LYS 14 HD2 LYS 14 -6.190 6.112 -5.943 106 2HD LYS 14 HD1 LYS 14 -4.508 5.599 -6.059 107 1HE LYS 14 HE2 LYS 14 -5.398 4.156 -8.049 108 2HE LYS 14 HE1 LYS 14 -6.726 5.317 -8.037 109 1HZ LYS 14 HZ1 LYS 14 -4.592 5.739 -9.457 110 2HZ LYS 14 HZ2 LYS 14 -3.976 6.332 -7.998 111 3HZ LYS 14 HZ3 LYS 14 -5.367 7.020 -8.669 112 HA PRO 15 HA PRO 15 -11.054 4.799 -2.700 113 1HB PRO 15 HB2 PRO 15 -12.556 5.657 -4.788 114 2HB PRO 15 HB1 PRO 15 -11.939 6.749 -3.544 115 1HG PRO 15 HG2 PRO 15 -10.863 6.203 -6.280 116 2HG PRO 15 HG1 PRO 15 -11.051 7.754 -5.441 117 1HD PRO 15 HD2 PRO 15 -8.683 6.457 -5.601 118 2HD PRO 15 HD1 PRO 15 -9.129 7.464 -4.209 119 H ASP 16 HN ASP 16 -9.688 4.042 -5.832 120 HA ASP 16 HA ASP 16 -11.398 1.648 -5.972 121 1HB ASP 16 HB2 ASP 16 -10.020 3.173 -8.189 122 2HB ASP 16 HB1 ASP 16 -10.890 1.658 -8.414 123 H VAL 17 HN VAL 17 -10.104 0.282 -4.731 124 HA VAL 17 HA VAL 17 -7.833 -0.839 -6.136 125 HB VAL 17 HB VAL 17 -6.531 -0.820 -3.872 126 1HG1 VAL 17 HG1 VAL 17 -6.694 1.566 -5.706 127 2HG1 VAL 17 HG1 VAL 17 -5.686 0.134 -5.919 128 3HG1 VAL 17 HG1 VAL 17 -5.374 1.242 -4.582 129 1HG2 VAL 17 HG2 VAL 17 -6.852 1.434 -2.745 130 2HG2 VAL 17 HG2 VAL 17 -8.087 0.215 -2.432 131 3HG2 VAL 17 HG2 VAL 17 -8.405 1.517 -3.578 132 H SER 18 HN SER 18 -7.159 -2.904 -5.280 133 HA SER 18 HA SER 18 -9.205 -4.147 -3.558 134 1HB SER 18 HB2 SER 18 -8.723 -6.265 -4.825 135 2HB SER 18 HB1 SER 18 -9.478 -4.997 -5.789 136 HG SER 18 HG SER 18 -6.775 -5.826 -5.785 137 H VAL 19 HN VAL 19 -8.473 -4.958 -1.706 138 HA VAL 19 HA VAL 19 -5.579 -5.287 -1.370 139 HB VAL 19 HB VAL 19 -7.206 -5.654 1.020 140 1HG1 VAL 19 HG1 VAL 19 -4.635 -4.717 0.287 141 2HG1 VAL 19 HG1 VAL 19 -5.266 -5.062 1.896 142 3HG1 VAL 19 HG1 VAL 19 -5.445 -3.449 1.206 143 1HG2 VAL 19 HG2 VAL 19 -7.556 -3.087 1.156 144 2HG2 VAL 19 HG2 VAL 19 -8.730 -4.079 0.292 145 3HG2 VAL 19 HG2 VAL 19 -7.516 -3.168 -0.605 146 H TYR 20 HN TYR 20 -4.817 -7.067 0.006 147 HA TYR 20 HA TYR 20 -6.422 -9.519 -0.277 148 1HB TYR 20 HB2 TYR 20 -3.606 -8.976 -1.113 149 2HB TYR 20 HB1 TYR 20 -3.990 -10.574 -0.485 150 HD1 TYR 20 HD1 TYR 20 -4.921 -12.191 -1.892 151 HD2 TYR 20 HD2 TYR 20 -5.024 -8.107 -3.073 152 HE1 TYR 20 HE1 TYR 20 -5.758 -12.857 -4.106 153 HE2 TYR 20 HE2 TYR 20 -5.864 -8.762 -5.289 154 HH TYR 20 HH TYR 20 -5.632 -11.629 -6.577 155 H ARG 21 HN ARG 21 -6.381 -10.918 1.448 156 HA ARG 21 HA ARG 21 -4.765 -10.088 3.769 157 1HB ARG 21 HB2 ARG 21 -6.504 -10.636 5.231 158 2HB ARG 21 HB1 ARG 21 -7.355 -9.914 3.874 159 1HG ARG 21 HG2 ARG 21 -7.879 -12.128 3.027 160 2HG ARG 21 HG1 ARG 21 -7.029 -12.862 4.370 161 1HD ARG 21 HD2 ARG 21 -9.151 -12.957 5.174 162 2HD ARG 21 HD1 ARG 21 -8.697 -11.363 5.769 163 HE ARG 21 HE ARG 21 -9.807 -10.572 3.593 164 1HH1 ARG 21 HH1 ARG 21 -10.854 -13.365 5.423 165 2HH1 ARG 21 HH1 ARG 21 -12.503 -13.226 4.920 166 1HH2 ARG 21 HH2 ARG 21 -11.986 -10.394 2.949 167 2HH2 ARG 21 HH2 ARG 21 -13.145 -11.546 3.525 168 H ILE 22 HN ILE 22 -3.574 -11.619 4.827 169 HA ILE 22 HA ILE 22 -3.556 -14.305 3.612 170 HB ILE 22 HB ILE 22 -1.247 -13.184 5.170 171 1HG1 ILE 22 HG1 ILE 22 -1.632 -11.513 3.471 172 2HG1 ILE 22 HG1 ILE 22 -0.255 -12.492 2.976 173 1HG2 ILE 22 HG2 ILE 22 -0.677 -15.330 4.805 174 2HG2 ILE 22 HG2 ILE 22 -0.218 -14.729 3.212 175 3HG2 ILE 22 HG2 ILE 22 -1.784 -15.505 3.443 176 1HD1 ILE 22 HD1 ILE 22 -2.898 -13.345 1.982 177 2HD1 ILE 22 HD1 ILE 22 -1.327 -13.330 1.179 178 3HD1 ILE 22 HD1 ILE 22 -2.252 -11.835 1.338 179 HA PRO 23 HA PRO 23 -5.460 -14.856 7.827 180 1HB PRO 23 HB2 PRO 23 -5.950 -17.545 6.995 181 2HB PRO 23 HB1 PRO 23 -7.121 -16.243 7.197 182 1HG PRO 23 HG2 PRO 23 -5.813 -17.237 4.741 183 2HG PRO 23 HG1 PRO 23 -7.368 -16.411 4.936 184 1HD PRO 23 HD2 PRO 23 -5.233 -15.183 3.860 185 2HD PRO 23 HD1 PRO 23 -6.402 -14.316 4.872 186 HA PRO 24 HA PRO 24 -1.807 -16.739 9.522 187 1HB PRO 24 HB2 PRO 24 -2.784 -17.318 11.999 188 2HB PRO 24 HB1 PRO 24 -2.293 -15.694 11.504 189 1HG PRO 24 HG2 PRO 24 -5.032 -16.893 11.627 190 2HG PRO 24 HG1 PRO 24 -4.494 -15.277 12.122 191 1HD PRO 24 HD2 PRO 24 -5.764 -15.716 9.781 192 2HD PRO 24 HD1 PRO 24 -4.511 -14.470 9.959 193 H ARG 25 HN ARG 25 -1.553 -18.644 8.397 194 HA ARG 25 HA ARG 25 -2.549 -21.021 9.735 195 1HB ARG 25 HB2 ARG 25 -3.009 -21.936 7.289 196 2HB ARG 25 HB1 ARG 25 -4.253 -21.117 8.220 197 1HG ARG 25 HG2 ARG 25 -4.266 -19.300 6.867 198 2HG ARG 25 HG1 ARG 25 -2.549 -19.428 6.486 199 1HD ARG 25 HD2 ARG 25 -3.454 -21.685 5.332 200 2HD ARG 25 HD1 ARG 25 -4.887 -20.672 5.179 201 HE ARG 25 HE ARG 25 -3.753 -19.313 3.690 202 1HH1 ARG 25 HH1 ARG 25 -1.562 -21.660 5.065 203 2HH1 ARG 25 HH1 ARG 25 -0.323 -21.371 3.892 204 1HH2 ARG 25 HH2 ARG 25 -2.128 -18.943 2.146 205 2HH2 ARG 25 HH2 ARG 25 -0.644 -19.831 2.235 206 H ALA 26 HN ALA 26 -1.059 -20.496 6.538 207 HA ALA 26 HA ALA 26 1.422 -21.679 7.551 208 1HB ALA 26 HB1 ALA 26 1.093 -23.591 6.471 209 2HB ALA 26 HB2 ALA 26 1.091 -22.702 4.949 210 3HB ALA 26 HB3 ALA 26 -0.424 -22.994 5.802 211 H SER 27 HN SER 27 2.517 -19.761 7.392 212 HA SER 27 HA SER 27 3.250 -18.951 4.701 213 1HB SER 27 HB2 SER 27 1.527 -17.355 6.460 214 2HB SER 27 HB1 SER 27 2.934 -16.475 5.861 215 HG SER 27 HG SER 27 0.819 -16.659 4.560 216 H ASN 28 HN ASN 28 5.393 -19.089 4.753 217 HA ASN 28 HA ASN 28 6.881 -18.856 7.182 218 1HB ASN 28 HB2 ASN 28 8.867 -18.955 5.470 219 2HB ASN 28 HB1 ASN 28 7.873 -20.379 5.755 220 1HD2 ASN 28 HD2 ASN 28 7.461 -21.426 3.957 221 2HD2 ASN 28 HD2 ASN 28 7.158 -20.724 2.408 222 H ARG 29 HN ARG 29 8.002 -17.211 4.273 223 HA ARG 29 HA ARG 29 7.490 -14.572 5.189 224 1HB ARG 29 HB2 ARG 29 9.373 -15.440 6.717 225 2HB ARG 29 HB1 ARG 29 10.400 -15.339 5.293 226 1HG ARG 29 HG2 ARG 29 10.799 -13.238 5.890 227 2HG ARG 29 HG1 ARG 29 9.154 -12.878 5.363 228 1HD ARG 29 HD2 ARG 29 10.025 -13.628 8.147 229 2HD ARG 29 HD1 ARG 29 9.527 -12.029 7.605 230 HE ARG 29 HE ARG 29 7.302 -13.090 7.157 231 1HH1 ARG 29 HH1 ARG 29 9.467 -14.403 9.570 232 2HH1 ARG 29 HH1 ARG 29 8.195 -15.130 10.487 233 1HH2 ARG 29 HH2 ARG 29 5.636 -14.045 8.375 234 2HH2 ARG 29 HH2 ARG 29 6.024 -14.928 9.813 235 H GLY 30 HN GLY 30 9.415 -16.728 3.179 236 1HA GLY 30 HA2 GLY 30 9.299 -14.702 1.031 237 2HA GLY 30 HA1 GLY 30 10.669 -15.782 1.250 238 H TYR 31 HN TYR 31 8.676 -15.343 -0.993 239 HA TYR 31 HA TYR 31 8.463 -18.080 -1.764 240 1HB TYR 31 HB2 TYR 31 6.522 -17.709 -0.134 241 2HB TYR 31 HB1 TYR 31 5.812 -16.693 -1.383 242 HD1 TYR 31 HD1 TYR 31 7.569 -19.992 -1.461 243 HD2 TYR 31 HD2 TYR 31 4.064 -17.785 -2.387 244 HE1 TYR 31 HE1 TYR 31 6.612 -21.984 -2.537 245 HE2 TYR 31 HE2 TYR 31 3.098 -19.767 -3.462 246 HH TYR 31 HH TYR 31 4.938 -22.741 -3.881 247 H ARG 32 HN ARG 32 6.482 -17.879 -3.735 248 HA ARG 32 HA ARG 32 7.068 -15.506 -5.297 249 1HB ARG 32 HB2 ARG 32 7.770 -16.932 -7.256 250 2HB ARG 32 HB1 ARG 32 8.928 -16.837 -5.937 251 1HG ARG 32 HG2 ARG 32 7.231 -19.064 -5.456 252 2HG ARG 32 HG1 ARG 32 7.781 -19.139 -7.131 253 1HD ARG 32 HD2 ARG 32 10.035 -18.420 -5.643 254 2HD ARG 32 HD1 ARG 32 9.232 -19.667 -4.693 255 HE ARG 32 HE ARG 32 10.479 -19.975 -7.293 256 1HH1 ARG 32 HH1 ARG 32 8.383 -21.365 -4.870 257 2HH1 ARG 32 HH1 ARG 32 8.599 -22.986 -5.435 258 1HH2 ARG 32 HH2 ARG 32 10.760 -22.106 -8.038 259 2HH2 ARG 32 HH2 ARG 32 9.947 -23.408 -7.235 260 H ALA 33 HN ALA 33 5.503 -14.985 -6.738 261 HA ALA 33 HA ALA 33 2.969 -16.210 -6.510 262 1HB ALA 33 HB1 ALA 33 3.502 -13.787 -7.088 263 2HB ALA 33 HB2 ALA 33 2.163 -14.556 -7.941 264 3HB ALA 33 HB3 ALA 33 3.722 -14.362 -8.740 265 H SER 34 HN SER 34 5.563 -17.452 -8.056 266 HA SER 34 HA SER 34 4.558 -18.214 -10.578 267 1HB SER 34 HB2 SER 34 6.898 -18.756 -8.985 268 2HB SER 34 HB1 SER 34 6.287 -20.261 -9.675 269 HG SER 34 HG SER 34 6.192 -18.952 -11.712 270 H ASP 35 HN ASP 35 4.212 -19.510 -7.356 271 HA ASP 35 HA ASP 35 2.176 -21.346 -8.364 272 1HB ASP 35 HB2 ASP 35 4.521 -22.434 -7.938 273 2HB ASP 35 HB1 ASP 35 4.056 -22.324 -6.243 274 H TRP 36 HN TRP 36 2.634 -18.791 -6.490 275 HA TRP 36 HA TRP 36 1.505 -19.678 -4.008 276 1HB TRP 36 HB2 TRP 36 2.759 -17.770 -3.697 277 2HB TRP 36 HB1 TRP 36 2.233 -17.039 -5.200 278 HD1 TRP 36 HD1 TRP 36 0.809 -17.780 -1.673 279 HE1 TRP 36 HE1 TRP 36 -0.842 -15.901 -1.069 280 HE3 TRP 36 HE3 TRP 36 0.918 -15.152 -6.062 281 HZ2 TRP 36 HZ2 TRP 36 -1.946 -13.609 -2.284 282 HZ3 TRP 36 HZ3 TRP 36 -0.467 -13.128 -6.255 283 HH2 TRP 36 HH2 TRP 36 -1.868 -12.373 -4.404 284 H LYS 37 HN LYS 37 0.189 -17.537 -6.551 285 HA LYS 37 HA LYS 37 -1.958 -17.106 -7.171 286 1HB LYS 37 HB2 LYS 37 -2.071 -20.025 -6.465 287 2HB LYS 37 HB1 LYS 37 -3.506 -19.172 -7.012 288 1HG LYS 37 HG2 LYS 37 -1.854 -18.444 -8.960 289 2HG LYS 37 HG1 LYS 37 -1.082 -19.965 -8.506 290 1HD LYS 37 HD2 LYS 37 -2.680 -20.395 -10.254 291 2HD LYS 37 HD1 LYS 37 -3.279 -21.094 -8.748 292 1HE LYS 37 HE2 LYS 37 -4.848 -19.347 -8.454 293 2HE LYS 37 HE1 LYS 37 -4.095 -18.363 -9.709 294 1HZ LYS 37 HZ1 LYS 37 -5.898 -20.651 -9.970 295 2HZ LYS 37 HZ2 LYS 37 -4.712 -20.451 -11.158 296 3HZ LYS 37 HZ3 LYS 37 -5.832 -19.219 -10.869 297 H LEU 38 HN LEU 38 -4.312 -17.191 -6.377 298 HA LEU 38 HA LEU 38 -4.878 -17.597 -3.654 299 1HB LEU 38 HB2 LEU 38 -3.298 -15.652 -3.509 300 2HB LEU 38 HB1 LEU 38 -4.463 -14.704 -4.414 301 HG LEU 38 HG LEU 38 -4.541 -14.291 -1.975 302 1HD1 LEU 38 HD1 LEU 38 -7.139 -15.557 -2.435 303 2HD1 LEU 38 HD1 LEU 38 -6.603 -14.490 -3.729 304 3HD1 LEU 38 HD1 LEU 38 -6.739 -13.878 -2.084 305 1HD2 LEU 38 HD2 LEU 38 -5.832 -16.949 -1.586 306 2HD2 LEU 38 HD2 LEU 38 -5.028 -15.902 -0.415 307 3HD2 LEU 38 HD2 LEU 38 -4.071 -16.841 -1.562 308 H ASP 39 HN ASP 39 -7.020 -17.657 -3.392 309 HA ASP 39 HA ASP 39 -8.803 -16.081 -5.036 310 1HB ASP 39 HB2 ASP 39 -8.202 -18.158 -6.365 311 2HB ASP 39 HB1 ASP 39 -9.032 -19.090 -5.121 312 H GLN 40 HN GLN 40 -8.967 -15.422 -2.677 313 HA GLN 40 HA GLN 40 -11.332 -16.632 -1.570 314 1HB GLN 40 HB2 GLN 40 -8.671 -17.047 -0.353 315 2HB GLN 40 HB1 GLN 40 -9.934 -16.536 0.757 316 1HG GLN 40 HG2 GLN 40 -10.483 -18.781 -1.116 317 2HG GLN 40 HG1 GLN 40 -9.477 -19.069 0.303 318 1HE2 GLN 40 HE2 GLN 40 -11.693 -20.475 0.200 319 2HE2 GLN 40 HE2 GLN 40 -12.894 -19.873 1.286 320 HA PRO 41 HA PRO 41 -10.558 -12.626 0.932 321 1HB PRO 41 HB2 PRO 41 -8.124 -11.455 0.887 322 2HB PRO 41 HB1 PRO 41 -8.534 -12.773 1.986 323 1HG PRO 41 HG2 PRO 41 -7.132 -12.929 -0.660 324 2HG PRO 41 HG1 PRO 41 -6.628 -13.612 0.900 325 1HD PRO 41 HD2 PRO 41 -7.881 -15.136 -0.891 326 2HD PRO 41 HD1 PRO 41 -8.249 -15.282 0.836 327 H ASP 42 HN ASP 42 -8.083 -10.979 -0.733 328 HA ASP 42 HA ASP 42 -8.163 -9.274 -2.228 329 1HB ASP 42 HB2 ASP 42 -8.340 -11.340 -3.690 330 2HB ASP 42 HB1 ASP 42 -10.070 -11.023 -3.777 331 H TRP 43 HN TRP 43 -9.576 -8.398 -0.293 332 HA TRP 43 HA TRP 43 -12.345 -7.978 -0.918 333 1HB TRP 43 HB2 TRP 43 -12.133 -6.301 1.076 334 2HB TRP 43 HB1 TRP 43 -12.077 -8.031 1.369 335 HD1 TRP 43 HD1 TRP 43 -9.446 -9.040 1.625 336 HE1 TRP 43 HE1 TRP 43 -7.484 -7.962 2.891 337 HE3 TRP 43 HE3 TRP 43 -11.131 -4.209 1.787 338 HZ2 TRP 43 HZ2 TRP 43 -6.749 -5.421 3.834 339 HZ3 TRP 43 HZ3 TRP 43 -9.730 -2.517 2.898 340 HH2 TRP 43 HH2 TRP 43 -7.585 -3.121 3.899 341 H THR 44 HN THR 44 -13.341 -5.839 -1.077 342 HA THR 44 HA THR 44 -11.668 -4.034 -2.695 343 HB THR 44 HB THR 44 -14.574 -3.678 -2.886 344 HG1 THR 44 HG1 THR 44 -15.011 -5.716 -3.062 345 1HG2 THR 44 HG2 THR 44 -13.605 -4.347 -5.373 346 2HG2 THR 44 HG2 THR 44 -12.248 -3.524 -4.603 347 3HG2 THR 44 HG2 THR 44 -13.812 -2.718 -4.731 348 H GLY 45 HN GLY 45 -11.300 -2.002 -1.983 349 1HA GLY 45 HA2 GLY 45 -13.184 -0.453 -0.530 350 2HA GLY 45 HA1 GLY 45 -11.993 -1.132 0.566 351 H ARG 46 HN ARG 46 -11.907 1.426 0.707 352 HA ARG 46 HA ARG 46 -10.023 2.487 -1.281 353 1HB ARG 46 HB2 ARG 46 -11.325 4.018 0.972 354 2HB ARG 46 HB1 ARG 46 -10.541 4.675 -0.457 355 1HG ARG 46 HG2 ARG 46 -12.327 3.781 -1.852 356 2HG ARG 46 HG1 ARG 46 -13.085 3.089 -0.422 357 1HD ARG 46 HD2 ARG 46 -14.203 5.142 -1.027 358 2HD ARG 46 HD1 ARG 46 -13.369 5.338 0.510 359 HE ARG 46 HE ARG 46 -12.603 6.531 -2.048 360 1HH1 ARG 46 HH1 ARG 46 -12.109 6.205 1.388 361 2HH1 ARG 46 HH1 ARG 46 -11.121 7.619 1.510 362 1HH2 ARG 46 HH2 ARG 46 -11.285 8.386 -1.900 363 2HH2 ARG 46 HH2 ARG 46 -10.649 8.858 -0.359 364 H LEU 47 HN LEU 47 -7.927 2.806 -0.830 365 HA LEU 47 HA LEU 47 -7.092 2.565 1.988 366 1HB LEU 47 HB2 LEU 47 -5.817 1.453 -0.498 367 2HB LEU 47 HB1 LEU 47 -4.901 1.691 0.979 368 HG LEU 47 HG LEU 47 -7.233 0.266 1.704 369 1HD1 LEU 47 HD1 LEU 47 -6.861 -0.190 -0.956 370 2HD1 LEU 47 HD1 LEU 47 -7.629 -1.308 0.170 371 3HD1 LEU 47 HD1 LEU 47 -5.920 -1.492 -0.228 372 1HD2 LEU 47 HD2 LEU 47 -4.340 -0.536 1.419 373 2HD2 LEU 47 HD2 LEU 47 -5.571 -1.521 2.211 374 3HD2 LEU 47 HD2 LEU 47 -5.150 0.060 2.868 375 H ARG 48 HN ARG 48 -5.754 4.060 2.777 376 HA ARG 48 HA ARG 48 -4.258 5.802 1.018 377 1HB ARG 48 HB2 ARG 48 -5.260 7.848 2.117 378 2HB ARG 48 HB1 ARG 48 -6.286 7.019 0.957 379 1HG ARG 48 HG2 ARG 48 -6.968 5.828 3.332 380 2HG ARG 48 HG1 ARG 48 -6.676 7.506 3.796 381 1HD ARG 48 HD2 ARG 48 -8.259 7.067 1.339 382 2HD ARG 48 HD1 ARG 48 -9.030 6.622 2.861 383 HE ARG 48 HE ARG 48 -8.481 9.272 1.906 384 1HH1 ARG 48 HH1 ARG 48 -8.960 7.326 4.765 385 2HH1 ARG 48 HH1 ARG 48 -9.498 8.658 5.732 386 1HH2 ARG 48 HH2 ARG 48 -9.195 11.023 3.178 387 2HH2 ARG 48 HH2 ARG 48 -9.633 10.755 4.832 388 H ILE 49 HN ILE 49 -2.656 7.014 2.086 389 HA ILE 49 HA ILE 49 -2.321 6.405 4.940 390 HB ILE 49 HB ILE 49 0.074 6.084 4.644 391 1HG1 ILE 49 HG1 ILE 49 -0.250 5.922 1.680 392 2HG1 ILE 49 HG1 ILE 49 -0.027 7.504 2.413 393 1HG2 ILE 49 HG2 ILE 49 -0.814 4.008 4.616 394 2HG2 ILE 49 HG2 ILE 49 -0.241 4.020 2.952 395 3HG2 ILE 49 HG2 ILE 49 -1.930 4.382 3.309 396 1HD1 ILE 49 HD1 ILE 49 2.107 6.787 1.767 397 2HD1 ILE 49 HD1 ILE 49 1.847 5.166 2.415 398 3HD1 ILE 49 HD1 ILE 49 2.038 6.534 3.513 399 H THR 50 HN THR 50 -1.122 7.940 6.127 400 HA THR 50 HA THR 50 -0.339 10.429 4.898 401 HB THR 50 HB THR 50 -2.223 11.081 6.997 402 HG1 THR 50 HG1 THR 50 -3.454 9.966 4.723 403 1HG2 THR 50 HG2 THR 50 -3.229 12.518 5.308 404 2HG2 THR 50 HG2 THR 50 -2.208 11.784 4.071 405 3HG2 THR 50 HG2 THR 50 -1.480 12.718 5.378 406 H SER 51 HN SER 51 0.187 12.067 6.752 407 HA SER 51 HA SER 51 0.992 10.791 9.227 408 1HB SER 51 HB2 SER 51 3.312 12.203 8.417 409 2HB SER 51 HB1 SER 51 3.139 10.469 8.678 410 HG SER 51 HG SER 51 3.421 11.826 6.365 411 H LYS 52 HN LYS 52 0.687 12.151 10.866 412 HA LYS 52 HA LYS 52 -0.380 14.694 10.588 413 1HB LYS 52 HB2 LYS 52 -0.201 13.068 12.650 414 2HB LYS 52 HB1 LYS 52 1.228 14.024 13.018 415 1HG LYS 52 HG2 LYS 52 -0.812 15.861 12.435 416 2HG LYS 52 HG1 LYS 52 -1.531 14.632 13.475 417 1HD LYS 52 HD2 LYS 52 -0.442 15.398 15.264 418 2HD LYS 52 HD1 LYS 52 1.100 15.393 14.407 419 1HE LYS 52 HE2 LYS 52 1.014 17.595 14.012 420 2HE LYS 52 HE1 LYS 52 -0.691 17.539 13.564 421 1HZ LYS 52 HZ1 LYS 52 -0.867 17.161 16.185 422 2HZ LYS 52 HZ2 LYS 52 -0.906 18.693 15.468 423 3HZ LYS 52 HZ3 LYS 52 0.533 18.109 16.136 424 H GLY 53 HN GLY 53 2.932 13.900 11.652 425 1HA GLY 53 HA2 GLY 53 4.117 15.947 10.079 426 2HA GLY 53 HA1 GLY 53 3.937 16.482 11.743 427 H LYS 54 HN LYS 54 4.686 14.674 13.368 428 HA LYS 54 HA LYS 54 7.392 13.955 12.518 429 1HB LYS 54 HB2 LYS 54 7.809 13.613 14.975 430 2HB LYS 54 HB1 LYS 54 7.411 15.258 14.506 431 1HG LYS 54 HG2 LYS 54 6.098 15.087 16.339 432 2HG LYS 54 HG1 LYS 54 4.966 14.444 15.151 433 1HD LYS 54 HD2 LYS 54 6.449 12.236 15.924 434 2HD LYS 54 HD1 LYS 54 6.225 13.143 17.422 435 1HE LYS 54 HE2 LYS 54 3.735 13.275 16.319 436 2HE LYS 54 HE1 LYS 54 4.280 11.696 15.781 437 1HZ LYS 54 HZ1 LYS 54 3.249 12.340 18.249 438 2HZ LYS 54 HZ2 LYS 54 4.895 12.062 18.517 439 3HZ LYS 54 HZ3 LYS 54 3.943 10.868 17.789 440 H ILE 55 HN ILE 55 4.411 12.521 12.796 441 HA ILE 55 HA ILE 55 5.611 9.836 13.048 442 HB ILE 55 HB ILE 55 4.199 10.557 15.035 443 1HG1 ILE 55 HG1 ILE 55 3.005 8.160 13.687 444 2HG1 ILE 55 HG1 ILE 55 4.683 8.151 14.229 445 1HG2 ILE 55 HG2 ILE 55 1.725 9.889 13.627 446 2HG2 ILE 55 HG2 ILE 55 2.445 11.426 13.149 447 3HG2 ILE 55 HG2 ILE 55 2.042 11.130 14.840 448 1HD1 ILE 55 HD1 ILE 55 3.200 7.153 15.875 449 2HD1 ILE 55 HD1 ILE 55 2.276 8.653 15.960 450 3HD1 ILE 55 HD1 ILE 55 3.955 8.620 16.499 451 H ALA 56 HN ALA 56 4.060 8.141 12.123 452 HA ALA 56 HA ALA 56 2.482 9.182 9.905 453 1HB ALA 56 HB1 ALA 56 3.618 6.976 8.750 454 2HB ALA 56 HB2 ALA 56 4.971 7.677 9.634 455 3HB ALA 56 HB3 ALA 56 4.094 8.646 8.450 456 H TYR 57 HN TYR 57 0.816 7.882 9.258 457 HA TYR 57 HA TYR 57 0.441 5.281 10.441 458 1HB TYR 57 HB2 TYR 57 -1.586 5.767 11.628 459 2HB TYR 57 HB1 TYR 57 -0.347 6.876 12.202 460 HD1 TYR 57 HD1 TYR 57 -3.381 7.157 12.463 461 HD2 TYR 57 HD2 TYR 57 -0.618 8.682 9.613 462 HE1 TYR 57 HE1 TYR 57 -4.882 9.055 12.021 463 HE2 TYR 57 HE2 TYR 57 -2.106 10.575 9.166 464 HH TYR 57 HH TYR 57 -3.896 11.747 10.024 465 H ILE 58 HN ILE 58 -1.236 4.088 9.489 466 HA ILE 58 HA ILE 58 -2.076 5.194 6.899 467 HB ILE 58 HB ILE 58 -2.294 2.930 6.109 468 1HG1 ILE 58 HG1 ILE 58 -1.304 1.157 7.845 469 2HG1 ILE 58 HG1 ILE 58 -2.004 2.286 9.001 470 1HG2 ILE 58 HG2 ILE 58 -0.089 2.632 5.768 471 2HG2 ILE 58 HG2 ILE 58 0.291 2.654 7.490 472 3HG2 ILE 58 HG2 ILE 58 0.044 4.168 6.620 473 1HD1 ILE 58 HD1 ILE 58 -4.078 1.623 8.546 474 2HD1 ILE 58 HD1 ILE 58 -3.318 0.231 7.775 475 3HD1 ILE 58 HD1 ILE 58 -3.795 1.626 6.805 476 H LYS 59 HN LYS 59 -4.187 5.178 6.272 477 HA LYS 59 HA LYS 59 -6.140 4.274 8.279 478 1HB LYS 59 HB2 LYS 59 -6.620 6.624 6.461 479 2HB LYS 59 HB1 LYS 59 -7.479 6.181 7.930 480 1HG LYS 59 HG2 LYS 59 -6.187 7.550 9.084 481 2HG LYS 59 HG1 LYS 59 -4.779 6.582 8.642 482 1HD LYS 59 HD2 LYS 59 -4.065 8.480 7.669 483 2HD LYS 59 HD1 LYS 59 -5.165 8.018 6.368 484 1HE LYS 59 HE2 LYS 59 -6.665 9.630 6.884 485 2HE LYS 59 HE1 LYS 59 -6.364 9.503 8.616 486 1HZ LYS 59 HZ1 LYS 59 -4.681 10.912 6.620 487 2HZ LYS 59 HZ2 LYS 59 -4.246 10.686 8.239 488 3HZ LYS 59 HZ3 LYS 59 -5.604 11.617 7.850 489 H LEU 60 HN LEU 60 -7.989 3.303 7.534 490 HA LEU 60 HA LEU 60 -8.168 2.858 4.634 491 1HB LEU 60 HB2 LEU 60 -7.967 0.897 6.837 492 2HB LEU 60 HB1 LEU 60 -9.139 0.534 5.584 493 HG LEU 60 HG LEU 60 -7.003 1.132 4.050 494 1HD1 LEU 60 HD1 LEU 60 -5.157 1.287 5.283 495 2HD1 LEU 60 HD1 LEU 60 -5.302 -0.451 5.540 496 3HD1 LEU 60 HD1 LEU 60 -5.969 0.673 6.723 497 1HD2 LEU 60 HD2 LEU 60 -8.505 -1.102 4.677 498 2HD2 LEU 60 HD2 LEU 60 -6.843 -1.616 4.957 499 3HD2 LEU 60 HD2 LEU 60 -7.312 -0.968 3.386 500 H GLU 61 HN GLU 61 -10.297 2.078 3.941 501 HA GLU 61 HA GLU 61 -12.563 2.321 5.639 502 1HB GLU 61 HB2 GLU 61 -11.611 4.758 4.856 503 2HB GLU 61 HB1 GLU 61 -12.765 4.412 3.575 504 1HG GLU 61 HG2 GLU 61 -14.509 4.050 5.261 505 2HG GLU 61 HG1 GLU 61 -13.347 4.438 6.528 506 H ASP 62 HN ASP 62 -14.639 2.372 4.233 507 HA ASP 62 HA ASP 62 -14.444 0.220 2.382 508 1HB ASP 62 HB2 ASP 62 -16.381 0.581 3.874 509 2HB ASP 62 HB1 ASP 62 -16.793 2.037 2.975 510 H LYS 63 HN LYS 63 -15.000 0.204 0.152 511 HA LYS 63 HA LYS 63 -13.864 2.251 -1.382 512 1HB LYS 63 HB2 LYS 63 -14.214 -0.173 -2.045 513 2HB LYS 63 HB1 LYS 63 -15.856 0.297 -2.469 514 1HG LYS 63 HG2 LYS 63 -13.991 2.147 -3.607 515 2HG LYS 63 HG1 LYS 63 -13.544 0.498 -4.046 516 1HD LYS 63 HD2 LYS 63 -16.195 0.382 -4.465 517 2HD LYS 63 HD1 LYS 63 -15.917 2.094 -4.791 518 1HE LYS 63 HE2 LYS 63 -14.046 0.144 -6.010 519 2HE LYS 63 HE1 LYS 63 -15.679 0.221 -6.669 520 1HZ LYS 63 HZ1 LYS 63 -14.093 1.705 -7.802 521 2HZ LYS 63 HZ2 LYS 63 -13.883 2.566 -6.361 522 3HZ LYS 63 HZ3 LYS 63 -15.395 2.544 -7.119 523 H VAL 64 HN VAL 64 -17.015 1.996 -0.069 524 HA VAL 64 HA VAL 64 -18.211 3.788 -2.000 525 HB VAL 64 HB VAL 64 -19.388 2.822 0.603 526 1HG1 VAL 64 HG1 VAL 64 -20.891 4.405 -0.005 527 2HG1 VAL 64 HG1 VAL 64 -21.461 3.136 -1.088 528 3HG1 VAL 64 HG1 VAL 64 -20.381 4.391 -1.694 529 1HG2 VAL 64 HG2 VAL 64 -19.216 0.791 -0.365 530 2HG2 VAL 64 HG2 VAL 64 -18.964 1.467 -1.974 531 3HG2 VAL 64 HG2 VAL 64 -20.595 1.338 -1.317 532 H SER 65 HN SER 65 -16.465 4.047 0.913 533 HA SER 65 HA SER 65 -15.585 5.971 1.835 534 1HB SER 65 HB2 SER 65 -17.679 7.286 0.143 535 2HB SER 65 HB1 SER 65 -16.991 8.172 1.495 536 HG SER 65 HG SER 65 -15.943 7.762 -0.909 537 H GLY 66 HN GLY 66 -16.067 4.941 3.751 538 1HA GLY 66 HA2 GLY 66 -16.925 5.659 5.927 539 2HA GLY 66 HA1 GLY 66 -18.459 5.980 5.134 540 H GLU 67 HN GLU 67 -16.864 3.865 7.070 541 HA GLU 67 HA GLU 67 -18.904 2.003 7.250 542 1HB GLU 67 HB2 GLU 67 -17.935 1.470 4.906 543 2HB GLU 67 HB1 GLU 67 -16.590 0.763 5.785 544 1HG GLU 67 HG2 GLU 67 -17.747 -1.118 5.890 545 2HG GLU 67 HG1 GLU 67 -18.861 -0.301 6.985 546 H LEU 68 HN LEU 68 -16.551 -0.178 7.425 547 HA LEU 68 HA LEU 68 -16.298 -0.138 10.185 548 1HB LEU 68 HB2 LEU 68 -14.370 -1.372 8.218 549 2HB LEU 68 HB1 LEU 68 -14.545 -1.805 9.907 550 HG LEU 68 HG LEU 68 -16.524 -2.291 7.685 551 1HD1 LEU 68 HD1 LEU 68 -16.185 -4.669 8.686 552 2HD1 LEU 68 HD1 LEU 68 -14.688 -3.985 9.319 553 3HD1 LEU 68 HD1 LEU 68 -14.984 -4.001 7.581 554 1HD2 LEU 68 HD2 LEU 68 -17.385 -3.573 10.020 555 2HD2 LEU 68 HD2 LEU 68 -18.156 -2.222 9.189 556 3HD2 LEU 68 HD2 LEU 68 -17.012 -1.915 10.496 557 H PHE 69 HN PHE 69 -13.707 0.639 7.840 558 HA PHE 69 HA PHE 69 -12.057 2.221 7.916 559 1HB PHE 69 HB2 PHE 69 -13.880 3.606 9.104 560 2HB PHE 69 HB1 PHE 69 -13.056 3.164 10.595 561 HD1 PHE 69 HD1 PHE 69 -10.434 3.594 10.539 562 HD2 PHE 69 HD2 PHE 69 -13.300 5.574 8.097 563 HE1 PHE 69 HE1 PHE 69 -8.874 5.470 10.226 564 HE2 PHE 69 HE2 PHE 69 -11.739 7.448 7.778 565 HZ PHE 69 HZ PHE 69 -9.522 7.397 8.844 566 H ALA 70 HN ALA 70 -10.001 1.746 8.369 567 HA ALA 70 HA ALA 70 -9.344 0.623 11.002 568 1HB ALA 70 HB1 ALA 70 -9.202 -0.756 8.441 569 2HB ALA 70 HB2 ALA 70 -9.140 -1.402 10.081 570 3HB ALA 70 HB3 ALA 70 -7.675 -0.777 9.324 571 H GLN 71 HN GLN 71 -7.251 1.021 11.733 572 HA GLN 71 HA GLN 71 -5.557 2.712 10.034 573 1HB GLN 71 HB2 GLN 71 -6.434 3.288 12.856 574 2HB GLN 71 HB1 GLN 71 -5.005 4.026 12.149 575 1HG GLN 71 HG2 GLN 71 -6.206 5.371 10.774 576 2HG GLN 71 HG1 GLN 71 -7.544 4.230 10.646 577 1HE2 GLN 71 HE2 GLN 71 -9.200 4.320 12.098 578 2HE2 GLN 71 HE2 GLN 71 -9.364 5.564 13.284 579 H ALA 72 HN ALA 72 -3.342 2.919 10.873 580 HA ALA 72 HA ALA 72 -2.456 0.899 12.748 581 1HB ALA 72 HB1 ALA 72 -0.712 0.475 10.607 582 2HB ALA 72 HB2 ALA 72 -2.333 0.445 9.908 583 3HB ALA 72 HB3 ALA 72 -1.926 -0.640 11.237 584 HA PRO 73 HA PRO 73 -0.099 4.888 12.861 585 1HB PRO 73 HB2 PRO 73 0.061 4.934 15.586 586 2HB PRO 73 HB1 PRO 73 -1.290 5.620 14.677 587 1HG PRO 73 HG2 PRO 73 -1.085 2.971 16.053 588 2HG PRO 73 HG1 PRO 73 -2.436 4.120 16.033 589 1HD PRO 73 HD2 PRO 73 -2.410 1.920 14.478 590 2HD PRO 73 HD1 PRO 73 -3.144 3.445 13.938 591 H VAL 74 HN VAL 74 2.086 5.083 13.039 592 HA VAL 74 HA VAL 74 3.566 2.968 14.408 593 HB VAL 74 HB VAL 74 5.046 2.605 12.522 594 1HG1 VAL 74 HG1 VAL 74 3.399 1.556 10.946 595 2HG1 VAL 74 HG1 VAL 74 2.116 2.310 11.892 596 3HG1 VAL 74 HG1 VAL 74 3.180 1.124 12.642 597 1HG2 VAL 74 HG2 VAL 74 3.446 3.910 10.480 598 2HG2 VAL 74 HG2 VAL 74 5.190 3.945 10.740 599 3HG2 VAL 74 HG2 VAL 74 4.144 5.060 11.619 600 H GLU 75 HN GLU 75 5.898 3.486 14.622 601 HA GLU 75 HA GLU 75 6.229 6.101 15.635 602 1HB GLU 75 HB2 GLU 75 7.468 3.793 16.128 603 2HB GLU 75 HB1 GLU 75 8.623 4.463 14.984 604 1HG GLU 75 HG2 GLU 75 9.422 5.124 17.064 605 2HG GLU 75 HG1 GLU 75 8.595 6.553 16.445 606 H GLN 76 HN GLN 76 6.336 5.019 12.448 607 HA GLN 76 HA GLN 76 7.075 5.916 10.498 608 1HB GLN 76 HB2 GLN 76 5.753 7.817 11.225 609 2HB GLN 76 HB1 GLN 76 7.092 8.429 12.179 610 1HG GLN 76 HG2 GLN 76 8.125 8.147 9.613 611 2HG GLN 76 HG1 GLN 76 6.504 8.792 9.375 612 1HE2 GLN 76 HE2 GLN 76 8.750 9.344 12.049 613 2HE2 GLN 76 HE2 GLN 76 8.892 11.047 11.808 614 H TYR 77 HN TYR 77 9.031 4.661 10.707 615 HA TYR 77 HA TYR 77 11.352 6.293 10.417 616 1HB TYR 77 HB2 TYR 77 11.015 5.926 12.964 617 2HB TYR 77 HB1 TYR 77 11.584 4.297 12.651 618 HD1 TYR 77 HD1 TYR 77 13.721 4.567 10.776 619 HD2 TYR 77 HD2 TYR 77 12.679 7.128 14.012 620 HE1 TYR 77 HE1 TYR 77 16.050 5.340 10.909 621 HE2 TYR 77 HE2 TYR 77 15.005 7.909 14.152 622 HH TYR 77 HH TYR 77 17.526 6.582 12.035 623 HA PRO 78 HA PRO 78 12.584 1.721 9.510 624 1HB PRO 78 HB2 PRO 78 10.848 -0.248 10.136 625 2HB PRO 78 HB1 PRO 78 12.019 0.385 11.301 626 1HG PRO 78 HG2 PRO 78 9.116 1.077 10.977 627 2HG PRO 78 HG1 PRO 78 10.012 0.710 12.460 628 1HD PRO 78 HD2 PRO 78 9.456 3.221 11.705 629 2HD PRO 78 HD1 PRO 78 10.957 2.797 12.548 630 H GLY 79 HN GLY 79 11.272 3.393 7.792 631 1HA GLY 79 HA2 GLY 79 9.052 2.177 6.466 632 2HA GLY 79 HA1 GLY 79 10.054 3.469 5.820 633 H ILE 80 HN ILE 80 9.283 0.153 5.659 634 HA ILE 80 HA ILE 80 10.638 -0.289 3.290 635 HB ILE 80 HB ILE 80 12.617 -0.083 4.879 636 1HG1 ILE 80 HG1 ILE 80 13.939 -1.562 3.660 637 2HG1 ILE 80 HG1 ILE 80 12.676 -2.776 3.558 638 1HG2 ILE 80 HG2 ILE 80 13.046 -2.508 5.900 639 2HG2 ILE 80 HG2 ILE 80 11.290 -2.454 6.028 640 3HG2 ILE 80 HG2 ILE 80 12.268 -1.206 6.796 641 1HD1 ILE 80 HD1 ILE 80 12.552 -2.049 1.437 642 2HD1 ILE 80 HD1 ILE 80 13.244 -0.475 1.821 643 3HD1 ILE 80 HD1 ILE 80 11.540 -0.788 2.133 644 H ALA 81 HN ALA 81 11.220 -2.988 3.375 645 HA ALA 81 HA ALA 81 10.395 -5.074 3.431 646 1HB ALA 81 HB1 ALA 81 9.903 -5.072 5.695 647 2HB ALA 81 HB2 ALA 81 8.383 -5.539 4.934 648 3HB ALA 81 HB3 ALA 81 8.604 -3.894 5.516 649 H VAL 82 HN VAL 82 9.969 -4.790 1.286 650 HA VAL 82 HA VAL 82 7.143 -4.960 0.598 651 HB VAL 82 HB VAL 82 9.025 -3.158 -0.932 652 1HG1 VAL 82 HG1 VAL 82 7.397 -2.862 -2.472 653 2HG1 VAL 82 HG1 VAL 82 6.096 -3.035 -1.294 654 3HG1 VAL 82 HG1 VAL 82 6.913 -4.467 -1.924 655 1HG2 VAL 82 HG2 VAL 82 8.623 -1.664 0.684 656 2HG2 VAL 82 HG2 VAL 82 7.291 -2.607 1.355 657 3HG2 VAL 82 HG2 VAL 82 7.014 -1.547 -0.027 658 H GLU 83 HN GLU 83 6.794 -6.436 -0.996 659 HA GLU 83 HA GLU 83 9.140 -7.415 -2.462 660 1HB GLU 83 HB2 GLU 83 7.997 -8.837 -0.414 661 2HB GLU 83 HB1 GLU 83 7.165 -9.484 -1.821 662 1HG GLU 83 HG2 GLU 83 8.968 -10.567 -2.552 663 2HG GLU 83 HG1 GLU 83 10.046 -9.223 -2.179 664 H THR 84 HN THR 84 8.730 -8.295 -4.490 665 HA THR 84 HA THR 84 6.022 -7.794 -5.516 666 HB THR 84 HB THR 84 7.479 -7.423 -7.739 667 HG1 THR 84 HG1 THR 84 9.487 -7.523 -6.886 668 1HG2 THR 84 HG2 THR 84 7.398 -5.043 -5.988 669 2HG2 THR 84 HG2 THR 84 5.870 -5.836 -6.373 670 3HG2 THR 84 HG2 THR 84 6.905 -5.240 -7.670 671 H VAL 85 HN VAL 85 6.009 -8.768 -7.854 672 HA VAL 85 HA VAL 85 6.063 -11.580 -7.540 673 HB VAL 85 HB VAL 85 5.636 -11.488 -10.099 674 1HG1 VAL 85 HG1 VAL 85 4.001 -11.634 -8.068 675 2HG1 VAL 85 HG1 VAL 85 3.386 -11.331 -9.693 676 3HG1 VAL 85 HG1 VAL 85 3.575 -9.996 -8.558 677 1HG2 VAL 85 HG2 VAL 85 4.823 -8.664 -9.647 678 2HG2 VAL 85 HG2 VAL 85 5.302 -9.474 -11.132 679 3HG2 VAL 85 HG2 VAL 85 6.529 -8.983 -9.970 680 H THR 86 HN THR 86 7.836 -12.794 -7.574 681 HA THR 86 HA THR 86 10.347 -11.976 -8.521 682 HB THR 86 HB THR 86 9.438 -14.835 -8.165 683 HG1 THR 86 HG1 THR 86 9.719 -12.829 -6.326 684 1HG2 THR 86 HG2 THR 86 11.667 -14.651 -9.102 685 2HG2 THR 86 HG2 THR 86 11.726 -15.242 -7.441 686 3HG2 THR 86 HG2 THR 86 12.139 -13.565 -7.796 687 H ASP 87 HN ASP 87 7.635 -13.027 -10.274 688 HA ASP 87 HA ASP 87 9.175 -13.058 -12.715 689 1HB ASP 87 HB2 ASP 87 8.343 -15.278 -13.433 690 2HB ASP 87 HB1 ASP 87 9.405 -15.377 -12.031 691 H SER 88 HN SER 88 6.939 -11.535 -11.458 692 HA SER 88 HA SER 88 5.125 -10.391 -12.235 693 1HB SER 88 HB2 SER 88 6.357 -11.125 -14.555 694 2HB SER 88 HB1 SER 88 4.758 -11.842 -14.753 695 HG SER 88 HG SER 88 4.958 -9.623 -15.486 696 H SER 89 HN SER 89 2.999 -10.596 -11.837 697 HA SER 89 HA SER 89 1.438 -12.846 -12.485 698 1HB SER 89 HB2 SER 89 1.527 -14.204 -10.680 699 2HB SER 89 HB1 SER 89 3.060 -13.400 -10.348 700 HG SER 89 HG SER 89 1.632 -11.825 -9.172 701 H ARG 90 HN ARG 90 1.278 -10.012 -12.624 702 HA ARG 90 HA ARG 90 -0.102 -8.199 -12.100 703 1HB ARG 90 HB2 ARG 90 -1.503 -10.326 -13.143 704 2HB ARG 90 HB1 ARG 90 -2.446 -9.912 -11.718 705 1HG ARG 90 HG2 ARG 90 -3.421 -8.356 -12.960 706 2HG ARG 90 HG1 ARG 90 -1.898 -7.465 -12.879 707 1HD ARG 90 HD2 ARG 90 -2.394 -7.608 -15.169 708 2HD ARG 90 HD1 ARG 90 -1.170 -8.842 -14.889 709 HE ARG 90 HE ARG 90 -3.535 -10.160 -14.603 710 1HH1 ARG 90 HH1 ARG 90 -2.132 -8.188 -17.117 711 2HH1 ARG 90 HH1 ARG 90 -2.928 -9.038 -18.398 712 1HH2 ARG 90 HH2 ARG 90 -4.578 -11.279 -16.282 713 2HH2 ARG 90 HH2 ARG 90 -4.318 -10.794 -17.925 714 H TYR 91 HN TYR 91 1.094 -9.516 -9.701 715 HA TYR 91 HA TYR 91 -0.773 -8.383 -7.762 716 1HB TYR 91 HB2 TYR 91 -1.359 -10.370 -6.931 717 2HB TYR 91 HB1 TYR 91 -0.303 -11.190 -8.072 718 HD1 TYR 91 HD1 TYR 91 -0.774 -10.149 -4.635 719 HD2 TYR 91 HD2 TYR 91 2.033 -11.742 -7.402 720 HE1 TYR 91 HE1 TYR 91 0.636 -10.905 -2.767 721 HE2 TYR 91 HE2 TYR 91 3.447 -12.502 -5.546 722 HH TYR 91 HH TYR 91 3.811 -11.831 -3.123 723 H PHE 92 HN PHE 92 0.311 -8.269 -5.533 724 HA PHE 92 HA PHE 92 3.154 -8.230 -5.417 725 1HB PHE 92 HB2 PHE 92 3.248 -5.704 -4.966 726 2HB PHE 92 HB1 PHE 92 3.137 -6.227 -6.642 727 HD1 PHE 92 HD1 PHE 92 1.326 -4.684 -3.849 728 HD2 PHE 92 HD2 PHE 92 1.208 -5.744 -7.968 729 HE1 PHE 92 HE1 PHE 92 -0.644 -3.247 -4.163 730 HE2 PHE 92 HE2 PHE 92 -0.767 -4.314 -8.279 731 HZ PHE 92 HZ PHE 92 -1.697 -3.064 -6.377 732 H VAL 93 HN VAL 93 3.915 -7.260 -3.322 733 HA VAL 93 HA VAL 93 1.814 -7.369 -1.266 734 HB VAL 93 HB VAL 93 3.307 -8.654 0.180 735 1HG1 VAL 93 HG1 VAL 93 2.360 -9.722 -2.408 736 2HG1 VAL 93 HG1 VAL 93 1.839 -10.111 -0.769 737 3HG1 VAL 93 HG1 VAL 93 3.352 -10.771 -1.395 738 1HG2 VAL 93 HG2 VAL 93 5.433 -9.248 -0.307 739 2HG2 VAL 93 HG2 VAL 93 5.345 -7.855 -1.385 740 3HG2 VAL 93 HG2 VAL 93 5.079 -9.480 -2.019 741 H ILE 94 HN ILE 94 2.162 -6.115 0.593 742 HA ILE 94 HA ILE 94 4.630 -4.591 0.825 743 HB ILE 94 HB ILE 94 3.424 -2.425 1.003 744 1HG1 ILE 94 HG1 ILE 94 1.142 -3.293 -0.597 745 2HG1 ILE 94 HG1 ILE 94 1.151 -4.001 1.015 746 1HG2 ILE 94 HG2 ILE 94 2.717 -2.883 -1.706 747 2HG2 ILE 94 HG2 ILE 94 4.149 -3.841 -1.340 748 3HG2 ILE 94 HG2 ILE 94 4.160 -2.103 -1.060 749 1HD1 ILE 94 HD1 ILE 94 -0.108 -2.010 1.138 750 2HD1 ILE 94 HD1 ILE 94 1.126 -1.092 0.275 751 3HD1 ILE 94 HD1 ILE 94 1.438 -1.672 1.912 752 H ARG 95 HN ARG 95 4.885 -3.586 2.877 753 HA ARG 95 HA ARG 95 2.818 -4.140 4.875 754 1HB ARG 95 HB2 ARG 95 4.912 -4.866 6.363 755 2HB ARG 95 HB1 ARG 95 4.009 -6.026 5.405 756 1HG ARG 95 HG2 ARG 95 5.753 -5.392 3.560 757 2HG ARG 95 HG1 ARG 95 6.713 -4.894 4.949 758 1HD ARG 95 HD2 ARG 95 5.795 -7.603 4.119 759 2HD ARG 95 HD1 ARG 95 7.381 -7.081 4.670 760 HE ARG 95 HE ARG 95 5.547 -6.883 6.796 761 1HH1 ARG 95 HH1 ARG 95 7.236 -9.234 4.859 762 2HH1 ARG 95 HH1 ARG 95 7.182 -10.470 6.070 763 1HH2 ARG 95 HH2 ARG 95 5.459 -8.521 8.404 764 2HH2 ARG 95 HH2 ARG 95 6.170 -10.067 8.081 765 H ILE 96 HN ILE 96 3.679 -3.247 7.093 766 HA ILE 96 HA ILE 96 5.134 -0.739 6.616 767 HB ILE 96 HB ILE 96 2.804 -0.853 8.517 768 1HG1 ILE 96 HG1 ILE 96 2.706 0.018 5.619 769 2HG1 ILE 96 HG1 ILE 96 1.989 -1.459 6.254 770 1HG2 ILE 96 HG2 ILE 96 4.780 1.039 7.982 771 2HG2 ILE 96 HG2 ILE 96 3.308 1.273 8.921 772 3HG2 ILE 96 HG2 ILE 96 3.328 1.658 7.200 773 1HD1 ILE 96 HD1 ILE 96 0.184 -0.386 6.977 774 2HD1 ILE 96 HD1 ILE 96 0.731 0.952 5.968 775 3HD1 ILE 96 HD1 ILE 96 1.135 0.920 7.685 776 H GLN 97 HN GLN 97 6.171 0.130 8.519 777 HA GLN 97 HA GLN 97 6.616 -1.896 10.618 778 1HB GLN 97 HB2 GLN 97 8.525 -0.546 8.885 779 2HB GLN 97 HB1 GLN 97 8.911 -0.372 10.584 780 1HG GLN 97 HG2 GLN 97 9.834 -2.356 10.563 781 2HG GLN 97 HG1 GLN 97 8.253 -3.059 10.226 782 1HE2 GLN 97 HE2 GLN 97 7.700 -2.376 7.736 783 2HE2 GLN 97 HE2 GLN 97 8.892 -2.954 6.634 784 H ASP 98 HN ASP 98 6.929 -1.195 12.732 785 HA ASP 98 HA ASP 98 6.437 1.659 13.245 786 1HB ASP 98 HB2 ASP 98 4.382 0.367 13.668 787 2HB ASP 98 HB1 ASP 98 5.263 -0.658 14.791 788 H GLY 99 HN GLY 99 8.744 1.825 13.498 789 1HA GLY 99 HA2 GLY 99 10.481 2.196 14.977 790 2HA GLY 99 HA1 GLY 99 9.517 1.445 16.239 791 H THR 100 HN THR 100 9.577 -0.598 13.624 792 HA THR 100 HA THR 100 10.912 -2.337 12.939 793 HB THR 100 HB THR 100 12.752 -1.749 15.260 794 HG1 THR 100 HG1 THR 100 13.798 -0.364 14.002 795 1HG2 THR 100 HG2 THR 100 13.338 -3.143 12.666 796 2HG2 THR 100 HG2 THR 100 12.984 -3.972 14.182 797 3HG2 THR 100 HG2 THR 100 14.413 -2.946 14.050 798 H GLY 101 HN GLY 101 9.875 -1.839 16.212 799 1HA GLY 101 HA2 GLY 101 10.079 -4.598 16.988 800 2HA GLY 101 HA1 GLY 101 9.257 -3.325 17.873 801 H ARG 102 HN ARG 102 7.372 -2.448 16.186 802 HA ARG 102 HA ARG 102 5.691 -4.827 15.768 803 1HB ARG 102 HB2 ARG 102 4.693 -2.009 16.153 804 2HB ARG 102 HB1 ARG 102 3.795 -3.513 16.324 805 1HG ARG 102 HG2 ARG 102 6.016 -2.584 18.136 806 2HG ARG 102 HG1 ARG 102 4.290 -2.496 18.490 807 1HD ARG 102 HD2 ARG 102 4.623 -5.126 17.802 808 2HD ARG 102 HD1 ARG 102 6.131 -4.763 18.640 809 HE ARG 102 HE ARG 102 4.345 -3.779 20.351 810 1HH1 ARG 102 HH1 ARG 102 4.417 -6.831 18.652 811 2HH1 ARG 102 HH1 ARG 102 3.546 -7.678 19.886 812 1HH2 ARG 102 HH2 ARG 102 3.206 -4.895 21.973 813 2HH2 ARG 102 HH2 ARG 102 2.861 -6.580 21.770 814 H SER 103 HN SER 103 4.882 -5.228 13.781 815 HA SER 103 HA SER 103 4.623 -3.131 11.801 816 1HB SER 103 HB2 SER 103 6.385 -5.428 11.004 817 2HB SER 103 HB1 SER 103 6.275 -3.816 10.303 818 HG SER 103 HG SER 103 7.243 -3.037 12.268 819 H ALA 104 HN ALA 104 3.157 -3.643 10.193 820 HA ALA 104 HA ALA 104 2.010 -6.358 10.329 821 1HB ALA 104 HB1 ALA 104 0.754 -3.890 10.782 822 2HB ALA 104 HB2 ALA 104 0.000 -5.480 10.653 823 3HB ALA 104 HB3 ALA 104 0.164 -4.464 9.221 824 H PHE 105 HN PHE 105 1.464 -7.405 8.435 825 HA PHE 105 HA PHE 105 2.447 -6.158 5.953 826 1HB PHE 105 HB2 PHE 105 3.897 -7.959 6.612 827 2HB PHE 105 HB1 PHE 105 2.533 -9.039 6.845 828 HD1 PHE 105 HD1 PHE 105 3.438 -6.781 4.007 829 HD2 PHE 105 HD2 PHE 105 2.735 -10.754 5.352 830 HE1 PHE 105 HE1 PHE 105 3.731 -7.603 1.715 831 HE2 PHE 105 HE2 PHE 105 3.017 -11.585 3.056 832 HZ PHE 105 HZ PHE 105 3.520 -10.013 1.240 833 H ILE 106 HN ILE 106 1.289 -6.394 4.057 834 HA ILE 106 HA ILE 106 -1.197 -7.912 4.059 835 HB ILE 106 HB ILE 106 -2.427 -5.852 3.190 836 1HG1 ILE 106 HG1 ILE 106 -1.045 -3.906 4.707 837 2HG1 ILE 106 HG1 ILE 106 0.161 -4.705 3.706 838 1HG2 ILE 106 HG2 ILE 106 -2.506 -4.926 5.693 839 2HG2 ILE 106 HG2 ILE 106 -1.693 -6.460 5.982 840 3HG2 ILE 106 HG2 ILE 106 -3.274 -6.436 5.203 841 1HD1 ILE 106 HD1 ILE 106 -0.997 -2.638 2.775 842 2HD1 ILE 106 HD1 ILE 106 -2.397 -3.685 2.540 843 3HD1 ILE 106 HD1 ILE 106 -0.873 -4.054 1.732 844 H GLY 107 HN GLY 107 -2.187 -7.945 1.877 845 1HA GLY 107 HA2 GLY 107 -0.154 -7.416 -0.206 846 2HA GLY 107 HA1 GLY 107 -1.199 -8.829 -0.223 847 H ILE 108 HN ILE 108 -0.845 -6.727 -2.238 848 HA ILE 108 HA ILE 108 -3.674 -6.060 -2.568 849 HB ILE 108 HB ILE 108 -1.492 -4.010 -2.932 850 1HG1 ILE 108 HG1 ILE 108 -3.491 -3.177 -1.083 851 2HG1 ILE 108 HG1 ILE 108 -2.902 -4.756 -0.581 852 1HG2 ILE 108 HG2 ILE 108 -4.366 -4.096 -3.616 853 2HG2 ILE 108 HG2 ILE 108 -3.027 -3.346 -4.476 854 3HG2 ILE 108 HG2 ILE 108 -3.707 -2.569 -3.046 855 1HD1 ILE 108 HD1 ILE 108 -1.131 -2.413 -1.196 856 2HD1 ILE 108 HD1 ILE 108 -0.657 -3.961 -0.493 857 3HD1 ILE 108 HD1 ILE 108 -1.686 -2.855 0.418 858 H GLY 109 HN GLY 109 -4.222 -5.471 -4.790 859 1HA GLY 109 HA2 GLY 109 -2.356 -5.662 -6.917 860 2HA GLY 109 HA1 GLY 109 -3.194 -7.191 -6.708 861 H PHE 110 HN PHE 110 -3.873 -6.643 -8.955 862 HA PHE 110 HA PHE 110 -6.488 -5.380 -8.861 863 1HB PHE 110 HB2 PHE 110 -4.152 -4.260 -10.301 864 2HB PHE 110 HB1 PHE 110 -5.665 -4.302 -11.200 865 HD1 PHE 110 HD1 PHE 110 -7.609 -3.781 -9.017 866 HD2 PHE 110 HD2 PHE 110 -3.841 -2.014 -9.859 867 HE1 PHE 110 HE1 PHE 110 -8.318 -1.719 -7.873 868 HE2 PHE 110 HE2 PHE 110 -4.535 0.046 -8.720 869 HZ PHE 110 HZ PHE 110 -6.774 0.195 -7.725 870 H THR 111 HN THR 111 -7.754 -5.811 -10.801 871 HA THR 111 HA THR 111 -7.554 -8.507 -11.594 872 HB THR 111 HB THR 111 -9.164 -6.516 -13.160 873 HG1 THR 111 HG1 THR 111 -9.421 -6.034 -10.901 874 1HG2 THR 111 HG2 THR 111 -10.411 -8.936 -12.109 875 2HG2 THR 111 HG2 THR 111 -9.087 -9.230 -13.236 876 3HG2 THR 111 HG2 THR 111 -10.461 -8.241 -13.728 877 H ASP 112 HN ASP 112 -5.915 -5.770 -12.712 878 HA ASP 112 HA ASP 112 -4.853 -7.294 -14.950 879 1HB ASP 112 HB2 ASP 112 -6.651 -5.077 -15.288 880 2HB ASP 112 HB1 ASP 112 -5.064 -4.642 -15.916 881 H ARG 113 HN ARG 113 -2.997 -5.884 -15.990 882 HA ARG 113 HA ARG 113 -1.250 -5.195 -13.775 883 1HB ARG 113 HB2 ARG 113 -0.705 -6.640 -15.909 884 2HB ARG 113 HB1 ARG 113 -0.382 -5.071 -16.634 885 1HG ARG 113 HG2 ARG 113 1.019 -4.848 -14.335 886 2HG ARG 113 HG1 ARG 113 1.145 -6.582 -14.629 887 1HD ARG 113 HD2 ARG 113 2.619 -6.271 -16.266 888 2HD ARG 113 HD1 ARG 113 1.576 -5.096 -17.062 889 HE ARG 113 HE ARG 113 3.640 -4.504 -15.057 890 1HH1 ARG 113 HH1 ARG 113 1.343 -3.397 -17.448 891 2HH1 ARG 113 HH1 ARG 113 1.976 -1.788 -17.488 892 1HH2 ARG 113 HH2 ARG 113 4.464 -2.380 -15.112 893 2HH2 ARG 113 HH2 ARG 113 3.740 -1.209 -16.163 894 H GLY 114 HN GLY 114 -2.724 -3.647 -16.583 895 1HA GLY 114 HA2 GLY 114 -1.358 -1.259 -16.685 896 2HA GLY 114 HA1 GLY 114 -3.074 -1.414 -17.034 897 H ASP 115 HN ASP 115 -4.209 -1.949 -14.672 898 HA ASP 115 HA ASP 115 -4.217 0.561 -13.371 899 1HB ASP 115 HB2 ASP 115 -5.566 -2.057 -12.987 900 2HB ASP 115 HB1 ASP 115 -5.507 -0.986 -11.592 901 H ALA 116 HN ALA 116 -3.019 -2.630 -12.358 902 HA ALA 116 HA ALA 116 -2.116 -2.071 -9.827 903 1HB ALA 116 HB1 ALA 116 -0.168 -3.697 -11.180 904 2HB ALA 116 HB2 ALA 116 -1.800 -4.149 -11.675 905 3HB ALA 116 HB3 ALA 116 -1.365 -4.156 -9.968 906 H PHE 117 HN PHE 117 -0.722 -1.126 -12.873 907 HA PHE 117 HA PHE 117 1.816 -0.337 -11.864 908 1HB PHE 117 HB2 PHE 117 1.668 -0.806 -14.187 909 2HB PHE 117 HB1 PHE 117 0.302 0.284 -14.397 910 HD1 PHE 117 HD1 PHE 117 0.665 2.736 -14.315 911 HD2 PHE 117 HD2 PHE 117 3.897 -0.032 -14.315 912 HE1 PHE 117 HE1 PHE 117 2.204 4.539 -14.978 913 HE2 PHE 117 HE2 PHE 117 5.442 1.766 -14.976 914 HZ PHE 117 HZ PHE 117 4.595 4.055 -15.308 915 H ASP 118 HN ASP 118 -1.087 1.511 -12.785 916 HA ASP 118 HA ASP 118 -0.228 4.057 -12.209 917 1HB ASP 118 HB2 ASP 118 -2.896 2.717 -12.142 918 2HB ASP 118 HB1 ASP 118 -2.762 4.351 -11.497 919 H PHE 119 HN PHE 119 -1.607 1.690 -9.945 920 HA PHE 119 HA PHE 119 -1.631 3.382 -7.699 921 1HB PHE 119 HB2 PHE 119 -2.799 1.579 -7.035 922 2HB PHE 119 HB1 PHE 119 -2.024 0.542 -8.226 923 HD1 PHE 119 HD1 PHE 119 -0.117 -0.806 -7.643 924 HD2 PHE 119 HD2 PHE 119 -1.877 1.812 -4.788 925 HE1 PHE 119 HE1 PHE 119 1.150 -1.914 -5.852 926 HE2 PHE 119 HE2 PHE 119 -0.614 0.703 -2.988 927 HZ PHE 119 HZ PHE 119 0.904 -1.161 -3.521 928 H ASN 120 HN ASN 120 0.742 0.907 -8.655 929 HA ASN 120 HA ASN 120 2.578 1.281 -6.618 930 1HB ASN 120 HB2 ASN 120 2.444 -0.320 -8.816 931 2HB ASN 120 HB1 ASN 120 3.749 0.769 -9.276 932 1HD2 ASN 120 HD2 ASN 120 5.518 1.014 -7.721 933 2HD2 ASN 120 HD2 ASN 120 5.983 -0.358 -6.780 934 H VAL 121 HN VAL 121 2.755 2.698 -9.889 935 HA VAL 121 HA VAL 121 4.944 4.336 -9.487 936 HB VAL 121 HB VAL 121 3.967 5.812 -11.278 937 1HG1 VAL 121 HG1 VAL 121 4.904 4.434 -12.749 938 2HG1 VAL 121 HG1 VAL 121 3.655 3.213 -12.515 939 3HG1 VAL 121 HG1 VAL 121 5.049 3.267 -11.435 940 1HG2 VAL 121 HG2 VAL 121 1.766 5.789 -11.579 941 2HG2 VAL 121 HG2 VAL 121 1.588 4.378 -10.538 942 3HG2 VAL 121 HG2 VAL 121 1.928 4.167 -12.253 943 H SER 122 HN SER 122 1.616 4.829 -8.513 944 HA SER 122 HA SER 122 1.793 7.595 -7.949 945 1HB SER 122 HB2 SER 122 -0.192 5.584 -7.772 946 2HB SER 122 HB1 SER 122 -0.052 6.295 -6.163 947 HG SER 122 HG SER 122 -1.524 7.333 -7.762 948 H LEU 123 HN LEU 123 2.070 4.737 -5.840 949 HA LEU 123 HA LEU 123 2.561 6.010 -3.438 950 1HB LEU 123 HB2 LEU 123 2.602 3.395 -4.354 951 2HB LEU 123 HB1 LEU 123 4.251 3.658 -3.819 952 HG LEU 123 HG LEU 123 2.098 4.490 -1.952 953 1HD1 LEU 123 HD1 LEU 123 2.103 2.071 -1.098 954 2HD1 LEU 123 HD1 LEU 123 2.650 1.645 -2.719 955 3HD1 LEU 123 HD1 LEU 123 1.100 2.455 -2.497 956 1HD2 LEU 123 HD2 LEU 123 3.727 4.313 -0.417 957 2HD2 LEU 123 HD2 LEU 123 4.807 4.335 -1.812 958 3HD2 LEU 123 HD2 LEU 123 4.333 2.799 -1.086 959 H GLN 124 HN GLN 124 4.684 5.518 -6.163 960 HA GLN 124 HA GLN 124 7.089 6.226 -4.784 961 1HB GLN 124 HB2 GLN 124 6.619 4.979 -7.125 962 2HB GLN 124 HB1 GLN 124 6.951 6.601 -7.716 963 1HG GLN 124 HG2 GLN 124 9.075 6.532 -6.357 964 2HG GLN 124 HG1 GLN 124 8.751 4.818 -6.106 965 1HE2 GLN 124 HE2 GLN 124 8.201 6.754 -9.014 966 2HE2 GLN 124 HE2 GLN 124 9.287 5.866 -10.020 967 H ASP 125 HN ASP 125 5.027 7.952 -7.125 968 HA ASP 125 HA ASP 125 6.368 10.327 -7.312 969 1HB ASP 125 HB2 ASP 125 3.638 9.439 -7.735 970 2HB ASP 125 HB1 ASP 125 3.689 11.109 -7.178 971 H HIS 126 HN HIS 126 4.019 9.439 -4.799 972 HA HIS 126 HA HIS 126 4.349 11.921 -3.396 973 1HB HIS 126 HB2 HIS 126 2.924 9.343 -2.761 974 2HB HIS 126 HB1 HIS 126 3.032 10.655 -1.592 975 HD2 HIS 126 HD2 HIS 126 2.532 12.143 -5.028 976 HE1 HIS 126 HE1 HIS 126 -1.346 11.717 -3.358 977 HE2 HIS 126 HE2 HIS 126 0.009 12.668 -5.257 978 H PHE 127 HN PHE 127 5.418 8.566 -2.857 979 HA PHE 127 HA PHE 127 6.708 8.968 -0.412 980 1HB PHE 127 HB2 PHE 127 6.303 6.829 -2.103 981 2HB PHE 127 HB1 PHE 127 8.046 7.018 -2.134 982 HD1 PHE 127 HD1 PHE 127 9.191 5.721 -0.664 983 HD2 PHE 127 HD2 PHE 127 5.323 7.123 0.420 984 HE1 PHE 127 HE1 PHE 127 9.356 4.511 1.469 985 HE2 PHE 127 HE2 PHE 127 5.481 5.916 2.560 986 HZ PHE 127 HZ PHE 127 7.501 4.607 3.085 987 H LYS 128 HN LYS 128 8.657 8.198 -3.274 988 HA LYS 128 HA LYS 128 10.710 10.017 -2.306 989 1HB LYS 128 HB2 LYS 128 10.838 8.115 -4.650 990 2HB LYS 128 HB1 LYS 128 12.190 8.924 -3.869 991 1HG LYS 128 HG2 LYS 128 12.176 7.517 -2.067 992 2HG LYS 128 HG1 LYS 128 10.458 7.152 -2.224 993 1HD LYS 128 HD2 LYS 128 10.898 5.330 -3.425 994 2HD LYS 128 HD1 LYS 128 11.874 6.259 -4.562 995 1HE LYS 128 HE2 LYS 128 13.671 5.202 -3.791 996 2HE LYS 128 HE1 LYS 128 13.433 6.016 -2.246 997 1HZ LYS 128 HZ1 LYS 128 11.858 4.133 -1.709 998 2HZ LYS 128 HZ2 LYS 128 13.501 3.738 -1.764 999 3HZ LYS 128 HZ3 LYS 128 12.491 3.330 -3.057 1000 H TRP 129 HN TRP 129 11.974 11.185 -4.108 1001 HA TRP 129 HA TRP 129 10.276 12.171 -6.256 1002 1HB TRP 129 HB2 TRP 129 11.021 13.733 -3.856 1003 2HB TRP 129 HB1 TRP 129 11.233 14.556 -5.398 1004 HD1 TRP 129 HD1 TRP 129 8.775 14.317 -2.814 1005 HE1 TRP 129 HE1 TRP 129 6.396 14.790 -3.674 1006 HE3 TRP 129 HE3 TRP 129 9.607 13.817 -7.834 1007 HZ2 TRP 129 HZ2 TRP 129 5.051 14.934 -6.152 1008 HZ3 TRP 129 HZ3 TRP 129 7.724 14.138 -9.381 1009 HH2 TRP 129 HH2 TRP 129 5.492 14.685 -8.556 1010 H VAL 130 HN VAL 130 11.489 13.607 -7.746 1011 HA VAL 130 HA VAL 130 14.395 13.354 -7.629 1012 HB VAL 130 HB VAL 130 12.838 12.462 -10.060 1013 1HG1 VAL 130 HG1 VAL 130 14.853 12.013 -11.084 1014 2HG1 VAL 130 HG1 VAL 130 15.727 11.904 -9.556 1015 3HG1 VAL 130 HG1 VAL 130 15.237 13.478 -10.180 1016 1HG2 VAL 130 HG2 VAL 130 13.891 10.953 -7.726 1017 2HG2 VAL 130 HG2 VAL 130 14.026 10.219 -9.323 1018 3HG2 VAL 130 HG2 VAL 130 12.443 10.676 -8.693 1019 H LYS 131 HN LYS 131 11.612 14.496 -9.523 1020 HA LYS 131 HA LYS 131 13.187 16.718 -10.560 1021 1HB LYS 131 HB2 LYS 131 10.987 15.209 -11.513 1022 2HB LYS 131 HB1 LYS 131 10.416 16.858 -11.301 1023 1HG LYS 131 HG2 LYS 131 12.191 17.691 -12.720 1024 2HG LYS 131 HG1 LYS 131 12.854 16.063 -12.880 1025 1HD LYS 131 HD2 LYS 131 11.619 16.039 -14.770 1026 2HD LYS 131 HD1 LYS 131 10.312 15.621 -13.661 1027 1HE LYS 131 HE2 LYS 131 9.229 17.408 -14.430 1028 2HE LYS 131 HE1 LYS 131 10.419 18.393 -13.582 1029 1HZ LYS 131 HZ1 LYS 131 11.029 17.392 -16.278 1030 2HZ LYS 131 HZ2 LYS 131 11.598 18.781 -15.497 1031 3HZ LYS 131 HZ3 LYS 131 10.019 18.738 -16.103 1032 H GLN 132 HN GLN 132 12.916 16.871 -7.837 1033 HA GLN 132 HA GLN 132 10.676 18.520 -7.112 1034 1HB GLN 132 HB2 GLN 132 12.533 16.960 -5.728 1035 2HB GLN 132 HB1 GLN 132 12.907 18.610 -5.252 1036 1HG GLN 132 HG2 GLN 132 10.323 18.770 -4.882 1037 2HG GLN 132 HG1 GLN 132 10.440 17.013 -4.784 1038 1HE2 GLN 132 HE2 GLN 132 10.025 19.400 -2.846 1039 2HE2 GLN 132 HE2 GLN 132 11.045 18.991 -1.514 1040 H GLU 133 HN GLU 133 10.754 20.352 -8.399 1041 HA GLU 133 HA GLU 133 12.768 22.316 -7.602 1042 1HB GLU 133 HB2 GLU 133 12.047 21.799 -10.493 1043 2HB GLU 133 HB1 GLU 133 13.132 23.049 -9.903 1044 1HG GLU 133 HG2 GLU 133 14.811 21.641 -10.149 1045 2HG GLU 133 HG1 GLU 133 14.120 20.647 -8.868 Start of MODEL 6 1 1H MET 1 HT1 MET 1 1.690 28.344 10.911 2 2H MET 1 HT2 MET 1 0.317 28.530 11.922 3 3H MET 1 HT3 MET 1 0.411 29.380 10.433 4 HA MET 1 HA MET 1 0.245 26.460 10.774 5 1HB MET 1 HB2 MET 1 -1.709 28.637 10.502 6 2HB MET 1 HB1 MET 1 -1.950 27.325 9.359 7 1HG MET 1 HG2 MET 1 -1.533 26.660 12.226 8 2HG MET 1 HG1 MET 1 -3.090 27.313 11.718 9 1HE MET 1 HE1 MET 1 -1.458 23.135 11.084 10 2HE MET 1 HE2 MET 1 -1.489 24.089 12.568 11 3HE MET 1 HE3 MET 1 -0.437 24.566 11.235 12 H ALA 2 HN ALA 2 2.328 27.754 9.287 13 HA ALA 2 HA ALA 2 2.151 26.405 6.846 14 1HB ALA 2 HB1 ALA 2 1.572 27.953 5.254 15 2HB ALA 2 HB2 ALA 2 2.010 29.326 6.271 16 3HB ALA 2 HB3 ALA 2 0.516 28.443 6.578 17 H ALA 3 HN ALA 3 4.216 25.880 6.605 18 HA ALA 3 HA ALA 3 6.241 27.897 6.336 19 1HB ALA 3 HB1 ALA 3 6.161 26.160 8.778 20 2HB ALA 3 HB2 ALA 3 6.411 27.902 8.661 21 3HB ALA 3 HB3 ALA 3 7.683 26.793 8.152 22 H GLU 4 HN GLU 4 7.845 27.201 5.018 23 HA GLU 4 HA GLU 4 7.698 24.438 4.099 24 1HB GLU 4 HB2 GLU 4 9.386 26.683 2.987 25 2HB GLU 4 HB1 GLU 4 9.006 25.153 2.208 26 1HG GLU 4 HG2 GLU 4 6.543 26.338 2.826 27 2HG GLU 4 HG1 GLU 4 7.558 27.623 2.174 28 H LEU 5 HN LEU 5 8.610 24.055 6.416 29 HA LEU 5 HA LEU 5 11.426 23.441 6.072 30 1HB LEU 5 HB2 LEU 5 10.723 25.726 7.458 31 2HB LEU 5 HB1 LEU 5 10.958 24.544 8.731 32 HG LEU 5 HG LEU 5 13.147 24.303 6.932 33 1HD1 LEU 5 HD1 LEU 5 13.308 26.368 6.083 34 2HD1 LEU 5 HD1 LEU 5 13.881 26.813 7.692 35 3HD1 LEU 5 HD1 LEU 5 12.187 27.047 7.262 36 1HD2 LEU 5 HD2 LEU 5 12.648 24.942 9.770 37 2HD2 LEU 5 HD2 LEU 5 14.209 25.441 9.118 38 3HD2 LEU 5 HD2 LEU 5 13.723 23.746 9.046 39 H GLU 6 HN GLU 6 8.389 22.983 7.692 40 HA GLU 6 HA GLU 6 9.267 20.339 8.541 41 1HB GLU 6 HB2 GLU 6 8.437 22.540 10.366 42 2HB GLU 6 HB1 GLU 6 7.865 20.919 10.736 43 1HG GLU 6 HG2 GLU 6 9.873 20.234 11.433 44 2HG GLU 6 HG1 GLU 6 10.718 21.057 10.123 45 H TYR 7 HN TYR 7 7.838 20.179 6.539 46 HA TYR 7 HA TYR 7 5.189 19.408 7.414 47 1HB TYR 7 HB2 TYR 7 5.675 21.669 5.499 48 2HB TYR 7 HB1 TYR 7 4.236 20.668 5.334 49 HD1 TYR 7 HD1 TYR 7 2.412 20.865 6.869 50 HD2 TYR 7 HD2 TYR 7 6.006 23.040 7.528 51 HE1 TYR 7 HE1 TYR 7 1.271 22.217 8.577 52 HE2 TYR 7 HE2 TYR 7 4.878 24.400 9.238 53 HH TYR 7 HH TYR 7 1.426 23.991 9.943 54 H GLU 8 HN GLU 8 4.997 17.413 6.657 55 HA GLU 8 HA GLU 8 5.445 16.849 3.855 56 1HB GLU 8 HB2 GLU 8 7.245 15.854 6.008 57 2HB GLU 8 HB1 GLU 8 6.807 14.727 4.733 58 1HG GLU 8 HG2 GLU 8 8.582 15.571 3.680 59 2HG GLU 8 HG1 GLU 8 7.498 16.903 3.277 60 H SER 9 HN SER 9 4.095 15.313 3.129 61 HA SER 9 HA SER 9 3.052 13.244 4.804 62 1HB SER 9 HB2 SER 9 0.651 13.962 4.521 63 2HB SER 9 HB1 SER 9 1.592 14.960 5.630 64 HG SER 9 HG SER 9 1.242 15.605 2.895 65 H VAL 10 HN VAL 10 2.748 11.535 3.565 66 HA VAL 10 HA VAL 10 3.117 11.505 0.808 67 HB VAL 10 HB VAL 10 3.380 9.523 2.201 68 1HG1 VAL 10 HG1 VAL 10 1.568 8.376 3.208 69 2HG1 VAL 10 HG1 VAL 10 0.381 9.373 2.375 70 3HG1 VAL 10 HG1 VAL 10 1.380 10.073 3.648 71 1HG2 VAL 10 HG2 VAL 10 1.419 8.224 0.659 72 2HG2 VAL 10 HG2 VAL 10 3.133 8.426 0.282 73 3HG2 VAL 10 HG2 VAL 10 1.958 9.611 -0.282 74 H LEU 11 HN LEU 11 0.077 11.734 2.643 75 HA LEU 11 HA LEU 11 -2.080 11.873 2.005 76 1HB LEU 11 HB2 LEU 11 -2.523 13.680 0.375 77 2HB LEU 11 HB1 LEU 11 -1.453 14.134 1.685 78 HG LEU 11 HG LEU 11 0.445 13.605 -0.030 79 1HD1 LEU 11 HD1 LEU 11 -0.587 12.682 -1.858 80 2HD1 LEU 11 HD1 LEU 11 -0.502 14.378 -2.336 81 3HD1 LEU 11 HD1 LEU 11 -2.010 13.713 -1.708 82 1HD2 LEU 11 HD2 LEU 11 0.305 15.790 0.728 83 2HD2 LEU 11 HD2 LEU 11 -1.319 16.016 0.081 84 3HD2 LEU 11 HD2 LEU 11 0.065 15.963 -1.011 85 H CYS 12 HN CYS 12 -0.734 9.647 0.805 86 HA CYS 12 HA CYS 12 -1.674 9.454 -1.934 87 1HB CYS 12 HB2 CYS 12 0.381 8.229 -1.251 88 2HB CYS 12 HB1 CYS 12 -0.587 7.237 -0.160 89 HG CYS 12 HG CYS 12 -0.136 6.051 -2.510 90 H VAL 13 HN VAL 13 -3.370 8.189 -2.694 91 HA VAL 13 HA VAL 13 -5.082 6.763 -0.845 92 HB VAL 13 HB VAL 13 -7.143 7.986 -1.595 93 1HG1 VAL 13 HG1 VAL 13 -6.494 8.447 0.605 94 2HG1 VAL 13 HG1 VAL 13 -6.704 10.033 -0.134 95 3HG1 VAL 13 HG1 VAL 13 -5.086 9.375 0.091 96 1HG2 VAL 13 HG2 VAL 13 -5.673 9.100 -3.497 97 2HG2 VAL 13 HG2 VAL 13 -5.496 10.357 -2.274 98 3HG2 VAL 13 HG2 VAL 13 -7.103 9.893 -2.834 99 H LYS 14 HN LYS 14 -6.921 5.679 -1.999 100 HA LYS 14 HA LYS 14 -7.000 5.571 -4.823 101 1HB LYS 14 HB2 LYS 14 -4.812 4.266 -4.002 102 2HB LYS 14 HB1 LYS 14 -5.987 2.969 -3.819 103 1HG LYS 14 HG2 LYS 14 -6.106 2.629 -6.015 104 2HG LYS 14 HG1 LYS 14 -6.261 4.352 -6.356 105 1HD LYS 14 HD2 LYS 14 -3.585 3.586 -5.479 106 2HD LYS 14 HD1 LYS 14 -4.089 2.781 -6.967 107 1HE LYS 14 HE2 LYS 14 -3.091 4.751 -7.720 108 2HE LYS 14 HE1 LYS 14 -4.812 5.120 -7.746 109 1HZ LYS 14 HZ1 LYS 14 -3.314 6.856 -6.749 110 2HZ LYS 14 HZ2 LYS 14 -3.076 5.803 -5.448 111 3HZ LYS 14 HZ3 LYS 14 -4.627 6.384 -5.793 112 HA PRO 15 HA PRO 15 -10.741 3.940 -2.770 113 1HB PRO 15 HB2 PRO 15 -12.483 5.136 -4.452 114 2HB PRO 15 HB1 PRO 15 -11.742 5.983 -3.094 115 1HG PRO 15 HG2 PRO 15 -11.008 6.022 -5.991 116 2HG PRO 15 HG1 PRO 15 -11.113 7.369 -4.844 117 1HD PRO 15 HD2 PRO 15 -8.762 6.200 -5.548 118 2HD PRO 15 HD1 PRO 15 -9.040 6.940 -3.958 119 H ASP 16 HN ASP 16 -9.575 3.729 -6.028 120 HA ASP 16 HA ASP 16 -11.360 1.438 -6.521 121 1HB ASP 16 HB2 ASP 16 -10.668 1.814 -8.955 122 2HB ASP 16 HB1 ASP 16 -11.728 3.025 -8.239 123 H VAL 17 HN VAL 17 -10.076 -0.075 -5.429 124 HA VAL 17 HA VAL 17 -7.942 -1.177 -6.992 125 HB VAL 17 HB VAL 17 -6.762 0.602 -5.687 126 1HG1 VAL 17 HG1 VAL 17 -8.201 0.397 -3.659 127 2HG1 VAL 17 HG1 VAL 17 -6.469 0.416 -3.328 128 3HG1 VAL 17 HG1 VAL 17 -7.358 -1.105 -3.282 129 1HG2 VAL 17 HG2 VAL 17 -4.877 -0.696 -5.223 130 2HG2 VAL 17 HG2 VAL 17 -5.740 -1.617 -6.453 131 3HG2 VAL 17 HG2 VAL 17 -5.841 -2.098 -4.758 132 H SER 18 HN SER 18 -7.183 -3.253 -6.148 133 HA SER 18 HA SER 18 -9.163 -4.457 -4.331 134 1HB SER 18 HB2 SER 18 -7.926 -6.534 -5.744 135 2HB SER 18 HB1 SER 18 -9.572 -5.941 -5.958 136 HG SER 18 HG SER 18 -8.966 -5.277 -7.830 137 H VAL 19 HN VAL 19 -8.448 -5.327 -2.532 138 HA VAL 19 HA VAL 19 -5.546 -5.473 -2.144 139 HB VAL 19 HB VAL 19 -7.304 -5.836 0.168 140 1HG1 VAL 19 HG1 VAL 19 -5.638 -3.894 0.872 141 2HG1 VAL 19 HG1 VAL 19 -4.743 -4.544 -0.502 142 3HG1 VAL 19 HG1 VAL 19 -5.161 -5.593 0.850 143 1HG2 VAL 19 HG2 VAL 19 -8.721 -4.220 -0.627 144 2HG2 VAL 19 HG2 VAL 19 -7.445 -3.393 -1.521 145 3HG2 VAL 19 HG2 VAL 19 -7.539 -3.232 0.234 146 H TYR 20 HN TYR 20 -4.628 -7.282 -1.062 147 HA TYR 20 HA TYR 20 -6.211 -9.744 -1.370 148 1HB TYR 20 HB2 TYR 20 -3.304 -9.153 -1.824 149 2HB TYR 20 HB1 TYR 20 -3.817 -10.791 -1.438 150 HD1 TYR 20 HD1 TYR 20 -4.953 -12.146 -3.056 151 HD2 TYR 20 HD2 TYR 20 -4.053 -8.077 -3.930 152 HE1 TYR 20 HE1 TYR 20 -5.485 -12.536 -5.424 153 HE2 TYR 20 HE2 TYR 20 -4.589 -8.465 -6.300 154 HH TYR 20 HH TYR 20 -6.154 -10.257 -7.566 155 H ARG 21 HN ARG 21 -6.565 -10.964 0.351 156 HA ARG 21 HA ARG 21 -5.014 -10.473 2.805 157 1HB ARG 21 HB2 ARG 21 -7.072 -11.160 4.052 158 2HB ARG 21 HB1 ARG 21 -7.257 -9.660 3.160 159 1HG ARG 21 HG2 ARG 21 -8.406 -10.903 1.368 160 2HG ARG 21 HG1 ARG 21 -8.269 -12.372 2.328 161 1HD ARG 21 HD2 ARG 21 -9.397 -10.328 3.961 162 2HD ARG 21 HD1 ARG 21 -10.279 -10.373 2.436 163 HE ARG 21 HE ARG 21 -10.123 -12.492 4.433 164 1HH1 ARG 21 HH1 ARG 21 -11.250 -11.456 1.289 165 2HH1 ARG 21 HH1 ARG 21 -12.414 -12.729 1.154 166 1HH2 ARG 21 HH2 ARG 21 -11.655 -14.163 4.246 167 2HH2 ARG 21 HH2 ARG 21 -12.644 -14.265 2.828 168 H ILE 22 HN ILE 22 -4.444 -12.278 4.052 169 HA ILE 22 HA ILE 22 -4.972 -14.897 2.805 170 HB ILE 22 HB ILE 22 -2.422 -14.449 4.305 171 1HG1 ILE 22 HG1 ILE 22 -1.806 -14.189 1.566 172 2HG1 ILE 22 HG1 ILE 22 -3.127 -13.067 1.864 173 1HG2 ILE 22 HG2 ILE 22 -1.612 -16.250 2.961 174 2HG2 ILE 22 HG2 ILE 22 -3.024 -16.171 1.907 175 3HG2 ILE 22 HG2 ILE 22 -3.199 -16.709 3.574 176 1HD1 ILE 22 HD1 ILE 22 -0.394 -12.726 2.411 177 2HD1 ILE 22 HD1 ILE 22 -1.216 -12.839 3.968 178 3HD1 ILE 22 HD1 ILE 22 -1.725 -11.632 2.787 179 HA PRO 23 HA PRO 23 -7.030 -15.566 6.772 180 1HB PRO 23 HB2 PRO 23 -6.637 -18.388 6.434 181 2HB PRO 23 HB1 PRO 23 -8.124 -17.459 6.239 182 1HG PRO 23 HG2 PRO 23 -6.224 -18.412 4.200 183 2HG PRO 23 HG1 PRO 23 -7.934 -17.979 4.034 184 1HD PRO 23 HD2 PRO 23 -5.948 -16.442 3.043 185 2HD PRO 23 HD1 PRO 23 -7.460 -15.746 3.665 186 HA PRO 24 HA PRO 24 -3.393 -18.202 8.638 187 1HB PRO 24 HB2 PRO 24 -1.191 -18.476 7.042 188 2HB PRO 24 HB1 PRO 24 -2.490 -19.672 7.124 189 1HG PRO 24 HG2 PRO 24 -2.051 -17.490 5.115 190 2HG PRO 24 HG1 PRO 24 -2.496 -19.187 4.841 191 1HD PRO 24 HD2 PRO 24 -4.336 -17.248 4.771 192 2HD PRO 24 HD1 PRO 24 -4.708 -18.835 5.466 193 H ARG 25 HN ARG 25 -2.909 -16.559 10.001 194 HA ARG 25 HA ARG 25 -0.783 -14.717 9.171 195 1HB ARG 25 HB2 ARG 25 -1.905 -12.840 10.278 196 2HB ARG 25 HB1 ARG 25 -2.884 -13.480 8.965 197 1HG ARG 25 HG2 ARG 25 -3.924 -14.904 10.949 198 2HG ARG 25 HG1 ARG 25 -3.364 -13.517 11.885 199 1HD ARG 25 HD2 ARG 25 -5.342 -13.584 9.627 200 2HD ARG 25 HD1 ARG 25 -5.570 -12.992 11.271 201 HE ARG 25 HE ARG 25 -3.653 -11.358 10.308 202 1HH1 ARG 25 HH1 ARG 25 -6.777 -12.318 9.087 203 2HH1 ARG 25 HH1 ARG 25 -7.043 -10.830 8.243 204 1HH2 ARG 25 HH2 ARG 25 -4.000 -9.399 9.196 205 2HH2 ARG 25 HH2 ARG 25 -5.467 -9.173 8.303 206 H ALA 26 HN ALA 26 -0.202 -16.920 10.567 207 HA ALA 26 HA ALA 26 0.701 -15.836 13.091 208 1HB ALA 26 HB1 ALA 26 -1.464 -17.830 12.920 209 2HB ALA 26 HB2 ALA 26 -1.099 -16.654 14.182 210 3HB ALA 26 HB3 ALA 26 -0.194 -18.165 14.096 211 H SER 27 HN SER 27 1.992 -16.676 10.679 212 HA SER 27 HA SER 27 3.819 -18.630 11.826 213 1HB SER 27 HB2 SER 27 3.831 -19.831 9.534 214 2HB SER 27 HB1 SER 27 2.501 -20.174 10.641 215 HG SER 27 HG SER 27 1.154 -19.273 9.294 216 H ASN 28 HN ASN 28 5.651 -19.011 10.050 217 HA ASN 28 HA ASN 28 6.295 -16.417 8.824 218 1HB ASN 28 HB2 ASN 28 7.526 -16.584 10.935 219 2HB ASN 28 HB1 ASN 28 8.181 -18.142 10.446 220 1HD2 ASN 28 HD2 ASN 28 9.548 -15.667 11.160 221 2HD2 ASN 28 HD2 ASN 28 10.537 -15.259 9.804 222 H ARG 29 HN ARG 29 5.636 -17.345 6.839 223 HA ARG 29 HA ARG 29 7.743 -18.502 5.361 224 1HB ARG 29 HB2 ARG 29 6.644 -20.641 4.754 225 2HB ARG 29 HB1 ARG 29 7.140 -20.572 6.439 226 1HG ARG 29 HG2 ARG 29 5.070 -21.455 6.703 227 2HG ARG 29 HG1 ARG 29 4.649 -19.742 6.763 228 1HD ARG 29 HD2 ARG 29 3.133 -20.366 5.210 229 2HD ARG 29 HD1 ARG 29 4.494 -20.137 4.118 230 HE ARG 29 HE ARG 29 4.861 -22.606 4.396 231 1HH1 ARG 29 HH1 ARG 29 1.679 -21.210 4.815 232 2HH1 ARG 29 HH1 ARG 29 0.856 -22.657 4.347 233 1HH2 ARG 29 HH2 ARG 29 3.767 -24.497 3.780 234 2HH2 ARG 29 HH2 ARG 29 2.035 -24.517 3.760 235 H GLY 30 HN GLY 30 7.523 -17.872 3.329 236 1HA GLY 30 HA2 GLY 30 4.807 -17.215 2.378 237 2HA GLY 30 HA1 GLY 30 6.194 -16.187 2.050 238 H TYR 31 HN TYR 31 5.212 -16.623 -0.169 239 HA TYR 31 HA TYR 31 6.953 -18.416 -1.538 240 1HB TYR 31 HB2 TYR 31 5.019 -19.882 -0.620 241 2HB TYR 31 HB1 TYR 31 4.049 -19.098 -1.859 242 HD1 TYR 31 HD1 TYR 31 5.112 -19.154 -4.278 243 HD2 TYR 31 HD2 TYR 31 6.078 -21.870 -1.159 244 HE1 TYR 31 HE1 TYR 31 5.886 -20.779 -5.952 245 HE2 TYR 31 HE2 TYR 31 6.863 -23.507 -2.820 246 HH TYR 31 HH TYR 31 7.343 -22.704 -6.113 247 H ARG 32 HN ARG 32 7.123 -17.917 -3.664 248 HA ARG 32 HA ARG 32 6.213 -15.400 -4.520 249 1HB ARG 32 HB2 ARG 32 7.164 -16.136 -6.720 250 2HB ARG 32 HB1 ARG 32 8.270 -16.249 -5.359 251 1HG ARG 32 HG2 ARG 32 7.121 -18.728 -5.368 252 2HG ARG 32 HG1 ARG 32 7.187 -18.345 -7.087 253 1HD ARG 32 HD2 ARG 32 9.478 -18.393 -5.128 254 2HD ARG 32 HD1 ARG 32 9.203 -19.488 -6.478 255 HE ARG 32 HE ARG 32 10.014 -16.670 -6.694 256 1HH1 ARG 32 HH1 ARG 32 9.603 -19.824 -8.150 257 2HH1 ARG 32 HH1 ARG 32 10.555 -19.439 -9.540 258 1HH2 ARG 32 HH2 ARG 32 11.271 -16.174 -8.520 259 2HH2 ARG 32 HH2 ARG 32 11.503 -17.370 -9.752 260 H ALA 33 HN ALA 33 4.899 -14.894 -6.396 261 HA ALA 33 HA ALA 33 2.384 -16.155 -6.362 262 1HB ALA 33 HB1 ALA 33 2.032 -14.767 -8.495 263 2HB ALA 33 HB2 ALA 33 3.630 -14.106 -8.143 264 3HB ALA 33 HB3 ALA 33 2.326 -13.935 -6.972 265 H SER 34 HN SER 34 5.164 -17.347 -7.724 266 HA SER 34 HA SER 34 4.381 -18.246 -10.243 267 1HB SER 34 HB2 SER 34 6.171 -19.635 -8.226 268 2HB SER 34 HB1 SER 34 6.055 -20.048 -9.938 269 HG SER 34 HG SER 34 6.919 -17.580 -8.846 270 H ASP 35 HN ASP 35 3.772 -19.494 -7.027 271 HA ASP 35 HA ASP 35 1.623 -21.145 -8.112 272 1HB ASP 35 HB2 ASP 35 3.975 -22.364 -7.630 273 2HB ASP 35 HB1 ASP 35 3.249 -22.479 -6.029 274 H TRP 36 HN TRP 36 2.127 -18.711 -6.225 275 HA TRP 36 HA TRP 36 1.053 -19.622 -3.726 276 1HB TRP 36 HB2 TRP 36 2.492 -17.451 -4.367 277 2HB TRP 36 HB1 TRP 36 0.884 -16.748 -4.445 278 HD1 TRP 36 HD1 TRP 36 1.213 -15.221 -2.341 279 HE1 TRP 36 HE1 TRP 36 1.350 -15.681 0.183 280 HE3 TRP 36 HE3 TRP 36 1.881 -20.315 -2.443 281 HZ2 TRP 36 HZ2 TRP 36 1.689 -17.878 1.902 282 HZ3 TRP 36 HZ3 TRP 36 2.099 -21.503 -0.304 283 HH2 TRP 36 HH2 TRP 36 2.006 -20.309 1.823 284 H LYS 37 HN LYS 37 -0.245 -17.791 -6.488 285 HA LYS 37 HA LYS 37 -2.392 -17.378 -7.155 286 1HB LYS 37 HB2 LYS 37 -2.407 -19.853 -7.277 287 2HB LYS 37 HB1 LYS 37 -2.958 -19.918 -5.611 288 1HG LYS 37 HG2 LYS 37 -4.716 -18.242 -7.121 289 2HG LYS 37 HG1 LYS 37 -4.510 -19.779 -7.953 290 1HD LYS 37 HD2 LYS 37 -4.888 -20.016 -5.055 291 2HD LYS 37 HD1 LYS 37 -6.263 -19.322 -5.912 292 1HE LYS 37 HE2 LYS 37 -6.230 -21.850 -5.629 293 2HE LYS 37 HE1 LYS 37 -6.539 -21.229 -7.248 294 1HZ LYS 37 HZ1 LYS 37 -4.965 -22.726 -7.783 295 2HZ LYS 37 HZ2 LYS 37 -4.271 -22.741 -6.240 296 3HZ LYS 37 HZ3 LYS 37 -3.892 -21.504 -7.323 297 H LEU 38 HN LEU 38 -4.546 -16.693 -6.394 298 HA LEU 38 HA LEU 38 -5.234 -16.606 -3.662 299 1HB LEU 38 HB2 LEU 38 -3.201 -14.815 -4.390 300 2HB LEU 38 HB1 LEU 38 -4.644 -13.835 -4.286 301 HG LEU 38 HG LEU 38 -4.977 -14.516 -1.981 302 1HD1 LEU 38 HD1 LEU 38 -3.425 -15.889 -0.775 303 2HD1 LEU 38 HD1 LEU 38 -2.441 -16.097 -2.223 304 3HD1 LEU 38 HD1 LEU 38 -4.062 -16.788 -2.153 305 1HD2 LEU 38 HD2 LEU 38 -2.230 -13.842 -1.585 306 2HD2 LEU 38 HD2 LEU 38 -3.668 -12.847 -1.361 307 3HD2 LEU 38 HD2 LEU 38 -2.886 -12.923 -2.940 308 H ASP 39 HN ASP 39 -6.926 -17.354 -5.347 309 HA ASP 39 HA ASP 39 -8.385 -15.195 -6.633 310 1HB ASP 39 HB2 ASP 39 -8.019 -17.584 -7.576 311 2HB ASP 39 HB1 ASP 39 -9.325 -18.045 -6.487 312 H GLN 40 HN GLN 40 -8.440 -16.835 -3.639 313 HA GLN 40 HA GLN 40 -11.244 -16.577 -3.120 314 1HB GLN 40 HB2 GLN 40 -8.840 -17.431 -1.610 315 2HB GLN 40 HB1 GLN 40 -10.185 -16.826 -0.654 316 1HG GLN 40 HG2 GLN 40 -11.037 -18.708 -2.689 317 2HG GLN 40 HG1 GLN 40 -9.852 -19.397 -1.580 318 1HE2 GLN 40 HE2 GLN 40 -12.162 -16.886 -0.754 319 2HE2 GLN 40 HE2 GLN 40 -13.088 -17.840 0.348 320 HA PRO 41 HA PRO 41 -9.878 -12.851 -0.395 321 1HB PRO 41 HB2 PRO 41 -7.359 -11.884 -0.764 322 2HB PRO 41 HB1 PRO 41 -7.764 -13.108 0.433 323 1HG PRO 41 HG2 PRO 41 -6.572 -13.437 -2.285 324 2HG PRO 41 HG1 PRO 41 -6.138 -14.237 -0.761 325 1HD PRO 41 HD2 PRO 41 -7.648 -15.427 -2.655 326 2HD PRO 41 HD1 PRO 41 -7.856 -15.755 -0.923 327 H ASP 42 HN ASP 42 -7.670 -11.000 -2.002 328 HA ASP 42 HA ASP 42 -7.875 -9.270 -3.464 329 1HB ASP 42 HB2 ASP 42 -7.819 -11.123 -5.086 330 2HB ASP 42 HB1 ASP 42 -9.569 -11.271 -4.979 331 H TRP 43 HN TRP 43 -9.303 -8.656 -1.442 332 HA TRP 43 HA TRP 43 -12.114 -8.384 -1.969 333 1HB TRP 43 HB2 TRP 43 -11.884 -6.784 0.137 334 2HB TRP 43 HB1 TRP 43 -11.844 -8.529 0.310 335 HD1 TRP 43 HD1 TRP 43 -9.193 -9.558 0.387 336 HE1 TRP 43 HE1 TRP 43 -7.205 -8.610 1.715 337 HE3 TRP 43 HE3 TRP 43 -10.858 -4.769 1.043 338 HZ2 TRP 43 HZ2 TRP 43 -6.447 -6.167 2.901 339 HZ3 TRP 43 HZ3 TRP 43 -9.437 -3.187 2.285 340 HH2 TRP 43 HH2 TRP 43 -7.278 -3.875 3.194 341 H THR 44 HN THR 44 -13.206 -6.229 -1.893 342 HA THR 44 HA THR 44 -11.650 -4.303 -3.484 343 HB THR 44 HB THR 44 -13.620 -5.275 -4.614 344 HG1 THR 44 HG1 THR 44 -14.539 -2.721 -4.259 345 1HG2 THR 44 HG2 THR 44 -15.863 -4.754 -3.935 346 2HG2 THR 44 HG2 THR 44 -15.271 -3.876 -2.524 347 3HG2 THR 44 HG2 THR 44 -15.045 -5.622 -2.636 348 H GLY 45 HN GLY 45 -11.173 -2.402 -2.607 349 1HA GLY 45 HA2 GLY 45 -12.925 -0.935 -0.930 350 2HA GLY 45 HA1 GLY 45 -11.698 -1.739 0.037 351 H ARG 46 HN ARG 46 -11.649 0.843 0.285 352 HA ARG 46 HA ARG 46 -9.745 1.951 -1.646 353 1HB ARG 46 HB2 ARG 46 -11.716 3.304 -1.182 354 2HB ARG 46 HB1 ARG 46 -11.360 3.273 0.539 355 1HG ARG 46 HG2 ARG 46 -9.126 4.270 -1.010 356 2HG ARG 46 HG1 ARG 46 -10.595 5.213 -1.269 357 1HD ARG 46 HD2 ARG 46 -9.974 4.491 1.522 358 2HD ARG 46 HD1 ARG 46 -8.885 5.650 0.757 359 HE ARG 46 HE ARG 46 -11.211 6.744 0.164 360 1HH1 ARG 46 HH1 ARG 46 -10.152 5.345 3.185 361 2HH1 ARG 46 HH1 ARG 46 -11.163 6.365 4.151 362 1HH2 ARG 46 HH2 ARG 46 -12.535 8.083 1.437 363 2HH2 ARG 46 HH2 ARG 46 -12.514 7.918 3.161 364 H LEU 47 HN LEU 47 -7.667 2.318 -1.153 365 HA LEU 47 HA LEU 47 -6.870 2.084 1.672 366 1HB LEU 47 HB2 LEU 47 -6.172 0.341 -0.399 367 2HB LEU 47 HB1 LEU 47 -4.755 1.349 -0.170 368 HG LEU 47 HG LEU 47 -5.038 0.778 2.346 369 1HD1 LEU 47 HD1 LEU 47 -6.119 -1.297 2.838 370 2HD1 LEU 47 HD1 LEU 47 -6.496 -1.562 1.135 371 3HD1 LEU 47 HD1 LEU 47 -7.279 -0.252 2.019 372 1HD2 LEU 47 HD2 LEU 47 -3.199 0.027 0.871 373 2HD2 LEU 47 HD2 LEU 47 -4.169 -1.377 0.426 374 3HD2 LEU 47 HD2 LEU 47 -3.638 -1.165 2.094 375 H ARG 48 HN ARG 48 -5.463 3.575 2.439 376 HA ARG 48 HA ARG 48 -3.981 5.285 0.646 377 1HB ARG 48 HB2 ARG 48 -4.993 7.369 1.516 378 2HB ARG 48 HB1 ARG 48 -6.127 6.393 0.599 379 1HG ARG 48 HG2 ARG 48 -7.523 6.635 2.295 380 2HG ARG 48 HG1 ARG 48 -6.480 5.533 3.196 381 1HD ARG 48 HD2 ARG 48 -5.675 7.174 4.500 382 2HD ARG 48 HD1 ARG 48 -5.552 8.311 3.162 383 HE ARG 48 HE ARG 48 -7.920 7.838 4.827 384 1HH1 ARG 48 HH1 ARG 48 -6.313 9.700 2.338 385 2HH1 ARG 48 HH1 ARG 48 -7.472 10.984 2.385 386 1HH2 ARG 48 HH2 ARG 48 -9.437 9.529 4.879 387 2HH2 ARG 48 HH2 ARG 48 -9.243 10.888 3.822 388 H ILE 49 HN ILE 49 -2.528 6.757 1.792 389 HA ILE 49 HA ILE 49 -2.124 6.047 4.610 390 HB ILE 49 HB ILE 49 0.293 5.903 4.304 391 1HG1 ILE 49 HG1 ILE 49 -0.010 5.743 1.335 392 2HG1 ILE 49 HG1 ILE 49 0.095 7.334 2.086 393 1HG2 ILE 49 HG2 ILE 49 -1.560 3.989 3.678 394 2HG2 ILE 49 HG2 ILE 49 0.168 3.710 3.893 395 3HG2 ILE 49 HG2 ILE 49 -0.491 3.955 2.276 396 1HD1 ILE 49 HD1 ILE 49 2.286 6.730 1.450 397 2HD1 ILE 49 HD1 ILE 49 2.123 5.123 2.151 398 3HD1 ILE 49 HD1 ILE 49 2.203 6.540 3.200 399 H THR 50 HN THR 50 -1.014 7.617 5.859 400 HA THR 50 HA THR 50 -0.263 10.144 4.728 401 HB THR 50 HB THR 50 -2.028 11.242 6.416 402 HG1 THR 50 HG1 THR 50 -3.257 9.627 7.048 403 1HG2 THR 50 HG2 THR 50 -2.836 12.177 4.587 404 2HG2 THR 50 HG2 THR 50 -3.470 10.638 4.000 405 3HG2 THR 50 HG2 THR 50 -1.798 11.090 3.665 406 H SER 51 HN SER 51 0.412 11.707 6.412 407 HA SER 51 HA SER 51 0.930 10.595 9.048 408 1HB SER 51 HB2 SER 51 3.352 11.715 7.768 409 2HB SER 51 HB1 SER 51 3.190 10.355 8.876 410 HG SER 51 HG SER 51 2.392 9.130 7.099 411 H LYS 52 HN LYS 52 0.888 12.144 10.583 412 HA LYS 52 HA LYS 52 0.145 14.783 9.992 413 1HB LYS 52 HB2 LYS 52 0.011 13.360 12.218 414 2HB LYS 52 HB1 LYS 52 1.547 14.142 12.560 415 1HG LYS 52 HG2 LYS 52 -1.034 15.574 11.958 416 2HG LYS 52 HG1 LYS 52 -0.364 15.307 13.566 417 1HD LYS 52 HD2 LYS 52 1.044 17.031 13.369 418 2HD LYS 52 HD1 LYS 52 1.554 16.535 11.759 419 1HE LYS 52 HE2 LYS 52 -1.118 17.516 11.609 420 2HE LYS 52 HE1 LYS 52 -0.135 18.687 12.486 421 1HZ LYS 52 HZ1 LYS 52 -0.266 18.830 9.940 422 2HZ LYS 52 HZ2 LYS 52 0.826 17.539 9.945 423 3HZ LYS 52 HZ3 LYS 52 1.246 19.005 10.678 424 H GLY 53 HN GLY 53 3.233 13.613 11.344 425 1HA GLY 53 HA2 GLY 53 4.812 15.200 9.594 426 2HA GLY 53 HA1 GLY 53 4.661 15.979 11.162 427 H LYS 54 HN LYS 54 5.005 14.283 13.037 428 HA LYS 54 HA LYS 54 7.668 13.214 12.602 429 1HB LYS 54 HB2 LYS 54 7.757 12.958 15.014 430 2HB LYS 54 HB1 LYS 54 7.172 14.565 14.608 431 1HG LYS 54 HG2 LYS 54 4.831 13.248 14.827 432 2HG LYS 54 HG1 LYS 54 5.817 12.348 15.981 433 1HD LYS 54 HD2 LYS 54 6.449 14.959 16.550 434 2HD LYS 54 HD1 LYS 54 4.733 15.054 16.146 435 1HE LYS 54 HE2 LYS 54 6.077 13.482 18.319 436 2HE LYS 54 HE1 LYS 54 4.767 14.653 18.452 437 1HZ LYS 54 HZ1 LYS 54 3.777 12.682 16.824 438 2HZ LYS 54 HZ2 LYS 54 3.408 12.913 18.458 439 3HZ LYS 54 HZ3 LYS 54 4.636 11.838 18.013 440 H ILE 55 HN ILE 55 4.423 12.064 13.269 441 HA ILE 55 HA ILE 55 5.408 9.292 13.154 442 HB ILE 55 HB ILE 55 3.277 8.631 14.219 443 1HG1 ILE 55 HG1 ILE 55 2.302 10.844 15.468 444 2HG1 ILE 55 HG1 ILE 55 2.744 11.516 13.903 445 1HG2 ILE 55 HG2 ILE 55 3.828 9.501 16.473 446 2HG2 ILE 55 HG2 ILE 55 4.965 10.620 15.721 447 3HG2 ILE 55 HG2 ILE 55 5.227 8.881 15.596 448 1HD1 ILE 55 HD1 ILE 55 0.736 10.835 13.241 449 2HD1 ILE 55 HD1 ILE 55 0.541 9.772 14.635 450 3HD1 ILE 55 HD1 ILE 55 1.430 9.214 13.218 451 H ALA 56 HN ALA 56 3.574 7.759 12.315 452 HA ALA 56 HA ALA 56 2.008 8.915 10.154 453 1HB ALA 56 HB1 ALA 56 4.208 6.918 9.638 454 2HB ALA 56 HB2 ALA 56 4.093 8.568 9.019 455 3HB ALA 56 HB3 ALA 56 2.949 7.345 8.478 456 H TYR 57 HN TYR 57 0.609 7.319 9.111 457 HA TYR 57 HA TYR 57 0.278 4.733 10.254 458 1HB TYR 57 HB2 TYR 57 -1.892 5.115 11.334 459 2HB TYR 57 HB1 TYR 57 -0.617 6.051 12.103 460 HD1 TYR 57 HD1 TYR 57 -3.899 6.172 11.154 461 HD2 TYR 57 HD2 TYR 57 -0.349 8.500 10.897 462 HE1 TYR 57 HE1 TYR 57 -5.257 8.205 10.908 463 HE2 TYR 57 HE2 TYR 57 -1.698 10.540 10.645 464 HH TYR 57 HH TYR 57 -4.420 10.845 9.694 465 H ILE 58 HN ILE 58 -1.290 3.478 9.191 466 HA ILE 58 HA ILE 58 -2.218 4.663 6.665 467 HB ILE 58 HB ILE 58 -2.274 2.405 5.758 468 1HG1 ILE 58 HG1 ILE 58 -0.803 1.003 7.792 469 2HG1 ILE 58 HG1 ILE 58 -2.285 1.646 8.488 470 1HG2 ILE 58 HG2 ILE 58 0.382 2.775 7.115 471 2HG2 ILE 58 HG2 ILE 58 -0.169 3.813 5.801 472 3HG2 ILE 58 HG2 ILE 58 0.050 2.084 5.527 473 1HD1 ILE 58 HD1 ILE 58 -3.331 0.604 6.296 474 2HD1 ILE 58 HD1 ILE 58 -3.049 -0.355 7.750 475 3HD1 ILE 58 HD1 ILE 58 -1.904 -0.425 6.410 476 H LYS 59 HN LYS 59 -4.341 4.492 6.037 477 HA LYS 59 HA LYS 59 -6.172 3.196 7.940 478 1HB LYS 59 HB2 LYS 59 -6.800 5.758 6.476 479 2HB LYS 59 HB1 LYS 59 -7.724 5.006 7.770 480 1HG LYS 59 HG2 LYS 59 -5.381 5.354 9.029 481 2HG LYS 59 HG1 LYS 59 -5.320 6.698 7.892 482 1HD LYS 59 HD2 LYS 59 -7.843 6.265 9.403 483 2HD LYS 59 HD1 LYS 59 -6.460 6.909 10.284 484 1HE LYS 59 HE2 LYS 59 -7.849 8.095 7.891 485 2HE LYS 59 HE1 LYS 59 -7.737 8.761 9.517 486 1HZ LYS 59 HZ1 LYS 59 -6.141 9.448 7.472 487 2HZ LYS 59 HZ2 LYS 59 -5.183 8.295 8.252 488 3HZ LYS 59 HZ3 LYS 59 -5.743 9.640 9.102 489 H LEU 60 HN LEU 60 -8.032 2.271 7.109 490 HA LEU 60 HA LEU 60 -8.193 2.096 4.179 491 1HB LEU 60 HB2 LEU 60 -8.827 -0.292 4.430 492 2HB LEU 60 HB1 LEU 60 -7.167 0.056 4.872 493 HG LEU 60 HG LEU 60 -8.919 0.197 7.178 494 1HD1 LEU 60 HD1 LEU 60 -10.236 -1.436 5.922 495 2HD1 LEU 60 HD1 LEU 60 -9.460 -2.171 7.324 496 3HD1 LEU 60 HD1 LEU 60 -8.798 -2.432 5.712 497 1HD2 LEU 60 HD2 LEU 60 -6.360 -1.064 6.364 498 2HD2 LEU 60 HD2 LEU 60 -7.203 -1.735 7.760 499 3HD2 LEU 60 HD2 LEU 60 -6.726 -0.036 7.751 500 H GLU 61 HN GLU 61 -10.306 1.312 3.413 501 HA GLU 61 HA GLU 61 -12.600 1.218 5.024 502 1HB GLU 61 HB2 GLU 61 -11.622 3.843 4.632 503 2HB GLU 61 HB1 GLU 61 -13.036 3.685 3.601 504 1HG GLU 61 HG2 GLU 61 -14.352 2.963 5.536 505 2HG GLU 61 HG1 GLU 61 -12.934 3.160 6.563 506 H ASP 62 HN ASP 62 -14.609 1.242 3.696 507 HA ASP 62 HA ASP 62 -14.073 0.043 1.123 508 1HB ASP 62 HB2 ASP 62 -15.781 -0.959 2.567 509 2HB ASP 62 HB1 ASP 62 -16.695 0.548 2.554 510 H LYS 63 HN LYS 63 -14.200 1.024 -0.772 511 HA LYS 63 HA LYS 63 -14.514 3.810 -0.997 512 1HB LYS 63 HB2 LYS 63 -13.175 2.403 -2.527 513 2HB LYS 63 HB1 LYS 63 -14.663 1.714 -3.163 514 1HG LYS 63 HG2 LYS 63 -14.599 4.630 -3.232 515 2HG LYS 63 HG1 LYS 63 -13.342 3.849 -4.191 516 1HD LYS 63 HD2 LYS 63 -16.283 3.241 -4.370 517 2HD LYS 63 HD1 LYS 63 -15.380 4.256 -5.496 518 1HE LYS 63 HE2 LYS 63 -14.951 2.414 -6.667 519 2HE LYS 63 HE1 LYS 63 -13.913 1.898 -5.338 520 1HZ LYS 63 HZ1 LYS 63 -15.473 0.468 -4.549 521 2HZ LYS 63 HZ2 LYS 63 -15.890 0.420 -6.187 522 3HZ LYS 63 HZ3 LYS 63 -16.783 1.376 -5.116 523 H VAL 64 HN VAL 64 -16.890 1.598 -0.427 524 HA VAL 64 HA VAL 64 -18.928 2.510 -2.205 525 HB VAL 64 HB VAL 64 -19.027 0.850 0.317 526 1HG1 VAL 64 HG1 VAL 64 -21.291 1.149 -1.639 527 2HG1 VAL 64 HG1 VAL 64 -21.170 2.127 -0.177 528 3HG1 VAL 64 HG1 VAL 64 -21.302 0.374 -0.057 529 1HG2 VAL 64 HG2 VAL 64 -18.044 0.165 -2.096 530 2HG2 VAL 64 HG2 VAL 64 -19.739 -0.275 -2.312 531 3HG2 VAL 64 HG2 VAL 64 -18.809 -0.977 -0.992 532 H SER 65 HN SER 65 -18.776 2.722 1.370 533 HA SER 65 HA SER 65 -19.304 5.509 1.429 534 1HB SER 65 HB2 SER 65 -21.626 5.211 2.520 535 2HB SER 65 HB1 SER 65 -21.517 5.110 0.766 536 HG SER 65 HG SER 65 -21.136 2.671 1.838 537 H GLY 66 HN GLY 66 -17.362 4.482 2.733 538 1HA GLY 66 HA2 GLY 66 -16.399 4.380 4.812 539 2HA GLY 66 HA1 GLY 66 -17.915 4.972 5.466 540 H GLU 67 HN GLU 67 -15.962 2.183 4.803 541 HA GLU 67 HA GLU 67 -17.897 0.221 5.643 542 1HB GLU 67 HB2 GLU 67 -15.758 0.019 4.106 543 2HB GLU 67 HB1 GLU 67 -14.947 -0.279 5.620 544 1HG GLU 67 HG2 GLU 67 -15.619 -2.307 4.323 545 2HG GLU 67 HG1 GLU 67 -16.167 -2.263 5.993 546 H LEU 68 HN LEU 68 -16.699 -1.418 7.308 547 HA LEU 68 HA LEU 68 -17.148 -0.683 9.843 548 1HB LEU 68 HB2 LEU 68 -15.487 -2.381 10.558 549 2HB LEU 68 HB1 LEU 68 -16.553 -2.953 9.286 550 HG LEU 68 HG LEU 68 -14.343 -1.884 7.944 551 1HD1 LEU 68 HD1 LEU 68 -13.581 -3.076 10.540 552 2HD1 LEU 68 HD1 LEU 68 -12.771 -1.848 9.569 553 3HD1 LEU 68 HD1 LEU 68 -12.638 -3.550 9.127 554 1HD2 LEU 68 HD2 LEU 68 -14.804 -3.751 6.846 555 2HD2 LEU 68 HD2 LEU 68 -15.740 -4.372 8.205 556 3HD2 LEU 68 HD2 LEU 68 -14.004 -4.668 8.122 557 H PHE 69 HN PHE 69 -14.291 0.172 7.979 558 HA PHE 69 HA PHE 69 -12.758 1.833 8.294 559 1HB PHE 69 HB2 PHE 69 -14.493 3.148 9.443 560 2HB PHE 69 HB1 PHE 69 -14.142 2.310 10.946 561 HD1 PHE 69 HD1 PHE 69 -11.577 2.446 11.673 562 HD2 PHE 69 HD2 PHE 69 -13.576 5.215 9.136 563 HE1 PHE 69 HE1 PHE 69 -9.911 4.161 12.238 564 HE2 PHE 69 HE2 PHE 69 -11.910 6.936 9.693 565 HZ PHE 69 HZ PHE 69 -10.074 6.410 11.246 566 H ALA 70 HN ALA 70 -10.700 1.449 8.704 567 HA ALA 70 HA ALA 70 -9.804 0.462 11.250 568 1HB ALA 70 HB1 ALA 70 -8.993 -1.636 10.655 569 2HB ALA 70 HB2 ALA 70 -9.141 -1.310 8.929 570 3HB ALA 70 HB3 ALA 70 -10.587 -1.583 9.902 571 H GLN 71 HN GLN 71 -7.475 0.443 11.431 572 HA GLN 71 HA GLN 71 -5.851 1.366 9.262 573 1HB GLN 71 HB2 GLN 71 -5.172 3.490 10.521 574 2HB GLN 71 HB1 GLN 71 -6.716 3.514 9.681 575 1HG GLN 71 HG2 GLN 71 -7.936 3.422 11.647 576 2HG GLN 71 HG1 GLN 71 -6.572 2.805 12.579 577 1HE2 GLN 71 HE2 GLN 71 -8.325 5.537 11.678 578 2HE2 GLN 71 HE2 GLN 71 -7.265 6.740 12.323 579 H ALA 72 HN ALA 72 -3.574 1.694 9.948 580 HA ALA 72 HA ALA 72 -2.943 0.292 12.460 581 1HB ALA 72 HB1 ALA 72 -2.727 -1.165 10.396 582 2HB ALA 72 HB2 ALA 72 -1.296 -1.050 11.423 583 3HB ALA 72 HB3 ALA 72 -1.382 -0.129 9.923 584 HA PRO 73 HA PRO 73 -0.659 4.241 12.515 585 1HB PRO 73 HB2 PRO 73 -0.391 4.342 15.215 586 2HB PRO 73 HB1 PRO 73 -1.834 4.904 14.362 587 1HG PRO 73 HG2 PRO 73 -1.354 2.303 15.761 588 2HG PRO 73 HG1 PRO 73 -2.795 3.337 15.778 589 1HD PRO 73 HD2 PRO 73 -2.626 1.112 14.248 590 2HD PRO 73 HD1 PRO 73 -3.543 2.546 13.745 591 H VAL 74 HN VAL 74 1.471 4.663 12.635 592 HA VAL 74 HA VAL 74 3.216 2.617 13.814 593 HB VAL 74 HB VAL 74 4.785 2.875 11.923 594 1HG1 VAL 74 HG1 VAL 74 2.330 2.052 10.531 595 2HG1 VAL 74 HG1 VAL 74 2.609 1.271 12.087 596 3HG1 VAL 74 HG1 VAL 74 3.828 1.165 10.817 597 1HG2 VAL 74 HG2 VAL 74 4.065 3.933 9.861 598 2HG2 VAL 74 HG2 VAL 74 4.029 5.099 11.185 599 3HG2 VAL 74 HG2 VAL 74 2.527 4.380 10.603 600 H GLU 75 HN GLU 75 5.363 3.368 14.321 601 HA GLU 75 HA GLU 75 5.356 5.959 15.510 602 1HB GLU 75 HB2 GLU 75 6.710 3.614 15.956 603 2HB GLU 75 HB1 GLU 75 7.962 4.629 15.264 604 1HG GLU 75 HG2 GLU 75 8.005 4.794 17.659 605 2HG GLU 75 HG1 GLU 75 7.491 6.333 16.970 606 H GLN 76 HN GLN 76 5.861 5.057 12.354 607 HA GLN 76 HA GLN 76 6.792 6.050 10.529 608 1HB GLN 76 HB2 GLN 76 5.472 7.959 11.722 609 2HB GLN 76 HB1 GLN 76 7.069 8.590 12.083 610 1HG GLN 76 HG2 GLN 76 6.817 7.847 9.302 611 2HG GLN 76 HG1 GLN 76 5.593 9.020 9.785 612 1HE2 GLN 76 HE2 GLN 76 6.397 10.763 8.736 613 2HE2 GLN 76 HE2 GLN 76 7.912 11.502 9.115 614 H TYR 77 HN TYR 77 8.729 4.734 10.920 615 HA TYR 77 HA TYR 77 11.048 6.410 10.964 616 1HB TYR 77 HB2 TYR 77 10.533 6.013 13.393 617 2HB TYR 77 HB1 TYR 77 10.873 4.315 13.138 618 HD1 TYR 77 HD1 TYR 77 13.261 4.646 11.278 619 HD2 TYR 77 HD2 TYR 77 12.206 6.560 14.928 620 HE1 TYR 77 HE1 TYR 77 15.629 5.065 11.732 621 HE2 TYR 77 HE2 TYR 77 14.583 6.985 15.393 622 HH TYR 77 HH TYR 77 16.678 7.125 14.293 623 HA PRO 78 HA PRO 78 12.511 2.012 9.754 624 1HB PRO 78 HB2 PRO 78 10.936 -0.121 10.185 625 2HB PRO 78 HB1 PRO 78 11.967 0.534 11.464 626 1HG PRO 78 HG2 PRO 78 9.048 1.014 10.960 627 2HG PRO 78 HG1 PRO 78 9.854 0.589 12.477 628 1HD PRO 78 HD2 PRO 78 9.188 3.128 11.904 629 2HD PRO 78 HD1 PRO 78 10.667 2.721 12.798 630 H GLY 79 HN GLY 79 11.277 3.662 8.041 631 1HA GLY 79 HA2 GLY 79 9.061 2.541 6.635 632 2HA GLY 79 HA1 GLY 79 10.124 3.809 6.035 633 H ILE 80 HN ILE 80 9.304 0.495 5.895 634 HA ILE 80 HA ILE 80 10.598 -0.032 3.515 635 HB ILE 80 HB ILE 80 12.638 0.197 5.017 636 1HG1 ILE 80 HG1 ILE 80 13.875 -1.461 3.920 637 2HG1 ILE 80 HG1 ILE 80 12.532 -2.591 3.895 638 1HG2 ILE 80 HG2 ILE 80 13.181 -1.490 6.572 639 2HG2 ILE 80 HG2 ILE 80 11.820 -2.492 6.067 640 3HG2 ILE 80 HG2 ILE 80 11.530 -0.982 6.931 641 1HD1 ILE 80 HD1 ILE 80 13.274 -0.484 2.003 642 2HD1 ILE 80 HD1 ILE 80 11.552 -0.580 2.361 643 3HD1 ILE 80 HD1 ILE 80 12.403 -1.993 1.744 644 H ALA 81 HN ALA 81 10.910 -2.650 3.372 645 HA ALA 81 HA ALA 81 10.073 -4.771 3.763 646 1HB ALA 81 HB1 ALA 81 7.760 -3.759 5.343 647 2HB ALA 81 HB2 ALA 81 9.362 -3.779 6.077 648 3HB ALA 81 HB3 ALA 81 8.646 -5.276 5.483 649 H VAL 82 HN VAL 82 9.724 -4.414 1.497 650 HA VAL 82 HA VAL 82 6.896 -4.588 0.804 651 HB VAL 82 HB VAL 82 7.180 -3.084 -1.143 652 1HG1 VAL 82 HG1 VAL 82 7.625 -0.940 0.431 653 2HG1 VAL 82 HG1 VAL 82 7.272 -2.163 1.649 654 3HG1 VAL 82 HG1 VAL 82 6.100 -1.824 0.376 655 1HG2 VAL 82 HG2 VAL 82 9.732 -2.121 0.116 656 2HG2 VAL 82 HG2 VAL 82 9.077 -1.734 -1.475 657 3HG2 VAL 82 HG2 VAL 82 9.710 -3.347 -1.151 658 H GLU 83 HN GLU 83 6.523 -6.012 -0.860 659 HA GLU 83 HA GLU 83 8.824 -6.941 -2.425 660 1HB GLU 83 HB2 GLU 83 8.522 -8.539 -0.572 661 2HB GLU 83 HB1 GLU 83 6.857 -8.785 -1.053 662 1HG GLU 83 HG2 GLU 83 8.514 -9.261 -3.311 663 2HG GLU 83 HG1 GLU 83 9.172 -10.143 -1.938 664 H THR 84 HN THR 84 8.286 -7.819 -4.477 665 HA THR 84 HA THR 84 5.504 -7.386 -5.315 666 HB THR 84 HB THR 84 7.232 -6.783 -7.502 667 HG1 THR 84 HG1 THR 84 7.876 -5.411 -5.113 668 1HG2 THR 84 HG2 THR 84 5.059 -5.517 -6.047 669 2HG2 THR 84 HG2 THR 84 5.443 -5.493 -7.768 670 3HG2 THR 84 HG2 THR 84 6.244 -4.370 -6.670 671 H VAL 85 HN VAL 85 5.810 -8.057 -7.962 672 HA VAL 85 HA VAL 85 5.760 -10.865 -7.845 673 HB VAL 85 HB VAL 85 5.409 -10.764 -10.239 674 1HG1 VAL 85 HG1 VAL 85 3.813 -8.433 -9.638 675 2HG1 VAL 85 HG1 VAL 85 3.870 -9.528 -8.252 676 3HG1 VAL 85 HG1 VAL 85 3.321 -10.117 -9.816 677 1HG2 VAL 85 HG2 VAL 85 6.178 -9.129 -11.564 678 2HG2 VAL 85 HG2 VAL 85 7.044 -8.509 -10.160 679 3HG2 VAL 85 HG2 VAL 85 5.448 -7.881 -10.558 680 H THR 86 HN THR 86 7.771 -11.522 -7.030 681 HA THR 86 HA THR 86 10.251 -10.845 -8.180 682 HB THR 86 HB THR 86 9.780 -13.449 -6.752 683 HG1 THR 86 HG1 THR 86 8.705 -11.843 -5.546 684 1HG2 THR 86 HG2 THR 86 11.949 -13.348 -6.087 685 2HG2 THR 86 HG2 THR 86 12.004 -11.586 -6.139 686 3HG2 THR 86 HG2 THR 86 12.079 -12.516 -7.636 687 H ASP 87 HN ASP 87 7.781 -12.599 -9.525 688 HA ASP 87 HA ASP 87 9.540 -13.654 -11.575 689 1HB ASP 87 HB2 ASP 87 8.166 -15.853 -11.479 690 2HB ASP 87 HB1 ASP 87 9.488 -15.634 -10.334 691 H SER 88 HN SER 88 7.303 -11.636 -11.155 692 HA SER 88 HA SER 88 5.787 -10.701 -12.585 693 1HB SER 88 HB2 SER 88 5.531 -13.137 -14.283 694 2HB SER 88 HB1 SER 88 5.538 -11.436 -14.746 695 HG SER 88 HG SER 88 7.736 -11.393 -14.555 696 H SER 89 HN SER 89 3.813 -10.434 -11.917 697 HA SER 89 HA SER 89 1.797 -12.402 -12.051 698 1HB SER 89 HB2 SER 89 2.903 -13.276 -10.022 699 2HB SER 89 HB1 SER 89 2.699 -11.710 -9.238 700 HG SER 89 HG SER 89 0.451 -11.994 -9.398 701 H ARG 90 HN ARG 90 -0.268 -11.541 -11.651 702 HA ARG 90 HA ARG 90 -0.411 -8.696 -11.985 703 1HB ARG 90 HB2 ARG 90 -2.757 -10.526 -11.557 704 2HB ARG 90 HB1 ARG 90 -2.699 -9.010 -12.450 705 1HG ARG 90 HG2 ARG 90 -1.306 -10.052 -14.155 706 2HG ARG 90 HG1 ARG 90 -1.331 -11.569 -13.256 707 1HD ARG 90 HD2 ARG 90 -4.008 -10.617 -13.655 708 2HD ARG 90 HD1 ARG 90 -3.156 -10.688 -15.197 709 HE ARG 90 HE ARG 90 -4.094 -12.888 -13.687 710 1HH1 ARG 90 HH1 ARG 90 -1.414 -11.886 -15.686 711 2HH1 ARG 90 HH1 ARG 90 -1.028 -13.495 -16.193 712 1HH2 ARG 90 HH2 ARG 90 -3.587 -15.009 -14.354 713 2HH2 ARG 90 HH2 ARG 90 -2.260 -15.268 -15.438 714 H TYR 91 HN TYR 91 0.597 -9.605 -9.377 715 HA TYR 91 HA TYR 91 -1.145 -7.970 -7.738 716 1HB TYR 91 HB2 TYR 91 -1.838 -9.562 -6.258 717 2HB TYR 91 HB1 TYR 91 -1.601 -10.637 -7.631 718 HD1 TYR 91 HD1 TYR 91 -1.330 -10.832 -4.375 719 HD2 TYR 91 HD2 TYR 91 1.320 -10.915 -7.703 720 HE1 TYR 91 HE1 TYR 91 0.281 -12.139 -3.055 721 HE2 TYR 91 HE2 TYR 91 2.936 -12.219 -6.394 722 HH TYR 91 HH TYR 91 2.149 -13.501 -3.244 723 H PHE 92 HN PHE 92 -0.090 -7.870 -5.425 724 HA PHE 92 HA PHE 92 2.754 -8.214 -5.343 725 1HB PHE 92 HB2 PHE 92 2.896 -5.598 -4.759 726 2HB PHE 92 HB1 PHE 92 3.187 -6.233 -6.373 727 HD1 PHE 92 HD1 PHE 92 1.249 -4.013 -4.383 728 HD2 PHE 92 HD2 PHE 92 1.234 -6.226 -8.018 729 HE1 PHE 92 HE1 PHE 92 -0.515 -2.539 -5.280 730 HE2 PHE 92 HE2 PHE 92 -0.528 -4.764 -8.911 731 HZ PHE 92 HZ PHE 92 -1.402 -2.913 -7.539 732 H VAL 93 HN VAL 93 3.604 -7.067 -3.237 733 HA VAL 93 HA VAL 93 1.518 -7.158 -1.169 734 HB VAL 93 HB VAL 93 3.030 -8.409 0.323 735 1HG1 VAL 93 HG1 VAL 93 1.441 -9.797 -0.594 736 2HG1 VAL 93 HG1 VAL 93 2.942 -10.608 -1.041 737 3HG1 VAL 93 HG1 VAL 93 2.083 -9.625 -2.228 738 1HG2 VAL 93 HG2 VAL 93 4.711 -9.315 -1.927 739 2HG2 VAL 93 HG2 VAL 93 5.111 -9.103 -0.222 740 3HG2 VAL 93 HG2 VAL 93 5.034 -7.702 -1.289 741 H ILE 94 HN ILE 94 1.909 -5.874 0.671 742 HA ILE 94 HA ILE 94 4.323 -4.199 0.600 743 HB ILE 94 HB ILE 94 3.047 -2.181 1.068 744 1HG1 ILE 94 HG1 ILE 94 0.416 -2.790 0.357 745 2HG1 ILE 94 HG1 ILE 94 0.888 -4.090 1.446 746 1HG2 ILE 94 HG2 ILE 94 1.981 -1.884 -1.129 747 2HG2 ILE 94 HG2 ILE 94 2.092 -3.623 -1.400 748 3HG2 ILE 94 HG2 ILE 94 3.561 -2.659 -1.243 749 1HD1 ILE 94 HD1 ILE 94 1.658 -2.288 3.042 750 2HD1 ILE 94 HD1 ILE 94 -0.081 -2.433 2.793 751 3HD1 ILE 94 HD1 ILE 94 0.820 -1.144 1.995 752 H ARG 95 HN ARG 95 5.268 -4.040 2.520 753 HA ARG 95 HA ARG 95 3.663 -4.676 4.906 754 1HB ARG 95 HB2 ARG 95 5.445 -6.358 4.168 755 2HB ARG 95 HB1 ARG 95 6.626 -5.160 4.665 756 1HG ARG 95 HG2 ARG 95 5.371 -5.189 6.916 757 2HG ARG 95 HG1 ARG 95 4.695 -6.710 6.333 758 1HD ARG 95 HD2 ARG 95 7.068 -7.457 5.916 759 2HD ARG 95 HD1 ARG 95 7.586 -6.024 6.801 760 HE ARG 95 HE ARG 95 6.011 -7.055 8.606 761 1HH1 ARG 95 HH1 ARG 95 8.212 -8.776 6.501 762 2HH1 ARG 95 HH1 ARG 95 8.479 -10.057 7.634 763 1HH2 ARG 95 HH2 ARG 95 6.368 -8.736 10.084 764 2HH2 ARG 95 HH2 ARG 95 7.435 -10.034 9.666 765 H ILE 96 HN ILE 96 4.321 -3.620 6.896 766 HA ILE 96 HA ILE 96 5.822 -1.122 6.491 767 HB ILE 96 HB ILE 96 3.459 -1.131 8.321 768 1HG1 ILE 96 HG1 ILE 96 3.310 -0.703 5.328 769 2HG1 ILE 96 HG1 ILE 96 2.549 -2.011 6.229 770 1HG2 ILE 96 HG2 ILE 96 4.661 1.021 6.587 771 2HG2 ILE 96 HG2 ILE 96 5.045 0.755 8.288 772 3HG2 ILE 96 HG2 ILE 96 3.416 1.230 7.816 773 1HD1 ILE 96 HD1 ILE 96 1.698 0.757 5.840 774 2HD1 ILE 96 HD1 ILE 96 1.539 0.165 7.493 775 3HD1 ILE 96 HD1 ILE 96 0.750 -0.693 6.170 776 H GLN 97 HN GLN 97 6.604 -0.168 8.516 777 HA GLN 97 HA GLN 97 6.864 -2.129 10.696 778 1HB GLN 97 HB2 GLN 97 9.051 -0.600 9.330 779 2HB GLN 97 HB1 GLN 97 9.235 -1.126 10.994 780 1HG GLN 97 HG2 GLN 97 9.001 -3.428 10.347 781 2HG GLN 97 HG1 GLN 97 8.645 -2.962 8.684 782 1HE2 GLN 97 HE2 GLN 97 10.341 -3.900 7.672 783 2HE2 GLN 97 HE2 GLN 97 11.993 -3.483 7.948 784 H ASP 98 HN ASP 98 7.099 -1.294 12.782 785 HA ASP 98 HA ASP 98 6.447 1.580 13.062 786 1HB ASP 98 HB2 ASP 98 4.557 0.097 13.626 787 2HB ASP 98 HB1 ASP 98 5.580 -0.731 14.791 788 H GLY 99 HN GLY 99 8.542 2.312 13.499 789 1HA GLY 99 HA2 GLY 99 10.429 2.738 14.731 790 2HA GLY 99 HA1 GLY 99 9.450 2.289 16.115 791 H THR 100 HN THR 100 9.747 -0.251 13.866 792 HA THR 100 HA THR 100 11.046 -2.111 13.713 793 HB THR 100 HB THR 100 12.831 -0.826 15.802 794 HG1 THR 100 HG1 THR 100 13.156 0.406 14.084 795 1HG2 THR 100 HG2 THR 100 13.353 -3.107 15.837 796 2HG2 THR 100 HG2 THR 100 14.547 -2.370 14.769 797 3HG2 THR 100 HG2 THR 100 13.183 -3.258 14.089 798 H GLY 101 HN GLY 101 8.778 -2.297 14.948 799 1HA GLY 101 HA2 GLY 101 9.168 -4.372 16.865 800 2HA GLY 101 HA1 GLY 101 8.597 -2.903 17.639 801 H ARG 102 HN ARG 102 6.991 -2.183 15.199 802 HA ARG 102 HA ARG 102 4.907 -4.254 15.398 803 1HB ARG 102 HB2 ARG 102 4.579 -2.026 16.754 804 2HB ARG 102 HB1 ARG 102 4.139 -1.372 15.188 805 1HG ARG 102 HG2 ARG 102 2.827 -3.868 16.113 806 2HG ARG 102 HG1 ARG 102 2.326 -2.313 16.788 807 1HD ARG 102 HD2 ARG 102 1.240 -1.751 14.927 808 2HD ARG 102 HD1 ARG 102 2.605 -2.203 13.906 809 HE ARG 102 HE ARG 102 1.262 -4.509 14.845 810 1HH1 ARG 102 HH1 ARG 102 0.976 -1.904 12.543 811 2HH1 ARG 102 HH1 ARG 102 -0.040 -2.800 11.465 812 1HH2 ARG 102 HH2 ARG 102 -0.073 -5.693 13.433 813 2HH2 ARG 102 HH2 ARG 102 -0.639 -4.955 11.972 814 H SER 103 HN SER 103 5.664 -5.043 13.390 815 HA SER 103 HA SER 103 5.109 -3.315 11.072 816 1HB SER 103 HB2 SER 103 6.517 -5.595 10.204 817 2HB SER 103 HB1 SER 103 7.143 -3.958 10.367 818 HG SER 103 HG SER 103 7.122 -5.952 12.388 819 H ALA 104 HN ALA 104 3.417 -3.810 9.802 820 HA ALA 104 HA ALA 104 2.255 -6.509 10.054 821 1HB ALA 104 HB1 ALA 104 0.680 -4.174 9.064 822 2HB ALA 104 HB2 ALA 104 0.960 -4.387 10.790 823 3HB ALA 104 HB3 ALA 104 0.128 -5.641 9.873 824 H PHE 105 HN PHE 105 1.783 -7.684 8.264 825 HA PHE 105 HA PHE 105 2.594 -6.536 5.676 826 1HB PHE 105 HB2 PHE 105 3.749 -8.672 6.871 827 2HB PHE 105 HB1 PHE 105 2.482 -9.484 5.958 828 HD1 PHE 105 HD1 PHE 105 2.377 -7.718 3.569 829 HD2 PHE 105 HD2 PHE 105 5.687 -9.305 5.717 830 HE1 PHE 105 HE1 PHE 105 3.750 -7.569 1.546 831 HE2 PHE 105 HE2 PHE 105 7.070 -9.165 3.685 832 HZ PHE 105 HZ PHE 105 6.101 -8.296 1.596 833 H ILE 106 HN ILE 106 1.142 -6.454 4.082 834 HA ILE 106 HA ILE 106 -1.249 -8.157 4.191 835 HB ILE 106 HB ILE 106 -1.477 -5.240 3.486 836 1HG1 ILE 106 HG1 ILE 106 -0.610 -5.558 5.860 837 2HG1 ILE 106 HG1 ILE 106 -2.109 -4.653 5.697 838 1HG2 ILE 106 HG2 ILE 106 -3.523 -5.871 2.913 839 2HG2 ILE 106 HG2 ILE 106 -3.843 -6.208 4.615 840 3HG2 ILE 106 HG2 ILE 106 -3.263 -7.492 3.558 841 1HD1 ILE 106 HD1 ILE 106 -2.827 -7.355 6.022 842 2HD1 ILE 106 HD1 ILE 106 -3.048 -6.020 7.152 843 3HD1 ILE 106 HD1 ILE 106 -1.583 -6.999 7.220 844 H GLY 107 HN GLY 107 -2.453 -8.060 2.043 845 1HA GLY 107 HA2 GLY 107 -0.472 -7.867 -0.130 846 2HA GLY 107 HA1 GLY 107 -1.890 -8.904 -0.146 847 H ILE 108 HN ILE 108 -0.817 -6.620 -1.914 848 HA ILE 108 HA ILE 108 -3.427 -5.312 -2.207 849 HB ILE 108 HB ILE 108 -2.326 -3.140 -2.671 850 1HG1 ILE 108 HG1 ILE 108 0.142 -3.969 -1.259 851 2HG1 ILE 108 HG1 ILE 108 -0.019 -4.525 -2.922 852 1HG2 ILE 108 HG2 ILE 108 -1.913 -4.344 0.056 853 2HG2 ILE 108 HG2 ILE 108 -3.302 -3.423 -0.521 854 3HG2 ILE 108 HG2 ILE 108 -1.750 -2.622 -0.290 855 1HD1 ILE 108 HD1 ILE 108 1.189 -2.468 -2.915 856 2HD1 ILE 108 HD1 ILE 108 -0.063 -1.684 -1.944 857 3HD1 ILE 108 HD1 ILE 108 -0.410 -2.172 -3.600 858 H GLY 109 HN GLY 109 -4.063 -4.982 -4.328 859 1HA GLY 109 HA2 GLY 109 -2.295 -4.830 -6.518 860 2HA GLY 109 HA1 GLY 109 -2.839 -6.484 -6.353 861 H PHE 110 HN PHE 110 -3.816 -6.349 -8.398 862 HA PHE 110 HA PHE 110 -6.542 -5.525 -8.309 863 1HB PHE 110 HB2 PHE 110 -5.463 -3.364 -8.878 864 2HB PHE 110 HB1 PHE 110 -4.778 -4.113 -10.316 865 HD1 PHE 110 HD1 PHE 110 -5.853 -3.615 -12.282 866 HD2 PHE 110 HD2 PHE 110 -8.144 -3.844 -8.706 867 HE1 PHE 110 HE1 PHE 110 -7.880 -3.029 -13.546 868 HE2 PHE 110 HE2 PHE 110 -10.177 -3.266 -9.960 869 HZ PHE 110 HZ PHE 110 -10.043 -2.854 -12.386 870 H THR 111 HN THR 111 -7.706 -6.064 -10.296 871 HA THR 111 HA THR 111 -7.100 -8.661 -11.178 872 HB THR 111 HB THR 111 -8.961 -8.304 -12.778 873 HG1 THR 111 HG1 THR 111 -9.969 -6.269 -12.791 874 1HG2 THR 111 HG2 THR 111 -10.065 -6.950 -10.429 875 2HG2 THR 111 HG2 THR 111 -9.188 -8.441 -10.084 876 3HG2 THR 111 HG2 THR 111 -10.547 -8.458 -11.208 877 H ASP 112 HN ASP 112 -7.509 -5.916 -13.394 878 HA ASP 112 HA ASP 112 -5.595 -7.095 -15.221 879 1HB ASP 112 HB2 ASP 112 -7.091 -4.486 -15.525 880 2HB ASP 112 HB1 ASP 112 -6.311 -5.421 -16.796 881 H ARG 113 HN ARG 113 -4.372 -5.054 -16.439 882 HA ARG 113 HA ARG 113 -2.405 -4.242 -14.479 883 1HB ARG 113 HB2 ARG 113 -2.516 -4.578 -17.371 884 2HB ARG 113 HB1 ARG 113 -1.688 -3.099 -16.908 885 1HG ARG 113 HG2 ARG 113 -0.587 -4.925 -15.200 886 2HG ARG 113 HG1 ARG 113 -0.847 -5.883 -16.659 887 1HD ARG 113 HD2 ARG 113 0.291 -4.035 -17.937 888 2HD ARG 113 HD1 ARG 113 0.725 -3.332 -16.384 889 HE ARG 113 HE ARG 113 1.592 -6.016 -17.250 890 1HH1 ARG 113 HH1 ARG 113 2.233 -2.963 -15.661 891 2HH1 ARG 113 HH1 ARG 113 3.852 -3.393 -15.233 892 1HH2 ARG 113 HH2 ARG 113 3.723 -6.566 -16.684 893 2HH2 ARG 113 HH2 ARG 113 4.698 -5.431 -15.812 894 H GLY 114 HN GLY 114 -5.290 -2.959 -15.245 895 1HA GLY 114 HA2 GLY 114 -4.789 -0.270 -15.864 896 2HA GLY 114 HA1 GLY 114 -6.220 -0.869 -15.038 897 H ASP 115 HN ASP 115 -5.876 -1.385 -12.666 898 HA ASP 115 HA ASP 115 -5.229 0.869 -11.233 899 1HB ASP 115 HB2 ASP 115 -5.512 -1.991 -10.552 900 2HB ASP 115 HB1 ASP 115 -4.732 -0.979 -9.355 901 H ALA 116 HN ALA 116 -3.160 -1.935 -11.916 902 HA ALA 116 HA ALA 116 -0.966 -1.487 -10.419 903 1HB ALA 116 HB1 ALA 116 -0.301 -1.987 -13.240 904 2HB ALA 116 HB2 ALA 116 -1.482 -3.087 -12.526 905 3HB ALA 116 HB3 ALA 116 0.112 -2.907 -11.793 906 H PHE 117 HN PHE 117 -1.331 -0.051 -13.670 907 HA PHE 117 HA PHE 117 0.855 1.648 -13.559 908 1HB PHE 117 HB2 PHE 117 -0.330 1.247 -15.628 909 2HB PHE 117 HB1 PHE 117 -1.789 1.992 -14.983 910 HD1 PHE 117 HD1 PHE 117 -1.851 4.430 -14.581 911 HD2 PHE 117 HD2 PHE 117 1.408 2.548 -16.566 912 HE1 PHE 117 HE1 PHE 117 -1.135 6.611 -15.463 913 HE2 PHE 117 HE2 PHE 117 2.131 4.726 -17.452 914 HZ PHE 117 HZ PHE 117 0.860 6.762 -16.900 915 H ASP 118 HN ASP 118 -2.550 2.569 -12.956 916 HA ASP 118 HA ASP 118 -2.086 5.148 -12.055 917 1HB ASP 118 HB2 ASP 118 -4.290 3.268 -12.038 918 2HB ASP 118 HB1 ASP 118 -4.286 4.252 -10.579 919 H PHE 119 HN PHE 119 -2.396 2.196 -10.077 920 HA PHE 119 HA PHE 119 -1.957 3.442 -7.606 921 1HB PHE 119 HB2 PHE 119 -2.504 1.381 -6.927 922 2HB PHE 119 HB1 PHE 119 -2.293 0.763 -8.558 923 HD1 PHE 119 HD1 PHE 119 -0.247 -0.335 -9.210 924 HD2 PHE 119 HD2 PHE 119 -0.756 1.168 -5.269 925 HE1 PHE 119 HE1 PHE 119 1.699 -1.639 -8.474 926 HE2 PHE 119 HE2 PHE 119 1.192 -0.133 -4.517 927 HZ PHE 119 HZ PHE 119 2.424 -1.539 -6.121 928 H ASN 120 HN ASN 120 0.298 1.871 -9.837 929 HA ASN 120 HA ASN 120 2.618 2.131 -8.311 930 1HB ASN 120 HB2 ASN 120 2.205 0.858 -10.533 931 2HB ASN 120 HB1 ASN 120 2.652 2.376 -11.305 932 1HD2 ASN 120 HD2 ASN 120 4.552 1.788 -12.176 933 2HD2 ASN 120 HD2 ASN 120 5.930 1.284 -11.265 934 H VAL 121 HN VAL 121 1.573 4.235 -11.009 935 HA VAL 121 HA VAL 121 3.521 6.170 -10.794 936 HB VAL 121 HB VAL 121 1.976 7.749 -11.845 937 1HG1 VAL 121 HG1 VAL 121 1.123 5.525 -13.433 938 2HG1 VAL 121 HG1 VAL 121 2.768 5.248 -12.861 939 3HG1 VAL 121 HG1 VAL 121 2.384 6.713 -13.762 940 1HG2 VAL 121 HG2 VAL 121 -0.080 5.710 -11.074 941 2HG2 VAL 121 HG2 VAL 121 -0.355 6.848 -12.390 942 3HG2 VAL 121 HG2 VAL 121 -0.071 7.443 -10.754 943 H SER 122 HN SER 122 0.542 5.868 -8.931 944 HA SER 122 HA SER 122 0.756 8.368 -7.604 945 1HB SER 122 HB2 SER 122 -1.000 6.049 -7.529 946 2HB SER 122 HB1 SER 122 -0.701 6.691 -5.914 947 HG SER 122 HG SER 122 -1.700 8.506 -6.431 948 H LEU 123 HN LEU 123 1.497 5.047 -6.562 949 HA LEU 123 HA LEU 123 2.456 5.575 -4.026 950 1HB LEU 123 HB2 LEU 123 2.376 3.384 -5.781 951 2HB LEU 123 HB1 LEU 123 4.060 3.552 -5.332 952 HG LEU 123 HG LEU 123 2.662 1.961 -3.942 953 1HD1 LEU 123 HD1 LEU 123 4.222 2.173 -2.385 954 2HD1 LEU 123 HD1 LEU 123 3.646 3.771 -1.914 955 3HD1 LEU 123 HD1 LEU 123 4.778 3.603 -3.255 956 1HD2 LEU 123 HD2 LEU 123 1.100 4.355 -3.575 957 2HD2 LEU 123 HD2 LEU 123 1.657 3.723 -2.025 958 3HD2 LEU 123 HD2 LEU 123 0.738 2.690 -3.118 959 H GLN 124 HN GLN 124 4.265 5.543 -7.086 960 HA GLN 124 HA GLN 124 6.767 6.218 -5.945 961 1HB GLN 124 HB2 GLN 124 7.519 6.643 -8.206 962 2HB GLN 124 HB1 GLN 124 6.527 5.192 -8.183 963 1HG GLN 124 HG2 GLN 124 4.669 6.377 -9.133 964 2HG GLN 124 HG1 GLN 124 5.526 7.911 -8.998 965 1HE2 GLN 124 HE2 GLN 124 7.494 8.150 -10.254 966 2HE2 GLN 124 HE2 GLN 124 7.604 7.367 -11.790 967 H ASP 125 HN ASP 125 4.275 8.200 -7.522 968 HA ASP 125 HA ASP 125 5.574 10.640 -7.520 969 1HB ASP 125 HB2 ASP 125 2.720 9.802 -7.441 970 2HB ASP 125 HB1 ASP 125 3.077 11.486 -7.075 971 H HIS 126 HN HIS 126 3.542 9.246 -4.974 972 HA HIS 126 HA HIS 126 3.973 11.419 -3.174 973 1HB HIS 126 HB2 HIS 126 2.921 8.639 -2.622 974 2HB HIS 126 HB1 HIS 126 2.822 10.019 -1.541 975 HD2 HIS 126 HD2 HIS 126 1.210 12.212 -2.803 976 HE1 HIS 126 HE1 HIS 126 -1.195 9.345 -4.801 977 HE2 HIS 126 HE2 HIS 126 -0.979 11.756 -4.107 978 H PHE 127 HN PHE 127 5.250 8.104 -3.428 979 HA PHE 127 HA PHE 127 6.798 8.116 -1.106 980 1HB PHE 127 HB2 PHE 127 6.274 6.241 -2.935 981 2HB PHE 127 HB1 PHE 127 7.873 6.697 -3.496 982 HD1 PHE 127 HD1 PHE 127 5.944 5.115 -0.847 983 HD2 PHE 127 HD2 PHE 127 9.830 6.274 -2.130 984 HE1 PHE 127 HE1 PHE 127 6.938 3.643 0.854 985 HE2 PHE 127 HE2 PHE 127 10.834 4.806 -0.431 986 HZ PHE 127 HZ PHE 127 9.387 3.487 1.064 987 H LYS 128 HN LYS 128 8.338 8.231 -4.320 988 HA LYS 128 HA LYS 128 10.430 9.906 -3.196 989 1HB LYS 128 HB2 LYS 128 10.214 8.701 -5.961 990 2HB LYS 128 HB1 LYS 128 11.637 9.462 -5.265 991 1HG LYS 128 HG2 LYS 128 10.718 7.372 -3.537 992 2HG LYS 128 HG1 LYS 128 10.914 6.756 -5.178 993 1HD LYS 128 HD2 LYS 128 13.192 7.891 -5.162 994 2HD LYS 128 HD1 LYS 128 12.966 8.078 -3.422 995 1HE LYS 128 HE2 LYS 128 13.987 6.071 -3.341 996 2HE LYS 128 HE1 LYS 128 12.371 5.466 -3.701 997 1HZ LYS 128 HZ1 LYS 128 14.441 4.751 -5.116 998 2HZ LYS 128 HZ2 LYS 128 14.107 6.186 -5.946 999 3HZ LYS 128 HZ3 LYS 128 12.928 4.979 -5.839 1000 H TRP 129 HN TRP 129 11.279 11.712 -4.587 1001 HA TRP 129 HA TRP 129 9.037 13.414 -5.322 1002 1HB TRP 129 HB2 TRP 129 11.985 14.034 -5.042 1003 2HB TRP 129 HB1 TRP 129 10.727 15.221 -5.372 1004 HD1 TRP 129 HD1 TRP 129 8.719 13.662 -3.150 1005 HE1 TRP 129 HE1 TRP 129 9.106 14.267 -0.678 1006 HE3 TRP 129 HE3 TRP 129 13.447 15.574 -3.512 1007 HZ2 TRP 129 HZ2 TRP 129 11.146 15.405 0.908 1008 HZ3 TRP 129 HZ3 TRP 129 14.545 16.399 -1.471 1009 HH2 TRP 129 HH2 TRP 129 13.417 16.316 0.692 1010 H VAL 130 HN VAL 130 8.512 13.963 -7.348 1011 HA VAL 130 HA VAL 130 10.452 13.733 -9.501 1012 HB VAL 130 HB VAL 130 7.828 12.270 -9.751 1013 1HG1 VAL 130 HG1 VAL 130 8.398 12.490 -11.910 1014 2HG1 VAL 130 HG1 VAL 130 9.559 11.209 -11.566 1015 3HG1 VAL 130 HG1 VAL 130 10.071 12.896 -11.529 1016 1HG2 VAL 130 HG2 VAL 130 9.197 11.169 -8.044 1017 2HG2 VAL 130 HG2 VAL 130 10.548 11.096 -9.175 1018 3HG2 VAL 130 HG2 VAL 130 9.073 10.187 -9.504 1019 H LYS 131 HN LYS 131 6.965 14.162 -8.875 1020 HA LYS 131 HA LYS 131 6.807 16.165 -10.971 1021 1HB LYS 131 HB2 LYS 131 4.913 14.496 -9.478 1022 2HB LYS 131 HB1 LYS 131 4.340 16.136 -9.751 1023 1HG LYS 131 HG2 LYS 131 5.021 15.727 -12.203 1024 2HG LYS 131 HG1 LYS 131 5.023 14.022 -11.752 1025 1HD LYS 131 HD2 LYS 131 2.766 13.941 -11.520 1026 2HD LYS 131 HD1 LYS 131 2.660 15.604 -10.939 1027 1HE LYS 131 HE2 LYS 131 3.456 15.154 -13.768 1028 2HE LYS 131 HE1 LYS 131 1.768 14.892 -13.331 1029 1HZ LYS 131 HZ1 LYS 131 1.562 17.115 -12.606 1030 2HZ LYS 131 HZ2 LYS 131 2.342 17.188 -14.105 1031 3HZ LYS 131 HZ3 LYS 131 3.231 17.386 -12.680 1032 H GLN 132 HN GLN 132 8.502 17.176 -9.218 1033 HA GLN 132 HA GLN 132 7.157 18.752 -7.204 1034 1HB GLN 132 HB2 GLN 132 10.020 18.556 -8.123 1035 2HB GLN 132 HB1 GLN 132 9.497 19.754 -6.947 1036 1HG GLN 132 HG2 GLN 132 8.557 17.138 -6.212 1037 2HG GLN 132 HG1 GLN 132 10.301 17.127 -6.464 1038 1HE2 GLN 132 HE2 GLN 132 10.861 16.910 -4.342 1039 2HE2 GLN 132 HE2 GLN 132 10.595 18.135 -3.154 1040 H GLU 133 HN GLU 133 5.716 19.921 -8.597 1041 HA GLU 133 HA GLU 133 6.949 22.343 -9.651 1042 1HB GLU 133 HB2 GLU 133 6.042 20.259 -11.344 1043 2HB GLU 133 HB1 GLU 133 4.872 21.565 -11.474 1044 1HG GLU 133 HG2 GLU 133 6.789 23.113 -11.919 1045 2HG GLU 133 HG1 GLU 133 7.827 21.691 -12.010 Start of MODEL 7 1 1H MET 1 HT1 MET 1 5.419 30.057 11.774 2 2H MET 1 HT2 MET 1 4.279 31.238 12.274 3 3H MET 1 HT3 MET 1 5.648 30.899 13.249 4 HA MET 1 HA MET 1 5.539 32.949 11.683 5 1HB MET 1 HB2 MET 1 7.514 31.409 12.999 6 2HB MET 1 HB1 MET 1 8.181 31.828 11.429 7 1HG MET 1 HG2 MET 1 7.052 34.188 12.321 8 2HG MET 1 HG1 MET 1 7.756 33.475 13.771 9 1HE MET 1 HE1 MET 1 8.558 35.134 10.236 10 2HE MET 1 HE2 MET 1 8.672 33.389 10.013 11 3HE MET 1 HE3 MET 1 10.123 34.385 9.921 12 H ALA 2 HN ALA 2 4.230 31.120 10.022 13 HA ALA 2 HA ALA 2 5.236 31.793 7.506 14 1HB ALA 2 HB1 ALA 2 6.073 29.098 8.513 15 2HB ALA 2 HB2 ALA 2 7.034 30.326 7.691 16 3HB ALA 2 HB3 ALA 2 5.839 29.393 6.791 17 H ALA 3 HN ALA 3 3.283 32.101 6.658 18 HA ALA 3 HA ALA 3 1.078 30.323 7.218 19 1HB ALA 3 HB1 ALA 3 0.211 32.025 5.241 20 2HB ALA 3 HB2 ALA 3 1.426 32.985 6.086 21 3HB ALA 3 HB3 ALA 3 0.067 32.300 6.977 22 H GLU 4 HN GLU 4 1.364 28.360 6.274 23 HA GLU 4 HA GLU 4 1.127 28.246 3.386 24 1HB GLU 4 HB2 GLU 4 3.643 28.174 4.264 25 2HB GLU 4 HB1 GLU 4 3.243 26.484 4.528 26 1HG GLU 4 HG2 GLU 4 2.379 26.659 2.044 27 2HG GLU 4 HG1 GLU 4 3.517 27.999 1.990 28 H LEU 5 HN LEU 5 1.012 25.801 2.724 29 HA LEU 5 HA LEU 5 -0.191 24.161 4.814 30 1HB LEU 5 HB2 LEU 5 -1.780 25.664 3.140 31 2HB LEU 5 HB1 LEU 5 -1.736 24.112 2.326 32 HG LEU 5 HG LEU 5 -2.538 23.023 4.393 33 1HD1 LEU 5 HD1 LEU 5 -2.339 24.075 6.334 34 2HD1 LEU 5 HD1 LEU 5 -3.597 25.196 5.816 35 3HD1 LEU 5 HD1 LEU 5 -1.902 25.580 5.525 36 1HD2 LEU 5 HD2 LEU 5 -4.203 25.272 3.283 37 2HD2 LEU 5 HD2 LEU 5 -4.836 24.002 4.332 38 3HD2 LEU 5 HD2 LEU 5 -4.172 23.591 2.751 39 H GLU 6 HN GLU 6 2.096 23.365 4.164 40 HA GLU 6 HA GLU 6 1.703 21.060 2.452 41 1HB GLU 6 HB2 GLU 6 2.512 22.891 0.941 42 2HB GLU 6 HB1 GLU 6 3.982 22.967 1.902 43 1HG GLU 6 HG2 GLU 6 3.941 20.344 1.328 44 2HG GLU 6 HG1 GLU 6 3.124 20.987 -0.097 45 H TYR 7 HN TYR 7 1.859 20.455 4.855 46 HA TYR 7 HA TYR 7 4.510 20.461 5.984 47 1HB TYR 7 HB2 TYR 7 1.867 20.063 6.951 48 2HB TYR 7 HB1 TYR 7 2.792 18.614 7.332 49 HD1 TYR 7 HD1 TYR 7 4.049 18.578 9.273 50 HD2 TYR 7 HD2 TYR 7 3.062 22.333 7.534 51 HE1 TYR 7 HE1 TYR 7 5.070 19.729 11.192 52 HE2 TYR 7 HE2 TYR 7 4.080 23.494 9.447 53 HH TYR 7 HH TYR 7 6.102 21.998 11.639 54 H GLU 8 HN GLU 8 5.075 18.138 7.035 55 HA GLU 8 HA GLU 8 5.783 16.518 4.778 56 1HB GLU 8 HB2 GLU 8 6.908 16.946 7.233 57 2HB GLU 8 HB1 GLU 8 6.186 15.357 7.450 58 1HG GLU 8 HG2 GLU 8 7.961 14.486 6.463 59 2HG GLU 8 HG1 GLU 8 7.450 15.260 4.965 60 H SER 9 HN SER 9 4.109 15.494 3.859 61 HA SER 9 HA SER 9 2.971 13.262 5.252 62 1HB SER 9 HB2 SER 9 1.555 15.505 5.667 63 2HB SER 9 HB1 SER 9 0.862 15.027 4.118 64 HG SER 9 HG SER 9 -0.104 13.401 5.053 65 H VAL 10 HN VAL 10 2.953 11.668 3.836 66 HA VAL 10 HA VAL 10 3.562 11.873 1.156 67 HB VAL 10 HB VAL 10 2.702 9.585 0.914 68 1HG1 VAL 10 HG1 VAL 10 4.308 8.578 2.221 69 2HG1 VAL 10 HG1 VAL 10 4.028 9.659 3.585 70 3HG1 VAL 10 HG1 VAL 10 4.878 10.245 2.154 71 1HG2 VAL 10 HG2 VAL 10 0.738 9.380 2.090 72 2HG2 VAL 10 HG2 VAL 10 1.359 10.240 3.499 73 3HG2 VAL 10 HG2 VAL 10 1.862 8.587 3.184 74 H LEU 11 HN LEU 11 0.328 11.841 2.656 75 HA LEU 11 HA LEU 11 -1.730 12.306 1.884 76 1HB LEU 11 HB2 LEU 11 -1.978 14.178 0.565 77 2HB LEU 11 HB1 LEU 11 -0.388 14.404 1.258 78 HG LEU 11 HG LEU 11 -0.048 13.037 -1.215 79 1HD1 LEU 11 HD1 LEU 11 -2.345 14.721 -1.263 80 2HD1 LEU 11 HD1 LEU 11 -1.611 13.802 -2.574 81 3HD1 LEU 11 HD1 LEU 11 -1.074 15.449 -2.245 82 1HD2 LEU 11 HD2 LEU 11 1.257 15.015 -1.774 83 2HD2 LEU 11 HD2 LEU 11 1.571 14.513 -0.113 84 3HD2 LEU 11 HD2 LEU 11 0.522 15.893 -0.432 85 H CYS 12 HN CYS 12 -0.539 9.887 0.968 86 HA CYS 12 HA CYS 12 -1.279 9.547 -1.801 87 1HB CYS 12 HB2 CYS 12 -0.556 7.429 0.226 88 2HB CYS 12 HB1 CYS 12 -0.610 7.234 -1.520 89 HG CYS 12 HG CYS 12 1.853 7.595 -0.903 90 H VAL 13 HN VAL 13 -3.057 8.594 -2.611 91 HA VAL 13 HA VAL 13 -5.038 7.344 -0.872 92 HB VAL 13 HB VAL 13 -6.882 8.748 -1.682 93 1HG1 VAL 13 HG1 VAL 13 -5.012 9.451 0.239 94 2HG1 VAL 13 HG1 VAL 13 -6.633 10.110 0.064 95 3HG1 VAL 13 HG1 VAL 13 -5.258 10.931 -0.685 96 1HG2 VAL 13 HG2 VAL 13 -4.687 10.277 -3.068 97 2HG2 VAL 13 HG2 VAL 13 -6.310 10.921 -2.817 98 3HG2 VAL 13 HG2 VAL 13 -6.075 9.477 -3.803 99 H LYS 14 HN LYS 14 -6.774 6.284 -2.114 100 HA LYS 14 HA LYS 14 -6.781 6.178 -4.919 101 1HB LYS 14 HB2 LYS 14 -4.592 4.962 -4.312 102 2HB LYS 14 HB1 LYS 14 -5.635 3.658 -3.756 103 1HG LYS 14 HG2 LYS 14 -5.192 3.018 -5.918 104 2HG LYS 14 HG1 LYS 14 -6.721 3.880 -6.107 105 1HD LYS 14 HD2 LYS 14 -5.434 4.755 -7.827 106 2HD LYS 14 HD1 LYS 14 -5.219 5.947 -6.543 107 1HE LYS 14 HE2 LYS 14 -3.030 5.522 -6.369 108 2HE LYS 14 HE1 LYS 14 -3.273 3.777 -6.437 109 1HZ LYS 14 HZ1 LYS 14 -2.223 4.040 -8.401 110 2HZ LYS 14 HZ2 LYS 14 -2.678 5.652 -8.579 111 3HZ LYS 14 HZ3 LYS 14 -3.772 4.415 -8.958 112 HA PRO 15 HA PRO 15 -10.601 4.605 -3.091 113 1HB PRO 15 HB2 PRO 15 -12.193 5.354 -5.156 114 2HB PRO 15 HB1 PRO 15 -11.673 6.465 -3.889 115 1HG PRO 15 HG2 PRO 15 -10.594 6.094 -6.648 116 2HG PRO 15 HG1 PRO 15 -10.879 7.596 -5.750 117 1HD PRO 15 HD2 PRO 15 -8.420 6.461 -6.001 118 2HD PRO 15 HD1 PRO 15 -8.903 7.424 -4.592 119 H ASP 16 HN ASP 16 -9.052 3.863 -6.090 120 HA ASP 16 HA ASP 16 -10.705 1.447 -6.380 121 1HB ASP 16 HB2 ASP 16 -10.073 3.370 -8.268 122 2HB ASP 16 HB1 ASP 16 -8.932 2.077 -8.620 123 H VAL 17 HN VAL 17 -9.615 0.064 -4.999 124 HA VAL 17 HA VAL 17 -7.169 -1.054 -6.026 125 HB VAL 17 HB VAL 17 -6.302 0.808 -4.649 126 1HG1 VAL 17 HG1 VAL 17 -7.796 1.191 -2.936 127 2HG1 VAL 17 HG1 VAL 17 -6.491 0.350 -2.098 128 3HG1 VAL 17 HG1 VAL 17 -7.956 -0.522 -2.547 129 1HG2 VAL 17 HG2 VAL 17 -4.593 -0.427 -3.645 130 2HG2 VAL 17 HG2 VAL 17 -5.182 -1.487 -4.924 131 3HG2 VAL 17 HG2 VAL 17 -5.666 -1.770 -3.251 132 H SER 18 HN SER 18 -6.627 -3.085 -5.082 133 HA SER 18 HA SER 18 -8.775 -4.234 -3.423 134 1HB SER 18 HB2 SER 18 -8.473 -4.915 -5.982 135 2HB SER 18 HB1 SER 18 -7.254 -5.988 -5.294 136 HG SER 18 HG SER 18 -8.782 -7.179 -4.476 137 H VAL 19 HN VAL 19 -8.153 -5.242 -1.609 138 HA VAL 19 HA VAL 19 -5.269 -5.675 -1.229 139 HB VAL 19 HB VAL 19 -7.457 -5.145 0.768 140 1HG1 VAL 19 HG1 VAL 19 -4.679 -6.203 1.222 141 2HG1 VAL 19 HG1 VAL 19 -6.210 -6.901 1.757 142 3HG1 VAL 19 HG1 VAL 19 -5.617 -5.404 2.485 143 1HG2 VAL 19 HG2 VAL 19 -5.488 -3.543 -0.525 144 2HG2 VAL 19 HG2 VAL 19 -5.120 -3.608 1.199 145 3HG2 VAL 19 HG2 VAL 19 -6.706 -3.059 0.654 146 H TYR 20 HN TYR 20 -4.501 -7.575 -0.520 147 HA TYR 20 HA TYR 20 -6.379 -9.833 -0.477 148 1HB TYR 20 HB2 TYR 20 -3.536 -9.611 -1.463 149 2HB TYR 20 HB1 TYR 20 -4.329 -11.152 -1.203 150 HD1 TYR 20 HD1 TYR 20 -4.807 -12.113 -3.247 151 HD2 TYR 20 HD2 TYR 20 -5.491 -7.950 -2.751 152 HE1 TYR 20 HE1 TYR 20 -5.774 -12.010 -5.504 153 HE2 TYR 20 HE2 TYR 20 -6.466 -7.832 -4.998 154 HH TYR 20 HH TYR 20 -6.039 -9.589 -7.262 155 H ARG 21 HN ARG 21 -5.712 -11.676 0.848 156 HA ARG 21 HA ARG 21 -4.133 -10.885 3.208 157 1HB ARG 21 HB2 ARG 21 -6.611 -10.897 3.637 158 2HB ARG 21 HB1 ARG 21 -6.613 -12.614 3.281 159 1HG ARG 21 HG2 ARG 21 -4.712 -12.590 5.145 160 2HG ARG 21 HG1 ARG 21 -5.636 -11.177 5.664 161 1HD ARG 21 HD2 ARG 21 -6.725 -13.955 5.204 162 2HD ARG 21 HD1 ARG 21 -6.436 -13.200 6.771 163 HE ARG 21 HE ARG 21 -8.122 -11.464 5.610 164 1HH1 ARG 21 HH1 ARG 21 -8.249 -14.937 5.973 165 2HH1 ARG 21 HH1 ARG 21 -9.979 -14.992 6.012 166 1HH2 ARG 21 HH2 ARG 21 -10.397 -11.541 5.665 167 2HH2 ARG 21 HH2 ARG 21 -11.197 -13.067 5.837 168 H ILE 22 HN ILE 22 -2.459 -12.165 3.570 169 HA ILE 22 HA ILE 22 -2.509 -14.899 2.469 170 HB ILE 22 HB ILE 22 0.000 -13.346 3.069 171 1HG1 ILE 22 HG1 ILE 22 -0.366 -13.426 0.284 172 2HG1 ILE 22 HG1 ILE 22 -1.906 -12.884 0.942 173 1HG2 ILE 22 HG2 ILE 22 0.792 -14.955 1.200 174 2HG2 ILE 22 HG2 ILE 22 -0.668 -15.858 1.603 175 3HG2 ILE 22 HG2 ILE 22 0.559 -15.576 2.835 176 1HD1 ILE 22 HD1 ILE 22 -0.752 -10.914 0.574 177 2HD1 ILE 22 HD1 ILE 22 0.782 -11.595 1.113 178 3HD1 ILE 22 HD1 ILE 22 -0.475 -11.214 2.290 179 HA PRO 23 HA PRO 23 -2.744 -15.191 7.154 180 1HB PRO 23 HB2 PRO 23 -3.459 -17.920 6.662 181 2HB PRO 23 HB1 PRO 23 -4.481 -16.620 7.274 182 1HG PRO 23 HG2 PRO 23 -4.242 -17.692 4.537 183 2HG PRO 23 HG1 PRO 23 -5.593 -16.837 5.300 184 1HD PRO 23 HD2 PRO 23 -4.039 -15.689 3.419 185 2HD PRO 23 HD1 PRO 23 -4.742 -14.758 4.759 186 HA PRO 24 HA PRO 24 1.416 -16.945 6.966 187 1HB PRO 24 HB2 PRO 24 2.020 -16.485 9.581 188 2HB PRO 24 HB1 PRO 24 2.108 -15.236 8.335 189 1HG PRO 24 HG2 PRO 24 -0.059 -15.775 10.327 190 2HG PRO 24 HG1 PRO 24 0.636 -14.223 9.823 191 1HD PRO 24 HD2 PRO 24 -1.724 -15.122 8.867 192 2HD PRO 24 HD1 PRO 24 -0.612 -14.150 7.882 193 H ARG 25 HN ARG 25 2.528 -18.716 8.014 194 HA ARG 25 HA ARG 25 0.774 -20.502 9.557 195 1HB ARG 25 HB2 ARG 25 0.814 -21.229 7.203 196 2HB ARG 25 HB1 ARG 25 2.567 -21.332 7.268 197 1HG ARG 25 HG2 ARG 25 1.487 -22.866 9.410 198 2HG ARG 25 HG1 ARG 25 0.668 -23.316 7.914 199 1HD ARG 25 HD2 ARG 25 3.613 -23.383 8.517 200 2HD ARG 25 HD1 ARG 25 2.558 -24.731 8.095 201 HE ARG 25 HE ARG 25 3.786 -22.838 6.287 202 1HH1 ARG 25 HH1 ARG 25 1.297 -25.254 6.709 203 2HH1 ARG 25 HH1 ARG 25 1.147 -25.572 5.013 204 1HH2 ARG 25 HH2 ARG 25 3.585 -23.257 4.059 205 2HH2 ARG 25 HH2 ARG 25 2.444 -24.439 3.510 206 H ALA 26 HN ALA 26 4.117 -20.631 8.309 207 HA ALA 26 HA ALA 26 5.379 -20.159 10.770 208 1HB ALA 26 HB1 ALA 26 5.695 -22.177 11.751 209 2HB ALA 26 HB2 ALA 26 5.685 -23.049 10.219 210 3HB ALA 26 HB3 ALA 26 4.165 -22.535 10.950 211 H SER 27 HN SER 27 6.268 -18.979 8.794 212 HA SER 27 HA SER 27 8.813 -20.110 8.165 213 1HB SER 27 HB2 SER 27 7.084 -19.578 5.756 214 2HB SER 27 HB1 SER 27 8.624 -20.432 5.837 215 HG SER 27 HG SER 27 7.625 -22.171 6.714 216 H ASN 28 HN ASN 28 10.156 -18.619 6.879 217 HA ASN 28 HA ASN 28 9.464 -15.862 7.521 218 1HB ASN 28 HB2 ASN 28 11.918 -17.384 7.267 219 2HB ASN 28 HB1 ASN 28 11.997 -15.900 6.323 220 1HD2 ASN 28 HD2 ASN 28 13.720 -15.540 7.974 221 2HD2 ASN 28 HD2 ASN 28 13.257 -14.757 9.443 222 H ARG 29 HN ARG 29 11.008 -17.439 4.716 223 HA ARG 29 HA ARG 29 10.539 -15.385 2.898 224 1HB ARG 29 HB2 ARG 29 10.917 -17.070 1.144 225 2HB ARG 29 HB1 ARG 29 12.103 -17.192 2.436 226 1HG ARG 29 HG2 ARG 29 11.637 -19.382 2.297 227 2HG ARG 29 HG1 ARG 29 10.264 -18.949 3.319 228 1HD ARG 29 HD2 ARG 29 8.910 -19.739 1.744 229 2HD ARG 29 HD1 ARG 29 9.454 -18.441 0.685 230 HE ARG 29 HE ARG 29 11.038 -20.895 0.796 231 1HH1 ARG 29 HH1 ARG 29 8.813 -18.855 -0.968 232 2HH1 ARG 29 HH1 ARG 29 9.115 -19.630 -2.483 233 1HH2 ARG 29 HH2 ARG 29 11.427 -21.912 -1.198 234 2HH2 ARG 29 HH2 ARG 29 10.595 -21.365 -2.616 235 H GLY 30 HN GLY 30 8.911 -14.893 1.485 236 1HA GLY 30 HA2 GLY 30 6.308 -16.051 2.122 237 2HA GLY 30 HA1 GLY 30 6.595 -14.583 1.198 238 H TYR 31 HN TYR 31 4.914 -16.966 0.633 239 HA TYR 31 HA TYR 31 6.152 -18.406 -1.501 240 1HB TYR 31 HB2 TYR 31 3.812 -18.669 0.008 241 2HB TYR 31 HB1 TYR 31 3.256 -18.377 -1.636 242 HD1 TYR 31 HD1 TYR 31 6.274 -20.209 -0.455 243 HD2 TYR 31 HD2 TYR 31 2.494 -20.441 -2.389 244 HE1 TYR 31 HE1 TYR 31 6.712 -22.563 -1.012 245 HE2 TYR 31 HE2 TYR 31 2.918 -22.797 -2.951 246 HH TYR 31 HH TYR 31 5.935 -24.412 -1.986 247 H ARG 32 HN ARG 32 6.592 -17.612 -3.429 248 HA ARG 32 HA ARG 32 5.730 -15.130 -4.367 249 1HB ARG 32 HB2 ARG 32 6.766 -15.756 -6.469 250 2HB ARG 32 HB1 ARG 32 7.770 -16.277 -5.123 251 1HG ARG 32 HG2 ARG 32 5.868 -18.298 -6.046 252 2HG ARG 32 HG1 ARG 32 7.072 -17.821 -7.244 253 1HD ARG 32 HD2 ARG 32 8.818 -18.189 -5.473 254 2HD ARG 32 HD1 ARG 32 7.554 -18.909 -4.482 255 HE ARG 32 HE ARG 32 8.438 -19.965 -7.088 256 1HH1 ARG 32 HH1 ARG 32 7.107 -20.452 -3.888 257 2HH1 ARG 32 HH1 ARG 32 7.061 -22.172 -4.043 258 1HH2 ARG 32 HH2 ARG 32 8.366 -22.224 -7.282 259 2HH2 ARG 32 HH2 ARG 32 7.774 -23.178 -5.963 260 H ALA 33 HN ALA 33 4.278 -14.512 -5.939 261 HA ALA 33 HA ALA 33 1.797 -15.855 -5.992 262 1HB ALA 33 HB1 ALA 33 2.579 -13.347 -6.454 263 2HB ALA 33 HB2 ALA 33 1.026 -13.991 -6.992 264 3HB ALA 33 HB3 ALA 33 2.383 -13.906 -8.105 265 H SER 34 HN SER 34 4.554 -16.733 -7.594 266 HA SER 34 HA SER 34 3.729 -17.243 -10.213 267 1HB SER 34 HB2 SER 34 6.037 -17.664 -8.795 268 2HB SER 34 HB1 SER 34 5.459 -19.312 -9.036 269 HG SER 34 HG SER 34 6.436 -19.035 -10.896 270 H ASP 35 HN ASP 35 3.266 -18.997 -7.228 271 HA ASP 35 HA ASP 35 1.193 -20.590 -8.533 272 1HB ASP 35 HB2 ASP 35 3.349 -21.901 -8.546 273 2HB ASP 35 HB1 ASP 35 3.280 -21.895 -6.786 274 H TRP 36 HN TRP 36 1.752 -18.465 -6.241 275 HA TRP 36 HA TRP 36 0.595 -19.798 -3.965 276 1HB TRP 36 HB2 TRP 36 2.169 -18.043 -3.508 277 2HB TRP 36 HB1 TRP 36 1.273 -16.905 -4.506 278 HD1 TRP 36 HD1 TRP 36 0.710 -15.139 -2.673 279 HE1 TRP 36 HE1 TRP 36 -0.728 -15.167 -0.543 280 HE3 TRP 36 HE3 TRP 36 -0.115 -20.173 -2.308 281 HZ2 TRP 36 HZ2 TRP 36 -2.055 -17.070 1.074 282 HZ3 TRP 36 HZ3 TRP 36 -1.474 -21.015 -0.444 283 HH2 TRP 36 HH2 TRP 36 -2.423 -19.493 1.216 284 H LYS 37 HN LYS 37 -0.463 -17.343 -6.307 285 HA LYS 37 HA LYS 37 -2.530 -16.582 -6.905 286 1HB LYS 37 HB2 LYS 37 -2.734 -18.989 -7.553 287 2HB LYS 37 HB1 LYS 37 -3.461 -19.305 -5.983 288 1HG LYS 37 HG2 LYS 37 -5.450 -18.480 -6.592 289 2HG LYS 37 HG1 LYS 37 -4.734 -17.144 -7.496 290 1HD LYS 37 HD2 LYS 37 -4.076 -19.407 -8.965 291 2HD LYS 37 HD1 LYS 37 -5.738 -19.690 -8.440 292 1HE LYS 37 HE2 LYS 37 -5.089 -16.995 -9.484 293 2HE LYS 37 HE1 LYS 37 -5.125 -18.317 -10.650 294 1HZ LYS 37 HZ1 LYS 37 -7.328 -18.317 -10.609 295 2HZ LYS 37 HZ2 LYS 37 -7.282 -16.915 -9.663 296 3HZ LYS 37 HZ3 LYS 37 -7.372 -18.433 -8.923 297 H LEU 38 HN LEU 38 -4.824 -16.151 -6.076 298 HA LEU 38 HA LEU 38 -5.457 -16.514 -3.358 299 1HB LEU 38 HB2 LEU 38 -3.436 -14.770 -3.585 300 2HB LEU 38 HB1 LEU 38 -4.789 -13.671 -3.768 301 HG LEU 38 HG LEU 38 -5.706 -14.443 -1.638 302 1HD1 LEU 38 HD1 LEU 38 -5.033 -16.626 -1.346 303 2HD1 LEU 38 HD1 LEU 38 -3.996 -15.772 -0.204 304 3HD1 LEU 38 HD1 LEU 38 -3.358 -16.278 -1.769 305 1HD2 LEU 38 HD2 LEU 38 -3.074 -13.814 -0.646 306 2HD2 LEU 38 HD2 LEU 38 -4.547 -12.853 -0.620 307 3HD2 LEU 38 HD2 LEU 38 -3.491 -12.807 -2.032 308 H ASP 39 HN ASP 39 -7.370 -17.024 -4.564 309 HA ASP 39 HA ASP 39 -8.828 -14.823 -5.785 310 1HB ASP 39 HB2 ASP 39 -9.764 -17.670 -5.417 311 2HB ASP 39 HB1 ASP 39 -10.381 -16.475 -6.554 312 H GLN 40 HN GLN 40 -8.707 -16.520 -2.770 313 HA GLN 40 HA GLN 40 -11.378 -15.692 -2.008 314 1HB GLN 40 HB2 GLN 40 -9.241 -17.294 -0.638 315 2HB GLN 40 HB1 GLN 40 -10.647 -16.718 0.244 316 1HG GLN 40 HG2 GLN 40 -11.665 -18.577 -0.400 317 2HG GLN 40 HG1 GLN 40 -11.704 -17.891 -2.026 318 1HE2 GLN 40 HE2 GLN 40 -11.704 -20.179 -2.621 319 2HE2 GLN 40 HE2 GLN 40 -10.189 -20.995 -2.771 320 HA PRO 41 HA PRO 41 -9.207 -12.902 1.149 321 1HB PRO 41 HB2 PRO 41 -6.516 -12.972 1.443 322 2HB PRO 41 HB1 PRO 41 -7.606 -14.040 2.333 323 1HG PRO 41 HG2 PRO 41 -5.975 -14.586 -0.095 324 2HG PRO 41 HG1 PRO 41 -6.246 -15.617 1.306 325 1HD PRO 41 HD2 PRO 41 -7.573 -15.946 -1.048 326 2HD PRO 41 HD1 PRO 41 -8.270 -16.357 0.534 327 H ASP 42 HN ASP 42 -9.853 -11.416 -0.427 328 HA ASP 42 HA ASP 42 -7.876 -9.628 -1.352 329 1HB ASP 42 HB2 ASP 42 -8.221 -9.855 -3.767 330 2HB ASP 42 HB1 ASP 42 -7.552 -11.330 -3.080 331 H TRP 43 HN TRP 43 -9.546 -8.593 0.103 332 HA TRP 43 HA TRP 43 -12.175 -8.144 -0.892 333 1HB TRP 43 HB2 TRP 43 -12.154 -6.295 0.934 334 2HB TRP 43 HB1 TRP 43 -12.052 -7.975 1.431 335 HD1 TRP 43 HD1 TRP 43 -9.488 -8.832 2.125 336 HE1 TRP 43 HE1 TRP 43 -7.632 -7.519 3.323 337 HE3 TRP 43 HE3 TRP 43 -11.159 -4.073 1.258 338 HZ2 TRP 43 HZ2 TRP 43 -6.964 -4.839 3.841 339 HZ3 TRP 43 HZ3 TRP 43 -9.851 -2.189 2.150 340 HH2 TRP 43 HH2 TRP 43 -7.793 -2.574 3.418 341 H THR 44 HN THR 44 -13.060 -5.957 -1.333 342 HA THR 44 HA THR 44 -11.147 -4.384 -2.932 343 HB THR 44 HB THR 44 -14.130 -4.657 -3.378 344 HG1 THR 44 HG1 THR 44 -12.004 -5.741 -4.907 345 1HG2 THR 44 HG2 THR 44 -12.264 -2.770 -4.390 346 2HG2 THR 44 HG2 THR 44 -13.972 -2.962 -4.782 347 3HG2 THR 44 HG2 THR 44 -12.752 -3.842 -5.702 348 H GLY 45 HN GLY 45 -10.916 -2.264 -2.483 349 1HA GLY 45 HA2 GLY 45 -12.927 -0.609 -1.400 350 2HA GLY 45 HA1 GLY 45 -11.888 -1.167 -0.096 351 H ARG 46 HN ARG 46 -11.659 1.292 -0.042 352 HA ARG 46 HA ARG 46 -9.614 2.185 -1.948 353 1HB ARG 46 HB2 ARG 46 -10.156 4.472 -1.172 354 2HB ARG 46 HB1 ARG 46 -11.535 3.630 -1.862 355 1HG ARG 46 HG2 ARG 46 -12.192 3.068 0.521 356 2HG ARG 46 HG1 ARG 46 -11.000 4.275 1.013 357 1HD ARG 46 HD2 ARG 46 -12.165 5.924 -0.415 358 2HD ARG 46 HD1 ARG 46 -13.372 4.709 -0.779 359 HE ARG 46 HE ARG 46 -14.339 5.114 1.253 360 1HH1 ARG 46 HH1 ARG 46 -11.086 6.326 1.258 361 2HH1 ARG 46 HH1 ARG 46 -11.279 7.155 2.754 362 1HH2 ARG 46 HH2 ARG 46 -14.593 6.241 3.221 363 2HH2 ARG 46 HH2 ARG 46 -13.252 7.125 3.868 364 H LEU 47 HN LEU 47 -7.638 2.928 -1.306 365 HA LEU 47 HA LEU 47 -7.001 2.677 1.560 366 1HB LEU 47 HB2 LEU 47 -6.175 0.797 0.038 367 2HB LEU 47 HB1 LEU 47 -5.088 1.983 -0.658 368 HG LEU 47 HG LEU 47 -5.088 1.488 2.301 369 1HD1 LEU 47 HD1 LEU 47 -4.264 -0.557 2.094 370 2HD1 LEU 47 HD1 LEU 47 -2.977 0.049 1.053 371 3HD1 LEU 47 HD1 LEU 47 -4.504 -0.481 0.349 372 1HD2 LEU 47 HD2 LEU 47 -3.239 2.680 0.278 373 2HD2 LEU 47 HD2 LEU 47 -2.601 2.028 1.789 374 3HD2 LEU 47 HD2 LEU 47 -3.783 3.333 1.822 375 H ARG 48 HN ARG 48 -5.703 4.214 2.439 376 HA ARG 48 HA ARG 48 -4.268 6.090 0.772 377 1HB ARG 48 HB2 ARG 48 -5.385 8.071 1.603 378 2HB ARG 48 HB1 ARG 48 -6.560 7.020 0.826 379 1HG ARG 48 HG2 ARG 48 -6.399 6.398 3.619 380 2HG ARG 48 HG1 ARG 48 -6.671 8.126 3.400 381 1HD ARG 48 HD2 ARG 48 -8.278 6.171 1.818 382 2HD ARG 48 HD1 ARG 48 -8.689 6.466 3.504 383 HE ARG 48 HE ARG 48 -8.709 8.490 1.362 384 1HH1 ARG 48 HH1 ARG 48 -9.718 7.406 4.534 385 2HH1 ARG 48 HH1 ARG 48 -10.869 8.681 4.734 386 1HH2 ARG 48 HH2 ARG 48 -10.234 10.156 1.633 387 2HH2 ARG 48 HH2 ARG 48 -11.160 10.241 3.094 388 H ILE 49 HN ILE 49 -2.752 7.347 1.937 389 HA ILE 49 HA ILE 49 -2.492 6.710 4.786 390 HB ILE 49 HB ILE 49 -0.078 6.359 4.559 391 1HG1 ILE 49 HG1 ILE 49 -0.401 6.062 1.594 392 2HG1 ILE 49 HG1 ILE 49 -0.081 7.653 2.274 393 1HG2 ILE 49 HG2 ILE 49 -1.990 4.587 3.095 394 2HG2 ILE 49 HG2 ILE 49 -1.243 4.364 4.674 395 3HG2 ILE 49 HG2 ILE 49 -0.283 4.160 3.209 396 1HD1 ILE 49 HD1 ILE 49 1.638 5.210 2.625 397 2HD1 ILE 49 HD1 ILE 49 1.960 6.806 3.299 398 3HD1 ILE 49 HD1 ILE 49 1.969 6.569 1.547 399 H THR 50 HN THR 50 -1.157 8.187 5.979 400 HA THR 50 HA THR 50 -0.172 10.584 4.798 401 HB THR 50 HB THR 50 -2.028 11.755 6.513 402 HG1 THR 50 HG1 THR 50 -3.983 10.925 5.941 403 1HG2 THR 50 HG2 THR 50 -2.994 11.782 3.810 404 2HG2 THR 50 HG2 THR 50 -1.247 12.020 3.856 405 3HG2 THR 50 HG2 THR 50 -2.307 13.088 4.775 406 H SER 51 HN SER 51 0.333 12.256 6.592 407 HA SER 51 HA SER 51 0.769 11.072 9.208 408 1HB SER 51 HB2 SER 51 3.248 11.902 9.005 409 2HB SER 51 HB1 SER 51 2.797 10.328 8.357 410 HG SER 51 HG SER 51 3.077 11.041 6.377 411 H LYS 52 HN LYS 52 0.640 12.556 10.790 412 HA LYS 52 HA LYS 52 -0.213 15.165 10.265 413 1HB LYS 52 HB2 LYS 52 0.291 13.539 12.573 414 2HB LYS 52 HB1 LYS 52 0.957 15.145 12.843 415 1HG LYS 52 HG2 LYS 52 -1.125 16.176 12.606 416 2HG LYS 52 HG1 LYS 52 -1.837 14.758 11.834 417 1HD LYS 52 HD2 LYS 52 -0.839 14.736 14.672 418 2HD LYS 52 HD1 LYS 52 -2.494 15.180 14.247 419 1HE LYS 52 HE2 LYS 52 -2.834 13.008 13.213 420 2HE LYS 52 HE1 LYS 52 -1.162 12.563 13.556 421 1HZ LYS 52 HZ1 LYS 52 -1.590 12.510 15.852 422 2HZ LYS 52 HZ2 LYS 52 -2.895 11.701 15.143 423 3HZ LYS 52 HZ3 LYS 52 -3.082 13.290 15.690 424 H GLY 53 HN GLY 53 2.959 14.045 11.449 425 1HA GLY 53 HA2 GLY 53 4.412 15.906 9.886 426 2HA GLY 53 HA1 GLY 53 4.241 16.517 11.525 427 H LYS 54 HN LYS 54 4.653 14.581 13.188 428 HA LYS 54 HA LYS 54 7.346 13.638 12.544 429 1HB LYS 54 HB2 LYS 54 7.479 13.156 15.009 430 2HB LYS 54 HB1 LYS 54 7.300 14.851 14.587 431 1HG LYS 54 HG2 LYS 54 5.715 14.849 16.161 432 2HG LYS 54 HG1 LYS 54 4.707 14.113 14.918 433 1HD LYS 54 HD2 LYS 54 4.577 12.881 17.029 434 2HD LYS 54 HD1 LYS 54 5.277 11.893 15.747 435 1HE LYS 54 HE2 LYS 54 7.475 13.104 16.887 436 2HE LYS 54 HE1 LYS 54 6.431 12.791 18.268 437 1HZ LYS 54 HZ1 LYS 54 6.670 10.575 18.063 438 2HZ LYS 54 HZ2 LYS 54 8.105 10.992 17.271 439 3HZ LYS 54 HZ3 LYS 54 6.726 10.607 16.371 440 H ILE 55 HN ILE 55 4.142 12.484 13.317 441 HA ILE 55 HA ILE 55 5.142 9.722 13.180 442 HB ILE 55 HB ILE 55 3.983 10.370 15.295 443 1HG1 ILE 55 HG1 ILE 55 2.323 8.300 13.898 444 2HG1 ILE 55 HG1 ILE 55 4.041 8.022 14.171 445 1HG2 ILE 55 HG2 ILE 55 2.287 11.830 14.780 446 2HG2 ILE 55 HG2 ILE 55 1.395 10.329 15.028 447 3HG2 ILE 55 HG2 ILE 55 1.744 10.886 13.393 448 1HD1 ILE 55 HD1 ILE 55 3.793 7.956 16.467 449 2HD1 ILE 55 HD1 ILE 55 2.340 7.142 15.885 450 3HD1 ILE 55 HD1 ILE 55 2.255 8.819 16.427 451 H ALA 56 HN ALA 56 3.526 8.146 12.219 452 HA ALA 56 HA ALA 56 1.940 9.334 10.055 453 1HB ALA 56 HB1 ALA 56 3.435 8.707 8.525 454 2HB ALA 56 HB2 ALA 56 3.127 7.032 8.969 455 3HB ALA 56 HB3 ALA 56 4.429 7.927 9.752 456 H TYR 57 HN TYR 57 0.294 7.971 9.233 457 HA TYR 57 HA TYR 57 -0.150 5.405 10.496 458 1HB TYR 57 HB2 TYR 57 -2.462 6.101 11.247 459 2HB TYR 57 HB1 TYR 57 -1.126 6.758 12.188 460 HD1 TYR 57 HD1 TYR 57 -3.650 7.561 9.611 461 HD2 TYR 57 HD2 TYR 57 -0.752 9.107 12.317 462 HE1 TYR 57 HE1 TYR 57 -4.506 9.832 9.223 463 HE2 TYR 57 HE2 TYR 57 -1.603 11.380 11.941 464 HH TYR 57 HH TYR 57 -3.163 12.634 10.945 465 H ILE 58 HN ILE 58 -1.503 4.078 9.350 466 HA ILE 58 HA ILE 58 -2.315 5.093 6.719 467 HB ILE 58 HB ILE 58 -2.256 2.842 5.919 468 1HG1 ILE 58 HG1 ILE 58 -1.296 1.203 7.921 469 2HG1 ILE 58 HG1 ILE 58 -2.478 2.192 8.772 470 1HG2 ILE 58 HG2 ILE 58 -0.084 3.368 5.714 471 2HG2 ILE 58 HG2 ILE 58 0.154 2.219 7.027 472 3HG2 ILE 58 HG2 ILE 58 0.035 3.944 7.375 473 1HD1 ILE 58 HD1 ILE 58 -4.204 1.177 7.785 474 2HD1 ILE 58 HD1 ILE 58 -3.033 -0.088 7.411 475 3HD1 ILE 58 HD1 ILE 58 -3.414 1.145 6.209 476 H LYS 59 HN LYS 59 -4.400 5.158 6.105 477 HA LYS 59 HA LYS 59 -6.391 4.048 7.974 478 1HB LYS 59 HB2 LYS 59 -6.571 6.478 6.190 479 2HB LYS 59 HB1 LYS 59 -7.922 5.819 7.100 480 1HG LYS 59 HG2 LYS 59 -6.637 6.199 9.186 481 2HG LYS 59 HG1 LYS 59 -5.383 6.981 8.222 482 1HD LYS 59 HD2 LYS 59 -6.824 8.666 9.172 483 2HD LYS 59 HD1 LYS 59 -7.069 8.611 7.427 484 1HE LYS 59 HE2 LYS 59 -9.227 8.121 7.674 485 2HE LYS 59 HE1 LYS 59 -8.862 6.799 8.780 486 1HZ LYS 59 HZ1 LYS 59 -9.407 8.038 10.530 487 2HZ LYS 59 HZ2 LYS 59 -10.113 9.118 9.436 488 3HZ LYS 59 HZ3 LYS 59 -8.535 9.382 9.983 489 H LEU 60 HN LEU 60 -8.079 2.862 7.187 490 HA LEU 60 HA LEU 60 -8.129 2.404 4.282 491 1HB LEU 60 HB2 LEU 60 -7.882 0.438 6.480 492 2HB LEU 60 HB1 LEU 60 -8.963 0.013 5.173 493 HG LEU 60 HG LEU 60 -6.148 0.891 4.625 494 1HD1 LEU 60 HD1 LEU 60 -6.156 -1.862 4.428 495 2HD1 LEU 60 HD1 LEU 60 -7.016 -1.548 5.936 496 3HD1 LEU 60 HD1 LEU 60 -5.392 -0.904 5.697 497 1HD2 LEU 60 HD2 LEU 60 -8.088 -0.864 3.127 498 2HD2 LEU 60 HD2 LEU 60 -6.473 -0.404 2.588 499 3HD2 LEU 60 HD2 LEU 60 -7.732 0.821 2.760 500 H GLU 61 HN GLU 61 -10.120 1.844 3.387 501 HA GLU 61 HA GLU 61 -12.500 1.566 4.881 502 1HB GLU 61 HB2 GLU 61 -12.015 3.994 5.282 503 2HB GLU 61 HB1 GLU 61 -12.168 4.262 3.551 504 1HG GLU 61 HG2 GLU 61 -14.367 4.415 3.722 505 2HG GLU 61 HG1 GLU 61 -14.453 2.849 4.504 506 H ASP 62 HN ASP 62 -14.460 1.640 3.428 507 HA ASP 62 HA ASP 62 -13.732 0.469 0.887 508 1HB ASP 62 HB2 ASP 62 -15.449 -0.602 2.273 509 2HB ASP 62 HB1 ASP 62 -16.446 0.852 2.174 510 H LYS 63 HN LYS 63 -14.108 1.296 -1.073 511 HA LYS 63 HA LYS 63 -14.380 4.091 -1.373 512 1HB LYS 63 HB2 LYS 63 -13.157 2.422 -2.870 513 2HB LYS 63 HB1 LYS 63 -14.743 2.078 -3.552 514 1HG LYS 63 HG2 LYS 63 -14.449 4.882 -3.538 515 2HG LYS 63 HG1 LYS 63 -12.952 4.191 -4.161 516 1HD LYS 63 HD2 LYS 63 -15.585 3.195 -5.158 517 2HD LYS 63 HD1 LYS 63 -14.904 4.693 -5.803 518 1HE LYS 63 HE2 LYS 63 -14.192 2.956 -7.248 519 2HE LYS 63 HE1 LYS 63 -12.796 3.398 -6.267 520 1HZ LYS 63 HZ1 LYS 63 -13.405 1.488 -4.796 521 2HZ LYS 63 HZ2 LYS 63 -12.878 1.055 -6.334 522 3HZ LYS 63 HZ3 LYS 63 -14.531 1.012 -5.965 523 H VAL 64 HN VAL 64 -16.727 1.828 -0.765 524 HA VAL 64 HA VAL 64 -18.761 2.916 -2.475 525 HB VAL 64 HB VAL 64 -19.083 1.037 -0.138 526 1HG1 VAL 64 HG1 VAL 64 -21.130 2.176 -1.016 527 2HG1 VAL 64 HG1 VAL 64 -21.162 0.415 -1.131 528 3HG1 VAL 64 HG1 VAL 64 -20.831 1.387 -2.566 529 1HG2 VAL 64 HG2 VAL 64 -18.716 -0.784 -1.543 530 2HG2 VAL 64 HG2 VAL 64 -17.447 0.354 -1.999 531 3HG2 VAL 64 HG2 VAL 64 -18.885 0.189 -3.005 532 H SER 65 HN SER 65 -18.619 2.563 1.088 533 HA SER 65 HA SER 65 -18.986 5.241 1.711 534 1HB SER 65 HB2 SER 65 -21.097 5.457 0.819 535 2HB SER 65 HB1 SER 65 -21.500 3.763 1.089 536 HG SER 65 HG SER 65 -22.636 4.708 2.635 537 H GLY 66 HN GLY 66 -17.464 4.344 3.236 538 1HA GLY 66 HA2 GLY 66 -17.232 4.122 5.582 539 2HA GLY 66 HA1 GLY 66 -18.843 3.423 5.650 540 H GLU 67 HN GLU 67 -19.071 1.221 5.571 541 HA GLU 67 HA GLU 67 -18.531 -1.000 5.410 542 1HB GLU 67 HB2 GLU 67 -16.971 0.015 3.528 543 2HB GLU 67 HB1 GLU 67 -15.708 -0.462 4.647 544 1HG GLU 67 HG2 GLU 67 -15.955 -2.244 3.146 545 2HG GLU 67 HG1 GLU 67 -16.747 -2.760 4.627 546 H LEU 68 HN LEU 68 -16.474 -2.468 6.186 547 HA LEU 68 HA LEU 68 -16.432 -2.453 8.903 548 1HB LEU 68 HB2 LEU 68 -14.201 -3.357 7.080 549 2HB LEU 68 HB1 LEU 68 -14.384 -3.823 8.760 550 HG LEU 68 HG LEU 68 -16.658 -4.388 6.931 551 1HD1 LEU 68 HD1 LEU 68 -14.017 -5.819 6.859 552 2HD1 LEU 68 HD1 LEU 68 -14.940 -5.152 5.513 553 3HD1 LEU 68 HD1 LEU 68 -15.528 -6.580 6.362 554 1HD2 LEU 68 HD2 LEU 68 -16.662 -4.872 9.383 555 2HD2 LEU 68 HD2 LEU 68 -15.371 -6.039 9.098 556 3HD2 LEU 68 HD2 LEU 68 -16.955 -6.278 8.360 557 H PHE 69 HN PHE 69 -13.950 -1.008 6.798 558 HA PHE 69 HA PHE 69 -12.460 0.669 7.145 559 1HB PHE 69 HB2 PHE 69 -14.308 2.004 7.952 560 2HB PHE 69 HB1 PHE 69 -14.226 1.235 9.533 561 HD1 PHE 69 HD1 PHE 69 -12.467 3.512 7.225 562 HD2 PHE 69 HD2 PHE 69 -12.750 2.006 11.195 563 HE1 PHE 69 HE1 PHE 69 -10.941 5.281 8.000 564 HE2 PHE 69 HE2 PHE 69 -11.225 3.770 11.977 565 HZ PHE 69 HZ PHE 69 -10.318 5.411 10.380 566 H ALA 70 HN ALA 70 -10.437 0.484 7.792 567 HA ALA 70 HA ALA 70 -9.804 -0.429 10.481 568 1HB ALA 70 HB1 ALA 70 -8.337 -1.851 8.328 569 2HB ALA 70 HB2 ALA 70 -9.988 -2.371 8.670 570 3HB ALA 70 HB3 ALA 70 -8.775 -2.388 9.950 571 H GLN 71 HN GLN 71 -7.670 0.098 11.133 572 HA GLN 71 HA GLN 71 -5.945 1.454 9.236 573 1HB GLN 71 HB2 GLN 71 -5.743 3.377 11.017 574 2HB GLN 71 HB1 GLN 71 -6.988 3.427 9.780 575 1HG GLN 71 HG2 GLN 71 -8.375 3.822 11.474 576 2HG GLN 71 HG1 GLN 71 -8.262 2.092 11.782 577 1HE2 GLN 71 HE2 GLN 71 -7.306 5.258 12.807 578 2HE2 GLN 71 HE2 GLN 71 -6.638 4.792 14.330 579 H ALA 72 HN ALA 72 -3.848 2.074 10.250 580 HA ALA 72 HA ALA 72 -3.203 0.604 12.685 581 1HB ALA 72 HB1 ALA 72 -2.391 -0.192 9.984 582 2HB ALA 72 HB2 ALA 72 -2.467 -1.135 11.471 583 3HB ALA 72 HB3 ALA 72 -1.070 -0.106 11.150 584 HA PRO 73 HA PRO 73 -1.005 4.532 13.009 585 1HB PRO 73 HB2 PRO 73 -0.092 4.113 15.544 586 2HB PRO 73 HB1 PRO 73 -1.725 4.680 15.182 587 1HG PRO 73 HG2 PRO 73 -0.780 1.914 15.830 588 2HG PRO 73 HG1 PRO 73 -2.227 2.766 16.402 589 1HD PRO 73 HD2 PRO 73 -2.328 0.927 14.434 590 2HD PRO 73 HD1 PRO 73 -3.398 2.344 14.458 591 H VAL 74 HN VAL 74 1.059 5.046 12.506 592 HA VAL 74 HA VAL 74 3.115 2.958 12.842 593 HB VAL 74 HB VAL 74 3.152 4.991 10.623 594 1HG1 VAL 74 HG1 VAL 74 5.178 3.584 11.414 595 2HG1 VAL 74 HG1 VAL 74 4.843 3.725 9.690 596 3HG1 VAL 74 HG1 VAL 74 4.375 2.265 10.566 597 1HG2 VAL 74 HG2 VAL 74 2.043 3.553 9.147 598 2HG2 VAL 74 HG2 VAL 74 1.061 3.501 10.609 599 3HG2 VAL 74 HG2 VAL 74 2.169 2.178 10.242 600 H GLU 75 HN GLU 75 5.118 3.609 13.544 601 HA GLU 75 HA GLU 75 5.287 5.971 15.089 602 1HB GLU 75 HB2 GLU 75 7.085 3.697 14.461 603 2HB GLU 75 HB1 GLU 75 7.885 5.188 14.907 604 1HG GLU 75 HG2 GLU 75 5.670 4.138 16.604 605 2HG GLU 75 HG1 GLU 75 7.279 3.428 16.716 606 H GLN 76 HN GLN 76 5.696 5.473 11.767 607 HA GLN 76 HA GLN 76 6.400 6.798 10.074 608 1HB GLN 76 HB2 GLN 76 5.326 8.531 11.646 609 2HB GLN 76 HB1 GLN 76 6.969 8.974 12.057 610 1HG GLN 76 HG2 GLN 76 6.368 8.814 9.181 611 2HG GLN 76 HG1 GLN 76 5.552 10.100 10.070 612 1HE2 GLN 76 HE2 GLN 76 6.654 11.821 9.320 613 2HE2 GLN 76 HE2 GLN 76 8.348 12.074 9.551 614 H TYR 77 HN TYR 77 8.280 6.921 9.023 615 HA TYR 77 HA TYR 77 10.597 7.529 8.813 616 1HB TYR 77 HB2 TYR 77 10.655 8.105 11.292 617 2HB TYR 77 HB1 TYR 77 10.993 6.411 11.591 618 HD1 TYR 77 HD1 TYR 77 12.908 6.017 9.196 619 HD2 TYR 77 HD2 TYR 77 12.610 9.018 12.195 620 HE1 TYR 77 HE1 TYR 77 15.309 6.440 8.993 621 HE2 TYR 77 HE2 TYR 77 15.017 9.454 11.996 622 HH TYR 77 HH TYR 77 16.821 8.767 9.607 623 HA PRO 78 HA PRO 78 11.765 2.898 9.368 624 1HB PRO 78 HB2 PRO 78 9.927 1.223 10.465 625 2HB PRO 78 HB1 PRO 78 11.171 2.054 11.404 626 1HG PRO 78 HG2 PRO 78 8.285 2.722 11.070 627 2HG PRO 78 HG1 PRO 78 9.311 2.844 12.511 628 1HD PRO 78 HD2 PRO 78 8.618 4.958 10.942 629 2HD PRO 78 HD1 PRO 78 10.092 4.906 11.920 630 H GLY 79 HN GLY 79 10.829 3.908 7.181 631 1HA GLY 79 HA2 GLY 79 8.553 2.476 6.106 632 2HA GLY 79 HA1 GLY 79 9.605 3.576 5.221 633 H ILE 80 HN ILE 80 8.657 0.437 5.433 634 HA ILE 80 HA ILE 80 10.459 -0.531 3.556 635 HB ILE 80 HB ILE 80 11.978 -0.338 5.640 636 1HG1 ILE 80 HG1 ILE 80 13.288 -2.200 4.996 637 2HG1 ILE 80 HG1 ILE 80 11.885 -3.120 4.484 638 1HG2 ILE 80 HG2 ILE 80 11.809 -2.594 6.957 639 2HG2 ILE 80 HG2 ILE 80 10.113 -2.499 6.493 640 3HG2 ILE 80 HG2 ILE 80 10.845 -1.197 7.429 641 1HD1 ILE 80 HD1 ILE 80 11.868 -0.844 2.882 642 2HD1 ILE 80 HD1 ILE 80 12.350 -2.475 2.418 643 3HD1 ILE 80 HD1 ILE 80 13.560 -1.325 2.989 644 H ALA 81 HN ALA 81 10.454 -3.131 3.717 645 HA ALA 81 HA ALA 81 9.281 -5.085 3.868 646 1HB ALA 81 HB1 ALA 81 7.473 -5.354 5.304 647 2HB ALA 81 HB2 ALA 81 6.994 -3.662 5.181 648 3HB ALA 81 HB3 ALA 81 8.445 -4.107 6.082 649 H VAL 82 HN VAL 82 9.315 -4.691 1.600 650 HA VAL 82 HA VAL 82 6.636 -4.650 0.489 651 HB VAL 82 HB VAL 82 7.291 -3.062 -1.312 652 1HG1 VAL 82 HG1 VAL 82 6.848 -1.077 -0.064 653 2HG1 VAL 82 HG1 VAL 82 7.461 -1.808 1.421 654 3HG1 VAL 82 HG1 VAL 82 5.964 -2.398 0.700 655 1HG2 VAL 82 HG2 VAL 82 9.272 -1.517 -0.219 656 2HG2 VAL 82 HG2 VAL 82 9.490 -2.693 -1.515 657 3HG2 VAL 82 HG2 VAL 82 9.814 -3.153 0.156 658 H GLU 83 HN GLU 83 6.474 -6.170 -1.032 659 HA GLU 83 HA GLU 83 8.770 -6.847 -2.673 660 1HB GLU 83 HB2 GLU 83 7.454 -8.793 -0.789 661 2HB GLU 83 HB1 GLU 83 8.359 -9.317 -2.203 662 1HG GLU 83 HG2 GLU 83 9.532 -7.549 -0.080 663 2HG GLU 83 HG1 GLU 83 9.605 -9.310 -0.020 664 H THR 84 HN THR 84 8.196 -8.370 -4.400 665 HA THR 84 HA THR 84 5.331 -8.363 -5.015 666 HB THR 84 HB THR 84 5.646 -7.550 -7.204 667 HG1 THR 84 HG1 THR 84 7.714 -7.324 -8.133 668 1HG2 THR 84 HG2 THR 84 7.784 -5.809 -6.299 669 2HG2 THR 84 HG2 THR 84 6.451 -5.932 -5.150 670 3HG2 THR 84 HG2 THR 84 6.141 -5.428 -6.811 671 H VAL 85 HN VAL 85 5.628 -9.502 -7.525 672 HA VAL 85 HA VAL 85 5.856 -12.243 -6.870 673 HB VAL 85 HB VAL 85 5.665 -12.469 -9.434 674 1HG1 VAL 85 HG1 VAL 85 3.316 -11.006 -8.442 675 2HG1 VAL 85 HG1 VAL 85 3.881 -12.335 -7.425 676 3HG1 VAL 85 HG1 VAL 85 3.458 -12.628 -9.108 677 1HG2 VAL 85 HG2 VAL 85 5.225 -10.627 -10.730 678 2HG2 VAL 85 HG2 VAL 85 6.358 -9.914 -9.587 679 3HG2 VAL 85 HG2 VAL 85 4.617 -9.683 -9.377 680 H THR 86 HN THR 86 7.821 -13.028 -6.385 681 HA THR 86 HA THR 86 10.270 -12.181 -7.448 682 HB THR 86 HB THR 86 10.629 -14.849 -6.682 683 HG1 THR 86 HG1 THR 86 8.389 -14.728 -5.999 684 1HG2 THR 86 HG2 THR 86 12.002 -12.914 -5.971 685 2HG2 THR 86 HG2 THR 86 11.569 -14.006 -4.657 686 3HG2 THR 86 HG2 THR 86 10.722 -12.471 -4.842 687 H ASP 87 HN ASP 87 7.813 -13.874 -8.998 688 HA ASP 87 HA ASP 87 9.622 -14.568 -11.169 689 1HB ASP 87 HB2 ASP 87 8.468 -16.535 -9.425 690 2HB ASP 87 HB1 ASP 87 7.785 -16.721 -11.037 691 H SER 88 HN SER 88 7.191 -12.731 -10.463 692 HA SER 88 HA SER 88 5.640 -11.654 -11.755 693 1HB SER 88 HB2 SER 88 7.148 -12.361 -13.682 694 2HB SER 88 HB1 SER 88 6.020 -13.694 -13.931 695 HG SER 88 HG SER 88 4.544 -11.539 -13.732 696 H SER 89 HN SER 89 3.418 -11.742 -12.077 697 HA SER 89 HA SER 89 1.937 -14.123 -12.387 698 1HB SER 89 HB2 SER 89 2.618 -14.579 -10.083 699 2HB SER 89 HB1 SER 89 1.978 -13.014 -9.582 700 HG SER 89 HG SER 89 0.084 -13.871 -9.471 701 H ARG 90 HN ARG 90 0.813 -11.735 -10.069 702 HA ARG 90 HA ARG 90 -0.293 -9.867 -11.833 703 1HB ARG 90 HB2 ARG 90 -2.742 -10.636 -11.491 704 2HB ARG 90 HB1 ARG 90 -1.772 -11.423 -12.730 705 1HG ARG 90 HG2 ARG 90 -2.692 -13.255 -11.752 706 2HG ARG 90 HG1 ARG 90 -1.241 -13.098 -10.762 707 1HD ARG 90 HD2 ARG 90 -2.902 -13.376 -9.177 708 2HD ARG 90 HD1 ARG 90 -2.726 -11.626 -9.245 709 HE ARG 90 HE ARG 90 -4.871 -13.117 -10.618 710 1HH1 ARG 90 HH1 ARG 90 -3.748 -10.321 -8.841 711 2HH1 ARG 90 HH1 ARG 90 -5.277 -9.522 -8.902 712 1HH2 ARG 90 HH2 ARG 90 -6.891 -12.063 -10.662 713 2HH2 ARG 90 HH2 ARG 90 -7.060 -10.509 -9.915 714 H TYR 91 HN TYR 91 0.927 -10.025 -9.171 715 HA TYR 91 HA TYR 91 -0.698 -8.107 -7.849 716 1HB TYR 91 HB2 TYR 91 -1.839 -9.288 -6.304 717 2HB TYR 91 HB1 TYR 91 -1.524 -10.683 -7.325 718 HD1 TYR 91 HD1 TYR 91 -1.421 -9.525 -4.067 719 HD2 TYR 91 HD2 TYR 91 0.917 -11.779 -6.823 720 HE1 TYR 91 HE1 TYR 91 -0.254 -10.606 -2.190 721 HE2 TYR 91 HE2 TYR 91 2.086 -12.859 -4.945 722 HH TYR 91 HH TYR 91 1.387 -12.014 -1.590 723 H PHE 92 HN PHE 92 0.179 -8.107 -5.332 724 HA PHE 92 HA PHE 92 3.000 -8.645 -5.164 725 1HB PHE 92 HB2 PHE 92 3.514 -6.180 -4.646 726 2HB PHE 92 HB1 PHE 92 3.339 -6.645 -6.334 727 HD1 PHE 92 HD1 PHE 92 1.817 -4.840 -3.538 728 HD2 PHE 92 HD2 PHE 92 1.499 -5.859 -7.656 729 HE1 PHE 92 HE1 PHE 92 0.107 -3.097 -3.833 730 HE2 PHE 92 HE2 PHE 92 -0.211 -4.118 -7.959 731 HZ PHE 92 HZ PHE 92 -0.911 -2.734 -6.046 732 H VAL 93 HN VAL 93 3.908 -7.631 -3.042 733 HA VAL 93 HA VAL 93 1.801 -7.739 -0.990 734 HB VAL 93 HB VAL 93 4.600 -8.811 -0.624 735 1HG1 VAL 93 HG1 VAL 93 2.600 -9.937 1.092 736 2HG1 VAL 93 HG1 VAL 93 2.538 -8.177 1.182 737 3HG1 VAL 93 HG1 VAL 93 4.048 -9.024 1.516 738 1HG2 VAL 93 HG2 VAL 93 2.453 -9.980 -2.090 739 2HG2 VAL 93 HG2 VAL 93 2.692 -10.907 -0.609 740 3HG2 VAL 93 HG2 VAL 93 4.038 -10.659 -1.721 741 H ILE 94 HN ILE 94 1.831 -6.168 0.498 742 HA ILE 94 HA ILE 94 4.218 -4.452 0.656 743 HB ILE 94 HB ILE 94 2.706 -2.504 0.985 744 1HG1 ILE 94 HG1 ILE 94 0.362 -3.108 -0.202 745 2HG1 ILE 94 HG1 ILE 94 0.680 -4.633 0.608 746 1HG2 ILE 94 HG2 ILE 94 2.510 -2.042 -1.272 747 2HG2 ILE 94 HG2 ILE 94 2.109 -3.708 -1.686 748 3HG2 ILE 94 HG2 ILE 94 3.762 -3.284 -1.236 749 1HD1 ILE 94 HD1 ILE 94 0.124 -3.797 2.581 750 2HD1 ILE 94 HD1 ILE 94 -0.515 -2.404 1.709 751 3HD1 ILE 94 HD1 ILE 94 1.128 -2.369 2.349 752 H ARG 95 HN ARG 95 4.900 -4.041 2.682 753 HA ARG 95 HA ARG 95 3.027 -4.501 4.900 754 1HB ARG 95 HB2 ARG 95 4.377 -6.496 4.740 755 2HB ARG 95 HB1 ARG 95 5.847 -5.558 4.639 756 1HG ARG 95 HG2 ARG 95 5.101 -4.711 7.009 757 2HG ARG 95 HG1 ARG 95 4.153 -6.188 7.006 758 1HD ARG 95 HD2 ARG 95 6.713 -6.892 6.097 759 2HD ARG 95 HD1 ARG 95 6.960 -5.814 7.470 760 HE ARG 95 HE ARG 95 5.019 -7.839 7.998 761 1HH1 ARG 95 HH1 ARG 95 8.435 -7.141 7.922 762 2HH1 ARG 95 HH1 ARG 95 8.842 -8.406 9.032 763 1HH2 ARG 95 HH2 ARG 95 5.555 -9.510 9.440 764 2HH2 ARG 95 HH2 ARG 95 7.210 -9.750 9.892 765 H ILE 96 HN ILE 96 3.798 -3.497 6.957 766 HA ILE 96 HA ILE 96 5.462 -1.123 6.458 767 HB ILE 96 HB ILE 96 2.975 -1.177 8.168 768 1HG1 ILE 96 HG1 ILE 96 3.179 0.372 5.618 769 2HG1 ILE 96 HG1 ILE 96 2.801 -1.344 5.540 770 1HG2 ILE 96 HG2 ILE 96 3.416 1.413 7.673 771 2HG2 ILE 96 HG2 ILE 96 5.078 0.828 7.645 772 3HG2 ILE 96 HG2 ILE 96 4.075 0.573 9.075 773 1HD1 ILE 96 HD1 ILE 96 0.683 -0.927 6.017 774 2HD1 ILE 96 HD1 ILE 96 1.048 0.797 5.973 775 3HD1 ILE 96 HD1 ILE 96 1.138 -0.084 7.499 776 H GLN 97 HN GLN 97 6.507 -0.283 8.368 777 HA GLN 97 HA GLN 97 6.602 -2.093 10.673 778 1HB GLN 97 HB2 GLN 97 8.463 -2.956 9.540 779 2HB GLN 97 HB1 GLN 97 8.920 -1.386 8.899 780 1HG GLN 97 HG2 GLN 97 10.501 -1.419 10.468 781 2HG GLN 97 HG1 GLN 97 9.215 -0.995 11.584 782 1HE2 GLN 97 HE2 GLN 97 11.021 -3.678 10.226 783 2HE2 GLN 97 HE2 GLN 97 10.804 -4.748 11.566 784 H ASP 98 HN ASP 98 7.349 -1.114 12.615 785 HA ASP 98 HA ASP 98 8.235 1.554 12.689 786 1HB ASP 98 HB2 ASP 98 6.278 2.648 13.583 787 2HB ASP 98 HB1 ASP 98 5.959 2.001 11.988 788 H GLY 99 HN GLY 99 8.664 2.401 14.742 789 1HA GLY 99 HA2 GLY 99 9.099 2.320 17.006 790 2HA GLY 99 HA1 GLY 99 8.001 0.956 17.125 791 H THR 100 HN THR 100 9.653 -0.386 14.927 792 HA THR 100 HA THR 100 11.548 -1.645 14.674 793 HB THR 100 HB THR 100 12.421 -0.704 17.419 794 HG1 THR 100 HG1 THR 100 13.394 0.946 16.460 795 1HG2 THR 100 HG2 THR 100 13.851 -2.107 15.193 796 2HG2 THR 100 HG2 THR 100 13.665 -2.613 16.872 797 3HG2 THR 100 HG2 THR 100 14.691 -1.236 16.477 798 H GLY 101 HN GLY 101 9.073 -2.527 15.536 799 1HA GLY 101 HA2 GLY 101 9.722 -5.081 16.560 800 2HA GLY 101 HA1 GLY 101 9.023 -4.102 17.839 801 H ARG 102 HN ARG 102 7.221 -2.653 16.026 802 HA ARG 102 HA ARG 102 5.281 -4.823 15.579 803 1HB ARG 102 HB2 ARG 102 4.604 -1.907 15.927 804 2HB ARG 102 HB1 ARG 102 3.531 -3.295 16.063 805 1HG ARG 102 HG2 ARG 102 3.835 -3.070 18.261 806 2HG ARG 102 HG1 ARG 102 5.394 -3.846 17.974 807 1HD ARG 102 HD2 ARG 102 6.541 -1.962 18.376 808 2HD ARG 102 HD1 ARG 102 5.390 -0.960 17.498 809 HE ARG 102 HE ARG 102 5.043 -1.844 20.290 810 1HH1 ARG 102 HH1 ARG 102 4.512 0.490 17.739 811 2HH1 ARG 102 HH1 ARG 102 3.702 1.613 18.773 812 1HH2 ARG 102 HH2 ARG 102 3.974 -0.362 21.640 813 2HH2 ARG 102 HH2 ARG 102 3.395 1.133 20.984 814 H SER 103 HN SER 103 4.999 -5.351 13.530 815 HA SER 103 HA SER 103 4.772 -3.249 11.510 816 1HB SER 103 HB2 SER 103 6.274 -5.572 10.536 817 2HB SER 103 HB1 SER 103 6.599 -3.855 10.319 818 HG SER 103 HG SER 103 7.705 -5.599 12.061 819 H ALA 104 HN ALA 104 3.145 -3.624 10.102 820 HA ALA 104 HA ALA 104 1.899 -6.293 10.159 821 1HB ALA 104 HB1 ALA 104 0.702 -3.583 9.638 822 2HB ALA 104 HB2 ALA 104 0.375 -4.670 10.988 823 3HB ALA 104 HB3 ALA 104 -0.154 -5.099 9.361 824 H PHE 105 HN PHE 105 1.476 -7.380 8.296 825 HA PHE 105 HA PHE 105 2.426 -6.149 5.795 826 1HB PHE 105 HB2 PHE 105 3.738 -7.935 5.394 827 2HB PHE 105 HB1 PHE 105 3.495 -8.339 7.084 828 HD1 PHE 105 HD1 PHE 105 2.409 -9.042 3.646 829 HD2 PHE 105 HD2 PHE 105 2.217 -10.209 7.731 830 HE1 PHE 105 HE1 PHE 105 1.391 -11.178 2.982 831 HE2 PHE 105 HE2 PHE 105 1.197 -12.349 7.078 832 HZ PHE 105 HZ PHE 105 0.781 -12.837 4.701 833 H ILE 106 HN ILE 106 1.214 -6.354 3.963 834 HA ILE 106 HA ILE 106 -1.191 -8.019 3.962 835 HB ILE 106 HB ILE 106 -1.445 -5.117 3.222 836 1HG1 ILE 106 HG1 ILE 106 -0.756 -5.496 5.693 837 2HG1 ILE 106 HG1 ILE 106 -2.135 -4.470 5.353 838 1HG2 ILE 106 HG2 ILE 106 -3.867 -5.627 3.728 839 2HG2 ILE 106 HG2 ILE 106 -3.391 -7.325 3.818 840 3HG2 ILE 106 HG2 ILE 106 -3.172 -6.424 2.318 841 1HD1 ILE 106 HD1 ILE 106 -3.603 -6.443 5.794 842 2HD1 ILE 106 HD1 ILE 106 -2.700 -5.854 7.189 843 3HD1 ILE 106 HD1 ILE 106 -2.167 -7.305 6.342 844 H GLY 107 HN GLY 107 -2.286 -7.906 1.723 845 1HA GLY 107 HA2 GLY 107 -0.214 -7.475 -0.339 846 2HA GLY 107 HA1 GLY 107 -1.394 -8.775 -0.400 847 H ILE 108 HN ILE 108 -0.785 -6.523 -2.284 848 HA ILE 108 HA ILE 108 -3.558 -5.708 -2.688 849 HB ILE 108 HB ILE 108 -1.295 -3.704 -2.691 850 1HG1 ILE 108 HG1 ILE 108 -3.670 -3.736 -0.844 851 2HG1 ILE 108 HG1 ILE 108 -2.151 -4.524 -0.426 852 1HG2 ILE 108 HG2 ILE 108 -2.859 -2.045 -3.267 853 2HG2 ILE 108 HG2 ILE 108 -4.230 -3.116 -2.975 854 3HG2 ILE 108 HG2 ILE 108 -3.178 -3.385 -4.362 855 1HD1 ILE 108 HD1 ILE 108 -0.986 -2.442 -0.537 856 2HD1 ILE 108 HD1 ILE 108 -2.387 -2.256 0.515 857 3HD1 ILE 108 HD1 ILE 108 -2.422 -1.618 -1.132 858 H GLY 109 HN GLY 109 -4.046 -5.127 -4.867 859 1HA GLY 109 HA2 GLY 109 -2.083 -4.980 -6.903 860 2HA GLY 109 HA1 GLY 109 -2.737 -6.607 -6.834 861 H PHE 110 HN PHE 110 -3.408 -6.112 -9.036 862 HA PHE 110 HA PHE 110 -6.129 -5.126 -9.049 863 1HB PHE 110 HB2 PHE 110 -3.973 -3.850 -10.745 864 2HB PHE 110 HB1 PHE 110 -5.698 -3.629 -11.008 865 HD1 PHE 110 HD1 PHE 110 -7.015 -2.257 -9.546 866 HD2 PHE 110 HD2 PHE 110 -2.865 -2.853 -8.835 867 HE1 PHE 110 HE1 PHE 110 -7.016 -0.371 -7.981 868 HE2 PHE 110 HE2 PHE 110 -2.857 -0.965 -7.259 869 HZ PHE 110 HZ PHE 110 -4.937 0.283 -6.827 870 H THR 111 HN THR 111 -7.284 -5.702 -10.971 871 HA THR 111 HA THR 111 -6.580 -8.244 -11.973 872 HB THR 111 HB THR 111 -8.497 -7.359 -13.713 873 HG1 THR 111 HG1 THR 111 -9.356 -5.614 -12.969 874 1HG2 THR 111 HG2 THR 111 -8.399 -9.019 -11.427 875 2HG2 THR 111 HG2 THR 111 -9.575 -9.021 -12.742 876 3HG2 THR 111 HG2 THR 111 -9.848 -8.021 -11.315 877 H ASP 112 HN ASP 112 -5.290 -5.295 -12.777 878 HA ASP 112 HA ASP 112 -4.211 -6.362 -15.257 879 1HB ASP 112 HB2 ASP 112 -6.164 -4.208 -15.136 880 2HB ASP 112 HB1 ASP 112 -4.668 -3.692 -15.911 881 H ARG 113 HN ARG 113 -2.160 -5.629 -15.736 882 HA ARG 113 HA ARG 113 -0.553 -4.735 -13.636 883 1HB ARG 113 HB2 ARG 113 -0.051 -4.666 -16.615 884 2HB ARG 113 HB1 ARG 113 1.179 -4.347 -15.400 885 1HG ARG 113 HG2 ARG 113 -0.244 -6.863 -14.995 886 2HG ARG 113 HG1 ARG 113 0.643 -6.777 -16.518 887 1HD ARG 113 HD2 ARG 113 2.513 -7.229 -15.411 888 2HD ARG 113 HD1 ARG 113 2.340 -5.705 -14.548 889 HE ARG 113 HE ARG 113 1.363 -8.319 -13.606 890 1HH1 ARG 113 HH1 ARG 113 2.320 -5.017 -12.961 891 2HH1 ARG 113 HH1 ARG 113 2.257 -5.209 -11.245 892 1HH2 ARG 113 HH2 ARG 113 1.284 -8.560 -11.347 893 2HH2 ARG 113 HH2 ARG 113 1.669 -7.215 -10.328 894 H GLY 114 HN GLY 114 -2.119 -2.952 -16.244 895 1HA GLY 114 HA2 GLY 114 -0.906 -0.510 -16.167 896 2HA GLY 114 HA1 GLY 114 -2.637 -0.708 -16.394 897 H ASP 115 HN ASP 115 -3.643 -1.411 -14.062 898 HA ASP 115 HA ASP 115 -3.529 0.955 -12.519 899 1HB ASP 115 HB2 ASP 115 -5.139 -1.397 -12.634 900 2HB ASP 115 HB1 ASP 115 -4.631 -1.161 -10.968 901 H ALA 116 HN ALA 116 -2.221 -2.304 -12.007 902 HA ALA 116 HA ALA 116 -1.221 -2.028 -9.443 903 1HB ALA 116 HB1 ALA 116 0.355 -3.796 -10.009 904 2HB ALA 116 HB2 ALA 116 0.051 -3.533 -11.726 905 3HB ALA 116 HB3 ALA 116 -1.237 -4.141 -10.686 906 H PHE 117 HN PHE 117 0.089 -0.865 -12.482 907 HA PHE 117 HA PHE 117 2.632 -0.107 -11.444 908 1HB PHE 117 HB2 PHE 117 2.423 -0.481 -13.808 909 2HB PHE 117 HB1 PHE 117 1.122 0.694 -13.939 910 HD1 PHE 117 HD1 PHE 117 1.573 3.017 -14.149 911 HD2 PHE 117 HD2 PHE 117 4.741 0.263 -13.456 912 HE1 PHE 117 HE1 PHE 117 3.208 4.763 -14.717 913 HE2 PHE 117 HE2 PHE 117 6.384 2.005 -14.020 914 HZ PHE 117 HZ PHE 117 5.619 4.259 -14.653 915 H ASP 118 HN ASP 118 -0.146 1.876 -12.490 916 HA ASP 118 HA ASP 118 0.611 4.349 -11.691 917 1HB ASP 118 HB2 ASP 118 -1.943 2.987 -12.053 918 2HB ASP 118 HB1 ASP 118 -2.040 4.292 -10.873 919 H PHE 119 HN PHE 119 -0.881 1.908 -9.565 920 HA PHE 119 HA PHE 119 -1.029 3.422 -7.242 921 1HB PHE 119 HB2 PHE 119 -2.089 1.441 -6.883 922 2HB PHE 119 HB1 PHE 119 -0.956 0.534 -7.879 923 HD1 PHE 119 HD1 PHE 119 0.823 -0.658 -6.920 924 HD2 PHE 119 HD2 PHE 119 -1.460 2.026 -4.536 925 HE1 PHE 119 HE1 PHE 119 1.901 -1.544 -4.901 926 HE2 PHE 119 HE2 PHE 119 -0.385 1.143 -2.506 927 HZ PHE 119 HZ PHE 119 1.300 -0.646 -2.686 928 H ASN 120 HN ASN 120 1.529 1.049 -7.960 929 HA ASN 120 HA ASN 120 3.256 1.661 -5.926 930 1HB ASN 120 HB2 ASN 120 3.448 -0.172 -7.707 931 2HB ASN 120 HB1 ASN 120 4.254 1.039 -8.700 932 1HD2 ASN 120 HD2 ASN 120 5.918 -0.745 -8.484 933 2HD2 ASN 120 HD2 ASN 120 7.042 -0.593 -7.181 934 H VAL 121 HN VAL 121 3.228 3.153 -9.167 935 HA VAL 121 HA VAL 121 5.367 4.886 -8.841 936 HB VAL 121 HB VAL 121 2.840 5.470 -10.392 937 1HG1 VAL 121 HG1 VAL 121 5.362 6.885 -10.065 938 2HG1 VAL 121 HG1 VAL 121 3.835 7.435 -10.755 939 3HG1 VAL 121 HG1 VAL 121 4.982 6.542 -11.754 940 1HG2 VAL 121 HG2 VAL 121 5.191 3.730 -10.948 941 2HG2 VAL 121 HG2 VAL 121 4.468 4.629 -12.282 942 3HG2 VAL 121 HG2 VAL 121 3.490 3.496 -11.353 943 H SER 122 HN SER 122 1.948 5.414 -8.018 944 HA SER 122 HA SER 122 2.089 8.079 -7.262 945 1HB SER 122 HB2 SER 122 0.025 7.766 -6.159 946 2HB SER 122 HB1 SER 122 0.023 6.560 -7.445 947 HG SER 122 HG SER 122 -0.475 5.328 -5.780 948 H LEU 123 HN LEU 123 2.262 5.260 -5.074 949 HA LEU 123 HA LEU 123 2.839 6.529 -2.720 950 1HB LEU 123 HB2 LEU 123 2.849 3.910 -3.608 951 2HB LEU 123 HB1 LEU 123 4.508 4.162 -3.099 952 HG LEU 123 HG LEU 123 3.745 4.813 -0.870 953 1HD1 LEU 123 HD1 LEU 123 1.128 4.787 -2.210 954 2HD1 LEU 123 HD1 LEU 123 1.696 5.735 -0.835 955 3HD1 LEU 123 HD1 LEU 123 1.161 4.074 -0.597 956 1HD2 LEU 123 HD2 LEU 123 4.121 2.393 -1.595 957 2HD2 LEU 123 HD2 LEU 123 2.364 2.248 -1.583 958 3HD2 LEU 123 HD2 LEU 123 3.225 2.664 -0.101 959 H GLN 124 HN GLN 124 4.950 5.971 -5.434 960 HA GLN 124 HA GLN 124 7.386 6.667 -4.105 961 1HB GLN 124 HB2 GLN 124 7.012 5.272 -6.261 962 2HB GLN 124 HB1 GLN 124 6.955 6.828 -7.075 963 1HG GLN 124 HG2 GLN 124 9.160 6.243 -7.315 964 2HG GLN 124 HG1 GLN 124 9.198 7.252 -5.876 965 1HE2 GLN 124 HE2 GLN 124 11.278 5.641 -6.248 966 2HE2 GLN 124 HE2 GLN 124 11.244 4.312 -5.150 967 H ASP 125 HN ASP 125 5.245 8.362 -6.387 968 HA ASP 125 HA ASP 125 6.604 10.723 -6.703 969 1HB ASP 125 HB2 ASP 125 3.819 9.852 -6.917 970 2HB ASP 125 HB1 ASP 125 3.976 11.561 -6.536 971 H HIS 126 HN HIS 126 4.233 9.993 -4.152 972 HA HIS 126 HA HIS 126 4.660 12.470 -2.795 973 1HB HIS 126 HB2 HIS 126 3.325 9.930 -1.847 974 2HB HIS 126 HB1 HIS 126 3.251 11.486 -1.033 975 HD2 HIS 126 HD2 HIS 126 2.829 12.532 -4.511 976 HE1 HIS 126 HE1 HIS 126 -1.070 11.305 -3.368 977 HE2 HIS 126 HE2 HIS 126 0.316 12.466 -5.123 978 H PHE 127 HN PHE 127 5.764 9.137 -2.304 979 HA PHE 127 HA PHE 127 6.945 9.261 0.150 980 1HB PHE 127 HB2 PHE 127 7.108 7.545 -2.070 981 2HB PHE 127 HB1 PHE 127 8.767 7.945 -1.666 982 HD1 PHE 127 HD1 PHE 127 5.692 7.276 0.338 983 HD2 PHE 127 HD2 PHE 127 9.756 6.297 -0.447 984 HE1 PHE 127 HE1 PHE 127 5.646 5.636 2.170 985 HE2 PHE 127 HE2 PHE 127 9.720 4.653 1.382 986 HZ PHE 127 HZ PHE 127 7.662 4.320 2.694 987 H LYS 128 HN LYS 128 9.024 9.549 -2.713 988 HA LYS 128 HA LYS 128 10.899 11.162 -1.219 989 1HB LYS 128 HB2 LYS 128 12.333 10.976 -3.167 990 2HB LYS 128 HB1 LYS 128 11.680 9.393 -2.759 991 1HG LYS 128 HG2 LYS 128 9.930 10.681 -4.610 992 2HG LYS 128 HG1 LYS 128 11.579 10.740 -5.228 993 1HD LYS 128 HD2 LYS 128 10.648 8.169 -4.082 994 2HD LYS 128 HD1 LYS 128 9.954 8.668 -5.624 995 1HE LYS 128 HE2 LYS 128 12.865 8.257 -4.978 996 2HE LYS 128 HE1 LYS 128 11.863 7.299 -6.064 997 1HZ LYS 128 HZ1 LYS 128 11.594 9.344 -7.426 998 2HZ LYS 128 HZ2 LYS 128 13.177 8.751 -7.380 999 3HZ LYS 128 HZ3 LYS 128 12.754 10.101 -6.455 1000 H TRP 129 HN TRP 129 11.911 13.058 -2.496 1001 HA TRP 129 HA TRP 129 9.730 14.892 -3.083 1002 1HB TRP 129 HB2 TRP 129 12.670 15.282 -2.537 1003 2HB TRP 129 HB1 TRP 129 11.627 16.599 -3.067 1004 HD1 TRP 129 HD1 TRP 129 9.117 16.306 -1.335 1005 HE1 TRP 129 HE1 TRP 129 9.197 16.551 1.226 1006 HE3 TRP 129 HE3 TRP 129 14.081 15.345 -0.584 1007 HZ2 TRP 129 HZ2 TRP 129 11.113 16.363 3.290 1008 HZ3 TRP 129 HZ3 TRP 129 14.958 15.396 1.713 1009 HH2 TRP 129 HH2 TRP 129 13.504 15.896 3.610 1010 H VAL 130 HN VAL 130 9.173 15.478 -5.059 1011 HA VAL 130 HA VAL 130 11.131 15.552 -7.204 1012 HB VAL 130 HB VAL 130 8.590 13.982 -7.634 1013 1HG1 VAL 130 HG1 VAL 130 10.295 13.151 -9.525 1014 2HG1 VAL 130 HG1 VAL 130 10.911 14.786 -9.280 1015 3HG1 VAL 130 HG1 VAL 130 9.225 14.537 -9.737 1016 1HG2 VAL 130 HG2 VAL 130 10.062 12.844 -5.984 1017 2HG2 VAL 130 HG2 VAL 130 11.350 12.845 -7.190 1018 3HG2 VAL 130 HG2 VAL 130 9.862 11.945 -7.488 1019 H LYS 131 HN LYS 131 7.705 15.918 -6.325 1020 HA LYS 131 HA LYS 131 7.334 17.949 -8.367 1021 1HB LYS 131 HB2 LYS 131 4.994 18.051 -7.413 1022 2HB LYS 131 HB1 LYS 131 5.467 16.519 -8.117 1023 1HG LYS 131 HG2 LYS 131 6.128 15.989 -5.604 1024 2HG LYS 131 HG1 LYS 131 4.919 17.232 -5.292 1025 1HD LYS 131 HD2 LYS 131 3.594 15.363 -5.302 1026 2HD LYS 131 HD1 LYS 131 3.506 15.819 -7.006 1027 1HE LYS 131 HE2 LYS 131 5.602 13.920 -6.006 1028 2HE LYS 131 HE1 LYS 131 3.978 13.362 -6.403 1029 1HZ LYS 131 HZ1 LYS 131 5.266 15.006 -8.413 1030 2HZ LYS 131 HZ2 LYS 131 4.333 13.616 -8.596 1031 3HZ LYS 131 HZ3 LYS 131 5.965 13.489 -8.164 1032 H GLN 132 HN GLN 132 9.160 19.106 -7.030 1033 HA GLN 132 HA GLN 132 8.197 20.532 -4.714 1034 1HB GLN 132 HB2 GLN 132 10.667 19.791 -5.437 1035 2HB GLN 132 HB1 GLN 132 10.663 21.413 -6.117 1036 1HG GLN 132 HG2 GLN 132 11.099 22.261 -4.127 1037 2HG GLN 132 HG1 GLN 132 9.605 21.571 -3.494 1038 1HE2 GLN 132 HE2 GLN 132 9.675 19.723 -2.283 1039 2HE2 GLN 132 HE2 GLN 132 11.146 19.008 -1.728 1040 H GLU 133 HN GLU 133 6.387 21.626 -5.569 1041 HA GLU 133 HA GLU 133 7.071 24.142 -6.862 1042 1HB GLU 133 HB2 GLU 133 6.428 22.399 -8.633 1043 2HB GLU 133 HB1 GLU 133 4.802 22.498 -7.972 1044 1HG GLU 133 HG2 GLU 133 5.009 25.022 -8.376 1045 2HG GLU 133 HG1 GLU 133 6.383 24.603 -9.396 Start of MODEL 8 1 1H MET 1 HT1 MET 1 6.363 34.505 0.832 2 2H MET 1 HT2 MET 1 5.377 35.453 1.865 3 3H MET 1 HT3 MET 1 4.668 34.557 0.585 4 HA MET 1 HA MET 1 6.010 33.479 2.975 5 1HB MET 1 HB2 MET 1 3.134 33.340 2.041 6 2HB MET 1 HB1 MET 1 3.777 32.665 3.530 7 1HG MET 1 HG2 MET 1 3.620 34.606 4.610 8 2HG MET 1 HG1 MET 1 4.290 35.517 3.261 9 1HE MET 1 HE1 MET 1 0.317 35.254 4.915 10 2HE MET 1 HE2 MET 1 1.142 36.814 4.917 11 3HE MET 1 HE3 MET 1 1.963 35.380 5.537 12 H ALA 2 HN ALA 2 6.122 31.194 3.073 13 HA ALA 2 HA ALA 2 5.153 29.431 1.138 14 1HB ALA 2 HB1 ALA 2 6.497 29.749 -0.605 15 2HB ALA 2 HB2 ALA 2 7.825 29.144 0.384 16 3HB ALA 2 HB3 ALA 2 7.503 30.876 0.305 17 H ALA 3 HN ALA 3 8.182 29.964 2.947 18 HA ALA 3 HA ALA 3 8.220 27.202 3.802 19 1HB ALA 3 HB1 ALA 3 10.073 29.211 4.964 20 2HB ALA 3 HB2 ALA 3 10.222 28.831 3.248 21 3HB ALA 3 HB3 ALA 3 10.378 27.552 4.453 22 H GLU 4 HN GLU 4 5.905 28.349 4.705 23 HA GLU 4 HA GLU 4 6.266 28.141 7.580 24 1HB GLU 4 HB2 GLU 4 5.131 30.168 8.131 25 2HB GLU 4 HB1 GLU 4 6.424 30.578 7.014 26 1HG GLU 4 HG2 GLU 4 4.995 31.191 5.361 27 2HG GLU 4 HG1 GLU 4 3.753 30.043 5.853 28 H LEU 5 HN LEU 5 4.810 26.960 5.037 29 HA LEU 5 HA LEU 5 2.469 26.128 6.529 30 1HB LEU 5 HB2 LEU 5 2.264 28.187 4.643 31 2HB LEU 5 HB1 LEU 5 1.679 26.761 3.813 32 HG LEU 5 HG LEU 5 0.005 26.395 5.542 33 1HD1 LEU 5 HD1 LEU 5 1.461 28.620 6.891 34 2HD1 LEU 5 HD1 LEU 5 0.838 27.111 7.560 35 3HD1 LEU 5 HD1 LEU 5 -0.270 28.425 7.166 36 1HD2 LEU 5 HD2 LEU 5 -1.453 27.952 4.756 37 2HD2 LEU 5 HD2 LEU 5 -0.147 28.194 3.596 38 3HD2 LEU 5 HD2 LEU 5 -0.319 29.286 4.970 39 H GLU 6 HN GLU 6 3.908 24.235 6.449 40 HA GLU 6 HA GLU 6 3.357 22.660 4.042 41 1HB GLU 6 HB2 GLU 6 5.676 21.665 4.261 42 2HB GLU 6 HB1 GLU 6 5.607 23.316 3.661 43 1HG GLU 6 HG2 GLU 6 6.254 24.177 5.810 44 2HG GLU 6 HG1 GLU 6 6.180 22.564 6.517 45 H TYR 7 HN TYR 7 1.999 21.193 4.847 46 HA TYR 7 HA TYR 7 2.297 20.141 7.513 47 1HB TYR 7 HB2 TYR 7 0.399 19.282 5.319 48 2HB TYR 7 HB1 TYR 7 0.270 18.883 7.029 49 HD1 TYR 7 HD1 TYR 7 1.242 21.881 7.706 50 HD2 TYR 7 HD2 TYR 7 -1.921 20.159 5.439 51 HE1 TYR 7 HE1 TYR 7 -0.111 23.898 8.075 52 HE2 TYR 7 HE2 TYR 7 -3.283 22.173 5.801 53 HH TYR 7 HH TYR 7 -2.069 25.053 6.829 54 H GLU 8 HN GLU 8 3.334 18.343 8.096 55 HA GLU 8 HA GLU 8 4.783 16.837 6.125 56 1HB GLU 8 HB2 GLU 8 5.017 17.339 8.901 57 2HB GLU 8 HB1 GLU 8 4.853 15.599 8.714 58 1HG GLU 8 HG2 GLU 8 6.821 17.207 7.120 59 2HG GLU 8 HG1 GLU 8 7.199 16.545 8.709 60 H SER 9 HN SER 9 3.068 15.926 4.910 61 HA SER 9 HA SER 9 2.227 13.370 5.920 62 1HB SER 9 HB2 SER 9 -0.206 14.386 4.939 63 2HB SER 9 HB1 SER 9 0.182 13.970 6.609 64 HG SER 9 HG SER 9 0.761 16.079 6.989 65 H VAL 10 HN VAL 10 2.305 11.944 4.313 66 HA VAL 10 HA VAL 10 3.068 12.615 1.722 67 HB VAL 10 HB VAL 10 2.611 10.316 1.098 68 1HG1 VAL 10 HG1 VAL 10 3.579 9.513 3.625 69 2HG1 VAL 10 HG1 VAL 10 4.183 11.143 3.331 70 3HG1 VAL 10 HG1 VAL 10 4.503 9.861 2.165 71 1HG2 VAL 10 HG2 VAL 10 1.611 8.793 2.859 72 2HG2 VAL 10 HG2 VAL 10 0.491 9.866 2.033 73 3HG2 VAL 10 HG2 VAL 10 1.036 10.248 3.662 74 H LEU 11 HN LEU 11 -0.207 11.886 2.951 75 HA LEU 11 HA LEU 11 -2.247 12.419 2.180 76 1HB LEU 11 HB2 LEU 11 -2.544 14.339 1.028 77 2HB LEU 11 HB1 LEU 11 -0.875 14.556 1.503 78 HG LEU 11 HG LEU 11 -0.786 13.252 -0.993 79 1HD1 LEU 11 HD1 LEU 11 -2.746 15.542 -1.009 80 2HD1 LEU 11 HD1 LEU 11 -3.121 13.854 -1.350 81 3HD1 LEU 11 HD1 LEU 11 -2.063 14.758 -2.432 82 1HD2 LEU 11 HD2 LEU 11 0.857 14.733 -1.089 83 2HD2 LEU 11 HD2 LEU 11 0.180 15.634 0.268 84 3HD2 LEU 11 HD2 LEU 11 -0.336 15.999 -1.379 85 H CYS 12 HN CYS 12 -1.053 10.040 1.388 86 HA CYS 12 HA CYS 12 -1.705 9.647 -1.416 87 1HB CYS 12 HB2 CYS 12 0.218 8.430 -0.254 88 2HB CYS 12 HB1 CYS 12 -1.017 7.463 0.550 89 HG CYS 12 HG CYS 12 -1.071 6.055 -1.428 90 H VAL 13 HN VAL 13 -3.437 8.569 -2.220 91 HA VAL 13 HA VAL 13 -5.327 7.260 -0.475 92 HB VAL 13 HB VAL 13 -7.240 8.654 -1.048 93 1HG1 VAL 13 HG1 VAL 13 -6.809 10.474 0.398 94 2HG1 VAL 13 HG1 VAL 13 -5.090 10.473 0.008 95 3HG1 VAL 13 HG1 VAL 13 -5.780 9.161 0.955 96 1HG2 VAL 13 HG2 VAL 13 -5.242 10.436 -2.435 97 2HG2 VAL 13 HG2 VAL 13 -6.950 10.800 -2.192 98 3HG2 VAL 13 HG2 VAL 13 -6.474 9.449 -3.222 99 H LYS 14 HN LYS 14 -7.159 6.312 -1.747 100 HA LYS 14 HA LYS 14 -7.105 6.304 -4.575 101 1HB LYS 14 HB2 LYS 14 -5.117 4.708 -3.441 102 2HB LYS 14 HB1 LYS 14 -6.391 3.578 -3.881 103 1HG LYS 14 HG2 LYS 14 -5.277 3.591 -5.844 104 2HG LYS 14 HG1 LYS 14 -6.313 4.988 -6.137 105 1HD LYS 14 HD2 LYS 14 -4.190 5.736 -6.744 106 2HD LYS 14 HD1 LYS 14 -4.397 6.360 -5.111 107 1HE LYS 14 HE2 LYS 14 -3.197 3.688 -5.295 108 2HE LYS 14 HE1 LYS 14 -2.228 4.996 -5.956 109 1HZ LYS 14 HZ1 LYS 14 -2.896 4.405 -3.210 110 2HZ LYS 14 HZ2 LYS 14 -3.031 6.040 -3.623 111 3HZ LYS 14 HZ3 LYS 14 -1.563 5.230 -3.846 112 HA PRO 15 HA PRO 15 -11.085 4.854 -2.971 113 1HB PRO 15 HB2 PRO 15 -12.529 5.654 -5.116 114 2HB PRO 15 HB1 PRO 15 -12.018 6.758 -3.840 115 1HG PRO 15 HG2 PRO 15 -10.805 6.296 -6.532 116 2HG PRO 15 HG1 PRO 15 -11.093 7.827 -5.685 117 1HD PRO 15 HD2 PRO 15 -8.665 6.620 -5.764 118 2HD PRO 15 HD1 PRO 15 -9.202 7.607 -4.390 119 H ASP 16 HN ASP 16 -9.483 4.110 -5.968 120 HA ASP 16 HA ASP 16 -11.122 1.674 -6.201 121 1HB ASP 16 HB2 ASP 16 -9.659 3.026 -8.470 122 2HB ASP 16 HB1 ASP 16 -10.866 1.746 -8.574 123 H VAL 17 HN VAL 17 -9.883 0.261 -5.078 124 HA VAL 17 HA VAL 17 -7.468 -0.656 -6.356 125 HB VAL 17 HB VAL 17 -6.586 1.131 -4.924 126 1HG1 VAL 17 HG1 VAL 17 -6.741 0.228 -2.342 127 2HG1 VAL 17 HG1 VAL 17 -8.357 -0.109 -2.962 128 3HG1 VAL 17 HG1 VAL 17 -7.710 1.529 -3.033 129 1HG2 VAL 17 HG2 VAL 17 -5.351 -1.032 -5.347 130 2HG2 VAL 17 HG2 VAL 17 -5.849 -1.530 -3.729 131 3HG2 VAL 17 HG2 VAL 17 -4.828 -0.107 -3.940 132 H SER 18 HN SER 18 -6.755 -2.709 -5.578 133 HA SER 18 HA SER 18 -8.749 -4.083 -3.897 134 1HB SER 18 HB2 SER 18 -8.750 -4.745 -6.341 135 2HB SER 18 HB1 SER 18 -7.142 -5.412 -6.080 136 HG SER 18 HG SER 18 -9.430 -6.143 -4.573 137 H VAL 19 HN VAL 19 -8.009 -5.398 -2.307 138 HA VAL 19 HA VAL 19 -5.120 -5.796 -2.131 139 HB VAL 19 HB VAL 19 -5.480 -3.919 -0.717 140 1HG1 VAL 19 HG1 VAL 19 -7.183 -4.656 1.311 141 2HG1 VAL 19 HG1 VAL 19 -7.988 -5.260 -0.135 142 3HG1 VAL 19 HG1 VAL 19 -7.556 -3.553 -0.008 143 1HG2 VAL 19 HG2 VAL 19 -3.961 -5.519 0.213 144 2HG2 VAL 19 HG2 VAL 19 -5.287 -6.467 0.886 145 3HG2 VAL 19 HG2 VAL 19 -4.935 -4.862 1.529 146 H TYR 20 HN TYR 20 -4.474 -7.668 -1.110 147 HA TYR 20 HA TYR 20 -6.606 -9.640 -0.672 148 1HB TYR 20 HB2 TYR 20 -3.710 -10.051 -1.456 149 2HB TYR 20 HB1 TYR 20 -4.888 -11.333 -1.218 150 HD1 TYR 20 HD1 TYR 20 -5.022 -12.315 -3.321 151 HD2 TYR 20 HD2 TYR 20 -5.371 -8.088 -3.037 152 HE1 TYR 20 HE1 TYR 20 -5.659 -12.210 -5.690 153 HE2 TYR 20 HE2 TYR 20 -6.018 -7.973 -5.395 154 HH TYR 20 HH TYR 20 -5.554 -9.570 -7.508 155 H ARG 21 HN ARG 21 -6.238 -11.280 0.990 156 HA ARG 21 HA ARG 21 -4.444 -10.403 3.153 157 1HB ARG 21 HB2 ARG 21 -6.860 -9.753 3.538 158 2HB ARG 21 HB1 ARG 21 -7.228 -11.471 3.618 159 1HG ARG 21 HG2 ARG 21 -5.560 -11.641 5.484 160 2HG ARG 21 HG1 ARG 21 -5.481 -9.878 5.473 161 1HD ARG 21 HD2 ARG 21 -8.154 -10.250 5.562 162 2HD ARG 21 HD1 ARG 21 -7.607 -11.678 6.439 163 HE ARG 21 HE ARG 21 -6.214 -9.756 7.652 164 1HH1 ARG 21 HH1 ARG 21 -9.599 -9.931 6.805 165 2HH1 ARG 21 HH1 ARG 21 -10.104 -8.906 8.104 166 1HH2 ARG 21 HH2 ARG 21 -6.880 -8.410 9.360 167 2HH2 ARG 21 HH2 ARG 21 -8.562 -8.043 9.556 168 H ILE 22 HN ILE 22 -3.690 -12.053 4.562 169 HA ILE 22 HA ILE 22 -4.263 -14.823 3.787 170 HB ILE 22 HB ILE 22 -1.444 -13.801 4.145 171 1HG1 ILE 22 HG1 ILE 22 -1.927 -14.885 1.540 172 2HG1 ILE 22 HG1 ILE 22 -3.121 -13.635 1.855 173 1HG2 ILE 22 HG2 ILE 22 -1.095 -15.962 4.623 174 2HG2 ILE 22 HG2 ILE 22 -1.282 -16.216 2.888 175 3HG2 ILE 22 HG2 ILE 22 -2.655 -16.459 3.968 176 1HD1 ILE 22 HD1 ILE 22 -0.351 -12.947 2.557 177 2HD1 ILE 22 HD1 ILE 22 -1.602 -11.983 1.772 178 3HD1 ILE 22 HD1 ILE 22 -0.684 -13.163 0.838 179 HA PRO 23 HA PRO 23 -4.684 -14.192 8.400 180 1HB PRO 23 HB2 PRO 23 -5.726 -16.865 8.390 181 2HB PRO 23 HB1 PRO 23 -6.590 -15.357 8.687 182 1HG PRO 23 HG2 PRO 23 -6.415 -16.964 6.227 183 2HG PRO 23 HG1 PRO 23 -7.642 -15.788 6.720 184 1HD PRO 23 HD2 PRO 23 -5.857 -15.288 4.754 185 2HD PRO 23 HD1 PRO 23 -6.480 -14.010 5.819 186 HA PRO 24 HA PRO 24 -2.122 -18.249 9.017 187 1HB PRO 24 HB2 PRO 24 -1.326 -19.576 6.774 188 2HB PRO 24 HB1 PRO 24 -2.819 -19.950 7.643 189 1HG PRO 24 HG2 PRO 24 -2.424 -18.293 5.180 190 2HG PRO 24 HG1 PRO 24 -3.675 -19.501 5.527 191 1HD PRO 24 HD2 PRO 24 -4.144 -16.859 5.738 192 2HD PRO 24 HD1 PRO 24 -4.908 -18.038 6.822 193 H ARG 25 HN ARG 25 0.187 -19.075 7.908 194 HA ARG 25 HA ARG 25 1.653 -17.136 6.492 195 1HB ARG 25 HB2 ARG 25 1.352 -15.855 8.592 196 2HB ARG 25 HB1 ARG 25 2.149 -17.149 9.475 197 1HG ARG 25 HG2 ARG 25 4.070 -16.104 9.126 198 2HG ARG 25 HG1 ARG 25 3.907 -16.489 7.411 199 1HD ARG 25 HD2 ARG 25 4.143 -14.204 7.331 200 2HD ARG 25 HD1 ARG 25 2.389 -14.364 7.386 201 HE ARG 25 HE ARG 25 3.994 -13.828 9.800 202 1HH1 ARG 25 HH1 ARG 25 1.280 -13.094 7.716 203 2HH1 ARG 25 HH1 ARG 25 0.626 -11.907 8.790 204 1HH2 ARG 25 HH2 ARG 25 3.127 -12.264 11.200 205 2HH2 ARG 25 HH2 ARG 25 1.671 -11.434 10.763 206 H ALA 26 HN ALA 26 1.976 -19.302 5.574 207 HA ALA 26 HA ALA 26 3.584 -21.193 7.027 208 1HB ALA 26 HB1 ALA 26 2.293 -22.337 5.546 209 2HB ALA 26 HB2 ALA 26 3.728 -22.128 4.543 210 3HB ALA 26 HB3 ALA 26 2.347 -21.052 4.344 211 H SER 27 HN SER 27 4.655 -18.466 6.610 212 HA SER 27 HA SER 27 7.334 -19.085 6.162 213 1HB SER 27 HB2 SER 27 6.085 -19.032 3.753 214 2HB SER 27 HB1 SER 27 6.544 -17.336 3.909 215 HG SER 27 HG SER 27 8.228 -18.442 2.943 216 H ASN 28 HN ASN 28 8.498 -17.552 7.154 217 HA ASN 28 HA ASN 28 7.441 -15.495 8.599 218 1HB ASN 28 HB2 ASN 28 10.109 -16.273 7.738 219 2HB ASN 28 HB1 ASN 28 9.964 -14.529 7.923 220 1HD2 ASN 28 HD2 ASN 28 11.653 -15.445 9.581 221 2HD2 ASN 28 HD2 ASN 28 11.025 -15.671 11.175 222 H ARG 29 HN ARG 29 8.391 -15.440 5.230 223 HA ARG 29 HA ARG 29 6.996 -12.902 4.903 224 1HB ARG 29 HB2 ARG 29 8.908 -12.071 3.453 225 2HB ARG 29 HB1 ARG 29 9.197 -12.071 5.187 226 1HG ARG 29 HG2 ARG 29 10.293 -14.356 4.801 227 2HG ARG 29 HG1 ARG 29 10.306 -13.904 3.096 228 1HD ARG 29 HD2 ARG 29 11.383 -11.699 3.998 229 2HD ARG 29 HD1 ARG 29 11.777 -12.695 5.396 230 HE ARG 29 HE ARG 29 13.195 -13.994 4.052 231 1HH1 ARG 29 HH1 ARG 29 11.695 -11.411 2.240 232 2HH1 ARG 29 HH1 ARG 29 12.819 -11.514 0.929 233 1HH2 ARG 29 HH2 ARG 29 14.670 -14.126 2.320 234 2HH2 ARG 29 HH2 ARG 29 14.503 -13.052 0.971 235 H GLY 30 HN GLY 30 6.375 -12.470 2.707 236 1HA GLY 30 HA2 GLY 30 5.577 -14.783 1.292 237 2HA GLY 30 HA1 GLY 30 5.469 -13.133 0.700 238 H TYR 31 HN TYR 31 6.194 -15.577 -0.725 239 HA TYR 31 HA TYR 31 8.425 -14.557 -2.172 240 1HB TYR 31 HB2 TYR 31 9.230 -15.931 0.014 241 2HB TYR 31 HB1 TYR 31 9.083 -17.255 -1.135 242 HD1 TYR 31 HD1 TYR 31 10.167 -16.617 -3.546 243 HD2 TYR 31 HD2 TYR 31 11.314 -14.988 0.214 244 HE1 TYR 31 HE1 TYR 31 12.380 -16.066 -4.465 245 HE2 TYR 31 HE2 TYR 31 13.530 -14.432 -0.696 246 HH TYR 31 HH TYR 31 14.602 -14.045 -2.821 247 H ARG 32 HN ARG 32 8.141 -15.143 -4.233 248 HA ARG 32 HA ARG 32 7.427 -16.239 -6.091 249 1HB ARG 32 HB2 ARG 32 7.333 -18.618 -4.225 250 2HB ARG 32 HB1 ARG 32 7.136 -18.709 -5.969 251 1HG ARG 32 HG2 ARG 32 9.536 -17.275 -5.348 252 2HG ARG 32 HG1 ARG 32 9.519 -18.816 -4.490 253 1HD ARG 32 HD2 ARG 32 8.635 -19.004 -7.269 254 2HD ARG 32 HD1 ARG 32 10.297 -18.443 -7.090 255 HE ARG 32 HE ARG 32 9.418 -21.078 -6.787 256 1HH1 ARG 32 HH1 ARG 32 11.475 -18.767 -5.161 257 2HH1 ARG 32 HH1 ARG 32 12.481 -19.980 -4.447 258 1HH2 ARG 32 HH2 ARG 32 10.756 -22.670 -5.857 259 2HH2 ARG 32 HH2 ARG 32 12.077 -22.191 -4.844 260 H ALA 33 HN ALA 33 5.569 -14.754 -5.605 261 HA ALA 33 HA ALA 33 3.183 -15.588 -4.436 262 1HB ALA 33 HB1 ALA 33 4.088 -13.295 -5.631 263 2HB ALA 33 HB2 ALA 33 2.456 -13.563 -5.021 264 3HB ALA 33 HB3 ALA 33 2.813 -13.824 -6.728 265 H SER 34 HN SER 34 4.352 -15.981 -7.750 266 HA SER 34 HA SER 34 2.039 -16.894 -8.980 267 1HB SER 34 HB2 SER 34 4.890 -16.978 -9.523 268 2HB SER 34 HB1 SER 34 4.104 -18.464 -10.054 269 HG SER 34 HG SER 34 3.474 -17.345 -11.705 270 H ASP 35 HN ASP 35 4.064 -18.423 -6.647 271 HA ASP 35 HA ASP 35 2.794 -21.024 -7.066 272 1HB ASP 35 HB2 ASP 35 5.385 -20.342 -6.368 273 2HB ASP 35 HB1 ASP 35 4.677 -20.848 -4.837 274 H TRP 36 HN TRP 36 2.701 -18.268 -4.988 275 HA TRP 36 HA TRP 36 1.484 -19.601 -2.769 276 1HB TRP 36 HB2 TRP 36 2.784 -17.277 -2.951 277 2HB TRP 36 HB1 TRP 36 1.145 -16.669 -3.147 278 HD1 TRP 36 HD1 TRP 36 0.906 -15.478 -0.848 279 HE1 TRP 36 HE1 TRP 36 0.834 -16.281 1.594 280 HE3 TRP 36 HE3 TRP 36 2.438 -20.318 -1.524 281 HZ2 TRP 36 HZ2 TRP 36 1.350 -18.643 3.042 282 HZ3 TRP 36 HZ3 TRP 36 2.618 -21.777 0.441 283 HH2 TRP 36 HH2 TRP 36 2.088 -20.959 2.673 284 H LYS 37 HN LYS 37 0.275 -17.593 -5.438 285 HA LYS 37 HA LYS 37 -1.822 -17.350 -6.309 286 1HB LYS 37 HB2 LYS 37 -1.524 -20.048 -5.741 287 2HB LYS 37 HB1 LYS 37 -3.058 -19.643 -4.988 288 1HG LYS 37 HG2 LYS 37 -2.439 -18.922 -7.835 289 2HG LYS 37 HG1 LYS 37 -3.116 -20.487 -7.381 290 1HD LYS 37 HD2 LYS 37 -4.353 -17.804 -6.775 291 2HD LYS 37 HD1 LYS 37 -4.854 -18.890 -8.066 292 1HE LYS 37 HE2 LYS 37 -4.747 -20.189 -5.459 293 2HE LYS 37 HE1 LYS 37 -5.870 -18.834 -5.507 294 1HZ LYS 37 HZ1 LYS 37 -6.161 -20.411 -7.831 295 2HZ LYS 37 HZ2 LYS 37 -7.304 -20.061 -6.635 296 3HZ LYS 37 HZ3 LYS 37 -6.281 -21.397 -6.462 297 H LEU 38 HN LEU 38 -3.883 -16.523 -5.779 298 HA LEU 38 HA LEU 38 -5.056 -16.665 -3.232 299 1HB LEU 38 HB2 LEU 38 -4.555 -14.007 -2.961 300 2HB LEU 38 HB1 LEU 38 -3.715 -15.277 -2.099 301 HG LEU 38 HG LEU 38 -2.423 -14.852 -4.630 302 1HD1 LEU 38 HD1 LEU 38 -1.584 -12.524 -4.035 303 2HD1 LEU 38 HD1 LEU 38 -3.017 -12.396 -3.017 304 3HD1 LEU 38 HD1 LEU 38 -3.189 -12.647 -4.754 305 1HD2 LEU 38 HD2 LEU 38 -0.649 -15.274 -3.354 306 2HD2 LEU 38 HD2 LEU 38 -1.763 -15.463 -2.001 307 3HD2 LEU 38 HD2 LEU 38 -0.994 -13.905 -2.299 308 H ASP 39 HN ASP 39 -6.403 -17.075 -5.316 309 HA ASP 39 HA ASP 39 -7.489 -14.710 -6.566 310 1HB ASP 39 HB2 ASP 39 -8.828 -16.222 -7.876 311 2HB ASP 39 HB1 ASP 39 -7.197 -16.878 -7.780 312 H GLN 40 HN GLN 40 -8.119 -16.471 -3.736 313 HA GLN 40 HA GLN 40 -10.934 -15.749 -3.635 314 1HB GLN 40 HB2 GLN 40 -9.287 -17.728 -2.376 315 2HB GLN 40 HB1 GLN 40 -10.074 -16.764 -1.134 316 1HG GLN 40 HG2 GLN 40 -11.978 -17.834 -1.447 317 2HG GLN 40 HG1 GLN 40 -11.978 -17.411 -3.158 318 1HE2 GLN 40 HE2 GLN 40 -11.721 -18.982 -4.596 319 2HE2 GLN 40 HE2 GLN 40 -11.240 -20.602 -4.237 320 HA PRO 41 HA PRO 41 -9.402 -13.112 0.077 321 1HB PRO 41 HB2 PRO 41 -6.722 -12.991 0.551 322 2HB PRO 41 HB1 PRO 41 -7.786 -14.174 1.315 323 1HG PRO 41 HG2 PRO 41 -5.964 -14.494 -1.034 324 2HG PRO 41 HG1 PRO 41 -6.270 -15.611 0.309 325 1HD PRO 41 HD2 PRO 41 -7.395 -15.917 -2.135 326 2HD PRO 41 HD1 PRO 41 -8.202 -16.422 -0.639 327 H ASP 42 HN ASP 42 -9.979 -11.397 -1.209 328 HA ASP 42 HA ASP 42 -7.988 -9.535 -1.932 329 1HB ASP 42 HB2 ASP 42 -8.525 -9.501 -4.410 330 2HB ASP 42 HB1 ASP 42 -7.535 -10.838 -3.850 331 H TRP 43 HN TRP 43 -9.612 -8.535 -0.447 332 HA TRP 43 HA TRP 43 -12.237 -8.013 -1.419 333 1HB TRP 43 HB2 TRP 43 -12.175 -6.257 0.518 334 2HB TRP 43 HB1 TRP 43 -12.201 -7.970 0.888 335 HD1 TRP 43 HD1 TRP 43 -9.601 -9.016 1.449 336 HE1 TRP 43 HE1 TRP 43 -7.807 -7.923 2.932 337 HE3 TRP 43 HE3 TRP 43 -11.250 -4.178 1.291 338 HZ2 TRP 43 HZ2 TRP 43 -7.174 -5.352 3.913 339 HZ3 TRP 43 HZ3 TRP 43 -9.996 -2.465 2.534 340 HH2 TRP 43 HH2 TRP 43 -8.001 -3.042 3.818 341 H THR 44 HN THR 44 -13.090 -5.761 -1.698 342 HA THR 44 HA THR 44 -11.120 -4.087 -3.116 343 HB THR 44 HB THR 44 -12.637 -5.200 -4.705 344 HG1 THR 44 HG1 THR 44 -12.799 -3.429 -5.850 345 1HG2 THR 44 HG2 THR 44 -15.029 -4.075 -4.679 346 2HG2 THR 44 HG2 THR 44 -14.736 -4.088 -2.940 347 3HG2 THR 44 HG2 THR 44 -14.698 -5.596 -3.852 348 H GLY 45 HN GLY 45 -11.129 -1.933 -2.726 349 1HA GLY 45 HA2 GLY 45 -13.253 -0.433 -1.682 350 2HA GLY 45 HA1 GLY 45 -12.268 -0.985 -0.333 351 H ARG 46 HN ARG 46 -11.947 1.358 -0.011 352 HA ARG 46 HA ARG 46 -10.001 2.503 -1.887 353 1HB ARG 46 HB2 ARG 46 -11.807 4.011 -1.533 354 2HB ARG 46 HB1 ARG 46 -11.760 3.772 0.206 355 1HG ARG 46 HG2 ARG 46 -9.283 4.804 -0.997 356 2HG ARG 46 HG1 ARG 46 -10.673 5.887 -1.055 357 1HD ARG 46 HD2 ARG 46 -10.893 5.115 1.472 358 2HD ARG 46 HD1 ARG 46 -9.164 4.840 1.276 359 HE ARG 46 HE ARG 46 -8.834 7.119 1.067 360 1HH1 ARG 46 HH1 ARG 46 -12.252 6.405 1.200 361 2HH1 ARG 46 HH1 ARG 46 -12.710 8.055 1.446 362 1HH2 ARG 46 HH2 ARG 46 -9.449 9.293 1.401 363 2HH2 ARG 46 HH2 ARG 46 -11.128 9.688 1.565 364 H LEU 47 HN LEU 47 -7.966 2.930 -1.295 365 HA LEU 47 HA LEU 47 -7.235 2.443 1.514 366 1HB LEU 47 HB2 LEU 47 -6.519 0.581 0.080 367 2HB LEU 47 HB1 LEU 47 -5.650 1.709 -0.945 368 HG LEU 47 HG LEU 47 -4.606 2.216 1.565 369 1HD1 LEU 47 HD1 LEU 47 -4.806 -0.771 1.249 370 2HD1 LEU 47 HD1 LEU 47 -5.808 0.170 2.353 371 3HD1 LEU 47 HD1 LEU 47 -4.059 0.127 2.570 372 1HD2 LEU 47 HD2 LEU 47 -2.593 1.374 0.674 373 2HD2 LEU 47 HD2 LEU 47 -3.506 1.979 -0.708 374 3HD2 LEU 47 HD2 LEU 47 -3.440 0.246 -0.384 375 H ARG 48 HN ARG 48 -5.726 3.806 2.416 376 HA ARG 48 HA ARG 48 -4.312 5.713 0.804 377 1HB ARG 48 HB2 ARG 48 -5.342 7.701 1.650 378 2HB ARG 48 HB1 ARG 48 -6.581 6.699 0.923 379 1HG ARG 48 HG2 ARG 48 -7.344 6.003 3.104 380 2HG ARG 48 HG1 ARG 48 -6.036 6.905 3.878 381 1HD ARG 48 HD2 ARG 48 -7.166 8.830 2.331 382 2HD ARG 48 HD1 ARG 48 -8.567 7.849 2.726 383 HE ARG 48 HE ARG 48 -6.817 9.097 4.734 384 1HH1 ARG 48 HH1 ARG 48 -9.951 7.929 3.707 385 2HH1 ARG 48 HH1 ARG 48 -10.780 8.615 5.060 386 1HH2 ARG 48 HH2 ARG 48 -7.925 9.999 6.503 387 2HH2 ARG 48 HH2 ARG 48 -9.639 9.787 6.640 388 H ILE 49 HN ILE 49 -3.188 7.376 2.270 389 HA ILE 49 HA ILE 49 -2.706 6.434 4.963 390 HB ILE 49 HB ILE 49 -0.354 6.091 4.763 391 1HG1 ILE 49 HG1 ILE 49 -0.467 6.503 1.789 392 2HG1 ILE 49 HG1 ILE 49 -0.115 7.843 2.875 393 1HG2 ILE 49 HG2 ILE 49 -1.759 4.642 2.525 394 2HG2 ILE 49 HG2 ILE 49 -1.771 4.184 4.224 395 3HG2 ILE 49 HG2 ILE 49 -0.266 4.132 3.310 396 1HD1 ILE 49 HD1 ILE 49 1.976 7.063 2.228 397 2HD1 ILE 49 HD1 ILE 49 1.485 5.374 2.342 398 3HD1 ILE 49 HD1 ILE 49 1.728 6.323 3.809 399 H THR 50 HN THR 50 -1.449 7.921 6.237 400 HA THR 50 HA THR 50 -0.734 10.495 5.178 401 HB THR 50 HB THR 50 -2.425 11.514 6.995 402 HG1 THR 50 HG1 THR 50 -4.422 10.366 6.768 403 1HG2 THR 50 HG2 THR 50 -3.298 12.534 5.240 404 2HG2 THR 50 HG2 THR 50 -4.020 11.033 4.662 405 3HG2 THR 50 HG2 THR 50 -2.369 11.450 4.204 406 H SER 51 HN SER 51 -0.057 12.001 6.986 407 HA SER 51 HA SER 51 0.734 10.554 9.408 408 1HB SER 51 HB2 SER 51 2.962 12.099 8.952 409 2HB SER 51 HB1 SER 51 2.839 10.373 8.628 410 HG SER 51 HG SER 51 1.867 11.387 6.499 411 H LYS 52 HN LYS 52 0.371 11.668 11.194 412 HA LYS 52 HA LYS 52 -0.860 14.180 11.187 413 1HB LYS 52 HB2 LYS 52 -0.316 12.179 13.062 414 2HB LYS 52 HB1 LYS 52 0.466 13.617 13.701 415 1HG LYS 52 HG2 LYS 52 -1.766 14.793 13.260 416 2HG LYS 52 HG1 LYS 52 -2.433 13.167 13.103 417 1HD LYS 52 HD2 LYS 52 -0.775 13.398 15.460 418 2HD LYS 52 HD1 LYS 52 -2.056 14.610 15.460 419 1HE LYS 52 HE2 LYS 52 -2.407 11.631 15.134 420 2HE LYS 52 HE1 LYS 52 -2.802 12.579 16.566 421 1HZ LYS 52 HZ1 LYS 52 -4.517 11.975 14.563 422 2HZ LYS 52 HZ2 LYS 52 -4.055 13.554 14.169 423 3HZ LYS 52 HZ3 LYS 52 -4.730 13.225 15.684 424 H GLY 53 HN GLY 53 2.421 13.349 12.330 425 1HA GLY 53 HA2 GLY 53 3.594 15.660 11.152 426 2HA GLY 53 HA1 GLY 53 3.319 15.913 12.869 427 H LYS 54 HN LYS 54 4.106 13.964 14.259 428 HA LYS 54 HA LYS 54 6.863 13.453 13.442 429 1HB LYS 54 HB2 LYS 54 5.564 12.882 16.110 430 2HB LYS 54 HB1 LYS 54 7.285 12.877 15.749 431 1HG LYS 54 HG2 LYS 54 7.382 14.998 16.357 432 2HG LYS 54 HG1 LYS 54 6.332 15.410 15.000 433 1HD LYS 54 HD2 LYS 54 4.424 15.417 16.310 434 2HD LYS 54 HD1 LYS 54 5.143 14.377 17.541 435 1HE LYS 54 HE2 LYS 54 5.109 16.449 18.579 436 2HE LYS 54 HE1 LYS 54 6.751 16.359 17.942 437 1HZ LYS 54 HZ1 LYS 54 6.390 18.089 16.610 438 2HZ LYS 54 HZ2 LYS 54 4.999 18.389 17.524 439 3HZ LYS 54 HZ3 LYS 54 4.890 17.507 16.085 440 H ILE 55 HN ILE 55 3.850 11.889 13.556 441 HA ILE 55 HA ILE 55 5.175 9.297 13.202 442 HB ILE 55 HB ILE 55 3.887 9.562 15.380 443 1HG1 ILE 55 HG1 ILE 55 2.529 7.278 14.325 444 2HG1 ILE 55 HG1 ILE 55 4.120 7.381 13.580 445 1HG2 ILE 55 HG2 ILE 55 1.583 9.565 13.454 446 2HG2 ILE 55 HG2 ILE 55 1.941 10.715 14.742 447 3HG2 ILE 55 HG2 ILE 55 1.419 9.078 15.140 448 1HD1 ILE 55 HD1 ILE 55 3.607 6.196 15.948 449 2HD1 ILE 55 HD1 ILE 55 4.110 7.803 16.471 450 3HD1 ILE 55 HD1 ILE 55 5.178 6.830 15.459 451 H ALA 56 HN ALA 56 3.264 7.724 12.225 452 HA ALA 56 HA ALA 56 1.745 9.092 10.174 453 1HB ALA 56 HB1 ALA 56 2.737 7.784 8.353 454 2HB ALA 56 HB2 ALA 56 3.904 7.095 9.481 455 3HB ALA 56 HB3 ALA 56 3.936 8.822 9.125 456 H TYR 57 HN TYR 57 0.253 7.629 9.079 457 HA TYR 57 HA TYR 57 0.001 4.927 9.999 458 1HB TYR 57 HB2 TYR 57 -2.119 5.155 11.165 459 2HB TYR 57 HB1 TYR 57 -0.899 6.158 11.943 460 HD1 TYR 57 HD1 TYR 57 -3.689 6.321 9.487 461 HD2 TYR 57 HD2 TYR 57 -1.325 8.414 12.336 462 HE1 TYR 57 HE1 TYR 57 -5.172 8.271 9.275 463 HE2 TYR 57 HE2 TYR 57 -2.800 10.370 12.133 464 HH TYR 57 HH TYR 57 -5.247 10.767 11.438 465 H ILE 58 HN ILE 58 -1.577 3.736 8.878 466 HA ILE 58 HA ILE 58 -2.474 5.057 6.416 467 HB ILE 58 HB ILE 58 -2.546 2.891 5.386 468 1HG1 ILE 58 HG1 ILE 58 -1.415 1.079 7.141 469 2HG1 ILE 58 HG1 ILE 58 -2.542 1.966 8.162 470 1HG2 ILE 58 HG2 ILE 58 -0.250 2.432 5.286 471 2HG2 ILE 58 HG2 ILE 58 0.008 2.917 6.962 472 3HG2 ILE 58 HG2 ILE 58 -0.348 4.135 5.737 473 1HD1 ILE 58 HD1 ILE 58 -4.381 1.261 6.965 474 2HD1 ILE 58 HD1 ILE 58 -3.335 -0.158 6.929 475 3HD1 ILE 58 HD1 ILE 58 -3.434 0.901 5.522 476 H LYS 59 HN LYS 59 -4.568 5.275 5.942 477 HA LYS 59 HA LYS 59 -6.508 3.991 7.745 478 1HB LYS 59 HB2 LYS 59 -6.193 6.705 6.968 479 2HB LYS 59 HB1 LYS 59 -7.697 6.127 6.262 480 1HG LYS 59 HG2 LYS 59 -7.545 5.221 8.960 481 2HG LYS 59 HG1 LYS 59 -7.205 6.951 8.916 482 1HD LYS 59 HD2 LYS 59 -9.481 6.019 7.276 483 2HD LYS 59 HD1 LYS 59 -9.691 5.933 9.026 484 1HE LYS 59 HE2 LYS 59 -8.539 8.436 7.974 485 2HE LYS 59 HE1 LYS 59 -10.225 8.129 7.559 486 1HZ LYS 59 HZ1 LYS 59 -9.007 8.544 10.205 487 2HZ LYS 59 HZ2 LYS 59 -10.429 7.645 10.075 488 3HZ LYS 59 HZ3 LYS 59 -10.398 9.246 9.544 489 H LEU 60 HN LEU 60 -8.103 2.777 6.943 490 HA LEU 60 HA LEU 60 -8.601 2.778 4.067 491 1HB LEU 60 HB2 LEU 60 -8.392 0.421 3.834 492 2HB LEU 60 HB1 LEU 60 -6.912 1.010 4.564 493 HG LEU 60 HG LEU 60 -8.653 0.282 6.682 494 1HD1 LEU 60 HD1 LEU 60 -9.908 -1.348 5.837 495 2HD1 LEU 60 HD1 LEU 60 -8.425 -2.292 5.720 496 3HD1 LEU 60 HD1 LEU 60 -9.000 -1.378 4.326 497 1HD2 LEU 60 HD2 LEU 60 -6.776 -0.673 7.462 498 2HD2 LEU 60 HD2 LEU 60 -6.005 0.114 6.086 499 3HD2 LEU 60 HD2 LEU 60 -6.497 -1.575 5.972 500 H GLU 61 HN GLU 61 -10.605 1.826 3.474 501 HA GLU 61 HA GLU 61 -12.478 0.719 5.194 502 1HB GLU 61 HB2 GLU 61 -14.035 2.797 5.294 503 2HB GLU 61 HB1 GLU 61 -12.751 2.630 6.482 504 1HG GLU 61 HG2 GLU 61 -12.557 4.831 5.879 505 2HG GLU 61 HG1 GLU 61 -11.377 4.067 4.816 506 H ASP 62 HN ASP 62 -14.852 1.389 4.264 507 HA ASP 62 HA ASP 62 -14.733 0.577 1.509 508 1HB ASP 62 HB2 ASP 62 -16.377 -0.221 3.316 509 2HB ASP 62 HB1 ASP 62 -17.217 1.303 3.057 510 H LYS 63 HN LYS 63 -14.531 1.980 -0.115 511 HA LYS 63 HA LYS 63 -14.805 4.778 0.167 512 1HB LYS 63 HB2 LYS 63 -13.386 3.532 -1.521 513 2HB LYS 63 HB1 LYS 63 -14.855 3.263 -2.435 514 1HG LYS 63 HG2 LYS 63 -13.581 5.151 -3.300 515 2HG LYS 63 HG1 LYS 63 -15.163 5.651 -2.709 516 1HD LYS 63 HD2 LYS 63 -14.065 6.349 -0.578 517 2HD LYS 63 HD1 LYS 63 -12.507 5.998 -1.326 518 1HE LYS 63 HE2 LYS 63 -12.694 7.752 -2.835 519 2HE LYS 63 HE1 LYS 63 -14.448 7.818 -2.690 520 1HZ LYS 63 HZ1 LYS 63 -13.565 9.696 -1.585 521 2HZ LYS 63 HZ2 LYS 63 -12.435 8.771 -0.730 522 3HZ LYS 63 HZ3 LYS 63 -14.084 8.636 -0.372 523 H VAL 64 HN VAL 64 -17.272 2.678 0.267 524 HA VAL 64 HA VAL 64 -19.046 3.906 -1.620 525 HB VAL 64 HB VAL 64 -19.619 1.967 0.627 526 1HG1 VAL 64 HG1 VAL 64 -21.585 1.685 -1.295 527 2HG1 VAL 64 HG1 VAL 64 -21.373 3.430 -1.171 528 3HG1 VAL 64 HG1 VAL 64 -21.763 2.487 0.267 529 1HG2 VAL 64 HG2 VAL 64 -18.570 1.673 -2.081 530 2HG2 VAL 64 HG2 VAL 64 -19.962 0.645 -1.749 531 3HG2 VAL 64 HG2 VAL 64 -18.531 0.551 -0.722 532 H SER 65 HN SER 65 -18.782 3.895 1.938 533 HA SER 65 HA SER 65 -19.650 6.605 2.104 534 1HB SER 65 HB2 SER 65 -21.640 4.423 2.607 535 2HB SER 65 HB1 SER 65 -21.719 5.907 3.556 536 HG SER 65 HG SER 65 -21.671 5.841 0.721 537 H GLY 66 HN GLY 66 -18.892 3.570 3.672 538 1HA GLY 66 HA2 GLY 66 -17.227 3.663 5.450 539 2HA GLY 66 HA1 GLY 66 -18.025 5.111 6.034 540 H GLU 67 HN GLU 67 -17.407 2.401 7.227 541 HA GLU 67 HA GLU 67 -19.680 2.186 8.874 542 1HB GLU 67 HB2 GLU 67 -19.664 0.533 6.435 543 2HB GLU 67 HB1 GLU 67 -20.000 -0.344 7.919 544 1HG GLU 67 HG2 GLU 67 -21.554 2.015 7.966 545 2HG GLU 67 HG1 GLU 67 -21.737 1.286 6.371 546 H LEU 68 HN LEU 68 -17.788 -0.503 7.523 547 HA LEU 68 HA LEU 68 -17.131 -1.668 9.945 548 1HB LEU 68 HB2 LEU 68 -15.188 -1.771 7.669 549 2HB LEU 68 HB1 LEU 68 -15.639 -3.037 8.791 550 HG LEU 68 HG LEU 68 -17.677 -2.022 6.852 551 1HD1 LEU 68 HD1 LEU 68 -15.187 -3.400 6.179 552 2HD1 LEU 68 HD1 LEU 68 -16.317 -2.522 5.148 553 3HD1 LEU 68 HD1 LEU 68 -16.642 -4.199 5.584 554 1HD2 LEU 68 HD2 LEU 68 -17.377 -4.879 7.449 555 2HD2 LEU 68 HD2 LEU 68 -18.822 -3.869 7.425 556 3HD2 LEU 68 HD2 LEU 68 -17.770 -3.869 8.841 557 H PHE 69 HN PHE 69 -14.828 0.182 7.935 558 HA PHE 69 HA PHE 69 -13.217 1.688 8.499 559 1HB PHE 69 HB2 PHE 69 -15.031 2.387 10.231 560 2HB PHE 69 HB1 PHE 69 -14.007 1.549 11.391 561 HD1 PHE 69 HD1 PHE 69 -13.613 4.006 8.611 562 HD2 PHE 69 HD2 PHE 69 -12.538 2.840 12.559 563 HE1 PHE 69 HE1 PHE 69 -12.214 6.019 8.821 564 HE2 PHE 69 HE2 PHE 69 -11.139 4.849 12.778 565 HZ PHE 69 HZ PHE 69 -10.977 6.439 10.913 566 H ALA 70 HN ALA 70 -11.097 1.400 8.861 567 HA ALA 70 HA ALA 70 -10.002 -0.153 10.953 568 1HB ALA 70 HB1 ALA 70 -10.772 -2.084 9.799 569 2HB ALA 70 HB2 ALA 70 -9.038 -1.970 9.502 570 3HB ALA 70 HB3 ALA 70 -10.180 -1.476 8.253 571 H GLN 71 HN GLN 71 -7.670 -0.226 10.877 572 HA GLN 71 HA GLN 71 -6.229 0.959 8.723 573 1HB GLN 71 HB2 GLN 71 -5.380 2.909 10.130 574 2HB GLN 71 HB1 GLN 71 -6.990 3.062 9.446 575 1HG GLN 71 HG2 GLN 71 -7.970 3.136 11.454 576 2HG GLN 71 HG1 GLN 71 -6.904 1.907 12.137 577 1HE2 GLN 71 HE2 GLN 71 -4.456 2.942 11.912 578 2HE2 GLN 71 HE2 GLN 71 -4.317 4.417 12.800 579 H ALA 72 HN ALA 72 -3.904 1.551 9.559 580 HA ALA 72 HA ALA 72 -3.065 -0.248 11.704 581 1HB ALA 72 HB1 ALA 72 -1.349 -1.286 10.315 582 2HB ALA 72 HB2 ALA 72 -1.915 -0.373 8.916 583 3HB ALA 72 HB3 ALA 72 -2.957 -1.588 9.657 584 HA PRO 73 HA PRO 73 -0.850 3.739 12.037 585 1HB PRO 73 HB2 PRO 73 -0.386 3.521 14.709 586 2HB PRO 73 HB1 PRO 73 -1.902 4.135 14.037 587 1HG PRO 73 HG2 PRO 73 -1.256 1.402 15.072 588 2HG PRO 73 HG1 PRO 73 -2.714 2.381 15.328 589 1HD PRO 73 HD2 PRO 73 -2.620 0.362 13.532 590 2HD PRO 73 HD1 PRO 73 -3.603 1.817 13.274 591 H VAL 74 HN VAL 74 1.339 4.254 12.476 592 HA VAL 74 HA VAL 74 3.101 2.009 13.113 593 HB VAL 74 HB VAL 74 4.677 2.671 11.323 594 1HG1 VAL 74 HG1 VAL 74 1.961 1.607 10.717 595 2HG1 VAL 74 HG1 VAL 74 3.512 0.767 10.768 596 3HG1 VAL 74 HG1 VAL 74 3.127 1.833 9.417 597 1HG2 VAL 74 HG2 VAL 74 4.395 4.491 10.085 598 2HG2 VAL 74 HG2 VAL 74 3.001 4.889 11.082 599 3HG2 VAL 74 HG2 VAL 74 2.782 3.969 9.597 600 H GLU 75 HN GLU 75 5.325 2.711 13.489 601 HA GLU 75 HA GLU 75 5.411 4.864 15.338 602 1HB GLU 75 HB2 GLU 75 6.707 2.613 15.333 603 2HB GLU 75 HB1 GLU 75 7.818 3.430 14.243 604 1HG GLU 75 HG2 GLU 75 8.827 3.790 16.260 605 2HG GLU 75 HG1 GLU 75 7.855 5.253 16.100 606 H GLN 76 HN GLN 76 5.694 4.748 11.981 607 HA GLN 76 HA GLN 76 6.291 6.275 10.424 608 1HB GLN 76 HB2 GLN 76 5.187 7.848 12.015 609 2HB GLN 76 HB1 GLN 76 6.755 8.149 12.745 610 1HG GLN 76 HG2 GLN 76 6.405 8.552 9.814 611 2HG GLN 76 HG1 GLN 76 5.793 9.761 10.943 612 1HE2 GLN 76 HE2 GLN 76 7.523 10.851 9.479 613 2HE2 GLN 76 HE2 GLN 76 9.099 10.947 10.177 614 H TYR 77 HN TYR 77 8.111 6.603 9.309 615 HA TYR 77 HA TYR 77 10.384 7.271 9.066 616 1HB TYR 77 HB2 TYR 77 10.514 7.605 11.604 617 2HB TYR 77 HB1 TYR 77 10.995 5.916 11.689 618 HD1 TYR 77 HD1 TYR 77 12.944 5.381 9.825 619 HD2 TYR 77 HD2 TYR 77 12.239 9.109 11.754 620 HE1 TYR 77 HE1 TYR 77 15.290 6.013 9.451 621 HE2 TYR 77 HE2 TYR 77 14.583 9.750 11.381 622 HH TYR 77 HH TYR 77 16.420 9.088 9.674 623 HA PRO 78 HA PRO 78 11.653 2.647 9.103 624 1HB PRO 78 HB2 PRO 78 9.950 0.805 10.108 625 2HB PRO 78 HB1 PRO 78 11.151 1.638 11.102 626 1HG PRO 78 HG2 PRO 78 8.225 2.168 10.822 627 2HG PRO 78 HG1 PRO 78 9.238 2.200 12.279 628 1HD PRO 78 HD2 PRO 78 8.457 4.419 10.900 629 2HD PRO 78 HD1 PRO 78 9.923 4.345 11.892 630 H GLY 79 HN GLY 79 10.611 3.844 7.079 631 1HA GLY 79 HA2 GLY 79 8.294 2.548 5.961 632 2HA GLY 79 HA1 GLY 79 9.362 3.671 5.127 633 H ILE 80 HN ILE 80 8.235 0.670 4.969 634 HA ILE 80 HA ILE 80 10.053 -0.252 3.080 635 HB ILE 80 HB ILE 80 11.443 -0.467 5.247 636 1HG1 ILE 80 HG1 ILE 80 12.625 -2.318 4.445 637 2HG1 ILE 80 HG1 ILE 80 11.177 -3.127 3.876 638 1HG2 ILE 80 HG2 ILE 80 10.200 -1.382 6.895 639 2HG2 ILE 80 HG2 ILE 80 10.889 -2.869 6.244 640 3HG2 ILE 80 HG2 ILE 80 9.257 -2.384 5.794 641 1HD1 ILE 80 HD1 ILE 80 12.995 -1.495 2.439 642 2HD1 ILE 80 HD1 ILE 80 11.420 -0.711 2.429 643 3HD1 ILE 80 HD1 ILE 80 11.583 -2.366 1.845 644 H ALA 81 HN ALA 81 9.774 -2.984 3.252 645 HA ALA 81 HA ALA 81 8.338 -4.730 3.125 646 1HB ALA 81 HB1 ALA 81 6.244 -4.681 4.274 647 2HB ALA 81 HB2 ALA 81 6.278 -2.933 4.386 648 3HB ALA 81 HB3 ALA 81 7.445 -3.899 5.281 649 H VAL 82 HN VAL 82 8.733 -4.091 0.873 650 HA VAL 82 HA VAL 82 6.214 -3.861 -0.545 651 HB VAL 82 HB VAL 82 7.238 -2.167 -2.133 652 1HG1 VAL 82 HG1 VAL 82 5.776 -1.810 0.233 653 2HG1 VAL 82 HG1 VAL 82 5.862 -0.731 -1.156 654 3HG1 VAL 82 HG1 VAL 82 6.971 -0.515 0.197 655 1HG2 VAL 82 HG2 VAL 82 9.494 -2.099 -1.635 656 2HG2 VAL 82 HG2 VAL 82 9.216 -2.063 0.106 657 3HG2 VAL 82 HG2 VAL 82 8.895 -0.629 -0.868 658 H GLU 83 HN GLU 83 6.271 -5.478 -1.964 659 HA GLU 83 HA GLU 83 8.600 -5.875 -3.641 660 1HB GLU 83 HB2 GLU 83 8.665 -7.327 -1.405 661 2HB GLU 83 HB1 GLU 83 7.577 -8.351 -2.331 662 1HG GLU 83 HG2 GLU 83 9.252 -8.555 -4.091 663 2HG GLU 83 HG1 GLU 83 10.343 -7.512 -3.185 664 H THR 84 HN THR 84 8.063 -7.981 -5.007 665 HA THR 84 HA THR 84 5.222 -7.956 -5.709 666 HB THR 84 HB THR 84 5.668 -7.663 -8.031 667 HG1 THR 84 HG1 THR 84 7.482 -8.868 -8.347 668 1HG2 THR 84 HG2 THR 84 7.705 -5.774 -6.993 669 2HG2 THR 84 HG2 THR 84 6.023 -5.608 -6.488 670 3HG2 THR 84 HG2 THR 84 6.443 -5.531 -8.199 671 H VAL 85 HN VAL 85 5.550 -9.583 -7.948 672 HA VAL 85 HA VAL 85 5.668 -12.172 -6.767 673 HB VAL 85 HB VAL 85 5.500 -12.867 -9.257 674 1HG1 VAL 85 HG1 VAL 85 3.575 -11.756 -7.406 675 2HG1 VAL 85 HG1 VAL 85 3.447 -13.163 -8.461 676 3HG1 VAL 85 HG1 VAL 85 3.066 -11.560 -9.081 677 1HG2 VAL 85 HG2 VAL 85 4.561 -10.072 -9.729 678 2HG2 VAL 85 HG2 VAL 85 5.124 -11.272 -10.879 679 3HG2 VAL 85 HG2 VAL 85 6.283 -10.424 -9.867 680 H THR 86 HN THR 86 7.631 -13.007 -6.212 681 HA THR 86 HA THR 86 10.075 -12.270 -7.364 682 HB THR 86 HB THR 86 9.957 -15.007 -6.268 683 HG1 THR 86 HG1 THR 86 9.629 -13.020 -4.349 684 1HG2 THR 86 HG2 THR 86 11.652 -12.591 -5.978 685 2HG2 THR 86 HG2 THR 86 12.108 -14.269 -6.265 686 3HG2 THR 86 HG2 THR 86 11.618 -13.752 -4.653 687 H ASP 87 HN ASP 87 7.859 -14.920 -8.157 688 HA ASP 87 HA ASP 87 9.660 -15.827 -10.274 689 1HB ASP 87 HB2 ASP 87 7.658 -17.081 -8.621 690 2HB ASP 87 HB1 ASP 87 7.302 -17.361 -10.323 691 H SER 88 HN SER 88 7.593 -13.399 -10.105 692 HA SER 88 HA SER 88 6.436 -12.183 -11.637 693 1HB SER 88 HB2 SER 88 8.452 -12.871 -13.050 694 2HB SER 88 HB1 SER 88 7.395 -14.087 -13.766 695 HG SER 88 HG SER 88 5.947 -12.099 -14.055 696 H SER 89 HN SER 89 4.303 -12.364 -11.369 697 HA SER 89 HA SER 89 2.929 -14.663 -12.569 698 1HB SER 89 HB2 SER 89 2.823 -14.895 -10.152 699 2HB SER 89 HB1 SER 89 2.261 -13.237 -9.982 700 HG SER 89 HG SER 89 0.348 -14.073 -10.128 701 H ARG 90 HN ARG 90 1.557 -11.777 -11.008 702 HA ARG 90 HA ARG 90 1.120 -10.246 -13.299 703 1HB ARG 90 HB2 ARG 90 -1.411 -10.744 -13.477 704 2HB ARG 90 HB1 ARG 90 -0.274 -11.816 -14.281 705 1HG ARG 90 HG2 ARG 90 -1.168 -13.530 -13.210 706 2HG ARG 90 HG1 ARG 90 -0.643 -12.829 -11.678 707 1HD ARG 90 HD2 ARG 90 -2.700 -12.008 -11.192 708 2HD ARG 90 HD1 ARG 90 -3.094 -11.700 -12.884 709 HE ARG 90 HE ARG 90 -4.171 -13.699 -12.897 710 1HH1 ARG 90 HH1 ARG 90 -1.727 -13.813 -10.409 711 2HH1 ARG 90 HH1 ARG 90 -2.139 -15.416 -9.901 712 1HH2 ARG 90 HH2 ARG 90 -4.720 -15.805 -12.227 713 2HH2 ARG 90 HH2 ARG 90 -3.839 -16.546 -10.931 714 H TYR 91 HN TYR 91 1.662 -9.855 -10.490 715 HA TYR 91 HA TYR 91 -0.066 -7.663 -10.005 716 1HB TYR 91 HB2 TYR 91 -1.506 -8.419 -8.385 717 2HB TYR 91 HB1 TYR 91 -1.315 -9.909 -9.294 718 HD1 TYR 91 HD1 TYR 91 -1.123 -8.406 -6.124 719 HD2 TYR 91 HD2 TYR 91 0.577 -11.522 -8.460 720 HE1 TYR 91 HE1 TYR 91 -0.362 -9.513 -4.073 721 HE2 TYR 91 HE2 TYR 91 1.342 -12.644 -6.416 722 HH TYR 91 HH TYR 91 0.447 -11.507 -3.223 723 H PHE 92 HN PHE 92 0.289 -7.114 -7.382 724 HA PHE 92 HA PHE 92 3.092 -7.590 -6.728 725 1HB PHE 92 HB2 PHE 92 3.236 -5.049 -6.207 726 2HB PHE 92 HB1 PHE 92 3.425 -5.581 -7.874 727 HD1 PHE 92 HD1 PHE 92 0.756 -4.469 -5.516 728 HD2 PHE 92 HD2 PHE 92 2.229 -4.489 -9.509 729 HE1 PHE 92 HE1 PHE 92 -1.067 -2.960 -6.198 730 HE2 PHE 92 HE2 PHE 92 0.401 -2.981 -10.193 731 HZ PHE 92 HZ PHE 92 -1.242 -2.219 -8.531 732 H VAL 93 HN VAL 93 3.635 -6.964 -4.531 733 HA VAL 93 HA VAL 93 1.268 -6.876 -2.775 734 HB VAL 93 HB VAL 93 2.867 -7.968 -1.086 735 1HG1 VAL 93 HG1 VAL 93 1.039 -9.018 -2.943 736 2HG1 VAL 93 HG1 VAL 93 1.517 -9.688 -1.385 737 3HG1 VAL 93 HG1 VAL 93 2.388 -10.151 -2.847 738 1HG2 VAL 93 HG2 VAL 93 4.836 -7.646 -2.658 739 2HG2 VAL 93 HG2 VAL 93 4.206 -9.027 -3.552 740 3HG2 VAL 93 HG2 VAL 93 4.697 -9.211 -1.869 741 H ILE 94 HN ILE 94 1.486 -5.762 -0.778 742 HA ILE 94 HA ILE 94 3.828 -4.035 -0.485 743 HB ILE 94 HB ILE 94 2.276 -2.659 -1.737 744 1HG1 ILE 94 HG1 ILE 94 3.608 -1.776 0.309 745 2HG1 ILE 94 HG1 ILE 94 2.376 -0.749 -0.414 746 1HG2 ILE 94 HG2 ILE 94 0.156 -2.328 0.161 747 2HG2 ILE 94 HG2 ILE 94 0.297 -4.021 -0.307 748 3HG2 ILE 94 HG2 ILE 94 0.091 -2.777 -1.534 749 1HD1 ILE 94 HD1 ILE 94 1.108 -2.268 1.601 750 2HD1 ILE 94 HD1 ILE 94 1.437 -0.536 1.574 751 3HD1 ILE 94 HD1 ILE 94 2.612 -1.647 2.274 752 H ARG 95 HN ARG 95 4.187 -3.351 1.632 753 HA ARG 95 HA ARG 95 2.302 -4.182 3.672 754 1HB ARG 95 HB2 ARG 95 4.673 -5.134 4.739 755 2HB ARG 95 HB1 ARG 95 3.359 -6.096 4.111 756 1HG ARG 95 HG2 ARG 95 4.427 -6.485 2.078 757 2HG ARG 95 HG1 ARG 95 5.527 -5.137 2.298 758 1HD ARG 95 HD2 ARG 95 7.003 -6.370 3.441 759 2HD ARG 95 HD1 ARG 95 5.742 -7.128 4.412 760 HE ARG 95 HE ARG 95 5.593 -8.256 1.889 761 1HH1 ARG 95 HH1 ARG 95 7.946 -8.038 4.459 762 2HH1 ARG 95 HH1 ARG 95 8.642 -9.587 4.118 763 1HH2 ARG 95 HH2 ARG 95 6.498 -10.290 1.446 764 2HH2 ARG 95 HH2 ARG 95 7.820 -10.866 2.403 765 H ILE 96 HN ILE 96 3.339 -3.640 5.913 766 HA ILE 96 HA ILE 96 4.837 -1.119 5.687 767 HB ILE 96 HB ILE 96 2.378 -1.578 7.382 768 1HG1 ILE 96 HG1 ILE 96 2.695 0.419 5.150 769 2HG1 ILE 96 HG1 ILE 96 2.105 -1.214 4.855 770 1HG2 ILE 96 HG2 ILE 96 2.731 0.345 8.467 771 2HG2 ILE 96 HG2 ILE 96 3.448 1.137 7.066 772 3HG2 ILE 96 HG2 ILE 96 4.416 0.050 8.056 773 1HD1 ILE 96 HD1 ILE 96 0.203 -0.838 6.263 774 2HD1 ILE 96 HD1 ILE 96 0.317 0.481 5.097 775 3HD1 ILE 96 HD1 ILE 96 0.832 0.730 6.766 776 H GLN 97 HN GLN 97 6.136 -0.602 7.469 777 HA GLN 97 HA GLN 97 6.351 -2.655 9.571 778 1HB GLN 97 HB2 GLN 97 8.086 -3.058 7.834 779 2HB GLN 97 HB1 GLN 97 8.728 -1.451 8.150 780 1HG GLN 97 HG2 GLN 97 8.806 -2.393 10.632 781 2HG GLN 97 HG1 GLN 97 8.913 -3.923 9.767 782 1HE2 GLN 97 HE2 GLN 97 10.978 -4.441 10.157 783 2HE2 GLN 97 HE2 GLN 97 12.339 -3.500 9.661 784 H ASP 98 HN ASP 98 7.146 -1.955 11.587 785 HA ASP 98 HA ASP 98 8.058 0.699 11.983 786 1HB ASP 98 HB2 ASP 98 6.114 1.429 13.397 787 2HB ASP 98 HB1 ASP 98 5.831 1.395 11.661 788 H GLY 99 HN GLY 99 8.607 1.238 14.127 789 1HA GLY 99 HA2 GLY 99 9.302 0.815 16.276 790 2HA GLY 99 HA1 GLY 99 8.168 -0.526 16.315 791 H THR 100 HN THR 100 9.578 -1.574 13.807 792 HA THR 100 HA THR 100 11.382 -2.840 13.223 793 HB THR 100 HB THR 100 12.597 -2.386 15.947 794 HG1 THR 100 HG1 THR 100 12.956 -0.404 15.398 795 1HG2 THR 100 HG2 THR 100 13.418 -3.869 13.724 796 2HG2 THR 100 HG2 THR 100 14.360 -3.462 15.159 797 3HG2 THR 100 HG2 THR 100 14.416 -2.415 13.740 798 H GLY 101 HN GLY 101 8.992 -3.770 14.200 799 1HA GLY 101 HA2 GLY 101 9.644 -6.438 14.875 800 2HA GLY 101 HA1 GLY 101 9.085 -5.592 16.307 801 H ARG 102 HN ARG 102 7.268 -3.922 14.483 802 HA ARG 102 HA ARG 102 5.229 -6.007 14.074 803 1HB ARG 102 HB2 ARG 102 5.105 -3.694 15.740 804 2HB ARG 102 HB1 ARG 102 3.970 -3.465 14.419 805 1HG ARG 102 HG2 ARG 102 4.025 -5.683 16.448 806 2HG ARG 102 HG1 ARG 102 2.775 -4.468 16.193 807 1HD ARG 102 HD2 ARG 102 1.877 -5.561 14.419 808 2HD ARG 102 HD1 ARG 102 3.425 -6.211 13.890 809 HE ARG 102 HE ARG 102 1.520 -7.567 15.413 810 1HH1 ARG 102 HH1 ARG 102 4.967 -6.983 15.470 811 2HH1 ARG 102 HH1 ARG 102 5.332 -8.497 16.214 812 1HH2 ARG 102 HH2 ARG 102 2.022 -9.567 16.382 813 2HH2 ARG 102 HH2 ARG 102 3.675 -9.960 16.722 814 H SER 103 HN SER 103 4.711 -6.302 12.047 815 HA SER 103 HA SER 103 4.418 -4.034 10.244 816 1HB SER 103 HB2 SER 103 6.064 -4.642 8.733 817 2HB SER 103 HB1 SER 103 6.826 -5.146 10.237 818 HG SER 103 HG SER 103 6.997 -6.889 8.962 819 H ALA 104 HN ALA 104 2.906 -4.375 8.630 820 HA ALA 104 HA ALA 104 1.543 -6.988 8.694 821 1HB ALA 104 HB1 ALA 104 -0.099 -5.015 7.470 822 2HB ALA 104 HB2 ALA 104 0.537 -4.351 8.974 823 3HB ALA 104 HB3 ALA 104 -0.353 -5.873 8.989 824 H PHE 105 HN PHE 105 1.204 -8.122 6.842 825 HA PHE 105 HA PHE 105 2.272 -6.928 4.379 826 1HB PHE 105 HB2 PHE 105 3.581 -8.839 5.274 827 2HB PHE 105 HB1 PHE 105 2.163 -9.863 5.080 828 HD1 PHE 105 HD1 PHE 105 2.683 -7.320 2.578 829 HD2 PHE 105 HD2 PHE 105 3.592 -11.326 3.671 830 HE1 PHE 105 HE1 PHE 105 3.339 -7.790 0.273 831 HE2 PHE 105 HE2 PHE 105 4.254 -11.809 1.353 832 HZ PHE 105 HZ PHE 105 4.124 -10.041 -0.353 833 H ILE 106 HN ILE 106 0.980 -6.652 2.689 834 HA ILE 106 HA ILE 106 -1.393 -8.341 2.408 835 HB ILE 106 HB ILE 106 -2.724 -6.293 1.782 836 1HG1 ILE 106 HG1 ILE 106 -1.009 -4.574 3.451 837 2HG1 ILE 106 HG1 ILE 106 -0.310 -5.007 1.899 838 1HG2 ILE 106 HG2 ILE 106 -2.700 -7.548 4.039 839 2HG2 ILE 106 HG2 ILE 106 -3.477 -5.968 3.959 840 3HG2 ILE 106 HG2 ILE 106 -1.859 -6.121 4.645 841 1HD1 ILE 106 HD1 ILE 106 -1.448 -3.324 1.032 842 2HD1 ILE 106 HD1 ILE 106 -2.376 -3.107 2.516 843 3HD1 ILE 106 HD1 ILE 106 -2.913 -4.267 1.302 844 H GLY 107 HN GLY 107 -2.325 -8.229 0.221 845 1HA GLY 107 HA2 GLY 107 -0.252 -7.524 -1.762 846 2HA GLY 107 HA1 GLY 107 -1.379 -8.860 -1.943 847 H ILE 108 HN ILE 108 -0.858 -6.502 -3.697 848 HA ILE 108 HA ILE 108 -3.641 -5.533 -3.793 849 HB ILE 108 HB ILE 108 -1.424 -3.784 -4.753 850 1HG1 ILE 108 HG1 ILE 108 -0.879 -4.427 -2.407 851 2HG1 ILE 108 HG1 ILE 108 -1.202 -2.711 -2.625 852 1HG2 ILE 108 HG2 ILE 108 -2.986 -2.044 -4.516 853 2HG2 ILE 108 HG2 ILE 108 -4.030 -3.018 -3.482 854 3HG2 ILE 108 HG2 ILE 108 -3.889 -3.396 -5.199 855 1HD1 ILE 108 HD1 ILE 108 -2.400 -3.070 -0.741 856 2HD1 ILE 108 HD1 ILE 108 -2.730 -4.756 -1.135 857 3HD1 ILE 108 HD1 ILE 108 -3.642 -3.471 -1.926 858 H GLY 109 HN GLY 109 -4.627 -5.992 -5.652 859 1HA GLY 109 HA2 GLY 109 -3.480 -5.588 -8.196 860 2HA GLY 109 HA1 GLY 109 -3.384 -7.295 -7.796 861 H PHE 110 HN PHE 110 -5.267 -4.935 -9.226 862 HA PHE 110 HA PHE 110 -7.852 -6.057 -8.624 863 1HB PHE 110 HB2 PHE 110 -7.136 -3.615 -9.464 864 2HB PHE 110 HB1 PHE 110 -7.458 -4.347 -11.032 865 HD1 PHE 110 HD1 PHE 110 -9.488 -3.607 -11.824 866 HD2 PHE 110 HD2 PHE 110 -9.132 -4.628 -7.721 867 HE1 PHE 110 HE1 PHE 110 -11.894 -3.203 -11.517 868 HE2 PHE 110 HE2 PHE 110 -11.534 -4.227 -7.396 869 HZ PHE 110 HZ PHE 110 -12.924 -3.514 -9.300 870 H THR 111 HN THR 111 -9.217 -6.354 -10.846 871 HA THR 111 HA THR 111 -8.384 -8.846 -11.876 872 HB THR 111 HB THR 111 -10.279 -8.235 -13.615 873 HG1 THR 111 HG1 THR 111 -11.000 -6.493 -11.520 874 1HG2 THR 111 HG2 THR 111 -11.491 -8.371 -10.955 875 2HG2 THR 111 HG2 THR 111 -10.294 -9.623 -11.288 876 3HG2 THR 111 HG2 THR 111 -11.687 -9.427 -12.354 877 H ASP 112 HN ASP 112 -7.166 -5.845 -12.571 878 HA ASP 112 HA ASP 112 -5.933 -6.811 -14.999 879 1HB ASP 112 HB2 ASP 112 -7.351 -4.143 -15.051 880 2HB ASP 112 HB1 ASP 112 -6.579 -4.978 -16.395 881 H ARG 113 HN ARG 113 -4.283 -5.131 -15.793 882 HA ARG 113 HA ARG 113 -2.818 -4.196 -13.460 883 1HB ARG 113 HB2 ARG 113 -1.820 -5.515 -15.444 884 2HB ARG 113 HB1 ARG 113 -1.874 -3.984 -16.309 885 1HG ARG 113 HG2 ARG 113 -0.536 -3.005 -14.401 886 2HG ARG 113 HG1 ARG 113 -0.297 -4.663 -13.845 887 1HD ARG 113 HD2 ARG 113 0.487 -5.067 -16.303 888 2HD ARG 113 HD1 ARG 113 0.721 -3.320 -16.311 889 HE ARG 113 HE ARG 113 2.503 -3.568 -14.872 890 1HH1 ARG 113 HH1 ARG 113 0.795 -6.601 -15.159 891 2HH1 ARG 113 HH1 ARG 113 2.032 -7.514 -14.363 892 1HH2 ARG 113 HH2 ARG 113 4.133 -4.775 -13.829 893 2HH2 ARG 113 HH2 ARG 113 3.923 -6.479 -13.607 894 H GLY 114 HN GLY 114 -5.242 -2.859 -14.989 895 1HA GLY 114 HA2 GLY 114 -4.230 -0.349 -15.884 896 2HA GLY 114 HA1 GLY 114 -5.911 -0.719 -15.525 897 H ASP 115 HN ASP 115 -6.375 -0.947 -13.106 898 HA ASP 115 HA ASP 115 -5.839 1.498 -11.856 899 1HB ASP 115 HB2 ASP 115 -7.107 -1.064 -11.042 900 2HB ASP 115 HB1 ASP 115 -6.574 0.002 -9.745 901 H ALA 116 HN ALA 116 -4.220 -1.603 -11.686 902 HA ALA 116 HA ALA 116 -2.686 -1.316 -9.411 903 1HB ALA 116 HB1 ALA 116 -1.990 -3.306 -10.103 904 2HB ALA 116 HB2 ALA 116 -1.077 -2.544 -11.405 905 3HB ALA 116 HB3 ALA 116 -2.752 -3.028 -11.668 906 H PHE 117 HN PHE 117 -1.604 -0.547 -12.733 907 HA PHE 117 HA PHE 117 0.807 0.631 -12.078 908 1HB PHE 117 HB2 PHE 117 0.327 0.156 -14.369 909 2HB PHE 117 HB1 PHE 117 -1.087 1.203 -14.359 910 HD1 PHE 117 HD1 PHE 117 -0.879 3.245 -15.363 911 HD2 PHE 117 HD2 PHE 117 2.581 1.425 -13.687 912 HE1 PHE 117 HE1 PHE 117 0.491 5.112 -16.177 913 HE2 PHE 117 HE2 PHE 117 3.963 3.292 -14.499 914 HZ PHE 117 HZ PHE 117 2.918 5.141 -15.748 915 H ASP 118 HN ASP 118 -2.179 2.446 -12.841 916 HA ASP 118 HA ASP 118 -1.298 4.938 -12.066 917 1HB ASP 118 HB2 ASP 118 -4.064 3.736 -11.973 918 2HB ASP 118 HB1 ASP 118 -3.750 5.432 -11.620 919 H PHE 119 HN PHE 119 -2.877 2.476 -10.011 920 HA PHE 119 HA PHE 119 -2.948 4.007 -7.663 921 1HB PHE 119 HB2 PHE 119 -4.170 2.162 -7.208 922 2HB PHE 119 HB1 PHE 119 -3.293 1.187 -8.374 923 HD1 PHE 119 HD1 PHE 119 -1.153 0.097 -7.693 924 HD2 PHE 119 HD2 PHE 119 -3.729 2.000 -4.894 925 HE1 PHE 119 HE1 PHE 119 -0.039 -1.101 -5.862 926 HE2 PHE 119 HE2 PHE 119 -2.615 0.810 -3.055 927 HZ PHE 119 HZ PHE 119 -0.769 -0.747 -3.537 928 H ASN 120 HN ASN 120 -0.513 1.631 -8.729 929 HA ASN 120 HA ASN 120 1.211 1.922 -6.564 930 1HB ASN 120 HB2 ASN 120 1.194 0.429 -8.881 931 2HB ASN 120 HB1 ASN 120 2.600 1.466 -9.098 932 1HD2 ASN 120 HD2 ASN 120 3.081 1.625 -6.181 933 2HD2 ASN 120 HD2 ASN 120 3.758 0.098 -5.743 934 H VAL 121 HN VAL 121 1.612 3.414 -9.790 935 HA VAL 121 HA VAL 121 3.781 4.999 -9.275 936 HB VAL 121 HB VAL 121 3.031 6.511 -11.036 937 1HG1 VAL 121 HG1 VAL 121 3.557 4.998 -12.582 938 2HG1 VAL 121 HG1 VAL 121 2.088 4.070 -12.288 939 3HG1 VAL 121 HG1 VAL 121 3.517 3.799 -11.291 940 1HG2 VAL 121 HG2 VAL 121 0.811 6.073 -12.127 941 2HG2 VAL 121 HG2 VAL 121 0.725 6.819 -10.532 942 3HG2 VAL 121 HG2 VAL 121 0.391 5.098 -10.720 943 H SER 122 HN SER 122 0.458 5.561 -8.311 944 HA SER 122 HA SER 122 0.731 8.266 -7.560 945 1HB SER 122 HB2 SER 122 -1.263 6.148 -7.232 946 2HB SER 122 HB1 SER 122 -1.208 7.264 -5.868 947 HG SER 122 HG SER 122 -1.437 8.028 -8.593 948 H LEU 123 HN LEU 123 0.831 5.295 -5.589 949 HA LEU 123 HA LEU 123 1.357 6.432 -3.133 950 1HB LEU 123 HB2 LEU 123 0.897 4.026 -3.557 951 2HB LEU 123 HB1 LEU 123 2.530 3.853 -4.170 952 HG LEU 123 HG LEU 123 2.519 5.031 -1.518 953 1HD1 LEU 123 HD1 LEU 123 0.453 3.291 -1.770 954 2HD1 LEU 123 HD1 LEU 123 1.340 3.585 -0.275 955 3HD1 LEU 123 HD1 LEU 123 1.761 2.208 -1.294 956 1HD2 LEU 123 HD2 LEU 123 4.286 3.711 -3.013 957 2HD2 LEU 123 HD2 LEU 123 3.654 2.356 -2.077 958 3HD2 LEU 123 HD2 LEU 123 4.365 3.744 -1.252 959 H GLN 124 HN GLN 124 3.575 5.802 -5.789 960 HA GLN 124 HA GLN 124 5.926 6.455 -4.281 961 1HB GLN 124 HB2 GLN 124 5.780 5.019 -6.417 962 2HB GLN 124 HB1 GLN 124 5.717 6.548 -7.284 963 1HG GLN 124 HG2 GLN 124 7.884 6.561 -5.399 964 2HG GLN 124 HG1 GLN 124 7.984 5.146 -6.444 965 1HE2 GLN 124 HE2 GLN 124 6.971 8.519 -6.952 966 2HE2 GLN 124 HE2 GLN 124 8.021 8.810 -8.285 967 H ASP 125 HN ASP 125 4.047 8.118 -6.795 968 HA ASP 125 HA ASP 125 5.443 10.440 -7.063 969 1HB ASP 125 HB2 ASP 125 2.663 9.622 -7.437 970 2HB ASP 125 HB1 ASP 125 2.833 11.342 -7.098 971 H HIS 126 HN HIS 126 2.966 9.799 -4.586 972 HA HIS 126 HA HIS 126 3.282 12.337 -3.330 973 1HB HIS 126 HB2 HIS 126 1.784 9.833 -2.761 974 2HB HIS 126 HB1 HIS 126 2.092 10.913 -1.404 975 HD2 HIS 126 HD2 HIS 126 -0.921 10.436 -2.922 976 HE1 HIS 126 HE1 HIS 126 -0.414 14.551 -3.817 977 HE2 HIS 126 HE2 HIS 126 -2.071 12.683 -3.484 978 H PHE 127 HN PHE 127 4.300 9.042 -2.427 979 HA PHE 127 HA PHE 127 5.703 9.837 -0.111 980 1HB PHE 127 HB2 PHE 127 4.952 7.439 -1.165 981 2HB PHE 127 HB1 PHE 127 6.680 7.413 -1.485 982 HD1 PHE 127 HD1 PHE 127 4.178 6.679 0.853 983 HD2 PHE 127 HD2 PHE 127 8.189 8.063 0.558 984 HE1 PHE 127 HE1 PHE 127 4.589 5.970 3.172 985 HE2 PHE 127 HE2 PHE 127 8.610 7.357 2.876 986 HZ PHE 127 HZ PHE 127 6.807 6.307 4.187 987 H LYS 128 HN LYS 128 7.334 8.336 -2.897 988 HA LYS 128 HA LYS 128 9.706 9.863 -2.355 989 1HB LYS 128 HB2 LYS 128 9.204 8.107 -4.756 990 2HB LYS 128 HB1 LYS 128 10.752 8.563 -4.058 991 1HG LYS 128 HG2 LYS 128 8.747 6.966 -2.506 992 2HG LYS 128 HG1 LYS 128 9.888 6.204 -3.615 993 1HD LYS 128 HD2 LYS 128 11.043 6.098 -1.621 994 2HD LYS 128 HD1 LYS 128 11.658 7.604 -2.303 995 1HE LYS 128 HE2 LYS 128 9.459 8.468 -0.943 996 2HE LYS 128 HE1 LYS 128 10.013 7.142 0.079 997 1HZ LYS 128 HZ1 LYS 128 10.982 9.677 0.108 998 2HZ LYS 128 HZ2 LYS 128 12.147 8.849 -0.795 999 3HZ LYS 128 HZ3 LYS 128 11.755 8.323 0.764 1000 H TRP 129 HN TRP 129 10.775 11.261 -3.848 1001 HA TRP 129 HA TRP 129 9.191 12.326 -6.047 1002 1HB TRP 129 HB2 TRP 129 8.447 13.739 -4.258 1003 2HB TRP 129 HB1 TRP 129 10.092 13.974 -3.677 1004 HD1 TRP 129 HD1 TRP 129 11.182 16.169 -4.407 1005 HE1 TRP 129 HE1 TRP 129 10.781 17.902 -6.266 1006 HE3 TRP 129 HE3 TRP 129 7.420 13.797 -6.932 1007 HZ2 TRP 129 HZ2 TRP 129 9.097 18.220 -8.509 1008 HZ3 TRP 129 HZ3 TRP 129 6.469 14.884 -8.925 1009 HH2 TRP 129 HH2 TRP 129 7.291 17.050 -9.695 1010 H VAL 130 HN VAL 130 11.254 10.879 -6.631 1011 HA VAL 130 HA VAL 130 13.239 12.805 -7.561 1012 HB VAL 130 HB VAL 130 14.170 10.222 -6.325 1013 1HG1 VAL 130 HG1 VAL 130 16.071 10.783 -7.324 1014 2HG1 VAL 130 HG1 VAL 130 16.157 12.197 -6.273 1015 3HG1 VAL 130 HG1 VAL 130 15.394 12.321 -7.859 1016 1HG2 VAL 130 HG2 VAL 130 15.055 11.941 -4.533 1017 2HG2 VAL 130 HG2 VAL 130 13.453 11.219 -4.395 1018 3HG2 VAL 130 HG2 VAL 130 13.633 12.850 -5.039 1019 H LYS 131 HN LYS 131 11.050 11.041 -8.665 1020 HA LYS 131 HA LYS 131 12.527 9.174 -10.334 1021 1HB LYS 131 HB2 LYS 131 10.193 8.777 -9.291 1022 2HB LYS 131 HB1 LYS 131 9.596 9.789 -10.601 1023 1HG LYS 131 HG2 LYS 131 11.006 8.117 -12.073 1024 2HG LYS 131 HG1 LYS 131 10.751 7.055 -10.686 1025 1HD LYS 131 HD2 LYS 131 8.936 6.586 -12.070 1026 2HD LYS 131 HD1 LYS 131 8.273 7.729 -10.900 1027 1HE LYS 131 HE2 LYS 131 8.789 9.548 -12.574 1028 2HE LYS 131 HE1 LYS 131 9.128 8.267 -13.737 1029 1HZ LYS 131 HZ1 LYS 131 6.617 9.295 -12.862 1030 2HZ LYS 131 HZ2 LYS 131 6.689 7.618 -12.669 1031 3HZ LYS 131 HZ3 LYS 131 6.968 8.305 -14.189 1032 H GLN 132 HN GLN 132 11.301 12.390 -10.495 1033 HA GLN 132 HA GLN 132 12.429 12.750 -13.114 1034 1HB GLN 132 HB2 GLN 132 9.671 12.114 -12.915 1035 2HB GLN 132 HB1 GLN 132 9.780 13.815 -13.341 1036 1HG GLN 132 HG2 GLN 132 11.249 13.215 -15.229 1037 2HG GLN 132 HG1 GLN 132 11.029 11.513 -14.822 1038 1HE2 GLN 132 HE2 GLN 132 10.002 13.913 -16.795 1039 2HE2 GLN 132 HE2 GLN 132 8.434 13.314 -17.202 1040 H GLU 133 HN GLU 133 13.001 14.851 -13.489 1041 HA GLU 133 HA GLU 133 11.850 16.994 -11.921 1042 1HB GLU 133 HB2 GLU 133 14.800 16.375 -11.691 1043 2HB GLU 133 HB1 GLU 133 13.956 17.725 -10.942 1044 1HG GLU 133 HG2 GLU 133 12.563 16.008 -9.723 1045 2HG GLU 133 HG1 GLU 133 13.712 14.803 -10.302 Start of MODEL 9 1 1H MET 1 HT1 MET 1 -12.234 26.132 -4.113 2 2H MET 1 HT2 MET 1 -12.259 24.550 -3.449 3 3H MET 1 HT3 MET 1 -12.445 24.776 -5.140 4 HA MET 1 HA MET 1 -10.254 23.990 -4.491 5 1HB MET 1 HB2 MET 1 -10.847 26.505 -5.965 6 2HB MET 1 HB1 MET 1 -9.154 26.130 -5.669 7 1HG MET 1 HG2 MET 1 -9.463 25.141 -7.701 8 2HG MET 1 HG1 MET 1 -9.811 23.790 -6.624 9 1HE MET 1 HE1 MET 1 -12.221 22.887 -9.311 10 2HE MET 1 HE2 MET 1 -12.074 22.225 -7.682 11 3HE MET 1 HE3 MET 1 -10.629 22.695 -8.577 12 H ALA 2 HN ALA 2 -8.050 24.911 -3.900 13 HA ALA 2 HA ALA 2 -7.736 27.112 -2.204 14 1HB ALA 2 HB1 ALA 2 -7.418 25.753 -0.040 15 2HB ALA 2 HB2 ALA 2 -8.433 24.543 -0.825 16 3HB ALA 2 HB3 ALA 2 -9.059 26.166 -0.537 17 H ALA 3 HN ALA 3 -5.708 26.573 -0.603 18 HA ALA 3 HA ALA 3 -3.835 24.718 -1.771 19 1HB ALA 3 HB1 ALA 3 -2.626 26.075 -3.060 20 2HB ALA 3 HB2 ALA 3 -2.591 27.342 -1.833 21 3HB ALA 3 HB3 ALA 3 -3.961 27.221 -2.937 22 H GLU 4 HN GLU 4 -3.992 24.006 0.466 23 HA GLU 4 HA GLU 4 -2.051 25.403 2.147 24 1HB GLU 4 HB2 GLU 4 -4.780 24.558 3.136 25 2HB GLU 4 HB1 GLU 4 -3.481 25.182 4.142 26 1HG GLU 4 HG2 GLU 4 -3.733 27.332 3.376 27 2HG GLU 4 HG1 GLU 4 -4.461 26.818 1.855 28 H LEU 5 HN LEU 5 -3.275 22.531 0.883 29 HA LEU 5 HA LEU 5 -2.327 20.831 3.033 30 1HB LEU 5 HB2 LEU 5 -3.049 18.982 1.558 31 2HB LEU 5 HB1 LEU 5 -4.326 20.129 1.911 32 HG LEU 5 HG LEU 5 -3.102 21.007 -0.480 33 1HD1 LEU 5 HD1 LEU 5 -2.952 19.214 -1.899 34 2HD1 LEU 5 HD1 LEU 5 -4.003 18.201 -0.909 35 3HD1 LEU 5 HD1 LEU 5 -2.341 18.503 -0.405 36 1HD2 LEU 5 HD2 LEU 5 -5.619 19.518 -0.702 37 2HD2 LEU 5 HD2 LEU 5 -5.239 21.184 -1.137 38 3HD2 LEU 5 HD2 LEU 5 -5.606 20.772 0.538 39 H GLU 6 HN GLU 6 -0.100 21.708 2.834 40 HA GLU 6 HA GLU 6 1.452 19.986 1.075 41 1HB GLU 6 HB2 GLU 6 2.067 22.936 1.144 42 2HB GLU 6 HB1 GLU 6 2.737 21.712 0.076 43 1HG GLU 6 HG2 GLU 6 0.264 21.455 -0.713 44 2HG GLU 6 HG1 GLU 6 0.084 23.067 -0.023 45 H TYR 7 HN TYR 7 2.361 18.898 2.763 46 HA TYR 7 HA TYR 7 4.456 20.233 4.197 47 1HB TYR 7 HB2 TYR 7 2.208 20.567 5.484 48 2HB TYR 7 HB1 TYR 7 2.426 18.886 5.951 49 HD1 TYR 7 HD1 TYR 7 5.304 21.138 5.519 50 HD2 TYR 7 HD2 TYR 7 2.582 19.412 8.296 51 HE1 TYR 7 HE1 TYR 7 6.761 21.834 7.367 52 HE2 TYR 7 HE2 TYR 7 4.032 20.109 10.156 53 HH TYR 7 HH TYR 7 5.950 22.190 10.323 54 H GLU 8 HN GLU 8 4.921 18.328 6.185 55 HA GLU 8 HA GLU 8 6.046 16.223 4.604 56 1HB GLU 8 HB2 GLU 8 6.262 17.205 7.358 57 2HB GLU 8 HB1 GLU 8 6.412 15.459 7.219 58 1HG GLU 8 HG2 GLU 8 7.991 16.583 5.175 59 2HG GLU 8 HG1 GLU 8 8.331 17.486 6.649 60 H SER 9 HN SER 9 4.004 15.328 3.772 61 HA SER 9 HA SER 9 3.181 13.079 5.371 62 1HB SER 9 HB2 SER 9 1.064 15.056 4.492 63 2HB SER 9 HB1 SER 9 0.805 13.550 5.373 64 HG SER 9 HG SER 9 2.149 15.877 6.270 65 H VAL 10 HN VAL 10 2.998 11.385 4.061 66 HA VAL 10 HA VAL 10 3.364 11.502 1.306 67 HB VAL 10 HB VAL 10 2.615 9.141 1.251 68 1HG1 VAL 10 HG1 VAL 10 4.773 10.252 2.735 69 2HG1 VAL 10 HG1 VAL 10 4.698 8.710 1.886 70 3HG1 VAL 10 HG1 VAL 10 4.208 8.810 3.577 71 1HG2 VAL 10 HG2 VAL 10 1.749 9.755 4.068 72 2HG2 VAL 10 HG2 VAL 10 2.083 8.117 3.521 73 3HG2 VAL 10 HG2 VAL 10 0.807 9.058 2.753 74 H LEU 11 HN LEU 11 0.303 11.454 3.125 75 HA LEU 11 HA LEU 11 -1.854 11.532 2.487 76 1HB LEU 11 HB2 LEU 11 -2.358 13.321 0.789 77 2HB LEU 11 HB1 LEU 11 -1.480 13.817 2.218 78 HG LEU 11 HG LEU 11 0.622 13.503 0.666 79 1HD1 LEU 11 HD1 LEU 11 -1.512 14.129 -1.360 80 2HD1 LEU 11 HD1 LEU 11 -0.726 12.559 -1.202 81 3HD1 LEU 11 HD1 LEU 11 0.221 13.979 -1.642 82 1HD2 LEU 11 HD2 LEU 11 0.708 15.757 0.581 83 2HD2 LEU 11 HD2 LEU 11 -0.677 15.607 1.663 84 3HD2 LEU 11 HD2 LEU 11 -0.930 15.906 -0.057 85 H CYS 12 HN CYS 12 -0.482 9.373 1.247 86 HA CYS 12 HA CYS 12 -1.341 9.287 -1.505 87 1HB CYS 12 HB2 CYS 12 0.609 7.952 -0.918 88 2HB CYS 12 HB1 CYS 12 -0.336 7.028 0.242 89 HG CYS 12 HG CYS 12 0.021 5.926 -2.250 90 H VAL 13 HN VAL 13 -3.045 8.326 -2.391 91 HA VAL 13 HA VAL 13 -4.953 6.799 -0.828 92 HB VAL 13 HB VAL 13 -6.826 8.315 -1.637 93 1HG1 VAL 13 HG1 VAL 13 -6.190 10.092 0.205 94 2HG1 VAL 13 HG1 VAL 13 -4.940 8.909 0.566 95 3HG1 VAL 13 HG1 VAL 13 -6.636 8.440 0.615 96 1HG2 VAL 13 HG2 VAL 13 -6.324 10.054 -2.915 97 2HG2 VAL 13 HG2 VAL 13 -4.604 9.702 -2.753 98 3HG2 VAL 13 HG2 VAL 13 -5.402 10.757 -1.587 99 H LYS 14 HN LYS 14 -6.664 5.911 -2.215 100 HA LYS 14 HA LYS 14 -6.642 6.280 -5.024 101 1HB LYS 14 HB2 LYS 14 -4.835 4.249 -3.914 102 2HB LYS 14 HB1 LYS 14 -5.905 3.645 -5.174 103 1HG LYS 14 HG2 LYS 14 -4.364 6.169 -5.601 104 2HG LYS 14 HG1 LYS 14 -3.582 4.608 -5.814 105 1HD LYS 14 HD2 LYS 14 -4.375 4.660 -7.898 106 2HD LYS 14 HD1 LYS 14 -5.956 4.329 -7.189 107 1HE LYS 14 HE2 LYS 14 -6.636 6.255 -8.083 108 2HE LYS 14 HE1 LYS 14 -5.635 7.067 -6.881 109 1HZ LYS 14 HZ1 LYS 14 -5.363 7.236 -9.594 110 2HZ LYS 14 HZ2 LYS 14 -4.111 6.195 -9.136 111 3HZ LYS 14 HZ3 LYS 14 -4.225 7.736 -8.447 112 HA PRO 15 HA PRO 15 -10.425 4.359 -3.255 113 1HB PRO 15 HB2 PRO 15 -12.163 6.034 -4.467 114 2HB PRO 15 HB1 PRO 15 -11.368 6.419 -2.937 115 1HG PRO 15 HG2 PRO 15 -10.701 7.319 -5.703 116 2HG PRO 15 HG1 PRO 15 -10.695 8.244 -4.191 117 1HD PRO 15 HD2 PRO 15 -8.439 7.244 -5.351 118 2HD PRO 15 HD1 PRO 15 -8.608 7.501 -3.603 119 H ASP 16 HN ASP 16 -9.077 3.060 -5.259 120 HA ASP 16 HA ASP 16 -11.199 1.926 -6.747 121 1HB ASP 16 HB2 ASP 16 -10.183 2.504 -9.028 122 2HB ASP 16 HB1 ASP 16 -11.115 3.761 -8.219 123 H VAL 17 HN VAL 17 -10.077 0.212 -5.498 124 HA VAL 17 HA VAL 17 -8.338 -1.237 -7.219 125 HB VAL 17 HB VAL 17 -6.883 0.481 -5.872 126 1HG1 VAL 17 HG1 VAL 17 -7.625 -0.107 -3.658 127 2HG1 VAL 17 HG1 VAL 17 -5.923 -0.531 -3.840 128 3HG1 VAL 17 HG1 VAL 17 -7.156 -1.789 -3.908 129 1HG2 VAL 17 HG2 VAL 17 -5.153 -0.696 -6.654 130 2HG2 VAL 17 HG2 VAL 17 -6.386 -1.778 -7.300 131 3HG2 VAL 17 HG2 VAL 17 -5.605 -2.148 -5.761 132 H SER 18 HN SER 18 -7.582 -3.317 -6.174 133 HA SER 18 HA SER 18 -9.644 -4.279 -4.306 134 1HB SER 18 HB2 SER 18 -8.243 -5.785 -6.531 135 2HB SER 18 HB1 SER 18 -9.326 -6.523 -5.352 136 HG SER 18 HG SER 18 -11.020 -5.446 -6.213 137 H VAL 19 HN VAL 19 -8.981 -5.181 -2.468 138 HA VAL 19 HA VAL 19 -6.088 -5.418 -2.035 139 HB VAL 19 HB VAL 19 -7.780 -5.788 0.312 140 1HG1 VAL 19 HG1 VAL 19 -5.216 -5.106 -0.146 141 2HG1 VAL 19 HG1 VAL 19 -6.062 -4.800 1.366 142 3HG1 VAL 19 HG1 VAL 19 -5.920 -3.523 0.158 143 1HG2 VAL 19 HG2 VAL 19 -8.209 -3.232 0.396 144 2HG2 VAL 19 HG2 VAL 19 -9.324 -4.270 -0.493 145 3HG2 VAL 19 HG2 VAL 19 -8.105 -3.337 -1.361 146 H TYR 20 HN TYR 20 -5.446 -7.170 -0.434 147 HA TYR 20 HA TYR 20 -6.992 -9.629 -0.890 148 1HB TYR 20 HB2 TYR 20 -3.974 -9.512 -0.951 149 2HB TYR 20 HB1 TYR 20 -5.002 -10.883 -1.350 150 HD1 TYR 20 HD1 TYR 20 -6.887 -10.078 -3.231 151 HD2 TYR 20 HD2 TYR 20 -2.921 -8.610 -2.783 152 HE1 TYR 20 HE1 TYR 20 -6.871 -9.413 -5.597 153 HE2 TYR 20 HE2 TYR 20 -2.895 -7.937 -5.147 154 HH TYR 20 HH TYR 20 -5.652 -8.592 -7.285 155 H ARG 21 HN ARG 21 -7.048 -11.067 0.774 156 HA ARG 21 HA ARG 21 -5.695 -10.308 3.274 157 1HB ARG 21 HB2 ARG 21 -8.152 -9.835 3.294 158 2HB ARG 21 HB1 ARG 21 -8.446 -11.545 3.030 159 1HG ARG 21 HG2 ARG 21 -8.681 -11.463 5.280 160 2HG ARG 21 HG1 ARG 21 -6.946 -11.775 5.189 161 1HD ARG 21 HD2 ARG 21 -6.486 -9.843 6.188 162 2HD ARG 21 HD1 ARG 21 -7.466 -8.953 5.028 163 HE ARG 21 HE ARG 21 -8.478 -10.149 7.523 164 1HH1 ARG 21 HH1 ARG 21 -8.700 -7.746 4.982 165 2HH1 ARG 21 HH1 ARG 21 -10.011 -6.907 5.734 166 1HH2 ARG 21 HH2 ARG 21 -10.201 -9.039 8.492 167 2HH2 ARG 21 HH2 ARG 21 -10.863 -7.637 7.720 168 H ILE 22 HN ILE 22 -4.322 -11.820 3.923 169 HA ILE 22 HA ILE 22 -4.772 -14.588 3.024 170 HB ILE 22 HB ILE 22 -2.098 -14.112 4.042 171 1HG1 ILE 22 HG1 ILE 22 -2.577 -11.820 3.145 172 2HG1 ILE 22 HG1 ILE 22 -1.262 -12.649 2.319 173 1HG2 ILE 22 HG2 ILE 22 -1.965 -14.794 1.359 174 2HG2 ILE 22 HG2 ILE 22 -3.460 -15.539 1.925 175 3HG2 ILE 22 HG2 ILE 22 -1.934 -15.897 2.731 176 1HD1 ILE 22 HD1 ILE 22 -2.977 -11.369 0.912 177 2HD1 ILE 22 HD1 ILE 22 -4.051 -12.729 1.238 178 3HD1 ILE 22 HD1 ILE 22 -2.523 -12.994 0.398 179 HA PRO 23 HA PRO 23 -5.471 -15.372 7.384 180 1HB PRO 23 HB2 PRO 23 -5.944 -18.050 7.105 181 2HB PRO 23 HB1 PRO 23 -7.159 -16.798 6.835 182 1HG PRO 23 HG2 PRO 23 -5.541 -18.329 4.858 183 2HG PRO 23 HG1 PRO 23 -7.225 -17.793 4.758 184 1HD PRO 23 HD2 PRO 23 -5.171 -16.529 3.481 185 2HD PRO 23 HD1 PRO 23 -6.651 -15.707 4.010 186 HA PRO 24 HA PRO 24 -1.823 -18.571 7.511 187 1HB PRO 24 HB2 PRO 24 -0.058 -18.418 5.464 188 2HB PRO 24 HB1 PRO 24 -1.423 -19.534 5.462 189 1HG PRO 24 HG2 PRO 24 -1.091 -16.900 4.122 190 2HG PRO 24 HG1 PRO 24 -1.824 -18.391 3.503 191 1HD PRO 24 HD2 PRO 24 -3.262 -16.308 4.419 192 2HD PRO 24 HD1 PRO 24 -3.819 -17.983 4.531 193 H ARG 25 HN ARG 25 -0.924 -17.408 9.132 194 HA ARG 25 HA ARG 25 0.983 -15.298 8.370 195 1HB ARG 25 HB2 ARG 25 -0.603 -15.261 10.932 196 2HB ARG 25 HB1 ARG 25 0.356 -13.964 10.232 197 1HG ARG 25 HG2 ARG 25 -1.411 -14.322 8.248 198 2HG ARG 25 HG1 ARG 25 -2.396 -14.833 9.620 199 1HD ARG 25 HD2 ARG 25 -2.683 -12.455 9.173 200 2HD ARG 25 HD1 ARG 25 -1.934 -12.717 10.745 201 HE ARG 25 HE ARG 25 -0.589 -11.708 8.334 202 1HH1 ARG 25 HH1 ARG 25 -0.575 -12.285 11.786 203 2HH1 ARG 25 HH1 ARG 25 0.827 -11.310 12.061 204 1HH2 ARG 25 HH2 ARG 25 1.253 -10.430 8.709 205 2HH2 ARG 25 HH2 ARG 25 1.863 -10.259 10.321 206 H ALA 26 HN ALA 26 2.402 -17.257 8.395 207 HA ALA 26 HA ALA 26 3.547 -17.572 11.075 208 1HB ALA 26 HB1 ALA 26 2.494 -19.721 9.325 209 2HB ALA 26 HB2 ALA 26 2.519 -19.598 11.085 210 3HB ALA 26 HB3 ALA 26 3.986 -20.043 10.211 211 H SER 27 HN SER 27 5.703 -18.924 10.789 212 HA SER 27 HA SER 27 7.467 -17.313 9.312 213 1HB SER 27 HB2 SER 27 7.790 -19.081 11.331 214 2HB SER 27 HB1 SER 27 8.369 -20.056 9.979 215 HG SER 27 HG SER 27 10.116 -18.939 10.699 216 H ASN 28 HN ASN 28 6.846 -20.795 8.795 217 HA ASN 28 HA ASN 28 7.794 -20.593 6.067 218 1HB ASN 28 HB2 ASN 28 6.946 -22.825 7.871 219 2HB ASN 28 HB1 ASN 28 6.952 -23.098 6.130 220 1HD2 ASN 28 HD2 ASN 28 8.837 -22.721 8.964 221 2HD2 ASN 28 HD2 ASN 28 10.383 -22.993 8.241 222 H ARG 29 HN ARG 29 5.813 -18.922 6.065 223 HA ARG 29 HA ARG 29 3.619 -20.340 4.726 224 1HB ARG 29 HB2 ARG 29 3.416 -19.026 7.166 225 2HB ARG 29 HB1 ARG 29 2.783 -17.865 6.009 226 1HG ARG 29 HG2 ARG 29 0.951 -19.120 6.786 227 2HG ARG 29 HG1 ARG 29 1.290 -19.689 5.151 228 1HD ARG 29 HD2 ARG 29 2.581 -21.571 6.167 229 2HD ARG 29 HD1 ARG 29 2.008 -21.039 7.745 230 HE ARG 29 HE ARG 29 0.385 -22.212 5.604 231 1HH1 ARG 29 HH1 ARG 29 0.617 -21.017 8.887 232 2HH1 ARG 29 HH1 ARG 29 -0.907 -21.683 9.362 233 1HH2 ARG 29 HH2 ARG 29 -1.621 -23.071 6.236 234 2HH2 ARG 29 HH2 ARG 29 -2.178 -22.845 7.861 235 H GLY 30 HN GLY 30 6.129 -18.585 4.051 236 1HA GLY 30 HA2 GLY 30 4.743 -16.604 2.366 237 2HA GLY 30 HA1 GLY 30 6.428 -16.514 2.857 238 H TYR 31 HN TYR 31 5.084 -16.484 0.172 239 HA TYR 31 HA TYR 31 7.018 -18.106 -1.163 240 1HB TYR 31 HB2 TYR 31 4.655 -19.420 -0.493 241 2HB TYR 31 HB1 TYR 31 4.442 -18.984 -2.185 242 HD1 TYR 31 HD1 TYR 31 6.706 -19.427 -3.621 243 HD2 TYR 31 HD2 TYR 31 5.540 -21.502 -0.095 244 HE1 TYR 31 HE1 TYR 31 8.107 -21.335 -4.289 245 HE2 TYR 31 HE2 TYR 31 6.938 -23.415 -0.752 246 HH TYR 31 HH TYR 31 8.299 -24.269 -2.286 247 H ARG 32 HN ARG 32 7.302 -17.512 -3.296 248 HA ARG 32 HA ARG 32 6.315 -14.974 -4.052 249 1HB ARG 32 HB2 ARG 32 7.487 -16.832 -6.083 250 2HB ARG 32 HB1 ARG 32 7.722 -15.105 -5.891 251 1HG ARG 32 HG2 ARG 32 8.787 -17.006 -3.849 252 2HG ARG 32 HG1 ARG 32 9.658 -16.713 -5.350 253 1HD ARG 32 HD2 ARG 32 9.691 -14.314 -4.852 254 2HD ARG 32 HD1 ARG 32 8.830 -14.621 -3.343 255 HE ARG 32 HE ARG 32 11.618 -14.939 -3.815 256 1HH1 ARG 32 HH1 ARG 32 8.929 -16.221 -2.002 257 2HH1 ARG 32 HH1 ARG 32 9.923 -16.863 -0.739 258 1HH2 ARG 32 HH2 ARG 32 12.931 -15.789 -2.169 259 2HH2 ARG 32 HH2 ARG 32 12.203 -16.616 -0.834 260 H ALA 33 HN ALA 33 5.255 -14.517 -6.139 261 HA ALA 33 HA ALA 33 2.734 -15.716 -6.308 262 1HB ALA 33 HB1 ALA 33 3.199 -13.428 -7.006 263 2HB ALA 33 HB2 ALA 33 2.397 -14.349 -8.279 264 3HB ALA 33 HB3 ALA 33 4.131 -14.030 -8.374 265 H SER 34 HN SER 34 5.664 -16.923 -7.426 266 HA SER 34 HA SER 34 5.097 -18.017 -9.904 267 1HB SER 34 HB2 SER 34 6.889 -19.509 -9.531 268 2HB SER 34 HB1 SER 34 7.285 -18.100 -8.547 269 HG SER 34 HG SER 34 6.166 -20.558 -7.679 270 H ASP 35 HN ASP 35 4.300 -19.202 -6.689 271 HA ASP 35 HA ASP 35 2.221 -20.895 -7.866 272 1HB ASP 35 HB2 ASP 35 2.878 -22.825 -6.510 273 2HB ASP 35 HB1 ASP 35 4.180 -22.348 -7.594 274 H TRP 36 HN TRP 36 2.489 -18.394 -6.078 275 HA TRP 36 HA TRP 36 1.380 -19.237 -3.562 276 1HB TRP 36 HB2 TRP 36 2.533 -17.271 -3.274 277 2HB TRP 36 HB1 TRP 36 2.058 -16.637 -4.841 278 HD1 TRP 36 HD1 TRP 36 0.848 -16.868 -1.214 279 HE1 TRP 36 HE1 TRP 36 -1.021 -15.132 -0.865 280 HE3 TRP 36 HE3 TRP 36 0.235 -15.345 -6.057 281 HZ2 TRP 36 HZ2 TRP 36 -2.548 -13.352 -2.434 282 HZ3 TRP 36 HZ3 TRP 36 -1.453 -13.627 -6.547 283 HH2 TRP 36 HH2 TRP 36 -2.816 -12.652 -4.771 284 H LYS 37 HN LYS 37 0.010 -17.232 -6.191 285 HA LYS 37 HA LYS 37 -2.139 -16.849 -6.838 286 1HB LYS 37 HB2 LYS 37 -1.797 -19.709 -6.579 287 2HB LYS 37 HB1 LYS 37 -3.465 -19.255 -6.268 288 1HG LYS 37 HG2 LYS 37 -1.890 -18.524 -8.731 289 2HG LYS 37 HG1 LYS 37 -3.072 -19.829 -8.618 290 1HD LYS 37 HD2 LYS 37 -4.224 -17.379 -7.668 291 2HD LYS 37 HD1 LYS 37 -3.534 -17.130 -9.267 292 1HE LYS 37 HE2 LYS 37 -5.470 -19.316 -8.512 293 2HE LYS 37 HE1 LYS 37 -5.890 -17.829 -9.358 294 1HZ LYS 37 HZ1 LYS 37 -5.391 -18.836 -11.246 295 2HZ LYS 37 HZ2 LYS 37 -4.906 -20.234 -10.428 296 3HZ LYS 37 HZ3 LYS 37 -3.783 -19.009 -10.746 297 H LEU 38 HN LEU 38 -4.518 -17.043 -6.127 298 HA LEU 38 HA LEU 38 -5.184 -17.429 -3.421 299 1HB LEU 38 HB2 LEU 38 -3.693 -15.338 -3.417 300 2HB LEU 38 HB1 LEU 38 -5.047 -14.524 -4.172 301 HG LEU 38 HG LEU 38 -6.373 -15.453 -2.104 302 1HD1 LEU 38 HD1 LEU 38 -5.071 -16.645 -0.729 303 2HD1 LEU 38 HD1 LEU 38 -4.432 -15.085 -0.209 304 3HD1 LEU 38 HD1 LEU 38 -3.586 -16.018 -1.443 305 1HD2 LEU 38 HD2 LEU 38 -5.595 -13.379 -0.830 306 2HD2 LEU 38 HD2 LEU 38 -6.256 -13.136 -2.447 307 3HD2 LEU 38 HD2 LEU 38 -4.511 -13.099 -2.192 308 H ASP 39 HN ASP 39 -7.321 -17.679 -3.308 309 HA ASP 39 HA ASP 39 -9.106 -16.204 -5.060 310 1HB ASP 39 HB2 ASP 39 -10.187 -18.235 -5.916 311 2HB ASP 39 HB1 ASP 39 -8.494 -18.172 -6.399 312 H GLN 40 HN GLN 40 -9.342 -15.483 -2.718 313 HA GLN 40 HA GLN 40 -11.690 -16.773 -1.639 314 1HB GLN 40 HB2 GLN 40 -9.102 -17.245 -0.496 315 2HB GLN 40 HB1 GLN 40 -10.082 -16.337 0.647 316 1HG GLN 40 HG2 GLN 40 -11.725 -18.009 0.728 317 2HG GLN 40 HG1 GLN 40 -11.087 -18.818 -0.703 318 1HE2 GLN 40 HE2 GLN 40 -11.371 -19.129 2.492 319 2HE2 GLN 40 HE2 GLN 40 -9.955 -20.050 2.853 320 HA PRO 41 HA PRO 41 -11.162 -12.565 0.585 321 1HB PRO 41 HB2 PRO 41 -8.828 -11.255 0.501 322 2HB PRO 41 HB1 PRO 41 -9.101 -12.585 1.635 323 1HG PRO 41 HG2 PRO 41 -7.730 -12.661 -1.042 324 2HG PRO 41 HG1 PRO 41 -7.162 -13.297 0.509 325 1HD PRO 41 HD2 PRO 41 -8.342 -14.877 -1.307 326 2HD PRO 41 HD1 PRO 41 -8.580 -15.114 0.435 327 H ASP 42 HN ASP 42 -8.656 -11.179 -1.393 328 HA ASP 42 HA ASP 42 -8.776 -9.539 -2.946 329 1HB ASP 42 HB2 ASP 42 -8.927 -11.511 -4.376 330 2HB ASP 42 HB1 ASP 42 -10.676 -11.549 -4.173 331 H TRP 43 HN TRP 43 -10.134 -8.616 -0.951 332 HA TRP 43 HA TRP 43 -12.888 -8.131 -1.533 333 1HB TRP 43 HB2 TRP 43 -12.506 -6.334 0.384 334 2HB TRP 43 HB1 TRP 43 -12.640 -8.047 0.740 335 HD1 TRP 43 HD1 TRP 43 -9.985 -9.287 0.869 336 HE1 TRP 43 HE1 TRP 43 -7.962 -8.356 2.167 337 HE3 TRP 43 HE3 TRP 43 -11.436 -4.398 1.279 338 HZ2 TRP 43 HZ2 TRP 43 -7.111 -5.900 3.254 339 HZ3 TRP 43 HZ3 TRP 43 -9.961 -2.826 2.466 340 HH2 TRP 43 HH2 TRP 43 -7.843 -3.564 3.433 341 H THR 44 HN THR 44 -13.790 -5.910 -1.692 342 HA THR 44 HA THR 44 -12.136 -4.329 -3.540 343 HB THR 44 HB THR 44 -15.150 -4.413 -3.268 344 HG1 THR 44 HG1 THR 44 -15.111 -5.943 -4.697 345 1HG2 THR 44 HG2 THR 44 -13.324 -2.894 -5.068 346 2HG2 THR 44 HG2 THR 44 -14.774 -2.354 -4.220 347 3HG2 THR 44 HG2 THR 44 -14.915 -3.399 -5.635 348 H GLY 45 HN GLY 45 -11.401 -2.463 -2.819 349 1HA GLY 45 HA2 GLY 45 -12.978 -0.560 -1.490 350 2HA GLY 45 HA1 GLY 45 -11.996 -1.400 -0.298 351 H ARG 46 HN ARG 46 -11.329 0.998 -0.133 352 HA ARG 46 HA ARG 46 -9.113 1.487 -2.007 353 1HB ARG 46 HB2 ARG 46 -9.396 3.838 -1.689 354 2HB ARG 46 HB1 ARG 46 -10.947 3.138 -2.108 355 1HG ARG 46 HG2 ARG 46 -11.861 3.576 -0.068 356 2HG ARG 46 HG1 ARG 46 -10.311 3.473 0.767 357 1HD ARG 46 HD2 ARG 46 -9.662 5.617 -0.359 358 2HD ARG 46 HD1 ARG 46 -11.314 5.729 -0.962 359 HE ARG 46 HE ARG 46 -11.898 6.570 1.063 360 1HH1 ARG 46 HH1 ARG 46 -9.037 4.617 1.509 361 2HH1 ARG 46 HH1 ARG 46 -8.907 4.969 3.198 362 1HH2 ARG 46 HH2 ARG 46 -11.716 7.053 3.283 363 2HH2 ARG 46 HH2 ARG 46 -10.426 6.356 4.205 364 H LEU 47 HN LEU 47 -7.277 2.648 -1.169 365 HA LEU 47 HA LEU 47 -6.829 2.218 1.701 366 1HB LEU 47 HB2 LEU 47 -5.700 0.572 0.062 367 2HB LEU 47 HB1 LEU 47 -4.660 1.922 -0.356 368 HG LEU 47 HG LEU 47 -4.088 2.084 2.110 369 1HD1 LEU 47 HD1 LEU 47 -4.524 0.245 3.534 370 2HD1 LEU 47 HD1 LEU 47 -5.195 -0.711 2.211 371 3HD1 LEU 47 HD1 LEU 47 -6.068 0.698 2.814 372 1HD2 LEU 47 HD2 LEU 47 -3.326 -0.499 0.767 373 2HD2 LEU 47 HD2 LEU 47 -2.391 0.419 1.947 374 3HD2 LEU 47 HD2 LEU 47 -2.657 1.073 0.330 375 H ARG 48 HN ARG 48 -5.789 3.813 2.772 376 HA ARG 48 HA ARG 48 -4.677 6.061 1.263 377 1HB ARG 48 HB2 ARG 48 -6.889 6.842 1.647 378 2HB ARG 48 HB1 ARG 48 -6.912 6.210 3.286 379 1HG ARG 48 HG2 ARG 48 -5.513 7.910 4.085 380 2HG ARG 48 HG1 ARG 48 -5.012 8.376 2.460 381 1HD ARG 48 HD2 ARG 48 -7.503 8.941 2.103 382 2HD ARG 48 HD1 ARG 48 -7.608 8.901 3.860 383 HE ARG 48 HE ARG 48 -5.734 10.604 3.760 384 1HH1 ARG 48 HH1 ARG 48 -8.187 10.345 1.278 385 2HH1 ARG 48 HH1 ARG 48 -8.003 11.985 0.763 386 1HH2 ARG 48 HH2 ARG 48 -5.505 12.750 3.080 387 2HH2 ARG 48 HH2 ARG 48 -6.483 13.350 1.782 388 H ILE 49 HN ILE 49 -2.952 7.048 2.274 389 HA ILE 49 HA ILE 49 -2.389 6.240 5.036 390 HB ILE 49 HB ILE 49 -0.078 5.760 4.587 391 1HG1 ILE 49 HG1 ILE 49 -0.493 5.981 1.634 392 2HG1 ILE 49 HG1 ILE 49 -0.067 7.416 2.559 393 1HG2 ILE 49 HG2 ILE 49 -2.234 4.257 3.391 394 2HG2 ILE 49 HG2 ILE 49 -0.813 3.687 4.256 395 3HG2 ILE 49 HG2 ILE 49 -0.721 3.997 2.526 396 1HD1 ILE 49 HD1 ILE 49 1.926 6.462 1.666 397 2HD1 ILE 49 HD1 ILE 49 1.511 4.873 2.311 398 3HD1 ILE 49 HD1 ILE 49 1.915 6.190 3.410 399 H THR 50 HN THR 50 -1.027 7.677 6.198 400 HA THR 50 HA THR 50 -0.099 10.112 5.024 401 HB THR 50 HB THR 50 -1.879 11.096 7.004 402 HG1 THR 50 HG1 THR 50 -3.428 9.679 6.832 403 1HG2 THR 50 HG2 THR 50 -2.202 11.319 4.031 404 2HG2 THR 50 HG2 THR 50 -1.066 12.284 4.972 405 3HG2 THR 50 HG2 THR 50 -2.801 12.424 5.263 406 H SER 51 HN SER 51 0.250 11.769 7.029 407 HA SER 51 HA SER 51 0.993 10.435 9.469 408 1HB SER 51 HB2 SER 51 3.389 11.775 8.687 409 2HB SER 51 HB1 SER 51 3.158 10.060 9.021 410 HG SER 51 HG SER 51 2.640 11.315 6.531 411 H LYS 52 HN LYS 52 0.832 11.799 11.133 412 HA LYS 52 HA LYS 52 -0.135 14.413 10.809 413 1HB LYS 52 HB2 LYS 52 1.240 13.429 13.304 414 2HB LYS 52 HB1 LYS 52 -0.063 14.600 13.173 415 1HG LYS 52 HG2 LYS 52 -1.648 12.915 12.666 416 2HG LYS 52 HG1 LYS 52 -0.387 11.705 12.435 417 1HD LYS 52 HD2 LYS 52 -0.472 11.170 14.586 418 2HD LYS 52 HD1 LYS 52 -0.101 12.835 15.036 419 1HE LYS 52 HE2 LYS 52 -2.776 12.890 14.273 420 2HE LYS 52 HE1 LYS 52 -2.603 11.391 15.185 421 1HZ LYS 52 HZ1 LYS 52 -1.683 12.626 17.020 422 2HZ LYS 52 HZ2 LYS 52 -3.181 13.285 16.595 423 3HZ LYS 52 HZ3 LYS 52 -1.754 14.071 16.141 424 H GLY 53 HN GLY 53 3.060 13.295 11.921 425 1HA GLY 53 HA2 GLY 53 4.445 15.356 10.536 426 2HA GLY 53 HA1 GLY 53 4.284 15.760 12.238 427 H LYS 54 HN LYS 54 4.866 13.803 13.726 428 HA LYS 54 HA LYS 54 7.522 12.934 12.889 429 1HB LYS 54 HB2 LYS 54 6.245 12.667 15.617 430 2HB LYS 54 HB1 LYS 54 7.948 12.481 15.220 431 1HG LYS 54 HG2 LYS 54 6.411 15.052 14.917 432 2HG LYS 54 HG1 LYS 54 7.383 14.630 16.327 433 1HD LYS 54 HD2 LYS 54 8.388 14.889 13.492 434 2HD LYS 54 HD1 LYS 54 8.628 16.066 14.783 435 1HE LYS 54 HE2 LYS 54 9.691 13.243 14.686 436 2HE LYS 54 HE1 LYS 54 10.623 14.727 14.509 437 1HZ LYS 54 HZ1 LYS 54 10.231 13.387 16.828 438 2HZ LYS 54 HZ2 LYS 54 9.096 14.633 16.942 439 3HZ LYS 54 HZ3 LYS 54 10.729 14.998 16.704 440 H ILE 55 HN ILE 55 4.351 11.703 13.301 441 HA ILE 55 HA ILE 55 5.375 8.955 13.013 442 HB ILE 55 HB ILE 55 3.111 8.288 14.038 443 1HG1 ILE 55 HG1 ILE 55 3.325 11.050 15.245 444 2HG1 ILE 55 HG1 ILE 55 2.233 10.659 13.921 445 1HG2 ILE 55 HG2 ILE 55 4.551 9.445 16.269 446 2HG2 ILE 55 HG2 ILE 55 5.635 8.677 15.108 447 3HG2 ILE 55 HG2 ILE 55 4.317 7.754 15.828 448 1HD1 ILE 55 HD1 ILE 55 1.416 10.637 16.405 449 2HD1 ILE 55 HD1 ILE 55 2.116 9.019 16.397 450 3HD1 ILE 55 HD1 ILE 55 0.840 9.434 15.251 451 H ALA 56 HN ALA 56 3.434 7.508 12.176 452 HA ALA 56 HA ALA 56 1.886 8.924 10.142 453 1HB ALA 56 HB1 ALA 56 2.625 7.542 8.341 454 2HB ALA 56 HB2 ALA 56 3.596 6.552 9.429 455 3HB ALA 56 HB3 ALA 56 4.051 8.227 9.118 456 H TYR 57 HN TYR 57 -0.046 7.999 9.656 457 HA TYR 57 HA TYR 57 -0.632 5.362 10.817 458 1HB TYR 57 HB2 TYR 57 -2.843 6.199 11.536 459 2HB TYR 57 HB1 TYR 57 -1.525 7.040 12.347 460 HD1 TYR 57 HD1 TYR 57 -4.149 7.340 9.780 461 HD2 TYR 57 HD2 TYR 57 -1.155 9.383 12.009 462 HE1 TYR 57 HE1 TYR 57 -5.071 9.493 9.035 463 HE2 TYR 57 HE2 TYR 57 -2.072 11.541 11.269 464 HH TYR 57 HH TYR 57 -3.925 12.538 10.329 465 H ILE 58 HN ILE 58 -2.037 4.085 9.664 466 HA ILE 58 HA ILE 58 -2.958 5.180 7.087 467 HB ILE 58 HB ILE 58 -2.576 3.024 6.048 468 1HG1 ILE 58 HG1 ILE 58 -0.949 1.597 7.785 469 2HG1 ILE 58 HG1 ILE 58 -2.247 2.174 8.825 470 1HG2 ILE 58 HG2 ILE 58 -0.158 4.026 7.546 471 2HG2 ILE 58 HG2 ILE 58 -0.764 4.632 6.006 472 3HG2 ILE 58 HG2 ILE 58 -0.119 2.995 6.116 473 1HD1 ILE 58 HD1 ILE 58 -2.253 0.000 7.009 474 2HD1 ILE 58 HD1 ILE 58 -3.429 1.193 6.455 475 3HD1 ILE 58 HD1 ILE 58 -3.536 0.542 8.091 476 H LYS 59 HN LYS 59 -4.917 4.386 6.256 477 HA LYS 59 HA LYS 59 -6.580 2.877 8.158 478 1HB LYS 59 HB2 LYS 59 -7.741 5.044 6.436 479 2HB LYS 59 HB1 LYS 59 -8.398 4.327 7.900 480 1HG LYS 59 HG2 LYS 59 -7.701 6.222 8.862 481 2HG LYS 59 HG1 LYS 59 -6.120 5.437 8.857 482 1HD LYS 59 HD2 LYS 59 -5.345 7.107 7.607 483 2HD LYS 59 HD1 LYS 59 -6.433 6.601 6.314 484 1HE LYS 59 HE2 LYS 59 -8.204 8.011 7.292 485 2HE LYS 59 HE1 LYS 59 -7.067 8.552 8.527 486 1HZ LYS 59 HZ1 LYS 59 -6.728 8.949 5.604 487 2HZ LYS 59 HZ2 LYS 59 -5.693 9.520 6.813 488 3HZ LYS 59 HZ3 LYS 59 -7.265 10.130 6.690 489 H LEU 60 HN LEU 60 -8.084 1.470 7.262 490 HA LEU 60 HA LEU 60 -7.925 1.144 4.342 491 1HB LEU 60 HB2 LEU 60 -8.389 -1.355 4.949 492 2HB LEU 60 HB1 LEU 60 -6.757 -0.717 4.975 493 HG LEU 60 HG LEU 60 -8.252 -0.602 7.530 494 1HD1 LEU 60 HD1 LEU 60 -8.946 -2.747 7.107 495 2HD1 LEU 60 HD1 LEU 60 -7.395 -3.032 7.890 496 3HD1 LEU 60 HD1 LEU 60 -7.534 -3.137 6.134 497 1HD2 LEU 60 HD2 LEU 60 -6.168 -0.737 8.472 498 2HD2 LEU 60 HD2 LEU 60 -5.778 0.036 6.936 499 3HD2 LEU 60 HD2 LEU 60 -5.509 -1.695 7.146 500 H GLU 61 HN GLU 61 -9.784 1.000 3.279 501 HA GLU 61 HA GLU 61 -12.185 -0.076 4.268 502 1HB GLU 61 HB2 GLU 61 -13.484 2.111 4.334 503 2HB GLU 61 HB1 GLU 61 -12.442 1.774 5.709 504 1HG GLU 61 HG2 GLU 61 -11.211 3.592 5.355 505 2HG GLU 61 HG1 GLU 61 -11.080 3.269 3.626 506 H ASP 62 HN ASP 62 -14.050 0.444 2.794 507 HA ASP 62 HA ASP 62 -13.162 0.311 0.087 508 1HB ASP 62 HB2 ASP 62 -14.989 -1.112 0.786 509 2HB ASP 62 HB1 ASP 62 -15.944 0.291 1.256 510 H LYS 63 HN LYS 63 -13.382 1.722 -1.528 511 HA LYS 63 HA LYS 63 -13.481 4.475 -0.930 512 1HB LYS 63 HB2 LYS 63 -13.125 4.836 -3.244 513 2HB LYS 63 HB1 LYS 63 -12.246 3.377 -2.829 514 1HG LYS 63 HG2 LYS 63 -13.220 2.510 -4.627 515 2HG LYS 63 HG1 LYS 63 -14.646 2.365 -3.598 516 1HD LYS 63 HD2 LYS 63 -15.325 4.647 -4.356 517 2HD LYS 63 HD1 LYS 63 -13.987 4.606 -5.504 518 1HE LYS 63 HE2 LYS 63 -14.981 3.003 -6.812 519 2HE LYS 63 HE1 LYS 63 -15.933 2.353 -5.478 520 1HZ LYS 63 HZ1 LYS 63 -16.415 4.957 -6.823 521 2HZ LYS 63 HZ2 LYS 63 -17.332 4.312 -5.558 522 3HZ LYS 63 HZ3 LYS 63 -17.316 3.545 -7.065 523 H VAL 64 HN VAL 64 -16.000 2.311 -1.149 524 HA VAL 64 HA VAL 64 -17.903 3.999 -2.487 525 HB VAL 64 HB VAL 64 -18.336 1.500 -0.840 526 1HG1 VAL 64 HG1 VAL 64 -20.519 1.405 -2.048 527 2HG1 VAL 64 HG1 VAL 64 -20.205 3.034 -2.645 528 3HG1 VAL 64 HG1 VAL 64 -20.382 2.748 -0.913 529 1HG2 VAL 64 HG2 VAL 64 -16.996 0.988 -2.761 530 2HG2 VAL 64 HG2 VAL 64 -18.056 1.923 -3.812 531 3HG2 VAL 64 HG2 VAL 64 -18.639 0.431 -3.076 532 H SER 65 HN SER 65 -17.680 2.752 0.877 533 HA SER 65 HA SER 65 -18.167 5.264 2.053 534 1HB SER 65 HB2 SER 65 -20.428 4.665 0.935 535 2HB SER 65 HB1 SER 65 -20.605 3.521 2.266 536 HG SER 65 HG SER 65 -19.837 6.081 2.980 537 H GLY 66 HN GLY 66 -16.300 3.985 3.028 538 1HA GLY 66 HA2 GLY 66 -15.400 2.961 4.876 539 2HA GLY 66 HA1 GLY 66 -16.917 3.339 5.665 540 H GLU 67 HN GLU 67 -15.119 0.905 3.929 541 HA GLU 67 HA GLU 67 -17.162 -1.086 4.027 542 1HB GLU 67 HB2 GLU 67 -15.046 -0.879 2.506 543 2HB GLU 67 HB1 GLU 67 -14.267 -1.801 3.761 544 1HG GLU 67 HG2 GLU 67 -16.446 -3.304 3.406 545 2HG GLU 67 HG1 GLU 67 -16.321 -2.594 1.798 546 H LEU 68 HN LEU 68 -14.292 -2.492 5.112 547 HA LEU 68 HA LEU 68 -15.436 -3.537 7.433 548 1HB LEU 68 HB2 LEU 68 -13.216 -4.424 7.894 549 2HB LEU 68 HB1 LEU 68 -13.676 -4.664 6.218 550 HG LEU 68 HG LEU 68 -12.326 -2.334 6.001 551 1HD1 LEU 68 HD1 LEU 68 -10.483 -3.713 7.822 552 2HD1 LEU 68 HD1 LEU 68 -11.853 -2.911 8.590 553 3HD1 LEU 68 HD1 LEU 68 -10.757 -1.990 7.562 554 1HD2 LEU 68 HD2 LEU 68 -11.182 -5.124 5.959 555 2HD2 LEU 68 HD2 LEU 68 -10.390 -3.701 5.281 556 3HD2 LEU 68 HD2 LEU 68 -11.925 -4.259 4.614 557 H PHE 69 HN PHE 69 -12.868 -1.028 7.144 558 HA PHE 69 HA PHE 69 -12.596 0.860 8.434 559 1HB PHE 69 HB2 PHE 69 -15.039 0.149 9.368 560 2HB PHE 69 HB1 PHE 69 -14.062 -0.116 10.809 561 HD1 PHE 69 HD1 PHE 69 -12.050 2.118 10.301 562 HD2 PHE 69 HD2 PHE 69 -16.301 1.996 10.103 563 HE1 PHE 69 HE1 PHE 69 -12.138 4.531 10.790 564 HE2 PHE 69 HE2 PHE 69 -16.394 4.405 10.590 565 HZ PHE 69 HZ PHE 69 -14.314 5.676 10.932 566 H ALA 70 HN ALA 70 -10.474 0.623 8.830 567 HA ALA 70 HA ALA 70 -9.641 -0.292 11.404 568 1HB ALA 70 HB1 ALA 70 -7.931 -1.889 9.966 569 2HB ALA 70 HB2 ALA 70 -9.481 -2.153 9.171 570 3HB ALA 70 HB3 ALA 70 -9.319 -2.441 10.902 571 H GLN 71 HN GLN 71 -7.401 0.153 11.838 572 HA GLN 71 HA GLN 71 -5.908 1.591 9.786 573 1HB GLN 71 HB2 GLN 71 -5.558 3.552 11.148 574 2HB GLN 71 HB1 GLN 71 -7.286 3.297 10.952 575 1HG GLN 71 HG2 GLN 71 -5.685 2.512 13.378 576 2HG GLN 71 HG1 GLN 71 -6.668 3.968 13.231 577 1HE2 GLN 71 HE2 GLN 71 -8.932 3.194 12.131 578 2HE2 GLN 71 HE2 GLN 71 -9.737 1.999 13.083 579 H ALA 72 HN ALA 72 -3.662 1.941 10.356 580 HA ALA 72 HA ALA 72 -2.717 0.215 12.551 581 1HB ALA 72 HB1 ALA 72 -2.035 -1.163 10.900 582 2HB ALA 72 HB2 ALA 72 -0.691 -0.028 10.785 583 3HB ALA 72 HB3 ALA 72 -2.060 0.111 9.681 584 HA PRO 73 HA PRO 73 -0.794 4.271 13.337 585 1HB PRO 73 HB2 PRO 73 -0.244 3.790 15.946 586 2HB PRO 73 HB1 PRO 73 -1.842 4.293 15.385 587 1HG PRO 73 HG2 PRO 73 -0.851 1.553 16.067 588 2HG PRO 73 HG1 PRO 73 -2.399 2.316 16.474 589 1HD PRO 73 HD2 PRO 73 -2.125 0.550 14.435 590 2HD PRO 73 HD1 PRO 73 -3.301 1.878 14.399 591 H VAL 74 HN VAL 74 1.286 4.704 12.909 592 HA VAL 74 HA VAL 74 3.328 2.769 13.772 593 HB VAL 74 HB VAL 74 3.650 4.183 11.153 594 1HG1 VAL 74 HG1 VAL 74 5.606 3.135 11.376 595 2HG1 VAL 74 HG1 VAL 74 4.720 1.657 10.993 596 3HG1 VAL 74 HG1 VAL 74 4.996 2.109 12.674 597 1HG2 VAL 74 HG2 VAL 74 2.814 1.575 10.558 598 2HG2 VAL 74 HG2 VAL 74 1.971 3.080 10.199 599 3HG2 VAL 74 HG2 VAL 74 1.624 2.211 11.690 600 H GLU 75 HN GLU 75 5.456 3.617 14.020 601 HA GLU 75 HA GLU 75 5.482 6.290 15.076 602 1HB GLU 75 HB2 GLU 75 7.714 4.274 14.748 603 2HB GLU 75 HB1 GLU 75 7.846 5.789 15.629 604 1HG GLU 75 HG2 GLU 75 5.828 3.685 16.337 605 2HG GLU 75 HG1 GLU 75 7.463 3.698 16.995 606 H GLN 76 HN GLN 76 5.741 5.171 11.978 607 HA GLN 76 HA GLN 76 6.571 5.981 10.025 608 1HB GLN 76 HB2 GLN 76 5.208 7.899 10.696 609 2HB GLN 76 HB1 GLN 76 6.573 8.568 11.576 610 1HG GLN 76 HG2 GLN 76 7.221 7.983 8.813 611 2HG GLN 76 HG1 GLN 76 5.875 9.111 8.967 612 1HE2 GLN 76 HE2 GLN 76 8.831 9.296 8.196 613 2HE2 GLN 76 HE2 GLN 76 9.401 10.651 9.104 614 H TYR 77 HN TYR 77 8.531 4.754 10.361 615 HA TYR 77 HA TYR 77 10.831 6.437 10.104 616 1HB TYR 77 HB2 TYR 77 10.446 6.059 12.634 617 2HB TYR 77 HB1 TYR 77 11.030 4.435 12.336 618 HD1 TYR 77 HD1 TYR 77 13.240 4.677 10.556 619 HD2 TYR 77 HD2 TYR 77 12.055 7.311 13.687 620 HE1 TYR 77 HE1 TYR 77 15.562 5.467 10.772 621 HE2 TYR 77 HE2 TYR 77 14.369 8.107 13.903 622 HH TYR 77 HH TYR 77 16.740 7.033 13.339 623 HA PRO 78 HA PRO 78 12.224 1.961 9.133 624 1HB PRO 78 HB2 PRO 78 10.572 -0.102 9.732 625 2HB PRO 78 HB1 PRO 78 11.786 0.517 10.848 626 1HG PRO 78 HG2 PRO 78 8.849 1.026 10.759 627 2HG PRO 78 HG1 PRO 78 9.898 0.743 12.156 628 1HD PRO 78 HD2 PRO 78 9.055 3.211 11.414 629 2HD PRO 78 HD1 PRO 78 10.600 2.909 12.232 630 H GLY 79 HN GLY 79 10.972 3.532 7.406 631 1HA GLY 79 HA2 GLY 79 8.667 2.480 6.138 632 2HA GLY 79 HA1 GLY 79 9.816 3.599 5.414 633 H ILE 80 HN ILE 80 8.539 0.519 5.272 634 HA ILE 80 HA ILE 80 9.955 -0.263 3.022 635 HB ILE 80 HB ILE 80 11.791 -0.507 4.756 636 1HG1 ILE 80 HG1 ILE 80 12.766 -2.303 3.672 637 2HG1 ILE 80 HG1 ILE 80 11.278 -3.231 3.627 638 1HG2 ILE 80 HG2 ILE 80 10.823 -3.096 5.682 639 2HG2 ILE 80 HG2 ILE 80 9.865 -1.731 6.255 640 3HG2 ILE 80 HG2 ILE 80 11.599 -1.784 6.566 641 1HD1 ILE 80 HD1 ILE 80 10.468 -1.508 1.922 642 2HD1 ILE 80 HD1 ILE 80 11.697 -2.662 1.410 643 3HD1 ILE 80 HD1 ILE 80 12.157 -1.010 1.823 644 H ALA 81 HN ALA 81 9.830 -3.208 4.017 645 HA ALA 81 HA ALA 81 8.322 -4.888 4.069 646 1HB ALA 81 HB1 ALA 81 6.248 -2.940 5.001 647 2HB ALA 81 HB2 ALA 81 7.565 -3.445 6.059 648 3HB ALA 81 HB3 ALA 81 6.453 -4.635 5.411 649 H VAL 82 HN VAL 82 8.663 -4.419 1.663 650 HA VAL 82 HA VAL 82 6.024 -4.307 0.421 651 HB VAL 82 HB VAL 82 6.831 -2.870 -1.413 652 1HG1 VAL 82 HG1 VAL 82 7.088 -0.737 0.047 653 2HG1 VAL 82 HG1 VAL 82 6.766 -1.833 1.389 654 3HG1 VAL 82 HG1 VAL 82 5.579 -1.649 0.098 655 1HG2 VAL 82 HG2 VAL 82 9.351 -3.394 -0.331 656 2HG2 VAL 82 HG2 VAL 82 9.070 -1.679 -0.042 657 3HG2 VAL 82 HG2 VAL 82 8.971 -2.325 -1.680 658 H GLU 83 HN GLU 83 5.797 -5.820 -1.126 659 HA GLU 83 HA GLU 83 8.209 -6.968 -2.330 660 1HB GLU 83 HB2 GLU 83 6.875 -8.275 -0.322 661 2HB GLU 83 HB1 GLU 83 6.119 -8.947 -1.761 662 1HG GLU 83 HG2 GLU 83 9.079 -8.788 -1.692 663 2HG GLU 83 HG1 GLU 83 8.287 -10.006 -0.693 664 H THR 84 HN THR 84 7.977 -7.713 -4.401 665 HA THR 84 HA THR 84 5.344 -7.219 -5.629 666 HB THR 84 HB THR 84 6.919 -6.945 -7.753 667 HG1 THR 84 HG1 THR 84 8.920 -6.972 -7.124 668 1HG2 THR 84 HG2 THR 84 7.215 -4.450 -6.464 669 2HG2 THR 84 HG2 THR 84 5.654 -5.125 -5.995 670 3HG2 THR 84 HG2 THR 84 6.052 -4.924 -7.702 671 H VAL 85 HN VAL 85 5.311 -8.276 -7.853 672 HA VAL 85 HA VAL 85 5.344 -11.083 -7.479 673 HB VAL 85 HB VAL 85 4.711 -11.073 -9.942 674 1HG1 VAL 85 HG1 VAL 85 3.264 -10.545 -7.660 675 2HG1 VAL 85 HG1 VAL 85 2.588 -10.897 -9.246 676 3HG1 VAL 85 HG1 VAL 85 2.804 -9.230 -8.736 677 1HG2 VAL 85 HG2 VAL 85 4.784 -9.187 -11.165 678 2HG2 VAL 85 HG2 VAL 85 5.836 -8.559 -9.906 679 3HG2 VAL 85 HG2 VAL 85 4.106 -8.212 -9.869 680 H THR 86 HN THR 86 7.236 -12.138 -7.387 681 HA THR 86 HA THR 86 9.611 -11.370 -8.685 682 HB THR 86 HB THR 86 9.469 -14.219 -8.112 683 HG1 THR 86 HG1 THR 86 8.780 -12.442 -6.015 684 1HG2 THR 86 HG2 THR 86 11.167 -11.933 -7.465 685 2HG2 THR 86 HG2 THR 86 11.589 -13.618 -7.769 686 3HG2 THR 86 HG2 THR 86 11.022 -13.125 -6.173 687 H ASP 87 HN ASP 87 7.012 -13.579 -9.640 688 HA ASP 87 HA ASP 87 8.487 -14.239 -12.083 689 1HB ASP 87 HB2 ASP 87 6.507 -15.622 -10.447 690 2HB ASP 87 HB1 ASP 87 6.089 -15.645 -12.157 691 H SER 88 HN SER 88 6.810 -11.705 -11.298 692 HA SER 88 HA SER 88 5.616 -10.152 -12.444 693 1HB SER 88 HB2 SER 88 5.782 -11.830 -14.931 694 2HB SER 88 HB1 SER 88 5.747 -10.073 -14.780 695 HG SER 88 HG SER 88 7.835 -10.476 -15.127 696 H SER 89 HN SER 89 3.618 -10.243 -11.588 697 HA SER 89 HA SER 89 1.638 -11.819 -13.028 698 1HB SER 89 HB2 SER 89 2.511 -12.645 -10.557 699 2HB SER 89 HB1 SER 89 1.083 -11.691 -10.154 700 HG SER 89 HG SER 89 0.967 -14.097 -10.837 701 H ARG 90 HN ARG 90 -0.612 -11.127 -12.359 702 HA ARG 90 HA ARG 90 -0.787 -8.292 -12.690 703 1HB ARG 90 HB2 ARG 90 -3.200 -8.689 -12.910 704 2HB ARG 90 HB1 ARG 90 -2.245 -9.744 -13.944 705 1HG ARG 90 HG2 ARG 90 -3.068 -10.742 -11.265 706 2HG ARG 90 HG1 ARG 90 -4.270 -10.660 -12.554 707 1HD ARG 90 HD2 ARG 90 -3.199 -12.246 -13.839 708 2HD ARG 90 HD1 ARG 90 -1.629 -11.933 -13.111 709 HE ARG 90 HE ARG 90 -2.793 -12.976 -11.036 710 1HH1 ARG 90 HH1 ARG 90 -3.129 -13.993 -14.360 711 2HH1 ARG 90 HH1 ARG 90 -3.521 -15.627 -13.948 712 1HH2 ARG 90 HH2 ARG 90 -3.311 -15.119 -10.493 713 2HH2 ARG 90 HH2 ARG 90 -3.623 -16.269 -11.751 714 H TYR 91 HN TYR 91 0.196 -9.205 -10.026 715 HA TYR 91 HA TYR 91 -1.565 -7.509 -8.457 716 1HB TYR 91 HB2 TYR 91 -2.305 -9.064 -6.956 717 2HB TYR 91 HB1 TYR 91 -2.030 -10.172 -8.294 718 HD1 TYR 91 HD1 TYR 91 -1.178 -9.413 -4.907 719 HD2 TYR 91 HD2 TYR 91 0.251 -11.297 -8.438 720 HE1 TYR 91 HE1 TYR 91 0.465 -10.666 -3.568 721 HE2 TYR 91 HE2 TYR 91 1.880 -12.545 -7.118 722 HH TYR 91 HH TYR 91 2.027 -13.334 -4.604 723 H PHE 92 HN PHE 92 -0.450 -7.743 -5.984 724 HA PHE 92 HA PHE 92 2.392 -7.909 -5.997 725 1HB PHE 92 HB2 PHE 92 2.570 -5.366 -5.354 726 2HB PHE 92 HB1 PHE 92 2.595 -5.856 -7.045 727 HD1 PHE 92 HD1 PHE 92 0.892 -3.982 -4.512 728 HD2 PHE 92 HD2 PHE 92 0.498 -5.650 -8.399 729 HE1 PHE 92 HE1 PHE 92 -1.058 -2.537 -4.941 730 HE2 PHE 92 HE2 PHE 92 -1.437 -4.218 -8.829 731 HZ PHE 92 HZ PHE 92 -2.222 -2.649 -7.098 732 H VAL 93 HN VAL 93 3.294 -7.141 -3.861 733 HA VAL 93 HA VAL 93 1.252 -7.471 -1.759 734 HB VAL 93 HB VAL 93 4.151 -8.279 -1.537 735 1HG1 VAL 93 HG1 VAL 93 2.910 -7.831 0.567 736 2HG1 VAL 93 HG1 VAL 93 3.455 -9.500 0.411 737 3HG1 VAL 93 HG1 VAL 93 1.766 -9.094 0.116 738 1HG2 VAL 93 HG2 VAL 93 3.485 -10.557 -1.958 739 2HG2 VAL 93 HG2 VAL 93 2.986 -9.551 -3.319 740 3HG2 VAL 93 HG2 VAL 93 1.797 -10.071 -2.125 741 H ILE 94 HN ILE 94 1.262 -6.107 -0.009 742 HA ILE 94 HA ILE 94 3.399 -4.088 0.133 743 HB ILE 94 HB ILE 94 1.459 -3.084 -0.987 744 1HG1 ILE 94 HG1 ILE 94 2.976 -1.902 0.784 745 2HG1 ILE 94 HG1 ILE 94 1.537 -1.080 0.192 746 1HG2 ILE 94 HG2 ILE 94 -0.658 -2.798 0.197 747 2HG2 ILE 94 HG2 ILE 94 -0.023 -3.715 1.562 748 3HG2 ILE 94 HG2 ILE 94 -0.271 -4.509 0.010 749 1HD1 ILE 94 HD1 ILE 94 0.918 -2.684 2.499 750 2HD1 ILE 94 HD1 ILE 94 0.700 -0.956 2.236 751 3HD1 ILE 94 HD1 ILE 94 2.240 -1.569 2.837 752 H ARG 95 HN ARG 95 4.010 -3.499 2.155 753 HA ARG 95 HA ARG 95 2.415 -4.370 4.434 754 1HB ARG 95 HB2 ARG 95 3.962 -6.211 3.998 755 2HB ARG 95 HB1 ARG 95 5.319 -5.108 4.043 756 1HG ARG 95 HG2 ARG 95 4.805 -4.613 6.406 757 2HG ARG 95 HG1 ARG 95 3.511 -5.794 6.340 758 1HD ARG 95 HD2 ARG 95 5.618 -7.222 5.388 759 2HD ARG 95 HD1 ARG 95 6.389 -6.171 6.573 760 HE ARG 95 HE ARG 95 4.054 -7.799 7.312 761 1HH1 ARG 95 HH1 ARG 95 7.387 -6.887 7.828 762 2HH1 ARG 95 HH1 ARG 95 7.541 -7.832 9.268 763 1HH2 ARG 95 HH2 ARG 95 4.262 -9.030 9.199 764 2HH2 ARG 95 HH2 ARG 95 5.774 -9.050 10.043 765 H ILE 96 HN ILE 96 3.229 -3.446 6.488 766 HA ILE 96 HA ILE 96 4.651 -0.897 6.072 767 HB ILE 96 HB ILE 96 2.436 -1.308 8.085 768 1HG1 ILE 96 HG1 ILE 96 1.534 -1.523 5.795 769 2HG1 ILE 96 HG1 ILE 96 0.965 -0.055 6.585 770 1HG2 ILE 96 HG2 ILE 96 3.101 1.380 7.107 771 2HG2 ILE 96 HG2 ILE 96 4.375 0.586 8.028 772 3HG2 ILE 96 HG2 ILE 96 2.783 0.811 8.746 773 1HD1 ILE 96 HD1 ILE 96 2.638 1.239 5.351 774 2HD1 ILE 96 HD1 ILE 96 1.535 0.376 4.277 775 3HD1 ILE 96 HD1 ILE 96 3.167 -0.236 4.544 776 H GLN 97 HN GLN 97 6.030 -0.242 7.767 777 HA GLN 97 HA GLN 97 6.607 -2.368 9.739 778 1HB GLN 97 HB2 GLN 97 8.324 -1.464 7.826 779 2HB GLN 97 HB1 GLN 97 8.746 -0.427 9.182 780 1HG GLN 97 HG2 GLN 97 9.277 -2.299 10.553 781 2HG GLN 97 HG1 GLN 97 8.629 -3.424 9.360 782 1HE2 GLN 97 HE2 GLN 97 10.355 -4.573 8.778 783 2HE2 GLN 97 HE2 GLN 97 11.823 -3.915 8.146 784 H ASP 98 HN ASP 98 6.749 -1.851 11.877 785 HA ASP 98 HA ASP 98 6.501 0.996 12.574 786 1HB ASP 98 HB2 ASP 98 4.335 -0.164 12.871 787 2HB ASP 98 HB1 ASP 98 5.112 -1.312 13.952 788 H GLY 99 HN GLY 99 8.422 1.509 13.359 789 1HA GLY 99 HA2 GLY 99 10.186 1.598 14.809 790 2HA GLY 99 HA1 GLY 99 9.292 0.506 15.851 791 H THR 100 HN THR 100 9.563 -0.975 12.885 792 HA THR 100 HA THR 100 10.997 -2.462 11.924 793 HB THR 100 HB THR 100 13.243 -2.576 12.416 794 HG1 THR 100 HG1 THR 100 14.092 -2.168 14.496 795 1HG2 THR 100 HG2 THR 100 12.229 -0.041 12.428 796 2HG2 THR 100 HG2 THR 100 13.930 -0.479 12.286 797 3HG2 THR 100 HG2 THR 100 13.252 -0.067 13.861 798 H GLY 101 HN GLY 101 10.223 -2.531 15.315 799 1HA GLY 101 HA2 GLY 101 10.766 -5.327 15.678 800 2HA GLY 101 HA1 GLY 101 9.919 -4.273 16.799 801 H ARG 102 HN ARG 102 7.736 -3.471 15.661 802 HA ARG 102 HA ARG 102 6.328 -5.959 14.927 803 1HB ARG 102 HB2 ARG 102 5.682 -4.813 17.077 804 2HB ARG 102 HB1 ARG 102 5.104 -3.461 16.112 805 1HG ARG 102 HG2 ARG 102 3.199 -4.710 16.589 806 2HG ARG 102 HG1 ARG 102 3.613 -5.156 14.933 807 1HD ARG 102 HD2 ARG 102 3.400 -7.261 15.685 808 2HD ARG 102 HD1 ARG 102 5.014 -7.006 16.343 809 HE ARG 102 HE ARG 102 2.489 -6.895 17.842 810 1HH1 ARG 102 HH1 ARG 102 5.988 -6.941 17.825 811 2HH1 ARG 102 HH1 ARG 102 6.110 -7.251 19.522 812 1HH2 ARG 102 HH2 ARG 102 2.662 -7.301 20.073 813 2HH2 ARG 102 HH2 ARG 102 4.228 -7.455 20.797 814 H SER 103 HN SER 103 5.085 -6.069 13.122 815 HA SER 103 HA SER 103 4.306 -3.730 11.640 816 1HB SER 103 HB2 SER 103 5.947 -5.486 9.938 817 2HB SER 103 HB1 SER 103 5.827 -3.735 9.975 818 HG SER 103 HG SER 103 7.358 -5.401 11.668 819 H ALA 104 HN ALA 104 3.021 -4.260 9.714 820 HA ALA 104 HA ALA 104 2.047 -7.044 9.665 821 1HB ALA 104 HB1 ALA 104 0.098 -6.455 10.545 822 2HB ALA 104 HB2 ALA 104 -0.185 -5.397 9.162 823 3HB ALA 104 HB3 ALA 104 0.601 -4.766 10.610 824 H PHE 105 HN PHE 105 1.479 -7.847 7.645 825 HA PHE 105 HA PHE 105 1.866 -5.990 5.391 826 1HB PHE 105 HB2 PHE 105 3.099 -7.520 4.264 827 2HB PHE 105 HB1 PHE 105 3.401 -8.151 5.867 828 HD1 PHE 105 HD1 PHE 105 1.344 -8.578 2.831 829 HD2 PHE 105 HD2 PHE 105 2.727 -10.327 6.457 830 HE1 PHE 105 HE1 PHE 105 0.465 -10.760 2.108 831 HE2 PHE 105 HE2 PHE 105 1.847 -12.512 5.741 832 HZ PHE 105 HZ PHE 105 0.714 -12.730 3.565 833 H ILE 106 HN ILE 106 0.657 -6.302 3.487 834 HA ILE 106 HA ILE 106 -1.727 -7.976 3.639 835 HB ILE 106 HB ILE 106 -2.025 -5.068 2.924 836 1HG1 ILE 106 HG1 ILE 106 -1.212 -5.386 5.330 837 2HG1 ILE 106 HG1 ILE 106 -2.704 -4.487 5.111 838 1HG2 ILE 106 HG2 ILE 106 -3.884 -7.344 3.469 839 2HG2 ILE 106 HG2 ILE 106 -3.836 -6.237 2.097 840 3HG2 ILE 106 HG2 ILE 106 -4.426 -5.676 3.661 841 1HD1 ILE 106 HD1 ILE 106 -3.417 -5.813 6.772 842 2HD1 ILE 106 HD1 ILE 106 -2.229 -7.066 6.434 843 3HD1 ILE 106 HD1 ILE 106 -3.699 -6.965 5.469 844 H GLY 107 HN GLY 107 -2.883 -7.977 1.505 845 1HA GLY 107 HA2 GLY 107 -0.912 -7.643 -0.664 846 2HA GLY 107 HA1 GLY 107 -2.230 -8.804 -0.674 847 H ILE 108 HN ILE 108 -1.355 -6.447 -2.441 848 HA ILE 108 HA ILE 108 -4.059 -5.313 -2.701 849 HB ILE 108 HB ILE 108 -2.849 -3.167 -3.473 850 1HG1 ILE 108 HG1 ILE 108 -0.704 -4.326 -1.693 851 2HG1 ILE 108 HG1 ILE 108 -0.600 -4.255 -3.437 852 1HG2 ILE 108 HG2 ILE 108 -2.409 -3.216 -0.609 853 2HG2 ILE 108 HG2 ILE 108 -3.935 -3.976 -1.053 854 3HG2 ILE 108 HG2 ILE 108 -3.597 -2.319 -1.552 855 1HD1 ILE 108 HD1 ILE 108 -0.913 -1.747 -3.196 856 2HD1 ILE 108 HD1 ILE 108 0.631 -2.418 -2.676 857 3HD1 ILE 108 HD1 ILE 108 -0.594 -1.989 -1.482 858 H GLY 109 HN GLY 109 -4.753 -4.960 -4.800 859 1HA GLY 109 HA2 GLY 109 -3.040 -4.958 -7.050 860 2HA GLY 109 HA1 GLY 109 -3.719 -6.554 -6.830 861 H PHE 110 HN PHE 110 -4.562 -6.032 -9.011 862 HA PHE 110 HA PHE 110 -7.287 -5.100 -8.780 863 1HB PHE 110 HB2 PHE 110 -5.518 -3.174 -9.445 864 2HB PHE 110 HB1 PHE 110 -5.851 -3.834 -11.043 865 HD1 PHE 110 HD1 PHE 110 -8.111 -3.418 -8.124 866 HD2 PHE 110 HD2 PHE 110 -7.162 -2.248 -12.102 867 HE1 PHE 110 HE1 PHE 110 -10.183 -2.097 -8.226 868 HE2 PHE 110 HE2 PHE 110 -9.232 -0.922 -12.209 869 HZ PHE 110 HZ PHE 110 -10.744 -0.845 -10.269 870 H THR 111 HN THR 111 -8.509 -5.456 -10.794 871 HA THR 111 HA THR 111 -8.004 -8.026 -11.848 872 HB THR 111 HB THR 111 -9.903 -7.377 -13.440 873 HG1 THR 111 HG1 THR 111 -10.576 -5.400 -13.402 874 1HG2 THR 111 HG2 THR 111 -11.588 -7.166 -11.539 875 2HG2 THR 111 HG2 THR 111 -10.200 -7.312 -10.462 876 3HG2 THR 111 HG2 THR 111 -10.583 -8.614 -11.588 877 H ASP 112 HN ASP 112 -6.488 -5.160 -12.599 878 HA ASP 112 HA ASP 112 -5.500 -6.260 -15.097 879 1HB ASP 112 HB2 ASP 112 -7.455 -4.223 -15.089 880 2HB ASP 112 HB1 ASP 112 -5.932 -3.437 -15.491 881 H ARG 113 HN ARG 113 -3.609 -4.986 -15.910 882 HA ARG 113 HA ARG 113 -1.912 -4.299 -13.659 883 1HB ARG 113 HB2 ARG 113 -0.125 -4.166 -15.413 884 2HB ARG 113 HB1 ARG 113 -0.923 -5.728 -15.298 885 1HG ARG 113 HG2 ARG 113 -2.015 -5.470 -17.311 886 2HG ARG 113 HG1 ARG 113 -1.894 -3.710 -17.272 887 1HD ARG 113 HD2 ARG 113 0.682 -5.117 -17.320 888 2HD ARG 113 HD1 ARG 113 -0.308 -5.356 -18.755 889 HE ARG 113 HE ARG 113 -0.146 -3.069 -19.233 890 1HH1 ARG 113 HH1 ARG 113 1.595 -3.899 -16.316 891 2HH1 ARG 113 HH1 ARG 113 2.497 -2.424 -16.293 892 1HH2 ARG 113 HH2 ARG 113 1.036 -1.132 -19.191 893 2HH2 ARG 113 HH2 ARG 113 2.182 -0.854 -17.923 894 H GLY 114 HN GLY 114 -3.500 -2.713 -16.336 895 1HA GLY 114 HA2 GLY 114 -2.099 -0.319 -16.468 896 2HA GLY 114 HA1 GLY 114 -3.809 -0.494 -16.823 897 H ASP 115 HN ASP 115 -5.054 -0.897 -14.534 898 HA ASP 115 HA ASP 115 -4.967 1.621 -13.270 899 1HB ASP 115 HB2 ASP 115 -6.694 -0.606 -13.273 900 2HB ASP 115 HB1 ASP 115 -6.237 -0.349 -11.591 901 H ALA 116 HN ALA 116 -3.914 -1.584 -12.197 902 HA ALA 116 HA ALA 116 -3.040 -0.972 -9.650 903 1HB ALA 116 HB1 ALA 116 -1.294 -2.822 -11.111 904 2HB ALA 116 HB2 ALA 116 -3.015 -3.197 -11.200 905 3HB ALA 116 HB3 ALA 116 -2.225 -3.055 -9.634 906 H PHE 117 HN PHE 117 -1.669 -0.053 -12.680 907 HA PHE 117 HA PHE 117 0.970 0.481 -11.712 908 1HB PHE 117 HB2 PHE 117 0.785 0.048 -14.033 909 2HB PHE 117 HB1 PHE 117 -0.522 1.206 -14.228 910 HD1 PHE 117 HD1 PHE 117 -0.080 3.392 -14.892 911 HD2 PHE 117 HD2 PHE 117 3.099 0.956 -13.450 912 HE1 PHE 117 HE1 PHE 117 1.542 5.109 -15.581 913 HE2 PHE 117 HE2 PHE 117 4.727 2.670 -14.136 914 HZ PHE 117 HZ PHE 117 3.949 4.749 -15.203 915 H ASP 118 HN ASP 118 -1.704 2.625 -12.737 916 HA ASP 118 HA ASP 118 -0.602 5.044 -12.030 917 1HB ASP 118 HB2 ASP 118 -2.790 4.674 -13.218 918 2HB ASP 118 HB1 ASP 118 -3.519 4.358 -11.645 919 H PHE 119 HN PHE 119 -2.381 2.803 -9.912 920 HA PHE 119 HA PHE 119 -2.362 4.483 -7.641 921 1HB PHE 119 HB2 PHE 119 -3.857 2.814 -7.231 922 2HB PHE 119 HB1 PHE 119 -2.961 1.637 -8.184 923 HD1 PHE 119 HD1 PHE 119 -1.297 0.228 -7.176 924 HD2 PHE 119 HD2 PHE 119 -3.341 3.155 -4.861 925 HE1 PHE 119 HE1 PHE 119 -0.456 -0.811 -5.114 926 HE2 PHE 119 HE2 PHE 119 -2.508 2.117 -2.801 927 HZ PHE 119 HZ PHE 119 -1.062 0.131 -2.924 928 H ASN 120 HN ASN 120 -0.360 1.599 -8.295 929 HA ASN 120 HA ASN 120 1.379 1.765 -6.193 930 1HB ASN 120 HB2 ASN 120 1.340 0.460 -8.761 931 2HB ASN 120 HB1 ASN 120 2.976 0.996 -8.385 932 1HD2 ASN 120 HD2 ASN 120 0.801 -1.456 -8.031 933 2HD2 ASN 120 HD2 ASN 120 1.513 -2.270 -6.685 934 H VAL 121 HN VAL 121 1.805 3.342 -9.362 935 HA VAL 121 HA VAL 121 4.245 4.598 -8.714 936 HB VAL 121 HB VAL 121 3.875 6.023 -10.656 937 1HG1 VAL 121 HG1 VAL 121 4.596 3.638 -10.895 938 2HG1 VAL 121 HG1 VAL 121 3.826 4.325 -12.325 939 3HG1 VAL 121 HG1 VAL 121 2.922 3.235 -11.275 940 1HG2 VAL 121 HG2 VAL 121 1.208 5.833 -10.034 941 2HG2 VAL 121 HG2 VAL 121 1.342 4.844 -11.485 942 3HG2 VAL 121 HG2 VAL 121 1.872 6.525 -11.511 943 H SER 122 HN SER 122 0.956 5.410 -7.967 944 HA SER 122 HA SER 122 1.353 8.184 -7.489 945 1HB SER 122 HB2 SER 122 -0.839 8.222 -6.696 946 2HB SER 122 HB1 SER 122 -0.866 6.845 -7.798 947 HG SER 122 HG SER 122 -0.967 6.910 -5.012 948 H LEU 123 HN LEU 123 1.140 5.382 -5.289 949 HA LEU 123 HA LEU 123 1.641 6.755 -2.908 950 1HB LEU 123 HB2 LEU 123 0.828 4.388 -3.148 951 2HB LEU 123 HB1 LEU 123 2.473 3.925 -3.538 952 HG LEU 123 HG LEU 123 2.319 5.438 -1.055 953 1HD1 LEU 123 HD1 LEU 123 0.374 4.539 -0.354 954 2HD1 LEU 123 HD1 LEU 123 1.403 3.153 0.008 955 3HD1 LEU 123 HD1 LEU 123 0.461 3.188 -1.484 956 1HD2 LEU 123 HD2 LEU 123 3.287 2.854 -0.616 957 2HD2 LEU 123 HD2 LEU 123 4.228 4.318 -0.897 958 3HD2 LEU 123 HD2 LEU 123 3.795 3.276 -2.251 959 H GLN 124 HN GLN 124 3.842 5.389 -5.285 960 HA GLN 124 HA GLN 124 6.208 5.711 -3.773 961 1HB GLN 124 HB2 GLN 124 5.495 4.763 -6.355 962 2HB GLN 124 HB1 GLN 124 6.769 5.957 -6.567 963 1HG GLN 124 HG2 GLN 124 7.676 3.718 -6.343 964 2HG GLN 124 HG1 GLN 124 8.179 4.754 -5.008 965 1HE2 GLN 124 HE2 GLN 124 8.496 2.204 -4.557 966 2HE2 GLN 124 HE2 GLN 124 7.278 1.557 -3.516 967 H ASP 125 HN ASP 125 4.862 7.689 -6.419 968 HA ASP 125 HA ASP 125 6.733 9.716 -6.439 969 1HB ASP 125 HB2 ASP 125 3.797 9.657 -7.068 970 2HB ASP 125 HB1 ASP 125 4.690 11.173 -7.148 971 H HIS 126 HN HIS 126 3.918 9.345 -4.327 972 HA HIS 126 HA HIS 126 4.212 11.871 -3.055 973 1HB HIS 126 HB2 HIS 126 2.666 9.370 -2.432 974 2HB HIS 126 HB1 HIS 126 2.761 10.671 -1.248 975 HD2 HIS 126 HD2 HIS 126 2.559 12.538 -4.409 976 HE1 HIS 126 HE1 HIS 126 -1.487 11.651 -3.482 977 HE2 HIS 126 HE2 HIS 126 0.069 12.973 -4.960 978 H PHE 127 HN PHE 127 5.028 8.562 -2.010 979 HA PHE 127 HA PHE 127 6.241 9.335 0.408 980 1HB PHE 127 HB2 PHE 127 5.420 7.023 -0.224 981 2HB PHE 127 HB1 PHE 127 6.907 6.834 -1.141 982 HD1 PHE 127 HD1 PHE 127 9.112 7.308 0.200 983 HD2 PHE 127 HD2 PHE 127 5.364 6.347 1.970 984 HE1 PHE 127 HE1 PHE 127 10.270 6.566 2.240 985 HE2 PHE 127 HE2 PHE 127 6.515 5.604 4.014 986 HZ PHE 127 HZ PHE 127 8.971 5.715 4.151 987 H LYS 128 HN LYS 128 8.158 7.685 -2.091 988 HA LYS 128 HA LYS 128 10.418 9.374 -1.386 989 1HB LYS 128 HB2 LYS 128 11.695 7.822 -2.880 990 2HB LYS 128 HB1 LYS 128 10.906 7.034 -1.521 991 1HG LYS 128 HG2 LYS 128 9.220 7.095 -3.878 992 2HG LYS 128 HG1 LYS 128 10.759 6.288 -4.175 993 1HD LYS 128 HD2 LYS 128 9.839 5.388 -1.661 994 2HD LYS 128 HD1 LYS 128 8.457 5.334 -2.755 995 1HE LYS 128 HE2 LYS 128 9.970 3.263 -2.598 996 2HE LYS 128 HE1 LYS 128 9.501 3.834 -4.195 997 1HZ LYS 128 HZ1 LYS 128 11.999 4.833 -3.047 998 2HZ LYS 128 HZ2 LYS 128 11.594 4.542 -4.663 999 3HZ LYS 128 HZ3 LYS 128 11.969 3.249 -3.640 1000 H TRP 129 HN TRP 129 11.547 10.699 -2.824 1001 HA TRP 129 HA TRP 129 10.646 10.965 -5.555 1002 1HB TRP 129 HB2 TRP 129 9.028 12.375 -4.376 1003 2HB TRP 129 HB1 TRP 129 10.339 13.242 -3.584 1004 HD1 TRP 129 HD1 TRP 129 12.054 14.572 -5.434 1005 HE1 TRP 129 HE1 TRP 129 11.347 15.949 -7.484 1006 HE3 TRP 129 HE3 TRP 129 7.346 12.688 -6.089 1007 HZ2 TRP 129 HZ2 TRP 129 9.087 16.207 -9.163 1008 HZ3 TRP 129 HZ3 TRP 129 5.976 13.555 -7.940 1009 HH2 TRP 129 HH2 TRP 129 6.830 15.279 -9.445 1010 H VAL 130 HN VAL 130 12.751 10.434 -6.115 1011 HA VAL 130 HA VAL 130 14.646 12.621 -5.976 1012 HB VAL 130 HB VAL 130 15.425 9.897 -4.917 1013 1HG1 VAL 130 HG1 VAL 130 17.591 10.708 -4.627 1014 2HG1 VAL 130 HG1 VAL 130 17.086 12.390 -4.794 1015 3HG1 VAL 130 HG1 VAL 130 17.127 11.336 -6.208 1016 1HG2 VAL 130 HG2 VAL 130 15.029 12.513 -3.468 1017 2HG2 VAL 130 HG2 VAL 130 15.731 11.059 -2.761 1018 3HG2 VAL 130 HG2 VAL 130 14.052 11.056 -3.294 1019 H LYS 131 HN LYS 131 14.360 9.167 -6.817 1020 HA LYS 131 HA LYS 131 15.908 9.632 -9.245 1021 1HB LYS 131 HB2 LYS 131 15.233 7.299 -7.580 1022 2HB LYS 131 HB1 LYS 131 15.236 6.985 -9.310 1023 1HG LYS 131 HG2 LYS 131 17.507 7.659 -9.511 1024 2HG LYS 131 HG1 LYS 131 17.529 8.280 -7.860 1025 1HD LYS 131 HD2 LYS 131 17.138 5.977 -7.034 1026 2HD LYS 131 HD1 LYS 131 17.237 5.395 -8.697 1027 1HE LYS 131 HE2 LYS 131 19.497 5.750 -8.833 1028 2HE LYS 131 HE1 LYS 131 19.471 7.053 -7.647 1029 1HZ LYS 131 HZ1 LYS 131 19.860 5.633 -5.993 1030 2HZ LYS 131 HZ2 LYS 131 20.281 4.505 -7.182 1031 3HZ LYS 131 HZ3 LYS 131 18.716 4.514 -6.542 1032 H GLN 132 HN GLN 132 13.306 10.819 -9.092 1033 HA GLN 132 HA GLN 132 12.211 9.793 -11.545 1034 1HB GLN 132 HB2 GLN 132 10.913 9.266 -8.934 1035 2HB GLN 132 HB1 GLN 132 9.858 9.835 -10.221 1036 1HG GLN 132 HG2 GLN 132 11.509 7.822 -11.315 1037 2HG GLN 132 HG1 GLN 132 10.894 7.225 -9.775 1038 1HE2 GLN 132 HE2 GLN 132 9.982 8.516 -12.905 1039 2HE2 GLN 132 HE2 GLN 132 8.385 7.855 -12.925 1040 H GLU 133 HN GLU 133 11.968 11.600 -12.671 1041 HA GLU 133 HA GLU 133 10.377 13.768 -11.595 1042 1HB GLU 133 HB2 GLU 133 13.067 13.984 -11.249 1043 2HB GLU 133 HB1 GLU 133 12.876 14.747 -12.822 1044 1HG GLU 133 HG2 GLU 133 10.963 16.061 -11.635 1045 2HG GLU 133 HG1 GLU 133 11.814 15.584 -10.167 Start of MODEL 10 1 1H MET 1 HT1 MET 1 -8.648 19.842 15.664 2 2H MET 1 HT2 MET 1 -9.211 18.237 15.886 3 3H MET 1 HT3 MET 1 -7.669 18.520 15.189 4 HA MET 1 HA MET 1 -8.163 19.652 17.798 5 1HB MET 1 HB2 MET 1 -8.335 16.771 17.149 6 2HB MET 1 HB1 MET 1 -7.280 17.177 18.495 7 1HG MET 1 HG2 MET 1 -10.056 18.270 18.372 8 2HG MET 1 HG1 MET 1 -9.762 16.628 18.939 9 1HE MET 1 HE1 MET 1 -10.254 19.835 21.623 10 2HE MET 1 HE2 MET 1 -11.109 18.314 21.366 11 3HE MET 1 HE3 MET 1 -10.921 19.456 20.035 12 H ALA 2 HN ALA 2 -6.427 20.649 16.039 13 HA ALA 2 HA ALA 2 -3.939 20.425 17.293 14 1HB ALA 2 HB1 ALA 2 -3.360 19.334 14.665 15 2HB ALA 2 HB2 ALA 2 -4.364 18.256 15.635 16 3HB ALA 2 HB3 ALA 2 -2.809 18.808 16.257 17 H ALA 3 HN ALA 3 -4.239 22.687 17.115 18 HA ALA 3 HA ALA 3 -4.294 23.908 14.492 19 1HB ALA 3 HB1 ALA 3 -4.920 24.716 17.166 20 2HB ALA 3 HB2 ALA 3 -5.324 25.502 15.640 21 3HB ALA 3 HB3 ALA 3 -3.801 25.872 16.444 22 H GLU 4 HN GLU 4 -2.140 22.604 14.176 23 HA GLU 4 HA GLU 4 0.186 23.993 15.224 24 1HB GLU 4 HB2 GLU 4 1.445 22.287 13.855 25 2HB GLU 4 HB1 GLU 4 0.427 21.630 15.129 26 1HG GLU 4 HG2 GLU 4 -1.079 21.810 12.708 27 2HG GLU 4 HG1 GLU 4 0.441 20.977 12.395 28 H LEU 5 HN LEU 5 1.696 25.107 13.987 29 HA LEU 5 HA LEU 5 0.603 26.298 11.561 30 1HB LEU 5 HB2 LEU 5 3.093 26.999 13.123 31 2HB LEU 5 HB1 LEU 5 2.452 27.904 11.767 32 HG LEU 5 HG LEU 5 0.598 27.494 14.038 33 1HD1 LEU 5 HD1 LEU 5 1.581 29.306 15.340 34 2HD1 LEU 5 HD1 LEU 5 2.944 29.380 14.223 35 3HD1 LEU 5 HD1 LEU 5 2.694 27.944 15.214 36 1HD2 LEU 5 HD2 LEU 5 -0.005 29.794 13.489 37 2HD2 LEU 5 HD2 LEU 5 -0.028 28.773 12.052 38 3HD2 LEU 5 HD2 LEU 5 1.322 29.872 12.330 39 H GLU 6 HN GLU 6 1.103 23.830 10.865 40 HA GLU 6 HA GLU 6 3.339 24.076 9.039 41 1HB GLU 6 HB2 GLU 6 3.208 21.908 11.133 42 2HB GLU 6 HB1 GLU 6 4.197 21.785 9.684 43 1HG GLU 6 HG2 GLU 6 5.235 23.998 10.431 44 2HG GLU 6 HG1 GLU 6 4.483 23.670 11.991 45 H TYR 7 HN TYR 7 1.627 24.098 7.499 46 HA TYR 7 HA TYR 7 -0.088 21.777 7.272 47 1HB TYR 7 HB2 TYR 7 -0.422 24.382 6.568 48 2HB TYR 7 HB1 TYR 7 0.036 23.683 5.019 49 HD1 TYR 7 HD1 TYR 7 -1.266 20.915 5.718 50 HD2 TYR 7 HD2 TYR 7 -2.663 24.932 5.830 51 HE1 TYR 7 HE1 TYR 7 -3.569 20.116 5.401 52 HE2 TYR 7 HE2 TYR 7 -4.971 24.144 5.514 53 HH TYR 7 HH TYR 7 -5.695 20.813 4.771 54 H GLU 8 HN GLU 8 1.470 20.113 6.935 55 HA GLU 8 HA GLU 8 2.113 19.721 4.161 56 1HB GLU 8 HB2 GLU 8 4.157 20.638 6.047 57 2HB GLU 8 HB1 GLU 8 4.603 19.164 5.198 58 1HG GLU 8 HG2 GLU 8 4.616 20.189 3.140 59 2HG GLU 8 HG1 GLU 8 3.524 21.474 3.655 60 H SER 9 HN SER 9 2.189 17.596 3.648 61 HA SER 9 HA SER 9 2.872 15.559 5.545 62 1HB SER 9 HB2 SER 9 0.572 16.067 6.284 63 2HB SER 9 HB1 SER 9 -0.013 15.753 4.650 64 HG SER 9 HG SER 9 1.150 13.919 6.467 65 H VAL 10 HN VAL 10 2.364 13.314 4.556 66 HA VAL 10 HA VAL 10 3.627 13.110 2.091 67 HB VAL 10 HB VAL 10 2.143 11.253 3.876 68 1HG1 VAL 10 HG1 VAL 10 2.442 9.389 2.238 69 2HG1 VAL 10 HG1 VAL 10 2.725 10.607 0.994 70 3HG1 VAL 10 HG1 VAL 10 1.171 10.538 1.826 71 1HG2 VAL 10 HG2 VAL 10 4.873 11.702 2.914 72 2HG2 VAL 10 HG2 VAL 10 4.414 10.003 3.045 73 3HG2 VAL 10 HG2 VAL 10 4.298 11.059 4.453 74 H LEU 11 HN LEU 11 0.181 12.327 2.745 75 HA LEU 11 HA LEU 11 -1.693 12.783 1.533 76 1HB LEU 11 HB2 LEU 11 -1.002 14.900 0.780 77 2HB LEU 11 HB1 LEU 11 0.252 14.233 -0.241 78 HG LEU 11 HG LEU 11 -2.369 13.289 -1.051 79 1HD1 LEU 11 HD1 LEU 11 -2.348 15.947 -0.141 80 2HD1 LEU 11 HD1 LEU 11 -3.594 15.138 -1.090 81 3HD1 LEU 11 HD1 LEU 11 -2.306 16.026 -1.903 82 1HD2 LEU 11 HD2 LEU 11 -0.079 13.380 -2.271 83 2HD2 LEU 11 HD2 LEU 11 -0.539 15.038 -2.650 84 3HD2 LEU 11 HD2 LEU 11 -1.554 13.699 -3.184 85 H CYS 12 HN CYS 12 -2.001 10.588 1.312 86 HA CYS 12 HA CYS 12 -1.508 9.617 -1.413 87 1HB CYS 12 HB2 CYS 12 -0.081 8.693 0.829 88 2HB CYS 12 HB1 CYS 12 -1.245 7.429 0.446 89 HG CYS 12 HG CYS 12 0.841 8.449 -1.627 90 H VAL 13 HN VAL 13 -3.247 8.599 -2.289 91 HA VAL 13 HA VAL 13 -5.234 7.361 -0.600 92 HB VAL 13 HB VAL 13 -7.058 8.752 -1.863 93 1HG1 VAL 13 HG1 VAL 13 -6.752 8.650 0.571 94 2HG1 VAL 13 HG1 VAL 13 -7.204 10.265 0.024 95 3HG1 VAL 13 HG1 VAL 13 -5.530 9.917 0.458 96 1HG2 VAL 13 HG2 VAL 13 -4.860 10.807 -1.705 97 2HG2 VAL 13 HG2 VAL 13 -6.485 11.003 -2.359 98 3HG2 VAL 13 HG2 VAL 13 -5.317 9.985 -3.198 99 H LYS 14 HN LYS 14 -6.913 6.212 -1.794 100 HA LYS 14 HA LYS 14 -6.821 6.010 -4.621 101 1HB LYS 14 HB2 LYS 14 -4.691 4.868 -4.033 102 2HB LYS 14 HB1 LYS 14 -5.613 3.693 -3.106 103 1HG LYS 14 HG2 LYS 14 -5.002 2.840 -5.305 104 2HG LYS 14 HG1 LYS 14 -6.753 2.964 -5.117 105 1HD LYS 14 HD2 LYS 14 -6.545 3.917 -7.177 106 2HD LYS 14 HD1 LYS 14 -6.314 5.355 -6.186 107 1HE LYS 14 HE2 LYS 14 -3.813 3.994 -6.536 108 2HE LYS 14 HE1 LYS 14 -4.567 4.288 -8.102 109 1HZ LYS 14 HZ1 LYS 14 -3.638 6.220 -6.099 110 2HZ LYS 14 HZ2 LYS 14 -4.931 6.649 -7.100 111 3HZ LYS 14 HZ3 LYS 14 -3.439 6.233 -7.779 112 HA PRO 15 HA PRO 15 -10.680 4.395 -2.759 113 1HB PRO 15 HB2 PRO 15 -12.362 5.594 -4.479 114 2HB PRO 15 HB1 PRO 15 -11.658 6.448 -3.101 115 1HG PRO 15 HG2 PRO 15 -10.827 6.486 -5.977 116 2HG PRO 15 HG1 PRO 15 -10.970 7.836 -4.836 117 1HD PRO 15 HD2 PRO 15 -8.596 6.651 -5.456 118 2HD PRO 15 HD1 PRO 15 -8.922 7.416 -3.889 119 H ASP 16 HN ASP 16 -9.284 4.165 -5.899 120 HA ASP 16 HA ASP 16 -11.105 1.942 -6.532 121 1HB ASP 16 HB2 ASP 16 -9.579 3.835 -8.313 122 2HB ASP 16 HB1 ASP 16 -10.233 2.314 -8.913 123 H VAL 17 HN VAL 17 -9.990 0.337 -5.432 124 HA VAL 17 HA VAL 17 -7.778 -0.810 -6.823 125 HB VAL 17 HB VAL 17 -6.567 0.901 -5.554 126 1HG1 VAL 17 HG1 VAL 17 -7.256 1.486 -3.532 127 2HG1 VAL 17 HG1 VAL 17 -6.691 -0.068 -2.920 128 3HG1 VAL 17 HG1 VAL 17 -8.357 0.110 -3.468 129 1HG2 VAL 17 HG2 VAL 17 -5.523 -1.310 -5.996 130 2HG2 VAL 17 HG2 VAL 17 -6.051 -1.831 -4.395 131 3HG2 VAL 17 HG2 VAL 17 -4.898 -0.509 -4.553 132 H SER 18 HN SER 18 -7.162 -2.908 -5.945 133 HA SER 18 HA SER 18 -9.252 -4.051 -4.206 134 1HB SER 18 HB2 SER 18 -9.096 -4.744 -6.719 135 2HB SER 18 HB1 SER 18 -7.714 -5.703 -6.188 136 HG SER 18 HG SER 18 -10.407 -6.077 -5.735 137 H VAL 19 HN VAL 19 -8.599 -4.982 -2.374 138 HA VAL 19 HA VAL 19 -5.732 -5.595 -2.062 139 HB VAL 19 HB VAL 19 -6.069 -3.778 -0.654 140 1HG1 VAL 19 HG1 VAL 19 -8.059 -3.596 0.867 141 2HG1 VAL 19 HG1 VAL 19 -8.757 -4.962 -0.006 142 3HG1 VAL 19 HG1 VAL 19 -8.401 -3.456 -0.857 143 1HG2 VAL 19 HG2 VAL 19 -6.711 -6.088 1.172 144 2HG2 VAL 19 HG2 VAL 19 -5.936 -4.566 1.611 145 3HG2 VAL 19 HG2 VAL 19 -5.101 -5.710 0.567 146 H TYR 20 HN TYR 20 -5.132 -7.461 -0.994 147 HA TYR 20 HA TYR 20 -7.317 -9.347 -0.410 148 1HB TYR 20 HB2 TYR 20 -5.897 -11.168 -1.154 149 2HB TYR 20 HB1 TYR 20 -6.065 -9.979 -2.439 150 HD1 TYR 20 HD1 TYR 20 -3.790 -11.592 -0.106 151 HD2 TYR 20 HD2 TYR 20 -4.130 -8.592 -3.098 152 HE1 TYR 20 HE1 TYR 20 -1.344 -11.519 -0.301 153 HE2 TYR 20 HE2 TYR 20 -1.683 -8.513 -3.301 154 HH TYR 20 HH TYR 20 0.398 -10.587 -1.327 155 H ARG 21 HN ARG 21 -6.720 -11.105 1.100 156 HA ARG 21 HA ARG 21 -4.748 -10.262 3.110 157 1HB ARG 21 HB2 ARG 21 -7.043 -9.591 3.819 158 2HB ARG 21 HB1 ARG 21 -7.522 -11.282 3.753 159 1HG ARG 21 HG2 ARG 21 -6.426 -11.814 5.665 160 2HG ARG 21 HG1 ARG 21 -5.162 -10.609 5.407 161 1HD ARG 21 HD2 ARG 21 -6.208 -9.391 6.957 162 2HD ARG 21 HD1 ARG 21 -7.428 -9.081 5.725 163 HE ARG 21 HE ARG 21 -8.836 -10.639 6.739 164 1HH1 ARG 21 HH1 ARG 21 -5.762 -10.457 8.398 165 2HH1 ARG 21 HH1 ARG 21 -6.341 -11.273 9.809 166 1HH2 ARG 21 HH2 ARG 21 -9.584 -11.717 8.595 167 2HH2 ARG 21 HH2 ARG 21 -8.504 -11.990 9.921 168 H ILE 22 HN ILE 22 -3.816 -11.936 4.326 169 HA ILE 22 HA ILE 22 -4.229 -14.617 3.178 170 HB ILE 22 HB ILE 22 -1.727 -14.122 4.664 171 1HG1 ILE 22 HG1 ILE 22 -1.781 -12.034 3.471 172 2HG1 ILE 22 HG1 ILE 22 -0.648 -13.099 2.646 173 1HG2 ILE 22 HG2 ILE 22 -2.783 -15.989 2.822 174 2HG2 ILE 22 HG2 ILE 22 -1.218 -16.017 3.634 175 3HG2 ILE 22 HG2 ILE 22 -1.383 -15.231 2.064 176 1HD1 ILE 22 HD1 ILE 22 -3.306 -13.345 1.553 177 2HD1 ILE 22 HD1 ILE 22 -1.784 -12.956 0.754 178 3HD1 ILE 22 HD1 ILE 22 -2.734 -11.677 1.514 179 HA PRO 23 HA PRO 23 -6.070 -15.136 7.351 180 1HB PRO 23 HB2 PRO 23 -6.344 -17.900 6.659 181 2HB PRO 23 HB1 PRO 23 -7.608 -16.676 6.768 182 1HG PRO 23 HG2 PRO 23 -6.195 -17.711 4.398 183 2HG PRO 23 HG1 PRO 23 -7.788 -16.946 4.517 184 1HD PRO 23 HD2 PRO 23 -5.665 -15.695 3.425 185 2HD PRO 23 HD1 PRO 23 -6.919 -14.819 4.325 186 HA PRO 24 HA PRO 24 -2.799 -18.623 8.265 187 1HB PRO 24 HB2 PRO 24 -0.841 -18.943 6.387 188 2HB PRO 24 HB1 PRO 24 -2.308 -19.927 6.444 189 1HG PRO 24 HG2 PRO 24 -1.690 -17.544 4.743 190 2HG PRO 24 HG1 PRO 24 -2.473 -19.069 4.289 191 1HD PRO 24 HD2 PRO 24 -3.889 -16.841 4.742 192 2HD PRO 24 HD1 PRO 24 -4.508 -18.439 5.190 193 H ARG 25 HN ARG 25 -0.741 -18.330 9.237 194 HA ARG 25 HA ARG 25 0.160 -15.548 9.188 195 1HB ARG 25 HB2 ARG 25 1.372 -16.175 11.278 196 2HB ARG 25 HB1 ARG 25 -0.372 -16.390 11.375 197 1HG ARG 25 HG2 ARG 25 -0.130 -18.774 11.049 198 2HG ARG 25 HG1 ARG 25 1.614 -18.591 10.845 199 1HD ARG 25 HD2 ARG 25 0.929 -19.358 13.114 200 2HD ARG 25 HD1 ARG 25 1.873 -17.871 13.107 201 HE ARG 25 HE ARG 25 -0.001 -16.689 13.801 202 1HH1 ARG 25 HH1 ARG 25 -0.819 -20.032 13.189 203 2HH1 ARG 25 HH1 ARG 25 -2.348 -19.930 13.994 204 1HH2 ARG 25 HH2 ARG 25 -2.009 -16.564 14.854 205 2HH2 ARG 25 HH2 ARG 25 -3.024 -17.965 14.935 206 H ALA 26 HN ALA 26 2.266 -14.939 8.791 207 HA ALA 26 HA ALA 26 4.272 -16.950 8.189 208 1HB ALA 26 HB1 ALA 26 4.545 -16.538 5.947 209 2HB ALA 26 HB2 ALA 26 3.817 -14.934 6.042 210 3HB ALA 26 HB3 ALA 26 2.796 -16.370 6.099 211 H SER 27 HN SER 27 5.345 -16.001 9.968 212 HA SER 27 HA SER 27 5.904 -13.295 10.308 213 1HB SER 27 HB2 SER 27 7.451 -13.947 11.946 214 2HB SER 27 HB1 SER 27 6.321 -15.300 11.901 215 HG SER 27 HG SER 27 7.790 -16.505 10.819 216 H ASN 28 HN ASN 28 7.884 -15.796 8.721 217 HA ASN 28 HA ASN 28 9.777 -13.811 7.797 218 1HB ASN 28 HB2 ASN 28 9.996 -16.474 8.405 219 2HB ASN 28 HB1 ASN 28 9.958 -16.509 6.646 220 1HD2 ASN 28 HD2 ASN 28 12.106 -17.205 6.588 221 2HD2 ASN 28 HD2 ASN 28 13.419 -16.123 6.889 222 H ARG 29 HN ARG 29 8.167 -16.406 5.968 223 HA ARG 29 HA ARG 29 7.001 -14.569 4.092 224 1HB ARG 29 HB2 ARG 29 9.571 -14.921 3.556 225 2HB ARG 29 HB1 ARG 29 8.988 -16.421 2.847 226 1HG ARG 29 HG2 ARG 29 7.885 -15.363 1.155 227 2HG ARG 29 HG1 ARG 29 7.624 -13.892 2.093 228 1HD ARG 29 HD2 ARG 29 9.212 -13.231 0.549 229 2HD ARG 29 HD1 ARG 29 10.196 -13.638 1.953 230 HE ARG 29 HE ARG 29 10.195 -15.944 0.588 231 1HH1 ARG 29 HH1 ARG 29 10.823 -12.659 -0.410 232 2HH1 ARG 29 HH1 ARG 29 11.887 -13.122 -1.695 233 1HH2 ARG 29 HH2 ARG 29 11.608 -16.552 -1.087 234 2HH2 ARG 29 HH2 ARG 29 12.336 -15.330 -2.076 235 H GLY 30 HN GLY 30 6.248 -15.969 2.059 236 1HA GLY 30 HA2 GLY 30 5.197 -18.518 3.133 237 2HA GLY 30 HA1 GLY 30 4.225 -17.422 2.163 238 H TYR 31 HN TYR 31 4.699 -17.183 -0.064 239 HA TYR 31 HA TYR 31 6.712 -18.725 -1.362 240 1HB TYR 31 HB2 TYR 31 3.962 -19.825 -1.146 241 2HB TYR 31 HB1 TYR 31 4.761 -19.957 -2.702 242 HD1 TYR 31 HD1 TYR 31 7.522 -20.557 -2.015 243 HD2 TYR 31 HD2 TYR 31 3.926 -21.915 -0.187 244 HE1 TYR 31 HE1 TYR 31 8.683 -22.585 -1.245 245 HE2 TYR 31 HE2 TYR 31 5.078 -23.944 0.587 246 HH TYR 31 HH TYR 31 7.927 -24.378 1.041 247 H ARG 32 HN ARG 32 6.873 -18.234 -3.564 248 HA ARG 32 HA ARG 32 5.962 -15.696 -4.324 249 1HB ARG 32 HB2 ARG 32 6.811 -16.449 -6.630 250 2HB ARG 32 HB1 ARG 32 7.966 -16.397 -5.309 251 1HG ARG 32 HG2 ARG 32 6.897 -18.983 -5.270 252 2HG ARG 32 HG1 ARG 32 7.184 -18.604 -6.968 253 1HD ARG 32 HD2 ARG 32 9.483 -17.967 -6.437 254 2HD ARG 32 HD1 ARG 32 9.199 -18.343 -4.739 255 HE ARG 32 HE ARG 32 8.584 -20.651 -6.054 256 1HH1 ARG 32 HH1 ARG 32 11.375 -18.561 -5.940 257 2HH1 ARG 32 HH1 ARG 32 12.505 -19.841 -6.228 258 1HH2 ARG 32 HH2 ARG 32 10.063 -22.340 -6.440 259 2HH2 ARG 32 HH2 ARG 32 11.759 -21.992 -6.513 260 H ALA 33 HN ALA 33 4.715 -15.159 -6.259 261 HA ALA 33 HA ALA 33 2.123 -16.200 -6.190 262 1HB ALA 33 HB1 ALA 33 3.040 -13.937 -7.081 263 2HB ALA 33 HB2 ALA 33 1.591 -14.640 -7.799 264 3HB ALA 33 HB3 ALA 33 3.149 -14.798 -8.610 265 H SER 34 HN SER 34 4.780 -17.758 -7.401 266 HA SER 34 HA SER 34 3.906 -18.773 -9.869 267 1HB SER 34 HB2 SER 34 6.229 -18.967 -8.768 268 2HB SER 34 HB1 SER 34 5.564 -20.351 -7.903 269 HG SER 34 HG SER 34 4.937 -21.044 -10.167 270 H ASP 35 HN ASP 35 3.209 -19.629 -6.563 271 HA ASP 35 HA ASP 35 1.042 -21.344 -7.477 272 1HB ASP 35 HB2 ASP 35 3.446 -22.276 -6.017 273 2HB ASP 35 HB1 ASP 35 1.901 -22.896 -5.444 274 H TRP 36 HN TRP 36 1.640 -18.717 -5.880 275 HA TRP 36 HA TRP 36 0.546 -19.226 -3.287 276 1HB TRP 36 HB2 TRP 36 1.994 -17.183 -4.300 277 2HB TRP 36 HB1 TRP 36 0.386 -16.478 -4.399 278 HD1 TRP 36 HD1 TRP 36 0.572 -14.737 -2.503 279 HE1 TRP 36 HE1 TRP 36 0.908 -14.862 0.043 280 HE3 TRP 36 HE3 TRP 36 1.793 -19.698 -2.066 281 HZ2 TRP 36 HZ2 TRP 36 1.597 -16.792 1.977 282 HZ3 TRP 36 HZ3 TRP 36 2.272 -20.592 0.171 283 HH2 TRP 36 HH2 TRP 36 2.175 -19.170 2.149 284 H LYS 37 HN LYS 37 -0.750 -17.731 -6.252 285 HA LYS 37 HA LYS 37 -2.878 -17.342 -6.952 286 1HB LYS 37 HB2 LYS 37 -3.957 -19.553 -5.280 287 2HB LYS 37 HB1 LYS 37 -4.263 -19.171 -6.965 288 1HG LYS 37 HG2 LYS 37 -1.553 -20.152 -6.230 289 2HG LYS 37 HG1 LYS 37 -2.890 -21.300 -6.240 290 1HD LYS 37 HD2 LYS 37 -3.090 -19.742 -8.597 291 2HD LYS 37 HD1 LYS 37 -1.410 -20.257 -8.444 292 1HE LYS 37 HE2 LYS 37 -3.700 -22.174 -8.116 293 2HE LYS 37 HE1 LYS 37 -3.014 -21.805 -9.698 294 1HZ LYS 37 HZ1 LYS 37 -1.034 -22.812 -9.174 295 2HZ LYS 37 HZ2 LYS 37 -2.123 -23.805 -8.345 296 3HZ LYS 37 HZ3 LYS 37 -1.240 -22.634 -7.504 297 H LEU 38 HN LEU 38 -4.918 -16.433 -6.375 298 HA LEU 38 HA LEU 38 -5.850 -16.253 -3.712 299 1HB LEU 38 HB2 LEU 38 -5.398 -13.793 -3.414 300 2HB LEU 38 HB1 LEU 38 -4.013 -14.853 -3.230 301 HG LEU 38 HG LEU 38 -3.956 -14.150 -5.918 302 1HD1 LEU 38 HD1 LEU 38 -5.583 -12.264 -4.729 303 2HD1 LEU 38 HD1 LEU 38 -4.700 -12.076 -6.244 304 3HD1 LEU 38 HD1 LEU 38 -3.995 -11.498 -4.735 305 1HD2 LEU 38 HD2 LEU 38 -2.115 -14.404 -4.197 306 2HD2 LEU 38 HD2 LEU 38 -2.447 -12.732 -3.744 307 3HD2 LEU 38 HD2 LEU 38 -1.916 -13.113 -5.383 308 H ASP 39 HN ASP 39 -7.322 -16.930 -5.709 309 HA ASP 39 HA ASP 39 -8.557 -14.686 -7.029 310 1HB ASP 39 HB2 ASP 39 -9.004 -17.653 -7.032 311 2HB ASP 39 HB1 ASP 39 -10.230 -16.578 -7.698 312 H GLN 40 HN GLN 40 -8.948 -16.354 -4.056 313 HA GLN 40 HA GLN 40 -11.714 -15.509 -3.759 314 1HB GLN 40 HB2 GLN 40 -10.514 -17.740 -2.871 315 2HB GLN 40 HB1 GLN 40 -10.291 -16.722 -1.459 316 1HG GLN 40 HG2 GLN 40 -12.395 -16.970 -0.841 317 2HG GLN 40 HG1 GLN 40 -12.983 -16.513 -2.438 318 1HE2 GLN 40 HE2 GLN 40 -11.848 -19.187 -0.470 319 2HE2 GLN 40 HE2 GLN 40 -12.625 -20.433 -1.382 320 HA PRO 41 HA PRO 41 -9.833 -12.912 -0.179 321 1HB PRO 41 HB2 PRO 41 -7.131 -12.780 0.071 322 2HB PRO 41 HB1 PRO 41 -8.117 -13.989 0.904 323 1HG PRO 41 HG2 PRO 41 -6.526 -14.252 -1.619 324 2HG PRO 41 HG1 PRO 41 -6.656 -15.379 -0.256 325 1HD PRO 41 HD2 PRO 41 -8.030 -15.728 -2.552 326 2HD PRO 41 HD1 PRO 41 -8.679 -16.212 -0.975 327 H ASP 42 HN ASP 42 -10.517 -11.182 -1.422 328 HA ASP 42 HA ASP 42 -8.574 -9.321 -2.278 329 1HB ASP 42 HB2 ASP 42 -9.496 -11.238 -4.253 330 2HB ASP 42 HB1 ASP 42 -9.881 -9.588 -4.731 331 H TRP 43 HN TRP 43 -10.080 -8.319 -0.680 332 HA TRP 43 HA TRP 43 -12.770 -7.791 -1.470 333 1HB TRP 43 HB2 TRP 43 -12.583 -6.078 0.505 334 2HB TRP 43 HB1 TRP 43 -12.610 -7.801 0.832 335 HD1 TRP 43 HD1 TRP 43 -9.938 -8.872 1.115 336 HE1 TRP 43 HE1 TRP 43 -8.038 -7.842 2.514 337 HE3 TRP 43 HE3 TRP 43 -11.660 -4.065 1.423 338 HZ2 TRP 43 HZ2 TRP 43 -7.361 -5.333 3.609 339 HZ3 TRP 43 HZ3 TRP 43 -10.329 -2.414 2.672 340 HH2 TRP 43 HH2 TRP 43 -8.224 -3.037 3.742 341 H THR 44 HN THR 44 -13.646 -5.572 -1.673 342 HA THR 44 HA THR 44 -11.801 -3.902 -3.253 343 HB THR 44 HB THR 44 -14.373 -3.106 -3.928 344 HG1 THR 44 HG1 THR 44 -14.289 -5.938 -3.856 345 1HG2 THR 44 HG2 THR 44 -14.001 -4.267 -6.053 346 2HG2 THR 44 HG2 THR 44 -12.608 -5.086 -5.348 347 3HG2 THR 44 HG2 THR 44 -12.597 -3.333 -5.540 348 H GLY 45 HN GLY 45 -11.421 -1.873 -2.607 349 1HA GLY 45 HA2 GLY 45 -13.305 -0.217 -1.306 350 2HA GLY 45 HA1 GLY 45 -12.259 -0.945 -0.097 351 H ARG 46 HN ARG 46 -11.919 1.509 0.149 352 HA ARG 46 HA ARG 46 -9.872 2.457 -1.728 353 1HB ARG 46 HB2 ARG 46 -10.270 4.675 -0.923 354 2HB ARG 46 HB1 ARG 46 -11.820 3.945 -1.278 355 1HG ARG 46 HG2 ARG 46 -12.531 4.388 0.757 356 2HG ARG 46 HG1 ARG 46 -11.200 3.465 1.453 357 1HD ARG 46 HD2 ARG 46 -10.463 5.395 2.290 358 2HD ARG 46 HD1 ARG 46 -10.007 5.821 0.642 359 HE ARG 46 HE ARG 46 -12.742 6.438 1.315 360 1HH1 ARG 46 HH1 ARG 46 -9.447 7.593 1.300 361 2HH1 ARG 46 HH1 ARG 46 -9.900 9.263 1.332 362 1HH2 ARG 46 HH2 ARG 46 -13.339 8.639 1.353 363 2HH2 ARG 46 HH2 ARG 46 -12.107 9.857 1.366 364 H LEU 47 HN LEU 47 -7.818 2.834 -1.131 365 HA LEU 47 HA LEU 47 -7.165 2.489 1.716 366 1HB LEU 47 HB2 LEU 47 -5.069 1.672 -0.175 367 2HB LEU 47 HB1 LEU 47 -5.573 0.938 1.334 368 HG LEU 47 HG LEU 47 -6.968 0.613 -1.316 369 1HD1 LEU 47 HD1 LEU 47 -6.119 -1.863 -0.451 370 2HD1 LEU 47 HD1 LEU 47 -4.758 -0.807 -0.078 371 3HD1 LEU 47 HD1 LEU 47 -5.379 -0.898 -1.725 372 1HD2 LEU 47 HD2 LEU 47 -8.662 -0.411 -0.291 373 2HD2 LEU 47 HD2 LEU 47 -8.090 0.394 1.172 374 3HD2 LEU 47 HD2 LEU 47 -7.592 -1.262 0.823 375 H ARG 48 HN ARG 48 -5.511 3.770 2.497 376 HA ARG 48 HA ARG 48 -4.024 5.520 0.776 377 1HB ARG 48 HB2 ARG 48 -5.081 7.575 1.985 378 2HB ARG 48 HB1 ARG 48 -5.901 6.870 0.604 379 1HG ARG 48 HG2 ARG 48 -7.656 7.079 2.009 380 2HG ARG 48 HG1 ARG 48 -7.113 5.468 2.477 381 1HD ARG 48 HD2 ARG 48 -6.349 6.164 4.490 382 2HD ARG 48 HD1 ARG 48 -5.880 7.754 3.884 383 HE ARG 48 HE ARG 48 -8.305 7.107 5.171 384 1HH1 ARG 48 HH1 ARG 48 -7.023 9.007 2.546 385 2HH1 ARG 48 HH1 ARG 48 -8.322 10.151 2.574 386 1HH2 ARG 48 HH2 ARG 48 -10.016 8.627 5.218 387 2HH2 ARG 48 HH2 ARG 48 -10.007 9.947 4.097 388 H ILE 49 HN ILE 49 -2.809 7.199 2.141 389 HA ILE 49 HA ILE 49 -2.459 6.315 4.904 390 HB ILE 49 HB ILE 49 0.016 6.356 4.680 391 1HG1 ILE 49 HG1 ILE 49 -0.121 5.882 1.772 392 2HG1 ILE 49 HG1 ILE 49 -0.418 7.540 2.283 393 1HG2 ILE 49 HG2 ILE 49 -0.541 4.227 2.810 394 2HG2 ILE 49 HG2 ILE 49 -1.758 4.311 4.080 395 3HG2 ILE 49 HG2 ILE 49 -0.056 4.144 4.504 396 1HD1 ILE 49 HD1 ILE 49 1.709 7.763 3.201 397 2HD1 ILE 49 HD1 ILE 49 1.971 6.878 1.699 398 3HD1 ILE 49 HD1 ILE 49 1.973 6.021 3.240 399 H THR 50 HN THR 50 -1.426 7.831 6.239 400 HA THR 50 HA THR 50 -0.826 10.447 5.162 401 HB THR 50 HB THR 50 -2.412 11.378 7.069 402 HG1 THR 50 HG1 THR 50 -3.222 9.471 7.831 403 1HG2 THR 50 HG2 THR 50 -3.850 10.451 4.628 404 2HG2 THR 50 HG2 THR 50 -2.548 11.633 4.490 405 3HG2 THR 50 HG2 THR 50 -3.958 11.988 5.486 406 H SER 51 HN SER 51 0.155 11.851 6.725 407 HA SER 51 HA SER 51 1.040 10.621 9.217 408 1HB SER 51 HB2 SER 51 2.990 11.721 7.177 409 2HB SER 51 HB1 SER 51 3.393 11.006 8.735 410 HG SER 51 HG SER 51 3.047 9.785 6.401 411 H LYS 52 HN LYS 52 1.007 12.071 10.826 412 HA LYS 52 HA LYS 52 0.167 14.706 10.472 413 1HB LYS 52 HB2 LYS 52 0.774 13.013 12.657 414 2HB LYS 52 HB1 LYS 52 1.695 14.491 12.896 415 1HG LYS 52 HG2 LYS 52 -0.157 15.319 13.807 416 2HG LYS 52 HG1 LYS 52 -0.782 15.427 12.161 417 1HD LYS 52 HD2 LYS 52 -1.393 12.881 12.652 418 2HD LYS 52 HD1 LYS 52 -1.403 13.478 14.312 419 1HE LYS 52 HE2 LYS 52 -3.461 14.242 13.968 420 2HE LYS 52 HE1 LYS 52 -2.795 15.391 12.809 421 1HZ LYS 52 HZ1 LYS 52 -3.076 12.846 11.605 422 2HZ LYS 52 HZ2 LYS 52 -3.789 14.315 11.166 423 3HZ LYS 52 HZ3 LYS 52 -4.547 13.312 12.298 424 H GLY 53 HN GLY 53 3.444 13.566 11.348 425 1HA GLY 53 HA2 GLY 53 4.764 15.303 9.575 426 2HA GLY 53 HA1 GLY 53 4.683 16.080 11.149 427 H LYS 54 HN LYS 54 5.152 14.224 12.938 428 HA LYS 54 HA LYS 54 7.870 13.352 12.337 429 1HB LYS 54 HB2 LYS 54 8.142 13.145 14.765 430 2HB LYS 54 HB1 LYS 54 7.586 14.747 14.312 431 1HG LYS 54 HG2 LYS 54 5.655 12.631 15.196 432 2HG LYS 54 HG1 LYS 54 6.535 13.620 16.360 433 1HD LYS 54 HD2 LYS 54 5.313 15.198 14.241 434 2HD LYS 54 HD1 LYS 54 4.133 14.265 15.159 435 1HE LYS 54 HE2 LYS 54 4.396 15.529 16.992 436 2HE LYS 54 HE1 LYS 54 6.146 15.625 16.794 437 1HZ LYS 54 HZ1 LYS 54 5.111 17.103 14.726 438 2HZ LYS 54 HZ2 LYS 54 5.820 17.708 16.136 439 3HZ LYS 54 HZ3 LYS 54 4.143 17.510 16.053 440 H ILE 55 HN ILE 55 4.773 12.107 12.534 441 HA ILE 55 HA ILE 55 5.785 9.351 12.708 442 HB ILE 55 HB ILE 55 4.598 10.185 14.817 443 1HG1 ILE 55 HG1 ILE 55 3.146 8.069 14.945 444 2HG1 ILE 55 HG1 ILE 55 3.711 7.728 13.318 445 1HG2 ILE 55 HG2 ILE 55 2.852 11.446 13.671 446 2HG2 ILE 55 HG2 ILE 55 2.180 10.253 14.783 447 3HG2 ILE 55 HG2 ILE 55 2.178 9.940 13.048 448 1HD1 ILE 55 HD1 ILE 55 5.086 6.525 14.800 449 2HD1 ILE 55 HD1 ILE 55 5.338 7.936 15.825 450 3HD1 ILE 55 HD1 ILE 55 6.049 7.880 14.211 451 H ALA 56 HN ALA 56 4.108 7.783 11.745 452 HA ALA 56 HA ALA 56 2.441 9.026 9.688 453 1HB ALA 56 HB1 ALA 56 4.380 8.672 8.413 454 2HB ALA 56 HB2 ALA 56 3.352 7.286 8.046 455 3HB ALA 56 HB3 ALA 56 4.699 7.112 9.171 456 H TYR 57 HN TYR 57 0.759 7.678 8.900 457 HA TYR 57 HA TYR 57 0.455 5.022 10.004 458 1HB TYR 57 HB2 TYR 57 -1.581 5.441 11.215 459 2HB TYR 57 HB1 TYR 57 -0.337 6.530 11.817 460 HD1 TYR 57 HD1 TYR 57 -3.672 6.359 11.032 461 HD2 TYR 57 HD2 TYR 57 -0.293 8.854 10.360 462 HE1 TYR 57 HE1 TYR 57 -5.168 8.271 10.645 463 HE2 TYR 57 HE2 TYR 57 -1.780 10.775 9.971 464 HH TYR 57 HH TYR 57 -4.365 10.962 9.143 465 H ILE 58 HN ILE 58 -1.096 3.769 8.984 466 HA ILE 58 HA ILE 58 -2.077 4.877 6.449 467 HB ILE 58 HB ILE 58 -0.667 2.954 6.161 468 1HG1 ILE 58 HG1 ILE 58 -2.913 3.249 4.870 469 2HG1 ILE 58 HG1 ILE 58 -1.996 1.763 4.677 470 1HG2 ILE 58 HG2 ILE 58 -0.527 1.482 7.821 471 2HG2 ILE 58 HG2 ILE 58 -2.007 0.762 7.191 472 3HG2 ILE 58 HG2 ILE 58 -2.091 1.965 8.478 473 1HD1 ILE 58 HD1 ILE 58 -3.667 0.537 5.472 474 2HD1 ILE 58 HD1 ILE 58 -4.664 1.980 5.288 475 3HD1 ILE 58 HD1 ILE 58 -3.921 1.613 6.845 476 H LYS 59 HN LYS 59 -4.185 4.922 5.940 477 HA LYS 59 HA LYS 59 -6.090 3.837 7.908 478 1HB LYS 59 HB2 LYS 59 -6.028 6.277 8.005 479 2HB LYS 59 HB1 LYS 59 -6.325 6.372 6.277 480 1HG LYS 59 HG2 LYS 59 -8.525 5.467 6.546 481 2HG LYS 59 HG1 LYS 59 -8.236 5.155 8.256 482 1HD LYS 59 HD2 LYS 59 -7.833 7.934 7.338 483 2HD LYS 59 HD1 LYS 59 -9.497 7.344 7.347 484 1HE LYS 59 HE2 LYS 59 -8.739 6.473 9.749 485 2HE LYS 59 HE1 LYS 59 -7.637 7.842 9.602 486 1HZ LYS 59 HZ1 LYS 59 -9.908 8.239 10.658 487 2HZ LYS 59 HZ2 LYS 59 -10.529 8.149 9.088 488 3HZ LYS 59 HZ3 LYS 59 -9.392 9.338 9.479 489 H LEU 60 HN LEU 60 -7.745 2.613 7.156 490 HA LEU 60 HA LEU 60 -8.096 2.447 4.239 491 1HB LEU 60 HB2 LEU 60 -8.409 0.039 4.404 492 2HB LEU 60 HB1 LEU 60 -6.822 0.504 4.984 493 HG LEU 60 HG LEU 60 -8.587 0.454 7.214 494 1HD1 LEU 60 HD1 LEU 60 -8.909 -1.829 5.331 495 2HD1 LEU 60 HD1 LEU 60 -10.117 -0.993 6.306 496 3HD1 LEU 60 HD1 LEU 60 -8.978 -2.099 7.072 497 1HD2 LEU 60 HD2 LEU 60 -6.031 -0.618 6.384 498 2HD2 LEU 60 HD2 LEU 60 -6.930 -1.764 7.378 499 3HD2 LEU 60 HD2 LEU 60 -6.588 -0.145 7.989 500 H GLU 61 HN GLU 61 -10.149 1.917 3.502 501 HA GLU 61 HA GLU 61 -12.365 1.305 5.097 502 1HB GLU 61 HB2 GLU 61 -13.548 3.406 5.204 503 2HB GLU 61 HB1 GLU 61 -11.980 3.601 5.973 504 1HG GLU 61 HG2 GLU 61 -11.780 4.272 3.202 505 2HG GLU 61 HG1 GLU 61 -13.119 5.153 3.932 506 H ASP 62 HN ASP 62 -14.470 2.281 3.751 507 HA ASP 62 HA ASP 62 -14.019 1.247 1.062 508 1HB ASP 62 HB2 ASP 62 -15.785 0.184 2.364 509 2HB ASP 62 HB1 ASP 62 -16.587 1.736 2.579 510 H LYS 63 HN LYS 63 -14.039 2.473 -0.674 511 HA LYS 63 HA LYS 63 -14.127 5.279 -0.558 512 1HB LYS 63 HB2 LYS 63 -13.945 5.236 -2.964 513 2HB LYS 63 HB1 LYS 63 -12.902 4.002 -2.285 514 1HG LYS 63 HG2 LYS 63 -15.648 3.268 -3.187 515 2HG LYS 63 HG1 LYS 63 -14.357 3.485 -4.369 516 1HD LYS 63 HD2 LYS 63 -12.990 1.868 -3.008 517 2HD LYS 63 HD1 LYS 63 -14.451 1.533 -2.080 518 1HE LYS 63 HE2 LYS 63 -15.393 0.340 -3.737 519 2HE LYS 63 HE1 LYS 63 -14.748 1.388 -5.000 520 1HZ LYS 63 HZ1 LYS 63 -12.787 -0.217 -3.592 521 2HZ LYS 63 HZ2 LYS 63 -12.933 0.114 -5.244 522 3HZ LYS 63 HZ3 LYS 63 -13.887 -1.091 -4.536 523 H VAL 64 HN VAL 64 -16.718 3.339 -0.140 524 HA VAL 64 HA VAL 64 -18.577 4.723 -1.859 525 HB VAL 64 HB VAL 64 -19.117 2.722 0.337 526 1HG1 VAL 64 HG1 VAL 64 -21.303 2.499 -0.532 527 2HG1 VAL 64 HG1 VAL 64 -20.919 3.466 -1.955 528 3HG1 VAL 64 HG1 VAL 64 -21.021 4.231 -0.369 529 1HG2 VAL 64 HG2 VAL 64 -19.105 2.195 -2.622 530 2HG2 VAL 64 HG2 VAL 64 -19.133 1.031 -1.296 531 3HG2 VAL 64 HG2 VAL 64 -17.674 1.969 -1.615 532 H SER 65 HN SER 65 -18.287 4.336 1.695 533 HA SER 65 HA SER 65 -18.700 7.066 2.239 534 1HB SER 65 HB2 SER 65 -20.995 7.010 3.130 535 2HB SER 65 HB1 SER 65 -20.976 6.621 1.411 536 HG SER 65 HG SER 65 -20.772 4.321 2.454 537 H GLY 66 HN GLY 66 -16.802 5.706 3.329 538 1HA GLY 66 HA2 GLY 66 -15.855 5.138 5.342 539 2HA GLY 66 HA1 GLY 66 -17.286 5.816 6.100 540 H GLU 67 HN GLU 67 -15.693 2.946 5.049 541 HA GLU 67 HA GLU 67 -17.887 1.161 5.582 542 1HB GLU 67 HB2 GLU 67 -15.633 0.923 4.099 543 2HB GLU 67 HB1 GLU 67 -15.123 0.107 5.562 544 1HG GLU 67 HG2 GLU 67 -17.452 -1.113 5.246 545 2HG GLU 67 HG1 GLU 67 -17.163 -0.678 3.564 546 H LEU 68 HN LEU 68 -16.603 -0.874 6.948 547 HA LEU 68 HA LEU 68 -17.162 -0.519 9.573 548 1HB LEU 68 HB2 LEU 68 -16.546 -2.693 8.666 549 2HB LEU 68 HB1 LEU 68 -14.885 -2.163 8.451 550 HG LEU 68 HG LEU 68 -15.552 -1.800 11.189 551 1HD1 LEU 68 HD1 LEU 68 -15.750 -4.596 11.162 552 2HD1 LEU 68 HD1 LEU 68 -16.961 -4.010 10.023 553 3HD1 LEU 68 HD1 LEU 68 -16.965 -3.432 11.687 554 1HD2 LEU 68 HD2 LEU 68 -13.413 -2.598 9.703 555 2HD2 LEU 68 HD2 LEU 68 -13.897 -4.110 10.470 556 3HD2 LEU 68 HD2 LEU 68 -13.517 -2.702 11.460 557 H PHE 69 HN PHE 69 -14.303 0.658 7.938 558 HA PHE 69 HA PHE 69 -12.814 2.273 8.574 559 1HB PHE 69 HB2 PHE 69 -14.870 2.608 10.458 560 2HB PHE 69 HB1 PHE 69 -13.383 2.524 11.397 561 HD1 PHE 69 HD1 PHE 69 -11.395 3.871 9.935 562 HD2 PHE 69 HD2 PHE 69 -15.549 4.768 10.135 563 HE1 PHE 69 HE1 PHE 69 -10.908 6.222 9.392 564 HE2 PHE 69 HE2 PHE 69 -15.071 7.119 9.590 565 HZ PHE 69 HZ PHE 69 -12.748 7.849 9.219 566 H ALA 70 HN ALA 70 -10.732 1.862 8.919 567 HA ALA 70 HA ALA 70 -9.746 0.506 11.223 568 1HB ALA 70 HB1 ALA 70 -10.044 -1.595 10.515 569 2HB ALA 70 HB2 ALA 70 -8.709 -1.275 9.407 570 3HB ALA 70 HB3 ALA 70 -10.375 -1.086 8.859 571 H GLN 71 HN GLN 71 -7.511 0.694 11.444 572 HA GLN 71 HA GLN 71 -5.939 1.705 9.212 573 1HB GLN 71 HB2 GLN 71 -6.062 3.255 11.804 574 2HB GLN 71 HB1 GLN 71 -5.165 3.680 10.357 575 1HG GLN 71 HG2 GLN 71 -6.886 5.004 9.905 576 2HG GLN 71 HG1 GLN 71 -7.718 3.533 9.413 577 1HE2 GLN 71 HE2 GLN 71 -9.603 3.165 10.336 578 2HE2 GLN 71 HE2 GLN 71 -10.146 3.820 11.839 579 H ALA 72 HN ALA 72 -3.613 2.202 10.106 580 HA ALA 72 HA ALA 72 -2.830 0.453 12.288 581 1HB ALA 72 HB1 ALA 72 -2.836 -0.660 9.811 582 2HB ALA 72 HB2 ALA 72 -1.768 -1.152 11.125 583 3HB ALA 72 HB3 ALA 72 -1.193 -0.026 9.897 584 HA PRO 73 HA PRO 73 -0.354 4.287 12.312 585 1HB PRO 73 HB2 PRO 73 0.284 4.124 14.954 586 2HB PRO 73 HB1 PRO 73 -1.231 4.815 14.363 587 1HG PRO 73 HG2 PRO 73 -0.693 2.080 15.453 588 2HG PRO 73 HG1 PRO 73 -2.064 3.160 15.766 589 1HD PRO 73 HD2 PRO 73 -2.225 1.083 14.048 590 2HD PRO 73 HD1 PRO 73 -3.122 2.595 13.792 591 H VAL 74 HN VAL 74 1.824 4.568 12.150 592 HA VAL 74 HA VAL 74 3.545 2.281 12.846 593 HB VAL 74 HB VAL 74 4.784 2.481 10.820 594 1HG1 VAL 74 HG1 VAL 74 2.524 2.635 9.208 595 2HG1 VAL 74 HG1 VAL 74 1.919 2.083 10.769 596 3HG1 VAL 74 HG1 VAL 74 3.194 1.182 9.951 597 1HG2 VAL 74 HG2 VAL 74 3.116 4.593 9.599 598 2HG2 VAL 74 HG2 VAL 74 4.836 4.256 9.415 599 3HG2 VAL 74 HG2 VAL 74 4.256 5.121 10.835 600 H GLU 75 HN GLU 75 5.857 2.845 13.085 601 HA GLU 75 HA GLU 75 6.164 5.138 14.748 602 1HB GLU 75 HB2 GLU 75 7.413 2.982 15.039 603 2HB GLU 75 HB1 GLU 75 8.357 3.399 13.618 604 1HG GLU 75 HG2 GLU 75 9.647 3.978 15.506 605 2HG GLU 75 HG1 GLU 75 9.054 5.489 14.819 606 H GLN 76 HN GLN 76 6.294 4.783 11.383 607 HA GLN 76 HA GLN 76 6.950 6.168 9.701 608 1HB GLN 76 HB2 GLN 76 5.795 7.851 11.204 609 2HB GLN 76 HB1 GLN 76 7.380 8.275 11.822 610 1HG GLN 76 HG2 GLN 76 7.602 8.365 9.039 611 2HG GLN 76 HG1 GLN 76 6.063 9.133 9.426 612 1HE2 GLN 76 HE2 GLN 76 9.403 9.061 10.618 613 2HE2 GLN 76 HE2 GLN 76 9.524 10.762 10.896 614 H TYR 77 HN TYR 77 8.815 6.254 8.625 615 HA TYR 77 HA TYR 77 11.084 6.908 8.344 616 1HB TYR 77 HB2 TYR 77 11.111 7.706 10.771 617 2HB TYR 77 HB1 TYR 77 11.612 6.072 11.188 618 HD1 TYR 77 HD1 TYR 77 13.658 5.218 9.598 619 HD2 TYR 77 HD2 TYR 77 12.780 9.256 10.603 620 HE1 TYR 77 HE1 TYR 77 15.999 5.829 9.165 621 HE2 TYR 77 HE2 TYR 77 15.117 9.881 10.174 622 HH TYR 77 HH TYR 77 17.393 7.633 8.767 623 HA PRO 78 HA PRO 78 12.406 2.375 9.314 624 1HB PRO 78 HB2 PRO 78 10.648 0.705 10.457 625 2HB PRO 78 HB1 PRO 78 11.659 1.787 11.428 626 1HG PRO 78 HG2 PRO 78 8.819 2.152 10.539 627 2HG PRO 78 HG1 PRO 78 9.511 2.374 12.151 628 1HD PRO 78 HD2 PRO 78 9.061 4.420 10.494 629 2HD PRO 78 HD1 PRO 78 10.430 4.412 11.623 630 H GLY 79 HN GLY 79 11.693 3.027 6.970 631 1HA GLY 79 HA2 GLY 79 9.384 1.701 5.928 632 2HA GLY 79 HA1 GLY 79 10.689 2.413 4.981 633 H ILE 80 HN ILE 80 9.153 -0.383 5.471 634 HA ILE 80 HA ILE 80 11.055 -1.947 4.170 635 HB ILE 80 HB ILE 80 11.988 -1.689 6.626 636 1HG1 ILE 80 HG1 ILE 80 13.227 -3.693 6.361 637 2HG1 ILE 80 HG1 ILE 80 11.928 -4.482 5.481 638 1HG2 ILE 80 HG2 ILE 80 10.625 -4.218 7.245 639 2HG2 ILE 80 HG2 ILE 80 9.598 -2.786 7.296 640 3HG2 ILE 80 HG2 ILE 80 11.046 -2.865 8.296 641 1HD1 ILE 80 HD1 ILE 80 12.307 -2.861 3.624 642 2HD1 ILE 80 HD1 ILE 80 13.657 -3.949 3.939 643 3HD1 ILE 80 HD1 ILE 80 13.721 -2.278 4.501 644 H ALA 81 HN ALA 81 10.487 -4.434 4.690 645 HA ALA 81 HA ALA 81 8.971 -6.082 4.464 646 1HB ALA 81 HB1 ALA 81 7.724 -4.201 6.343 647 2HB ALA 81 HB2 ALA 81 7.995 -5.939 6.477 648 3HB ALA 81 HB3 ALA 81 6.628 -5.329 5.558 649 H VAL 82 HN VAL 82 9.250 -5.319 2.208 650 HA VAL 82 HA VAL 82 6.638 -4.984 0.973 651 HB VAL 82 HB VAL 82 8.925 -3.247 0.043 652 1HG1 VAL 82 HG1 VAL 82 7.360 -3.714 -1.680 653 2HG1 VAL 82 HG1 VAL 82 7.051 -2.065 -1.133 654 3HG1 VAL 82 HG1 VAL 82 5.991 -3.379 -0.619 655 1HG2 VAL 82 HG2 VAL 82 8.462 -1.617 1.484 656 2HG2 VAL 82 HG2 VAL 82 7.503 -2.782 2.390 657 3HG2 VAL 82 HG2 VAL 82 6.729 -1.754 1.190 658 H GLU 83 HN GLU 83 6.499 -6.283 -0.789 659 HA GLU 83 HA GLU 83 8.896 -6.969 -2.267 660 1HB GLU 83 HB2 GLU 83 7.573 -8.817 -0.401 661 2HB GLU 83 HB1 GLU 83 7.847 -9.477 -2.008 662 1HG GLU 83 HG2 GLU 83 10.257 -8.424 -1.578 663 2HG GLU 83 HG1 GLU 83 9.780 -8.728 0.093 664 H THR 84 HN THR 84 8.382 -8.325 -4.179 665 HA THR 84 HA THR 84 5.611 -7.976 -5.079 666 HB THR 84 HB THR 84 6.268 -7.069 -7.174 667 HG1 THR 84 HG1 THR 84 8.679 -8.191 -6.570 668 1HG2 THR 84 HG2 THR 84 6.552 -5.577 -5.027 669 2HG2 THR 84 HG2 THR 84 6.991 -4.993 -6.633 670 3HG2 THR 84 HG2 THR 84 8.239 -5.588 -5.539 671 H VAL 85 HN VAL 85 5.863 -8.950 -7.592 672 HA VAL 85 HA VAL 85 5.921 -11.748 -7.154 673 HB VAL 85 HB VAL 85 5.607 -11.834 -9.677 674 1HG1 VAL 85 HG1 VAL 85 3.374 -11.562 -9.404 675 2HG1 VAL 85 HG1 VAL 85 3.551 -10.011 -8.588 676 3HG1 VAL 85 HG1 VAL 85 3.849 -11.510 -7.707 677 1HG2 VAL 85 HG2 VAL 85 6.709 -9.479 -9.889 678 2HG2 VAL 85 HG2 VAL 85 5.088 -8.890 -9.519 679 3HG2 VAL 85 HG2 VAL 85 5.355 -9.900 -10.935 680 H THR 86 HN THR 86 7.944 -12.490 -6.612 681 HA THR 86 HA THR 86 10.350 -11.715 -7.831 682 HB THR 86 HB THR 86 9.945 -14.450 -6.659 683 HG1 THR 86 HG1 THR 86 9.007 -13.304 -5.099 684 1HG2 THR 86 HG2 THR 86 12.138 -14.283 -5.892 685 2HG2 THR 86 HG2 THR 86 12.189 -12.538 -6.143 686 3HG2 THR 86 HG2 THR 86 12.193 -13.629 -7.529 687 H ASP 87 HN ASP 87 7.822 -13.413 -9.204 688 HA ASP 87 HA ASP 87 9.515 -14.261 -11.410 689 1HB ASP 87 HB2 ASP 87 8.470 -16.502 -11.493 690 2HB ASP 87 HB1 ASP 87 9.424 -16.256 -10.033 691 H SER 88 HN SER 88 7.231 -12.323 -10.719 692 HA SER 88 HA SER 88 5.543 -11.334 -11.884 693 1HB SER 88 HB2 SER 88 7.037 -12.717 -13.857 694 2HB SER 88 HB1 SER 88 5.332 -12.970 -14.225 695 HG SER 88 HG SER 88 6.656 -10.910 -14.892 696 H SER 89 HN SER 89 3.315 -11.547 -12.271 697 HA SER 89 HA SER 89 1.922 -13.944 -12.573 698 1HB SER 89 HB2 SER 89 2.536 -14.671 -10.420 699 2HB SER 89 HB1 SER 89 2.314 -13.070 -9.720 700 HG SER 89 HG SER 89 0.394 -13.742 -9.238 701 H ARG 90 HN ARG 90 0.808 -11.700 -10.107 702 HA ARG 90 HA ARG 90 -0.376 -9.760 -11.722 703 1HB ARG 90 HB2 ARG 90 -2.727 -10.462 -11.754 704 2HB ARG 90 HB1 ARG 90 -1.710 -11.573 -12.659 705 1HG ARG 90 HG2 ARG 90 -1.781 -12.624 -10.087 706 2HG ARG 90 HG1 ARG 90 -3.426 -12.068 -10.395 707 1HD ARG 90 HD2 ARG 90 -3.435 -13.327 -12.508 708 2HD ARG 90 HD1 ARG 90 -1.808 -13.908 -12.156 709 HE ARG 90 HE ARG 90 -3.667 -14.500 -10.065 710 1HH1 ARG 90 HH1 ARG 90 -2.485 -15.559 -13.173 711 2HH1 ARG 90 HH1 ARG 90 -2.920 -17.214 -12.912 712 1HH2 ARG 90 HH2 ARG 90 -4.238 -16.674 -9.722 713 2HH2 ARG 90 HH2 ARG 90 -3.916 -17.848 -10.954 714 H TYR 91 HN TYR 91 0.836 -10.101 -9.068 715 HA TYR 91 HA TYR 91 -0.920 -8.379 -7.602 716 1HB TYR 91 HB2 TYR 91 -1.759 -9.781 -6.004 717 2HB TYR 91 HB1 TYR 91 -1.585 -10.960 -7.294 718 HD1 TYR 91 HD1 TYR 91 -1.404 -10.932 -4.033 719 HD2 TYR 91 HD2 TYR 91 1.292 -11.544 -7.253 720 HE1 TYR 91 HE1 TYR 91 0.024 -12.292 -2.565 721 HE2 TYR 91 HE2 TYR 91 2.730 -12.905 -5.794 722 HH TYR 91 HH TYR 91 3.091 -12.976 -3.111 723 H PHE 92 HN PHE 92 0.027 -8.248 -5.171 724 HA PHE 92 HA PHE 92 2.855 -8.672 -4.979 725 1HB PHE 92 HB2 PHE 92 3.267 -6.150 -4.605 726 2HB PHE 92 HB1 PHE 92 3.163 -6.740 -6.260 727 HD1 PHE 92 HD1 PHE 92 1.240 -5.058 -3.583 728 HD2 PHE 92 HD2 PHE 92 1.576 -5.883 -7.743 729 HE1 PHE 92 HE1 PHE 92 -0.529 -3.414 -4.050 730 HE2 PHE 92 HE2 PHE 92 -0.195 -4.243 -8.216 731 HZ PHE 92 HZ PHE 92 -1.250 -3.006 -6.367 732 H VAL 93 HN VAL 93 3.727 -7.778 -2.906 733 HA VAL 93 HA VAL 93 1.597 -7.666 -0.869 734 HB VAL 93 HB VAL 93 3.136 -8.754 0.701 735 1HG1 VAL 93 HG1 VAL 93 1.791 -10.374 -0.142 736 2HG1 VAL 93 HG1 VAL 93 3.336 -10.977 -0.740 737 3HG1 VAL 93 HG1 VAL 93 2.271 -10.066 -1.811 738 1HG2 VAL 93 HG2 VAL 93 5.058 -9.911 -0.991 739 2HG2 VAL 93 HG2 VAL 93 5.324 -8.747 0.307 740 3HG2 VAL 93 HG2 VAL 93 5.067 -8.184 -1.345 741 H ILE 94 HN ILE 94 1.708 -6.108 0.691 742 HA ILE 94 HA ILE 94 4.097 -4.400 0.779 743 HB ILE 94 HB ILE 94 2.580 -3.208 -0.655 744 1HG1 ILE 94 HG1 ILE 94 3.814 -2.048 1.338 745 2HG1 ILE 94 HG1 ILE 94 2.628 -1.140 0.410 746 1HG2 ILE 94 HG2 ILE 94 0.576 -4.065 1.341 747 2HG2 ILE 94 HG2 ILE 94 0.451 -3.937 -0.413 748 3HG2 ILE 94 HG2 ILE 94 0.333 -2.490 0.588 749 1HD1 ILE 94 HD1 ILE 94 0.987 -1.970 2.276 750 2HD1 ILE 94 HD1 ILE 94 2.044 -0.587 2.548 751 3HD1 ILE 94 HD1 ILE 94 2.476 -2.167 3.196 752 H ARG 95 HN ARG 95 4.589 -3.595 2.789 753 HA ARG 95 HA ARG 95 2.682 -3.888 4.965 754 1HB ARG 95 HB2 ARG 95 5.358 -5.036 5.518 755 2HB ARG 95 HB1 ARG 95 3.815 -5.447 6.214 756 1HG ARG 95 HG2 ARG 95 3.633 -7.198 4.879 757 2HG ARG 95 HG1 ARG 95 3.813 -6.194 3.454 758 1HD ARG 95 HD2 ARG 95 5.529 -7.790 3.339 759 2HD ARG 95 HD1 ARG 95 6.299 -6.306 3.863 760 HE ARG 95 HE ARG 95 5.716 -7.578 6.185 761 1HH1 ARG 95 HH1 ARG 95 7.421 -8.464 3.276 762 2HH1 ARG 95 HH1 ARG 95 8.527 -9.519 4.091 763 1HH2 ARG 95 HH2 ARG 95 7.161 -8.953 7.268 764 2HH2 ARG 95 HH2 ARG 95 8.378 -9.798 6.371 765 H ILE 96 HN ILE 96 3.993 -3.240 7.132 766 HA ILE 96 HA ILE 96 5.817 -1.018 6.541 767 HB ILE 96 HB ILE 96 3.466 -0.672 8.406 768 1HG1 ILE 96 HG1 ILE 96 3.658 0.755 5.784 769 2HG1 ILE 96 HG1 ILE 96 3.047 -0.893 5.801 770 1HG2 ILE 96 HG2 ILE 96 5.120 0.817 9.077 771 2HG2 ILE 96 HG2 ILE 96 4.129 1.784 7.986 772 3HG2 ILE 96 HG2 ILE 96 5.660 1.112 7.425 773 1HD1 ILE 96 HD1 ILE 96 1.062 -0.201 6.468 774 2HD1 ILE 96 HD1 ILE 96 1.633 1.459 6.297 775 3HD1 ILE 96 HD1 ILE 96 1.767 0.636 7.851 776 H GLN 97 HN GLN 97 6.788 -0.110 8.604 777 HA GLN 97 HA GLN 97 7.056 -2.183 10.685 778 1HB GLN 97 HB2 GLN 97 8.964 -2.326 9.146 779 2HB GLN 97 HB1 GLN 97 9.308 -0.627 9.400 780 1HG GLN 97 HG2 GLN 97 10.802 -1.402 10.859 781 2HG GLN 97 HG1 GLN 97 9.419 -1.517 11.938 782 1HE2 GLN 97 HE2 GLN 97 11.750 -3.219 10.083 783 2HE2 GLN 97 HE2 GLN 97 11.342 -4.809 10.618 784 H ASP 98 HN ASP 98 7.819 -1.395 12.776 785 HA ASP 98 HA ASP 98 7.373 1.488 13.222 786 1HB ASP 98 HB2 ASP 98 5.469 -0.135 13.881 787 2HB ASP 98 HB1 ASP 98 6.538 -0.620 15.188 788 H GLY 99 HN GLY 99 9.618 1.816 13.316 789 1HA GLY 99 HA2 GLY 99 11.684 1.980 14.264 790 2HA GLY 99 HA1 GLY 99 10.808 1.895 15.781 791 H THR 100 HN THR 100 10.566 -0.845 13.710 792 HA THR 100 HA THR 100 11.529 -2.901 13.708 793 HB THR 100 HB THR 100 13.662 -3.314 14.517 794 HG1 THR 100 HG1 THR 100 13.420 -2.870 16.670 795 1HG2 THR 100 HG2 THR 100 14.692 -1.836 13.264 796 2HG2 THR 100 HG2 THR 100 14.593 -0.662 14.578 797 3HG2 THR 100 HG2 THR 100 13.311 -0.745 13.370 798 H GLY 101 HN GLY 101 9.297 -2.632 14.915 799 1HA GLY 101 HA2 GLY 101 9.385 -4.530 17.061 800 2HA GLY 101 HA1 GLY 101 8.965 -2.921 17.620 801 H ARG 102 HN ARG 102 7.496 -2.240 15.172 802 HA ARG 102 HA ARG 102 5.199 -4.069 15.396 803 1HB ARG 102 HB2 ARG 102 5.286 -1.448 16.383 804 2HB ARG 102 HB1 ARG 102 4.386 -1.336 14.878 805 1HG ARG 102 HG2 ARG 102 3.613 -3.533 16.679 806 2HG ARG 102 HG1 ARG 102 3.271 -1.895 17.241 807 1HD ARG 102 HD2 ARG 102 1.440 -1.939 15.978 808 2HD ARG 102 HD1 ARG 102 2.499 -1.896 14.569 809 HE ARG 102 HE ARG 102 2.047 -4.112 14.192 810 1HH1 ARG 102 HH1 ARG 102 0.923 -3.233 17.376 811 2HH1 ARG 102 HH1 ARG 102 0.109 -4.738 17.640 812 1HH2 ARG 102 HH2 ARG 102 0.976 -6.091 14.535 813 2HH2 ARG 102 HH2 ARG 102 0.140 -6.363 16.028 814 H SER 103 HN SER 103 5.093 -5.009 13.457 815 HA SER 103 HA SER 103 5.037 -3.272 11.094 816 1HB SER 103 HB2 SER 103 6.218 -5.324 9.928 817 2HB SER 103 HB1 SER 103 7.178 -4.109 10.772 818 HG SER 103 HG SER 103 7.094 -5.531 12.619 819 H ALA 104 HN ALA 104 3.344 -3.645 9.802 820 HA ALA 104 HA ALA 104 1.824 -6.142 10.241 821 1HB ALA 104 HB1 ALA 104 0.776 -3.884 10.840 822 2HB ALA 104 HB2 ALA 104 -0.172 -4.991 9.846 823 3HB ALA 104 HB3 ALA 104 0.656 -3.626 9.099 824 H PHE 105 HN PHE 105 1.314 -7.426 8.529 825 HA PHE 105 HA PHE 105 2.332 -6.584 5.901 826 1HB PHE 105 HB2 PHE 105 3.522 -8.516 6.582 827 2HB PHE 105 HB1 PHE 105 2.068 -9.299 7.181 828 HD1 PHE 105 HD1 PHE 105 0.292 -9.962 5.421 829 HD2 PHE 105 HD2 PHE 105 4.323 -9.009 4.452 830 HE1 PHE 105 HE1 PHE 105 0.059 -11.161 3.276 831 HE2 PHE 105 HE2 PHE 105 4.091 -10.198 2.308 832 HZ PHE 105 HZ PHE 105 1.962 -11.269 1.720 833 H ILE 106 HN ILE 106 1.019 -6.485 4.171 834 HA ILE 106 HA ILE 106 -1.614 -7.741 4.329 835 HB ILE 106 HB ILE 106 -1.298 -5.039 4.846 836 1HG1 ILE 106 HG1 ILE 106 -3.884 -5.118 4.197 837 2HG1 ILE 106 HG1 ILE 106 -3.551 -6.846 4.136 838 1HG2 ILE 106 HG2 ILE 106 -0.890 -4.928 2.265 839 2HG2 ILE 106 HG2 ILE 106 -1.904 -3.729 3.063 840 3HG2 ILE 106 HG2 ILE 106 -2.646 -5.068 2.187 841 1HD1 ILE 106 HD1 ILE 106 -4.102 -5.264 6.390 842 2HD1 ILE 106 HD1 ILE 106 -2.416 -5.767 6.518 843 3HD1 ILE 106 HD1 ILE 106 -3.685 -6.977 6.333 844 H GLY 107 HN GLY 107 -2.747 -7.526 2.110 845 1HA GLY 107 HA2 GLY 107 -0.699 -7.673 -0.016 846 2HA GLY 107 HA1 GLY 107 -1.968 -8.879 0.145 847 H ILE 108 HN ILE 108 -1.207 -6.733 -1.951 848 HA ILE 108 HA ILE 108 -3.975 -5.926 -2.418 849 HB ILE 108 HB ILE 108 -1.786 -3.905 -2.799 850 1HG1 ILE 108 HG1 ILE 108 -3.625 -4.045 -0.404 851 2HG1 ILE 108 HG1 ILE 108 -1.972 -4.648 -0.381 852 1HG2 ILE 108 HG2 ILE 108 -4.000 -2.488 -2.375 853 2HG2 ILE 108 HG2 ILE 108 -4.735 -3.962 -2.999 854 3HG2 ILE 108 HG2 ILE 108 -3.551 -3.091 -3.972 855 1HD1 ILE 108 HD1 ILE 108 -1.645 -2.579 0.474 856 2HD1 ILE 108 HD1 ILE 108 -2.979 -1.867 -0.433 857 3HD1 ILE 108 HD1 ILE 108 -1.449 -2.215 -1.240 858 H GLY 109 HN GLY 109 -4.520 -5.530 -4.590 859 1HA GLY 109 HA2 GLY 109 -2.666 -5.519 -6.727 860 2HA GLY 109 HA1 GLY 109 -3.277 -7.150 -6.495 861 H PHE 110 HN PHE 110 -4.074 -6.802 -8.733 862 HA PHE 110 HA PHE 110 -6.852 -6.119 -8.692 863 1HB PHE 110 HB2 PHE 110 -5.689 -3.881 -8.973 864 2HB PHE 110 HB1 PHE 110 -5.126 -4.463 -10.534 865 HD1 PHE 110 HD1 PHE 110 -8.384 -4.475 -8.701 866 HD2 PHE 110 HD2 PHE 110 -6.286 -3.580 -12.294 867 HE1 PHE 110 HE1 PHE 110 -10.483 -3.708 -9.732 868 HE2 PHE 110 HE2 PHE 110 -8.383 -2.816 -13.333 869 HZ PHE 110 HZ PHE 110 -10.484 -2.877 -12.050 870 H THR 111 HN THR 111 -7.819 -6.346 -10.948 871 HA THR 111 HA THR 111 -7.061 -8.845 -12.024 872 HB THR 111 HB THR 111 -8.725 -8.248 -13.842 873 HG1 THR 111 HG1 THR 111 -9.297 -6.002 -12.231 874 1HG2 THR 111 HG2 THR 111 -10.031 -7.683 -11.234 875 2HG2 THR 111 HG2 THR 111 -9.263 -9.251 -11.490 876 3HG2 THR 111 HG2 THR 111 -10.556 -8.715 -12.564 877 H ASP 112 HN ASP 112 -7.328 -5.847 -13.919 878 HA ASP 112 HA ASP 112 -5.250 -6.783 -15.706 879 1HB ASP 112 HB2 ASP 112 -6.987 -4.309 -15.728 880 2HB ASP 112 HB1 ASP 112 -5.783 -4.670 -16.961 881 H ARG 113 HN ARG 113 -3.778 -4.863 -16.531 882 HA ARG 113 HA ARG 113 -2.089 -4.190 -14.297 883 1HB ARG 113 HB2 ARG 113 -1.864 -4.178 -17.235 884 2HB ARG 113 HB1 ARG 113 -0.945 -2.920 -16.420 885 1HG ARG 113 HG2 ARG 113 0.570 -4.369 -15.641 886 2HG ARG 113 HG1 ARG 113 -0.655 -5.563 -15.207 887 1HD ARG 113 HD2 ARG 113 -0.376 -6.705 -17.113 888 2HD ARG 113 HD1 ARG 113 -0.319 -5.238 -18.088 889 HE ARG 113 HE ARG 113 2.085 -5.213 -16.902 890 1HH1 ARG 113 HH1 ARG 113 0.366 -7.725 -18.616 891 2HH1 ARG 113 HH1 ARG 113 1.810 -8.503 -19.172 892 1HH2 ARG 113 HH2 ARG 113 3.982 -6.244 -17.628 893 2HH2 ARG 113 HH2 ARG 113 3.859 -7.664 -18.612 894 H GLY 114 HN GLY 114 -4.831 -2.809 -14.964 895 1HA GLY 114 HA2 GLY 114 -4.196 -0.077 -15.426 896 2HA GLY 114 HA1 GLY 114 -5.731 -0.701 -14.843 897 H ASP 115 HN ASP 115 -5.608 -1.513 -12.482 898 HA ASP 115 HA ASP 115 -5.133 0.626 -10.798 899 1HB ASP 115 HB2 ASP 115 -5.646 -2.257 -10.442 900 2HB ASP 115 HB1 ASP 115 -4.927 -1.437 -9.063 901 H ALA 116 HN ALA 116 -3.017 -2.057 -11.651 902 HA ALA 116 HA ALA 116 -1.003 -1.747 -9.793 903 1HB ALA 116 HB1 ALA 116 -0.021 -3.342 -10.994 904 2HB ALA 116 HB2 ALA 116 0.109 -2.291 -12.404 905 3HB ALA 116 HB3 ALA 116 -1.367 -3.216 -12.127 906 H PHE 117 HN PHE 117 -0.988 -0.345 -13.071 907 HA PHE 117 HA PHE 117 1.226 1.263 -12.845 908 1HB PHE 117 HB2 PHE 117 0.220 1.071 -14.978 909 2HB PHE 117 HB1 PHE 117 -1.342 1.620 -14.381 910 HD1 PHE 117 HD1 PHE 117 -1.625 4.012 -13.738 911 HD2 PHE 117 HD2 PHE 117 1.816 2.593 -15.798 912 HE1 PHE 117 HE1 PHE 117 -1.097 6.308 -14.422 913 HE2 PHE 117 HE2 PHE 117 2.354 4.893 -16.490 914 HZ PHE 117 HZ PHE 117 0.896 6.757 -15.802 915 H ASP 118 HN ASP 118 -2.116 2.045 -11.926 916 HA ASP 118 HA ASP 118 -1.567 4.685 -11.077 917 1HB ASP 118 HB2 ASP 118 -3.843 3.100 -11.402 918 2HB ASP 118 HB1 ASP 118 -3.811 3.484 -9.685 919 H PHE 119 HN PHE 119 -1.940 1.649 -9.209 920 HA PHE 119 HA PHE 119 -1.484 2.819 -6.692 921 1HB PHE 119 HB2 PHE 119 -1.923 0.741 -5.965 922 2HB PHE 119 HB1 PHE 119 -2.041 0.241 -7.647 923 HD1 PHE 119 HD1 PHE 119 -0.009 -0.677 -8.772 924 HD2 PHE 119 HD2 PHE 119 -0.167 -0.022 -4.581 925 HE1 PHE 119 HE1 PHE 119 1.905 -2.190 -8.480 926 HE2 PHE 119 HE2 PHE 119 1.751 -1.544 -4.271 927 HZ PHE 119 HZ PHE 119 2.787 -2.625 -6.227 928 H ASN 120 HN ASN 120 0.704 1.585 -9.138 929 HA ASN 120 HA ASN 120 3.052 1.638 -7.555 930 1HB ASN 120 HB2 ASN 120 2.336 1.034 -10.267 931 2HB ASN 120 HB1 ASN 120 3.758 2.073 -10.260 932 1HD2 ASN 120 HD2 ASN 120 4.952 1.244 -7.904 933 2HD2 ASN 120 HD2 ASN 120 5.484 -0.388 -8.090 934 H VAL 121 HN VAL 121 2.140 3.839 -10.227 935 HA VAL 121 HA VAL 121 4.049 5.758 -9.919 936 HB VAL 121 HB VAL 121 2.412 7.430 -10.784 937 1HG1 VAL 121 HG1 VAL 121 1.814 5.228 -12.570 938 2HG1 VAL 121 HG1 VAL 121 3.499 5.220 -12.051 939 3HG1 VAL 121 HG1 VAL 121 2.823 6.651 -12.828 940 1HG2 VAL 121 HG2 VAL 121 0.337 6.972 -9.930 941 2HG2 VAL 121 HG2 VAL 121 0.516 5.230 -10.130 942 3HG2 VAL 121 HG2 VAL 121 0.189 6.248 -11.531 943 H SER 122 HN SER 122 1.086 5.438 -8.019 944 HA SER 122 HA SER 122 1.312 7.867 -6.610 945 1HB SER 122 HB2 SER 122 -0.124 5.282 -6.095 946 2HB SER 122 HB1 SER 122 -0.079 6.528 -4.848 947 HG SER 122 HG SER 122 -1.718 6.396 -6.869 948 H LEU 123 HN LEU 123 2.500 4.604 -5.903 949 HA LEU 123 HA LEU 123 3.488 5.041 -3.344 950 1HB LEU 123 HB2 LEU 123 3.747 3.044 -5.388 951 2HB LEU 123 HB1 LEU 123 5.320 3.343 -4.673 952 HG LEU 123 HG LEU 123 4.371 2.889 -2.436 953 1HD1 LEU 123 HD1 LEU 123 2.025 3.540 -3.126 954 2HD1 LEU 123 HD1 LEU 123 2.172 2.096 -2.125 955 3HD1 LEU 123 HD1 LEU 123 1.901 1.941 -3.861 956 1HD2 LEU 123 HD2 LEU 123 4.225 0.502 -2.685 957 2HD2 LEU 123 HD2 LEU 123 5.444 1.121 -3.797 958 3HD2 LEU 123 HD2 LEU 123 3.851 0.664 -4.401 959 H GLN 124 HN GLN 124 4.834 5.846 -6.467 960 HA GLN 124 HA GLN 124 7.401 6.621 -5.441 961 1HB GLN 124 HB2 GLN 124 6.990 5.774 -7.765 962 2HB GLN 124 HB1 GLN 124 6.168 7.288 -8.115 963 1HG GLN 124 HG2 GLN 124 8.125 8.091 -8.750 964 2HG GLN 124 HG1 GLN 124 8.605 8.067 -7.053 965 1HE2 GLN 124 HE2 GLN 124 8.731 5.289 -6.701 966 2HE2 GLN 124 HE2 GLN 124 10.069 4.684 -7.613 967 H ASP 125 HN ASP 125 4.330 8.147 -5.816 968 HA ASP 125 HA ASP 125 5.184 10.834 -6.021 969 1HB ASP 125 HB2 ASP 125 2.667 9.414 -5.598 970 2HB ASP 125 HB1 ASP 125 2.739 10.947 -4.735 971 H HIS 126 HN HIS 126 4.022 8.987 -3.183 972 HA HIS 126 HA HIS 126 4.582 11.050 -1.334 973 1HB HIS 126 HB2 HIS 126 4.200 9.391 0.393 974 2HB HIS 126 HB1 HIS 126 3.004 9.198 -0.885 975 HD2 HIS 126 HD2 HIS 126 3.011 6.739 -2.146 976 HE1 HIS 126 HE1 HIS 126 6.308 5.116 -0.028 977 HE2 HIS 126 HE2 HIS 126 4.521 4.679 -1.747 978 H PHE 127 HN PHE 127 6.402 8.094 -2.172 979 HA PHE 127 HA PHE 127 8.545 8.643 -0.407 980 1HB PHE 127 HB2 PHE 127 7.814 6.473 -1.850 981 2HB PHE 127 HB1 PHE 127 9.149 7.061 -2.831 982 HD1 PHE 127 HD1 PHE 127 11.339 7.631 -1.513 983 HD2 PHE 127 HD2 PHE 127 8.264 5.061 -0.080 984 HE1 PHE 127 HE1 PHE 127 12.942 6.576 0.027 985 HE2 PHE 127 HE2 PHE 127 9.863 4.001 1.463 986 HZ PHE 127 HZ PHE 127 12.204 4.759 1.519 987 H LYS 128 HN LYS 128 8.962 8.487 -3.954 988 HA LYS 128 HA LYS 128 11.187 10.185 -3.952 989 1HB LYS 128 HB2 LYS 128 9.293 9.649 -6.240 990 2HB LYS 128 HB1 LYS 128 10.918 10.304 -6.375 991 1HG LYS 128 HG2 LYS 128 10.215 7.566 -5.344 992 2HG LYS 128 HG1 LYS 128 10.842 7.938 -6.950 993 1HD LYS 128 HD2 LYS 128 12.944 8.521 -6.129 994 2HD LYS 128 HD1 LYS 128 12.341 8.765 -4.490 995 1HE LYS 128 HE2 LYS 128 12.652 6.621 -3.949 996 2HE LYS 128 HE1 LYS 128 11.912 6.053 -5.447 997 1HZ LYS 128 HZ1 LYS 128 14.536 5.857 -4.828 998 2HZ LYS 128 HZ2 LYS 128 14.511 7.227 -5.820 999 3HZ LYS 128 HZ3 LYS 128 13.896 5.759 -6.392 1000 H TRP 129 HN TRP 129 11.409 12.268 -3.778 1001 HA TRP 129 HA TRP 129 9.076 13.991 -3.708 1002 1HB TRP 129 HB2 TRP 129 10.919 15.723 -3.082 1003 2HB TRP 129 HB1 TRP 129 10.476 14.479 -1.920 1004 HD1 TRP 129 HD1 TRP 129 12.868 13.783 -4.863 1005 HE1 TRP 129 HE1 TRP 129 15.181 13.201 -3.909 1006 HE3 TRP 129 HE3 TRP 129 11.986 14.763 0.086 1007 HZ2 TRP 129 HZ2 TRP 129 16.465 13.160 -1.408 1008 HZ3 TRP 129 HZ3 TRP 129 13.821 14.424 1.690 1009 HH2 TRP 129 HH2 TRP 129 16.014 13.639 0.956 1010 H VAL 130 HN VAL 130 8.489 15.400 -5.248 1011 HA VAL 130 HA VAL 130 10.436 16.254 -7.252 1012 HB VAL 130 HB VAL 130 7.753 15.096 -8.034 1013 1HG1 VAL 130 HG1 VAL 130 9.979 15.880 -9.890 1014 2HG1 VAL 130 HG1 VAL 130 8.744 17.031 -9.384 1015 3HG1 VAL 130 HG1 VAL 130 8.283 15.574 -10.263 1016 1HG2 VAL 130 HG2 VAL 130 9.770 13.678 -9.323 1017 2HG2 VAL 130 HG2 VAL 130 8.751 13.108 -8.002 1018 3HG2 VAL 130 HG2 VAL 130 10.323 13.828 -7.657 1019 H LYS 131 HN LYS 131 6.920 16.429 -6.652 1020 HA LYS 131 HA LYS 131 7.113 19.308 -6.277 1021 1HB LYS 131 HB2 LYS 131 6.543 18.315 -8.793 1022 2HB LYS 131 HB1 LYS 131 4.948 18.636 -8.127 1023 1HG LYS 131 HG2 LYS 131 5.556 20.939 -7.700 1024 2HG LYS 131 HG1 LYS 131 7.197 20.633 -8.273 1025 1HD LYS 131 HD2 LYS 131 5.472 19.738 -10.307 1026 2HD LYS 131 HD1 LYS 131 4.837 21.294 -9.774 1027 1HE LYS 131 HE2 LYS 131 7.698 21.421 -10.004 1028 2HE LYS 131 HE1 LYS 131 6.996 20.815 -11.504 1029 1HZ LYS 131 HZ1 LYS 131 7.217 23.287 -11.337 1030 2HZ LYS 131 HZ2 LYS 131 6.023 23.259 -10.139 1031 3HZ LYS 131 HZ3 LYS 131 5.660 22.734 -11.705 1032 H GLN 132 HN GLN 132 4.477 19.985 -6.315 1033 HA GLN 132 HA GLN 132 2.975 18.057 -4.747 1034 1HB GLN 132 HB2 GLN 132 3.588 20.787 -3.602 1035 2HB GLN 132 HB1 GLN 132 2.644 19.513 -2.845 1036 1HG GLN 132 HG2 GLN 132 4.911 18.172 -3.148 1037 2HG GLN 132 HG1 GLN 132 5.580 19.802 -3.113 1038 1HE2 GLN 132 HE2 GLN 132 3.882 17.353 -1.335 1039 2HE2 GLN 132 HE2 GLN 132 4.071 18.064 0.229 1040 H GLU 133 HN GLU 133 1.155 18.043 -5.919 1041 HA GLU 133 HA GLU 133 -0.384 20.490 -6.119 1042 1HB GLU 133 HB2 GLU 133 1.167 19.742 -8.295 1043 2HB GLU 133 HB1 GLU 133 -0.428 19.115 -8.690 1044 1HG GLU 133 HG2 GLU 133 -0.885 21.687 -7.732 1045 2HG GLU 133 HG1 GLU 133 0.553 21.823 -8.742
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